A0A024R625_HUMAN Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A6H772), UniProt , Accession A0A024R625, Species HUMAN (Homo sapiens, Human), Gene PPP4C, Length 307 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
1M53.8Low83.1Confident208 Ų20878.1 Ų78.1100%1.02542%0.418SS*.  0-55.30-74.4-165.8-84.100111.8E3 I4 S5M1-E3 PolarHBondContact O-N 3.06Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-S5 WeakPolarHBondContact O-CB 3.46Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 VanDerWaalsContact O-N 3.11Å
2A62.7Low84.4Confident74 Ų7481.1 Ų81.161%0.61243%0.427SS*.Hα-helixtrans-57.2-47177.800000113.6I4 S5 D6A2-I4 PolarHBondContact O-N 3.23Å; A2-S5 WeakPolarHBondContact O-CB 3.31Å; A2-S5 PolarHBondContact O-N 3.23Å; A2-D6 PolarHBondContact O-N 3.33Å
3E67.7Low85.4Confident128 Ų12877.3 Ų77.360%0.59841%0.406SS*.Hα-helixtrans-65.6-34.7-178.2-69.2-162.4176.900115.1M1 L7 K31M1-E3 PolarHBondContact O-N 3.06Å; E3-L7 PolarHBondContact O-N 3.42Å; E3-K31 WeakPolarHBondContact OE2-CE 3.48Å; E3-K31 IonicContact OE2-NZ 2.68Å; E3-K31 PolarHBondContact OE2-NZ 3.12Å
4I73.6Confident86.3Confident98 Ų9871.8 Ų71.850%0.50338%0.377SS..Hα-helixtrans-70.1-42.9176.1-63.9174.6000108.9M1 A2 D6 L7 D8M1-I4 PolarHBondContact O-N 3.38Å; A2-I4 PolarHBondContact O-N 3.23Å; I4-D6 VanDerWaalsContact C-N 3.27Å; I4-D6 PolarHBondContact O-N 3.13Å; I4-L7 PolarHBondContact O-N 3.18Å; I4-L7 VanDerWaalsContact O-N 3.16Å; I4-D8 PolarHBondContact O-N 3.27Å
5S77Confident87.1Confident79 Ų7971 Ų7155%0.55237%0.367SS*.Hα-helixtrans-59.9-36.3176-173.40000112.7M1 A2 R9M1-S5 WeakPolarHBondContact O-CB 3.46Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 VanDerWaalsContact O-N 3.11Å; A2-S5 WeakPolarHBondContact O-CB 3.31Å; A2-S5 PolarHBondContact O-N 3.23Å; S5-R9 WeakPolarHBondContact O-CB 3.28Å; S5-R9 PolarHBondContact O-N 3.46Å
6D91.7Very high87.7Confident85 Ų8573.6 Ų73.646%0.45537%0.37SS..Hα-helixtrans-69.3-39.2176.1-80-30.4000112.1A2 I4 R9 Q10A2-D6 PolarHBondContact O-N 3.33Å; I4-D6 VanDerWaalsContact C-N 3.27Å; I4-D6 PolarHBondContact O-N 3.13Å; D6-R9 PolarHBondContact O-N 3.19Å; D6-Q10 VanDerWaalsContact O-CG 3.23Å; D6-Q10 WeakPolarHBondContact O-CG 3.42Å; D6-Q10 PolarHBondContact O-N 3.36Å
7L96.4Very high88.2Confident13 Ų1370.5 Ų70.57%0.06836%0.357CS..Hα-helixtrans-68.3-43.2178-175.960.2000111.9E3 I4 R9 Q10 I11 L28 A99 V102 R103E3-L7 PolarHBondContact O-N 3.42Å; I4-L7 PolarHBondContact O-N 3.18Å; I4-L7 VanDerWaalsContact O-N 3.16Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.16Å; L7-Q10 WeakPolarHBondContact O-CB 3.35Å; L7-Q10 PolarHBondContact O-N 3.44Å; L7-Q10 VanDerWaalsContact O-N 3.13Å; L7-I11 HydrophobicContact CG-CD1 4.17Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.39Å; L7-L28 HydrophobicContact CD1-CD1 4.03Å; L7-A99 HydrophobicContact CD1-CB 4.17Å; L7-V102 HydrophobicContact CD2-CB 4.2Å; L7-V102 HydrophobicContact CD2-CG1 3.7Å; L7-R103 HydrophobicContact CD2-CB 3.7Å; L7-R103 HydrophobicContact CD2-CG 4.4Å; L7-R103 HydrophobicContact CG-CB 4.25Å
8D97.3Very high88.7Confident60 Ų6071.2 Ų71.232%0.32136%0.359SS..Hα-helixtrans-60.7-41176.7-68.9-26.8000111I4 I11 E12 R103I4-D8 PolarHBondContact O-N 3.27Å; D8-I11 PolarHBondContact O-N 3.38Å; D8-E12 PolarHBondContact O-N 2.75Å; D8-R103 WeakPolarHBondContact OD1-CD 3.47Å; D8-R103 IonicContact OD1-CZ 3.91Å; D8-R103 IonicContact OD1-NE 2.62Å; D8-R103 PolarHBondContact OD1-NE 3.24Å; D8-R103 IonicContact OD1-NH2 2.77Å; D8-R103 IonicContact OD2-NE 3.54Å
9R97.9Very high89.1Confident85 Ų8570.4 Ų70.432%0.32136%0.356SS..Hα-helixtrans-62.4-42.5173-174.8-160.165.274.71.3112.3S5 D6 L7 E12 Q13 E24S5-R9 WeakPolarHBondContact O-CB 3.28Å; S5-R9 PolarHBondContact O-N 3.46Å; D6-R9 PolarHBondContact O-N 3.19Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.16Å; R9-E12 PolarHBondContact O-N 3.14Å; R9-Q13 WeakPolarHBondContact O-CB 3.43Å; R9-Q13 PolarHBondContact O-N 3.1Å; R9-E24 IonicContact CZ-OE1 3.18Å; R9-E24 IonicContact NH2-OE1 3.99Å; R9-E24 PolarHBondContact NH2-OE1 3.42Å; R9-E24 IonicContact NH2-OE2 3.91Å
10Q98Very high89.6Confident16 Ų1667 Ų678%0.07534%0.338CS..Hα-helixtrans-62.9-43.1176.8-73.5167.517.100111.3D6 L7 Q13 L14 I20D6-Q10 VanDerWaalsContact O-CG 3.23Å; D6-Q10 WeakPolarHBondContact O-CG 3.42Å; D6-Q10 PolarHBondContact O-N 3.36Å; L7-Q10 WeakPolarHBondContact O-CB 3.35Å; L7-Q10 PolarHBondContact O-N 3.44Å; L7-Q10 VanDerWaalsContact O-N 3.13Å; Q10-Q13 PolarHBondContact O-N 3.13Å; Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 VanDerWaalsContact O-CG 3.27Å; Q10-L14 WeakPolarHBondContact O-CG 3.37Å; Q10-L14 PolarHBondContact O-N 2.81Å; Q10-I20 HydrophobicContact CB-CG2 4.01Å; Q10-I20 HydrophobicContact CG-CG2 3.98Å
11I98.3Very high90Very high13 Ų1370.4 Ų70.47%0.06735%0.351CS..Hα-helixtrans-60.6-47.9175.6-70166.3000110.3L7 D8 Q13 L14 R15 L96 A99 L100 R103L7-I11 HydrophobicContact CG-CD1 4.17Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.39Å; D8-I11 PolarHBondContact O-N 3.38Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 2.94Å; I11-R15 HydrophobicContact CG2-CG 4.41Å; I11-R15 WeakPolarHBondContact O-CB 3.15Å; I11-R15 WeakPolarHBondContact O-CG 3.5Å; I11-R15 PolarHBondContact O-N 3.29Å; I11-L96 HydrophobicContact CG2-CD1 4.31Å; I11-A99 HydrophobicContact CD1-CB 4.41Å; I11-A99 HydrophobicContact CG1-CB 3.63Å; I11-L100 HydrophobicContact CD1-CD2 4.37Å; I11-L100 HydrophobicContact CG2-CD2 4.06Å; I11-R103 HydrophobicContact CD1-CB 3.57Å; I11-R103 HydrophobicContact CD1-CG 3.75Å
12E98Very high92.1Very high114 Ų11463.8 Ų63.853%0.53332%0.318SS..Hα-helixtrans-60.9-42.4179.2-160.9-159.4153.900111.8D8 R9 R15 R16D8-E12 PolarHBondContact O-N 2.75Å; R9-E12 PolarHBondContact O-N 3.14Å; E12-R15 PolarHBondContact O-N 3.14Å; E12-R16 VanDerWaalsContact CD-NH1 3.27Å; E12-R16 PolarHBondContact O-N 2.97Å; E12-R16 IonicContact OE1-NH1 3.44Å; E12-R16 PolarHBondContact OE1-NH1 3.21Å; E12-R16 IonicContact OE2-NH1 2.9Å
13Q98.2Very high93.8Very high32 Ų3264.2 Ų64.215%0.1532%0.316CS..Hα-helixtrans-61.3-48.7174.8-176175.2-8.300111.6R9 Q10 I11 R15 R16 E18 L19 I20R9-Q13 WeakPolarHBondContact O-CB 3.43Å; R9-Q13 PolarHBondContact O-N 3.1Å; Q10-Q13 PolarHBondContact O-N 3.13Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.82Å; Q13-R15 VanDerWaalsContact C-N 3.33Å; Q13-R15 PolarHBondContact O-N 3.4Å; Q13-R16 WeakPolarHBondContact O-CB 3.37Å; Q13-R16 PolarHBondContact O-N 3.08Å; Q13-R16 VanDerWaalsContact O-N 3.07Å; Q13-E18 HydrophobicContact CG-CB 3.58Å; Q13-E18 WeakPolarHBondContact O-CB 3.26Å; Q13-E18 PolarHBondContact O-N 2.9Å; Q13-L19 PolarHBondContact NE2-O 2.98Å; Q13-I20 HydrophobicContact CB-CG2 4.46Å; Q13-I20 HydrophobicContact CG-CG2 4.35Å
14L98.3Very high95.2Very high0 Ų059.5 Ų59.50%029%0.294CS..Hα-helixtrans-62.5-37.9177.7-72.2164.5000111.8Q10 I11 R16 C17 I20 F59 L95 L96 A99Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 VanDerWaalsContact O-CG 3.27Å; Q10-L14 WeakPolarHBondContact O-CG 3.37Å; Q10-L14 PolarHBondContact O-N 2.81Å; I11-L14 PolarHBondContact O-N 2.94Å; L14-R16 PolarHBondContact O-N 3.48Å; L14-C17 WeakPolarHBondContact O-CA 3.42Å; L14-C17 PolarHBondContact O-N 3.06Å; L14-I20 HydrophobicContact CD1-CD1 4.38Å; L14-I20 HydrophobicContact CD1-CG2 4.36Å; L14-I20 HydrophobicContact CD2-CG1 4.46Å; L14-I20 HydrophobicContact CD2-CG2 4.35Å; L14-I20 HydrophobicContact CG-CG2 4.02Å; L14-F59 WeakPolarHBondContact O-CE2 3.36Å; L14-F59 WeakPolarHBondContact O-CZ 3.37Å; L14-L95 HydrophobicContact CD1-CB 4Å; L14-L95 HydrophobicContact CD2-CB 3.82Å; L14-L95 HydrophobicContact CD2-CD1 4.42Å; L14-L96 HydrophobicContact CB-CB 4.19Å; L14-L96 HydrophobicContact CB-CD1 4.1Å; L14-A99 HydrophobicContact CD1-CB 4.06Å
15R97.4Very high96.4Very high60 Ų6054.8 Ų54.823%0.22627%0.27CS..Hα-helixtrans-62.1-22.8174.6-77.2-174.7-178-93.10.4113.9I11 E12 Q13 C17 K63 D71 L96I11-R15 HydrophobicContact CG2-CG 4.41Å; I11-R15 WeakPolarHBondContact O-CB 3.15Å; I11-R15 WeakPolarHBondContact O-CG 3.5Å; I11-R15 PolarHBondContact O-N 3.29Å; E12-R15 PolarHBondContact O-N 3.14Å; Q13-R15 VanDerWaalsContact C-N 3.33Å; Q13-R15 PolarHBondContact O-N 3.4Å; R15-C17 VanDerWaalsContact C-N 3.27Å; R15-K63 PolarHBondContact O-NZ 3.47Å; R15-D71 IonicContact CZ-OD1 2.98Å; R15-D71 VanDerWaalsContact CZ-OD1 3.29Å; R15-D71 IonicContact CZ-OD2 2.63Å; R15-D71 VanDerWaalsContact CZ-OD2 3.32Å; R15-D71 IonicContact NH1-OD1 2.85Å; R15-D71 PolarHBondContact NH1-OD1 3.08Å; R15-D71 IonicContact NH1-OD2 3.71Å; R15-D71 PolarHBondContact NH1-OD2 2.84Å; R15-D71 IonicContact NH2-OD1 3.32Å; R15-D71 PolarHBondContact NH2-OD1 2.89Å; R15-D71 IonicContact NH2-OD2 3.9Å; R15-D71 PolarHBondContact NH2-OD2 3.3Å; R15-L96 HydrophobicContact CG-CD1 3.81Å; R15-L96 HydrophobicContact CG-CD2 4.33Å
16R96.8Very high97.4Very high112 Ų11256.7 Ų56.742%0.42327%0.268SS..THydrogen-bonded Turntrans-85.25.5170.9-64.7-169.5-58.6-92.4-5.6113.4E12 Q13 L14 E18E12-R16 VanDerWaalsContact CD-NH1 3.27Å; E12-R16 PolarHBondContact O-N 2.97Å; E12-R16 IonicContact OE1-NH1 3.44Å; E12-R16 PolarHBondContact OE1-NH1 3.21Å; E12-R16 IonicContact OE2-NH1 2.9Å; Q13-R16 WeakPolarHBondContact O-CB 3.37Å; Q13-R16 PolarHBondContact O-N 3.08Å; Q13-R16 VanDerWaalsContact O-N 3.07Å; L14-R16 PolarHBondContact O-N 3.48Å; R16-E18 VanDerWaalsContact C-N 3.25Å; R16-E18 HydrophobicContact CB-CG 4.01Å; R16-E18 IonicContact CZ-OE2 2.88Å; R16-E18 IonicContact NE-OE1 3.11Å; R16-E18 PolarHBondContact NE-OE1 3.07Å; R16-E18 IonicContact NE-OE2 3.18Å; R16-E18 PolarHBondContact NE-OE2 2.85Å; R16-E18 VanDerWaalsContact NE-OE2 3.09Å; R16-E18 IonicContact NH2-OE2 3.09Å; R16-E18 PolarHBondContact NH2-OE2 3.23Å
17C96.7Very high97.7Very high22 Ų2255 Ų5515%0.14927%0.266CS..THydrogen-bonded Turntrans61.933.8-173.2-153.70000112.1L14 R15 F59 Y89L14-C17 WeakPolarHBondContact O-CA 3.42Å; L14-C17 PolarHBondContact O-N 3.06Å; R15-C17 VanDerWaalsContact C-N 3.27Å; C17-F59 HydrophobicContact CB-CD1 3.81Å; C17-F59 HydrophobicContact CB-CE1 3.45Å; C17-F59 VanDerWaalsContact CB-CE1 3.45Å; C17-F59 HydrophobicContact CB-CZ 4.07Å; C17-F59 WeakPolarHBondContact SG-CD1 3.45Å; C17-Y89 VanDerWaalsContact SG-CD1 3.56Å
18E97Very high97.8Very high83 Ų8354.5 Ų54.539%0.38826%0.263SS..  trans-106.6135.2179.2-65.6165.4-173.100110.3Q13 R16Q13-E18 HydrophobicContact CG-CB 3.58Å; Q13-E18 WeakPolarHBondContact O-CB 3.26Å; Q13-E18 PolarHBondContact O-N 2.9Å; R16-E18 VanDerWaalsContact C-N 3.25Å; R16-E18 HydrophobicContact CB-CG 4.01Å; R16-E18 IonicContact CZ-OE2 2.88Å; R16-E18 IonicContact NE-OE1 3.11Å; R16-E18 PolarHBondContact NE-OE1 3.07Å; R16-E18 IonicContact NE-OE2 3.18Å; R16-E18 PolarHBondContact NE-OE2 2.85Å; R16-E18 VanDerWaalsContact NE-OE2 3.09Å; R16-E18 IonicContact NH2-OE2 3.09Å; R16-E18 PolarHBondContact NH2-OE2 3.23Å
19L97.1Very high97.9Very high56 Ų5652 Ų5229%0.29325%0.25SC..PPolyproline II helixtrans-72.8129.4-178.9-62.7174.8000112.2Q13 V91 E92 K133 Y134Q13-L19 PolarHBondContact NE2-O 2.98Å; L19-V91 HydrophobicContact CD2-CB 4.49Å; L19-V91 HydrophobicContact CD2-CG1 3.56Å; L19-E92 HydrophobicContact CD2-CG 4.05Å; L19-E92 WeakPolarHBondContact CD2-OE1 3.32Å; L19-K133 HydrophobicContact CD1-CB 3.74Å; L19-K133 HydrophobicContact CD1-CD 4.16Å; L19-K133 HydrophobicContact CD1-CG 4.14Å; L19-K133 HydrophobicContact CD2-CD 4.13Å; L19-Y134 HydrophobicContact CD2-CE2 4.31Å
20I98.2Very high97.9Very high1 Ų149.6 Ų49.61%0.00525%0.249CC..PPolyproline II helixtrans-75.4157.2164.661.3167.8000110.4Q10 Q13 L14 E24 V25 L28 L95 Y134Q10-I20 HydrophobicContact CB-CG2 4.01Å; Q10-I20 HydrophobicContact CG-CG2 3.98Å; Q13-I20 HydrophobicContact CB-CG2 4.46Å; Q13-I20 HydrophobicContact CG-CG2 4.35Å; L14-I20 HydrophobicContact CD1-CD1 4.38Å; L14-I20 HydrophobicContact CD1-CG2 4.36Å; L14-I20 HydrophobicContact CD2-CG1 4.46Å; L14-I20 HydrophobicContact CD2-CG2 4.35Å; L14-I20 HydrophobicContact CG-CG2 4.02Å; I20-E24 HydrophobicContact CB-CB 4.15Å; I20-E24 WeakPolarHBondContact CB-OE2 3.34Å; I20-E24 HydrophobicContact CD1-CB 4.12Å; I20-E24 HydrophobicContact CG1-CB 4.43Å; I20-V25 HydrophobicContact CD1-CG2 3.9Å; I20-V25 HydrophobicContact CG1-CG2 3.75Å; I20-L28 HydrophobicContact CD1-CD2 4.27Å; I20-L95 HydrophobicContact CD1-CD1 4.47Å; I20-L95 HydrophobicContact CG1-CD1 4.17Å; I20-Y134 VanDerWaalsContact O-CE1 3.25Å; I20-Y134 WeakPolarHBondContact O-CE1 3.17Å; I20-Y134 PolarHBondContact O-OH 3.36Å
21K97.8Very high97.9Very high139 Ų13951.6 Ų51.660%0.60426%0.257SS*.PPolyproline II helixtrans-65.8153.2-177-61.8172.5-176.31670111.4S23 E24 V25K21-S23 PolarHBondContact O-N 2.99Å; K21-S23 VanDerWaalsContact O-N 3.16Å; K21-E24 HydrophobicContact CB-CB 4.42Å; K21-E24 HydrophobicContact CB-CG 4.05Å; K21-E24 PolarHBondContact N-OE2 3.38Å; K21-E24 WeakPolarHBondContact O-CA 3.38Å; K21-E24 WeakPolarHBondContact O-CB 3.25Å; K21-E24 PolarHBondContact O-N 3.02Å; K21-V25 PolarHBondContact O-N 3.17Å
22E98.3Very high97.9Very high70 Ų7051 Ų5133%0.32725%0.254SS..Hα-helixtrans-53.6-39176.2-175.6-177.4126.900112.7E24 V25 K26 Y134 S136 T138 V139 Y142E22-E24 VanDerWaalsContact C-N 3.29Å; E22-E24 PolarHBondContact O-N 3.09Å; E22-V25 PolarHBondContact O-N 2.92Å; E22-K26 PolarHBondContact O-N 2.78Å; E22-Y134 HydrophobicContact CB-CD1 4.34Å; E22-S136 PolarHBondContact OE2-OG 2.58Å; E22-T138 HydrophobicContact CG-CG2 4.39Å; E22-T138 VanDerWaalsContact OE1-CG2 3.28Å; E22-T138 WeakPolarHBondContact OE1-CG2 3.18Å; E22-V139 HydrophobicContact CB-CG2 4.44Å; E22-V139 HydrophobicContact CG-CG2 4.03Å; E22-Y142 HydrophobicContact CG-CE2 4.21Å
23S97.5Very high97.9Very high82 Ų8250 Ų5057%0.57325%0.245SC*.Hα-helixtrans-64.5-33175.657.50000113.2K21 A27K21-S23 PolarHBondContact O-N 2.99Å; K21-S23 VanDerWaalsContact O-N 3.16Å; S23-A27 PolarHBondContact O-N 2.84Å
24E98.1Very high97.9Very high29 Ų2954.7 Ų54.714%0.13627%0.268CS..Hα-helixtrans-74.4-40.6177.4-64.5168.3161.300110.1R9 I20 K21 E22 K26 A27 L28R9-E24 IonicContact CZ-OE1 3.18Å; R9-E24 IonicContact NH2-OE1 3.99Å; R9-E24 PolarHBondContact NH2-OE1 3.42Å; R9-E24 IonicContact NH2-OE2 3.91Å; I20-E24 HydrophobicContact CB-CB 4.15Å; I20-E24 WeakPolarHBondContact CB-OE2 3.34Å; I20-E24 HydrophobicContact CD1-CB 4.12Å; I20-E24 HydrophobicContact CG1-CB 4.43Å; K21-E24 HydrophobicContact CB-CB 4.42Å; K21-E24 HydrophobicContact CB-CG 4.05Å; K21-E24 PolarHBondContact N-OE2 3.38Å; K21-E24 WeakPolarHBondContact O-CA 3.38Å; K21-E24 WeakPolarHBondContact O-CB 3.25Å; K21-E24 PolarHBondContact O-N 3.02Å; E22-E24 VanDerWaalsContact C-N 3.29Å; E22-E24 PolarHBondContact O-N 3.09Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.94Å; E24-A27 PolarHBondContact O-N 3.3Å; E24-L28 WeakPolarHBondContact O-CB 3.1Å; E24-L28 PolarHBondContact O-N 3.26Å
25V98.6Very high97.9Very high0 Ų056.7 Ų56.70%028%0.278CS..Hα-helixtrans-57.3-46.1171.5178.50000111I20 K21 E22 A27 L28 C29 L95 Y134 V139 Y142I20-V25 HydrophobicContact CD1-CG2 3.9Å; I20-V25 HydrophobicContact CG1-CG2 3.75Å; K21-V25 PolarHBondContact O-N 3.17Å; E22-V25 PolarHBondContact O-N 2.92Å; V25-A27 PolarHBondContact O-N 2.73Å; V25-L28 PolarHBondContact O-N 2.8Å; V25-C29 WeakPolarHBondContact O-CB 3.45Å; V25-C29 PolarHBondContact O-N 2.7Å; V25-C29 PolarHBondContact O-SG 2.82Å; V25-L95 HydrophobicContact CG1-CD2 3.86Å; V25-L95 HydrophobicContact CG2-CD1 3.82Å; V25-L95 HydrophobicContact CG2-CD2 4.27Å; V25-Y134 HydrophobicContact CG2-CE1 4.42Å; V25-V139 HydrophobicContact CB-CG2 4.33Å; V25-V139 HydrophobicContact CG1-CG1 4.09Å; V25-V139 HydrophobicContact CG1-CG2 4.24Å; V25-V139 HydrophobicContact CG2-CG2 4.26Å; V25-Y142 HydrophobicContact CG1-CD2 4.23Å
26K98.2Very high97.9Very high118 Ų11853.9 Ų53.951%0.51327%0.267SS..Hα-helixtrans-57.7-47.4177.5-173.5-177.3-176.3174.10111.9E22 E24 C29 A30 Y142E22-K26 PolarHBondContact O-N 2.78Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.94Å; K26-C29 PolarHBondContact O-N 3.27Å; K26-A30 PolarHBondContact O-N 2.98Å; K26-Y142 HydrophobicContact CB-CD2 4.09Å; K26-Y142 HydrophobicContact CB-CE2 3.62Å; K26-Y142 HydrophobicContact CD-CE1 4.42Å; K26-Y142 HydrophobicContact CD-CE2 4.44Å; K26-Y142 HydrophobicContact CG-CE1 4.07Å; K26-Y142 HydrophobicContact CG-CE2 4.01Å
27A97.9Very high98Very high49 Ų4950.9 Ų50.941%0.40526%0.261SS..Hα-helixtrans-66-40.5179.400000111.8S23 E24 V25 A30 K31S23-A27 PolarHBondContact O-N 2.84Å; E24-A27 PolarHBondContact O-N 3.3Å; V25-A27 PolarHBondContact O-N 2.73Å; A27-A30 PolarHBondContact O-N 3.13Å; A27-K31 WeakPolarHBondContact O-CG 3.35Å; A27-K31 PolarHBondContact O-N 3.02Å; A27-K31 VanDerWaalsContact O-N 3.14Å
28L98.5Very high98Very high3 Ų357.7 Ų57.72%0.01629%0.291CS..Hα-helixtrans-61-47.9175.8175.662.4000111.4L7 I20 E24 V25 A30 K31 A32 L95 L98 A99 V102L7-L28 HydrophobicContact CD1-CD1 4.03Å; I20-L28 HydrophobicContact CD1-CD2 4.27Å; E24-L28 WeakPolarHBondContact O-CB 3.1Å; E24-L28 PolarHBondContact O-N 3.26Å; V25-L28 PolarHBondContact O-N 2.8Å; L28-A30 PolarHBondContact O-N 3.14Å; L28-K31 PolarHBondContact O-N 2.76Å; L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.07Å; L28-L95 HydrophobicContact CD2-CD2 4.24Å; L28-L98 HydrophobicContact CD2-CB 4.38Å; L28-L98 HydrophobicContact CD2-CD2 4.27Å; L28-L98 HydrophobicContact CD2-CG 4.46Å; L28-L98 HydrophobicContact CG-CD2 4.1Å; L28-L98 HydrophobicContact CG-CG 4.28Å; L28-A99 HydrophobicContact CD1-CB 4.12Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L28-V102 HydrophobicContact CD1-CB 4.02Å; L28-V102 HydrophobicContact CD1-CG1 4.49Å; L28-V102 HydrophobicContact CD1-CG2 3.72Å
29C98.7Very high98.1Very high7 Ų754.6 Ų54.65%0.04728%0.276CS..Hα-helixtrans-61-43.7177.3-67.20000111.3V25 K26 K31 A32 R33 I146V25-C29 WeakPolarHBondContact O-CB 3.45Å; V25-C29 PolarHBondContact O-N 2.7Å; V25-C29 PolarHBondContact O-SG 2.82Å; K26-C29 PolarHBondContact O-N 3.27Å; C29-K31 VanDerWaalsContact C-N 3.32Å; C29-K31 PolarHBondContact O-N 2.81Å; C29-A32 PolarHBondContact O-N 2.87Å; C29-R33 PolarHBondContact O-N 3.18Å; C29-I146 HydrophobicContact CB-CD1 3.86Å; C29-I146 HydrophobicContact CB-CG1 3.64Å; C29-I146 WeakPolarHBondContact O-CD1 3.38Å
30A98.2Very high98.1Very high36 Ų3653.6 Ų53.630%0.29827%0.274SS..Hα-helixtrans-56.9-45.1177.300000112.3K26 A27 L28 R33 E34K26-A30 PolarHBondContact O-N 2.98Å; A27-A30 PolarHBondContact O-N 3.13Å; L28-A30 PolarHBondContact O-N 3.14Å; A30-R33 PolarHBondContact O-N 3.1Å; A30-E34 PolarHBondContact O-N 2.99Å
31K98Very high98.1Very high58 Ų5853.9 Ų53.925%0.25228%0.276SS..Hα-helixtrans-66.7-41.2176.2-69.1-176.8173.1-161.70112.8E3 A27 L28 C29 R33 E34 I35 V102E3-K31 WeakPolarHBondContact OE2-CE 3.48Å; E3-K31 IonicContact OE2-NZ 2.68Å; E3-K31 PolarHBondContact OE2-NZ 3.12Å; A27-K31 WeakPolarHBondContact O-CG 3.35Å; A27-K31 PolarHBondContact O-N 3.02Å; A27-K31 VanDerWaalsContact O-N 3.14Å; L28-K31 PolarHBondContact O-N 2.76Å; C29-K31 VanDerWaalsContact C-N 3.32Å; C29-K31 PolarHBondContact O-N 2.81Å; K31-R33 VanDerWaalsContact C-N 3.28Å; K31-R33 PolarHBondContact O-N 3.5Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-E34 PolarHBondContact O-N 3.02Å; K31-I35 PolarHBondContact O-N 2.79Å; K31-V102 HydrophobicContact CB-CG1 3.74Å; K31-V102 HydrophobicContact CB-CG2 4.2Å; K31-V102 HydrophobicContact CD-CG1 4.09Å
32A98.5Very high98.2Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-61.7-39.6176.300000111.7L28 C29 E34 I35 L36 L98 V102 I146L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.07Å; C29-A32 PolarHBondContact O-N 2.87Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 3.04Å; A32-I35 PolarHBondContact O-N 3.41Å; A32-I35 VanDerWaalsContact O-N 3.16Å; A32-L36 HydrophobicContact CB-CD1 4.39Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.15Å; A32-L36 PolarHBondContact O-N 2.98Å; A32-L98 HydrophobicContact CB-CD1 3.45Å; A32-L98 VanDerWaalsContact CB-CD1 3.45Å; A32-L98 HydrophobicContact CB-CD2 4.09Å; A32-L98 HydrophobicContact CB-CG 3.81Å; A32-V102 HydrophobicContact CB-CG2 3.72Å; A32-I146 HydrophobicContact CB-CD1 4.38Å
33R98.3Very high98.2Very high93 Ų9345.9 Ų45.935%0.35124%0.24SC..Hα-helixtrans-61.5-40.4176.4-169.9178.865-156.7-1.5112.2C29 A30 K31 I35 V37 E145 I146 Y149C29-R33 PolarHBondContact O-N 3.18Å; A30-R33 PolarHBondContact O-N 3.1Å; K31-R33 VanDerWaalsContact C-N 3.28Å; K31-R33 PolarHBondContact O-N 3.5Å; R33-I35 PolarHBondContact O-N 3.48Å; R33-V37 VanDerWaalsContact O-CB 3.28Å; R33-V37 WeakPolarHBondContact O-CB 3.37Å; R33-V37 WeakPolarHBondContact O-CG1 3.42Å; R33-V37 PolarHBondContact O-N 3.14Å; R33-E145 IonicContact CZ-OE1 2.72Å; R33-E145 IonicContact NH1-OE1 3.29Å; R33-E145 PolarHBondContact NH1-OE1 3.37Å; R33-I146 HydrophobicContact CB-CD1 3.87Å; R33-Y149 HydrophobicContact CG-CD1 3.94Å; R33-Y149 HydrophobicContact CG-CD2 4.1Å; R33-Y149 HydrophobicContact CG-CE1 3.68Å; R33-Y149 HydrophobicContact CG-CE2 3.87Å; R33-Y149 HydrophobicContact CG-CG 4.15Å
