A0A077Z1W8_TRITR Loading...

Epoxide hydrolase

AlphaFold DB , UniProt , Accession A0A077Z1W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 465 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
1M44.5Very low45.8Very low179 Ų179106.1 Ų106.188%0.88256%0.564SS**  0-57.80-152.6153.971.500112L3 I4 I5M1-L3 PolarHBondContact O-N 3.45Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 WeakPolarHBondContact O-CG1 3.28Å; M1-I5 PolarHBondContact O-N 3.48Å
2N40.1Very low46.1Very low120 Ų12099.6 Ų99.664%0.64254%0.541SS*.Hα-helixtrans-60.6-34.2179.9-71.2-7.1000115.3N6N2-N6 WeakPolarHBondContact O-CB 3.41Å; N2-N6 PolarHBondContact O-N 3.2Å; N2-N6 PolarHBondContact O-ND2 3.08Å
3L41Very low46.4Very low145 Ų14596.2 Ų96.276%0.75954%0.535SS*.Hα-helixtrans-67.2-44.1176.1-101.2139.1000112.8M1 I5 N6 S7M1-L3 PolarHBondContact O-N 3.45Å; L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 3.33Å; L3-N6 PolarHBondContact O-N 2.73Å; L3-S7 WeakPolarHBondContact O-CB 3.47Å; L3-S7 PolarHBondContact O-N 3.02Å; L3-S7 PolarHBondContact O-OG 2.89Å
4I43.3Very low46.6Very low131 Ų13193.6 Ų93.667%0.67253%0.533SS*.Hα-helixtrans-65.4-40.3177.2-64.2170.6000110.5M1 A8M1-I4 PolarHBondContact O-N 3.23Å; I4-A8 VanDerWaalsContact O-CB 3.26Å; I4-A8 WeakPolarHBondContact O-CB 3.39Å; I4-A8 PolarHBondContact O-N 2.77Å
5I48.3Very low46.9Very low79 Ų7990.8 Ų90.841%0.40552%0.518SS..Hα-helixtrans-64.8-45.7176.9-67.5167.6000110.5M1 L3 A8 I9M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 WeakPolarHBondContact O-CG1 3.28Å; M1-I5 PolarHBondContact O-N 3.48Å; L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 3.33Å; I5-A8 PolarHBondContact O-N 2.79Å; I5-I9 HydrophobicContact CG2-CD1 3.63Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.49Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.31Å
6N41.8Very low47Very low86 Ų8691.6 Ų91.646%0.4652%0.519SS..Hα-helixtrans-66.3-40.6178.7-74.1-11.5000112.3N2 L3 I9 H10N2-N6 WeakPolarHBondContact O-CB 3.41Å; N2-N6 PolarHBondContact O-N 3.2Å; N2-N6 PolarHBondContact O-ND2 3.08Å; L3-N6 PolarHBondContact O-N 2.73Å; N6-I9 PolarHBondContact O-N 2.61Å; N6-H10 PolarHBondContact O-CD2 3.48Å; N6-H10 PolarHBondContact O-N 2.95Å
7S48.4Very low47.3Very low62 Ų6288.9 Ų88.943%0.43451%0.511SS..Hα-helixtrans-63-42.2173.4-59.10000111.9L3 H10 I11L3-S7 WeakPolarHBondContact O-CB 3.47Å; L3-S7 PolarHBondContact O-N 3.02Å; L3-S7 PolarHBondContact O-OG 2.89Å; S7-H10 PolarHBondContact O-N 3.08Å; S7-I11 WeakPolarHBondContact O-CB 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.5Å; S7-I11 VanDerWaalsContact O-CG1 3.23Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 2.72Å
8A45.2Very low47.5Very low48 Ų4887.2 Ų87.240%0.39751%0.509SS..Hα-helixtrans-66.1-37.7176.800000112.4I4 I5 G12I4-A8 VanDerWaalsContact O-CB 3.26Å; I4-A8 WeakPolarHBondContact O-CB 3.39Å; I4-A8 PolarHBondContact O-N 2.77Å; I5-A8 PolarHBondContact O-N 2.79Å; A8-G12 PolarHBondContact O-N 2.74Å
9I50.8Low47.5Very low101 Ų10185.4 Ų85.452%0.51850%0.497SS..Hα-helixtrans-67-44.2175.7-70.4166.7000110.9I5 N6 G12 A13I5-I9 HydrophobicContact CG2-CD1 3.63Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.49Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.31Å; N6-I9 PolarHBondContact O-N 2.61Å; I9-G12 PolarHBondContact O-N 2.82Å; I9-A13 WeakPolarHBondContact O-CB 3.31Å; I9-A13 PolarHBondContact O-N 2.75Å
10H46.6Very low47.6Very low134 Ų13488.2 Ų88.262%0.6251%0.509SS*.Hα-helixtrans-68-38.3178.8-73.9-53.1000112.9N6 S7 A14N6-H10 PolarHBondContact O-CD2 3.48Å; N6-H10 PolarHBondContact O-N 2.95Å; S7-H10 PolarHBondContact O-N 3.08Å; H10-A14 WeakPolarHBondContact O-CB 3.41Å; H10-A14 PolarHBondContact O-N 2.86Å
11I54Low47.6Very low82 Ų8290.8 Ų90.842%0.42152%0.52SS..Hα-helixtrans-67-43.4172.6-66.7166.4000110.2S7 A13 A14 V15 F299S7-I11 WeakPolarHBondContact O-CB 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.5Å; S7-I11 VanDerWaalsContact O-CG1 3.23Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 2.72Å; I11-A13 VanDerWaalsContact C-N 3.33Å; I11-A13 PolarHBondContact O-N 2.77Å; I11-A14 PolarHBondContact O-N 3.45Å; I11-V15 HydrophobicContact CG2-CG2 4.32Å; I11-V15 WeakPolarHBondContact O-CB 3.33Å; I11-V15 VanDerWaalsContact O-CG2 3.28Å; I11-V15 WeakPolarHBondContact O-CG2 3.21Å; I11-V15 PolarHBondContact O-N 3.09Å; I11-F299 HydrophobicContact CG2-CE1 4.12Å
12G49.4Very low48Very low28 Ų2884.5 Ų84.529%0.28949%0.494SS..Hα-helixtrans-58.5-42.7176.200000112.7A8 I9 L16A8-G12 PolarHBondContact O-N 2.74Å; I9-G12 PolarHBondContact O-N 2.82Å; G12-L16 WeakPolarHBondContact O-CB 3.39Å; G12-L16 PolarHBondContact O-N 2.89Å
13A49.5Very low48.5Very low56 Ų5687.8 Ų87.846%0.46351%0.505SS..Hα-helixtrans-69.1-39.2176.600000113I9 I11 L16 A17I9-A13 WeakPolarHBondContact O-CB 3.31Å; I9-A13 PolarHBondContact O-N 2.75Å; I11-A13 VanDerWaalsContact C-N 3.33Å; I11-A13 PolarHBondContact O-N 2.77Å; A13-L16 PolarHBondContact O-N 3.26Å; A13-A17 WeakPolarHBondContact O-CB 3.49Å; A13-A17 PolarHBondContact O-N 2.74Å
14A49Very low49.3Very low60 Ų6085.1 Ų85.150%0.49649%0.494SS..Hα-helixtrans-67-38.9175.900000112H10 I11 A17 A18H10-A14 WeakPolarHBondContact O-CB 3.41Å; H10-A14 PolarHBondContact O-N 2.86Å; I11-A14 PolarHBondContact O-N 3.45Å; A14-A17 PolarHBondContact O-N 2.86Å; A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.4Å
15V51.3Low50.2Low51 Ų5181.7 Ų81.731%0.30948%0.477SS..Hα-helixtrans-65.9-42.4172.41730000110.1I11 A17 A18 I19 F299I11-V15 HydrophobicContact CG2-CG2 4.32Å; I11-V15 WeakPolarHBondContact O-CB 3.33Å; I11-V15 VanDerWaalsContact O-CG2 3.28Å; I11-V15 WeakPolarHBondContact O-CG2 3.21Å; I11-V15 PolarHBondContact O-N 3.09Å; V15-A17 PolarHBondContact O-N 2.96Å; V15-A18 PolarHBondContact O-N 3.21Å; V15-I19 HydrophobicContact CG1-CD1 3.67Å; V15-I19 HydrophobicContact CG1-CG1 4.29Å; V15-I19 WeakPolarHBondContact O-CB 3.43Å; V15-I19 VanDerWaalsContact O-CD1 3.31Å; V15-I19 WeakPolarHBondContact O-CD1 3.39Å; V15-I19 WeakPolarHBondContact O-CG1 3.49Å; V15-I19 PolarHBondContact O-N 3.33Å; V15-F299 HydrophobicContact CG2-CE1 4.13Å; V15-F299 HydrophobicContact CG2-CZ 4.2Å
16L49.5Very low50.8Low104 Ų10483.4 Ų83.455%0.54549%0.486SS..Hα-helixtrans-63.2-36.4174.4-114.4117.8000113.7G12 A13 I19 L20G12-L16 WeakPolarHBondContact O-CB 3.39Å; G12-L16 PolarHBondContact O-N 2.89Å; A13-L16 PolarHBondContact O-N 3.26Å; L16-I19 HydrophobicContact CG-CD1 4.45Å; L16-I19 WeakPolarHBondContact O-CB 3.3Å; L16-I19 PolarHBondContact O-N 3.14Å; L16-L20 PolarHBondContact O-N 3.44Å
17A51Low51.7Low46 Ų4685 Ų8538%0.3849%0.494SS..Hα-helixtrans-69.5-40.7174.800000111.5A13 A14 V15 I19 L20 L21A13-A17 WeakPolarHBondContact O-CB 3.49Å; A13-A17 PolarHBondContact O-N 2.74Å; A14-A17 PolarHBondContact O-N 2.86Å; V15-A17 PolarHBondContact O-N 2.96Å; A17-I19 VanDerWaalsContact C-N 3.31Å; A17-I19 PolarHBondContact O-N 2.86Å; A17-L20 PolarHBondContact O-N 3.41Å; A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 WeakPolarHBondContact O-CD1 3.27Å; A17-L21 VanDerWaalsContact O-CG 3.27Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 2.93Å
18A51.9Low52.4Low58 Ų5882.4 Ų82.448%0.47948%0.478SS..Hα-helixtrans-64.5-35.7171.300000112.1A14 V15 L21 S22A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.4Å; V15-A18 PolarHBondContact O-N 3.21Å; A18-L21 PolarHBondContact O-N 2.96Å; A18-S22 PolarHBondContact O-N 3.38Å
19I47.8Very low53.1Low52 Ų5282.7 Ų82.727%0.26747%0.472SS..Hα-helixtrans-61.3-44.6173.3-74.8160.4000111.3V15 L16 A17 S22 W270V15-I19 HydrophobicContact CG1-CD1 3.67Å; V15-I19 HydrophobicContact CG1-CG1 4.29Å; V15-I19 WeakPolarHBondContact O-CB 3.43Å; V15-I19 VanDerWaalsContact O-CD1 3.31Å; V15-I19 WeakPolarHBondContact O-CD1 3.39Å; V15-I19 WeakPolarHBondContact O-CG1 3.49Å; V15-I19 PolarHBondContact O-N 3.33Å; L16-I19 HydrophobicContact CG-CD1 4.45Å; L16-I19 WeakPolarHBondContact O-CB 3.3Å; L16-I19 PolarHBondContact O-N 3.14Å; A17-I19 VanDerWaalsContact C-N 3.31Å; A17-I19 PolarHBondContact O-N 2.86Å; I19-S22 PolarHBondContact O-OG 2.87Å; I19-S22 VanDerWaalsContact O-OG 3.06Å; I19-W270 HydrophobicContact CB-CH2 4.46Å; I19-W270 HydrophobicContact CD1-CH2 4.32Å; I19-W270 HydrophobicContact CD1-CZ3 4.36Å; I19-W270 HydrophobicContact CG1-CH2 3.51Å; I19-W270 HydrophobicContact CG1-CZ2 4.48Å; I19-W270 HydrophobicContact CG1-CZ3 3.94Å
20L48Very low53.8Low141 Ų14183.5 Ų83.574%0.73848%0.477SS*.Hα-helixtrans-73.8-27.1179.6-79.6163000112.9L16 A17L16-L20 PolarHBondContact O-N 3.44Å; A17-L20 PolarHBondContact O-N 3.41Å
21L47.5Very low54.8Low143 Ų14383.7 Ų83.775%0.74948%0.476SS*.Hα-helixtrans-88.7-19.1-178.7-72.2168.6000113.9A17 A18 H23A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 WeakPolarHBondContact O-CD1 3.27Å; A17-L21 VanDerWaalsContact O-CG 3.27Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 2.93Å; A18-L21 PolarHBondContact O-N 2.96Å; L21-H23 PolarHBondContact O-N 2.86Å; L21-H23 VanDerWaalsContact O-N 3.14Å
22S53Low55.7Low47 Ų4783.4 Ų83.433%0.32948%0.476SS..SBendtrans-69.6111.4170.858.90000109.2A18 I19 V24A18-S22 PolarHBondContact O-N 3.38Å; I19-S22 PolarHBondContact O-OG 2.87Å; I19-S22 VanDerWaalsContact O-OG 3.06Å; S22-V24 PolarHBondContact O-N 2.88Å
23H52.3Low56.9Low189 Ų18985.6 Ų85.688%0.87548%0.475SS*.  trans-51.7107.4166.2-86.945.1000107.7L21 D25L21-H23 PolarHBondContact O-N 2.86Å; L21-H23 VanDerWaalsContact O-N 3.14Å; H23-D25 PolarHBondContact O-N 3.31Å
24V56.1Low58.1Low89 Ų8991.1 Ų91.154%0.53949%0.489SS..  trans-60.2112.1172.6176.40000105.7S22 I26 L29S22-V24 PolarHBondContact O-N 2.88Å; V24-I26 WeakPolarHBondContact O-CG1 3.48Å; V24-I26 PolarHBondContact O-N 3.28Å; V24-L29 HydrophobicContact CG1-CD1 3.65Å; V24-L29 HydrophobicContact CG1-CG 4.4Å
25D63.2Low59.9Low59 Ų5991.7 Ų91.732%0.31648%0.483SS..  trans-64.485.5174.7178.83.5000108.3H23 L27 G28 L29 R33H23-D25 PolarHBondContact O-N 3.31Å; D25-L27 PolarHBondContact O-N 3.29Å; D25-L27 PolarHBondContact OD1-N 3.09Å; D25-G28 WeakPolarHBondContact O-CA 3.44Å; D25-G28 PolarHBondContact O-N 3.47Å; D25-G28 PolarHBondContact OD1-N 2.96Å; D25-L29 PolarHBondContact O-N 2.77Å; D25-R33 IonicContact OD2-CZ 2.68Å; D25-R33 IonicContact OD2-NH2 3.92Å; D25-R33 PolarHBondContact OD2-NH2 3.19Å
26I59.7Low61.4Low116 Ų11690.2 Ų90.260%0.59547%0.474SS*.Hα-helixtrans-57.9-34.5-176.6-64.4176.9000110.2V24 L29 L30V24-I26 WeakPolarHBondContact O-CG1 3.48Å; V24-I26 PolarHBondContact O-N 3.28Å; I26-L29 WeakPolarHBondContact O-CB 3.36Å; I26-L29 PolarHBondContact O-N 3.45Å; I26-L30 PolarHBondContact O-N 2.7Å
27L62Low63Low118 Ų11893.3 Ų93.362%0.61849%0.486SS*.Hα-helixtrans-66.5-41.4176-69.3173.4000111.2D25 L29 L30 F31D25-L27 PolarHBondContact O-N 3.29Å; D25-L27 PolarHBondContact OD1-N 3.09Å; L27-L29 PolarHBondContact O-N 3.05Å; L27-L30 PolarHBondContact O-N 3.48Å; L27-L30 VanDerWaalsContact O-N 3.11Å; L27-F31 HydrophobicContact CD2-CD2 4.37Å; L27-F31 HydrophobicContact CD2-CE2 4.44Å; L27-F31 PolarHBondContact O-N 3.39Å
28G62Low64.6Low9 Ų993.8 Ų93.89%0.09348%0.481CS..Hα-helixtrans-67.1-14.7173.600000115.3D25D25-G28 WeakPolarHBondContact O-CA 3.44Å; D25-G28 PolarHBondContact O-N 3.47Å; D25-G28 PolarHBondContact OD1-N 2.96Å
29L61.6Low66.3Low53 Ų5396.3 Ų96.328%0.27749%0.491SS..Hα-helixtrans-74.7-37.9168.4-76.8166.4000111.7V24 D25 I26 L27 P267 K268 V271V24-L29 HydrophobicContact CG1-CD1 3.65Å; V24-L29 HydrophobicContact CG1-CG 4.4Å; D25-L29 PolarHBondContact O-N 2.77Å; I26-L29 WeakPolarHBondContact O-CB 3.36Å; I26-L29 PolarHBondContact O-N 3.45Å; L27-L29 PolarHBondContact O-N 3.05Å; L29-P267 HydrophobicContact CB-CB 4.34Å; L29-P267 HydrophobicContact CD2-CB 3.35Å; L29-P267 WeakPolarHBondContact CD2-O 3.37Å; L29-P267 HydrophobicContact CG-CB 3.49Å; L29-P267 VanDerWaalsContact CG-CB 3.49Å; L29-K268 VanDerWaalsContact O-CE 3.28Å; L29-K268 WeakPolarHBondContact O-CE 3.45Å; L29-V271 HydrophobicContact CD2-CG2 3.92Å
30L64.5Low68.4Low118 Ų11898.8 Ų98.862%0.61851%0.505SS*.Hα-helixtrans-92.3-37-171.5-64.5174.8000112.6I26 L27I26-L30 PolarHBondContact O-N 2.7Å; L27-L30 PolarHBondContact O-N 3.48Å; L27-L30 VanDerWaalsContact O-N 3.11Å
31F68.2Low70.5Confident138 Ų13893.1 Ų93.161%0.60548%0.48SS*.SBendtrans-123.7138.6-172-57.4-75.3000111.3L27L27-F31 HydrophobicContact CD2-CD2 4.37Å; L27-F31 HydrophobicContact CD2-CE2 4.44Å; L27-F31 PolarHBondContact O-N 3.39Å
32D72.1Confident72.8Confident77 Ų7788 Ų8841%0.41245%0.451SS..PPolyproline II helixtrans-70.2138.2173.1-71.3-13.8000109.2K34 K268 P399D32-K34 PolarHBondContact O-N 3.28Å; D32-K268 IonicContact OD1-NZ 3.29Å; D32-K268 PolarHBondContact OD1-NZ 2.89Å; D32-P399 HydrophobicContact CB-CG 4.06Å
33R74.5Confident75Confident74 Ų7486.4 Ų86.428%0.27944%0.438SS..PPolyproline II helixtrans-62.8135.5179.9-69.3-169.5175.9-166.7-7.7110.6D25 T394D25-R33 IonicContact OD2-CZ 2.68Å; D25-R33 IonicContact OD2-NH2 3.92Å; D25-R33 PolarHBondContact OD2-NH2 3.19Å; R33-T394 HydrophobicContact CB-CG2 4.27Å
34K75.9Confident77.1Confident171 Ų17177.4 Ų77.474%0.74340%0.397SS*.PPolyproline II helixtrans-68.7137.6175.3-165.7-177.9176.9-168.50109.4D32 T394D32-K34 PolarHBondContact O-N 3.28Å; K34-T394 WeakPolarHBondContact O-CG2 3.44Å
35I85.1Confident78.9Confident73 Ų7379.8 Ų79.837%0.37440%0.402SS..PPolyproline II helixtrans-64.4133.4174.5-66.2161.8000108.6Q245 L246 L395I35-Q245 VanDerWaalsContact CD1-O 3.23Å; I35-Q245 WeakPolarHBondContact CD1-O 3.28Å; I35-L246 HydrophobicContact CG2-CD2 3.46Å; I35-L246 VanDerWaalsContact CG2-CD2 3.46Å; I35-L395 HydrophobicContact CG2-CD2 4.32Å
36P84.3Confident80.4Confident19 Ų1979.2 Ų79.212%0.12341%0.411CS..PPolyproline II helixtrans-63.3150.9179.526.8-35.2000111.6L210 D391 L395P36-L210 HydrophobicContact CG-CD1 3.97Å; P36-D391 HydrophobicContact CB-CB 4.25Å; P36-D391 WeakPolarHBondContact CB-OD1 3.49Å; P36-D391 HydrophobicContact CG-CB 4.14Å; P36-L395 HydrophobicContact CG-CD2 4.29Å; P36-L395 HydrophobicContact CG-CG 4.18Å
37E81.7Confident82Confident169 Ų16980.7 Ų80.779%0.7942%0.419SS*.PPolyproline II helixtrans-70.1138.7171.3-74.9-175.1-176.700110.3
38I84.7Confident83.7Confident56 Ų5682.3 Ų82.329%0.28742%0.418SS..PPolyproline II helixtrans-102118.7-175-50.2172.4000108.7R214 L246 F247I38-R214 HydrophobicContact CG2-CB 4.36Å; I38-R214 VanDerWaalsContact CG2-CD 3.44Å; I38-R214 HydrophobicContact CG2-CG 4.15Å; I38-L246 HydrophobicContact CD1-CB 3.66Å; I38-L246 HydrophobicContact CD1-CD1 3.92Å; I38-L246 HydrophobicContact CD1-CD2 3.57Å; I38-L246 HydrophobicContact CD1-CG 3.86Å; I38-L246 HydrophobicContact CG1-CD1 4.43Å; I38-L246 HydrophobicContact CG1-CD2 3.75Å; I38-L246 HydrophobicContact CG1-CG 4.48Å; I38-F247 HydrophobicContact CD1-CE1 3.69Å; I38-F247 HydrophobicContact CD1-CE2 4.33Å; I38-F247 HydrophobicContact CD1-CZ 3.53Å
39V88.5Confident85.2Confident112 Ų11285.2 Ų85.268%0.67944%0.435SS*.  trans-116.1136.7170.6-172.80000109.4G41 R214V39-G41 PolarHBondContact O-N 3.41Å; V39-R214 PolarHBondContact O-NH1 3.17Å; V39-R214 PolarHBondContact O-NH2 3.24Å
40D91.2Very high86.8Confident104 Ų10488.9 Ų88.956%0.55646%0.455SS*.  trans-55135.6175.8-76.2-1.9000111.9R214 K218D40-R214 WeakPolarHBondContact OD1-CD 3.46Å; D40-K218 WeakPolarHBondContact OD1-CE 3.26Å; D40-K218 IonicContact OD1-NZ 2.74Å; D40-K218 PolarHBondContact OD1-NZ 3.26Å; D40-K218 IonicContact OD2-NZ 2.61Å; D40-K218 PolarHBondContact OD2-NZ 3.48Å
41G92.7Very high88.2Confident22 Ų2285.2 Ų85.223%0.22744%0.435CS..  trans-97.6173.917300000111.8V39 E128V39-G41 PolarHBondContact O-N 3.41Å; G41-E128 WeakPolarHBondContact CA-OE2 3.48Å; G41-E128 PolarHBondContact N-OE2 3.17Å; G41-E128 WeakPolarHBondContact O-CB 3.5Å; G41-E128 WeakPolarHBondContact O-CG 3.28Å
42Y96.4Very high89.5Confident34 Ų3482.6 Ų82.613%0.13343%0.428CS..  trans-138.4115.3163.6-179.7-87.3000108.1G44 N47 Y48 T49 E128 K204Y42-G44 WeakPolarHBondContact CE1-O 3.29Å; Y42-N47 WeakPolarHBondContact CE1-O 3.47Å; Y42-N47 PolarHBondContact OH-O 2.98Å; Y42-N47 VanDerWaalsContact OH-O 3.08Å; Y42-Y48 AromaticContact CD2-CD2 3.43Å; Y42-Y48 HydrophobicContact CD2-CD2 3.43Å; Y42-Y48 VanDerWaalsContact CD2-CD2 3.43Å; Y42-Y48 AromaticContact CD2-CE2 3.96Å; Y42-Y48 HydrophobicContact CD2-CE2 3.96Å; Y42-Y48 HydrophobicContact CD2-CG 4.24Å; Y42-Y48 HydrophobicContact CE2-CD2 4.15Å; Y42-Y48 AromaticContact CG-CD2 3.83Å; Y42-Y48 HydrophobicContact CG-CD2 3.83Å; Y42-T49 WeakPolarHBondContact CE2-O 3.42Å; Y42-T49 PolarHBondContact OH-OG1 3.5Å; Y42-T49 VanDerWaalsContact OH-OG1 3.08Å; Y42-E128 WeakPolarHBondContact CA-O 3.35Å; Y42-K204 WeakPolarHBondContact O-CD 3.49Å
43F97.4Very high90.6Very high14 Ų1485 Ų856%0.06144%0.436CS..  trans-1130.3-173.4-56.9-69.8000113.2E128 L130 P202 R203 K204 C207 A211 I215F43-E128 HydrophobicContact CD2-CB 4.21Å; F43-E128 WeakPolarHBondContact CE2-OE2 3.18Å; F43-E128 PolarHBondContact N-O 2.88Å; F43-L130 HydrophobicContact CB-CD1 3.8Å; F43-L130 HydrophobicContact CB-CD2 3.88Å; F43-L130 HydrophobicContact CB-CG 3.83Å; F43-L130 HydrophobicContact CD2-CD1 4.38Å; F43-L130 HydrophobicContact CG-CD1 4.47Å; F43-P202 HydrophobicContact CB-CB 4.2Å; F43-R203 PolarHBondContact O-N 3.3Å; F43-K204 HydrophobicContact CD1-CB 4.48Å; F43-C207 HydrophobicContact CD1-CB 3.56Å; F43-C207 HydrophobicContact CD2-CB 4.28Å; F43-C207 HydrophobicContact CE1-CB 3.71Å; F43-C207 HydrophobicContact CE2-CB 4.41Å; F43-C207 HydrophobicContact CG-CB 3.85Å; F43-C207 HydrophobicContact CZ-CB 4.13Å; F43-A211 HydrophobicContact CE2-CB 3.77Å; F43-A211 HydrophobicContact CZ-CB 3.68Å; F43-I215 HydrophobicContact CD2-CD1 4.3Å; F43-I215 HydrophobicContact CE2-CD1 4.4Å
44G96.5Very high91.8Very high1 Ų185 Ų851%0.0145%0.445CS..SBendtrans-65.2169.8171.700000113.3Y42 G129 K204Y42-G44 WeakPolarHBondContact CE1-O 3.29Å; G44-G129 WeakPolarHBondContact CA-O 3.15Å; G44-K204 VanDerWaalsContact O-CE 3.27Å; G44-K204 WeakPolarHBondContact O-CE 3.34Å
45E94.6Very high92.9Very high138 Ų13879.7 Ų79.765%0.64542%0.424SS*.SBendtrans-72.6140.2177.9-163.9162.3-171.200112R203E45-R203 HydrophobicContact CB-CB 4.47Å; E45-R203 HydrophobicContact CB-CG 3.99Å; E45-R203 HydrophobicContact CG-CG 4.43Å
46G94.7Very high93.5Very high48 Ų4880.7 Ų80.750%0.49543%0.427SS..SBendtrans72.5-145.817400000114.8K204G46-K204 VanDerWaalsContact O-CE 3.31Å; G46-K204 WeakPolarHBondContact O-CE 3.41Å; G46-K204 PolarHBondContact O-NZ 2.8Å
47N94.4Very high94.2Very high146 Ų14685.1 Ų85.178%0.78146%0.456SS*.SBendtrans-76.4157.5-177.5-70-24.8000111.4Y42 T49Y42-N47 WeakPolarHBondContact CE1-O 3.47Å; Y42-N47 PolarHBondContact OH-O 2.98Å; Y42-N47 VanDerWaalsContact OH-O 3.08Å; N47-T49 PolarHBondContact O-N 2.99Å
48Y96.1Very high95Very high152 Ų15280.1 Ų80.160%0.59643%0.432SS*.  trans-55.2137.6174.8178.1-91.6000111.3Y42 D50Y42-Y48 AromaticContact CD2-CD2 3.43Å; Y42-Y48 HydrophobicContact CD2-CD2 3.43Å; Y42-Y48 VanDerWaalsContact CD2-CD2 3.43Å; Y42-Y48 AromaticContact CD2-CE2 3.96Å; Y42-Y48 HydrophobicContact CD2-CE2 3.96Å; Y42-Y48 HydrophobicContact CD2-CG 4.24Å; Y42-Y48 HydrophobicContact CE2-CD2 4.15Å; Y42-Y48 AromaticContact CG-CD2 3.83Å; Y42-Y48 HydrophobicContact CG-CD2 3.83Å; Y48-D50 PolarHBondContact OH-OD1 2.94Å
49T93.4Very high95.7Very high71 Ų7183.9 Ų83.944%0.43645%0.446SS..  trans-138142.1171.8570000107.9Y42 N47Y42-T49 WeakPolarHBondContact CE2-O 3.42Å; Y42-T49 PolarHBondContact OH-OG1 3.5Å; Y42-T49 VanDerWaalsContact OH-OG1 3.08Å; N47-T49 PolarHBondContact O-N 2.99Å
50D95Very high96.1Very high130 Ų13078.6 Ų78.670%0.69541%0.414SS*.  trans-58.8142.6172.8-63.8-53.3000110.9Y48Y48-D50 PolarHBondContact OH-OD1 2.94Å
51D95.7Very high96.5Very high40 Ų4080.3 Ų80.321%0.21442%0.418CS..  trans-73.5133.1177.1-71.4-34.6000110.2E53 K126 I127 E128 G129D51-E53 PolarHBondContact O-N 3.49Å; D51-K126 HydrophobicContact CB-CB 3.93Å; D51-I127 WeakPolarHBondContact OD2-CA 3.17Å; D51-E128 PolarHBondContact OD2-N 2.84Å; D51-G129 WeakPolarHBondContact OD1-CA 3.39Å; D51-G129 PolarHBondContact OD1-N 3.45Å
52N94.4Very high96.8Very high84 Ų8479.9 Ų79.945%0.44941%0.411SS..  trans-71.4109.6160.9178.82.2000108.3T54N52-T54 PolarHBondContact O-N 3.11Å; N52-T54 VanDerWaalsContact OD1-CB 3.28Å; N52-T54 WeakPolarHBondContact OD1-CB 3.41Å; N52-T54 PolarHBondContact OD1-N 3.46Å; N52-T54 PolarHBondContact OD1-OG1 2.91Å
53E96.3Very high96.8Very high126 Ų12681.8 Ų81.859%0.58943%0.427SS*.  trans-76.11.1-177-56.4-153.5132.300114.3D51 I55 R222D51-E53 PolarHBondContact O-N 3.49Å; E53-I55 PolarHBondContact O-N 2.89Å; E53-R222 WeakPolarHBondContact O-CD 3.29Å; E53-R222 IonicContact OE1-CZ 3.49Å; E53-R222 IonicContact OE1-NE 3.63Å; E53-R222 IonicContact OE1-NH2 2.77Å; E53-R222 PolarHBondContact OE1-NH2 3.49Å
54T98.2Very high96.9Very high76 Ų7685.8 Ų85.847%0.46645%0.45SS..  trans-59.4139.5176.8-53.80000110.5N52 E56 T125N52-T54 PolarHBondContact O-N 3.11Å; N52-T54 VanDerWaalsContact OD1-CB 3.28Å; N52-T54 WeakPolarHBondContact OD1-CB 3.41Å; N52-T54 PolarHBondContact OD1-N 3.46Å; N52-T54 PolarHBondContact OD1-OG1 2.91Å; T54-E56 HydrophobicContact CG2-CG 3.94Å; T54-T125 WeakPolarHBondContact O-CB 3.47Å; T54-T125 PolarHBondContact O-OG1 3.09Å
55I98.7Very high97Very high58 Ų5891.2 Ų91.230%0.29748%0.477SS..  trans-98.5110.6170.4-62.9159.9000107E53 Y123 F134 R222 L223E53-I55 PolarHBondContact O-N 2.89Å; I55-Y123 HydrophobicContact CG2-CD1 3.77Å; I55-Y123 HydrophobicContact CG2-CG 4.09Å; I55-F134 HydrophobicContact CG2-CZ 3.84Å; I55-R222 HydrophobicContact CD1-CG 4.25Å; I55-R222 HydrophobicContact CG1-CG 4.47Å; I55-L223 HydrophobicContact CD1-CD2 3.7Å
56E98.5Very high97.2Very high95 Ų9586.6 Ų86.644%0.44446%0.458SS..EExtended strand (participates in β ladder)trans-102.4133.4-174.6-62.9179.1175.700109.9T54 F58 Y123 V124T54-E56 HydrophobicContact CG2-CG 3.94Å; E56-F58 PolarHBondContact O-N 2.73Å; E56-Y123 CarbonylContact O-C 3.53Å; E56-Y123 WeakPolarHBondContact O-CA 3.46Å; E56-V124 HydrophobicContact CB-CG2 4.06Å; E56-V124 PolarHBondContact N-O 3.23Å; E56-V124 PolarHBondContact O-N 2.68Å
57P98.7Very high97.4Very high111 Ų11185.9 Ų85.972%0.72144%0.443SS*.EExtended strand (participates in β ladder)trans-57.1138.3168.8-22.233.3000110.7Y123P57-Y123 HydrophobicContact CG-CE1 4.47Å
58F98.7Very high97.6Very high64 Ų6484.2 Ų84.228%0.28143%0.43SS..EExtended strand (participates in β ladder)trans-119.6146.1178-179.6-100.3000109.8E56 I60 H122 V124 H133 F198E56-F58 PolarHBondContact O-N 2.73Å; F58-I60 HydrophobicContact CD1-CG1 4.45Å; F58-I60 HydrophobicContact CE1-CG1 3.8Å; F58-H122 HydrophobicContact CB-CB 4Å; F58-H122 HydrophobicContact CD1-CB 3.87Å; F58-H122 HydrophobicContact CG-CB 4.45Å; F58-H122 PolarHBondContact N-O 2.97Å; F58-H122 WeakPolarHBondContact O-CB 3.48Å; F58-V124 HydrophobicContact CB-CG1 4.07Å; F58-V124 HydrophobicContact CD2-CG1 3.88Å; F58-V124 HydrophobicContact CG-CG1 4.03Å; F58-H133 AromaticContact CD1-CD2 3.83Å; F58-F198 HydrophobicContact CE1-CB 4.06Å; F58-F198 AromaticContact CE1-CD1 3.85Å; F58-F198 HydrophobicContact CE1-CD1 3.85Å; F58-F198 HydrophobicContact CE1-CD2 4.35Å; F58-F198 HydrophobicContact CE1-CE1 4.41Å; F58-F198 AromaticContact CE1-CG 3.82Å; F58-F198 HydrophobicContact CE1-CG 3.82Å; F58-F198 HydrophobicContact CZ-CB 4.11Å; F58-F198 AromaticContact CZ-CD1 3.64Å; F58-F198 HydrophobicContact CZ-CD1 3.64Å; F58-F198 HydrophobicContact CZ-CE1 4.31Å; F58-F198 AromaticContact CZ-CG 3.99Å; F58-F198 HydrophobicContact CZ-CG 3.99Å
59K98.7Very high97.7Very high136 Ų13680.2 Ų80.259%0.59142%0.419SS*.  trans-131.6131.7173-172.7-176.4177-167.10108.2E61K59-E61 PolarHBondContact O-N 2.91Å
60I98.8Very high97.9Very high1 Ų177.2 Ų77.21%0.00540%0.401CS..  trans-73114172.9-59.3166.9000107.1F58 I62 W110 E114 L117 N118 F160 F198F58-I60 HydrophobicContact CD1-CG1 4.45Å; F58-I60 HydrophobicContact CE1-CG1 3.8Å; I60-I62 HydrophobicContact CG2-CD1 4.29Å; I60-I62 HydrophobicContact CG2-CG1 4.31Å; I60-W110 HydrophobicContact CG2-CZ2 4.26Å; I60-E114 HydrophobicContact CG2-CG 4.15Å; I60-L117 HydrophobicContact CD1-CB 3.71Å; I60-L117 HydrophobicContact CD1-CD1 4.24Å; I60-N118 PolarHBondContact N-OD1 3.32Å; I60-N118 PolarHBondContact O-ND2 3.13Å; I60-F160 HydrophobicContact CD1-CZ 4.11Å; I60-F198 HydrophobicContact CB-CZ 4.19Å; I60-F198 HydrophobicContact CD1-CD2 4.32Å; I60-F198 HydrophobicContact CD1-CE2 3.54Å; I60-F198 HydrophobicContact CD1-CZ 3.84Å; I60-F198 HydrophobicContact CG1-CD2 4.29Å; I60-F198 HydrophobicContact CG1-CE1 4.16Å; I60-F198 HydrophobicContact CG1-CE2 3.69Å; I60-F198 HydrophobicContact CG1-CZ 3.63Å; I60-F198 HydrophobicContact CG2-CE1 4.01Å; I60-F198 HydrophobicContact CG2-CE2 4.38Å; I60-F198 HydrophobicContact CG2-CZ 3.55Å
61E98.3Very high98.1Very high139 Ų13978.6 Ų78.665%0.6540%0.396SS*.  trans-140.499.5179.1-175.5166.5-16700108.9K59K59-E61 PolarHBondContact O-N 2.91Å
62I98.5Very high98.2Very high13 Ų1380.1 Ų80.17%0.06741%0.407CS..  trans-90.8124.7-178.6-54.5-50.2000109.5I60 V66 L67 W110 R111 E114 F198 V372I60-I62 HydrophobicContact CG2-CD1 4.29Å; I60-I62 HydrophobicContact CG2-CG1 4.31Å; I62-V66 HydrophobicContact CG2-CB 3.88Å; I62-V66 HydrophobicContact CG2-CG1 3.98Å; I62-V66 HydrophobicContact CG2-CG2 4.47Å; I62-L67 HydrophobicContact CG2-CD2 3.99Å; I62-L67 HydrophobicContact CG2-CG 4.31Å; I62-W110 HydrophobicContact CB-CZ2 4.46Å; I62-W110 HydrophobicContact CD1-CZ2 4.48Å; I62-W110 HydrophobicContact CG1-CZ2 3.47Å; I62-W110 VanDerWaalsContact CG1-CZ2 3.47Å; I62-R111 VanDerWaalsContact O-CZ 3.31Å; I62-R111 PolarHBondContact O-NH1 3.41Å; I62-R111 PolarHBondContact O-NH2 2.99Å; I62-E114 PolarHBondContact N-OE1 2.84Å; I62-F198 HydrophobicContact CD1-CE1 4.44Å; I62-V372 HydrophobicContact CD1-CB 3.84Å; I62-V372 HydrophobicContact CD1-CG2 3.63Å; I62-V372 HydrophobicContact CG1-CB 4Å; I62-V372 HydrophobicContact CG1-CG1 4.26Å; I62-V372 HydrophobicContact CG1-CG2 3.94Å; I62-V372 HydrophobicContact CG2-CB 4.11Å; I62-V372 HydrophobicContact CG2-CG1 4.01Å
63P98.4Very high98.4Very high74 Ų7480 Ų8048%0.48140%0.4SS..  trans-61141.2177-2535.1000112.5I65 V66P63-I65 HydrophobicContact CB-CG2 3.9Å; P63-I65 PolarHBondContact O-N 2.94Å; P63-I65 VanDerWaalsContact O-N 3.15Å; P63-V66 HydrophobicContact CB-CG2 4.38Å; P63-V66 WeakPolarHBondContact O-CB 3.19Å; P63-V66 PolarHBondContact O-N 2.92Å
64D98.5Very high98.5Very high99 Ų9974.1 Ų74.153%0.52937%0.372SS..Hα-helixtrans-53.8-37.2179-73.4-41.8000112.5V66 L67 E68 R111D64-V66 PolarHBondContact O-N 2.96Å; D64-V66 VanDerWaalsContact O-N 3.14Å; D64-L67 CarbonylContact O-C 3.54Å; D64-L67 WeakPolarHBondContact O-CA 3.5Å; D64-L67 WeakPolarHBondContact O-CB 3.23Å; D64-L67 PolarHBondContact O-N 2.85Å; D64-E68 WeakPolarHBondContact O-CG 3.17Å; D64-E68 PolarHBondContact O-N 3.36Å; D64-R111 IonicContact OD1-CZ 2.91Å; D64-R111 IonicContact OD1-NE 3.25Å; D64-R111 IonicContact OD1-NH2 2.69Å; D64-R111 PolarHBondContact OD1-NH2 3.37Å
65I98.5Very high98.6Very high115 Ų11576.1 Ų76.159%0.5938%0.38SS*.Hα-helixtrans-57.8-30.5178.3-170.760.2000113.4P63 D69P63-I65 HydrophobicContact CB-CG2 3.9Å; P63-I65 PolarHBondContact O-N 2.94Å; P63-I65 VanDerWaalsContact O-N 3.15Å; I65-D69 WeakPolarHBondContact O-CB 3.45Å; I65-D69 PolarHBondContact O-N 3.45Å
66V98.4Very high98.5Very high41 Ų4182.7 Ų82.725%0.24840%0.401CS..Hα-helixtrans-71.8-37.2175.91780000110.7I62 P63 D64 L70 V372I62-V66 HydrophobicContact CG2-CB 3.88Å; I62-V66 HydrophobicContact CG2-CG1 3.98Å; I62-V66 HydrophobicContact CG2-CG2 4.47Å; P63-V66 HydrophobicContact CB-CG2 4.38Å; P63-V66 WeakPolarHBondContact O-CB 3.19Å; P63-V66 PolarHBondContact O-N 2.92Å; D64-V66 PolarHBondContact O-N 2.96Å; D64-V66 VanDerWaalsContact O-N 3.14Å; V66-L70 WeakPolarHBondContact O-CB 3.35Å; V66-L70 PolarHBondContact O-N 2.89Å; V66-V372 HydrophobicContact CG1-CG1 4.49Å
67L98.6Very high98.5Very high32 Ų3279.1 Ų79.117%0.16839%0.387CS..Hα-helixtrans-74.3-36178.2-53.4179.3000111.3I62 D64 L70 R71 W110 M368I62-L67 HydrophobicContact CG2-CD2 3.99Å; I62-L67 HydrophobicContact CG2-CG 4.31Å; D64-L67 CarbonylContact O-C 3.54Å; D64-L67 WeakPolarHBondContact O-CA 3.5Å; D64-L67 WeakPolarHBondContact O-CB 3.23Å; D64-L67 PolarHBondContact O-N 2.85Å; L67-L70 WeakPolarHBondContact O-CB 3.15Å; L67-L70 PolarHBondContact O-N 3.05Å; L67-R71 WeakPolarHBondContact O-CB 3.49Å; L67-R71 PolarHBondContact O-N 2.98Å; L67-W110 HydrophobicContact CD1-CB 4.46Å; L67-W110 HydrophobicContact CD1-CG 4.26Å; L67-W110 HydrophobicContact CD2-CB 4.25Å; L67-W110 HydrophobicContact CD2-CG 3.81Å; L67-M368 HydrophobicContact CD2-CE 3.73Å
68E98.6Very high98.4Very high112 Ų11285.5 Ų85.552%0.52340%0.397SS..Hα-helixtrans-63.2-47.7172.5-70.8173-179.800111.4D64 L70 R71 V72D64-E68 WeakPolarHBondContact O-CG 3.17Å; D64-E68 PolarHBondContact O-N 3.36Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 2.98Å; E68-R71 PolarHBondContact O-N 3.22Å; E68-V72 WeakPolarHBondContact O-CG2 3.49Å; E68-V72 PolarHBondContact O-N 3.38Å
69D98.6Very high98.3Very high68 Ų6883.8 Ų83.836%0.36439%0.39SS..Hα-helixtrans-58.3-45.9174.3176.472.7000111.5I65 R71 V72 R73I65-D69 WeakPolarHBondContact O-CB 3.45Å; I65-D69 PolarHBondContact O-N 3.45Å; D69-R71 PolarHBondContact O-N 2.93Å; D69-V72 PolarHBondContact O-N 2.84Å; D69-R73 WeakPolarHBondContact O-CG 3.43Å; D69-R73 PolarHBondContact O-N 3.35Å; D69-R73 IonicContact OD1-CZ 3.74Å; D69-R73 IonicContact OD1-NE 3.83Å; D69-R73 PolarHBondContact OD1-NE 3.29Å; D69-R73 VanDerWaalsContact OD1-NE 3.16Å; D69-R73 IonicContact OD1-NH2 3.22Å; D69-R73 WeakPolarHBondContact OD2-CD 3.42Å; D69-R73 IonicContact OD2-CZ 3.59Å; D69-R73 IonicContact OD2-NE 2.66Å; D69-R73 PolarHBondContact OD2-NE 2.77Å; D69-R73 IonicContact OD2-NH2 2.73Å
70L98.6Very high98.1Very high8 Ų882.8 Ų82.84%0.04239%0.386CS..Hα-helixtrans-55.2-49.6174.517364.9000111.6V66 L67 E68 V72 R73 L74 W104 P327 M368 W371V66-L70 WeakPolarHBondContact O-CB 3.35Å; V66-L70 PolarHBondContact O-N 2.89Å; L67-L70 WeakPolarHBondContact O-CB 3.15Å; L67-L70 PolarHBondContact O-N 3.05Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 2.98Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.12Å; L70-R73 PolarHBondContact O-N 3.23Å; L70-L74 HydrophobicContact CD1-CD1 3.77Å; L70-L74 HydrophobicContact CD1-CG 3.88Å; L70-L74 HydrophobicContact CD2-CD1 4.44Å; L70-L74 HydrophobicContact CG-CD1 3.81Å; L70-L74 HydrophobicContact CG-CG 4.31Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 3.49Å; L70-W104 HydrophobicContact CD1-CH2 4.18Å; L70-W104 HydrophobicContact CD1-CZ2 3.89Å; L70-W104 HydrophobicContact CD2-CZ2 3.94Å; L70-W104 HydrophobicContact CG-CZ2 4.46Å; L70-P327 HydrophobicContact CD1-CB 3.43Å; L70-P327 VanDerWaalsContact CD1-CB 3.43Å; L70-P327 HydrophobicContact CD1-CG 3.92Å; L70-M368 HydrophobicContact CD2-CE 3.8Å; L70-M368 HydrophobicContact CD2-SD 3.31Å; L70-M368 WeakPolarHBondContact CD2-SD 3.32Å; L70-W371 HydrophobicContact CD1-CD2 4.17Å; L70-W371 HydrophobicContact CD1-CG 4.25Å; L70-W371 HydrophobicContact CD1-CZ2 4.3Å
71R98.6Very high97.9Very high158 Ų15889.5 Ų89.560%0.59642%0.418SS*.Hα-helixtrans-60.1-42.7-179.2-172.4-178174.692.20.8111.3L67 E68 D69 N75 L105L67-R71 WeakPolarHBondContact O-CB 3.49Å; L67-R71 PolarHBondContact O-N 2.98Å; E68-R71 PolarHBondContact O-N 3.22Å; D69-R71 PolarHBondContact O-N 2.93Å; R71-N75 VanDerWaalsContact O-CB 3.32Å; R71-N75 WeakPolarHBondContact O-CB 3.33Å; R71-N75 PolarHBondContact O-N 3.19Å; R71-L105 HydrophobicContact CG-CD2 3.76Å; R71-L105 PolarHBondContact NH1-O 3.36Å; R71-L105 VanDerWaalsContact NH1-O 3.13Å
72V98.6Very high97.7Very high72 Ų7284.3 Ų84.344%0.43640%0.396SS..Hα-helixtrans-62.1-45.5176.7171.70000111.2E68 D69 L70 N75 R76E68-V72 WeakPolarHBondContact O-CG2 3.49Å; E68-V72 PolarHBondContact O-N 3.38Å; D69-V72 PolarHBondContact O-N 2.84Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.12Å; V72-N75 PolarHBondContact O-N 3.38Å; V72-R76 WeakPolarHBondContact O-CG 3.43Å; V72-R76 PolarHBondContact O-N 3.41Å
73R98.6Very high97.5Very high81 Ų8189 Ų8931%0.30642%0.42SS..Hα-helixtrans-65.6-44.8179-70.5172.7-178.4-88.3-5.9112.1D69 L70 N75 R76 S77 D325 P327D69-R73 WeakPolarHBondContact O-CG 3.43Å; D69-R73 PolarHBondContact O-N 3.35Å; D69-R73 IonicContact OD1-CZ 3.74Å; D69-R73 IonicContact OD1-NE 3.83Å; D69-R73 PolarHBondContact OD1-NE 3.29Å; D69-R73 VanDerWaalsContact OD1-NE 3.16Å; D69-R73 IonicContact OD1-NH2 3.22Å; D69-R73 WeakPolarHBondContact OD2-CD 3.42Å; D69-R73 IonicContact OD2-CZ 3.59Å; D69-R73 IonicContact OD2-NE 2.66Å; D69-R73 PolarHBondContact OD2-NE 2.77Å; D69-R73 IonicContact OD2-NH2 2.73Å; L70-R73 PolarHBondContact O-N 3.23Å; R73-N75 PolarHBondContact O-N 3.41Å; R73-R76 CarbonylContact O-C 3.54Å; R73-R76 PolarHBondContact O-N 2.86Å; R73-S77 PolarHBondContact O-N 3.27Å; R73-S77 VanDerWaalsContact O-N 3.12Å; R73-S77 PolarHBondContact O-OG 3.11Å; R73-D325 IonicContact CZ-OD1 3.74Å; R73-D325 PolarHBondContact NH1-O 3.15Å; R73-D325 IonicContact NH1-OD1 3.31Å; R73-D325 PolarHBondContact NH1-OD1 3.14Å; R73-D325 IonicContact NH2-OD1 3.04Å; R73-P327 HydrophobicContact CB-CG 3.76Å
74L98.6Very high97.3Very high3 Ų393.1 Ų93.12%0.01643%0.433CS..Hα-helixtrans-59.6-47.2176.4-76.8173.9000111.3L70 R76 S77 R101 W104 L105 P327L70-L74 HydrophobicContact CD1-CD1 3.77Å; L70-L74 HydrophobicContact CD1-CG 3.88Å; L70-L74 HydrophobicContact CD2-CD1 4.44Å; L70-L74 HydrophobicContact CG-CD1 3.81Å; L70-L74 HydrophobicContact CG-CG 4.31Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 3.49Å; L74-R76 PolarHBondContact O-N 3.47Å; L74-S77 WeakPolarHBondContact CA-OG 3.23Å; L74-S77 WeakPolarHBondContact O-CB 3.4Å; L74-S77 PolarHBondContact O-N 3.39Å; L74-S77 PolarHBondContact O-OG 2.96Å; L74-R101 VanDerWaalsContact O-CD 3.32Å; L74-R101 WeakPolarHBondContact O-CD 3.46Å; L74-W104 HydrophobicContact CD1-CB 4.39Å; L74-W104 HydrophobicContact CD1-CD2 3.54Å; L74-W104 HydrophobicContact CD1-CE3 3.87Å; L74-W104 HydrophobicContact CD1-CG 3.78Å; L74-W104 HydrophobicContact CD1-CZ2 4.33Å; L74-W104 HydrophobicContact CD1-CZ3 4.39Å; L74-W104 HydrophobicContact CD2-CD2 4.18Å; L74-W104 HydrophobicContact CD2-CE3 3.59Å; L74-W104 HydrophobicContact CD2-CH2 4.39Å; L74-W104 HydrophobicContact CD2-CZ3 3.72Å; L74-W104 HydrophobicContact CG-CE3 4.39Å; L74-L105 HydrophobicContact CB-CD1 4.38Å; L74-L105 HydrophobicContact CB-CD2 3.79Å; L74-L105 HydrophobicContact CB-CG 4.13Å; L74-L105 HydrophobicContact CD1-CD2 4.3Å; L74-P327 HydrophobicContact CD2-CB 4Å; L74-P327 HydrophobicContact CD2-CG 3.87Å; L74-P327 HydrophobicContact CG-CB 4.34Å; L74-P327 HydrophobicContact CG-CG 4.01Å
75N98.2Very high96.9Very high119 Ų11999.2 Ų99.264%0.63645%0.449SS*.Hα-helixtrans-63.1-25.1179.2-163.538.3000113R71 V72 R73 L105R71-N75 VanDerWaalsContact O-CB 3.32Å; R71-N75 WeakPolarHBondContact O-CB 3.33Å; R71-N75 PolarHBondContact O-N 3.19Å; V72-N75 PolarHBondContact O-N 3.38Å; R73-N75 PolarHBondContact O-N 3.41Å; N75-L105 HydrophobicContact CB-CD1 4.47Å
76R97.9Very high96.6Very high195 Ų19594.6 Ų94.674%0.73643%0.426SS*.THydrogen-bonded Turntrans-99.612.4177.2-67179.9173.4170.3-0.2113.6V72 R73 L74 R78V72-R76 WeakPolarHBondContact O-CG 3.43Å; V72-R76 PolarHBondContact O-N 3.41Å; R73-R76 CarbonylContact O-C 3.54Å; R73-R76 PolarHBondContact O-N 2.86Å; L74-R76 PolarHBondContact O-N 3.47Å; R76-R78 PolarHBondContact O-N 3.14Å
77S97.5Very high96.3Very high20 Ų2096.1 Ų96.114%0.1443%0.431CS..  trans-59126.7-179.4-66.70000111.4R73 L74 I79R73-S77 PolarHBondContact O-N 3.27Å; R73-S77 VanDerWaalsContact O-N 3.12Å; R73-S77 PolarHBondContact O-OG 3.11Å; L74-S77 WeakPolarHBondContact CA-OG 3.23Å; L74-S77 WeakPolarHBondContact O-CB 3.4Å; L74-S77 PolarHBondContact O-N 3.39Å; L74-S77 PolarHBondContact O-OG 2.96Å; S77-I79 PolarHBondContact O-N 2.83Å
78R97Very high96.1Very high245 Ų24594.8 Ų94.893%0.92542%0.424SS*.  trans-90.592.2170.9-65.3178.663.3-172.8-1.1109R76R76-R78 PolarHBondContact O-N 3.14Å
79I97Very high95.8Very high29 Ų2995.4 Ų95.415%0.14943%0.427CS..PPolyproline II helixtrans-91.2134.3178.1-57174.3000108.8S77 G94 L97 R98 R101 I328S77-I79 PolarHBondContact O-N 2.83Å; I79-G94 WeakPolarHBondContact CG2-O 3.34Å; I79-L97 HydrophobicContact CD1-CB 4.13Å; I79-L97 HydrophobicContact CG2-CB 4.01Å; I79-R98 HydrophobicContact CB-CG 4.39Å; I79-R98 HydrophobicContact CD1-CB 4.47Å; I79-R98 HydrophobicContact CD1-CG 3.9Å; I79-R98 HydrophobicContact CG2-CG 4.06Å; I79-R101 HydrophobicContact CD1-CB 4.32Å; I79-I328 HydrophobicContact CD1-CG1 4.25Å; I79-I328 HydrophobicContact CG1-CG1 4.29Å
80F94.4Very high95.6Very high114 Ų114100.7 Ų100.750%0.544%0.443SS..PPolyproline II helixtrans-79.1158.6-17957.4-90.3000111.9V92 L97 R98F80-V92 WeakPolarHBondContact CZ-O 3.48Å; F80-L97 HydrophobicContact CE1-CD1 3.97Å; F80-L97 HydrophobicContact CZ-CD1 4.32Å; F80-R98 PolarHBondContact O-NH1 2.87Å
81E95.4Very high95.4Very high143 Ų143101.4 Ų101.467%0.66845%0.452SS*.PPolyproline II helixtrans-79.9128.1167.7-64.5-49.3132.200110.2R98E81-R98 IonicContact OE1-CZ 2.67Å; E81-R98 IonicContact OE1-NH1 2.8Å; E81-R98 PolarHBondContact OE1-NH1 3.03Å; E81-R98 IonicContact OE1-NH2 3.25Å; E81-R98 IonicContact OE2-CZ 3.81Å; E81-R98 IonicContact OE2-NH1 3.8Å; E81-R98 PolarHBondContact OE2-NH1 3.01Å; E81-R98 IonicContact OE2-NH2 3.35Å; E81-R98 PolarHBondContact OE2-NH2 3.27Å
82P93.8Very high95.3Very high30 Ų3094.5 Ų94.520%0.19543%0.428CS..PPolyproline II helixtrans-70.7153.3179.630.4-34.7000111.3N93P82-N93 WeakPolarHBondContact CB-ND2 3.39Å; P82-N93 WeakPolarHBondContact CB-OD1 3.46Å; P82-N93 WeakPolarHBondContact CG-OD1 3.5Å
83L94.1Very high95.1Very high111 Ų11191.7 Ų91.758%0.58141%0.41SS*.PPolyproline II helixtrans-65.4136.5165.3-71.3174.7000109.5W85 T86 Y90L83-W85 PolarHBondContact O-N 2.71Å; L83-T86 HydrophobicContact CB-CG2 3.52Å; L83-T86 HydrophobicContact CD1-CG2 4.3Å; L83-T86 PolarHBondContact O-N 3.39Å; L83-T86 PolarHBondContact O-OG1 3.16Å; L83-Y90 HydrophobicContact CD1-CD1 4.2Å; L83-Y90 HydrophobicContact CD1-CE1 4.05Å
84E92.8Very high95Very high160 Ų16087.8 Ų87.875%0.74840%0.396SS*.THydrogen-bonded Turntrans-56.3139.6178.4-60.7-175.2179.100111.4T86E84-T86 PolarHBondContact O-N 2.98Å; E84-T86 VanDerWaalsContact O-N 3.08Å
85W90.9Very high94.8Very high228 Ų22891.1 Ų91.186%0.86441%0.414SS*.THydrogen-bonded Turntrans61.713.9173.5-42.6107000116.4L83L83-W85 PolarHBondContact O-N 2.71Å
86T91.7Very high94.7Very high18 Ų1885.5 Ų85.511%0.1138%0.384CS..  trans-88.8-16.3179570000114.5L83 E84 F88 E89 Y90L83-T86 HydrophobicContact CB-CG2 3.52Å; L83-T86 HydrophobicContact CD1-CG2 4.3Å; L83-T86 PolarHBondContact O-N 3.39Å; L83-T86 PolarHBondContact O-OG1 3.16Å; E84-T86 PolarHBondContact O-N 2.98Å; E84-T86 VanDerWaalsContact O-N 3.08Å; T86-F88 PolarHBondContact O-N 3.34Å; T86-F88 VanDerWaalsContact O-N 3.08Å; T86-E89 WeakPolarHBondContact O-CB 3.45Å; T86-E89 PolarHBondContact O-N 3.06Å; T86-Y90 HydrophobicContact CG2-CD2 3.72Å; T86-Y90 HydrophobicContact CG2-CE2 3.8Å; T86-Y90 HydrophobicContact CG2-CG 4.4Å
87M92.7Very high94.7Very high73 Ų7376.6 Ų76.636%0.3635%0.35SS..THydrogen-bonded Turntrans46.8-115.6-177.6-53.9-145.7-148.200111.4N93 T348 S350M87-N93 WeakPolarHBondContact O-CB 3.43Å; M87-N93 PolarHBondContact O-ND2 3.27Å; M87-T348 WeakPolarHBondContact CE-O 3.36Å; M87-S350 PolarHBondContact SD-N 3.22Å
88F94.2Very high94.7Very high4 Ų478 Ų782%0.01835%0.353CS..THydrogen-bonded Turntrans-106.65.2176.6-95.1-124.8000113.8T86 Y90 G91 V92 N93 F96 T347 M351 G352 L354T86-F88 PolarHBondContact O-N 3.34Å; T86-F88 VanDerWaalsContact O-N 3.08Å; F88-Y90 PolarHBondContact O-N 2.99Å; F88-G91 CarbonylContact C-O 3.58Å; F88-G91 VanDerWaalsContact CA-O 3.27Å; F88-G91 WeakPolarHBondContact CA-O 3.39Å; F88-G91 PolarHBondContact O-N 3.03Å; F88-V92 HydrophobicContact CE1-CB 4.12Å; F88-V92 HydrophobicContact CE1-CG1 3.95Å; F88-V92 HydrophobicContact CE1-CG2 4Å; F88-V92 HydrophobicContact CE2-CG1 4.47Å; F88-V92 HydrophobicContact CZ-CB 4.29Å; F88-V92 HydrophobicContact CZ-CG1 3.69Å; F88-N93 HydrophobicContact CD2-CB 3.85Å; F88-N93 HydrophobicContact CE2-CB 3.7Å; F88-F96 HydrophobicContact CE2-CB 3.92Å; F88-F96 HydrophobicContact CE2-CG 4.27Å; F88-F96 HydrophobicContact CZ-CB 3.99Å; F88-F96 AromaticContact CZ-CD1 3.92Å; F88-F96 HydrophobicContact CZ-CD1 3.92Å; F88-F96 AromaticContact CZ-CG 3.87Å; F88-F96 HydrophobicContact CZ-CG 3.87Å; F88-T347 CarbonylContact C-O 3.58Å; F88-T347 WeakPolarHBondContact CA-O 3.47Å; F88-T347 WeakPolarHBondContact CB-O 3.38Å; F88-T347 PolarHBondContact N-O 3.39Å; F88-M351 VanDerWaalsContact CE2-C 3.48Å; F88-G352 VanDerWaalsContact CE2-N 3.26Å; F88-L354 HydrophobicContact CE1-CD1 4.21Å; F88-L354 HydrophobicContact CZ-CD1 4.24Å
89E93.1Very high94.7Very high125 Ų12570.8 Ų70.858%0.58433%0.329SS*.THydrogen-bonded Turntrans-64.5-22.1-177.1-61.9-172.3165.400113.4T86 T347T86-E89 WeakPolarHBondContact O-CB 3.45Å; T86-E89 PolarHBondContact O-N 3.06Å; E89-T347 PolarHBondContact N-O 3.06Å
