A0A077ZMM1_TRITR Loading...

DDE Tnp 1 6 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M43.6Very low62.4Low48 Ų4871.4 Ų71.424%0.23637%0.374CS..  0132.60-72-173-7400106.2E5 A6 Q91 F94M1-E5 HydrophobicContact CB-CB 4.45Å; M1-A6 HydrophobicContact CB-CB 4.09Å; M1-A6 HydrophobicContact CE-CB 3.46Å; M1-A6 VanDerWaalsContact CE-CB 3.46Å; M1-A6 HydrophobicContact CG-CB 4.47Å; M1-A6 WeakPolarHBondContact SD-CA 3.43Å; M1-A6 HydrophobicContact SD-CB 3.57Å; M1-A6 VanDerWaalsContact SD-CB 3.57Å; M1-Q91 HydrophobicContact CE-CB 4.34Å; M1-F94 HydrophobicContact CE-CD2 4.1Å; M1-F94 HydrophobicContact CE-CE2 4.42Å; M1-F94 HydrophobicContact CG-CB 3.86Å; M1-F94 HydrophobicContact CG-CD2 4.35Å; M1-F94 HydrophobicContact CG-CG 4.32Å; M1-F94 HydrophobicContact SD-CB 4.16Å; M1-F94 HydrophobicContact SD-CD2 3.86Å; M1-F94 HydrophobicContact SD-CE2 4.47Å; M1-F94 HydrophobicContact SD-CG 3.99Å
2T45.1Very low64.2Low80 Ų8071.5 Ų71.549%0.49137%0.372SS..  trans-57.9144.9155.749.40000106.5D4 E5 A6T2-D4 PolarHBondContact O-N 2.78Å; T2-E5 PolarHBondContact O-N 3.23Å; T2-E5 WeakPolarHBondContact OG1-CG 3.38Å; T2-A6 PolarHBondContact O-N 3.01Å
3H53.1Low65.8Low153 Ų15367.1 Ų67.171%0.70835%0.349SS*.Hα-helixtrans-47.6-32.5-179-178.2-81.1000111.7K7H3-K7 WeakPolarHBondContact O-CB 3.48Å; H3-K7 PolarHBondContact O-N 2.93Å
4D53.8Low67.3Low114 Ų11464.9 Ų64.961%0.6134%0.336SS*.Hα-helixtrans-65.6-37.5179.6-48.2-38.2000114.1T2 K7 A8T2-D4 PolarHBondContact O-N 2.78Å; D4-K7 WeakPolarHBondContact O-CB 3.34Å; D4-K7 PolarHBondContact O-N 3.34Å; D4-A8 PolarHBondContact O-N 3.45Å
5E57.4Low68.6Low58 Ų5867.3 Ų67.327%0.27135%0.349SS..Hα-helixtrans-79.4-35.8-177.8-67-178.2154.600112.4M1 T2 K7 A8 Y9 K98M1-E5 HydrophobicContact CB-CB 4.45Å; T2-E5 PolarHBondContact O-N 3.23Å; T2-E5 WeakPolarHBondContact OG1-CG 3.38Å; E5-K7 PolarHBondContact O-N 3.43Å; E5-A8 PolarHBondContact O-N 3.08Å; E5-Y9 WeakPolarHBondContact O-CD2 3.43Å; E5-Y9 PolarHBondContact O-N 3.39Å; E5-Y9 VanDerWaalsContact O-N 3.14Å; E5-K98 IonicContact OE1-NZ 2.64Å; E5-K98 PolarHBondContact OE1-NZ 3.01Å; E5-K98 IonicContact OE2-NZ 2.89Å; E5-K98 PolarHBondContact OE2-NZ 3.46Å
6A62.2Low69.8Low29 Ų2966 Ų6624%0.2434%0.341CS..Hα-helixtrans-60.1-37.1173.500000110.7M1 T2 Q10 K120M1-A6 HydrophobicContact CB-CB 4.09Å; M1-A6 HydrophobicContact CE-CB 3.46Å; M1-A6 VanDerWaalsContact CE-CB 3.46Å; M1-A6 HydrophobicContact CG-CB 4.47Å; M1-A6 WeakPolarHBondContact SD-CA 3.43Å; M1-A6 HydrophobicContact SD-CB 3.57Å; M1-A6 VanDerWaalsContact SD-CB 3.57Å; T2-A6 PolarHBondContact O-N 3.01Å; A6-Q10 WeakPolarHBondContact O-CB 3.43Å; A6-Q10 PolarHBondContact O-N 3.07Å; A6-K120 PolarHBondContact O-NZ 3.49Å; A6-K120 VanDerWaalsContact O-NZ 3.16Å
7K67Low70.9Confident118 Ų11862.4 Ų62.451%0.51332%0.322SS..Hα-helixtrans-68.7-48.9173.9-164.5-178.6176.7-174.80111.2H3 D4 E5 Y9 Q10 D11H3-K7 WeakPolarHBondContact O-CB 3.48Å; H3-K7 PolarHBondContact O-N 2.93Å; D4-K7 WeakPolarHBondContact O-CB 3.34Å; D4-K7 PolarHBondContact O-N 3.34Å; E5-K7 PolarHBondContact O-N 3.43Å; K7-Y9 PolarHBondContact O-N 3.39Å; K7-Q10 CarbonylContact O-C 3.52Å; K7-Q10 WeakPolarHBondContact O-CA 3.46Å; K7-Q10 VanDerWaalsContact O-CB 3.28Å; K7-Q10 WeakPolarHBondContact O-CB 3.24Å; K7-Q10 PolarHBondContact O-N 3.04Å; K7-D11 PolarHBondContact O-N 3.21Å
8A69.2Low71.9Confident43 Ų4360.3 Ų60.336%0.35531%0.312SS..Hα-helixtrans-53.5-48.6177.400000113.4D4 E5 Q10 D11 E12D4-A8 PolarHBondContact O-N 3.45Å; E5-A8 PolarHBondContact O-N 3.08Å; A8-Q10 VanDerWaalsContact C-N 3.27Å; A8-Q10 PolarHBondContact O-N 3Å; A8-D11 PolarHBondContact O-N 2.66Å; A8-E12 WeakPolarHBondContact O-CG 3.35Å; A8-E12 PolarHBondContact O-N 3.3Å
9Y75.4Confident72.9Confident15 Ų1564 Ų646%0.05932%0.322CS..Hα-helixtrans-70.4-23.7176-74.8-67.8000113.9E5 K7 E12 L13 F124E5-Y9 WeakPolarHBondContact O-CD2 3.43Å; E5-Y9 PolarHBondContact O-N 3.39Å; E5-Y9 VanDerWaalsContact O-N 3.14Å; K7-Y9 PolarHBondContact O-N 3.39Å; Y9-E12 WeakPolarHBondContact CD1-OE2 3.41Å; Y9-L13 WeakPolarHBondContact O-CB 3.11Å; Y9-L13 PolarHBondContact O-N 3Å; Y9-F124 HydrophobicContact CE1-CB 4.43Å; Y9-F124 HydrophobicContact CE1-CD2 4.31Å; Y9-F124 AromaticContact CE2-CD2 3.9Å; Y9-F124 HydrophobicContact CE2-CD2 3.9Å; Y9-F124 HydrophobicContact CE2-CE2 4.45Å; Y9-F124 AromaticContact CZ-CD2 3.53Å; Y9-F124 WeakPolarHBondContact OH-CD2 3.42Å
10Q78.8Confident73.6Confident65 Ų6562 Ų6230%0.30431%0.311SS..Hα-helixtrans-73.4-42.2173.8-175.464.827.500109.9A6 K7 A8 L13 E14A6-Q10 WeakPolarHBondContact O-CB 3.43Å; A6-Q10 PolarHBondContact O-N 3.07Å; K7-Q10 CarbonylContact O-C 3.52Å; K7-Q10 WeakPolarHBondContact O-CA 3.46Å; K7-Q10 VanDerWaalsContact O-CB 3.28Å; K7-Q10 WeakPolarHBondContact O-CB 3.24Å; K7-Q10 PolarHBondContact O-N 3.04Å; A8-Q10 VanDerWaalsContact C-N 3.27Å; A8-Q10 PolarHBondContact O-N 3Å; Q10-L13 PolarHBondContact O-N 2.92Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.49Å; Q10-E14 PolarHBondContact NE2-OE1 3.41Å; Q10-E14 WeakPolarHBondContact O-CB 3.44Å; Q10-E14 VanDerWaalsContact O-CG 3.3Å; Q10-E14 WeakPolarHBondContact O-CG 3.28Å; Q10-E14 PolarHBondContact O-N 3.36Å
11D80.7Confident74.4Confident62 Ų6260.4 Ų60.433%0.33230%0.302SS..Hα-helixtrans-63.9-46.1176.6-58.6-16.6000109.8K7 A8 L13 E14 D15K7-D11 PolarHBondContact O-N 3.21Å; A8-D11 PolarHBondContact O-N 2.66Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.91Å; D11-E14 PolarHBondContact O-N 3.44Å; D11-E14 VanDerWaalsContact O-N 3.09Å; D11-D15 WeakPolarHBondContact O-CB 3.41Å; D11-D15 PolarHBondContact O-N 3.13Å
12E84.4Confident76.6Confident73 Ų7363 Ų6334%0.34132%0.315SS..Hα-helixtrans-56-43.5173-76.2175.1-165.400112.6A8 Y9 E16 H123A8-E12 WeakPolarHBondContact O-CG 3.35Å; A8-E12 PolarHBondContact O-N 3.3Å; Y9-E12 WeakPolarHBondContact CD1-OE2 3.41Å; E12-E16 WeakPolarHBondContact O-CB 3.48Å; E12-E16 PolarHBondContact O-N 3.02Å; E12-H123 IonicContact OE2-CE1 3.68Å
13L85.3Confident78.7Confident14 Ų1466 Ų667%0.07332%0.324CS..Hα-helixtrans-65.5-41.8176.8178.361.3000111Y9 Q10 D11 E16 I17 W212Y9-L13 WeakPolarHBondContact O-CB 3.11Å; Y9-L13 PolarHBondContact O-N 3Å; Q10-L13 PolarHBondContact O-N 2.92Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.91Å; L13-E16 PolarHBondContact O-N 3.05Å; L13-I17 HydrophobicContact CD1-CD1 4.17Å; L13-I17 HydrophobicContact CD1-CG1 4.35Å; L13-I17 HydrophobicContact CG-CD1 3.89Å; L13-I17 HydrophobicContact CG-CG1 4.49Å; L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CD1 3.35Å; L13-I17 WeakPolarHBondContact O-CG1 3.2Å; L13-I17 PolarHBondContact O-N 3.08Å; L13-W212 HydrophobicContact CB-CH2 3.78Å; L13-W212 HydrophobicContact CB-CZ2 4.07Å; L13-W212 HydrophobicContact CD1-CD2 4.45Å; L13-W212 HydrophobicContact CD1-CE3 4.4Å; L13-W212 HydrophobicContact CD1-CH2 3.88Å; L13-W212 HydrophobicContact CD1-CZ2 3.92Å; L13-W212 HydrophobicContact CD1-CZ3 4.09Å; L13-W212 HydrophobicContact CG-CH2 4.26Å
14E86.5Confident80.2Confident37 Ų3760.8 Ų60.817%0.17331%0.307CS..Hα-helixtrans-66.6-39.2179.1-74.2176.7-166.800111.9Q10 D11 I17 N18 L31Q10-E14 WeakPolarHBondContact CG-OE1 3.49Å; Q10-E14 PolarHBondContact NE2-OE1 3.41Å; Q10-E14 WeakPolarHBondContact O-CB 3.44Å; Q10-E14 VanDerWaalsContact O-CG 3.3Å; Q10-E14 WeakPolarHBondContact O-CG 3.28Å; Q10-E14 PolarHBondContact O-N 3.36Å; D11-E14 PolarHBondContact O-N 3.44Å; D11-E14 VanDerWaalsContact O-N 3.09Å; E14-I17 PolarHBondContact O-N 3.22Å; E14-N18 WeakPolarHBondContact O-CB 3.34Å; E14-N18 PolarHBondContact O-N 3.24Å; E14-N18 PolarHBondContact O-ND2 3.45Å; E14-L31 VanDerWaalsContact OE2-CD2 3.23Å; E14-L31 WeakPolarHBondContact OE2-CD2 3.42Å
15D87.3Confident81.8Confident100 Ų10059 Ų5954%0.53532%0.315SS..Hα-helixtrans-62.7-45.2173.5-74.6-17.7000111.5D11 N18 R19D11-D15 WeakPolarHBondContact O-CB 3.41Å; D11-D15 PolarHBondContact O-N 3.13Å; D15-N18 PolarHBondContact O-N 3.06Å; D15-R19 WeakPolarHBondContact O-CB 3.38Å; D15-R19 PolarHBondContact O-N 3Å
16E87.6Confident83.2Confident47 Ų4759.4 Ų59.422%0.2232%0.316CS..Hα-helixtrans-66.1-40.9177.7-170.460.2-146.200111.7E12 L13 N18 R19 Q20 V211E12-E16 WeakPolarHBondContact O-CB 3.48Å; E12-E16 PolarHBondContact O-N 3.02Å; L13-E16 PolarHBondContact O-N 3.05Å; E16-N18 VanDerWaalsContact C-N 3.31Å; E16-N18 PolarHBondContact O-N 3.41Å; E16-R19 PolarHBondContact O-N 3.45Å; E16-R19 IonicContact OE1-NH1 2.99Å; E16-R19 IonicContact OE2-CZ 2.64Å; E16-R19 IonicContact OE2-NH1 3.42Å; E16-R19 PolarHBondContact OE2-NH1 2.64Å; E16-R19 IonicContact OE2-NH2 3.38Å; E16-Q20 PolarHBondContact O-N 3.02Å; E16-Q20 PolarHBondContact OE1-NE2 3.37Å; E16-V211 HydrophobicContact CB-CG1 4.3Å; E16-V211 HydrophobicContact CG-CG1 3.44Å; E16-V211 VanDerWaalsContact CG-CG1 3.44Å
17I88.3Confident84.3Confident4 Ų468.3 Ų68.32%0.02134%0.343CS..Hα-helixtrans-58-46.8173-72.1165.1000110.4L13 E14 Q20 R21 F29 V173 V211L13-I17 HydrophobicContact CD1-CD1 4.17Å; L13-I17 HydrophobicContact CD1-CG1 4.35Å; L13-I17 HydrophobicContact CG-CD1 3.89Å; L13-I17 HydrophobicContact CG-CG1 4.49Å; L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CD1 3.35Å; L13-I17 WeakPolarHBondContact O-CG1 3.2Å; L13-I17 PolarHBondContact O-N 3.08Å; E14-I17 PolarHBondContact O-N 3.22Å; I17-Q20 PolarHBondContact O-N 3.42Å; I17-R21 WeakPolarHBondContact O-CB 3.43Å; I17-R21 VanDerWaalsContact O-CG 3.25Å; I17-R21 WeakPolarHBondContact O-CG 3.43Å; I17-R21 PolarHBondContact O-N 2.73Å; I17-F29 HydrophobicContact CG2-CD2 3.79Å; I17-F29 HydrophobicContact CG2-CE2 3.91Å; I17-V173 HydrophobicContact CG1-CG1 4.4Å; I17-V173 HydrophobicContact CG2-CG1 4.08Å; I17-V211 HydrophobicContact CG1-CG2 4.25Å
18N89.3Confident85.2Confident26 Ų2666 Ų6614%0.13934%0.34CS..Hα-helixtrans-66.9-39.3-178.9-79.1-28000111.8E14 D15 E16 R21 I22 P28 F29E14-N18 WeakPolarHBondContact O-CB 3.34Å; E14-N18 PolarHBondContact O-N 3.24Å; E14-N18 PolarHBondContact O-ND2 3.45Å; D15-N18 PolarHBondContact O-N 3.06Å; E16-N18 VanDerWaalsContact C-N 3.31Å; E16-N18 PolarHBondContact O-N 3.41Å; N18-R21 PolarHBondContact O-N 2.86Å; N18-I22 WeakPolarHBondContact O-CD1 3.36Å; N18-I22 VanDerWaalsContact O-CG1 3.23Å; N18-I22 WeakPolarHBondContact O-CG1 3.33Å; N18-I22 PolarHBondContact O-N 3.47Å; N18-P28 HydrophobicContact CB-CB 4.13Å; N18-F29 PolarHBondContact ND2-O 3.04Å; N18-F29 PolarHBondContact OD1-N 3.25Å
19R89.9Confident86Confident130 Ų13066.9 Ų66.949%0.49134%0.336SS..Hα-helixtrans-57.9-52.6174.1-169.4-174.6-58.6146.410.9111.6D15 E16 R21 I22 E23D15-R19 WeakPolarHBondContact O-CB 3.38Å; D15-R19 PolarHBondContact O-N 3Å; E16-R19 PolarHBondContact O-N 3.45Å; E16-R19 IonicContact OE1-NH1 2.99Å; E16-R19 IonicContact OE2-CZ 2.64Å; E16-R19 IonicContact OE2-NH1 3.42Å; E16-R19 PolarHBondContact OE2-NH1 2.64Å; E16-R19 IonicContact OE2-NH2 3.38Å; R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.16Å; R19-I22 PolarHBondContact O-N 2.98Å; R19-I22 VanDerWaalsContact O-N 3.1Å; R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.45Å
20Q87.8Confident86.1Confident24 Ų2471.4 Ų71.411%0.11237%0.366CS..Hα-helixtrans-63.2-32.2179-68.9-170.113.600112.8E16 I17 A24 V173E16-Q20 PolarHBondContact O-N 3.02Å; E16-Q20 PolarHBondContact OE1-NE2 3.37Å; I17-Q20 PolarHBondContact O-N 3.42Å; Q20-A24 VanDerWaalsContact O-CB 3.31Å; Q20-A24 WeakPolarHBondContact O-CB 3.49Å; Q20-A24 PolarHBondContact O-N 3.25Å; Q20-A24 VanDerWaalsContact O-N 3.08Å; Q20-V173 HydrophobicContact CB-CG2 4.03Å
21R89.3Confident85.5Confident29 Ų2973.5 Ų73.511%0.10938%0.378CS..Hα-helixtrans-67.1-43.7173.8-7517867.482.92.7111.8I17 N18 R19 A24 G25 K26 R27 F29 V173I17-R21 WeakPolarHBondContact O-CB 3.43Å; I17-R21 VanDerWaalsContact O-CG 3.25Å; I17-R21 WeakPolarHBondContact O-CG 3.43Å; I17-R21 PolarHBondContact O-N 2.73Å; N18-R21 PolarHBondContact O-N 2.86Å; R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.16Å; R21-A24 CarbonylContact O-C 3.51Å; R21-A24 PolarHBondContact O-N 2.82Å; R21-G25 PolarHBondContact O-N 3.03Å; R21-K26 CarbonylContact C-O 3.5Å; R21-K26 HydrophobicContact CB-CB 4.22Å; R21-K26 WeakPolarHBondContact O-CA 3.37Å; R21-K26 WeakPolarHBondContact O-CB 3.14Å; R21-K26 PolarHBondContact O-N 3.48Å; R21-R27 VanDerWaalsContact CZ-O 3.31Å; R21-R27 PolarHBondContact NE-O 3.42Å; R21-R27 PolarHBondContact NH2-O 3.38Å; R21-F29 VanDerWaalsContact CD-CD2 3.48Å; R21-V173 HydrophobicContact CG-CB 4Å; R21-V173 HydrophobicContact CG-CG2 4.3Å; R21-V173 PolarHBondContact NH1-O 2.86Å
22I89.9Confident84.6Confident103 Ų10374 Ų7453%0.52838%0.381SS..Hα-helixtrans-63.6-45.3178.8-68.6162.4000110.2N18 R19 A24 G25 P28N18-I22 WeakPolarHBondContact O-CD1 3.36Å; N18-I22 VanDerWaalsContact O-CG1 3.23Å; N18-I22 WeakPolarHBondContact O-CG1 3.33Å; N18-I22 PolarHBondContact O-N 3.47Å; R19-I22 PolarHBondContact O-N 2.98Å; R19-I22 VanDerWaalsContact O-N 3.1Å; I22-A24 VanDerWaalsContact C-N 3.26Å; I22-A24 PolarHBondContact O-N 3.34Å; I22-G25 WeakPolarHBondContact O-CA 3.49Å; I22-G25 PolarHBondContact O-N 2.98Å; I22-P28 HydrophobicContact CD1-CB 4.43Å; I22-P28 HydrophobicContact CG1-CB 4.47Å
23E88.8Confident83.2Confident143 Ų14378.3 Ų78.367%0.66841%0.406SS*.Hα-helixtrans-59-37.5175.2-71.8170.2-176.500112.1R19 G25R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.45Å; E23-G25 PolarHBondContact O-N 3.29Å
24A86.1Confident81.3Confident43 Ų4385.9 Ų85.936%0.35544%0.441SS..THydrogen-bonded Turntrans-77.77.9173.700000114.6Q20 R21 I22 K26 F170Q20-A24 VanDerWaalsContact O-CB 3.31Å; Q20-A24 WeakPolarHBondContact O-CB 3.49Å; Q20-A24 PolarHBondContact O-N 3.25Å; Q20-A24 VanDerWaalsContact O-N 3.08Å; R21-A24 CarbonylContact O-C 3.51Å; R21-A24 PolarHBondContact O-N 2.82Å; I22-A24 VanDerWaalsContact C-N 3.26Å; I22-A24 PolarHBondContact O-N 3.34Å; A24-K26 VanDerWaalsContact C-N 3.3Å; A24-K26 PolarHBondContact O-N 2.73Å; A24-F170 HydrophobicContact CB-CE1 3.73Å; A24-F170 HydrophobicContact CB-CZ 4.38Å
25G86.2Confident79.7Confident75 Ų7590.3 Ų90.377%0.77346%0.459SS*.THydrogen-bonded Turntrans71.119.8-179.400000114.6R21 I22 E23R21-G25 PolarHBondContact O-N 3.03Å; I22-G25 WeakPolarHBondContact O-CA 3.49Å; I22-G25 PolarHBondContact O-N 2.98Å; E23-G25 PolarHBondContact O-N 3.29Å
26K86.7Confident77.6Confident67 Ų6793.8 Ų93.829%0.29147%0.472SS..PPolyproline II helixtrans-103.2149.9-179.2-65-175.1170.2-172.10111.6R21 A24 S171 T172R21-K26 CarbonylContact C-O 3.5Å; R21-K26 HydrophobicContact CB-CB 4.22Å; R21-K26 WeakPolarHBondContact O-CA 3.37Å; R21-K26 WeakPolarHBondContact O-CB 3.14Å; R21-K26 PolarHBondContact O-N 3.48Å; A24-K26 VanDerWaalsContact C-N 3.3Å; A24-K26 PolarHBondContact O-N 2.73Å; K26-S171 PolarHBondContact NZ-O 2.96Å; K26-T172 PolarHBondContact NZ-OG1 3.34Å
27R85.4Confident75.9Confident217 Ų21797.6 Ų97.682%0.81950%0.498SS*.PPolyproline II helixtrans-62.4135.1174.5-64-176.4-175.7-176.40.6110.3R21R21-R27 VanDerWaalsContact CZ-O 3.31Å; R21-R27 PolarHBondContact NE-O 3.42Å; R21-R27 PolarHBondContact NH2-O 3.38Å
28P86.8Confident74.1Confident69 Ų69105.7 Ų105.745%0.44853%0.533SS..PPolyproline II helixtrans-60.8154.117328.1-34.6000109.7N18 I22N18-P28 HydrophobicContact CB-CB 4.13Å; I22-P28 HydrophobicContact CD1-CB 4.43Å; I22-P28 HydrophobicContact CG1-CB 4.47Å
29F85.1Confident72.5Confident61 Ų61112.2 Ų112.227%0.26857%0.568SS.*PPolyproline II helixtrans-73.8136.6170-67.2-58000109.3I17 N18 R21 R175I17-F29 HydrophobicContact CG2-CD2 3.79Å; I17-F29 HydrophobicContact CG2-CE2 3.91Å; N18-F29 PolarHBondContact ND2-O 3.04Å; N18-F29 PolarHBondContact OD1-N 3.25Å; R21-F29 VanDerWaalsContact CD-CD2 3.48Å; F29-R175 HydrophobicContact CD2-CB 4.45Å; F29-R175 HydrophobicContact CD2-CG 4.39Å; F29-R175 HydrophobicContact CE2-CB 4.07Å; F29-R175 HydrophobicContact CE2-CG 4.5Å; F29-R175 HydrophobicContact CZ-CB 4.17Å
30T77.6Confident71.2Confident111 Ų111113.8 Ų113.868%0.68158%0.578SS**PPolyproline II helixtrans-69.1138.9166.944.10000109.3D32 R175T30-D32 PolarHBondContact O-N 3.43Å; T30-D32 VanDerWaalsContact O-N 3.12Å; T30-R175 PolarHBondContact O-NH2 3.1Å
31L66.3Low70.4Confident108 Ų108122.1 Ų122.157%0.56562%0.617SS**  trans-59.4115.5170.1-69.6165.5000107.7E14 L33E14-L31 VanDerWaalsContact OE2-CD2 3.23Å; E14-L31 WeakPolarHBondContact OE2-CD2 3.42Å; L31-L33 HydrophobicContact CB-CG 4.43Å; L31-L33 PolarHBondContact O-N 2.92Å
32D61Low69.7Low73 Ų73129.2 Ų129.239%0.3964%0.644SS.*  trans-73.785.6166.7-78.99.3000106.3T30 E34 K35 R175T30-D32 PolarHBondContact O-N 3.43Å; T30-D32 VanDerWaalsContact O-N 3.12Å; D32-E34 PolarHBondContact O-N 2.96Å; D32-K35 HydrophobicContact CB-CG 4.27Å; D32-K35 PolarHBondContact O-N 3.37Å; D32-R175 IonicContact OD1-CZ 3.95Å; D32-R175 VanDerWaalsContact OD1-CZ 3.28Å; D32-R175 IonicContact OD1-NH1 3.16Å; D32-R175 PolarHBondContact OD1-NH1 3.37Å; D32-R175 IonicContact OD1-NH2 3.4Å; D32-R175 PolarHBondContact OD1-NH2 3.46Å; D32-R175 IonicContact OD2-CZ 3.28Å; D32-R175 IonicContact OD2-NH1 3.04Å; D32-R175 PolarHBondContact OD2-NH1 2.59Å; D32-R175 IonicContact OD2-NH2 2.69Å; D32-R175 PolarHBondContact OD2-NH2 3.11Å; D32-R175 VanDerWaalsContact OD2-NH2 3.15Å
33L55.2Low69.4Low164 Ų164130.8 Ų130.886%0.85965%0.647SS**THydrogen-bonded Turntrans-60.7-19.4168.5-68.5168.7000110.9L31L31-L33 HydrophobicContact CB-CG 4.43Å; L31-L33 PolarHBondContact O-N 2.92Å
34E47Very low69.3Low173 Ų173129.4 Ų129.481%0.80864%0.643SS**THydrogen-bonded Turntrans-107.642.5-178-59.3178.6167.700112.5D32 E36D32-E34 PolarHBondContact O-N 2.96Å; E34-E36 PolarHBondContact O-N 3.48Å
35K52.6Low69.4Low130 Ų130128.3 Ų128.357%0.56563%0.632SS**  trans-61.192.6158.7-87.4178.3-176.6160.10106.8D32 V37D32-K35 HydrophobicContact CB-CG 4.27Å; D32-K35 PolarHBondContact O-N 3.37Å; K35-V37 PolarHBondContact O-N 2.99Å
36E43.5Very low69.5Low172 Ų172135.1 Ų135.180%0.80464%0.641SS**  trans-43.3117.5171.1-75.9-175.5157.700106E34 K38E34-E36 PolarHBondContact O-N 3.48Å; E36-K38 PolarHBondContact O-N 3.17Å
37V50Low69.6Low127 Ų127134.7 Ų134.777%0.7765%0.65SS**  trans-62.493.1175.8177.70000104.7K35 L39K35-V37 PolarHBondContact O-N 2.99Å; V37-L39 VanDerWaalsContact C-N 3.31Å; V37-L39 PolarHBondContact O-N 3.46Å
38K52Low69.8Low174 Ų174125.1 Ų125.176%0.75762%0.615SS**  trans-56.1105.1174.8-79.1-171.7177.8-177.50105.3E36 K40E36-K38 PolarHBondContact O-N 3.17Å; K38-K40 PolarHBondContact O-N 2.97Å
39L55.3Low70Confident164 Ų164126.1 Ų126.186%0.85962%0.621SS**  trans-63.291.8174.7-70.9170.9000105.7V37 E41V37-L39 VanDerWaalsContact C-N 3.31Å; V37-L39 PolarHBondContact O-N 3.46Å; L39-E41 PolarHBondContact O-N 2.76Å
40K63.5Low70.3Confident163 Ų163128 Ų12871%0.70963%0.631SS**  trans-74.5117.6172.3-72.9-174.2-179.9-179.90106.1K38 R42K38-K40 PolarHBondContact O-N 2.97Å; K40-R42 WeakPolarHBondContact O-CG 3.47Å; K40-R42 PolarHBondContact O-N 2.95Å
41E70.9Confident71Confident199 Ų199123.3 Ų123.393%0.9360%0.602SS**  trans-55.8121.9166.9-65.7-175.9165.300108.6L39L39-E41 PolarHBondContact O-N 2.76Å
42R74.7Confident72.1Confident177 Ų177118.2 Ų118.267%0.66858%0.576SS**  trans-112134.5179-68.8179-173.4-170.52108.5K40 I44K40-R42 WeakPolarHBondContact O-CG 3.47Å; K40-R42 PolarHBondContact O-N 2.95Å; R42-I44 PolarHBondContact O-N 3.13Å
43K83Confident73.5Confident137 Ų137117.7 Ų117.760%0.59657%0.569SS**  trans-70.5122.2165.4-68.8-175.5177.4-173.50108Y53 F63K43-Y53 HydrophobicContact CB-CD1 4.43Å; K43-Y53 HydrophobicContact CB-CD2 4.21Å; K43-Y53 HydrophobicContact CB-CG 4.02Å; K43-Y53 HydrophobicContact CD-CD1 4.16Å; K43-Y53 HydrophobicContact CD-CD2 4.27Å; K43-Y53 HydrophobicContact CD-CE1 3.9Å; K43-Y53 HydrophobicContact CD-CE2 4.01Å; K43-Y53 HydrophobicContact CD-CG 4.32Å; K43-F63 HydrophobicContact CB-CZ 4.29Å
44I86Confident75Confident114 Ų114113.6 Ų113.659%0.58554%0.543SS*.  trans-113.7137.4177.7-58172.4000107.4R42 P49R42-I44 PolarHBondContact O-N 3.13Å; I44-P49 HydrophobicContact CG2-CB 3.87Å
45S88Confident76.8Confident19 Ų19108.9 Ų108.913%0.13353%0.526CS..  trans-74.5134.3175.2171.30000109.9A47 D48S45-A47 VanDerWaalsContact C-N 3.26Å; S45-A47 PolarHBondContact O-N 3.47Å; S45-A47 PolarHBondContact OG-N 2.97Å; S45-D48 WeakPolarHBondContact CB-O 3.46Å; S45-D48 PolarHBondContact OG-N 3.3Å
46K88.7Confident78.1Confident219 Ų219108.6 Ų108.695%0.95253%0.525SS*.SBendtrans-67.3-28173.6-65.5-173.6178.9-176.40112.5
47A89.6Confident79.6Confident58 Ų58103.1 Ų103.148%0.47951%0.514SS..SBendtrans-92.5-27.7-174.500000113.5S45S45-A47 VanDerWaalsContact C-N 3.26Å; S45-A47 PolarHBondContact O-N 3.47Å; S45-A47 PolarHBondContact OG-N 2.97Å
48D90.1Very high80.8Confident16 Ų16105.5 Ų105.59%0.08652%0.517CS..  trans-148.485.2178.8-169.2-12000110.3S45 E50 S51 Y65 R258 G259S45-D48 WeakPolarHBondContact CB-O 3.46Å; S45-D48 PolarHBondContact OG-N 3.3Å; D48-E50 PolarHBondContact O-N 3.19Å; D48-E50 VanDerWaalsContact O-N 3.13Å; D48-E50 PolarHBondContact OD1-N 2.94Å; D48-S51 WeakPolarHBondContact O-CB 3.47Å; D48-S51 PolarHBondContact O-N 3.27Å; D48-S51 VanDerWaalsContact O-N 3.08Å; D48-S51 PolarHBondContact O-OG 2.91Å; D48-Y65 VanDerWaalsContact CG-OH 3.28Å; D48-Y65 PolarHBondContact OD1-OH 3.32Å; D48-Y65 VanDerWaalsContact OD1-OH 3.05Å; D48-Y65 PolarHBondContact OD2-OH 3.01Å; D48-R258 HydrophobicContact CB-CB 4.39Å; D48-R258 HydrophobicContact CB-CG 4.46Å; D48-R258 VanDerWaalsContact OD2-CA 3.24Å; D48-R258 WeakPolarHBondContact OD2-CA 3.39Å; D48-R258 WeakPolarHBondContact OD2-CB 3.28Å; D48-G259 PolarHBondContact OD1-N 3.49Å; D48-G259 PolarHBondContact OD2-N 2.89Å
49P90.5Very high81.7Confident90 Ų90108.9 Ų108.958%0.58453%0.525SS*.THydrogen-bonded Turntrans-60.7-21.1-175.2-2635.8000114.8I44 S51I44-P49 HydrophobicContact CG2-CB 3.87Å; P49-S51 VanDerWaalsContact C-N 3.32Å