34E97.9Very high98.3Very high131 Ų13150 Ų5061%0.61224%0.244SC*.Hα-helixtrans-61.4-31.5176.1-70.1169.7-171.900112.6A30 K31 A32 V37A30-E34 PolarHBondContact O-N 2.99Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-E34 PolarHBondContact O-N 3.02Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 3.04Å; E34-V37 WeakPolarHBondContact O-CG1 3.3Å
35I98.3Very high98.3Very high42 Ų4249.3 Ų49.322%0.21524%0.241CC..Hα-helixtrans-82.3-53.7177.2-64.6163000110.4K31 A32 R33 V37 E38 V102 P105K31-I35 PolarHBondContact O-N 2.79Å; A32-I35 PolarHBondContact O-N 3.41Å; A32-I35 VanDerWaalsContact O-N 3.16Å; R33-I35 PolarHBondContact O-N 3.48Å; I35-V37 PolarHBondContact O-N 2.75Å; I35-E38 PolarHBondContact O-N 3.4Å; I35-E38 VanDerWaalsContact O-N 3.15Å; I35-V102 HydrophobicContact CD1-CB 4.32Å; I35-V102 HydrophobicContact CD1-CG1 4.33Å; I35-V102 HydrophobicContact CD1-CG2 4.23Å; I35-P105 HydrophobicContact CD1-CB 4.35Å; I35-P105 HydrophobicContact CG2-CB 4Å
36L98.4Very high98.3Very high0 Ų053.2 Ų53.20%026%0.262CS..Hα-helixtrans-67.3-22.7-172.5-66.4170.8000112.9A32 E38 E39 I146 L150 R182A32-L36 HydrophobicContact CB-CD1 4.39Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.15Å; A32-L36 PolarHBondContact O-N 2.98Å; L36-E38 VanDerWaalsContact C-N 3.26Å; L36-E38 PolarHBondContact O-N 3.43Å; L36-E39 PolarHBondContact O-N 2.92Å; L36-I146 HydrophobicContact CD1-CG2 3.74Å; L36-L150 HydrophobicContact CD1-CD2 4.11Å; L36-L150 HydrophobicContact CD2-CD2 4.38Å; L36-R182 PolarHBondContact O-NH2 3.2Å
37V97.5Very high98.2Very high50 Ų5048.8 Ų48.830%0.30325%0.246SC..THydrogen-bonded Turntrans-67.5-27.7176730000112.9R33 E34 I35 Y149R33-V37 VanDerWaalsContact O-CB 3.28Å; R33-V37 WeakPolarHBondContact O-CB 3.37Å; R33-V37 WeakPolarHBondContact O-CG1 3.42Å; R33-V37 PolarHBondContact O-N 3.14Å; E34-V37 WeakPolarHBondContact O-CG1 3.3Å; I35-V37 PolarHBondContact O-N 2.75Å; V37-Y149 HydrophobicContact CB-CD1 4.05Å; V37-Y149 HydrophobicContact CB-CE1 4.21Å; V37-Y149 HydrophobicContact CG2-CD1 4.28Å; V37-Y149 HydrophobicContact CG2-CE1 4.09Å
38E97.4Very high98.3Very high164 Ų16449.2 Ų49.277%0.76624%0.244SC*.THydrogen-bonded Turntrans-85.5-13.2179.1-60.4-59.8137.100112.4I35 L36I35-E38 PolarHBondContact O-N 3.4Å; I35-E38 VanDerWaalsContact O-N 3.15Å; L36-E38 VanDerWaalsContact C-N 3.26Å; L36-E38 PolarHBondContact O-N 3.43Å
39E98.1Very high98.3Very high18 Ų1849.2 Ų49.28%0.08424%0.244CC..SBendtrans-75.8149.4177.9-67-169.8177.700112.8L36 K101 S151 R182L36-E39 PolarHBondContact O-N 2.92Å; E39-K101 WeakPolarHBondContact OE1-CE 3.27Å; E39-K101 IonicContact OE1-NZ 2.97Å; E39-K101 PolarHBondContact OE1-NZ 3.22Å; E39-S151 WeakPolarHBondContact CB-OG 3.41Å; E39-S151 PolarHBondContact OE2-OG 3.39Å; E39-S151 VanDerWaalsContact OE2-OG 3.08Å; E39-R182 VanDerWaalsContact O-CZ 3.29Å; E39-R182 PolarHBondContact O-NH1 2.94Å; E39-R182 PolarHBondContact O-NH2 2.94Å
40S98.2Very high98.3Very high36 Ų3649.1 Ų49.125%0.25224%0.244SC..  trans-85.5150.9178.2160.80000111.1V42 Q43 S151 R178S40-V42 WeakPolarHBondContact CB-O 3.46Å; S40-V42 CarbonylContact O-C 3.55Å; S40-V42 PolarHBondContact O-N 3.31Å; S40-V42 VanDerWaalsContact O-N 3.14Å; S40-V42 PolarHBondContact OG-N 3.19Å; S40-V42 VanDerWaalsContact OG-N 3.13Å; S40-V42 PolarHBondContact OG-O 2.89Å; S40-Q43 VanDerWaalsContact N-OE1 3.14Å; S40-Q43 PolarHBondContact O-N 3.49Å; S40-S151 WeakPolarHBondContact O-CB 3.36Å; S40-S151 PolarHBondContact O-OG 2.78Å; S40-S151 VanDerWaalsContact O-OG 3.07Å; S40-R178 PolarHBondContact OG-NH1 3.36Å
41N98.8Very high98.3Very high7 Ų747.4 Ų47.44%0.03723%0.229CC..SBendtrans-57.2-31172.8-66.4-11000112.5L152 S153 I177 I180 R182N41-L152 HydrophobicContact CB-CB 4.45Å; N41-L152 HydrophobicContact CB-CD1 4.37Å; N41-L152 HydrophobicContact CB-CG 4.41Å; N41-L152 PolarHBondContact O-N 2.85Å; N41-L152 VanDerWaalsContact O-N 3.15Å; N41-S153 PolarHBondContact O-N 2.9Å; N41-S153 PolarHBondContact O-OG 2.96Å; N41-S153 VanDerWaalsContact O-OG 3.12Å; N41-I177 HydrophobicContact CB-CG2 4.1Å; N41-I177 WeakPolarHBondContact CB-O 3.4Å; N41-I177 PolarHBondContact ND2-O 2.85Å; N41-I180 PolarHBondContact ND2-O 3.1Å; N41-R182 WeakPolarHBondContact OD1-CD 3.38Å; N41-R182 VanDerWaalsContact OD1-CG 3.25Å; N41-R182 WeakPolarHBondContact OD1-CG 3.35Å; N41-R182 PolarHBondContact OD1-NH1 2.73Å
42V98.8Very high98.4Very high0 Ų044.6 Ų44.60%022%0.217CC..EExtended strand (participates in β ladder)trans-107.692.2166.6-169.90000107.2S40 S153 I155 L174 I177 R178S40-V42 WeakPolarHBondContact CB-O 3.46Å; S40-V42 CarbonylContact O-C 3.55Å; S40-V42 PolarHBondContact O-N 3.31Å; S40-V42 VanDerWaalsContact O-N 3.14Å; S40-V42 PolarHBondContact OG-N 3.19Å; S40-V42 VanDerWaalsContact OG-N 3.13Å; S40-V42 PolarHBondContact OG-O 2.89Å; V42-S153 WeakPolarHBondContact CA-O 3.42Å; V42-I155 HydrophobicContact CG1-CB 3.94Å; V42-I155 HydrophobicContact CG1-CG2 3.78Å; V42-L174 HydrophobicContact CG1-CD2 4.47Å; V42-I177 HydrophobicContact CG2-CB 3.62Å; V42-I177 HydrophobicContact CG2-CD1 4.34Å; V42-I177 HydrophobicContact CG2-CG2 3.64Å; V42-R178 HydrophobicContact CB-CG 4.23Å; V42-R178 HydrophobicContact CG2-CG 3.84Å; V42-R178 PolarHBondContact O-NH1 3.11Å
43Q98.6Very high98.4Very high40 Ų4044.6 Ų44.619%0.18722%0.217CC..EExtended strand (participates in β ladder)trans-76.3128.9-176.4-175.658.714.500110.3S40 T109 S153 A154 I155S40-Q43 VanDerWaalsContact N-OE1 3.14Å; S40-Q43 PolarHBondContact O-N 3.49Å; Q43-T109 HydrophobicContact CB-CG2 4.24Å; Q43-T109 HydrophobicContact CG-CG2 3.85Å; Q43-S153 PolarHBondContact N-O 2.86Å; Q43-A154 HydrophobicContact CB-CB 4.46Å; Q43-A154 CarbonylContact O-C 3.55Å; Q43-A154 WeakPolarHBondContact O-CA 3.43Å; Q43-A154 WeakPolarHBondContact O-CB 3.17Å; Q43-I155 PolarHBondContact O-N 2.81Å
44R98.4Very high98.4Very high170 Ų17040.2 Ų40.264%0.64220%0.201SC*.EExtended strand (participates in β ladder)trans-75.2134.1174.1179.7178.8169.3178.7-2.1109.1D46R44-D46 IonicContact CZ-OD1 2.75Å; R44-D46 VanDerWaalsContact CZ-OD1 3.28Å; R44-D46 IonicContact NE-OD1 3.14Å; R44-D46 PolarHBondContact NE-OD1 3.44Å; R44-D46 IonicContact NH2-OD1 2.89Å; R44-D46 PolarHBondContact NH2-OD1 3.15Å; R44-D46 IonicContact NH2-OD2 3.28Å
45V98.6Very high98.5Very high13 Ų1334.1 Ų34.18%0.07917%0.173CC..EExtended strand (participates in β ladder)trans-129.2136.8173.5178.60000107.1V49 L78 T109 A154 I155 I156 D157V45-V49 HydrophobicContact CG1-CB 4.18Å; V45-V49 HydrophobicContact CG1-CG1 4.22Å; V45-V49 HydrophobicContact CG1-CG2 3.92Å; V45-L78 HydrophobicContact CG2-CD1 4.39Å; V45-T109 HydrophobicContact CG2-CG2 4.09Å; V45-A154 HydrophobicContact CG2-CB 4.08Å; V45-I155 PolarHBondContact N-O 3.23Å; V45-I156 HydrophobicContact CB-CG1 4.17Å; V45-I156 HydrophobicContact CG1-CG1 4.34Å; V45-I156 VanDerWaalsContact O-CA 3.27Å; V45-I156 WeakPolarHBondContact O-CA 3.44Å; V45-D157 PolarHBondContact O-N 3Å
46D98.2Very high98.4Very high83 Ų8332.3 Ų32.344%0.44416%0.163SC..PPolyproline II helixtrans-103.4147.3176-59.7-46.7000109.3R44 D157R44-D46 IonicContact CZ-OD1 2.75Å; R44-D46 VanDerWaalsContact CZ-OD1 3.28Å; R44-D46 IonicContact NE-OD1 3.14Å; R44-D46 PolarHBondContact NE-OD1 3.44Å; R44-D46 IonicContact NH2-OD1 2.89Å; R44-D46 PolarHBondContact NH2-OD1 3.15Å; R44-D46 IonicContact NH2-OD2 3.28Å; D46-D157 VanDerWaalsContact CA-OD1 3.28Å; D46-D157 WeakPolarHBondContact CA-OD1 3.36Å
47S98Very high98.4Very high25 Ų2532.3 Ų32.318%0.17516%0.163CC..SBendtrans-74.1156.6170.867.20000111.9D157 D276S47-D157 WeakPolarHBondContact CB-OD2 3.45Å; S47-D157 PolarHBondContact N-OD1 3.22Å; S47-D157 PolarHBondContact OG-OD2 2.79Å; S47-D276 VanDerWaalsContact CB-O 3.25Å; S47-D276 WeakPolarHBondContact CB-O 3.22Å; S47-D276 PolarHBondContact OG-O 3.04Å
48P98.5Very high98.4Very high57 Ų5730.1 Ų30.137%0.3715%0.15SC..SBendcis-73.3147-1.731.9-35.2000112.3N76 L275 E277P48-N76 WeakPolarHBondContact O-CB 3.49Å; P48-N76 PolarHBondContact O-ND2 3.33Å; P48-L275 CarbonylContact C-O 3.44Å; P48-L275 WeakPolarHBondContact CA-O 3.16Å; P48-L275 WeakPolarHBondContact CB-O 3.19Å; P48-E277 HydrophobicContact CG-CG 4.31Å
49V98.8Very high98.4Very high3 Ų322.4 Ų22.42%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-152.1142179.563.40000112.3V45 V51 N76 L78 I156 L275V45-V49 HydrophobicContact CG1-CB 4.18Å; V45-V49 HydrophobicContact CG1-CG1 4.22Å; V45-V49 HydrophobicContact CG1-CG2 3.92Å; V49-V51 HydrophobicContact CG1-CG2 4.36Å; V49-N76 HydrophobicContact CB-CB 4.41Å; V49-N76 HydrophobicContact CG2-CB 4.35Å; V49-L78 HydrophobicContact CG2-CB 4.04Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.35Å; V49-I156 HydrophobicContact CG1-CG2 3.82Å; V49-L275 HydrophobicContact CG1-CB 4.21Å; V49-L275 HydrophobicContact CG1-CD1 4.09Å; V49-L275 PolarHBondContact N-O 3.41Å; V49-L275 PolarHBondContact O-N 3.17Å
50T98.9Very high98.3Very high5 Ų523.5 Ų23.53%0.03112%0.117CC..EExtended strand (participates in β ladder)trans-97.5118.3171.2-580000109.8T75 N76 Y77 L78 I272 L273 E274T50-T75 VanDerWaalsContact OG1-CG2 3.31Å; T50-T75 WeakPolarHBondContact OG1-CG2 3.23Å; T50-N76 PolarHBondContact N-O 2.73Å; T50-Y77 HydrophobicContact CG2-CD1 3.98Å; T50-Y77 HydrophobicContact CG2-CE1 3.51Å; T50-Y77 CarbonylContact O-C 3.11Å; T50-Y77 WeakPolarHBondContact O-CA 3.38Å; T50-L78 PolarHBondContact O-N 2.73Å; T50-I272 HydrophobicContact CG2-CB 3.9Å; T50-I272 HydrophobicContact CG2-CD1 3.79Å; T50-I272 HydrophobicContact CG2-CG1 4.16Å; T50-I272 HydrophobicContact CG2-CG2 4.44Å; T50-L273 CarbonylContact C-O 3.55Å; T50-L273 WeakPolarHBondContact CA-O 3.12Å; T50-E274 HydrophobicContact CG2-CG 4.29Å
51V98.9Very high98.2Very high0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-98.2127.8-178.9-172.80000110V49 L78 M80 I156 L273 L275V49-V51 HydrophobicContact CG1-CG2 4.36Å; V51-L78 CarbonylContact C-O 3.48Å; V51-L78 WeakPolarHBondContact CA-O 3.32Å; V51-L78 HydrophobicContact CG1-CD2 4.06Å; V51-L78 HydrophobicContact CG1-CG 4.44Å; V51-L78 HydrophobicContact CG2-CB 4.39Å; V51-L78 HydrophobicContact CG2-CD2 4.23Å; V51-M80 HydrophobicContact CG1-CE 3.69Å; V51-M80 HydrophobicContact CG1-CG 4.03Å; V51-M80 HydrophobicContact CG1-SD 3.72Å; V51-I156 HydrophobicContact CG2-CD1 3.61Å; V51-L273 HydrophobicContact CB-CB 4.2Å; V51-L273 HydrophobicContact CB-CD2 4.3Å; V51-L273 HydrophobicContact CG2-CD2 4.31Å; V51-L273 PolarHBondContact N-O 3.36Å; V51-L273 PolarHBondContact O-N 2.88Å; V51-L275 HydrophobicContact CG2-CD1 4.13Å
52C98.9Very high98.2Very high0 Ų021.8 Ų21.80%011%0.105CC..EExtended strand (participates in β ladder)trans-120.5140.9-176.5-51.30000110.6L65 Y77 L78 F79 M80 I272C52-L65 HydrophobicContact CB-CD1 4.17Å; C52-Y77 VanDerWaalsContact SG-CD1 3.59Å; C52-L78 PolarHBondContact N-O 2.81Å; C52-F79 HydrophobicContact CB-CD1 3.54Å; C52-F79 HydrophobicContact CB-CE1 3.75Å; C52-F79 HydrophobicContact CB-CG 4.13Å; C52-F79 HydrophobicContact CB-CZ 4.49Å; C52-M80 WeakPolarHBondContact O-CB 3.09Å; C52-M80 WeakPolarHBondContact O-CG 3.22Å; C52-M80 PolarHBondContact O-N 2.8Å; C52-I272 HydrophobicContact CB-CG2 4.32Å
53G98.8Very high98.1Very high0 Ų026.3 Ų26.30%013%0.125CC..  trans-88.7-150.5171.300000112.6S258G53-S258 PolarHBondContact N-OG 2.76Å
54D98.9Very high98Very high1 Ų126.3 Ų26.31%0.00513%0.125CC..  trans-58.6141.5-176.6-56.326.3000112.4H56 D82 H164 A237 H238 W257 S258 A259D54-H56 IonicContact OD2-NE2 3.28Å; D54-D82 HydrophobicContact CB-CB 3.99Å; D54-H164 IonicContact OD1-CE1 2.82Å; D54-H164 PolarHBondContact OD1-CE1 3.29Å; D54-H164 IonicContact OD1-ND1 2.89Å; D54-H164 IonicContact OD2-CE1 3.61Å; D54-A237 WeakPolarHBondContact OD1-CB 3.48Å; D54-H238 PolarHBondContact OD1-N 3.35Å; D54-W257 HydrophobicContact CB-CD2 4.41Å; D54-W257 HydrophobicContact CB-CE3 4.03Å; D54-W257 HydrophobicContact CB-CH2 3.95Å; D54-W257 HydrophobicContact CB-CZ2 4.33Å; D54-W257 HydrophobicContact CB-CZ3 3.8Å; D54-W257 VanDerWaalsContact CG-CZ3 3.43Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.18Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.43Å; D54-S258 CarbonylContact O-C 3.57Å; D54-S258 WeakPolarHBondContact O-CA 3.36Å; D54-S258 WeakPolarHBondContact O-CB 3.15Å; D54-S258 PolarHBondContact O-N 2.98Å; D54-A259 WeakPolarHBondContact O-CB 3.37Å; D54-A259 PolarHBondContact O-N 2.95Å
55I98.6Very high98Very high3 Ų318.2 Ų18.22%0.0159%0.094CC..  trans-117.7-35.9179.5-54.1-62.4000112G57 Q58 L62 L65 F79 D82 T93I55-G57 PolarHBondContact O-N 3.44Å; I55-Q58 WeakPolarHBondContact O-CB 3.11Å; I55-Q58 WeakPolarHBondContact O-CG 3.47Å; I55-Q58 PolarHBondContact O-N 3.25Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; I55-L62 HydrophobicContact CD1-CD1 4.32Å; I55-L62 HydrophobicContact CG2-CB 4.13Å; I55-L65 HydrophobicContact CD1-CD1 3.76Å; I55-F79 HydrophobicContact CD1-CD1 4.27Å; I55-F79 HydrophobicContact CD1-CE1 4.15Å; I55-F79 HydrophobicContact CG1-CD1 4.18Å; I55-F79 HydrophobicContact CG1-CE1 4.39Å; I55-D82 PolarHBondContact N-O 3.41Å; I55-T93 HydrophobicContact CB-CG2 4.37Å; I55-T93 HydrophobicContact CG2-CG2 3.61Å
56H98.2Very high98Very high3 Ų318 Ų181%0.0149%0.092CC..THydrogen-bonded Turntrans46.553.3173.6-79-54.9000114.8D54 Q58 D82 V84 D85 R86 G87 H115 W257 Y262D54-H56 IonicContact OD2-NE2 3.28Å; H56-Q58 PolarHBondContact O-N 2.99Å; H56-D82 IonicContact CE1-OD2 3.76Å; H56-D82 PolarHBondContact CE1-OD2 2.8Å; H56-D82 VanDerWaalsContact CE1-OD2 3.23Å; H56-D82 PolarHBondContact N-O 2.68Å; H56-D82 IonicContact NE2-OD2 2.83Å; H56-D82 PolarHBondContact NE2-OD2 3.41Å; H56-V84 PolarHBondContact ND1-O 3.3Å; H56-D85 CarbonylContact C-O 3.53Å; H56-D85 WeakPolarHBondContact CA-O 3.18Å; H56-D85 WeakPolarHBondContact CB-O 3.32Å; H56-D85 VanDerWaalsContact O-O 3.08Å; H56-R86 HydrophobicContact CB-CB 4.26Å; H56-G87 WeakPolarHBondContact O-CA 3.26Å; H56-G87 PolarHBondContact O-N 3.15Å; H56-H115 AromaticContact CE1-CD2 3.52Å; H56-H115 AromaticContact CE1-CG 3.77Å; H56-H115 AromaticContact CE1-NE2 3.71Å; H56-W257 AromaticContact CD2-CH2 3.98Å; H56-Y262 HydrophobicContact CB-CD2 4.46Å; H56-Y262 HydrophobicContact CB-CE2 3.81Å; H56-Y262 AromaticContact CD2-CE2 3.17Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.29Å; H56-Y262 AromaticContact CD2-CZ 3.61Å; H56-Y262 PolarHBondContact CD2-OH 3.2Å; H56-Y262 AromaticContact CG-CE2 3.66Å; H56-Y262 AromaticContact NE2-CE2 3.82Å; H56-Y262 AromaticContact NE2-CZ 3.76Å; H56-Y262 PolarHBondContact NE2-OH 2.93Å
57G97.4Very high97.9Very high0 Ų022 Ų220%010%0.101CC..THydrogen-bonded Turntrans59.917.7175.400000115.1I55 F59 F83 Y89I55-G57 PolarHBondContact O-N 3.44Å; G57-F59 PolarHBondContact O-N 3.08Å; G57-F59 VanDerWaalsContact O-N 3.08Å; G57-F83 PolarHBondContact N-O 3.27Å; G57-Y89 CarbonylContact O-C 3.46Å; G57-Y89 WeakPolarHBondContact O-CA 3.3Å; G57-Y89 WeakPolarHBondContact O-CB 3.49Å; G57-Y89 PolarHBondContact O-N 3.28Å; G57-Y89 VanDerWaalsContact O-N 3.16Å
58Q96.8Very high97.9Very high5 Ų522.4 Ų22.42%0.02310%0.103CC..  trans-85.464.4176-58.3-163.916400110.8I55 H56 Y60 D61 L62 P260I55-Q58 WeakPolarHBondContact O-CB 3.11Å; I55-Q58 WeakPolarHBondContact O-CG 3.47Å; I55-Q58 PolarHBondContact O-N 3.25Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; H56-Q58 PolarHBondContact O-N 2.99Å; Q58-Y60 VanDerWaalsContact C-N 3.29Å; Q58-Y60 PolarHBondContact O-N 3.25Å; Q58-Y60 VanDerWaalsContact O-N 3.13Å; Q58-D61 HydrophobicContact CB-CB 4.06Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q58-D61 PolarHBondContact NE2-OD2 2.82Å; Q58-D61 WeakPolarHBondContact O-CA 3.23Å; Q58-D61 WeakPolarHBondContact O-CB 3.5Å; Q58-D61 PolarHBondContact O-N 2.92Å; Q58-L62 PolarHBondContact O-N 3.07Å; Q58-P260 PolarHBondContact NE2-O 3.25Å
59F97.4Very high97.8Very high1 Ų119.9 Ų19.90%0.0049%0.087CC..Hα-helixtrans-51.2-40.9-172178.4-90.9000115L14 C17 G57 D61 L62 K63 Y89 E92 T93 L96L14-F59 WeakPolarHBondContact O-CE2 3.36Å; L14-F59 WeakPolarHBondContact O-CZ 3.37Å; C17-F59 HydrophobicContact CB-CD1 3.81Å; C17-F59 HydrophobicContact CB-CE1 3.45Å; C17-F59 VanDerWaalsContact CB-CE1 3.45Å; C17-F59 HydrophobicContact CB-CZ 4.07Å; C17-F59 WeakPolarHBondContact SG-CD1 3.45Å; G57-F59 PolarHBondContact O-N 3.08Å; G57-F59 VanDerWaalsContact O-N 3.08Å; F59-D61 VanDerWaalsContact C-N 3.27Å; F59-D61 PolarHBondContact O-N 3.38Å; F59-L62 WeakPolarHBondContact O-CB 3.45Å; F59-L62 PolarHBondContact O-N 3.12Å; F59-K63 HydrophobicContact CD1-CD 4.16Å; F59-K63 HydrophobicContact CD1-CG 4.47Å; F59-K63 HydrophobicContact CE1-CD 3.42Å; F59-K63 VanDerWaalsContact CE1-CD 3.42Å; F59-K63 HydrophobicContact CE1-CG 3.94Å; F59-K63 HydrophobicContact CZ-CD 3.96Å; F59-K63 HydrophobicContact CZ-CG 4.2Å; F59-K63 PolarHBondContact O-N 3.08Å; F59-Y89 VanDerWaalsContact CB-CB 3.44Å; F59-Y89 HydrophobicContact CB-CG 4.12Å; F59-E92 HydrophobicContact CD2-CB 3.63Å; F59-E92 HydrophobicContact CE2-CB 3.94Å; F59-E92 HydrophobicContact CG-CB 4.22Å; F59-T93 WeakPolarHBondContact CA-OG1 3.48Å; F59-T93 PolarHBondContact N-OG1 2.84Å; F59-L96 HydrophobicContact CE2-CB 4.45Å; F59-L96 HydrophobicContact CE2-CD2 3.73Å; F59-L96 HydrophobicContact CZ-CD2 4.27Å
60Y96.5Very high97.8Very high42 Ų4221 Ų2117%0.16510%0.099CC..Hα-helixtrans-68.4-29.8179.1-64.8-80.8000112.5Q58 K63 E64 Y89 T293 R294 G295Q58-Y60 VanDerWaalsContact C-N 3.29Å; Q58-Y60 PolarHBondContact O-N 3.25Å; Q58-Y60 VanDerWaalsContact O-N 3.13Å; Y60-K63 PolarHBondContact O-N 2.86Å; Y60-E64 PolarHBondContact O-N 2.97Å; Y60-Y89 HydrophobicContact CD2-CD2 4.3Å; Y60-Y89 HydrophobicContact CD2-CE2 4.09Å; Y60-Y89 HydrophobicContact CE2-CD2 4.07Å; Y60-Y89 HydrophobicContact CE2-CE1 4.2Å; Y60-Y89 AromaticContact CE2-CE2 3.6Å; Y60-Y89 HydrophobicContact CE2-CE2 3.6Å; Y60-Y89 AromaticContact CE2-CZ 3.67Å; Y60-T293 WeakPolarHBondContact CD1-O 3.33Å; Y60-T293 WeakPolarHBondContact CE1-O 3.5Å; Y60-R294 HydrophobicContact CD2-CB 4.2Å; Y60-R294 HydrophobicContact CD2-CG 4.01Å; Y60-R294 HydrophobicContact CE2-CB 4.43Å; Y60-R294 HydrophobicContact CG-CG 4.1Å; Y60-G295 PolarHBondContact OH-N 2.91Å
61D97.2Very high97.7Very high4 Ų423.6 Ų23.62%0.02111%0.113CC..Hα-helixtrans-78.5-30.3174.5-54.9-38.1000110.9Q58 F59 K63 E64 L65 P260 A289 R294Q58-D61 HydrophobicContact CB-CB 4.06Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q58-D61 PolarHBondContact NE2-OD2 2.82Å; Q58-D61 WeakPolarHBondContact O-CA 3.23Å; Q58-D61 WeakPolarHBondContact O-CB 3.5Å; Q58-D61 PolarHBondContact O-N 2.92Å; F59-D61 VanDerWaalsContact C-N 3.27Å; F59-D61 PolarHBondContact O-N 3.38Å; D61-K63 VanDerWaalsContact C-N 3.3Å; D61-K63 PolarHBondContact O-N 2.94Å; D61-E64 WeakPolarHBondContact O-CB 3.28Å; D61-E64 PolarHBondContact O-N 2.89Å; D61-L65 WeakPolarHBondContact O-CB 3.41Å; D61-L65 PolarHBondContact O-N 2.85Å; D61-P260 HydrophobicContact CB-CG 3.76Å; D61-A289 VanDerWaalsContact OD1-CB 3.28Å; D61-A289 WeakPolarHBondContact OD1-CB 3.02Å; D61-A289 PolarHBondContact OD1-N 2.8Å; D61-R294 IonicContact OD1-CZ 3.46Å; D61-R294 IonicContact OD1-NH2 3.41Å; D61-R294 PolarHBondContact OD1-NH2 3.29Å; D61-R294 IonicContact OD2-CZ 2.97Å; D61-R294 IonicContact OD2-NH2 3.84Å; D61-R294 PolarHBondContact OD2-NH2 2.85Å
62L98Very high97.7Very high2 Ų223.9 Ų23.91%0.0111%0.114CC..Hα-helixtrans-62.5-36.9167.8177.764.1000111.8I55 Q58 F59 E64 L65 F66 F79 T93 L96 L97I55-L62 HydrophobicContact CD1-CD1 4.32Å; I55-L62 HydrophobicContact CG2-CB 4.13Å; Q58-L62 PolarHBondContact O-N 3.07Å; F59-L62 WeakPolarHBondContact O-CB 3.45Å; F59-L62 PolarHBondContact O-N 3.12Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-L65 HydrophobicContact CD1-CD1 4.39Å; L62-L65 HydrophobicContact CD1-CD2 4.48Å; L62-L65 WeakPolarHBondContact O-CB 3.21Å; L62-L65 PolarHBondContact O-N 3.15Å; L62-F66 HydrophobicContact CD1-CD2 4.24Å; L62-F66 HydrophobicContact CD1-CE2 3.71Å; L62-F66 HydrophobicContact CD1-CZ 4.07Å; L62-F66 HydrophobicContact CD2-CE2 4.16Å; L62-F66 HydrophobicContact CG-CD2 4.15Å; L62-F66 HydrophobicContact CG-CE2 3.74Å; L62-F66 VanDerWaalsContact O-CD2 3.31Å; L62-F66 WeakPolarHBondContact O-CD2 3.13Å; L62-F66 PolarHBondContact O-N 2.94Å; L62-F66 VanDerWaalsContact O-N 3.09Å; L62-F79 HydrophobicContact CD1-CE1 3.82Å; L62-F79 HydrophobicContact CD1-CZ 4.12Å; L62-T93 HydrophobicContact CD2-CG2 4.09Å; L62-L96 HydrophobicContact CD2-CD2 4.27Å; L62-L97 HydrophobicContact CD1-CD2 4.28Å; L62-L97 HydrophobicContact CD2-CD1 4.47Å; L62-L97 HydrophobicContact CD2-CD2 4.18Å; L62-L97 HydrophobicContact CD2-CG 4.12Å