90Y94.2Very high94.8Very high178 Ų17869.4 Ų69.470%0.69832%0.322SS*.THydrogen-bonded Turntrans-101.513176.1-78.6-115.2000112.3L83 T86 F88L83-Y90 HydrophobicContact CD1-CD1 4.2Å; L83-Y90 HydrophobicContact CD1-CE1 4.05Å; T86-Y90 HydrophobicContact CG2-CD2 3.72Å; T86-Y90 HydrophobicContact CG2-CE2 3.8Å; T86-Y90 HydrophobicContact CG2-CG 4.4Å; F88-Y90 PolarHBondContact O-N 2.99Å
91G94.9Very high95Very high23 Ų2366.5 Ų66.524%0.23731%0.308CS..SBendtrans97.2-169.2-168.400000112.1F88 N93F88-G91 CarbonylContact C-O 3.58Å; F88-G91 VanDerWaalsContact CA-O 3.27Å; F88-G91 WeakPolarHBondContact CA-O 3.39Å; F88-G91 PolarHBondContact O-N 3.03Å; G91-N93 PolarHBondContact O-N 3.34Å
92V95.7Very high95.1Very high13 Ų1362.5 Ų62.58%0.07929%0.291CS..SBendtrans-58128.2-174.2-172.50000111.8F80 F88 F96 L97 A332 E336F80-V92 WeakPolarHBondContact CZ-O 3.48Å; F88-V92 HydrophobicContact CE1-CB 4.12Å; F88-V92 HydrophobicContact CE1-CG1 3.95Å; F88-V92 HydrophobicContact CE1-CG2 4Å; F88-V92 HydrophobicContact CE2-CG1 4.47Å; F88-V92 HydrophobicContact CZ-CB 4.29Å; F88-V92 HydrophobicContact CZ-CG1 3.69Å; V92-F96 HydrophobicContact CG1-CD1 3.49Å; V92-F96 VanDerWaalsContact CG1-CD1 3.49Å; V92-F96 HydrophobicContact CG1-CE1 4.19Å; V92-F96 HydrophobicContact CG1-CG 4.4Å; V92-L97 HydrophobicContact CG1-CD1 4.43Å; V92-L97 HydrophobicContact CG1-CD2 3.67Å; V92-L97 HydrophobicContact CG1-CG 3.78Å; V92-A332 HydrophobicContact CB-CB 4.31Å; V92-A332 HydrophobicContact CG2-CB 4.3Å; V92-A332 WeakPolarHBondContact CG2-O 3.48Å; V92-E336 HydrophobicContact CG2-CB 3.55Å; V92-E336 HydrophobicContact CG2-CG 4.13Å
93N94.9Very high95.3Very high13 Ų1364 Ų647%0.0729%0.293CS..  trans-69.4140.7179.7-162.3-76.6000112.3P82 M87 F88 G91 D95 F96 L97P82-N93 WeakPolarHBondContact CB-ND2 3.39Å; P82-N93 WeakPolarHBondContact CB-OD1 3.46Å; P82-N93 WeakPolarHBondContact CG-OD1 3.5Å; M87-N93 WeakPolarHBondContact O-CB 3.43Å; M87-N93 PolarHBondContact O-ND2 3.27Å; F88-N93 HydrophobicContact CD2-CB 3.85Å; F88-N93 HydrophobicContact CE2-CB 3.7Å; G91-N93 PolarHBondContact O-N 3.34Å; N93-D95 VanDerWaalsContact C-N 3.27Å; N93-D95 PolarHBondContact O-N 3.13Å; N93-D95 WeakPolarHBondContact OD1-CB 3.34Å; N93-D95 PolarHBondContact OD1-N 3.48Å; N93-F96 HydrophobicContact CB-CB 4.45Å; N93-F96 PolarHBondContact O-N 2.94Å; N93-F96 VanDerWaalsContact O-N 3.17Å; N93-L97 PolarHBondContact O-N 2.9Å; N93-L97 VanDerWaalsContact O-N 3.09Å
94G95.6Very high95.6Very high0 Ų059.4 Ų59.40%027%0.268CS..Hα-helixtrans-58.9-34.7176.400000113.6I79 L97 R98I79-G94 WeakPolarHBondContact CG2-O 3.34Å; G94-L97 PolarHBondContact O-N 3.4Å; G94-R98 PolarHBondContact O-N 2.88Å
95D95.2Very high95.8Very high73 Ų7353.1 Ų53.139%0.3924%0.239SC..Hα-helixtrans-64.9-42175.7-70.5-37.4000112.2N93 L97 R98 H99 M351N93-D95 VanDerWaalsContact C-N 3.27Å; N93-D95 PolarHBondContact O-N 3.13Å; N93-D95 WeakPolarHBondContact OD1-CB 3.34Å; N93-D95 PolarHBondContact OD1-N 3.48Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.93Å; D95-R98 WeakPolarHBondContact O-CB 3.29Å; D95-R98 PolarHBondContact O-N 3.21Å; D95-R98 IonicContact OD1-CZ 3.8Å; D95-R98 IonicContact OD1-NE 3.46Å; D95-R98 PolarHBondContact OD1-NE 2.97Å; D95-R98 IonicContact OD1-NH2 2.77Å; D95-R98 PolarHBondContact OD1-NH2 3.46Å; D95-H99 PolarHBondContact O-N 2.85Å; D95-M351 HydrophobicContact CB-CE 4.24Å
96F96.2Very high96.2Very high1 Ų149 Ų490%0.00423%0.23CC..Hα-helixtrans-62.7-42.3173.9173.7-96.6000111.2F88 V92 N93 R98 H99 L100 L335 M351 L354 L360F88-F96 HydrophobicContact CE2-CB 3.92Å; F88-F96 HydrophobicContact CE2-CG 4.27Å; F88-F96 HydrophobicContact CZ-CB 3.99Å; F88-F96 AromaticContact CZ-CD1 3.92Å; F88-F96 HydrophobicContact CZ-CD1 3.92Å; F88-F96 AromaticContact CZ-CG 3.87Å; F88-F96 HydrophobicContact CZ-CG 3.87Å; V92-F96 HydrophobicContact CG1-CD1 3.49Å; V92-F96 VanDerWaalsContact CG1-CD1 3.49Å; V92-F96 HydrophobicContact CG1-CE1 4.19Å; V92-F96 HydrophobicContact CG1-CG 4.4Å; N93-F96 HydrophobicContact CB-CB 4.45Å; N93-F96 PolarHBondContact O-N 2.94Å; N93-F96 VanDerWaalsContact O-N 3.17Å; F96-R98 VanDerWaalsContact C-N 3.3Å; F96-R98 PolarHBondContact O-N 3.18Å; F96-H99 PolarHBondContact O-N 3.28Å; F96-L100 HydrophobicContact CE1-CB 4.19Å; F96-L100 HydrophobicContact CE1-CD2 4.07Å; F96-L100 HydrophobicContact CZ-CB 4.28Å; F96-L100 HydrophobicContact CZ-CD1 4.15Å; F96-L100 HydrophobicContact CZ-CD2 4.47Å; F96-L100 WeakPolarHBondContact O-CB 3.43Å; F96-L100 PolarHBondContact O-N 3.23Å; F96-L335 HydrophobicContact CE1-CD1 4.29Å; F96-L335 HydrophobicContact CZ-CD1 4.46Å; F96-M351 HydrophobicContact CB-SD 3.83Å; F96-M351 HydrophobicContact CD2-CB 4.18Å; F96-M351 HydrophobicContact CD2-SD 3.97Å; F96-M351 HydrophobicContact CG-SD 4.42Å; F96-L354 HydrophobicContact CD1-CD1 4.32Å; F96-L354 HydrophobicContact CD2-CD1 4.47Å; F96-L354 HydrophobicContact CE1-CD1 3.58Å; F96-L354 HydrophobicContact CE2-CD1 3.77Å; F96-L354 HydrophobicContact CZ-CD1 3.27Å; F96-L360 HydrophobicContact CE2-CD2 4.43Å
97L97.4Very high96.5Very high7 Ų754.3 Ų54.34%0.03725%0.253CS..Hα-helixtrans-63-36.3177.6-67.6178.8000112.5I79 F80 V92 N93 G94 D95 R101 I328 A332I79-L97 HydrophobicContact CD1-CB 4.13Å; I79-L97 HydrophobicContact CG2-CB 4.01Å; F80-L97 HydrophobicContact CE1-CD1 3.97Å; F80-L97 HydrophobicContact CZ-CD1 4.32Å; V92-L97 HydrophobicContact CG1-CD1 4.43Å; V92-L97 HydrophobicContact CG1-CD2 3.67Å; V92-L97 HydrophobicContact CG1-CG 3.78Å; N93-L97 PolarHBondContact O-N 2.9Å; N93-L97 VanDerWaalsContact O-N 3.09Å; G94-L97 PolarHBondContact O-N 3.4Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.93Å; L97-R101 VanDerWaalsContact O-CB 3.26Å; L97-R101 WeakPolarHBondContact O-CB 3.31Å; L97-R101 PolarHBondContact O-N 3.42Å; L97-I328 HydrophobicContact CB-CD1 4.2Å; L97-I328 HydrophobicContact CB-CG1 4.24Å; L97-I328 HydrophobicContact CD2-CD1 4.06Å; L97-I328 HydrophobicContact CD2-CG1 4.24Å; L97-A332 HydrophobicContact CD1-CB 4.02Å; L97-A332 HydrophobicContact CD2-CB 3.85Å
98R97.5Very high96.8Very high50 Ų5051.9 Ų51.919%0.18924%0.24CC..Hα-helixtrans-62.1-50.6172.7-75.5-179.4-88.9-104.214.7110.7I79 F80 E81 G94 D95 F96 L100 R101 D102I79-R98 HydrophobicContact CB-CG 4.39Å; I79-R98 HydrophobicContact CD1-CB 4.47Å; I79-R98 HydrophobicContact CD1-CG 3.9Å; I79-R98 HydrophobicContact CG2-CG 4.06Å; F80-R98 PolarHBondContact O-NH1 2.87Å; E81-R98 IonicContact OE1-CZ 2.67Å; E81-R98 IonicContact OE1-NH1 2.8Å; E81-R98 PolarHBondContact OE1-NH1 3.03Å; E81-R98 IonicContact OE1-NH2 3.25Å; E81-R98 IonicContact OE2-CZ 3.81Å; E81-R98 IonicContact OE2-NH1 3.8Å; E81-R98 PolarHBondContact OE2-NH1 3.01Å; E81-R98 IonicContact OE2-NH2 3.35Å; E81-R98 PolarHBondContact OE2-NH2 3.27Å; G94-R98 PolarHBondContact O-N 2.88Å; D95-R98 WeakPolarHBondContact O-CB 3.29Å; D95-R98 PolarHBondContact O-N 3.21Å; D95-R98 IonicContact OD1-CZ 3.8Å; D95-R98 IonicContact OD1-NE 3.46Å; D95-R98 PolarHBondContact OD1-NE 2.97Å; D95-R98 IonicContact OD1-NH2 2.77Å; D95-R98 PolarHBondContact OD1-NH2 3.46Å; F96-R98 VanDerWaalsContact C-N 3.3Å; F96-R98 PolarHBondContact O-N 3.18Å; R98-L100 PolarHBondContact O-N 2.92Å; R98-R101 PolarHBondContact O-N 3.03Å; R98-D102 PolarHBondContact O-N 3.18Å
99H97.4Very high97Very high94 Ų9455.5 Ų55.544%0.43526%0.26SS..Hα-helixtrans-58.5-47.2177.8179.261.2000112.2D95 F96 D102 Y103D95-H99 PolarHBondContact O-N 2.85Å; F96-H99 PolarHBondContact O-N 3.28Å; H99-D102 PolarHBondContact O-N 3.11Å; H99-Y103 WeakPolarHBondContact O-CB 3.39Å; H99-Y103 PolarHBondContact O-N 3.25Å
100L98.1Very high97.3Very high0 Ų050.2 Ų50.20%024%0.235CC..Hα-helixtrans-60.6-46.8177.7-176.174.2000111.4F96 R98 D102 Y103 W104 A331 L335 L360 I364F96-L100 HydrophobicContact CE1-CB 4.19Å; F96-L100 HydrophobicContact CE1-CD2 4.07Å; F96-L100 HydrophobicContact CZ-CB 4.28Å; F96-L100 HydrophobicContact CZ-CD1 4.15Å; F96-L100 HydrophobicContact CZ-CD2 4.47Å; F96-L100 WeakPolarHBondContact O-CB 3.43Å; F96-L100 PolarHBondContact O-N 3.23Å; R98-L100 PolarHBondContact O-N 2.92Å; L100-D102 VanDerWaalsContact C-N 3.32Å; L100-D102 PolarHBondContact O-N 2.78Å; L100-Y103 PolarHBondContact O-N 2.97Å; L100-W104 WeakPolarHBondContact O-CB 3.35Å; L100-W104 PolarHBondContact O-N 3.45Å; L100-A331 HydrophobicContact CD2-CB 3.77Å; L100-L335 HydrophobicContact CD1-CD1 4.19Å; L100-L335 HydrophobicContact CD2-CD1 3.55Å; L100-L360 HydrophobicContact CD1-CD2 3.89Å; L100-I364 HydrophobicContact CD1-CD1 3.97Å; L100-I364 HydrophobicContact CD1-CG1 3.72Å
101R98.5Very high97.5Very high53 Ų5345.5 Ų45.520%0.222%0.216CC..Hα-helixtrans-58.5-46177.7178.9-158.663.9-163.1-4.8110.9L74 I79 L97 R98 W104 L105 I328L74-R101 VanDerWaalsContact O-CD 3.32Å; L74-R101 WeakPolarHBondContact O-CD 3.46Å; I79-R101 HydrophobicContact CD1-CB 4.32Å; L97-R101 VanDerWaalsContact O-CB 3.26Å; L97-R101 WeakPolarHBondContact O-CB 3.31Å; L97-R101 PolarHBondContact O-N 3.42Å; R98-R101 PolarHBondContact O-N 3.03Å; R101-W104 PolarHBondContact O-N 3.26Å; R101-L105 HydrophobicContact CG-CD1 3.92Å; R101-L105 WeakPolarHBondContact O-CB 3.4Å; R101-L105 WeakPolarHBondContact O-CG 3.45Å; R101-L105 PolarHBondContact O-N 3.3Å; R101-I328 HydrophobicContact CB-CD1 4.14Å
102D98.4Very high97.7Very high58 Ų5851 Ų5131%0.3123%0.233SC..Hα-helixtrans-67.2-44.8-176.1-64.4-11.2000110.4R98 H99 L100 W104 L105 Q106R98-D102 PolarHBondContact O-N 3.18Å; H99-D102 PolarHBondContact O-N 3.11Å; L100-D102 VanDerWaalsContact C-N 3.32Å; L100-D102 PolarHBondContact O-N 2.78Å; D102-W104 VanDerWaalsContact C-N 3.34Å; D102-W104 PolarHBondContact O-N 2.88Å; D102-L105 PolarHBondContact O-N 3.45Å; D102-Q106 VanDerWaalsContact O-CB 3.29Å; D102-Q106 WeakPolarHBondContact O-CB 3.34Å; D102-Q106 VanDerWaalsContact O-CG 3.26Å; D102-Q106 WeakPolarHBondContact O-CG 3.43Å; D102-Q106 PolarHBondContact O-N 2.84Å
103Y98.7Very high97.8Very high63 Ų6350.9 Ų50.925%0.24723%0.234CC..Hα-helixtrans-59.5-44.1172.2-170-85.8000111.9H99 L100 L105 Q106 E107 Y108 L360 I364H99-Y103 WeakPolarHBondContact O-CB 3.39Å; H99-Y103 PolarHBondContact O-N 3.25Å; L100-Y103 PolarHBondContact O-N 2.97Å; Y103-L105 VanDerWaalsContact C-N 3.3Å; Y103-L105 PolarHBondContact O-N 2.84Å; Y103-Q106 PolarHBondContact O-N 3Å; Y103-E107 HydrophobicContact CD1-CB 4.2Å; Y103-E107 HydrophobicContact CD2-CB 3.8Å; Y103-E107 HydrophobicContact CD2-CG 3.92Å; Y103-E107 HydrophobicContact CE1-CB 4.09Å; Y103-E107 HydrophobicContact CE2-CB 3.67Å; Y103-E107 HydrophobicContact CE2-CG 4Å; Y103-E107 HydrophobicContact CG-CB 4.07Å; Y103-E107 HydrophobicContact CG-CG 4.47Å; Y103-E107 WeakPolarHBondContact O-CA 3.44Å; Y103-E107 PolarHBondContact O-N 2.94Å; Y103-Y108 PolarHBondContact O-N 2.82Å; Y103-L360 HydrophobicContact CD1-CB 3.81Å; Y103-L360 HydrophobicContact CD1-CD1 4.1Å; Y103-L360 HydrophobicContact CD2-CD1 3.72Å; Y103-L360 HydrophobicContact CE1-CB 3.62Å; Y103-L360 HydrophobicContact CE1-CD1 4.38Å; Y103-L360 HydrophobicContact CE2-CD1 4.03Å; Y103-L360 HydrophobicContact CG-CB 4.35Å; Y103-L360 HydrophobicContact CG-CD1 3.75Å; Y103-I364 HydrophobicContact CD1-CD1 3.69Å; Y103-I364 HydrophobicContact CE1-CD1 4.27Å
104W98.6Very high98Very high13 Ų1351.2 Ų51.25%0.04924%0.235CC..Hα-helixtrans-64-34.1179.8-164.4-3000112.5L70 L74 L100 R101 D102 Y108 P327 A331 I364 V367 M368L70-W104 HydrophobicContact CD1-CH2 4.18Å; L70-W104 HydrophobicContact CD1-CZ2 3.89Å; L70-W104 HydrophobicContact CD2-CZ2 3.94Å; L70-W104 HydrophobicContact CG-CZ2 4.46Å; L74-W104 HydrophobicContact CD1-CB 4.39Å; L74-W104 HydrophobicContact CD1-CD2 3.54Å; L74-W104 HydrophobicContact CD1-CE3 3.87Å; L74-W104 HydrophobicContact CD1-CG 3.78Å; L74-W104 HydrophobicContact CD1-CZ2 4.33Å; L74-W104 HydrophobicContact CD1-CZ3 4.39Å; L74-W104 HydrophobicContact CD2-CD2 4.18Å; L74-W104 HydrophobicContact CD2-CE3 3.59Å; L74-W104 HydrophobicContact CD2-CH2 4.39Å; L74-W104 HydrophobicContact CD2-CZ3 3.72Å; L74-W104 HydrophobicContact CG-CE3 4.39Å; L100-W104 WeakPolarHBondContact O-CB 3.35Å; L100-W104 PolarHBondContact O-N 3.45Å; R101-W104 PolarHBondContact O-N 3.26Å; D102-W104 VanDerWaalsContact C-N 3.34Å; D102-W104 PolarHBondContact O-N 2.88Å; W104-Y108 AromaticContact CD1-CD1 3.53Å; W104-Y108 AromaticContact NE1-CD1 3.73Å; W104-P327 HydrophobicContact CH2-CB 4.14Å; W104-P327 HydrophobicContact CZ3-CB 4.46Å; W104-A331 HydrophobicContact CZ3-CB 4.08Å; W104-I364 HydrophobicContact CB-CD1 3.89Å; W104-I364 HydrophobicContact CD2-CG2 3.81Å; W104-I364 HydrophobicContact CG-CD1 4.1Å; W104-I364 HydrophobicContact CG-CG1 4.45Å; W104-I364 HydrophobicContact CG-CG2 3.84Å; W104-I364 HydrophobicContact CZ2-CG2 4.17Å; W104-I364 VanDerWaalsContact NE1-CG2 3.33Å; W104-V367 HydrophobicContact CH2-CG1 3.63Å; W104-V367 HydrophobicContact CZ2-CG1 4.4Å; W104-V367 HydrophobicContact CZ3-CG1 4.19Å; W104-M368 HydrophobicContact CZ2-CG 3.98Å; W104-M368 HydrophobicContact CZ2-SD 3.53Å; W104-M368 VanDerWaalsContact CZ2-SD 3.53Å
105L98.6Very high98.1Very high28 Ų2855.2 Ų55.215%0.14726%0.263CS..Hα-helixtrans-80.3-28178.9-76171.6000114.1R71 L74 N75 R101 D102 Y103R71-L105 HydrophobicContact CG-CD2 3.76Å; R71-L105 PolarHBondContact NH1-O 3.36Å; R71-L105 VanDerWaalsContact NH1-O 3.13Å; L74-L105 HydrophobicContact CB-CD1 4.38Å; L74-L105 HydrophobicContact CB-CD2 3.79Å; L74-L105 HydrophobicContact CB-CG 4.13Å; L74-L105 HydrophobicContact CD1-CD2 4.3Å; N75-L105 HydrophobicContact CB-CD1 4.47Å; R101-L105 HydrophobicContact CG-CD1 3.92Å; R101-L105 WeakPolarHBondContact O-CB 3.4Å; R101-L105 WeakPolarHBondContact O-CG 3.45Å; R101-L105 PolarHBondContact O-N 3.3Å; D102-L105 PolarHBondContact O-N 3.45Å; Y103-L105 VanDerWaalsContact C-N 3.3Å; Y103-L105 PolarHBondContact O-N 2.84Å
106Q98.4Very high98.3Very high142 Ų14254.6 Ų54.666%0.66427%0.268SS*.Hα-helixtrans-112.7-35.6-166-61.6176.313.400113.7D102 Y103D102-Q106 VanDerWaalsContact O-CB 3.29Å; D102-Q106 WeakPolarHBondContact O-CB 3.34Å; D102-Q106 VanDerWaalsContact O-CG 3.26Å; D102-Q106 WeakPolarHBondContact O-CG 3.43Å; D102-Q106 PolarHBondContact O-N 2.84Å; Y103-Q106 PolarHBondContact O-N 3Å
107E98.5Very high98.4Very high129 Ų12954.7 Ų54.760%0.60327%0.269SS*.THydrogen-bonded Turntrans-118-38.4-169-59.2-65.2164.200112.7Y103 D109Y103-E107 HydrophobicContact CD1-CB 4.2Å; Y103-E107 HydrophobicContact CD2-CB 3.8Å; Y103-E107 HydrophobicContact CD2-CG 3.92Å; Y103-E107 HydrophobicContact CE1-CB 4.09Å; Y103-E107 HydrophobicContact CE2-CB 3.67Å; Y103-E107 HydrophobicContact CE2-CG 4Å; Y103-E107 HydrophobicContact CG-CB 4.07Å; Y103-E107 HydrophobicContact CG-CG 4.47Å; Y103-E107 WeakPolarHBondContact O-CA 3.44Å; Y103-E107 PolarHBondContact O-N 2.94Å; E107-D109 PolarHBondContact O-N 3.23Å
108Y98.7Very high98.5Very high22 Ų2256.2 Ų56.29%0.08628%0.277CS..  trans-67.1127.7-179179.9-101.2000112Y103 W104 W110 A113 D361 I364 T365 M368Y103-Y108 PolarHBondContact O-N 2.82Å; W104-Y108 AromaticContact CD1-CD1 3.53Å; W104-Y108 AromaticContact NE1-CD1 3.73Å; Y108-W110 HydrophobicContact CE1-CB 4.04Å; Y108-W110 HydrophobicContact CE1-CE3 4.33Å; Y108-A113 HydrophobicContact CE2-CB 4.4Å; Y108-A113 VanDerWaalsContact OH-CB 3.27Å; Y108-A113 WeakPolarHBondContact OH-CB 3.06Å; Y108-D361 HydrophobicContact CD2-CB 4.49Å; Y108-D361 WeakPolarHBondContact CD2-OD1 3.46Å; Y108-I364 HydrophobicContact CD1-CG2 3.58Å; Y108-I364 HydrophobicContact CD2-CB 3.82Å; Y108-I364 HydrophobicContact CD2-CD1 4.18Å; Y108-I364 HydrophobicContact CD2-CG2 3.67Å; Y108-I364 HydrophobicContact CE1-CG2 3.56Å; Y108-I364 HydrophobicContact CE2-CB 3.84Å; Y108-I364 HydrophobicContact CE2-CG2 3.67Å; Y108-I364 HydrophobicContact CG-CB 4.2Å; Y108-I364 HydrophobicContact CG-CD1 4.18Å; Y108-I364 HydrophobicContact CG-CG2 3.62Å; Y108-T365 WeakPolarHBondContact CE2-OG1 3.48Å; Y108-T365 WeakPolarHBondContact OH-CA 3.26Å; Y108-T365 PolarHBondContact OH-OG1 3.49Å; Y108-M368 HydrophobicContact CE1-CG 3.82Å
109D98.6Very high98.5Very high81 Ų8157.3 Ų57.343%0.43330%0.296SS..  trans-112.2104.6176.6-177.8-4.5000111.1E107 R111 K112 A113E107-D109 PolarHBondContact O-N 3.23Å; D109-R111 VanDerWaalsContact C-N 3.28Å; D109-R111 PolarHBondContact O-N 2.83Å; D109-R111 WeakPolarHBondContact OD1-CA 3.39Å; D109-R111 WeakPolarHBondContact OD1-CB 3.49Å; D109-R111 PolarHBondContact OD1-N 2.73Å; D109-K112 HydrophobicContact CB-CB 3.92Å; D109-K112 PolarHBondContact O-N 3.06Å; D109-K112 PolarHBondContact OD1-N 2.86Å; D109-A113 PolarHBondContact O-N 2.94Å; D109-A113 VanDerWaalsContact O-N 3.1Å
110W98.7Very high98.6Very high13 Ų1354.1 Ų54.15%0.04928%0.281CS..Hα-helixtrans-60.1-36.4174.7173.3-103000112.4I60 I62 L67 Y108 K112 A113 E114 L117 M368 V372I60-W110 HydrophobicContact CG2-CZ2 4.26Å; I62-W110 HydrophobicContact CB-CZ2 4.46Å; I62-W110 HydrophobicContact CD1-CZ2 4.48Å; I62-W110 HydrophobicContact CG1-CZ2 3.47Å; I62-W110 VanDerWaalsContact CG1-CZ2 3.47Å; L67-W110 HydrophobicContact CD1-CB 4.46Å; L67-W110 HydrophobicContact CD1-CG 4.26Å; L67-W110 HydrophobicContact CD2-CB 4.25Å; L67-W110 HydrophobicContact CD2-CG 3.81Å; Y108-W110 HydrophobicContact CE1-CB 4.04Å; Y108-W110 HydrophobicContact CE1-CE3 4.33Å; W110-K112 VanDerWaalsContact C-N 3.32Å; W110-K112 PolarHBondContact O-N 2.84Å; W110-A113 HydrophobicContact CE3-CB 4.24Å; W110-A113 CarbonylContact O-C 3.55Å; W110-A113 PolarHBondContact O-N 2.94Å; W110-E114 HydrophobicContact CZ2-CB 4.23Å; W110-E114 PolarHBondContact NE1-OE1 3.28Å; W110-E114 VanDerWaalsContact NE1-OE1 3.16Å; W110-E114 WeakPolarHBondContact O-CB 3.28Å; W110-E114 PolarHBondContact O-N 2.9Å; W110-L117 HydrophobicContact CH2-CD1 4.03Å; W110-L117 HydrophobicContact CZ3-CD1 4.4Å; W110-M368 HydrophobicContact CB-CE 4.04Å; W110-M368 HydrophobicContact CD2-CE 3.41Å; W110-M368 VanDerWaalsContact CD2-CE 3.41Å; W110-M368 HydrophobicContact CE3-CB 3.58Å; W110-M368 HydrophobicContact CE3-CE 3.38Å; W110-M368 HydrophobicContact CE3-CG 3.79Å; W110-M368 HydrophobicContact CE3-SD 4.42Å; W110-M368 HydrophobicContact CG-CE 3.69Å; W110-M368 HydrophobicContact CH2-CB 4.23Å; W110-M368 HydrophobicContact CZ3-CB 3.31Å; W110-M368 HydrophobicContact CZ3-CE 4.1Å; W110-M368 HydrophobicContact CZ3-CG 4.07Å; W110-V372 HydrophobicContact CH2-CG2 4.19Å; W110-V372 HydrophobicContact CZ2-CG1 4.46Å; W110-V372 HydrophobicContact CZ2-CG2 4.19Å
111R98.6Very high98.6Very high80 Ų8057.9 Ų57.930%0.30230%0.301SS..Hα-helixtrans-68.4-35.6-177.5-63.8-61.1-175.9-163-2.1111.1I62 D64 D109 E114 S115I62-R111 VanDerWaalsContact O-CZ 3.31Å; I62-R111 PolarHBondContact O-NH1 3.41Å; I62-R111 PolarHBondContact O-NH2 2.99Å; D64-R111 IonicContact OD1-CZ 2.91Å; D64-R111 IonicContact OD1-NE 3.25Å; D64-R111 IonicContact OD1-NH2 2.69Å; D64-R111 PolarHBondContact OD1-NH2 3.37Å; D109-R111 VanDerWaalsContact C-N 3.28Å; D109-R111 PolarHBondContact O-N 2.83Å; D109-R111 WeakPolarHBondContact OD1-CA 3.39Å; D109-R111 WeakPolarHBondContact OD1-CB 3.49Å; D109-R111 PolarHBondContact OD1-N 2.73Å; R111-E114 WeakPolarHBondContact CD-OE2 3.4Å; R111-E114 IonicContact CZ-OE2 2.7Å; R111-E114 IonicContact NH1-OE1 3.4Å; R111-E114 PolarHBondContact NH1-OE1 2.92Å; R111-E114 IonicContact NH1-OE2 3.45Å; R111-E114 PolarHBondContact NH1-OE2 2.79Å; R111-S115 WeakPolarHBondContact O-CB 3.41Å; R111-S115 PolarHBondContact O-N 2.95Å
112K98.7Very high98.6Very high137 Ų13755.6 Ų55.660%0.59629%0.293SS*.Hα-helixtrans-63.2-46.4169.3-176.2-176.2174.4-167.30111.6D109 W110 S115 A116D109-K112 HydrophobicContact CB-CB 3.92Å; D109-K112 PolarHBondContact O-N 3.06Å; D109-K112 PolarHBondContact OD1-N 2.86Å; W110-K112 VanDerWaalsContact C-N 3.32Å; W110-K112 PolarHBondContact O-N 2.84Å; K112-S115 PolarHBondContact O-N 2.8Å; K112-A116 PolarHBondContact O-N 2.88Å
113A98.7Very high98.6Very high12 Ų1255.8 Ų55.810%0.09929%0.29CS..Hα-helixtrans-62.8-45.1177.200000112Y108 D109 W110 S115 A116 L117 T365Y108-A113 HydrophobicContact CE2-CB 4.4Å; Y108-A113 VanDerWaalsContact OH-CB 3.27Å; Y108-A113 WeakPolarHBondContact OH-CB 3.06Å; D109-A113 PolarHBondContact O-N 2.94Å; D109-A113 VanDerWaalsContact O-N 3.1Å; W110-A113 HydrophobicContact CE3-CB 4.24Å; W110-A113 CarbonylContact O-C 3.55Å; W110-A113 PolarHBondContact O-N 2.94Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 2.9Å; A113-A116 WeakPolarHBondContact O-CB 3.39Å; A113-A116 PolarHBondContact O-N 3.25Å; A113-A116 VanDerWaalsContact O-N 3.09Å; A113-L117 VanDerWaalsContact O-CG 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.47Å; A113-L117 PolarHBondContact O-N 2.87Å; A113-T365 HydrophobicContact CB-CG2 4.24Å
114E98.7Very high98.6Very high20 Ų2053.5 Ų53.59%0.09328%0.283CS..Hα-helixtrans-59.1-43.4176.1-178.2176.3-106.100111.6I60 I62 W110 R111 A116 L117 N118I60-E114 HydrophobicContact CG2-CG 4.15Å; I62-E114 PolarHBondContact N-OE1 2.84Å; W110-E114 HydrophobicContact CZ2-CB 4.23Å; W110-E114 PolarHBondContact NE1-OE1 3.28Å; W110-E114 VanDerWaalsContact NE1-OE1 3.16Å; W110-E114 WeakPolarHBondContact O-CB 3.28Å; W110-E114 PolarHBondContact O-N 2.9Å; R111-E114 WeakPolarHBondContact CD-OE2 3.4Å; R111-E114 IonicContact CZ-OE2 2.7Å; R111-E114 IonicContact NH1-OE1 3.4Å; R111-E114 PolarHBondContact NH1-OE1 2.92Å; R111-E114 IonicContact NH1-OE2 3.45Å; R111-E114 PolarHBondContact NH1-OE2 2.79Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.27Å; E114-L117 PolarHBondContact O-N 3.15Å; E114-N118 WeakPolarHBondContact O-CB 3.47Å; E114-N118 PolarHBondContact O-N 3.38Å; E114-N118 PolarHBondContact O-ND2 3.38Å
115S98.7Very high98.7Very high83 Ų8353.1 Ų53.158%0.5828%0.282SS*.Hα-helixtrans-62.9-39.8173.4-176.20000112.2R111 K112 A113 A119R111-S115 WeakPolarHBondContact O-CB 3.41Å; R111-S115 PolarHBondContact O-N 2.95Å; K112-S115 PolarHBondContact O-N 2.8Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 2.9Å; S115-A119 PolarHBondContact O-N 2.96Å
116A98.5Very high98.6Very high61 Ų6156 Ų5650%0.50429%0.293SS..Hα-helixtrans-68.7-39178.200000111.9K112 A113 E114 A119K112-A116 PolarHBondContact O-N 2.88Å; A113-A116 WeakPolarHBondContact O-CB 3.39Å; A113-A116 PolarHBondContact O-N 3.25Å; A113-A116 VanDerWaalsContact O-N 3.09Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.27Å; A116-A119 VanDerWaalsContact O-CB 3.28Å; A116-A119 WeakPolarHBondContact O-CB 3.37Å; A116-A119 PolarHBondContact O-N 3.47Å
117L98.8Very high98.6Very high3 Ų349.2 Ų49.22%0.01626%0.261CS..Hα-helixtrans-63.5-47.6173.9-65.8171.2000110.5I60 W110 A113 E114 A119 F120 H122 F160 F161 T365 I369I60-L117 HydrophobicContact CD1-CB 3.71Å; I60-L117 HydrophobicContact CD1-CD1 4.24Å; W110-L117 HydrophobicContact CH2-CD1 4.03Å; W110-L117 HydrophobicContact CZ3-CD1 4.4Å; A113-L117 VanDerWaalsContact O-CG 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.47Å; A113-L117 PolarHBondContact O-N 2.87Å; E114-L117 PolarHBondContact O-N 3.15Å; L117-A119 PolarHBondContact O-N 2.81Å; L117-F120 VanDerWaalsContact O-CD2 3.29Å; L117-F120 WeakPolarHBondContact O-CD2 3.49Å; L117-F120 PolarHBondContact O-N 2.69Å; L117-F120 VanDerWaalsContact O-N 3.11Å; L117-H122 PolarHBondContact O-NE2 3.47Å; L117-F160 HydrophobicContact CD2-CE2 3.93Å; L117-F160 HydrophobicContact CD2-CZ 4.14Å; L117-F161 HydrophobicContact CD2-CD2 3.54Å; L117-F161 HydrophobicContact CD2-CE2 4.1Å; L117-F161 HydrophobicContact CD2-CG 4.36Å; L117-T365 HydrophobicContact CD1-CG2 4.17Å; L117-T365 HydrophobicContact CD2-CG2 4.38Å; L117-T365 HydrophobicContact CG-CG2 4.49Å; L117-I369 HydrophobicContact CD1-CD1 4.34Å; L117-I369 HydrophobicContact CD1-CG1 4.33Å; L117-I369 HydrophobicContact CD2-CD1 4.37Å
118N98.8Very high98.6Very high39 Ų3943.3 Ų43.321%0.20923%0.234CC..THydrogen-bonded Turntrans-67.6-3.3177.2-76.4-51.1000114.9I60 E114 F120I60-N118 PolarHBondContact N-OD1 3.32Å; I60-N118 PolarHBondContact O-ND2 3.13Å; E114-N118 WeakPolarHBondContact O-CB 3.47Å; E114-N118 PolarHBondContact O-N 3.38Å; E114-N118 PolarHBondContact O-ND2 3.38Å; N118-F120 PolarHBondContact O-N 3.4Å
119A98.2Very high98.5Very high73 Ų7342.5 Ų42.560%0.60323%0.232SC*.THydrogen-bonded Turntrans-68.8-15.9169.100000111.9S115 A116 L117S115-A119 PolarHBondContact O-N 2.96Å; A116-A119 VanDerWaalsContact O-CB 3.28Å; A116-A119 WeakPolarHBondContact O-CB 3.37Å; A116-A119 PolarHBondContact O-N 3.47Å; L117-A119 PolarHBondContact O-N 2.81Å
120F98.6Very high98.5Very high26 Ų2638.7 Ų38.711%0.11421%0.211CC..SBendtrans-87.1152.7169.2-57.7-67.1000111.8L117 N118 H122 I135 Q137 S164 I167L117-F120 VanDerWaalsContact O-CD2 3.29Å; L117-F120 WeakPolarHBondContact O-CD2 3.49Å; L117-F120 PolarHBondContact O-N 2.69Å; L117-F120 VanDerWaalsContact O-N 3.11Å; N118-F120 PolarHBondContact O-N 3.4Å; F120-H122 PolarHBondContact O-CD2 3.18Å; F120-H122 PolarHBondContact O-N 3.42Å; F120-I135 HydrophobicContact CB-CD1 3.82Å; F120-I135 HydrophobicContact CB-CG1 4.03Å; F120-I135 HydrophobicContact CB-CG2 3.86Å; F120-I135 HydrophobicContact CD2-CD1 4.09Å; F120-I135 HydrophobicContact CG-CD1 3.99Å; F120-I135 HydrophobicContact CG-CG2 4.43Å; F120-Q137 HydrophobicContact CD1-CG 4.17Å; F120-S164 WeakPolarHBondContact CZ-O 3.44Å; F120-I167 HydrophobicContact CD1-CD1 4.03Å; F120-I167 HydrophobicContact CD1-CG2 4.12Å; F120-I167 HydrophobicContact CE1-CB 4Å; F120-I167 HydrophobicContact CE1-CD1 3.82Å; F120-I167 HydrophobicContact CE1-CG2 3.86Å; F120-I167 HydrophobicContact CZ-CD1 4.21Å
121N98.7Very high98.5Very high79 Ų7939.6 Ų39.642%0.42222%0.22SC..  trans-83.9101.7174.8-69.1-47.6000109.9Y123 I135 R136 Q137N121-Y123 HydrophobicContact CB-CE2 3.79Å; N121-Y123 WeakPolarHBondContact O-CD2 3.39Å; N121-Y123 WeakPolarHBondContact O-CE2 3.46Å; N121-I135 CarbonylContact O-C 3.59Å; N121-I135 WeakPolarHBondContact O-CA 3.2Å; N121-R136 WeakPolarHBondContact CB-O 3.34Å; N121-R136 PolarHBondContact O-N 3.2Å; N121-Q137 PolarHBondContact ND2-OE1 2.97Å
122H98.9Very high98.5Very high6 Ų635.8 Ų35.83%0.02821%0.206CC..EExtended strand (participates in β ladder)trans-92.4148.6179-61-98000112.2F58 L117 F120 H133 F134 F160F58-H122 HydrophobicContact CB-CB 4Å; F58-H122 HydrophobicContact CD1-CB 3.87Å; F58-H122 HydrophobicContact CG-CB 4.45Å; F58-H122 PolarHBondContact N-O 2.97Å; F58-H122 WeakPolarHBondContact O-CB 3.48Å; L117-H122 PolarHBondContact O-NE2 3.47Å; F120-H122 PolarHBondContact O-CD2 3.18Å; F120-H122 PolarHBondContact O-N 3.42Å; H122-H133 AromaticContact CE1-NE2 3.77Å; H122-H133 AromaticContact CG-NE2 3.77Å; H122-H133 AromaticContact ND1-CD2 3.98Å; H122-H133 AromaticContact ND1-CE1 3.61Å; H122-H133 AromaticContact ND1-NE2 2.84Å; H122-H133 PolarHBondContact ND1-NE2 2.97Å; H122-F134 WeakPolarHBondContact CA-O 3.39Å; H122-F160 AromaticContact CE1-CE2 3.79Å
123Y98.9Very high98.5Very high61 Ų6129.3 Ų29.324%0.23918%0.177CC..EExtended strand (participates in β ladder)trans-144.8160.2178.3-59.4-90.5000110.9I55 E56 P57 N121 H133 F134 R136I55-Y123 HydrophobicContact CG2-CD1 3.77Å; I55-Y123 HydrophobicContact CG2-CG 4.09Å; E56-Y123 CarbonylContact O-C 3.53Å; E56-Y123 WeakPolarHBondContact O-CA 3.46Å; P57-Y123 HydrophobicContact CG-CE1 4.47Å; N121-Y123 HydrophobicContact CB-CE2 3.79Å; N121-Y123 WeakPolarHBondContact O-CD2 3.39Å; N121-Y123 WeakPolarHBondContact O-CE2 3.46Å; Y123-H133 WeakPolarHBondContact O-CA 3.33Å; Y123-F134 HydrophobicContact CD2-CD2 4.48Å; Y123-F134 AromaticContact CD2-CE2 3.98Å; Y123-F134 HydrophobicContact CD2-CE2 3.98Å; Y123-F134 HydrophobicContact CD2-CZ 4.43Å; Y123-F134 HydrophobicContact CG-CE2 4.1Å; Y123-F134 HydrophobicContact CG-CZ 4.08Å; Y123-F134 PolarHBondContact N-O 3.38Å; Y123-F134 PolarHBondContact O-N 3.17Å; Y123-R136 HydrophobicContact CD2-CB 3.99Å; Y123-R136 HydrophobicContact CE2-CB 3.85Å
124V98.8Very high98.5Very high16 Ų1628.7 Ų28.710%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-130.4149.6168-67.80000110.8E56 F58 I132 H133E56-V124 HydrophobicContact CB-CG2 4.06Å; E56-V124 PolarHBondContact N-O 3.23Å; E56-V124 PolarHBondContact O-N 2.68Å; F58-V124 HydrophobicContact CB-CG1 4.07Å; F58-V124 HydrophobicContact CD2-CG1 3.88Å; F58-V124 HydrophobicContact CG-CG1 4.03Å; V124-I132 WeakPolarHBondContact CA-O 3.39Å; V124-H133 HydrophobicContact CG1-CB 4.28Å
125T98.8Very high98.5Very high5 Ų527.8 Ų27.83%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-153.4151.9170.4-170.60000109.8T54 I127 I132 F134 L219T54-T125 WeakPolarHBondContact O-CB 3.47Å; T54-T125 PolarHBondContact O-OG1 3.09Å; T125-I127 HydrophobicContact CG2-CD1 4.08Å; T125-I127 HydrophobicContact CG2-CG1 4.23Å; T125-I132 PolarHBondContact N-O 2.95Å; T125-I132 PolarHBondContact O-N 3.26Å; T125-F134 HydrophobicContact CG2-CE1 4.03Å; T125-L219 HydrophobicContact CG2-CD1 3.88Å
126K98.3Very high98.5Very high88 Ų8826.1 Ų26.138%0.38315%0.149SC..EExtended strand (participates in β ladder)trans-83.4128.9178.5-74.8-165.7173.9-171.40112D51 L130 R222D51-K126 HydrophobicContact CB-CB 3.93Å; K126-L130 CarbonylContact C-O 3.57Å; K126-L130 VanDerWaalsContact CA-O 3.3Å; K126-L130 WeakPolarHBondContact CA-O 3.26Å; K126-R222 PolarHBondContact O-NH1 3.04Å
127I98.3Very high98.5Very high0 Ų024.4 Ų24.40%013%0.131CC..EExtended strand (participates in β ladder)trans-140.1123.4173.7-58.1168.2000108.9D51 T125 G129 L130 I132 I215 K218 L219D51-I127 WeakPolarHBondContact OD2-CA 3.17Å; T125-I127 HydrophobicContact CG2-CD1 4.08Å; T125-I127 HydrophobicContact CG2-CG1 4.23Å; I127-G129 PolarHBondContact O-N 2.92Å; I127-L130 PolarHBondContact N-O 2.94Å; I127-L130 PolarHBondContact O-N 3.11Å; I127-L130 VanDerWaalsContact O-N 3.09Å; I127-I132 HydrophobicContact CB-CG1 4.1Å; I127-I132 HydrophobicContact CD1-CG1 4.27Å; I127-I132 HydrophobicContact CG1-CG1 4.44Å; I127-I215 HydrophobicContact CB-CG2 4.06Å; I127-I215 HydrophobicContact CD1-CG2 4.33Å; I127-I215 HydrophobicContact CG2-CB 4.13Å; I127-I215 HydrophobicContact CG2-CG1 4.11Å; I127-I215 HydrophobicContact CG2-CG2 3.84Å; I127-K218 HydrophobicContact CG2-CB 3.87Å; I127-K218 HydrophobicContact CG2-CD 3.78Å; I127-K218 HydrophobicContact CG2-CG 4.49Å; I127-L219 HydrophobicContact CD1-CB 3.57Å; I127-L219 HydrophobicContact CD1-CD1 4.15Å; I127-L219 HydrophobicContact CD1-CG 4.43Å
128E97.3Very high98.5Very high5 Ų530.2 Ų30.22%0.02316%0.156CC..THydrogen-bonded Turntrans54.239.7-178.8-66.2-175-155.300112.7G41 Y42 F43 D51 L130 R214 I215 K218G41-E128 WeakPolarHBondContact CA-OE2 3.48Å; G41-E128 PolarHBondContact N-OE2 3.17Å; G41-E128 WeakPolarHBondContact O-CB 3.5Å; G41-E128 WeakPolarHBondContact O-CG 3.28Å; Y42-E128 WeakPolarHBondContact CA-O 3.35Å; F43-E128 HydrophobicContact CD2-CB 4.21Å; F43-E128 WeakPolarHBondContact CE2-OE2 3.18Å; F43-E128 PolarHBondContact N-O 2.88Å; D51-E128 PolarHBondContact OD2-N 2.84Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.39Å; E128-R214 VanDerWaalsContact CD-NE 3.27Å; E128-R214 WeakPolarHBondContact OE1-CD 3.39Å; E128-R214 WeakPolarHBondContact OE1-CG 3.46Å; E128-R214 IonicContact OE1-CZ 3.35Å; E128-R214 IonicContact OE1-NE 3.05Å; E128-R214 PolarHBondContact OE1-NE 2.76Å; E128-R214 IonicContact OE1-NH2 2.77Å; E128-R214 IonicContact OE2-CZ 2.75Å; E128-R214 IonicContact OE2-NE 3.92Å; E128-R214 PolarHBondContact OE2-NE 2.92Å; E128-R214 IonicContact OE2-NH2 3.74Å; E128-R214 PolarHBondContact OE2-NH2 3.42Å; E128-I215 HydrophobicContact CB-CG1 4.28Å; E128-I215 HydrophobicContact CG-CG1 4.37Å; E128-K218 HydrophobicContact CG-CD 4.5Å; E128-K218 WeakPolarHBondContact OE1-CE 3.19Å; E128-K218 IonicContact OE1-NZ 2.82Å; E128-K218 PolarHBondContact OE1-NZ 2.84Å
129G97.5Very high98.4Very high5 Ų529.3 Ų29.35%0.05215%0.152CC..THydrogen-bonded Turntrans784.9-179.700000115.2G44 D51 I127G44-G129 WeakPolarHBondContact CA-O 3.15Å; D51-G129 WeakPolarHBondContact OD1-CA 3.39Å; D51-G129 PolarHBondContact OD1-N 3.45Å; I127-G129 PolarHBondContact O-N 2.92Å
130L98.2Very high98.1Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-111.8136.2179.2-59.9177.6000111.5F43 K126 I127 E128 I132 P194 E200 P202 I215F43-L130 HydrophobicContact CB-CD1 3.8Å; F43-L130 HydrophobicContact CB-CD2 3.88Å; F43-L130 HydrophobicContact CB-CG 3.83Å; F43-L130 HydrophobicContact CD2-CD1 4.38Å; F43-L130 HydrophobicContact CG-CD1 4.47Å; K126-L130 CarbonylContact C-O 3.57Å; K126-L130 VanDerWaalsContact CA-O 3.3Å; K126-L130 WeakPolarHBondContact CA-O 3.26Å; I127-L130 PolarHBondContact N-O 2.94Å; I127-L130 PolarHBondContact O-N 3.11Å; I127-L130 VanDerWaalsContact O-N 3.09Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 3.39Å; L130-I132 HydrophobicContact CB-CD1 3.79Å; L130-I132 HydrophobicContact CB-CG1 4.49Å; L130-I132 HydrophobicContact CD1-CD1 4.43Å; L130-I132 PolarHBondContact O-N 2.87Å; L130-P194 HydrophobicContact CD1-CB 4Å; L130-P194 HydrophobicContact CD1-CG 4.37Å; L130-E200 HydrophobicContact CD2-CB 4.46Å; L130-E200 HydrophobicContact CD2-CG 4.31Å; L130-P202 HydrophobicContact CD1-CG 4.11Å; L130-I215 HydrophobicContact CD1-CD1 4.25Å
131S98.3Very high97.9Very high33 Ų3332.1 Ų32.123%0.23118%0.176CC..EExtended strand (participates in β ladder)trans-72.2108.1164.6-176.60000110.5E200S131-E200 PolarHBondContact N-OE2 3.28Å; S131-E200 WeakPolarHBondContact O-CB 3.48Å; S131-E200 PolarHBondContact O-N 3.14Å
132I98.8Very high97.5Very high0 Ų032.5 Ų32.50%020%0.199CC..EExtended strand (participates in β ladder)trans-95.7119.5-179.3-56.1-56.2000109.8V124 T125 I127 L130 P194 I215 F216 L219V124-I132 WeakPolarHBondContact CA-O 3.39Å; T125-I132 PolarHBondContact N-O 2.95Å; T125-I132 PolarHBondContact O-N 3.26Å; I127-I132 HydrophobicContact CB-CG1 4.1Å; I127-I132 HydrophobicContact CD1-CG1 4.27Å; I127-I132 HydrophobicContact CG1-CG1 4.44Å; L130-I132 HydrophobicContact CB-CD1 3.79Å; L130-I132 HydrophobicContact CB-CG1 4.49Å; L130-I132 HydrophobicContact CD1-CD1 4.43Å; L130-I132 PolarHBondContact O-N 2.87Å; I132-P194 HydrophobicContact CD1-CG 4.32Å; I132-I215 HydrophobicContact CD1-CG2 3.81Å; I132-I215 HydrophobicContact CG1-CG2 3.72Å; I132-F216 HydrophobicContact CG2-CE1 4.07Å; I132-L219 HydrophobicContact CG2-CD2 4.39Å
133H98.9Very high97.1Very high0 Ų036.2 Ų36.20%022%0.215CC..EExtended strand (participates in β ladder)trans-84.6138.8173.8164.1-99.2000111.5F58 H122 Y123 V124 F160 S192 F198 S199F58-H133 AromaticContact CD1-CD2 3.83Å; H122-H133 AromaticContact CE1-NE2 3.77Å; H122-H133 AromaticContact CG-NE2 3.77Å; H122-H133 AromaticContact ND1-CD2 3.98Å; H122-H133 AromaticContact ND1-CE1 3.61Å; H122-H133 AromaticContact ND1-NE2 2.84Å; H122-H133 PolarHBondContact ND1-NE2 2.97Å; Y123-H133 WeakPolarHBondContact O-CA 3.33Å; V124-H133 HydrophobicContact CG1-CB 4.28Å; H133-F160 AromaticContact CE1-CD1 3.76Å; H133-F160 AromaticContact CE1-CE1 3.93Å; H133-S192 PolarHBondContact ND1-OG 2.73Å; H133-S192 PolarHBondContact O-N 3.38Å; H133-F198 VanDerWaalsContact CB-C 3.45Å; H133-F198 HydrophobicContact CB-CB 3.74Å; H133-F198 WeakPolarHBondContact CB-O 3.32Å; H133-S199 PolarHBondContact N-OG 3.4Å
134F98.9Very high96.7Very high0 Ų034.6 Ų34.60%021%0.208CC..EExtended strand (participates in β ladder)trans-152.4155.1171.763.4-79.8000112.5I55 H122 Y123 T125 R136 V189 V190 A191 L219 L223I55-F134 HydrophobicContact CG2-CZ 3.84Å; H122-F134 WeakPolarHBondContact CA-O 3.39Å; Y123-F134 HydrophobicContact CD2-CD2 4.48Å; Y123-F134 AromaticContact CD2-CE2 3.98Å; Y123-F134 HydrophobicContact CD2-CE2 3.98Å; Y123-F134 HydrophobicContact CD2-CZ 4.43Å; Y123-F134 HydrophobicContact CG-CE2 4.1Å; Y123-F134 HydrophobicContact CG-CZ 4.08Å; Y123-F134 PolarHBondContact N-O 3.38Å; Y123-F134 PolarHBondContact O-N 3.17Å; T125-F134 HydrophobicContact CG2-CE1 4.03Å; F134-R136 HydrophobicContact CD2-CB 4.21Å; F134-R136 HydrophobicContact CE2-CB 4.06Å; F134-V189 HydrophobicContact CB-CG1 4.37Å; F134-V189 HydrophobicContact CD2-CG1 4.11Å; F134-V190 CarbonylContact C-O 3.5Å; F134-V190 WeakPolarHBondContact CA-O 3.47Å; F134-V190 WeakPolarHBondContact CB-O 3.27Å; F134-A191 HydrophobicContact CB-CB 4.34Å; F134-L219 HydrophobicContact CB-CD2 4.22Å; F134-L219 HydrophobicContact CD1-CD1 3.71Å; F134-L219 HydrophobicContact CD1-CD2 4.23Å; F134-L219 HydrophobicContact CE1-CD1 3.61Å; F134-L219 HydrophobicContact CG-CD1 4.25Å; F134-L219 HydrophobicContact CG-CD2 4.2Å; F134-L219 HydrophobicContact CZ-CD1 4.04Å; F134-L223 HydrophobicContact CD2-CD1 4.31Å; F134-L223 HydrophobicContact CE2-CD1 3.9Å; F134-L223 HydrophobicContact CE2-CD2 3.77Å; F134-L223 HydrophobicContact CE2-CG 4.43Å; F134-L223 HydrophobicContact CZ-CD1 4.41Å; F134-L223 HydrophobicContact CZ-CD2 3.8Å
135I98.9Very high96.3Very high0 Ų042.2 Ų42.20%025%0.249CC..EExtended strand (participates in β ladder)trans-90.8141.1163.3-67.2166.4000108.3F120 N121 Q137 F160 I167 V189 V190F120-I135 HydrophobicContact CB-CD1 3.82Å; F120-I135 HydrophobicContact CB-CG1 4.03Å; F120-I135 HydrophobicContact CB-CG2 3.86Å; F120-I135 HydrophobicContact CD2-CD1 4.09Å; F120-I135 HydrophobicContact CG-CD1 3.99Å; F120-I135 HydrophobicContact CG-CG2 4.43Å; N121-I135 CarbonylContact O-C 3.59Å; N121-I135 WeakPolarHBondContact O-CA 3.2Å; I135-Q137 HydrophobicContact CG2-CG 3.89Å; I135-F160 HydrophobicContact CD1-CD2 3.49Å; I135-F160 VanDerWaalsContact CD1-CD2 3.49Å; I135-F160 HydrophobicContact CD1-CE2 4Å; I135-F160 HydrophobicContact CD1-CG 4.34Å; I135-I167 HydrophobicContact CD1-CD1 4.39Å; I135-V189 CarbonylContact O-C 3.59Å; I135-V189 VanDerWaalsContact O-CA 3.26Å; I135-V189 WeakPolarHBondContact O-CA 3.41Å; I135-V190 HydrophobicContact CB-CB 4.16Å; I135-V190 PolarHBondContact N-O 2.82Å; I135-V190 PolarHBondContact O-N 3.27Å
136R98.8Very high95.9Very high49 Ų4949 Ų4919%0.18527%0.274CS..EExtended strand (participates in β ladder)trans-128.8109.9166.4179.9-177.5-179.4165.38.8109.9N121 Y123 F134 E187 V188 V189N121-R136 WeakPolarHBondContact CB-O 3.34Å; N121-R136 PolarHBondContact O-N 3.2Å; Y123-R136 HydrophobicContact CD2-CB 3.99Å; Y123-R136 HydrophobicContact CE2-CB 3.85Å; F134-R136 HydrophobicContact CD2-CB 4.21Å; F134-R136 HydrophobicContact CE2-CB 4.06Å; R136-E187 IonicContact CZ-OE1 2.7Å; R136-E187 IonicContact NE-OE1 3.94Å; R136-E187 PolarHBondContact NE-OE1 3.47Å; R136-E187 IonicContact NH2-OE1 3.12Å; R136-E187 PolarHBondContact NH2-OE1 3.49Å; R136-E187 IonicContact NH2-OE2 2.73Å; R136-V188 CarbonylContact C-O 3.58Å; R136-V188 WeakPolarHBondContact CA-O 3.41Å; R136-V189 HydrophobicContact CG-CG2 4.5Å
137Q98.5Very high95.8Very high25 Ų2547.9 Ų47.912%0.11727%0.274CS..EExtended strand (participates in β ladder)trans-113.1129.4176.7-76.1-68.333.900112.8F120 N121 I135 I167 I171 E187 V188F120-Q137 HydrophobicContact CD1-CG 4.17Å; N121-Q137 PolarHBondContact ND2-OE1 2.97Å; I135-Q137 HydrophobicContact CG2-CG 3.89Å; Q137-I167 HydrophobicContact CB-CG2 3.96Å; Q137-I167 HydrophobicContact CG-CG2 3.91Å; Q137-I171 HydrophobicContact CB-CD1 4.34Å; Q137-I171 HydrophobicContact CB-CG2 4.01Å; Q137-E187 CarbonylContact O-C 3.48Å; Q137-E187 WeakPolarHBondContact O-CA 3.29Å; Q137-V188 PolarHBondContact N-O 3.35Å; Q137-V188 PolarHBondContact O-N 3.09Å
138K97.9Very high95.7Very high124 Ų12450.4 Ų50.454%0.53928%0.284SS..PPolyproline II helixtrans-96.9146.2179.8-66.7-174176.4-177.30110.5E187K138-E187 WeakPolarHBondContact CE-OE1 3.31Å; K138-E187 HydrophobicContact CG-CG 4.04Å; K138-E187 WeakPolarHBondContact CG-OE1 3.38Å
139P96.1Very high95.7Very high20 Ų2051.1 Ų51.113%0.1329%0.289CS..PPolyproline II helixtrans-67.1160.6168.932.5-36000110.9A141 Y144 V147 I171 A185 F186P139-A141 PolarHBondContact O-N 3.19Å; P139-Y144 HydrophobicContact CB-CD2 4.28Å; P139-V147 HydrophobicContact CG-CB 4.39Å; P139-V147 HydrophobicContact CG-CG1 3.69Å; P139-V147 HydrophobicContact CG-CG2 3.74Å; P139-I171 VanDerWaalsContact CA-O 3.28Å; P139-I171 WeakPolarHBondContact CA-O 3.47Å; P139-I171 WeakPolarHBondContact CB-O 3.23Å; P139-A185 HydrophobicContact CB-CB 3.7Å; P139-A185 HydrophobicContact CG-CB 4.29Å; P139-F186 WeakPolarHBondContact CD-O 3.47Å
140P93.8Very high95.8Very high52 Ų5250.9 Ų50.934%0.33829%0.286SS..PPolyproline II helixtrans-54.4128.2172-24.333.6000111.6G142 K143 I171 D172P140-G142 PolarHBondContact O-N 3.26Å; P140-K143 HydrophobicContact CB-CB 4.09Å; P140-K143 HydrophobicContact CB-CD 4.05Å; P140-K143 HydrophobicContact CG-CD 4.17Å; P140-K143 PolarHBondContact O-N 2.93Å; P140-I171 VanDerWaalsContact CD-O 3.23Å; P140-I171 WeakPolarHBondContact CD-O 3.08Å; P140-D172 HydrophobicContact CG-CB 4.18Å
141A93Very high95.8Very high106 Ų10650.9 Ų50.988%0.87629%0.286SS*.THydrogen-bonded Turntrans-60.7134.7-176.900000111.7P139 K143P139-A141 PolarHBondContact O-N 3.19Å; A141-K143 PolarHBondContact O-N 3.09Å
142G89.9Confident95.8Very high88 Ų8849.3 Ų49.391%0.90728%0.276SS*.THydrogen-bonded Turntrans72.5217600000115.8P140P140-G142 PolarHBondContact O-N 3.26Å
143K91.2Very high95.8Very high84 Ų8449.3 Ų49.337%0.36528%0.276SS..SBendtrans-84.7-21.4-178.3-170173.8-177.6-1770113.9P140 A141 D172P140-K143 HydrophobicContact CB-CB 4.09Å; P140-K143 HydrophobicContact CB-CD 4.05Å; P140-K143 HydrophobicContact CG-CD 4.17Å; P140-K143 PolarHBondContact O-N 2.93Å; A141-K143 PolarHBondContact O-N 3.09Å; K143-D172 WeakPolarHBondContact CE-OD1 3.38Å; K143-D172 VanDerWaalsContact NZ-CG 3.26Å; K143-D172 IonicContact NZ-OD1 2.65Å; K143-D172 PolarHBondContact NZ-OD1 2.8Å; K143-D172 IonicContact NZ-OD2 2.93Å; K143-D172 PolarHBondContact NZ-OD2 3.02Å