50E91.8Very high82.8Confident101 Ų101105.6 Ų105.647%0.47251%0.505SS..THydrogen-bonded Turntrans-82.9-11180-60.1-168.7128.600112.8D48 Y65 P84 G259 L260D48-E50 PolarHBondContact O-N 3.19Å; D48-E50 VanDerWaalsContact O-N 3.13Å; D48-E50 PolarHBondContact OD1-N 2.94Å; E50-Y65 WeakPolarHBondContact O-CE1 3.47Å; E50-P84 WeakPolarHBondContact O-CG 3.37Å; E50-G259 WeakPolarHBondContact OE2-CA 3.26Å; E50-L260 HydrophobicContact CB-CB 4.41Å; E50-L260 PolarHBondContact OE2-N 3.4Å
51S91.6Very high83.9Confident11 Ų11103.7 Ų103.78%0.07750%0.497CS..SBendtrans-74.4140.6173.667.90000111.4D48 P49 F63 Y65D48-S51 WeakPolarHBondContact O-CB 3.47Å; D48-S51 PolarHBondContact O-N 3.27Å; D48-S51 VanDerWaalsContact O-N 3.08Å; D48-S51 PolarHBondContact O-OG 2.91Å; P49-S51 VanDerWaalsContact C-N 3.32Å; S51-F63 WeakPolarHBondContact OG-CB 3.4Å; S51-Y65 PolarHBondContact N-OH 3.27Å
52G89.7Confident84.8Confident2 Ų297.9 Ų97.92%0.02147%0.47CS..EExtended strand (participates in β ladder)trans-94.2138.5-179.200000111.9Y54 F63 A64 N86G52-Y54 PolarHBondContact O-N 2.87Å; G52-Y54 VanDerWaalsContact O-N 3.17Å; G52-F63 WeakPolarHBondContact O-CA 3.41Å; G52-A64 PolarHBondContact N-O 3.38Å; G52-A64 PolarHBondContact O-N 2.93Å; G52-N86 VanDerWaalsContact CA-OD1 3.29Å; G52-N86 WeakPolarHBondContact CA-OD1 3.46Å
53Y89.8Confident85.6Confident62 Ų6293.3 Ų93.324%0.24346%0.455CS..EExtended strand (participates in β ladder)trans-72.6107.8173.8-170.5-104.7000110.6K43 V55 F63K43-Y53 HydrophobicContact CB-CD1 4.43Å; K43-Y53 HydrophobicContact CB-CD2 4.21Å; K43-Y53 HydrophobicContact CB-CG 4.02Å; K43-Y53 HydrophobicContact CD-CD1 4.16Å; K43-Y53 HydrophobicContact CD-CD2 4.27Å; K43-Y53 HydrophobicContact CD-CE1 3.9Å; K43-Y53 HydrophobicContact CD-CE2 4.01Å; K43-Y53 HydrophobicContact CD-CG 4.32Å; Y53-V55 HydrophobicContact CD1-CG2 3.72Å; Y53-V55 HydrophobicContact CE1-CG2 3.31Å; Y53-F63 HydrophobicContact CD2-CD1 4.24Å; Y53-F63 HydrophobicContact CD2-CD2 4.43Å; Y53-F63 AromaticContact CD2-CE1 3.91Å; Y53-F63 HydrophobicContact CD2-CE1 3.91Å; Y53-F63 HydrophobicContact CD2-CE2 4.11Å; Y53-F63 HydrophobicContact CD2-CG 4.49Å; Y53-F63 AromaticContact CD2-CZ 3.84Å; Y53-F63 HydrophobicContact CD2-CZ 3.84Å; Y53-F63 HydrophobicContact CG-CE1 4.38Å
54Y87.4Confident86.1Confident78 Ų7888 Ų8831%0.30644%0.436SS..EExtended strand (participates in β ladder)trans-100.4134.1-179179.8-102.9000110.8G52 K56 Q62 G85G52-Y54 PolarHBondContact O-N 2.87Å; G52-Y54 VanDerWaalsContact O-N 3.17Å; Y54-K56 HydrophobicContact CD1-CB 4.47Å; Y54-K56 HydrophobicContact CE1-CB 3.59Å; Y54-K56 HydrophobicContact CE1-CD 4.35Å; Y54-K56 HydrophobicContact CE1-CG 4.49Å; Y54-Q62 PolarHBondContact N-O 3.34Å; Y54-Q62 PolarHBondContact O-N 3.4Å; Y54-G85 WeakPolarHBondContact CD2-O 3.48Å
55V84.4Confident86.5Confident74 Ų7484 Ų8445%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-128.7115.2179.5-177.60000109.3Y53 G57 E60 K61Y53-V55 HydrophobicContact CD1-CG2 3.72Å; Y53-V55 HydrophobicContact CE1-CG2 3.31Å; V55-G57 VanDerWaalsContact CG1-O 3.29Å; V55-G57 WeakPolarHBondContact CG1-O 3.4Å; V55-E60 WeakPolarHBondContact CA-O 3.41Å; V55-K61 HydrophobicContact CG1-CG 4.09Å; V55-K61 HydrophobicContact CG2-CG 4.25Å
56K79.6Confident86.7Confident124 Ų12484 Ų8454%0.53941%0.414SS..EExtended strand (participates in β ladder)trans-115.991.2172.3-168.8-177.6-176.3-173.70109.3Y54 E60Y54-K56 HydrophobicContact CD1-CB 4.47Å; Y54-K56 HydrophobicContact CE1-CB 3.59Å; Y54-K56 HydrophobicContact CE1-CD 4.35Å; Y54-K56 HydrophobicContact CE1-CG 4.49Å; K56-E60 HydrophobicContact CB-CB 4.11Å; K56-E60 WeakPolarHBondContact CD-OE2 3.37Å; K56-E60 PolarHBondContact N-O 3.23Å
57G76.2Confident87Confident57 Ų5775 Ų7559%0.58838%0.381SS*.THydrogen-bonded Turntrans64.6-159.9-172.400000112.5V55V55-G57 VanDerWaalsContact CG1-O 3.29Å; V55-G57 WeakPolarHBondContact CG1-O 3.4Å
58E73.9Confident87.2Confident177 Ų17772.7 Ų72.783%0.82736%0.36SS*.THydrogen-bonded Turntrans-76.3-29-175.9-68.6-179.6168.700113.6
59R71.7Confident87.4Confident244 Ų24472.7 Ų72.792%0.92136%0.36SS*.THydrogen-bonded Turntrans-87.7-32.9-167.8-65.3-176.1179.1-180-1.3114.5
60E77.7Confident87.6Confident96 Ų9669.5 Ų69.545%0.44934%0.34SS..EExtended strand (participates in β ladder)trans-109.893.5-175-69.3179.1-172.500109.9V55 K56V55-E60 WeakPolarHBondContact CA-O 3.41Å; K56-E60 HydrophobicContact CB-CB 4.11Å; K56-E60 WeakPolarHBondContact CD-OE2 3.37Å; K56-E60 PolarHBondContact N-O 3.23Å
61K86.6Confident87.7Confident122 Ų12266.1 Ų66.153%0.5333%0.328SS..EExtended strand (participates in β ladder)trans-120.3110.1175-69.1173.8-175.5170.40108.3V55V55-K61 HydrophobicContact CG1-CG 4.09Å; V55-K61 HydrophobicContact CG2-CG 4.25Å
62Q90.1Very high87.7Confident78 Ų7867.7 Ų67.736%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-152.2156.4-175.359.7-172.1-12.700112.1Y54 A64Y54-Q62 PolarHBondContact N-O 3.34Å; Y54-Q62 PolarHBondContact O-N 3.4Å; Q62-A64 HydrophobicContact CG-CB 4.48Å
63F92Very high87.8Confident81 Ų8171.9 Ų71.936%0.35536%0.357SS..EExtended strand (participates in β ladder)trans-80.3125.9166.7-71.4-78.6000109.1K43 S51 G52 Y53K43-F63 HydrophobicContact CB-CZ 4.29Å; S51-F63 WeakPolarHBondContact OG-CB 3.4Å; G52-F63 WeakPolarHBondContact O-CA 3.41Å; Y53-F63 HydrophobicContact CD2-CD1 4.24Å; Y53-F63 HydrophobicContact CD2-CD2 4.43Å; Y53-F63 AromaticContact CD2-CE1 3.91Å; Y53-F63 HydrophobicContact CD2-CE1 3.91Å; Y53-F63 HydrophobicContact CD2-CE2 4.11Å; Y53-F63 HydrophobicContact CD2-CG 4.49Å; Y53-F63 AromaticContact CD2-CZ 3.84Å; Y53-F63 HydrophobicContact CD2-CZ 3.84Å; Y53-F63 HydrophobicContact CG-CE1 4.38Å
64A92.9Very high87.8Confident24 Ų2472.8 Ų72.820%0.19837%0.366CS..EExtended strand (participates in β ladder)trans-147.1166.9-172.900000112.1G52 Q62 G85G52-A64 PolarHBondContact N-O 3.38Å; G52-A64 PolarHBondContact O-N 2.93Å; Q62-A64 HydrophobicContact CG-CB 4.48Å; A64-G85 WeakPolarHBondContact O-CA 3.45Å; A64-G85 PolarHBondContact O-N 3.06Å
65Y93.8Very high88Confident32 Ų3269.2 Ų69.213%0.12535%0.352CS..EExtended strand (participates in β ladder)trans-111.4144164-65.7-85.9000108.9D48 E50 S51 I82 T83 T255 G259 L260 V263D48-Y65 VanDerWaalsContact CG-OH 3.28Å; D48-Y65 PolarHBondContact OD1-OH 3.32Å; D48-Y65 VanDerWaalsContact OD1-OH 3.05Å; D48-Y65 PolarHBondContact OD2-OH 3.01Å; E50-Y65 WeakPolarHBondContact O-CE1 3.47Å; S51-Y65 PolarHBondContact N-OH 3.27Å; Y65-I82 HydrophobicContact CD1-CG2 4.38Å; Y65-T83 CarbonylContact C-O 3.53Å; Y65-T83 WeakPolarHBondContact CA-O 3.44Å; Y65-T255 HydrophobicContact CD2-CG2 4.02Å; Y65-G259 WeakPolarHBondContact OH-CA 3.32Å; Y65-G259 PolarHBondContact OH-N 3.26Å; Y65-L260 HydrophobicContact CD1-CD1 3.77Å; Y65-L260 HydrophobicContact CE1-CB 4.16Å; Y65-L260 HydrophobicContact CE1-CD1 3.79Å; Y65-V263 HydrophobicContact CD2-CB 4.42Å; Y65-V263 HydrophobicContact CD2-CG1 4.01Å; Y65-V263 HydrophobicContact CD2-CG2 4.09Å; Y65-V263 HydrophobicContact CE2-CB 4.46Å; Y65-V263 HydrophobicContact CE2-CG2 3.84Å; Y65-V263 HydrophobicContact CG-CG1 4.07Å
66S93Very high88.5Confident19 Ų1967.3 Ų67.313%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-101.3124.6174.6-690000109.7I82 T83S66-I82 WeakPolarHBondContact O-CA 3.4Å; S66-T83 PolarHBondContact N-O 2.95Å; S66-T83 PolarHBondContact O-N 2.8Å; S66-T83 PolarHBondContact O-OG1 3.17Å
67A93.7Very high89.2Confident30 Ų3062.1 Ų62.125%0.24832%0.316CS..EExtended strand (participates in β ladder)trans-96.4108.4172.600000110I82A67-I82 HydrophobicContact CB-CD1 3.46Å; A67-I82 VanDerWaalsContact CB-CD1 3.46Å
68H93.9Very high90Very high8 Ų861.3 Ų61.34%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-93.5113.2176.5-54.5-77.2000108.4T80 I81 T83 D89 V92 L96H68-T80 CarbonylContact O-C 3.53Å; H68-T80 VanDerWaalsContact O-CA 3.24Å; H68-T80 WeakPolarHBondContact O-CA 3.29Å; H68-T80 PolarHBondContact O-OG1 2.94Å; H68-I81 HydrophobicContact CB-CB 4.47Å; H68-I81 PolarHBondContact CD2-O 3.33Å; H68-I81 PolarHBondContact N-O 2.76Å; H68-I81 PolarHBondContact O-N 3.23Å; H68-T83 PolarHBondContact CD2-OG1 2.87Å; H68-T83 VanDerWaalsContact CD2-OG1 3.27Å; H68-T83 PolarHBondContact NE2-OG1 2.67Å; H68-D89 IonicContact CE1-OD1 3.44Å; H68-D89 PolarHBondContact CE1-OD1 3.36Å; H68-D89 VanDerWaalsContact CE1-OD1 3.29Å; H68-D89 IonicContact ND1-OD1 2.65Å; H68-V92 HydrophobicContact CB-CB 4.5Å; H68-V92 HydrophobicContact CB-CG1 3.97Å; H68-L96 HydrophobicContact CB-CD2 4.33Å; H68-L96 WeakPolarHBondContact O-CD1 3.24Å
69T94.4Very high91Very high16 Ų1653.5 Ų53.510%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-129.1135.9-168.2-50.50000111I77 S79 T80 I239 F271T69-I77 HydrophobicContact CG2-CG1 4.43Å; T69-I77 HydrophobicContact CG2-CG2 3.53Å; T69-S79 WeakPolarHBondContact CA-O 3.36Å; T69-T80 PolarHBondContact OG1-OG1 3.04Å; T69-I239 HydrophobicContact CG2-CD1 4.41Å; T69-F271 HydrophobicContact CG2-CD2 4.23Å; T69-F271 HydrophobicContact CG2-CE2 3.8Å; T69-F271 HydrophobicContact CG2-CZ 4.48Å; T69-F271 VanDerWaalsContact OG1-CE2 3.27Å; T69-F271 WeakPolarHBondContact OG1-CE2 3.43Å
70S94.7Very high92.1Very high23 Ų2343 Ų4316%0.16123%0.227CC..EExtended strand (participates in β ladder)trans-107147.2171.471.40000110.6L78 S79 S100S70-L78 PolarHBondContact O-N 3.5Å; S70-S79 PolarHBondContact N-O 2.85Å; S70-S79 PolarHBondContact OG-N 2.88Å; S70-S79 PolarHBondContact OG-OG 2.93Å; S70-S100 PolarHBondContact OG-OG 3.27Å
71C93.9Very high92.9Very high31 Ų3139.5 Ų39.521%0.20921%0.21CC..EExtended strand (participates in β ladder)trans-138.6159176.5740000111.5F76 I239 I242C71-F76 CarbonylContact C-O 3.4Å; C71-F76 WeakPolarHBondContact CA-O 3.34Å; C71-F76 WeakPolarHBondContact CB-O 3.32Å; C71-I239 HydrophobicContact CB-CD1 4.23Å; C71-I242 HydrophobicContact CB-CD1 3.49Å; C71-I242 VanDerWaalsContact CB-CD1 3.49Å
72D93.3Very high93.2Very high44 Ų4434.6 Ų34.624%0.23519%0.19CC..  trans-79.1-178.9172.280.7-15.2000112.3N74 G75 F76 L78D72-N74 PolarHBondContact O-N 2.97Å; D72-N74 WeakPolarHBondContact OD1-CA 3.3Å; D72-N74 PolarHBondContact OD1-N 3.48Å; D72-N74 PolarHBondContact OD2-ND2 2.83Å; D72-G75 PolarHBondContact O-N 3.48Å; D72-G75 VanDerWaalsContact O-N 3.07Å; D72-G75 WeakPolarHBondContact OD1-CA 3.38Å; D72-G75 PolarHBondContact OD1-N 3.24Å; D72-F76 PolarHBondContact N-O 3.45Å; D72-F76 PolarHBondContact OD1-N 2.87Å; D72-L78 HydrophobicContact CB-CD1 4.24Å; D72-L78 HydrophobicContact CB-CD2 4.25Å; D72-L78 HydrophobicContact CB-CG 4.4Å
73D90.7Very high93.4Very high89 Ų8931.5 Ų31.548%0.47618%0.176SC..THydrogen-bonded Turntrans-60.2-27.3176.5-97.431.5000114K234 T238D73-K234 IonicContact OD2-NZ 3.1Å; D73-K234 PolarHBondContact OD2-NZ 3.33Å; D73-T238 WeakPolarHBondContact O-CG2 3.26Å
74N90.1Very high93.4Very high82 Ų8229 Ų2944%0.43917%0.168SC..THydrogen-bonded Turntrans-89.6-11.2179.8-61.9-54.4000111.9D72 F76 K278 W282D72-N74 PolarHBondContact O-N 2.97Å; D72-N74 WeakPolarHBondContact OD1-CA 3.3Å; D72-N74 PolarHBondContact OD1-N 3.48Å; D72-N74 PolarHBondContact OD2-ND2 2.83Å; N74-F76 HydrophobicContact CB-CD2 3.94Å; N74-F76 HydrophobicContact CB-CE2 4.2Å; N74-K278 WeakPolarHBondContact O-CE 3.45Å; N74-K278 PolarHBondContact O-NZ 2.81Å; N74-W282 HydrophobicContact CB-CH2 3.5Å; N74-W282 VanDerWaalsContact CB-CH2 3.5Å; N74-W282 HydrophobicContact CB-CZ2 3.68Å
75G91.7Very high93.2Very high2 Ų228.1 Ų28.12%0.02116%0.161CC..  trans81.128.4-175.800000114.4D72 I242 K278D72-G75 PolarHBondContact O-N 3.48Å; D72-G75 VanDerWaalsContact O-N 3.07Å; D72-G75 WeakPolarHBondContact OD1-CA 3.38Å; D72-G75 PolarHBondContact OD1-N 3.24Å; G75-I242 VanDerWaalsContact O-CD1 3.25Å; G75-I242 WeakPolarHBondContact O-CD1 3.22Å; G75-K278 PolarHBondContact O-NZ 3.2Å
76F94.1Very high92.9Very high34 Ų3430 Ų3015%0.14917%0.174CC..  trans-75.5136.5160.5-73.7-81.2000109.4C71 D72 N74 N275 K278 L279 W282C71-F76 CarbonylContact C-O 3.4Å; C71-F76 WeakPolarHBondContact CA-O 3.34Å; C71-F76 WeakPolarHBondContact CB-O 3.32Å; D72-F76 PolarHBondContact N-O 3.45Å; D72-F76 PolarHBondContact OD1-N 2.87Å; N74-F76 HydrophobicContact CB-CD2 3.94Å; N74-F76 HydrophobicContact CB-CE2 4.2Å; F76-N275 HydrophobicContact CD1-CB 4.43Å; F76-K278 HydrophobicContact CD1-CD 4.05Å; F76-K278 HydrophobicContact CD1-CG 4.49Å; F76-K278 HydrophobicContact CD2-CD 4.49Å; F76-K278 HydrophobicContact CE1-CB 4Å; F76-K278 HydrophobicContact CE1-CD 3.92Å; F76-K278 HydrophobicContact CE1-CG 3.87Å; F76-K278 HydrophobicContact CE2-CD 4.36Å; F76-K278 HydrophobicContact CG-CD 4.33Å; F76-K278 HydrophobicContact CZ-CB 4.47Å; F76-K278 HydrophobicContact CZ-CD 4.08Å; F76-K278 HydrophobicContact CZ-CG 3.91Å; F76-L279 HydrophobicContact CE1-CB 4.26Å; F76-W282 HydrophobicContact CE2-CD2 4.08Å; F76-W282 AromaticContact CE2-CE3 3.91Å; F76-W282 HydrophobicContact CE2-CE3 3.91Å; F76-W282 AromaticContact CE2-CH2 3.9Å; F76-W282 HydrophobicContact CE2-CH2 3.9Å; F76-W282 HydrophobicContact CE2-CZ2 4.01Å; F76-W282 AromaticContact CE2-CZ3 3.81Å; F76-W282 HydrophobicContact CE2-CZ3 3.81Å; F76-W282 HydrophobicContact CZ-CD2 4.04Å; F76-W282 HydrophobicContact CZ-CE3 4.08Å; F76-W282 HydrophobicContact CZ-CZ3 4.44Å
77I95.1Very high92.5Very high16 Ų1631.7 Ų31.78%0.08218%0.181CC..EExtended strand (participates in β ladder)trans-77.4123.6179.2-59.5168.1000108.3T69 I242 F271 N275T69-I77 HydrophobicContact CG2-CG1 4.43Å; T69-I77 HydrophobicContact CG2-CG2 3.53Å; I77-I242 HydrophobicContact CD1-CG2 3.67Å; I77-I242 HydrophobicContact CG1-CD1 4.02Å; I77-I242 HydrophobicContact CG1-CG2 3.86Å; I77-F271 HydrophobicContact CD1-CB 3.58Å; I77-F271 HydrophobicContact CD1-CD1 3.69Å; I77-F271 HydrophobicContact CD1-CD2 4.05Å; I77-F271 HydrophobicContact CD1-CE1 4.34Å; I77-F271 HydrophobicContact CD1-CG 3.52Å; I77-F271 HydrophobicContact CG2-CB 4.3Å; I77-F271 HydrophobicContact CG2-CD2 4.05Å; I77-F271 HydrophobicContact CG2-CG 4.42Å; I77-N275 PolarHBondContact N-OD1 3.07Å; I77-N275 PolarHBondContact O-ND2 2.81Å
78L93.7Very high92Very high40 Ų4035.4 Ų35.421%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-95.5-48.5-177.2-59.3179.1000111.6S70 D72 F104 I107S70-L78 PolarHBondContact O-N 3.5Å; D72-L78 HydrophobicContact CB-CD1 4.24Å; D72-L78 HydrophobicContact CB-CD2 4.25Å; D72-L78 HydrophobicContact CB-CG 4.4Å; L78-F104 HydrophobicContact CB-CD2 4.23Å; L78-F104 HydrophobicContact CB-CE2 3.91Å; L78-F104 HydrophobicContact CD1-CD2 4.26Å; L78-F104 HydrophobicContact CD2-CD2 4.03Å; L78-F104 HydrophobicContact CD2-CE1 4.34Å; L78-F104 HydrophobicContact CD2-CE2 3.63Å; L78-F104 HydrophobicContact CD2-CZ 3.8Å; L78-F104 HydrophobicContact CG-CD2 4.4Å; L78-F104 HydrophobicContact CG-CE2 4.23Å; L78-I107 HydrophobicContact CD1-CD1 4.26Å
79S93.6Very high91.5Very high12 Ų1238 Ų388%0.08421%0.207CC..EExtended strand (participates in β ladder)trans-148.7152.317968.10000111T69 S70 L96 S100T69-S79 WeakPolarHBondContact CA-O 3.36Å; S70-S79 PolarHBondContact N-O 2.85Å; S70-S79 PolarHBondContact OG-N 2.88Å; S70-S79 PolarHBondContact OG-OG 2.93Å; S79-L96 WeakPolarHBondContact OG-CD1 3.28Å; S79-S100 PolarHBondContact OG-OG 2.71Å
80T94.6Very high90.9Very high25 Ų2538.3 Ų38.315%0.15321%0.209CC..EExtended strand (participates in β ladder)trans-140.4138.7175-1680000110.2H68 T69 M268 F271H68-T80 CarbonylContact O-C 3.53Å; H68-T80 VanDerWaalsContact O-CA 3.24Å; H68-T80 WeakPolarHBondContact O-CA 3.29Å; H68-T80 PolarHBondContact O-OG1 2.94Å; T69-T80 PolarHBondContact OG1-OG1 3.04Å; T80-M268 HydrophobicContact CG2-CG 3.76Å; T80-F271 HydrophobicContact CG2-CD2 3.89Å; T80-F271 HydrophobicContact CG2-CE2 4.31Å; T80-F271 WeakPolarHBondContact OG1-CE2 3.43Å
81I94.4Very high90.4Very high21 Ų2142.2 Ų42.211%0.10823%0.225CC..EExtended strand (participates in β ladder)trans-124.6123.5174.9-58.5174000107.3H68 T83 V92 Q95 L96H68-I81 HydrophobicContact CB-CB 4.47Å; H68-I81 PolarHBondContact CD2-O 3.33Å; H68-I81 PolarHBondContact N-O 2.76Å; H68-I81 PolarHBondContact O-N 3.23Å; I81-T83 HydrophobicContact CG2-CG2 4.12Å; I81-V92 HydrophobicContact CB-CG1 3.99Å; I81-V92 HydrophobicContact CD1-CG1 4Å; I81-V92 HydrophobicContact CG2-CG1 3.81Å; I81-Q95 HydrophobicContact CD1-CB 4.01Å; I81-Q95 HydrophobicContact CD1-CG 3.69Å; I81-L96 HydrophobicContact CD1-CB 4.03Å; I81-L96 HydrophobicContact CD1-CD1 4.06Å; I81-L96 HydrophobicContact CG1-CD1 3.96Å
82I94.2Very high90.1Very high19 Ų1941 Ų4110%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-97.2134.5176.1-52.7-47000109Y65 S66 A67 L260 V263 A264 T267Y65-I82 HydrophobicContact CD1-CG2 4.38Å; S66-I82 WeakPolarHBondContact O-CA 3.4Å; A67-I82 HydrophobicContact CB-CD1 3.46Å; A67-I82 VanDerWaalsContact CB-CD1 3.46Å; I82-L260 HydrophobicContact CB-CD1 4.5Å; I82-L260 HydrophobicContact CG2-CD1 4Å; I82-V263 HydrophobicContact CG2-CG1 4.22Å; I82-A264 HydrophobicContact CB-CB 4.01Å; I82-A264 HydrophobicContact CG1-CB 4.01Å; I82-T267 HydrophobicContact CD1-CG2 3.7Å; I82-T267 HydrophobicContact CG1-CG2 4.39Å
83T93.1Very high89.9Confident14 Ų1439.2 Ų39.29%0.08621%0.208CC..EExtended strand (participates in β ladder)trans-137.5160.6178.855.60000110.7Y65 S66 H68 I81 I87 V92Y65-T83 CarbonylContact C-O 3.53Å; Y65-T83 WeakPolarHBondContact CA-O 3.44Å; S66-T83 PolarHBondContact N-O 2.95Å; S66-T83 PolarHBondContact O-N 2.8Å; S66-T83 PolarHBondContact O-OG1 3.17Å; H68-T83 PolarHBondContact CD2-OG1 2.87Å; H68-T83 VanDerWaalsContact CD2-OG1 3.27Å; H68-T83 PolarHBondContact NE2-OG1 2.67Å; I81-T83 HydrophobicContact CG2-CG2 4.12Å; T83-I87 HydrophobicContact CG2-CD1 4.33Å; T83-V92 HydrophobicContact CG2-CG1 4.43Å; T83-V92 HydrophobicContact CG2-CG2 3.93Å
84P92.4Very high89.9Confident27 Ų2735.3 Ų35.318%0.17519%0.187CC..EExtended strand (participates in β ladder)trans-56.6140.6166.1-25.736.9000111.4E50 N86 I87E50-P84 WeakPolarHBondContact O-CG 3.37Å; P84-N86 WeakPolarHBondContact CB-OD1 3.33Å; P84-N86 PolarHBondContact O-N 2.98Å; P84-I87 PolarHBondContact O-N 2.85Å
85G88.2Confident89.9Confident6 Ų634.1 Ų34.16%0.06218%0.179CC..THydrogen-bonded Turntrans-63.8-7.9-173.100000116.5Y54 A64Y54-G85 WeakPolarHBondContact CD2-O 3.48Å; A64-G85 WeakPolarHBondContact O-CA 3.45Å; A64-G85 PolarHBondContact O-N 3.06Å
86N87.3Confident90Very high72 Ų7235 Ų3539%0.38518%0.183SC..THydrogen-bonded Turntrans-87.8-6.5175.562.6-49.5000113.4G52 P84G52-N86 VanDerWaalsContact CA-OD1 3.29Å; G52-N86 WeakPolarHBondContact CA-OD1 3.46Å; P84-N86 WeakPolarHBondContact CB-OD1 3.33Å; P84-N86 PolarHBondContact O-N 2.98Å
87I85.7Confident89.9Confident55 Ų5534.1 Ų34.128%0.28218%0.18SC..SBendtrans-82.2127.9175-57.9-168.4000109T83 P84 V92T83-I87 HydrophobicContact CG2-CD1 4.33Å; P84-I87 PolarHBondContact O-N 2.85Å; I87-V92 HydrophobicContact CG2-CG2 3.74Å
88H82.1Confident89.7Confident107 Ų10736 Ų3650%0.49519%0.188SC..  trans-74.6131.9179.8-170.9-87.3000111.1S90 Q91H88-S90 PolarHBondContact CE1-OG 3.33Å; H88-S90 PolarHBondContact ND1-N 3.38Å; H88-S90 PolarHBondContact ND1-OG 3.1Å; H88-S90 PolarHBondContact O-N 2.79Å; H88-S90 VanDerWaalsContact O-N 3.11Å; H88-Q91 WeakPolarHBondContact O-CB 3.43Å; H88-Q91 PolarHBondContact O-N 3.17Å
89D84.2Confident89.7Confident64 Ų6436.8 Ų36.834%0.34219%0.191SC..Hα-helixtrans-54.9-37-171.1-48-15.1000114H68 Q91 V92 A93 Y116H68-D89 IonicContact CE1-OD1 3.44Å; H68-D89 PolarHBondContact CE1-OD1 3.36Å; H68-D89 VanDerWaalsContact CE1-OD1 3.29Å; H68-D89 IonicContact ND1-OD1 2.65Å; D89-Q91 PolarHBondContact O-N 3.35Å; D89-Q91 VanDerWaalsContact O-N 3.11Å; D89-V92 PolarHBondContact O-N 2.68Å; D89-A93 PolarHBondContact O-N 3.43Å; D89-A93 VanDerWaalsContact O-N 3.1Å; D89-Y116 HydrophobicContact CB-CE1 3.78Å; D89-Y116 VanDerWaalsContact CB-OH 3.26Å; D89-Y116 WeakPolarHBondContact CB-OH 3.24Å
90S82.3Confident89.6Confident21 Ų2136.5 Ų36.515%0.14719%0.189CC..Hα-helixtrans-58.3-27.4178.568.50000113.5H88 F94H88-S90 PolarHBondContact CE1-OG 3.33Å; H88-S90 PolarHBondContact ND1-N 3.38Å; H88-S90 PolarHBondContact ND1-OG 3.1Å; H88-S90 PolarHBondContact O-N 2.79Å; H88-S90 VanDerWaalsContact O-N 3.11Å; S90-F94 VanDerWaalsContact O-CD2 3.26Å; S90-F94 WeakPolarHBondContact O-CD2 3.27Å; S90-F94 WeakPolarHBondContact O-CE2 3.48Å
91Q82.8Confident89.5Confident106 Ų10638.1 Ų38.150%0.49519%0.193SC..Hα-helixtrans-75.1-28.9178.9-59.6-178.88.700112.3M1 H88 D89M1-Q91 HydrophobicContact CE-CB 4.34Å; H88-Q91 WeakPolarHBondContact O-CB 3.43Å; H88-Q91 PolarHBondContact O-N 3.17Å; D89-Q91 PolarHBondContact O-N 3.35Å; D89-Q91 VanDerWaalsContact O-N 3.11Å
92V88.1Confident89.4Confident6 Ų646.3 Ų46.34%0.03622%0.223CC..Hα-helixtrans-88.1-26.1-178.2-171.60000111.1H68 I81 T83 I87 D89 F94 Q95 L96H68-V92 HydrophobicContact CB-CB 4.5Å; H68-V92 HydrophobicContact CB-CG1 3.97Å; I81-V92 HydrophobicContact CB-CG1 3.99Å; I81-V92 HydrophobicContact CD1-CG1 4Å; I81-V92 HydrophobicContact CG2-CG1 3.81Å; T83-V92 HydrophobicContact CG2-CG1 4.43Å; T83-V92 HydrophobicContact CG2-CG2 3.93Å; I87-V92 HydrophobicContact CG2-CG2 3.74Å; D89-V92 PolarHBondContact O-N 2.68Å; V92-F94 VanDerWaalsContact C-N 3.27Å; V92-F94 PolarHBondContact O-N 3.48Å; V92-F94 VanDerWaalsContact O-N 3.17Å; V92-Q95 PolarHBondContact O-N 3.47Å; V92-L96 PolarHBondContact O-N 2.78Å
93A89.7Confident89.3Confident6 Ų650.2 Ų50.25%0.0524%0.244CC..Hα-helixtrans-50.1-42.7-179.200000113.8D89 Q95 L96 V97 Y116 F121D89-A93 PolarHBondContact O-N 3.43Å; D89-A93 VanDerWaalsContact O-N 3.1Å; A93-Q95 PolarHBondContact O-N 2.89Å; A93-L96 PolarHBondContact O-N 3.12Å; A93-V97 VanDerWaalsContact O-CG2 3.32Å; A93-V97 WeakPolarHBondContact O-CG2 3.32Å; A93-V97 PolarHBondContact O-N 2.87Å; A93-Y116 HydrophobicContact CB-CD1 3.61Å; A93-Y116 HydrophobicContact CB-CE1 3.74Å; A93-F121 HydrophobicContact CB-CD2 4.07Å; A93-F121 HydrophobicContact CB-CE2 3.57Å; A93-F121 HydrophobicContact CB-CZ 4.12Å