63K96.8Very high97.6Very high95 Ų9525.6 Ų25.641%0.41313%0.126SC..Hα-helixtrans-64.6-38.7172.7-73.1-176.960.2160.60112R15 F59 Y60 D61 F66 R67R15-K63 PolarHBondContact O-NZ 3.47Å; F59-K63 HydrophobicContact CD1-CD 4.16Å; F59-K63 HydrophobicContact CD1-CG 4.47Å; F59-K63 HydrophobicContact CE1-CD 3.42Å; F59-K63 VanDerWaalsContact CE1-CD 3.42Å; F59-K63 HydrophobicContact CE1-CG 3.94Å; F59-K63 HydrophobicContact CZ-CD 3.96Å; F59-K63 HydrophobicContact CZ-CG 4.2Å; F59-K63 PolarHBondContact O-N 3.08Å; Y60-K63 PolarHBondContact O-N 2.86Å; D61-K63 VanDerWaalsContact C-N 3.3Å; D61-K63 PolarHBondContact O-N 2.94Å; K63-F66 PolarHBondContact O-N 3.05Å; K63-R67 WeakPolarHBondContact O-CB 3.2Å; K63-R67 PolarHBondContact O-N 2.72Å
64E96.6Very high97.5Very high40 Ų4032.8 Ų32.819%0.18716%0.159CC..Hα-helixtrans-65.8-41.3175.1-172.861.8-171.100111.2Y60 D61 L62 F66 R67 V68 F286Y60-E64 PolarHBondContact O-N 2.97Å; D61-E64 WeakPolarHBondContact O-CB 3.28Å; D61-E64 PolarHBondContact O-N 2.89Å; L62-E64 VanDerWaalsContact C-N 3.31Å; E64-F66 PolarHBondContact O-N 2.82Å; E64-R67 WeakPolarHBondContact O-CA 3.5Å; E64-R67 VanDerWaalsContact O-CB 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.2Å; E64-R67 PolarHBondContact O-N 3.13Å; E64-R67 IonicContact OE1-CZ 3.47Å; E64-R67 IonicContact OE1-NE 3.35Å; E64-R67 PolarHBondContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH2 3.99Å; E64-R67 PolarHBondContact OE1-NH2 2.86Å; E64-R67 WeakPolarHBondContact OE2-CD 3.33Å; E64-R67 IonicContact OE2-CZ 3.88Å; E64-R67 IonicContact OE2-NE 3.44Å; E64-R67 PolarHBondContact OE2-NE 2.93Å; E64-R67 IonicContact OE2-NH2 2.68Å; E64-V68 WeakPolarHBondContact O-CG2 3.15Å; E64-V68 PolarHBondContact O-N 3.08Å; E64-F286 HydrophobicContact CB-CD2 4.38Å; E64-F286 HydrophobicContact CG-CD2 3.92Å
65L98.2Very high97.5Very high0 Ų034.2 Ų34.20%017%0.168CC..Hα-helixtrans-53.6-51173.1-176.5160.9000111.5C52 I55 D61 L62 R67 V68 G69 Y77 F79 I272 F286C52-L65 HydrophobicContact CB-CD1 4.17Å; I55-L65 HydrophobicContact CD1-CD1 3.76Å; D61-L65 WeakPolarHBondContact O-CB 3.41Å; D61-L65 PolarHBondContact O-N 2.85Å; L62-L65 HydrophobicContact CD1-CD1 4.39Å; L62-L65 HydrophobicContact CD1-CD2 4.48Å; L62-L65 WeakPolarHBondContact O-CB 3.21Å; L62-L65 PolarHBondContact O-N 3.15Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 2.81Å; L65-V68 WeakPolarHBondContact O-CG2 3.39Å; L65-V68 PolarHBondContact O-N 2.83Å; L65-G69 PolarHBondContact O-N 2.81Å; L65-Y77 HydrophobicContact CD2-CD1 4.48Å; L65-Y77 HydrophobicContact CD2-CE1 3.64Å; L65-F79 HydrophobicContact CD1-CE1 4.19Å; L65-F79 HydrophobicContact CD2-CE1 4.3Å; L65-F79 HydrophobicContact CD2-CZ 4.15Å; L65-I272 HydrophobicContact CD1-CG2 3.82Å; L65-I272 HydrophobicContact CD2-CG2 4.36Å; L65-I272 HydrophobicContact CG-CG2 3.75Å; L65-F286 HydrophobicContact CB-CE2 4.35Å; L65-F286 HydrophobicContact CB-CZ 3.98Å; L65-F286 HydrophobicContact CD1-CZ 4.29Å; L65-F286 HydrophobicContact CG-CZ 4.31Å
66F98Very high97.5Very high10 Ų1035.6 Ų35.64%0.04418%0.175CC..Hα-helixtrans-66-29175.5-70.5-53000113.3L62 K63 E64 G70 V72 Y77 F79 L96 L97 L100L62-F66 HydrophobicContact CD1-CD2 4.24Å; L62-F66 HydrophobicContact CD1-CE2 3.71Å; L62-F66 HydrophobicContact CD1-CZ 4.07Å; L62-F66 HydrophobicContact CD2-CE2 4.16Å; L62-F66 HydrophobicContact CG-CD2 4.15Å; L62-F66 HydrophobicContact CG-CE2 3.74Å; L62-F66 VanDerWaalsContact O-CD2 3.31Å; L62-F66 WeakPolarHBondContact O-CD2 3.13Å; L62-F66 PolarHBondContact O-N 2.94Å; L62-F66 VanDerWaalsContact O-N 3.09Å; K63-F66 PolarHBondContact O-N 3.05Å; E64-F66 PolarHBondContact O-N 2.82Å; F66-G70 CarbonylContact O-C 3.21Å; F66-G70 WeakPolarHBondContact O-CA 3.19Å; F66-G70 PolarHBondContact O-N 2.89Å; F66-G70 VanDerWaalsContact O-N 3.15Å; F66-V72 HydrophobicContact CE1-CG2 4.27Å; F66-Y77 HydrophobicContact CD1-CE1 4.44Å; F66-Y77 AromaticContact CD1-CE2 3.91Å; F66-Y77 HydrophobicContact CD1-CE2 3.91Å; F66-Y77 AromaticContact CD1-CZ 3.79Å; F66-Y77 HydrophobicContact CE1-CD2 4.24Å; F66-Y77 HydrophobicContact CE1-CE1 4.37Å; F66-Y77 AromaticContact CE1-CE2 3.93Å; F66-Y77 HydrophobicContact CE1-CE2 3.93Å; F66-F79 HydrophobicContact CE1-CE2 4.41Å; F66-F79 AromaticContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CZ-CE2 4.42Å; F66-F79 AromaticContact CZ-CZ 3.92Å; F66-F79 HydrophobicContact CZ-CZ 3.92Å; F66-L96 HydrophobicContact CE2-CD2 4.41Å; F66-L97 HydrophobicContact CZ-CD2 4.08Å; F66-L100 HydrophobicContact CE2-CD1 4.1Å; F66-L100 HydrophobicContact CZ-CD1 3.76Å
67R96.8Very high97.6Very high166 Ų16635.6 Ų35.663%0.62618%0.175SC*.Hα-helixtrans-67.7-38.5175.8-167.4-166.370.171.6-3.4111.4K63 E64 L65K63-R67 WeakPolarHBondContact O-CB 3.2Å; K63-R67 PolarHBondContact O-N 2.72Å; E64-R67 WeakPolarHBondContact O-CA 3.5Å; E64-R67 VanDerWaalsContact O-CB 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.2Å; E64-R67 PolarHBondContact O-N 3.13Å; E64-R67 IonicContact OE1-CZ 3.47Å; E64-R67 IonicContact OE1-NE 3.35Å; E64-R67 PolarHBondContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH2 3.99Å; E64-R67 PolarHBondContact OE1-NH2 2.86Å; E64-R67 WeakPolarHBondContact OE2-CD 3.33Å; E64-R67 IonicContact OE2-CZ 3.88Å; E64-R67 IonicContact OE2-NE 3.44Å; E64-R67 PolarHBondContact OE2-NE 2.93Å; E64-R67 IonicContact OE2-NH2 2.68Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 2.81Å
68V97.2Very high97.6Very high34 Ų3435.6 Ų35.621%0.20618%0.175CC..Hα-helixtrans-89.4-36-175.2-58.30000113E64 L65 I272 I284 F286E64-V68 WeakPolarHBondContact O-CG2 3.15Å; E64-V68 PolarHBondContact O-N 3.08Å; L65-V68 WeakPolarHBondContact O-CG2 3.39Å; L65-V68 PolarHBondContact O-N 2.83Å; V68-I272 HydrophobicContact CG2-CD1 4.01Å; V68-I284 HydrophobicContact CB-CG2 3.79Å; V68-I284 HydrophobicContact CG2-CG2 3.79Å; V68-I284 WeakPolarHBondContact O-CD1 3.48Å; V68-F286 HydrophobicContact CG1-CB 4.36Å; V68-F286 HydrophobicContact CG2-CB 4.31Å; V68-F286 HydrophobicContact CG2-CD1 4.05Å; V68-F286 HydrophobicContact CG2-CG 4.22Å
69G98Very high97.7Very high4 Ų435.3 Ų35.34%0.04117%0.174CC..Hα-helixtrans-91.8-3.5178.600000115.2L65 T75 Y77L65-G69 PolarHBondContact O-N 2.81Å; G69-T75 WeakPolarHBondContact O-CG2 3.29Å; G69-T75 PolarHBondContact O-OG1 2.53Å; G69-T75 VanDerWaalsContact O-OG1 3.1Å; G69-Y77 PolarHBondContact O-OH 3.43Å
70G98.1Very high97.8Very high26 Ų2635.3 Ų35.327%0.26817%0.174SC..  trans86.7159.3-174.100000113.3F66 Y77F66-G70 CarbonylContact O-C 3.21Å; F66-G70 WeakPolarHBondContact O-CA 3.19Å; F66-G70 PolarHBondContact O-N 2.89Å; F66-G70 VanDerWaalsContact O-N 3.15Å; G70-Y77 WeakPolarHBondContact O-CE2 3.22Å; G70-Y77 PolarHBondContact O-OH 3.32Å
71D97.4Very high97.9Very high60 Ų6033.3 Ų33.332%0.32117%0.166SC..  trans-95.2160.4-172.4-149.9-0.5000112.4R15 E74 T75R15-D71 IonicContact CZ-OD1 2.98Å; R15-D71 VanDerWaalsContact CZ-OD1 3.29Å; R15-D71 IonicContact CZ-OD2 2.63Å; R15-D71 VanDerWaalsContact CZ-OD2 3.32Å; R15-D71 IonicContact NH1-OD1 2.85Å; R15-D71 PolarHBondContact NH1-OD1 3.08Å; R15-D71 IonicContact NH1-OD2 3.71Å; R15-D71 PolarHBondContact NH1-OD2 2.84Å; R15-D71 IonicContact NH2-OD1 3.32Å; R15-D71 PolarHBondContact NH2-OD1 2.89Å; R15-D71 IonicContact NH2-OD2 3.9Å; R15-D71 PolarHBondContact NH2-OD2 3.3Å; D71-E74 PolarHBondContact O-N 3.49Å; D71-E74 VanDerWaalsContact O-N 3.13Å; D71-T75 PolarHBondContact O-N 2.86Å
72V97.2Very high98Very high6 Ų633.2 Ų33.24%0.03617%0.165CC..THydrogen-bonded Turntrans-82.8133.7171.3-176.20000108.3F66 Y77 L100 Y104 R107F66-V72 HydrophobicContact CE1-CG2 4.27Å; V72-Y77 HydrophobicContact CG2-CD2 3.61Å; V72-Y77 HydrophobicContact CG2-CE2 4Å; V72-L100 HydrophobicContact CB-CD2 4.49Å; V72-Y104 HydrophobicContact CB-CD2 4.42Å; V72-Y104 HydrophobicContact CG1-CD2 3.4Å; V72-Y104 HydrophobicContact CG1-CE2 4.05Å; V72-Y104 HydrophobicContact CG1-CG 3.77Å; V72-R107 HydrophobicContact CG1-CB 4.04Å
73P97.3Very high98Very high36 Ų3633.1 Ų33.123%0.23417%0.165CC..THydrogen-bonded Turncis-98.13.415.638.1-37.4000116.9T75 Y104 R107P73-T75 VanDerWaalsContact C-N 3.33Å; P73-Y104 HydrophobicContact CB-CD1 3.71Å; P73-Y104 HydrophobicContact CB-CE1 3.72Å; P73-Y104 HydrophobicContact CB-CG 4.19Å; P73-Y104 HydrophobicContact CG-CD1 4.27Å; P73-Y104 HydrophobicContact CG-CE1 3.75Å; P73-R107 HydrophobicContact CB-CG 4.17Å; P73-R107 PolarHBondContact O-NH1 3.26Å
74E98Very high98.1Very high150 Ų15028.6 Ų28.670%0.70115%0.145SC*.THydrogen-bonded Turntrans-65.3-37.4-178.2-67.470.7-154.600112.1D71D71-E74 PolarHBondContact O-N 3.49Å; D71-E74 VanDerWaalsContact O-N 3.13Å
75T98.3Very high98.2Very high31 Ų3126.7 Ų26.719%0.1914%0.136CC..SBendtrans-105.6137.2174.5-58.60000111T50 G69 D71 P73 Y77T50-T75 VanDerWaalsContact OG1-CG2 3.31Å; T50-T75 WeakPolarHBondContact OG1-CG2 3.23Å; G69-T75 WeakPolarHBondContact O-CG2 3.29Å; G69-T75 PolarHBondContact O-OG1 2.53Å; G69-T75 VanDerWaalsContact O-OG1 3.1Å; D71-T75 PolarHBondContact O-N 2.86Å; P73-T75 VanDerWaalsContact C-N 3.33Å; T75-Y77 HydrophobicContact CG2-CD2 4.05Å; T75-Y77 HydrophobicContact CG2-CE2 3.6Å
76N98.7Very high98Very high33 Ų3328.7 Ų28.718%0.17614%0.144CC..  trans-86.4142.2171-57.8-43.7000110.6P48 V49 T50 R107P48-N76 WeakPolarHBondContact O-CB 3.49Å; P48-N76 PolarHBondContact O-ND2 3.33Å; V49-N76 HydrophobicContact CB-CB 4.41Å; V49-N76 HydrophobicContact CG2-CB 4.35Å; T50-N76 PolarHBondContact N-O 2.73Å; N76-R107 CarbonylContact C-O 3.59Å; N76-R107 VanDerWaalsContact CA-O 3.25Å; N76-R107 WeakPolarHBondContact CA-O 3.35Å; N76-R107 WeakPolarHBondContact OD1-CD 3.23Å
77Y98.9Very high97.8Very high2 Ų228.2 Ų28.21%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-127.1144.6-177-81.9-86.5000113.7T50 C52 L65 F66 G69 G70 V72 T75 F79 R107 I108 T109T50-Y77 HydrophobicContact CG2-CD1 3.98Å; T50-Y77 HydrophobicContact CG2-CE1 3.51Å; T50-Y77 CarbonylContact O-C 3.11Å; T50-Y77 WeakPolarHBondContact O-CA 3.38Å; C52-Y77 VanDerWaalsContact SG-CD1 3.59Å; L65-Y77 HydrophobicContact CD2-CD1 4.48Å; L65-Y77 HydrophobicContact CD2-CE1 3.64Å; F66-Y77 HydrophobicContact CD1-CE1 4.44Å; F66-Y77 AromaticContact CD1-CE2 3.91Å; F66-Y77 HydrophobicContact CD1-CE2 3.91Å; F66-Y77 AromaticContact CD1-CZ 3.79Å; F66-Y77 HydrophobicContact CE1-CD2 4.24Å; F66-Y77 HydrophobicContact CE1-CE1 4.37Å; F66-Y77 AromaticContact CE1-CE2 3.93Å; F66-Y77 HydrophobicContact CE1-CE2 3.93Å; G69-Y77 PolarHBondContact O-OH 3.43Å; G70-Y77 WeakPolarHBondContact O-CE2 3.22Å; G70-Y77 PolarHBondContact O-OH 3.32Å; V72-Y77 HydrophobicContact CG2-CD2 3.61Å; V72-Y77 HydrophobicContact CG2-CE2 4Å; T75-Y77 HydrophobicContact CG2-CD2 4.05Å; T75-Y77 HydrophobicContact CG2-CE2 3.6Å; Y77-F79 AromaticContact CD1-CE2 3.74Å; Y77-F79 HydrophobicContact CD1-CE2 3.74Å; Y77-F79 AromaticContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CE1-CZ 4.41Å; Y77-F79 AromaticContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CZ 4.35Å; Y77-R107 PolarHBondContact N-O 3.21Å; Y77-I108 CarbonylContact O-C 3.09Å; Y77-I108 WeakPolarHBondContact O-CA 3.37Å; Y77-T109 PolarHBondContact O-N 2.77Å
78L98.9Very high97.6Very high0 Ų022.8 Ų22.80%012%0.123CC..EExtended strand (participates in β ladder)trans-124.1113.5163.5173.270.2000108.7V45 V49 T50 V51 C52 T109 I111 A154 I156 C162V45-L78 HydrophobicContact CG2-CD1 4.39Å; V49-L78 HydrophobicContact CG2-CB 4.04Å; T50-L78 PolarHBondContact O-N 2.73Å; V51-L78 CarbonylContact C-O 3.48Å; V51-L78 WeakPolarHBondContact CA-O 3.32Å; V51-L78 HydrophobicContact CG1-CD2 4.06Å; V51-L78 HydrophobicContact CG1-CG 4.44Å; V51-L78 HydrophobicContact CG2-CB 4.39Å; V51-L78 HydrophobicContact CG2-CD2 4.23Å; C52-L78 PolarHBondContact N-O 2.81Å; L78-T109 WeakPolarHBondContact CA-O 3.45Å; L78-T109 HydrophobicContact CD1-CG2 3.49Å; L78-T109 VanDerWaalsContact CD1-CG2 3.49Å; L78-I111 HydrophobicContact CD1-CG2 4.18Å; L78-A154 HydrophobicContact CD1-CB 3.66Å; L78-A154 HydrophobicContact CD2-CB 4.05Å; L78-I156 HydrophobicContact CD2-CD1 3.94Å; L78-I156 HydrophobicContact CD2-CG1 4.27Å; L78-C162 HydrophobicContact CD2-CB 3.54Å; L78-C162 WeakPolarHBondContact CD2-SG 3.17Å
79F98.9Very high97.6Very high0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-100125.9173.8-68.7-99.5000111C52 I55 L62 L65 F66 Y77 G81 F83 L97 I108 T109 L110 I111C52-F79 HydrophobicContact CB-CD1 3.54Å; C52-F79 HydrophobicContact CB-CE1 3.75Å; C52-F79 HydrophobicContact CB-CG 4.13Å; C52-F79 HydrophobicContact CB-CZ 4.49Å; I55-F79 HydrophobicContact CD1-CD1 4.27Å; I55-F79 HydrophobicContact CD1-CE1 4.15Å; I55-F79 HydrophobicContact CG1-CD1 4.18Å; I55-F79 HydrophobicContact CG1-CE1 4.39Å; L62-F79 HydrophobicContact CD1-CE1 3.82Å; L62-F79 HydrophobicContact CD1-CZ 4.12Å; L65-F79 HydrophobicContact CD1-CE1 4.19Å; L65-F79 HydrophobicContact CD2-CE1 4.3Å; L65-F79 HydrophobicContact CD2-CZ 4.15Å; F66-F79 HydrophobicContact CE1-CE2 4.41Å; F66-F79 AromaticContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CZ-CE2 4.42Å; F66-F79 AromaticContact CZ-CZ 3.92Å; F66-F79 HydrophobicContact CZ-CZ 3.92Å; Y77-F79 AromaticContact CD1-CE2 3.74Å; Y77-F79 HydrophobicContact CD1-CE2 3.74Å; Y77-F79 AromaticContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CE1-CZ 4.41Å; Y77-F79 AromaticContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CZ 4.35Å; F79-G81 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.41Å; F79-F83 HydrophobicContact CB-CE1 3.67Å; F79-F83 HydrophobicContact CB-CZ 4.33Å; F79-L97 HydrophobicContact CD1-CD1 4.49Å; F79-L97 HydrophobicContact CD1-CD2 4.33Å; F79-L97 HydrophobicContact CD2-CD2 4.15Å; F79-L97 HydrophobicContact CE1-CD2 3.97Å; F79-L97 HydrophobicContact CE2-CD2 3.76Å; F79-L97 HydrophobicContact CG-CD2 4.42Å; F79-L97 HydrophobicContact CZ-CD2 3.68Å; F79-I108 HydrophobicContact CD2-CD1 3.98Å; F79-I108 HydrophobicContact CD2-CG1 4.03Å; F79-I108 HydrophobicContact CE2-CD1 3.74Å; F79-I108 HydrophobicContact CE2-CG1 4.11Å; F79-T109 PolarHBondContact N-O 2.81Å; F79-L110 HydrophobicContact CB-CD2 3.91Å; F79-L110 HydrophobicContact CD2-CD2 3.88Å; F79-L110 HydrophobicContact CG-CD2 4.15Å; F79-I111 WeakPolarHBondContact O-CG1 3.42Å; F79-I111 PolarHBondContact O-N 3.42Å
80M98.9Very high97.6Very high0 Ų022.5 Ų22.50%012%0.117CC..  trans-87.632.6-173.2-62.6-171.6-66.700114.5V51 C52 I111 C162 H164 R236 A237 V256V51-M80 HydrophobicContact CG1-CE 3.69Å; V51-M80 HydrophobicContact CG1-CG 4.03Å; V51-M80 HydrophobicContact CG1-SD 3.72Å; C52-M80 WeakPolarHBondContact O-CB 3.09Å; C52-M80 WeakPolarHBondContact O-CG 3.22Å; C52-M80 PolarHBondContact O-N 2.8Å; M80-I111 VanDerWaalsContact CA-CG1 3.49Å; M80-I111 HydrophobicContact CB-CD1 4.13Å; M80-I111 HydrophobicContact CB-CG1 4.34Å; M80-I111 HydrophobicContact CG-CD1 4.08Å; M80-C162 HydrophobicContact SD-CB 4.32Å; M80-H164 VanDerWaalsContact O-CB 3.27Å; M80-H164 WeakPolarHBondContact O-CB 3.4Å; M80-H164 VanDerWaalsContact O-CG 3.3Å; M80-H164 PolarHBondContact O-ND1 2.86Å; M80-R236 WeakPolarHBondContact CE-O 3.31Å; M80-A237 HydrophobicContact CB-CB 3.92Å; M80-A237 HydrophobicContact CE-CB 4.07Å; M80-V256 HydrophobicContact CE-CB 3.85Å; M80-V256 HydrophobicContact CE-CG2 4.22Å
81G98.8Very high97.6Very high0 Ų021.3 Ų21.30%011%0.105CC..SBendtrans87.1-171.9176.100000115.3F79 I111F79-G81 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.41Å; G81-I111 VanDerWaalsContact CA-O 3.23Å; G81-I111 WeakPolarHBondContact CA-O 3.44Å; G81-I111 PolarHBondContact N-O 2.9Å
82D98.8Very high97.6Very high2 Ų218.8 Ų18.81%0.0119%0.091CC..  trans5556-179.2-81.719.8000112D54 I55 H56 G113 N114 H115 E116 H164D54-D82 HydrophobicContact CB-CB 3.99Å; I55-D82 PolarHBondContact N-O 3.41Å; H56-D82 IonicContact CE1-OD2 3.76Å; H56-D82 PolarHBondContact CE1-OD2 2.8Å; H56-D82 VanDerWaalsContact CE1-OD2 3.23Å; H56-D82 PolarHBondContact N-O 2.68Å; H56-D82 IonicContact NE2-OD2 2.83Å; H56-D82 PolarHBondContact NE2-OD2 3.41Å; D82-G113 WeakPolarHBondContact OD1-CA 3.26Å; D82-N114 PolarHBondContact OD1-N 2.8Å; D82-N114 PolarHBondContact OD1-OD1 2.78Å; D82-N114 PolarHBondContact OD2-OD1 3.46Å; D82-H115 WeakPolarHBondContact OD1-CB 3.1Å; D82-H115 IonicContact OD1-CD2 2.68Å; D82-H115 IonicContact OD1-CG 2.78Å; D82-H115 PolarHBondContact OD1-N 3.22Å; D82-H115 IonicContact OD2-CD2 3.99Å; D82-H115 PolarHBondContact OD2-CD2 3.25Å; D82-H115 IonicContact OD2-CG 2.8Å; D82-E116 PolarHBondContact N-OE2 3.39Å; D82-H164 IonicContact OD1-CE1 2.61Å; D82-H164 PolarHBondContact OD1-CE1 3.41Å; D82-H164 IonicContact OD1-NE2 3.97Å; D82-H164 PolarHBondContact OD1-NE2 2.92Å; D82-H164 IonicContact OD2-CE1 3.79Å; D82-H164 PolarHBondContact OD2-CE1 3.36Å; D82-H164 IonicContact OD2-NE2 3.93Å
83F98.8Very high97.7Very high0 Ų018.5 Ų18.50%09%0.09CC..  trans-77.9-30.9177.3-44.7-49.6000111.5G57 F79 T93 F94 L97 L110 I111 E116 L150G57-F83 PolarHBondContact N-O 3.27Å; F79-F83 HydrophobicContact CB-CE1 3.67Å; F79-F83 HydrophobicContact CB-CZ 4.33Å; F83-T93 HydrophobicContact CB-CG2 4.44Å; F83-T93 VanDerWaalsContact O-CG2 3.3Å; F83-T93 WeakPolarHBondContact O-CG2 3.49Å; F83-F94 HydrophobicContact CB-CB 4.49Å; F83-F94 HydrophobicContact CB-CD2 4.13Å; F83-F94 AromaticContact CD2-CD2 3.67Å; F83-F94 HydrophobicContact CD2-CD2 3.67Å; F83-F94 AromaticContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CE2-CE2 4.37Å; F83-F94 HydrophobicContact CG-CD2 4.21Å; F83-L97 HydrophobicContact CB-CD1 4.31Å; F83-L97 HydrophobicContact CD1-CD1 3.64Å; F83-L97 HydrophobicContact CE1-CD1 4.25Å; F83-L97 HydrophobicContact CG-CD1 4.05Å; F83-L110 HydrophobicContact CE1-CD2 4.46Å; F83-L110 HydrophobicContact CE2-CB 4.39Å; F83-L110 HydrophobicContact CZ-CB 4.01Å; F83-L110 HydrophobicContact CZ-CD2 4.23Å; F83-I111 WeakPolarHBondContact CZ-O 3.21Å; F83-E116 HydrophobicContact CD2-CG 3.91Å; F83-E116 HydrophobicContact CE2-CG 4.28Å; F83-E116 PolarHBondContact N-OE1 2.89Å; F83-L150 HydrophobicContact CE2-CD1 3.97Å
84V98.7Very high97.8Very high0 Ų016.8 Ų16.80%08%0.079CC..SBendtrans-111.7177.8-170-570000112.9H56 F94 H115 E116 T121 F126 F147H56-V84 PolarHBondContact ND1-O 3.3Å; V84-F94 HydrophobicContact CG1-CB 3.87Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; V84-H115 HydrophobicContact CG2-CB 4.29Å; V84-E116 PolarHBondContact N-OE1 2.89Å; V84-T121 HydrophobicContact CG2-CG2 3.73Å; V84-F126 HydrophobicContact CB-CB 4.11Å; V84-F126 HydrophobicContact CB-CD1 4.3Å; V84-F126 HydrophobicContact CB-CD2 4.08Å; V84-F126 HydrophobicContact CB-CG 3.92Å; V84-F126 HydrophobicContact CG1-CD1 4.29Å; V84-F126 HydrophobicContact CG1-CD2 4Å; V84-F126 HydrophobicContact CG1-CE1 4.28Å; V84-F126 HydrophobicContact CG1-CE2 3.96Å; V84-F126 HydrophobicContact CG1-CG 4.14Å; V84-F126 HydrophobicContact CG1-CZ 4.1Å; V84-F126 HydrophobicContact CG2-CB 4.34Å; V84-F126 HydrophobicContact CG2-CD1 4.32Å; V84-F126 HydrophobicContact CG2-CG 4.29Å; V84-F147 HydrophobicContact CG1-CZ 4.04Å; V84-F147 HydrophobicContact CG2-CE2 4.48Å; V84-F147 HydrophobicContact CG2-CZ 4.24Å
85D97.7Very high97.8Very high0 Ų09.7 Ų9.70%05%0.045CC..SBendtrans65166.2-178-68.6-34.7000114.4H56 G87 S90 H115 T121 Y124 G125 F126H56-D85 CarbonylContact C-O 3.53Å; H56-D85 WeakPolarHBondContact CA-O 3.18Å; H56-D85 WeakPolarHBondContact CB-O 3.32Å; H56-D85 VanDerWaalsContact O-O 3.08Å; D85-G87 PolarHBondContact O-N 2.8Å; D85-S90 PolarHBondContact N-OG 3.26Å; D85-H115 WeakPolarHBondContact CB-ND1 3.27Å; D85-H115 IonicContact OD2-CE1 3.78Å; D85-H115 IonicContact OD2-CG 3.15Å; D85-H115 IonicContact OD2-ND1 3.88Å; D85-H115 PolarHBondContact OD2-ND1 2.7Å; D85-T121 WeakPolarHBondContact OD2-CA 3.48Å; D85-Y124 WeakPolarHBondContact CB-O 3.11Å; D85-Y124 VanDerWaalsContact OD1-C 3.23Å; D85-G125 PolarHBondContact OD1-N 3.13Å; D85-F126 WeakPolarHBondContact OD1-CB 3.3Å; D85-F126 PolarHBondContact OD1-N 3.36Å
86R94.4Very high97.8Very high42 Ų428.3 Ų8.316%0.1584%0.037CC..SBendtrans65.2-64.4-178-43.3-64.4-173146.16.4112.5H56 Y124 Y262 Y305 F306H56-R86 HydrophobicContact CB-CB 4.26Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.48Å; R86-Y124 PolarHBondContact N-O 3.37Å; R86-Y124 VanDerWaalsContact NH2-CE1 3.32Å; R86-Y262 HydrophobicContact CB-CE2 4.19Å; R86-Y262 HydrophobicContact CG-CE2 4.17Å; R86-Y262 WeakPolarHBondContact CG-OH 3.33Å; R86-Y305 PolarHBondContact NH1-O 2.68Å; R86-Y305 WeakPolarHBondContact O-CE2 3.45Å; R86-F306 WeakPolarHBondContact O-CE1 3.47Å; R86-F306 WeakPolarHBondContact O-CZ 3.47Å