144Y91.4Very high95.8Very high26 Ų2649.3 Ų49.310%0.10228%0.276CS..  trans-131.4132.4-172.2-65.2-82.7000111.8P139 R146 D172 P173 M174 A185P139-Y144 HydrophobicContact CB-CD2 4.28Å; Y144-R146 VanDerWaalsContact C-N 3.29Å; Y144-R146 PolarHBondContact O-N 2.85Å; Y144-D172 WeakPolarHBondContact OH-CA 3.41Å; Y144-D172 PolarHBondContact OH-OD1 3.33Å; Y144-P173 HydrophobicContact CE1-CG 3.79Å; Y144-P173 VanDerWaalsContact OH-CD 3.25Å; Y144-P173 WeakPolarHBondContact OH-CD 3.46Å; Y144-M174 HydrophobicContact CE1-CB 4.49Å; Y144-M174 HydrophobicContact CE1-CG 3.79Å; Y144-M174 HydrophobicContact CE1-SD 3.86Å; Y144-M174 WeakPolarHBondContact OH-CB 3.23Å; Y144-M174 PolarHBondContact OH-N 3.21Å; Y144-A185 HydrophobicContact CD1-CB 3.83Å; Y144-A185 HydrophobicContact CD2-CB 3.46Å; Y144-A185 VanDerWaalsContact CD2-CB 3.46Å; Y144-A185 HydrophobicContact CE1-CB 4.11Å; Y144-A185 HydrophobicContact CE2-CB 3.77Å; Y144-A185 HydrophobicContact CG-CB 3.5Å
145D88.9Confident95.7Very high176 Ų17649.4 Ų49.494%0.94128%0.276SS*.SBendtrans-70.2-28175.9-62.2-35.2000112.6
146R91.3Very high95.7Very high149 Ų14949.6 Ų49.656%0.56228%0.277SS*.  trans-128.5124.4-178.6-65.1-178-174.3-178.50.9110Y144 Y148 P184 A185Y144-R146 VanDerWaalsContact C-N 3.29Å; Y144-R146 PolarHBondContact O-N 2.85Å; R146-Y148 HydrophobicContact CB-CE2 4.31Å; R146-P184 HydrophobicContact CB-CB 3.89Å; R146-P184 WeakPolarHBondContact O-CA 3.12Å; R146-P184 WeakPolarHBondContact O-CB 3.4Å; R146-A185 PolarHBondContact O-N 3.36Å
147V94.9Very high95.7Very high64 Ų6447.2 Ų47.239%0.38827%0.268SS..EExtended strand (participates in β ladder)trans-124.9123.3173.4179.20000108.4P139 A185 E187P139-V147 HydrophobicContact CG-CB 4.39Å; P139-V147 HydrophobicContact CG-CG1 3.69Å; P139-V147 HydrophobicContact CG-CG2 3.74Å; V147-A185 VanDerWaalsContact CA-O 3.29Å; V147-A185 WeakPolarHBondContact CA-O 3.42Å; V147-E187 HydrophobicContact CG1-CB 4.05Å
148Y96.2Very high95.6Very high52 Ų5246.1 Ų46.120%0.20426%0.263CS..EExtended strand (participates in β ladder)trans-107.2137.2175.7-65.4-73.3000110.8R146 P184 A185 F186 E187 F229 V457R146-Y148 HydrophobicContact CB-CE2 4.31Å; Y148-P184 HydrophobicContact CD2-CB 3.63Å; Y148-P184 HydrophobicContact CD2-CG 3.84Å; Y148-P184 HydrophobicContact CE2-CB 3.61Å; Y148-P184 HydrophobicContact CE2-CG 3.78Å; Y148-A185 PolarHBondContact N-O 2.81Å; Y148-F186 CarbonylContact O-C 3.59Å; Y148-F186 WeakPolarHBondContact O-CA 3.34Å; Y148-F186 WeakPolarHBondContact O-CD1 3.36Å; Y148-E187 PolarHBondContact O-N 2.9Å; Y148-F229 AromaticContact CD1-CE2 3.87Å; Y148-F229 HydrophobicContact CD1-CE2 3.87Å; Y148-F229 HydrophobicContact CD2-CE2 4.33Å; Y148-F229 HydrophobicContact CE1-CE2 4.47Å; Y148-F229 HydrophobicContact CG-CD2 4.26Å; Y148-F229 AromaticContact CG-CE2 3.79Å; Y148-F229 HydrophobicContact CG-CE2 3.79Å; Y148-V457 HydrophobicContact CD2-CG1 3.74Å; Y148-V457 HydrophobicContact CE2-CG1 3.66Å
149P98.4Very high95.7Very high20 Ų2040.2 Ų40.213%0.1324%0.238CC..EExtended strand (participates in β ladder)trans-72.3138169-9.625.4000109.9E187 M220 F225 Y228 F229P149-E187 WeakPolarHBondContact CA-O 3.42Å; P149-M220 HydrophobicContact CB-CE 4.5Å; P149-F225 HydrophobicContact CB-CB 4.23Å; P149-F225 HydrophobicContact CB-CD1 3.47Å; P149-F225 VanDerWaalsContact CB-CD1 3.47Å; P149-F225 HydrophobicContact CB-CD2 4.01Å; P149-F225 HydrophobicContact CB-CE1 3.68Å; P149-F225 HydrophobicContact CB-CE2 4.18Å; P149-F225 HydrophobicContact CB-CG 3.64Å; P149-F225 HydrophobicContact CB-CZ 4.02Å; P149-F225 HydrophobicContact CG-CB 4.36Å; P149-F225 HydrophobicContact CG-CD1 3.24Å; P149-F225 HydrophobicContact CG-CE1 3.55Å; P149-F225 HydrophobicContact CG-CG 3.87Å; P149-F225 HydrophobicContact CG-CZ 4.38Å; P149-Y228 WeakPolarHBondContact O-CA 3.38Å; P149-Y228 WeakPolarHBondContact O-CB 3.32Å; P149-F229 PolarHBondContact O-N 3.26Å
150I98.8Very high95.8Very high0 Ų039.4 Ų39.40%023%0.232CC..EExtended strand (participates in β ladder)trans-133.6132173.6-170.2170.8000111L152 F186 E187 V188 V189 F229 H231 L453I150-L152 HydrophobicContact CD1-CD2 3.74Å; I150-L152 HydrophobicContact CG1-CD2 3.83Å; I150-L152 HydrophobicContact CG2-CD2 4.36Å; I150-F186 HydrophobicContact CB-CD1 3.65Å; I150-F186 HydrophobicContact CB-CE1 4.07Å; I150-F186 HydrophobicContact CB-CG 4.32Å; I150-F186 HydrophobicContact CD1-CD1 4.28Å; I150-F186 HydrophobicContact CD1-CE1 4Å; I150-F186 HydrophobicContact CD1-CZ 4.27Å; I150-F186 HydrophobicContact CG2-CB 3.66Å; I150-F186 HydrophobicContact CG2-CD1 3.63Å; I150-F186 HydrophobicContact CG2-CE1 4.39Å; I150-F186 HydrophobicContact CG2-CG 3.77Å; I150-E187 PolarHBondContact N-O 3.49Å; I150-V188 HydrophobicContact CG2-CB 4.26Å; I150-V188 HydrophobicContact CG2-CG1 4.42Å; I150-V188 HydrophobicContact CG2-CG2 3.81Å; I150-V189 PolarHBondContact O-N 2.96Å; I150-F229 WeakPolarHBondContact CA-O 3.15Å; I150-F229 HydrophobicContact CB-CB 4.14Å; I150-F229 HydrophobicContact CD1-CB 4.18Å; I150-F229 HydrophobicContact CG1-CB 3.82Å; I150-H231 HydrophobicContact CD1-CB 4.31Å; I150-L453 HydrophobicContact CD1-CD2 3.95Å
151L98.9Very high96Very high0 Ų038 Ų380%022%0.22CC..EExtended strand (participates in β ladder)trans-95.6121.8169.7177.264.6000109.6V153 V189 A191 F216 M220 F229 C230 H231 M243L151-V153 HydrophobicContact CD1-CG2 4.27Å; L151-V153 HydrophobicContact CD2-CG2 4Å; L151-V153 HydrophobicContact CG-CG2 3.8Å; L151-V189 CarbonylContact C-O 3.6Å; L151-V189 WeakPolarHBondContact CA-O 3.44Å; L151-V189 HydrophobicContact CD1-CB 4.24Å; L151-V189 HydrophobicContact CD1-CG1 3.91Å; L151-A191 HydrophobicContact CD1-CB 3.96Å; L151-F216 HydrophobicContact CD2-CB 4.01Å; L151-F216 HydrophobicContact CD2-CD2 4.34Å; L151-M220 HydrophobicContact CB-CE 4.19Å; L151-M220 HydrophobicContact CB-SD 4.07Å; L151-M220 HydrophobicContact CD1-SD 4.14Å; L151-M220 HydrophobicContact CD2-CG 4.23Å; L151-M220 HydrophobicContact CG-SD 4.47Å; L151-F229 PolarHBondContact N-O 2.79Å; L151-C230 CarbonylContact O-C 3.56Å; L151-C230 WeakPolarHBondContact O-CA 3.18Å; L151-H231 PolarHBondContact O-N 2.91Å; L151-M243 HydrophobicContact CD2-CE 3.7Å; L151-M243 HydrophobicContact CD2-SD 3.71Å
152L98.9Very high96.3Very high1 Ų133 Ų331%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-103.8130171.3-46.1-176.5000109.3I150 F163 I166 L170 V188 V189 V190 A191 H231I150-L152 HydrophobicContact CD1-CD2 3.74Å; I150-L152 HydrophobicContact CG1-CD2 3.83Å; I150-L152 HydrophobicContact CG2-CD2 4.36Å; L152-F163 HydrophobicContact CB-CD1 4.19Å; L152-F163 HydrophobicContact CB-CD2 4.02Å; L152-F163 HydrophobicContact CB-CE1 4.17Å; L152-F163 HydrophobicContact CB-CE2 3.95Å; L152-F163 HydrophobicContact CB-CG 4.11Å; L152-F163 HydrophobicContact CB-CZ 4.05Å; L152-F163 HydrophobicContact CD1-CB 4Å; L152-F163 HydrophobicContact CD1-CD1 3.92Å; L152-F163 HydrophobicContact CD1-CG 3.92Å; L152-I166 HydrophobicContact CD1-CG2 4.17Å; L152-L170 HydrophobicContact CD1-CD1 4.04Å; L152-L170 HydrophobicContact CD2-CD1 4.31Å; L152-V188 HydrophobicContact CD1-CG1 3.65Å; L152-V188 HydrophobicContact CG-CG1 3.97Å; L152-V189 PolarHBondContact N-O 2.96Å; L152-V190 HydrophobicContact CB-CG1 4.42Å; L152-V190 HydrophobicContact CB-CG2 4.05Å; L152-V190 HydrophobicContact CD1-CG2 3.9Å; L152-V190 HydrophobicContact CG-CG2 4.21Å; L152-V190 WeakPolarHBondContact O-CA 3.1Å; L152-A191 PolarHBondContact O-N 3.44Å; L152-H231 WeakPolarHBondContact CA-O 3.35Å; L152-H231 HydrophobicContact CD2-CB 3.55Å
153V98.8Very high96.7Very high0 Ų028.8 Ų28.80%014%0.136CC..EExtended strand (participates in β ladder)trans-128.1125.4-179.9-169.60000110.5L151 L193 F216 H231 G232 S233 G236 V239 V240L151-V153 HydrophobicContact CD1-CG2 4.27Å; L151-V153 HydrophobicContact CD2-CG2 4Å; L151-V153 HydrophobicContact CG-CG2 3.8Å; V153-L193 HydrophobicContact CG1-CD2 3.63Å; V153-L193 HydrophobicContact CG1-CG 4.42Å; V153-F216 HydrophobicContact CB-CE2 4.49Å; V153-F216 HydrophobicContact CG1-CD2 4.39Å; V153-F216 HydrophobicContact CG1-CE2 3.67Å; V153-F216 HydrophobicContact CG2-CD2 3.95Å; V153-F216 HydrophobicContact CG2-CE2 3.94Å; V153-H231 PolarHBondContact N-O 3.24Å; V153-G232 VanDerWaalsContact O-CA 3.31Å; V153-G232 WeakPolarHBondContact O-CA 3.23Å; V153-S233 PolarHBondContact O-N 3.06Å; V153-G236 VanDerWaalsContact CG1-CA 3.42Å; V153-G236 WeakPolarHBondContact O-CA 3.38Å; V153-V239 HydrophobicContact CG1-CB 4.47Å; V153-V239 HydrophobicContact CG1-CG1 4.46Å; V153-V240 HydrophobicContact CB-CG1 4.15Å; V153-V240 HydrophobicContact CG2-CG1 3.59Å
154H98.6Very high97Very high0 Ų025.6 Ų25.60%012%0.124CC..  trans-84.9172.6-179.267.686.5000111.5S158 S159 F160 F163 S192 L193 G236H154-S158 PolarHBondContact ND1-O 3.49Å; H154-S159 VanDerWaalsContact CB-O 3.27Å; H154-S159 WeakPolarHBondContact CB-O 3.33Å; H154-S159 VanDerWaalsContact CD2-C 3.47Å; H154-S159 WeakPolarHBondContact ND1-CA 3.5Å; H154-F160 PolarHBondContact CD2-N 3.4Å; H154-F160 VanDerWaalsContact CD2-N 3.33Å; H154-F163 HydrophobicContact CB-CE2 3.73Å; H154-F163 HydrophobicContact CB-CZ 4.37Å; H154-S192 WeakPolarHBondContact NE2-CA 3.45Å; H154-L193 PolarHBondContact NE2-N 3.37Å; H154-L193 WeakPolarHBondContact O-CD1 3.41Å; H154-G236 WeakPolarHBondContact O-CA 3.45Å; H154-G236 PolarHBondContact O-N 3.35Å; H154-G236 VanDerWaalsContact O-N 3.1Å
155G97.5Very high97.3Very high1 Ų127.4 Ų27.41%0.0113%0.132CC..  trans-109.8-15517100000115.3S158G155-S158 CarbonylContact O-C 3.37Å; G155-S158 PolarHBondContact O-N 3.35Å; G155-S158 VanDerWaalsContact O-O 3.05Å
156W98.1Very high97.7Very high4 Ų419 Ų192%0.0159%0.088CC..SBendtrans-117.4140.9171.5-17999.2000109S158 Y308 Y333 K337 W341 Y383W156-S158 VanDerWaalsContact CA-N 3.3Å; W156-Y308 AromaticContact CE3-CD2 3.98Å; W156-Y308 HydrophobicContact CE3-CD2 3.98Å; W156-Y308 AromaticContact CE3-CE2 3.69Å; W156-Y308 HydrophobicContact CE3-CE2 3.69Å; W156-Y308 AromaticContact CH2-CD2 3.65Å; W156-Y308 HydrophobicContact CH2-CD2 3.65Å; W156-Y308 HydrophobicContact CH2-CE2 4.22Å; W156-Y308 HydrophobicContact CH2-CG 4.36Å; W156-Y308 AromaticContact CZ3-CD2 3.21Å; W156-Y308 HydrophobicContact CZ3-CD2 3.21Å; W156-Y308 AromaticContact CZ3-CE2 3.32Å; W156-Y308 HydrophobicContact CZ3-CE2 3.32Å; W156-Y308 HydrophobicContact CZ3-CG 4.1Å; W156-Y333 HydrophobicContact CH2-CD1 4.11Å; W156-Y333 AromaticContact CH2-CE1 3.7Å; W156-Y333 HydrophobicContact CH2-CE1 3.7Å; W156-Y333 AromaticContact CZ2-CD1 3.9Å; W156-Y333 HydrophobicContact CZ2-CD1 3.9Å; W156-Y333 AromaticContact CZ2-CE1 3.56Å; W156-Y333 HydrophobicContact CZ2-CE1 3.56Å; W156-K337 HydrophobicContact CH2-CG 4.45Å; W156-K337 HydrophobicContact CZ3-CG 4.16Å; W156-W341 HydrophobicContact CE3-CH2 4.06Å; W156-W341 HydrophobicContact CZ3-CH2 4.01Å; W156-W341 WeakPolarHBondContact O-CZ3 3.37Å; W156-Y383 HydrophobicContact CB-CE2 4.14Å; W156-Y383 AromaticContact CD2-CE2 3.95Å; W156-Y383 HydrophobicContact CD2-CE2 3.95Å; W156-Y383 HydrophobicContact CE3-CE2 4.26Å; W156-Y383 AromaticContact CE3-CZ 3.95Å; W156-Y383 AromaticContact CG-CE2 3.87Å; W156-Y383 HydrophobicContact CG-CE2 3.87Å
157P97.8Very high98Very high0 Ų012 Ų120%06%0.061CC..SBendcis-88.336.61.936.8-34.4000112.8V334 K337 Y338 Q366 Y370P157-V334 HydrophobicContact CB-CB 4.41Å; P157-V334 HydrophobicContact CB-CG1 4.09Å; P157-V334 HydrophobicContact CB-CG2 4.2Å; P157-V334 HydrophobicContact CG-CG1 4.34Å; P157-K337 HydrophobicContact CG-CB 3.76Å; P157-K337 HydrophobicContact CG-CG 4.03Å; P157-Y338 HydrophobicContact CG-CE2 4.3Å; P157-Q366 PolarHBondContact O-NE2 3.05Å; P157-Y370 VanDerWaalsContact CA-OH 3.31Å; P157-Y370 WeakPolarHBondContact CA-OH 3.35Å; P157-Y370 WeakPolarHBondContact O-CE2 3.23Å; P157-Y370 PolarHBondContact O-OH 2.86Å
158S97.8Very high98Very high1 Ų111.9 Ų11.91%0.0076%0.062CC..  trans-91.2179.3-178.7-161.40000112.6H154 G155 W156 E162 Y370H154-S158 PolarHBondContact ND1-O 3.49Å; G155-S158 CarbonylContact O-C 3.37Å; G155-S158 PolarHBondContact O-N 3.35Å; G155-S158 VanDerWaalsContact O-O 3.05Å; W156-S158 VanDerWaalsContact CA-N 3.3Å; S158-E162 WeakPolarHBondContact CB-OE2 3.4Å; S158-E162 WeakPolarHBondContact OG-CB 3.39Å; S158-E162 PolarHBondContact OG-OE2 2.71Å; S158-Y370 PolarHBondContact O-OH 3.33Å; S158-Y370 VanDerWaalsContact O-OH 3.1Å
159S98.6Very high98Very high1 Ų110.2 Ų10.21%0.0076%0.056CC..  trans-144.9-175.9175.875.50000110.2H154 F161 E162 Q366 I369H154-S159 VanDerWaalsContact CB-O 3.27Å; H154-S159 WeakPolarHBondContact CB-O 3.33Å; H154-S159 VanDerWaalsContact CD2-C 3.47Å; H154-S159 WeakPolarHBondContact ND1-CA 3.5Å; S159-F161 PolarHBondContact O-N 3.02Å; S159-F161 VanDerWaalsContact OG-CB 3.24Å; S159-F161 WeakPolarHBondContact OG-CB 3.45Å; S159-F161 PolarHBondContact OG-N 3.39Å; S159-F161 VanDerWaalsContact OG-N 3.16Å; S159-E162 WeakPolarHBondContact O-CB 3.49Å; S159-E162 PolarHBondContact O-N 2.8Å; S159-E162 VanDerWaalsContact O-N 3.09Å; S159-Q366 VanDerWaalsContact N-NE2 3.18Å; S159-Q366 PolarHBondContact OG-OE1 3.02Å; S159-I369 WeakPolarHBondContact OG-CD1 3.19Å
160F98.6Very high97.9Very high2 Ų29.3 Ų9.31%0.0095%0.05CC..G310 helixtrans-53.8-23.4171.171.1-92.3000112.6I60 L117 H122 H133 I135 H154 E162 F163 V190 A197 F198 I369I60-F160 HydrophobicContact CD1-CZ 4.11Å; L117-F160 HydrophobicContact CD2-CE2 3.93Å; L117-F160 HydrophobicContact CD2-CZ 4.14Å; H122-F160 AromaticContact CE1-CE2 3.79Å; H133-F160 AromaticContact CE1-CD1 3.76Å; H133-F160 AromaticContact CE1-CE1 3.93Å; I135-F160 HydrophobicContact CD1-CD2 3.49Å; I135-F160 VanDerWaalsContact CD1-CD2 3.49Å; I135-F160 HydrophobicContact CD1-CE2 4Å; I135-F160 HydrophobicContact CD1-CG 4.34Å; H154-F160 PolarHBondContact CD2-N 3.4Å; H154-F160 VanDerWaalsContact CD2-N 3.33Å; F160-E162 PolarHBondContact O-N 3Å; F160-F163 PolarHBondContact O-N 3.14Å; F160-F163 VanDerWaalsContact O-N 3.14Å; F160-V190 HydrophobicContact CB-CG1 3.76Å; F160-A197 HydrophobicContact CD1-CB 3.84Å; F160-A197 HydrophobicContact CE1-CB 3.97Å; F160-F198 AromaticContact CE1-CD2 3.69Å; F160-F198 HydrophobicContact CE1-CD2 3.69Å; F160-F198 AromaticContact CE1-CE2 3.68Å; F160-F198 HydrophobicContact CE1-CE2 3.68Å; F160-F198 HydrophobicContact CZ-CD2 4.27Å; F160-F198 AromaticContact CZ-CE2 3.94Å; F160-F198 HydrophobicContact CZ-CE2 3.94Å; F160-I369 HydrophobicContact CE1-CD1 4.23Å; F160-I369 HydrophobicContact CE1-CG2 4.37Å; F160-I369 HydrophobicContact CZ-CD1 4.15Å
161F98.7Very high97.8Very high22 Ų2210.5 Ų10.510%0.0966%0.057CC..G310 helixtrans-61.2-24.1178.6-178.4-118.4000113.6L117 S159 F163 S164 E362 T365 Q366 I369L117-F161 HydrophobicContact CD2-CD2 3.54Å; L117-F161 HydrophobicContact CD2-CE2 4.1Å; L117-F161 HydrophobicContact CD2-CG 4.36Å; S159-F161 PolarHBondContact O-N 3.02Å; S159-F161 VanDerWaalsContact OG-CB 3.24Å; S159-F161 WeakPolarHBondContact OG-CB 3.45Å; S159-F161 PolarHBondContact OG-N 3.39Å; S159-F161 VanDerWaalsContact OG-N 3.16Å; F161-F163 PolarHBondContact O-N 2.88Å; F161-F163 VanDerWaalsContact O-N 3.11Å; F161-S164 VanDerWaalsContact O-CB 3.22Å; F161-S164 WeakPolarHBondContact O-CB 3.46Å; F161-S164 PolarHBondContact O-N 2.85Å; F161-S164 PolarHBondContact O-OG 2.83Å; F161-E362 HydrophobicContact CE1-CB 4.23Å; F161-E362 HydrophobicContact CE1-CG 4.48Å; F161-E362 WeakPolarHBondContact CE1-O 3.42Å; F161-E362 HydrophobicContact CZ-CB 4.41Å; F161-E362 HydrophobicContact CZ-CG 4.2Å; F161-T365 HydrophobicContact CD1-CG2 4.39Å; F161-T365 HydrophobicContact CD2-CG2 4.33Å; F161-T365 HydrophobicContact CE1-CG2 4.15Å; F161-T365 HydrophobicContact CE2-CG2 4.08Å; F161-T365 HydrophobicContact CG-CG2 4.48Å; F161-T365 HydrophobicContact CZ-CG2 3.98Å; F161-Q366 HydrophobicContact CD1-CB 4.31Å; F161-I369 HydrophobicContact CB-CD1 3.6Å; F161-I369 HydrophobicContact CG-CD1 4.15Å
162E98.5Very high97.5Very high1 Ų111.4 Ų11.41%0.0056%0.061CC..G310 helixtrans-53.1-33.7173.4-161.3178.7122.600112.3S158 S159 F160 S233 A442 L443S158-E162 WeakPolarHBondContact CB-OE2 3.4Å; S158-E162 WeakPolarHBondContact OG-CB 3.39Å; S158-E162 PolarHBondContact OG-OE2 2.71Å; S159-E162 WeakPolarHBondContact O-CB 3.49Å; S159-E162 PolarHBondContact O-N 2.8Å; S159-E162 VanDerWaalsContact O-N 3.09Å; F160-E162 PolarHBondContact O-N 3Å; E162-S233 WeakPolarHBondContact OE1-CB 3.37Å; E162-S233 PolarHBondContact OE1-OG 3.4Å; E162-A442 HydrophobicContact CG-CB 4.29Å; E162-A442 CarbonylContact O-C 3.35Å; E162-L443 HydrophobicContact CG-CB 4.17Å; E162-L443 PolarHBondContact O-N 3.39Å
163F98.7Very high97.1Very high0 Ų011.3 Ų11.30%06%0.061CC..G310 helixtrans-931-176.9-55.5-65.6000113.5L152 H154 F160 F161 K165 I166 I167 V190 H231 A442L152-F163 HydrophobicContact CB-CD1 4.19Å; L152-F163 HydrophobicContact CB-CD2 4.02Å; L152-F163 HydrophobicContact CB-CE1 4.17Å; L152-F163 HydrophobicContact CB-CE2 3.95Å; L152-F163 HydrophobicContact CB-CG 4.11Å; L152-F163 HydrophobicContact CB-CZ 4.05Å; L152-F163 HydrophobicContact CD1-CB 4Å; L152-F163 HydrophobicContact CD1-CD1 3.92Å; L152-F163 HydrophobicContact CD1-CG 3.92Å; H154-F163 HydrophobicContact CB-CE2 3.73Å; H154-F163 HydrophobicContact CB-CZ 4.37Å; F160-F163 PolarHBondContact O-N 3.14Å; F160-F163 VanDerWaalsContact O-N 3.14Å; F161-F163 PolarHBondContact O-N 2.88Å; F161-F163 VanDerWaalsContact O-N 3.11Å; F163-K165 PolarHBondContact O-N 2.98Å; F163-I166 HydrophobicContact CB-CG2 3.9Å; F163-I166 HydrophobicContact CD1-CG2 3.98Å; F163-I166 HydrophobicContact CG-CG2 4.43Å; F163-I166 WeakPolarHBondContact O-CG2 3.43Å; F163-I166 PolarHBondContact O-N 3.12Å; F163-I166 VanDerWaalsContact O-N 3.09Å; F163-I167 HydrophobicContact CB-CD1 4.32Å; F163-I167 HydrophobicContact CB-CG1 4.32Å; F163-I167 WeakPolarHBondContact O-CD1 3.46Å; F163-I167 VanDerWaalsContact O-CG1 3.24Å; F163-I167 WeakPolarHBondContact O-CG1 3.25Å; F163-I167 PolarHBondContact O-N 3.36Å; F163-V190 HydrophobicContact CB-CG1 4.39Å; F163-V190 HydrophobicContact CB-CG2 4.32Å; F163-V190 HydrophobicContact CD2-CG1 3.44Å; F163-V190 VanDerWaalsContact CD2-CG1 3.44Å; F163-V190 HydrophobicContact CE2-CG1 4.11Å; F163-V190 HydrophobicContact CG-CG1 4.29Å; F163-H231 AromaticContact CE1-CD2 3.79Å; F163-A442 HydrophobicContact CD1-CB 3.62Å; F163-A442 HydrophobicContact CE1-CB 3.92Å
164S98.2Very high96.4Very high17 Ų1716.5 Ų16.512%0.1199%0.086CC..THydrogen-bonded Turntrans-54-40-176.7580000112.8F120 F161 P168F120-S164 WeakPolarHBondContact CZ-O 3.44Å; F161-S164 VanDerWaalsContact O-CB 3.22Å; F161-S164 WeakPolarHBondContact O-CB 3.46Å; F161-S164 PolarHBondContact O-N 2.85Å; F161-S164 PolarHBondContact O-OG 2.83Å; S164-P168 VanDerWaalsContact O-CD 3.28Å; S164-P168 WeakPolarHBondContact O-CD 3.22Å
165K97.1Very high95.4Very high64 Ų6426.3 Ų26.328%0.27812%0.123SC..THydrogen-bonded Turntrans-80.4-27.8179.7-60.6-179.5-174.7170.60114F163 E362 L443 P446F163-K165 PolarHBondContact O-N 2.98Å; K165-E362 WeakPolarHBondContact CE-OE1 3.41Å; K165-E362 VanDerWaalsContact NZ-CD 3.29Å; K165-E362 IonicContact NZ-OE1 3.7Å; K165-E362 PolarHBondContact NZ-OE1 3.47Å; K165-E362 IonicContact NZ-OE2 2.84Å; K165-E362 PolarHBondContact NZ-OE2 3.27Å; K165-L443 HydrophobicContact CD-CD1 4.06Å; K165-L443 HydrophobicContact CG-CD1 4.35Å; K165-L443 PolarHBondContact NZ-O 2.76Å; K165-P446 HydrophobicContact CB-CB 3.85Å; K165-P446 HydrophobicContact CB-CG 3.75Å; K165-P446 HydrophobicContact CD-CG 4.14Å
166I97Very high93.7Very high1 Ų127.7 Ų27.71%0.00513%0.131CC..THydrogen-bonded Turntrans-86.2-29.6-177.5-155.3176.4000112.5L152 F163 L169 L170 A442 P446 L449 A450 L453L152-I166 HydrophobicContact CD1-CG2 4.17Å; F163-I166 HydrophobicContact CB-CG2 3.9Å; F163-I166 HydrophobicContact CD1-CG2 3.98Å; F163-I166 HydrophobicContact CG-CG2 4.43Å; F163-I166 WeakPolarHBondContact O-CG2 3.43Å; F163-I166 PolarHBondContact O-N 3.12Å; F163-I166 VanDerWaalsContact O-N 3.09Å; I166-L169 HydrophobicContact CG1-CD1 4.46Å; I166-L169 WeakPolarHBondContact O-CA 2.97Å; I166-L169 WeakPolarHBondContact O-CB 3.48Å; I166-L169 PolarHBondContact O-N 3.31Å; I166-L170 HydrophobicContact CD1-CD1 4.48Å; I166-L170 HydrophobicContact CG1-CD1 4.29Å; I166-L170 HydrophobicContact CG1-CD2 4.48Å; I166-L170 HydrophobicContact CG1-CG 4.13Å; I166-L170 HydrophobicContact CG2-CD1 4.35Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 3.3Å; I166-L170 VanDerWaalsContact O-N 3.09Å; I166-A442 HydrophobicContact CG2-CB 4.28Å; I166-P446 HydrophobicContact CB-CB 4.25Å; I166-L449 HydrophobicContact CD1-CB 3.91Å; I166-L449 HydrophobicContact CD1-CD2 3.88Å; I166-L449 HydrophobicContact CD1-CG 3.85Å; I166-A450 HydrophobicContact CD1-CB 4.17Å; I166-A450 HydrophobicContact CG1-CB 3.97Å; I166-L453 HydrophobicContact CD1-CD1 4.12Å
167I97.8Very high91.8Very high1 Ų137 Ų371%0.00518%0.175CC..Hα-helixtrans-51.1-50.7179.9-70.9158.1000111.9F120 I135 Q137 F163 L169 L170 I171 V188 V190F120-I167 HydrophobicContact CD1-CD1 4.03Å; F120-I167 HydrophobicContact CD1-CG2 4.12Å; F120-I167 HydrophobicContact CE1-CB 4Å; F120-I167 HydrophobicContact CE1-CD1 3.82Å; F120-I167 HydrophobicContact CE1-CG2 3.86Å; F120-I167 HydrophobicContact CZ-CD1 4.21Å; I135-I167 HydrophobicContact CD1-CD1 4.39Å; Q137-I167 HydrophobicContact CB-CG2 3.96Å; Q137-I167 HydrophobicContact CG-CG2 3.91Å; F163-I167 HydrophobicContact CB-CD1 4.32Å; F163-I167 HydrophobicContact CB-CG1 4.32Å; F163-I167 WeakPolarHBondContact O-CD1 3.46Å; F163-I167 VanDerWaalsContact O-CG1 3.24Å; F163-I167 WeakPolarHBondContact O-CG1 3.25Å; F163-I167 PolarHBondContact O-N 3.36Å; I167-L169 PolarHBondContact O-N 3.47Å; I167-L170 PolarHBondContact O-N 3.22Å; I167-L170 VanDerWaalsContact O-N 3.13Å; I167-I171 HydrophobicContact CG2-CG2 4.4Å; I167-I171 WeakPolarHBondContact O-CG1 3.28Å; I167-I171 PolarHBondContact O-N 3.37Å; I167-I171 VanDerWaalsContact O-N 3.11Å; I167-V188 HydrophobicContact CG1-CG1 4.09Å; I167-V190 HydrophobicContact CD1-CG2 3.84Å; I167-V190 HydrophobicContact CG1-CG2 4.05Å
168P96Very high89.8Confident62 Ų6238.6 Ų38.640%0.40319%0.185SC..Hα-helixtrans-59-34.3178.2-24.935.6000113.7S164 L170 D172S164-P168 VanDerWaalsContact O-CD 3.28Å; S164-P168 WeakPolarHBondContact O-CD 3.22Å; P168-L170 VanDerWaalsContact C-N 3.35Å; P168-D172 PolarHBondContact O-N 2.84Å
169L95.5Very high87.7Confident17 Ų1746 Ų469%0.08923%0.225CC..Hα-helixtrans-69.8-33.6178.8-49.6-177.2000112.2I166 I167 P173 T176 P446 Q447 A450 F454I166-L169 HydrophobicContact CG1-CD1 4.46Å; I166-L169 WeakPolarHBondContact O-CA 2.97Å; I166-L169 WeakPolarHBondContact O-CB 3.48Å; I166-L169 PolarHBondContact O-N 3.31Å; I167-L169 PolarHBondContact O-N 3.47Å; L169-P173 WeakPolarHBondContact O-CA 3.36Å; L169-T176 HydrophobicContact CD2-CG2 3.41Å; L169-T176 VanDerWaalsContact CD2-CG2 3.41Å; L169-P446 HydrophobicContact CD1-CB 3.93Å; L169-P446 WeakPolarHBondContact CD1-O 3.09Å; L169-Q447 HydrophobicContact CD1-CG 4.18Å; L169-A450 HydrophobicContact CB-CB 3.93Å; L169-A450 HydrophobicContact CD1-CB 3.89Å; L169-F454 WeakPolarHBondContact O-CZ 3.37Å
170L96.1Very high85.8Confident0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-80.9-35.2-177.9-63.5-178.1000112.7L152 I166 I167 P168 F186 V188 A450 L453 F454L152-L170 HydrophobicContact CD1-CD1 4.04Å; L152-L170 HydrophobicContact CD2-CD1 4.31Å; I166-L170 HydrophobicContact CD1-CD1 4.48Å; I166-L170 HydrophobicContact CG1-CD1 4.29Å; I166-L170 HydrophobicContact CG1-CD2 4.48Å; I166-L170 HydrophobicContact CG1-CG 4.13Å; I166-L170 HydrophobicContact CG2-CD1 4.35Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 3.3Å; I166-L170 VanDerWaalsContact O-N 3.09Å; I167-L170 PolarHBondContact O-N 3.22Å; I167-L170 VanDerWaalsContact O-N 3.13Å; P168-L170 VanDerWaalsContact C-N 3.35Å; L170-F186 HydrophobicContact CB-CB 4.19Å; L170-F186 HydrophobicContact CB-CD2 3.87Å; L170-F186 HydrophobicContact CB-CG 4.44Å; L170-F186 HydrophobicContact CD2-CD2 3.84Å; L170-F186 HydrophobicContact CD2-CE2 3.88Å; L170-F186 HydrophobicContact CG-CD2 4.32Å; L170-F186 PolarHBondContact O-N 2.97Å; L170-V188 HydrophobicContact CB-CG2 3.71Å; L170-V188 HydrophobicContact CD1-CG2 4.18Å; L170-A450 HydrophobicContact CD2-CB 4.19Å; L170-L453 HydrophobicContact CD1-CD1 4.36Å; L170-L453 HydrophobicContact CD2-CD1 4.11Å; L170-F454 HydrophobicContact CD2-CE2 4.11Å; L170-F454 HydrophobicContact CD2-CZ 4.04Å
171I96.1Very high84.1Confident26 Ų2651.3 Ų51.313%0.13326%0.262CS..Hα-helixtrans-84.7-24.2-177.870176.7000113.4Q137 P139 P140 I167 V188Q137-I171 HydrophobicContact CB-CD1 4.34Å; Q137-I171 HydrophobicContact CB-CG2 4.01Å; P139-I171 VanDerWaalsContact CA-O 3.28Å; P139-I171 WeakPolarHBondContact CA-O 3.47Å; P139-I171 WeakPolarHBondContact CB-O 3.23Å; P140-I171 VanDerWaalsContact CD-O 3.23Å; P140-I171 WeakPolarHBondContact CD-O 3.08Å; I167-I171 HydrophobicContact CG2-CG2 4.4Å; I167-I171 WeakPolarHBondContact O-CG1 3.28Å; I167-I171 PolarHBondContact O-N 3.37Å; I167-I171 VanDerWaalsContact O-N 3.11Å; I171-V188 HydrophobicContact CG2-CB 4.21Å; I171-V188 HydrophobicContact CG2-CG2 3.67Å
172D93.9Very high82.9Confident18 Ų1853.8 Ų53.810%0.09629%0.294CS..  trans-141.865.3179.3-168.7-6.1000112P140 K143 Y144 P168 M174 R175P140-D172 HydrophobicContact CG-CB 4.18Å; K143-D172 WeakPolarHBondContact CE-OD1 3.38Å; K143-D172 VanDerWaalsContact NZ-CG 3.26Å; K143-D172 IonicContact NZ-OD1 2.65Å; K143-D172 PolarHBondContact NZ-OD1 2.8Å; K143-D172 IonicContact NZ-OD2 2.93Å; K143-D172 PolarHBondContact NZ-OD2 3.02Å; Y144-D172 WeakPolarHBondContact OH-CA 3.41Å; Y144-D172 PolarHBondContact OH-OD1 3.33Å; P168-D172 PolarHBondContact O-N 2.84Å; D172-M174 PolarHBondContact O-N 3.15Å; D172-M174 VanDerWaalsContact O-N 3.1Å; D172-R175 HydrophobicContact CB-CB 4.27Å; D172-R175 VanDerWaalsContact CG-CB 3.43Å; D172-R175 PolarHBondContact O-N 3.14Å; D172-R175 VanDerWaalsContact O-N 3.12Å; D172-R175 WeakPolarHBondContact OD1-CB 3.48Å; D172-R175 PolarHBondContact OD1-N 3.35Å; D172-R175 WeakPolarHBondContact OD2-CB 3.28Å
173P90.9Very high82.1Confident0 Ų055.8 Ų55.80%030%0.302CS..THydrogen-bonded Turntrans-62.5-18.5-176.721.9-33.6000115.1Y144 L169 T176 T178 A180 A185 F454Y144-P173 HydrophobicContact CE1-CG 3.79Å; Y144-P173 VanDerWaalsContact OH-CD 3.25Å; Y144-P173 WeakPolarHBondContact OH-CD 3.46Å; L169-P173 WeakPolarHBondContact O-CA 3.36Å; P173-T176 WeakPolarHBondContact CA-OG1 3.34Å; P173-T176 PolarHBondContact O-OG1 2.59Å; P173-T178 PolarHBondContact O-OG1 3.26Å; P173-T178 VanDerWaalsContact O-OG1 3.04Å; P173-A180 HydrophobicContact CB-CB 3.92Å; P173-A180 WeakPolarHBondContact O-CB 3.17Å; P173-A185 HydrophobicContact CG-CB 4.49Å; P173-F454 HydrophobicContact CB-CE1 4.18Å; P173-F454 HydrophobicContact CB-CE2 3.77Å; P173-F454 HydrophobicContact CB-CZ 3.51Å; P173-F454 HydrophobicContact CG-CE1 4.06Å; P173-F454 HydrophobicContact CG-CE2 4.49Å; P173-F454 HydrophobicContact CG-CZ 3.74Å
174M82.2Confident81.7Confident108 Ų10856.2 Ų56.253%0.53231%0.305SS..THydrogen-bonded Turntrans-80.5-24.7178.9-74.5177.67100112Y144 D172Y144-M174 HydrophobicContact CE1-CB 4.49Å; Y144-M174 HydrophobicContact CE1-CG 3.79Å; Y144-M174 HydrophobicContact CE1-SD 3.86Å; Y144-M174 WeakPolarHBondContact OH-CB 3.23Å; Y144-M174 PolarHBondContact OH-N 3.21Å; D172-M174 PolarHBondContact O-N 3.15Å; D172-M174 VanDerWaalsContact O-N 3.1Å
175R77.9Confident81.5Confident206 Ų20655.4 Ų55.478%0.77730%0.3SS*.THydrogen-bonded Turntrans-75.7-17.6175-177.9174.7175.2-178.8-1.9111.9D172D172-R175 HydrophobicContact CB-CB 4.27Å; D172-R175 VanDerWaalsContact CG-CB 3.43Å; D172-R175 PolarHBondContact O-N 3.14Å; D172-R175 VanDerWaalsContact O-N 3.12Å; D172-R175 WeakPolarHBondContact OD1-CB 3.48Å; D172-R175 PolarHBondContact OD1-N 3.35Å; D172-R175 WeakPolarHBondContact OD2-CB 3.28Å
176T63.1Low81.5Confident30 Ų3052.3 Ų52.318%0.18429%0.286CS..SBendtrans-101.2147.8-173.256.30000110.2L169 P173 T178L169-T176 HydrophobicContact CD2-CG2 3.41Å; L169-T176 VanDerWaalsContact CD2-CG2 3.41Å; P173-T176 WeakPolarHBondContact CA-OG1 3.34Å; P173-T176 PolarHBondContact O-OG1 2.59Å; T176-T178 PolarHBondContact O-N 3.39Å; T176-T178 PolarHBondContact O-OG1 3.33Å; T176-T178 PolarHBondContact OG1-OG1 3.31Å
177E58Low81.6Confident199 Ų19953.5 Ų53.593%0.9329%0.292SS*.THydrogen-bonded Turntrans-62.614-176.7-62.4-176.5173.700114.7N179E177-N179 PolarHBondContact O-N 2.89Å
178T56.3Low81.6Confident34 Ų3453.5 Ų53.521%0.20929%0.292CS..THydrogen-bonded Turntrans-70.26.7-179.339.60000114.5P173 T176 A180P173-T178 PolarHBondContact O-OG1 3.26Å; P173-T178 VanDerWaalsContact O-OG1 3.04Å; T176-T178 PolarHBondContact O-N 3.39Å; T176-T178 PolarHBondContact O-OG1 3.33Å; T176-T178 PolarHBondContact OG1-OG1 3.31Å; T178-A180 PolarHBondContact O-N 3.03Å
179N53.3Low81.8Confident158 Ų15850.5 Ų50.585%0.84527%0.272SS*.THydrogen-bonded Turntrans46.237-175.8-79.2-24.2000112.8E177 S181E177-N179 PolarHBondContact O-N 2.89Å; N179-S181 VanDerWaalsContact C-N 3.26Å; N179-S181 PolarHBondContact O-N 3.05Å; N179-S181 VanDerWaalsContact O-N 3.08Å
180A57.4Low81.9Confident5 Ų549.7 Ų49.74%0.04127%0.268CS..  trans-86.932.5-162.400000114.1P173 T178 G182 F183P173-A180 HydrophobicContact CB-CB 3.92Å; P173-A180 WeakPolarHBondContact O-CB 3.17Å; T178-A180 PolarHBondContact O-N 3.03Å; A180-G182 PolarHBondContact O-N 3.21Å; A180-F183 HydrophobicContact CB-CB 4.08Å; A180-F183 HydrophobicContact CB-CD2 3.19Å; A180-F183 HydrophobicContact CB-CE2 3.77Å; A180-F183 HydrophobicContact CB-CG 3.87Å; A180-F183 PolarHBondContact O-N 3.36Å
181S63.5Low82Confident109 Ų10949.7 Ų49.776%0.76227%0.268SS*.THydrogen-bonded Turntrans-61.4119.2176.177.80000109N179N179-S181 VanDerWaalsContact C-N 3.26Å; N179-S181 PolarHBondContact O-N 3.05Å; N179-S181 VanDerWaalsContact O-N 3.08Å
182G73Confident82.2Confident73 Ų7348.5 Ų48.575%0.75326%0.262SS*.THydrogen-bonded Turntrans910.5-177.700000115.6A180A180-G182 PolarHBondContact O-N 3.21Å
183F81.7Confident82.4Confident43 Ų4347.6 Ų47.619%0.18926%0.257CS..PPolyproline II helixtrans-73.1141.7167.7-68.8-14.6000110.9A180 F454 N458A180-F183 HydrophobicContact CB-CB 4.08Å; A180-F183 HydrophobicContact CB-CD2 3.19Å; A180-F183 HydrophobicContact CB-CE2 3.77Å; A180-F183 HydrophobicContact CB-CG 3.87Å; A180-F183 PolarHBondContact O-N 3.36Å; F183-F454 HydrophobicContact CB-CD1 4.02Å; F183-F454 HydrophobicContact CB-CE1 4.47Å; F183-F454 HydrophobicContact CB-CG 4.33Å; F183-F454 HydrophobicContact CD1-CB 4.43Å; F183-F454 HydrophobicContact CD2-CB 3.6Å; F183-F454 HydrophobicContact CD2-CD1 4.22Å; F183-F454 AromaticContact CD2-CD2 3.95Å; F183-F454 HydrophobicContact CD2-CD2 3.95Å; F183-F454 AromaticContact CD2-CG 3.67Å; F183-F454 HydrophobicContact CD2-CG 3.67Å; F183-F454 HydrophobicContact CE2-CB 3.8Å; F183-F454 HydrophobicContact CE2-CD2 4.43Å; F183-F454 HydrophobicContact CE2-CG 4.26Å; F183-F454 HydrophobicContact CG-CB 3.98Å; F183-F454 HydrophobicContact CG-CD1 4.28Å; F183-F454 HydrophobicContact CG-CG 4.12Å; F183-F454 HydrophobicContact CZ-CB 4.29Å; F183-N458 VanDerWaalsContact CD1-ND2 3.26Å; F183-N458 WeakPolarHBondContact CD1-ND2 3.38Å; F183-N458 WeakPolarHBondContact CE1-ND2 3.48Å
184P90.9Very high82.8Confident9 Ų947.8 Ų47.86%0.05826%0.258CS..PPolyproline II helixtrans-64.9161.2168.331.6-35.2000109.7R146 Y148 F454 V457R146-P184 HydrophobicContact CB-CB 3.89Å; R146-P184 WeakPolarHBondContact O-CA 3.12Å; R146-P184 WeakPolarHBondContact O-CB 3.4Å; Y148-P184 HydrophobicContact CD2-CB 3.63Å; Y148-P184 HydrophobicContact CD2-CG 3.84Å; Y148-P184 HydrophobicContact CE2-CB 3.61Å; Y148-P184 HydrophobicContact CE2-CG 3.78Å; P184-F454 WeakPolarHBondContact O-CE1 3.39Å; P184-V457 HydrophobicContact CG-CG1 3.69Å
185A94.2Very high83.5Confident0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-96.7166.416500000110.7P139 Y144 R146 V147 Y148 P173P139-A185 HydrophobicContact CB-CB 3.7Å; P139-A185 HydrophobicContact CG-CB 4.29Å; Y144-A185 HydrophobicContact CD1-CB 3.83Å; Y144-A185 HydrophobicContact CD2-CB 3.46Å; Y144-A185 VanDerWaalsContact CD2-CB 3.46Å; Y144-A185 HydrophobicContact CE1-CB 4.11Å; Y144-A185 HydrophobicContact CE2-CB 3.77Å; Y144-A185 HydrophobicContact CG-CB 3.5Å; R146-A185 PolarHBondContact O-N 3.36Å; V147-A185 VanDerWaalsContact CA-O 3.29Å; V147-A185 WeakPolarHBondContact CA-O 3.42Å; Y148-A185 PolarHBondContact N-O 2.81Å; P173-A185 HydrophobicContact CG-CB 4.49Å
186F96.9Very high84.5Confident0 Ų032.9 Ų32.90%020%0.197CC..EExtended strand (participates in β ladder)trans-109.6143.4172.2-67.2-80.6000112.1P139 Y148 I150 L170 V188 F229 F454 V457P139-F186 WeakPolarHBondContact CD-O 3.47Å; Y148-F186 CarbonylContact O-C 3.59Å; Y148-F186 WeakPolarHBondContact O-CA 3.34Å; Y148-F186 WeakPolarHBondContact O-CD1 3.36Å; I150-F186 HydrophobicContact CB-CD1 3.65Å; I150-F186 HydrophobicContact CB-CE1 4.07Å; I150-F186 HydrophobicContact CB-CG 4.32Å; I150-F186 HydrophobicContact CD1-CD1 4.28Å; I150-F186 HydrophobicContact CD1-CE1 4Å; I150-F186 HydrophobicContact CD1-CZ 4.27Å; I150-F186 HydrophobicContact CG2-CB 3.66Å; I150-F186 HydrophobicContact CG2-CD1 3.63Å; I150-F186 HydrophobicContact CG2-CE1 4.39Å; I150-F186 HydrophobicContact CG2-CG 3.77Å; L170-F186 HydrophobicContact CB-CB 4.19Å; L170-F186 HydrophobicContact CB-CD2 3.87Å; L170-F186 HydrophobicContact CB-CG 4.44Å; L170-F186 HydrophobicContact CD2-CD2 3.84Å; L170-F186 HydrophobicContact CD2-CE2 3.88Å; L170-F186 HydrophobicContact CG-CD2 4.32Å; L170-F186 PolarHBondContact O-N 2.97Å; F186-V188 HydrophobicContact CB-CG2 3.82Å; F186-F229 HydrophobicContact CE1-CD2 4.21Å; F186-F454 HydrophobicContact CD2-CD1 4.43Å; F186-F454 AromaticContact CD2-CE1 3.63Å; F186-F454 HydrophobicContact CD2-CE1 3.63Å; F186-F454 HydrophobicContact CD2-CZ 4.06Å; F186-F454 AromaticContact CE2-CD1 3.72Å; F186-F454 HydrophobicContact CE2-CD1 3.72Å; F186-F454 AromaticContact CE2-CE1 3.35Å; F186-F454 HydrophobicContact CE2-CE1 3.35Å; F186-F454 HydrophobicContact CE2-CZ 4.01Å; F186-F454 HydrophobicContact CZ-CE1 4.46Å; F186-V457 HydrophobicContact CE1-CG2 3.81Å; F186-V457 HydrophobicContact CZ-CB 4.49Å; F186-V457 HydrophobicContact CZ-CG2 3.43Å; F186-V457 VanDerWaalsContact CZ-CG2 3.43Å
187E98.3Very high86.2Confident26 Ų2631.7 Ų31.712%0.12119%0.19CC..EExtended strand (participates in β ladder)trans-90111.1152.6-174.8166.9175.500107.6R136 Q137 K138 V147 Y148 P149 I150 F225R136-E187 IonicContact CZ-OE1 2.7Å; R136-E187 IonicContact NE-OE1 3.94Å; R136-E187 PolarHBondContact NE-OE1 3.47Å; R136-E187 IonicContact NH2-OE1 3.12Å; R136-E187 PolarHBondContact NH2-OE1 3.49Å; R136-E187 IonicContact NH2-OE2 2.73Å; Q137-E187 CarbonylContact O-C 3.48Å; Q137-E187 WeakPolarHBondContact O-CA 3.29Å; K138-E187 WeakPolarHBondContact CE-OE1 3.31Å; K138-E187 HydrophobicContact CG-CG 4.04Å; K138-E187 WeakPolarHBondContact CG-OE1 3.38Å; V147-E187 HydrophobicContact CG1-CB 4.05Å; Y148-E187 PolarHBondContact O-N 2.9Å; P149-E187 WeakPolarHBondContact CA-O 3.42Å; I150-E187 PolarHBondContact N-O 3.49Å; E187-F225 HydrophobicContact CB-CZ 4.45Å; E187-F225 VanDerWaalsContact CD-CZ 3.48Å; E187-F225 HydrophobicContact CG-CZ 3.95Å
188V98.8Very high88.1Confident0 Ų023.9 Ų23.90%015%0.153CC..EExtended strand (participates in β ladder)trans-95.3126.6-168.4178.70000110.1R136 Q137 I150 L152 I167 L170 I171 F186 V190R136-V188 CarbonylContact C-O 3.58Å; R136-V188 WeakPolarHBondContact CA-O 3.41Å; Q137-V188 PolarHBondContact N-O 3.35Å; Q137-V188 PolarHBondContact O-N 3.09Å; I150-V188 HydrophobicContact CG2-CB 4.26Å; I150-V188 HydrophobicContact CG2-CG1 4.42Å; I150-V188 HydrophobicContact CG2-CG2 3.81Å; L152-V188 HydrophobicContact CD1-CG1 3.65Å; L152-V188 HydrophobicContact CG-CG1 3.97Å; I167-V188 HydrophobicContact CG1-CG1 4.09Å; L170-V188 HydrophobicContact CB-CG2 3.71Å; L170-V188 HydrophobicContact CD1-CG2 4.18Å; I171-V188 HydrophobicContact CG2-CB 4.21Å; I171-V188 HydrophobicContact CG2-CG2 3.67Å; F186-V188 HydrophobicContact CB-CG2 3.82Å; V188-V190 HydrophobicContact CG1-CG2 3.76Å
189V99Very high90.2Very high0 Ų022.5 Ų22.50%015%0.145CC..EExtended strand (participates in β ladder)trans-110.7125.2166.7-179.10000108.3F134 I135 R136 I150 L151 L152 L219 M220 L223 F225F134-V189 HydrophobicContact CB-CG1 4.37Å; F134-V189 HydrophobicContact CD2-CG1 4.11Å; I135-V189 CarbonylContact O-C 3.59Å; I135-V189 VanDerWaalsContact O-CA 3.26Å; I135-V189 WeakPolarHBondContact O-CA 3.41Å; R136-V189 HydrophobicContact CG-CG2 4.5Å; I150-V189 PolarHBondContact O-N 2.96Å; L151-V189 CarbonylContact C-O 3.6Å; L151-V189 WeakPolarHBondContact CA-O 3.44Å; L151-V189 HydrophobicContact CD1-CB 4.24Å; L151-V189 HydrophobicContact CD1-CG1 3.91Å; L152-V189 PolarHBondContact N-O 2.96Å; V189-L219 HydrophobicContact CG1-CD2 4.43Å; V189-M220 HydrophobicContact CB-SD 4.11Å; V189-M220 HydrophobicContact CG1-SD 4.13Å; V189-M220 HydrophobicContact CG2-CE 4.36Å; V189-M220 HydrophobicContact CG2-SD 4.11Å; V189-L223 HydrophobicContact CG1-CD1 4.01Å; V189-L223 HydrophobicContact CG2-CD1 3.78Å; V189-F225 HydrophobicContact CG2-CD2 4.45Å; V189-F225 HydrophobicContact CG2-CE2 3.92Å
190V98.9Very high92.3Very high0 Ų018 Ų180%012%0.118CC..EExtended strand (participates in β ladder)trans-117.1108.2173.2-172.40000108.7F134 I135 L152 F160 F163 I167 V188F134-V190 CarbonylContact C-O 3.5Å; F134-V190 WeakPolarHBondContact CA-O 3.47Å; F134-V190 WeakPolarHBondContact CB-O 3.27Å; I135-V190 HydrophobicContact CB-CB 4.16Å; I135-V190 PolarHBondContact N-O 2.82Å; I135-V190 PolarHBondContact O-N 3.27Å; L152-V190 HydrophobicContact CB-CG1 4.42Å; L152-V190 HydrophobicContact CB-CG2 4.05Å; L152-V190 HydrophobicContact CD1-CG2 3.9Å; L152-V190 HydrophobicContact CG-CG2 4.21Å; L152-V190 WeakPolarHBondContact O-CA 3.1Å; F160-V190 HydrophobicContact CB-CG1 3.76Å; F163-V190 HydrophobicContact CB-CG1 4.39Å; F163-V190 HydrophobicContact CB-CG2 4.32Å; F163-V190 HydrophobicContact CD2-CG1 3.44Å; F163-V190 VanDerWaalsContact CD2-CG1 3.44Å; F163-V190 HydrophobicContact CE2-CG1 4.11Å; F163-V190 HydrophobicContact CG-CG1 4.29Å; I167-V190 HydrophobicContact CD1-CG2 3.84Å; I167-V190 HydrophobicContact CG1-CG2 4.05Å; V188-V190 HydrophobicContact CG1-CG2 3.76Å
191A98.8Very high94.2Very high0 Ų018.7 Ų18.70%012%0.124CC..EExtended strand (participates in β ladder)trans-96.4136.1-176.400000111.3F134 L151 L152 F216 L219F134-A191 HydrophobicContact CB-CB 4.34Å; L151-A191 HydrophobicContact CD1-CB 3.96Å; L152-A191 PolarHBondContact O-N 3.44Å; A191-F216 HydrophobicContact CB-CD1 4.06Å; A191-F216 HydrophobicContact CB-CD2 4.34Å; A191-F216 HydrophobicContact CB-CE1 3.63Å; A191-F216 HydrophobicContact CB-CE2 3.94Å; A191-F216 HydrophobicContact CB-CG 4.4Å; A191-F216 HydrophobicContact CB-CZ 3.56Å; A191-L219 HydrophobicContact CB-CD2 3.94Å
192S98.8Very high95.9Very high0 Ų014.6 Ų14.60%010%0.095CC..PPolyproline II helixtrans-82130.5169.9-66.10000110.4H133 H154 S199H133-S192 PolarHBondContact ND1-OG 2.73Å; H133-S192 PolarHBondContact O-N 3.38Å; H154-S192 WeakPolarHBondContact NE2-CA 3.45Å; S192-S199 WeakPolarHBondContact CB-OG 3.35Å; S192-S199 WeakPolarHBondContact O-CB 3.39Å; S192-S199 PolarHBondContact O-OG 3.19Å
193L98.8Very high97Very high0 Ų018.1 Ų18.10%09%0.086CC..PPolyproline II helixtrans-56.1145.6176.5-62.5173.5000110.8V153 H154 G195 H196 S199 T212 F216 W235 V239V153-L193 HydrophobicContact CG1-CD2 3.63Å; V153-L193 HydrophobicContact CG1-CG 4.42Å; H154-L193 PolarHBondContact NE2-N 3.37Å; H154-L193 WeakPolarHBondContact O-CD1 3.41Å; L193-G195 PolarHBondContact O-N 3.36Å; L193-H196 HydrophobicContact CB-CB 3.98Å; L193-H196 WeakPolarHBondContact O-CB 3.44Å; L193-H196 PolarHBondContact O-N 3.45Å; L193-S199 VanDerWaalsContact O-CB 3.28Å; L193-S199 WeakPolarHBondContact O-CB 3.04Å; L193-T212 HydrophobicContact CD2-CG2 3.82Å; L193-F216 HydrophobicContact CD2-CE2 4.05Å; L193-F216 HydrophobicContact CD2-CZ 4.25Å; L193-W235 HydrophobicContact CD1-CB 3.97Å; L193-V239 HydrophobicContact CD2-CG2 4.11Å
194P98.5Very high97.7Very high3 Ų320.2 Ų20.22%0.01910%0.095CC..THydrogen-bonded Turntrans-47.8129.9169.3-3036.8000111.8L130 I132 H196 P202 T212 I215L130-P194 HydrophobicContact CD1-CB 4Å; L130-P194 HydrophobicContact CD1-CG 4.37Å; I132-P194 HydrophobicContact CD1-CG 4.32Å; P194-H196 VanDerWaalsContact C-N 3.26Å; P194-H196 PolarHBondContact O-N 3.24Å; P194-H196 PolarHBondContact O-ND1 2.85Å; P194-H196 VanDerWaalsContact O-ND1 3.15Å; P194-P202 HydrophobicContact CB-CG 3.92Å; P194-T212 HydrophobicContact CG-CG2 4.32Å; P194-I215 HydrophobicContact CG-CD1 4.16Å
195G98.1Very high97.9Very high1 Ų128.5 Ų28.51%0.0113%0.13CC..THydrogen-bonded Turntrans7013.8-175.700000116.1L193 E200 S379L193-G195 PolarHBondContact O-N 3.36Å; G195-E200 PolarHBondContact N-O 3.24Å; G195-S379 PolarHBondContact O-N 3.26Å