94F90.8Very high89.3Confident6 Ų652.7 Ų52.73%0.02625%0.253CS..Hα-helixtrans-56.4-50.7178.1-60.9-91.1000112.1M1 S90 V92 V97 K98 K120 F121 F124M1-F94 HydrophobicContact CE-CD2 4.1Å; M1-F94 HydrophobicContact CE-CE2 4.42Å; M1-F94 HydrophobicContact CG-CB 3.86Å; M1-F94 HydrophobicContact CG-CD2 4.35Å; M1-F94 HydrophobicContact CG-CG 4.32Å; M1-F94 HydrophobicContact SD-CB 4.16Å; M1-F94 HydrophobicContact SD-CD2 3.86Å; M1-F94 HydrophobicContact SD-CE2 4.47Å; M1-F94 HydrophobicContact SD-CG 3.99Å; S90-F94 VanDerWaalsContact O-CD2 3.26Å; S90-F94 WeakPolarHBondContact O-CD2 3.27Å; S90-F94 WeakPolarHBondContact O-CE2 3.48Å; V92-F94 VanDerWaalsContact C-N 3.27Å; V92-F94 PolarHBondContact O-N 3.48Å; V92-F94 VanDerWaalsContact O-N 3.17Å; F94-V97 PolarHBondContact O-N 2.82Å; F94-K98 WeakPolarHBondContact O-CG 3.44Å; F94-K98 PolarHBondContact O-N 3.27Å; F94-K120 HydrophobicContact CE1-CG 4.17Å; F94-K120 HydrophobicContact CZ-CB 4.31Å; F94-K120 HydrophobicContact CZ-CD 4.19Å; F94-K120 HydrophobicContact CZ-CG 3.82Å; F94-F121 HydrophobicContact CD1-CD2 4.43Å; F94-F121 HydrophobicContact CE1-CD2 4.17Å; F94-F121 HydrophobicContact CE2-CD2 4.47Å; F94-F121 HydrophobicContact CZ-CB 4.16Å; F94-F121 HydrophobicContact CZ-CD2 4.18Å; F94-F124 HydrophobicContact CB-CE1 4.35Å; F94-F124 HydrophobicContact CB-CZ 4.39Å; F94-F124 HydrophobicContact CD1-CB 3.73Å; F94-F124 AromaticContact CD1-CD1 3.49Å; F94-F124 HydrophobicContact CD1-CD1 3.49Å; F94-F124 VanDerWaalsContact CD1-CD1 3.49Å; F94-F124 AromaticContact CD1-CD2 3.87Å; F94-F124 HydrophobicContact CD1-CD2 3.87Å; F94-F124 HydrophobicContact CD1-CE1 4.03Å; F94-F124 HydrophobicContact CD1-CE2 4.36Å; F94-F124 AromaticContact CD1-CG 3.38Å; F94-F124 HydrophobicContact CD1-CG 3.38Å; F94-F124 HydrophobicContact CD1-CZ 4.42Å; F94-F124 HydrophobicContact CE1-CB 3.51Å; F94-F124 AromaticContact CE1-CD1 3.98Å; F94-F124 HydrophobicContact CE1-CD1 3.98Å; F94-F124 HydrophobicContact CE1-CD2 4.49Å; F94-F124 AromaticContact CE1-CG 3.74Å; F94-F124 HydrophobicContact CE1-CG 3.74Å; F94-F124 HydrophobicContact CG-CD1 4.36Å; F94-F124 WeakPolarHBondContact O-CZ 3.36Å
95Q90.6Very high89.3Confident58 Ų5855.6 Ų55.627%0.27127%0.272SS..Hα-helixtrans-67.7-39.5-178.9-176.9179.2-1500111.2I81 V92 A93 K98 Q99I81-Q95 HydrophobicContact CD1-CB 4.01Å; I81-Q95 HydrophobicContact CD1-CG 3.69Å; V92-Q95 PolarHBondContact O-N 3.47Å; A93-Q95 PolarHBondContact O-N 2.89Å; Q95-K98 PolarHBondContact O-N 2.69Å; Q95-Q99 WeakPolarHBondContact O-CB 3.42Å; Q95-Q99 WeakPolarHBondContact O-CG 3.23Å; Q95-Q99 PolarHBondContact O-N 3.04Å
96L92.7Very high89.4Confident19 Ų1961.7 Ų61.710%0.09930%0.299CS..Hα-helixtrans-61.6-47.9178.1-171.771000111.2H68 S79 I81 V92 A93 Q99 S100H68-L96 HydrophobicContact CB-CD2 4.33Å; H68-L96 WeakPolarHBondContact O-CD1 3.24Å; S79-L96 WeakPolarHBondContact OG-CD1 3.28Å; I81-L96 HydrophobicContact CD1-CB 4.03Å; I81-L96 HydrophobicContact CD1-CD1 4.06Å; I81-L96 HydrophobicContact CG1-CD1 3.96Å; V92-L96 PolarHBondContact O-N 2.78Å; A93-L96 PolarHBondContact O-N 3.12Å; L96-Q99 PolarHBondContact O-N 3.3Å; L96-S100 PolarHBondContact O-N 3.02Å; L96-S100 PolarHBondContact O-OG 3.36Å; L96-S100 VanDerWaalsContact O-OG 3.09Å
97V93Very high89.6Confident16 Ų1660 Ų6010%0.09729%0.29CS..Hα-helixtrans-62.5-44177.7171.40000111.1A93 F94 Q99 S100 K101 V110 F121 F124 L125 L128 L130A93-V97 VanDerWaalsContact O-CG2 3.32Å; A93-V97 WeakPolarHBondContact O-CG2 3.32Å; A93-V97 PolarHBondContact O-N 2.87Å; F94-V97 PolarHBondContact O-N 2.82Å; V97-Q99 PolarHBondContact O-N 2.92Å; V97-S100 PolarHBondContact O-N 3.21Å; V97-K101 WeakPolarHBondContact O-CB 3.34Å; V97-K101 PolarHBondContact O-N 2.92Å; V97-V110 HydrophobicContact CG1-CG2 4.25Å; V97-V110 HydrophobicContact CG2-CG1 4.18Å; V97-V110 HydrophobicContact CG2-CG2 4.43Å; V97-F121 HydrophobicContact CG2-CE2 4.29Å; V97-F121 HydrophobicContact CG2-CZ 4.24Å; V97-F124 HydrophobicContact CB-CE1 3.87Å; V97-F124 HydrophobicContact CB-CZ 4.27Å; V97-F124 HydrophobicContact CG1-CE1 3.85Å; V97-F124 HydrophobicContact CG1-CZ 4.17Å; V97-F124 HydrophobicContact CG2-CE1 4.48Å; V97-L125 HydrophobicContact CG1-CD2 4.05Å; V97-L125 HydrophobicContact CG2-CD2 4.47Å; V97-L128 HydrophobicContact CG1-CD1 4.26Å; V97-L130 HydrophobicContact CG1-CD1 3.58Å
98K91.4Very high90Very high56 Ų5663.1 Ų63.124%0.24331%0.307CS..Hα-helixtrans-58.9-47.7175.6-76-177.4177.9177.50112E5 F94 Q95 S100 K101 R102 F124E5-K98 IonicContact OE1-NZ 2.64Å; E5-K98 PolarHBondContact OE1-NZ 3.01Å; E5-K98 IonicContact OE2-NZ 2.89Å; E5-K98 PolarHBondContact OE2-NZ 3.46Å; F94-K98 WeakPolarHBondContact O-CG 3.44Å; F94-K98 PolarHBondContact O-N 3.27Å; Q95-K98 PolarHBondContact O-N 2.69Å; K98-S100 VanDerWaalsContact C-N 3.33Å; K98-S100 PolarHBondContact O-N 3.44Å; K98-K101 PolarHBondContact O-N 3.42Å; K98-R102 WeakPolarHBondContact O-CB 3.36Å; K98-R102 PolarHBondContact O-N 2.96Å; K98-F124 HydrophobicContact CD-CE2 4.44Å; K98-F124 HydrophobicContact CG-CE2 4.1Å; K98-F124 HydrophobicContact CG-CZ 3.84Å
99Q92.1Very high90.6Very high57 Ų5759.2 Ų59.227%0.26629%0.291SS..Hα-helixtrans-60.1-44.9178.6-76.2-178.7-10.200111.3Q95 L96 V97 R102 L103Q95-Q99 WeakPolarHBondContact O-CB 3.42Å; Q95-Q99 WeakPolarHBondContact O-CG 3.23Å; Q95-Q99 PolarHBondContact O-N 3.04Å; L96-Q99 PolarHBondContact O-N 3.3Å; V97-Q99 PolarHBondContact O-N 2.92Å; Q99-R102 PolarHBondContact O-N 3.01Å; Q99-L103 WeakPolarHBondContact O-CG 3.45Å; Q99-L103 PolarHBondContact O-N 3.43Å; Q99-L103 VanDerWaalsContact O-N 3.16Å
100S92.9Very high91.1Very high6 Ų657.1 Ų57.14%0.04228%0.281CS..Hα-helixtrans-65-46177.7-58.80000112.2S70 S79 L96 V97 K98 R102 L103 F104S70-S100 PolarHBondContact OG-OG 3.27Å; S79-S100 PolarHBondContact OG-OG 2.71Å; L96-S100 PolarHBondContact O-N 3.02Å; L96-S100 PolarHBondContact O-OG 3.36Å; L96-S100 VanDerWaalsContact O-OG 3.09Å; V97-S100 PolarHBondContact O-N 3.21Å; K98-S100 VanDerWaalsContact C-N 3.33Å; K98-S100 PolarHBondContact O-N 3.44Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact O-N 3.28Å; S100-L103 PolarHBondContact O-N 2.89Å; S100-F104 WeakPolarHBondContact O-CB 3.45Å; S100-F104 PolarHBondContact O-N 3.25Å
101K91.9Very high91.6Very high59 Ų5958.6 Ų58.626%0.25729%0.289SS..Hα-helixtrans-64.9-33.6179-17660.6168.3179.40112.7V97 K98 F104 P105 I107 L130V97-K101 WeakPolarHBondContact O-CB 3.34Å; V97-K101 PolarHBondContact O-N 2.92Å; K98-K101 PolarHBondContact O-N 3.42Å; K101-F104 CarbonylContact O-C 3.5Å; K101-P105 PolarHBondContact NZ-O 2.76Å; K101-P105 WeakPolarHBondContact O-CA 3.34Å; K101-I107 HydrophobicContact CD-CB 4.29Å; K101-I107 PolarHBondContact NZ-O 3.16Å; K101-L130 HydrophobicContact CD-CD2 4.22Å
102R92.6Very high92.1Very high193 Ų19354.1 Ų54.173%0.72827%0.27SS*.Hα-helixtrans-66.7-40.7174.5-174.2-178.170.3171.93.5112.1K98 Q99 S100K98-R102 WeakPolarHBondContact O-CB 3.36Å; K98-R102 PolarHBondContact O-N 2.96Å; Q99-R102 PolarHBondContact O-N 3.01Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact O-N 3.28Å
103L91.8Very high92.3Very high101 Ų10157.3 Ų57.353%0.52929%0.287SS..Hα-helixtrans-78.1-32.4179.5-68.4172000112.3Q99 S100Q99-L103 WeakPolarHBondContact O-CG 3.45Å; Q99-L103 PolarHBondContact O-N 3.43Å; Q99-L103 VanDerWaalsContact O-N 3.16Å; S100-L103 PolarHBondContact O-N 2.89Å
104F92.6Very high92.2Very high65 Ų6558.7 Ų58.729%0.28530%0.298SS..  trans-132.482.4-175.5-57.6-77.7000109.6L78 S100 K101 E106 I107L78-F104 HydrophobicContact CB-CD2 4.23Å; L78-F104 HydrophobicContact CB-CE2 3.91Å; L78-F104 HydrophobicContact CD1-CD2 4.26Å; L78-F104 HydrophobicContact CD2-CD2 4.03Å; L78-F104 HydrophobicContact CD2-CE1 4.34Å; L78-F104 HydrophobicContact CD2-CE2 3.63Å; L78-F104 HydrophobicContact CD2-CZ 3.8Å; L78-F104 HydrophobicContact CG-CD2 4.4Å; L78-F104 HydrophobicContact CG-CE2 4.23Å; S100-F104 WeakPolarHBondContact O-CB 3.45Å; S100-F104 PolarHBondContact O-N 3.25Å; K101-F104 CarbonylContact O-C 3.5Å; F104-E106 VanDerWaalsContact CA-OE2 3.24Å; F104-E106 WeakPolarHBondContact CA-OE2 3.2Å; F104-E106 WeakPolarHBondContact CD1-OE1 3.45Å; F104-E106 PolarHBondContact O-N 3.37Å; F104-E106 VanDerWaalsContact O-N 3.14Å; F104-I107 HydrophobicContact CB-CD1 3.74Å; F104-I107 HydrophobicContact CB-CG1 3.92Å; F104-I107 VanDerWaalsContact O-CG1 3.32Å; F104-I107 WeakPolarHBondContact O-CG1 3.45Å; F104-I107 PolarHBondContact O-N 3.35Å
105P92.1Very high92Very high89 Ų8960.6 Ų60.658%0.57832%0.319SS*.THydrogen-bonded Turntrans-59.8-21.2-178.2-24.936000114.3K101 I107K101-P105 PolarHBondContact NZ-O 2.76Å; K101-P105 WeakPolarHBondContact O-CA 3.34Å; P105-I107 VanDerWaalsContact C-N 3.26Å; P105-I107 PolarHBondContact O-N 3.47Å
106E91.3Very high92Very high134 Ų13460.1 Ų60.163%0.62632%0.315SS*.THydrogen-bonded Turntrans-71.1-13.5-179.969.2-83.9-164.300114.4F104 N108F104-E106 VanDerWaalsContact CA-OE2 3.24Å; F104-E106 WeakPolarHBondContact CA-OE2 3.2Å; F104-E106 WeakPolarHBondContact CD1-OE1 3.45Å; F104-E106 PolarHBondContact O-N 3.37Å; F104-E106 VanDerWaalsContact O-N 3.14Å; E106-N108 PolarHBondContact O-N 3.07Å
107I92Very high91.8Very high36 Ų3660.8 Ų60.819%0.18532%0.318CS..  trans-60125.1179.9-64.9170.6000110L78 K101 F104 P105 L130L78-I107 HydrophobicContact CD1-CD1 4.26Å; K101-I107 HydrophobicContact CD-CB 4.29Å; K101-I107 PolarHBondContact NZ-O 3.16Å; F104-I107 HydrophobicContact CB-CD1 3.74Å; F104-I107 HydrophobicContact CB-CG1 3.92Å; F104-I107 VanDerWaalsContact O-CG1 3.32Å; F104-I107 WeakPolarHBondContact O-CG1 3.45Å; F104-I107 PolarHBondContact O-N 3.35Å; P105-I107 VanDerWaalsContact C-N 3.26Å; P105-I107 PolarHBondContact O-N 3.47Å; I107-L130 HydrophobicContact CG2-CD2 4.22Å; I107-L130 WeakPolarHBondContact O-CD2 3.25Å
108N93.7Very high91.7Very high121 Ų12162.1 Ų62.165%0.64733%0.326SS*.  trans-123.6-19.3-17763.79.7000114.8E106 R131E106-N108 PolarHBondContact O-N 3.07Å; N108-R131 WeakPolarHBondContact O-CB 3.37Å; N108-R131 PolarHBondContact O-N 3.03Å
109C93.6Very high91.7Very high25 Ų2560.7 Ų60.717%0.16932%0.322CS..EExtended strand (participates in β ladder)trans-127.8145.5173.2152.90000110R131 C133C109-R131 CarbonylContact C-O 3.57Å; C109-R131 VanDerWaalsContact CA-O 3.23Å; C109-R131 WeakPolarHBondContact CA-O 3.47Å; C109-R131 HydrophobicContact CB-CB 4.09Å; C109-C133 WeakPolarHBondContact CB-SG 3.24Å; C109-C133 WeakPolarHBondContact SG-CB 3.32Å; C109-C133 CovalentContact SG-SG 2.09Å; C109-C133 PolarHBondContact SG-SG 2.85Å
110V94.7Very high91.6Very high19 Ų1960 Ų6012%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-118.5121172.7175.10000109.3V97 F121 L125 L130 R131 C133V97-V110 HydrophobicContact CG1-CG2 4.25Å; V97-V110 HydrophobicContact CG2-CG1 4.18Å; V97-V110 HydrophobicContact CG2-CG2 4.43Å; V110-F121 HydrophobicContact CG1-CZ 4.31Å; V110-L125 HydrophobicContact CB-CD1 4.19Å; V110-L125 HydrophobicContact CB-CD2 3.97Å; V110-L125 HydrophobicContact CG1-CD1 4.36Å; V110-L125 HydrophobicContact CG1-CD2 4.22Å; V110-L125 HydrophobicContact CG2-CD2 3.78Å; V110-L130 HydrophobicContact CG2-CB 4.33Å; V110-L130 HydrophobicContact CG2-CD1 3.92Å; V110-R131 PolarHBondContact N-O 3.45Å; V110-C133 WeakPolarHBondContact O-CB 3.07Å; V110-C133 PolarHBondContact O-N 3.17Å
111V94.1Very high91.5Very high53 Ų5359.9 Ų59.932%0.32132%0.317SS..EExtended strand (participates in β ladder)trans-98.3125.4174.4-172.70000109C133 I231 Y232 R235V111-C133 WeakPolarHBondContact CA-O 3.48Å; V111-C133 HydrophobicContact CB-CB 4.42Å; V111-C133 HydrophobicContact CG2-CB 3.83Å; V111-I231 HydrophobicContact CG2-CG2 3.46Å; V111-I231 VanDerWaalsContact CG2-CG2 3.46Å; V111-Y232 HydrophobicContact CG1-CD2 3.81Å; V111-Y232 HydrophobicContact CG1-CE2 4.14Å; V111-R235 HydrophobicContact CG1-CB 4.32Å; V111-R235 HydrophobicContact CG1-CG 4.29Å
112A93.2Very high91.6Very high12 Ų1257.1 Ų57.110%0.09931%0.305CS..  trans-141.8164.2176.800000111.8Y116 F121 L134 P135A112-Y116 HydrophobicContact CB-CD2 3.95Å; A112-Y116 HydrophobicContact CB-CG 3.94Å; A112-F121 HydrophobicContact CB-CE1 4.28Å; A112-L134 HydrophobicContact CB-CD2 3.66Å; A112-P135 VanDerWaalsContact O-CD 3.23Å; A112-P135 WeakPolarHBondContact O-CD 3.29Å
113D90.8Very high91.6Very high73 Ų7349.8 Ų49.839%0.3928%0.279SS..  trans-74.3167178-165.230.4000113.1G115 Y116 R235D113-G115 PolarHBondContact O-N 2.93Å; D113-G115 VanDerWaalsContact O-N 3.13Å; D113-Y116 HydrophobicContact CB-CD2 3.95Å; D113-Y116 HydrophobicContact CB-CE2 4.13Å; D113-Y116 PolarHBondContact O-N 3.47Å; D113-R235 VanDerWaalsContact CB-NH1 3.29Å; D113-R235 VanDerWaalsContact CG-NH1 3.26Å; D113-R235 IonicContact OD1-CZ 3.97Å; D113-R235 IonicContact OD1-NH1 3.53Å; D113-R235 PolarHBondContact OD1-NH1 3.05Å; D113-R235 IonicContact OD1-NH2 2.63Å
114A89.1Confident91.7Very high34 Ų3445 Ų4528%0.28125%0.254SS..G310 helixtrans-54.8-32.2178.400000112.9Y116 K117 P135A114-Y116 PolarHBondContact O-N 3.31Å; A114-K117 WeakPolarHBondContact O-CB 3.29Å; A114-K117 PolarHBondContact O-N 3.4Å; A114-K117 VanDerWaalsContact O-N 3.14Å; A114-P135 HydrophobicContact CB-CG 3.76Å; A114-P135 VanDerWaalsContact N-CG 3.3Å
115G86.6Confident91.7Very high46 Ų4641.9 Ų41.947%0.47424%0.24SC..G310 helixtrans-63-20.1176.800000114.9D113D113-G115 PolarHBondContact O-N 2.93Å; D113-G115 VanDerWaalsContact O-N 3.13Å
116Y89.1Confident91.7Very high48 Ų4840.2 Ų40.219%0.18823%0.228CC..G310 helixtrans-92.5-10.5178.2-61.2-91.4000112.9D89 A93 A112 D113 A114 T118 F121D89-Y116 HydrophobicContact CB-CE1 3.78Å; D89-Y116 VanDerWaalsContact CB-OH 3.26Å; D89-Y116 WeakPolarHBondContact CB-OH 3.24Å; A93-Y116 HydrophobicContact CB-CD1 3.61Å; A93-Y116 HydrophobicContact CB-CE1 3.74Å; A112-Y116 HydrophobicContact CB-CD2 3.95Å; A112-Y116 HydrophobicContact CB-CG 3.94Å; D113-Y116 HydrophobicContact CB-CD2 3.95Å; D113-Y116 HydrophobicContact CB-CE2 4.13Å; D113-Y116 PolarHBondContact O-N 3.47Å; A114-Y116 PolarHBondContact O-N 3.31Å; Y116-T118 PolarHBondContact O-N 2.92Å; Y116-F121 WeakPolarHBondContact O-CB 3.21Å; Y116-F121 VanDerWaalsContact O-CD1 3.25Å; Y116-F121 WeakPolarHBondContact O-CD1 3.4Å
117K89.7Confident91.7Very high34 Ų3439.5 Ų39.515%0.14823%0.225CC..  trans-7279.7-179.2-174.2173.5-177179.70110.4A114 L134 M216 E220A114-K117 WeakPolarHBondContact O-CB 3.29Å; A114-K117 PolarHBondContact O-N 3.4Å; A114-K117 VanDerWaalsContact O-N 3.14Å; K117-L134 HydrophobicContact CB-CD1 4.18Å; K117-L134 HydrophobicContact CD-CB 4.48Å; K117-L134 HydrophobicContact CG-CD1 4.11Å; K117-M216 HydrophobicContact CD-CE 4.39Å; K117-M216 HydrophobicContact CG-CE 3.8Å; K117-E220 IonicContact NZ-OE2 3.43Å; K117-E220 PolarHBondContact NZ-OE2 2.76Å
118T89.5Confident91.7Very high43 Ų4340.1 Ų40.126%0.26423%0.228SC..  trans-122.6146.9176.862.60000109.6Y116 K120 F121 V122Y116-T118 PolarHBondContact O-N 2.92Å; T118-K120 PolarHBondContact O-N 2.91Å; T118-F121 PolarHBondContact O-N 3.28Å; T118-F121 VanDerWaalsContact O-N 3.09Å; T118-F121 VanDerWaalsContact OG1-CB 3.22Å; T118-F121 WeakPolarHBondContact OG1-CB 3.38Å; T118-F121 PolarHBondContact OG1-N 2.78Å; T118-V122 WeakPolarHBondContact O-CG2 3.41Å; T118-V122 PolarHBondContact O-N 2.76Å
119P91.4Very high91.7Very high26 Ų2641.4 Ų41.417%0.16924%0.235CC..Hα-helixtrans-54.1-41.7177.8-26.834.6000112.6F121 V122 H123 H210 W212 M216P119-F121 PolarHBondContact O-N 2.92Å; P119-V122 PolarHBondContact O-N 2.83Å; P119-H123 WeakPolarHBondContact O-CB 3.49Å; P119-H123 PolarHBondContact O-N 3.21Å; P119-H210 HydrophobicContact CB-CB 4.46Å; P119-H210 WeakPolarHBondContact CB-ND1 3.12Å; P119-H210 HydrophobicContact CG-CB 4.08Å; P119-W212 HydrophobicContact CB-CB 4.32Å; P119-W212 HydrophobicContact CB-CE3 4.09Å; P119-M216 HydrophobicContact CB-CG 4.33Å; P119-M216 HydrophobicContact CB-SD 4.36Å; P119-M216 HydrophobicContact CG-CG 4.14Å; P119-M216 HydrophobicContact CG-SD 4.15Å
120K90.7Very high91.7Very high43 Ų4340.4 Ų40.419%0.18723%0.228CC..Hα-helixtrans-59.9-43.2177-167.9176-174.5162.90113.1A6 F94 T118 F124 W212A6-K120 PolarHBondContact O-NZ 3.49Å; A6-K120 VanDerWaalsContact O-NZ 3.16Å; F94-K120 HydrophobicContact CE1-CG 4.17Å; F94-K120 HydrophobicContact CZ-CB 4.31Å; F94-K120 HydrophobicContact CZ-CD 4.19Å; F94-K120 HydrophobicContact CZ-CG 3.82Å; T118-K120 PolarHBondContact O-N 2.91Å; K120-F124 WeakPolarHBondContact O-CB 3.33Å; K120-F124 PolarHBondContact O-N 3.49Å; K120-W212 HydrophobicContact CB-CZ3 3.96Å; K120-W212 HydrophobicContact CG-CZ3 4.19Å
121F91.6Very high91.7Very high3 Ų342.9 Ų42.91%0.01324%0.236CC..Hα-helixtrans-70.5-38.6179.1-173.8-116.2000112A93 F94 V97 V110 A112 Y116 T118 P119 F124 L125A93-F121 HydrophobicContact CB-CD2 4.07Å; A93-F121 HydrophobicContact CB-CE2 3.57Å; A93-F121 HydrophobicContact CB-CZ 4.12Å; F94-F121 HydrophobicContact CD1-CD2 4.43Å; F94-F121 HydrophobicContact CE1-CD2 4.17Å; F94-F121 HydrophobicContact CE2-CD2 4.47Å; F94-F121 HydrophobicContact CZ-CB 4.16Å; F94-F121 HydrophobicContact CZ-CD2 4.18Å; V97-F121 HydrophobicContact CG2-CE2 4.29Å; V97-F121 HydrophobicContact CG2-CZ 4.24Å; V110-F121 HydrophobicContact CG1-CZ 4.31Å; A112-F121 HydrophobicContact CB-CE1 4.28Å; Y116-F121 WeakPolarHBondContact O-CB 3.21Å; Y116-F121 VanDerWaalsContact O-CD1 3.25Å; Y116-F121 WeakPolarHBondContact O-CD1 3.4Å; T118-F121 PolarHBondContact O-N 3.28Å; T118-F121 VanDerWaalsContact O-N 3.09Å; T118-F121 VanDerWaalsContact OG1-CB 3.22Å; T118-F121 WeakPolarHBondContact OG1-CB 3.38Å; T118-F121 PolarHBondContact OG1-N 2.78Å; P119-F121 PolarHBondContact O-N 2.92Å; F121-F124 HydrophobicContact CD2-CD1 4.07Å; F121-F124 HydrophobicContact CE2-CD1 4.11Å; F121-F124 HydrophobicContact CE2-CE1 4.38Å; F121-F124 WeakPolarHBondContact O-CB 3.32Å; F121-F124 PolarHBondContact O-N 2.9Å; F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.63Å; F121-L125 HydrophobicContact CE1-CG 4.24Å; F121-L125 HydrophobicContact CE2-CD2 4.46Å; F121-L125 HydrophobicContact CE2-CG 4.49Å; F121-L125 HydrophobicContact CZ-CD1 4Å; F121-L125 HydrophobicContact CZ-CD2 4.2Å; F121-L125 HydrophobicContact CZ-CG 4.22Å; F121-L125 WeakPolarHBondContact O-CG 3.39Å; F121-L125 PolarHBondContact O-N 3.08Å
122V93.2Very high91.8Very high1 Ų140.8 Ų40.81%0.00622%0.223CC..Hα-helixtrans-64.7-49175.6174.90000110.7T118 P119 F124 L125 T126 L134 L215 M216 V219T118-V122 WeakPolarHBondContact O-CG2 3.41Å; T118-V122 PolarHBondContact O-N 2.76Å; P119-V122 PolarHBondContact O-N 2.83Å; V122-F124 VanDerWaalsContact C-N 3.25Å; V122-F124 PolarHBondContact O-N 3.49Å; V122-L125 PolarHBondContact O-N 2.87Å; V122-T126 PolarHBondContact O-N 2.87Å; V122-T126 PolarHBondContact O-OG1 3.3Å; V122-T126 VanDerWaalsContact O-OG1 3.12Å; V122-L134 HydrophobicContact CG2-CD1 3.93Å; V122-L215 HydrophobicContact CG1-CB 3.86Å; V122-M216 HydrophobicContact CB-SD 4.23Å; V122-M216 HydrophobicContact CG2-SD 3.76Å; V122-V219 HydrophobicContact CB-CG2 4.31Å; V122-V219 HydrophobicContact CG1-CG2 3.42Å; V122-V219 VanDerWaalsContact CG1-CG2 3.42Å; V122-V219 HydrophobicContact CG2-CG2 3.86Å
123H93.1Very high91.8Very high39 Ų3940.3 Ų40.318%0.18122%0.219CC..Hα-helixtrans-53.4-44.5175.6-178.4-96.1000111.9E12 P119 T126 H127 W212 L215E12-H123 IonicContact OE2-CE1 3.68Å; P119-H123 WeakPolarHBondContact O-CB 3.49Å; P119-H123 PolarHBondContact O-N 3.21Å; H123-T126 PolarHBondContact O-N 3.39Å; H123-H127 PolarHBondContact O-N 3.47Å; H123-W212 HydrophobicContact CB-CD2 3.83Å; H123-W212 HydrophobicContact CB-CE3 3.76Å; H123-W212 HydrophobicContact CB-CG 4.35Å; H123-W212 HydrophobicContact CB-CH2 4.39Å; H123-W212 HydrophobicContact CB-CZ2 4.45Å; H123-W212 HydrophobicContact CB-CZ3 4.09Å; H123-W212 AromaticContact CD2-CD1 3.79Å; H123-W212 AromaticContact CD2-CD2 3.86Å; H123-W212 AromaticContact CD2-CE2 3.51Å; H123-W212 AromaticContact CD2-CZ2 3.97Å; H123-W212 AromaticContact CD2-NE1 3.48Å; H123-W212 PolarHBondContact CD2-NE1 3.18Å; H123-W212 AromaticContact CE1-CZ2 3.86Å; H123-W212 AromaticContact CG-CD2 3.84Å; H123-W212 AromaticContact CG-CE2 3.68Å; H123-W212 AromaticContact CG-CZ2 3.82Å; H123-W212 AromaticContact ND1-CZ2 3.76Å; H123-W212 AromaticContact NE2-CE2 3.85Å; H123-W212 AromaticContact NE2-NE1 3.7Å; H123-L215 HydrophobicContact CB-CD1 3.97Å
124F92.7Very high91.9Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-60.2-44.9174.6164.6-108.9000113.8Y9 F94 V97 K98 K120 F121 V122 H127 L128Y9-F124 HydrophobicContact CE1-CB 4.43Å; Y9-F124 HydrophobicContact CE1-CD2 4.31Å; Y9-F124 AromaticContact CE2-CD2 3.9Å; Y9-F124 HydrophobicContact CE2-CD2 3.9Å; Y9-F124 HydrophobicContact CE2-CE2 4.45Å; Y9-F124 AromaticContact CZ-CD2 3.53Å; Y9-F124 WeakPolarHBondContact OH-CD2 3.42Å; F94-F124 HydrophobicContact CB-CE1 4.35Å; F94-F124 HydrophobicContact CB-CZ 4.39Å; F94-F124 HydrophobicContact CD1-CB 3.73Å; F94-F124 AromaticContact CD1-CD1 3.49Å; F94-F124 HydrophobicContact CD1-CD1 3.49Å; F94-F124 VanDerWaalsContact CD1-CD1 3.49Å; F94-F124 AromaticContact CD1-CD2 3.87Å; F94-F124 HydrophobicContact CD1-CD2 3.87Å; F94-F124 HydrophobicContact CD1-CE1 4.03Å; F94-F124 HydrophobicContact CD1-CE2 4.36Å; F94-F124 AromaticContact CD1-CG 3.38Å; F94-F124 HydrophobicContact CD1-CG 3.38Å; F94-F124 HydrophobicContact CD1-CZ 4.42Å; F94-F124 HydrophobicContact CE1-CB 3.51Å; F94-F124 AromaticContact CE1-CD1 3.98Å; F94-F124 HydrophobicContact CE1-CD1 3.98Å; F94-F124 HydrophobicContact CE1-CD2 4.49Å; F94-F124 AromaticContact CE1-CG 3.74Å; F94-F124 HydrophobicContact CE1-CG 3.74Å; F94-F124 HydrophobicContact CG-CD1 4.36Å; F94-F124 WeakPolarHBondContact O-CZ 3.36Å; V97-F124 HydrophobicContact CB-CE1 3.87Å; V97-F124 HydrophobicContact CB-CZ 4.27Å; V97-F124 HydrophobicContact CG1-CE1 3.85Å; V97-F124 HydrophobicContact CG1-CZ 4.17Å; V97-F124 HydrophobicContact CG2-CE1 4.48Å; K98-F124 HydrophobicContact CD-CE2 4.44Å; K98-F124 HydrophobicContact CG-CE2 4.1Å; K98-F124 HydrophobicContact CG-CZ 3.84Å; K120-F124 WeakPolarHBondContact O-CB 3.33Å; K120-F124 PolarHBondContact O-N 3.49Å; F121-F124 HydrophobicContact CD2-CD1 4.07Å; F121-F124 HydrophobicContact CE2-CD1 4.11Å; F121-F124 HydrophobicContact CE2-CE1 4.38Å; F121-F124 WeakPolarHBondContact O-CB 3.32Å; F121-F124 PolarHBondContact O-N 2.9Å; V122-F124 VanDerWaalsContact C-N 3.25Å; V122-F124 PolarHBondContact O-N 3.49Å; F124-H127 PolarHBondContact O-N 2.83Å; F124-L128 HydrophobicContact CD2-CD1 4.29Å; F124-L128 HydrophobicContact CE1-CD1 4.02Å; F124-L128 HydrophobicContact CE2-CD1 3.47Å; F124-L128 VanDerWaalsContact CE2-CD1 3.47Å; F124-L128 HydrophobicContact CE2-CG 4.05Å; F124-L128 HydrophobicContact CZ-CD1 3.31Å; F124-L128 HydrophobicContact CZ-CG 4.33Å; F124-L128 PolarHBondContact O-N 3.44Å