87G93.5Very high97.8Very high1 Ų16.7 Ų6.71%0.013%0.028CC..SBendtrans-64.7161.617700000113.9H56 D85 Y89 S90 Y264H56-G87 WeakPolarHBondContact O-CA 3.26Å; H56-G87 PolarHBondContact O-N 3.15Å; D85-G87 PolarHBondContact O-N 2.8Å; G87-Y89 VanDerWaalsContact C-N 3.32Å; G87-Y89 PolarHBondContact O-N 3.42Å; G87-S90 PolarHBondContact O-OG 3.25Å; G87-Y264 WeakPolarHBondContact CA-OH 3.16Å
88F92.9Very high97.8Very high51 Ų516.6 Ų6.622%0.2243%0.028CC..THydrogen-bonded Turntrans-82.7-5.7-178.8-62.9-65.4000115.1K133 Y264 P297 F306F88-K133 PolarHBondContact O-NZ 2.85Å; F88-Y264 HydrophobicContact CD2-CD2 4.42Å; F88-Y264 AromaticContact CD2-CE2 3.45Å; F88-Y264 HydrophobicContact CD2-CE2 3.45Å; F88-Y264 VanDerWaalsContact CD2-CE2 3.45Å; F88-Y264 AromaticContact CD2-CZ 3.69Å; F88-Y264 WeakPolarHBondContact CD2-OH 3.46Å; F88-Y264 AromaticContact CE2-CD2 3.85Å; F88-Y264 HydrophobicContact CE2-CD2 3.85Å; F88-Y264 AromaticContact CE2-CE2 3.28Å; F88-Y264 HydrophobicContact CE2-CE2 3.28Å; F88-Y264 AromaticContact CE2-CZ 3.97Å; F88-Y264 HydrophobicContact CG-CE2 4.46Å; F88-Y264 HydrophobicContact CZ-CE2 4.2Å; F88-Y264 PolarHBondContact N-OH 3.16Å; F88-P297 HydrophobicContact CD2-CB 4.09Å; F88-P297 HydrophobicContact CD2-CG 3.6Å; F88-P297 HydrophobicContact CE2-CB 4.13Å; F88-P297 HydrophobicContact CE2-CG 3.7Å; F88-P297 HydrophobicContact CG-CB 4.31Å; F88-P297 HydrophobicContact CG-CG 4.24Å; F88-P297 HydrophobicContact CZ-CB 4.38Å; F88-P297 HydrophobicContact CZ-CG 4.41Å; F88-F306 HydrophobicContact CD1-CZ 4.25Å; F88-F306 HydrophobicContact CD2-CZ 4.49Å; F88-F306 AromaticContact CE1-CE2 3.6Å; F88-F306 HydrophobicContact CE1-CE2 3.6Å; F88-F306 AromaticContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE2-CE2 4.38Å; F88-F306 AromaticContact CE2-CZ 3.92Å; F88-F306 HydrophobicContact CE2-CZ 3.92Å; F88-F306 AromaticContact CZ-CE2 3.49Å; F88-F306 HydrophobicContact CZ-CE2 3.49Å; F88-F306 VanDerWaalsContact CZ-CE2 3.49Å; F88-F306 AromaticContact CZ-CZ 3.45Å; F88-F306 HydrophobicContact CZ-CZ 3.45Å; F88-F306 VanDerWaalsContact CZ-CZ 3.45Å
89Y96.4Very high97.8Very high32 Ų326.6 Ų6.613%0.1253%0.028CC..THydrogen-bonded Turntrans-12933.5-169.2-55.5-83.5000112.5C17 G57 F59 Y60 G87 V91 E92 T93 E129 G295C17-Y89 VanDerWaalsContact SG-CD1 3.56Å; G57-Y89 CarbonylContact O-C 3.46Å; G57-Y89 WeakPolarHBondContact O-CA 3.3Å; G57-Y89 WeakPolarHBondContact O-CB 3.49Å; G57-Y89 PolarHBondContact O-N 3.28Å; G57-Y89 VanDerWaalsContact O-N 3.16Å; F59-Y89 VanDerWaalsContact CB-CB 3.44Å; F59-Y89 HydrophobicContact CB-CG 4.12Å; Y60-Y89 HydrophobicContact CD2-CD2 4.3Å; Y60-Y89 HydrophobicContact CD2-CE2 4.09Å; Y60-Y89 HydrophobicContact CE2-CD2 4.07Å; Y60-Y89 HydrophobicContact CE2-CE1 4.2Å; Y60-Y89 AromaticContact CE2-CE2 3.6Å; Y60-Y89 HydrophobicContact CE2-CE2 3.6Å; Y60-Y89 AromaticContact CE2-CZ 3.67Å; G87-Y89 VanDerWaalsContact C-N 3.32Å; G87-Y89 PolarHBondContact O-N 3.42Å; Y89-V91 PolarHBondContact O-N 3.36Å; Y89-E92 WeakPolarHBondContact CA-OE2 3.48Å; Y89-E92 WeakPolarHBondContact CB-OE2 3.34Å; Y89-E92 PolarHBondContact O-N 3.42Å; Y89-T93 VanDerWaalsContact O-CB 3.29Å; Y89-T93 WeakPolarHBondContact O-CB 3.35Å; Y89-T93 PolarHBondContact O-N 3.38Å; Y89-T93 PolarHBondContact O-OG1 3.42Å; Y89-E129 WeakPolarHBondContact CA-OE1 3.32Å; Y89-G295 PolarHBondContact OH-O 3.16Å
90S98.2Very high97.8Very high0 Ų06.7 Ų6.70%03%0.028CC..Hα-helixtrans-59.6-36.2177.7-55.20000112.3D85 G87 F94 E129D85-S90 PolarHBondContact N-OG 3.26Å; G87-S90 PolarHBondContact O-OG 3.25Å; S90-F94 WeakPolarHBondContact O-CB 3.27Å; S90-F94 PolarHBondContact O-N 3.16Å; S90-E129 WeakPolarHBondContact CB-OE2 3.18Å; S90-E129 VanDerWaalsContact N-CD 3.32Å; S90-E129 PolarHBondContact N-OE1 3.03Å; S90-E129 PolarHBondContact N-OE2 2.77Å; S90-E129 PolarHBondContact OG-OE2 3.44Å; S90-E129 VanDerWaalsContact OG-OE2 3.1Å
91V98.3Very high97.8Very high2 Ų26.7 Ų6.71%0.0123%0.028CC..Hα-helixtrans-62-53.2176.7169.10000110.7L19 Y89 L95 F126 E129 K133 Y134L19-V91 HydrophobicContact CD2-CB 4.49Å; L19-V91 HydrophobicContact CD2-CG1 3.56Å; Y89-V91 PolarHBondContact O-N 3.36Å; V91-L95 HydrophobicContact CG1-CD1 3.76Å; V91-L95 HydrophobicContact CG1-CG 4.48Å; V91-L95 VanDerWaalsContact O-CB 3.24Å; V91-L95 WeakPolarHBondContact O-CB 3.38Å; V91-L95 WeakPolarHBondContact O-CG 3.27Å; V91-L95 PolarHBondContact O-N 2.62Å; V91-F126 HydrophobicContact CG2-CD2 4.31Å; V91-F126 HydrophobicContact CG2-CE2 3.8Å; V91-E129 WeakPolarHBondContact CB-OE1 3.36Å; V91-E129 HydrophobicContact CG2-CG 4.03Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.41Å; V91-E129 PolarHBondContact N-OE1 3.2Å; V91-K133 HydrophobicContact CB-CD 4.16Å; V91-K133 HydrophobicContact CG1-CD 4.49Å; V91-K133 HydrophobicContact CG2-CD 4.21Å; V91-Y134 HydrophobicContact CG1-CE2 3.69Å
92E98.3Very high97.8Very high7 Ų77.6 Ų7.63%0.0333%0.033CC..Hα-helixtrans-66.2-41.1-179.2-61.683.8171.900110.7L19 F59 Y89 L96 K133L19-E92 HydrophobicContact CD2-CG 4.05Å; L19-E92 WeakPolarHBondContact CD2-OE1 3.32Å; F59-E92 HydrophobicContact CD2-CB 3.63Å; F59-E92 HydrophobicContact CE2-CB 3.94Å; F59-E92 HydrophobicContact CG-CB 4.22Å; Y89-E92 WeakPolarHBondContact CA-OE2 3.48Å; Y89-E92 WeakPolarHBondContact CB-OE2 3.34Å; Y89-E92 PolarHBondContact O-N 3.42Å; E92-L96 WeakPolarHBondContact O-CB 3.5Å; E92-L96 PolarHBondContact O-N 2.81Å; E92-K133 WeakPolarHBondContact OE1-CE 3.49Å; E92-K133 IonicContact OE1-NZ 3.5Å; E92-K133 PolarHBondContact OE1-NZ 2.98Å; E92-K133 IonicContact OE2-NZ 3.75Å; E92-K133 PolarHBondContact OE2-NZ 3.22Å
93T98.7Very high97.7Very high0 Ų011.1 Ų11.10%05%0.047CC..Hα-helixtrans-57.7-57.4176.3-71.10000111.4I55 F59 L62 F83 Y89 L96 L97I55-T93 HydrophobicContact CB-CG2 4.37Å; I55-T93 HydrophobicContact CG2-CG2 3.61Å; F59-T93 WeakPolarHBondContact CA-OG1 3.48Å; F59-T93 PolarHBondContact N-OG1 2.84Å; L62-T93 HydrophobicContact CD2-CG2 4.09Å; F83-T93 HydrophobicContact CB-CG2 4.44Å; F83-T93 VanDerWaalsContact O-CG2 3.3Å; F83-T93 WeakPolarHBondContact O-CG2 3.49Å; Y89-T93 VanDerWaalsContact O-CB 3.29Å; Y89-T93 WeakPolarHBondContact O-CB 3.35Å; Y89-T93 PolarHBondContact O-N 3.38Å; Y89-T93 PolarHBondContact O-OG1 3.42Å; T93-L96 PolarHBondContact O-N 2.89Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.79Å; T93-L97 VanDerWaalsContact O-N 3.11Å
94F98.9Very high97.7Very high0 Ų013.5 Ų13.50%06%0.056CC..Hα-helixtrans-67.4-42.5-176-179.3-113.1000111.8F83 V84 S90 L96 L97 L98 C143 I146 F147F83-F94 HydrophobicContact CB-CB 4.49Å; F83-F94 HydrophobicContact CB-CD2 4.13Å; F83-F94 AromaticContact CD2-CD2 3.67Å; F83-F94 HydrophobicContact CD2-CD2 3.67Å; F83-F94 AromaticContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CE2-CE2 4.37Å; F83-F94 HydrophobicContact CG-CD2 4.21Å; V84-F94 HydrophobicContact CG1-CB 3.87Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; S90-F94 WeakPolarHBondContact O-CB 3.27Å; S90-F94 PolarHBondContact O-N 3.16Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.31Å; F94-L97 PolarHBondContact O-N 2.56Å; F94-L98 HydrophobicContact CE1-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CD1 4.22Å; F94-L98 HydrophobicContact CZ-CD2 4.22Å; F94-L98 VanDerWaalsContact O-CB 3.25Å; F94-L98 WeakPolarHBondContact O-CB 3.28Å; F94-L98 PolarHBondContact O-N 3Å; F94-C143 HydrophobicContact CD1-CB 3.98Å; F94-C143 HydrophobicContact CE1-CB 3.8Å; F94-I146 HydrophobicContact CZ-CB 4.45Å; F94-I146 HydrophobicContact CZ-CG2 3.99Å; F94-F147 AromaticContact CD1-CE1 3.91Å; F94-F147 HydrophobicContact CD1-CE1 3.91Å; F94-F147 AromaticContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CE1-CD1 4.19Å; F94-F147 AromaticContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CZ 4.43Å; F94-F147 HydrophobicContact CE2-CD1 4.06Å; F94-F147 AromaticContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CG-CE1 4.12Å; F94-F147 AromaticContact CZ-CD1 3.71Å; F94-F147 HydrophobicContact CZ-CD1 3.71Å; F94-F147 AromaticContact CZ-CE1 3.38Å; F94-F147 HydrophobicContact CZ-CE1 3.38Å
95L98.8Very high97.6Very high1 Ų115.6 Ų15.61%0.0057%0.07CC..Hα-helixtrans-65.3-35.3178.9-66.8178.3000112.2L14 I20 V25 L28 V91 A99L14-L95 HydrophobicContact CD1-CB 4Å; L14-L95 HydrophobicContact CD2-CB 3.82Å; L14-L95 HydrophobicContact CD2-CD1 4.42Å; I20-L95 HydrophobicContact CD1-CD1 4.47Å; I20-L95 HydrophobicContact CG1-CD1 4.17Å; V25-L95 HydrophobicContact CG1-CD2 3.86Å; V25-L95 HydrophobicContact CG2-CD1 3.82Å; V25-L95 HydrophobicContact CG2-CD2 4.27Å; L28-L95 HydrophobicContact CD2-CD2 4.24Å; V91-L95 HydrophobicContact CG1-CD1 3.76Å; V91-L95 HydrophobicContact CG1-CG 4.48Å; V91-L95 VanDerWaalsContact O-CB 3.24Å; V91-L95 WeakPolarHBondContact O-CB 3.38Å; V91-L95 WeakPolarHBondContact O-CG 3.27Å; V91-L95 PolarHBondContact O-N 2.62Å; L95-A99 WeakPolarHBondContact O-CB 2.94Å; L95-A99 PolarHBondContact O-N 2.95Å
96L98.8Very high97.6Very high1 Ų122.6 Ų22.61%0.00511%0.107CC..Hα-helixtrans-64.3-51174.517759000111I11 L14 R15 F59 L62 F66 E92 T93 F94 L98 A99 L100I11-L96 HydrophobicContact CG2-CD1 4.31Å; L14-L96 HydrophobicContact CB-CB 4.19Å; L14-L96 HydrophobicContact CB-CD1 4.1Å; R15-L96 HydrophobicContact CG-CD1 3.81Å; R15-L96 HydrophobicContact CG-CD2 4.33Å; F59-L96 HydrophobicContact CE2-CB 4.45Å; F59-L96 HydrophobicContact CE2-CD2 3.73Å; F59-L96 HydrophobicContact CZ-CD2 4.27Å; L62-L96 HydrophobicContact CD2-CD2 4.27Å; F66-L96 HydrophobicContact CE2-CD2 4.41Å; E92-L96 WeakPolarHBondContact O-CB 3.5Å; E92-L96 PolarHBondContact O-N 2.81Å; T93-L96 PolarHBondContact O-N 2.89Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.31Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 PolarHBondContact O-N 3.41Å; L96-A99 PolarHBondContact O-N 2.85Å; L96-L100 HydrophobicContact CD1-CD1 4.12Å; L96-L100 HydrophobicContact CD1-CG 4.2Å; L96-L100 HydrophobicContact CG-CD1 4.12Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.15Å; L96-L100 PolarHBondContact O-N 3.45Å
97L98.9Very high97.8Very high0 Ų025.9 Ų25.90%012%0.12CC..Hα-helixtrans-59.4-41.5178.1-68.9174.2000111.4L62 F66 F79 F83 T93 F94 L100 K101 I108 L110L62-L97 HydrophobicContact CD1-CD2 4.28Å; L62-L97 HydrophobicContact CD2-CD1 4.47Å; L62-L97 HydrophobicContact CD2-CD2 4.18Å; L62-L97 HydrophobicContact CD2-CG 4.12Å; F66-L97 HydrophobicContact CZ-CD2 4.08Å; F79-L97 HydrophobicContact CD1-CD1 4.49Å; F79-L97 HydrophobicContact CD1-CD2 4.33Å; F79-L97 HydrophobicContact CD2-CD2 4.15Å; F79-L97 HydrophobicContact CE1-CD2 3.97Å; F79-L97 HydrophobicContact CE2-CD2 3.76Å; F79-L97 HydrophobicContact CG-CD2 4.42Å; F79-L97 HydrophobicContact CZ-CD2 3.68Å; F83-L97 HydrophobicContact CB-CD1 4.31Å; F83-L97 HydrophobicContact CD1-CD1 3.64Å; F83-L97 HydrophobicContact CE1-CD1 4.25Å; F83-L97 HydrophobicContact CG-CD1 4.05Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.79Å; T93-L97 VanDerWaalsContact O-N 3.11Å; F94-L97 PolarHBondContact O-N 2.56Å; L97-L100 PolarHBondContact O-N 2.83Å; L97-K101 WeakPolarHBondContact O-CB 3.49Å; L97-K101 PolarHBondContact O-N 3.13Å; L97-I108 HydrophobicContact CD2-CD1 4.13Å; L97-L110 HydrophobicContact CB-CD1 4.26Å; L97-L110 HydrophobicContact CB-CD2 4.26Å
98L98.8Very high98Very high0 Ų025.9 Ų25.90%012%0.119CC..Hα-helixtrans-66.6-41.4177.6-165.266.1000112.3L28 A32 F94 L96 K101 V102 I146L28-L98 HydrophobicContact CD2-CB 4.38Å; L28-L98 HydrophobicContact CD2-CD2 4.27Å; L28-L98 HydrophobicContact CD2-CG 4.46Å; L28-L98 HydrophobicContact CG-CD2 4.1Å; L28-L98 HydrophobicContact CG-CG 4.28Å; A32-L98 HydrophobicContact CB-CD1 3.45Å; A32-L98 VanDerWaalsContact CB-CD1 3.45Å; A32-L98 HydrophobicContact CB-CD2 4.09Å; A32-L98 HydrophobicContact CB-CG 3.81Å; F94-L98 HydrophobicContact CE1-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CD1 4.22Å; F94-L98 HydrophobicContact CZ-CD2 4.22Å; F94-L98 VanDerWaalsContact O-CB 3.25Å; F94-L98 WeakPolarHBondContact O-CB 3.28Å; F94-L98 PolarHBondContact O-N 3Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 PolarHBondContact O-N 3.41Å; L98-K101 WeakPolarHBondContact O-CB 3.3Å; L98-K101 PolarHBondContact O-N 3.32Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.47Å; L98-I146 HydrophobicContact CD1-CG2 3.82Å; L98-I146 HydrophobicContact CD2-CG2 4.3Å
99A98.7Very high98.3Very high0 Ų024 Ų240%011%0.112CC..Hα-helixtrans-64.5-41.1176.100000111.9L7 I11 L14 L28 L95 L96 K101 V102 R103L7-A99 HydrophobicContact CD1-CB 4.17Å; I11-A99 HydrophobicContact CD1-CB 4.41Å; I11-A99 HydrophobicContact CG1-CB 3.63Å; L14-A99 HydrophobicContact CD1-CB 4.06Å; L28-A99 HydrophobicContact CD1-CB 4.12Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L95-A99 WeakPolarHBondContact O-CB 2.94Å; L95-A99 PolarHBondContact O-N 2.95Å; L96-A99 PolarHBondContact O-N 2.85Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-V102 PolarHBondContact O-N 2.99Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.25Å; A99-R103 PolarHBondContact O-N 3.3Å
100L98.6Very high98.4Very high1 Ų122.5 Ų22.51%0.00511%0.106CC..Hα-helixtrans-62.4-41.3172.4-68.3171.1000111.3I11 F66 V72 L96 L97 R103 Y104 I108I11-L100 HydrophobicContact CD1-CD2 4.37Å; I11-L100 HydrophobicContact CG2-CD2 4.06Å; F66-L100 HydrophobicContact CE2-CD1 4.1Å; F66-L100 HydrophobicContact CZ-CD1 3.76Å; V72-L100 HydrophobicContact CB-CD2 4.49Å; L96-L100 HydrophobicContact CD1-CD1 4.12Å; L96-L100 HydrophobicContact CD1-CG 4.2Å; L96-L100 HydrophobicContact CG-CD1 4.12Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.15Å; L96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 2.83Å; L100-R103 PolarHBondContact O-N 3.03Å; L100-Y104 HydrophobicContact CD2-CD2 4.34Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 PolarHBondContact O-N 3.4Å; L100-I108 HydrophobicContact CB-CD1 4.15Å
101K98.5Very high98.4Very high1 Ų122.5 Ų22.50%0.00411%0.106CC..Hα-helixtrans-59.9-46.1174.3178.862.6-178.2177.90112.8E39 L97 L98 A99 R103 Y104 P105 I108 L110E39-K101 WeakPolarHBondContact OE1-CE 3.27Å; E39-K101 IonicContact OE1-NZ 2.97Å; E39-K101 PolarHBondContact OE1-NZ 3.22Å; L97-K101 WeakPolarHBondContact O-CB 3.49Å; L97-K101 PolarHBondContact O-N 3.13Å; L98-K101 WeakPolarHBondContact O-CB 3.3Å; L98-K101 PolarHBondContact O-N 3.32Å; A99-K101 VanDerWaalsContact C-N 3.34Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.07Å; K101-Y104 CarbonylContact O-C 3.51Å; K101-P105 PolarHBondContact NZ-O 3.37Å; K101-P105 WeakPolarHBondContact O-CA 3.36Å; K101-P105 VanDerWaalsContact O-N 3.15Å; K101-I108 HydrophobicContact CB-CG2 3.89Å; K101-I108 HydrophobicContact CD-CG2 3.9Å; K101-I108 WeakPolarHBondContact CD-O 3.49Å; K101-I108 WeakPolarHBondContact CE-O 3.36Å; K101-I108 PolarHBondContact NZ-O 3.16Å; K101-L110 HydrophobicContact CB-CD1 3.99Å; K101-L110 HydrophobicContact CG-CD1 4.4Å
102V98.4Very high98.5Very high18 Ų1822.4 Ų22.411%0.10911%0.105CC..Hα-helixtrans-66-35.8177.71750000111.3L7 L28 K31 A32 I35 L98 A99L7-V102 HydrophobicContact CD2-CB 4.2Å; L7-V102 HydrophobicContact CD2-CG1 3.7Å; L28-V102 HydrophobicContact CD1-CB 4.02Å; L28-V102 HydrophobicContact CD1-CG1 4.49Å; L28-V102 HydrophobicContact CD1-CG2 3.72Å; K31-V102 HydrophobicContact CB-CG1 3.74Å; K31-V102 HydrophobicContact CB-CG2 4.2Å; K31-V102 HydrophobicContact CD-CG1 4.09Å; A32-V102 HydrophobicContact CB-CG2 3.72Å; I35-V102 HydrophobicContact CD1-CB 4.32Å; I35-V102 HydrophobicContact CD1-CG1 4.33Å; I35-V102 HydrophobicContact CD1-CG2 4.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.47Å; A99-V102 PolarHBondContact O-N 2.99Å
103R97.9Very high98.5Very high76 Ų7622 Ų2229%0.28710%0.104SC..Hα-helixtrans-78.6-33.3-177.1-178.358.1-176.675.55.6113.7L7 D8 I11 A99 L100 K101L7-R103 HydrophobicContact CD2-CB 3.7Å; L7-R103 HydrophobicContact CD2-CG 4.4Å; L7-R103 HydrophobicContact CG-CB 4.25Å; D8-R103 WeakPolarHBondContact OD1-CD 3.47Å; D8-R103 IonicContact OD1-CZ 3.91Å; D8-R103 IonicContact OD1-NE 2.62Å; D8-R103 PolarHBondContact OD1-NE 3.24Å; D8-R103 IonicContact OD1-NH2 2.77Å; D8-R103 IonicContact OD2-NE 3.54Å; I11-R103 HydrophobicContact CD1-CB 3.57Å; I11-R103 HydrophobicContact CD1-CG 3.75Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.25Å; A99-R103 PolarHBondContact O-N 3.3Å; L100-R103 PolarHBondContact O-N 3.03Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.07Å
104Y97.9Very high98.5Very high50 Ų5022.2 Ų22.220%0.19611%0.105CC..  trans-136.163.2-174.5-53-70.7000110.6V72 P73 L100 K101 D106 R107 I108V72-Y104 HydrophobicContact CB-CD2 4.42Å; V72-Y104 HydrophobicContact CG1-CD2 3.4Å; V72-Y104 HydrophobicContact CG1-CE2 4.05Å; V72-Y104 HydrophobicContact CG1-CG 3.77Å; P73-Y104 HydrophobicContact CB-CD1 3.71Å; P73-Y104 HydrophobicContact CB-CE1 3.72Å; P73-Y104 HydrophobicContact CB-CG 4.19Å; P73-Y104 HydrophobicContact CG-CD1 4.27Å; P73-Y104 HydrophobicContact CG-CE1 3.75Å; L100-Y104 HydrophobicContact CD2-CD2 4.34Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 PolarHBondContact O-N 3.4Å; K101-Y104 CarbonylContact O-C 3.51Å; Y104-D106 PolarHBondContact O-N 3.36Å; Y104-D106 VanDerWaalsContact O-N 3.08Å; Y104-R107 PolarHBondContact O-N 3.05Å; Y104-I108 PolarHBondContact O-N 3.03Å
105P97.5Very high98.5Very high44 Ų4422.7 Ų22.729%0.28611%0.107SC..THydrogen-bonded Turntrans-57.9-29.4-171.622.5-34.2000114I35 K101I35-P105 HydrophobicContact CD1-CB 4.35Å; I35-P105 HydrophobicContact CG2-CB 4Å; K101-P105 PolarHBondContact NZ-O 3.37Å; K101-P105 WeakPolarHBondContact O-CA 3.36Å; K101-P105 VanDerWaalsContact O-N 3.15Å
106D97.1Very high98.5Very high148 Ų14822.7 Ų22.779%0.79111%0.107SC*.THydrogen-bonded Turntrans-89.3-2.8179.7-51.2-47.2000113.7Y104Y104-D106 PolarHBondContact O-N 3.36Å; Y104-D106 VanDerWaalsContact O-N 3.08Å
107R98.2Very high98.5Very high111 Ų11122.9 Ų22.942%0.41911%0.108SC..THydrogen-bonded Turntrans-111.7-15.3-175.4-54.4-64.1174.3142.2-9.9113.7V72 P73 N76 Y77 Y104V72-R107 HydrophobicContact CG1-CB 4.04Å; P73-R107 HydrophobicContact CB-CG 4.17Å; P73-R107 PolarHBondContact O-NH1 3.26Å; N76-R107 CarbonylContact C-O 3.59Å; N76-R107 VanDerWaalsContact CA-O 3.25Å; N76-R107 WeakPolarHBondContact CA-O 3.35Å; N76-R107 WeakPolarHBondContact OD1-CD 3.23Å; Y77-R107 PolarHBondContact N-O 3.21Å; Y104-R107 PolarHBondContact O-N 3.05Å
108I98.4Very high98.5Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-137.1128179.1-172.2172.4000109.6Y77 F79 L97 L100 K101 Y104 L110Y77-I108 CarbonylContact O-C 3.09Å; Y77-I108 WeakPolarHBondContact O-CA 3.37Å; F79-I108 HydrophobicContact CD2-CD1 3.98Å; F79-I108 HydrophobicContact CD2-CG1 4.03Å; F79-I108 HydrophobicContact CE2-CD1 3.74Å; F79-I108 HydrophobicContact CE2-CG1 4.11Å; L97-I108 HydrophobicContact CD2-CD1 4.13Å; L100-I108 HydrophobicContact CB-CD1 4.15Å; K101-I108 HydrophobicContact CB-CG2 3.89Å; K101-I108 HydrophobicContact CD-CG2 3.9Å; K101-I108 WeakPolarHBondContact CD-O 3.49Å; K101-I108 WeakPolarHBondContact CE-O 3.36Å; K101-I108 PolarHBondContact NZ-O 3.16Å; Y104-I108 PolarHBondContact O-N 3.03Å; I108-L110 HydrophobicContact CD1-CD2 4Å; I108-L110 HydrophobicContact CG1-CD2 3.95Å
109T98.9Very high98.4Very high12 Ų1229.8 Ų29.87%0.07414%0.138CC..EExtended strand (participates in β ladder)trans-112.7130.2174.4-59.60000108.4Q43 V45 Y77 L78 F79 I111Q43-T109 HydrophobicContact CB-CG2 4.24Å; Q43-T109 HydrophobicContact CG-CG2 3.85Å; V45-T109 HydrophobicContact CG2-CG2 4.09Å; Y77-T109 PolarHBondContact O-N 2.77Å; L78-T109 WeakPolarHBondContact CA-O 3.45Å; L78-T109 HydrophobicContact CD1-CG2 3.49Å; L78-T109 VanDerWaalsContact CD1-CG2 3.49Å; F79-T109 PolarHBondContact N-O 2.81Å; T109-I111 HydrophobicContact CG2-CG2 4.31Å
110L98.9Very high98.3Very high0 Ų031 Ų310%014%0.144CC..EExtended strand (participates in β ladder)trans-117.5114.9177.8-55.2179.5000107.3F79 F83 L97 K101 I108 L150F79-L110 HydrophobicContact CB-CD2 3.91Å; F79-L110 HydrophobicContact CD2-CD2 3.88Å; F79-L110 HydrophobicContact CG-CD2 4.15Å; F83-L110 HydrophobicContact CE1-CD2 4.46Å; F83-L110 HydrophobicContact CE2-CB 4.39Å; F83-L110 HydrophobicContact CZ-CB 4.01Å; F83-L110 HydrophobicContact CZ-CD2 4.23Å; L97-L110 HydrophobicContact CB-CD1 4.26Å; L97-L110 HydrophobicContact CB-CD2 4.26Å; K101-L110 HydrophobicContact CB-CD1 3.99Å; K101-L110 HydrophobicContact CG-CD1 4.4Å; I108-L110 HydrophobicContact CD1-CD2 4Å; I108-L110 HydrophobicContact CG1-CD2 3.95Å; L110-L150 HydrophobicContact CB-CD2 3.88Å
111I98.9Very high98.3Very high0 Ų031 Ų310%014%0.144CC..BIsolated β-bridgetrans-100.7156.3170.565.2168.5000110L78 F79 M80 G81 F83 T109 S151 A154L78-I111 HydrophobicContact CD1-CG2 4.18Å; F79-I111 WeakPolarHBondContact O-CG1 3.42Å; F79-I111 PolarHBondContact O-N 3.42Å; M80-I111 VanDerWaalsContact CA-CG1 3.49Å; M80-I111 HydrophobicContact CB-CD1 4.13Å; M80-I111 HydrophobicContact CB-CG1 4.34Å; M80-I111 HydrophobicContact CG-CD1 4.08Å; G81-I111 VanDerWaalsContact CA-O 3.23Å; G81-I111 WeakPolarHBondContact CA-O 3.44Å; G81-I111 PolarHBondContact N-O 2.9Å; F83-I111 WeakPolarHBondContact CZ-O 3.21Å; T109-I111 HydrophobicContact CG2-CG2 4.31Å; I111-S151 CarbonylContact C-O 3.6Å; I111-S151 WeakPolarHBondContact CA-O 3.4Å; I111-S151 WeakPolarHBondContact CB-O 3.39Å; I111-A154 HydrophobicContact CG2-CB 4.2Å