196H98.6Very high97.8Very high1 Ų129.7 Ų29.71%0.00514%0.142CC..SBendtrans-120.5145.5172.9-64.165.5000111.1L193 P194 F198 S199 S379L193-H196 HydrophobicContact CB-CB 3.98Å; L193-H196 WeakPolarHBondContact O-CB 3.44Å; L193-H196 PolarHBondContact O-N 3.45Å; P194-H196 VanDerWaalsContact C-N 3.26Å; P194-H196 PolarHBondContact O-N 3.24Å; P194-H196 PolarHBondContact O-ND1 2.85Å; P194-H196 VanDerWaalsContact O-ND1 3.15Å; H196-F198 PolarHBondContact O-N 2.86Å; H196-S199 PolarHBondContact O-N 2.77Å; H196-S379 VanDerWaalsContact CE1-CA 3.48Å; H196-S379 WeakPolarHBondContact CE1-CA 3.23Å; H196-S379 VanDerWaalsContact NE2-CB 3.35Å; H196-S379 WeakPolarHBondContact NE2-CB 3.49Å
197A98.3Very high97.7Very high5 Ų530 Ų304%0.04114%0.144CC..THydrogen-bonded Turntrans47.2-123.2-178.400000111F160 I369 T373 C375F160-A197 HydrophobicContact CD1-CB 3.84Å; F160-A197 HydrophobicContact CE1-CB 3.97Å; A197-I369 HydrophobicContact CB-CG2 3.67Å; A197-T373 WeakPolarHBondContact O-CB 2.76Å; A197-T373 WeakPolarHBondContact O-CG2 3.2Å; A197-T373 PolarHBondContact O-OG1 3.08Å; A197-C375 PolarHBondContact N-SG 3.1Å
198F98.6Very high97.5Very high34 Ų3428.7 Ų28.715%0.14914%0.138CC..THydrogen-bonded Turntrans-93.33.5-176.4-58.2-81.4000114F58 I60 I62 H133 F160 H196 T373F58-F198 HydrophobicContact CE1-CB 4.06Å; F58-F198 AromaticContact CE1-CD1 3.85Å; F58-F198 HydrophobicContact CE1-CD1 3.85Å; F58-F198 HydrophobicContact CE1-CD2 4.35Å; F58-F198 HydrophobicContact CE1-CE1 4.41Å; F58-F198 AromaticContact CE1-CG 3.82Å; F58-F198 HydrophobicContact CE1-CG 3.82Å; F58-F198 HydrophobicContact CZ-CB 4.11Å; F58-F198 AromaticContact CZ-CD1 3.64Å; F58-F198 HydrophobicContact CZ-CD1 3.64Å; F58-F198 HydrophobicContact CZ-CE1 4.31Å; F58-F198 AromaticContact CZ-CG 3.99Å; F58-F198 HydrophobicContact CZ-CG 3.99Å; I60-F198 HydrophobicContact CB-CZ 4.19Å; I60-F198 HydrophobicContact CD1-CD2 4.32Å; I60-F198 HydrophobicContact CD1-CE2 3.54Å; I60-F198 HydrophobicContact CD1-CZ 3.84Å; I60-F198 HydrophobicContact CG1-CD2 4.29Å; I60-F198 HydrophobicContact CG1-CE1 4.16Å; I60-F198 HydrophobicContact CG1-CE2 3.69Å; I60-F198 HydrophobicContact CG1-CZ 3.63Å; I60-F198 HydrophobicContact CG2-CE1 4.01Å; I60-F198 HydrophobicContact CG2-CE2 4.38Å; I60-F198 HydrophobicContact CG2-CZ 3.55Å; I62-F198 HydrophobicContact CD1-CE1 4.44Å; H133-F198 VanDerWaalsContact CB-C 3.45Å; H133-F198 HydrophobicContact CB-CB 3.74Å; H133-F198 WeakPolarHBondContact CB-O 3.32Å; F160-F198 AromaticContact CE1-CD2 3.69Å; F160-F198 HydrophobicContact CE1-CD2 3.69Å; F160-F198 AromaticContact CE1-CE2 3.68Å; F160-F198 HydrophobicContact CE1-CE2 3.68Å; F160-F198 HydrophobicContact CZ-CD2 4.27Å; F160-F198 AromaticContact CZ-CE2 3.94Å; F160-F198 HydrophobicContact CZ-CE2 3.94Å; H196-F198 PolarHBondContact O-N 2.86Å; F198-T373 HydrophobicContact CD1-CG2 3.61Å; F198-T373 HydrophobicContact CD2-CG2 4.48Å; F198-T373 HydrophobicContact CE1-CG2 3.47Å; F198-T373 VanDerWaalsContact CE1-CG2 3.47Å; F198-T373 HydrophobicContact CE2-CG2 4.35Å; F198-T373 HydrophobicContact CG-CG2 4.12Å; F198-T373 HydrophobicContact CZ-CG2 3.85Å
199S98.8Very high97.2Very high6 Ų628.8 Ų28.84%0.04214%0.138CC..SBendtrans-79.9136.2171.4-78.20000110.4H133 S192 L193 H196H133-S199 PolarHBondContact N-OG 3.4Å; S192-S199 WeakPolarHBondContact CB-OG 3.35Å; S192-S199 WeakPolarHBondContact O-CB 3.39Å; S192-S199 PolarHBondContact O-OG 3.19Å; L193-S199 VanDerWaalsContact O-CB 3.28Å; L193-S199 WeakPolarHBondContact O-CB 3.04Å; H196-S199 PolarHBondContact O-N 2.77Å
200E98.2Very high96.9Very high62 Ų6229.4 Ų29.429%0.2914%0.142SC..PPolyproline II helixtrans-58.6141-178.1-173.3173.2-172.800112L130 S131 G195L130-E200 HydrophobicContact CD2-CB 4.46Å; L130-E200 HydrophobicContact CD2-CG 4.31Å; S131-E200 PolarHBondContact N-OE2 3.28Å; S131-E200 WeakPolarHBondContact O-CB 3.48Å; S131-E200 PolarHBondContact O-N 3.14Å; G195-E200 PolarHBondContact N-O 3.24Å
201A97.9Very high96.7Very high21 Ų2129.5 Ų29.517%0.17414%0.143CC..PPolyproline II helixtrans-76.9129.5177.300000111.5R203 P378A201-R203 PolarHBondContact O-N 2.82Å; A201-P378 HydrophobicContact CB-CB 3.49Å; A201-P378 VanDerWaalsContact CB-CB 3.49Å; A201-P378 HydrophobicContact CB-CG 3.84Å
202P97.9Very high96.7Very high22 Ų2229.5 Ų29.514%0.14314%0.143CC..PPolyproline II helixtrans-54.2134.8172.6-26.835.2000112.7F43 L130 P194 C207F43-P202 HydrophobicContact CB-CB 4.2Å; L130-P202 HydrophobicContact CD1-CG 4.11Å; P194-P202 HydrophobicContact CB-CG 3.92Å; P202-C207 HydrophobicContact CB-CB 3.58Å; P202-C207 HydrophobicContact CG-CB 3.48Å; P202-C207 VanDerWaalsContact CG-CB 3.48Å; P202-C207 WeakPolarHBondContact CG-SG 3.19Å
203R97Very high96.6Very high148 Ų14829.5 Ų29.556%0.55814%0.143SC*.SBendtrans-97.7-6.9174.8-59.5-58.8-172170.40.5113.2F43 E45 A201F43-R203 PolarHBondContact O-N 3.3Å; E45-R203 HydrophobicContact CB-CB 4.47Å; E45-R203 HydrophobicContact CB-CG 3.99Å; E45-R203 HydrophobicContact CG-CG 4.43Å; A201-R203 PolarHBondContact O-N 2.82Å
204K95.8Very high96.6Very high86 Ų8630.3 Ų30.337%0.37415%0.145SC..SBendtrans-125150.4178.2-52.6-167.9-166.9178.70110.4Y42 F43 G44 G46Y42-K204 WeakPolarHBondContact O-CD 3.49Å; F43-K204 HydrophobicContact CD1-CB 4.48Å; G44-K204 VanDerWaalsContact O-CE 3.27Å; G44-K204 WeakPolarHBondContact O-CE 3.34Å; G46-K204 VanDerWaalsContact O-CE 3.31Å; G46-K204 WeakPolarHBondContact O-CE 3.41Å; G46-K204 PolarHBondContact O-NZ 2.8Å
205K95.2Very high96.5Very high184 Ų18430.1 Ų30.180%0.814%0.144SC*.THydrogen-bonded Turntrans-62.9161.8171.5-61.6-179.9-177.2175.40110.2
206G93.3Very high96.6Very high25 Ų2530.1 Ų30.126%0.25814%0.144SC..THydrogen-bonded Turntrans99.4-12.3177.900000114G208 E385 Q389G206-G208 VanDerWaalsContact C-N 3.31Å; G206-G208 PolarHBondContact O-N 3.11Å; G206-E385 WeakPolarHBondContact CA-OE2 3.21Å; G206-E385 PolarHBondContact N-OE2 3.39Å; G206-Q389 PolarHBondContact O-NE2 3.18Å; G206-Q389 PolarHBondContact O-OE1 3.36Å
207C95.2Very high96.6Very high5 Ų530.1 Ų30.13%0.03414%0.144CC..  trans-82.573.2-179.1-163.80000112.1F43 P202F43-C207 HydrophobicContact CD1-CB 3.56Å; F43-C207 HydrophobicContact CD2-CB 4.28Å; F43-C207 HydrophobicContact CE1-CB 3.71Å; F43-C207 HydrophobicContact CE2-CB 4.41Å; F43-C207 HydrophobicContact CG-CB 3.85Å; F43-C207 HydrophobicContact CZ-CB 4.13Å; P202-C207 HydrophobicContact CB-CB 3.58Å; P202-C207 HydrophobicContact CG-CB 3.48Å; P202-C207 VanDerWaalsContact CG-CB 3.48Å; P202-C207 WeakPolarHBondContact CG-SG 3.19Å
208G92.6Very high96.6Very high0 Ų032 Ų320%015%0.152CC..SBendtrans-104.3-16117500000113.4G206 L210 A211 T212G206-G208 VanDerWaalsContact C-N 3.31Å; G206-G208 PolarHBondContact O-N 3.11Å; G208-L210 VanDerWaalsContact C-N 3.28Å; G208-L210 PolarHBondContact O-N 3.29Å; G208-A211 PolarHBondContact O-N 3.15Å; G208-T212 PolarHBondContact O-N 3.44Å; G208-T212 PolarHBondContact O-OG1 3.26Å; G208-T212 VanDerWaalsContact O-OG1 3.05Å
209T92.6Very high96.6Very high1 Ų130.4 Ų30.41%0.00615%0.145CC..Hα-helixtrans-59.3-35-178.349.40000113.9T212 A213 W235 L238 V239 Y382 F386 H392T209-T212 PolarHBondContact O-N 3.15Å; T209-A213 WeakPolarHBondContact O-CB 3.45Å; T209-A213 PolarHBondContact O-N 3.27Å; T209-W235 HydrophobicContact CG2-CE3 3.63Å; T209-W235 HydrophobicContact CG2-CZ3 4.02Å; T209-L238 HydrophobicContact CG2-CB 4.14Å; T209-V239 HydrophobicContact CG2-CG2 4.09Å; T209-Y382 WeakPolarHBondContact CA-OH 3.49Å; T209-Y382 HydrophobicContact CG2-CD1 4.44Å; T209-Y382 HydrophobicContact CG2-CE1 3.45Å; T209-Y382 VanDerWaalsContact CG2-CE1 3.45Å; T209-F386 HydrophobicContact CG2-CD2 4.02Å; T209-F386 HydrophobicContact CG2-CE2 4.42Å; T209-F386 WeakPolarHBondContact OG1-CD2 3.39Å; T209-H392 PolarHBondContact N-NE2 3.47Å; T209-H392 PolarHBondContact OG1-CD2 3.02Å; T209-H392 PolarHBondContact OG1-NE2 3.12Å; T209-H392 VanDerWaalsContact OG1-NE2 3.09Å
210L93.2Very high96.6Very high14 Ų1430.1 Ų30.17%0.07314%0.143CC..Hα-helixtrans-67.2-47.6177.9-174.2156.8000111.2P36 G208 T212 A213 R214 L246 D391 H392 L395P36-L210 HydrophobicContact CG-CD1 3.97Å; G208-L210 VanDerWaalsContact C-N 3.28Å; G208-L210 PolarHBondContact O-N 3.29Å; L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 PolarHBondContact O-N 3.48Å; L210-A213 WeakPolarHBondContact O-CB 3.22Å; L210-A213 PolarHBondContact O-N 2.96Å; L210-R214 PolarHBondContact O-N 3.26Å; L210-L246 HydrophobicContact CG-CD1 4.46Å; L210-D391 HydrophobicContact CD1-CB 3.56Å; L210-H392 PolarHBondContact N-NE2 2.96Å; L210-H392 VanDerWaalsContact N-NE2 3.11Å; L210-L395 HydrophobicContact CB-CD1 4.43Å; L210-L395 HydrophobicContact CD1-CD1 3.8Å; L210-L395 HydrophobicContact CG-CD1 4.18Å
211A95.6Very high96.6Very high2 Ų232.1 Ų32.12%0.01715%0.15CC..Hα-helixtrans-59-45.7175.200000110.8F43 G208 A213 R214 I215F43-A211 HydrophobicContact CE2-CB 3.77Å; F43-A211 HydrophobicContact CZ-CB 3.68Å; G208-A211 PolarHBondContact O-N 3.15Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 2.99Å; A211-R214 PolarHBondContact O-N 3.06Å; A211-I215 VanDerWaalsContact O-CG1 3.29Å; A211-I215 WeakPolarHBondContact O-CG1 3.37Å; A211-I215 PolarHBondContact O-N 3.31Å
212T97.9Very high96.6Very high0 Ų033.3 Ų33.30%015%0.15CC..Hα-helixtrans-60.1-40.8176.6-54.80000112.5L193 P194 G208 T209 L210 R214 I215 F216 V239 Y382L193-T212 HydrophobicContact CD2-CG2 3.82Å; P194-T212 HydrophobicContact CG-CG2 4.32Å; G208-T212 PolarHBondContact O-N 3.44Å; G208-T212 PolarHBondContact O-OG1 3.26Å; G208-T212 VanDerWaalsContact O-OG1 3.05Å; T209-T212 PolarHBondContact O-N 3.15Å; L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 PolarHBondContact O-N 3.48Å; T212-R214 VanDerWaalsContact C-N 3.32Å; T212-R214 PolarHBondContact O-N 3.2Å; T212-I215 PolarHBondContact O-N 3.13Å; T212-F216 HydrophobicContact CG2-CD1 4.36Å; T212-F216 HydrophobicContact CG2-CD2 3.8Å; T212-F216 HydrophobicContact CG2-CE1 4.06Å; T212-F216 HydrophobicContact CG2-CE2 3.44Å; T212-F216 VanDerWaalsContact CG2-CE2 3.44Å; T212-F216 HydrophobicContact CG2-CG 4.25Å; T212-F216 HydrophobicContact CG2-CZ 3.6Å; T212-F216 WeakPolarHBondContact O-CB 3.42Å; T212-F216 WeakPolarHBondContact O-CG 3.47Å; T212-F216 PolarHBondContact O-N 2.84Å; T212-V239 HydrophobicContact CG2-CG1 3.87Å; T212-V239 HydrophobicContact CG2-CG2 3.85Å; T212-Y382 WeakPolarHBondContact CB-OH 3.48Å; T212-Y382 WeakPolarHBondContact OG1-CE2 3.31Å; T212-Y382 PolarHBondContact OG1-OH 3.39Å
213A97.6Very high96.6Very high0 Ų032.4 Ų32.40%014%0.144CC..Hα-helixtrans-60.2-41.717700000112T209 L210 A211 A217 V239 M243 L246T209-A213 WeakPolarHBondContact O-CB 3.45Å; T209-A213 PolarHBondContact O-N 3.27Å; L210-A213 WeakPolarHBondContact O-CB 3.22Å; L210-A213 PolarHBondContact O-N 2.96Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 2.99Å; A213-A217 WeakPolarHBondContact O-CB 3.15Å; A213-A217 PolarHBondContact O-N 3.46Å; A213-V239 HydrophobicContact CB-CG1 4.41Å; A213-M243 HydrophobicContact CB-CG 3.59Å; A213-M243 WeakPolarHBondContact O-CG 3.45Å; A213-L246 HydrophobicContact CB-CD1 4.15Å
214R96.9Very high96.7Very high16 Ų1631.9 Ų31.96%0.0615%0.153CC..Hα-helixtrans-66.7-46.8173.9178.1177.759.7-124.84.5112.1I38 V39 D40 E128 L210 A211 T212 F216 A217 K218I38-R214 HydrophobicContact CG2-CB 4.36Å; I38-R214 VanDerWaalsContact CG2-CD 3.44Å; I38-R214 HydrophobicContact CG2-CG 4.15Å; V39-R214 PolarHBondContact O-NH1 3.17Å; V39-R214 PolarHBondContact O-NH2 3.24Å; D40-R214 WeakPolarHBondContact OD1-CD 3.46Å; E128-R214 VanDerWaalsContact CD-NE 3.27Å; E128-R214 WeakPolarHBondContact OE1-CD 3.39Å; E128-R214 WeakPolarHBondContact OE1-CG 3.46Å; E128-R214 IonicContact OE1-CZ 3.35Å; E128-R214 IonicContact OE1-NE 3.05Å; E128-R214 PolarHBondContact OE1-NE 2.76Å; E128-R214 IonicContact OE1-NH2 2.77Å; E128-R214 IonicContact OE2-CZ 2.75Å; E128-R214 IonicContact OE2-NE 3.92Å; E128-R214 PolarHBondContact OE2-NE 2.92Å; E128-R214 IonicContact OE2-NH2 3.74Å; E128-R214 PolarHBondContact OE2-NH2 3.42Å; L210-R214 PolarHBondContact O-N 3.26Å; A211-R214 PolarHBondContact O-N 3.06Å; T212-R214 VanDerWaalsContact C-N 3.32Å; T212-R214 PolarHBondContact O-N 3.2Å; R214-F216 VanDerWaalsContact C-N 3.28Å; R214-F216 PolarHBondContact O-N 2.86Å; R214-A217 PolarHBondContact O-N 3.34Å; R214-A217 VanDerWaalsContact O-N 3.17Å; R214-K218 PolarHBondContact O-N 3.19Å
215I98.4Very high96.8Very high0 Ų028.8 Ų28.80%014%0.139CC..Hα-helixtrans-56-45.7177.5-72.2167.2000110.1F43 I127 E128 L130 I132 P194 A211 T212 K218 L219F43-I215 HydrophobicContact CD2-CD1 4.3Å; F43-I215 HydrophobicContact CE2-CD1 4.4Å; I127-I215 HydrophobicContact CB-CG2 4.06Å; I127-I215 HydrophobicContact CD1-CG2 4.33Å; I127-I215 HydrophobicContact CG2-CB 4.13Å; I127-I215 HydrophobicContact CG2-CG1 4.11Å; I127-I215 HydrophobicContact CG2-CG2 3.84Å; E128-I215 HydrophobicContact CB-CG1 4.28Å; E128-I215 HydrophobicContact CG-CG1 4.37Å; L130-I215 HydrophobicContact CD1-CD1 4.25Å; I132-I215 HydrophobicContact CD1-CG2 3.81Å; I132-I215 HydrophobicContact CG1-CG2 3.72Å; P194-I215 HydrophobicContact CG-CD1 4.16Å; A211-I215 VanDerWaalsContact O-CG1 3.29Å; A211-I215 WeakPolarHBondContact O-CG1 3.37Å; A211-I215 PolarHBondContact O-N 3.31Å; T212-I215 PolarHBondContact O-N 3.13Å; I215-K218 WeakPolarHBondContact O-CB 3.35Å; I215-K218 PolarHBondContact O-N 2.66Å; I215-L219 PolarHBondContact O-N 2.93Å
216F98.8Very high96.9Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-73.1-31.2179.1-68.6-8.6000113.4I132 L151 V153 A191 L193 T212 R214 K218 L219 M220 V239 M243I132-F216 HydrophobicContact CG2-CE1 4.07Å; L151-F216 HydrophobicContact CD2-CB 4.01Å; L151-F216 HydrophobicContact CD2-CD2 4.34Å; V153-F216 HydrophobicContact CB-CE2 4.49Å; V153-F216 HydrophobicContact CG1-CD2 4.39Å; V153-F216 HydrophobicContact CG1-CE2 3.67Å; V153-F216 HydrophobicContact CG2-CD2 3.95Å; V153-F216 HydrophobicContact CG2-CE2 3.94Å; A191-F216 HydrophobicContact CB-CD1 4.06Å; A191-F216 HydrophobicContact CB-CD2 4.34Å; A191-F216 HydrophobicContact CB-CE1 3.63Å; A191-F216 HydrophobicContact CB-CE2 3.94Å; A191-F216 HydrophobicContact CB-CG 4.4Å; A191-F216 HydrophobicContact CB-CZ 3.56Å; L193-F216 HydrophobicContact CD2-CE2 4.05Å; L193-F216 HydrophobicContact CD2-CZ 4.25Å; T212-F216 HydrophobicContact CG2-CD1 4.36Å; T212-F216 HydrophobicContact CG2-CD2 3.8Å; T212-F216 HydrophobicContact CG2-CE1 4.06Å; T212-F216 HydrophobicContact CG2-CE2 3.44Å; T212-F216 VanDerWaalsContact CG2-CE2 3.44Å; T212-F216 HydrophobicContact CG2-CG 4.25Å; T212-F216 HydrophobicContact CG2-CZ 3.6Å; T212-F216 WeakPolarHBondContact O-CB 3.42Å; T212-F216 WeakPolarHBondContact O-CG 3.47Å; T212-F216 PolarHBondContact O-N 2.84Å; R214-F216 VanDerWaalsContact C-N 3.28Å; R214-F216 PolarHBondContact O-N 2.86Å; F216-K218 VanDerWaalsContact C-N 3.29Å; F216-K218 PolarHBondContact O-N 2.78Å; F216-L219 HydrophobicContact CD1-CD2 4.41Å; F216-L219 WeakPolarHBondContact O-CB 3.39Å; F216-L219 PolarHBondContact O-N 3.11Å; F216-M220 WeakPolarHBondContact O-CG 3.33Å; F216-M220 PolarHBondContact O-N 3.22Å; F216-V239 HydrophobicContact CD2-CG1 3.73Å; F216-V239 HydrophobicContact CE2-CG1 4.11Å; F216-M243 HydrophobicContact CB-CE 4.03Å; F216-M243 HydrophobicContact CB-SD 3.83Å
217A98.3Very high97.1Very high1 Ų129.3 Ų29.31%0.00814%0.135CC..Hα-helixtrans-63.6-37.2170.500000111.9A213 R214 K221 M243 F247A213-A217 WeakPolarHBondContact O-CB 3.15Å; A213-A217 PolarHBondContact O-N 3.46Å; R214-A217 PolarHBondContact O-N 3.34Å; R214-A217 VanDerWaalsContact O-N 3.17Å; A217-K221 WeakPolarHBondContact O-CB 3.33Å; A217-K221 PolarHBondContact O-N 2.89Å; A217-K221 VanDerWaalsContact O-N 3.09Å; A217-M243 HydrophobicContact CB-CE 4.25Å; A217-F247 HydrophobicContact CB-CD2 3.55Å; A217-F247 HydrophobicContact CB-CE2 3.41Å; A217-F247 VanDerWaalsContact CB-CE2 3.41Å; A217-F247 HydrophobicContact CB-CG 4.25Å; A217-F247 HydrophobicContact CB-CZ 4.01Å
218K98.1Very high97.3Very high46 Ų4629 Ų2920%0.213%0.133CC..Hα-helixtrans-67.9-41.9171.9-71.2175.7173.8179.60112D40 I127 E128 R214 I215 F216 M220 K221 R222D40-K218 WeakPolarHBondContact OD1-CE 3.26Å; D40-K218 IonicContact OD1-NZ 2.74Å; D40-K218 PolarHBondContact OD1-NZ 3.26Å; D40-K218 IonicContact OD2-NZ 2.61Å; D40-K218 PolarHBondContact OD2-NZ 3.48Å; I127-K218 HydrophobicContact CG2-CB 3.87Å; I127-K218 HydrophobicContact CG2-CD 3.78Å; I127-K218 HydrophobicContact CG2-CG 4.49Å; E128-K218 HydrophobicContact CG-CD 4.5Å; E128-K218 WeakPolarHBondContact OE1-CE 3.19Å; E128-K218 IonicContact OE1-NZ 2.82Å; E128-K218 PolarHBondContact OE1-NZ 2.84Å; R214-K218 PolarHBondContact O-N 3.19Å; I215-K218 WeakPolarHBondContact O-CB 3.35Å; I215-K218 PolarHBondContact O-N 2.66Å; F216-K218 VanDerWaalsContact C-N 3.29Å; F216-K218 PolarHBondContact O-N 2.78Å; K218-M220 PolarHBondContact O-N 3.29Å; K218-K221 PolarHBondContact O-N 3.42Å; K218-R222 WeakPolarHBondContact O-CB 3.36Å; K218-R222 PolarHBondContact O-N 2.7Å
219L98.8Very high97.6Very high0 Ų029.3 Ų29.30%014%0.135CC..Hα-helixtrans-55.5-52.6174.6176.460.9000110.6T125 I127 I132 F134 V189 A191 I215 F216 K221 R222 L223T125-L219 HydrophobicContact CG2-CD1 3.88Å; I127-L219 HydrophobicContact CD1-CB 3.57Å; I127-L219 HydrophobicContact CD1-CD1 4.15Å; I127-L219 HydrophobicContact CD1-CG 4.43Å; I132-L219 HydrophobicContact CG2-CD2 4.39Å; F134-L219 HydrophobicContact CB-CD2 4.22Å; F134-L219 HydrophobicContact CD1-CD1 3.71Å; F134-L219 HydrophobicContact CD1-CD2 4.23Å; F134-L219 HydrophobicContact CE1-CD1 3.61Å; F134-L219 HydrophobicContact CG-CD1 4.25Å; F134-L219 HydrophobicContact CG-CD2 4.2Å; F134-L219 HydrophobicContact CZ-CD1 4.04Å; V189-L219 HydrophobicContact CG1-CD2 4.43Å; A191-L219 HydrophobicContact CB-CD2 3.94Å; I215-L219 PolarHBondContact O-N 2.93Å; F216-L219 HydrophobicContact CD1-CD2 4.41Å; F216-L219 WeakPolarHBondContact O-CB 3.39Å; F216-L219 PolarHBondContact O-N 3.11Å; L219-K221 VanDerWaalsContact C-N 3.34Å; L219-K221 PolarHBondContact O-N 2.85Å; L219-R222 WeakPolarHBondContact O-CB 3.49Å; L219-R222 PolarHBondContact O-N 3.3Å; L219-R222 VanDerWaalsContact O-N 3.14Å; L219-L223 HydrophobicContact CD1-CD1 4.11Å; L219-L223 HydrophobicContact CD1-CG 4.3Å; L219-L223 HydrophobicContact CG-CD1 4.13Å; L219-L223 WeakPolarHBondContact O-CG 3.21Å; L219-L223 PolarHBondContact O-N 2.89Å
220M98.8Very high97.8Very high0 Ų029.2 Ų29.20%013%0.134CC..Hα-helixtrans-62.4-41.3-179.2-66.3-57-74.100111.9P149 L151 V189 F216 K218 R222 L223 N224 F225 Y228P149-M220 HydrophobicContact CB-CE 4.5Å; L151-M220 HydrophobicContact CB-CE 4.19Å; L151-M220 HydrophobicContact CB-SD 4.07Å; L151-M220 HydrophobicContact CD1-SD 4.14Å; L151-M220 HydrophobicContact CD2-CG 4.23Å; L151-M220 HydrophobicContact CG-SD 4.47Å; V189-M220 HydrophobicContact CB-SD 4.11Å; V189-M220 HydrophobicContact CG1-SD 4.13Å; V189-M220 HydrophobicContact CG2-CE 4.36Å; V189-M220 HydrophobicContact CG2-SD 4.11Å; F216-M220 WeakPolarHBondContact O-CG 3.33Å; F216-M220 PolarHBondContact O-N 3.22Å; K218-M220 PolarHBondContact O-N 3.29Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 2.85Å; M220-L223 PolarHBondContact O-N 3.43Å; M220-L223 HydrophobicContact SD-CD1 4.46Å; M220-N224 PolarHBondContact O-N 2.87Å; M220-F225 HydrophobicContact CB-CB 4.49Å; M220-F225 HydrophobicContact CE-CB 3.96Å; M220-F225 HydrophobicContact CE-CD2 3.54Å; M220-F225 HydrophobicContact CE-CE2 4.4Å; M220-F225 HydrophobicContact CE-CG 4.09Å; M220-F225 PolarHBondContact O-N 3.06Å; M220-F225 HydrophobicContact SD-CD2 4.29Å; M220-Y228 HydrophobicContact CB-CD1 3.9Å; M220-Y228 HydrophobicContact CB-CE1 3.4Å; M220-Y228 VanDerWaalsContact CB-CE1 3.4Å; M220-Y228 HydrophobicContact CB-CE2 4.31Å; M220-Y228 HydrophobicContact CE-CD1 3.87Å; M220-Y228 HydrophobicContact CE-CD2 3.89Å; M220-Y228 HydrophobicContact CE-CE1 4.49Å; M220-Y228 HydrophobicContact CE-CG 3.55Å; M220-Y228 HydrophobicContact CG-CD1 4.26Å; M220-Y228 HydrophobicContact CG-CD2 4.25Å; M220-Y228 HydrophobicContact CG-CE1 3.93Å; M220-Y228 HydrophobicContact CG-CE2 3.92Å; M220-Y228 HydrophobicContact CG-CG 4.42Å
221K98.2Very high98.1Very high104 Ų10428.6 Ų28.645%0.45213%0.131SC..Hα-helixtrans-60.7-42.5174.1-177.556.8172.7171.90111.8A217 K218 L219 L223 N224 D226A217-K221 WeakPolarHBondContact O-CB 3.33Å; A217-K221 PolarHBondContact O-N 2.89Å; A217-K221 VanDerWaalsContact O-N 3.09Å; K218-K221 PolarHBondContact O-N 3.42Å; L219-K221 VanDerWaalsContact C-N 3.34Å; L219-K221 PolarHBondContact O-N 2.85Å; K221-L223 VanDerWaalsContact C-N 3.27Å; K221-L223 PolarHBondContact O-N 3.15Å; K221-N224 WeakPolarHBondContact O-CA 3.1Å; K221-N224 PolarHBondContact O-N 3.13Å; K221-D226 WeakPolarHBondContact CD-OD1 3.33Å; K221-D226 IonicContact NZ-OD1 3.56Å; K221-D226 PolarHBondContact NZ-OD1 3.22Å
222R98Very high98.2Very high45 Ų4528.5 Ų28.517%0.1713%0.13CC..Hα-helixtrans-66.5-29177.9-166.3160-62.61461.3113.2E53 I55 K126 K218 L219 M220 N224E53-R222 WeakPolarHBondContact O-CD 3.29Å; E53-R222 IonicContact OE1-CZ 3.49Å; E53-R222 IonicContact OE1-NE 3.63Å; E53-R222 IonicContact OE1-NH2 2.77Å; E53-R222 PolarHBondContact OE1-NH2 3.49Å; I55-R222 HydrophobicContact CD1-CG 4.25Å; I55-R222 HydrophobicContact CG1-CG 4.47Å; K126-R222 PolarHBondContact O-NH1 3.04Å; K218-R222 WeakPolarHBondContact O-CB 3.36Å; K218-R222 PolarHBondContact O-N 2.7Å; L219-R222 WeakPolarHBondContact O-CB 3.49Å; L219-R222 PolarHBondContact O-N 3.3Å; L219-R222 VanDerWaalsContact O-N 3.14Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 2.85Å; R222-N224 PolarHBondContact O-N 3.06Å
223L98.6Very high98.1Very high4 Ų428.5 Ų28.52%0.02113%0.13CC..THydrogen-bonded Turntrans-784.6171-63.2174.8000113.6I55 F134 V189 L219 M220 K221 F225I55-L223 HydrophobicContact CD1-CD2 3.7Å; F134-L223 HydrophobicContact CD2-CD1 4.31Å; F134-L223 HydrophobicContact CE2-CD1 3.9Å; F134-L223 HydrophobicContact CE2-CD2 3.77Å; F134-L223 HydrophobicContact CE2-CG 4.43Å; F134-L223 HydrophobicContact CZ-CD1 4.41Å; F134-L223 HydrophobicContact CZ-CD2 3.8Å; V189-L223 HydrophobicContact CG1-CD1 4.01Å; V189-L223 HydrophobicContact CG2-CD1 3.78Å; L219-L223 HydrophobicContact CD1-CD1 4.11Å; L219-L223 HydrophobicContact CD1-CG 4.3Å; L219-L223 HydrophobicContact CG-CD1 4.13Å; L219-L223 WeakPolarHBondContact O-CG 3.21Å; L219-L223 PolarHBondContact O-N 2.89Å; M220-L223 PolarHBondContact O-N 3.43Å; M220-L223 HydrophobicContact SD-CD1 4.46Å; K221-L223 VanDerWaalsContact C-N 3.27Å; K221-L223 PolarHBondContact O-N 3.15Å; L223-F225 VanDerWaalsContact C-N 3.32Å; L223-F225 HydrophobicContact CB-CD2 3.71Å; L223-F225 HydrophobicContact CB-CE2 3.88Å; L223-F225 HydrophobicContact CD1-CE2 4.45Å
224N98.2Very high98Very high137 Ų13729.7 Ų29.773%0.73314%0.136SC*.THydrogen-bonded Turntrans63.630.9-175.8-59.2-54000114.1M220 K221 R222M220-N224 PolarHBondContact O-N 2.87Å; K221-N224 WeakPolarHBondContact O-CA 3.1Å; K221-N224 PolarHBondContact O-N 3.13Å; R222-N224 PolarHBondContact O-N 3.06Å
225F98.5Very high98Very high20 Ų2029.4 Ų29.49%0.08813%0.134CC..  trans-101.298.8171.3-60-49.3000110.7P149 E187 V189 M220 L223 Y228P149-F225 HydrophobicContact CB-CB 4.23Å; P149-F225 HydrophobicContact CB-CD1 3.47Å; P149-F225 VanDerWaalsContact CB-CD1 3.47Å; P149-F225 HydrophobicContact CB-CD2 4.01Å; P149-F225 HydrophobicContact CB-CE1 3.68Å; P149-F225 HydrophobicContact CB-CE2 4.18Å; P149-F225 HydrophobicContact CB-CG 3.64Å; P149-F225 HydrophobicContact CB-CZ 4.02Å; P149-F225 HydrophobicContact CG-CB 4.36Å; P149-F225 HydrophobicContact CG-CD1 3.24Å; P149-F225 HydrophobicContact CG-CE1 3.55Å; P149-F225 HydrophobicContact CG-CG 3.87Å; P149-F225 HydrophobicContact CG-CZ 4.38Å; E187-F225 HydrophobicContact CB-CZ 4.45Å; E187-F225 VanDerWaalsContact CD-CZ 3.48Å; E187-F225 HydrophobicContact CG-CZ 3.95Å; V189-F225 HydrophobicContact CG2-CD2 4.45Å; V189-F225 HydrophobicContact CG2-CE2 3.92Å; M220-F225 HydrophobicContact CB-CB 4.49Å; M220-F225 HydrophobicContact CE-CB 3.96Å; M220-F225 HydrophobicContact CE-CD2 3.54Å; M220-F225 HydrophobicContact CE-CE2 4.4Å; M220-F225 HydrophobicContact CE-CG 4.09Å; M220-F225 PolarHBondContact O-N 3.06Å; M220-F225 HydrophobicContact SD-CD2 4.29Å; L223-F225 VanDerWaalsContact C-N 3.32Å; L223-F225 HydrophobicContact CB-CD2 3.71Å; L223-F225 HydrophobicContact CB-CE2 3.88Å; L223-F225 HydrophobicContact CD1-CE2 4.45Å; F225-Y228 HydrophobicContact CB-CD1 4.02Å; F225-Y228 WeakPolarHBondContact O-CD1 3.45Å; F225-Y228 WeakPolarHBondContact O-CE1 3.38Å
226D97.6Very high98Very high92 Ų9229.4 Ų29.449%0.49213%0.134SC..SBendtrans-75.7-32.7175.3-70.5-49000112.8K221 R250K221-D226 WeakPolarHBondContact CD-OD1 3.33Å; K221-D226 IonicContact NZ-OD1 3.56Å; K221-D226 PolarHBondContact NZ-OD1 3.22Å; D226-R250 WeakPolarHBondContact O-CA 3.49Å; D226-R250 WeakPolarHBondContact O-CB 3.28Å
227R97.9Very high97.9Very high128 Ų12829.4 Ų29.448%0.48314%0.135SC..SBendtrans-134.3133.5176.3-61.7-166.672.9-148.3-3.3110.8E249 R250 I252R227-E249 PolarHBondContact NE-O 3.24Å; R227-R250 CarbonylContact C-O 3.59Å; R227-R250 VanDerWaalsContact CA-O 3.23Å; R227-R250 WeakPolarHBondContact CA-O 3.49Å; R227-I252 HydrophobicContact CB-CD1 3.84Å; R227-I252 HydrophobicContact CB-CG1 3.72Å
228Y98.4Very high97.8Very high0 Ų030.1 Ų30.10%014%0.138CC..EExtended strand (participates in β ladder)trans-153.8157.2-174.147.6-91000112.4P149 M220 F225 C230 M243 R250 V251 I252P149-Y228 WeakPolarHBondContact O-CA 3.38Å; P149-Y228 WeakPolarHBondContact O-CB 3.32Å; M220-Y228 HydrophobicContact CB-CD1 3.9Å; M220-Y228 HydrophobicContact CB-CE1 3.4Å; M220-Y228 VanDerWaalsContact CB-CE1 3.4Å; M220-Y228 HydrophobicContact CB-CE2 4.31Å; M220-Y228 HydrophobicContact CE-CD1 3.87Å; M220-Y228 HydrophobicContact CE-CD2 3.89Å; M220-Y228 HydrophobicContact CE-CE1 4.49Å; M220-Y228 HydrophobicContact CE-CG 3.55Å; M220-Y228 HydrophobicContact CG-CD1 4.26Å; M220-Y228 HydrophobicContact CG-CD2 4.25Å; M220-Y228 HydrophobicContact CG-CE1 3.93Å; M220-Y228 HydrophobicContact CG-CE2 3.92Å; M220-Y228 HydrophobicContact CG-CG 4.42Å; F225-Y228 HydrophobicContact CB-CD1 4.02Å; F225-Y228 WeakPolarHBondContact O-CD1 3.45Å; F225-Y228 WeakPolarHBondContact O-CE1 3.38Å; Y228-C230 VanDerWaalsContact CE2-SG 3.55Å; Y228-M243 HydrophobicContact CE2-CE 3.77Å; Y228-M243 WeakPolarHBondContact OH-CE 3.35Å; Y228-R250 HydrophobicContact CE1-CB 3.97Å; Y228-R250 PolarHBondContact N-O 3.38Å; Y228-V251 HydrophobicContact CE2-CG2 4.35Å; Y228-V251 CarbonylContact O-C 3.56Å; Y228-V251 WeakPolarHBondContact O-CA 3.45Å; Y228-I252 PolarHBondContact O-N 2.73Å
229F98.5Very high97.8Very high5 Ų528 Ų282%0.02213%0.129CC..EExtended strand (participates in β ladder)trans-79153.8166.2-73.7-87.1000110.3Y148 P149 I150 L151 F186 I252 G253 F456 V457 I460Y148-F229 AromaticContact CD1-CE2 3.87Å; Y148-F229 HydrophobicContact CD1-CE2 3.87Å; Y148-F229 HydrophobicContact CD2-CE2 4.33Å; Y148-F229 HydrophobicContact CE1-CE2 4.47Å; Y148-F229 HydrophobicContact CG-CD2 4.26Å; Y148-F229 AromaticContact CG-CE2 3.79Å; Y148-F229 HydrophobicContact CG-CE2 3.79Å; P149-F229 PolarHBondContact O-N 3.26Å; I150-F229 WeakPolarHBondContact CA-O 3.15Å; I150-F229 HydrophobicContact CB-CB 4.14Å; I150-F229 HydrophobicContact CD1-CB 4.18Å; I150-F229 HydrophobicContact CG1-CB 3.82Å; L151-F229 PolarHBondContact N-O 2.79Å; F186-F229 HydrophobicContact CE1-CD2 4.21Å; F229-I252 HydrophobicContact CD1-CB 4.48Å; F229-I252 HydrophobicContact CD2-CB 4.41Å; F229-I252 HydrophobicContact CD2-CD1 4.36Å; F229-I252 HydrophobicContact CD2-CG2 4.49Å; F229-I252 HydrophobicContact CE1-CB 4.33Å; F229-I252 HydrophobicContact CE1-CG2 3.9Å; F229-I252 HydrophobicContact CE2-CB 4.25Å; F229-I252 HydrophobicContact CE2-CD1 4.25Å; F229-I252 HydrophobicContact CE2-CG2 3.86Å; F229-I252 HydrophobicContact CZ-CB 4.21Å; F229-I252 HydrophobicContact CZ-CG2 3.52Å; F229-G253 WeakPolarHBondContact CA-O 3.46Å; F229-F456 HydrophobicContact CD1-CD1 4.38Å; F229-F456 AromaticContact CD1-CE1 3.79Å; F229-F456 HydrophobicContact CD1-CE1 3.79Å; F229-F456 HydrophobicContact CD1-CZ 4.49Å; F229-F456 HydrophobicContact CE1-CD1 4.42Å; F229-F456 AromaticContact CE1-CE1 3.95Å; F229-F456 HydrophobicContact CE1-CE1 3.95Å; F229-F456 HydrophobicContact CE1-CZ 4.37Å; F229-V457 HydrophobicContact CD1-CG2 4.2Å; F229-V457 HydrophobicContact CD2-CG2 4.29Å; F229-V457 HydrophobicContact CE1-CG2 3.86Å; F229-V457 HydrophobicContact CE2-CG1 4.2Å; F229-V457 HydrophobicContact CE2-CG2 3.96Å; F229-V457 HydrophobicContact CG-CG2 4.4Å; F229-V457 HydrophobicContact CZ-CB 4.28Å; F229-V457 HydrophobicContact CZ-CG1 4.05Å; F229-V457 HydrophobicContact CZ-CG2 3.73Å; F229-I460 HydrophobicContact CE1-CB 4.39Å; F229-I460 HydrophobicContact CE1-CG1 4.19Å; F229-I460 HydrophobicContact CE1-CG2 4.48Å; F229-I460 HydrophobicContact CZ-CB 4.32Å; F229-I460 HydrophobicContact CZ-CG2 4.27Å
230C98.8Very high97.8Very high0 Ų028 Ų280%013%0.129CC..EExtended strand (participates in β ladder)trans-125.3139.7171-670000110.5L151 Y228 V240 V251 G253 L254 H255L151-C230 CarbonylContact O-C 3.56Å; L151-C230 WeakPolarHBondContact O-CA 3.18Å; Y228-C230 VanDerWaalsContact CE2-SG 3.55Å; C230-V240 HydrophobicContact CB-CB 3.7Å; C230-V240 HydrophobicContact CB-CG1 3.77Å; C230-V240 HydrophobicContact CB-CG2 4.43Å; C230-V251 HydrophobicContact CB-CG1 4.23Å; C230-G253 PolarHBondContact N-O 2.93Å; C230-L254 HydrophobicContact CB-CD1 4.24Å; C230-H255 PolarHBondContact O-N 3.24Å
231H98.8Very high97.7Very high1 Ų128.4 Ų28.41%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-126.8140.1168.4178.688.2000110.2I150 L151 L152 V153 F163 H255 L453I150-H231 HydrophobicContact CD1-CB 4.31Å; L151-H231 PolarHBondContact O-N 2.91Å; L152-H231 WeakPolarHBondContact CA-O 3.35Å; L152-H231 HydrophobicContact CD2-CB 3.55Å; V153-H231 PolarHBondContact N-O 3.24Å; F163-H231 AromaticContact CE1-CD2 3.79Å; H231-H255 VanDerWaalsContact CA-O 3.22Å; H231-H255 WeakPolarHBondContact CA-O 3.39Å; H231-H255 AromaticContact CE1-CE1 3.74Å; H231-H255 AromaticContact CE1-ND1 3.3Å; H231-H255 PolarHBondContact CE1-ND1 3.45Å; H231-H255 VanDerWaalsContact CE1-ND1 3.3Å; H231-H255 AromaticContact ND1-CE1 3.65Å; H231-H255 AromaticContact ND1-CG 3.62Å; H231-H255 AromaticContact ND1-ND1 2.87Å; H231-H255 PolarHBondContact ND1-ND1 3.13Å; H231-L453 HydrophobicContact CB-CD2 4.48Å
232G98.1Very high97.6Very high0 Ų023.8 Ų23.80%011%0.112CC..EExtended strand (participates in β ladder)trans-153.6149.1171.900000115.2V153 S237 H255 N257V153-G232 VanDerWaalsContact O-CA 3.31Å; V153-G232 WeakPolarHBondContact O-CA 3.23Å; G232-S237 WeakPolarHBondContact O-CB 3.27Å; G232-H255 PolarHBondContact N-O 3.39Å; G232-N257 PolarHBondContact O-OD1 3.44Å
233S94.5Very high97.6Very high0 Ų021.6 Ų21.60%010%0.104CC..  trans-113.4145.2171.1630000110.1V153 E162 W235 G236 S237 N257 T258V153-S233 PolarHBondContact O-N 3.06Å; E162-S233 WeakPolarHBondContact OE1-CB 3.37Å; E162-S233 PolarHBondContact OE1-OG 3.4Å; S233-W235 PolarHBondContact O-N 2.77Å; S233-W235 VanDerWaalsContact O-N 3.14Å; S233-G236 WeakPolarHBondContact O-CA 3.42Å; S233-G236 PolarHBondContact O-N 2.94Å; S233-S237 PolarHBondContact O-N 3.26Å; S233-N257 WeakPolarHBondContact CA-OD1 3.33Å; S233-N257 WeakPolarHBondContact CB-OD1 3.25Å; S233-T258 WeakPolarHBondContact CA-OG1 3.32Å
234Q95.1Very high97.6Very high24 Ų2421.5 Ų21.511%0.11210%0.104CC..THydrogen-bonded Turntrans44.6-110.9178.5-163.6-88.2-22.900113.9G236 S237 L238 T258 Y383 H439Q234-G236 VanDerWaalsContact C-N 3.25Å; Q234-G236 PolarHBondContact O-N 3.5Å; Q234-S237 PolarHBondContact O-N 3.15Å; Q234-S237 VanDerWaalsContact O-N 3.13Å; Q234-S237 PolarHBondContact O-OG 3.14Å; Q234-L238 PolarHBondContact O-N 2.84Å; Q234-T258 PolarHBondContact N-OG1 2.99Å; Q234-Y383 PolarHBondContact NE2-OH 3.35Å; Q234-H439 WeakPolarHBondContact CB-NE2 3.21Å
235W97.1Very high97.5Very high10 Ų1015.3 Ų15.34%0.0387%0.07CC..Hα-helixtrans-64.5-36177.5-76.4130.5000111.1L193 T209 S233 S237 L238 V239 Y382 Y383 F386L193-W235 HydrophobicContact CD1-CB 3.97Å; T209-W235 HydrophobicContact CG2-CE3 3.63Å; T209-W235 HydrophobicContact CG2-CZ3 4.02Å; S233-W235 PolarHBondContact O-N 2.77Å; S233-W235 VanDerWaalsContact O-N 3.14Å; W235-S237 VanDerWaalsContact C-N 3.29Å; W235-S237 PolarHBondContact O-N 2.85Å; W235-L238 HydrophobicContact CE3-CD1 3.53Å; W235-L238 HydrophobicContact CZ3-CD1 3.47Å; W235-L238 VanDerWaalsContact CZ3-CD1 3.47Å; W235-L238 WeakPolarHBondContact O-CB 3.44Å; W235-L238 PolarHBondContact O-N 2.73Å; W235-V239 WeakPolarHBondContact O-CG2 3.41Å; W235-V239 PolarHBondContact O-N 3.05Å; W235-Y382 HydrophobicContact CB-CD1 4.29Å; W235-Y382 HydrophobicContact CB-CE1 3.85Å; W235-Y382 AromaticContact CD1-CD1 3.81Å; W235-Y382 AromaticContact CD2-CD1 3.58Å; W235-Y382 HydrophobicContact CD2-CD1 3.58Å; W235-Y382 AromaticContact CD2-CE1 3.73Å; W235-Y382 HydrophobicContact CD2-CE1 3.73Å; W235-Y382 AromaticContact CE2-CD1 3.77Å; W235-Y382 HydrophobicContact CE3-CD1 4.05Å; W235-Y382 AromaticContact CE3-CE1 3.92Å; W235-Y382 HydrophobicContact CE3-CE1 3.92Å; W235-Y382 AromaticContact CG-CD1 3.67Å; W235-Y382 HydrophobicContact CG-CD1 3.67Å; W235-Y382 AromaticContact CG-CE1 3.69Å; W235-Y382 HydrophobicContact CG-CE1 3.69Å; W235-Y382 HydrophobicContact CZ2-CD1 4.39Å; W235-Y382 AromaticContact NE1-CD1 3.89Å; W235-Y383 AromaticContact CE2-CE2 3.92Å; W235-Y383 AromaticContact CE2-CZ 3.76Å; W235-Y383 HydrophobicContact CH2-CD1 4.41Å; W235-Y383 AromaticContact CZ2-CD1 3.52Å; W235-Y383 HydrophobicContact CZ2-CD1 3.52Å; W235-Y383 AromaticContact CZ2-CD2 4Å; W235-Y383 HydrophobicContact CZ2-CD2 4Å; W235-Y383 AromaticContact CZ2-CE1 3.52Å; W235-Y383 HydrophobicContact CZ2-CE1 3.52Å; W235-Y383 HydrophobicContact CZ2-CE2 4Å; W235-Y383 AromaticContact CZ2-CG 3.73Å; W235-Y383 HydrophobicContact CZ2-CG 3.73Å; W235-Y383 AromaticContact CZ2-CZ 3.75Å; W235-Y383 AromaticContact NE1-CD2 3.9Å; W235-Y383 AromaticContact NE1-CE1 3.96Å; W235-Y383 AromaticContact NE1-CE2 3.22Å; W235-Y383 AromaticContact NE1-CZ 3.23Å; W235-Y383 PolarHBondContact NE1-OH 3.04Å; W235-F386 HydrophobicContact CH2-CB 3.62Å; W235-F386 AromaticContact CH2-CD1 3.85Å; W235-F386 HydrophobicContact CH2-CD1 3.85Å; W235-F386 HydrophobicContact CH2-CD2 4.09Å; W235-F386 AromaticContact CH2-CG 3.58Å; W235-F386 HydrophobicContact CH2-CG 3.58Å; W235-F386 HydrophobicContact CZ3-CB 3.9Å; W235-F386 HydrophobicContact CZ3-CD1 4.02Å; W235-F386 AromaticContact CZ3-CD2 3.54Å; W235-F386 HydrophobicContact CZ3-CD2 3.54Å; W235-F386 HydrophobicContact CZ3-CE1 4.41Å; W235-F386 AromaticContact CZ3-CE2 3.98Å; W235-F386 HydrophobicContact CZ3-CE2 3.98Å; W235-F386 AromaticContact CZ3-CG 3.53Å; W235-F386 HydrophobicContact CZ3-CG 3.53Å; W235-F386 HydrophobicContact CZ3-CZ 4.38Å
236G98.2Very high97.3Very high0 Ų015.3 Ų15.30%07%0.071CC..Hα-helixtrans-57.7-40.3172.200000112.5V153 H154 S233 Q234 L238 V239 V240V153-G236 VanDerWaalsContact CG1-CA 3.42Å; V153-G236 WeakPolarHBondContact O-CA 3.38Å; H154-G236 WeakPolarHBondContact O-CA 3.45Å; H154-G236 PolarHBondContact O-N 3.35Å; H154-G236 VanDerWaalsContact O-N 3.1Å; S233-G236 WeakPolarHBondContact O-CA 3.42Å; S233-G236 PolarHBondContact O-N 2.94Å; Q234-G236 VanDerWaalsContact C-N 3.25Å; Q234-G236 PolarHBondContact O-N 3.5Å; G236-L238 VanDerWaalsContact C-N 3.34Å; G236-L238 PolarHBondContact O-N 3.37Å; G236-V239 PolarHBondContact O-N 2.79Å; G236-V240 WeakPolarHBondContact O-CG2 3.47Å; G236-V240 PolarHBondContact O-N 3.06Å
237S97.4Very high97.2Very high1 Ų112 Ų121%0.0075%0.052CC..Hα-helixtrans-64.3-38.8176.574.60000112.2G232 S233 Q234 W235 T241 T258G232-S237 WeakPolarHBondContact O-CB 3.27Å; S233-S237 PolarHBondContact O-N 3.26Å; Q234-S237 PolarHBondContact O-N 3.15Å; Q234-S237 VanDerWaalsContact O-N 3.13Å; Q234-S237 PolarHBondContact O-OG 3.14Å; W235-S237 VanDerWaalsContact C-N 3.29Å; W235-S237 PolarHBondContact O-N 2.85Å; S237-T241 WeakPolarHBondContact O-CB 3.46Å; S237-T241 PolarHBondContact O-N 3.06Å; S237-T241 PolarHBondContact O-OG1 2.93Å; S237-T258 VanDerWaalsContact CB-O 3.26Å; S237-T258 WeakPolarHBondContact CB-O 3.38Å; S237-T258 WeakPolarHBondContact CB-OG1 3.43Å; S237-T258 PolarHBondContact OG-O 2.65Å; S237-T258 PolarHBondContact OG-OG1 2.82Å
238L96.2Very high97.1Very high16 Ų169.2 Ų9.28%0.0845%0.051CC..Hα-helixtrans-66.3-41.5173.2-77.7170.2000112.5T209 Q234 W235 G236 S242 T260 F386 L396T209-L238 HydrophobicContact CG2-CB 4.14Å; Q234-L238 PolarHBondContact O-N 2.84Å; W235-L238 HydrophobicContact CE3-CD1 3.53Å; W235-L238 HydrophobicContact CZ3-CD1 3.47Å; W235-L238 VanDerWaalsContact CZ3-CD1 3.47Å; W235-L238 WeakPolarHBondContact O-CB 3.44Å; W235-L238 PolarHBondContact O-N 2.73Å; G236-L238 VanDerWaalsContact C-N 3.34Å; G236-L238 PolarHBondContact O-N 3.37Å; L238-S242 WeakPolarHBondContact O-CB 3.47Å; L238-S242 PolarHBondContact O-N 3.22Å; L238-S242 PolarHBondContact O-OG 3.5Å; L238-T260 HydrophobicContact CD1-CG2 4.49Å; L238-T260 HydrophobicContact CD2-CG2 4.16Å; L238-F386 HydrophobicContact CD1-CE2 3.97Å; L238-F386 HydrophobicContact CD1-CZ 4.05Å; L238-L396 HydrophobicContact CD2-CD2 3.78Å
239V98Very high97Very high0 Ų014.2 Ų14.20%07%0.074CC..Hα-helixtrans-62.2-54176.6168.90000110.5V153 L193 T209 T212 A213 F216 W235 G236 T241 S242 M243 Y382V153-V239 HydrophobicContact CG1-CB 4.47Å; V153-V239 HydrophobicContact CG1-CG1 4.46Å; L193-V239 HydrophobicContact CD2-CG2 4.11Å; T209-V239 HydrophobicContact CG2-CG2 4.09Å; T212-V239 HydrophobicContact CG2-CG1 3.87Å; T212-V239 HydrophobicContact CG2-CG2 3.85Å; A213-V239 HydrophobicContact CB-CG1 4.41Å; F216-V239 HydrophobicContact CD2-CG1 3.73Å; F216-V239 HydrophobicContact CE2-CG1 4.11Å; W235-V239 WeakPolarHBondContact O-CG2 3.41Å; W235-V239 PolarHBondContact O-N 3.05Å; G236-V239 PolarHBondContact O-N 2.79Å; V239-T241 VanDerWaalsContact C-N 3.3Å; V239-T241 PolarHBondContact O-N 2.97Å; V239-S242 CarbonylContact O-C 3.51Å; V239-S242 WeakPolarHBondContact O-CB 3.46Å; V239-S242 PolarHBondContact O-N 3.16Å; V239-S242 VanDerWaalsContact O-N 3.11Å; V239-M243 HydrophobicContact CG1-SD 4.29Å; V239-M243 WeakPolarHBondContact O-CG 3.43Å; V239-M243 PolarHBondContact O-N 2.92Å; V239-Y382 VanDerWaalsContact CG2-OH 3.23Å; V239-Y382 WeakPolarHBondContact CG2-OH 3.48Å
240V98.5Very high97Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-69.9-28.7-177.7-64.20000112.8V153 C230 G236 M243 A244 L254 L256V153-V240 HydrophobicContact CB-CG1 4.15Å; V153-V240 HydrophobicContact CG2-CG1 3.59Å; C230-V240 HydrophobicContact CB-CB 3.7Å; C230-V240 HydrophobicContact CB-CG1 3.77Å; C230-V240 HydrophobicContact CB-CG2 4.43Å; G236-V240 WeakPolarHBondContact O-CG2 3.47Å; G236-V240 PolarHBondContact O-N 3.06Å; V240-M243 HydrophobicContact CG1-SD 4.44Å; V240-M243 PolarHBondContact O-N 3.42Å; V240-A244 WeakPolarHBondContact O-CB 3.21Å; V240-A244 PolarHBondContact O-N 2.94Å; V240-L254 HydrophobicContact CB-CD1 3.84Å; V240-L254 HydrophobicContact CG2-CD1 3.5Å; V240-L256 HydrophobicContact CG2-CD2 3.57Å
241T97.5Very high97Very high9 Ų917.5 Ų17.56%0.0559%0.087CC..Hα-helixtrans-64.7-44.7169.7-62.60000110.5S237 V239 M243 A244 Q245 V400S237-T241 WeakPolarHBondContact O-CB 3.46Å; S237-T241 PolarHBondContact O-N 3.06Å; S237-T241 PolarHBondContact O-OG1 2.93Å; V239-T241 VanDerWaalsContact C-N 3.3Å; V239-T241 PolarHBondContact O-N 2.97Å; T241-M243 VanDerWaalsContact C-N 3.33Å; T241-M243 PolarHBondContact O-N 3.07Å; T241-A244 WeakPolarHBondContact O-CB 3.29Å; T241-A244 PolarHBondContact O-N 3.11Å; T241-Q245 WeakPolarHBondContact O-CG 3.39Å; T241-Q245 PolarHBondContact O-N 3.04Å; T241-V400 HydrophobicContact CG2-CG2 3.6Å
242S96.4Very high96.9Very high7 Ų718.3 Ų18.35%0.0499%0.091CC..Hα-helixtrans-61.8-42.4175.4-57.80000110.7L238 V239 A244 Q245 L246L238-S242 WeakPolarHBondContact O-CB 3.47Å; L238-S242 PolarHBondContact O-N 3.22Å; L238-S242 PolarHBondContact O-OG 3.5Å; V239-S242 CarbonylContact O-C 3.51Å; V239-S242 WeakPolarHBondContact O-CB 3.46Å; V239-S242 PolarHBondContact O-N 3.16Å; V239-S242 VanDerWaalsContact O-N 3.11Å; S242-A244 VanDerWaalsContact C-N 3.33Å; S242-A244 PolarHBondContact O-N 2.84Å; S242-Q245 PolarHBondContact O-N 3.44Å; S242-Q245 VanDerWaalsContact O-N 3.14Å; S242-L246 VanDerWaalsContact O-CB 3.29Å; S242-L246 WeakPolarHBondContact O-CB 3.43Å; S242-L246 WeakPolarHBondContact O-CG 3.42Å; S242-L246 PolarHBondContact O-N 3.4Å