125L93.5Very high92.1Very high0 Ų036.2 Ų36.20%019%0.193CC..Hα-helixtrans-64.4-41.9177.3-69.4178.8000111.5V97 V110 F121 V122 H127 L128 N129 L130 P132V97-L125 HydrophobicContact CG1-CD2 4.05Å; V97-L125 HydrophobicContact CG2-CD2 4.47Å; V110-L125 HydrophobicContact CB-CD1 4.19Å; V110-L125 HydrophobicContact CB-CD2 3.97Å; V110-L125 HydrophobicContact CG1-CD1 4.36Å; V110-L125 HydrophobicContact CG1-CD2 4.22Å; V110-L125 HydrophobicContact CG2-CD2 3.78Å; F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.63Å; F121-L125 HydrophobicContact CE1-CG 4.24Å; F121-L125 HydrophobicContact CE2-CD2 4.46Å; F121-L125 HydrophobicContact CE2-CG 4.49Å; F121-L125 HydrophobicContact CZ-CD1 4Å; F121-L125 HydrophobicContact CZ-CD2 4.2Å; F121-L125 HydrophobicContact CZ-CG 4.22Å; F121-L125 WeakPolarHBondContact O-CG 3.39Å; F121-L125 PolarHBondContact O-N 3.08Å; V122-L125 PolarHBondContact O-N 2.87Å; L125-H127 PolarHBondContact O-N 2.86Å; L125-L128 CarbonylContact O-C 3.56Å; L125-L128 PolarHBondContact O-N 3.28Å; L125-L128 VanDerWaalsContact O-N 3.16Å; L125-N129 PolarHBondContact O-N 2.96Å; L125-L130 HydrophobicContact CB-CB 4.33Å; L125-L130 HydrophobicContact CD2-CB 4.16Å; L125-L130 HydrophobicContact CD2-CD1 3.98Å; L125-L130 PolarHBondContact O-N 2.89Å; L125-P132 HydrophobicContact CD1-CB 3.93Å
126T92.8Very high92.1Very high54 Ų5439.1 Ų39.133%0.33119%0.19SC..Hα-helixtrans-60.4-44.3175.9-56.90000111.3V122 H123 L128 N129 L215V122-T126 PolarHBondContact O-N 2.87Å; V122-T126 PolarHBondContact O-OG1 3.3Å; V122-T126 VanDerWaalsContact O-OG1 3.12Å; H123-T126 PolarHBondContact O-N 3.39Å; T126-L128 PolarHBondContact O-N 3.14Å; T126-N129 PolarHBondContact O-N 3.47Å; T126-L215 HydrophobicContact CG2-CD2 4.15Å
127H91.3Very high91.7Very high119 Ų11939.1 Ų39.155%0.55120%0.197SC*.Hα-helixtrans-60.6-30.5176.6-169.987.6000113H123 F124 L125 N129H123-H127 PolarHBondContact O-N 3.47Å; F124-H127 PolarHBondContact O-N 2.83Å; L125-H127 PolarHBondContact O-N 2.86Å; H127-N129 VanDerWaalsContact C-N 3.31Å
128L91.5Very high91.1Very high49 Ų4947.8 Ų47.826%0.25723%0.229SC..THydrogen-bonded Turntrans-87.25.9174.9-66.5-177000114V97 F124 L125 T126 L130V97-L128 HydrophobicContact CG1-CD1 4.26Å; F124-L128 HydrophobicContact CD2-CD1 4.29Å; F124-L128 HydrophobicContact CE1-CD1 4.02Å; F124-L128 HydrophobicContact CE2-CD1 3.47Å; F124-L128 VanDerWaalsContact CE2-CD1 3.47Å; F124-L128 HydrophobicContact CE2-CG 4.05Å; F124-L128 HydrophobicContact CZ-CD1 3.31Å; F124-L128 HydrophobicContact CZ-CG 4.33Å; F124-L128 PolarHBondContact O-N 3.44Å; L125-L128 CarbonylContact O-C 3.56Å; L125-L128 PolarHBondContact O-N 3.28Å; L125-L128 VanDerWaalsContact O-N 3.16Å; T126-L128 PolarHBondContact O-N 3.14Å; L128-L130 HydrophobicContact CB-CD1 3.83Å; L128-L130 HydrophobicContact CB-CG 3.85Å; L128-L130 HydrophobicContact CD1-CD1 4.02Å; L128-L130 PolarHBondContact O-N 3.27Å
129N93.1Very high90.3Very high148 Ų14848.9 Ų48.979%0.79124%0.237SC*.THydrogen-bonded Turntrans53.837.3-172.6-62.6-61.7000112.8L125 T126 H127L125-N129 PolarHBondContact O-N 2.96Å; T126-N129 PolarHBondContact O-N 3.47Å; H127-N129 VanDerWaalsContact C-N 3.31Å
130L94.5Very high89.3Confident5 Ų558.1 Ų58.13%0.02628%0.275CS..PPolyproline II helixtrans-101.8129.7178.4-65.1175.7000110.1V97 K101 I107 V110 L125 L128 P132V97-L130 HydrophobicContact CG1-CD1 3.58Å; K101-L130 HydrophobicContact CD-CD2 4.22Å; I107-L130 HydrophobicContact CG2-CD2 4.22Å; I107-L130 WeakPolarHBondContact O-CD2 3.25Å; V110-L130 HydrophobicContact CG2-CB 4.33Å; V110-L130 HydrophobicContact CG2-CD1 3.92Å; L125-L130 HydrophobicContact CB-CB 4.33Å; L125-L130 HydrophobicContact CD2-CB 4.16Å; L125-L130 HydrophobicContact CD2-CD1 3.98Å; L125-L130 PolarHBondContact O-N 2.89Å; L128-L130 HydrophobicContact CB-CD1 3.83Å; L128-L130 HydrophobicContact CB-CG 3.85Å; L128-L130 HydrophobicContact CD1-CD1 4.02Å; L128-L130 PolarHBondContact O-N 3.27Å; L130-P132 VanDerWaalsContact O-CD 3.27Å; L130-P132 WeakPolarHBondContact O-CD 3.47Å
131R94.6Very high88.5Confident71 Ų7158.9 Ų58.927%0.26830%0.295SS..EExtended strand (participates in β ladder)trans-71.7118.7177.4-176.8173.4-178.275.24.7111N108 C109 V110 L222 T225 N228N108-R131 WeakPolarHBondContact O-CB 3.37Å; N108-R131 PolarHBondContact O-N 3.03Å; C109-R131 CarbonylContact C-O 3.57Å; C109-R131 VanDerWaalsContact CA-O 3.23Å; C109-R131 WeakPolarHBondContact CA-O 3.47Å; C109-R131 HydrophobicContact CB-CB 4.09Å; V110-R131 PolarHBondContact N-O 3.45Å; R131-L222 HydrophobicContact CG-CD1 4.44Å; R131-L222 VanDerWaalsContact NH1-CD2 3.32Å; R131-T225 PolarHBondContact NH2-OG1 2.96Å; R131-N228 PolarHBondContact NE-OD1 3.49Å; R131-N228 PolarHBondContact NH2-OD1 3.35Å
132P95.1Very high87.7Confident9 Ų966.4 Ų66.46%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-78126.1177.429.9-33.2000111.2L125 L130 L134 V219 L222 N228L125-P132 HydrophobicContact CD1-CB 3.93Å; L130-P132 VanDerWaalsContact O-CD 3.27Å; L130-P132 WeakPolarHBondContact O-CD 3.47Å; P132-L134 HydrophobicContact CB-CD1 4.32Å; P132-L134 HydrophobicContact CB-CG 4.39Å; P132-V219 HydrophobicContact CB-CG2 4.03Å; P132-V219 HydrophobicContact CG-CG2 3.55Å; P132-L222 HydrophobicContact CG-CD1 4.13Å; P132-N228 PolarHBondContact O-ND2 3.39Å; P132-N228 VanDerWaalsContact O-ND2 3.09Å
133C94.4Very high87Confident2 Ų276.3 Ų76.31%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-117.875.2-179.1-58.60000108.6C109 V110 V111C109-C133 WeakPolarHBondContact CB-SG 3.24Å; C109-C133 WeakPolarHBondContact SG-CB 3.32Å; C109-C133 CovalentContact SG-SG 2.09Å; C109-C133 PolarHBondContact SG-SG 2.85Å; V110-C133 WeakPolarHBondContact O-CB 3.07Å; V110-C133 PolarHBondContact O-N 3.17Å; V111-C133 WeakPolarHBondContact CA-O 3.48Å; V111-C133 HydrophobicContact CB-CB 4.42Å; V111-C133 HydrophobicContact CG2-CB 3.83Å
134L93.1Very high86.3Confident4 Ų477.9 Ų77.92%0.02140%0.397CS..  trans-113.3148-169-60.4175.4000113.1A112 K117 V122 P132 V219 R223A112-L134 HydrophobicContact CB-CD2 3.66Å; K117-L134 HydrophobicContact CB-CD1 4.18Å; K117-L134 HydrophobicContact CD-CB 4.48Å; K117-L134 HydrophobicContact CG-CD1 4.11Å; V122-L134 HydrophobicContact CG2-CD1 3.93Å; P132-L134 HydrophobicContact CB-CD1 4.32Å; P132-L134 HydrophobicContact CB-CG 4.39Å; L134-V219 HydrophobicContact CB-CG1 4.19Å; L134-V219 HydrophobicContact CD1-CG1 4.1Å; L134-R223 WeakPolarHBondContact O-CG 3.41Å
135P91.7Very high86Confident16 Ų1679.5 Ų79.510%0.10441%0.405CS..  trans-77.5169.2-178.730.6-34.1000113.6A112 A114 Y232A112-P135 VanDerWaalsContact O-CD 3.23Å; A112-P135 WeakPolarHBondContact O-CD 3.29Å; A114-P135 HydrophobicContact CB-CG 3.76Å; A114-P135 VanDerWaalsContact N-CG 3.3Å; P135-Y232 HydrophobicContact CB-CE1 3.98Å; P135-Y232 HydrophobicContact CB-CE2 3.98Å; P135-Y232 VanDerWaalsContact CB-CZ 3.49Å; P135-Y232 VanDerWaalsContact CB-OH 3.29Å; P135-Y232 WeakPolarHBondContact CB-OH 3.44Å; P135-Y232 HydrophobicContact CG-CE2 4.04Å; P135-Y232 VanDerWaalsContact CG-OH 3.26Å; P135-Y232 WeakPolarHBondContact CG-OH 3.43Å
136Y86.9Confident85.7Confident108 Ų10880.3 Ų80.342%0.42441%0.409SS..  trans-66.6133167.4178.5-111.2000110.1R138 P139 R223Y136-R138 HydrophobicContact CD1-CG 4.31Å; Y136-R138 HydrophobicContact CE1-CB 4.4Å; Y136-R138 HydrophobicContact CE1-CG 3.73Å; Y136-P139 WeakPolarHBondContact OH-CD 3.46Å; Y136-R223 VanDerWaalsContact N-CD 3.32Å
137S80.7Confident85.4Confident48 Ų4879.7 Ų79.734%0.33641%0.407SS..  trans-110.3121.7171.2-67.80000108P139S137-P139 WeakPolarHBondContact O-CD 3.43Å
138R77.9Confident85.2Confident215 Ų21577.7 Ų77.781%0.81140%0.397SS*.  trans-60.4128.4178.1-76.3-175.4-178.1-165.51.6109.6Y136 K140Y136-R138 HydrophobicContact CD1-CG 4.31Å; Y136-R138 HydrophobicContact CE1-CB 4.4Å; Y136-R138 HydrophobicContact CE1-CG 3.73Å; R138-K140 PolarHBondContact O-N 3.49Å
139P73.5Confident84.9Confident67 Ų6780.8 Ų80.844%0.43541%0.414SS..  trans-53.7127.7173.2-25.131.7000110.2Y136 S137 G141Y136-P139 WeakPolarHBondContact OH-CD 3.46Å; S137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-G141 PolarHBondContact O-N 3.34Å
140K70.2Confident84.6Confident220 Ų22078.3 Ų78.396%0.95740%0.398SS*.  trans-87.790.8172.7-65.1-177.5-176.5176.80107.7R138R138-K140 PolarHBondContact O-N 3.49Å
141G72.8Confident84.5Confident59 Ų5978.5 Ų78.561%0.60840%0.398SS*.  trans-115.3157.6174.600000111.6P139 K143P139-G141 PolarHBondContact O-N 3.34Å; G141-K143 PolarHBondContact O-N 2.91Å
142K75.3Confident84.4Confident160 Ų16080.8 Ų80.870%0.69642%0.415SS*.  trans-65128.5165.7-73.7-179-179.3178.80108.2G144 L145K142-G144 PolarHBondContact O-N 3.46Å; K142-L145 HydrophobicContact CB-CD1 3.93Å; K142-L145 HydrophobicContact CD-CD1 4.14Å; K142-L145 PolarHBondContact O-N 3.32Å
143K77.4Confident84.3Confident210 Ų21082.3 Ų82.391%0.91342%0.42SS*.THydrogen-bonded Turntrans-57136178-66.1-174.4179.2-177.90110.3G141G141-K143 PolarHBondContact O-N 2.91Å
144G79.9Confident84.2Confident71 Ų7184.2 Ų84.273%0.73243%0.43SS*.THydrogen-bonded Turntrans83.61.2177.500000115.8K142K142-G144 PolarHBondContact O-N 3.46Å
145L86.8Confident84.1Confident35 Ų3591.3 Ų91.318%0.18346%0.463CS..SBendtrans-104147.7169.2-75.2168.6000110.4K142 S147 Q196 K199K142-L145 HydrophobicContact CB-CD1 3.93Å; K142-L145 HydrophobicContact CD-CD1 4.14Å; K142-L145 PolarHBondContact O-N 3.32Å; L145-S147 PolarHBondContact O-N 3.09Å; L145-Q196 CarbonylContact C-O 3.57Å; L145-Q196 WeakPolarHBondContact CA-O 3.42Å; L145-Q196 VanDerWaalsContact CD2-O 3.23Å; L145-Q196 WeakPolarHBondContact CD2-O 3.46Å; L145-K199 HydrophobicContact CD1-CD 4.39Å; L145-K199 HydrophobicContact CD1-CG 4.27Å; L145-K199 HydrophobicContact CD2-CG 4.26Å
146L86.3Confident84Confident16 Ų1699.8 Ų99.88%0.08449%0.494CS..PPolyproline II helixtrans-53.5128.2173.2-66.2175.9000109.2E150 F151 P163 Q196 C197 R205L146-E150 WeakPolarHBondContact CA-OE2 3.26Å; L146-E150 VanDerWaalsContact CD2-OE1 3.29Å; L146-E150 WeakPolarHBondContact CD2-OE1 3.39Å; L146-F151 HydrophobicContact CB-CE2 4.06Å; L146-P163 HydrophobicContact CD1-CG 4.26Å; L146-Q196 HydrophobicContact CG-CB 4.4Å; L146-Q196 PolarHBondContact N-O 3.16Å; L146-C197 HydrophobicContact CD1-CB 3.96Å; L146-R205 PolarHBondContact O-NH1 3.3Å; L146-R205 PolarHBondContact O-NH2 3.24Å
147S86.1Confident84.1Confident41 Ų41102 Ų10229%0.28750%0.503SS..PPolyproline II helixtrans-75.5163.1176.270.90000110.6L145 N149 E150 F151L145-S147 PolarHBondContact O-N 3.09Å; S147-N149 PolarHBondContact O-N 3.16Å; S147-E150 PolarHBondContact N-OE2 2.97Å; S147-E150 PolarHBondContact O-N 3.47Å; S147-E150 PolarHBondContact OG-OE2 2.93Å; S147-F151 VanDerWaalsContact O-CD2 3.26Å; S147-F151 WeakPolarHBondContact O-CD2 3.29Å; S147-F151 WeakPolarHBondContact O-CE2 3.27Å
148K86.6Confident84.7Confident78 Ų78101.5 Ų101.534%0.33950%0.497SS..G310 helixtrans-60.7-31.4173.8179.6176.5175177.30112.1E150 F151 Y160 I207 T208K148-E150 PolarHBondContact O-N 3.35Å; K148-F151 PolarHBondContact O-N 3.05Å; K148-Y160 WeakPolarHBondContact CE-OH 3.43Å; K148-Y160 PolarHBondContact NZ-OH 2.94Å; K148-I207 HydrophobicContact CD-CG2 4.1Å; K148-I207 HydrophobicContact CG-CG2 4.03Å; K148-T208 PolarHBondContact NZ-O 3.4Å
149N85.3Confident85.4Confident113 Ų11391.3 Ų91.360%0.60446%0.459SS*.G310 helixtrans-70-15.7-175.3-63.67.1000113.3S147 F151S147-N149 PolarHBondContact O-N 3.16Å; N149-F151 VanDerWaalsContact C-N 3.25Å
150E88.4Confident86.4Confident96 Ų9688.4 Ų88.445%0.44944%0.439SS..G310 helixtrans-83.2-4.9174-70.6163.3119.600112.4L146 S147 K148 P163L146-E150 WeakPolarHBondContact CA-OE2 3.26Å; L146-E150 VanDerWaalsContact CD2-OE1 3.29Å; L146-E150 WeakPolarHBondContact CD2-OE1 3.39Å; S147-E150 PolarHBondContact N-OE2 2.97Å; S147-E150 PolarHBondContact O-N 3.47Å; S147-E150 PolarHBondContact OG-OE2 2.93Å; K148-E150 PolarHBondContact O-N 3.35Å; E150-P163 HydrophobicContact CB-CG 4.23Å; E150-P163 WeakPolarHBondContact O-CG 3.25Å
151F91.9Very high87.5Confident10 Ų1079.8 Ų79.84%0.04440%0.403CS..SBendtrans-104.3126.3173.4-62.6-104.4000108.7L146 S147 K148 N149 Y160 I161 C162 L168 R205 I207L146-F151 HydrophobicContact CB-CE2 4.06Å; S147-F151 VanDerWaalsContact O-CD2 3.26Å; S147-F151 WeakPolarHBondContact O-CD2 3.29Å; S147-F151 WeakPolarHBondContact O-CE2 3.27Å; K148-F151 PolarHBondContact O-N 3.05Å; N149-F151 VanDerWaalsContact C-N 3.25Å; F151-Y160 HydrophobicContact CB-CD1 3.77Å; F151-I161 CarbonylContact C-O 3.52Å; F151-I161 VanDerWaalsContact CA-O 3.28Å; F151-I161 WeakPolarHBondContact CA-O 3.3Å; F151-C162 HydrophobicContact CD1-CB 3.64Å; F151-C162 HydrophobicContact CE1-CB 3.44Å; F151-C162 VanDerWaalsContact CE1-CB 3.44Å; F151-C162 HydrophobicContact CZ-CB 4.48Å; F151-L168 HydrophobicContact CD1-CD1 4.25Å; F151-L168 HydrophobicContact CD1-CD2 4.26Å; F151-L168 HydrophobicContact CE1-CD1 4.24Å; F151-L168 HydrophobicContact CE1-CD2 4.18Å; F151-R205 HydrophobicContact CE1-CG 4.19Å; F151-R205 HydrophobicContact CZ-CG 3.91Å; F151-I207 HydrophobicContact CB-CD1 3.58Å; F151-I207 HydrophobicContact CD1-CD1 3.33Å; F151-I207 HydrophobicContact CD2-CD1 3.52Å; F151-I207 HydrophobicContact CE1-CD1 3.8Å; F151-I207 HydrophobicContact CE2-CD1 3.99Å; F151-I207 HydrophobicContact CG-CD1 3.17Å; F151-I207 HydrophobicContact CZ-CD1 4.11Å
152L92.6Very high88.5Confident118 Ų11878 Ų7862%0.61838%0.381SS*.EExtended strand (participates in β ladder)trans-80.1134.7175.7179.464.1000108.8Y160 I161L152-Y160 CarbonylContact O-C 3.43Å; L152-Y160 VanDerWaalsContact O-CA 3.24Å; L152-Y160 WeakPolarHBondContact O-CA 3.26Å; L152-Y160 WeakPolarHBondContact O-CD1 3.44Å; L152-I161 HydrophobicContact CB-CB 4.39Å; L152-I161 HydrophobicContact CD2-CD1 4.47Å; L152-I161 PolarHBondContact N-O 3.36Å; L152-I161 PolarHBondContact O-N 2.86Å
153Y92.9Very high89.3Confident41 Ų4172.9 Ų72.916%0.16136%0.364CS..EExtended strand (participates in β ladder)trans-93.7126.3170.6-178.5-117000108.7E155 D158 C159 Y160 Y181Y153-E155 HydrophobicContact CE1-CB 4.29Å; Y153-D158 PolarHBondContact OH-OD1 3.27Å; Y153-C159 WeakPolarHBondContact CD2-O 3.45Å; Y153-Y160 HydrophobicContact CD2-CD1 4.42Å; Y153-Y160 AromaticContact CD2-CD2 3.77Å; Y153-Y160 HydrophobicContact CD2-CD2 3.77Å; Y153-Y160 HydrophobicContact CD2-CE1 4.14Å; Y153-Y160 AromaticContact CD2-CE2 3.44Å; Y153-Y160 HydrophobicContact CD2-CE2 3.44Å; Y153-Y160 VanDerWaalsContact CD2-CE2 3.44Å; Y153-Y160 HydrophobicContact CD2-CG 4.26Å; Y153-Y160 AromaticContact CD2-CZ 3.64Å; Y153-Y160 HydrophobicContact CE2-CD2 4.43Å; Y153-Y160 HydrophobicContact CE2-CE2 4.06Å; Y153-Y160 HydrophobicContact CG-CE1 4.26Å; Y153-Y160 HydrophobicContact CG-CE2 4.26Å; Y153-Y160 AromaticContact CG-CZ 3.98Å; Y153-Y181 HydrophobicContact CE2-CE1 4.19Å; Y153-Y181 AromaticContact CE2-CZ 3.89Å
154D92.3Very high89.9Confident43 Ų4366.9 Ų66.923%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-102.4113.6171.5-168.6-38.5000108.6Y156 Y157 D158 C159 I161D154-Y156 WeakPolarHBondContact OD1-CB 3.48Å; D154-Y156 PolarHBondContact OD1-N 3.44Å; D154-Y157 PolarHBondContact OD1-N 2.89Å; D154-Y157 WeakPolarHBondContact OD2-CD2 3.31Å; D154-D158 WeakPolarHBondContact O-CA 3.09Å; D154-D158 PolarHBondContact O-N 3.23Å; D154-D158 VanDerWaalsContact O-N 3.1Å; D154-C159 PolarHBondContact N-O 3.03Å; D154-C159 PolarHBondContact O-N 3.14Å; D154-C159 VanDerWaalsContact O-N 3.17Å; D154-I161 HydrophobicContact CB-CD1 4.32Å
155E89.9Confident90.5Very high152 Ų15270 Ų7071%0.7134%0.339SS*.THydrogen-bonded Turntrans-70.9-35.2-179.5-174.9179.7175.600112.2Y153 D158Y153-E155 HydrophobicContact CE1-CB 4.29Å; E155-D158 PolarHBondContact O-N 3.4Å
156Y90.2Very high90.7Very high194 Ų19472.3 Ų72.376%0.76135%0.349SS*.THydrogen-bonded Turntrans-69.4-41.6-176-178.8-95.9000111.5D154D154-Y156 WeakPolarHBondContact OD1-CB 3.48Å; D154-Y156 PolarHBondContact OD1-N 3.44Å
157Y90.1Very high91Very high154 Ų15476.5 Ų76.560%0.60437%0.369SS*.THydrogen-bonded Turntrans-93.9-1178.5-66.6-70.3000114.3D154 C159D154-Y157 PolarHBondContact OD1-N 2.89Å; D154-Y157 WeakPolarHBondContact OD2-CD2 3.31Å; Y157-C159 PolarHBondContact O-N 2.83Å
158D91.6Very high91.4Very high38 Ų3874.7 Ų74.720%0.20336%0.357CS..THydrogen-bonded Turntrans44.857.7-172.4-176.436.6000112.5Y153 D154 E155 F170 R179 Y181Y153-D158 PolarHBondContact OH-OD1 3.27Å; D154-D158 WeakPolarHBondContact O-CA 3.09Å; D154-D158 PolarHBondContact O-N 3.23Å; D154-D158 VanDerWaalsContact O-N 3.1Å; E155-D158 PolarHBondContact O-N 3.4Å; D158-F170 WeakPolarHBondContact OD2-CB 3.47Å; D158-R179 IonicContact OD1-CZ 3.72Å; D158-R179 IonicContact OD1-NE 3.17Å; D158-R179 IonicContact OD1-NH1 3.22Å; D158-R179 IonicContact OD1-NH2 2.77Å; D158-R179 PolarHBondContact OD1-NH2 2.81Å; D158-R179 IonicContact OD2-CZ 3.94Å; D158-R179 IonicContact OD2-NH2 3.77Å; D158-R179 PolarHBondContact OD2-NH2 2.63Å; D158-Y181 WeakPolarHBondContact O-CE1 3.35Å; D158-Y181 VanDerWaalsContact OD1-CE1 3.32Å; D158-Y181 WeakPolarHBondContact OD1-CE1 3.46Å; D158-Y181 PolarHBondContact OD1-OH 3.16Å
159C93.2Very high91.7Very high2 Ų274 Ų741%0.01437%0.365CS..EExtended strand (participates in β ladder)trans-143.2161.1-178.979.40000112.2Y153 D154 Y157 M167 L168Y153-C159 WeakPolarHBondContact CD2-O 3.45Å; D154-C159 PolarHBondContact N-O 3.03Å; D154-C159 PolarHBondContact O-N 3.14Å; D154-C159 VanDerWaalsContact O-N 3.17Å; Y157-C159 PolarHBondContact O-N 2.83Å; C159-M167 HydrophobicContact CB-CE 4Å; C159-M167 WeakPolarHBondContact SG-CE 3.41Å; C159-L168 WeakPolarHBondContact CA-O 3.3Å
160Y93.7Very high92.1Very high5 Ų571.1 Ų71.12%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-101.6135.5165.7-84.9-89000110.4K148 F151 L152 Y153 M167 L168 Y181 I207 R209K148-Y160 WeakPolarHBondContact CE-OH 3.43Å; K148-Y160 PolarHBondContact NZ-OH 2.94Å; F151-Y160 HydrophobicContact CB-CD1 3.77Å; L152-Y160 CarbonylContact O-C 3.43Å; L152-Y160 VanDerWaalsContact O-CA 3.24Å; L152-Y160 WeakPolarHBondContact O-CA 3.26Å; L152-Y160 WeakPolarHBondContact O-CD1 3.44Å; Y153-Y160 HydrophobicContact CD2-CD1 4.42Å; Y153-Y160 AromaticContact CD2-CD2 3.77Å; Y153-Y160 HydrophobicContact CD2-CD2 3.77Å; Y153-Y160 HydrophobicContact CD2-CE1 4.14Å; Y153-Y160 AromaticContact CD2-CE2 3.44Å; Y153-Y160 HydrophobicContact CD2-CE2 3.44Å; Y153-Y160 VanDerWaalsContact CD2-CE2 3.44Å; Y153-Y160 HydrophobicContact CD2-CG 4.26Å; Y153-Y160 AromaticContact CD2-CZ 3.64Å; Y153-Y160 HydrophobicContact CE2-CD2 4.43Å; Y153-Y160 HydrophobicContact CE2-CE2 4.06Å; Y153-Y160 HydrophobicContact CG-CE1 4.26Å; Y153-Y160 HydrophobicContact CG-CE2 4.26Å; Y153-Y160 AromaticContact CG-CZ 3.98Å; Y160-M167 CarbonylContact O-C 3.45Å; Y160-L168 PolarHBondContact N-O 3.02Å; Y160-L168 VanDerWaalsContact N-O 3.1Å; Y160-L168 WeakPolarHBondContact O-CB 3.49Å; Y160-L168 PolarHBondContact O-N 3.49Å; Y160-Y181 AromaticContact CD2-CD1 3.95Å; Y160-Y181 HydrophobicContact CD2-CD1 3.95Å; Y160-Y181 AromaticContact CD2-CD2 3.6Å; Y160-Y181 HydrophobicContact CD2-CD2 3.6Å; Y160-Y181 HydrophobicContact CD2-CE1 4.35Å; Y160-Y181 HydrophobicContact CD2-CE2 4.05Å; Y160-Y181 AromaticContact CD2-CG 3.54Å; Y160-Y181 HydrophobicContact CD2-CG 3.54Å; Y160-Y181 AromaticContact CE2-CD2 3.61Å; Y160-Y181 HydrophobicContact CE2-CD2 3.61Å; Y160-Y181 AromaticContact CE2-CE2 3.73Å; Y160-Y181 HydrophobicContact CE2-CE2 3.73Å; Y160-Y181 HydrophobicContact CE2-CG 4.07Å; Y160-I207 HydrophobicContact CD1-CD1 4.33Å; Y160-I207 HydrophobicContact CD1-CG2 4.35Å; Y160-I207 HydrophobicContact CD2-CG2 4.07Å; Y160-I207 HydrophobicContact CE1-CG2 4.21Å; Y160-I207 HydrophobicContact CE2-CG2 3.92Å; Y160-I207 HydrophobicContact CG-CD1 4.3Å; Y160-I207 HydrophobicContact CG-CG2 4.28Å; Y160-R209 HydrophobicContact CE2-CB 4.2Å; Y160-R209 PolarHBondContact OH-NH1 3.38Å
161I94.1Very high92.2Very high39 Ų3968.4 Ų68.420%0.234%0.339CS..EExtended strand (participates in β ladder)trans-102127.4174.8-56.5168.7000107.7F151 L152 D154F151-I161 CarbonylContact C-O 3.52Å; F151-I161 VanDerWaalsContact CA-O 3.28Å; F151-I161 WeakPolarHBondContact CA-O 3.3Å; L152-I161 HydrophobicContact CB-CB 4.39Å; L152-I161 HydrophobicContact CD2-CD1 4.47Å; L152-I161 PolarHBondContact N-O 3.36Å; L152-I161 PolarHBondContact O-N 2.86Å; D154-I161 HydrophobicContact CB-CD1 4.32Å
162C92.9Very high92.1Very high21 Ų2169.1 Ų69.114%0.14234%0.344CS..PPolyproline II helixtrans-84.3169.1178.375.80000112.4F151 Q164 D165 Q166 L168F151-C162 HydrophobicContact CD1-CB 3.64Å; F151-C162 HydrophobicContact CE1-CB 3.44Å; F151-C162 VanDerWaalsContact CE1-CB 3.44Å; F151-C162 HydrophobicContact CZ-CB 4.48Å; C162-Q164 PolarHBondContact O-N 3.4Å; C162-Q164 PolarHBondContact SG-N 3.42Å; C162-D165 PolarHBondContact O-N 3.08Å; C162-Q166 PolarHBondContact N-O 3.2Å; C162-Q166 VanDerWaalsContact SG-CB 3.57Å; C162-Q166 PolarHBondContact SG-N 2.87Å; C162-Q166 PolarHBondContact SG-O 2.95Å; C162-Q166 VanDerWaalsContact SG-O 3.34Å; C162-L168 HydrophobicContact CB-CD1 3.96Å
163P92.2Very high92.1Very high53 Ų5363.6 Ų63.634%0.34432%0.315SS..THydrogen-bonded Turntrans-62.40.1176.3-24.534.5000116.6L146 E150 L193L146-P163 HydrophobicContact CD1-CG 4.26Å; E150-P163 HydrophobicContact CB-CG 4.23Å; E150-P163 WeakPolarHBondContact O-CG 3.25Å; P163-L193 HydrophobicContact CB-CD1 4.19Å