112R98.9Very high98.2Very high0 Ų035.9 Ų35.90%017%0.167CC..  trans-73.6133.7-175-159.3174.9-174.5166.37.9110.5E116 F147 D148 L150 S151 H164 Q184 L196R112-E116 HydrophobicContact CG-CB 3.85Å; R112-E116 PolarHBondContact NE-O 2.84Å; R112-E116 PolarHBondContact NH2-O 2.7Å; R112-F147 WeakPolarHBondContact CD-O 3.46Å; R112-F147 VanDerWaalsContact CZ-O 3.25Å; R112-F147 PolarHBondContact NE-O 2.94Å; R112-D148 IonicContact CZ-OD1 3.97Å; R112-D148 IonicContact NH1-OD1 3.81Å; R112-D148 IonicContact NH2-OD1 3.23Å; R112-D148 PolarHBondContact NH2-OD1 2.98Å; R112-L150 HydrophobicContact CB-CB 3.79Å; R112-L150 HydrophobicContact CB-CD1 4.38Å; R112-L150 HydrophobicContact CG-CB 4.19Å; R112-L150 HydrophobicContact CG-CD1 4.25Å; R112-S151 PolarHBondContact N-O 3.06Å; R112-H164 WeakPolarHBondContact O-CB 3.42Å; R112-Q184 PolarHBondContact NH1-O 3.46Å; R112-L196 HydrophobicContact CB-CD2 4.35Å; R112-L196 HydrophobicContact CG-CD1 4.38Å; R112-L196 WeakPolarHBondContact O-CD2 3.28Å
113G98.9Very high98.1Very high0 Ų039.3 Ų39.30%019%0.188CC..  trans-96.5176.9164.400000112D82 H115 E116 H164D82-G113 WeakPolarHBondContact OD1-CA 3.26Å; G113-H115 VanDerWaalsContact C-N 3.25Å; G113-H115 PolarHBondContact O-N 2.99Å; G113-E116 VanDerWaalsContact CA-OE2 3.26Å; G113-E116 WeakPolarHBondContact CA-OE2 3.34Å; G113-E116 PolarHBondContact N-OE2 3.05Å; G113-E116 PolarHBondContact O-N 3.02Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å
114N98.7Very high98Very high4 Ų439.2 Ų39.22%0.02119%0.188CC..SBendtrans-73.6-21.2177.969-66.6000112.5D82 H164 L196 W197 H238D82-N114 PolarHBondContact OD1-N 2.8Å; D82-N114 PolarHBondContact OD1-OD1 2.78Å; D82-N114 PolarHBondContact OD2-OD1 3.46Å; N114-H164 PolarHBondContact N-CD2 3.42Å; N114-H164 PolarHBondContact OD1-NE2 2.94Å; N114-L196 HydrophobicContact CB-CB 4.15Å; N114-W197 HydrophobicContact CB-CD2 3.96Å; N114-W197 HydrophobicContact CB-CG 4.31Å; N114-W197 HydrophobicContact CB-CH2 4.48Å; N114-W197 HydrophobicContact CB-CZ2 3.8Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.34Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.32Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.38Å; N114-H238 PolarHBondContact OD1-CE1 3.45Å; N114-H238 PolarHBondContact OD1-ND1 3.21Å
115H98.7Very high97.8Very high10 Ų1037 Ų375%0.04618%0.18CC..SBendtrans-78.1-16.3175-81.6-98.8000114.1H56 D82 V84 D85 G113 S117 I120 T121 Y124H56-H115 AromaticContact CE1-CD2 3.52Å; H56-H115 AromaticContact CE1-CG 3.77Å; H56-H115 AromaticContact CE1-NE2 3.71Å; D82-H115 WeakPolarHBondContact OD1-CB 3.1Å; D82-H115 IonicContact OD1-CD2 2.68Å; D82-H115 IonicContact OD1-CG 2.78Å; D82-H115 PolarHBondContact OD1-N 3.22Å; D82-H115 IonicContact OD2-CD2 3.99Å; D82-H115 PolarHBondContact OD2-CD2 3.25Å; D82-H115 IonicContact OD2-CG 2.8Å; V84-H115 HydrophobicContact CG2-CB 4.29Å; D85-H115 WeakPolarHBondContact CB-ND1 3.27Å; D85-H115 IonicContact OD2-CE1 3.78Å; D85-H115 IonicContact OD2-CG 3.15Å; D85-H115 IonicContact OD2-ND1 3.88Å; D85-H115 PolarHBondContact OD2-ND1 2.7Å; G113-H115 VanDerWaalsContact C-N 3.25Å; G113-H115 PolarHBondContact O-N 2.99Å; H115-S117 PolarHBondContact O-N 3.38Å; H115-I120 HydrophobicContact CB-CG2 4.28Å; H115-I120 VanDerWaalsContact CE1-CG2 3.48Å; H115-I120 WeakPolarHBondContact CE1-CG2 3.25Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.33Å; H115-T121 WeakPolarHBondContact O-CG2 3Å; H115-Y124 AromaticContact CE1-CG 3.99Å
116E98.8Very high97.9Very high0 Ų034.9 Ų34.90%017%0.166CC..SBendtrans-77.754.8170.9-76.773.6-131.100111.8D82 F83 V84 R112 G113 F147 L150D82-E116 PolarHBondContact N-OE2 3.39Å; F83-E116 HydrophobicContact CD2-CG 3.91Å; F83-E116 HydrophobicContact CE2-CG 4.28Å; F83-E116 PolarHBondContact N-OE1 2.89Å; V84-E116 PolarHBondContact N-OE1 2.89Å; R112-E116 HydrophobicContact CG-CB 3.85Å; R112-E116 PolarHBondContact NE-O 2.84Å; R112-E116 PolarHBondContact NH2-O 2.7Å; G113-E116 VanDerWaalsContact CA-OE2 3.26Å; G113-E116 WeakPolarHBondContact CA-OE2 3.34Å; G113-E116 PolarHBondContact N-OE2 3.05Å; G113-E116 PolarHBondContact O-N 3.02Å; E116-F147 VanDerWaalsContact C-CD2 3.42Å; E116-F147 HydrophobicContact CB-CB 3.92Å; E116-F147 HydrophobicContact CB-CD1 3.9Å; E116-F147 HydrophobicContact CB-CD2 3.82Å; E116-F147 HydrophobicContact CB-CE1 4.36Å; E116-F147 HydrophobicContact CB-CE2 4.31Å; E116-F147 HydrophobicContact CB-CG 3.62Å; E116-F147 HydrophobicContact CG-CD1 3.65Å; E116-F147 HydrophobicContact CG-CD2 4.2Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.29Å; E116-F147 HydrophobicContact CG-CG 3.91Å; E116-F147 HydrophobicContact CG-CZ 4.07Å; E116-F147 WeakPolarHBondContact O-CB 3.48Å; E116-L150 HydrophobicContact CB-CD1 4.2Å; E116-L150 HydrophobicContact CG-CD1 3.93Å
117S98.6Very high97.9Very high5 Ų530.9 Ų30.94%0.03514%0.14CC..SBendtrans-134.9142.2-176.9157.80000110.2H115 Q119 I120 T121 E185H115-S117 PolarHBondContact O-N 3.38Å; S117-Q119 VanDerWaalsContact C-N 3.31Å; S117-Q119 PolarHBondContact O-N 3.44Å; S117-Q119 PolarHBondContact OG-N 3.42Å; S117-I120 PolarHBondContact OG-N 3.47Å; S117-T121 WeakPolarHBondContact O-CB 3.29Å; S117-T121 WeakPolarHBondContact O-CG2 3.48Å; S117-T121 PolarHBondContact O-N 3.29Å; S117-T121 PolarHBondContact O-OG1 3.17Å; S117-E185 WeakPolarHBondContact CA-OE1 3.44Å; S117-E185 VanDerWaalsContact CB-OE1 3.3Å; S117-E185 WeakPolarHBondContact CB-OE1 3.31Å; S117-E185 PolarHBondContact OG-OE1 2.89Å
118R98.6Very high97.8Very high66 Ų6629.7 Ų29.725%0.24914%0.142CC..Hα-helixtrans-62.2-40.1175.4-69.2170.1-17583.4-2.4111.7T121 Q122 W140 T144 D148 E185R118-T121 PolarHBondContact O-OG1 3.17Å; R118-Q122 WeakPolarHBondContact O-CB 3.23Å; R118-Q122 VanDerWaalsContact O-CG 3.23Å; R118-Q122 WeakPolarHBondContact O-CG 3.47Å; R118-Q122 PolarHBondContact O-N 2.96Å; R118-W140 HydrophobicContact CB-CH2 4.26Å; R118-W140 HydrophobicContact CB-CZ2 3.89Å; R118-W140 HydrophobicContact CG-CH2 4.19Å; R118-W140 HydrophobicContact CG-CZ2 3.96Å; R118-T144 HydrophobicContact CG-CG2 3.85Å; R118-T144 PolarHBondContact NH2-O 3.02Å; R118-D148 IonicContact CZ-OD1 2.73Å; R118-D148 IonicContact CZ-OD2 3.11Å; R118-D148 VanDerWaalsContact CZ-OD2 3.29Å; R118-D148 IonicContact NH1-OD1 3.5Å; R118-D148 PolarHBondContact NH1-OD1 3.48Å; R118-D148 IonicContact NH1-OD2 3.82Å; R118-D148 PolarHBondContact NH1-OD2 2.8Å; R118-D148 IonicContact NH2-OD1 3.71Å; R118-D148 IonicContact NH2-OD2 3.77Å; R118-D148 PolarHBondContact NH2-OD2 2.78Å; R118-E185 VanDerWaalsContact CB-OE2 3.32Å; R118-E185 WeakPolarHBondContact CB-OE2 3.34Å; R118-E185 WeakPolarHBondContact CD-OE2 3.31Å; R118-E185 WeakPolarHBondContact CG-OE2 3.39Å; R118-E185 IonicContact CZ-OE2 2.8Å; R118-E185 PolarHBondContact N-OE1 3.05Å; R118-E185 PolarHBondContact N-OE2 2.74Å; R118-E185 VanDerWaalsContact N-OE2 3.13Å; R118-E185 IonicContact NH1-OE2 3.96Å; R118-E185 PolarHBondContact NH1-OE2 3.03Å
119Q97.3Very high97.7Very high79 Ų7930 Ų3037%0.36914%0.144SC..Hα-helixtrans-68.3-43.8-176.8-56.4-169.131.100111.6S117 E185 H188S117-Q119 VanDerWaalsContact C-N 3.31Å; S117-Q119 PolarHBondContact O-N 3.44Å; S117-Q119 PolarHBondContact OG-N 3.42Å; Q119-E185 PolarHBondContact N-OE1 3.31Å; Q119-H188 PolarHBondContact NE2-CE1 3.35Å; Q119-H188 PolarHBondContact NE2-NE2 2.86Å; Q119-H188 PolarHBondContact OE1-CE1 3.08Å
120I97.7Very high97.7Very high26 Ų2629.4 Ų29.413%0.13314%0.14CC..Hα-helixtrans-69.2-47.7-179.9-57.3-56.6000110.2H115 S117 Q122 V123 Y124 W197H115-I120 HydrophobicContact CB-CG2 4.28Å; H115-I120 VanDerWaalsContact CE1-CG2 3.48Å; H115-I120 WeakPolarHBondContact CE1-CG2 3.25Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.33Å; S117-I120 PolarHBondContact OG-N 3.47Å; I120-Q122 PolarHBondContact O-N 2.75Å; I120-Q122 VanDerWaalsContact O-N 3.15Å; I120-V123 PolarHBondContact O-N 3.11Å; I120-Y124 HydrophobicContact CB-CD2 4.4Å; I120-Y124 HydrophobicContact CD1-CE2 4.39Å; I120-Y124 HydrophobicContact CG2-CD2 3.49Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.49Å; I120-Y124 HydrophobicContact CG2-CE2 4.05Å; I120-Y124 HydrophobicContact CG2-CG 4.39Å; I120-Y124 VanDerWaalsContact O-CD2 3.31Å; I120-Y124 WeakPolarHBondContact O-CD2 3.2Å; I120-Y124 PolarHBondContact O-N 2.82Å; I120-W197 HydrophobicContact CD1-CH2 4.01Å; I120-W197 HydrophobicContact CD1-CZ2 3.79Å; I120-W197 HydrophobicContact CG1-CZ2 4.13Å
121T98.1Very high97.6Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-65.1-22.3-178.154.60000114.9V84 D85 H115 S117 R118 V123 F126 Y127 W140 F147V84-T121 HydrophobicContact CG2-CG2 3.73Å; D85-T121 WeakPolarHBondContact OD2-CA 3.48Å; H115-T121 WeakPolarHBondContact O-CG2 3Å; S117-T121 WeakPolarHBondContact O-CB 3.29Å; S117-T121 WeakPolarHBondContact O-CG2 3.48Å; S117-T121 PolarHBondContact O-N 3.29Å; S117-T121 PolarHBondContact O-OG1 3.17Å; R118-T121 PolarHBondContact O-OG1 3.17Å; T121-V123 VanDerWaalsContact C-N 3.25Å; T121-V123 PolarHBondContact O-N 3.46Å; T121-F126 HydrophobicContact CG2-CB 3.88Å; T121-F126 HydrophobicContact CG2-CD1 3.71Å; T121-F126 HydrophobicContact CG2-CG 4.23Å; T121-Y127 WeakPolarHBondContact O-CB 3.44Å; T121-Y127 PolarHBondContact O-N 2.92Å; T121-W140 PolarHBondContact OG1-NE1 2.94Å; T121-F147 HydrophobicContact CG2-CE2 4.16Å
122Q96.5Very high97.5Very high104 Ų10439.5 Ų39.549%0.48618%0.183SC..Hα-helixtrans-69.4-22172.3-82.5179.9-33.500113.4R118 I120 Y127 W140R118-Q122 WeakPolarHBondContact O-CB 3.23Å; R118-Q122 VanDerWaalsContact O-CG 3.23Å; R118-Q122 WeakPolarHBondContact O-CG 3.47Å; R118-Q122 PolarHBondContact O-N 2.96Å; I120-Q122 PolarHBondContact O-N 2.75Å; I120-Q122 VanDerWaalsContact O-N 3.15Å; Q122-Y127 HydrophobicContact CG-CD2 4.06Å; Q122-Y127 HydrophobicContact CG-CG 4.33Å; Q122-W140 HydrophobicContact CG-CH2 4.4Å; Q122-W140 HydrophobicContact CG-CZ2 3.9Å
123V95.4Very high97.4Very high90 Ų9041.3 Ų41.355%0.54519%0.191SC..Hα-helixtrans-109-35.6-174.5-178.40000111.8I120 T121I120-V123 PolarHBondContact O-N 3.11Å; T121-V123 VanDerWaalsContact C-N 3.25Å; T121-V123 PolarHBondContact O-N 3.46Å
124Y95.9Very high97.3Very high74 Ų7443.2 Ų43.229%0.2920%0.199SC..Hα-helixtrans-102.810.5-167.8-65.5-76.8000115.5D85 R86 H115 I120 Y305D85-Y124 WeakPolarHBondContact CB-O 3.11Å; D85-Y124 VanDerWaalsContact OD1-C 3.23Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.48Å; R86-Y124 PolarHBondContact N-O 3.37Å; R86-Y124 VanDerWaalsContact NH2-CE1 3.32Å; H115-Y124 AromaticContact CE1-CG 3.99Å; I120-Y124 HydrophobicContact CB-CD2 4.4Å; I120-Y124 HydrophobicContact CD1-CE2 4.39Å; I120-Y124 HydrophobicContact CG2-CD2 3.49Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.49Å; I120-Y124 HydrophobicContact CG2-CE2 4.05Å; I120-Y124 HydrophobicContact CG2-CG 4.39Å; I120-Y124 VanDerWaalsContact O-CD2 3.31Å; I120-Y124 WeakPolarHBondContact O-CD2 3.2Å; I120-Y124 PolarHBondContact O-N 2.82Å; Y124-Y305 WeakPolarHBondContact O-CD2 3.28Å; Y124-Y305 WeakPolarHBondContact O-CE2 2.96Å
125G94.8Very high97.2Very high3 Ų346.1 Ų46.13%0.03123%0.23CC..SBendtrans121.4-23.5158.100000116D85 Y127 D128 E129D85-G125 PolarHBondContact OD1-N 3.13Å; G125-Y127 PolarHBondContact O-N 3.5Å; G125-D128 PolarHBondContact O-N 3.25Å; G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.11Å; G125-E129 PolarHBondContact O-N 3.08Å
126F97.8Very high97.1Very high0 Ų047.1 Ų47.10%024%0.238CC..Hα-helixtrans-65.7-36.7-174.8-179.5-125000113.3V84 D85 V91 T121 E129 C130 W140 C143 F147V84-F126 HydrophobicContact CB-CB 4.11Å; V84-F126 HydrophobicContact CB-CD1 4.3Å; V84-F126 HydrophobicContact CB-CD2 4.08Å; V84-F126 HydrophobicContact CB-CG 3.92Å; V84-F126 HydrophobicContact CG1-CD1 4.29Å; V84-F126 HydrophobicContact CG1-CD2 4Å; V84-F126 HydrophobicContact CG1-CE1 4.28Å; V84-F126 HydrophobicContact CG1-CE2 3.96Å; V84-F126 HydrophobicContact CG1-CG 4.14Å; V84-F126 HydrophobicContact CG1-CZ 4.1Å; V84-F126 HydrophobicContact CG2-CB 4.34Å; V84-F126 HydrophobicContact CG2-CD1 4.32Å; V84-F126 HydrophobicContact CG2-CG 4.29Å; D85-F126 WeakPolarHBondContact OD1-CB 3.3Å; D85-F126 PolarHBondContact OD1-N 3.36Å; V91-F126 HydrophobicContact CG2-CD2 4.31Å; V91-F126 HydrophobicContact CG2-CE2 3.8Å; T121-F126 HydrophobicContact CG2-CB 3.88Å; T121-F126 HydrophobicContact CG2-CD1 3.71Å; T121-F126 HydrophobicContact CG2-CG 4.23Å; F126-E129 PolarHBondContact O-N 3.49Å; F126-C130 VanDerWaalsContact CE2-SG 3.58Å; F126-C130 PolarHBondContact O-N 2.91Å; F126-C130 PolarHBondContact O-SG 3.14Å; F126-W140 AromaticContact CD1-CD1 3.7Å; F126-C143 HydrophobicContact CE1-CB 3.81Å; F126-C143 HydrophobicContact CZ-CB 3.76Å; F126-F147 HydrophobicContact CD1-CE2 4.31Å; F126-F147 HydrophobicContact CD1-CZ 4.24Å; F126-F147 HydrophobicContact CE1-CE2 4.02Å; F126-F147 AromaticContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CZ-CZ 4.33Å
127Y97.9Very high97Very high64 Ų6448.9 Ų48.925%0.25125%0.249SC..Hα-helixtrans-59.1-51.5174.1177.9-87.1000111.6T121 Q122 G125 E129 C130 L131 V137 W140T121-Y127 WeakPolarHBondContact O-CB 3.44Å; T121-Y127 PolarHBondContact O-N 2.92Å; Q122-Y127 HydrophobicContact CG-CD2 4.06Å; Q122-Y127 HydrophobicContact CG-CG 4.33Å; G125-Y127 PolarHBondContact O-N 3.5Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.29Å; Y127-C130 PolarHBondContact O-N 3.35Å; Y127-L131 PolarHBondContact O-N 3.46Å; Y127-V137 HydrophobicContact CE1-CG1 4.17Å; Y127-V137 HydrophobicContact CE2-CB 4.18Å; Y127-V137 HydrophobicContact CE2-CG1 3.69Å; Y127-V137 VanDerWaalsContact CZ-CG1 3.5Å; Y127-V137 WeakPolarHBondContact OH-CG1 3.21Å; Y127-W140 AromaticContact CD2-CD2 3.58Å; Y127-W140 HydrophobicContact CD2-CD2 3.58Å; Y127-W140 AromaticContact CD2-CE2 3.69Å; Y127-W140 AromaticContact CD2-CE3 3.87Å; Y127-W140 HydrophobicContact CD2-CE3 3.87Å; Y127-W140 AromaticContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CH2 4.35Å; Y127-W140 HydrophobicContact CD2-CZ2 4.08Å; Y127-W140 HydrophobicContact CD2-CZ3 4.25Å; Y127-W140 HydrophobicContact CE2-CD2 4.19Å; Y127-W140 AromaticContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CZ3 4.17Å
128D96.3Very high97Very high86 Ų8650.5 Ų50.546%0.4626%0.258SS..Hα-helixtrans-67.3-34.6179.7-74.1-25.1000111.9G125 L131 R132G125-D128 PolarHBondContact O-N 3.25Å; D128-L131 PolarHBondContact O-N 3.37Å; D128-R132 WeakPolarHBondContact O-CB 3.24Å; D128-R132 PolarHBondContact O-N 3.45Å
129E96.6Very high97Very high6 Ų647.3 Ų47.33%0.02825%0.246CC..Hα-helixtrans-61-49.4174-167.8-172.9143.400111.2Y89 S90 V91 G125 F126 Y127 R132 K133Y89-E129 WeakPolarHBondContact CA-OE1 3.32Å; S90-E129 WeakPolarHBondContact CB-OE2 3.18Å; S90-E129 VanDerWaalsContact N-CD 3.32Å; S90-E129 PolarHBondContact N-OE1 3.03Å; S90-E129 PolarHBondContact N-OE2 2.77Å; S90-E129 PolarHBondContact OG-OE2 3.44Å; S90-E129 VanDerWaalsContact OG-OE2 3.1Å; V91-E129 WeakPolarHBondContact CB-OE1 3.36Å; V91-E129 HydrophobicContact CG2-CG 4.03Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.41Å; V91-E129 PolarHBondContact N-OE1 3.2Å; G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.11Å; G125-E129 PolarHBondContact O-N 3.08Å; F126-E129 PolarHBondContact O-N 3.49Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.29Å; E129-R132 PolarHBondContact O-N 3.37Å; E129-K133 HydrophobicContact CG-CD 3.93Å; E129-K133 HydrophobicContact CG-CG 4.48Å; E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.81Å; E129-K133 WeakPolarHBondContact OE1-CE 3.08Å; E129-K133 IonicContact OE1-NZ 3.39Å; E129-K133 PolarHBondContact OE1-NZ 2.9Å
130C97.7Very high97Very high0 Ų044.5 Ų44.50%023%0.232CC..Hα-helixtrans-59.7-48.8176.6-71.70000111.5F126 Y127 R132 K133 Y134 W140F126-C130 VanDerWaalsContact CE2-SG 3.58Å; F126-C130 PolarHBondContact O-N 2.91Å; F126-C130 PolarHBondContact O-SG 3.14Å; Y127-C130 PolarHBondContact O-N 3.35Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 3.29Å; C130-K133 PolarHBondContact O-N 2.93Å; C130-Y134 PolarHBondContact O-N 2.87Å; C130-W140 HydrophobicContact CB-CB 3.75Å
131L97Very high97.1Very high71 Ų7151.1 Ų51.137%0.37226%0.256SS..Hα-helixtrans-58.3-44.7179.1177.659000111.5Y127 D128 G135 V137Y127-L131 PolarHBondContact O-N 3.46Å; D128-L131 PolarHBondContact O-N 3.37Å; L131-G135 WeakPolarHBondContact O-CA 3.5Å; L131-G135 PolarHBondContact O-N 2.8Å; L131-V137 HydrophobicContact CB-CG1 4.34Å; L131-V137 HydrophobicContact CD1-CG1 4.14Å
132R96.7Very high97.1Very high142 Ų14253.3 Ų53.354%0.53626%0.264SS..Hα-helixtrans-66.6-41.5179178179.857.280.7-5.7112.7D128 E129 C130D128-R132 WeakPolarHBondContact O-CB 3.24Å; D128-R132 PolarHBondContact O-N 3.45Å; E129-R132 PolarHBondContact O-N 3.37Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 3.29Å
133K96.7Very high97.2Very high37 Ų3748.4 Ų48.416%0.16124%0.241CC..Hα-helixtrans-80.1-35.5-173.4-75.5-174.6-178.4176.30113.2L19 F88 V91 E92 E129 C130L19-K133 HydrophobicContact CD1-CB 3.74Å; L19-K133 HydrophobicContact CD1-CD 4.16Å; L19-K133 HydrophobicContact CD1-CG 4.14Å; L19-K133 HydrophobicContact CD2-CD 4.13Å; F88-K133 PolarHBondContact O-NZ 2.85Å; V91-K133 HydrophobicContact CB-CD 4.16Å; V91-K133 HydrophobicContact CG1-CD 4.49Å; V91-K133 HydrophobicContact CG2-CD 4.21Å; E92-K133 WeakPolarHBondContact OE1-CE 3.49Å; E92-K133 IonicContact OE1-NZ 3.5Å; E92-K133 PolarHBondContact OE1-NZ 2.98Å; E92-K133 IonicContact OE2-NZ 3.75Å; E92-K133 PolarHBondContact OE2-NZ 3.22Å; E129-K133 HydrophobicContact CG-CD 3.93Å; E129-K133 HydrophobicContact CG-CG 4.48Å; E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.81Å; E129-K133 WeakPolarHBondContact OE1-CE 3.08Å; E129-K133 IonicContact OE1-NZ 3.39Å; E129-K133 PolarHBondContact OE1-NZ 2.9Å; C130-K133 PolarHBondContact O-N 2.93Å
134Y97.5Very high97.4Very high40 Ų4044.2 Ų44.216%0.15722%0.216CC..Hα-helixtrans-106.8-8.8-177.7-72.8-82.7000114.3L19 I20 E22 V25 V91 C130 S136 V139L19-Y134 HydrophobicContact CD2-CE2 4.31Å; I20-Y134 VanDerWaalsContact O-CE1 3.25Å; I20-Y134 WeakPolarHBondContact O-CE1 3.17Å; I20-Y134 PolarHBondContact O-OH 3.36Å; E22-Y134 HydrophobicContact CB-CD1 4.34Å; V25-Y134 HydrophobicContact CG2-CE1 4.42Å; V91-Y134 HydrophobicContact CG1-CE2 3.69Å; C130-Y134 PolarHBondContact O-N 2.87Å; Y134-S136 PolarHBondContact O-N 2.88Å; Y134-V139 HydrophobicContact CD1-CG2 3.71Å; Y134-V139 HydrophobicContact CD2-CB 3.78Å; Y134-V139 HydrophobicContact CD2-CG1 3.92Å; Y134-V139 HydrophobicContact CD2-CG2 3.61Å; Y134-V139 HydrophobicContact CE1-CG2 3.9Å; Y134-V139 HydrophobicContact CE2-CB 4.05Å; Y134-V139 HydrophobicContact CE2-CG1 3.73Å; Y134-V139 HydrophobicContact CE2-CG2 3.79Å; Y134-V139 HydrophobicContact CG-CB 4.15Å; Y134-V139 HydrophobicContact CG-CG2 3.56Å
135G96.7Very high97.5Very high66 Ų6644 Ų4468%0.6822%0.218SC*.SBendtrans72.74.2-175.600000113.9L131L131-G135 WeakPolarHBondContact O-CA 3.5Å; L131-G135 PolarHBondContact O-N 2.8Å
136S95.7Very high97.7Very high31 Ų3144 Ų4422%0.21722%0.217CC..SBendtrans-151.7162.7178.486.70000110.7E22 Y134 T138E22-S136 PolarHBondContact OE2-OG 2.58Å; Y134-S136 PolarHBondContact O-N 2.88Å; S136-T138 PolarHBondContact O-N 2.83Å; S136-T138 WeakPolarHBondContact OG-CB 3.4Å; S136-T138 PolarHBondContact OG-N 3.22Å; S136-T138 PolarHBondContact OG-OG1 3.13Å; S136-T138 VanDerWaalsContact OG-OG1 3.11Å
137V96.9Very high97.8Very high36 Ų3644 Ų4422%0.21822%0.217CC..SBendtrans-86.77.2175.7-58.70000113Y127 L131 V139 W140 R141Y127-V137 HydrophobicContact CE1-CG1 4.17Å; Y127-V137 HydrophobicContact CE2-CB 4.18Å; Y127-V137 HydrophobicContact CE2-CG1 3.69Å; Y127-V137 VanDerWaalsContact CZ-CG1 3.5Å; Y127-V137 WeakPolarHBondContact OH-CG1 3.21Å; L131-V137 HydrophobicContact CB-CG1 4.34Å; L131-V137 HydrophobicContact CD1-CG1 4.14Å; V137-V139 PolarHBondContact O-N 3.26Å; V137-W140 PolarHBondContact O-N 2.93Å; V137-R141 PolarHBondContact O-N 2.9Å
138T98.5Very high97.8Very high39 Ų3941.6 Ų41.624%0.23921%0.208CC..Hα-helixtrans-64.7-40.1-174.2-560000111.7E22 S136 R141 Y142E22-T138 HydrophobicContact CG-CG2 4.39Å; E22-T138 VanDerWaalsContact OE1-CG2 3.28Å; E22-T138 WeakPolarHBondContact OE1-CG2 3.18Å; S136-T138 PolarHBondContact O-N 2.83Å; S136-T138 WeakPolarHBondContact OG-CB 3.4Å; S136-T138 PolarHBondContact OG-N 3.22Å; S136-T138 PolarHBondContact OG-OG1 3.13Å; S136-T138 VanDerWaalsContact OG-OG1 3.11Å; T138-R141 WeakPolarHBondContact O-CB 3.05Å; T138-R141 PolarHBondContact O-N 3.06Å; T138-Y142 HydrophobicContact CG2-CD2 4.25Å; T138-Y142 HydrophobicContact CG2-CE1 4.15Å; T138-Y142 HydrophobicContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CZ 3.41Å; T138-Y142 WeakPolarHBondContact CG2-OH 3.25Å; T138-Y142 WeakPolarHBondContact O-CD2 3.35Å; T138-Y142 PolarHBondContact O-N 2.84Å