243M97.9Very high96.9Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-57.9-44173.8-67.4177.269.900112.2L151 A213 F216 A217 Y228 V239 V240 T241 Q245 L246 F247 V251L151-M243 HydrophobicContact CD2-CE 3.7Å; L151-M243 HydrophobicContact CD2-SD 3.71Å; A213-M243 HydrophobicContact CB-CG 3.59Å; A213-M243 WeakPolarHBondContact O-CG 3.45Å; F216-M243 HydrophobicContact CB-CE 4.03Å; F216-M243 HydrophobicContact CB-SD 3.83Å; A217-M243 HydrophobicContact CB-CE 4.25Å; Y228-M243 HydrophobicContact CE2-CE 3.77Å; Y228-M243 WeakPolarHBondContact OH-CE 3.35Å; V239-M243 HydrophobicContact CG1-SD 4.29Å; V239-M243 WeakPolarHBondContact O-CG 3.43Å; V239-M243 PolarHBondContact O-N 2.92Å; V240-M243 HydrophobicContact CG1-SD 4.44Å; V240-M243 PolarHBondContact O-N 3.42Å; T241-M243 VanDerWaalsContact C-N 3.33Å; T241-M243 PolarHBondContact O-N 3.07Å; M243-Q245 VanDerWaalsContact C-N 3.27Å; M243-Q245 PolarHBondContact O-N 3.29Å; M243-L246 PolarHBondContact O-N 3.22Å; M243-F247 WeakPolarHBondContact O-CA 3.46Å; M243-F247 PolarHBondContact O-N 3.12Å; M243-V251 HydrophobicContact CB-CG2 4.34Å
244A97.6Very high97.1Very high1 Ų118.3 Ų18.31%0.0089%0.091CC..Hα-helixtrans-65.7-28.8178.200000113.2V240 T241 S242 P248 V251 L254 V400 T402V240-A244 WeakPolarHBondContact O-CB 3.21Å; V240-A244 PolarHBondContact O-N 2.94Å; T241-A244 WeakPolarHBondContact O-CB 3.29Å; T241-A244 PolarHBondContact O-N 3.11Å; S242-A244 VanDerWaalsContact C-N 3.33Å; S242-A244 PolarHBondContact O-N 2.84Å; A244-P248 WeakPolarHBondContact O-CA 3.26Å; A244-V251 HydrophobicContact CB-CB 4.31Å; A244-V251 HydrophobicContact CB-CG1 4.2Å; A244-V251 HydrophobicContact CB-CG2 4.34Å; A244-L254 HydrophobicContact CB-CD2 4.06Å; A244-V400 HydrophobicContact CB-CG1 4.34Å; A244-T402 HydrophobicContact CB-CG2 4.35Å; A244-T402 PolarHBondContact O-OG1 3.12Å
245Q96Very high97.2Very high8 Ų817.2 Ų17.24%0.0379%0.086CC..Hα-helixtrans-79.8-44174.9-66.7176.5-73.100111.8I35 T241 S242 M243 L395 A398 P399 V400I35-Q245 VanDerWaalsContact CD1-O 3.23Å; I35-Q245 WeakPolarHBondContact CD1-O 3.28Å; T241-Q245 WeakPolarHBondContact O-CG 3.39Å; T241-Q245 PolarHBondContact O-N 3.04Å; S242-Q245 PolarHBondContact O-N 3.44Å; S242-Q245 VanDerWaalsContact O-N 3.14Å; M243-Q245 VanDerWaalsContact C-N 3.27Å; M243-Q245 PolarHBondContact O-N 3.29Å; Q245-L395 HydrophobicContact CB-CD2 4.22Å; Q245-L395 PolarHBondContact NE2-O 2.66Å; Q245-L395 PolarHBondContact OE1-O 2.82Å; Q245-A398 PolarHBondContact NE2-O 2.85Å; Q245-P399 PolarHBondContact NE2-O 3.16Å; Q245-V400 HydrophobicContact CG-CB 4.5Å; Q245-V400 HydrophobicContact CG-CG2 3.81Å
246L95.5Very high97.3Very high19 Ų1916.8 Ų16.810%0.0998%0.084CC..Hα-helixtrans-75.9-35.7-175.2-68.2176.9000112.9I35 I38 L210 A213 S242 M243 P248 L395I35-L246 HydrophobicContact CG2-CD2 3.46Å; I35-L246 VanDerWaalsContact CG2-CD2 3.46Å; I38-L246 HydrophobicContact CD1-CB 3.66Å; I38-L246 HydrophobicContact CD1-CD1 3.92Å; I38-L246 HydrophobicContact CD1-CD2 3.57Å; I38-L246 HydrophobicContact CD1-CG 3.86Å; I38-L246 HydrophobicContact CG1-CD1 4.43Å; I38-L246 HydrophobicContact CG1-CD2 3.75Å; I38-L246 HydrophobicContact CG1-CG 4.48Å; L210-L246 HydrophobicContact CG-CD1 4.46Å; A213-L246 HydrophobicContact CB-CD1 4.15Å; S242-L246 VanDerWaalsContact O-CB 3.29Å; S242-L246 WeakPolarHBondContact O-CB 3.43Å; S242-L246 WeakPolarHBondContact O-CG 3.42Å; S242-L246 PolarHBondContact O-N 3.4Å; M243-L246 PolarHBondContact O-N 3.22Å; L246-P248 VanDerWaalsContact C-CD 3.48Å; L246-L395 HydrophobicContact CD2-CD2 4.14Å
247F96Very high97.2Very high23 Ų2317 Ų1710%0.1019%0.085CC..  trans-132.957.4-174.1-46.3-70.8000111.3I38 A217 M243 E249 R250 V251I38-F247 HydrophobicContact CD1-CE1 3.69Å; I38-F247 HydrophobicContact CD1-CE2 4.33Å; I38-F247 HydrophobicContact CD1-CZ 3.53Å; A217-F247 HydrophobicContact CB-CD2 3.55Å; A217-F247 HydrophobicContact CB-CE2 3.41Å; A217-F247 VanDerWaalsContact CB-CE2 3.41Å; A217-F247 HydrophobicContact CB-CG 4.25Å; A217-F247 HydrophobicContact CB-CZ 4.01Å; M243-F247 WeakPolarHBondContact O-CA 3.46Å; M243-F247 PolarHBondContact O-N 3.12Å; F247-E249 WeakPolarHBondContact CA-OE2 3.39Å; F247-E249 PolarHBondContact O-N 3.1Å; F247-E249 VanDerWaalsContact O-N 3.11Å; F247-R250 HydrophobicContact CB-CB 4.26Å; F247-R250 HydrophobicContact CB-CG 4.08Å; F247-R250 PolarHBondContact O-N 2.95Å; F247-V251 PolarHBondContact O-N 3.3Å
248P95.2Very high97.1Very high70 Ų7017.2 Ų17.246%0.4559%0.087SC..THydrogen-bonded Turntrans-60.2-24-173.926.7-35.9000113.4A244 L246 R250A244-P248 WeakPolarHBondContact O-CA 3.26Å; L246-P248 VanDerWaalsContact C-CD 3.48Å; P248-R250 VanDerWaalsContact C-N 3.3Å; P248-R250 PolarHBondContact O-N 2.83Å
249E96.2Very high96.9Very high104 Ų10417 Ų1749%0.4869%0.086SC..THydrogen-bonded Turntrans-69.8-26.1176.275.1-69.3169.100113.3R227 F247R227-E249 PolarHBondContact NE-O 3.24Å; F247-E249 WeakPolarHBondContact CA-OE2 3.39Å; F247-E249 PolarHBondContact O-N 3.1Å; F247-E249 VanDerWaalsContact O-N 3.11Å
250R97.8Very high96.4Very high72 Ų7219 Ų1927%0.27210%0.098SC..THydrogen-bonded Turntrans-93-31.5-176.8-52.7-176.2-164.4-166.2-2112.7D226 R227 Y228 F247 P248 I252D226-R250 WeakPolarHBondContact O-CA 3.49Å; D226-R250 WeakPolarHBondContact O-CB 3.28Å; R227-R250 CarbonylContact C-O 3.59Å; R227-R250 VanDerWaalsContact CA-O 3.23Å; R227-R250 WeakPolarHBondContact CA-O 3.49Å; Y228-R250 HydrophobicContact CE1-CB 3.97Å; Y228-R250 PolarHBondContact N-O 3.38Å; F247-R250 HydrophobicContact CB-CB 4.26Å; F247-R250 HydrophobicContact CB-CG 4.08Å; F247-R250 PolarHBondContact O-N 2.95Å; P248-R250 VanDerWaalsContact C-N 3.3Å; P248-R250 PolarHBondContact O-N 2.83Å; R250-I252 PolarHBondContact O-N 2.85Å
251V98.3Very high95.5Very high2 Ų219.3 Ų19.31%0.01210%0.1CC..EExtended strand (participates in β ladder)trans-88.3105.2-178.4-1720000110.2Y228 C230 M243 A244 F247 T402Y228-V251 HydrophobicContact CE2-CG2 4.35Å; Y228-V251 CarbonylContact O-C 3.56Å; Y228-V251 WeakPolarHBondContact O-CA 3.45Å; C230-V251 HydrophobicContact CB-CG1 4.23Å; M243-V251 HydrophobicContact CB-CG2 4.34Å; A244-V251 HydrophobicContact CB-CB 4.31Å; A244-V251 HydrophobicContact CB-CG1 4.2Å; A244-V251 HydrophobicContact CB-CG2 4.34Å; F247-V251 PolarHBondContact O-N 3.3Å; V251-T402 HydrophobicContact CB-CG2 4.16Å; V251-T402 HydrophobicContact CG1-CG2 3.84Å; V251-T402 WeakPolarHBondContact O-CG2 3.35Å
252I97.1Very high94.4Very high19 Ų1921.1 Ų21.110%0.09711%0.109CC..EExtended strand (participates in β ladder)trans-63.3-45.9178.4-59.1169.9000110.4R227 Y228 F229 R250 I460R227-I252 HydrophobicContact CB-CD1 3.84Å; R227-I252 HydrophobicContact CB-CG1 3.72Å; Y228-I252 PolarHBondContact O-N 2.73Å; F229-I252 HydrophobicContact CD1-CB 4.48Å; F229-I252 HydrophobicContact CD2-CB 4.41Å; F229-I252 HydrophobicContact CD2-CD1 4.36Å; F229-I252 HydrophobicContact CD2-CG2 4.49Å; F229-I252 HydrophobicContact CE1-CB 4.33Å; F229-I252 HydrophobicContact CE1-CG2 3.9Å; F229-I252 HydrophobicContact CE2-CB 4.25Å; F229-I252 HydrophobicContact CE2-CD1 4.25Å; F229-I252 HydrophobicContact CE2-CG2 3.86Å; F229-I252 HydrophobicContact CZ-CB 4.21Å; F229-I252 HydrophobicContact CZ-CG2 3.52Å; R250-I252 PolarHBondContact O-N 2.85Å; I252-I460 HydrophobicContact CG2-CG2 3.92Å
253G98Very high92.7Very high0 Ų021.8 Ų21.80%011%0.114CC..EExtended strand (participates in β ladder)trans-157.4142-178.500000111.3F229 C230 P403F229-G253 WeakPolarHBondContact CA-O 3.46Å; C230-G253 PolarHBondContact N-O 2.93Å; G253-P403 WeakPolarHBondContact CA-O 3.31Å
254L98.6Very high91.1Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-107.1115.1-179.9179.365000109.8C230 V240 A244 L256 V400 T402 P403 T404 A405C230-L254 HydrophobicContact CB-CD1 4.24Å; V240-L254 HydrophobicContact CB-CD1 3.84Å; V240-L254 HydrophobicContact CG2-CD1 3.5Å; A244-L254 HydrophobicContact CB-CD2 4.06Å; L254-L256 HydrophobicContact CD1-CD2 3.68Å; L254-L256 HydrophobicContact CD1-CG 4.32Å; L254-L256 HydrophobicContact CD2-CD1 4.22Å; L254-L256 HydrophobicContact CD2-CD2 4.47Å; L254-L256 HydrophobicContact CD2-CG 4.41Å; L254-L256 HydrophobicContact CG-CD1 4.39Å; L254-L256 HydrophobicContact CG-CD2 3.97Å; L254-L256 HydrophobicContact CG-CG 4.04Å; L254-V400 HydrophobicContact CD2-CG1 3.95Å; L254-T402 HydrophobicContact CB-CG2 4.25Å; L254-P403 PolarHBondContact N-O 3.06Å; L254-T404 HydrophobicContact CB-CG2 4.49Å; L254-T404 HydrophobicContact CD2-CG2 4.32Å; L254-T404 HydrophobicContact CG-CG2 4.4Å; L254-T404 CarbonylContact O-C 3.54Å; L254-T404 WeakPolarHBondContact O-CA 3.25Å; L254-A405 PolarHBondContact O-N 3.07Å
255H98.5Very high89.5Confident1 Ų128.1 Ų28.11%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-108.8128.6174.6-175.8-65.8000110.3C230 H231 G232 A405 D452 L453 F456C230-H255 PolarHBondContact O-N 3.24Å; H231-H255 VanDerWaalsContact CA-O 3.22Å; H231-H255 WeakPolarHBondContact CA-O 3.39Å; H231-H255 AromaticContact CE1-CE1 3.74Å; H231-H255 AromaticContact CE1-ND1 3.3Å; H231-H255 PolarHBondContact CE1-ND1 3.45Å; H231-H255 VanDerWaalsContact CE1-ND1 3.3Å; H231-H255 AromaticContact ND1-CE1 3.65Å; H231-H255 AromaticContact ND1-CG 3.62Å; H231-H255 AromaticContact ND1-ND1 2.87Å; H231-H255 PolarHBondContact ND1-ND1 3.13Å; G232-H255 PolarHBondContact N-O 3.39Å; H255-A405 WeakPolarHBondContact CA-O 3.26Å; H255-D452 IonicContact NE2-OD2 3.87Å; H255-D452 PolarHBondContact NE2-OD2 3.29Å; H255-L453 HydrophobicContact CB-CD2 3.59Å; H255-L453 VanDerWaalsContact CD2-CD2 3.45Å; H255-L453 WeakPolarHBondContact CD2-CD2 3.46Å; H255-F456 HydrophobicContact CB-CD1 4Å; H255-F456 HydrophobicContact CB-CE1 4.04Å
256L98.4Very high88.1Confident1 Ų128 Ų281%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-129.5141.7179.9-51.7177.1000110.6V240 L254 T258 V259 A405 I406 A407V240-L256 HydrophobicContact CG2-CD2 3.57Å; L254-L256 HydrophobicContact CD1-CD2 3.68Å; L254-L256 HydrophobicContact CD1-CG 4.32Å; L254-L256 HydrophobicContact CD2-CD1 4.22Å; L254-L256 HydrophobicContact CD2-CD2 4.47Å; L254-L256 HydrophobicContact CD2-CG 4.41Å; L254-L256 HydrophobicContact CG-CD1 4.39Å; L254-L256 HydrophobicContact CG-CD2 3.97Å; L254-L256 HydrophobicContact CG-CG 4.04Å; L256-T258 WeakPolarHBondContact CB-O 3.45Å; L256-V259 HydrophobicContact CD1-CG2 4.43Å; L256-A405 PolarHBondContact N-O 2.9Å; L256-I406 HydrophobicContact CB-CD1 3.76Å; L256-I406 HydrophobicContact CD1-CD1 3.91Å; L256-I406 HydrophobicContact CG-CD1 4.13Å; L256-I406 CarbonylContact O-C 3.45Å; L256-I406 WeakPolarHBondContact O-CA 3.29Å; L256-A407 PolarHBondContact O-N 2.84Å
257N96.5Very high86.6Confident4 Ų427.7 Ų27.72%0.02114%0.14CC..SBendtrans-104.1-6.7164.671.9-44.2000112.9G232 S233 A407 F409 H439 L449G232-N257 PolarHBondContact O-OD1 3.44Å; S233-N257 WeakPolarHBondContact CA-OD1 3.33Å; S233-N257 WeakPolarHBondContact CB-OD1 3.25Å; N257-A407 VanDerWaalsContact CA-O 3.31Å; N257-A407 WeakPolarHBondContact CA-O 3.38Å; N257-A407 HydrophobicContact CB-CB 4.43Å; N257-F409 HydrophobicContact CB-CD2 3.93Å; N257-F409 HydrophobicContact CB-CE2 3.79Å; N257-H439 PolarHBondContact ND2-O 2.93Å; N257-L449 HydrophobicContact CB-CD1 4.37Å
258T94.4Very high85.2Confident6 Ų629.3 Ų29.34%0.03715%0.147CC..  trans-132.4139.4173.856.10000108.5S233 Q234 S237 L256 E412S233-T258 WeakPolarHBondContact CA-OG1 3.32Å; Q234-T258 PolarHBondContact N-OG1 2.99Å; S237-T258 VanDerWaalsContact CB-O 3.26Å; S237-T258 WeakPolarHBondContact CB-O 3.38Å; S237-T258 WeakPolarHBondContact CB-OG1 3.43Å; S237-T258 PolarHBondContact OG-O 2.65Å; S237-T258 PolarHBondContact OG-OG1 2.82Å; L256-T258 WeakPolarHBondContact CB-O 3.45Å; T258-E412 WeakPolarHBondContact CG2-OE2 3.44Å
259V92.2Very high83.9Confident11 Ų1126 Ų267%0.06713%0.126CC..  trans-125.6130.8177.5-1750000107.6L256 L261 I406 Y416 I421L256-V259 HydrophobicContact CD1-CG2 4.43Å; V259-L261 HydrophobicContact CG1-CD2 4.13Å; V259-L261 HydrophobicContact CG1-CG 4.01Å; V259-I406 HydrophobicContact CG2-CD1 3.56Å; V259-I406 HydrophobicContact CG2-CG1 4.3Å; V259-I406 HydrophobicContact CG2-CG2 3.95Å; V259-Y416 WeakPolarHBondContact O-CE2 3.37Å; V259-I421 HydrophobicContact CG1-CG1 4.21Å; V259-I421 HydrophobicContact CG1-CG2 4.48Å; V259-I421 HydrophobicContact CG2-CD1 4.29Å
260T87.4Confident82.4Confident41 Ų4122.5 Ų22.525%0.25211%0.108SC..  trans-104.2118.9171.5-60.60000109L238 L396L238-T260 HydrophobicContact CD1-CG2 4.49Å; L238-T260 HydrophobicContact CD2-CG2 4.16Å; T260-L396 HydrophobicContact CG2-CD2 4.03Å
261L80.6Confident81Confident7 Ų723.4 Ų23.44%0.03712%0.121CC..  trans-122.8136.2169.9-58177.1000109.1V259 L269 Y416 F420 I421 K424V259-L261 HydrophobicContact CG1-CD2 4.13Å; V259-L261 HydrophobicContact CG1-CG 4.01Å; L261-L269 HydrophobicContact CB-CD1 4.21Å; L261-L269 HydrophobicContact CD1-CD1 4.16Å; L261-Y416 HydrophobicContact CB-CD1 3.86Å; L261-Y416 HydrophobicContact CB-CD2 4.37Å; L261-Y416 HydrophobicContact CB-CE1 3.68Å; L261-Y416 HydrophobicContact CB-CE2 4.25Å; L261-Y416 HydrophobicContact CB-CG 4.18Å; L261-Y416 HydrophobicContact CD1-CD1 3.98Å; L261-Y416 HydrophobicContact CD1-CD2 4.29Å; L261-Y416 HydrophobicContact CD1-CG 3.75Å; L261-Y416 HydrophobicContact CG-CD1 4.28Å; L261-Y416 HydrophobicContact CG-CD2 4.23Å; L261-Y416 HydrophobicContact CG-CE1 4.49Å; L261-Y416 HydrophobicContact CG-CE2 4.49Å; L261-Y416 HydrophobicContact CG-CG 4.12Å; L261-Y416 PolarHBondContact N-OH 2.79Å; L261-Y416 WeakPolarHBondContact O-CE1 3.24Å; L261-Y416 VanDerWaalsContact O-CZ 3.24Å; L261-Y416 PolarHBondContact O-OH 3.16Å; L261-F420 HydrophobicContact CD1-CB 3.85Å; L261-I421 HydrophobicContact CD1-CG1 3.99Å; L261-K424 HydrophobicContact CD2-CB 3.74Å; L261-K424 HydrophobicContact CD2-CD 3.45Å; L261-K424 VanDerWaalsContact CD2-CD 3.45Å; L261-K424 HydrophobicContact CD2-CG 4.21Å
262N73.1Confident79.5Confident47 Ų4726.3 Ų26.325%0.25113%0.134SC..  trans-109.6102.9166.6-168.8-22.7000108.6F264 I265 Y266N262-F264 PolarHBondContact O-N 3.11Å; N262-F264 VanDerWaalsContact O-N 3.13Å; N262-F264 WeakPolarHBondContact OD1-CA 3.22Å; N262-F264 WeakPolarHBondContact OD1-CB 3.44Å; N262-F264 WeakPolarHBondContact OD1-CD2 3.24Å; N262-F264 PolarHBondContact OD1-N 2.76Å; N262-I265 HydrophobicContact CB-CB 4.15Å; N262-I265 HydrophobicContact CB-CD1 4.05Å; N262-I265 HydrophobicContact CB-CG1 4.1Å; N262-I265 WeakPolarHBondContact ND2-CD1 3.46Å; N262-I265 PolarHBondContact O-N 3.01Å; N262-Y266 PolarHBondContact O-N 3.24Å
263P62.5Low78Confident22 Ų2227.3 Ų27.314%0.14314%0.139CC..THydrogen-bonded Turntrans-60.7-24.3178.225.4-32000111.4I265 Y266 L269 L273P263-I265 PolarHBondContact O-N 3.14Å; P263-Y266 CarbonylContact O-C 3.57Å; P263-Y266 PolarHBondContact O-N 3.09Å; P263-Y266 VanDerWaalsContact O-O 3.13Å; P263-L269 HydrophobicContact CB-CB 3.96Å; P263-L273 HydrophobicContact CB-CD2 4.47Å
264F63.8Low76.6Confident106 Ų10630.4 Ų30.447%0.46516%0.158SC..THydrogen-bonded Turntrans-67.3-26.3178-60.2-104.5000113.8N262 W270N262-F264 PolarHBondContact O-N 3.11Å; N262-F264 VanDerWaalsContact O-N 3.13Å; N262-F264 WeakPolarHBondContact OD1-CA 3.22Å; N262-F264 WeakPolarHBondContact OD1-CB 3.44Å; N262-F264 WeakPolarHBondContact OD1-CD2 3.24Å; N262-F264 PolarHBondContact OD1-N 2.76Å; F264-W270 HydrophobicContact CB-CZ2 4.34Å; F264-W270 AromaticContact CD1-CE2 3.66Å; F264-W270 AromaticContact CD1-CH2 3.54Å; F264-W270 HydrophobicContact CD1-CH2 3.54Å; F264-W270 AromaticContact CD1-CZ2 2.92Å; F264-W270 HydrophobicContact CD1-CZ2 2.92Å; F264-W270 AromaticContact CE1-CH2 3.09Å; F264-W270 HydrophobicContact CE1-CH2 3.09Å; F264-W270 AromaticContact CE1-CZ2 3.06Å; F264-W270 HydrophobicContact CE1-CZ2 3.06Å; F264-W270 HydrophobicContact CE1-CZ3 4.28Å; F264-W270 HydrophobicContact CG-CH2 4.38Å; F264-W270 AromaticContact CG-CZ2 3.71Å; F264-W270 HydrophobicContact CG-CZ2 3.71Å; F264-W270 AromaticContact CZ-CH2 3.66Å; F264-W270 HydrophobicContact CZ-CH2 3.66Å; F264-W270 AromaticContact CZ-CZ2 3.96Å; F264-W270 HydrophobicContact CZ-CZ2 3.96Å; F264-W270 PolarHBondContact O-NE1 2.99Å
265I64.7Low75.1Confident27 Ų2736.3 Ų36.314%0.13818%0.184CC..THydrogen-bonded Turntrans-110-8.9-173.8-54.3178.7000110.9N262 P263 P267 F393N262-I265 HydrophobicContact CB-CB 4.15Å; N262-I265 HydrophobicContact CB-CD1 4.05Å; N262-I265 HydrophobicContact CB-CG1 4.1Å; N262-I265 WeakPolarHBondContact ND2-CD1 3.46Å; N262-I265 PolarHBondContact O-N 3.01Å; P263-I265 PolarHBondContact O-N 3.14Å; I265-P267 WeakPolarHBondContact O-CD 3.45Å; I265-F393 HydrophobicContact CD1-CB 4.17Å; I265-F393 HydrophobicContact CD1-CD1 3.22Å; I265-F393 HydrophobicContact CD1-CE1 3.87Å; I265-F393 HydrophobicContact CD1-CG 4.02Å; I265-F393 HydrophobicContact CG2-CB 4.49Å; I265-F393 WeakPolarHBondContact CG2-O 3.47Å
266Y65.3Low73.5Confident7 Ų740.3 Ų40.33%0.02721%0.205CC..  trans-113.287.1173.4-147.8-80.1000108.3N262 P263 K268 L269 W270 G397 Q423 K424 K426N262-Y266 PolarHBondContact O-N 3.24Å; P263-Y266 CarbonylContact O-C 3.57Å; P263-Y266 PolarHBondContact O-N 3.09Å; P263-Y266 VanDerWaalsContact O-O 3.13Å; Y266-K268 HydrophobicContact CD1-CB 4.04Å; Y266-K268 HydrophobicContact CE1-CB 4.08Å; Y266-K268 HydrophobicContact CE1-CD 4.21Å; Y266-K268 PolarHBondContact O-N 3Å; Y266-L269 HydrophobicContact CD1-CD1 4.31Å; Y266-L269 HydrophobicContact CD1-CG 3.75Å; Y266-L269 HydrophobicContact CG-CD1 4.19Å; Y266-L269 HydrophobicContact CG-CG 4.09Å; Y266-L269 WeakPolarHBondContact O-CA 3.5Å; Y266-L269 WeakPolarHBondContact O-CB 3.45Å; Y266-L269 PolarHBondContact O-N 3.26Å; Y266-W270 PolarHBondContact O-N 3.09Å; Y266-G397 WeakPolarHBondContact CD2-O 3.4Å; Y266-G397 WeakPolarHBondContact CE2-O 3.48Å; Y266-Q423 HydrophobicContact CE1-CB 4.23Å; Y266-Q423 PolarHBondContact OH-O 3.49Å; Y266-K424 HydrophobicContact CE2-CB 4.35Å; Y266-K424 HydrophobicContact CE2-CG 4.43Å; Y266-K426 PolarHBondContact OH-NZ 2.93Å
267P63.6Low71.9Confident11 Ų1143 Ų437%0.07122%0.219CC..Hα-helixtrans-58.7-27-167.8-27.538.1000114L29 I265 L269 W270 V271L29-P267 HydrophobicContact CB-CB 4.34Å; L29-P267 HydrophobicContact CD2-CB 3.35Å; L29-P267 WeakPolarHBondContact CD2-O 3.37Å; L29-P267 HydrophobicContact CG-CB 3.49Å; L29-P267 VanDerWaalsContact CG-CB 3.49Å; I265-P267 WeakPolarHBondContact O-CD 3.45Å; P267-L269 VanDerWaalsContact C-N 3.28Å; P267-L269 PolarHBondContact O-N 2.99Å; P267-W270 VanDerWaalsContact O-CB 3.25Å; P267-W270 WeakPolarHBondContact O-CB 3.41Å; P267-W270 PolarHBondContact O-N 3.04Å; P267-V271 PolarHBondContact O-N 3.17Å
268K67.2Low70.5Confident58 Ų5845.8 Ų45.825%0.25224%0.236SC..Hα-helixtrans-63.9-30172.9-61.6172.9-176168.10113L29 D32 Y266L29-K268 VanDerWaalsContact O-CE 3.28Å; L29-K268 WeakPolarHBondContact O-CE 3.45Å; D32-K268 IonicContact OD1-NZ 3.29Å; D32-K268 PolarHBondContact OD1-NZ 2.89Å; Y266-K268 HydrophobicContact CD1-CB 4.04Å; Y266-K268 HydrophobicContact CE1-CB 4.08Å; Y266-K268 HydrophobicContact CE1-CD 4.21Å; Y266-K268 PolarHBondContact O-N 3Å
269L67.5Low69.1Low0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-77.7-34.3174.1-62.8-174.8000111.7L261 P263 Y266 P267 K272 L273 F420 Q423L261-L269 HydrophobicContact CB-CD1 4.21Å; L261-L269 HydrophobicContact CD1-CD1 4.16Å; P263-L269 HydrophobicContact CB-CB 3.96Å; Y266-L269 HydrophobicContact CD1-CD1 4.31Å; Y266-L269 HydrophobicContact CD1-CG 3.75Å; Y266-L269 HydrophobicContact CG-CD1 4.19Å; Y266-L269 HydrophobicContact CG-CG 4.09Å; Y266-L269 WeakPolarHBondContact O-CA 3.5Å; Y266-L269 WeakPolarHBondContact O-CB 3.45Å; Y266-L269 PolarHBondContact O-N 3.26Å; P267-L269 VanDerWaalsContact C-N 3.28Å; P267-L269 PolarHBondContact O-N 2.99Å; L269-K272 CarbonylContact O-C 3.6Å; L269-K272 PolarHBondContact O-N 3.11Å; L269-L273 WeakPolarHBondContact O-CB 3.48Å; L269-L273 PolarHBondContact O-N 3.13Å; L269-F420 HydrophobicContact CB-CD2 4.19Å; L269-F420 HydrophobicContact CB-CE2 4.3Å; L269-F420 HydrophobicContact CD1-CB 4.43Å; L269-F420 HydrophobicContact CD1-CD2 4.18Å; L269-F420 HydrophobicContact CD2-CB 3.7Å; L269-F420 HydrophobicContact CD2-CD1 4.34Å; L269-F420 HydrophobicContact CD2-CD2 3.75Å; L269-F420 HydrophobicContact CD2-CE2 4.43Å; L269-F420 HydrophobicContact CD2-CG 3.68Å; L269-F420 HydrophobicContact CG-CD2 4.25Å; L269-Q423 HydrophobicContact CD2-CB 3.9Å; L269-Q423 HydrophobicContact CD2-CG 4.15Å
270W65.8Low67.4Low31 Ų3149.2 Ų49.212%0.11726%0.257CS..Hα-helixtrans-56.2-49.3174.1-105134.3000112.5I19 F264 Y266 P267 K272 L273 V274I19-W270 HydrophobicContact CB-CH2 4.46Å; I19-W270 HydrophobicContact CD1-CH2 4.32Å; I19-W270 HydrophobicContact CD1-CZ3 4.36Å; I19-W270 HydrophobicContact CG1-CH2 3.51Å; I19-W270 HydrophobicContact CG1-CZ2 4.48Å; I19-W270 HydrophobicContact CG1-CZ3 3.94Å; F264-W270 HydrophobicContact CB-CZ2 4.34Å; F264-W270 AromaticContact CD1-CE2 3.66Å; F264-W270 AromaticContact CD1-CH2 3.54Å; F264-W270 HydrophobicContact CD1-CH2 3.54Å; F264-W270 AromaticContact CD1-CZ2 2.92Å; F264-W270 HydrophobicContact CD1-CZ2 2.92Å; F264-W270 AromaticContact CE1-CH2 3.09Å; F264-W270 HydrophobicContact CE1-CH2 3.09Å; F264-W270 AromaticContact CE1-CZ2 3.06Å; F264-W270 HydrophobicContact CE1-CZ2 3.06Å; F264-W270 HydrophobicContact CE1-CZ3 4.28Å; F264-W270 HydrophobicContact CG-CH2 4.38Å; F264-W270 AromaticContact CG-CZ2 3.71Å; F264-W270 HydrophobicContact CG-CZ2 3.71Å; F264-W270 AromaticContact CZ-CH2 3.66Å; F264-W270 HydrophobicContact CZ-CH2 3.66Å; F264-W270 AromaticContact CZ-CZ2 3.96Å; F264-W270 HydrophobicContact CZ-CZ2 3.96Å; F264-W270 PolarHBondContact O-NE1 2.99Å; Y266-W270 PolarHBondContact O-N 3.09Å; P267-W270 VanDerWaalsContact O-CB 3.25Å; P267-W270 WeakPolarHBondContact O-CB 3.41Å; P267-W270 PolarHBondContact O-N 3.04Å; W270-K272 VanDerWaalsContact C-N 3.28Å; W270-K272 PolarHBondContact O-N 3.06Å; W270-L273 HydrophobicContact CE3-CD2 4Å; W270-L273 HydrophobicContact CZ3-CD2 3.91Å; W270-L273 WeakPolarHBondContact O-CB 3.37Å; W270-L273 PolarHBondContact O-N 3.21Å; W270-L273 VanDerWaalsContact O-N 3.08Å; W270-V274 HydrophobicContact CE3-CG2 4.14Å; W270-V274 HydrophobicContact CZ3-CG2 4.48Å; W270-V274 WeakPolarHBondContact O-CG2 3.43Å; W270-V274 PolarHBondContact O-N 2.54Å
271V67.5Low66.3Low91 Ų9152.6 Ų52.655%0.55227%0.273SS*.Hα-helixtrans-58.3-44.4177.9176.70000110.4L29 P267 L273 F275L29-V271 HydrophobicContact CD2-CG2 3.92Å; P267-V271 PolarHBondContact O-N 3.17Å; V271-L273 PolarHBondContact O-N 3.48Å; V271-F275 WeakPolarHBondContact O-CB 3.1Å; V271-F275 PolarHBondContact O-N 3.26Å
272K66Low65.3Low62 Ų6258.7 Ų58.727%0.2731%0.305SS..Hα-helixtrans-63.6-39.8175-71.7-171.7-179.6-171.50112.6L269 W270 N276 S419 F420L269-K272 CarbonylContact O-C 3.6Å; L269-K272 PolarHBondContact O-N 3.11Å; W270-K272 VanDerWaalsContact C-N 3.28Å; W270-K272 PolarHBondContact O-N 3.06Å; K272-N276 WeakPolarHBondContact O-CB 3.31Å; K272-N276 PolarHBondContact O-N 3.37Å; K272-N276 PolarHBondContact O-ND2 3.41Å; K272-N276 PolarHBondContact O-OD1 3.13Å; K272-S419 PolarHBondContact NZ-O 3.31Å; K272-F420 HydrophobicContact CB-CE1 3.77Å; K272-F420 HydrophobicContact CB-CZ 3.72Å; K272-F420 HydrophobicContact CD-CD1 4.26Å; K272-F420 HydrophobicContact CD-CE1 3.97Å
273L66.8Low64.6Low41 Ų4160.9 Ų60.922%0.21532%0.32CS..Hα-helixtrans-64.6-49.8179.7-173.472.2000110.6P263 L269 W270 V271 N276 I277P263-L273 HydrophobicContact CB-CD2 4.47Å; L269-L273 WeakPolarHBondContact O-CB 3.48Å; L269-L273 PolarHBondContact O-N 3.13Å; W270-L273 HydrophobicContact CE3-CD2 4Å; W270-L273 HydrophobicContact CZ3-CD2 3.91Å; W270-L273 WeakPolarHBondContact O-CB 3.37Å; W270-L273 PolarHBondContact O-N 3.21Å; W270-L273 VanDerWaalsContact O-N 3.08Å; V271-L273 PolarHBondContact O-N 3.48Å; L273-N276 PolarHBondContact O-N 3.1Å; L273-I277 HydrophobicContact CD1-CD1 4.36Å; L273-I277 HydrophobicContact CG-CD1 4.06Å; L273-I277 VanDerWaalsContact O-CG1 3.31Å; L273-I277 WeakPolarHBondContact O-CG1 3.47Å; L273-I277 PolarHBondContact O-N 2.94Å
274V67.8Low64Low64 Ų6464.7 Ų64.739%0.38834%0.343SS..Hα-helixtrans-61.9-47.3177.2174.90000110.2W270 N276 I277 V278W270-V274 HydrophobicContact CE3-CG2 4.14Å; W270-V274 HydrophobicContact CZ3-CG2 4.48Å; W270-V274 WeakPolarHBondContact O-CG2 3.43Å; W270-V274 PolarHBondContact O-N 2.54Å; V274-N276 VanDerWaalsContact C-N 3.34Å; V274-N276 PolarHBondContact O-N 3.09Å; V274-I277 PolarHBondContact O-N 3.4Å; V274-I277 VanDerWaalsContact O-N 3.14Å; V274-V278 HydrophobicContact CG1-CG2 3.85Å; V274-V278 VanDerWaalsContact O-CB 3.3Å; V274-V278 WeakPolarHBondContact O-CB 3.35Å; V274-V278 VanDerWaalsContact O-CG2 3.29Å; V274-V278 WeakPolarHBondContact O-CG2 3.05Å; V274-V278 PolarHBondContact O-N 2.96Å
275F68.6Low63.7Low125 Ų12564.2 Ų64.255%0.54835%0.352SS..Hα-helixtrans-56.8-47.5176.1-174.2-88.7000111.5V271 I277 V278 V279V271-F275 WeakPolarHBondContact O-CB 3.1Å; V271-F275 PolarHBondContact O-N 3.26Å; F275-I277 PolarHBondContact O-N 3.37Å; F275-V278 PolarHBondContact O-N 2.76Å; F275-V279 HydrophobicContact CD1-CG2 4.02Å; F275-V279 HydrophobicContact CD2-CG2 3.61Å; F275-V279 HydrophobicContact CE1-CB 4.36Å; F275-V279 HydrophobicContact CE1-CG1 4.49Å; F275-V279 HydrophobicContact CE1-CG2 3.95Å; F275-V279 HydrophobicContact CE2-CG2 3.55Å; F275-V279 HydrophobicContact CG-CG2 3.85Å; F275-V279 HydrophobicContact CZ-CB 4.47Å; F275-V279 HydrophobicContact CZ-CG1 4.43Å; F275-V279 HydrophobicContact CZ-CG2 3.73Å; F275-V279 WeakPolarHBondContact O-CB 3.46Å; F275-V279 VanDerWaalsContact O-CG2 3.26Å; F275-V279 WeakPolarHBondContact O-CG2 3.1Å; F275-V279 PolarHBondContact O-N 3.04Å
276N64.3Low63.1Low85 Ų8566.8 Ų66.846%0.45538%0.378SS..Hα-helixtrans-68.4-17.8179.5-72.5-6.3000114.1K272 L273 V274 P280K272-N276 WeakPolarHBondContact O-CB 3.31Å; K272-N276 PolarHBondContact O-N 3.37Å; K272-N276 PolarHBondContact O-ND2 3.41Å; K272-N276 PolarHBondContact O-OD1 3.13Å; L273-N276 PolarHBondContact O-N 3.1Å; V274-N276 VanDerWaalsContact C-N 3.34Å; V274-N276 PolarHBondContact O-N 3.09Å; N276-P280 WeakPolarHBondContact O-CD 3.49Å; N276-P280 WeakPolarHBondContact O-CG 3.26Å
277I65.2Low62.7Low58 Ų5872.7 Ų72.730%0.29741%0.41SS..Hα-helixtrans-91.3-49.3174.1-68.8167.1000110L273 V274 F275 I281 L292L273-I277 HydrophobicContact CD1-CD1 4.36Å; L273-I277 HydrophobicContact CG-CD1 4.06Å; L273-I277 VanDerWaalsContact O-CG1 3.31Å; L273-I277 WeakPolarHBondContact O-CG1 3.47Å; L273-I277 PolarHBondContact O-N 2.94Å; V274-I277 PolarHBondContact O-N 3.4Å; V274-I277 VanDerWaalsContact O-N 3.14Å; F275-I277 PolarHBondContact O-N 3.37Å; I277-I281 HydrophobicContact CG2-CD1 3.96Å; I277-I281 VanDerWaalsContact O-CD1 3.24Å; I277-I281 WeakPolarHBondContact O-CD1 3.34Å; I277-I281 VanDerWaalsContact O-CG1 3.23Å; I277-I281 WeakPolarHBondContact O-CG1 3.42Å; I277-L292 HydrophobicContact CG1-CD1 4.49Å; I277-L292 HydrophobicContact CG2-CD1 4.17Å
278V65.9Low62.3Low62 Ų6275.7 Ų75.738%0.37643%0.425SS..Hα-helixtrans-75.2-41.2-170.6174.20000111.6V274 F275 I281 L282V274-V278 HydrophobicContact CG1-CG2 3.85Å; V274-V278 VanDerWaalsContact O-CB 3.3Å; V274-V278 WeakPolarHBondContact O-CB 3.35Å; V274-V278 VanDerWaalsContact O-CG2 3.29Å; V274-V278 WeakPolarHBondContact O-CG2 3.05Å; V274-V278 PolarHBondContact O-N 2.96Å; F275-V278 PolarHBondContact O-N 2.76Å; V278-I281 PolarHBondContact O-N 3.17Å; V278-L282 HydrophobicContact CG1-CD1 3.47Å; V278-L282 VanDerWaalsContact CG1-CD1 3.47Å; V278-L282 HydrophobicContact CG1-CG 4.08Å; V278-L282 WeakPolarHBondContact O-CB 3.43Å; V278-L282 VanDerWaalsContact O-CG 3.31Å; V278-L282 WeakPolarHBondContact O-CG 3.14Å; V278-L282 PolarHBondContact O-N 3.25Å
279V64.8Low61.7Low47 Ų4779.1 Ų79.129%0.28544%0.44SS..Hα-helixtrans-65.3-45.9-176.9175.30000112F275 I281 L282 V283F275-V279 HydrophobicContact CD1-CG2 4.02Å; F275-V279 HydrophobicContact CD2-CG2 3.61Å; F275-V279 HydrophobicContact CE1-CB 4.36Å; F275-V279 HydrophobicContact CE1-CG1 4.49Å; F275-V279 HydrophobicContact CE1-CG2 3.95Å; F275-V279 HydrophobicContact CE2-CG2 3.55Å; F275-V279 HydrophobicContact CG-CG2 3.85Å; F275-V279 HydrophobicContact CZ-CB 4.47Å; F275-V279 HydrophobicContact CZ-CG1 4.43Å; F275-V279 HydrophobicContact CZ-CG2 3.73Å; F275-V279 WeakPolarHBondContact O-CB 3.46Å; F275-V279 VanDerWaalsContact O-CG2 3.26Å; F275-V279 WeakPolarHBondContact O-CG2 3.1Å; F275-V279 PolarHBondContact O-N 3.04Å; V279-I281 VanDerWaalsContact C-N 3.27Å; V279-I281 PolarHBondContact O-N 3.3Å; V279-L282 PolarHBondContact O-N 2.87Å; V279-L282 VanDerWaalsContact O-N 3.12Å; V279-V283 HydrophobicContact CG1-CB 4.41Å; V279-V283 HydrophobicContact CG1-CG2 3.79Å; V279-V283 WeakPolarHBondContact O-CB 3.46Å; V279-V283 VanDerWaalsContact O-CG2 3.31Å; V279-V283 WeakPolarHBondContact O-CG2 3.22Å; V279-V283 PolarHBondContact O-N 3.22Å
280P57.9Low61.2Low41 Ų4183 Ų8327%0.26646%0.461SS..Hα-helixtrans-61.8-33.5174.8-26.637.8000113.7N276 D288N276-P280 WeakPolarHBondContact O-CD 3.49Å; N276-P280 WeakPolarHBondContact O-CG 3.26Å; P280-D288 HydrophobicContact CB-CB 4.03Å
281I63.3Low60.6Low113 Ų11384.9 Ų84.958%0.57948%0.476SS*.Hα-helixtrans-66.3-38174.8-67.6167.9000111.4I277 V278 V279 L292I277-I281 HydrophobicContact CG2-CD1 3.96Å; I277-I281 VanDerWaalsContact O-CD1 3.24Å; I277-I281 WeakPolarHBondContact O-CD1 3.34Å; I277-I281 VanDerWaalsContact O-CG1 3.23Å; I277-I281 WeakPolarHBondContact O-CG1 3.42Å; V278-I281 PolarHBondContact O-N 3.17Å; V279-I281 VanDerWaalsContact C-N 3.27Å; V279-I281 PolarHBondContact O-N 3.3Å; I281-L292 HydrophobicContact CD1-CD2 4.27Å; I281-L292 HydrophobicContact CG1-CD2 4.35Å
282L59.4Low60Low134 Ų13482.5 Ų82.570%0.70246%0.46SS*.Hα-helixtrans-86.7-27.5-174.6-70175.9000114.2V278 V279V278-L282 HydrophobicContact CG1-CD1 3.47Å; V278-L282 VanDerWaalsContact CG1-CD1 3.47Å; V278-L282 HydrophobicContact CG1-CG 4.08Å; V278-L282 WeakPolarHBondContact O-CB 3.43Å; V278-L282 VanDerWaalsContact O-CG 3.31Å; V278-L282 WeakPolarHBondContact O-CG 3.14Å; V278-L282 PolarHBondContact O-N 3.25Å; V279-L282 PolarHBondContact O-N 2.87Å; V279-L282 VanDerWaalsContact O-N 3.12Å
283V58.4Low59.9Low94 Ų9483.1 Ų83.157%0.5747%0.466SS*.Hα-helixtrans-103-41.5-162.5-176.20000114.8V279V279-V283 HydrophobicContact CG1-CB 4.41Å; V279-V283 HydrophobicContact CG1-CG2 3.79Å; V279-V283 WeakPolarHBondContact O-CB 3.46Å; V279-V283 VanDerWaalsContact O-CG2 3.31Å; V279-V283 WeakPolarHBondContact O-CG2 3.22Å; V279-V283 PolarHBondContact O-N 3.22Å
284T50.8Low59.8Low101 Ų10187.7 Ų87.762%0.6248%0.484SS*.  trans-179.6156.8177.424.10000117.7
285S56.3Low59.6Low96 Ų9687.9 Ų87.967%0.67149%0.485SS*.  trans31.2157.915776.70000124.9D287 D288S285-D287 VanDerWaalsContact C-N 3.33Å; S285-D287 PolarHBondContact O-N 3.5Å; S285-D287 VanDerWaalsContact O-N 3.1Å; S285-D288 PolarHBondContact O-N 3Å
286A53.7Low59.4Low81 Ų8185.7 Ų85.767%0.66948%0.479SS*.THydrogen-bonded Turntrans-58.3-21-162.900000118D288A286-D288 VanDerWaalsContact C-N 3.34Å; A286-D288 PolarHBondContact O-N 2.86Å
287D55.1Low59.7Low131 Ų13184.6 Ų84.670%0.70148%0.478SS*.THydrogen-bonded Turntrans-72.8-25.6-177.2-78.8-34.9000113.2S285 N290S285-D287 VanDerWaalsContact C-N 3.33Å; S285-D287 PolarHBondContact O-N 3.5Å; S285-D287 VanDerWaalsContact O-N 3.1Å; D287-N290 WeakPolarHBondContact O-CB 3.4Å
288D55Low59.8Low75 Ų7586.6 Ų86.640%0.40148%0.482SS..THydrogen-bonded Turntrans-86.6-15.6179-93.9-27.8000114.1P280 S285 A286 N290 T291 L292P280-D288 HydrophobicContact CB-CB 4.03Å; S285-D288 PolarHBondContact O-N 3Å; A286-D288 VanDerWaalsContact C-N 3.34Å; A286-D288 PolarHBondContact O-N 2.86Å; D288-N290 PolarHBondContact O-N 3.43Å; D288-T291 WeakPolarHBondContact O-CB 3.45Å; D288-T291 PolarHBondContact O-N 3.14Å; D288-T291 PolarHBondContact OD1-OG1 3.46Å; D288-L292 PolarHBondContact O-N 2.93Å; D288-L292 VanDerWaalsContact O-N 3.12Å
289F55.3Low60Low129 Ų12987.6 Ų87.657%0.56648%0.481SS*.Hα-helixtrans-59.7-34.2167.7-172.7-110.4000110.8T291 L292 L293F289-T291 VanDerWaalsContact C-N 3.32Å; F289-T291 PolarHBondContact O-N 3.32Å; F289-L292 PolarHBondContact O-N 3.35Å; F289-L293 HydrophobicContact CD1-CD1 3.57Å; F289-L293 HydrophobicContact CD1-CG 3.93Å; F289-L293 HydrophobicContact CE1-CD1 3.46Å; F289-L293 VanDerWaalsContact CE1-CD1 3.46Å; F289-L293 HydrophobicContact CE1-CD2 4.01Å; F289-L293 HydrophobicContact CE1-CG 3.75Å; F289-L293 HydrophobicContact CZ-CD1 4.31Å; F289-L293 HydrophobicContact CZ-CD2 4.05Å; F289-L293 HydrophobicContact CZ-CG 4.15Å; F289-L293 WeakPolarHBondContact O-CB 3.41Å; F289-L293 VanDerWaalsContact O-CG 3.27Å; F289-L293 WeakPolarHBondContact O-CG 3.19Å; F289-L293 PolarHBondContact O-N 3.47Å
290N56.6Low60.3Low82 Ų8287.6 Ų87.644%0.43948%0.483SS..Hα-helixtrans-64.8-34.2173.7-72.1-38.1000112.5D287 D288 K294D287-N290 WeakPolarHBondContact O-CB 3.4Å; D288-N290 PolarHBondContact O-N 3.43Å; N290-K294 WeakPolarHBondContact O-CB 3.48Å; N290-K294 WeakPolarHBondContact O-CG 3.46Å; N290-K294 PolarHBondContact O-N 2.73Å
291T54Low61.3Low71 Ų7188.8 Ų88.844%0.43648%0.482SS..Hα-helixtrans-67.4-45175.2-57.30000110.8D288 F289 K294 V295D288-T291 WeakPolarHBondContact O-CB 3.45Å; D288-T291 PolarHBondContact O-N 3.14Å; D288-T291 PolarHBondContact OD1-OG1 3.46Å; F289-T291 VanDerWaalsContact C-N 3.32Å; F289-T291 PolarHBondContact O-N 3.32Å; T291-K294 WeakPolarHBondContact O-CB 3.34Å; T291-K294 PolarHBondContact O-N 2.87Å; T291-V295 WeakPolarHBondContact O-CG2 3.39Å; T291-V295 PolarHBondContact O-N 2.8Å
292L55.2Low62Low41 Ų4189.2 Ų89.222%0.21548%0.477CS..Hα-helixtrans-62.3-45.1174.3-177.964.5000111.6I277 I281 D288 F289 K294 V295 L296I277-L292 HydrophobicContact CG1-CD1 4.49Å; I277-L292 HydrophobicContact CG2-CD1 4.17Å; I281-L292 HydrophobicContact CD1-CD2 4.27Å; I281-L292 HydrophobicContact CG1-CD2 4.35Å; D288-L292 PolarHBondContact O-N 2.93Å; D288-L292 VanDerWaalsContact O-N 3.12Å; F289-L292 PolarHBondContact O-N 3.35Å; L292-K294 VanDerWaalsContact C-N 3.29Å; L292-K294 PolarHBondContact O-N 2.85Å; L292-V295 PolarHBondContact O-N 3.1Å; L292-V295 VanDerWaalsContact O-N 3.12Å; L292-L296 HydrophobicContact CD1-CG 4.49Å; L292-L296 HydrophobicContact CG-CD1 4.12Å; L292-L296 HydrophobicContact CG-CG 4.48Å; L292-L296 WeakPolarHBondContact O-CG 3.35Å; L292-L296 PolarHBondContact O-N 3.09Å
293L63.7Low62.9Low75 Ų7586.6 Ų86.639%0.39346%0.463SS..Hα-helixtrans-59.1-39.2174.5-75.5177.8000112F289 L296 S297F289-L293 HydrophobicContact CD1-CD1 3.57Å; F289-L293 HydrophobicContact CD1-CG 3.93Å; F289-L293 HydrophobicContact CE1-CD1 3.46Å; F289-L293 VanDerWaalsContact CE1-CD1 3.46Å; F289-L293 HydrophobicContact CE1-CD2 4.01Å; F289-L293 HydrophobicContact CE1-CG 3.75Å; F289-L293 HydrophobicContact CZ-CD1 4.31Å; F289-L293 HydrophobicContact CZ-CD2 4.05Å; F289-L293 HydrophobicContact CZ-CG 4.15Å; F289-L293 WeakPolarHBondContact O-CB 3.41Å; F289-L293 VanDerWaalsContact O-CG 3.27Å; F289-L293 WeakPolarHBondContact O-CG 3.19Å; F289-L293 PolarHBondContact O-N 3.47Å; L293-L296 PolarHBondContact O-N 3.21Å; L293-S297 VanDerWaalsContact O-CB 3.23Å; L293-S297 WeakPolarHBondContact O-CB 3.31Å; L293-S297 PolarHBondContact O-N 3.42Å; L293-S297 PolarHBondContact O-OG 2.97Å
294K64.9Low64.1Low136 Ų13689.9 Ų89.959%0.59147%0.47SS*.Hα-helixtrans-63.8-40.8173.6-77.4170.5-175176.90111.8N290 T291 L292 S297 R298N290-K294 WeakPolarHBondContact O-CB 3.48Å; N290-K294 WeakPolarHBondContact O-CG 3.46Å; N290-K294 PolarHBondContact O-N 2.73Å; T291-K294 WeakPolarHBondContact O-CB 3.34Å; T291-K294 PolarHBondContact O-N 2.87Å; L292-K294 VanDerWaalsContact C-N 3.29Å; L292-K294 PolarHBondContact O-N 2.85Å; K294-S297 WeakPolarHBondContact CA-OG 3.48Å; K294-S297 PolarHBondContact O-OG 3Å; K294-S297 VanDerWaalsContact O-OG 3.08Å; K294-R298 WeakPolarHBondContact O-CB 3.33Å; K294-R298 WeakPolarHBondContact O-CD 3.18Å; K294-R298 WeakPolarHBondContact O-CG 3.42Å; K294-R298 PolarHBondContact O-N 3.47Å; K294-R298 VanDerWaalsContact O-N 3.07Å
295V62.2Low66.1Low68 Ų6887.1 Ų87.141%0.41245%0.45SS..Hα-helixtrans-65.6-46.6175.9173.70000110.6T291 L292 R298 F299T291-V295 WeakPolarHBondContact O-CG2 3.39Å; T291-V295 PolarHBondContact O-N 2.8Å; L292-V295 PolarHBondContact O-N 3.1Å; L292-V295 VanDerWaalsContact O-N 3.12Å; V295-R298 PolarHBondContact O-N 3.05Å; V295-F299 PolarHBondContact O-N 3.29Å
296L65.7Low67.7Low80 Ų8083.3 Ų83.342%0.41942%0.423SS..Hα-helixtrans-63.5-41.6178.4-69.9174000112.3L292 L293 R298 F299 S300L292-L296 HydrophobicContact CD1-CG 4.49Å; L292-L296 HydrophobicContact CG-CD1 4.12Å; L292-L296 HydrophobicContact CG-CG 4.48Å; L292-L296 WeakPolarHBondContact O-CG 3.35Å; L292-L296 PolarHBondContact O-N 3.09Å; L293-L296 PolarHBondContact O-N 3.21Å; L296-R298 VanDerWaalsContact C-N 3.33Å; L296-R298 PolarHBondContact O-N 3.29Å; L296-F299 PolarHBondContact O-N 3.19Å; L296-S300 PolarHBondContact O-N 3.3Å; L296-S300 PolarHBondContact O-OG 3.07Å
297S69.6Low69.7Low62 Ų6281.8 Ų81.843%0.43442%0.415SS..Hα-helixtrans-67.9-33.3178.270.60000112.3L293 K294 S300 R301L293-S297 VanDerWaalsContact O-CB 3.23Å; L293-S297 WeakPolarHBondContact O-CB 3.31Å; L293-S297 PolarHBondContact O-N 3.42Å; L293-S297 PolarHBondContact O-OG 2.97Å; K294-S297 WeakPolarHBondContact CA-OG 3.48Å; K294-S297 PolarHBondContact O-OG 3Å; K294-S297 VanDerWaalsContact O-OG 3.08Å; S297-S300 WeakPolarHBondContact CA-OG 3.46Å; S297-S300 PolarHBondContact O-OG 3.19Å; S297-R301 WeakPolarHBondContact O-CB 3.47Å; S297-R301 PolarHBondContact O-N 3.5Å
298R68.6Low71.7Confident100 Ų10077.1 Ų77.138%0.37739%0.388SS..Hα-helixtrans-69.1-39.8172.8-70.6176.585.7135.922.8111.8K294 V295 L296 W302 T415K294-R298 WeakPolarHBondContact O-CB 3.33Å; K294-R298 WeakPolarHBondContact O-CD 3.18Å; K294-R298 WeakPolarHBondContact O-CG 3.42Å; K294-R298 PolarHBondContact O-N 3.47Å; K294-R298 VanDerWaalsContact O-N 3.07Å; V295-R298 PolarHBondContact O-N 3.05Å; L296-R298 VanDerWaalsContact C-N 3.33Å; L296-R298 PolarHBondContact O-N 3.29Å; R298-W302 WeakPolarHBondContact O-CB 3.35Å; R298-W302 PolarHBondContact O-N 3.42Å; R298-T415 VanDerWaalsContact CZ-OG1 3.28Å; R298-T415 PolarHBondContact NH1-OG1 3.46Å; R298-T415 VanDerWaalsContact NH1-OG1 3.16Å; R298-T415 PolarHBondContact NH2-OG1 2.97Å
299F69.4Low73.6Confident82 Ų8275.2 Ų75.236%0.3638%0.378SS..Hα-helixtrans-66.1-45.3175.5-176.6-105.1000111.8I11 V15 V295 L296 R301 W302 I303I11-F299 HydrophobicContact CG2-CE1 4.12Å; V15-F299 HydrophobicContact CG2-CE1 4.13Å; V15-F299 HydrophobicContact CG2-CZ 4.2Å; V295-F299 PolarHBondContact O-N 3.29Å; L296-F299 PolarHBondContact O-N 3.19Å; F299-R301 PolarHBondContact O-N 3.08Å; F299-W302 WeakPolarHBondContact O-CB 3.46Å; F299-W302 PolarHBondContact O-N 2.84Å; F299-I303 HydrophobicContact CD1-CD1 3.96Å; F299-I303 HydrophobicContact CE1-CD1 3.52Å; F299-I303 HydrophobicContact CE1-CG1 4.29Å; F299-I303 HydrophobicContact CZ-CD1 4.04Å; F299-I303 HydrophobicContact CZ-CG1 4.44Å; F299-I303 PolarHBondContact O-N 3.4Å
300S72Confident75.5Confident47 Ų4775.1 Ų75.133%0.32938%0.379SS..Hα-helixtrans-61-46.2175.565.30000111.1L296 S297 W302 I303 F304L296-S300 PolarHBondContact O-N 3.3Å; L296-S300 PolarHBondContact O-OG 3.07Å; S297-S300 WeakPolarHBondContact CA-OG 3.46Å; S297-S300 PolarHBondContact O-OG 3.19Å; S300-W302 VanDerWaalsContact C-N 3.28Å; S300-W302 PolarHBondContact O-N 2.84Å; S300-I303 WeakPolarHBondContact O-CB 3.07Å; S300-I303 PolarHBondContact O-N 3.29Å; S300-F304 WeakPolarHBondContact O-CD2 3.16Å; S300-F304 PolarHBondContact O-N 3.42Å; S300-F304 VanDerWaalsContact O-N 3.11Å
301R77.6Confident77.4Confident66 Ų6674.4 Ų74.425%0.24938%0.375CS..Hα-helixtrans-55.7-43.8174.1-175177.466.6155.68.6111.7S297 F299 I303 F304 E305 H344 P413S297-R301 WeakPolarHBondContact O-CB 3.47Å; S297-R301 PolarHBondContact O-N 3.5Å; F299-R301 PolarHBondContact O-N 3.08Å; R301-I303 VanDerWaalsContact C-N 3.31Å; R301-I303 PolarHBondContact O-N 2.96Å; R301-F304 PolarHBondContact O-N 2.85Å; R301-E305 HydrophobicContact CG-CG 4.16Å; R301-E305 WeakPolarHBondContact O-CB 3.42Å; R301-E305 VanDerWaalsContact O-CG 3.32Å; R301-E305 WeakPolarHBondContact O-CG 3.46Å; R301-E305 PolarHBondContact O-N 3.32Å; R301-H344 VanDerWaalsContact CD-CD2 3.45Å; R301-H344 WeakPolarHBondContact CD-CD2 3.28Å; R301-P413 PolarHBondContact NH2-O 3.45Å
302W77.6Confident79.5Confident122 Ų12271 Ų7146%0.46235%0.354SS..Hα-helixtrans-61.3-38.2176.6-177.483.6000112.7R298 F299 S300 E305 S306R298-W302 WeakPolarHBondContact O-CB 3.35Å; R298-W302 PolarHBondContact O-N 3.42Å; F299-W302 WeakPolarHBondContact O-CB 3.46Å; F299-W302 PolarHBondContact O-N 2.84Å; S300-W302 VanDerWaalsContact C-N 3.28Å; S300-W302 PolarHBondContact O-N 2.84Å; W302-E305 PolarHBondContact O-N 2.9Å; W302-S306 WeakPolarHBondContact O-CB 3.35Å; W302-S306 PolarHBondContact O-N 2.87Å; W302-S306 PolarHBondContact O-OG 3.31Å
303I79.3Confident81.5Confident79 Ų7969.7 Ų69.741%0.40535%0.348SS..Hα-helixtrans-59.7-48173.8-68.6170.7000110.6F299 S300 R301 E305 S306F299-I303 HydrophobicContact CD1-CD1 3.96Å; F299-I303 HydrophobicContact CE1-CD1 3.52Å; F299-I303 HydrophobicContact CE1-CG1 4.29Å; F299-I303 HydrophobicContact CZ-CD1 4.04Å; F299-I303 HydrophobicContact CZ-CG1 4.44Å; F299-I303 PolarHBondContact O-N 3.4Å; S300-I303 WeakPolarHBondContact O-CB 3.07Å; S300-I303 PolarHBondContact O-N 3.29Å; R301-I303 VanDerWaalsContact C-N 3.31Å; R301-I303 PolarHBondContact O-N 2.96Å; I303-E305 VanDerWaalsContact C-N 3.33Å; I303-E305 PolarHBondContact O-N 2.9Å; I303-S306 PolarHBondContact O-OG 3.46Å