164Q91.9Very high91.9Very high84 Ų8463.1 Ų63.139%0.39332%0.316SS..THydrogen-bonded Turntrans-117.322.4174-67.5-68.3-79.900110.9C162 Q166 L193C162-Q164 PolarHBondContact O-N 3.4Å; C162-Q164 PolarHBondContact SG-N 3.42Å; Q164-Q166 PolarHBondContact O-N 3.11Å; Q164-Q166 PolarHBondContact O-NE2 3.29Å; Q164-L193 HydrophobicContact CG-CD1 3.86Å; Q164-L193 HydrophobicContact CG-CG 4.35Å
165D91.3Very high91.6Very high136 Ų13665.9 Ų65.973%0.72732%0.324SS*.SBendtrans58.419.9176.4-53.3-47.9000114.9C162C162-D165 PolarHBondContact O-N 3.08Å
166Q92.1Very high91.3Very high85 Ų8565.5 Ų65.540%0.39732%0.322SS..  trans-88.9139.3172.6-54-54.7-58.500111C162 Q164 E187C162-Q166 PolarHBondContact N-O 3.2Å; C162-Q166 VanDerWaalsContact SG-CB 3.57Å; C162-Q166 PolarHBondContact SG-N 2.87Å; C162-Q166 PolarHBondContact SG-O 2.95Å; C162-Q166 VanDerWaalsContact SG-O 3.34Å; Q164-Q166 PolarHBondContact O-N 3.11Å; Q164-Q166 PolarHBondContact O-NE2 3.29Å; Q166-E187 PolarHBondContact OE1-OE2 2.9Å
167M92.6Very high91.2Very high104 Ų10456.3 Ų56.351%0.51229%0.286SS..EExtended strand (participates in β ladder)trans-82.4139.1180-62.8174.578.600111.9C159 Y160C159-M167 HydrophobicContact CB-CE 4Å; C159-M167 WeakPolarHBondContact SG-CE 3.41Å; Y160-M167 CarbonylContact O-C 3.45Å
168L94.2Very high91.2Very high3 Ų353 Ų532%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-107.1102168.7-75.571000106.9F151 C159 Y160 C162 K182 R205 I207F151-L168 HydrophobicContact CD1-CD1 4.25Å; F151-L168 HydrophobicContact CD1-CD2 4.26Å; F151-L168 HydrophobicContact CE1-CD1 4.24Å; F151-L168 HydrophobicContact CE1-CD2 4.18Å; C159-L168 WeakPolarHBondContact CA-O 3.3Å; Y160-L168 PolarHBondContact N-O 3.02Å; Y160-L168 VanDerWaalsContact N-O 3.1Å; Y160-L168 WeakPolarHBondContact O-CB 3.49Å; Y160-L168 PolarHBondContact O-N 3.49Å; C162-L168 HydrophobicContact CB-CD1 3.96Å; L168-K182 WeakPolarHBondContact CA-O 3.41Å; L168-R205 HydrophobicContact CD2-CB 4.47Å; L168-R205 HydrophobicContact CD2-CG 4.21Å; L168-I207 HydrophobicContact CD2-CD1 3.75Å; L168-I207 HydrophobicContact CD2-CG1 3.91Å
169A93Very high91.3Very high62 Ų6253.2 Ų53.251%0.51227%0.271SS..EExtended strand (participates in β ladder)trans-72148.3-178.800000111.4S171 Y181 K182A169-S171 PolarHBondContact O-N 2.87Å; A169-Y181 WeakPolarHBondContact O-CA 3.34Å; A169-K182 PolarHBondContact N-O 3.37Å; A169-K182 PolarHBondContact O-N 3.19Å
170F92.7Very high91.3Very high53 Ų5355.2 Ų55.223%0.23228%0.28CS..EExtended strand (participates in β ladder)trans-57.4131.3169.7173.2-102.2000110.7A24 D158 V173 R179 Y181A24-F170 HydrophobicContact CB-CE1 3.73Å; A24-F170 HydrophobicContact CB-CZ 4.38Å; D158-F170 WeakPolarHBondContact OD2-CB 3.47Å; F170-V173 HydrophobicContact CE2-CG2 4.05Å; F170-V173 HydrophobicContact CZ-CG2 3.73Å; F170-R179 HydrophobicContact CD2-CB 4.15Å; F170-R179 HydrophobicContact CE2-CB 3.83Å; F170-R179 HydrophobicContact CE2-CG 3.97Å; F170-Y181 HydrophobicContact CB-CD1 4.08Å; F170-Y181 HydrophobicContact CB-CE1 3.87Å; F170-Y181 HydrophobicContact CD2-CE1 4.24Å
171S91Very high91.3Very high39 Ų3955 Ų5527%0.27328%0.279SS..EExtended strand (participates in β ladder)trans-109.9-60.3-179.3-1780000111.5K26 A169 E180 K182K26-S171 PolarHBondContact NZ-O 2.96Å; A169-S171 PolarHBondContact O-N 2.87Å; S171-E180 WeakPolarHBondContact CB-O 3.32Å; S171-E180 PolarHBondContact N-O 2.96Å; S171-K182 WeakPolarHBondContact OG-CD 3.29Å; S171-K182 PolarHBondContact OG-NZ 3.34Å; S171-K182 VanDerWaalsContact OG-NZ 3.14Å
172T90.3Very high91.3Very high25 Ų2555.9 Ų55.915%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-158.8158-173.6-159.30000112.1K26 E180K26-T172 PolarHBondContact NZ-OG1 3.34Å; T172-E180 HydrophobicContact CG2-CB 4.22Å; T172-E180 HydrophobicContact CG2-CG 4.15Å; T172-E180 WeakPolarHBondContact CG2-OE2 3.42Å; T172-E180 PolarHBondContact O-N 2.71Å
173V91.1Very high91.3Very high2 Ų255.2 Ų55.21%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-95129.4162.8-164.30000109.4I17 Q20 R21 F170 Y178 R179 V211I17-V173 HydrophobicContact CG1-CG1 4.4Å; I17-V173 HydrophobicContact CG2-CG1 4.08Å; Q20-V173 HydrophobicContact CB-CG2 4.03Å; R21-V173 HydrophobicContact CG-CB 4Å; R21-V173 HydrophobicContact CG-CG2 4.3Å; R21-V173 PolarHBondContact NH1-O 2.86Å; F170-V173 HydrophobicContact CE2-CG2 4.05Å; F170-V173 HydrophobicContact CZ-CG2 3.73Å; V173-Y178 CarbonylContact C-O 3.5Å; V173-Y178 WeakPolarHBondContact CA-O 3.4Å; V173-R179 HydrophobicContact CG2-CG 4.28Å; V173-V211 HydrophobicContact CG1-CG2 4.06Å
174T90.2Very high91.3Very high31 Ų3155.6 Ų55.619%0.1928%0.276CS..  trans-76.7164.2173.870.20000110.9E176 G177 Y178 E180T174-E176 PolarHBondContact O-N 3.5Å; T174-G177 PolarHBondContact O-N 3.44Å; T174-Y178 WeakPolarHBondContact CG2-O 3.21Å; T174-Y178 PolarHBondContact N-O 2.9Å; T174-Y178 WeakPolarHBondContact OG1-CB 3.1Å; T174-Y178 PolarHBondContact OG1-N 3.15Å; T174-Y178 VanDerWaalsContact OG1-N 3.1Å; T174-Y178 PolarHBondContact OG1-O 2.93Å; T174-E180 HydrophobicContact CG2-CG 3.91Å; T174-E180 WeakPolarHBondContact CG2-OE1 3.08Å
175R85.2Confident91.2Very high101 Ų10153.7 Ų53.738%0.38127%0.272SS..THydrogen-bonded Turntrans-64.2-22.6176.9-166.5176.4-168.3152.918.1113.7F29 T30 D32 G177F29-R175 HydrophobicContact CD2-CB 4.45Å; F29-R175 HydrophobicContact CD2-CG 4.39Å; F29-R175 HydrophobicContact CE2-CB 4.07Å; F29-R175 HydrophobicContact CE2-CG 4.5Å; F29-R175 HydrophobicContact CZ-CB 4.17Å; T30-R175 PolarHBondContact O-NH2 3.1Å; D32-R175 IonicContact OD1-CZ 3.95Å; D32-R175 VanDerWaalsContact OD1-CZ 3.28Å; D32-R175 IonicContact OD1-NH1 3.16Å; D32-R175 PolarHBondContact OD1-NH1 3.37Å; D32-R175 IonicContact OD1-NH2 3.4Å; D32-R175 PolarHBondContact OD1-NH2 3.46Å; D32-R175 IonicContact OD2-CZ 3.28Å; D32-R175 IonicContact OD2-NH1 3.04Å; D32-R175 PolarHBondContact OD2-NH1 2.59Å; D32-R175 IonicContact OD2-NH2 2.69Å; D32-R175 PolarHBondContact OD2-NH2 3.11Å; D32-R175 VanDerWaalsContact OD2-NH2 3.15Å; R175-G177 VanDerWaalsContact C-N 3.3Å
176E83.5Confident91.2Very high145 Ų14555.7 Ų55.768%0.67827%0.274SS*.THydrogen-bonded Turntrans-86.80.6179.6-62.7-178.7170.300113T174 Y178T174-E176 PolarHBondContact O-N 3.5Å; E176-Y178 HydrophobicContact CB-CD2 3.91Å; E176-Y178 HydrophobicContact CB-CE2 4.1Å
177G87.6Confident91Very high0 Ų055.6 Ų55.60%027%0.273CS..SBendtrans87.329.2179.600000114.8T174 R175 H210 V211T174-G177 PolarHBondContact O-N 3.44Å; R175-G177 VanDerWaalsContact C-N 3.3Å; G177-H210 CarbonylContact O-C 3.32Å; G177-H210 WeakPolarHBondContact O-CA 3.25Å; G177-H210 PolarHBondContact O-CD2 2.81Å; G177-V211 WeakPolarHBondContact O-CG2 3.4Å; G177-V211 PolarHBondContact O-N 2.95Å
178Y91.9Very high90.9Very high84 Ų8451.6 Ų51.633%0.32926%0.256SS..EExtended strand (participates in β ladder)trans-108.8127.4173-65-86.1000111.7V173 T174 E176 R209 H210V173-Y178 CarbonylContact C-O 3.5Å; V173-Y178 WeakPolarHBondContact CA-O 3.4Å; T174-Y178 WeakPolarHBondContact CG2-O 3.21Å; T174-Y178 PolarHBondContact N-O 2.9Å; T174-Y178 WeakPolarHBondContact OG1-CB 3.1Å; T174-Y178 PolarHBondContact OG1-N 3.15Å; T174-Y178 VanDerWaalsContact OG1-N 3.1Å; T174-Y178 PolarHBondContact OG1-O 2.93Å; E176-Y178 HydrophobicContact CB-CD2 3.91Å; E176-Y178 HydrophobicContact CB-CE2 4.1Å; Y178-R209 CarbonylContact C-O 3.59Å; Y178-R209 WeakPolarHBondContact CA-O 3.43Å; Y178-H210 HydrophobicContact CD1-CB 4.04Å; Y178-H210 HydrophobicContact CE1-CB 3.94Å; Y178-H210 AromaticContact CE1-CD2 3.9Å; Y178-H210 AromaticContact CZ-CD2 3.94Å
179R92Very high90.6Very high43 Ų4355 Ų5516%0.16228%0.276CS..EExtended strand (participates in β ladder)trans-76.1121.7165.2-60175.176.91617.5109.2D158 F170 V173 Y181 T208 R209D158-R179 IonicContact OD1-CZ 3.72Å; D158-R179 IonicContact OD1-NE 3.17Å; D158-R179 IonicContact OD1-NH1 3.22Å; D158-R179 IonicContact OD1-NH2 2.77Å; D158-R179 PolarHBondContact OD1-NH2 2.81Å; D158-R179 IonicContact OD2-CZ 3.94Å; D158-R179 IonicContact OD2-NH2 3.77Å; D158-R179 PolarHBondContact OD2-NH2 2.63Å; F170-R179 HydrophobicContact CD2-CB 4.15Å; F170-R179 HydrophobicContact CE2-CB 3.83Å; F170-R179 HydrophobicContact CE2-CG 3.97Å; V173-R179 HydrophobicContact CG2-CG 4.28Å; R179-Y181 HydrophobicContact CB-CE2 3.68Å; R179-Y181 PolarHBondContact NE-OH 3.13Å; R179-Y181 VanDerWaalsContact NE-OH 3.17Å; R179-T208 CarbonylContact O-C 3.56Å; R179-T208 VanDerWaalsContact O-CA 3.3Å; R179-T208 WeakPolarHBondContact O-CA 3.38Å; R179-R209 PolarHBondContact N-O 3.28Å; R179-R209 PolarHBondContact O-N 2.96Å
180E93.9Very high90.4Very high45 Ų4559 Ų5921%0.2129%0.289CS..EExtended strand (participates in β ladder)trans-93.6128.7174-64.9-173.216900110.5S171 T172 T174 K182 V206 I207 T208S171-E180 WeakPolarHBondContact CB-O 3.32Å; S171-E180 PolarHBondContact N-O 2.96Å; T172-E180 HydrophobicContact CG2-CB 4.22Å; T172-E180 HydrophobicContact CG2-CG 4.15Å; T172-E180 WeakPolarHBondContact CG2-OE2 3.42Å; T172-E180 PolarHBondContact O-N 2.71Å; T174-E180 HydrophobicContact CG2-CG 3.91Å; T174-E180 WeakPolarHBondContact CG2-OE1 3.08Å; E180-K182 WeakPolarHBondContact OE2-CE 3.47Å; E180-K182 IonicContact OE2-NZ 3.9Å; E180-K182 PolarHBondContact OE2-NZ 3.42Å; E180-V206 HydrophobicContact CB-CG1 4.23Å; E180-V206 HydrophobicContact CG-CG1 4.35Å; E180-I207 WeakPolarHBondContact CA-O 3.45Å; E180-T208 HydrophobicContact CG-CG2 4.34Å
181Y94.4Very high90.2Very high0 Ų058 Ų580%029%0.289CS..EExtended strand (participates in β ladder)trans-113.3130.1172.5-59.8-96.9000108.6Y153 D158 Y160 A169 F170 R179 V206 I207 R209Y153-Y181 HydrophobicContact CE2-CE1 4.19Å; Y153-Y181 AromaticContact CE2-CZ 3.89Å; D158-Y181 WeakPolarHBondContact O-CE1 3.35Å; D158-Y181 VanDerWaalsContact OD1-CE1 3.32Å; D158-Y181 WeakPolarHBondContact OD1-CE1 3.46Å; D158-Y181 PolarHBondContact OD1-OH 3.16Å; Y160-Y181 AromaticContact CD2-CD1 3.95Å; Y160-Y181 HydrophobicContact CD2-CD1 3.95Å; Y160-Y181 AromaticContact CD2-CD2 3.6Å; Y160-Y181 HydrophobicContact CD2-CD2 3.6Å; Y160-Y181 HydrophobicContact CD2-CE1 4.35Å; Y160-Y181 HydrophobicContact CD2-CE2 4.05Å; Y160-Y181 AromaticContact CD2-CG 3.54Å; Y160-Y181 HydrophobicContact CD2-CG 3.54Å; Y160-Y181 AromaticContact CE2-CD2 3.61Å; Y160-Y181 HydrophobicContact CE2-CD2 3.61Å; Y160-Y181 AromaticContact CE2-CE2 3.73Å; Y160-Y181 HydrophobicContact CE2-CE2 3.73Å; Y160-Y181 HydrophobicContact CE2-CG 4.07Å; A169-Y181 WeakPolarHBondContact O-CA 3.34Å; F170-Y181 HydrophobicContact CB-CD1 4.08Å; F170-Y181 HydrophobicContact CB-CE1 3.87Å; F170-Y181 HydrophobicContact CD2-CE1 4.24Å; R179-Y181 HydrophobicContact CB-CE2 3.68Å; R179-Y181 PolarHBondContact NE-OH 3.13Å; R179-Y181 VanDerWaalsContact NE-OH 3.17Å; Y181-V206 CarbonylContact O-C 3.57Å; Y181-V206 WeakPolarHBondContact O-CA 3.47Å; Y181-I207 PolarHBondContact N-O 2.98Å; Y181-I207 PolarHBondContact O-N 3.22Å; Y181-R209 HydrophobicContact CD2-CB 4.48Å; Y181-R209 HydrophobicContact CE2-CB 3.78Å
182K93.9Very high90.2Very high57 Ų5761 Ų6125%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-122.2134.5-171.2-64.2-174.1179.9151.80110.6L168 A169 S171 E180 Q204 R205 V206L168-K182 WeakPolarHBondContact CA-O 3.41Å; A169-K182 PolarHBondContact N-O 3.37Å; A169-K182 PolarHBondContact O-N 3.19Å; S171-K182 WeakPolarHBondContact OG-CD 3.29Å; S171-K182 PolarHBondContact OG-NZ 3.34Å; S171-K182 VanDerWaalsContact OG-NZ 3.14Å; E180-K182 WeakPolarHBondContact OE2-CE 3.47Å; E180-K182 IonicContact OE2-NZ 3.9Å; E180-K182 PolarHBondContact OE2-NZ 3.42Å; K182-Q204 HydrophobicContact CB-CG 4.42Å; K182-R205 WeakPolarHBondContact CA-O 3.22Å; K182-V206 HydrophobicContact CG-CG1 4.34Å; K182-V206 HydrophobicContact CG-CG2 4.19Å
183S92.8Very high90.1Very high8 Ų861.9 Ų61.96%0.05631%0.31CS..EExtended strand (participates in β ladder)trans-74155.7171.270.50000111.1P185 C188 Q204 R205S183-P185 VanDerWaalsContact O-CD 3.28Å; S183-P185 WeakPolarHBondContact O-CD 3.33Å; S183-C188 VanDerWaalsContact CB-SG 3.53Å; S183-C188 PolarHBondContact OG-SG 3.02Å; S183-Q204 WeakPolarHBondContact O-CG 3.46Å; S183-Q204 PolarHBondContact O-NE2 2.8Å; S183-R205 PolarHBondContact N-O 2.97Å; S183-R205 PolarHBondContact OG-N 2.81Å
184N91.7Very high89.9Confident60 Ų6063 Ų6332%0.32132%0.316SS..  trans-74.4116.4171.4-174.7-2.4000109.8K186 E187 C188N184-K186 PolarHBondContact O-N 3.09Å; N184-K186 PolarHBondContact OD1-N 3.33Å; N184-E187 HydrophobicContact CB-CB 4.42Å; N184-E187 HydrophobicContact CB-CG 4.35Å; N184-E187 PolarHBondContact ND2-OE1 2.97Å; N184-E187 PolarHBondContact O-N 3.26Å; N184-C188 PolarHBondContact O-N 3.15Å; N184-C188 PolarHBondContact O-SG 3.38Å
185P90.5Very high89.7Confident45 Ų4568.5 Ų68.529%0.29234%0.344SS..Hα-helixtrans-56.6-35.8179-2737.2000113.1S183 E187 C188 V189 N202 Q204S183-P185 VanDerWaalsContact O-CD 3.28Å; S183-P185 WeakPolarHBondContact O-CD 3.33Å; P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.38Å; P185-C188 PolarHBondContact O-N 2.92Å; P185-V189 WeakPolarHBondContact O-CG2 3.17Å; P185-V189 PolarHBondContact O-N 3.42Å; P185-V189 VanDerWaalsContact O-N 3.07Å; P185-N202 WeakPolarHBondContact CB-O 3.4Å; P185-Q204 HydrophobicContact CG-CB 4.26Å; P185-Q204 HydrophobicContact CG-CG 4.5Å
186K89.8Confident89.9Confident177 Ų17768.8 Ų68.877%0.7735%0.35SS*.Hα-helixtrans-64.4-38.1-175.2-65.8-179.4178.3-179.50112.5N184N184-K186 PolarHBondContact O-N 3.09Å; N184-K186 PolarHBondContact OD1-N 3.33Å
187E88.3Confident90.1Very high83 Ų8362.7 Ų62.739%0.38832%0.323SS..Hα-helixtrans-75.3-38.5175.1-70.6155.9-149.700111.1Q166 N184 P185 V189 N190Q166-E187 PolarHBondContact OE1-OE2 2.9Å; N184-E187 HydrophobicContact CB-CB 4.42Å; N184-E187 HydrophobicContact CB-CG 4.35Å; N184-E187 PolarHBondContact ND2-OE1 2.97Å; N184-E187 PolarHBondContact O-N 3.26Å; P185-E187 VanDerWaalsContact C-N 3.34Å; P185-E187 PolarHBondContact O-N 3.38Å; E187-V189 PolarHBondContact O-N 3.22Å; E187-N190 PolarHBondContact O-N 3.02Å
188C90.1Very high90.1Very high21 Ų2163.8 Ų63.814%0.14233%0.33CS..Hα-helixtrans-70.5-27.8-174.8-65.90000113.8S183 N184 P185 N190 C191 H203S183-C188 VanDerWaalsContact CB-SG 3.53Å; S183-C188 PolarHBondContact OG-SG 3.02Å; N184-C188 PolarHBondContact O-N 3.15Å; N184-C188 PolarHBondContact O-SG 3.38Å; P185-C188 PolarHBondContact O-N 2.92Å; C188-N190 PolarHBondContact O-N 2.89Å; C188-C191 VanDerWaalsContact O-CB 3.25Å; C188-C191 WeakPolarHBondContact O-CB 3.47Å; C188-C191 PolarHBondContact O-N 3.23Å; C188-H203 HydrophobicContact CB-CB 4.4Å; C188-H203 WeakPolarHBondContact CB-O 3.22Å
189V88.7Confident89.7Confident75 Ų7567.5 Ų67.546%0.45535%0.348SS..THydrogen-bonded Turntrans-56-36.5179.5170.40000111.8P185 E187 H203P185-V189 WeakPolarHBondContact O-CG2 3.17Å; P185-V189 PolarHBondContact O-N 3.42Å; P185-V189 VanDerWaalsContact O-N 3.07Å; E187-V189 PolarHBondContact O-N 3.22Å; V189-H203 HydrophobicContact CG2-CB 4.13Å
190N88.2Confident89.5Confident144 Ų14467.7 Ų67.777%0.7736%0.356SS*.THydrogen-bonded Turntrans-97.98.5-178.6-61.7-32.6000113.1E187 C188E187-N190 PolarHBondContact O-N 3.02Å; C188-N190 PolarHBondContact O-N 2.89Å
191C89.8Confident89.1Confident34 Ų3474.7 Ų74.723%0.2339%0.385CS..  trans-77129.4-174.1-179.90000111.5C188 L193 L194C188-C191 VanDerWaalsContact O-CB 3.25Å; C188-C191 WeakPolarHBondContact O-CB 3.47Å; C188-C191 PolarHBondContact O-N 3.23Å; C191-L193 PolarHBondContact O-N 3.5Å; C191-L194 HydrophobicContact CB-CB 4.47Å; C191-L194 WeakPolarHBondContact O-CB 3.43Å; C191-L194 PolarHBondContact O-N 3.12Å; C191-L194 VanDerWaalsContact O-N 3.12Å
192P89.6Confident88.8Confident102 Ų10280 Ų8066%0.66241%0.414SS*.THydrogen-bonded Turntrans-63.5-26.7179.125.2-34.3000112.9
193L89.4Confident88.5Confident42 Ų4280.7 Ų80.722%0.2242%0.418CS..THydrogen-bonded Turntrans-89.55.6179.6-62.4-178.9000113.6P163 Q164 C191 N195 Q196 C197P163-L193 HydrophobicContact CB-CD1 4.19Å; Q164-L193 HydrophobicContact CG-CD1 3.86Å; Q164-L193 HydrophobicContact CG-CG 4.35Å; C191-L193 PolarHBondContact O-N 3.5Å; L193-N195 VanDerWaalsContact C-N 3.29Å; L193-N195 PolarHBondContact O-N 3.24Å; L193-Q196 CarbonylContact O-C 3.49Å; L193-Q196 WeakPolarHBondContact O-CA 3.43Å; L193-Q196 PolarHBondContact O-N 3.12Å; L193-C197 WeakPolarHBondContact O-CB 3.29Å; L193-C197 PolarHBondContact O-N 3.4Å
194L87.1Confident88.3Confident26 Ų2682.7 Ų82.714%0.13643%0.426CS..Hα-helixtrans-52.7-44.9-173.6179.762.2000113C191 Q196 C197 T198 H203C191-L194 HydrophobicContact CB-CB 4.47Å; C191-L194 WeakPolarHBondContact O-CB 3.43Å; C191-L194 PolarHBondContact O-N 3.12Å; C191-L194 VanDerWaalsContact O-N 3.12Å; L194-Q196 PolarHBondContact O-N 2.86Å; L194-C197 PolarHBondContact O-N 3.23Å; L194-C197 VanDerWaalsContact O-N 3.09Å; L194-T198 HydrophobicContact CD1-CG2 3.82Å; L194-T198 PolarHBondContact O-N 2.72Å; L194-H203 HydrophobicContact CD1-CB 3.88Å; L194-H203 WeakPolarHBondContact CD2-ND1 3.49Å
195N86.2Confident88.3Confident146 Ų14681.7 Ų81.778%0.78142%0.418SS*.Hα-helixtrans-62.3-30178.8-73.1-24.6000113.5L193L193-N195 VanDerWaalsContact C-N 3.29Å; L193-N195 PolarHBondContact O-N 3.24Å
196Q88.5Confident88.4Confident107 Ų10782.5 Ų82.550%0.542%0.422SS..Hα-helixtrans-91.2-21.8176.3-58.8-177.736.600111.5L145 L146 L193 L194L145-Q196 CarbonylContact C-O 3.57Å; L145-Q196 WeakPolarHBondContact CA-O 3.42Å; L145-Q196 VanDerWaalsContact CD2-O 3.23Å; L145-Q196 WeakPolarHBondContact CD2-O 3.46Å; L146-Q196 HydrophobicContact CG-CB 4.4Å; L146-Q196 PolarHBondContact N-O 3.16Å; L193-Q196 CarbonylContact O-C 3.49Å; L193-Q196 WeakPolarHBondContact O-CA 3.43Å; L193-Q196 PolarHBondContact O-N 3.12Å; L194-Q196 PolarHBondContact O-N 2.86Å
197C88.1Confident88.5Confident17 Ų1774.3 Ų74.312%0.11539%0.387CS..Hα-helixtrans-85.4-51-175.2-175.10000112.9L146 L193 L194 R205L146-C197 HydrophobicContact CD1-CB 3.96Å; L193-C197 WeakPolarHBondContact O-CB 3.29Å; L193-C197 PolarHBondContact O-N 3.4Å; L194-C197 PolarHBondContact O-N 3.23Å; L194-C197 VanDerWaalsContact O-N 3.09Å; C197-R205 WeakPolarHBondContact O-CD 3.38Å; C197-R205 PolarHBondContact O-NH1 2.7Å
198T86.4Confident88.7Confident23 Ų2373.6 Ų73.614%0.14139%0.388CS..  trans-149.1146.5-173.4-173.20000112.3L194 S200 Q204L194-T198 HydrophobicContact CD1-CG2 3.82Å; L194-T198 PolarHBondContact O-N 2.72Å; T198-S200 VanDerWaalsContact OG1-CB 3.27Å; T198-S200 WeakPolarHBondContact OG1-CB 3.39Å; T198-S200 PolarHBondContact OG1-N 3.35Å; T198-S200 VanDerWaalsContact OG1-N 3.1Å; T198-Q204 PolarHBondContact OG1-O 3.33Å
199K85.2Confident88.8Confident162 Ų16272.9 Ų72.970%0.70438%0.382SS*.  trans-100.411.4169.1-65.5-174.3178.3-170.60112.1L145L145-K199 HydrophobicContact CD1-CD 4.39Å; L145-K199 HydrophobicContact CD1-CG 4.27Å; L145-K199 HydrophobicContact CD2-CG 4.26Å
200S86.8Confident88.9Confident47 Ų4770.4 Ų70.433%0.32937%0.366SS..  trans-68136179.7-1770000110.5T198 N202 H203 Q204T198-S200 VanDerWaalsContact OG1-CB 3.27Å; T198-S200 WeakPolarHBondContact OG1-CB 3.39Å; T198-S200 PolarHBondContact OG1-N 3.35Å; T198-S200 VanDerWaalsContact OG1-N 3.1Å; S200-N202 PolarHBondContact O-N 2.74Å; S200-N202 PolarHBondContact OG-N 2.56Å; S200-H203 PolarHBondContact O-N 2.88Å; S200-H203 VanDerWaalsContact O-N 3.09Å; S200-Q204 WeakPolarHBondContact CB-O 3.25Å
201K85.6Confident89.1Confident192 Ų19263.9 Ų63.984%0.83533%0.331SS*.THydrogen-bonded Turntrans-60.6-28.4173.8-67-174.6177.4-175.90112.4H203K201-H203 PolarHBondContact O-N 2.76Å
202N88.1Confident89.2Confident112 Ų11263.3 Ų63.360%0.59932%0.324SS*.THydrogen-bonded Turntrans-87.77.9-179.3-61.4-1.4000112.3P185 S200 Q204P185-N202 WeakPolarHBondContact CB-O 3.4Å; S200-N202 PolarHBondContact O-N 2.74Å; S200-N202 PolarHBondContact OG-N 2.56Å; N202-Q204 PolarHBondContact O-N 3.39Å
203H86.9Confident89.2Confident72 Ų7258.7 Ų58.733%0.33330%0.295SS..  trans53.921.8-175.8-53.8-60000114.3C188 V189 L194 S200 K201C188-H203 HydrophobicContact CB-CB 4.4Å; C188-H203 WeakPolarHBondContact CB-O 3.22Å; V189-H203 HydrophobicContact CG2-CB 4.13Å; L194-H203 HydrophobicContact CD1-CB 3.88Å; L194-H203 WeakPolarHBondContact CD2-ND1 3.49Å; S200-H203 PolarHBondContact O-N 2.88Å; S200-H203 VanDerWaalsContact O-N 3.09Å; K201-H203 PolarHBondContact O-N 2.76Å
204Q90.3Very high89.3Confident49 Ų4960.2 Ų60.223%0.22930%0.303CS..  trans-98.6134.3-179.2-171.7167.966.300111.1K182 S183 P185 T198 S200 N202 V206K182-Q204 HydrophobicContact CB-CG 4.42Å; S183-Q204 WeakPolarHBondContact O-CG 3.46Å; S183-Q204 PolarHBondContact O-NE2 2.8Å; P185-Q204 HydrophobicContact CG-CB 4.26Å; P185-Q204 HydrophobicContact CG-CG 4.5Å; T198-Q204 PolarHBondContact OG1-O 3.33Å; S200-Q204 WeakPolarHBondContact CB-O 3.25Å; N202-Q204 PolarHBondContact O-N 3.39Å; Q204-V206 HydrophobicContact CG-CG2 4.48Å
205R91.4Very high89.6Confident39 Ų3960.6 Ų60.615%0.14731%0.305CS..  trans-95.8132.9167.9-178.566.8-179.7-159.4-4108.6L146 F151 L168 K182 S183 C197 I207L146-R205 PolarHBondContact O-NH1 3.3Å; L146-R205 PolarHBondContact O-NH2 3.24Å; F151-R205 HydrophobicContact CE1-CG 4.19Å; F151-R205 HydrophobicContact CZ-CG 3.91Å; L168-R205 HydrophobicContact CD2-CB 4.47Å; L168-R205 HydrophobicContact CD2-CG 4.21Å; K182-R205 WeakPolarHBondContact CA-O 3.22Å; S183-R205 PolarHBondContact N-O 2.97Å; S183-R205 PolarHBondContact OG-N 2.81Å; C197-R205 WeakPolarHBondContact O-CD 3.38Å; C197-R205 PolarHBondContact O-NH1 2.7Å; R205-I207 HydrophobicContact CG-CG1 4.29Å
206V92.1Very high89.8Confident62 Ų6255.4 Ų55.438%0.37628%0.277SS..EExtended strand (participates in β ladder)trans-117.3125.4173.7-173.10000108.3E180 Y181 K182 Q204E180-V206 HydrophobicContact CB-CG1 4.23Å; E180-V206 HydrophobicContact CG-CG1 4.35Å; Y181-V206 CarbonylContact O-C 3.57Å; Y181-V206 WeakPolarHBondContact O-CA 3.47Å; K182-V206 HydrophobicContact CG-CG1 4.34Å; K182-V206 HydrophobicContact CG-CG2 4.19Å; Q204-V206 HydrophobicContact CG-CG2 4.48Å