139V98.6Very high97.9Very high0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-64.2-42.6175167.10000112E22 V25 Y134 V137 R141 Y142 C143E22-V139 HydrophobicContact CB-CG2 4.44Å; E22-V139 HydrophobicContact CG-CG2 4.03Å; V25-V139 HydrophobicContact CB-CG2 4.33Å; V25-V139 HydrophobicContact CG1-CG1 4.09Å; V25-V139 HydrophobicContact CG1-CG2 4.24Å; V25-V139 HydrophobicContact CG2-CG2 4.26Å; Y134-V139 HydrophobicContact CD1-CG2 3.71Å; Y134-V139 HydrophobicContact CD2-CB 3.78Å; Y134-V139 HydrophobicContact CD2-CG1 3.92Å; Y134-V139 HydrophobicContact CD2-CG2 3.61Å; Y134-V139 HydrophobicContact CE1-CG2 3.9Å; Y134-V139 HydrophobicContact CE2-CB 4.05Å; Y134-V139 HydrophobicContact CE2-CG1 3.73Å; Y134-V139 HydrophobicContact CE2-CG2 3.79Å; Y134-V139 HydrophobicContact CG-CB 4.15Å; Y134-V139 HydrophobicContact CG-CG2 3.56Å; V137-V139 PolarHBondContact O-N 3.26Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 3.25Å; V139-Y142 PolarHBondContact O-N 3.22Å; V139-Y142 VanDerWaalsContact O-N 3.13Å; V139-C143 PolarHBondContact O-N 2.83Å; V139-C143 PolarHBondContact O-SG 2.91Å; V139-C143 VanDerWaalsContact O-SG 3.37Å
140W98.7Very high98Very high20 Ų2039.5 Ų39.58%0.07619%0.194CC..Hα-helixtrans-58.1-40.3174.617281.9000111.7R118 T121 Q122 F126 Y127 C130 V137 C143 T144R118-W140 HydrophobicContact CB-CH2 4.26Å; R118-W140 HydrophobicContact CB-CZ2 3.89Å; R118-W140 HydrophobicContact CG-CH2 4.19Å; R118-W140 HydrophobicContact CG-CZ2 3.96Å; T121-W140 PolarHBondContact OG1-NE1 2.94Å; Q122-W140 HydrophobicContact CG-CH2 4.4Å; Q122-W140 HydrophobicContact CG-CZ2 3.9Å; F126-W140 AromaticContact CD1-CD1 3.7Å; Y127-W140 AromaticContact CD2-CD2 3.58Å; Y127-W140 HydrophobicContact CD2-CD2 3.58Å; Y127-W140 AromaticContact CD2-CE2 3.69Å; Y127-W140 AromaticContact CD2-CE3 3.87Å; Y127-W140 HydrophobicContact CD2-CE3 3.87Å; Y127-W140 AromaticContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CH2 4.35Å; Y127-W140 HydrophobicContact CD2-CZ2 4.08Å; Y127-W140 HydrophobicContact CD2-CZ3 4.25Å; Y127-W140 HydrophobicContact CE2-CD2 4.19Å; Y127-W140 AromaticContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CZ3 4.17Å; C130-W140 HydrophobicContact CB-CB 3.75Å; V137-W140 PolarHBondContact O-N 2.93Å; W140-C143 PolarHBondContact O-N 2.97Å; W140-T144 HydrophobicContact CD2-CG2 4.2Å; W140-T144 HydrophobicContact CG-CG2 4.36Å; W140-T144 HydrophobicContact CZ2-CG2 4.08Å; W140-T144 WeakPolarHBondContact O-CB 3.37Å; W140-T144 WeakPolarHBondContact O-CG2 3.48Å; W140-T144 PolarHBondContact O-N 2.74Å; W140-T144 PolarHBondContact O-OG1 2.82Å
141R98.7Very high98.1Very high164 Ų16439.5 Ų39.562%0.61919%0.194SC*.Hα-helixtrans-62.5-43.9174.9-73.4179152.5-177-7.2112.6V137 T138 V139 T144 E145V137-R141 PolarHBondContact O-N 2.9Å; T138-R141 WeakPolarHBondContact O-CB 3.05Å; T138-R141 PolarHBondContact O-N 3.06Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 3.25Å; R141-T144 PolarHBondContact O-OG1 3.45Å; R141-E145 WeakPolarHBondContact O-CB 3.13Å; R141-E145 PolarHBondContact O-N 2.95Å
142Y98.7Very high98.1Very high47 Ų4736.1 Ų36.118%0.18418%0.177CC..Hα-helixtrans-63.2-47.2176.9-61.6-34.8000111.6E22 V25 K26 T138 V139 E145 I146E22-Y142 HydrophobicContact CG-CE2 4.21Å; V25-Y142 HydrophobicContact CG1-CD2 4.23Å; K26-Y142 HydrophobicContact CB-CD2 4.09Å; K26-Y142 HydrophobicContact CB-CE2 3.62Å; K26-Y142 HydrophobicContact CD-CE1 4.42Å; K26-Y142 HydrophobicContact CD-CE2 4.44Å; K26-Y142 HydrophobicContact CG-CE1 4.07Å; K26-Y142 HydrophobicContact CG-CE2 4.01Å; T138-Y142 HydrophobicContact CG2-CD2 4.25Å; T138-Y142 HydrophobicContact CG2-CE1 4.15Å; T138-Y142 HydrophobicContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CZ 3.41Å; T138-Y142 WeakPolarHBondContact CG2-OH 3.25Å; T138-Y142 WeakPolarHBondContact O-CD2 3.35Å; T138-Y142 PolarHBondContact O-N 2.84Å; V139-Y142 PolarHBondContact O-N 3.22Å; V139-Y142 VanDerWaalsContact O-N 3.13Å; Y142-E145 PolarHBondContact O-N 3.27Å; Y142-I146 WeakPolarHBondContact O-CG1 3.47Å; Y142-I146 PolarHBondContact O-N 2.95Å
143C98.8Very high98.3Very high1 Ų129.4 Ų29.41%0.00715%0.151CC..Hα-helixtrans-64.2-44.5-180-63.40000112.1F94 F126 V139 W140 E145 I146 F147F94-C143 HydrophobicContact CD1-CB 3.98Å; F94-C143 HydrophobicContact CE1-CB 3.8Å; F126-C143 HydrophobicContact CE1-CB 3.81Å; F126-C143 HydrophobicContact CZ-CB 3.76Å; V139-C143 PolarHBondContact O-N 2.83Å; V139-C143 PolarHBondContact O-SG 2.91Å; V139-C143 VanDerWaalsContact O-SG 3.37Å; W140-C143 PolarHBondContact O-N 2.97Å; C143-E145 VanDerWaalsContact C-N 3.31Å; C143-E145 PolarHBondContact O-N 3.06Å; C143-I146 WeakPolarHBondContact O-CA 3.47Å; C143-I146 WeakPolarHBondContact O-CB 3.4Å; C143-I146 PolarHBondContact O-N 3.37Å; C143-F147 HydrophobicContact CB-CE1 4.32Å; C143-F147 HydrophobicContact CB-CZ 4.2Å; C143-F147 WeakPolarHBondContact O-CD1 3.37Å; C143-F147 WeakPolarHBondContact O-CG 3.44Å; C143-F147 PolarHBondContact O-N 2.8Å
144T98.7Very high98.4Very high2 Ų227.6 Ų27.61%0.01214%0.143CC..Hα-helixtrans-68.2-27.5178.852.30000113.8R118 W140 R141 I146 F147R118-T144 HydrophobicContact CG-CG2 3.85Å; R118-T144 PolarHBondContact NH2-O 3.02Å; W140-T144 HydrophobicContact CD2-CG2 4.2Å; W140-T144 HydrophobicContact CG-CG2 4.36Å; W140-T144 HydrophobicContact CZ2-CG2 4.08Å; W140-T144 WeakPolarHBondContact O-CB 3.37Å; W140-T144 WeakPolarHBondContact O-CG2 3.48Å; W140-T144 PolarHBondContact O-N 2.74Å; W140-T144 PolarHBondContact O-OG1 2.82Å; R141-T144 PolarHBondContact O-OG1 3.45Å; T144-I146 VanDerWaalsContact C-N 3.33Å; T144-F147 HydrophobicContact CG2-CD2 3.78Å; T144-F147 HydrophobicContact CG2-CE2 3.73Å; T144-F147 PolarHBondContact O-N 2.81Å
145E98.5Very high98.4Very high70 Ų7026.2 Ų26.233%0.32714%0.139SC..Hα-helixtrans-63.8-40.5167.8-171.1-176.2152.100111.1R33 R141 Y142 C143 F147 D148 Y149R33-E145 IonicContact CZ-OE1 2.72Å; R33-E145 IonicContact NH1-OE1 3.29Å; R33-E145 PolarHBondContact NH1-OE1 3.37Å; R141-E145 WeakPolarHBondContact O-CB 3.13Å; R141-E145 PolarHBondContact O-N 2.95Å; Y142-E145 PolarHBondContact O-N 3.27Å; C143-E145 VanDerWaalsContact C-N 3.31Å; C143-E145 PolarHBondContact O-N 3.06Å; E145-F147 VanDerWaalsContact C-N 3.35Å; E145-D148 PolarHBondContact O-N 2.89Å; E145-Y149 HydrophobicContact CG-CE2 4.46Å; E145-Y149 WeakPolarHBondContact O-CD2 3.34Å
146I98.8Very high98.5Very high2 Ų223.1 Ų23.11%0.0111%0.106CC..Hα-helixtrans-67.8-34.4177-62.7-53.9000112.6C29 A32 R33 L36 F94 L98 Y142 C143 T144 D148 Y149 L150C29-I146 HydrophobicContact CB-CD1 3.86Å; C29-I146 HydrophobicContact CB-CG1 3.64Å; C29-I146 WeakPolarHBondContact O-CD1 3.38Å; A32-I146 HydrophobicContact CB-CD1 4.38Å; R33-I146 HydrophobicContact CB-CD1 3.87Å; L36-I146 HydrophobicContact CD1-CG2 3.74Å; F94-I146 HydrophobicContact CZ-CB 4.45Å; F94-I146 HydrophobicContact CZ-CG2 3.99Å; L98-I146 HydrophobicContact CD1-CG2 3.82Å; L98-I146 HydrophobicContact CD2-CG2 4.3Å; Y142-I146 WeakPolarHBondContact O-CG1 3.47Å; Y142-I146 PolarHBondContact O-N 2.95Å; C143-I146 WeakPolarHBondContact O-CA 3.47Å; C143-I146 WeakPolarHBondContact O-CB 3.4Å; C143-I146 PolarHBondContact O-N 3.37Å; T144-I146 VanDerWaalsContact C-N 3.33Å; I146-D148 PolarHBondContact O-N 3.15Å; I146-D148 VanDerWaalsContact O-N 3.16Å; I146-Y149 PolarHBondContact O-N 3.27Å; I146-L150 PolarHBondContact O-N 3.5Å
147F98.8Very high98.6Very high0 Ų024.3 Ų24.30%011%0.11CC..Hα-helixtrans-54.5-34.8176.5-63.4-13.9000112.6V84 F94 R112 E116 T121 F126 C143 T144 E145 Y149 L150V84-F147 HydrophobicContact CG1-CZ 4.04Å; V84-F147 HydrophobicContact CG2-CE2 4.48Å; V84-F147 HydrophobicContact CG2-CZ 4.24Å; F94-F147 AromaticContact CD1-CE1 3.91Å; F94-F147 HydrophobicContact CD1-CE1 3.91Å; F94-F147 AromaticContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CE1-CD1 4.19Å; F94-F147 AromaticContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CZ 4.43Å; F94-F147 HydrophobicContact CE2-CD1 4.06Å; F94-F147 AromaticContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CG-CE1 4.12Å; F94-F147 AromaticContact CZ-CD1 3.71Å; F94-F147 HydrophobicContact CZ-CD1 3.71Å; F94-F147 AromaticContact CZ-CE1 3.38Å; F94-F147 HydrophobicContact CZ-CE1 3.38Å; R112-F147 WeakPolarHBondContact CD-O 3.46Å; R112-F147 VanDerWaalsContact CZ-O 3.25Å; R112-F147 PolarHBondContact NE-O 2.94Å; E116-F147 VanDerWaalsContact C-CD2 3.42Å; E116-F147 HydrophobicContact CB-CB 3.92Å; E116-F147 HydrophobicContact CB-CD1 3.9Å; E116-F147 HydrophobicContact CB-CD2 3.82Å; E116-F147 HydrophobicContact CB-CE1 4.36Å; E116-F147 HydrophobicContact CB-CE2 4.31Å; E116-F147 HydrophobicContact CB-CG 3.62Å; E116-F147 HydrophobicContact CG-CD1 3.65Å; E116-F147 HydrophobicContact CG-CD2 4.2Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.29Å; E116-F147 HydrophobicContact CG-CG 3.91Å; E116-F147 HydrophobicContact CG-CZ 4.07Å; E116-F147 WeakPolarHBondContact O-CB 3.48Å; T121-F147 HydrophobicContact CG2-CE2 4.16Å; F126-F147 HydrophobicContact CD1-CE2 4.31Å; F126-F147 HydrophobicContact CD1-CZ 4.24Å; F126-F147 HydrophobicContact CE1-CE2 4.02Å; F126-F147 AromaticContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CZ-CZ 4.33Å; C143-F147 HydrophobicContact CB-CE1 4.32Å; C143-F147 HydrophobicContact CB-CZ 4.2Å; C143-F147 WeakPolarHBondContact O-CD1 3.37Å; C143-F147 WeakPolarHBondContact O-CG 3.44Å; C143-F147 PolarHBondContact O-N 2.8Å; T144-F147 HydrophobicContact CG2-CD2 3.78Å; T144-F147 HydrophobicContact CG2-CE2 3.73Å; T144-F147 PolarHBondContact O-N 2.81Å; E145-F147 VanDerWaalsContact C-N 3.35Å; F147-Y149 PolarHBondContact O-N 2.97Å; F147-L150 HydrophobicContact CD1-CD1 4.2Å; F147-L150 PolarHBondContact O-N 3.23Å
148D98.8Very high98.7Very high14 Ų1424.6 Ų24.68%0.07512%0.12CC..THydrogen-bonded Turntrans-66.9-19178.3-58.2-23.1000113.3R112 R118 E145 I146 R182 K183 Q184R112-D148 IonicContact CZ-OD1 3.97Å; R112-D148 IonicContact NH1-OD1 3.81Å; R112-D148 IonicContact NH2-OD1 3.23Å; R112-D148 PolarHBondContact NH2-OD1 2.98Å; R118-D148 IonicContact CZ-OD1 2.73Å; R118-D148 IonicContact CZ-OD2 3.11Å; R118-D148 VanDerWaalsContact CZ-OD2 3.29Å; R118-D148 IonicContact NH1-OD1 3.5Å; R118-D148 PolarHBondContact NH1-OD1 3.48Å; R118-D148 IonicContact NH1-OD2 3.82Å; R118-D148 PolarHBondContact NH1-OD2 2.8Å; R118-D148 IonicContact NH2-OD1 3.71Å; R118-D148 IonicContact NH2-OD2 3.77Å; R118-D148 PolarHBondContact NH2-OD2 2.78Å; E145-D148 PolarHBondContact O-N 2.89Å; I146-D148 PolarHBondContact O-N 3.15Å; I146-D148 VanDerWaalsContact O-N 3.16Å; D148-R182 CarbonylContact O-C 3.49Å; D148-K183 WeakPolarHBondContact O-CA 3.25Å; D148-Q184 VanDerWaalsContact OD1-O 3.07Å
149Y98.7Very high98.7Very high48 Ų4825.3 Ų25.319%0.18812%0.12CC..THydrogen-bonded Turntrans-96.1-14.2179.7-67.8-98.7000113.4R33 V37 E145 I146 F147 S151 R182 K183R33-Y149 HydrophobicContact CG-CD1 3.94Å; R33-Y149 HydrophobicContact CG-CD2 4.1Å; R33-Y149 HydrophobicContact CG-CE1 3.68Å; R33-Y149 HydrophobicContact CG-CE2 3.87Å; R33-Y149 HydrophobicContact CG-CG 4.15Å; V37-Y149 HydrophobicContact CB-CD1 4.05Å; V37-Y149 HydrophobicContact CB-CE1 4.21Å; V37-Y149 HydrophobicContact CG2-CD1 4.28Å; V37-Y149 HydrophobicContact CG2-CE1 4.09Å; E145-Y149 HydrophobicContact CG-CE2 4.46Å; E145-Y149 WeakPolarHBondContact O-CD2 3.34Å; I146-Y149 PolarHBondContact O-N 3.27Å; F147-Y149 PolarHBondContact O-N 2.97Å; Y149-S151 PolarHBondContact O-N 3.11Å; Y149-R182 PolarHBondContact O-NE 3.47Å; Y149-R182 PolarHBondContact O-NH2 3.33Å; Y149-K183 HydrophobicContact CD1-CG 4.45Å; Y149-K183 HydrophobicContact CE1-CD 4.21Å; Y149-K183 HydrophobicContact CE1-CG 4.41Å
150L98.8Very high98.7Very high0 Ų025.5 Ų25.50%012%0.121CC..SBendtrans-59.8132.6178.1-68.2173.9000110.9L36 F83 L110 R112 E116 I146 F147 R182L36-L150 HydrophobicContact CD1-CD2 4.11Å; L36-L150 HydrophobicContact CD2-CD2 4.38Å; F83-L150 HydrophobicContact CE2-CD1 3.97Å; L110-L150 HydrophobicContact CB-CD2 3.88Å; R112-L150 HydrophobicContact CB-CB 3.79Å; R112-L150 HydrophobicContact CB-CD1 4.38Å; R112-L150 HydrophobicContact CG-CB 4.19Å; R112-L150 HydrophobicContact CG-CD1 4.25Å; E116-L150 HydrophobicContact CB-CD1 4.2Å; E116-L150 HydrophobicContact CG-CD1 3.93Å; I146-L150 PolarHBondContact O-N 3.5Å; F147-L150 HydrophobicContact CD1-CD1 4.2Å; F147-L150 PolarHBondContact O-N 3.23Å; L150-R182 WeakPolarHBondContact O-CD 3.44Å
151S98.7Very high98.7Very high0 Ų024.5 Ų24.50%012%0.117CC..BIsolated β-bridgetrans-57.7146.2176.6-62.30000110.9E39 S40 I111 R112 Y149E39-S151 WeakPolarHBondContact CB-OG 3.41Å; E39-S151 PolarHBondContact OE2-OG 3.39Å; E39-S151 VanDerWaalsContact OE2-OG 3.08Å; S40-S151 WeakPolarHBondContact O-CB 3.36Å; S40-S151 PolarHBondContact O-OG 2.78Å; S40-S151 VanDerWaalsContact O-OG 3.07Å; I111-S151 CarbonylContact C-O 3.6Å; I111-S151 WeakPolarHBondContact CA-O 3.4Å; I111-S151 WeakPolarHBondContact CB-O 3.39Å; R112-S151 PolarHBondContact N-O 3.06Å; Y149-S151 PolarHBondContact O-N 3.11Å
152L98.9Very high98.7Very high0 Ų016.7 Ų16.70%09%0.088CC..SBendtrans-81.8-26.2-175.5-61.6-179.1000112.7N41 I177 I180 R182 M192 L195N41-L152 HydrophobicContact CB-CB 4.45Å; N41-L152 HydrophobicContact CB-CD1 4.37Å; N41-L152 HydrophobicContact CB-CG 4.41Å; N41-L152 PolarHBondContact O-N 2.85Å; N41-L152 VanDerWaalsContact O-N 3.15Å; L152-I177 HydrophobicContact CB-CG2 4.45Å; L152-I180 HydrophobicContact CD1-CB 4.04Å; L152-I180 HydrophobicContact CD1-CD1 4.01Å; L152-I180 HydrophobicContact CD1-CG2 3.77Å; L152-R182 HydrophobicContact CD1-CB 4.04Å; L152-R182 HydrophobicContact CD2-CB 4.03Å; L152-R182 HydrophobicContact CG-CB 3.96Å; L152-M192 HydrophobicContact CD1-CG 4.25Å; L152-M192 HydrophobicContact CD2-CE 3.99Å; L152-M192 HydrophobicContact CD2-CG 4.06Å; L152-M192 HydrophobicContact CD2-SD 4.42Å; L152-L195 HydrophobicContact CB-CD1 4.32Å; L152-L195 HydrophobicContact CD1-CD1 4.22Å
153S98.9Very high98.7Very high0 Ų014.5 Ų14.50%08%0.079CC..EExtended strand (participates in β ladder)trans-158.6170.9-177.863.70000110.5N41 V42 Q43 F161 C162N41-S153 PolarHBondContact O-N 2.9Å; N41-S153 PolarHBondContact O-OG 2.96Å; N41-S153 VanDerWaalsContact O-OG 3.12Å; V42-S153 WeakPolarHBondContact CA-O 3.42Å; Q43-S153 PolarHBondContact N-O 2.86Å; S153-F161 VanDerWaalsContact CB-CE2 3.44Å; S153-F161 WeakPolarHBondContact OG-CE2 3.44Å; S153-C162 CarbonylContact C-O 3.44Å; S153-C162 WeakPolarHBondContact CA-O 3.1Å; S153-C162 WeakPolarHBondContact CB-O 3.38Å
154A98.9Very high98.7Very high0 Ų014.4 Ų14.40%08%0.079CC..EExtended strand (participates in β ladder)trans-132163.5171.400000111.3Q43 V45 L78 I111 C162Q43-A154 HydrophobicContact CB-CB 4.46Å; Q43-A154 CarbonylContact O-C 3.55Å; Q43-A154 WeakPolarHBondContact O-CA 3.43Å; Q43-A154 WeakPolarHBondContact O-CB 3.17Å; V45-A154 HydrophobicContact CG2-CB 4.08Å; L78-A154 HydrophobicContact CD1-CB 3.66Å; L78-A154 HydrophobicContact CD2-CB 4.05Å; I111-A154 HydrophobicContact CG2-CB 4.2Å; A154-C162 HydrophobicContact CB-CB 4.16Å; A154-C162 PolarHBondContact N-O 3.44Å; A154-C162 PolarHBondContact O-N 3.18Å
155I98.8Very high98.7Very high11 Ų1114.3 Ų14.36%0.0568%0.078CC..EExtended strand (participates in β ladder)trans-132.1115173.5-177.558000108.6V42 Q43 V45 I160 I231V42-I155 HydrophobicContact CG1-CB 3.94Å; V42-I155 HydrophobicContact CG1-CG2 3.78Å; Q43-I155 PolarHBondContact O-N 2.81Å; V45-I155 PolarHBondContact N-O 3.23Å; I155-I160 WeakPolarHBondContact CA-O 3.37Å; I155-I160 WeakPolarHBondContact CD1-O 3.46Å; I155-I231 HydrophobicContact CD1-CD1 3.24Å; I155-I231 HydrophobicContact CG1-CD1 4.41Å
156I98.8Very high98.7Very high0 Ų011 Ų110%06%0.062CC..EExtended strand (participates in β ladder)trans-90.6121.2179.9-51.7169.8000108.5V45 V49 V51 L78 G158 K159 I160 C162 L275 L279V45-I156 HydrophobicContact CB-CG1 4.17Å; V45-I156 HydrophobicContact CG1-CG1 4.34Å; V45-I156 VanDerWaalsContact O-CA 3.27Å; V45-I156 WeakPolarHBondContact O-CA 3.44Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.35Å; V49-I156 HydrophobicContact CG1-CG2 3.82Å; V51-I156 HydrophobicContact CG2-CD1 3.61Å; L78-I156 HydrophobicContact CD2-CD1 3.94Å; L78-I156 HydrophobicContact CD2-CG1 4.27Å; I156-G158 PolarHBondContact O-N 2.73Å; I156-K159 PolarHBondContact O-N 2.82Å; I156-I160 HydrophobicContact CB-CB 4.19Å; I156-I160 HydrophobicContact CD1-CG2 4.44Å; I156-I160 PolarHBondContact N-O 3.15Å; I156-I160 PolarHBondContact O-N 3.44Å; I156-I160 VanDerWaalsContact O-N 3.08Å; I156-C162 VanDerWaalsContact CD1-SG 3.53Å; I156-L275 HydrophobicContact CD1-CD1 3.61Å; I156-L275 HydrophobicContact CG2-CD1 4.17Å; I156-L279 HydrophobicContact CG2-CD2 4.07Å
157D98.2Very high98.7Very high57 Ų5711 Ų1131%0.3056%0.063SC..THydrogen-bonded Turntrans50.325179.7-69.5-12.3000114.9V45 D46 S47 K159 L279V45-D157 PolarHBondContact O-N 3Å; D46-D157 VanDerWaalsContact CA-OD1 3.28Å; D46-D157 WeakPolarHBondContact CA-OD1 3.36Å; S47-D157 WeakPolarHBondContact CB-OD2 3.45Å; S47-D157 PolarHBondContact N-OD1 3.22Å; S47-D157 PolarHBondContact OG-OD2 2.79Å; D157-K159 PolarHBondContact O-N 2.93Å; D157-L279 HydrophobicContact CB-CD1 4Å; D157-L279 HydrophobicContact CB-CD2 4.17Å; D157-L279 HydrophobicContact CB-CG 4.44Å; D157-L279 VanDerWaalsContact OD2-CD2 3.32Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.19Å
158G97.7Very high98.7Very high41 Ų4111.1 Ų11.142%0.4236%0.063SC..THydrogen-bonded Turntrans71.44.9-175.100000114.7I156I156-G158 PolarHBondContact O-N 2.73Å
159K98.2Very high98.7Very high55 Ų5512.7 Ų12.724%0.2397%0.074CC..THydrogen-bonded Turntrans-123.2-27.8-169.2-69.2-59.3-179.3-174.50116.1I156 D157 D230 I231 D232 L279I156-K159 PolarHBondContact O-N 2.82Å; D157-K159 PolarHBondContact O-N 2.93Å; K159-D230 PolarHBondContact NZ-O 3.48Å; K159-D230 IonicContact NZ-OD1 3.71Å; K159-D230 PolarHBondContact NZ-OD1 3.27Å; K159-D230 VanDerWaalsContact NZ-OD1 3.14Å; K159-D230 IonicContact NZ-OD2 2.8Å; K159-D230 PolarHBondContact NZ-OD2 3.38Å; K159-I231 WeakPolarHBondContact O-CG2 3.38Å; K159-D232 PolarHBondContact O-N 2.89Å; K159-L279 HydrophobicContact CB-CD1 4.03Å; K159-L279 HydrophobicContact CG-CD1 4.45Å
160I98.8Very high98.6Very high3 Ų313.6 Ų13.62%0.0159%0.088CC..EExtended strand (participates in β ladder)trans-115.9109.4179.5-58173.8000109I155 I156 M233 C235 L275 L279I155-I160 WeakPolarHBondContact CA-O 3.37Å; I155-I160 WeakPolarHBondContact CD1-O 3.46Å; I156-I160 HydrophobicContact CB-CB 4.19Å; I156-I160 HydrophobicContact CD1-CG2 4.44Å; I156-I160 PolarHBondContact N-O 3.15Å; I156-I160 PolarHBondContact O-N 3.44Å; I156-I160 VanDerWaalsContact O-N 3.08Å; I160-M233 WeakPolarHBondContact CA-O 3.24Å; I160-M233 HydrophobicContact CB-CG 4.36Å; I160-M233 HydrophobicContact CD1-CG 4.42Å; I160-M233 HydrophobicContact CD1-SD 4.26Å; I160-M233 HydrophobicContact CG1-CG 3.84Å; I160-M233 HydrophobicContact CG1-SD 4.33Å; I160-M233 HydrophobicContact CG2-CG 4.02Å; I160-M233 HydrophobicContact CG2-SD 4.41Å; I160-C235 HydrophobicContact CG2-CB 3.89Å; I160-L275 HydrophobicContact CD1-CD1 3.66Å; I160-L275 HydrophobicContact CD1-CD2 3.86Å; I160-L275 HydrophobicContact CD1-CG 4.44Å; I160-L279 HydrophobicContact CD1-CD2 4.24Å
161F98.9Very high98.6Very high0 Ų014.1 Ų14.10%09%0.09CC..EExtended strand (participates in β ladder)trans-80.5120.3176.9175.2-120.9000110S153 V163 L167 L174 I177 L195 F225 I231 M233 I234 C235S153-F161 VanDerWaalsContact CB-CE2 3.44Å; S153-F161 WeakPolarHBondContact OG-CE2 3.44Å; F161-V163 HydrophobicContact CD1-CG1 4.46Å; F161-V163 HydrophobicContact CE1-CB 3.89Å; F161-V163 HydrophobicContact CE1-CG1 3.82Å; F161-V163 HydrophobicContact CZ-CB 3.87Å; F161-V163 HydrophobicContact CZ-CG1 4.31Å; F161-V163 HydrophobicContact CZ-CG2 4.33Å; F161-L167 HydrophobicContact CE1-CD2 4.19Å; F161-L174 HydrophobicContact CD2-CD2 3.43Å; F161-L174 VanDerWaalsContact CD2-CD2 3.43Å; F161-L174 HydrophobicContact CE2-CD2 3.54Å; F161-L174 HydrophobicContact CG-CD2 4.1Å; F161-L174 HydrophobicContact CZ-CD2 4.3Å; F161-I177 HydrophobicContact CE2-CD1 3.7Å; F161-I177 HydrophobicContact CZ-CD1 3.51Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; F161-F225 AromaticContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CZ 4.3Å; F161-F225 HydrophobicContact CE1-CE1 4.17Å; F161-F225 HydrophobicContact CE1-CZ 4.2Å; F161-F225 HydrophobicContact CG-CE1 4.31Å; F161-I231 HydrophobicContact CB-CD1 4.26Å; F161-I231 HydrophobicContact CB-CG1 4.41Å; F161-I231 HydrophobicContact CB-CG2 3.92Å; F161-M233 PolarHBondContact N-O 2.83Å; F161-I234 HydrophobicContact CD1-CG1 4.17Å; F161-I234 HydrophobicContact CD1-CG2 4.04Å; F161-I234 CarbonylContact O-C 3.5Å; F161-I234 VanDerWaalsContact O-CA 3.29Å; F161-I234 WeakPolarHBondContact O-CA 3.47Å; F161-C235 PolarHBondContact O-N 3.25Å