304F84.3Confident83Confident164 Ų16468.4 Ų68.472%0.71934%0.344SS*.Hα-helixtrans-65.1-36.9179.6-69.4-70000112.5S300 R301S300-F304 WeakPolarHBondContact O-CD2 3.16Å; S300-F304 PolarHBondContact O-N 3.42Å; S300-F304 VanDerWaalsContact O-N 3.11Å; R301-F304 PolarHBondContact O-N 2.85Å
305E91Very high84.6Confident42 Ų4268.1 Ų68.120%0.19634%0.343CS..Hα-helixtrans-87.1-11.7-175.4-67.5-53139.900115R301 W302 I303 Y308 K337 T340R301-E305 HydrophobicContact CG-CG 4.16Å; R301-E305 WeakPolarHBondContact O-CB 3.42Å; R301-E305 VanDerWaalsContact O-CG 3.32Å; R301-E305 WeakPolarHBondContact O-CG 3.46Å; R301-E305 PolarHBondContact O-N 3.32Å; W302-E305 PolarHBondContact O-N 2.9Å; I303-E305 VanDerWaalsContact C-N 3.33Å; I303-E305 PolarHBondContact O-N 2.9Å; E305-Y308 WeakPolarHBondContact O-CD1 3.05Å; E305-Y308 WeakPolarHBondContact O-CE1 3.34Å; E305-K337 IonicContact OE2-NZ 3.68Å; E305-T340 HydrophobicContact CG-CG2 4.5Å; E305-T340 WeakPolarHBondContact OE2-CG2 3.34Å
306S91.6Very high86.3Confident17 Ų1765.5 Ų65.512%0.11933%0.327CS..THydrogen-bonded Turntrans-90.73.1-173.659.40000114.8W302 I303 Y308 L309 H310W302-S306 WeakPolarHBondContact O-CB 3.35Å; W302-S306 PolarHBondContact O-N 2.87Å; W302-S306 PolarHBondContact O-OG 3.31Å; I303-S306 PolarHBondContact O-OG 3.46Å; S306-Y308 VanDerWaalsContact C-N 3.32Å; S306-Y308 PolarHBondContact O-N 3.02Å; S306-L309 WeakPolarHBondContact O-CB 3.31Å; S306-L309 PolarHBondContact O-N 3.14Å; S306-H310 PolarHBondContact O-N 2.82Å
307G94.6Very high87.8Confident48 Ų4867.2 Ų67.250%0.49533%0.333SS..Hα-helixtrans-55.4-43.4-179.400000113.5L309 H310 L311G307-L309 PolarHBondContact O-N 3.41Å; G307-H310 PolarHBondContact O-N 2.95Å; G307-L311 PolarHBondContact O-N 3.27Å; G307-L311 VanDerWaalsContact O-N 3.09Å
308Y96.7Very high89.2Confident34 Ų3469.1 Ų69.113%0.13334%0.342CS..Hα-helixtrans-60.1-45.6175.884.3-81000111.3W156 E305 S306 H310 L311 Q312 K337 W341 Y383W156-Y308 AromaticContact CE3-CD2 3.98Å; W156-Y308 HydrophobicContact CE3-CD2 3.98Å; W156-Y308 AromaticContact CE3-CE2 3.69Å; W156-Y308 HydrophobicContact CE3-CE2 3.69Å; W156-Y308 AromaticContact CH2-CD2 3.65Å; W156-Y308 HydrophobicContact CH2-CD2 3.65Å; W156-Y308 HydrophobicContact CH2-CE2 4.22Å; W156-Y308 HydrophobicContact CH2-CG 4.36Å; W156-Y308 AromaticContact CZ3-CD2 3.21Å; W156-Y308 HydrophobicContact CZ3-CD2 3.21Å; W156-Y308 AromaticContact CZ3-CE2 3.32Å; W156-Y308 HydrophobicContact CZ3-CE2 3.32Å; W156-Y308 HydrophobicContact CZ3-CG 4.1Å; E305-Y308 WeakPolarHBondContact O-CD1 3.05Å; E305-Y308 WeakPolarHBondContact O-CE1 3.34Å; S306-Y308 VanDerWaalsContact C-N 3.32Å; S306-Y308 PolarHBondContact O-N 3.02Å; Y308-H310 PolarHBondContact O-N 3.37Å; Y308-L311 PolarHBondContact O-N 2.9Å; Y308-Q312 WeakPolarHBondContact O-CB 3.17Å; Y308-Q312 WeakPolarHBondContact O-CG 3.29Å; Y308-Q312 PolarHBondContact O-N 3.01Å; Y308-K337 VanDerWaalsContact CD1-CE 3.48Å; Y308-W341 HydrophobicContact CD1-CZ2 4.4Å; Y308-W341 HydrophobicContact CE1-CH2 4.33Å; Y308-W341 AromaticContact CE1-CZ2 3.58Å; Y308-W341 HydrophobicContact CE1-CZ2 3.58Å; Y308-W341 HydrophobicContact CE2-CH2 4.12Å; Y308-W341 HydrophobicContact CE2-CZ2 4.18Å; Y308-W341 AromaticContact CZ-CH2 3.73Å; Y308-W341 AromaticContact CZ-CZ2 3.44Å; Y308-W341 VanDerWaalsContact CZ-CZ2 3.44Å; Y308-W341 WeakPolarHBondContact OH-CH2 3.46Å; Y308-W341 WeakPolarHBondContact OH-CZ2 3.31Å; Y308-Y383 HydrophobicContact CD2-CE1 4.48Å; Y308-Y383 AromaticContact CE2-CE1 3.68Å; Y308-Y383 HydrophobicContact CE2-CE1 3.68Å; Y308-Y383 AromaticContact CE2-CZ 3.74Å; Y308-Y383 WeakPolarHBondContact CE2-OH 3.16Å
309L94.8Very high90.5Very high35 Ų3565.7 Ų65.718%0.18333%0.331CS..Hα-helixtrans-62.9-45.3-178177.6156.5000110S306 G307 Q312 A313 Y383 F387S306-L309 WeakPolarHBondContact O-CB 3.31Å; S306-L309 PolarHBondContact O-N 3.14Å; G307-L309 PolarHBondContact O-N 3.41Å; L309-Q312 PolarHBondContact O-N 3.22Å; L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.42Å; L309-Y383 HydrophobicContact CB-CD1 4.43Å; L309-Y383 HydrophobicContact CB-CE1 4.36Å; L309-Y383 HydrophobicContact CD1-CE1 4.45Å; L309-Y383 HydrophobicContact CG-CD1 4.02Å; L309-Y383 HydrophobicContact CG-CE1 4.17Å; L309-F387 HydrophobicContact CD1-CZ 4.44Å; L309-F387 HydrophobicContact CD2-CE2 3.84Å; L309-F387 HydrophobicContact CD2-CZ 3.85Å; L309-F387 HydrophobicContact CG-CE2 4.19Å; L309-F387 HydrophobicContact CG-CZ 4.43Å
310H96Very high91.9Very high127 Ų12761.8 Ų61.859%0.58831%0.314SS*.Hα-helixtrans-63.5-44.7179.6-173.3-168.6000111.7S306 G307 Y308 A313 T314S306-H310 PolarHBondContact O-N 2.82Å; G307-H310 PolarHBondContact O-N 2.95Å; Y308-H310 PolarHBondContact O-N 3.37Å; H310-A313 PolarHBondContact O-N 3.46Å; H310-T314 WeakPolarHBondContact O-CB 3.37Å; H310-T314 WeakPolarHBondContact O-CG2 3.43Å; H310-T314 PolarHBondContact O-N 3.45Å; H310-T314 PolarHBondContact O-OG1 3.37Å
311L96.8Very high93.1Very high67 Ų6762.5 Ų62.535%0.35132%0.322SS..Hα-helixtrans-63.2-45.8178.5-177.458.2000111.7G307 Y308 T314 K315 I319G307-L311 PolarHBondContact O-N 3.27Å; G307-L311 VanDerWaalsContact O-N 3.09Å; Y308-L311 PolarHBondContact O-N 2.9Å; L311-T314 PolarHBondContact O-N 3.41Å; L311-T314 PolarHBondContact O-OG1 2.73Å; L311-K315 HydrophobicContact CD1-CB 4.44Å; L311-K315 CarbonylContact O-C 3.58Å; L311-K315 PolarHBondContact O-N 3.18Å; L311-I319 HydrophobicContact CD2-CB 3.79Å; L311-I319 HydrophobicContact CD2-CD1 4.07Å; L311-I319 HydrophobicContact CD2-CG1 3.92Å; L311-I319 HydrophobicContact CD2-CG2 4.35Å; L311-I319 HydrophobicContact CG-CB 4.08Å; L311-I319 HydrophobicContact CG-CG2 4.17Å
312Q98Very high94Very high0 Ų062.1 Ų62.10%033%0.333CS..Hα-helixtrans-70.4-35.1-179.7-64.5178.229.400112.6Y308 L309 T314 P316 I319 Y333 V380 Y383Y308-Q312 WeakPolarHBondContact O-CB 3.17Å; Y308-Q312 WeakPolarHBondContact O-CG 3.29Å; Y308-Q312 PolarHBondContact O-N 3.01Å; L309-Q312 PolarHBondContact O-N 3.22Å; Q312-T314 PolarHBondContact O-N 2.94Å; Q312-P316 WeakPolarHBondContact O-CD 3.47Å; Q312-I319 HydrophobicContact CG-CG2 4.34Å; Q312-Y333 PolarHBondContact NE2-OH 3.46Å; Q312-V380 HydrophobicContact CB-CB 4.18Å; Q312-V380 VanDerWaalsContact CD-CG1 3.45Å; Q312-V380 HydrophobicContact CG-CB 3.79Å; Q312-V380 HydrophobicContact CG-CG1 3.83Å; Q312-Y383 HydrophobicContact CB-CD1 4.36Å; Q312-Y383 HydrophobicContact CB-CD2 3.94Å; Q312-Y383 HydrophobicContact CB-CG 3.76Å
313A96.3Very high95Very high12 Ų1256.7 Ų56.710%0.09931%0.313CS..Hα-helixtrans-69.7-14.4175.800000113.5L309 H310 K384 F387L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.42Å; H310-A313 PolarHBondContact O-N 3.46Å; A313-K384 WeakPolarHBondContact O-CD 3.34Å; A313-F387 HydrophobicContact CB-CB 4.49Å; A313-F387 HydrophobicContact CB-CD2 3.46Å; A313-F387 VanDerWaalsContact CB-CD2 3.46Å; A313-F387 HydrophobicContact CB-CE2 3.98Å; A313-F387 HydrophobicContact CB-CG 4.19Å
314T97Very high95.8Very high49 Ų4955.8 Ų55.830%0.30131%0.311SS..Hα-helixtrans-115.3-52.9-175.355.60000112.9H310 L311 Q312 P316 K384H310-T314 WeakPolarHBondContact O-CB 3.37Å; H310-T314 WeakPolarHBondContact O-CG2 3.43Å; H310-T314 PolarHBondContact O-N 3.45Å; H310-T314 PolarHBondContact O-OG1 3.37Å; L311-T314 PolarHBondContact O-N 3.41Å; L311-T314 PolarHBondContact O-OG1 2.73Å; Q312-T314 PolarHBondContact O-N 2.94Å; T314-P316 VanDerWaalsContact C-CD 3.49Å; T314-K384 PolarHBondContact O-NZ 3.26Å
315K97.6Very high96.4Very high130 Ų13052.6 Ų52.657%0.56530%0.302SS*.  trans-131.757.3-171.1-54.3-63176.5-179.40111.7L311 E317 T318 I319L311-K315 HydrophobicContact CD1-CB 4.44Å; L311-K315 CarbonylContact O-C 3.58Å; L311-K315 PolarHBondContact O-N 3.18Å; K315-E317 VanDerWaalsContact C-N 3.3Å; K315-E317 PolarHBondContact O-N 3.1Å; K315-T318 PolarHBondContact O-N 3.09Å; K315-T318 VanDerWaalsContact O-N 3.15Å; K315-I319 PolarHBondContact O-N 3.02Å
316P98Very high96.7Very high13 Ų1352.6 Ų52.68%0.08431%0.306CS..Hα-helixtrans-60.1-36.6-174.124.9-35000113.2Q312 T314 T318 I319 G320 V380 R381 K384Q312-P316 WeakPolarHBondContact O-CD 3.47Å; T314-P316 VanDerWaalsContact C-CD 3.49Å; P316-T318 VanDerWaalsContact C-N 3.33Å; P316-T318 PolarHBondContact O-N 3.45Å; P316-I319 WeakPolarHBondContact O-CG2 3.42Å; P316-G320 WeakPolarHBondContact O-CA 3.47Å; P316-G320 PolarHBondContact O-N 2.99Å; P316-V380 HydrophobicContact CB-CB 4.31Å; P316-V380 HydrophobicContact CB-CG2 3.79Å; P316-V380 WeakPolarHBondContact O-CG2 3.43Å; P316-R381 HydrophobicContact CB-CG 4.16Å; P316-R381 HydrophobicContact CG-CG 4.19Å; P316-K384 HydrophobicContact CG-CB 3.88Å; P316-K384 HydrophobicContact CG-CG 4.33Å
317E97.2Very high97.1Very high115 Ų11552 Ų5254%0.53730%0.302SS..Hα-helixtrans-70.4-29.2-179.4-61.8-170.3158.500112.9K315 A321 R381K315-E317 VanDerWaalsContact C-N 3.3Å; K315-E317 PolarHBondContact O-N 3.1Å; E317-A321 WeakPolarHBondContact O-CB 3.3Å; E317-A321 PolarHBondContact O-N 3.33Å; E317-R381 IonicContact OE1-CZ 2.97Å; E317-R381 IonicContact OE1-NE 3.44Å; E317-R381 PolarHBondContact OE1-NE 3.32Å; E317-R381 IonicContact OE1-NH2 2.87Å; E317-R381 PolarHBondContact OE1-NH2 2.89Å
318T98.1Very high97.3Very high103 Ų10350.2 Ų50.263%0.63228%0.281SS*.Hα-helixtrans-67.2-51.1177.7-55.80000110.9K315 P316K315-T318 PolarHBondContact O-N 3.09Å; K315-T318 VanDerWaalsContact O-N 3.15Å; P316-T318 VanDerWaalsContact C-N 3.33Å; P316-T318 PolarHBondContact O-N 3.45Å
319I97.6Very high97.3Very high28 Ų2849.9 Ų49.914%0.14429%0.288CS..Hα-helixtrans-68.4-39.5175-175.757.9000110.9L311 Q312 K315 P316 A321 A322 L323 Y333 V380L311-I319 HydrophobicContact CD2-CB 3.79Å; L311-I319 HydrophobicContact CD2-CD1 4.07Å; L311-I319 HydrophobicContact CD2-CG1 3.92Å; L311-I319 HydrophobicContact CD2-CG2 4.35Å; L311-I319 HydrophobicContact CG-CB 4.08Å; L311-I319 HydrophobicContact CG-CG2 4.17Å; Q312-I319 HydrophobicContact CG-CG2 4.34Å; K315-I319 PolarHBondContact O-N 3.02Å; P316-I319 WeakPolarHBondContact O-CG2 3.42Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 2.64Å; I319-A322 WeakPolarHBondContact O-CB 3.48Å; I319-A322 PolarHBondContact O-N 3.44Å; I319-L323 HydrophobicContact CD1-CD2 4.49Å; I319-L323 HydrophobicContact CD1-CG 4.38Å; I319-L323 HydrophobicContact CG1-CD1 4.03Å; I319-L323 HydrophobicContact CG1-CG 4.16Å; I319-L323 WeakPolarHBondContact O-CG 3.27Å; I319-L323 PolarHBondContact O-N 2.91Å; I319-L323 VanDerWaalsContact O-N 3.13Å; I319-Y333 HydrophobicContact CD1-CE2 4.15Å; I319-Y333 HydrophobicContact CG1-CE2 4.2Å; I319-V380 HydrophobicContact CG2-CG2 4.35Å
320G97.5Very high97.5Very high0 Ų048.2 Ų48.20%028%0.279CS..Hα-helixtrans-57.4-37.8179.200000113.3P316 A322 L323 V324P316-G320 WeakPolarHBondContact O-CA 3.47Å; P316-G320 PolarHBondContact O-N 2.99Å; G320-A322 VanDerWaalsContact C-N 3.28Å; G320-A322 PolarHBondContact O-N 3.22Å; G320-L323 PolarHBondContact O-N 2.84Å; G320-V324 WeakPolarHBondContact O-CG1 3.37Å; G320-V324 WeakPolarHBondContact O-CG2 3.41Å; G320-V324 PolarHBondContact O-N 2.92Å
321A97.2Very high97.6Very high61 Ų6142.2 Ų42.250%0.50425%0.251SS..Hα-helixtrans-58.8-37.7175.400000112.9E317 I319 V324E317-A321 WeakPolarHBondContact O-CB 3.3Å; E317-A321 PolarHBondContact O-N 3.33Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 2.64Å; A321-V324 WeakPolarHBondContact O-CG2 3.43Å
322A97Very high97.7Very high58 Ų5840 Ų4048%0.47924%0.243SC..Hα-helixtrans-73.3-40.8175.800000111.9I319 G320 V324 D325 S326I319-A322 WeakPolarHBondContact O-CB 3.48Å; I319-A322 PolarHBondContact O-N 3.44Å; G320-A322 VanDerWaalsContact C-N 3.28Å; G320-A322 PolarHBondContact O-N 3.22Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.28Å; A322-D325 PolarHBondContact O-N 2.74Å; A322-S326 PolarHBondContact O-N 3.44Å
323L97.8Very high97.7Very high9 Ų942.2 Ų42.25%0.04725%0.252CS..Hα-helixtrans-68.9-27.2-176.9-61.8179.9000113.4I319 G320 L330 Y333 A376 V380I319-L323 HydrophobicContact CD1-CD2 4.49Å; I319-L323 HydrophobicContact CD1-CG 4.38Å; I319-L323 HydrophobicContact CG1-CD1 4.03Å; I319-L323 HydrophobicContact CG1-CG 4.16Å; I319-L323 WeakPolarHBondContact O-CG 3.27Å; I319-L323 PolarHBondContact O-N 2.91Å; I319-L323 VanDerWaalsContact O-N 3.13Å; G320-L323 PolarHBondContact O-N 2.84Å; L323-L330 HydrophobicContact CB-CD1 4.29Å; L323-Y333 HydrophobicContact CD1-CD1 3.74Å; L323-Y333 HydrophobicContact CD1-CE1 3.89Å; L323-Y333 HydrophobicContact CD1-CG 4.38Å; L323-Y333 HydrophobicContact CD2-CD1 3.86Å; L323-Y333 HydrophobicContact CD2-CD2 4.3Å; L323-Y333 HydrophobicContact CD2-CG 3.67Å; L323-Y333 HydrophobicContact CG-CD1 4.47Å; L323-A376 HydrophobicContact CB-CB 3.92Å; L323-V380 HydrophobicContact CD1-CG1 4.35Å
324V96.2Very high97.8Very high59 Ų5941.8 Ų41.836%0.35825%0.248SC..Hα-helixtrans-83.9-17.1178.2-630000113.9G320 A321 A322 W371 A376 M377G320-V324 WeakPolarHBondContact O-CG1 3.37Å; G320-V324 WeakPolarHBondContact O-CG2 3.41Å; G320-V324 PolarHBondContact O-N 2.92Å; A321-V324 WeakPolarHBondContact O-CG2 3.43Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.28Å; V324-W371 WeakPolarHBondContact O-CZ3 3.29Å; V324-A376 HydrophobicContact CG1-CB 4.35Å; V324-M377 HydrophobicContact CG1-CB 3.58Å
325D97.6Very high97.9Very high97 Ų9739.4 Ų39.452%0.51923%0.233SC..Hα-helixtrans-100.6-33.3-176-173.359.4000113R73 A322R73-D325 IonicContact CZ-OD1 3.74Å; R73-D325 PolarHBondContact NH1-O 3.15Å; R73-D325 IonicContact NH1-OD1 3.31Å; R73-D325 PolarHBondContact NH1-OD1 3.14Å; R73-D325 IonicContact NH2-OD1 3.04Å; A322-D325 PolarHBondContact O-N 2.74Å
326S98.2Very high97.9Very high42 Ų4234.8 Ų34.829%0.29421%0.214SC..  trans-109107.2-176-178.60000111.8A322 I328 G329 L330A322-S326 PolarHBondContact O-N 3.44Å; S326-I328 VanDerWaalsContact C-N 3.34Å; S326-I328 PolarHBondContact O-N 3Å; S326-G329 PolarHBondContact O-N 2.98Å; S326-G329 PolarHBondContact OG-N 3.33Å; S326-G329 VanDerWaalsContact OG-N 3.1Å; S326-L330 WeakPolarHBondContact O-CB 3.31Å; S326-L330 PolarHBondContact O-N 2.73Å
327P98.5Very high97.9Very high4 Ų434.5 Ų34.53%0.02621%0.211CC..Hα-helixtrans-65.9-36.9179.625.3-33.1000112.1L70 R73 L74 W104 G329 L330 A331 W371L70-P327 HydrophobicContact CD1-CB 3.43Å; L70-P327 VanDerWaalsContact CD1-CB 3.43Å; L70-P327 HydrophobicContact CD1-CG 3.92Å; R73-P327 HydrophobicContact CB-CG 3.76Å; L74-P327 HydrophobicContact CD2-CB 4Å; L74-P327 HydrophobicContact CD2-CG 3.87Å; L74-P327 HydrophobicContact CG-CB 4.34Å; L74-P327 HydrophobicContact CG-CG 4.01Å; W104-P327 HydrophobicContact CH2-CB 4.14Å; W104-P327 HydrophobicContact CZ3-CB 4.46Å; P327-G329 VanDerWaalsContact C-N 3.35Å; P327-L330 PolarHBondContact O-N 3.38Å; P327-A331 WeakPolarHBondContact O-CB 3.3Å; P327-A331 PolarHBondContact O-N 3.39Å; P327-W371 HydrophobicContact CB-CD2 4.16Å; P327-W371 HydrophobicContact CB-CE3 3.88Å; P327-W371 HydrophobicContact CB-CH2 4.12Å; P327-W371 HydrophobicContact CB-CZ2 4.36Å; P327-W371 HydrophobicContact CB-CZ3 3.86Å; P327-W371 HydrophobicContact CG-CH2 4.2Å; P327-W371 HydrophobicContact CG-CZ3 4.34Å
328I98.3Very high97.9Very high11 Ų1129.1 Ų29.16%0.05619%0.186CC..Hα-helixtrans-71.2-32.9175.9-159.662.7000111.7I79 L97 R101 S326 A331 A332I79-I328 HydrophobicContact CD1-CG1 4.25Å; I79-I328 HydrophobicContact CG1-CG1 4.29Å; L97-I328 HydrophobicContact CB-CD1 4.2Å; L97-I328 HydrophobicContact CB-CG1 4.24Å; L97-I328 HydrophobicContact CD2-CD1 4.06Å; L97-I328 HydrophobicContact CD2-CG1 4.24Å; R101-I328 HydrophobicContact CB-CD1 4.14Å; S326-I328 VanDerWaalsContact C-N 3.34Å; S326-I328 PolarHBondContact O-N 3Å; I328-A331 PolarHBondContact O-N 2.85Å; I328-A332 WeakPolarHBondContact O-CB 3.34Å; I328-A332 PolarHBondContact O-N 2.89Å
329G98.3Very high97.9Very high27 Ų2724.2 Ų24.228%0.27816%0.156SC..Hα-helixtrans-68-41.7173.700000111.9S326 P327 A332 Y333S326-G329 PolarHBondContact O-N 2.98Å; S326-G329 PolarHBondContact OG-N 3.33Å; S326-G329 VanDerWaalsContact OG-N 3.1Å; P327-G329 VanDerWaalsContact C-N 3.35Å; G329-A332 PolarHBondContact O-N 3.28Å; G329-Y333 WeakPolarHBondContact O-CB 3.34Å; G329-Y333 PolarHBondContact O-N 3.04Å
330L98.6Very high97.9Very high1 Ų123.1 Ų23.11%0.00515%0.151CC..Hα-helixtrans-59.6-48.4171.6176.662.2000111.2L323 S326 P327 A332 Y333 V334 V367 Y370 W371 A376L323-L330 HydrophobicContact CB-CD1 4.29Å; S326-L330 WeakPolarHBondContact O-CB 3.31Å; S326-L330 PolarHBondContact O-N 2.73Å; P327-L330 PolarHBondContact O-N 3.38Å; L330-A332 PolarHBondContact O-N 3.08Å; L330-Y333 PolarHBondContact O-N 3.06Å; L330-V334 HydrophobicContact CD1-CG2 3.85Å; L330-V334 HydrophobicContact CG-CG2 4.44Å; L330-V334 WeakPolarHBondContact O-CB 3.48Å; L330-V334 WeakPolarHBondContact O-CG2 3.17Å; L330-V334 PolarHBondContact O-N 3.1Å; L330-V367 HydrophobicContact CD2-CG1 4.17Å; L330-V367 HydrophobicContact CG-CG1 4.14Å; L330-Y370 HydrophobicContact CD1-CD1 4.46Å; L330-W371 HydrophobicContact CD2-CB 3.97Å; L330-W371 HydrophobicContact CD2-CE3 4.06Å; L330-A376 HydrophobicContact CD1-CB 3.65Å
331A98.6Very high97.8Very high0 Ų023.7 Ų23.70%015%0.153CC..Hα-helixtrans-58.5-47.3177.500000111.6L100 W104 P327 I328 Y333 V334 L335 V367L100-A331 HydrophobicContact CD2-CB 3.77Å; W104-A331 HydrophobicContact CZ3-CB 4.08Å; P327-A331 WeakPolarHBondContact O-CB 3.3Å; P327-A331 PolarHBondContact O-N 3.39Å; I328-A331 PolarHBondContact O-N 2.85Å; A331-Y333 VanDerWaalsContact C-N 3.33Å; A331-Y333 PolarHBondContact O-N 3.42Å; A331-V334 PolarHBondContact O-N 3.01Å; A331-L335 HydrophobicContact CB-CD1 4.38Å; A331-L335 WeakPolarHBondContact O-CB 3.43Å; A331-L335 WeakPolarHBondContact O-CG 3.43Å; A331-L335 PolarHBondContact O-N 3.21Å; A331-V367 HydrophobicContact CB-CG1 4.02Å; A331-V367 HydrophobicContact CB-CG2 4.24Å
332A98.3Very high97.8Very high21 Ų2120.8 Ų20.817%0.17413%0.129CC..Hα-helixtrans-56.8-47.8176.400000111.6V92 L97 I328 G329 L330 V334 E336V92-A332 HydrophobicContact CB-CB 4.31Å; V92-A332 HydrophobicContact CG2-CB 4.3Å; V92-A332 WeakPolarHBondContact CG2-O 3.48Å; L97-A332 HydrophobicContact CD1-CB 4.02Å; L97-A332 HydrophobicContact CD2-CB 3.85Å; I328-A332 WeakPolarHBondContact O-CB 3.34Å; I328-A332 PolarHBondContact O-N 2.89Å; G329-A332 PolarHBondContact O-N 3.28Å; L330-A332 PolarHBondContact O-N 3.08Å; A332-V334 PolarHBondContact O-N 2.95Å; A332-E336 WeakPolarHBondContact O-CB 3.44Å; A332-E336 PolarHBondContact O-N 3.47Å; A332-E336 VanDerWaalsContact O-N 3.15Å
333Y98.3Very high97.7Very high47 Ų4721.8 Ų21.818%0.18412%0.12CC..Hα-helixtrans-68.6-35.5-175.1-162.5-101.3000113.5W156 Q312 I319 L323 G329 L330 A331W156-Y333 HydrophobicContact CH2-CD1 4.11Å; W156-Y333 AromaticContact CH2-CE1 3.7Å; W156-Y333 HydrophobicContact CH2-CE1 3.7Å; W156-Y333 AromaticContact CZ2-CD1 3.9Å; W156-Y333 HydrophobicContact CZ2-CD1 3.9Å; W156-Y333 AromaticContact CZ2-CE1 3.56Å; W156-Y333 HydrophobicContact CZ2-CE1 3.56Å; Q312-Y333 PolarHBondContact NE2-OH 3.46Å; I319-Y333 HydrophobicContact CD1-CE2 4.15Å; I319-Y333 HydrophobicContact CG1-CE2 4.2Å; L323-Y333 HydrophobicContact CD1-CD1 3.74Å; L323-Y333 HydrophobicContact CD1-CE1 3.89Å; L323-Y333 HydrophobicContact CD1-CG 4.38Å; L323-Y333 HydrophobicContact CD2-CD1 3.86Å; L323-Y333 HydrophobicContact CD2-CD2 4.3Å; L323-Y333 HydrophobicContact CD2-CG 3.67Å; L323-Y333 HydrophobicContact CG-CD1 4.47Å; G329-Y333 WeakPolarHBondContact O-CB 3.34Å; G329-Y333 PolarHBondContact O-N 3.04Å; L330-Y333 PolarHBondContact O-N 3.06Å; A331-Y333 VanDerWaalsContact C-N 3.33Å; A331-Y333 PolarHBondContact O-N 3.42Å
334V98.4Very high97.4Very high2 Ų224.8 Ų24.81%0.01213%0.134CC..Hα-helixtrans-78.2-50.5177.7168.70000110.9P157 L330 A331 A332 E336 K337 Y338 Q366 V367P157-V334 HydrophobicContact CB-CB 4.41Å; P157-V334 HydrophobicContact CB-CG1 4.09Å; P157-V334 HydrophobicContact CB-CG2 4.2Å; P157-V334 HydrophobicContact CG-CG1 4.34Å; L330-V334 HydrophobicContact CD1-CG2 3.85Å; L330-V334 HydrophobicContact CG-CG2 4.44Å; L330-V334 WeakPolarHBondContact O-CB 3.48Å; L330-V334 WeakPolarHBondContact O-CG2 3.17Å; L330-V334 PolarHBondContact O-N 3.1Å; A331-V334 PolarHBondContact O-N 3.01Å; A332-V334 PolarHBondContact O-N 2.95Å; V334-E336 VanDerWaalsContact C-N 3.35Å; V334-E336 PolarHBondContact O-N 3.24Å; V334-K337 PolarHBondContact O-N 3.39Å; V334-Y338 HydrophobicContact CG1-CD2 4.2Å; V334-Y338 HydrophobicContact CG1-CE2 4.02Å; V334-Q366 HydrophobicContact CG1-CG 4.5Å; V334-V367 HydrophobicContact CB-CG2 4.26Å; V334-V367 HydrophobicContact CG1-CG2 4.07Å
335L98.4Very high97.3Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-75.7-21-170-60.9-177.8000113.5F96 L100 A331 K337 Y338 S339 L354 L363 V367F96-L335 HydrophobicContact CE1-CD1 4.29Å; F96-L335 HydrophobicContact CZ-CD1 4.46Å; L100-L335 HydrophobicContact CD1-CD1 4.19Å; L100-L335 HydrophobicContact CD2-CD1 3.55Å; A331-L335 HydrophobicContact CB-CD1 4.38Å; A331-L335 WeakPolarHBondContact O-CB 3.43Å; A331-L335 WeakPolarHBondContact O-CG 3.43Å; A331-L335 PolarHBondContact O-N 3.21Å; L335-K337 PolarHBondContact O-N 2.96Å; L335-Y338 HydrophobicContact CD2-CD2 4.26Å; L335-Y338 HydrophobicContact CD2-CG 4.49Å; L335-Y338 PolarHBondContact O-N 2.82Å; L335-Y338 VanDerWaalsContact O-N 3.13Å; L335-S339 PolarHBondContact O-N 2.91Å; L335-S339 VanDerWaalsContact O-N 3.1Å; L335-L354 HydrophobicContact CB-CD1 4.3Å; L335-L354 WeakPolarHBondContact O-CD2 3.24Å; L335-L363 HydrophobicContact CD1-CB 4.34Å; L335-L363 HydrophobicContact CD2-CB 3.76Å; L335-L363 HydrophobicContact CD2-CD2 3.95Å; L335-L363 HydrophobicContact CD2-CG 4.33Å; L335-V367 HydrophobicContact CD1-CG2 4.21Å; L335-V367 HydrophobicContact CD2-CG2 3.87Å; L335-V367 HydrophobicContact CG-CG2 3.87Å
336E97.9Very high97.2Very high33 Ų3321.2 Ų21.215%0.15411%0.111CC..Hα-helixtrans-53.7-41168.5-168.2-97.9113.500111.3V92 A332 V334 S339 T340V92-E336 HydrophobicContact CG2-CB 3.55Å; V92-E336 HydrophobicContact CG2-CG 4.13Å; A332-E336 WeakPolarHBondContact O-CB 3.44Å; A332-E336 PolarHBondContact O-N 3.47Å; A332-E336 VanDerWaalsContact O-N 3.15Å; V334-E336 VanDerWaalsContact C-N 3.35Å; V334-E336 PolarHBondContact O-N 3.24Å; E336-S339 WeakPolarHBondContact O-CB 3.33Å; E336-S339 PolarHBondContact O-N 3.12Å; E336-S339 VanDerWaalsContact O-N 3.16Å; E336-T340 PolarHBondContact O-N 3.17Å; E336-T340 PolarHBondContact O-OG1 3.05Å; E336-T340 WeakPolarHBondContact OE1-CB 3.35Å; E336-T340 PolarHBondContact OE1-OG1 3.12Å
337K97.8Very high97Very high7 Ų719.8 Ų19.83%0.0310%0.101CC..Hα-helixtrans-70.6-35.5179.6-55.9-44.3-174.3-169.60112.3W156 P157 E305 Y308 V334 L335 S339 T340 W341W156-K337 HydrophobicContact CH2-CG 4.45Å; W156-K337 HydrophobicContact CZ3-CG 4.16Å; P157-K337 HydrophobicContact CG-CB 3.76Å; P157-K337 HydrophobicContact CG-CG 4.03Å; E305-K337 IonicContact OE2-NZ 3.68Å; Y308-K337 VanDerWaalsContact CD1-CE 3.48Å; V334-K337 PolarHBondContact O-N 3.39Å; L335-K337 PolarHBondContact O-N 2.96Å; K337-S339 PolarHBondContact O-N 3.19Å; K337-T340 PolarHBondContact O-N 3.48Å; K337-W341 HydrophobicContact CB-CD2 3.84Å; K337-W341 HydrophobicContact CB-CE3 3.88Å; K337-W341 HydrophobicContact CB-CG 4.37Å; K337-W341 HydrophobicContact CB-CH2 4.3Å; K337-W341 HydrophobicContact CB-CZ2 4.23Å; K337-W341 HydrophobicContact CB-CZ3 4.14Å; K337-W341 HydrophobicContact CD-CD2 4.32Å; K337-W341 HydrophobicContact CD-CH2 4.4Å; K337-W341 HydrophobicContact CD-CZ2 3.68Å; K337-W341 HydrophobicContact CG-CD2 4.39Å; K337-W341 HydrophobicContact CG-CH2 4.1Å; K337-W341 HydrophobicContact CG-CZ2 3.88Å; K337-W341 HydrophobicContact CG-CZ3 4.44Å; K337-W341 WeakPolarHBondContact O-CA 3.39Å; K337-W341 WeakPolarHBondContact O-CB 3.48Å; K337-W341 PolarHBondContact O-N 3.47Å
338Y98.1Very high96.8Very high1 Ų122.9 Ų22.90%0.00412%0.12CC..Hα-helixtrans-63.5-26172.2-80.5-95.5000112.9P157 V334 L335 T342 L354 F358 L363 Q366 F440 L443P157-Y338 HydrophobicContact CG-CE2 4.3Å; V334-Y338 HydrophobicContact CG1-CD2 4.2Å; V334-Y338 HydrophobicContact CG1-CE2 4.02Å; L335-Y338 HydrophobicContact CD2-CD2 4.26Å; L335-Y338 HydrophobicContact CD2-CG 4.49Å; L335-Y338 PolarHBondContact O-N 2.82Å; L335-Y338 VanDerWaalsContact O-N 3.13Å; Y338-T342 VanDerWaalsContact O-CB 3.23Å; Y338-T342 WeakPolarHBondContact O-CB 3.38Å; Y338-T342 PolarHBondContact O-OG1 3.47Å; Y338-L354 VanDerWaalsContact C-CD2 3.5Å; Y338-F358 HydrophobicContact CD1-CD2 4.24Å; Y338-F358 HydrophobicContact CD1-CE1 4.41Å; Y338-F358 AromaticContact CD1-CE2 3.83Å; Y338-F358 HydrophobicContact CD1-CE2 3.83Å; Y338-F358 AromaticContact CD1-CZ 3.91Å; Y338-F358 HydrophobicContact CD1-CZ 3.91Å; Y338-F358 HydrophobicContact CE1-CZ 4.47Å; Y338-L363 HydrophobicContact CD1-CD2 3.87Å; Y338-L363 HydrophobicContact CG-CD2 4.03Å; Y338-Q366 HydrophobicContact CE2-CG 3.94Å; Y338-Q366 WeakPolarHBondContact OH-CG 3.31Å; Y338-F440 HydrophobicContact CD1-CD2 4.05Å; Y338-F440 HydrophobicContact CD1-CE1 4.48Å; Y338-F440 AromaticContact CD1-CE2 3.96Å; Y338-F440 HydrophobicContact CD1-CE2 3.96Å; Y338-F440 HydrophobicContact CD1-CG 4.36Å; Y338-F440 HydrophobicContact CD1-CZ 4.16Å; Y338-F440 HydrophobicContact CD2-CE1 4.47Å; Y338-F440 HydrophobicContact CD2-CE2 4.38Å; Y338-F440 AromaticContact CD2-CZ 3.98Å; Y338-F440 HydrophobicContact CD2-CZ 3.98Å; Y338-F440 AromaticContact CE1-CD1 3.91Å; Y338-F440 HydrophobicContact CE1-CD1 3.91Å; Y338-F440 HydrophobicContact CE1-CD2 4.14Å; Y338-F440 AromaticContact CE1-CE1 3.94Å; Y338-F440 HydrophobicContact CE1-CE1 3.94Å; Y338-F440 HydrophobicContact CE1-CE2 4.2Å; Y338-F440 AromaticContact CE1-CG 3.99Å; Y338-F440 HydrophobicContact CE1-CG 3.99Å; Y338-F440 HydrophobicContact CE1-CZ 4.09Å; Y338-F440 AromaticContact CE2-CE1 3.94Å; Y338-F440 HydrophobicContact CE2-CE1 3.94Å; Y338-F440 AromaticContact CE2-CZ 3.91Å; Y338-F440 HydrophobicContact CE2-CZ 3.91Å; Y338-F440 HydrophobicContact CG-CE2 4.04Å; Y338-F440 HydrophobicContact CG-CZ 4.1Å; Y338-F440 AromaticContact CZ-CD1 3.94Å; Y338-F440 AromaticContact CZ-CE1 3.63Å; Y338-F440 AromaticContact CZ-CZ 3.94Å; Y338-L443 HydrophobicContact CE1-CD2 4.07Å
339S97.8Very high96.6Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-74.3-69.2168.8161.90000109.7L335 E336 K337 W341 T342 R343 G352L335-S339 PolarHBondContact O-N 2.91Å; L335-S339 VanDerWaalsContact O-N 3.1Å; E336-S339 WeakPolarHBondContact O-CB 3.33Å; E336-S339 PolarHBondContact O-N 3.12Å; E336-S339 VanDerWaalsContact O-N 3.16Å; K337-S339 PolarHBondContact O-N 3.19Å; S339-W341 PolarHBondContact O-N 3.21Å; S339-T342 PolarHBondContact O-N 3.26Å; S339-R343 PolarHBondContact O-N 3.42Å; S339-R343 VanDerWaalsContact O-N 3.15Å; S339-G352 WeakPolarHBondContact CB-O 3.46Å; S339-G352 PolarHBondContact OG-O 2.98Å
340T96.2Very high96.1Very high6 Ų628.6 Ų28.64%0.03715%0.146CC..Hα-helixtrans-68.8-31.7-163.9-480000113.2E305 E336 K337 R343 H344 T347E305-T340 HydrophobicContact CG-CG2 4.5Å; E305-T340 WeakPolarHBondContact OE2-CG2 3.34Å; E336-T340 PolarHBondContact O-N 3.17Å; E336-T340 PolarHBondContact O-OG1 3.05Å; E336-T340 WeakPolarHBondContact OE1-CB 3.35Å; E336-T340 PolarHBondContact OE1-OG1 3.12Å; K337-T340 PolarHBondContact O-N 3.48Å; T340-R343 CarbonylContact O-C 3.56Å; T340-H344 PolarHBondContact O-N 2.82Å; T340-T347 HydrophobicContact CG2-CG2 4.01Å
341W96.4Very high95.8Very high11 Ų1131.8 Ų31.84%0.04216%0.162CC..THydrogen-bonded Turntrans-88.3-16.4-179.6-59.3-7.3000114.1W156 Y308 K337 S339 P413 H439 F440W156-W341 HydrophobicContact CE3-CH2 4.06Å; W156-W341 HydrophobicContact CZ3-CH2 4.01Å; W156-W341 WeakPolarHBondContact O-CZ3 3.37Å; Y308-W341 HydrophobicContact CD1-CZ2 4.4Å; Y308-W341 HydrophobicContact CE1-CH2 4.33Å; Y308-W341 AromaticContact CE1-CZ2 3.58Å; Y308-W341 HydrophobicContact CE1-CZ2 3.58Å; Y308-W341 HydrophobicContact CE2-CH2 4.12Å; Y308-W341 HydrophobicContact CE2-CZ2 4.18Å; Y308-W341 AromaticContact CZ-CH2 3.73Å; Y308-W341 AromaticContact CZ-CZ2 3.44Å; Y308-W341 VanDerWaalsContact CZ-CZ2 3.44Å; Y308-W341 WeakPolarHBondContact OH-CH2 3.46Å; Y308-W341 WeakPolarHBondContact OH-CZ2 3.31Å; K337-W341 HydrophobicContact CB-CD2 3.84Å; K337-W341 HydrophobicContact CB-CE3 3.88Å; K337-W341 HydrophobicContact CB-CG 4.37Å; K337-W341 HydrophobicContact CB-CH2 4.3Å; K337-W341 HydrophobicContact CB-CZ2 4.23Å; K337-W341 HydrophobicContact CB-CZ3 4.14Å; K337-W341 HydrophobicContact CD-CD2 4.32Å; K337-W341 HydrophobicContact CD-CH2 4.4Å; K337-W341 HydrophobicContact CD-CZ2 3.68Å; K337-W341 HydrophobicContact CG-CD2 4.39Å; K337-W341 HydrophobicContact CG-CH2 4.1Å; K337-W341 HydrophobicContact CG-CZ2 3.88Å; K337-W341 HydrophobicContact CG-CZ3 4.44Å; K337-W341 WeakPolarHBondContact O-CA 3.39Å; K337-W341 WeakPolarHBondContact O-CB 3.48Å; K337-W341 PolarHBondContact O-N 3.47Å; S339-W341 PolarHBondContact O-N 3.21Å; W341-P413 HydrophobicContact CB-CG 3.74Å; W341-P413 HydrophobicContact CD2-CG 4.38Å; W341-P413 HydrophobicContact CG-CG 3.62Å; W341-H439 HydrophobicContact CB-CB 3.63Å; W341-H439 AromaticContact CE3-CD2 3.39Å; W341-H439 AromaticContact CE3-CG 3.93Å; W341-H439 AromaticContact CE3-NE2 3.61Å; W341-H439 AromaticContact CZ3-CD2 3.92Å; W341-H439 AromaticContact CZ3-NE2 3.68Å; W341-H439 WeakPolarHBondContact O-CB 3.23Å; W341-H439 PolarHBondContact O-N 3.45Å; W341-F440 HydrophobicContact CB-CE2 4.04Å; W341-F440 HydrophobicContact CE3-CE2 4.35Å; W341-F440 AromaticContact CE3-CZ 3.83Å; W341-F440 HydrophobicContact CE3-CZ 3.83Å; W341-F440 HydrophobicContact CZ3-CZ 4.5Å
342T97Very high95.6Very high1 Ų131.8 Ų31.81%0.00616%0.162CC..THydrogen-bonded Turntrans-72.2-57.1166.8-62.60000108.3Y338 S339 Y346 N357 F358 H411 E444Y338-T342 VanDerWaalsContact O-CB 3.23Å; Y338-T342 WeakPolarHBondContact O-CB 3.38Å; Y338-T342 PolarHBondContact O-OG1 3.47Å; S339-T342 PolarHBondContact O-N 3.26Å; T342-Y346 HydrophobicContact CG2-CD2 4.37Å; T342-Y346 HydrophobicContact CG2-CE2 3.76Å; T342-N357 HydrophobicContact CG2-CB 4.02Å; T342-N357 WeakPolarHBondContact CG2-OD1 3.26Å; T342-F358 HydrophobicContact CG2-CE2 4.33Å; T342-F358 VanDerWaalsContact OG1-CE2 3.28Å; T342-F358 WeakPolarHBondContact OG1-CE2 3.47Å; T342-H411 WeakPolarHBondContact O-CB 3.33Å; T342-E444 WeakPolarHBondContact CG2-OE2 3.26Å
343R95.2Very high95.5Very high78 Ų7831 Ų3129%0.29416%0.156SC..  trans-150.3132.1167.8-54.2178.949.1119.5-6.8111.4S339 T340 D345 Y346 H411S339-R343 PolarHBondContact O-N 3.42Å; S339-R343 VanDerWaalsContact O-N 3.15Å; T340-R343 CarbonylContact O-C 3.56Å; R343-D345 VanDerWaalsContact C-N 3.26Å; R343-D345 WeakPolarHBondContact CB-OD1 3.23Å; R343-D345 IonicContact CZ-OD1 3.71Å; R343-D345 IonicContact CZ-OD2 3.54Å; R343-D345 IonicContact NE-OD1 3.25Å; R343-D345 PolarHBondContact NE-OD1 3.1Å; R343-D345 IonicContact NE-OD2 2.73Å; R343-D345 PolarHBondContact NE-OD2 2.77Å; R343-D345 IonicContact NH2-OD1 3.61Å; R343-D345 IonicContact NH2-OD2 2.77Å; R343-D345 PolarHBondContact NH2-OD2 3Å; R343-D345 PolarHBondContact O-N 3.46Å; R343-Y346 HydrophobicContact CB-CD1 4.04Å; R343-Y346 HydrophobicContact CB-CD2 4.12Å; R343-Y346 HydrophobicContact CB-CE1 4.09Å; R343-Y346 HydrophobicContact CB-CE2 4.17Å; R343-Y346 HydrophobicContact CB-CG 4.07Å; R343-Y346 WeakPolarHBondContact CD-OH 3.38Å; R343-Y346 HydrophobicContact CG-CE1 4.26Å; R343-Y346 HydrophobicContact CG-CE2 4.18Å; R343-Y346 WeakPolarHBondContact O-CB 3.44Å; R343-Y346 PolarHBondContact O-N 3.34Å; R343-H411 HydrophobicContact CG-CB 4.23Å; R343-H411 VanDerWaalsContact CZ-CE1 3.48Å; R343-H411 PolarHBondContact NH1-CE1 3.37Å; R343-H411 VanDerWaalsContact NH1-CE1 3.3Å; R343-H411 PolarHBondContact NH1-NE2 3.28Å
344H91.9Very high95.4Very high73 Ų7328.9 Ų28.934%0.33815%0.147SC..G310 helixtrans-64.9-28.8-179.9-178.4-74.3000113R301 T340 Y346 T347R301-H344 VanDerWaalsContact CD-CD2 3.45Å; R301-H344 WeakPolarHBondContact CD-CD2 3.28Å; T340-H344 PolarHBondContact O-N 2.82Å; H344-Y346 PolarHBondContact O-N 2.77Å; H344-T347 WeakPolarHBondContact O-CG2 3.26Å; H344-T347 PolarHBondContact O-N 3.42Å; H344-T347 PolarHBondContact O-OG1 2.6Å
345D93.4Very high95.3Very high62 Ų6232.6 Ų32.633%0.33217%0.17SC..G310 helixtrans-65.9-14.4176.257.5-20.3000112.6R343 T347 T348 F349R343-D345 VanDerWaalsContact C-N 3.26Å; R343-D345 WeakPolarHBondContact CB-OD1 3.23Å; R343-D345 IonicContact CZ-OD1 3.71Å; R343-D345 IonicContact CZ-OD2 3.54Å; R343-D345 IonicContact NE-OD1 3.25Å; R343-D345 PolarHBondContact NE-OD1 3.1Å; R343-D345 IonicContact NE-OD2 2.73Å; R343-D345 PolarHBondContact NE-OD2 2.77Å; R343-D345 IonicContact NH2-OD1 3.61Å; R343-D345 IonicContact NH2-OD2 2.77Å; R343-D345 PolarHBondContact NH2-OD2 3Å; R343-D345 PolarHBondContact O-N 3.46Å; D345-T347 PolarHBondContact O-N 2.92Å; D345-T348 PolarHBondContact O-N 2.91Å; D345-T348 VanDerWaalsContact O-N 3.12Å; D345-T348 PolarHBondContact O-OG1 2.96Å; D345-F349 VanDerWaalsContact O-CD2 3.24Å; D345-F349 WeakPolarHBondContact O-CD2 3.35Å; D345-F349 WeakPolarHBondContact O-CE2 3.45Å
346Y95.7Very high95.2Very high19 Ų1937.6 Ų37.68%0.07520%0.197CC..G310 helixtrans-66.2-16.4173.9-67.8-6.2000113.9T342 R343 H344 T348 F349 G352 G353 L356 N357T342-Y346 HydrophobicContact CG2-CD2 4.37Å; T342-Y346 HydrophobicContact CG2-CE2 3.76Å; R343-Y346 HydrophobicContact CB-CD1 4.04Å; R343-Y346 HydrophobicContact CB-CD2 4.12Å; R343-Y346 HydrophobicContact CB-CE1 4.09Å; R343-Y346 HydrophobicContact CB-CE2 4.17Å; R343-Y346 HydrophobicContact CB-CG 4.07Å; R343-Y346 WeakPolarHBondContact CD-OH 3.38Å; R343-Y346 HydrophobicContact CG-CE1 4.26Å; R343-Y346 HydrophobicContact CG-CE2 4.18Å; R343-Y346 WeakPolarHBondContact O-CB 3.44Å; R343-Y346 PolarHBondContact O-N 3.34Å; H344-Y346 PolarHBondContact O-N 2.77Å; Y346-T348 PolarHBondContact O-N 3.04Å; Y346-F349 HydrophobicContact CD1-CD2 4.32Å; Y346-F349 HydrophobicContact CD1-CE2 4.19Å; Y346-F349 HydrophobicContact CD1-CZ 4.38Å; Y346-F349 WeakPolarHBondContact O-CB 3.2Å; Y346-F349 PolarHBondContact O-N 3.02Å; Y346-G352 WeakPolarHBondContact CB-O 3.38Å; Y346-G352 WeakPolarHBondContact O-CA 3.41Å; Y346-G353 WeakPolarHBondContact CE2-O 3.27Å; Y346-L356 HydrophobicContact CD1-CD1 4.35Å; Y346-L356 HydrophobicContact CE1-CD1 3.59Å; Y346-L356 HydrophobicContact CE2-CB 4.5Å; Y346-L356 HydrophobicContact CE2-CD1 4.42Å; Y346-N357 WeakPolarHBondContact CE2-OD1 3.46Å; Y346-N357 PolarHBondContact OH-OD1 2.7Å
347T93.5Very high95.1Very high12 Ų1238.1 Ų38.17%0.07420%0.2CC..G310 helixtrans-62.3-23.8172.264.30000112.4F88 E89 T340 H344 D345 F349F88-T347 CarbonylContact C-O 3.58Å; F88-T347 WeakPolarHBondContact CA-O 3.47Å; F88-T347 WeakPolarHBondContact CB-O 3.38Å; F88-T347 PolarHBondContact N-O 3.39Å; E89-T347 PolarHBondContact N-O 3.06Å; T340-T347 HydrophobicContact CG2-CG2 4.01Å; H344-T347 WeakPolarHBondContact O-CG2 3.26Å; H344-T347 PolarHBondContact O-N 3.42Å; H344-T347 PolarHBondContact O-OG1 2.6Å; D345-T347 PolarHBondContact O-N 2.92Å; T347-F349 VanDerWaalsContact C-N 3.29Å
348T94.5Very high95.1Very high68 Ų6838.2 Ų38.242%0.41720%0.201SC..G310 helixtrans-91.815.9177.276.90000112.8M87 D345 Y346M87-T348 WeakPolarHBondContact CE-O 3.36Å; D345-T348 PolarHBondContact O-N 2.91Å; D345-T348 VanDerWaalsContact O-N 3.12Å; D345-T348 PolarHBondContact O-OG1 2.96Å; Y346-T348 PolarHBondContact O-N 3.04Å
349F94.5Very high95.1Very high85 Ų8540.5 Ų40.537%0.37322%0.217SC..SBendtrans-111137.2177.6-72.5-126.6000108.7D345 Y346 T347 M351 G352 L356D345-F349 VanDerWaalsContact O-CD2 3.24Å; D345-F349 WeakPolarHBondContact O-CD2 3.35Å; D345-F349 WeakPolarHBondContact O-CE2 3.45Å; Y346-F349 HydrophobicContact CD1-CD2 4.32Å; Y346-F349 HydrophobicContact CD1-CE2 4.19Å; Y346-F349 HydrophobicContact CD1-CZ 4.38Å; Y346-F349 WeakPolarHBondContact O-CB 3.2Å; Y346-F349 PolarHBondContact O-N 3.02Å; T347-F349 VanDerWaalsContact C-N 3.29Å; F349-M351 PolarHBondContact O-N 2.96Å; F349-M351 VanDerWaalsContact O-N 3.12Å; F349-G352 PolarHBondContact O-N 2.81Å; F349-L356 HydrophobicContact CD1-CD1 4.24Å; F349-L356 HydrophobicContact CE1-CD1 3.9Å
350S87.4Confident95.1Very high73 Ų7341.4 Ų41.451%0.5122%0.222SC..THydrogen-bonded Turntrans-59.6-29.7-175.154.20000113.5M87M87-S350 PolarHBondContact SD-N 3.22Å
351M92.5Very high95.2Very high69 Ų6943.4 Ų43.434%0.3423%0.232SC..THydrogen-bonded Turntrans-109.718.6177.2-59.6-62.7149.500112.8F88 D95 F96 F349 G353F88-M351 VanDerWaalsContact CE2-C 3.48Å; D95-M351 HydrophobicContact CB-CE 4.24Å; F96-M351 HydrophobicContact CB-SD 3.83Å; F96-M351 HydrophobicContact CD2-CB 4.18Å; F96-M351 HydrophobicContact CD2-SD 3.97Å; F96-M351 HydrophobicContact CG-SD 4.42Å; F349-M351 PolarHBondContact O-N 2.96Å; F349-M351 VanDerWaalsContact O-N 3.12Å; M351-G353 PolarHBondContact O-N 3.2Å
352G95.2Very high95.3Very high0 Ų044.8 Ų44.80%024%0.239CC..THydrogen-bonded Turntrans6520.6175.700000114.7F88 S339 Y346 F349 L354F88-G352 VanDerWaalsContact CE2-N 3.26Å; S339-G352 WeakPolarHBondContact CB-O 3.46Å; S339-G352 PolarHBondContact OG-O 2.98Å; Y346-G352 WeakPolarHBondContact CB-O 3.38Å; Y346-G352 WeakPolarHBondContact O-CA 3.41Å; F349-G352 PolarHBondContact O-N 2.81Å; G352-L354 PolarHBondContact O-N 3.39Å
353G96.1Very high95.4Very high5 Ų544.8 Ų44.85%0.05224%0.239CC..THydrogen-bonded Turntrans57.28.6-179.300000115.6Y346 M351 T355 L356Y346-G353 WeakPolarHBondContact CE2-O 3.27Å; M351-G353 PolarHBondContact O-N 3.2Å; G353-T355 VanDerWaalsContact C-N 3.29Å; G353-T355 PolarHBondContact O-N 3.43Å; G353-L356 VanDerWaalsContact O-CB 3.27Å; G353-L356 WeakPolarHBondContact O-CB 3.39Å; G353-L356 WeakPolarHBondContact O-CG 3.4Å; G353-L356 PolarHBondContact O-N 3.16Å
354L96.3Very high95.6Very high1 Ų141.1 Ų41.11%0.00523%0.225CC..Hα-helixtrans-59.7-39.9-168.9-81.3167.2000112.7F88 F96 L335 Y338 G352 L356 F358 L363F88-L354 HydrophobicContact CE1-CD1 4.21Å; F88-L354 HydrophobicContact CZ-CD1 4.24Å; F96-L354 HydrophobicContact CD1-CD1 4.32Å; F96-L354 HydrophobicContact CD2-CD1 4.47Å; F96-L354 HydrophobicContact CE1-CD1 3.58Å; F96-L354 HydrophobicContact CE2-CD1 3.77Å; F96-L354 HydrophobicContact CZ-CD1 3.27Å; L335-L354 HydrophobicContact CB-CD1 4.3Å; L335-L354 WeakPolarHBondContact O-CD2 3.24Å; Y338-L354 VanDerWaalsContact C-CD2 3.5Å; G352-L354 PolarHBondContact O-N 3.39Å; L354-L356 PolarHBondContact O-N 3.05Å; L354-F358 WeakPolarHBondContact O-CD2 3.46Å; L354-F358 PolarHBondContact O-N 3.04Å; L354-L363 HydrophobicContact CB-CD1 3.77Å; L354-L363 HydrophobicContact CD2-CD1 4.1Å; L354-L363 HydrophobicContact CD2-CD2 4.3Å; L354-L363 HydrophobicContact CG-CD1 4.38Å
355T95.9Very high95.9Very high80 Ų8038 Ų3849%0.49121%0.211SC..Hα-helixtrans-82.85.2-177.861.30000114G353 F358 L360G353-T355 VanDerWaalsContact C-N 3.29Å; G353-T355 PolarHBondContact O-N 3.43Å; T355-F358 VanDerWaalsContact CA-O 3.28Å; T355-F358 WeakPolarHBondContact CA-O 3.09Å; T355-L360 HydrophobicContact CG2-CD2 4.01Å; T355-L360 HydrophobicContact CG2-CG 3.99Å
356L96.2Very high96.1Very high106 Ų10635.1 Ų35.156%0.55520%0.196SC*.Hα-helixtrans-81.6-29.9174.6-62.4174.9000112Y346 F349 G353 L354Y346-L356 HydrophobicContact CD1-CD1 4.35Å; Y346-L356 HydrophobicContact CE1-CD1 3.59Å; Y346-L356 HydrophobicContact CE2-CB 4.5Å; Y346-L356 HydrophobicContact CE2-CD1 4.42Å; F349-L356 HydrophobicContact CD1-CD1 4.24Å; F349-L356 HydrophobicContact CE1-CD1 3.9Å; G353-L356 VanDerWaalsContact O-CB 3.27Å; G353-L356 WeakPolarHBondContact O-CB 3.39Å; G353-L356 WeakPolarHBondContact O-CG 3.4Å; G353-L356 PolarHBondContact O-N 3.16Å; L354-L356 PolarHBondContact O-N 3.05Å
357N95.5Very high96.3Very high44 Ų4434.2 Ų34.224%0.23519%0.193CC..Hα-helixtrans-116.3-21.1-178.9-67.686000113.6T342 Y346T342-N357 HydrophobicContact CG2-CB 4.02Å; T342-N357 WeakPolarHBondContact CG2-OD1 3.26Å; Y346-N357 WeakPolarHBondContact CE2-OD1 3.46Å; Y346-N357 PolarHBondContact OH-OD1 2.7Å
358F97.4Very high96.5Very high8 Ų833.7 Ų33.74%0.03519%0.189CC..SBendtrans-130.7149.1-175.5-47-70.9000111.1Y338 T342 L354 T355 E362 L363 F440 L443 E444Y338-F358 HydrophobicContact CD1-CD2 4.24Å; Y338-F358 HydrophobicContact CD1-CE1 4.41Å; Y338-F358 AromaticContact CD1-CE2 3.83Å; Y338-F358 HydrophobicContact CD1-CE2 3.83Å; Y338-F358 AromaticContact CD1-CZ 3.91Å; Y338-F358 HydrophobicContact CD1-CZ 3.91Å; Y338-F358 HydrophobicContact CE1-CZ 4.47Å; T342-F358 HydrophobicContact CG2-CE2 4.33Å; T342-F358 VanDerWaalsContact OG1-CE2 3.28Å; T342-F358 WeakPolarHBondContact OG1-CE2 3.47Å; L354-F358 WeakPolarHBondContact O-CD2 3.46Å; L354-F358 PolarHBondContact O-N 3.04Å; T355-F358 VanDerWaalsContact CA-O 3.28Å; T355-F358 WeakPolarHBondContact CA-O 3.09Å; F358-E362 WeakPolarHBondContact CA-OE2 3.24Å; F358-L363 HydrophobicContact CB-CD1 4.24Å; F358-L363 HydrophobicContact CB-CD2 3.64Å; F358-L363 HydrophobicContact CB-CG 3.77Å; F358-L363 HydrophobicContact CD2-CD2 3.73Å; F358-L363 HydrophobicContact CG-CD2 3.79Å; F358-L363 HydrophobicContact CG-CG 4.46Å; F358-F440 HydrophobicContact CZ-CB 4.47Å; F358-F440 HydrophobicContact CZ-CD2 4.36Å; F358-L443 HydrophobicContact CD1-CD2 3.86Å; F358-L443 HydrophobicContact CD1-CG 4.03Å; F358-L443 HydrophobicContact CE1-CB 4.3Å; F358-L443 HydrophobicContact CE1-CD2 3.74Å; F358-L443 HydrophobicContact CE1-CG 3.86Å; F358-E444 HydrophobicContact CE1-CG 3.64Å; F358-E444 HydrophobicContact CZ-CG 3.44Å; F358-E444 VanDerWaalsContact CZ-CG 3.44Å