207I92.1Very high89.9Confident5 Ų553.4 Ų53.43%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-113.5133.8174-63.1-176.4000108.3K148 F151 Y160 L168 E180 Y181 R205K148-I207 HydrophobicContact CD-CG2 4.1Å; K148-I207 HydrophobicContact CG-CG2 4.03Å; F151-I207 HydrophobicContact CB-CD1 3.58Å; F151-I207 HydrophobicContact CD1-CD1 3.33Å; F151-I207 HydrophobicContact CD2-CD1 3.52Å; F151-I207 HydrophobicContact CE1-CD1 3.8Å; F151-I207 HydrophobicContact CE2-CD1 3.99Å; F151-I207 HydrophobicContact CG-CD1 3.17Å; F151-I207 HydrophobicContact CZ-CD1 4.11Å; Y160-I207 HydrophobicContact CD1-CD1 4.33Å; Y160-I207 HydrophobicContact CD1-CG2 4.35Å; Y160-I207 HydrophobicContact CD2-CG2 4.07Å; Y160-I207 HydrophobicContact CE1-CG2 4.21Å; Y160-I207 HydrophobicContact CE2-CG2 3.92Å; Y160-I207 HydrophobicContact CG-CD1 4.3Å; Y160-I207 HydrophobicContact CG-CG2 4.28Å; L168-I207 HydrophobicContact CD2-CD1 3.75Å; L168-I207 HydrophobicContact CD2-CG1 3.91Å; E180-I207 WeakPolarHBondContact CA-O 3.45Å; Y181-I207 PolarHBondContact N-O 2.98Å; Y181-I207 PolarHBondContact O-N 3.22Å; R205-I207 HydrophobicContact CG-CG1 4.29Å
208T92.2Very high90.2Very high68 Ų6857.2 Ų57.242%0.41729%0.285SS..EExtended strand (participates in β ladder)trans-106.8131.217755.40000110.3K148 R179 E180K148-T208 PolarHBondContact NZ-O 3.4Å; R179-T208 CarbonylContact O-C 3.56Å; R179-T208 VanDerWaalsContact O-CA 3.3Å; R179-T208 WeakPolarHBondContact O-CA 3.38Å; E180-T208 HydrophobicContact CG-CG2 4.34Å
209R91.8Very high90.5Very high7 Ų756.2 Ų56.23%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-119.7132.1169.9-169.8-179.717977.58.9107.5Y160 Y178 R179 Y181 G213 D214 D217Y160-R209 HydrophobicContact CE2-CB 4.2Å; Y160-R209 PolarHBondContact OH-NH1 3.38Å; Y178-R209 CarbonylContact C-O 3.59Å; Y178-R209 WeakPolarHBondContact CA-O 3.43Å; R179-R209 PolarHBondContact N-O 3.28Å; R179-R209 PolarHBondContact O-N 2.96Å; Y181-R209 HydrophobicContact CD2-CB 4.48Å; Y181-R209 HydrophobicContact CE2-CB 3.78Å; R209-G213 PolarHBondContact NH2-O 3.27Å; R209-D214 IonicContact CZ-OD1 2.7Å; R209-D214 IonicContact NE-OD1 2.76Å; R209-D214 PolarHBondContact NE-OD1 3.36Å; R209-D214 IonicContact NH2-OD1 3.34Å; R209-D214 PolarHBondContact NH2-OD1 3.25Å; R209-D217 IonicContact CZ-OD2 2.56Å; R209-D217 IonicContact NH1-OD1 3.04Å; R209-D217 IonicContact NH1-OD2 3.97Å; R209-D217 PolarHBondContact NH1-OD2 3.27Å; R209-D217 IonicContact NH2-OD2 2.73Å; R209-D217 PolarHBondContact NH2-OD2 3.39Å
210H92.2Very high90.8Very high22 Ų2250.8 Ų50.810%0.10226%0.256CS..EExtended strand (participates in β ladder)trans-67.2154.3175.2-169.7-90.5000109.3P119 G177 Y178 W212 G213P119-H210 HydrophobicContact CB-CB 4.46Å; P119-H210 WeakPolarHBondContact CB-ND1 3.12Å; P119-H210 HydrophobicContact CG-CB 4.08Å; G177-H210 CarbonylContact O-C 3.32Å; G177-H210 WeakPolarHBondContact O-CA 3.25Å; G177-H210 PolarHBondContact O-CD2 2.81Å; Y178-H210 HydrophobicContact CD1-CB 4.04Å; Y178-H210 HydrophobicContact CE1-CB 3.94Å; Y178-H210 AromaticContact CE1-CD2 3.9Å; Y178-H210 AromaticContact CZ-CD2 3.94Å; H210-W212 VanDerWaalsContact C-N 3.29Å; H210-W212 AromaticContact CE1-CD2 3.88Å; H210-W212 AromaticContact CE1-CE3 3.49Å; H210-W212 VanDerWaalsContact CE1-CE3 3.49Å; H210-W212 PolarHBondContact ND1-N 3.1Å; H210-W212 PolarHBondContact O-N 3.4Å; H210-G213 VanDerWaalsContact O-CA 3.32Å; H210-G213 WeakPolarHBondContact O-CA 3.49Å; H210-G213 PolarHBondContact O-N 2.96Å
211V91.3Very high91Very high8 Ų854.8 Ų54.85%0.04827%0.27CS..THydrogen-bonded Turntrans-51.2-49.3174.5160.30000110.8E16 I17 V173 G177 G213E16-V211 HydrophobicContact CB-CG1 4.3Å; E16-V211 HydrophobicContact CG-CG1 3.44Å; E16-V211 VanDerWaalsContact CG-CG1 3.44Å; I17-V211 HydrophobicContact CG1-CG2 4.25Å; V173-V211 HydrophobicContact CG1-CG2 4.06Å; G177-V211 WeakPolarHBondContact O-CG2 3.4Å; G177-V211 PolarHBondContact O-N 2.95Å; V211-G213 PolarHBondContact O-N 2.84Å; V211-G213 VanDerWaalsContact O-N 3.11Å
212W91.4Very high91.4Very high22 Ų2246.8 Ų46.88%0.08324%0.236CC..THydrogen-bonded Turntrans-81.436.4169.6-52.9-38.9000114.6L13 P119 K120 H123 H210 D214 L215L13-W212 HydrophobicContact CB-CH2 3.78Å; L13-W212 HydrophobicContact CB-CZ2 4.07Å; L13-W212 HydrophobicContact CD1-CD2 4.45Å; L13-W212 HydrophobicContact CD1-CE3 4.4Å; L13-W212 HydrophobicContact CD1-CH2 3.88Å; L13-W212 HydrophobicContact CD1-CZ2 3.92Å; L13-W212 HydrophobicContact CD1-CZ3 4.09Å; L13-W212 HydrophobicContact CG-CH2 4.26Å; P119-W212 HydrophobicContact CB-CB 4.32Å; P119-W212 HydrophobicContact CB-CE3 4.09Å; K120-W212 HydrophobicContact CB-CZ3 3.96Å; K120-W212 HydrophobicContact CG-CZ3 4.19Å; H123-W212 HydrophobicContact CB-CD2 3.83Å; H123-W212 HydrophobicContact CB-CE3 3.76Å; H123-W212 HydrophobicContact CB-CG 4.35Å; H123-W212 HydrophobicContact CB-CH2 4.39Å; H123-W212 HydrophobicContact CB-CZ2 4.45Å; H123-W212 HydrophobicContact CB-CZ3 4.09Å; H123-W212 AromaticContact CD2-CD1 3.79Å; H123-W212 AromaticContact CD2-CD2 3.86Å; H123-W212 AromaticContact CD2-CE2 3.51Å; H123-W212 AromaticContact CD2-CZ2 3.97Å; H123-W212 AromaticContact CD2-NE1 3.48Å; H123-W212 PolarHBondContact CD2-NE1 3.18Å; H123-W212 AromaticContact CE1-CZ2 3.86Å; H123-W212 AromaticContact CG-CD2 3.84Å; H123-W212 AromaticContact CG-CE2 3.68Å; H123-W212 AromaticContact CG-CZ2 3.82Å; H123-W212 AromaticContact ND1-CZ2 3.76Å; H123-W212 AromaticContact NE2-CE2 3.85Å; H123-W212 AromaticContact NE2-NE1 3.7Å; H210-W212 VanDerWaalsContact C-N 3.29Å; H210-W212 AromaticContact CE1-CD2 3.88Å; H210-W212 AromaticContact CE1-CE3 3.49Å; H210-W212 VanDerWaalsContact CE1-CE3 3.49Å; H210-W212 PolarHBondContact ND1-N 3.1Å; H210-W212 PolarHBondContact O-N 3.4Å; W212-D214 VanDerWaalsContact C-N 3.3Å; W212-D214 PolarHBondContact O-N 2.91Å; W212-L215 HydrophobicContact CB-CD1 4.21Å
213G90.3Very high91.6Very high4 Ų444.2 Ų44.24%0.04122%0.218CC..Hα-helixtrans-63.9-36.3-179.200000112.5R209 H210 V211 L215 M216 D217R209-G213 PolarHBondContact NH2-O 3.27Å; H210-G213 VanDerWaalsContact O-CA 3.32Å; H210-G213 WeakPolarHBondContact O-CA 3.49Å; H210-G213 PolarHBondContact O-N 2.96Å; V211-G213 PolarHBondContact O-N 2.84Å; V211-G213 VanDerWaalsContact O-N 3.11Å; G213-L215 VanDerWaalsContact C-N 3.35Å; G213-L215 PolarHBondContact O-N 3.09Å; G213-M216 WeakPolarHBondContact O-CA 3.44Å; G213-M216 VanDerWaalsContact O-CB 3.32Å; G213-M216 WeakPolarHBondContact O-CB 3.35Å; G213-M216 PolarHBondContact O-N 3.44Å; G213-D217 PolarHBondContact O-N 3.25Å
214D91.1Very high91.9Very high74 Ų7445.1 Ų45.140%0.39623%0.225SC..Hα-helixtrans-66.2-39.5-175.4-48.9-35.6000111.2R209 W212 M216 D217 E218R209-D214 IonicContact CZ-OD1 2.7Å; R209-D214 IonicContact NE-OD1 2.76Å; R209-D214 PolarHBondContact NE-OD1 3.36Å; R209-D214 IonicContact NH2-OD1 3.34Å; R209-D214 PolarHBondContact NH2-OD1 3.25Å; W212-D214 VanDerWaalsContact C-N 3.3Å; W212-D214 PolarHBondContact O-N 2.91Å; D214-M216 PolarHBondContact O-N 2.78Å; D214-D217 PolarHBondContact O-N 2.73Å; D214-E218 PolarHBondContact O-N 3.49Å
215L92.7Very high92.1Very high34 Ų3445.2 Ų45.218%0.17823%0.229CC..Hα-helixtrans-60.7-34.7171.9-62.6-176.9000112.5V122 H123 T126 W212 G213 V219V122-L215 HydrophobicContact CG1-CB 3.86Å; H123-L215 HydrophobicContact CB-CD1 3.97Å; T126-L215 HydrophobicContact CG2-CD2 4.15Å; W212-L215 HydrophobicContact CB-CD1 4.21Å; G213-L215 VanDerWaalsContact C-N 3.35Å; G213-L215 PolarHBondContact O-N 3.09Å; L215-V219 VanDerWaalsContact O-CG2 3.22Å; L215-V219 WeakPolarHBondContact O-CG2 3.27Å; L215-V219 PolarHBondContact O-N 3.02Å
216M91.8Very high92.3Very high37 Ų3749.5 Ų49.518%0.18226%0.255CS..Hα-helixtrans-72-36.9177.9-66.6-66.3-59.200111.9K117 P119 V122 G213 D214 V219 E220K117-M216 HydrophobicContact CD-CE 4.39Å; K117-M216 HydrophobicContact CG-CE 3.8Å; P119-M216 HydrophobicContact CB-CG 4.33Å; P119-M216 HydrophobicContact CB-SD 4.36Å; P119-M216 HydrophobicContact CG-CG 4.14Å; P119-M216 HydrophobicContact CG-SD 4.15Å; V122-M216 HydrophobicContact CB-SD 4.23Å; V122-M216 HydrophobicContact CG2-SD 3.76Å; G213-M216 WeakPolarHBondContact O-CA 3.44Å; G213-M216 VanDerWaalsContact O-CB 3.32Å; G213-M216 WeakPolarHBondContact O-CB 3.35Å; G213-M216 PolarHBondContact O-N 3.44Å; D214-M216 PolarHBondContact O-N 2.78Å; M216-V219 PolarHBondContact O-N 3.3Å; M216-E220 PolarHBondContact O-N 3.06Å; M216-E220 VanDerWaalsContact O-N 3.1Å
217D91.1Very high92.3Very high66 Ų6651.1 Ų51.135%0.35326%0.261SS..Hα-helixtrans-68.4-42.1175-69.4-7.4000110R209 G213 D214 V219 E220 H221R209-D217 IonicContact CZ-OD2 2.56Å; R209-D217 IonicContact NH1-OD1 3.04Å; R209-D217 IonicContact NH1-OD2 3.97Å; R209-D217 PolarHBondContact NH1-OD2 3.27Å; R209-D217 IonicContact NH2-OD2 2.73Å; R209-D217 PolarHBondContact NH2-OD2 3.39Å; G213-D217 PolarHBondContact O-N 3.25Å; D214-D217 PolarHBondContact O-N 2.73Å; D217-V219 PolarHBondContact O-N 3.02Å; D217-E220 WeakPolarHBondContact O-CA 3.37Å; D217-E220 WeakPolarHBondContact O-CB 3.36Å; D217-E220 PolarHBondContact O-N 3.28Å; D217-H221 PolarHBondContact O-CD2 3.43Å; D217-H221 PolarHBondContact O-N 3.07Å
218E92.4Very high92.4Very high96 Ų9651 Ų5145%0.44926%0.26SS..Hα-helixtrans-56.3-50.3172.1-168.1-170.216700111.2D214 E220 H221 L222D214-E218 PolarHBondContact O-N 3.49Å; E218-E220 PolarHBondContact O-N 3.06Å; E218-H221 CarbonylContact O-C 3.48Å; E218-H221 WeakPolarHBondContact O-CA 3.45Å; E218-H221 WeakPolarHBondContact O-CB 3.23Å; E218-H221 PolarHBondContact O-N 2.87Å; E218-L222 HydrophobicContact CG-CG 4.29Å; E218-L222 VanDerWaalsContact O-CG 3.3Å; E218-L222 WeakPolarHBondContact O-CG 3.36Å; E218-L222 PolarHBondContact O-N 3.12Å
219V93.2Very high92.5Very high2 Ų252 Ų521%0.01226%0.259CS..Hα-helixtrans-54.5-38.3175.3168.40000112V122 P132 L134 L215 M216 D217 L222 R223V122-V219 HydrophobicContact CB-CG2 4.31Å; V122-V219 HydrophobicContact CG1-CG2 3.42Å; V122-V219 VanDerWaalsContact CG1-CG2 3.42Å; V122-V219 HydrophobicContact CG2-CG2 3.86Å; P132-V219 HydrophobicContact CB-CG2 4.03Å; P132-V219 HydrophobicContact CG-CG2 3.55Å; L134-V219 HydrophobicContact CB-CG1 4.19Å; L134-V219 HydrophobicContact CD1-CG1 4.1Å; L215-V219 VanDerWaalsContact O-CG2 3.22Å; L215-V219 WeakPolarHBondContact O-CG2 3.27Å; L215-V219 PolarHBondContact O-N 3.02Å; M216-V219 PolarHBondContact O-N 3.3Å; D217-V219 PolarHBondContact O-N 3.02Å; V219-L222 PolarHBondContact O-N 2.91Å; V219-R223 WeakPolarHBondContact O-CB 3.45Å; V219-R223 PolarHBondContact O-N 3.48Å
220E91.4Very high92.6Very high48 Ų4854.5 Ų54.522%0.22428%0.277CS..Hα-helixtrans-68.5-39.1178.3-16561.2-15500111.8K117 M216 D217 E218 R223K117-E220 IonicContact NZ-OE2 3.43Å; K117-E220 PolarHBondContact NZ-OE2 2.76Å; M216-E220 PolarHBondContact O-N 3.06Å; M216-E220 VanDerWaalsContact O-N 3.1Å; D217-E220 WeakPolarHBondContact O-CA 3.37Å; D217-E220 WeakPolarHBondContact O-CB 3.36Å; D217-E220 PolarHBondContact O-N 3.28Å; E218-E220 PolarHBondContact O-N 3.06Å; E220-R223 WeakPolarHBondContact O-CB 3.23Å; E220-R223 PolarHBondContact O-N 3.04Å; E220-R223 IonicContact OE1-CZ 2.77Å; E220-R223 IonicContact OE1-NE 3.95Å; E220-R223 PolarHBondContact OE1-NE 3.42Å; E220-R223 IonicContact OE1-NH2 2.71Å; E220-R223 PolarHBondContact OE1-NH2 3.02Å; E220-R223 IonicContact OE2-NE 2.79Å
221H92.6Very high92.6Very high131 Ų13154.7 Ų54.761%0.60628%0.279SS*.Hα-helixtrans-64.2-48170.4-66.5-61.8000111.6D217 E218 R223 L224D217-H221 PolarHBondContact O-CD2 3.43Å; D217-H221 PolarHBondContact O-N 3.07Å; E218-H221 CarbonylContact O-C 3.48Å; E218-H221 WeakPolarHBondContact O-CA 3.45Å; E218-H221 WeakPolarHBondContact O-CB 3.23Å; E218-H221 PolarHBondContact O-N 2.87Å; H221-R223 PolarHBondContact O-N 3.31Å; H221-L224 WeakPolarHBondContact O-CB 3.47Å; H221-L224 PolarHBondContact O-N 2.86Å
222L93.1Very high92.7Very high25 Ų2557 Ų5713%0.13129%0.287CS..Hα-helixtrans-58.2-38.5178.3-63.8-169.7000111.2R131 P132 E218 V219 L224 T225 N228R131-L222 HydrophobicContact CG-CD1 4.44Å; R131-L222 VanDerWaalsContact NH1-CD2 3.32Å; P132-L222 HydrophobicContact CG-CD1 4.13Å; E218-L222 HydrophobicContact CG-CG 4.29Å; E218-L222 VanDerWaalsContact O-CG 3.3Å; E218-L222 WeakPolarHBondContact O-CG 3.36Å; E218-L222 PolarHBondContact O-N 3.12Å; V219-L222 PolarHBondContact O-N 2.91Å; L222-L224 PolarHBondContact O-N 2.93Å; L222-T225 PolarHBondContact O-N 2.91Å; L222-T225 VanDerWaalsContact O-N 3.13Å; L222-T225 PolarHBondContact O-OG1 3.03Å; L222-N228 WeakPolarHBondContact O-CB 3.49Å; L222-N228 PolarHBondContact O-ND2 2.94Å
223R92.9Very high92.7Very high58 Ų5863.2 Ų63.222%0.21931%0.314CS..Hα-helixtrans-57.6-31.9176.6-175.7-171.76668-1.5112.9L134 Y136 V219 E220 H221 T225L134-R223 WeakPolarHBondContact O-CG 3.41Å; Y136-R223 VanDerWaalsContact N-CD 3.32Å; V219-R223 WeakPolarHBondContact O-CB 3.45Å; V219-R223 PolarHBondContact O-N 3.48Å; E220-R223 WeakPolarHBondContact O-CB 3.23Å; E220-R223 PolarHBondContact O-N 3.04Å; E220-R223 IonicContact OE1-CZ 2.77Å; E220-R223 IonicContact OE1-NE 3.95Å; E220-R223 PolarHBondContact OE1-NE 3.42Å; E220-R223 IonicContact OE1-NH2 2.71Å; E220-R223 PolarHBondContact OE1-NH2 3.02Å; E220-R223 IonicContact OE2-NE 2.79Å; H221-R223 PolarHBondContact O-N 3.31Å; R223-T225 VanDerWaalsContact C-N 3.32Å
224L92.3Very high92.8Very high90 Ų9067 Ų6747%0.47133%0.33SS..Hα-helixtrans-79.3-15.1-178.6-67173.7000113.1H221 L222 K229H221-L224 WeakPolarHBondContact O-CB 3.47Å; H221-L224 PolarHBondContact O-N 2.86Å; L222-L224 PolarHBondContact O-N 2.93Å; L224-K229 WeakPolarHBondContact O-CE 3.48Å; L224-K229 PolarHBondContact O-NZ 3.27Å
225T94.9Very high92.8Very high52 Ų5265.7 Ų65.732%0.31932%0.319SS..SBendtrans-69.4148.6177.774.50000111.8R131 L222 R223 L227 N228 K229R131-T225 PolarHBondContact NH2-OG1 2.96Å; L222-T225 PolarHBondContact O-N 2.91Å; L222-T225 VanDerWaalsContact O-N 3.13Å; L222-T225 PolarHBondContact O-OG1 3.03Å; R223-T225 VanDerWaalsContact C-N 3.32Å; T225-L227 PolarHBondContact O-N 3.1Å; T225-N228 PolarHBondContact O-N 2.95Å; T225-N228 PolarHBondContact OG1-N 3.33Å; T225-K229 WeakPolarHBondContact O-CG 3.39Å; T225-K229 PolarHBondContact O-N 2.9Å
226D94.5Very high92.6Very high128 Ų12871.4 Ų71.468%0.68434%0.343SS*.Hα-helixtrans-65-31.1-179.8-65.7-35.3000112.4K229 S230D226-K229 PolarHBondContact O-N 3.31Å; D226-K229 IonicContact OD1-NZ 2.76Å; D226-S230 VanDerWaalsContact O-CB 3.29Å; D226-S230 WeakPolarHBondContact O-CB 3.42Å; D226-S230 PolarHBondContact O-N 3.27Å; D226-S230 PolarHBondContact O-OG 3.24Å; D226-S230 VanDerWaalsContact O-OG 3.07Å
227L94.1Very high92.5Very high97 Ų9776.2 Ų76.251%0.50837%0.365SS..Hα-helixtrans-58.6-54172.7-177.663.2000111.2T225 K229 S230 I231T225-L227 PolarHBondContact O-N 3.1Å; L227-K229 PolarHBondContact O-N 2.92Å; L227-S230 PolarHBondContact O-N 2.8Å; L227-S230 PolarHBondContact O-OG 2.73Å; L227-I231 HydrophobicContact CD1-CD1 3.81Å; L227-I231 HydrophobicContact CD1-CG1 4.4Å; L227-I231 HydrophobicContact CG-CD1 3.92Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.36Å; L227-I231 PolarHBondContact O-N 3.34Å
228N93.5Very high92.5Very high3 Ų374 Ų742%0.01635%0.353CS..Hα-helixtrans-67.5-38.8-179.1-80.432.9000111.9R131 P132 L222 T225 S230 Y232R131-N228 PolarHBondContact NE-OD1 3.49Å; R131-N228 PolarHBondContact NH2-OD1 3.35Å; P132-N228 PolarHBondContact O-ND2 3.39Å; P132-N228 VanDerWaalsContact O-ND2 3.09Å; L222-N228 WeakPolarHBondContact O-CB 3.49Å; L222-N228 PolarHBondContact O-ND2 2.94Å; T225-N228 PolarHBondContact O-N 2.95Å; T225-N228 PolarHBondContact OG1-N 3.33Å; N228-S230 VanDerWaalsContact C-N 3.33Å; N228-S230 PolarHBondContact O-N 3.44Å; N228-Y232 WeakPolarHBondContact O-CB 3.4Å; N228-Y232 PolarHBondContact O-N 3.1Å
229K93.5Very high92.5Very high88 Ų8870.8 Ų70.838%0.38334%0.339SS..Hα-helixtrans-59.9-43.8175.6-73.2170.4177.61570111.6L224 T225 D226 L227 K233L224-K229 WeakPolarHBondContact O-CE 3.48Å; L224-K229 PolarHBondContact O-NZ 3.27Å; T225-K229 WeakPolarHBondContact O-CG 3.39Å; T225-K229 PolarHBondContact O-N 2.9Å; D226-K229 PolarHBondContact O-N 3.31Å; D226-K229 IonicContact OD1-NZ 2.76Å; L227-K229 PolarHBondContact O-N 2.92Å; K229-K233 VanDerWaalsContact O-CG 3.26Å; K229-K233 WeakPolarHBondContact O-CG 3.37Å; K229-K233 PolarHBondContact O-N 3.14Å
230S93.7Very high92.4Very high59 Ų5974.3 Ų74.341%0.41336%0.356SS..Hα-helixtrans-68.3-45.5-179.165.80000111.8D226 L227 N228 K233D226-S230 VanDerWaalsContact O-CB 3.29Å; D226-S230 WeakPolarHBondContact O-CB 3.42Å; D226-S230 PolarHBondContact O-N 3.27Å; D226-S230 PolarHBondContact O-OG 3.24Å; D226-S230 VanDerWaalsContact O-OG 3.07Å; L227-S230 PolarHBondContact O-N 2.8Å; L227-S230 PolarHBondContact O-OG 2.73Å; N228-S230 VanDerWaalsContact C-N 3.33Å; N228-S230 PolarHBondContact O-N 3.44Å; S230-K233 PolarHBondContact O-N 3.13Å
231I93.5Very high92.5Very high27 Ų2779.4 Ų79.414%0.13837%0.373CS..Hα-helixtrans-62.1-47.9176.1-65.2169000110.4V111 L227 K233 K234V111-I231 HydrophobicContact CG2-CG2 3.46Å; V111-I231 VanDerWaalsContact CG2-CG2 3.46Å; L227-I231 HydrophobicContact CD1-CD1 3.81Å; L227-I231 HydrophobicContact CD1-CG1 4.4Å; L227-I231 HydrophobicContact CG-CD1 3.92Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.36Å; L227-I231 PolarHBondContact O-N 3.34Å; I231-K233 VanDerWaalsContact C-N 3.28Å; I231-K233 PolarHBondContact O-N 2.77Å; I231-K234 WeakPolarHBondContact O-CB 3.37Å; I231-K234 PolarHBondContact O-N 2.71Å
232Y92.9Very high92.6Very high57 Ų5773.7 Ų73.722%0.22435%0.346CS..Hα-helixtrans-62.2-34-177.3-167.7-95.8000112.7V111 P135 N228 K234 R235V111-Y232 HydrophobicContact CG1-CD2 3.81Å; V111-Y232 HydrophobicContact CG1-CE2 4.14Å; P135-Y232 HydrophobicContact CB-CE1 3.98Å; P135-Y232 HydrophobicContact CB-CE2 3.98Å; P135-Y232 VanDerWaalsContact CB-CZ 3.49Å; P135-Y232 VanDerWaalsContact CB-OH 3.29Å; P135-Y232 WeakPolarHBondContact CB-OH 3.44Å; P135-Y232 HydrophobicContact CG-CE2 4.04Å; P135-Y232 VanDerWaalsContact CG-OH 3.26Å; P135-Y232 WeakPolarHBondContact CG-OH 3.43Å; N228-Y232 WeakPolarHBondContact O-CB 3.4Å; N228-Y232 PolarHBondContact O-N 3.1Å; Y232-K234 VanDerWaalsContact C-N 3.25Å; Y232-K234 PolarHBondContact O-N 3.12Å; Y232-R235 VanDerWaalsContact O-CB 3.26Å; Y232-R235 WeakPolarHBondContact O-CB 3.23Å; Y232-R235 PolarHBondContact O-N 3.04Å; Y232-R235 PolarHBondContact OH-NH1 2.96Å; Y232-R235 VanDerWaalsContact OH-NH1 3.12Å
233K91.8Very high92.6Very high151 Ų15175.4 Ų75.466%0.65735%0.353SS*.Hα-helixtrans-59.9-33.1174.6-77.4171.5-177.2-179.60112.6K229 S230 I231 R235K229-K233 VanDerWaalsContact O-CG 3.26Å; K229-K233 WeakPolarHBondContact O-CG 3.37Å; K229-K233 PolarHBondContact O-N 3.14Å; S230-K233 PolarHBondContact O-N 3.13Å; I231-K233 VanDerWaalsContact C-N 3.28Å; I231-K233 PolarHBondContact O-N 2.77Å; K233-R235 PolarHBondContact O-N 3.14Å
234K91.8Very high92.7Very high83 Ų8374.8 Ų74.836%0.36136%0.36SS..Hα-helixtrans-64.2-22.8179.8-62.6-174.8-175.4-179.40113D73 I231 Y232 K236 Q237 T238D73-K234 IonicContact OD2-NZ 3.1Å; D73-K234 PolarHBondContact OD2-NZ 3.33Å; I231-K234 WeakPolarHBondContact O-CB 3.37Å; I231-K234 PolarHBondContact O-N 2.71Å; Y232-K234 VanDerWaalsContact C-N 3.25Å; Y232-K234 PolarHBondContact O-N 3.12Å; K234-K236 PolarHBondContact O-N 2.79Å; K234-K236 VanDerWaalsContact O-N 3.14Å; K234-Q237 WeakPolarHBondContact O-CA 3.47Å; K234-Q237 WeakPolarHBondContact O-CB 3.4Å; K234-Q237 PolarHBondContact O-N 2.83Å; K234-T238 PolarHBondContact O-N 3.32Å; K234-T238 PolarHBondContact O-OG1 3.07Å
235R90.8Very high92.8Very high48 Ų4872.5 Ų72.518%0.18135%0.348CS..THydrogen-bonded Turntrans-53-38.5-178-164.3-169.381160.32113.7V111 D113 Y232 K233 Q237 T238 I239 E240V111-R235 HydrophobicContact CG1-CB 4.32Å; V111-R235 HydrophobicContact CG1-CG 4.29Å; D113-R235 VanDerWaalsContact CB-NH1 3.29Å; D113-R235 VanDerWaalsContact CG-NH1 3.26Å; D113-R235 IonicContact OD1-CZ 3.97Å; D113-R235 IonicContact OD1-NH1 3.53Å; D113-R235 PolarHBondContact OD1-NH1 3.05Å; D113-R235 IonicContact OD1-NH2 2.63Å; Y232-R235 VanDerWaalsContact O-CB 3.26Å; Y232-R235 WeakPolarHBondContact O-CB 3.23Å; Y232-R235 PolarHBondContact O-N 3.04Å; Y232-R235 PolarHBondContact OH-NH1 2.96Å; Y232-R235 VanDerWaalsContact OH-NH1 3.12Å; K233-R235 PolarHBondContact O-N 3.14Å; R235-Q237 PolarHBondContact O-N 3.43Å; R235-T238 PolarHBondContact O-N 3.32Å; R235-I239 HydrophobicContact CG-CG2 3.56Å; R235-I239 PolarHBondContact O-N 3.25Å; R235-E240 IonicContact CZ-OE1 2.59Å; R235-E240 VanDerWaalsContact CZ-OE1 3.22Å; R235-E240 IonicContact NE-OE1 3.61Å; R235-E240 PolarHBondContact NE-OE1 2.83Å; R235-E240 IonicContact NH2-OE1 3.75Å; R235-E240 PolarHBondContact NH2-OE1 2.89Å; R235-E240 PolarHBondContact O-N 2.78Å
236K87.9Confident92.8Very high153 Ų15370 Ų7067%0.66533%0.334SS*.THydrogen-bonded Turntrans-65.3-24.9177.6-61.9-176.1178.4-175.90112.9K234K234-K236 PolarHBondContact O-N 2.79Å; K234-K236 VanDerWaalsContact O-N 3.14Å
237Q89.9Confident92.7Very high139 Ų13968.7 Ų68.765%0.6532%0.322SS*.THydrogen-bonded Turntrans-96.4-22.9-176.8-54.6178.616.900112.3K234 R235 R241K234-Q237 WeakPolarHBondContact O-CA 3.47Å; K234-Q237 WeakPolarHBondContact O-CB 3.4Å; K234-Q237 PolarHBondContact O-N 2.83Å; R235-Q237 PolarHBondContact O-N 3.43Å; Q237-R241 WeakPolarHBondContact O-CB 3.34Å; Q237-R241 WeakPolarHBondContact O-CD 3.39Å
238T91.6Very high92.7Very high18 Ų1869.6 Ų69.611%0.1132%0.323CS..THydrogen-bonded Turntrans-99.3-94.5-179.158.30000111D73 K234 R235 E240 R241 I242D73-T238 WeakPolarHBondContact O-CG2 3.26Å; K234-T238 PolarHBondContact O-N 3.32Å; K234-T238 PolarHBondContact O-OG1 3.07Å; R235-T238 PolarHBondContact O-N 3.32Å; T238-E240 PolarHBondContact O-N 3.26Å; T238-R241 WeakPolarHBondContact O-CB 3.36Å; T238-R241 PolarHBondContact O-N 3.28Å; T238-R241 VanDerWaalsContact O-N 3.1Å; T238-I242 WeakPolarHBondContact O-CG1 3.32Å; T238-I242 PolarHBondContact O-N 3.27Å