162C98.9Very high98.6Very high0 Ų020.6 Ų20.60%012%0.121CC..EExtended strand (participates in β ladder)trans-109.2126.8-179.2-65.90000111.3L78 M80 S153 A154 I156 C235L78-C162 HydrophobicContact CD2-CB 3.54Å; L78-C162 WeakPolarHBondContact CD2-SG 3.17Å; M80-C162 HydrophobicContact SD-CB 4.32Å; S153-C162 CarbonylContact C-O 3.44Å; S153-C162 WeakPolarHBondContact CA-O 3.1Å; S153-C162 WeakPolarHBondContact CB-O 3.38Å; A154-C162 HydrophobicContact CB-CB 4.16Å; A154-C162 PolarHBondContact N-O 3.44Å; A154-C162 PolarHBondContact O-N 3.18Å; I156-C162 VanDerWaalsContact CD1-SG 3.53Å; C162-C235 VanDerWaalsContact CA-O 3.23Å; C162-C235 WeakPolarHBondContact CA-O 3.25Å
163V98.9Very high98.5Very high0 Ų022.9 Ų22.90%013%0.134CC..EExtended strand (participates in β ladder)trans-147.2149.2179.967.90000109.4F161 L195 I234 C235 R236F161-V163 HydrophobicContact CD1-CG1 4.46Å; F161-V163 HydrophobicContact CE1-CB 3.89Å; F161-V163 HydrophobicContact CE1-CG1 3.82Å; F161-V163 HydrophobicContact CZ-CB 3.87Å; F161-V163 HydrophobicContact CZ-CG1 4.31Å; F161-V163 HydrophobicContact CZ-CG2 4.33Å; V163-L195 HydrophobicContact CG2-CB 4.06Å; V163-L195 HydrophobicContact CG2-CD2 3.93Å; V163-L195 WeakPolarHBondContact CG2-O 3.46Å; V163-I234 HydrophobicContact CG1-CG2 4.25Å; V163-C235 PolarHBondContact N-O 2.91Å; V163-C235 VanDerWaalsContact N-O 3.08Å; V163-R236 HydrophobicContact CG1-CB 4.24Å; V163-R236 WeakPolarHBondContact O-CA 2.96Å; V163-R236 WeakPolarHBondContact O-CB 3.43Å
164H98.9Very high98.5Very high0 Ų023.7 Ų23.70%014%0.139CC..SBendtrans-64.9-60.3179.217871.3000112D54 M80 D82 R112 G113 N114 L196 R236 A237 H238D54-H164 IonicContact OD1-CE1 2.82Å; D54-H164 PolarHBondContact OD1-CE1 3.29Å; D54-H164 IonicContact OD1-ND1 2.89Å; D54-H164 IonicContact OD2-CE1 3.61Å; M80-H164 VanDerWaalsContact O-CB 3.27Å; M80-H164 WeakPolarHBondContact O-CB 3.4Å; M80-H164 VanDerWaalsContact O-CG 3.3Å; M80-H164 PolarHBondContact O-ND1 2.86Å; D82-H164 IonicContact OD1-CE1 2.61Å; D82-H164 PolarHBondContact OD1-CE1 3.41Å; D82-H164 IonicContact OD1-NE2 3.97Å; D82-H164 PolarHBondContact OD1-NE2 2.92Å; D82-H164 IonicContact OD2-CE1 3.79Å; D82-H164 PolarHBondContact OD2-CE1 3.36Å; D82-H164 IonicContact OD2-NE2 3.93Å; R112-H164 WeakPolarHBondContact O-CB 3.42Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å; N114-H164 PolarHBondContact N-CD2 3.42Å; N114-H164 PolarHBondContact OD1-NE2 2.94Å; H164-L196 HydrophobicContact CB-CD2 4.3Å; H164-L196 PolarHBondContact CD2-O 2.77Å; H164-L196 VanDerWaalsContact CD2-O 3.32Å; H164-R236 PolarHBondContact O-NE 2.94Å; H164-A237 CarbonylContact O-C 3.58Å; H164-A237 PolarHBondContact O-N 2.83Å; H164-H238 AromaticContact CD2-ND1 3.74Å; H164-H238 AromaticContact CE1-ND1 3.99Å; H164-H238 WeakPolarHBondContact NE2-CB 3.11Å; H164-H238 AromaticContact NE2-CG 3.56Å; H164-H238 AromaticContact NE2-ND1 3.05Å; H164-H238 PolarHBondContact NE2-ND1 3.24Å; H164-H238 WeakPolarHBondContact O-CB 3.41Å
165G98.8Very high98.5Very high0 Ų029 Ų290%017%0.167CC..SBendtrans-83.6-93.8179.600000111.3L195 S198 R236G165-L195 CarbonylContact C-O 3.47Å; G165-L195 WeakPolarHBondContact CA-O 3.36Å; G165-L195 PolarHBondContact N-O 2.96Å; G165-S198 CarbonylContact C-O 3.48Å; G165-R236 VanDerWaalsContact C-NH2 3.34Å; G165-R236 PolarHBondContact O-NE 2.89Å; G165-R236 PolarHBondContact O-NH2 2.68Å
166G98.6Very high98.5Very high0 Ų031.7 Ų31.70%018%0.18CC..  trans-175.4-148.8-173.800000114.1L195 S198G166-L195 PolarHBondContact N-O 3.1Å; G166-L195 VanDerWaalsContact N-O 3.08Å; G166-L195 WeakPolarHBondContact O-CA 3.48Å; G166-S198 PolarHBondContact N-O 2.93Å
167L98.7Very high98.5Very high3 Ų331.8 Ų31.82%0.01618%0.18CC..  trans-83.5162.1-176.8-59.7-178.8000112.1F161 S198 W206 F217 V221 V222 F225 I234F161-L167 HydrophobicContact CE1-CD2 4.19Å; L167-S198 WeakPolarHBondContact O-CB 3.31Å; L167-S198 PolarHBondContact O-OG 3.27Å; L167-W206 HydrophobicContact CB-CH2 3.65Å; L167-W206 HydrophobicContact CB-CZ3 4.14Å; L167-F217 HydrophobicContact CB-CD1 4.42Å; L167-F217 HydrophobicContact CB-CG 4.34Å; L167-F217 HydrophobicContact CD1-CD2 4.33Å; L167-F217 HydrophobicContact CG-CD2 4.47Å; L167-V221 HydrophobicContact CD1-CG1 3.93Å; L167-V222 HydrophobicContact CD1-CG2 4.08Å; L167-F225 HydrophobicContact CD1-CB 3.87Å; L167-F225 HydrophobicContact CD1-CD1 4.48Å; L167-F225 HydrophobicContact CD1-CG 4.08Å; L167-F225 HydrophobicContact CD2-CD1 3.8Å; L167-F225 HydrophobicContact CD2-CD2 3.92Å; L167-F225 HydrophobicContact CD2-CE1 3.9Å; L167-F225 HydrophobicContact CD2-CE2 4.01Å; L167-F225 HydrophobicContact CD2-CG 3.8Å; L167-F225 HydrophobicContact CD2-CZ 4Å; L167-I234 HydrophobicContact CD1-CD1 3.82Å; L167-I234 HydrophobicContact CD2-CD1 3.75Å; L167-I234 HydrophobicContact CG-CD1 3.91Å
168S98.7Very high98.5Very high1 Ų134.2 Ų34.21%0.00719%0.185CC..  trans-123.6139.7175.4174.40000110.5S170 I171 D194 W206S168-S170 PolarHBondContact O-N 3.24Å; S168-S170 VanDerWaalsContact O-N 3.12Å; S168-S170 WeakPolarHBondContact OG-CB 3.46Å; S168-S170 PolarHBondContact OG-N 3.41Å; S168-I171 PolarHBondContact O-N 2.92Å; S168-I171 VanDerWaalsContact O-O 3.12Å; S168-D194 VanDerWaalsContact CB-CB 3.44Å; S168-D194 WeakPolarHBondContact CB-OD2 3.37Å; S168-D194 PolarHBondContact OG-OD2 2.91Å; S168-W206 WeakPolarHBondContact O-CH2 3.31Å
169P98.2Very high98.5Very high48 Ų4837.9 Ų37.931%0.31220%0.199SC..THydrogen-bonded Turntrans-62.9-15.9170.826.7-34.1000112.9W206 Y215P169-W206 VanDerWaalsContact CA-CZ2 3.44Å; P169-W206 HydrophobicContact CB-CD2 4Å; P169-W206 HydrophobicContact CB-CE3 4.44Å; P169-W206 HydrophobicContact CB-CG 4.37Å; P169-W206 HydrophobicContact CB-CZ2 4.07Å; P169-W206 VanDerWaalsContact N-CH2 3.26Å; P169-Y215 VanDerWaalsContact CD-CD2 3.44Å; P169-Y215 HydrophobicContact CG-CD1 4.34Å; P169-Y215 HydrophobicContact CG-CD2 3.74Å; P169-Y215 HydrophobicContact CG-CE1 4.16Å; P169-Y215 HydrophobicContact CG-CE2 3.53Å; P169-Y215 HydrophobicContact CG-CG 4.15Å
170S97.8Very high98.5Very high67 Ų6736.6 Ų36.647%0.46919%0.194SC..THydrogen-bonded Turntrans-89.5-5177.4-55.90000113.5S168 Q176S168-S170 PolarHBondContact O-N 3.24Å; S168-S170 VanDerWaalsContact O-N 3.12Å; S168-S170 WeakPolarHBondContact OG-CB 3.46Å; S168-S170 PolarHBondContact OG-N 3.41Å; S170-Q176 PolarHBondContact O-NE2 2.87Å
171I98.4Very high98.5Very high10 Ų1041.3 Ų41.35%0.05122%0.22CC..  trans-126.6111.8-173.6-55.2174.8000109.2S168 T173 Q176 I177 I180 P191 L195 F225S168-I171 PolarHBondContact O-N 2.92Å; S168-I171 VanDerWaalsContact O-O 3.12Å; I171-T173 WeakPolarHBondContact CG2-O 3.48Å; I171-Q176 HydrophobicContact CG2-CB 4.22Å; I171-I177 HydrophobicContact CD1-CG1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.15Å; I171-I177 HydrophobicContact CG2-CG1 3.57Å; I171-I180 HydrophobicContact CD1-CD1 4.24Å; I171-P191 HydrophobicContact CD1-CB 3.61Å; I171-P191 HydrophobicContact CG1-CB 3.73Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.89Å; I171-L195 HydrophobicContact CD1-CG 3.73Å; I171-F225 HydrophobicContact CG2-CE2 4.27Å
172Q97.8Very high98.5Very high137 Ų13741.9 Ų41.964%0.6422%0.222SC*.SBendtrans-102.5-26.3174.8-61.5176.6600111.8N229Q172-N229 PolarHBondContact O-ND2 3.02Å
173T98.4Very high98.4Very high47 Ų4746.5 Ų46.529%0.28824%0.242SC..SBendtrans-130.5152.5-175.961.50000112.8I171 D175 Q176 N229I171-T173 WeakPolarHBondContact CG2-O 3.48Å; T173-D175 PolarHBondContact O-N 3.35Å; T173-Q176 WeakPolarHBondContact O-CB 3.37Å; T173-Q176 PolarHBondContact O-N 3.42Å; T173-Q176 VanDerWaalsContact O-N 3.13Å; T173-Q176 PolarHBondContact OG1-OE1 3.23Å; T173-N229 WeakPolarHBondContact CA-OD1 3.27Å
174L98.6Very high98.4Very high18 Ų1850.6 Ų50.69%0.09426%0.261CS..Hα-helixtrans-58.8-31.5173.5-65.6-179.7000112.2V42 F161 Q176 I177 R178 F225 N229 I231V42-L174 HydrophobicContact CG1-CD2 4.47Å; F161-L174 HydrophobicContact CD2-CD2 3.43Å; F161-L174 VanDerWaalsContact CD2-CD2 3.43Å; F161-L174 HydrophobicContact CE2-CD2 3.54Å; F161-L174 HydrophobicContact CG-CD2 4.1Å; F161-L174 HydrophobicContact CZ-CD2 4.3Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 2.9Å; L174-I177 HydrophobicContact CD2-CD1 4.02Å; L174-I177 WeakPolarHBondContact O-CB 3Å; L174-I177 PolarHBondContact O-N 2.98Å; L174-I177 VanDerWaalsContact O-N 3.1Å; L174-R178 PolarHBondContact O-N 2.86Å; L174-R178 VanDerWaalsContact O-N 3.16Å; L174-F225 HydrophobicContact CD2-CE1 4.38Å; L174-F225 HydrophobicContact CD2-CZ 3.94Å; L174-N229 HydrophobicContact CD1-CB 4.46Å; L174-N229 HydrophobicContact CG-CB 4.24Å; L174-N229 PolarHBondContact N-OD1 3.35Å; L174-I231 HydrophobicContact CD1-CD1 4.13Å
175D98.3Very high98.4Very high110 Ų11052.6 Ų52.659%0.58827%0.27SS*.Hα-helixtrans-65-32.3177.9-72.7-20.3000112.5T173 I177 R178 T179T173-D175 PolarHBondContact O-N 3.35Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 2.95Å; D175-R178 WeakPolarHBondContact O-CB 3.27Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 IonicContact OD1-NE 3.64Å; D175-T179 PolarHBondContact O-N 3.33Å
176Q98.6Very high98.3Very high69 Ų6953 Ų5332%0.32227%0.273SS..Hα-helixtrans-63.1-39.3172.8-71.5170.2-71.600111.1S170 I171 T173 L174 R178 T179S170-Q176 PolarHBondContact O-NE2 2.87Å; I171-Q176 HydrophobicContact CG2-CB 4.22Å; T173-Q176 WeakPolarHBondContact O-CB 3.37Å; T173-Q176 PolarHBondContact O-N 3.42Å; T173-Q176 VanDerWaalsContact O-N 3.13Å; T173-Q176 PolarHBondContact OG1-OE1 3.23Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 2.9Å; Q176-R178 VanDerWaalsContact C-N 3.31Å; Q176-R178 PolarHBondContact O-N 3.11Å; Q176-T179 PolarHBondContact O-N 3.37Å; Q176-T179 PolarHBondContact O-OG1 3.42Å
177I98.8Very high98.3Very high1 Ų155 Ų551%0.00529%0.286CS..Hα-helixtrans-60.9-42.1174.7-52.7175.4000110.4N41 V42 L152 F161 I171 L174 D175 T179 I180 L195N41-I177 HydrophobicContact CB-CG2 4.1Å; N41-I177 WeakPolarHBondContact CB-O 3.4Å; N41-I177 PolarHBondContact ND2-O 2.85Å; V42-I177 HydrophobicContact CG2-CB 3.62Å; V42-I177 HydrophobicContact CG2-CD1 4.34Å; V42-I177 HydrophobicContact CG2-CG2 3.64Å; L152-I177 HydrophobicContact CB-CG2 4.45Å; F161-I177 HydrophobicContact CE2-CD1 3.7Å; F161-I177 HydrophobicContact CZ-CD1 3.51Å; I171-I177 HydrophobicContact CD1-CG1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.15Å; I171-I177 HydrophobicContact CG2-CG1 3.57Å; L174-I177 HydrophobicContact CD2-CD1 4.02Å; L174-I177 WeakPolarHBondContact O-CB 3Å; L174-I177 PolarHBondContact O-N 2.98Å; L174-I177 VanDerWaalsContact O-N 3.1Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 2.95Å; I177-T179 PolarHBondContact O-N 3.45Å; I177-T179 VanDerWaalsContact O-N 3.13Å; I177-I180 HydrophobicContact CG2-CD1 4.45Å; I177-I180 PolarHBondContact O-N 2.9Å; I177-L195 HydrophobicContact CD1-CD2 4.03Å; I177-L195 HydrophobicContact CG1-CD1 4.32Å; I177-L195 HydrophobicContact CG1-CD2 4.42Å; I177-L195 HydrophobicContact CG2-CD1 3.87Å
178R98.4Very high98.1Very high108 Ų10861.4 Ų61.441%0.40832%0.315SS..Hα-helixtrans-59.5-24.1179-64.1-177.4-172.6-73-4.3113.8S40 V42 L174 D175 Q176S40-R178 PolarHBondContact OG-NH1 3.36Å; V42-R178 HydrophobicContact CB-CG 4.23Å; V42-R178 HydrophobicContact CG2-CG 3.84Å; V42-R178 PolarHBondContact O-NH1 3.11Å; L174-R178 PolarHBondContact O-N 2.86Å; L174-R178 VanDerWaalsContact O-N 3.16Å; D175-R178 WeakPolarHBondContact O-CB 3.27Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 IonicContact OD1-NE 3.64Å; Q176-R178 VanDerWaalsContact C-N 3.31Å; Q176-R178 PolarHBondContact O-N 3.11Å
179T98Very high98Very high118 Ų11867.2 Ų67.272%0.72435%0.346SS*.THydrogen-bonded Turntrans-90.6-9.2-177.662.70000114.9D175 Q176 I177 D181D175-T179 PolarHBondContact O-N 3.33Å; Q176-T179 PolarHBondContact O-N 3.37Å; Q176-T179 PolarHBondContact O-OG1 3.42Å; I177-T179 PolarHBondContact O-N 3.45Å; I177-T179 VanDerWaalsContact O-N 3.13Å; T179-D181 PolarHBondContact O-N 2.99Å
180I98.5Very high98Very high28 Ų2866 Ų6614%0.14434%0.343CS..SBendtrans-64.4131.6178.3-62.1172.9000109.8N41 L152 I171 I177 R182 P191 M192 L195N41-I180 PolarHBondContact ND2-O 3.1Å; L152-I180 HydrophobicContact CD1-CB 4.04Å; L152-I180 HydrophobicContact CD1-CD1 4.01Å; L152-I180 HydrophobicContact CD1-CG2 3.77Å; I171-I180 HydrophobicContact CD1-CD1 4.24Å; I177-I180 HydrophobicContact CG2-CD1 4.45Å; I177-I180 PolarHBondContact O-N 2.9Å; I180-R182 PolarHBondContact O-N 3.26Å; I180-P191 HydrophobicContact CD1-CB 3.99Å; I180-P191 HydrophobicContact CD1-CG 4.38Å; I180-M192 HydrophobicContact CG2-CB 4.07Å; I180-M192 HydrophobicContact CG2-SD 4.39Å; I180-L195 HydrophobicContact CD1-CD1 3.83Å
181D98.1Very high98Very high102 Ų10265.1 Ų65.155%0.54534%0.336SS..  trans-76.195.7167.2-175.47000109.4T179 K183 Q184T179-D181 PolarHBondContact O-N 2.99Å; D181-K183 VanDerWaalsContact C-N 3.33Å; D181-K183 PolarHBondContact OD1-N 3.39Å; D181-Q184 PolarHBondContact O-NE2 3.27Å
182R98.3Very high98Very high12 Ų1264.9 Ų64.95%0.04533%0.334CS..  trans-77.9-15.1-176.371.1166.4-175-89.34.4114.4L36 E39 N41 D148 Y149 L150 L152 I180 Q184L36-R182 PolarHBondContact O-NH2 3.2Å; E39-R182 VanDerWaalsContact O-CZ 3.29Å; E39-R182 PolarHBondContact O-NH1 2.94Å; E39-R182 PolarHBondContact O-NH2 2.94Å; N41-R182 WeakPolarHBondContact OD1-CD 3.38Å; N41-R182 VanDerWaalsContact OD1-CG 3.25Å; N41-R182 WeakPolarHBondContact OD1-CG 3.35Å; N41-R182 PolarHBondContact OD1-NH1 2.73Å; D148-R182 CarbonylContact O-C 3.49Å; Y149-R182 PolarHBondContact O-NE 3.47Å; Y149-R182 PolarHBondContact O-NH2 3.33Å; L150-R182 WeakPolarHBondContact O-CD 3.44Å; L152-R182 HydrophobicContact CD1-CB 4.04Å; L152-R182 HydrophobicContact CD2-CB 4.03Å; L152-R182 HydrophobicContact CG-CB 3.96Å; I180-R182 PolarHBondContact O-N 3.26Å; R182-Q184 PolarHBondContact O-N 2.96Å
183K98Very high98.1Very high97 Ų9758.4 Ų58.442%0.42230%0.304SS..SBendtrans-79.649.3-168-64172-173.6168.60112.5D148 Y149 D181D148-K183 WeakPolarHBondContact O-CA 3.25Å; Y149-K183 HydrophobicContact CD1-CG 4.45Å; Y149-K183 HydrophobicContact CE1-CD 4.21Å; Y149-K183 HydrophobicContact CE1-CG 4.41Å; D181-K183 VanDerWaalsContact C-N 3.33Å; D181-K183 PolarHBondContact OD1-N 3.39Å
184Q98.3Very high98.1Very high87 Ų8756.3 Ų56.341%0.40729%0.292SS..SBendtrans-150168.1-177.360.5-176.5-51.100110.3R112 D148 D181 R182 M192R112-Q184 PolarHBondContact NH1-O 3.46Å; D148-Q184 VanDerWaalsContact OD1-O 3.07Å; D181-Q184 PolarHBondContact O-NE2 3.27Å; R182-Q184 PolarHBondContact O-N 2.96Å; Q184-M192 HydrophobicContact CG-SD 4.42Å
185E98.3Very high98.1Very high41 Ų4155.6 Ų55.619%0.19229%0.288CS..PPolyproline II helixtrans-58.4145.1167.3-176.858.4-154.500110.5S117 R118 Q119 P187S117-E185 WeakPolarHBondContact CA-OE1 3.44Å; S117-E185 VanDerWaalsContact CB-OE1 3.3Å; S117-E185 WeakPolarHBondContact CB-OE1 3.31Å; S117-E185 PolarHBondContact OG-OE1 2.89Å; R118-E185 VanDerWaalsContact CB-OE2 3.32Å; R118-E185 WeakPolarHBondContact CB-OE2 3.34Å; R118-E185 WeakPolarHBondContact CD-OE2 3.31Å; R118-E185 WeakPolarHBondContact CG-OE2 3.39Å; R118-E185 IonicContact CZ-OE2 2.8Å; R118-E185 PolarHBondContact N-OE1 3.05Å; R118-E185 PolarHBondContact N-OE2 2.74Å; R118-E185 VanDerWaalsContact N-OE2 3.13Å; R118-E185 IonicContact NH1-OE2 3.96Å; R118-E185 PolarHBondContact NH1-OE2 3.03Å; Q119-E185 PolarHBondContact N-OE1 3.31Å; E185-P187 WeakPolarHBondContact O-CD 3.22Å
186V98.4Very high98.1Very high8 Ų850.3 Ų50.35%0.04826%0.26CS..PPolyproline II helixtrans-59.3121.2176.7-175.40000109.3M192 L196V186-M192 HydrophobicContact CG2-CE 4.16Å; V186-L196 HydrophobicContact CG1-CD1 3.94Å; V186-L196 HydrophobicContact CG2-CD1 3.67Å
187P98Very high98.1Very high42 Ų4249 Ų4927%0.27325%0.252SS..PPolyproline II helixtrans-69.2162.8177.227.4-31.9000111.1E185 D189 M192 C193E185-P187 WeakPolarHBondContact O-CD 3.22Å; P187-D189 VanDerWaalsContact C-N 3.28Å; P187-D189 WeakPolarHBondContact CG-O 3.21Å; P187-D189 PolarHBondContact O-N 3.01Å; P187-M192 HydrophobicContact CG-CB 4.2Å; P187-C193 WeakPolarHBondContact O-CB 3.35Å
188H95.2Very high98.1Very high138 Ų13849 Ų4964%0.63925%0.251SS*.SBendtrans-74.9-18.6178.5-66.8-72.4000113.7Q119Q119-H188 PolarHBondContact NE2-CE1 3.35Å; Q119-H188 PolarHBondContact NE2-NE2 2.86Å; Q119-H188 PolarHBondContact OE1-CE1 3.08Å
189D96.6Very high98.2Very high123 Ų12344 Ų4466%0.65823%0.233SC*.SBendtrans-147.4174.6179.265.4-5.8000111.3P187P187-D189 VanDerWaalsContact C-N 3.28Å; P187-D189 WeakPolarHBondContact CG-O 3.21Å; P187-D189 PolarHBondContact O-N 3.01Å
190G97.6Very high98.2Very high24 Ų2438.6 Ų38.625%0.24720%0.2CC..SBendtrans88.5-179.2176.500000114.4M192 C193 D194G190-M192 VanDerWaalsContact C-N 3.32Å; G190-M192 PolarHBondContact O-N 2.83Å; G190-C193 WeakPolarHBondContact O-CB 3.28Å; G190-C193 PolarHBondContact O-N 3.48Å; G190-D194 PolarHBondContact O-N 3.29Å
191P98.2Very high98.1Very high48 Ų4841.2 Ų41.231%0.31221%0.211SC..Hα-helixtrans-59.7-37.5-164.421.1-33.4000113.9I171 I180 D194 L195I171-P191 HydrophobicContact CD1-CB 3.61Å; I171-P191 HydrophobicContact CG1-CB 3.73Å; I180-P191 HydrophobicContact CD1-CB 3.99Å; I180-P191 HydrophobicContact CD1-CG 4.38Å; P191-D194 PolarHBondContact O-N 3.47Å; P191-L195 VanDerWaalsContact O-CG 3.27Å; P191-L195 WeakPolarHBondContact O-CG 3.38Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-L195 VanDerWaalsContact O-N 3.1Å
192M98.7Very high97.9Very high4 Ų442.4 Ų42.42%0.0222%0.218CC..Hα-helixtrans-68.2-40.5177.3-176.9173170.100112.1L152 I180 Q184 V186 P187 G190 L196L152-M192 HydrophobicContact CD1-CG 4.25Å; L152-M192 HydrophobicContact CD2-CE 3.99Å; L152-M192 HydrophobicContact CD2-CG 4.06Å; L152-M192 HydrophobicContact CD2-SD 4.42Å; I180-M192 HydrophobicContact CG2-CB 4.07Å; I180-M192 HydrophobicContact CG2-SD 4.39Å; Q184-M192 HydrophobicContact CG-SD 4.42Å; V186-M192 HydrophobicContact CG2-CE 4.16Å; P187-M192 HydrophobicContact CG-CB 4.2Å; G190-M192 VanDerWaalsContact C-N 3.32Å; G190-M192 PolarHBondContact O-N 2.83Å; M192-L196 WeakPolarHBondContact O-CG 3.15Å
193C98.7Very high97.7Very high2 Ų245 Ų451%0.01424%0.235CC..Hα-helixtrans-61.8-49.1174.8179.90000110.1P187 G190 L195 L196 W197P187-C193 WeakPolarHBondContact O-CB 3.35Å; G190-C193 WeakPolarHBondContact O-CB 3.28Å; G190-C193 PolarHBondContact O-N 3.48Å; C193-L195 PolarHBondContact O-N 3.27Å; C193-L196 PolarHBondContact O-N 3.38Å; C193-W197 WeakPolarHBondContact O-CB 3.43Å; C193-W197 VanDerWaalsContact O-CD1 3.27Å; C193-W197 PolarHBondContact O-N 3.01Å
194D98.7Very high97.5Very high3 Ų346.1 Ų46.12%0.01625%0.25CS..Hα-helixtrans-59.5-43.3-177.2-60.5-21.3000112.6S168 G190 P191 L196 W197 S198 Y215S168-D194 VanDerWaalsContact CB-CB 3.44Å; S168-D194 WeakPolarHBondContact CB-OD2 3.37Å; S168-D194 PolarHBondContact OG-OD2 2.91Å; G190-D194 PolarHBondContact O-N 3.29Å; P191-D194 PolarHBondContact O-N 3.47Å; D194-L196 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact O-N 3.14Å; D194-W197 PolarHBondContact O-N 3.1Å; D194-S198 VanDerWaalsContact O-CB 3.22Å; D194-S198 WeakPolarHBondContact O-CB 3.48Å; D194-S198 PolarHBondContact O-N 2.78Å; D194-S198 PolarHBondContact O-OG 2.84Å; D194-S198 VanDerWaalsContact O-OG 3.04Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.09Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.3Å
195L98.9Very high97.5Very high2 Ų242.7 Ų42.71%0.0124%0.239CC..Hα-helixtrans-56.6-31.1176.2-72.6169000112.3L152 F161 V163 G165 G166 I171 I177 I180 P191 C193L152-L195 HydrophobicContact CB-CD1 4.32Å; L152-L195 HydrophobicContact CD1-CD1 4.22Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; V163-L195 HydrophobicContact CG2-CB 4.06Å; V163-L195 HydrophobicContact CG2-CD2 3.93Å; V163-L195 WeakPolarHBondContact CG2-O 3.46Å; G165-L195 CarbonylContact C-O 3.47Å; G165-L195 WeakPolarHBondContact CA-O 3.36Å; G165-L195 PolarHBondContact N-O 2.96Å; G166-L195 PolarHBondContact N-O 3.1Å; G166-L195 VanDerWaalsContact N-O 3.08Å; G166-L195 WeakPolarHBondContact O-CA 3.48Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.89Å; I171-L195 HydrophobicContact CD1-CG 3.73Å; I177-L195 HydrophobicContact CD1-CD2 4.03Å; I177-L195 HydrophobicContact CG1-CD1 4.32Å; I177-L195 HydrophobicContact CG1-CD2 4.42Å; I177-L195 HydrophobicContact CG2-CD1 3.87Å; I180-L195 HydrophobicContact CD1-CD1 3.83Å; P191-L195 VanDerWaalsContact O-CG 3.27Å; P191-L195 WeakPolarHBondContact O-CG 3.38Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-L195 VanDerWaalsContact O-N 3.1Å; C193-L195 PolarHBondContact O-N 3.27Å