359S97.9Very high96.8Very high50 Ų5030.5 Ų30.535%0.3517%0.169SC..  trans-76.7156.9165.674.10000110.7D361 E362 L363S359-D361 PolarHBondContact O-N 3.41Å; S359-E362 PolarHBondContact N-OE2 2.92Å; S359-E362 PolarHBondContact O-N 3.34Å; S359-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 VanDerWaalsContact OG-CG 3.29Å; S359-E362 WeakPolarHBondContact OG-CG 3.44Å; S359-E362 PolarHBondContact OG-N 2.85Å; S359-E362 VanDerWaalsContact OG-N 3.08Å; S359-L363 WeakPolarHBondContact O-CG 3.28Å; S359-L363 PolarHBondContact O-N 2.98Å; S359-L363 VanDerWaalsContact O-N 3.12Å
360L98.3Very high97Very high18 Ų1826.6 Ų26.69%0.09415%0.152CC..Hα-helixtrans-60.6-34171.9-73.4170.3000111.5F96 L100 Y103 T355 E362 L363 I364F96-L360 HydrophobicContact CE2-CD2 4.43Å; L100-L360 HydrophobicContact CD1-CD2 3.89Å; Y103-L360 HydrophobicContact CD1-CB 3.81Å; Y103-L360 HydrophobicContact CD1-CD1 4.1Å; Y103-L360 HydrophobicContact CD2-CD1 3.72Å; Y103-L360 HydrophobicContact CE1-CB 3.62Å; Y103-L360 HydrophobicContact CE1-CD1 4.38Å; Y103-L360 HydrophobicContact CE2-CD1 4.03Å; Y103-L360 HydrophobicContact CG-CB 4.35Å; Y103-L360 HydrophobicContact CG-CD1 3.75Å; T355-L360 HydrophobicContact CG2-CD2 4.01Å; T355-L360 HydrophobicContact CG2-CG 3.99Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 3.02Å; L360-L363 PolarHBondContact O-N 3.28Å; L360-I364 WeakPolarHBondContact O-CB 3.21Å; L360-I364 VanDerWaalsContact O-CG1 3.23Å; L360-I364 WeakPolarHBondContact O-CG1 3.19Å; L360-I364 PolarHBondContact O-N 2.78Å
361D98.7Very high97.5Very high49 Ų4924 Ų2426%0.26213%0.132SC..Hα-helixtrans-58.9-42.7173.1-73.8-32.6000112.2Y108 S359 T365Y108-D361 HydrophobicContact CD2-CB 4.49Å; Y108-D361 WeakPolarHBondContact CD2-OD1 3.46Å; S359-D361 PolarHBondContact O-N 3.41Å; D361-T365 WeakPolarHBondContact O-CB 3.19Å; D361-T365 PolarHBondContact O-N 2.88Å; D361-T365 PolarHBondContact O-OG1 3.39Å
362E98.5Very high97.8Very high39 Ų3921.6 Ų21.618%0.18212%0.12CC..Hα-helixtrans-66.3-46.6178.7-73.7169.2161.700111.5F161 K165 F358 S359 L360 T365 Q366F161-E362 HydrophobicContact CE1-CB 4.23Å; F161-E362 HydrophobicContact CE1-CG 4.48Å; F161-E362 WeakPolarHBondContact CE1-O 3.42Å; F161-E362 HydrophobicContact CZ-CB 4.41Å; F161-E362 HydrophobicContact CZ-CG 4.2Å; K165-E362 WeakPolarHBondContact CE-OE1 3.41Å; K165-E362 VanDerWaalsContact NZ-CD 3.29Å; K165-E362 IonicContact NZ-OE1 3.7Å; K165-E362 PolarHBondContact NZ-OE1 3.47Å; K165-E362 IonicContact NZ-OE2 2.84Å; K165-E362 PolarHBondContact NZ-OE2 3.27Å; F358-E362 WeakPolarHBondContact CA-OE2 3.24Å; S359-E362 PolarHBondContact N-OE2 2.92Å; S359-E362 PolarHBondContact O-N 3.34Å; S359-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 VanDerWaalsContact OG-CG 3.29Å; S359-E362 WeakPolarHBondContact OG-CG 3.44Å; S359-E362 PolarHBondContact OG-N 2.85Å; S359-E362 VanDerWaalsContact OG-N 3.08Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 3.02Å; E362-T365 PolarHBondContact O-N 3.13Å; E362-Q366 PolarHBondContact O-N 3.2Å
363L98.6Very high97.9Very high1 Ų123.3 Ų23.31%0.00513%0.131CC..Hα-helixtrans-62.3-46.4179.1-64.3177000111.4L335 Y338 L354 F358 S359 L360 Q366 V367L335-L363 HydrophobicContact CD1-CB 4.34Å; L335-L363 HydrophobicContact CD2-CB 3.76Å; L335-L363 HydrophobicContact CD2-CD2 3.95Å; L335-L363 HydrophobicContact CD2-CG 4.33Å; Y338-L363 HydrophobicContact CD1-CD2 3.87Å; Y338-L363 HydrophobicContact CG-CD2 4.03Å; L354-L363 HydrophobicContact CB-CD1 3.77Å; L354-L363 HydrophobicContact CD2-CD1 4.1Å; L354-L363 HydrophobicContact CD2-CD2 4.3Å; L354-L363 HydrophobicContact CG-CD1 4.38Å; F358-L363 HydrophobicContact CB-CD1 4.24Å; F358-L363 HydrophobicContact CB-CD2 3.64Å; F358-L363 HydrophobicContact CB-CG 3.77Å; F358-L363 HydrophobicContact CD2-CD2 3.73Å; F358-L363 HydrophobicContact CG-CD2 3.79Å; F358-L363 HydrophobicContact CG-CG 4.46Å; S359-L363 WeakPolarHBondContact O-CG 3.28Å; S359-L363 PolarHBondContact O-N 2.98Å; S359-L363 VanDerWaalsContact O-N 3.12Å; L360-L363 PolarHBondContact O-N 3.28Å; L363-Q366 PolarHBondContact O-N 3.26Å; L363-V367 WeakPolarHBondContact O-CG2 3.23Å; L363-V367 PolarHBondContact O-N 3.17Å; L363-V367 VanDerWaalsContact O-N 3.14Å
364I98.9Very high98Very high1 Ų130.4 Ų30.41%0.00516%0.161CC..Hα-helixtrans-67.6-39.2177.8-65.8167000110.5L100 Y103 W104 Y108 L360 Q366 V367 M368L100-I364 HydrophobicContact CD1-CD1 3.97Å; L100-I364 HydrophobicContact CD1-CG1 3.72Å; Y103-I364 HydrophobicContact CD1-CD1 3.69Å; Y103-I364 HydrophobicContact CE1-CD1 4.27Å; W104-I364 HydrophobicContact CB-CD1 3.89Å; W104-I364 HydrophobicContact CD2-CG2 3.81Å; W104-I364 HydrophobicContact CG-CD1 4.1Å; W104-I364 HydrophobicContact CG-CG1 4.45Å; W104-I364 HydrophobicContact CG-CG2 3.84Å; W104-I364 HydrophobicContact CZ2-CG2 4.17Å; W104-I364 VanDerWaalsContact NE1-CG2 3.33Å; Y108-I364 HydrophobicContact CD1-CG2 3.58Å; Y108-I364 HydrophobicContact CD2-CB 3.82Å; Y108-I364 HydrophobicContact CD2-CD1 4.18Å; Y108-I364 HydrophobicContact CD2-CG2 3.67Å; Y108-I364 HydrophobicContact CE1-CG2 3.56Å; Y108-I364 HydrophobicContact CE2-CB 3.84Å; Y108-I364 HydrophobicContact CE2-CG2 3.67Å; Y108-I364 HydrophobicContact CG-CB 4.2Å; Y108-I364 HydrophobicContact CG-CD1 4.18Å; Y108-I364 HydrophobicContact CG-CG2 3.62Å; L360-I364 WeakPolarHBondContact O-CB 3.21Å; L360-I364 VanDerWaalsContact O-CG1 3.23Å; L360-I364 WeakPolarHBondContact O-CG1 3.19Å; L360-I364 PolarHBondContact O-N 2.78Å; I364-Q366 VanDerWaalsContact C-N 3.3Å; I364-Q366 PolarHBondContact O-N 3.22Å; I364-V367 CarbonylContact O-C 3.22Å; I364-V367 PolarHBondContact O-N 3.19Å; I364-V367 VanDerWaalsContact O-N 3.15Å; I364-M368 HydrophobicContact CG2-CG 3.99Å; I364-M368 WeakPolarHBondContact O-CB 3.32Å; I364-M368 VanDerWaalsContact O-CG 3.3Å; I364-M368 WeakPolarHBondContact O-CG 3.19Å; I364-M368 PolarHBondContact O-N 2.98Å
365T98.9Very high98.1Very high8 Ų830.6 Ų30.65%0.04916%0.162CC..Hα-helixtrans-59.6-42.2176.4-63.30000111.6Y108 A113 L117 F161 D361 E362 M368 I369Y108-T365 WeakPolarHBondContact CE2-OG1 3.48Å; Y108-T365 WeakPolarHBondContact OH-CA 3.26Å; Y108-T365 PolarHBondContact OH-OG1 3.49Å; A113-T365 HydrophobicContact CB-CG2 4.24Å; L117-T365 HydrophobicContact CD1-CG2 4.17Å; L117-T365 HydrophobicContact CD2-CG2 4.38Å; L117-T365 HydrophobicContact CG-CG2 4.49Å; F161-T365 HydrophobicContact CD1-CG2 4.39Å; F161-T365 HydrophobicContact CD2-CG2 4.33Å; F161-T365 HydrophobicContact CE1-CG2 4.15Å; F161-T365 HydrophobicContact CE2-CG2 4.08Å; F161-T365 HydrophobicContact CG-CG2 4.48Å; F161-T365 HydrophobicContact CZ-CG2 3.98Å; D361-T365 WeakPolarHBondContact O-CB 3.19Å; D361-T365 PolarHBondContact O-N 2.88Å; D361-T365 PolarHBondContact O-OG1 3.39Å; E362-T365 PolarHBondContact O-N 3.13Å; T365-M368 PolarHBondContact O-N 2.75Å; T365-I369 HydrophobicContact CG2-CD1 4.43Å; T365-I369 WeakPolarHBondContact O-CG1 3.41Å; T365-I369 PolarHBondContact O-N 3.04Å
366Q98.8Very high98.2Very high1 Ų126.9 Ų26.91%0.00514%0.139CC..Hα-helixtrans-61.4-44.9174.8178.859.628.100112.1P157 S159 F161 V334 Y338 E362 L363 I364 M368 I369 Y370P157-Q366 PolarHBondContact O-NE2 3.05Å; S159-Q366 VanDerWaalsContact N-NE2 3.18Å; S159-Q366 PolarHBondContact OG-OE1 3.02Å; F161-Q366 HydrophobicContact CD1-CB 4.31Å; V334-Q366 HydrophobicContact CG1-CG 4.5Å; Y338-Q366 HydrophobicContact CE2-CG 3.94Å; Y338-Q366 WeakPolarHBondContact OH-CG 3.31Å; E362-Q366 PolarHBondContact O-N 3.2Å; L363-Q366 PolarHBondContact O-N 3.26Å; I364-Q366 VanDerWaalsContact C-N 3.3Å; I364-Q366 PolarHBondContact O-N 3.22Å; Q366-M368 VanDerWaalsContact C-N 3.34Å; Q366-I369 PolarHBondContact O-N 3.37Å; Q366-Y370 VanDerWaalsContact NE2-CE2 3.32Å
367V98.8Very high98.2Very high1 Ų124 Ų241%0.00612%0.124CC..Hα-helixtrans-64.6-39.7175.61740000111.5W104 L330 A331 V334 L335 L363 I364 I369 Y370 W371W104-V367 HydrophobicContact CH2-CG1 3.63Å; W104-V367 HydrophobicContact CZ2-CG1 4.4Å; W104-V367 HydrophobicContact CZ3-CG1 4.19Å; L330-V367 HydrophobicContact CD2-CG1 4.17Å; L330-V367 HydrophobicContact CG-CG1 4.14Å; A331-V367 HydrophobicContact CB-CG1 4.02Å; A331-V367 HydrophobicContact CB-CG2 4.24Å; V334-V367 HydrophobicContact CB-CG2 4.26Å; V334-V367 HydrophobicContact CG1-CG2 4.07Å; L335-V367 HydrophobicContact CD1-CG2 4.21Å; L335-V367 HydrophobicContact CD2-CG2 3.87Å; L335-V367 HydrophobicContact CG-CG2 3.87Å; L363-V367 WeakPolarHBondContact O-CG2 3.23Å; L363-V367 PolarHBondContact O-N 3.17Å; L363-V367 VanDerWaalsContact O-N 3.14Å; I364-V367 CarbonylContact O-C 3.22Å; I364-V367 PolarHBondContact O-N 3.19Å; I364-V367 VanDerWaalsContact O-N 3.15Å; V367-I369 VanDerWaalsContact C-N 3.34Å; V367-I369 PolarHBondContact O-N 3.49Å; V367-Y370 WeakPolarHBondContact O-CB 3.45Å; V367-Y370 PolarHBondContact O-N 3.5Å; V367-Y370 VanDerWaalsContact O-N 3.13Å; V367-W371 PolarHBondContact O-N 3.3Å
368M98.8Very high98.3Very high1 Ų122.7 Ų22.71%0.00512%0.117CC..Hα-helixtrans-62-41.4178.8-81.8-66.2-71.500111.6L67 L70 W104 Y108 W110 I364 T365 Q366 Y370 W371 V372L67-M368 HydrophobicContact CD2-CE 3.73Å; L70-M368 HydrophobicContact CD2-CE 3.8Å; L70-M368 HydrophobicContact CD2-SD 3.31Å; L70-M368 WeakPolarHBondContact CD2-SD 3.32Å; W104-M368 HydrophobicContact CZ2-CG 3.98Å; W104-M368 HydrophobicContact CZ2-SD 3.53Å; W104-M368 VanDerWaalsContact CZ2-SD 3.53Å; Y108-M368 HydrophobicContact CE1-CG 3.82Å; W110-M368 HydrophobicContact CB-CE 4.04Å; W110-M368 HydrophobicContact CD2-CE 3.41Å; W110-M368 VanDerWaalsContact CD2-CE 3.41Å; W110-M368 HydrophobicContact CE3-CB 3.58Å; W110-M368 HydrophobicContact CE3-CE 3.38Å; W110-M368 HydrophobicContact CE3-CG 3.79Å; W110-M368 HydrophobicContact CE3-SD 4.42Å; W110-M368 HydrophobicContact CG-CE 3.69Å; W110-M368 HydrophobicContact CH2-CB 4.23Å; W110-M368 HydrophobicContact CZ3-CB 3.31Å; W110-M368 HydrophobicContact CZ3-CE 4.1Å; W110-M368 HydrophobicContact CZ3-CG 4.07Å; I364-M368 HydrophobicContact CG2-CG 3.99Å; I364-M368 WeakPolarHBondContact O-CB 3.32Å; I364-M368 VanDerWaalsContact O-CG 3.3Å; I364-M368 WeakPolarHBondContact O-CG 3.19Å; I364-M368 PolarHBondContact O-N 2.98Å; T365-M368 PolarHBondContact O-N 2.75Å; Q366-M368 VanDerWaalsContact C-N 3.34Å; M368-Y370 PolarHBondContact O-N 3.12Å; M368-W371 PolarHBondContact O-N 2.88Å; M368-V372 HydrophobicContact CE-CG1 3.5Å; M368-V372 VanDerWaalsContact CE-CG1 3.5Å; M368-V372 WeakPolarHBondContact O-CG1 3.42Å; M368-V372 VanDerWaalsContact O-CG2 3.26Å; M368-V372 WeakPolarHBondContact O-CG2 3.41Å; M368-V372 PolarHBondContact O-N 3.4Å; M368-V372 HydrophobicContact SD-CG1 4.38Å
369I98.9Very high98.3Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-55.5-42.9174.7-70.4165.4000110.4L117 S159 F160 F161 A197 T365 Q366 V367 T373L117-I369 HydrophobicContact CD1-CD1 4.34Å; L117-I369 HydrophobicContact CD1-CG1 4.33Å; L117-I369 HydrophobicContact CD2-CD1 4.37Å; S159-I369 WeakPolarHBondContact OG-CD1 3.19Å; F160-I369 HydrophobicContact CE1-CD1 4.23Å; F160-I369 HydrophobicContact CE1-CG2 4.37Å; F160-I369 HydrophobicContact CZ-CD1 4.15Å; F161-I369 HydrophobicContact CB-CD1 3.6Å; F161-I369 HydrophobicContact CG-CD1 4.15Å; A197-I369 HydrophobicContact CB-CG2 3.67Å; T365-I369 HydrophobicContact CG2-CD1 4.43Å; T365-I369 WeakPolarHBondContact O-CG1 3.41Å; T365-I369 PolarHBondContact O-N 3.04Å; Q366-I369 PolarHBondContact O-N 3.37Å; V367-I369 VanDerWaalsContact C-N 3.34Å; V367-I369 PolarHBondContact O-N 3.49Å; I369-T373 WeakPolarHBondContact O-CB 3.44Å; I369-T373 VanDerWaalsContact O-CG2 3.23Å; I369-T373 WeakPolarHBondContact O-CG2 3.18Å; I369-T373 PolarHBondContact O-N 3.44Å; I369-T373 PolarHBondContact O-OG1 3.13Å
370Y98.8Very high98.2Very high4 Ų419.9 Ų19.92%0.01610%0.099CC..Hα-helixtrans-66.3-41.9175.3-86.7-108000113.1P157 S158 L330 Q366 V367 M368 K374 C375 A376 S379P157-Y370 VanDerWaalsContact CA-OH 3.31Å; P157-Y370 WeakPolarHBondContact CA-OH 3.35Å; P157-Y370 WeakPolarHBondContact O-CE2 3.23Å; P157-Y370 PolarHBondContact O-OH 2.86Å; S158-Y370 PolarHBondContact O-OH 3.33Å; S158-Y370 VanDerWaalsContact O-OH 3.1Å; L330-Y370 HydrophobicContact CD1-CD1 4.46Å; Q366-Y370 VanDerWaalsContact NE2-CE2 3.32Å; V367-Y370 WeakPolarHBondContact O-CB 3.45Å; V367-Y370 PolarHBondContact O-N 3.5Å; V367-Y370 VanDerWaalsContact O-N 3.13Å; M368-Y370 PolarHBondContact O-N 3.12Å; Y370-K374 WeakPolarHBondContact O-CA 3.5Å; Y370-K374 PolarHBondContact O-N 3.03Å; Y370-C375 PolarHBondContact O-N 3.04Å; Y370-C375 VanDerWaalsContact O-N 3.14Å; Y370-A376 HydrophobicContact CD1-CB 4.1Å; Y370-S379 WeakPolarHBondContact CE1-OG 3.37Å
371W98.6Very high98.2Very high19 Ų1922 Ų227%0.07211%0.106CC..Hα-helixtrans-67.5-56.8-177.6179.8-100.8000112.2L70 V324 P327 L330 V367 M368 T373 K374L70-W371 HydrophobicContact CD1-CD2 4.17Å; L70-W371 HydrophobicContact CD1-CG 4.25Å; L70-W371 HydrophobicContact CD1-CZ2 4.3Å; V324-W371 WeakPolarHBondContact O-CZ3 3.29Å; P327-W371 HydrophobicContact CB-CD2 4.16Å; P327-W371 HydrophobicContact CB-CE3 3.88Å; P327-W371 HydrophobicContact CB-CH2 4.12Å; P327-W371 HydrophobicContact CB-CZ2 4.36Å; P327-W371 HydrophobicContact CB-CZ3 3.86Å; P327-W371 HydrophobicContact CG-CH2 4.2Å; P327-W371 HydrophobicContact CG-CZ3 4.34Å; L330-W371 HydrophobicContact CD2-CB 3.97Å; L330-W371 HydrophobicContact CD2-CE3 4.06Å; V367-W371 PolarHBondContact O-N 3.3Å; M368-W371 PolarHBondContact O-N 2.88Å; W371-T373 VanDerWaalsContact C-N 3.28Å; W371-T373 PolarHBondContact O-N 3.12Å; W371-K374 PolarHBondContact O-N 2.7Å
372V98.5Very high98Very high17 Ų1719.9 Ų19.910%0.1039%0.094CC..Hα-helixtrans-68.7-28.1-171.7-56.70000112.6I62 V66 W110 M368I62-V372 HydrophobicContact CD1-CB 3.84Å; I62-V372 HydrophobicContact CD1-CG2 3.63Å; I62-V372 HydrophobicContact CG1-CB 4Å; I62-V372 HydrophobicContact CG1-CG1 4.26Å; I62-V372 HydrophobicContact CG1-CG2 3.94Å; I62-V372 HydrophobicContact CG2-CB 4.11Å; I62-V372 HydrophobicContact CG2-CG1 4.01Å; V66-V372 HydrophobicContact CG1-CG1 4.49Å; W110-V372 HydrophobicContact CH2-CG2 4.19Å; W110-V372 HydrophobicContact CZ2-CG1 4.46Å; W110-V372 HydrophobicContact CZ2-CG2 4.19Å; M368-V372 HydrophobicContact CE-CG1 3.5Å; M368-V372 VanDerWaalsContact CE-CG1 3.5Å; M368-V372 WeakPolarHBondContact O-CG1 3.42Å; M368-V372 VanDerWaalsContact O-CG2 3.26Å; M368-V372 WeakPolarHBondContact O-CG2 3.41Å; M368-V372 PolarHBondContact O-N 3.4Å; M368-V372 HydrophobicContact SD-CG1 4.38Å
373T98.2Very high97.9Very high37 Ų3718.1 Ų18.123%0.2279%0.086CC..THydrogen-bonded Turntrans-88.5-8.8175.564.90000112.9A197 F198 I369 W371 C375A197-T373 WeakPolarHBondContact O-CB 2.76Å; A197-T373 WeakPolarHBondContact O-CG2 3.2Å; A197-T373 PolarHBondContact O-OG1 3.08Å; F198-T373 HydrophobicContact CD1-CG2 3.61Å; F198-T373 HydrophobicContact CD2-CG2 4.48Å; F198-T373 HydrophobicContact CE1-CG2 3.47Å; F198-T373 VanDerWaalsContact CE1-CG2 3.47Å; F198-T373 HydrophobicContact CE2-CG2 4.35Å; F198-T373 HydrophobicContact CG-CG2 4.12Å; F198-T373 HydrophobicContact CZ-CG2 3.85Å; I369-T373 WeakPolarHBondContact O-CB 3.44Å; I369-T373 VanDerWaalsContact O-CG2 3.23Å; I369-T373 WeakPolarHBondContact O-CG2 3.18Å; I369-T373 PolarHBondContact O-N 3.44Å; I369-T373 PolarHBondContact O-OG1 3.13Å; W371-T373 VanDerWaalsContact C-N 3.28Å; W371-T373 PolarHBondContact O-N 3.12Å; T373-C375 PolarHBondContact O-N 2.93Å; T373-C375 VanDerWaalsContact O-N 3.15Å; T373-C375 VanDerWaalsContact OG1-CB 3.28Å; T373-C375 WeakPolarHBondContact OG1-CB 3.28Å; T373-C375 PolarHBondContact OG1-N 3.43Å; T373-C375 PolarHBondContact OG1-SG 3.25Å
374K97.5Very high97.8Very high154 Ų15421.6 Ų21.667%0.6710%0.101SC*.THydrogen-bonded Turntrans54.226.4-171.8-55.5176.4-178.5177.10112.6Y370 W371 A376 P378Y370-K374 WeakPolarHBondContact O-CA 3.5Å; Y370-K374 PolarHBondContact O-N 3.03Å; W371-K374 PolarHBondContact O-N 2.7Å; K374-A376 VanDerWaalsContact C-N 3.25Å; K374-A376 PolarHBondContact O-N 3.28Å; K374-P378 WeakPolarHBondContact O-CD 3.41Å
375C98Very high97.6Very high4 Ų422.8 Ų22.83%0.02711%0.106CC..THydrogen-bonded Turntrans-80.3-4-175.282.80000113.5A197 Y370 T373 M377 P378 S379A197-C375 PolarHBondContact N-SG 3.1Å; Y370-C375 PolarHBondContact O-N 3.04Å; Y370-C375 VanDerWaalsContact O-N 3.14Å; T373-C375 PolarHBondContact O-N 2.93Å; T373-C375 VanDerWaalsContact O-N 3.15Å; T373-C375 VanDerWaalsContact OG1-CB 3.28Å; T373-C375 WeakPolarHBondContact OG1-CB 3.28Å; T373-C375 PolarHBondContact OG1-N 3.43Å; T373-C375 PolarHBondContact OG1-SG 3.25Å; C375-M377 PolarHBondContact O-N 2.96Å; C375-P378 HydrophobicContact CB-CG 4.36Å; C375-P378 VanDerWaalsContact O-CD 3.31Å; C375-P378 WeakPolarHBondContact O-CD 3.34Å; C375-P378 WeakPolarHBondContact O-CG 3.42Å; C375-S379 WeakPolarHBondContact O-CB 3.12Å; C375-S379 PolarHBondContact O-N 3.39Å; C375-S379 PolarHBondContact O-OG 2.84Å
376A97.5Very high97.3Very high3 Ų323 Ų233%0.02511%0.107CC..Hα-helixtrans-55.8-46.4178.300000113L323 V324 L330 Y370 K374 S379L323-A376 HydrophobicContact CB-CB 3.92Å; V324-A376 HydrophobicContact CG1-CB 4.35Å; L330-A376 HydrophobicContact CD1-CB 3.65Å; Y370-A376 HydrophobicContact CD1-CB 4.1Å; K374-A376 VanDerWaalsContact C-N 3.25Å; K374-A376 PolarHBondContact O-N 3.28Å; A376-S379 PolarHBondContact O-OG 3.25Å
377M97Very high97Very high46 Ų4626.8 Ų26.823%0.22712%0.123CC..Hα-helixtrans-68.6-53.2177.1-178.1-75.2-69.400113.1V324 C375 S379 V380 R381V324-M377 HydrophobicContact CG1-CB 3.58Å; C375-M377 PolarHBondContact O-N 2.96Å; M377-S379 VanDerWaalsContact C-N 3.3Å; M377-S379 PolarHBondContact O-N 2.75Å; M377-V380 WeakPolarHBondContact O-CG2 3.16Å; M377-V380 PolarHBondContact O-N 3.22Å; M377-R381 HydrophobicContact SD-CG 4.48Å; M377-R381 PolarHBondContact SD-NE 2.62Å
378P97.3Very high96.5Very high15 Ų1530.5 Ų30.510%0.09715%0.146CC..Hα-helixtrans-66.4-31.6-177.724.8-34.5000113A201 K374 C375 V380 R381A201-P378 HydrophobicContact CB-CB 3.49Å; A201-P378 VanDerWaalsContact CB-CB 3.49Å; A201-P378 HydrophobicContact CB-CG 3.84Å; K374-P378 WeakPolarHBondContact O-CD 3.41Å; C375-P378 HydrophobicContact CB-CG 4.36Å; C375-P378 VanDerWaalsContact O-CD 3.31Å; C375-P378 WeakPolarHBondContact O-CD 3.34Å; C375-P378 WeakPolarHBondContact O-CG 3.42Å; P378-V380 VanDerWaalsContact C-N 3.29Å; P378-V380 PolarHBondContact O-N 2.89Å; P378-R381 WeakPolarHBondContact O-CB 3.49Å; P378-R381 PolarHBondContact O-N 3.16Å; P378-R381 VanDerWaalsContact O-N 3.13Å
379S97.5Very high96Very high0 Ų032.1 Ų32.10%015%0.153CC..Hα-helixtrans-59-38.7178.267.20000113G195 H196 Y370 C375 A376 M377 R381 Y382G195-S379 PolarHBondContact O-N 3.26Å; H196-S379 VanDerWaalsContact CE1-CA 3.48Å; H196-S379 WeakPolarHBondContact CE1-CA 3.23Å; H196-S379 VanDerWaalsContact NE2-CB 3.35Å; H196-S379 WeakPolarHBondContact NE2-CB 3.49Å; Y370-S379 WeakPolarHBondContact CE1-OG 3.37Å; C375-S379 WeakPolarHBondContact O-CB 3.12Å; C375-S379 PolarHBondContact O-N 3.39Å; C375-S379 PolarHBondContact O-OG 2.84Å; A376-S379 PolarHBondContact O-OG 3.25Å; M377-S379 VanDerWaalsContact C-N 3.3Å; M377-S379 PolarHBondContact O-N 2.75Å; S379-R381 VanDerWaalsContact C-N 3.29Å; S379-R381 PolarHBondContact O-N 3.1Å; S379-Y382 WeakPolarHBondContact O-CB 3.39Å; S379-Y382 PolarHBondContact O-N 3.15Å
380V97Very high95.4Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-74.5-18.5-179.2-62.50000113Q312 P316 I319 L323 M377 P378 Y382 Y383Q312-V380 HydrophobicContact CB-CB 4.18Å; Q312-V380 VanDerWaalsContact CD-CG1 3.45Å; Q312-V380 HydrophobicContact CG-CB 3.79Å; Q312-V380 HydrophobicContact CG-CG1 3.83Å; P316-V380 HydrophobicContact CB-CB 4.31Å; P316-V380 HydrophobicContact CB-CG2 3.79Å; P316-V380 WeakPolarHBondContact O-CG2 3.43Å; I319-V380 HydrophobicContact CG2-CG2 4.35Å; L323-V380 HydrophobicContact CD1-CG1 4.35Å; M377-V380 WeakPolarHBondContact O-CG2 3.16Å; M377-V380 PolarHBondContact O-N 3.22Å; P378-V380 VanDerWaalsContact C-N 3.29Å; P378-V380 PolarHBondContact O-N 2.89Å; V380-Y382 PolarHBondContact O-N 3.49Å; V380-Y383 PolarHBondContact O-N 2.97Å
381R97Very high94.9Very high62 Ų6243 Ų4323%0.23421%0.207CC..Hα-helixtrans-62.8-26.4172.8-68.3177.4172.9156.2-2.8111.9P316 E317 M377 P378 S379 Y383 K384 E385P316-R381 HydrophobicContact CB-CG 4.16Å; P316-R381 HydrophobicContact CG-CG 4.19Å; E317-R381 IonicContact OE1-CZ 2.97Å; E317-R381 IonicContact OE1-NE 3.44Å; E317-R381 PolarHBondContact OE1-NE 3.32Å; E317-R381 IonicContact OE1-NH2 2.87Å; E317-R381 PolarHBondContact OE1-NH2 2.89Å; M377-R381 HydrophobicContact SD-CG 4.48Å; M377-R381 PolarHBondContact SD-NE 2.62Å; P378-R381 WeakPolarHBondContact O-CB 3.49Å; P378-R381 PolarHBondContact O-N 3.16Å; P378-R381 VanDerWaalsContact O-N 3.13Å; S379-R381 VanDerWaalsContact C-N 3.29Å; S379-R381 PolarHBondContact O-N 3.1Å; R381-Y383 PolarHBondContact O-N 3.13Å; R381-Y383 VanDerWaalsContact O-N 3.17Å; R381-K384 WeakPolarHBondContact O-CB 3.38Å; R381-K384 PolarHBondContact O-N 2.81Å; R381-E385 WeakPolarHBondContact O-CG 3.15Å; R381-E385 PolarHBondContact O-N 3.34Å
382Y94.7Very high94.3Very high5 Ų542.2 Ų42.22%0.0220%0.204CC..Hα-helixtrans-55.9-34.9-179.1-152.1-106.1000112.7T209 T212 W235 V239 S379 V380 F386T209-Y382 WeakPolarHBondContact CA-OH 3.49Å; T209-Y382 HydrophobicContact CG2-CD1 4.44Å; T209-Y382 HydrophobicContact CG2-CE1 3.45Å; T209-Y382 VanDerWaalsContact CG2-CE1 3.45Å; T212-Y382 WeakPolarHBondContact CB-OH 3.48Å; T212-Y382 WeakPolarHBondContact OG1-CE2 3.31Å; T212-Y382 PolarHBondContact OG1-OH 3.39Å; W235-Y382 HydrophobicContact CB-CD1 4.29Å; W235-Y382 HydrophobicContact CB-CE1 3.85Å; W235-Y382 AromaticContact CD1-CD1 3.81Å; W235-Y382 AromaticContact CD2-CD1 3.58Å; W235-Y382 HydrophobicContact CD2-CD1 3.58Å; W235-Y382 AromaticContact CD2-CE1 3.73Å; W235-Y382 HydrophobicContact CD2-CE1 3.73Å; W235-Y382 AromaticContact CE2-CD1 3.77Å; W235-Y382 HydrophobicContact CE3-CD1 4.05Å; W235-Y382 AromaticContact CE3-CE1 3.92Å; W235-Y382 HydrophobicContact CE3-CE1 3.92Å; W235-Y382 AromaticContact CG-CD1 3.67Å; W235-Y382 HydrophobicContact CG-CD1 3.67Å; W235-Y382 AromaticContact CG-CE1 3.69Å; W235-Y382 HydrophobicContact CG-CE1 3.69Å; W235-Y382 HydrophobicContact CZ2-CD1 4.39Å; W235-Y382 AromaticContact NE1-CD1 3.89Å; V239-Y382 VanDerWaalsContact CG2-OH 3.23Å; V239-Y382 WeakPolarHBondContact CG2-OH 3.48Å; S379-Y382 WeakPolarHBondContact O-CB 3.39Å; S379-Y382 PolarHBondContact O-N 3.15Å; V380-Y382 PolarHBondContact O-N 3.49Å; Y382-F386 WeakPolarHBondContact O-CB 3.5Å; Y382-F386 PolarHBondContact O-N 2.73Å
383Y96.4Very high93.6Very high1 Ų144 Ų440%0.00421%0.21CC..Hα-helixtrans-64.5-48.7173.5-70.5-101.9000111.6W156 Q234 W235 Y308 L309 Q312 V380 R381 E385 F386 F387W156-Y383 HydrophobicContact CB-CE2 4.14Å; W156-Y383 AromaticContact CD2-CE2 3.95Å; W156-Y383 HydrophobicContact CD2-CE2 3.95Å; W156-Y383 HydrophobicContact CE3-CE2 4.26Å; W156-Y383 AromaticContact CE3-CZ 3.95Å; W156-Y383 AromaticContact CG-CE2 3.87Å; W156-Y383 HydrophobicContact CG-CE2 3.87Å; Q234-Y383 PolarHBondContact NE2-OH 3.35Å; W235-Y383 AromaticContact CE2-CE2 3.92Å; W235-Y383 AromaticContact CE2-CZ 3.76Å; W235-Y383 HydrophobicContact CH2-CD1 4.41Å; W235-Y383 AromaticContact CZ2-CD1 3.52Å; W235-Y383 HydrophobicContact CZ2-CD1 3.52Å; W235-Y383 AromaticContact CZ2-CD2 4Å; W235-Y383 HydrophobicContact CZ2-CD2 4Å; W235-Y383 AromaticContact CZ2-CE1 3.52Å; W235-Y383 HydrophobicContact CZ2-CE1 3.52Å; W235-Y383 HydrophobicContact CZ2-CE2 4Å; W235-Y383 AromaticContact CZ2-CG 3.73Å; W235-Y383 HydrophobicContact CZ2-CG 3.73Å; W235-Y383 AromaticContact CZ2-CZ 3.75Å; W235-Y383 AromaticContact NE1-CD2 3.9Å; W235-Y383 AromaticContact NE1-CE1 3.96Å; W235-Y383 AromaticContact NE1-CE2 3.22Å; W235-Y383 AromaticContact NE1-CZ 3.23Å; W235-Y383 PolarHBondContact NE1-OH 3.04Å; Y308-Y383 HydrophobicContact CD2-CE1 4.48Å; Y308-Y383 AromaticContact CE2-CE1 3.68Å; Y308-Y383 HydrophobicContact CE2-CE1 3.68Å; Y308-Y383 AromaticContact CE2-CZ 3.74Å; Y308-Y383 WeakPolarHBondContact CE2-OH 3.16Å; L309-Y383 HydrophobicContact CB-CD1 4.43Å; L309-Y383 HydrophobicContact CB-CE1 4.36Å; L309-Y383 HydrophobicContact CD1-CE1 4.45Å; L309-Y383 HydrophobicContact CG-CD1 4.02Å; L309-Y383 HydrophobicContact CG-CE1 4.17Å; Q312-Y383 HydrophobicContact CB-CD1 4.36Å; Q312-Y383 HydrophobicContact CB-CD2 3.94Å; Q312-Y383 HydrophobicContact CB-CG 3.76Å; V380-Y383 PolarHBondContact O-N 2.97Å; R381-Y383 PolarHBondContact O-N 3.13Å; R381-Y383 VanDerWaalsContact O-N 3.17Å; Y383-E385 VanDerWaalsContact C-N 3.31Å; Y383-E385 PolarHBondContact O-N 3.33Å; Y383-F386 WeakPolarHBondContact O-CB 3.32Å; Y383-F386 PolarHBondContact O-N 3.37Å; Y383-F387 VanDerWaalsContact O-CD2 3.25Å; Y383-F387 WeakPolarHBondContact O-CD2 3.04Å; Y383-F387 PolarHBondContact O-N 3.46Å; Y383-F387 VanDerWaalsContact O-N 3.09Å
384K96.3Very high93.1Very high74 Ų7443.9 Ų43.932%0.32221%0.209SC..Hα-helixtrans-59-45.2178.1-179.465.6174.9-175.90111.2A313 T314 P316 R381 F386 F387 T388A313-K384 WeakPolarHBondContact O-CD 3.34Å; T314-K384 PolarHBondContact O-NZ 3.26Å; P316-K384 HydrophobicContact CG-CB 3.88Å; P316-K384 HydrophobicContact CG-CG 4.33Å; R381-K384 WeakPolarHBondContact O-CB 3.38Å; R381-K384 PolarHBondContact O-N 2.81Å; K384-F386 VanDerWaalsContact C-N 3.32Å; K384-F386 PolarHBondContact O-N 3.25Å; K384-F387 PolarHBondContact O-N 3.3Å; K384-T388 HydrophobicContact CD-CG2 4.03Å; K384-T388 WeakPolarHBondContact O-CB 3.32Å; K384-T388 VanDerWaalsContact O-CG2 3.29Å; K384-T388 WeakPolarHBondContact O-CG2 3.05Å; K384-T388 PolarHBondContact O-N 3.3Å; K384-T388 PolarHBondContact O-OG1 3.19Å
385E95.6Very high92.7Very high27 Ų2736.7 Ų36.713%0.12618%0.178CC..Hα-helixtrans-63.5-38.5177.8-65.6-58.6154.100111.6G206 R381 Y383 Q389G206-E385 WeakPolarHBondContact CA-OE2 3.21Å; G206-E385 PolarHBondContact N-OE2 3.39Å; R381-E385 WeakPolarHBondContact O-CG 3.15Å; R381-E385 PolarHBondContact O-N 3.34Å; Y383-E385 VanDerWaalsContact C-N 3.31Å; Y383-E385 PolarHBondContact O-N 3.33Å; E385-Q389 VanDerWaalsContact O-CG 3.31Å; E385-Q389 WeakPolarHBondContact O-CG 3.38Å; E385-Q389 PolarHBondContact O-NE2 3.49Å; E385-Q389 PolarHBondContact OE2-NE2 2.9Å; E385-Q389 VanDerWaalsContact OE2-NE2 3.12Å
386F93.2Very high92.1Very high12 Ų1237.1 Ų37.15%0.05318%0.18CC..Hα-helixtrans-60.9-52.9176-174.3-100.8000112.4T209 W235 L238 Y382 Y383 K384 T388 H392 L396T209-F386 HydrophobicContact CG2-CD2 4.02Å; T209-F386 HydrophobicContact CG2-CE2 4.42Å; T209-F386 WeakPolarHBondContact OG1-CD2 3.39Å; W235-F386 HydrophobicContact CH2-CB 3.62Å; W235-F386 AromaticContact CH2-CD1 3.85Å; W235-F386 HydrophobicContact CH2-CD1 3.85Å; W235-F386 HydrophobicContact CH2-CD2 4.09Å; W235-F386 AromaticContact CH2-CG 3.58Å; W235-F386 HydrophobicContact CH2-CG 3.58Å; W235-F386 HydrophobicContact CZ3-CB 3.9Å; W235-F386 HydrophobicContact CZ3-CD1 4.02Å; W235-F386 AromaticContact CZ3-CD2 3.54Å; W235-F386 HydrophobicContact CZ3-CD2 3.54Å; W235-F386 HydrophobicContact CZ3-CE1 4.41Å; W235-F386 AromaticContact CZ3-CE2 3.98Å; W235-F386 HydrophobicContact CZ3-CE2 3.98Å; W235-F386 AromaticContact CZ3-CG 3.53Å; W235-F386 HydrophobicContact CZ3-CG 3.53Å; W235-F386 HydrophobicContact CZ3-CZ 4.38Å; L238-F386 HydrophobicContact CD1-CE2 3.97Å; L238-F386 HydrophobicContact CD1-CZ 4.05Å; Y382-F386 WeakPolarHBondContact O-CB 3.5Å; Y382-F386 PolarHBondContact O-N 2.73Å; Y383-F386 WeakPolarHBondContact O-CB 3.32Å; Y383-F386 PolarHBondContact O-N 3.37Å; K384-F386 VanDerWaalsContact C-N 3.32Å; K384-F386 PolarHBondContact O-N 3.25Å; F386-T388 VanDerWaalsContact C-N 3.31Å; F386-T388 PolarHBondContact O-N 3.46Å; F386-H392 WeakPolarHBondContact CA-ND1 3.4Å; F386-H392 HydrophobicContact CD2-CB 4.01Å; F386-H392 AromaticContact CD2-CG 3.79Å; F386-H392 AromaticContact CD2-ND1 3.84Å; F386-H392 HydrophobicContact CE2-CB 3.81Å; F386-H392 HydrophobicContact CZ-CB 4.33Å; F386-H392 PolarHBondContact O-ND1 2.86Å; F386-L396 HydrophobicContact CE1-CD1 4.29Å; F386-L396 HydrophobicContact CZ-CD1 3.78Å; F386-L396 HydrophobicContact CZ-CG 4.3Å
387F91.1Very high91.5Very high81 Ų8137.3 Ų37.336%0.35518%0.183SC..Hα-helixtrans-78.1-8.6-172.8-75-75.7000114.9L309 A313 Y383 K384 F393L309-F387 HydrophobicContact CD1-CZ 4.44Å; L309-F387 HydrophobicContact CD2-CE2 3.84Å; L309-F387 HydrophobicContact CD2-CZ 3.85Å; L309-F387 HydrophobicContact CG-CE2 4.19Å; L309-F387 HydrophobicContact CG-CZ 4.43Å; A313-F387 HydrophobicContact CB-CB 4.49Å; A313-F387 HydrophobicContact CB-CD2 3.46Å; A313-F387 VanDerWaalsContact CB-CD2 3.46Å; A313-F387 HydrophobicContact CB-CE2 3.98Å; A313-F387 HydrophobicContact CB-CG 4.19Å; Y383-F387 VanDerWaalsContact O-CD2 3.25Å; Y383-F387 WeakPolarHBondContact O-CD2 3.04Å; Y383-F387 PolarHBondContact O-N 3.46Å; Y383-F387 VanDerWaalsContact O-N 3.09Å; K384-F387 PolarHBondContact O-N 3.3Å; F387-F393 HydrophobicContact CD1-CZ 4.11Å
388T89.4Confident91Very high78 Ų7835.1 Ų35.148%0.47917%0.172SC..Hα-helixtrans-102.7-14.1-179.151.30000114.2K384 F386K384-T388 HydrophobicContact CD-CG2 4.03Å; K384-T388 WeakPolarHBondContact O-CB 3.32Å; K384-T388 VanDerWaalsContact O-CG2 3.29Å; K384-T388 WeakPolarHBondContact O-CG2 3.05Å; K384-T388 PolarHBondContact O-N 3.3Å; K384-T388 PolarHBondContact O-OG1 3.19Å; F386-T388 VanDerWaalsContact C-N 3.31Å; F386-T388 PolarHBondContact O-N 3.46Å
389Q87.2Confident90.6Very high36 Ų3635.2 Ų35.217%0.16817%0.172CC..  trans-100.8122.1-178.8-60.7175.836.800110.6G206 E385 D391 H392G206-Q389 PolarHBondContact O-NE2 3.18Å; G206-Q389 PolarHBondContact O-OE1 3.36Å; E385-Q389 VanDerWaalsContact O-CG 3.31Å; E385-Q389 WeakPolarHBondContact O-CG 3.38Å; E385-Q389 PolarHBondContact O-NE2 3.49Å; E385-Q389 PolarHBondContact OE2-NE2 2.9Å; E385-Q389 VanDerWaalsContact OE2-NE2 3.12Å; Q389-D391 VanDerWaalsContact C-N 3.29Å; Q389-D391 PolarHBondContact O-N 3.11Å; Q389-H392 PolarHBondContact O-N 2.94Å; Q389-H392 PolarHBondContact OE1-CE1 2.95Å
390E85.8Confident90.4Very high163 Ų16335.2 Ų35.276%0.76217%0.172SC*.Hα-helixtrans-61.8-35.7-177.1-66.3-174.5171.600112.9H392 F393 T394E390-H392 PolarHBondContact O-N 3.19Å; E390-H392 VanDerWaalsContact O-N 3.16Å; E390-F393 WeakPolarHBondContact O-CB 3.4Å; E390-F393 PolarHBondContact O-N 3.27Å; E390-T394 PolarHBondContact O-N 3.33Å; E390-T394 VanDerWaalsContact O-N 3.13Å
391D88.4Confident90.3Very high69 Ų6940.3 Ų40.337%0.36920%0.2SC..Hα-helixtrans-60.2-28.5-177.9-70.9-29.6000113.5P36 L210 Q389 F393 T394 L395P36-D391 HydrophobicContact CB-CB 4.25Å; P36-D391 WeakPolarHBondContact CB-OD1 3.49Å; P36-D391 HydrophobicContact CG-CB 4.14Å; L210-D391 HydrophobicContact CD1-CB 3.56Å; Q389-D391 VanDerWaalsContact C-N 3.29Å; Q389-D391 PolarHBondContact O-N 3.11Å; D391-F393 VanDerWaalsContact C-N 3.32Å; D391-F393 PolarHBondContact O-N 3Å; D391-T394 WeakPolarHBondContact O-CB 3.21Å; D391-T394 PolarHBondContact O-N 3.07Å; D391-L395 PolarHBondContact O-N 3.34Å
392H87.6Confident90.3Very high3 Ų337.7 Ų37.71%0.01419%0.191CC..Hα-helixtrans-64-39.7173.8-65.1139.9000111.7T209 L210 F386 Q389 E390 T394 L395 L396T209-H392 PolarHBondContact N-NE2 3.47Å; T209-H392 PolarHBondContact OG1-CD2 3.02Å; T209-H392 PolarHBondContact OG1-NE2 3.12Å; T209-H392 VanDerWaalsContact OG1-NE2 3.09Å; L210-H392 PolarHBondContact N-NE2 2.96Å; L210-H392 VanDerWaalsContact N-NE2 3.11Å; F386-H392 WeakPolarHBondContact CA-ND1 3.4Å; F386-H392 HydrophobicContact CD2-CB 4.01Å; F386-H392 AromaticContact CD2-CG 3.79Å; F386-H392 AromaticContact CD2-ND1 3.84Å; F386-H392 HydrophobicContact CE2-CB 3.81Å; F386-H392 HydrophobicContact CZ-CB 4.33Å; F386-H392 PolarHBondContact O-ND1 2.86Å; Q389-H392 PolarHBondContact O-N 2.94Å; Q389-H392 PolarHBondContact OE1-CE1 2.95Å; E390-H392 PolarHBondContact O-N 3.19Å; E390-H392 VanDerWaalsContact O-N 3.16Å; H392-T394 VanDerWaalsContact C-N 3.35Å; H392-L395 PolarHBondContact O-N 2.94Å; H392-L396 WeakPolarHBondContact O-CB 3.48Å; H392-L396 WeakPolarHBondContact O-CG 3.09Å; H392-L396 PolarHBondContact O-N 3.4Å
393F83.3Confident90.5Very high54 Ų5438 Ų3824%0.23719%0.193CC..Hα-helixtrans-71.7-32.5176.3-62.2-64000111.8I265 F387 E390 D391 L396 G397I265-F393 HydrophobicContact CD1-CB 4.17Å; I265-F393 HydrophobicContact CD1-CD1 3.22Å; I265-F393 HydrophobicContact CD1-CE1 3.87Å; I265-F393 HydrophobicContact CD1-CG 4.02Å; I265-F393 HydrophobicContact CG2-CB 4.49Å; I265-F393 WeakPolarHBondContact CG2-O 3.47Å; F387-F393 HydrophobicContact CD1-CZ 4.11Å; E390-F393 WeakPolarHBondContact O-CB 3.4Å; E390-F393 PolarHBondContact O-N 3.27Å; D391-F393 VanDerWaalsContact C-N 3.32Å; D391-F393 PolarHBondContact O-N 3Å; F393-L396 HydrophobicContact CD1-CD1 4.02Å; F393-G397 PolarHBondContact O-N 3.49Å
394T86.7Confident90.6Very high34 Ų3438 Ų3821%0.20919%0.193CC..Hα-helixtrans-60.2-49.8170-59.60000111.1R33 K34 E390 D391 H392 G397 A398R33-T394 HydrophobicContact CB-CG2 4.27Å; K34-T394 WeakPolarHBondContact O-CG2 3.44Å; E390-T394 PolarHBondContact O-N 3.33Å; E390-T394 VanDerWaalsContact O-N 3.13Å; D391-T394 WeakPolarHBondContact O-CB 3.21Å; D391-T394 PolarHBondContact O-N 3.07Å; H392-T394 VanDerWaalsContact C-N 3.35Å; T394-G397 CarbonylContact O-C 3.55Å; T394-G397 PolarHBondContact O-N 2.79Å; T394-A398 WeakPolarHBondContact O-CB 3.23Å; T394-A398 PolarHBondContact O-N 3.12Å
395L89.2Confident90.7Very high3 Ų334.4 Ų34.42%0.01618%0.178CC..Hα-helixtrans-65.9-37.4177.9-73174.7000113.3I35 P36 L210 Q245 L246 D391 H392 G397 A398 K424I35-L395 HydrophobicContact CG2-CD2 4.32Å; P36-L395 HydrophobicContact CG-CD2 4.29Å; P36-L395 HydrophobicContact CG-CG 4.18Å; L210-L395 HydrophobicContact CB-CD1 4.43Å; L210-L395 HydrophobicContact CD1-CD1 3.8Å; L210-L395 HydrophobicContact CG-CD1 4.18Å; Q245-L395 HydrophobicContact CB-CD2 4.22Å; Q245-L395 PolarHBondContact NE2-O 2.66Å; Q245-L395 PolarHBondContact OE1-O 2.82Å; L246-L395 HydrophobicContact CD2-CD2 4.14Å; D391-L395 PolarHBondContact O-N 3.34Å; H392-L395 PolarHBondContact O-N 2.94Å; L395-G397 VanDerWaalsContact C-N 3.28Å; L395-G397 PolarHBondContact O-N 3Å; L395-A398 PolarHBondContact O-N 3.08Å; L395-K424 PolarHBondContact O-NZ 2.97Å
396L86.9Confident90.8Very high14 Ų1433.3 Ų33.37%0.07317%0.172CC..Hα-helixtrans-59.4-40.1171.9-80.9177.1000111.8L238 T260 F386 H392 F393 K424L238-L396 HydrophobicContact CD2-CD2 3.78Å; T260-L396 HydrophobicContact CG2-CD2 4.03Å; F386-L396 HydrophobicContact CE1-CD1 4.29Å; F386-L396 HydrophobicContact CZ-CD1 3.78Å; F386-L396 HydrophobicContact CZ-CG 4.3Å; H392-L396 WeakPolarHBondContact O-CB 3.48Å; H392-L396 WeakPolarHBondContact O-CG 3.09Å; H392-L396 PolarHBondContact O-N 3.4Å; F393-L396 HydrophobicContact CD1-CD1 4.02Å; L396-K424 PolarHBondContact O-NZ 3.43Å
397G83Confident91Very high7 Ų732.8 Ų32.87%0.07217%0.17CC..Hα-helixtrans-78.1-19.6176.200000114.7Y266 F393 T394 L395Y266-G397 WeakPolarHBondContact CD2-O 3.4Å; Y266-G397 WeakPolarHBondContact CE2-O 3.48Å; F393-G397 PolarHBondContact O-N 3.49Å; T394-G397 CarbonylContact O-C 3.55Å; T394-G397 PolarHBondContact O-N 2.79Å; L395-G397 VanDerWaalsContact C-N 3.28Å; L395-G397 PolarHBondContact O-N 3Å
398A86.7Confident91.2Very high0 Ų029.9 Ų29.90%016%0.161CC..SBendtrans-78.1149.4-179.200000112.5Q245 T394 L395 K424Q245-A398 PolarHBondContact NE2-O 2.85Å; T394-A398 WeakPolarHBondContact O-CB 3.23Å; T394-A398 PolarHBondContact O-N 3.12Å; L395-A398 PolarHBondContact O-N 3.08Å; A398-K424 PolarHBondContact O-NZ 3.29Å
399P90Very high91.6Very high16 Ų1626.3 Ų26.310%0.10414%0.139CC..  trans-69.8161.3174.931.8-37.4000111.9D32 Q245 K424 K426D32-P399 HydrophobicContact CB-CG 4.06Å; Q245-P399 PolarHBondContact NE2-O 3.16Å; P399-K424 WeakPolarHBondContact CA-O 3.4Å; P399-K426 HydrophobicContact CB-CG 3.95Å
400V93.5Very high91.9Very high0 Ų027.6 Ų27.60%015%0.15CC..BIsolated β-bridgetrans-119.5115.5171.6-176.90000107.4T241 A244 Q245 L254 K424 H425 K426T241-V400 HydrophobicContact CG2-CG2 3.6Å; A244-V400 HydrophobicContact CB-CG1 4.34Å; Q245-V400 HydrophobicContact CG-CB 4.5Å; Q245-V400 HydrophobicContact CG-CG2 3.81Å; L254-V400 HydrophobicContact CD2-CG1 3.95Å; V400-K424 HydrophobicContact CG2-CG 4.16Å; V400-K424 PolarHBondContact N-O 3.24Å; V400-H425 CarbonylContact O-C 3.36Å; V400-K426 PolarHBondContact O-N 2.87Å
401N95.4Very high92.3Very high108 Ų10822.3 Ų22.358%0.57813%0.126SC*.  trans-100-14.4-174.9-65.1-42.6000113.4R427N401-R427 WeakPolarHBondContact O-CB 3.39Å
402T96.7Very high92.5Very high7 Ų719.7 Ų19.74%0.04311%0.111CC..SBendtrans-60.7140173.5-56.50000110.8A244 V251 L254 T404A244-T402 HydrophobicContact CB-CG2 4.35Å; A244-T402 PolarHBondContact O-OG1 3.12Å; V251-T402 HydrophobicContact CB-CG2 4.16Å; V251-T402 HydrophobicContact CG1-CG2 3.84Å; V251-T402 WeakPolarHBondContact O-CG2 3.35Å; L254-T402 HydrophobicContact CB-CG2 4.25Å; T402-T404 PolarHBondContact O-N 3.34Å; T402-T404 VanDerWaalsContact O-N 3.09Å; T402-T404 PolarHBondContact O-OG1 2.88Å
403P97.9Very high92.5Very high11 Ų1121.4 Ų21.47%0.07112%0.122CC..  trans-50.3120.3171.9-22.329.9000110.7G253 L254 R427 V429 I460G253-P403 WeakPolarHBondContact CA-O 3.31Å; L254-P403 PolarHBondContact N-O 3.06Å; P403-R427 WeakPolarHBondContact CA-O 3.45Å; P403-V429 HydrophobicContact CB-CG1 4.16Å; P403-I460 HydrophobicContact CB-CD1 3.32Å; P403-I460 HydrophobicContact CB-CG1 4.44Å; P403-I460 HydrophobicContact CG-CD1 4.01Å
404T98.3Very high92.5Very high0 Ų021.5 Ų21.50%013%0.125CC..EExtended strand (participates in β ladder)trans-117.8135.5-174.5-56.30000111.1L254 T402 I406 H425 R427 L428 V429 R430L254-T404 HydrophobicContact CB-CG2 4.49Å; L254-T404 HydrophobicContact CD2-CG2 4.32Å; L254-T404 HydrophobicContact CG-CG2 4.4Å; L254-T404 CarbonylContact O-C 3.54Å; L254-T404 WeakPolarHBondContact O-CA 3.25Å; T402-T404 PolarHBondContact O-N 3.34Å; T402-T404 VanDerWaalsContact O-N 3.09Å; T402-T404 PolarHBondContact O-OG1 2.88Å; T404-I406 HydrophobicContact CG2-CD1 3.7Å; T404-I406 HydrophobicContact CG2-CG1 4.26Å; T404-H425 HydrophobicContact CG2-CB 4.25Å; T404-H425 WeakPolarHBondContact CG2-ND1 3.46Å; T404-H425 PolarHBondContact OG1-ND1 3.38Å; T404-R427 PolarHBondContact N-O 3.04Å; T404-L428 HydrophobicContact CG2-CD1 4.35Å; T404-L428 CarbonylContact O-C 3.58Å; T404-V429 WeakPolarHBondContact O-CG2 3.42Å; T404-V429 PolarHBondContact O-N 3.17Å; T404-R430 PolarHBondContact O-N 2.95Å
405A98.1Very high92.2Very high0 Ų022.2 Ų22.20%013%0.129CC..EExtended strand (participates in β ladder)trans-114.8141.9164.400000111.2L254 H255 L256 R430 F456L254-A405 PolarHBondContact O-N 3.07Å; H255-A405 WeakPolarHBondContact CA-O 3.26Å; L256-A405 PolarHBondContact N-O 2.9Å; A405-R430 WeakPolarHBondContact CA-O 3.36Å; A405-R430 HydrophobicContact CB-CB 3.9Å; A405-F456 HydrophobicContact CB-CB 3.83Å; A405-F456 HydrophobicContact CB-CD1 3.98Å; A405-F456 HydrophobicContact CB-CD2 3.34Å; A405-F456 HydrophobicContact CB-CE1 4.34Å; A405-F456 HydrophobicContact CB-CE2 3.74Å; A405-F456 HydrophobicContact CB-CG 3.44Å; A405-F456 VanDerWaalsContact CB-CG 3.44Å; A405-F456 HydrophobicContact CB-CZ 4.21Å
406I97.9Very high91.8Very high4 Ų423.9 Ų23.92%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-123121.6177.1-53.1-63.4000109.6L256 V259 T404 I421 L428 R430 Y431 T432L256-I406 HydrophobicContact CB-CD1 3.76Å; L256-I406 HydrophobicContact CD1-CD1 3.91Å; L256-I406 HydrophobicContact CG-CD1 4.13Å; L256-I406 CarbonylContact O-C 3.45Å; L256-I406 WeakPolarHBondContact O-CA 3.29Å; V259-I406 HydrophobicContact CG2-CD1 3.56Å; V259-I406 HydrophobicContact CG2-CG1 4.3Å; V259-I406 HydrophobicContact CG2-CG2 3.95Å; T404-I406 HydrophobicContact CG2-CD1 3.7Å; T404-I406 HydrophobicContact CG2-CG1 4.26Å; I406-I421 HydrophobicContact CD1-CG2 4.39Å; I406-I421 HydrophobicContact CG1-CG2 4Å; I406-L428 HydrophobicContact CB-CD1 4.49Å; I406-L428 HydrophobicContact CG1-CD1 3.6Å; I406-R430 PolarHBondContact N-O 3.12Å; I406-Y431 HydrophobicContact CB-CD2 3.84Å; I406-Y431 HydrophobicContact CB-CE2 4.27Å; I406-Y431 HydrophobicContact CG1-CD2 4.38Å; I406-Y431 HydrophobicContact CG2-CD2 4.05Å; I406-Y431 HydrophobicContact CG2-CE2 3.95Å; I406-Y431 WeakPolarHBondContact O-CA 3.49Å; I406-T432 PolarHBondContact O-N 3.32Å
407A97.6Very high91.5Very high0 Ų026.4 Ų26.40%015%0.153CC..EExtended strand (participates in β ladder)trans-94.197.816800000108.8L256 N257 F409 I434 L449L256-A407 PolarHBondContact O-N 2.84Å; N257-A407 VanDerWaalsContact CA-O 3.31Å; N257-A407 WeakPolarHBondContact CA-O 3.38Å; N257-A407 HydrophobicContact CB-CB 4.43Å; A407-F409 HydrophobicContact CB-CE2 4.27Å; A407-F409 PolarHBondContact O-N 3.05Å; A407-I434 HydrophobicContact CB-CD1 4.44Å; A407-I434 HydrophobicContact CB-CG1 4.25Å; A407-L449 HydrophobicContact CB-CD1 3.94Å