239I92.1Very high92.7Very high30 Ų3075.6 Ų75.615%0.15435%0.349CS..Hα-helixtrans-64-39.6-167.5-166.961.4000113.4T69 C71 R235 R241 I242 F243T69-I239 HydrophobicContact CG2-CD1 4.41Å; C71-I239 HydrophobicContact CB-CD1 4.23Å; R235-I239 HydrophobicContact CG-CG2 3.56Å; R235-I239 PolarHBondContact O-N 3.25Å; I239-R241 VanDerWaalsContact C-N 3.27Å; I239-R241 PolarHBondContact O-N 3.22Å; I239-I242 HydrophobicContact CD1-CD1 4.3Å; I239-I242 PolarHBondContact O-N 3.39Å; I239-F243 HydrophobicContact CD1-CD2 4.2Å; I239-F243 HydrophobicContact CD1-CE2 3.75Å; I239-F243 HydrophobicContact CD1-CZ 4.34Å; I239-F243 HydrophobicContact CG1-CD2 3.92Å; I239-F243 HydrophobicContact CG1-CE2 3.6Å; I239-F243 VanDerWaalsContact O-CD2 3.3Å; I239-F243 WeakPolarHBondContact O-CD2 3.16Å; I239-F243 PolarHBondContact O-N 2.83Å
240E92.2Very high92.7Very high76 Ų7673.8 Ų73.836%0.35534%0.342SS..Hα-helixtrans-64-37.7177.9-69.2179-163.800110.8R235 T238 F243 A244R235-E240 IonicContact CZ-OE1 2.59Å; R235-E240 VanDerWaalsContact CZ-OE1 3.22Å; R235-E240 IonicContact NE-OE1 3.61Å; R235-E240 PolarHBondContact NE-OE1 2.83Å; R235-E240 IonicContact NH2-OE1 3.75Å; R235-E240 PolarHBondContact NH2-OE1 2.89Å; R235-E240 PolarHBondContact O-N 2.78Å; T238-E240 PolarHBondContact O-N 3.26Å; E240-F243 PolarHBondContact O-N 3.38Å; E240-A244 WeakPolarHBondContact O-CB 3.39Å; E240-A244 PolarHBondContact O-N 3.3Å
241R93.1Very high92.6Very high154 Ų15472.8 Ų72.858%0.58134%0.341SS*.Hα-helixtrans-69.2-40176-172.6175.5-176.6156.64.6112.1Q237 T238 I239 F243 A244 D245Q237-R241 WeakPolarHBondContact O-CB 3.34Å; Q237-R241 WeakPolarHBondContact O-CD 3.39Å; T238-R241 WeakPolarHBondContact O-CB 3.36Å; T238-R241 PolarHBondContact O-N 3.28Å; T238-R241 VanDerWaalsContact O-N 3.1Å; I239-R241 VanDerWaalsContact C-N 3.27Å; I239-R241 PolarHBondContact O-N 3.22Å; R241-F243 VanDerWaalsContact C-N 3.35Å; R241-A244 PolarHBondContact O-N 3.48Å; R241-D245 WeakPolarHBondContact O-CB 3.48Å; R241-D245 PolarHBondContact O-N 2.09Å
242I94Very high92.6Very high11 Ų1173.5 Ų73.56%0.05634%0.344CS..Hα-helixtrans-58-49.9174.5-67.3167.9000109.8C71 G75 I77 T238 I239 A244 D245 A246 M274C71-I242 HydrophobicContact CB-CD1 3.49Å; C71-I242 VanDerWaalsContact CB-CD1 3.49Å; G75-I242 VanDerWaalsContact O-CD1 3.25Å; G75-I242 WeakPolarHBondContact O-CD1 3.22Å; I77-I242 HydrophobicContact CD1-CG2 3.67Å; I77-I242 HydrophobicContact CG1-CD1 4.02Å; I77-I242 HydrophobicContact CG1-CG2 3.86Å; T238-I242 WeakPolarHBondContact O-CG1 3.32Å; T238-I242 PolarHBondContact O-N 3.27Å; I239-I242 HydrophobicContact CD1-CD1 4.3Å; I239-I242 PolarHBondContact O-N 3.39Å; I242-A244 VanDerWaalsContact C-N 3.33Å; I242-A244 PolarHBondContact O-N 3.11Å; I242-D245 PolarHBondContact O-N 2.76Å; I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.31Å; I242-A246 PolarHBondContact O-N 2.91Å; I242-M274 HydrophobicContact CG2-CE 4Å; I242-M274 WeakPolarHBondContact O-CE 3.31Å
243F93.8Very high92.4Very high62 Ų6277.8 Ų77.827%0.27236%0.36SS..Hα-helixtrans-65-36.8178.9-76.8-57.2000112.9I239 E240 R241 K247I239-F243 HydrophobicContact CD1-CD2 4.2Å; I239-F243 HydrophobicContact CD1-CE2 3.75Å; I239-F243 HydrophobicContact CD1-CZ 4.34Å; I239-F243 HydrophobicContact CG1-CD2 3.92Å; I239-F243 HydrophobicContact CG1-CE2 3.6Å; I239-F243 VanDerWaalsContact O-CD2 3.3Å; I239-F243 WeakPolarHBondContact O-CD2 3.16Å; I239-F243 PolarHBondContact O-N 2.83Å; E240-F243 PolarHBondContact O-N 3.38Å; R241-F243 VanDerWaalsContact C-N 3.35Å; F243-K247 WeakPolarHBondContact O-CB 3.48Å; F243-K247 VanDerWaalsContact O-CG 3.29Å; F243-K247 WeakPolarHBondContact O-CG 3.26Å; F243-K247 PolarHBondContact O-N 3.34Å; F243-K247 VanDerWaalsContact O-N 3.08Å
244A93.9Very high92.3Very high44 Ų4479.8 Ų79.836%0.36436%0.364SS..Hα-helixtrans-62.8-50.317400000111.3E240 R241 I242 A246 K247 E248E240-A244 WeakPolarHBondContact O-CB 3.39Å; E240-A244 PolarHBondContact O-N 3.3Å; R241-A244 PolarHBondContact O-N 3.48Å; I242-A244 VanDerWaalsContact C-N 3.33Å; I242-A244 PolarHBondContact O-N 3.11Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.09Å; A244-K247 PolarHBondContact O-N 3.08Å; A244-E248 WeakPolarHBondContact O-CG 3.36Å; A244-E248 PolarHBondContact O-N 3.14Å
245D94.3Very high92.3Very high42 Ų4279.4 Ų79.423%0.22537%0.368CS..Hα-helixtrans-62.2-41.7178.9-79.8-16.8000111.6R241 I242 K247 K249 H250 M274R241-D245 WeakPolarHBondContact O-CB 3.48Å; R241-D245 PolarHBondContact O-N 2.09Å; I242-D245 PolarHBondContact O-N 2.76Å; D245-K247 VanDerWaalsContact C-N 3.32Å; D245-K247 PolarHBondContact O-N 2.89Å; D245-K249 HydrophobicContact CB-CD 4.34Å; D245-K249 WeakPolarHBondContact O-CA 3.29Å; D245-K249 VanDerWaalsContact O-CB 3.29Å; D245-K249 WeakPolarHBondContact O-CB 3.43Å; D245-K249 PolarHBondContact O-N 2.62Å; D245-K249 VanDerWaalsContact OD1-CE 3.31Å; D245-K249 WeakPolarHBondContact OD1-CE 3.5Å; D245-K249 IonicContact OD1-NZ 3.15Å; D245-K249 PolarHBondContact OD1-NZ 2.77Å; D245-K249 IonicContact OD2-NZ 2.67Å; D245-H250 PolarHBondContact O-CD2 2.88Å; D245-H250 PolarHBondContact O-N 2.79Å; D245-M274 HydrophobicContact CB-CE 4.01Å
246A95Very high92.3Very high1 Ų184 Ų841%0.00839%0.389CS..Hα-helixtrans-57.7-44175.400000112.1I242 A244 H250 G251 M252 F271 M274I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.31Å; I242-A246 PolarHBondContact O-N 2.91Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.09Å; A246-H250 CarbonylContact O-C 3.47Å; A246-H250 WeakPolarHBondContact O-CB 3.08Å; A246-H250 PolarHBondContact O-N 3.25Å; A246-G251 PolarHBondContact O-N 2.69Å; A246-M252 HydrophobicContact CB-CB 4.45Å; A246-M252 HydrophobicContact CB-CG 4.45Å; A246-M252 HydrophobicContact CB-SD 3.78Å; A246-M252 WeakPolarHBondContact O-CB 3.47Å; A246-M252 PolarHBondContact O-N 2.88Å; A246-M252 VanDerWaalsContact O-N 3.1Å; A246-F271 HydrophobicContact CB-CE1 4.02Å; A246-M274 HydrophobicContact CB-CE 4.14Å; A246-M274 HydrophobicContact CB-SD 3.96Å
247K93.4Very high92.6Very high100 Ų10082.4 Ų82.444%0.43538%0.38SS..Hα-helixtrans-73.5-50.9-179.6-72.6174.2-176.2179.70112.6F243 A244 D245 R253F243-K247 WeakPolarHBondContact O-CB 3.48Å; F243-K247 VanDerWaalsContact O-CG 3.29Å; F243-K247 WeakPolarHBondContact O-CG 3.26Å; F243-K247 PolarHBondContact O-N 3.34Å; F243-K247 VanDerWaalsContact O-N 3.08Å; A244-K247 PolarHBondContact O-N 3.08Å; D245-K247 VanDerWaalsContact C-N 3.32Å; D245-K247 PolarHBondContact O-N 2.89Å; K247-R253 HydrophobicContact CB-CG 4.08Å; K247-R253 HydrophobicContact CG-CG 4.48Å
248E94.5Very high92.7Very high115 Ų11584 Ų8454%0.53738%0.38SS..Hα-helixtrans-78.5-40.4-173.6-56.6-36.7130.600113A244 R253A244-E248 WeakPolarHBondContact O-CG 3.36Å; A244-E248 PolarHBondContact O-N 3.14Å; E248-R253 IonicContact OE1-CZ 3.95Å; E248-R253 IonicContact OE1-NE 2.71Å; E248-R253 IonicContact OE1-NH1 3.68Å; E248-R253 IonicContact OE1-NH2 3.05Å; E248-R253 PolarHBondContact OE1-NH2 3.42Å; E248-R253 IonicContact OE2-CZ 3.29Å; E248-R253 IonicContact OE2-NE 2.93Å; E248-R253 PolarHBondContact OE2-NE 3.02Å; E248-R253 IonicContact OE2-NH2 3.73Å; E248-R253 PolarHBondContact OE2-NH2 3.18Å
249K93.7Very high92.8Very high130 Ų13083.7 Ų83.757%0.56538%0.381SS*.Hα-helixtrans-102-26.4-170.2-60.3172.7179.8158.30113.6D245D245-K249 HydrophobicContact CB-CD 4.34Å; D245-K249 WeakPolarHBondContact O-CA 3.29Å; D245-K249 VanDerWaalsContact O-CB 3.29Å; D245-K249 WeakPolarHBondContact O-CB 3.43Å; D245-K249 PolarHBondContact O-N 2.62Å; D245-K249 VanDerWaalsContact OD1-CE 3.31Å; D245-K249 WeakPolarHBondContact OD1-CE 3.5Å; D245-K249 IonicContact OD1-NZ 3.15Å; D245-K249 PolarHBondContact OD1-NZ 2.77Å; D245-K249 IonicContact OD2-NZ 2.67Å
250H93.3Very high92.9Very high50 Ų5084.8 Ų84.823%0.23139%0.387CS..SBendtrans-112.66.9-176.1-62.6-82.9000113.5D245 A246 M252 V270 M274D245-H250 PolarHBondContact O-CD2 2.88Å; D245-H250 PolarHBondContact O-N 2.79Å; A246-H250 CarbonylContact O-C 3.47Å; A246-H250 WeakPolarHBondContact O-CB 3.08Å; A246-H250 PolarHBondContact O-N 3.25Å; H250-M252 VanDerWaalsContact C-N 3.33Å; H250-M252 PolarHBondContact O-N 2.64Å; H250-V270 HydrophobicContact CB-CG1 3.61Å; H250-M274 WeakPolarHBondContact NE2-CG 3.3Å
251G91.2Very high93Very high38 Ų3888.6 Ų88.639%0.39241%0.405SS..  trans70.124170.700000114.6A246 R253A246-G251 PolarHBondContact O-N 2.69Å; G251-R253 PolarHBondContact O-N 3.32Å
252M92.3Very high93.2Very high42 Ų4287.7 Ų87.721%0.20741%0.405CS..THydrogen-bonded Turntrans-7814178.9-72.4-171.15700114.7A246 H250 W254 T267 V270 F271A246-M252 HydrophobicContact CB-CB 4.45Å; A246-M252 HydrophobicContact CB-CG 4.45Å; A246-M252 HydrophobicContact CB-SD 3.78Å; A246-M252 WeakPolarHBondContact O-CB 3.47Å; A246-M252 PolarHBondContact O-N 2.88Å; A246-M252 VanDerWaalsContact O-N 3.1Å; H250-M252 VanDerWaalsContact C-N 3.33Å; H250-M252 PolarHBondContact O-N 2.64Å; M252-W254 VanDerWaalsContact C-N 3.29Å; M252-T267 HydrophobicContact CE-CG2 3.53Å; M252-T267 HydrophobicContact SD-CG2 4.35Å; M252-V270 HydrophobicContact CG-CG1 4.2Å; M252-V270 HydrophobicContact SD-CB 4.31Å; M252-V270 HydrophobicContact SD-CG1 3.77Å; M252-F271 HydrophobicContact CE-CE1 3.92Å; M252-F271 HydrophobicContact CE-CZ 3.96Å; M252-F271 HydrophobicContact SD-CD1 4.17Å; M252-F271 HydrophobicContact SD-CE1 3.53Å; M252-F271 VanDerWaalsContact SD-CE1 3.53Å; M252-F271 HydrophobicContact SD-CZ 4.19Å
253R90Very high93.2Very high146 Ų14687.3 Ų87.355%0.55140%0.403SS*.THydrogen-bonded Turntrans-68.6-31.5172.2-69.8-173.5178.3-81.513112.3K247 E248 G251K247-R253 HydrophobicContact CB-CG 4.08Å; K247-R253 HydrophobicContact CG-CG 4.48Å; E248-R253 IonicContact OE1-CZ 3.95Å; E248-R253 IonicContact OE1-NE 2.71Å; E248-R253 IonicContact OE1-NH1 3.68Å; E248-R253 IonicContact OE1-NH2 3.05Å; E248-R253 PolarHBondContact OE1-NH2 3.42Å; E248-R253 IonicContact OE2-CZ 3.29Å; E248-R253 IonicContact OE2-NE 2.93Å; E248-R253 PolarHBondContact OE2-NE 3.02Å; E248-R253 IonicContact OE2-NH2 3.73Å; E248-R253 PolarHBondContact OE2-NH2 3.18Å; G251-R253 PolarHBondContact O-N 3.32Å
254W90.3Very high93.3Very high194 Ų19485.5 Ų85.574%0.73540%0.399SS*.SBendtrans-130146.2179.5-59.7106.9000109.8M252M252-W254 VanDerWaalsContact C-N 3.29Å
255T91.3Very high93.4Very high75 Ų7587 Ų8746%0.4640%0.404SS..  trans-78.1133.1172.453.30000109.7Y65 V263Y65-T255 HydrophobicContact CD2-CG2 4.02Å; T255-V263 HydrophobicContact CG2-CG1 3.87Å; T255-V263 HydrophobicContact CG2-CG2 4.05Å
256K90.4Very high93.5Very high143 Ų14386.4 Ų86.462%0.62240%0.4SS*.SBendtrans-81-24.3175.4-63.6-176.7-177.6174.30112.6
257Y93.2Very high93.6Very high121 Ų12186.8 Ų86.848%0.47540%0.402SS..SBendtrans-119.7165-176.4-55.7-73.5000110.5K262 V263 H266Y257-K262 HydrophobicContact CG-CB 4.42Å; Y257-V263 WeakPolarHBondContact O-CG2 3.16Å; Y257-H266 HydrophobicContact CD2-CB 3.75Å; Y257-H266 AromaticContact CD2-CG 3.93Å; Y257-H266 HydrophobicContact CE2-CB 3.88Å; Y257-H266 AromaticContact CE2-CD2 3.74Å; Y257-H266 AromaticContact CE2-CG 3.82Å
258R92.8Very high93.6Very high171 Ų17187.3 Ų87.365%0.64541%0.408SS*.  trans-112.9149174.9-60.8-178.6-173.2175.14.3110D48D48-R258 HydrophobicContact CB-CB 4.39Å; D48-R258 HydrophobicContact CB-CG 4.46Å; D48-R258 VanDerWaalsContact OD2-CA 3.24Å; D48-R258 WeakPolarHBondContact OD2-CA 3.39Å; D48-R258 WeakPolarHBondContact OD2-CB 3.28Å
259G93.8Very high93.7Very high13 Ų1387.3 Ų87.313%0.13441%0.411CS..SBendtrans87.8144.5-176.500000113.1D48 E50 Y65 E261 K262 V263D48-G259 PolarHBondContact OD1-N 3.49Å; D48-G259 PolarHBondContact OD2-N 2.89Å; E50-G259 WeakPolarHBondContact OE2-CA 3.26Å; Y65-G259 WeakPolarHBondContact OH-CA 3.32Å; Y65-G259 PolarHBondContact OH-N 3.26Å; G259-E261 PolarHBondContact O-N 3.17Å; G259-K262 PolarHBondContact O-N 2.62Å; G259-V263 WeakPolarHBondContact O-CB 3.47Å; G259-V263 VanDerWaalsContact O-CG2 3.28Å; G259-V263 WeakPolarHBondContact O-CG2 3.39Å; G259-V263 PolarHBondContact O-N 3.04Å
260L93.4Very high93.8Very high52 Ų5281.9 Ų81.927%0.27239%0.389SS..Hα-helixtrans-61.8-45.9-170.1-179.165000111.8E50 Y65 I82 V263 A264E50-L260 HydrophobicContact CB-CB 4.41Å; E50-L260 PolarHBondContact OE2-N 3.4Å; Y65-L260 HydrophobicContact CD1-CD1 3.77Å; Y65-L260 HydrophobicContact CE1-CB 4.16Å; Y65-L260 HydrophobicContact CE1-CD1 3.79Å; I82-L260 HydrophobicContact CB-CD1 4.5Å; I82-L260 HydrophobicContact CG2-CD1 4Å; L260-V263 PolarHBondContact O-N 3.01Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 2.67Å
261E95.5Very high94Very high156 Ų15679.7 Ų79.773%0.72938%0.378SS*.Hα-helixtrans-61.2-51.1-178.7-173.7-178.1-176.200111.2G259 V263 A264 T265G259-E261 PolarHBondContact O-N 3.17Å; E261-V263 VanDerWaalsContact C-N 3.35Å; E261-V263 PolarHBondContact O-N 2.65Å; E261-A264 WeakPolarHBondContact O-CB 3.29Å; E261-A264 PolarHBondContact O-N 3.18Å; E261-A264 VanDerWaalsContact O-N 3.16Å; E261-T265 PolarHBondContact O-N 3.49Å; E261-T265 PolarHBondContact O-OG1 3.39Å
262K96.2Very high94.3Very high135 Ų13580.2 Ų80.259%0.58738%0.379SS*.Hα-helixtrans-63.3-41-179.4-65.1-177.4-178.6174.30112.1Y257 G259 H266Y257-K262 HydrophobicContact CG-CB 4.42Å; G259-K262 PolarHBondContact O-N 2.62Å; K262-H266 WeakPolarHBondContact O-CB 3.13Å; K262-H266 PolarHBondContact O-N 3.44Å
263V95.4Very high94.5Very high4 Ų480.5 Ų80.52%0.02439%0.388CS..Hα-helixtrans-64.7-43.4175.4173.80000110.3Y65 I82 T255 Y257 G259 L260 E261 H266 T267Y65-V263 HydrophobicContact CD2-CB 4.42Å; Y65-V263 HydrophobicContact CD2-CG1 4.01Å; Y65-V263 HydrophobicContact CD2-CG2 4.09Å; Y65-V263 HydrophobicContact CE2-CB 4.46Å; Y65-V263 HydrophobicContact CE2-CG2 3.84Å; Y65-V263 HydrophobicContact CG-CG1 4.07Å; I82-V263 HydrophobicContact CG2-CG1 4.22Å; T255-V263 HydrophobicContact CG2-CG1 3.87Å; T255-V263 HydrophobicContact CG2-CG2 4.05Å; Y257-V263 WeakPolarHBondContact O-CG2 3.16Å; G259-V263 WeakPolarHBondContact O-CB 3.47Å; G259-V263 VanDerWaalsContact O-CG2 3.28Å; G259-V263 WeakPolarHBondContact O-CG2 3.39Å; G259-V263 PolarHBondContact O-N 3.04Å; L260-V263 PolarHBondContact O-N 3.01Å; E261-V263 VanDerWaalsContact C-N 3.35Å; E261-V263 PolarHBondContact O-N 2.65Å; V263-H266 PolarHBondContact O-N 3.04Å; V263-T267 WeakPolarHBondContact O-CB 3.34Å; V263-T267 PolarHBondContact O-N 3.27Å; V263-T267 PolarHBondContact O-OG1 3.46Å; V263-T267 VanDerWaalsContact O-OG1 3.13Å
264A95.6Very high94.8Very high23 Ų2374.6 Ų74.619%0.1937%0.367CS..Hα-helixtrans-59.7-50.7176.800000112.1I82 L260 E261 H266 T267 M268I82-A264 HydrophobicContact CB-CB 4.01Å; I82-A264 HydrophobicContact CG1-CB 4.01Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 2.67Å; E261-A264 WeakPolarHBondContact O-CB 3.29Å; E261-A264 PolarHBondContact O-N 3.18Å; E261-A264 VanDerWaalsContact O-N 3.16Å; A264-H266 PolarHBondContact O-N 3.46Å; A264-T267 PolarHBondContact O-N 3.48Å; A264-M268 WeakPolarHBondContact O-CB 3.3Å; A264-M268 VanDerWaalsContact O-CG 3.28Å; A264-M268 WeakPolarHBondContact O-CG 3.41Å; A264-M268 PolarHBondContact O-N 3.1Å
265T96.5Very high95Very high76 Ų7667.2 Ų67.247%0.46634%0.342SS..Hα-helixtrans-57.9-47.4177.1-54.10000111.4E261 T267 M268 L269E261-T265 PolarHBondContact O-N 3.49Å; E261-T265 PolarHBondContact O-OG1 3.39Å; T265-T267 PolarHBondContact O-N 3.3Å; T265-M268 PolarHBondContact O-N 3Å; T265-L269 HydrophobicContact CG2-CD1 4.24Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.19Å
266H96.1Very high95.3Very high30 Ų3069.3 Ų69.314%0.13935%0.349CS..Hα-helixtrans-61.3-45.5178.4174-109.1000112.1Y257 K262 V263 A264 M268 L269 V270Y257-H266 HydrophobicContact CD2-CB 3.75Å; Y257-H266 AromaticContact CD2-CG 3.93Å; Y257-H266 HydrophobicContact CE2-CB 3.88Å; Y257-H266 AromaticContact CE2-CD2 3.74Å; Y257-H266 AromaticContact CE2-CG 3.82Å; K262-H266 WeakPolarHBondContact O-CB 3.13Å; K262-H266 PolarHBondContact O-N 3.44Å; V263-H266 PolarHBondContact O-N 3.04Å; A264-H266 PolarHBondContact O-N 3.46Å; H266-M268 PolarHBondContact O-N 2.92Å; H266-L269 PolarHBondContact O-N 3.44Å; H266-V270 WeakPolarHBondContact O-CG2 3.46Å; H266-V270 PolarHBondContact O-N 3.24Å
267T95.8Very high95.5Very high9 Ų968.3 Ų68.36%0.05535%0.345CS..Hα-helixtrans-63.3-42177.8-640000112I82 M252 V263 A264 T265 L269 V270 F271I82-T267 HydrophobicContact CD1-CG2 3.7Å; I82-T267 HydrophobicContact CG1-CG2 4.39Å; M252-T267 HydrophobicContact CE-CG2 3.53Å; M252-T267 HydrophobicContact SD-CG2 4.35Å; V263-T267 WeakPolarHBondContact O-CB 3.34Å; V263-T267 PolarHBondContact O-N 3.27Å; V263-T267 PolarHBondContact O-OG1 3.46Å; V263-T267 VanDerWaalsContact O-OG1 3.13Å; A264-T267 PolarHBondContact O-N 3.48Å; T265-T267 PolarHBondContact O-N 3.3Å; T267-L269 VanDerWaalsContact C-N 3.35Å; T267-L269 PolarHBondContact O-N 2.87Å; T267-V270 PolarHBondContact O-N 3.03Å; T267-F271 HydrophobicContact CG2-CD2 4.07Å; T267-F271 HydrophobicContact CG2-CE1 4.36Å; T267-F271 HydrophobicContact CG2-CE2 3.77Å; T267-F271 HydrophobicContact CG2-CG 4.48Å; T267-F271 HydrophobicContact CG2-CZ 3.93Å; T267-F271 WeakPolarHBondContact O-CG 3.1Å; T267-F271 PolarHBondContact O-N 3.49Å
268M95.2Very high95.5Very high111 Ų11165.2 Ų65.255%0.54733%0.334SS..Hα-helixtrans-60.9-42.9176-72.1175.770.500111.8T80 A264 T265 H266 F271 A272T80-M268 HydrophobicContact CG2-CG 3.76Å; A264-M268 WeakPolarHBondContact O-CB 3.3Å; A264-M268 VanDerWaalsContact O-CG 3.28Å; A264-M268 WeakPolarHBondContact O-CG 3.41Å; A264-M268 PolarHBondContact O-N 3.1Å; T265-M268 PolarHBondContact O-N 3Å; H266-M268 PolarHBondContact O-N 2.92Å; M268-F271 PolarHBondContact O-N 3.04Å; M268-A272 WeakPolarHBondContact O-CB 3.33Å; M268-A272 PolarHBondContact O-N 2.64Å
269L96.2Very high95.5Very high114 Ų11461 Ų6160%0.59732%0.324SS*.Hα-helixtrans-62.9-42.7176-72.2171.7000112.3T265 H266 T267 A272 A273T265-L269 HydrophobicContact CG2-CD1 4.24Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.19Å; H266-L269 PolarHBondContact O-N 3.44Å; T267-L269 VanDerWaalsContact C-N 3.35Å; T267-L269 PolarHBondContact O-N 2.87Å; L269-A272 PolarHBondContact O-N 2.99Å; L269-A273 WeakPolarHBondContact O-CB 3.48Å; L269-A273 PolarHBondContact O-N 2.78Å
270V96.3Very high95.5Very high17 Ų1763.1 Ų63.110%0.10334%0.341CS..Hα-helixtrans-60.7-46.4175.8170.40000110.8H250 M252 H266 T267 A273 M274H250-V270 HydrophobicContact CB-CG1 3.61Å; M252-V270 HydrophobicContact CG-CG1 4.2Å; M252-V270 HydrophobicContact SD-CB 4.31Å; M252-V270 HydrophobicContact SD-CG1 3.77Å; H266-V270 WeakPolarHBondContact O-CG2 3.46Å; H266-V270 PolarHBondContact O-N 3.24Å; T267-V270 PolarHBondContact O-N 3.03Å; V270-A273 PolarHBondContact O-N 2.88Å; V270-M274 HydrophobicContact CG1-SD 4.09Å; V270-M274 VanDerWaalsContact O-CG 3.32Å; V270-M274 WeakPolarHBondContact O-CG 3.32Å; V270-M274 PolarHBondContact O-N 3.47Å
271F96.7Very high95.4Very high4 Ų463.8 Ų63.82%0.01835%0.347CS..Hα-helixtrans-66.6-37.6178.9-73.2-5.4000112.9T69 I77 T80 A246 M252 T267 M268 M274 N275T69-F271 HydrophobicContact CG2-CD2 4.23Å; T69-F271 HydrophobicContact CG2-CE2 3.8Å; T69-F271 HydrophobicContact CG2-CZ 4.48Å; T69-F271 VanDerWaalsContact OG1-CE2 3.27Å; T69-F271 WeakPolarHBondContact OG1-CE2 3.43Å; I77-F271 HydrophobicContact CD1-CB 3.58Å; I77-F271 HydrophobicContact CD1-CD1 3.69Å; I77-F271 HydrophobicContact CD1-CD2 4.05Å; I77-F271 HydrophobicContact CD1-CE1 4.34Å; I77-F271 HydrophobicContact CD1-CG 3.52Å; I77-F271 HydrophobicContact CG2-CB 4.3Å; I77-F271 HydrophobicContact CG2-CD2 4.05Å; I77-F271 HydrophobicContact CG2-CG 4.42Å; T80-F271 HydrophobicContact CG2-CD2 3.89Å; T80-F271 HydrophobicContact CG2-CE2 4.31Å; T80-F271 WeakPolarHBondContact OG1-CE2 3.43Å; A246-F271 HydrophobicContact CB-CE1 4.02Å; M252-F271 HydrophobicContact CE-CE1 3.92Å; M252-F271 HydrophobicContact CE-CZ 3.96Å; M252-F271 HydrophobicContact SD-CD1 4.17Å; M252-F271 HydrophobicContact SD-CE1 3.53Å; M252-F271 VanDerWaalsContact SD-CE1 3.53Å; M252-F271 HydrophobicContact SD-CZ 4.19Å; T267-F271 HydrophobicContact CG2-CD2 4.07Å; T267-F271 HydrophobicContact CG2-CE1 4.36Å; T267-F271 HydrophobicContact CG2-CE2 3.77Å; T267-F271 HydrophobicContact CG2-CG 4.48Å; T267-F271 HydrophobicContact CG2-CZ 3.93Å; T267-F271 WeakPolarHBondContact O-CG 3.1Å; T267-F271 PolarHBondContact O-N 3.49Å; M268-F271 PolarHBondContact O-N 3.04Å; F271-M274 HydrophobicContact CD1-SD 3.88Å; F271-M274 HydrophobicContact CE1-SD 4.32Å; F271-M274 PolarHBondContact O-N 2.88Å; F271-N275 PolarHBondContact O-N 3.32Å
272A96.6Very high95.2Very high49 Ų4962 Ų6241%0.40533%0.333SS..Hα-helixtrans-60.4-46.6171.700000111.2M268 L269 M274 N275 L276M268-A272 WeakPolarHBondContact O-CB 3.33Å; M268-A272 PolarHBondContact O-N 2.64Å; L269-A272 PolarHBondContact O-N 2.99Å; A272-M274 VanDerWaalsContact C-N 3.32Å; A272-M274 PolarHBondContact O-N 2.88Å; A272-N275 PolarHBondContact O-N 2.78Å; A272-L276 WeakPolarHBondContact O-CG 3.06Å; A272-L276 PolarHBondContact O-N 2.81Å
273A96.7Very high94.8Very high48 Ų4860.5 Ų60.540%0.39733%0.331SS..Hα-helixtrans-61.7-38.7176.300000112.4L269 V270 L276 K277L269-A273 WeakPolarHBondContact O-CB 3.48Å; L269-A273 PolarHBondContact O-N 2.78Å; V270-A273 PolarHBondContact O-N 2.88Å; A273-L276 PolarHBondContact O-N 3.4Å; A273-K277 WeakPolarHBondContact O-CB 3.33Å; A273-K277 PolarHBondContact O-N 3.36Å
274M96.4Very high94.5Very high22 Ų2266.9 Ų66.911%0.10836%0.355CS..Hα-helixtrans-62.5-45.1174.5-73174.767.400112.1I242 D245 A246 H250 V270 F271 A272 K277 K278I242-M274 HydrophobicContact CG2-CE 4Å; I242-M274 WeakPolarHBondContact O-CE 3.31Å; D245-M274 HydrophobicContact CB-CE 4.01Å; A246-M274 HydrophobicContact CB-CE 4.14Å; A246-M274 HydrophobicContact CB-SD 3.96Å; H250-M274 WeakPolarHBondContact NE2-CG 3.3Å; V270-M274 HydrophobicContact CG1-SD 4.09Å; V270-M274 VanDerWaalsContact O-CG 3.32Å; V270-M274 WeakPolarHBondContact O-CG 3.32Å; V270-M274 PolarHBondContact O-N 3.47Å; F271-M274 HydrophobicContact CD1-SD 3.88Å; F271-M274 HydrophobicContact CE1-SD 4.32Å; F271-M274 PolarHBondContact O-N 2.88Å; A272-M274 VanDerWaalsContact C-N 3.32Å; A272-M274 PolarHBondContact O-N 2.88Å; M274-K277 PolarHBondContact O-N 3.13Å; M274-K278 WeakPolarHBondContact O-CB 3.49Å; M274-K278 PolarHBondContact O-N 2.83Å
275N95.6Very high93.8Very high39 Ų3973.4 Ų73.421%0.20938%0.379CS..Hα-helixtrans-61.1-46.1175-82.6-5.7000111.7F76 I77 F271 A272 K277 K278 L279F76-N275 HydrophobicContact CD1-CB 4.43Å; I77-N275 PolarHBondContact N-OD1 3.07Å; I77-N275 PolarHBondContact O-ND2 2.81Å; F271-N275 PolarHBondContact O-N 3.32Å; A272-N275 PolarHBondContact O-N 2.78Å; N275-K277 PolarHBondContact O-N 3.42Å; N275-K278 WeakPolarHBondContact O-CB 3.37Å; N275-K278 PolarHBondContact O-N 2.89Å; N275-L279 WeakPolarHBondContact O-CB 3.44Å; N275-L279 PolarHBondContact O-N 2.63Å
276L96Very high92.6Very high118 Ų11873.1 Ų73.162%0.61839%0.392SS*.Hα-helixtrans-61.3-44.4177.7-70.4174.3000112A272 A273 K278 L279 A280A272-L276 WeakPolarHBondContact O-CG 3.06Å; A272-L276 PolarHBondContact O-N 2.81Å; A273-L276 PolarHBondContact O-N 3.4Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 2.97Å; L276-L279 PolarHBondContact O-N 2.79Å; L276-A280 WeakPolarHBondContact O-CB 3.48Å; L276-A280 PolarHBondContact O-N 3.21Å
277K95Very high90.9Very high123 Ų12378.2 Ų78.254%0.53541%0.413SS..Hα-helixtrans-59.2-41.7175.3-179.9176.6179.6174.60111.7A273 M274 N275 T281A273-K277 WeakPolarHBondContact O-CB 3.33Å; A273-K277 PolarHBondContact O-N 3.36Å; M274-K277 PolarHBondContact O-N 3.13Å; N275-K277 PolarHBondContact O-N 3.42Å; K277-T281 PolarHBondContact O-N 3.28Å; K277-T281 VanDerWaalsContact O-N 3.08Å; K277-T281 PolarHBondContact O-OG1 3.26Å
278K93Very high88.8Confident56 Ų5683.9 Ų83.924%0.24344%0.439CS..Hα-helixtrans-66.4-45.4177.7-172.7173.2-173.1146.90111.8N74 G75 F76 M274 N275 L276 A280 T281 W282N74-K278 WeakPolarHBondContact O-CE 3.45Å; N74-K278 PolarHBondContact O-NZ 2.81Å; G75-K278 PolarHBondContact O-NZ 3.2Å; F76-K278 HydrophobicContact CD1-CD 4.05Å; F76-K278 HydrophobicContact CD1-CG 4.49Å; F76-K278 HydrophobicContact CD2-CD 4.49Å; F76-K278 HydrophobicContact CE1-CB 4Å; F76-K278 HydrophobicContact CE1-CD 3.92Å; F76-K278 HydrophobicContact CE1-CG 3.87Å; F76-K278 HydrophobicContact CE2-CD 4.36Å; F76-K278 HydrophobicContact CG-CD 4.33Å; F76-K278 HydrophobicContact CZ-CB 4.47Å; F76-K278 HydrophobicContact CZ-CD 4.08Å; F76-K278 HydrophobicContact CZ-CG 3.91Å; M274-K278 WeakPolarHBondContact O-CB 3.49Å; M274-K278 PolarHBondContact O-N 2.83Å; N275-K278 WeakPolarHBondContact O-CB 3.37Å; N275-K278 PolarHBondContact O-N 2.89Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 2.97Å; K278-A280 PolarHBondContact O-N 2.77Å; K278-T281 WeakPolarHBondContact O-CB 3.38Å; K278-T281 PolarHBondContact O-N 2.78Å; K278-W282 PolarHBondContact O-N 3.34Å
279L93.5Very high86.7Confident81 Ų8181.8 Ų81.842%0.42443%0.434SS..Hα-helixtrans-59.1-46.3175.9-176.963.7000111.5F76 N275 L276 T281 W282 L283F76-L279 HydrophobicContact CE1-CB 4.26Å; N275-L279 WeakPolarHBondContact O-CB 3.44Å; N275-L279 PolarHBondContact O-N 2.63Å; L276-L279 PolarHBondContact O-N 2.79Å; L279-T281 VanDerWaalsContact C-N 3.3Å; L279-T281 PolarHBondContact O-N 3Å; L279-W282 WeakPolarHBondContact O-CB 3.13Å; L279-W282 PolarHBondContact O-N 3.27Å; L279-W282 VanDerWaalsContact O-N 3.16Å; L279-L283 HydrophobicContact CG-CD1 4.18Å; L279-L283 WeakPolarHBondContact O-CG 3.34Å; L279-L283 PolarHBondContact O-N 3.4Å
280A94.1Very high84.4Confident59 Ų5982.6 Ų82.649%0.48844%0.438SS..Hα-helixtrans-59-41.7175.800000112L276 K278 W282 L283 W284L276-A280 WeakPolarHBondContact O-CB 3.48Å; L276-A280 PolarHBondContact O-N 3.21Å; K278-A280 PolarHBondContact O-N 2.77Å; A280-W282 VanDerWaalsContact C-N 3.34Å; A280-W282 PolarHBondContact O-N 3.02Å; A280-L283 PolarHBondContact O-N 2.93Å; A280-W284 WeakPolarHBondContact O-CB 3.38Å; A280-W284 PolarHBondContact O-N 3.03Å
281T91.5Very high82.1Confident65 Ų6589.7 Ų89.740%0.39947%0.468SS..Hα-helixtrans-64.5-38.6176.8-54.30000112K277 K278 L279 K285K277-T281 PolarHBondContact O-N 3.28Å; K277-T281 VanDerWaalsContact O-N 3.08Å; K277-T281 PolarHBondContact O-OG1 3.26Å; K278-T281 WeakPolarHBondContact O-CB 3.38Å; K278-T281 PolarHBondContact O-N 2.78Å; L279-T281 VanDerWaalsContact C-N 3.3Å; L279-T281 PolarHBondContact O-N 3Å; T281-K285 WeakPolarHBondContact O-CG 3.47Å; T281-K285 PolarHBondContact O-N 3.23Å; T281-K285 VanDerWaalsContact O-N 3.13Å
282W89.9Confident79.7Confident118 Ų11893.7 Ų93.745%0.44749%0.485SS..Hα-helixtrans-67-47.7177.1-82.630.8000112N74 F76 K278 L279 A280 W284 K285 G286N74-W282 HydrophobicContact CB-CH2 3.5Å; N74-W282 VanDerWaalsContact CB-CH2 3.5Å; N74-W282 HydrophobicContact CB-CZ2 3.68Å; F76-W282 HydrophobicContact CE2-CD2 4.08Å; F76-W282 AromaticContact CE2-CE3 3.91Å; F76-W282 HydrophobicContact CE2-CE3 3.91Å; F76-W282 AromaticContact CE2-CH2 3.9Å; F76-W282 HydrophobicContact CE2-CH2 3.9Å; F76-W282 HydrophobicContact CE2-CZ2 4.01Å; F76-W282 AromaticContact CE2-CZ3 3.81Å; F76-W282 HydrophobicContact CE2-CZ3 3.81Å; F76-W282 HydrophobicContact CZ-CD2 4.04Å; F76-W282 HydrophobicContact CZ-CE3 4.08Å; F76-W282 HydrophobicContact CZ-CZ3 4.44Å; K278-W282 PolarHBondContact O-N 3.34Å; L279-W282 WeakPolarHBondContact O-CB 3.13Å; L279-W282 PolarHBondContact O-N 3.27Å; L279-W282 VanDerWaalsContact O-N 3.16Å; A280-W282 VanDerWaalsContact C-N 3.34Å; A280-W282 PolarHBondContact O-N 3.02Å; W282-W284 VanDerWaalsContact C-N 3.27Å; W282-W284 PolarHBondContact O-N 3.4Å; W282-K285 PolarHBondContact O-N 3.17Å; W282-K285 VanDerWaalsContact O-N 3.15Å; W282-G286 PolarHBondContact O-N 3.21Å
283L89.8Confident77.5Confident105 Ų10594.9 Ų94.955%0.5549%0.49SS..Hα-helixtrans-60.5-38.2176.4-69.9172000111.9L279 A280 K287L279-L283 HydrophobicContact CG-CD1 4.18Å; L279-L283 WeakPolarHBondContact O-CG 3.34Å; L279-L283 PolarHBondContact O-N 3.4Å; A280-L283 PolarHBondContact O-N 2.93Å; L283-K287 PolarHBondContact O-N 3.48Å
284W88.4Confident75.3Confident138 Ų13895 Ų9552%0.52349%0.488SS..Hα-helixtrans-66-36.3175.8-174.3-90.3000113A280 W282 F292A280-W284 WeakPolarHBondContact O-CB 3.38Å; A280-W284 PolarHBondContact O-N 3.03Å; W282-W284 VanDerWaalsContact C-N 3.27Å; W282-W284 PolarHBondContact O-N 3.4Å; W284-F292 AromaticContact CH2-CD1 3.67Å; W284-F292 HydrophobicContact CH2-CD1 3.67Å; W284-F292 HydrophobicContact CH2-CE1 4.13Å; W284-F292 AromaticContact CZ3-CD1 3.51Å; W284-F292 HydrophobicContact CZ3-CD1 3.51Å; W284-F292 AromaticContact CZ3-CE1 3.7Å; W284-F292 HydrophobicContact CZ3-CE1 3.7Å; W284-F292 HydrophobicContact CZ3-CG 4.49Å
285K81.7Confident73.4Confident159 Ų159100.7 Ų100.769%0.69151%0.512SS*.Hα-helixtrans-78.9-33.4177.9-73-178.9178.4-170.30113.3T281 W282 K287T281-K285 WeakPolarHBondContact O-CG 3.47Å; T281-K285 PolarHBondContact O-N 3.23Å; T281-K285 VanDerWaalsContact O-N 3.13Å; W282-K285 PolarHBondContact O-N 3.17Å; W282-K285 VanDerWaalsContact O-N 3.15Å; K285-K287 VanDerWaalsContact C-N 3.32Å
286G71.3Confident71.7Confident71 Ų71102.4 Ų102.473%0.73252%0.52SS*.Hα-helixtrans-73.2-25.3179.400000113.2W282W282-G286 PolarHBondContact O-N 3.21Å
287K59.4Low69.9Low136 Ų136105.4 Ų105.459%0.59152%0.523SS*.SBendtrans-85.3107.1163.9-67-179.3179.6-178.20106.8L283 K285 P289L283-K287 PolarHBondContact O-N 3.48Å; K285-K287 VanDerWaalsContact C-N 3.32Å; K287-P289 VanDerWaalsContact O-CD 3.29Å; K287-P289 WeakPolarHBondContact O-CD 3.27Å
288E51.8Low68.2Low129 Ų129104.3 Ų104.360%0.60352%0.523SS*.  trans-29109.5161.6-88.7-94.5158.100109.6L290 F291E288-L290 PolarHBondContact O-N 3.1Å; E288-F291 PolarHBondContact O-N 3.43Å
289P51.3Low67Low66 Ų66107.4 Ų107.443%0.42954%0.539SS..Hα-helixtrans-59.4-17-170.90.8-6.7000112.8K287 F291 C293K287-P289 VanDerWaalsContact O-CD 3.29Å; K287-P289 WeakPolarHBondContact O-CD 3.27Å; P289-F291 PolarHBondContact O-N 3.1Å; P289-C293 WeakPolarHBondContact O-CB 3.28Å; P289-C293 PolarHBondContact O-N 3.37Å
290L47.8Very low65.8Low131 Ų131107.1 Ų107.169%0.68654%0.54SS*.Hα-helixtrans-65.7-32.4176.8-68.3168.3000113.5E288 S294E288-L290 PolarHBondContact O-N 3.1Å; L290-S294 WeakPolarHBondContact O-CB 3.5Å; L290-S294 PolarHBondContact O-N 3.09Å; L290-S294 VanDerWaalsContact O-N 3.12Å; L290-S294 PolarHBondContact O-OG 3.26Å; L290-S294 VanDerWaalsContact O-OG 3.12Å
291F46.7Very low64.6Low166 Ų166108.1 Ų108.173%0.72854%0.538SS*.Hα-helixtrans-79.7-31.3-176.1-122.6-83.1000113.5E288 P289 S294 K295E288-F291 PolarHBondContact O-N 3.43Å; P289-F291 PolarHBondContact O-N 3.1Å; F291-S294 PolarHBondContact O-OG 3.45Å; F291-S294 VanDerWaalsContact O-OG 3.05Å; F291-K295 PolarHBondContact O-N 3.33Å
292F47.4Very low63.6Low89 Ų89112.3 Ų112.339%0.3955%0.55SS.*Hα-helixtrans-83.4-38.2178.1-164.1-108.4000111.4W284 K295 I296W284-F292 AromaticContact CH2-CD1 3.67Å; W284-F292 HydrophobicContact CH2-CD1 3.67Å; W284-F292 HydrophobicContact CH2-CE1 4.13Å; W284-F292 AromaticContact CZ3-CD1 3.51Å; W284-F292 HydrophobicContact CZ3-CD1 3.51Å; W284-F292 AromaticContact CZ3-CE1 3.7Å; W284-F292 HydrophobicContact CZ3-CE1 3.7Å; W284-F292 HydrophobicContact CZ3-CG 4.49Å; F292-K295 PolarHBondContact O-N 2.95Å; F292-I296 HydrophobicContact CD1-CD1 3.56Å; F292-I296 HydrophobicContact CD1-CG1 4.29Å; F292-I296 HydrophobicContact CE1-CD1 3.13Å; F292-I296 HydrophobicContact CE1-CG1 4.08Å; F292-I296 HydrophobicContact CG-CD1 4.43Å; F292-I296 HydrophobicContact CZ-CD1 3.67Å; F292-I296 HydrophobicContact CZ-CG1 4.29Å; F292-I296 WeakPolarHBondContact O-CG1 3.48Å; F292-I296 PolarHBondContact O-N 3.01Å
293C50.4Low62.8Low74 Ų74114 Ų11450%0.556%0.561SS.*Hα-helixtrans-63.5-38.7172-79.90000112.3P289 R297P289-C293 WeakPolarHBondContact O-CB 3.28Å; P289-C293 PolarHBondContact O-N 3.37Å; C293-R297 WeakPolarHBondContact O-CB 3.46Å; C293-R297 PolarHBondContact O-N 2.92Å
294S51.4Low61.7Low51 Ų51113.5 Ų113.536%0.35756%0.558SS.*Hα-helixtrans-67.1-38176.265.50000112.3L290 F291 N298L290-S294 WeakPolarHBondContact O-CB 3.5Å; L290-S294 PolarHBondContact O-N 3.09Å; L290-S294 VanDerWaalsContact O-N 3.12Å; L290-S294 PolarHBondContact O-OG 3.26Å; L290-S294 VanDerWaalsContact O-OG 3.12Å; F291-S294 PolarHBondContact O-OG 3.45Å; F291-S294 VanDerWaalsContact O-OG 3.05Å; S294-N298 VanDerWaalsContact O-CB 3.25Å; S294-N298 WeakPolarHBondContact O-CB 3.45Å; S294-N298 PolarHBondContact O-N 2.91Å; S294-N298 PolarHBondContact O-ND2 2.74Å
295K56Low60.6Low141 Ų141113.4 Ų113.461%0.61356%0.561SS**Hα-helixtrans-70.6-43.7178.5-153.9175.5-174.7179.50112.4F291 F292 N298 E299F291-K295 PolarHBondContact O-N 3.33Å; F292-K295 PolarHBondContact O-N 2.95Å; K295-N298 PolarHBondContact O-N 3Å; K295-E299 PolarHBondContact O-N 2.72Å
296I60.3Low59.9Low75 Ų75112.1 Ų112.139%0.38556%0.558SS.*Hα-helixtrans-64.7-43.6173.5-71-179.2000110.7F292 N298 E299 V300F292-I296 HydrophobicContact CD1-CD1 3.56Å; F292-I296 HydrophobicContact CD1-CG1 4.29Å; F292-I296 HydrophobicContact CE1-CD1 3.13Å; F292-I296 HydrophobicContact CE1-CG1 4.08Å; F292-I296 HydrophobicContact CG-CD1 4.43Å; F292-I296 HydrophobicContact CZ-CD1 3.67Å; F292-I296 HydrophobicContact CZ-CG1 4.29Å; F292-I296 WeakPolarHBondContact O-CG1 3.48Å; F292-I296 PolarHBondContact O-N 3.01Å; I296-N298 PolarHBondContact O-N 3.2Å; I296-E299 PolarHBondContact O-N 3.27Å; I296-V300 HydrophobicContact CG2-CG2 4.06Å; I296-V300 WeakPolarHBondContact O-CB 3.26Å; I296-V300 VanDerWaalsContact O-CG2 3.24Å; I296-V300 WeakPolarHBondContact O-CG2 3.41Å; I296-V300 PolarHBondContact O-N 3.01Å
297R57.9Low59.8Low180 Ų180111.4 Ų111.468%0.67955%0.545SS*.Hα-helixtrans-60.3-45.5177-170.4175.3-165.81654.8111.2C293 E299 V300 D301C293-R297 WeakPolarHBondContact O-CB 3.46Å; C293-R297 PolarHBondContact O-N 2.92Å; R297-E299 PolarHBondContact O-N 3.17Å; R297-V300 PolarHBondContact O-N 3.38Å; R297-D301 VanDerWaalsContact O-CB 3.29Å; R297-D301 WeakPolarHBondContact O-CB 3.28Å; R297-D301 VanDerWaalsContact O-CG 3.24Å; R297-D301 PolarHBondContact O-N 2.68Å
298N59.5Low60.2Low100 Ų100110.3 Ų110.354%0.53554%0.542SS..Hα-helixtrans-65-34.7176.2-72.4-18.7000113.2S294 K295 I296 K302S294-N298 VanDerWaalsContact O-CB 3.25Å; S294-N298 WeakPolarHBondContact O-CB 3.45Å; S294-N298 PolarHBondContact O-N 2.91Å; S294-N298 PolarHBondContact O-ND2 2.74Å; K295-N298 PolarHBondContact O-N 3Å; I296-N298 PolarHBondContact O-N 3.2Å; N298-K302 WeakPolarHBondContact O-CB 3.49Å; N298-K302 WeakPolarHBondContact O-CG 3.48Å; N298-K302 PolarHBondContact O-N 3.28Å
299E68Low61.1Low121 Ų121106.7 Ų106.757%0.56553%0.529SS*.Hα-helixtrans-72.8-38.4174.6-96.5177154.200112.8K295 I296 R297 K303K295-E299 PolarHBondContact O-N 2.72Å; I296-E299 PolarHBondContact O-N 3.27Å; R297-E299 PolarHBondContact O-N 3.17Å; E299-K303 WeakPolarHBondContact O-CG 3.24Å; E299-K303 PolarHBondContact O-N 3.24Å
300V68.1Low61.9Low75 Ų75107 Ų10746%0.45553%0.53SS..Hα-helixtrans-68.9-44.1176.11710000110.4I296 R297 K302 K303 L304I296-V300 HydrophobicContact CG2-CG2 4.06Å; I296-V300 WeakPolarHBondContact O-CB 3.26Å; I296-V300 VanDerWaalsContact O-CG2 3.24Å; I296-V300 WeakPolarHBondContact O-CG2 3.41Å; I296-V300 PolarHBondContact O-N 3.01Å; R297-V300 PolarHBondContact O-N 3.38Å; V300-K302 PolarHBondContact O-N 3.31Å; V300-K303 PolarHBondContact O-N 3.1Å; V300-L304 HydrophobicContact CG1-CD1 3.85Å; V300-L304 WeakPolarHBondContact O-CB 3.37Å; V300-L304 PolarHBondContact O-N 2.76Å
301D69Low62.9Low81 Ų81103.4 Ų103.443%0.43352%0.515SS..Hα-helixtrans-64.1-39.4176-72.4-22.5000111.4R297 L304 F305R297-D301 VanDerWaalsContact O-CB 3.29Å; R297-D301 WeakPolarHBondContact O-CB 3.28Å; R297-D301 VanDerWaalsContact O-CG 3.24Å; R297-D301 PolarHBondContact O-N 2.68Å; D301-L304 PolarHBondContact O-N 2.87Å; D301-F305 VanDerWaalsContact O-CB 3.3Å; D301-F305 WeakPolarHBondContact O-CB 3.41Å; D301-F305 PolarHBondContact O-N 2.98Å
302K70.4Confident63.9Low152 Ų152100.4 Ų100.466%0.66151%0.506SS*.Hα-helixtrans-62.6-42.4172.7-86.5-177176.4-175.30112.8N298 V300 F305 Q306N298-K302 WeakPolarHBondContact O-CB 3.49Å; N298-K302 WeakPolarHBondContact O-CG 3.48Å; N298-K302 PolarHBondContact O-N 3.28Å; V300-K302 PolarHBondContact O-N 3.31Å; K302-F305 PolarHBondContact O-N 3.05Å; K302-Q306 WeakPolarHBondContact O-CB 3.46Å; K302-Q306 PolarHBondContact O-N 3.23Å
303K72.3Confident65Low154 Ų154101.8 Ų101.867%0.6751%0.514SS*.Hα-helixtrans-69.3-38.5177.8-77.4-173.6178.4-175.30112.2E299 V300 A307E299-K303 WeakPolarHBondContact O-CG 3.24Å; E299-K303 PolarHBondContact O-N 3.24Å; V300-K303 PolarHBondContact O-N 3.1Å; K303-A307 WeakPolarHBondContact O-CB 3.49Å; K303-A307 PolarHBondContact O-N 2.69Å
304L66.4Low65.9Low94 Ų94104.8 Ų104.849%0.49252%0.521SS..Hα-helixtrans-63.2-44172.9-95.5150000111.6V300 D301 A307 Q308V300-L304 HydrophobicContact CG1-CD1 3.85Å; V300-L304 WeakPolarHBondContact O-CB 3.37Å; V300-L304 PolarHBondContact O-N 2.76Å; D301-L304 PolarHBondContact O-N 2.87Å; L304-A307 PolarHBondContact O-N 3.29Å; L304-Q308 WeakPolarHBondContact O-CG 3.23Å; L304-Q308 PolarHBondContact O-N 3.42Å
305F66.3Low66.5Low136 Ų136107.7 Ų107.760%0.59653%0.531SS*.Hα-helixtrans-64.7-44.8176.7-167.6-96.7000111.7D301 K302 A307 Q308 V309D301-F305 VanDerWaalsContact O-CB 3.3Å; D301-F305 WeakPolarHBondContact O-CB 3.41Å; D301-F305 PolarHBondContact O-N 2.98Å; K302-F305 PolarHBondContact O-N 3.05Å; F305-A307 VanDerWaalsContact C-N 3.33Å; F305-A307 PolarHBondContact O-N 3.09Å; F305-Q308 PolarHBondContact O-N 3.33Å; F305-V309 HydrophobicContact CD1-CG2 4.05Å; F305-V309 HydrophobicContact CE1-CG2 3.8Å; F305-V309 HydrophobicContact CZ-CG2 4.27Å; F305-V309 WeakPolarHBondContact O-CG2 3.41Å; F305-V309 PolarHBondContact O-N 2.92Å
306Q66.4Low66.9Low132 Ų132107.2 Ų107.262%0.61754%0.535SS*.Hα-helixtrans-61.2-40175.2-84.5177.3-34.500112.6K302 V309 T310K302-Q306 WeakPolarHBondContact O-CB 3.46Å; K302-Q306 PolarHBondContact O-N 3.23Å; Q306-V309 PolarHBondContact O-N 3.06Å; Q306-T310 PolarHBondContact O-N 3.22Å; Q306-T310 PolarHBondContact O-OG1 3.21Å
307A69.2Low67.2Low56 Ų56108 Ų10846%0.46355%0.547SS..Hα-helixtrans-66-37.8176.100000112.5K303 L304 F305 T310 S311K303-A307 WeakPolarHBondContact O-CB 3.49Å; K303-A307 PolarHBondContact O-N 2.69Å; L304-A307 PolarHBondContact O-N 3.29Å; F305-A307 VanDerWaalsContact C-N 3.33Å; F305-A307 PolarHBondContact O-N 3.09Å; A307-T310 WeakPolarHBondContact CA-OG1 3.17Å; A307-T310 PolarHBondContact O-OG1 2.8Å; A307-S311 WeakPolarHBondContact O-CB 3.48Å; A307-S311 PolarHBondContact O-N 3.15Å; A307-S311 VanDerWaalsContact O-N 3.07Å; A307-S311 PolarHBondContact O-OG 2.76Å
308Q68.1Low67.3Low113 Ų113104.8 Ų104.853%0.52855%0.548SS..Hα-helixtrans-66.9-43.9174.8-75.9179.5-23.600111.9L304 F305 S311 L312L304-Q308 WeakPolarHBondContact O-CG 3.23Å; L304-Q308 PolarHBondContact O-N 3.42Å; F305-Q308 PolarHBondContact O-N 3.33Å; Q308-S311 PolarHBondContact O-N 3.17Å; Q308-S311 PolarHBondContact O-OG 3.34Å; Q308-L312 PolarHBondContact O-N 3.31Å
309V69.8Low67Low54 Ų54108.6 Ų108.633%0.32757%0.574SS.*Hα-helixtrans-62.5-45.4177.2174.40000111.2F305 Q306 S311 L312 E313F305-V309 HydrophobicContact CD1-CG2 4.05Å; F305-V309 HydrophobicContact CE1-CG2 3.8Å; F305-V309 HydrophobicContact CZ-CG2 4.27Å; F305-V309 WeakPolarHBondContact O-CG2 3.41Å; F305-V309 PolarHBondContact O-N 2.92Å; Q306-V309 PolarHBondContact O-N 3.06Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-S311 PolarHBondContact O-N 2.8Å; V309-L312 PolarHBondContact O-N 3.47Å; V309-E313 HydrophobicContact CG1-CG 4.4Å; V309-E313 WeakPolarHBondContact O-CG 3.18Å; V309-E313 PolarHBondContact O-N 3.17Å
310T69.2Low66.9Low73 Ų73108 Ų10845%0.44858%0.575SS.*Hα-helixtrans-64.4-35176.825.20000112.9Q306 A307 Q314Q306-T310 PolarHBondContact O-N 3.22Å; Q306-T310 PolarHBondContact O-OG1 3.21Å; A307-T310 WeakPolarHBondContact CA-OG1 3.17Å; A307-T310 PolarHBondContact O-OG1 2.8Å; T310-Q314 WeakPolarHBondContact O-CB 3.29Å; T310-Q314 WeakPolarHBondContact O-CG 3.43Å; T310-Q314 PolarHBondContact O-N 3.07Å
311S69.1Low66.8Low54 Ų54109.7 Ų109.738%0.37858%0.581SS.*Hα-helixtrans-67.7-36.2174.973.90000113A307 Q308 V309 L315A307-S311 WeakPolarHBondContact O-CB 3.48Å; A307-S311 PolarHBondContact O-N 3.15Å; A307-S311 VanDerWaalsContact O-N 3.07Å; A307-S311 PolarHBondContact O-OG 2.76Å; Q308-S311 PolarHBondContact O-N 3.17Å; Q308-S311 PolarHBondContact O-OG 3.34Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-S311 PolarHBondContact O-N 2.8Å; S311-L315 WeakPolarHBondContact O-CD1 3.34Å; S311-L315 WeakPolarHBondContact O-CG 3.22Å; S311-L315 PolarHBondContact O-N 3.2Å; S311-L315 VanDerWaalsContact O-N 3.08Å
312L66.3Low66.7Low103 Ų103111.3 Ų111.354%0.53959%0.589SS.*Hα-helixtrans-71.9-40.9176.2-84.6160.4000111.9Q308 V309 L315 L316Q308-L312 PolarHBondContact O-N 3.31Å; V309-L312 PolarHBondContact O-N 3.47Å; L312-L315 PolarHBondContact O-N 3.2Å; L312-L316 WeakPolarHBondContact O-CB 2.99Å; L312-L316 WeakPolarHBondContact O-CG 3.2Å; L312-L316 PolarHBondContact O-N 3.12Å
313E70.8Confident66.5Low119 Ų119108.9 Ų108.956%0.55659%0.585SS**Hα-helixtrans-64-40.1174.6-73.7176.7167.400111.8V309 L316 S317V309-E313 HydrophobicContact CG1-CG 4.4Å; V309-E313 WeakPolarHBondContact O-CG 3.18Å; V309-E313 PolarHBondContact O-N 3.17Å; E313-L316 PolarHBondContact O-N 2.91Å; E313-S317 WeakPolarHBondContact O-CB 3.25Å; E313-S317 PolarHBondContact O-N 2.94Å; E313-S317 PolarHBondContact O-OG 3.23Å
314Q69.9Low66.2Low137 Ų137106.1 Ų106.164%0.6458%0.58SS**Hα-helixtrans-63.3-45174-80.2-179.9-23.100111.9T310 L316 S317 T318T310-Q314 WeakPolarHBondContact O-CB 3.29Å; T310-Q314 WeakPolarHBondContact O-CG 3.43Å; T310-Q314 PolarHBondContact O-N 3.07Å; Q314-L316 PolarHBondContact O-N 2.91Å; Q314-S317 PolarHBondContact O-N 3.2Å; Q314-S317 PolarHBondContact O-OG 3.5Å; Q314-T318 PolarHBondContact O-N 2.96Å; Q314-T318 PolarHBondContact O-OG1 3.02Å
315L63Low66.1Low111 Ų111106.9 Ų106.958%0.58159%0.585SS**Hα-helixtrans-62.4-41.1176.5-77.7164000112.4S311 L312 S317 T318S311-L315 WeakPolarHBondContact O-CD1 3.34Å; S311-L315 WeakPolarHBondContact O-CG 3.22Å; S311-L315 PolarHBondContact O-N 3.2Å; S311-L315 VanDerWaalsContact O-N 3.08Å; L312-L315 PolarHBondContact O-N 3.2Å; L315-S317 VanDerWaalsContact C-N 3.3Å; L315-S317 PolarHBondContact O-N 3.06Å; L315-T318 PolarHBondContact O-N 3.41Å; L315-T318 PolarHBondContact O-OG1 3.19Å
316L66Low66.1Low131 Ų131104.8 Ų104.869%0.68659%0.585SS**Hα-helixtrans-69.7-24.1176.8-75.9163.7000113.3L312 E313 Q314L312-L316 WeakPolarHBondContact O-CB 2.99Å; L312-L316 WeakPolarHBondContact O-CG 3.2Å; L312-L316 PolarHBondContact O-N 3.12Å; E313-L316 PolarHBondContact O-N 2.91Å; Q314-L316 PolarHBondContact O-N 2.91Å
317S65.1Low66.1Low92 Ų92102.7 Ų102.764%0.64358%0.582SS**Hα-helixtrans-83.4-12.8176.773.30000114.5E313 Q314 L315E313-S317 WeakPolarHBondContact O-CB 3.25Å; E313-S317 PolarHBondContact O-N 2.94Å; E313-S317 PolarHBondContact O-OG 3.23Å; Q314-S317 PolarHBondContact O-N 3.2Å; Q314-S317 PolarHBondContact O-OG 3.5Å; L315-S317 VanDerWaalsContact C-N 3.3Å; L315-S317 PolarHBondContact O-N 3.06Å
318T61.8Low65.9Low112 Ų112106.6 Ų106.669%0.68759%0.592SS**  trans-99.8-2.8179.6370000114.5Q314 L315Q314-T318 PolarHBondContact O-N 2.96Å; Q314-T318 PolarHBondContact O-OG1 3.02Å; L315-T318 PolarHBondContact O-N 3.41Å; L315-T318 PolarHBondContact O-OG1 3.19Å
319V51.3Low65.7Low180 Ų180106 Ų106100%1.09160%0.598SS**  trans-103.40174.6-178.10000109.1

Retrieved 319 of 319 residues in 285.1 ms (Link to these results)

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