408A96.2Very high91.8Very high20 Ų2031.6 Ų31.617%0.16517%0.173CC..EExtended strand (participates in β ladder)trans-86.1100.6-177.300000110.5Y431 T432 I434A408-Y431 HydrophobicContact CB-CE1 4.05Å; A408-Y431 HydrophobicContact CB-CE2 4.24Å; A408-Y431 WeakPolarHBondContact CB-OH 3.35Å; A408-T432 PolarHBondContact N-O 3.22Å; A408-I434 PolarHBondContact O-N 3.35Å
409F96.3Very high91.5Very high4 Ų434.5 Ų34.52%0.01819%0.194CC..  trans-73.7141.1173.5-75.9-87.9000111.6N257 A407 H411 E412 I434 Q436 G438 E445 L449N257-F409 HydrophobicContact CB-CD2 3.93Å; N257-F409 HydrophobicContact CB-CE2 3.79Å; A407-F409 HydrophobicContact CB-CE2 4.27Å; A407-F409 PolarHBondContact O-N 3.05Å; F409-H411 VanDerWaalsContact C-N 3.29Å; F409-H411 PolarHBondContact O-N 2.99Å; F409-E412 PolarHBondContact O-N 2.94Å; F409-I434 HydrophobicContact CD1-CB 4.09Å; F409-I434 HydrophobicContact CD1-CG1 4.45Å; F409-I434 HydrophobicContact CD1-CG2 3.98Å; F409-I434 HydrophobicContact CE1-CB 4.18Å; F409-I434 HydrophobicContact CE1-CG1 4.3Å; F409-I434 HydrophobicContact CE1-CG2 3.73Å; F409-I434 HydrophobicContact CE2-CG1 4.4Å; F409-I434 HydrophobicContact CG-CB 4.47Å; F409-I434 HydrophobicContact CZ-CG1 4.28Å; F409-I434 HydrophobicContact CZ-CG2 4.39Å; F409-Q436 WeakPolarHBondContact CD1-O 3.45Å; F409-Q436 WeakPolarHBondContact CE1-O 3.48Å; F409-G438 VanDerWaalsContact CB-O 3.27Å; F409-G438 WeakPolarHBondContact CB-O 3Å; F409-G438 WeakPolarHBondContact CG-O 3.45Å; F409-E445 HydrophobicContact CE1-CB 3.92Å; F409-E445 HydrophobicContact CE1-CG 4.14Å; F409-E445 HydrophobicContact CZ-CB 4.47Å; F409-L449 HydrophobicContact CE2-CD1 4.01Å; F409-L449 HydrophobicContact CZ-CB 4.42Å; F409-L449 HydrophobicContact CZ-CD1 4.24Å
410P94.5Very high91.3Very high63 Ų6334.1 Ų34.141%0.40919%0.191SC..THydrogen-bonded Turntrans-68.4-28.3-171.125.1-33.3000113.1I434 G437P410-I434 WeakPolarHBondContact CD-O 3.26Å; P410-G437 WeakPolarHBondContact CD-O 3.22Å; P410-G437 WeakPolarHBondContact CG-O 3.45Å
411H94.2Very high91Very high52 Ų5234.3 Ų34.324%0.24119%0.192CC..THydrogen-bonded Turntrans-104.76.3-176.2-57.7-64.3000114.6T342 R343 F409 P413 G437T342-H411 WeakPolarHBondContact O-CB 3.33Å; R343-H411 HydrophobicContact CG-CB 4.23Å; R343-H411 VanDerWaalsContact CZ-CE1 3.48Å; R343-H411 PolarHBondContact NH1-CE1 3.37Å; R343-H411 VanDerWaalsContact NH1-CE1 3.3Å; R343-H411 PolarHBondContact NH1-NE2 3.28Å; F409-H411 VanDerWaalsContact C-N 3.29Å; F409-H411 PolarHBondContact O-N 2.99Å; H411-P413 WeakPolarHBondContact O-CD 3.28Å; H411-G437 PolarHBondContact CD2-O 3.15Å; H411-G437 PolarHBondContact N-O 3.28Å
412E93.5Very high90.8Very high14 Ų1431 Ų317%0.06518%0.179CC..  trans-51.6123.8173.916950.8-127.800110.7T258 F409 L414 T415 H439T258-E412 WeakPolarHBondContact CG2-OE2 3.44Å; F409-E412 PolarHBondContact O-N 2.94Å; E412-L414 PolarHBondContact O-N 3.31Å; E412-L414 PolarHBondContact OE1-N 2.83Å; E412-T415 HydrophobicContact CB-CG2 3.89Å; E412-T415 HydrophobicContact CG-CG2 4.01Å; E412-T415 VanDerWaalsContact O-CG2 3.26Å; E412-T415 WeakPolarHBondContact O-CG2 3.46Å; E412-H439 IonicContact OE1-ND1 2.85Å; E412-H439 PolarHBondContact OE1-ND1 3.3Å; E412-H439 WeakPolarHBondContact OE2-CA 3.47Å; E412-H439 IonicContact OE2-CE1 3.71Å; E412-H439 IonicContact OE2-CG 3.16Å; E412-H439 IonicContact OE2-ND1 3.89Å; E412-H439 PolarHBondContact OE2-ND1 3.04Å
413P86.6Confident90.2Very high38 Ų3833.3 Ų33.325%0.24719%0.189CC..SBendtrans-52.9-41.2-178.8-31.534.5000113.9R301 W341 H411R301-P413 PolarHBondContact NH2-O 3.45Å; W341-P413 HydrophobicContact CB-CG 3.74Å; W341-P413 HydrophobicContact CD2-CG 4.38Å; W341-P413 HydrophobicContact CG-CG 3.62Å; H411-P413 WeakPolarHBondContact O-CD 3.28Å
414L83.2Confident89.8Confident57 Ų5733 Ų3330%0.29819%0.187SC..SBendtrans-115.493.2-174.1-159.373.6000110.5E412 Y416E412-L414 PolarHBondContact O-N 3.31Å; E412-L414 PolarHBondContact OE1-N 2.83Å; L414-Y416 HydrophobicContact CD2-CE2 3.89Å; L414-Y416 WeakPolarHBondContact CD2-OH 3.42Å; L414-Y416 HydrophobicContact CG-CE2 3.68Å; L414-Y416 WeakPolarHBondContact CG-OH 3.45Å
415T80.1Confident89.5Confident48 Ų4833.1 Ų33.129%0.29419%0.187SC..  trans-111.9149.2173.993.30000112.1R298 E412R298-T415 VanDerWaalsContact CZ-OG1 3.28Å; R298-T415 PolarHBondContact NH1-OG1 3.46Å; R298-T415 VanDerWaalsContact NH1-OG1 3.16Å; R298-T415 PolarHBondContact NH2-OG1 2.97Å; E412-T415 HydrophobicContact CB-CG2 3.89Å; E412-T415 HydrophobicContact CG-CG2 4.01Å; E412-T415 VanDerWaalsContact O-CG2 3.26Å; E412-T415 WeakPolarHBondContact O-CG2 3.46Å
416Y80.9Confident89.2Confident39 Ų3937 Ų3715%0.15320%0.204CC..  trans-125.7150.5-179.4-60.9-88.1000109.6V259 L261 L414 K418V259-Y416 WeakPolarHBondContact O-CE2 3.37Å; L261-Y416 HydrophobicContact CB-CD1 3.86Å; L261-Y416 HydrophobicContact CB-CD2 4.37Å; L261-Y416 HydrophobicContact CB-CE1 3.68Å; L261-Y416 HydrophobicContact CB-CE2 4.25Å; L261-Y416 HydrophobicContact CB-CG 4.18Å; L261-Y416 HydrophobicContact CD1-CD1 3.98Å; L261-Y416 HydrophobicContact CD1-CD2 4.29Å; L261-Y416 HydrophobicContact CD1-CG 3.75Å; L261-Y416 HydrophobicContact CG-CD1 4.28Å; L261-Y416 HydrophobicContact CG-CD2 4.23Å; L261-Y416 HydrophobicContact CG-CE1 4.49Å; L261-Y416 HydrophobicContact CG-CE2 4.49Å; L261-Y416 HydrophobicContact CG-CG 4.12Å; L261-Y416 PolarHBondContact N-OH 2.79Å; L261-Y416 WeakPolarHBondContact O-CE1 3.24Å; L261-Y416 VanDerWaalsContact O-CZ 3.24Å; L261-Y416 PolarHBondContact O-OH 3.16Å; L414-Y416 HydrophobicContact CD2-CE2 3.89Å; L414-Y416 WeakPolarHBondContact CD2-OH 3.42Å; L414-Y416 HydrophobicContact CG-CE2 3.68Å; L414-Y416 WeakPolarHBondContact CG-OH 3.45Å; Y416-K418 PolarHBondContact O-N 3.45Å
417P81.7Confident89.1Confident67 Ų6742.6 Ų42.644%0.43523%0.225SC..  trans-55.5139.4171.5-23.433.3000110.9S419 F420 I421P417-S419 PolarHBondContact O-N 3.31Å; P417-S419 VanDerWaalsContact O-N 3.07Å; P417-F420 HydrophobicContact CB-CD1 3.9Å; P417-F420 HydrophobicContact CB-CE1 4.47Å; P417-F420 HydrophobicContact CB-CG 4.32Å; P417-F420 HydrophobicContact CG-CD1 4.03Å; P417-F420 HydrophobicContact CG-CE1 4.29Å; P417-F420 HydrophobicContact CG-CG 4.26Å; P417-F420 WeakPolarHBondContact O-CA 3.41Å; P417-F420 WeakPolarHBondContact O-CB 3.12Å; P417-F420 PolarHBondContact O-N 2.99Å; P417-I421 PolarHBondContact O-N 3.46Å
418K87.5Confident89.1Confident115 Ų11544.4 Ų44.450%0.524%0.235SC..Hα-helixtrans-50.4-37.3175.7179178.2173.8175.20112.5Y416 F420 I421 A422 L428 Y431Y416-K418 PolarHBondContact O-N 3.45Å; K418-F420 PolarHBondContact O-N 3.41Å; K418-I421 PolarHBondContact O-N 2.91Å; K418-A422 WeakPolarHBondContact O-CB 3.44Å; K418-A422 PolarHBondContact O-N 3Å; K418-L428 HydrophobicContact CG-CD2 4.26Å; K418-Y431 HydrophobicContact CB-CD1 4.48Å; K418-Y431 HydrophobicContact CB-CD2 4.3Å; K418-Y431 HydrophobicContact CB-CE1 4.33Å; K418-Y431 HydrophobicContact CB-CE2 4.16Å; K418-Y431 HydrophobicContact CB-CG 4.46Å; K418-Y431 HydrophobicContact CD-CD1 3.82Å; K418-Y431 HydrophobicContact CD-CD2 4.31Å; K418-Y431 HydrophobicContact CD-CE1 4.41Å; K418-Y431 HydrophobicContact CD-CG 3.75Å; K418-Y431 HydrophobicContact CG-CD1 4.26Å; K418-Y431 HydrophobicContact CG-CD2 3.94Å; K418-Y431 HydrophobicContact CG-CE2 4.31Å; K418-Y431 HydrophobicContact CG-CG 3.91Å
419S82.3Confident89.1Confident61 Ų6145.9 Ų45.943%0.42724%0.242SC..Hα-helixtrans-68.1-18.2178.765.30000114.3K272 P417 Q423K272-S419 PolarHBondContact NZ-O 3.31Å; P417-S419 PolarHBondContact O-N 3.31Å; P417-S419 VanDerWaalsContact O-N 3.07Å; S419-Q423 VanDerWaalsContact O-CG 3.32Å; S419-Q423 WeakPolarHBondContact O-CG 3.4Å
420F84.2Confident89.1Confident9 Ų948.8 Ų48.84%0.03925%0.253CS..Hα-helixtrans-86.5-43.4173.9-76.439.8000109.3L261 L269 K272 P417 K418 A422 Q423 K424L261-F420 HydrophobicContact CD1-CB 3.85Å; L269-F420 HydrophobicContact CB-CD2 4.19Å; L269-F420 HydrophobicContact CB-CE2 4.3Å; L269-F420 HydrophobicContact CD1-CB 4.43Å; L269-F420 HydrophobicContact CD1-CD2 4.18Å; L269-F420 HydrophobicContact CD2-CB 3.7Å; L269-F420 HydrophobicContact CD2-CD1 4.34Å; L269-F420 HydrophobicContact CD2-CD2 3.75Å; L269-F420 HydrophobicContact CD2-CE2 4.43Å; L269-F420 HydrophobicContact CD2-CG 3.68Å; L269-F420 HydrophobicContact CG-CD2 4.25Å; K272-F420 HydrophobicContact CB-CE1 3.77Å; K272-F420 HydrophobicContact CB-CZ 3.72Å; K272-F420 HydrophobicContact CD-CD1 4.26Å; K272-F420 HydrophobicContact CD-CE1 3.97Å; P417-F420 HydrophobicContact CB-CD1 3.9Å; P417-F420 HydrophobicContact CB-CE1 4.47Å; P417-F420 HydrophobicContact CB-CG 4.32Å; P417-F420 HydrophobicContact CG-CD1 4.03Å; P417-F420 HydrophobicContact CG-CE1 4.29Å; P417-F420 HydrophobicContact CG-CG 4.26Å; P417-F420 WeakPolarHBondContact O-CA 3.41Å; P417-F420 WeakPolarHBondContact O-CB 3.12Å; P417-F420 PolarHBondContact O-N 2.99Å; K418-F420 PolarHBondContact O-N 3.41Å; F420-A422 VanDerWaalsContact C-N 3.34Å; F420-A422 PolarHBondContact O-N 3.29Å; F420-Q423 WeakPolarHBondContact O-CB 3.4Å; F420-Q423 PolarHBondContact O-N 3.39Å; F420-K424 PolarHBondContact O-N 3.09Å
421I88.8Confident89.2Confident4 Ų448 Ų482%0.02124%0.241CC..Hα-helixtrans-58.6-46.7175.1-62.7170.4000110.6V259 L261 I406 P417 K418 Q423 K424 H425 L428 Y431V259-I421 HydrophobicContact CG1-CG1 4.21Å; V259-I421 HydrophobicContact CG1-CG2 4.48Å; V259-I421 HydrophobicContact CG2-CD1 4.29Å; L261-I421 HydrophobicContact CD1-CG1 3.99Å; I406-I421 HydrophobicContact CD1-CG2 4.39Å; I406-I421 HydrophobicContact CG1-CG2 4Å; P417-I421 PolarHBondContact O-N 3.46Å; K418-I421 PolarHBondContact O-N 2.91Å; I421-Q423 PolarHBondContact O-N 2.79Å; I421-Q423 VanDerWaalsContact O-N 3.15Å; I421-K424 PolarHBondContact O-N 3.27Å; I421-H425 PolarHBondContact O-N 3.28Å; I421-L428 HydrophobicContact CG2-CD1 4.48Å; I421-L428 HydrophobicContact CG2-CD2 4.38Å; I421-Y431 HydrophobicContact CD1-CE2 3.7Å
422A90Very high89.4Confident38 Ų3846.6 Ų46.631%0.31424%0.237SC..Hα-helixtrans-63.8-17.2177.600000114K418 F420 L428K418-A422 WeakPolarHBondContact O-CB 3.44Å; K418-A422 PolarHBondContact O-N 3Å; F420-A422 VanDerWaalsContact C-N 3.34Å; F420-A422 PolarHBondContact O-N 3.29Å; A422-L428 HydrophobicContact CB-CD2 4.01Å
423Q85Confident89.5Confident55 Ų5553.4 Ų53.426%0.25727%0.269SS..Hα-helixtrans-76.8-37.1172.6-71.8-70.6-31.800111.7Y266 L269 S419 F420 I421 K426Y266-Q423 HydrophobicContact CE1-CB 4.23Å; Y266-Q423 PolarHBondContact OH-O 3.49Å; L269-Q423 HydrophobicContact CD2-CB 3.9Å; L269-Q423 HydrophobicContact CD2-CG 4.15Å; S419-Q423 VanDerWaalsContact O-CG 3.32Å; S419-Q423 WeakPolarHBondContact O-CG 3.4Å; F420-Q423 WeakPolarHBondContact O-CB 3.4Å; F420-Q423 PolarHBondContact O-N 3.39Å; I421-Q423 PolarHBondContact O-N 2.79Å; I421-Q423 VanDerWaalsContact O-N 3.15Å; Q423-K426 WeakPolarHBondContact O-CD 3.42Å; Q423-K426 WeakPolarHBondContact O-CE 3.49Å; Q423-K426 PolarHBondContact O-NZ 2.81Å
424K87.9Confident90Very high5 Ų552.3 Ų52.32%0.02226%0.261CS..Hα-helixtrans-79.4-50.6174.5-177176.3176.865.40111L261 Y266 L395 L396 A398 P399 V400 F420 I421 K426L261-K424 HydrophobicContact CD2-CB 3.74Å; L261-K424 HydrophobicContact CD2-CD 3.45Å; L261-K424 VanDerWaalsContact CD2-CD 3.45Å; L261-K424 HydrophobicContact CD2-CG 4.21Å; Y266-K424 HydrophobicContact CE2-CB 4.35Å; Y266-K424 HydrophobicContact CE2-CG 4.43Å; L395-K424 PolarHBondContact O-NZ 2.97Å; L396-K424 PolarHBondContact O-NZ 3.43Å; A398-K424 PolarHBondContact O-NZ 3.29Å; P399-K424 WeakPolarHBondContact CA-O 3.4Å; V400-K424 HydrophobicContact CG2-CG 4.16Å; V400-K424 PolarHBondContact N-O 3.24Å; F420-K424 PolarHBondContact O-N 3.09Å; I421-K424 PolarHBondContact O-N 3.27Å; K424-K426 PolarHBondContact O-N 3.33Å
425H93.3Very high90.6Very high2 Ų256.2 Ų56.21%0.00928%0.277CS..BIsolated β-bridgetrans-88.886.3179.6-61.6-90.4000109.8V400 T404 I421 R427 L428V400-H425 CarbonylContact O-C 3.36Å; T404-H425 HydrophobicContact CG2-CB 4.25Å; T404-H425 WeakPolarHBondContact CG2-ND1 3.46Å; T404-H425 PolarHBondContact OG1-ND1 3.38Å; I421-H425 PolarHBondContact O-N 3.28Å; H425-R427 PolarHBondContact O-N 2.85Å; H425-L428 HydrophobicContact CB-CB 4.44Å; H425-L428 WeakPolarHBondContact O-CB 3.46Å; H425-L428 PolarHBondContact O-N 2.98Å
426K92.3Very high91.3Very high82 Ų8257.9 Ų57.936%0.35728%0.282SS..THydrogen-bonded Turntrans-61.7-30.8-172.5-59.1-59.6-172.4-172.60112.5Y266 P399 V400 Q423 K424Y266-K426 PolarHBondContact OH-NZ 2.93Å; P399-K426 HydrophobicContact CB-CG 3.95Å; V400-K426 PolarHBondContact O-N 2.87Å; Q423-K426 WeakPolarHBondContact O-CD 3.42Å; Q423-K426 WeakPolarHBondContact O-CE 3.49Å; Q423-K426 PolarHBondContact O-NZ 2.81Å; K424-K426 PolarHBondContact O-N 3.33Å
427R95.8Very high92Very high121 Ų12156.3 Ų56.346%0.45728%0.277SS..THydrogen-bonded Turntrans-108.854.5175.4-161.4175.7171.3-169.1-5.9111.2N401 P403 T404 H425 V429N401-R427 WeakPolarHBondContact O-CB 3.39Å; P403-R427 WeakPolarHBondContact CA-O 3.45Å; T404-R427 PolarHBondContact N-O 3.04Å; H425-R427 PolarHBondContact O-N 2.85Å; R427-V429 HydrophobicContact CG-CG1 4.13Å; R427-V429 PolarHBondContact O-N 2.91Å; R427-V429 VanDerWaalsContact O-N 3.11Å
428L96.6Very high92.7Very high38 Ų3853.1 Ų53.120%0.19926%0.257CS..EExtended strand (participates in β ladder)trans-70.898.7171.9-177.967.7000109.8T404 I406 K418 I421 A422 H425 R430 Y431T404-L428 HydrophobicContact CG2-CD1 4.35Å; T404-L428 CarbonylContact O-C 3.58Å; I406-L428 HydrophobicContact CB-CD1 4.49Å; I406-L428 HydrophobicContact CG1-CD1 3.6Å; K418-L428 HydrophobicContact CG-CD2 4.26Å; I421-L428 HydrophobicContact CG2-CD1 4.48Å; I421-L428 HydrophobicContact CG2-CD2 4.38Å; A422-L428 HydrophobicContact CB-CD2 4.01Å; H425-L428 HydrophobicContact CB-CB 4.44Å; H425-L428 WeakPolarHBondContact O-CB 3.46Å; H425-L428 PolarHBondContact O-N 2.98Å; L428-R430 WeakPolarHBondContact CD1-O 3.27Å; L428-Y431 HydrophobicContact CD2-CD2 4.48Å
429V96.9Very high93.2Very high52 Ų5248.2 Ų48.232%0.31524%0.235SC..EExtended strand (participates in β ladder)trans-86.7-25.8-176.4-61.10000112.8P403 T404 R427 F456 V459 I460P403-V429 HydrophobicContact CB-CG1 4.16Å; T404-V429 WeakPolarHBondContact O-CG2 3.42Å; T404-V429 PolarHBondContact O-N 3.17Å; R427-V429 HydrophobicContact CG-CG1 4.13Å; R427-V429 PolarHBondContact O-N 2.91Å; R427-V429 VanDerWaalsContact O-N 3.11Å; V429-F456 HydrophobicContact CG2-CD2 3.83Å; V429-F456 HydrophobicContact CG2-CE2 3.53Å; V429-V459 HydrophobicContact CB-CG1 4.21Å; V429-V459 HydrophobicContact CG2-CG1 4.34Å; V429-I460 HydrophobicContact CG2-CD1 4.1Å
430R96.6Very high94Very high65 Ų6545.3 Ų45.325%0.24522%0.215CC..EExtended strand (participates in β ladder)trans-145.7137.5-178.9-171.1171.4172.370.312.7110.6T404 A405 I406 L428 T432 D452T404-R430 PolarHBondContact O-N 2.95Å; A405-R430 WeakPolarHBondContact CA-O 3.36Å; A405-R430 HydrophobicContact CB-CB 3.9Å; I406-R430 PolarHBondContact N-O 3.12Å; L428-R430 WeakPolarHBondContact CD1-O 3.27Å; R430-T432 VanDerWaalsContact CZ-OG1 3.23Å; R430-T432 PolarHBondContact NE-OG1 3.42Å; R430-T432 VanDerWaalsContact NE-OG1 3.1Å; R430-T432 PolarHBondContact NH2-OG1 3.18Å; R430-D452 IonicContact CZ-OD1 2.83Å; R430-D452 VanDerWaalsContact CZ-OD1 3.29Å; R430-D452 IonicContact NE-OD1 3.99Å; R430-D452 PolarHBondContact NE-OD1 3.21Å; R430-D452 IonicContact NH2-OD1 3.49Å; R430-D452 PolarHBondContact NH2-OD1 3.31Å
431Y97Very high94.6Very high45 Ų4544.9 Ų44.918%0.17621%0.213CC..EExtended strand (participates in β ladder)trans-137.6111.8170.8-176.4-82.5000106.6I406 A408 K418 I421 L428 E433I406-Y431 HydrophobicContact CB-CD2 3.84Å; I406-Y431 HydrophobicContact CB-CE2 4.27Å; I406-Y431 HydrophobicContact CG1-CD2 4.38Å; I406-Y431 HydrophobicContact CG2-CD2 4.05Å; I406-Y431 HydrophobicContact CG2-CE2 3.95Å; I406-Y431 WeakPolarHBondContact O-CA 3.49Å; A408-Y431 HydrophobicContact CB-CE1 4.05Å; A408-Y431 HydrophobicContact CB-CE2 4.24Å; A408-Y431 WeakPolarHBondContact CB-OH 3.35Å; K418-Y431 HydrophobicContact CB-CD1 4.48Å; K418-Y431 HydrophobicContact CB-CD2 4.3Å; K418-Y431 HydrophobicContact CB-CE1 4.33Å; K418-Y431 HydrophobicContact CB-CE2 4.16Å; K418-Y431 HydrophobicContact CB-CG 4.46Å; K418-Y431 HydrophobicContact CD-CD1 3.82Å; K418-Y431 HydrophobicContact CD-CD2 4.31Å; K418-Y431 HydrophobicContact CD-CE1 4.41Å; K418-Y431 HydrophobicContact CD-CG 3.75Å; K418-Y431 HydrophobicContact CG-CD1 4.26Å; K418-Y431 HydrophobicContact CG-CD2 3.94Å; K418-Y431 HydrophobicContact CG-CE2 4.31Å; K418-Y431 HydrophobicContact CG-CG 3.91Å; I421-Y431 HydrophobicContact CD1-CE2 3.7Å; L428-Y431 HydrophobicContact CD2-CD2 4.48Å; Y431-E433 HydrophobicContact CD1-CG 4.34Å; Y431-E433 HydrophobicContact CE1-CG 3.79Å
432T97Very high95Very high23 Ų2344.7 Ų44.714%0.14121%0.212CC..EExtended strand (participates in β ladder)trans-113.5120.2-173.8-53.20000108.8I406 A408 R430 I434 D452I406-T432 PolarHBondContact O-N 3.32Å; A408-T432 PolarHBondContact N-O 3.22Å; R430-T432 VanDerWaalsContact CZ-OG1 3.23Å; R430-T432 PolarHBondContact NE-OG1 3.42Å; R430-T432 VanDerWaalsContact NE-OG1 3.1Å; R430-T432 PolarHBondContact NH2-OG1 3.18Å; T432-I434 HydrophobicContact CG2-CD1 3.75Å; T432-I434 PolarHBondContact O-N 3.07Å; T432-D452 VanDerWaalsContact CB-OD1 3.24Å; T432-D452 WeakPolarHBondContact CB-OD1 3.27Å; T432-D452 WeakPolarHBondContact CG2-OD1 3.43Å; T432-D452 PolarHBondContact OG1-OD1 2.83Å
433E96Very high95.4Very high157 Ų15743 Ų4373%0.73420%0.198SC*.EExtended strand (participates in β ladder)trans-81.1110.1168.2-64.4-179.3162.700108Y431Y431-E433 HydrophobicContact CD1-CG 4.34Å; Y431-E433 HydrophobicContact CE1-CG 3.79Å
434I96.4Very high96Very high16 Ų1641.1 Ų41.18%0.08219%0.189CC..  trans-78.5145.5175-50.7-64.1000107.8A407 A408 F409 P410 T432 Q436 L448A407-I434 HydrophobicContact CB-CD1 4.44Å; A407-I434 HydrophobicContact CB-CG1 4.25Å; A408-I434 PolarHBondContact O-N 3.35Å; F409-I434 HydrophobicContact CD1-CB 4.09Å; F409-I434 HydrophobicContact CD1-CG1 4.45Å; F409-I434 HydrophobicContact CD1-CG2 3.98Å; F409-I434 HydrophobicContact CE1-CB 4.18Å; F409-I434 HydrophobicContact CE1-CG1 4.3Å; F409-I434 HydrophobicContact CE1-CG2 3.73Å; F409-I434 HydrophobicContact CE2-CG1 4.4Å; F409-I434 HydrophobicContact CG-CB 4.47Å; F409-I434 HydrophobicContact CZ-CG1 4.28Å; F409-I434 HydrophobicContact CZ-CG2 4.39Å; P410-I434 WeakPolarHBondContact CD-O 3.26Å; T432-I434 HydrophobicContact CG2-CD1 3.75Å; T432-I434 PolarHBondContact O-N 3.07Å; I434-Q436 VanDerWaalsContact CG2-O 3.32Å; I434-Q436 WeakPolarHBondContact CG2-O 3.43Å; I434-L448 HydrophobicContact CG2-CB 4.16Å; I434-L448 HydrophobicContact CG2-CD1 3.74Å
435H95.8Very high96.4Very high139 Ų13942 Ų4264%0.64419%0.193SC*.SBendtrans-88.2-14.3-17355.2-86.4000114.1
436Q95.4Very high96.5Very high83 Ų8342.2 Ų42.239%0.38820%0.195SC..SBendtrans-149.2165.9179.363.2-17446.700111.2F409 I434 E445 L448F409-Q436 WeakPolarHBondContact CD1-O 3.45Å; F409-Q436 WeakPolarHBondContact CE1-O 3.48Å; I434-Q436 VanDerWaalsContact CG2-O 3.32Å; I434-Q436 WeakPolarHBondContact CG2-O 3.43Å; Q436-E445 HydrophobicContact CG-CG 4.18Å; Q436-E445 WeakPolarHBondContact CG-OE1 3.5Å; Q436-E445 PolarHBondContact NE2-OE1 2.84Å; Q436-E445 PolarHBondContact NE2-OE2 3.45Å; Q436-L448 HydrophobicContact CG-CD1 3.45Å; Q436-L448 VanDerWaalsContact CG-CD1 3.45Å
437G96.6Very high96.7Very high6 Ų643.5 Ų43.56%0.06220%0.202CC..  trans92.1167.7-177.700000114.7P410 H411 E444P410-G437 WeakPolarHBondContact CD-O 3.22Å; P410-G437 WeakPolarHBondContact CG-O 3.45Å; H411-G437 PolarHBondContact CD2-O 3.15Å; H411-G437 PolarHBondContact N-O 3.28Å; G437-E444 WeakPolarHBondContact CA-OE2 3.27Å
438G96.3Very high96.6Very high0 Ų039.8 Ų39.80%019%0.191CC..  trans-128.1-133.1-179.500000112.2F409 E444F409-G438 VanDerWaalsContact CB-O 3.27Å; F409-G438 WeakPolarHBondContact CB-O 3Å; F409-G438 WeakPolarHBondContact CG-O 3.45Å; G438-E444 PolarHBondContact N-OE2 2.92Å
439H97.4Very high96.6Very high11 Ų1138 Ų385%0.05118%0.181CC..SBendtrans-70.3-38.3-170.3-171.675.5000114.1Q234 N257 W341 E412 G441 E444Q234-H439 WeakPolarHBondContact CB-NE2 3.21Å; N257-H439 PolarHBondContact ND2-O 2.93Å; W341-H439 HydrophobicContact CB-CB 3.63Å; W341-H439 AromaticContact CE3-CD2 3.39Å; W341-H439 AromaticContact CE3-CG 3.93Å; W341-H439 AromaticContact CE3-NE2 3.61Å; W341-H439 AromaticContact CZ3-CD2 3.92Å; W341-H439 AromaticContact CZ3-NE2 3.68Å; W341-H439 WeakPolarHBondContact O-CB 3.23Å; W341-H439 PolarHBondContact O-N 3.45Å; E412-H439 IonicContact OE1-ND1 2.85Å; E412-H439 PolarHBondContact OE1-ND1 3.3Å; E412-H439 WeakPolarHBondContact OE2-CA 3.47Å; E412-H439 IonicContact OE2-CE1 3.71Å; E412-H439 IonicContact OE2-CG 3.16Å; E412-H439 IonicContact OE2-ND1 3.89Å; E412-H439 PolarHBondContact OE2-ND1 3.04Å; H439-G441 PolarHBondContact O-N 2.86Å; H439-G441 VanDerWaalsContact O-N 3.12Å; H439-E444 PolarHBondContact N-OE1 2.98Å
440F98Very high96.6Very high0 Ų035.5 Ų35.50%017%0.166CC..  trans-91.847.2-174.5-52.6-81.9000110.8Y338 W341 F358 A442 L443 E444Y338-F440 HydrophobicContact CD1-CD2 4.05Å; Y338-F440 HydrophobicContact CD1-CE1 4.48Å; Y338-F440 AromaticContact CD1-CE2 3.96Å; Y338-F440 HydrophobicContact CD1-CE2 3.96Å; Y338-F440 HydrophobicContact CD1-CG 4.36Å; Y338-F440 HydrophobicContact CD1-CZ 4.16Å; Y338-F440 HydrophobicContact CD2-CE1 4.47Å; Y338-F440 HydrophobicContact CD2-CE2 4.38Å; Y338-F440 AromaticContact CD2-CZ 3.98Å; Y338-F440 HydrophobicContact CD2-CZ 3.98Å; Y338-F440 AromaticContact CE1-CD1 3.91Å; Y338-F440 HydrophobicContact CE1-CD1 3.91Å; Y338-F440 HydrophobicContact CE1-CD2 4.14Å; Y338-F440 AromaticContact CE1-CE1 3.94Å; Y338-F440 HydrophobicContact CE1-CE1 3.94Å; Y338-F440 HydrophobicContact CE1-CE2 4.2Å; Y338-F440 AromaticContact CE1-CG 3.99Å; Y338-F440 HydrophobicContact CE1-CG 3.99Å; Y338-F440 HydrophobicContact CE1-CZ 4.09Å; Y338-F440 AromaticContact CE2-CE1 3.94Å; Y338-F440 HydrophobicContact CE2-CE1 3.94Å; Y338-F440 AromaticContact CE2-CZ 3.91Å; Y338-F440 HydrophobicContact CE2-CZ 3.91Å; Y338-F440 HydrophobicContact CG-CE2 4.04Å; Y338-F440 HydrophobicContact CG-CZ 4.1Å; Y338-F440 AromaticContact CZ-CD1 3.94Å; Y338-F440 AromaticContact CZ-CE1 3.63Å; Y338-F440 AromaticContact CZ-CZ 3.94Å; W341-F440 HydrophobicContact CB-CE2 4.04Å; W341-F440 HydrophobicContact CE3-CE2 4.35Å; W341-F440 AromaticContact CE3-CZ 3.83Å; W341-F440 HydrophobicContact CE3-CZ 3.83Å; W341-F440 HydrophobicContact CZ3-CZ 4.5Å; F358-F440 HydrophobicContact CZ-CB 4.47Å; F358-F440 HydrophobicContact CZ-CD2 4.36Å; F440-A442 PolarHBondContact O-N 2.89Å; F440-L443 HydrophobicContact CB-CB 4.41Å; F440-L443 PolarHBondContact O-N 3.25Å; F440-E444 WeakPolarHBondContact CA-OE1 3.4Å; F440-E444 HydrophobicContact CB-CG 4.14Å; F440-E444 WeakPolarHBondContact CB-OE1 3.46Å; F440-E444 PolarHBondContact N-OE1 3.15Å; F440-E444 PolarHBondContact O-N 3.44Å
441G97.2Very high96.4Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-53-30-16800000115.7H439 E445H439-G441 PolarHBondContact O-N 2.86Å; H439-G441 VanDerWaalsContact O-N 3.12Å; G441-E445 CarbonylContact O-C 3.49Å; G441-E445 WeakPolarHBondContact O-CA 3.38Å; G441-E445 PolarHBondContact O-N 3.37Å
442A97.8Very high96.3Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-74.8-26.3176.300000113.8E162 F163 I166 F440 P446 L449E162-A442 HydrophobicContact CG-CB 4.29Å; E162-A442 CarbonylContact O-C 3.35Å; F163-A442 HydrophobicContact CD1-CB 3.62Å; F163-A442 HydrophobicContact CE1-CB 3.92Å; I166-A442 HydrophobicContact CG2-CB 4.28Å; F440-A442 PolarHBondContact O-N 2.89Å; A442-P446 WeakPolarHBondContact O-CB 3.45Å; A442-L449 HydrophobicContact CB-CD2 3.64Å
443L97.7Very high96.2Very high2 Ų230.7 Ų30.71%0.0115%0.152CC..Hα-helixtrans-93.5-36.9178.1-171.764.8000112E162 K165 Y338 F358 F440E162-L443 HydrophobicContact CG-CB 4.17Å; E162-L443 PolarHBondContact O-N 3.39Å; K165-L443 HydrophobicContact CD-CD1 4.06Å; K165-L443 HydrophobicContact CG-CD1 4.35Å; K165-L443 PolarHBondContact NZ-O 2.76Å; Y338-L443 HydrophobicContact CE1-CD2 4.07Å; F358-L443 HydrophobicContact CD1-CD2 3.86Å; F358-L443 HydrophobicContact CD1-CG 4.03Å; F358-L443 HydrophobicContact CE1-CB 4.3Å; F358-L443 HydrophobicContact CE1-CD2 3.74Å; F358-L443 HydrophobicContact CE1-CG 3.86Å; F440-L443 HydrophobicContact CB-CB 4.41Å; F440-L443 PolarHBondContact O-N 3.25Å
444E97.7Very high96.1Very high16 Ų1623.2 Ų23.28%0.07512%0.117CC..Hα-helixtrans-74-50.1177.7-67.1175.9-121.600111.6T342 F358 G437 G438 H439 F440 P446T342-E444 WeakPolarHBondContact CG2-OE2 3.26Å; F358-E444 HydrophobicContact CE1-CG 3.64Å; F358-E444 HydrophobicContact CZ-CG 3.44Å; F358-E444 VanDerWaalsContact CZ-CG 3.44Å; G437-E444 WeakPolarHBondContact CA-OE2 3.27Å; G438-E444 PolarHBondContact N-OE2 2.92Å; H439-E444 PolarHBondContact N-OE1 2.98Å; F440-E444 WeakPolarHBondContact CA-OE1 3.4Å; F440-E444 HydrophobicContact CB-CG 4.14Å; F440-E444 WeakPolarHBondContact CB-OE1 3.46Å; F440-E444 PolarHBondContact N-OE1 3.15Å; F440-E444 PolarHBondContact O-N 3.44Å; E444-P446 VanDerWaalsContact C-CD 3.47Å
445E97.1Very high95.9Very high24 Ų2427.5 Ų27.511%0.11214%0.135CC..  trans-134.555.7-167.7-59-60.9171.400112.4F409 Q436 G441 Q447 L448 L449F409-E445 HydrophobicContact CE1-CB 3.92Å; F409-E445 HydrophobicContact CE1-CG 4.14Å; F409-E445 HydrophobicContact CZ-CB 4.47Å; Q436-E445 HydrophobicContact CG-CG 4.18Å; Q436-E445 WeakPolarHBondContact CG-OE1 3.5Å; Q436-E445 PolarHBondContact NE2-OE1 2.84Å; Q436-E445 PolarHBondContact NE2-OE2 3.45Å; G441-E445 CarbonylContact O-C 3.49Å; G441-E445 WeakPolarHBondContact O-CA 3.38Å; G441-E445 PolarHBondContact O-N 3.37Å; E445-Q447 VanDerWaalsContact C-N 3.26Å; E445-Q447 PolarHBondContact O-N 3.5Å; E445-Q447 VanDerWaalsContact O-N 3.17Å; E445-L448 HydrophobicContact CB-CB 4.16Å; E445-L448 HydrophobicContact CB-CD1 4.1Å; E445-L448 HydrophobicContact CB-CG 4.33Å; E445-L448 HydrophobicContact CG-CD1 4.27Å; E445-L448 PolarHBondContact O-N 2.91Å; E445-L448 VanDerWaalsContact O-N 3.12Å; E445-L449 PolarHBondContact O-N 3.3Å
446P96Very high95.9Very high7 Ų720.9 Ų20.95%0.04510%0.104CC..Hα-helixtrans-57.2-37.2-171.318.1-28.7000113.1K165 I166 L169 A442 E444 A450K165-P446 HydrophobicContact CB-CB 3.85Å; K165-P446 HydrophobicContact CB-CG 3.75Å; K165-P446 HydrophobicContact CD-CG 4.14Å; I166-P446 HydrophobicContact CB-CB 4.25Å; L169-P446 HydrophobicContact CD1-CB 3.93Å; L169-P446 WeakPolarHBondContact CD1-O 3.09Å; A442-P446 WeakPolarHBondContact O-CB 3.45Å; E444-P446 VanDerWaalsContact C-CD 3.47Å; P446-A450 VanDerWaalsContact O-CB 3.23Å; P446-A450 WeakPolarHBondContact O-CB 3.33Å; P446-A450 PolarHBondContact O-N 3.03Å
447Q94.6Very high95.8Very high109 Ų10917 Ų1751%0.5099%0.086SC..Hα-helixtrans-68.2-42.5179.9-61.981.6-1.600111.9L169 E445 A451L169-Q447 HydrophobicContact CD1-CG 4.18Å; E445-Q447 VanDerWaalsContact C-N 3.26Å; E445-Q447 PolarHBondContact O-N 3.5Å; E445-Q447 VanDerWaalsContact O-N 3.17Å; Q447-A451 VanDerWaalsContact O-CB 3.28Å; Q447-A451 WeakPolarHBondContact O-CB 3.5Å; Q447-A451 PolarHBondContact O-N 3.07Å
448L95.2Very high95.4Very high42 Ų4219 Ų1922%0.2210%0.095CC..Hα-helixtrans-66.1-42.4179-62.1-178000110.7I434 Q436 E445 A451 D452I434-L448 HydrophobicContact CG2-CB 4.16Å; I434-L448 HydrophobicContact CG2-CD1 3.74Å; Q436-L448 HydrophobicContact CG-CD1 3.45Å; Q436-L448 VanDerWaalsContact CG-CD1 3.45Å; E445-L448 HydrophobicContact CB-CB 4.16Å; E445-L448 HydrophobicContact CB-CD1 4.1Å; E445-L448 HydrophobicContact CB-CG 4.33Å; E445-L448 HydrophobicContact CG-CD1 4.27Å; E445-L448 PolarHBondContact O-N 2.91Å; E445-L448 VanDerWaalsContact O-N 3.12Å; L448-A451 PolarHBondContact O-N 3.42Å; L448-D452 PolarHBondContact O-N 3.1Å; L448-D452 VanDerWaalsContact O-N 3.1Å
449L96.5Very high95.2Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-67.6-43.7178.2-16959.5000112.2I166 N257 A407 F409 A442 E445 A451 D452 L453I166-L449 HydrophobicContact CD1-CB 3.91Å; I166-L449 HydrophobicContact CD1-CD2 3.88Å; I166-L449 HydrophobicContact CD1-CG 3.85Å; N257-L449 HydrophobicContact CB-CD1 4.37Å; A407-L449 HydrophobicContact CB-CD1 3.94Å; F409-L449 HydrophobicContact CE2-CD1 4.01Å; F409-L449 HydrophobicContact CZ-CB 4.42Å; F409-L449 HydrophobicContact CZ-CD1 4.24Å; A442-L449 HydrophobicContact CB-CD2 3.64Å; E445-L449 PolarHBondContact O-N 3.3Å; L449-A451 VanDerWaalsContact C-N 3.34Å; L449-A451 PolarHBondContact O-N 3.47Å; L449-D452 PolarHBondContact O-N 3.44Å; L449-L453 PolarHBondContact O-N 3.44Å
450A95.4Very high94.9Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-61.5-43.3176.200000111.4I166 L169 L170 P446 D452 L453 F454I166-A450 HydrophobicContact CD1-CB 4.17Å; I166-A450 HydrophobicContact CG1-CB 3.97Å; L169-A450 HydrophobicContact CB-CB 3.93Å; L169-A450 HydrophobicContact CD1-CB 3.89Å; L170-A450 HydrophobicContact CD2-CB 4.19Å; P446-A450 VanDerWaalsContact O-CB 3.23Å; P446-A450 WeakPolarHBondContact O-CB 3.33Å; P446-A450 PolarHBondContact O-N 3.03Å; A450-D452 VanDerWaalsContact C-N 3.31Å; A450-D452 PolarHBondContact O-N 3.31Å; A450-L453 WeakPolarHBondContact O-CB 3.2Å; A450-L453 PolarHBondContact O-N 3.47Å; A450-F454 HydrophobicContact CB-CE2 4.4Å; A450-F454 WeakPolarHBondContact O-CD2 3.49Å; A450-F454 PolarHBondContact O-N 2.92Å
451A93.1Very high94.3Very high26 Ų2622.5 Ų22.522%0.21512%0.118CC..Hα-helixtrans-61.5-38.1177.200000112.5Q447 L448 L449 K455Q447-A451 VanDerWaalsContact O-CB 3.28Å; Q447-A451 WeakPolarHBondContact O-CB 3.5Å; Q447-A451 PolarHBondContact O-N 3.07Å; L448-A451 PolarHBondContact O-N 3.42Å; L449-A451 VanDerWaalsContact C-N 3.34Å; L449-A451 PolarHBondContact O-N 3.47Å; A451-K455 VanDerWaalsContact O-CG 3.26Å; A451-K455 WeakPolarHBondContact O-CG 3.37Å; A451-K455 PolarHBondContact O-N 2.9Å; A451-K455 VanDerWaalsContact O-N 3.14Å
452D95.2Very high93.4Very high5 Ų526.4 Ų26.43%0.02715%0.146CC..Hα-helixtrans-69.7-40.4175.6-160.358.9000112.4H255 R430 T432 L448 L449 A450 K455 F456H255-D452 IonicContact NE2-OD2 3.87Å; H255-D452 PolarHBondContact NE2-OD2 3.29Å; R430-D452 IonicContact CZ-OD1 2.83Å; R430-D452 VanDerWaalsContact CZ-OD1 3.29Å; R430-D452 IonicContact NE-OD1 3.99Å; R430-D452 PolarHBondContact NE-OD1 3.21Å; R430-D452 IonicContact NH2-OD1 3.49Å; R430-D452 PolarHBondContact NH2-OD1 3.31Å; T432-D452 VanDerWaalsContact CB-OD1 3.24Å; T432-D452 WeakPolarHBondContact CB-OD1 3.27Å; T432-D452 WeakPolarHBondContact CG2-OD1 3.43Å; T432-D452 PolarHBondContact OG1-OD1 2.83Å; L448-D452 PolarHBondContact O-N 3.1Å; L448-D452 VanDerWaalsContact O-N 3.1Å; L449-D452 PolarHBondContact O-N 3.44Å; A450-D452 VanDerWaalsContact C-N 3.31Å; A450-D452 PolarHBondContact O-N 3.31Å; D452-K455 PolarHBondContact O-N 3.02Å; D452-F456 WeakPolarHBondContact O-CB 3.36Å; D452-F456 PolarHBondContact O-N 3.22Å
453L95.3Very high92.3Very high2 Ų229.2 Ų29.21%0.0117%0.166CC..Hα-helixtrans-57.6-48.2173.5-88.1165.1000112.3I150 I166 L170 H231 H255 L449 A450 K455 F456 V457I150-L453 HydrophobicContact CD1-CD2 3.95Å; I166-L453 HydrophobicContact CD1-CD1 4.12Å; L170-L453 HydrophobicContact CD1-CD1 4.36Å; L170-L453 HydrophobicContact CD2-CD1 4.11Å; H231-L453 HydrophobicContact CB-CD2 4.48Å; H255-L453 HydrophobicContact CB-CD2 3.59Å; H255-L453 VanDerWaalsContact CD2-CD2 3.45Å; H255-L453 WeakPolarHBondContact CD2-CD2 3.46Å; L449-L453 PolarHBondContact O-N 3.44Å; A450-L453 WeakPolarHBondContact O-CB 3.2Å; A450-L453 PolarHBondContact O-N 3.47Å; L453-K455 PolarHBondContact O-N 2.84Å; L453-F456 WeakPolarHBondContact O-CB 3.42Å; L453-F456 PolarHBondContact O-N 2.67Å; L453-V457 PolarHBondContact O-N 3.04Å
454F93.8Very high90.4Very high0 Ų034.8 Ų34.80%020%0.195CC..Hα-helixtrans-65-40.4178.2-73.4-59000112.5L169 L170 P173 F183 P184 F186 A450 F456 V457 N458L169-F454 WeakPolarHBondContact O-CZ 3.37Å; L170-F454 HydrophobicContact CD2-CE2 4.11Å; L170-F454 HydrophobicContact CD2-CZ 4.04Å; P173-F454 HydrophobicContact CB-CE1 4.18Å; P173-F454 HydrophobicContact CB-CE2 3.77Å; P173-F454 HydrophobicContact CB-CZ 3.51Å; P173-F454 HydrophobicContact CG-CE1 4.06Å; P173-F454 HydrophobicContact CG-CE2 4.49Å; P173-F454 HydrophobicContact CG-CZ 3.74Å; F183-F454 HydrophobicContact CB-CD1 4.02Å; F183-F454 HydrophobicContact CB-CE1 4.47Å; F183-F454 HydrophobicContact CB-CG 4.33Å; F183-F454 HydrophobicContact CD1-CB 4.43Å; F183-F454 HydrophobicContact CD2-CB 3.6Å; F183-F454 HydrophobicContact CD2-CD1 4.22Å; F183-F454 AromaticContact CD2-CD2 3.95Å; F183-F454 HydrophobicContact CD2-CD2 3.95Å; F183-F454 AromaticContact CD2-CG 3.67Å; F183-F454 HydrophobicContact CD2-CG 3.67Å; F183-F454 HydrophobicContact CE2-CB 3.8Å; F183-F454 HydrophobicContact CE2-CD2 4.43Å; F183-F454 HydrophobicContact CE2-CG 4.26Å; F183-F454 HydrophobicContact CG-CB 3.98Å; F183-F454 HydrophobicContact CG-CD1 4.28Å; F183-F454 HydrophobicContact CG-CG 4.12Å; F183-F454 HydrophobicContact CZ-CB 4.29Å; P184-F454 WeakPolarHBondContact O-CE1 3.39Å; F186-F454 HydrophobicContact CD2-CD1 4.43Å; F186-F454 AromaticContact CD2-CE1 3.63Å; F186-F454 HydrophobicContact CD2-CE1 3.63Å; F186-F454 HydrophobicContact CD2-CZ 4.06Å; F186-F454 AromaticContact CE2-CD1 3.72Å; F186-F454 HydrophobicContact CE2-CD1 3.72Å; F186-F454 AromaticContact CE2-CE1 3.35Å; F186-F454 HydrophobicContact CE2-CE1 3.35Å; F186-F454 HydrophobicContact CE2-CZ 4.01Å; F186-F454 HydrophobicContact CZ-CE1 4.46Å; A450-F454 HydrophobicContact CB-CE2 4.4Å; A450-F454 WeakPolarHBondContact O-CD2 3.49Å; A450-F454 PolarHBondContact O-N 2.92Å; F454-F456 VanDerWaalsContact C-N 3.29Å; F454-F456 PolarHBondContact O-N 3.32Å; F454-V457 PolarHBondContact O-N 2.91Å; F454-N458 PolarHBondContact O-N 3.18Å; F454-N458 PolarHBondContact O-ND2 3.25Å
455K92.8Very high88Confident105 Ų10540.9 Ų40.946%0.45724%0.239SC..Hα-helixtrans-61.5-39.8173.7-73.7172-174.2174.20111.4A451 D452 L453 N458 V459A451-K455 VanDerWaalsContact O-CG 3.26Å; A451-K455 WeakPolarHBondContact O-CG 3.37Å; A451-K455 PolarHBondContact O-N 2.9Å; A451-K455 VanDerWaalsContact O-N 3.14Å; D452-K455 PolarHBondContact O-N 3.02Å; L453-K455 PolarHBondContact O-N 2.84Å; K455-N458 PolarHBondContact O-N 3.12Å; K455-V459 WeakPolarHBondContact O-CG2 3.42Å; K455-V459 PolarHBondContact O-N 3.48Å
456F95Very high87.6Confident1 Ų141.7 Ų41.70%0.00425%0.246CC..Hα-helixtrans-61.8-48.1174.7168.8-129.7000111.9F229 H255 A405 V429 D452 L453 F454 N458 V459 I460F229-F456 HydrophobicContact CD1-CD1 4.38Å; F229-F456 AromaticContact CD1-CE1 3.79Å; F229-F456 HydrophobicContact CD1-CE1 3.79Å; F229-F456 HydrophobicContact CD1-CZ 4.49Å; F229-F456 HydrophobicContact CE1-CD1 4.42Å; F229-F456 AromaticContact CE1-CE1 3.95Å; F229-F456 HydrophobicContact CE1-CE1 3.95Å; F229-F456 HydrophobicContact CE1-CZ 4.37Å; H255-F456 HydrophobicContact CB-CD1 4Å; H255-F456 HydrophobicContact CB-CE1 4.04Å; A405-F456 HydrophobicContact CB-CB 3.83Å; A405-F456 HydrophobicContact CB-CD1 3.98Å; A405-F456 HydrophobicContact CB-CD2 3.34Å; A405-F456 HydrophobicContact CB-CE1 4.34Å; A405-F456 HydrophobicContact CB-CE2 3.74Å; A405-F456 HydrophobicContact CB-CG 3.44Å; A405-F456 VanDerWaalsContact CB-CG 3.44Å; A405-F456 HydrophobicContact CB-CZ 4.21Å; V429-F456 HydrophobicContact CG2-CD2 3.83Å; V429-F456 HydrophobicContact CG2-CE2 3.53Å; D452-F456 WeakPolarHBondContact O-CB 3.36Å; D452-F456 PolarHBondContact O-N 3.22Å; L453-F456 WeakPolarHBondContact O-CB 3.42Å; L453-F456 PolarHBondContact O-N 2.67Å; F454-F456 VanDerWaalsContact C-N 3.29Å; F454-F456 PolarHBondContact O-N 3.32Å; F456-N458 VanDerWaalsContact C-N 3.3Å; F456-N458 PolarHBondContact O-N 3.28Å; F456-V459 WeakPolarHBondContact O-CB 3.24Å; F456-V459 PolarHBondContact O-N 3.46Å; F456-V459 VanDerWaalsContact O-N 3.11Å; F456-I460 HydrophobicContact CD2-CD1 4.37Å; F456-I460 HydrophobicContact CD2-CG1 4.01Å; F456-I460 HydrophobicContact CE2-CD1 3.74Å; F456-I460 HydrophobicContact CE2-CG1 3.61Å; F456-I460 HydrophobicContact CZ-CD1 4.38Å; F456-I460 HydrophobicContact CZ-CG1 4.05Å; F456-I460 PolarHBondContact O-N 3.17Å; F456-I460 VanDerWaalsContact O-N 3.15Å
457V92.4Very high87.2Confident0 Ų043.5 Ų43.50%026%0.256CS..Hα-helixtrans-60.2-40.8178.4173.30000111.8Y148 P184 F186 F229 L453 F454 V459 I460 A461Y148-V457 HydrophobicContact CD2-CG1 3.74Å; Y148-V457 HydrophobicContact CE2-CG1 3.66Å; P184-V457 HydrophobicContact CG-CG1 3.69Å; F186-V457 HydrophobicContact CE1-CG2 3.81Å; F186-V457 HydrophobicContact CZ-CB 4.49Å; F186-V457 HydrophobicContact CZ-CG2 3.43Å; F186-V457 VanDerWaalsContact CZ-CG2 3.43Å; F229-V457 HydrophobicContact CD1-CG2 4.2Å; F229-V457 HydrophobicContact CD2-CG2 4.29Å; F229-V457 HydrophobicContact CE1-CG2 3.86Å; F229-V457 HydrophobicContact CE2-CG1 4.2Å; F229-V457 HydrophobicContact CE2-CG2 3.96Å; F229-V457 HydrophobicContact CG-CG2 4.4Å; F229-V457 HydrophobicContact CZ-CB 4.28Å; F229-V457 HydrophobicContact CZ-CG1 4.05Å; F229-V457 HydrophobicContact CZ-CG2 3.73Å; L453-V457 PolarHBondContact O-N 3.04Å; F454-V457 PolarHBondContact O-N 2.91Å; V457-V459 VanDerWaalsContact C-N 3.31Å; V457-V459 PolarHBondContact O-N 3.08Å; V457-I460 PolarHBondContact O-N 2.95Å; V457-I460 VanDerWaalsContact O-N 3.12Å; V457-A461 WeakPolarHBondContact O-CB 3.33Å; V457-A461 PolarHBondContact O-N 2.95Å
458N89.3Confident86.7Confident50 Ų5039.9 Ų39.927%0.26724%0.242SC..Hα-helixtrans-61.5-38.7176.3-70.6-20.7000112.5F183 F454 K455 F456 I460 S462F183-N458 VanDerWaalsContact CD1-ND2 3.26Å; F183-N458 WeakPolarHBondContact CD1-ND2 3.38Å; F183-N458 WeakPolarHBondContact CE1-ND2 3.48Å; F454-N458 PolarHBondContact O-N 3.18Å; F454-N458 PolarHBondContact O-ND2 3.25Å; K455-N458 PolarHBondContact O-N 3.12Å; F456-N458 VanDerWaalsContact C-N 3.3Å; F456-N458 PolarHBondContact O-N 3.28Å; N458-I460 VanDerWaalsContact C-N 3.3Å; N458-I460 PolarHBondContact O-N 2.75Å; N458-S462 WeakPolarHBondContact O-CB 3.46Å; N458-S462 PolarHBondContact O-N 3.19Å; N458-S462 PolarHBondContact O-OG 2.95Å
459V91.8Very high86.2Confident62 Ų6239.8 Ų39.838%0.37624%0.244SC..Hα-helixtrans-61.5-40.3174.9171.30000111.2V429 K455 F456 V457V429-V459 HydrophobicContact CB-CG1 4.21Å; V429-V459 HydrophobicContact CG2-CG1 4.34Å; K455-V459 WeakPolarHBondContact O-CG2 3.42Å; K455-V459 PolarHBondContact O-N 3.48Å; F456-V459 WeakPolarHBondContact O-CB 3.24Å; F456-V459 PolarHBondContact O-N 3.46Å; F456-V459 VanDerWaalsContact O-N 3.11Å; V457-V459 VanDerWaalsContact C-N 3.31Å; V457-V459 PolarHBondContact O-N 3.08Å
460I91.9Very high85.6Confident6 Ų642.3 Ų42.33%0.03126%0.259CS..Hα-helixtrans-72.2-47.2178.8-58.6-53.2000111.5F229 I252 P403 V429 F456 V457 N458 S462 S463 D464F229-I460 HydrophobicContact CE1-CB 4.39Å; F229-I460 HydrophobicContact CE1-CG1 4.19Å; F229-I460 HydrophobicContact CE1-CG2 4.48Å; F229-I460 HydrophobicContact CZ-CB 4.32Å; F229-I460 HydrophobicContact CZ-CG2 4.27Å; I252-I460 HydrophobicContact CG2-CG2 3.92Å; P403-I460 HydrophobicContact CB-CD1 3.32Å; P403-I460 HydrophobicContact CB-CG1 4.44Å; P403-I460 HydrophobicContact CG-CD1 4.01Å; V429-I460 HydrophobicContact CG2-CD1 4.1Å; F456-I460 HydrophobicContact CD2-CD1 4.37Å; F456-I460 HydrophobicContact CD2-CG1 4.01Å; F456-I460 HydrophobicContact CE2-CD1 3.74Å; F456-I460 HydrophobicContact CE2-CG1 3.61Å; F456-I460 HydrophobicContact CZ-CD1 4.38Å; F456-I460 HydrophobicContact CZ-CG1 4.05Å; F456-I460 PolarHBondContact O-N 3.17Å; F456-I460 VanDerWaalsContact O-N 3.15Å; V457-I460 PolarHBondContact O-N 2.95Å; V457-I460 VanDerWaalsContact O-N 3.12Å; N458-I460 VanDerWaalsContact C-N 3.3Å; N458-I460 PolarHBondContact O-N 2.75Å; I460-S462 VanDerWaalsContact C-N 3.27Å; I460-S462 PolarHBondContact O-N 3.12Å; I460-S463 PolarHBondContact O-N 2.77Å; I460-S463 PolarHBondContact O-OG 3.28Å; I460-D464 PolarHBondContact O-N 3.31Å
461A83.9Confident84.9Confident15 Ų1545.1 Ų45.112%0.12428%0.276CS..Hα-helixtrans-62.4-35-177.500000112.3V457 S463V457-A461 WeakPolarHBondContact O-CB 3.33Å; V457-A461 PolarHBondContact O-N 2.95Å; A461-S463 VanDerWaalsContact C-N 3.27Å; A461-S463 PolarHBondContact O-N 3.05Å
462S79.5Confident84.4Confident83 Ų8346.4 Ų46.458%0.5828%0.281SS*.THydrogen-bonded Turntrans-76.2-11.2175.1-59.20000114N458 I460 S465N458-S462 WeakPolarHBondContact O-CB 3.46Å; N458-S462 PolarHBondContact O-N 3.19Å; N458-S462 PolarHBondContact O-OG 2.95Å; I460-S462 VanDerWaalsContact C-N 3.27Å; I460-S462 PolarHBondContact O-N 3.12Å; S462-S465 PolarHBondContact O-OG 3.08Å
463S73.8Confident83.5Confident59 Ų5949.6 Ų49.641%0.41330%0.3SS..THydrogen-bonded Turntrans-93.1-15.7176.770.10000113.8I460 A461I460-S463 PolarHBondContact O-N 2.77Å; I460-S463 PolarHBondContact O-OG 3.28Å; A461-S463 VanDerWaalsContact C-N 3.27Å; A461-S463 PolarHBondContact O-N 3.05Å
464D58.7Low82.5Confident118 Ų11853.6 Ų53.663%0.63132%0.324SS*.  trans-93.9-10.5175.3-76.2-11.6000112.6I460I460-D464 PolarHBondContact O-N 3.31Å
465S47.9Very low81.5Confident144 Ų14458.5 Ų58.5100%1.00735%0.354SS*.  trans-93.50171.361.10000111.3S462S462-S465 PolarHBondContact O-OG 3.08Å

Retrieved 465 of 465 residues in 1315.5 ms (Link to these results)

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