196L98.8Very high97.5Very high0 Ų045.4 Ų45.40%025%0.247CC..Hα-helixtrans-95.8-16.8-177.7-55.8-177.5000113.5R112 N114 H164 V186 M192 C193 D194R112-L196 HydrophobicContact CB-CD2 4.35Å; R112-L196 HydrophobicContact CG-CD1 4.38Å; R112-L196 WeakPolarHBondContact O-CD2 3.28Å; N114-L196 HydrophobicContact CB-CB 4.15Å; H164-L196 HydrophobicContact CB-CD2 4.3Å; H164-L196 PolarHBondContact CD2-O 2.77Å; H164-L196 VanDerWaalsContact CD2-O 3.32Å; V186-L196 HydrophobicContact CG1-CD1 3.94Å; V186-L196 HydrophobicContact CG2-CD1 3.67Å; M192-L196 WeakPolarHBondContact O-CG 3.15Å; C193-L196 PolarHBondContact O-N 3.38Å; D194-L196 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact O-N 3.14Å
197W98.7Very high97.4Very high41 Ų4146.1 Ų46.116%0.15526%0.256CS..Hα-helixtrans-125-16.3-169.8-75.193.8000115.8N114 I120 C193 D194 R211 A213N114-W197 HydrophobicContact CB-CD2 3.96Å; N114-W197 HydrophobicContact CB-CG 4.31Å; N114-W197 HydrophobicContact CB-CH2 4.48Å; N114-W197 HydrophobicContact CB-CZ2 3.8Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.34Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.32Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.38Å; I120-W197 HydrophobicContact CD1-CH2 4.01Å; I120-W197 HydrophobicContact CD1-CZ2 3.79Å; I120-W197 HydrophobicContact CG1-CZ2 4.13Å; C193-W197 WeakPolarHBondContact O-CB 3.43Å; C193-W197 VanDerWaalsContact O-CD1 3.27Å; C193-W197 PolarHBondContact O-N 3.01Å; D194-W197 PolarHBondContact O-N 3.1Å; W197-R211 HydrophobicContact CE3-CB 4.05Å; W197-R211 HydrophobicContact CZ3-CB 4.25Å; W197-A213 HydrophobicContact CB-CB 4.12Å; W197-A213 HydrophobicContact CD2-CB 3.83Å; W197-A213 HydrophobicContact CE3-CB 4.16Å; W197-A213 HydrophobicContact CG-CB 3.82Å
198S98.7Very high97.3Very high0 Ų050.3 Ų50.30%028%0.28CS..  trans-71.4148.2-176-70.30000112.7G165 G166 L167 D194 Y215 R236G165-S198 CarbonylContact C-O 3.48Å; G166-S198 PolarHBondContact N-O 2.93Å; L167-S198 WeakPolarHBondContact O-CB 3.31Å; L167-S198 PolarHBondContact O-OG 3.27Å; D194-S198 VanDerWaalsContact O-CB 3.22Å; D194-S198 WeakPolarHBondContact O-CB 3.48Å; D194-S198 PolarHBondContact O-N 2.78Å; D194-S198 PolarHBondContact O-OG 2.84Å; D194-S198 VanDerWaalsContact O-OG 3.04Å; S198-Y215 CarbonylContact C-O 3.49Å; S198-Y215 WeakPolarHBondContact CA-O 3.5Å; S198-Y215 WeakPolarHBondContact CB-O 3.36Å; S198-Y215 PolarHBondContact OG-N 3.17Å; S198-Y215 PolarHBondContact OG-O 2.95Å; S198-R236 PolarHBondContact O-NH2 2.78Å
199D98.8Very high97.4Very high4 Ų444 Ų442%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-126.5145.1-177.7-81.7-29.8000113.4R211 Y215 L216 F217 R236 H238 Q239D199-R211 IonicContact OD1-CZ 3.04Å; D199-R211 IonicContact OD1-NE 2.94Å; D199-R211 IonicContact OD1-NH2 3.3Å; D199-R211 PolarHBondContact OD1-NH2 3.37Å; D199-R211 IonicContact OD2-CZ 2.68Å; D199-R211 IonicContact OD2-NE 2.81Å; D199-R211 PolarHBondContact OD2-NE 3.38Å; D199-R211 IonicContact OD2-NH2 3.29Å; D199-R211 PolarHBondContact OD2-NH2 3.3Å; D199-Y215 PolarHBondContact N-O 3.11Å; D199-L216 HydrophobicContact CB-CD2 3.94Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.47Å; D199-F217 VanDerWaalsContact C-CD1 3.49Å; D199-F217 WeakPolarHBondContact O-CD1 3.31Å; D199-F217 WeakPolarHBondContact O-CE1 3.4Å; D199-F217 PolarHBondContact O-N 3.33Å; D199-R236 IonicContact OD1-CZ 2.8Å; D199-R236 IonicContact OD1-NH1 2.68Å; D199-R236 PolarHBondContact OD1-NH1 3.39Å; D199-R236 VanDerWaalsContact OD1-NH1 3.11Å; D199-R236 IonicContact OD1-NH2 3.85Å; D199-R236 PolarHBondContact OD1-NH2 2.97Å; D199-H238 IonicContact OD1-CD2 3.66Å; D199-H238 PolarHBondContact OD1-CD2 2.93Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.12Å; D199-Q239 PolarHBondContact OD1-NE2 2.84Å; D199-Q239 PolarHBondContact OD2-NE2 3.01Å; D199-Q239 VanDerWaalsContact OD2-NE2 3.16Å
200P98.4Very high97.4Very high5 Ų543.6 Ų43.63%0.03226%0.256CS..EExtended strand (participates in β ladder)trans-70.1138.5168.729.9-34.4000111.1F217 H248 F249P200-F217 WeakPolarHBondContact CA-O 3.41Å; P200-F217 HydrophobicContact CB-CD2 4.45Å; P200-F217 HydrophobicContact CB-CE2 3.81Å; P200-F217 HydrophobicContact CB-CZ 3.89Å; P200-F217 HydrophobicContact CG-CZ 4.3Å; P200-H248 HydrophobicContact CB-CB 4.46Å; P200-H248 VanDerWaalsContact CG-CE1 3.5Å; P200-H248 WeakPolarHBondContact CG-CE1 3.47Å; P200-F249 HydrophobicContact CB-CE2 3.62Å; P200-F249 HydrophobicContact CB-CZ 3.72Å
201E96.9Very high97.3Very high82 Ų8247 Ų4738%0.38326%0.261SS..  trans-138.7145.1175.3-174.664.2-101.900110.9T203 L216 F217 F249E201-T203 HydrophobicContact CG-CG2 3.79Å; E201-T203 PolarHBondContact O-N 3.13Å; E201-L216 HydrophobicContact CB-CB 3.97Å; E201-L216 HydrophobicContact CB-CD1 4.22Å; E201-L216 HydrophobicContact CB-CD2 4.35Å; E201-L216 HydrophobicContact CB-CG 4.4Å; E201-L216 HydrophobicContact CG-CD1 4.11Å; E201-F217 PolarHBondContact N-O 2.95Å; E201-F217 VanDerWaalsContact N-O 3.1Å; E201-F249 VanDerWaalsContact O-CE1 3.23Å; E201-F249 WeakPolarHBondContact O-CE1 3.46Å; E201-F249 VanDerWaalsContact O-CZ 3.23Å; E201-F249 WeakPolarHBondContact O-CZ 3.43Å
202D94.7Very high97.1Very high128 Ų12848.2 Ų48.268%0.68428%0.282SS*.SBendtrans-74.159.8179.2-73.2-33.1000111.8
203T92.5Very high97Very high66 Ų6648.9 Ų48.941%0.40529%0.289SS..SBendtrans-134.4178.4-179.958.10000110.6E201 G218E201-T203 HydrophobicContact CG-CG2 3.79Å; E201-T203 PolarHBondContact O-N 3.13Å; T203-G218 WeakPolarHBondContact O-CA 3.39Å
204T94.9Very high97Very high120 Ų12049.5 Ų49.574%0.73630%0.295SS*.SBendtrans-108.3136.5175.3-53.90000109.9D220T204-D220 WeakPolarHBondContact CA-OD1 3.41Å
205G97.8Very high97Very high16 Ų1653.6 Ų53.617%0.16531%0.311CS..SBendtrans75.6-143.7179.300000112.9G218 D220 V221G205-G218 PolarHBondContact O-N 3.27Å; G205-D220 PolarHBondContact N-OD1 2.99Å; G205-D220 PolarHBondContact N-OD2 3.49Å; G205-V221 WeakPolarHBondContact O-CG2 3.36Å
206W98.2Very high97Very high98 Ų9854.7 Ų54.737%0.37132%0.317SS..EExtended strand (participates in β ladder)trans-107.5142.2-178.8-60.595.6000111L167 S168 P169 Y215 L216 F217 V221L167-W206 HydrophobicContact CB-CH2 3.65Å; L167-W206 HydrophobicContact CB-CZ3 4.14Å; S168-W206 WeakPolarHBondContact O-CH2 3.31Å; P169-W206 VanDerWaalsContact CA-CZ2 3.44Å; P169-W206 HydrophobicContact CB-CD2 4Å; P169-W206 HydrophobicContact CB-CE3 4.44Å; P169-W206 HydrophobicContact CB-CG 4.37Å; P169-W206 HydrophobicContact CB-CZ2 4.07Å; P169-W206 VanDerWaalsContact N-CH2 3.26Å; W206-Y215 HydrophobicContact CE3-CG 4.34Å; W206-L216 CarbonylContact C-O 3.47Å; W206-L216 VanDerWaalsContact CA-O 3.32Å; W206-L216 WeakPolarHBondContact CA-O 3.32Å; W206-F217 HydrophobicContact CE3-CB 3.87Å; W206-F217 HydrophobicContact CH2-CB 4.33Å; W206-F217 HydrophobicContact CZ3-CB 3.67Å; W206-V221 HydrophobicContact CD2-CG1 4.35Å; W206-V221 HydrophobicContact CD2-CG2 4.21Å; W206-V221 HydrophobicContact CG-CG2 4.4Å; W206-V221 HydrophobicContact CH2-CG1 3.51Å; W206-V221 HydrophobicContact CZ2-CB 4.39Å; W206-V221 HydrophobicContact CZ2-CG1 3.19Å; W206-V221 HydrophobicContact CZ2-CG2 4.31Å; W206-V221 HydrophobicContact CZ3-CG1 4.21Å
207G97.4Very high96.9Very high22 Ų2254.7 Ų54.723%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-125.6162.8173.600000112.3Y215 L216G207-Y215 WeakPolarHBondContact O-CA 3.47Å; G207-L216 PolarHBondContact N-O 3.16Å; G207-L216 PolarHBondContact O-N 3.22Å
208V96Very high96.9Very high130 Ų13052.7 Ų52.779%0.78831%0.309SS*.EExtended strand (participates in β ladder)trans-74.3127.3174178.50000108.9
209S96.8Very high96.9Very high6 Ų655.5 Ų55.54%0.04233%0.329CS..  trans-67.5131.6177175.80000111.3R211 G212 A213 G214S209-R211 PolarHBondContact O-N 2.95Å; S209-R211 WeakPolarHBondContact OG-CB 3.49Å; S209-R211 WeakPolarHBondContact OG-CG 3.41Å; S209-R211 PolarHBondContact OG-N 2.89Å; S209-R211 VanDerWaalsContact OG-N 3.16Å; S209-G212 PolarHBondContact O-N 3.02Å; S209-A213 WeakPolarHBondContact CB-O 3.5Å; S209-A213 PolarHBondContact OG-O 3.22Å; S209-G214 WeakPolarHBondContact CB-O 3.37Å
210P95.9Very high96.9Very high114 Ų11457.5 Ų57.574%0.7434%0.34SS*.THydrogen-bonded Turntrans-68.3-10.317330.5-35.2000112.6G212P210-G212 PolarHBondContact O-N 3.44Å
211R94.9Very high96.9Very high95 Ų9557.7 Ų57.736%0.35834%0.341SS..THydrogen-bonded Turntrans-73.7-14.2176.9-55.6-176-179.1-107.312.4113.2W197 D199 S209 A213 H238 Q239W197-R211 HydrophobicContact CE3-CB 4.05Å; W197-R211 HydrophobicContact CZ3-CB 4.25Å; D199-R211 IonicContact OD1-CZ 3.04Å; D199-R211 IonicContact OD1-NE 2.94Å; D199-R211 IonicContact OD1-NH2 3.3Å; D199-R211 PolarHBondContact OD1-NH2 3.37Å; D199-R211 IonicContact OD2-CZ 2.68Å; D199-R211 IonicContact OD2-NE 2.81Å; D199-R211 PolarHBondContact OD2-NE 3.38Å; D199-R211 IonicContact OD2-NH2 3.29Å; D199-R211 PolarHBondContact OD2-NH2 3.3Å; S209-R211 PolarHBondContact O-N 2.95Å; S209-R211 WeakPolarHBondContact OG-CB 3.49Å; S209-R211 WeakPolarHBondContact OG-CG 3.41Å; S209-R211 PolarHBondContact OG-N 2.89Å; S209-R211 VanDerWaalsContact OG-N 3.16Å; R211-A213 PolarHBondContact O-N 2.95Å; R211-H238 WeakPolarHBondContact CD-NE2 3.47Å; R211-H238 PolarHBondContact NE-NE2 3.42Å; R211-H238 VanDerWaalsContact NE-NE2 3.15Å; R211-H238 PolarHBondContact NH1-NE2 3.46Å; R211-H238 PolarHBondContact NH2-CD2 3.02Å; R211-H238 PolarHBondContact NH2-NE2 3.08Å; R211-H238 PolarHBondContact NH2-O 3.36Å; R211-Q239 VanDerWaalsContact NH2-CG 3.26Å
212G94.8Very high96.9Very high74 Ų7453.8 Ų53.876%0.76332%0.322SS*.SBendtrans78.35.1-172.300000114.3S209 P210S209-G212 PolarHBondContact O-N 3.02Å; P210-G212 PolarHBondContact O-N 3.44Å
213A97Very high97.1Very high19 Ų1950.5 Ų50.516%0.15731%0.313CS..SBendtrans-148.9149.6175.900000109.5W197 S209 R211W197-A213 HydrophobicContact CB-CB 4.12Å; W197-A213 HydrophobicContact CD2-CB 3.83Å; W197-A213 HydrophobicContact CE3-CB 4.16Å; W197-A213 HydrophobicContact CG-CB 3.82Å; S209-A213 WeakPolarHBondContact CB-O 3.5Å; S209-A213 PolarHBondContact OG-O 3.22Å; R211-A213 PolarHBondContact O-N 2.95Å
214G97.8Very high97.4Very high14 Ų1453.6 Ų53.614%0.14432%0.323CS..SBendtrans69-166.2-174.400000114.1S209S209-G214 WeakPolarHBondContact CB-O 3.37Å
215Y98.4Very high97.5Very high90 Ų9048.4 Ų48.435%0.35329%0.29SS..EExtended strand (participates in β ladder)trans-132159.2-176.8-67.8-93000112.3P169 D194 S198 D199 W206 G207P169-Y215 VanDerWaalsContact CD-CD2 3.44Å; P169-Y215 HydrophobicContact CG-CD1 4.34Å; P169-Y215 HydrophobicContact CG-CD2 3.74Å; P169-Y215 HydrophobicContact CG-CE1 4.16Å; P169-Y215 HydrophobicContact CG-CE2 3.53Å; P169-Y215 HydrophobicContact CG-CG 4.15Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.09Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.3Å; S198-Y215 CarbonylContact C-O 3.49Å; S198-Y215 WeakPolarHBondContact CA-O 3.5Å; S198-Y215 WeakPolarHBondContact CB-O 3.36Å; S198-Y215 PolarHBondContact OG-N 3.17Å; S198-Y215 PolarHBondContact OG-O 2.95Å; D199-Y215 PolarHBondContact N-O 3.11Å; W206-Y215 HydrophobicContact CE3-CG 4.34Å; G207-Y215 WeakPolarHBondContact O-CA 3.47Å
216L98.6Very high97.6Very high24 Ų2448.2 Ų48.213%0.12629%0.285CS..EExtended strand (participates in β ladder)trans-83.8139.2159.2-56.7179.4000108.8D199 E201 W206 G207D199-L216 HydrophobicContact CB-CD2 3.94Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.47Å; E201-L216 HydrophobicContact CB-CB 3.97Å; E201-L216 HydrophobicContact CB-CD1 4.22Å; E201-L216 HydrophobicContact CB-CD2 4.35Å; E201-L216 HydrophobicContact CB-CG 4.4Å; E201-L216 HydrophobicContact CG-CD1 4.11Å; W206-L216 CarbonylContact C-O 3.47Å; W206-L216 VanDerWaalsContact CA-O 3.32Å; W206-L216 WeakPolarHBondContact CA-O 3.32Å; G207-L216 PolarHBondContact N-O 3.16Å; G207-L216 PolarHBondContact O-N 3.22Å
217F98.7Very high97.6Very high0 Ų047.6 Ų47.60%030%0.301CS..EExtended strand (participates in β ladder)trans-128.5134176.458.5-89.1000112.2L167 D199 P200 E201 W206 V221 V222 F249 V253L167-F217 HydrophobicContact CB-CD1 4.42Å; L167-F217 HydrophobicContact CB-CG 4.34Å; L167-F217 HydrophobicContact CD1-CD2 4.33Å; L167-F217 HydrophobicContact CG-CD2 4.47Å; D199-F217 VanDerWaalsContact C-CD1 3.49Å; D199-F217 WeakPolarHBondContact O-CD1 3.31Å; D199-F217 WeakPolarHBondContact O-CE1 3.4Å; D199-F217 PolarHBondContact O-N 3.33Å; P200-F217 WeakPolarHBondContact CA-O 3.41Å; P200-F217 HydrophobicContact CB-CD2 4.45Å; P200-F217 HydrophobicContact CB-CE2 3.81Å; P200-F217 HydrophobicContact CB-CZ 3.89Å; P200-F217 HydrophobicContact CG-CZ 4.3Å; E201-F217 PolarHBondContact N-O 2.95Å; E201-F217 VanDerWaalsContact N-O 3.1Å; W206-F217 HydrophobicContact CE3-CB 3.87Å; W206-F217 HydrophobicContact CH2-CB 4.33Å; W206-F217 HydrophobicContact CZ3-CB 3.67Å; F217-V221 HydrophobicContact CB-CB 4.33Å; F217-V221 HydrophobicContact CB-CG1 4.13Å; F217-V222 HydrophobicContact CD2-CG2 3.68Å; F217-V222 HydrophobicContact CE2-CG2 3.87Å; F217-F249 HydrophobicContact CD2-CE2 4.22Å; F217-F249 HydrophobicContact CE2-CE2 4.25Å; F217-F249 VanDerWaalsContact O-CZ 3.29Å; F217-F249 WeakPolarHBondContact O-CZ 3.36Å; F217-V253 HydrophobicContact CE2-CG2 4.48Å
218G98.4Very high97.6Very high0 Ų049.6 Ų49.60%032%0.315CS..  trans-89.2173179.700000114.7T203 G205 D220 V221 V222T203-G218 WeakPolarHBondContact O-CA 3.39Å; G205-G218 PolarHBondContact O-N 3.27Å; G218-D220 VanDerWaalsContact C-N 3.28Å; G218-D220 PolarHBondContact O-N 2.8Å; G218-V221 WeakPolarHBondContact O-CB 3.5Å; G218-V221 PolarHBondContact O-N 2.89Å; G218-V221 VanDerWaalsContact O-N 3.17Å; G218-V222 PolarHBondContact O-N 3.36Å
219S97.9Very high97.7Very high58 Ų5844.7 Ų44.741%0.40629%0.285SS..Hα-helixtrans-58.6-33.1179.557.60000114.5V222 A223S219-V222 PolarHBondContact O-N 3.13Å; S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.4Å
220D98.1Very high97.8Very high47 Ų4749.8 Ų49.825%0.25131%0.311SS..Hα-helixtrans-70.6-34178.461.7-61.7000112.5T204 G205 G218 Q224T204-D220 WeakPolarHBondContact CA-OD1 3.41Å; G205-D220 PolarHBondContact N-OD1 2.99Å; G205-D220 PolarHBondContact N-OD2 3.49Å; G218-D220 VanDerWaalsContact C-N 3.28Å; G218-D220 PolarHBondContact O-N 2.8Å; D220-Q224 VanDerWaalsContact O-CG 3.28Å; D220-Q224 WeakPolarHBondContact O-CG 3.23Å; D220-Q224 PolarHBondContact O-N 3.1Å; D220-Q224 VanDerWaalsContact O-N 3.09Å; D220-Q224 PolarHBondContact O-NE2 2.86Å
221V98.4Very high97.9Very high9 Ų944.8 Ų44.86%0.05528%0.278CS..Hα-helixtrans-65.2-45.3173.6175.50000109.9L167 G205 W206 F217 G218 Q224 F225L167-V221 HydrophobicContact CD1-CG1 3.93Å; G205-V221 WeakPolarHBondContact O-CG2 3.36Å; W206-V221 HydrophobicContact CD2-CG1 4.35Å; W206-V221 HydrophobicContact CD2-CG2 4.21Å; W206-V221 HydrophobicContact CG-CG2 4.4Å; W206-V221 HydrophobicContact CH2-CG1 3.51Å; W206-V221 HydrophobicContact CZ2-CB 4.39Å; W206-V221 HydrophobicContact CZ2-CG1 3.19Å; W206-V221 HydrophobicContact CZ2-CG2 4.31Å; W206-V221 HydrophobicContact CZ3-CG1 4.21Å; F217-V221 HydrophobicContact CB-CB 4.33Å; F217-V221 HydrophobicContact CB-CG1 4.13Å; G218-V221 WeakPolarHBondContact O-CB 3.5Å; G218-V221 PolarHBondContact O-N 2.89Å; G218-V221 VanDerWaalsContact O-N 3.17Å; V221-Q224 PolarHBondContact O-N 3.13Å; V221-F225 WeakPolarHBondContact O-CB 3.45Å; V221-F225 PolarHBondContact O-N 2.8Å
222V98.5Very high98Very high0 Ų044.9 Ų44.90%029%0.286CS..Hα-helixtrans-62.7-46.3177.3175.90000111L167 F217 G218 S219 Q224 F225 N226 I234 F249 V253L167-V222 HydrophobicContact CD1-CG2 4.08Å; F217-V222 HydrophobicContact CD2-CG2 3.68Å; F217-V222 HydrophobicContact CE2-CG2 3.87Å; G218-V222 PolarHBondContact O-N 3.36Å; S219-V222 PolarHBondContact O-N 3.13Å; V222-Q224 VanDerWaalsContact C-N 3.31Å; V222-Q224 PolarHBondContact O-N 3.16Å; V222-F225 PolarHBondContact O-N 2.89Å; V222-N226 WeakPolarHBondContact O-CB 3.32Å; V222-N226 PolarHBondContact O-N 3.04Å; V222-I234 HydrophobicContact CG1-CD1 4.09Å; V222-I234 HydrophobicContact CG2-CD1 4.46Å; V222-F249 HydrophobicContact CB-CD2 4.4Å; V222-F249 HydrophobicContact CG2-CD2 3.79Å; V222-F249 HydrophobicContact CG2-CE2 3.92Å; V222-V253 HydrophobicContact CB-CG2 4.31Å; V222-V253 HydrophobicContact CG1-CG2 3.71Å; V222-V253 HydrophobicContact CG2-CG2 3.69Å
223A98Very high98.2Very high58 Ų5841.6 Ų41.648%0.47925%0.251SS..Hα-helixtrans-59.1-41.9178.800000112.2S219 A227S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.4Å; A223-A227 VanDerWaalsContact O-CB 3.26Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 2.58Å
224Q98.1Very high98.3Very high132 Ų13240.7 Ų40.762%0.61724%0.243SC*.Hα-helixtrans-64.6-46.7175.8-73.1170.645.400112D220 V221 V222 A228D220-Q224 VanDerWaalsContact O-CG 3.28Å; D220-Q224 WeakPolarHBondContact O-CG 3.23Å; D220-Q224 PolarHBondContact O-N 3.1Å; D220-Q224 VanDerWaalsContact O-N 3.09Å; D220-Q224 PolarHBondContact O-NE2 2.86Å; V221-Q224 PolarHBondContact O-N 3.13Å; V222-Q224 VanDerWaalsContact C-N 3.31Å; V222-Q224 PolarHBondContact O-N 3.16Å; Q224-A228 VanDerWaalsContact O-CB 3.31Å; Q224-A228 WeakPolarHBondContact O-CB 3.25Å; Q224-A228 PolarHBondContact O-N 3.43Å
225F98.7Very high98.3Very high10 Ų1040 Ų404%0.04424%0.236CC..Hα-helixtrans-63.4-47179.7-175.2-90.7000111.8F161 L167 I171 L174 V221 V222 A227 A228 N229 I234F161-F225 AromaticContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CZ 4.3Å; F161-F225 HydrophobicContact CE1-CE1 4.17Å; F161-F225 HydrophobicContact CE1-CZ 4.2Å; F161-F225 HydrophobicContact CG-CE1 4.31Å; L167-F225 HydrophobicContact CD1-CB 3.87Å; L167-F225 HydrophobicContact CD1-CD1 4.48Å; L167-F225 HydrophobicContact CD1-CG 4.08Å; L167-F225 HydrophobicContact CD2-CD1 3.8Å; L167-F225 HydrophobicContact CD2-CD2 3.92Å; L167-F225 HydrophobicContact CD2-CE1 3.9Å; L167-F225 HydrophobicContact CD2-CE2 4.01Å; L167-F225 HydrophobicContact CD2-CG 3.8Å; L167-F225 HydrophobicContact CD2-CZ 4Å; I171-F225 HydrophobicContact CG2-CE2 4.27Å; L174-F225 HydrophobicContact CD2-CE1 4.38Å; L174-F225 HydrophobicContact CD2-CZ 3.94Å; V221-F225 WeakPolarHBondContact O-CB 3.45Å; V221-F225 PolarHBondContact O-N 2.8Å; V222-F225 PolarHBondContact O-N 2.89Å; F225-A227 PolarHBondContact O-N 2.68Å; F225-A228 PolarHBondContact O-N 3.15Å; F225-N229 WeakPolarHBondContact O-CB 3.41Å; F225-N229 PolarHBondContact O-N 2.93Å; F225-N229 VanDerWaalsContact O-N 3.14Å; F225-N229 PolarHBondContact O-ND2 3.09Å; F225-I234 HydrophobicContact CD1-CD1 4.27Å
226N98.5Very high98.4Very high13 Ų1335.7 Ų35.77%0.0722%0.219CC..Hα-helixtrans-61.3-45.8179.2-77.611.8000111.4V222 A228 N229 D230 I231V222-N226 WeakPolarHBondContact O-CB 3.32Å; V222-N226 PolarHBondContact O-N 3.04Å; N226-A228 PolarHBondContact O-N 3.35Å; N226-N229 PolarHBondContact O-N 2.92Å; N226-D230 PolarHBondContact O-N 3.43Å; N226-I231 VanDerWaalsContact CB-O 3.3Å; N226-I231 WeakPolarHBondContact CB-O 3.4Å; N226-I231 PolarHBondContact O-N 3.3Å; N226-I231 VanDerWaalsContact O-N 3.08Å
227A98.2Very high98.4Very high84 Ų8434.6 Ų34.669%0.69421%0.213SC*.Hα-helixtrans-63.7-39.6177.400000112.9A223 F225 N229A223-A227 VanDerWaalsContact O-CB 3.26Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 2.58Å; F225-A227 PolarHBondContact O-N 2.68Å; A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.43Å
228A98.3Very high98.4Very high64 Ų6435 Ų3553%0.52922%0.215SC..Hα-helixtrans-68.8-24.4179.300000113.3Q224 F225 N226Q224-A228 VanDerWaalsContact O-CB 3.31Å; Q224-A228 WeakPolarHBondContact O-CB 3.25Å; Q224-A228 PolarHBondContact O-N 3.43Å; F225-A228 PolarHBondContact O-N 3.15Å; N226-A228 PolarHBondContact O-N 3.35Å
229N98.6Very high98.4Very high28 Ų2837.1 Ų37.115%0.1523%0.225CC..Hα-helixtrans-114.32.1-173.9-66-79.9000114.3Q172 T173 L174 F225 N226 A227 I231Q172-N229 PolarHBondContact O-ND2 3.02Å; T173-N229 WeakPolarHBondContact CA-OD1 3.27Å; L174-N229 HydrophobicContact CD1-CB 4.46Å; L174-N229 HydrophobicContact CG-CB 4.24Å; L174-N229 PolarHBondContact N-OD1 3.35Å; F225-N229 WeakPolarHBondContact O-CB 3.41Å; F225-N229 PolarHBondContact O-N 2.93Å; F225-N229 VanDerWaalsContact O-N 3.14Å; F225-N229 PolarHBondContact O-ND2 3.09Å; N226-N229 PolarHBondContact O-N 2.92Å; A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.43Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CG1 3.68Å; N229-I231 PolarHBondContact O-N 3.46Å
230D98.1Very high98.3Very high113 Ų11337.6 Ų37.660%0.60422%0.223SC*.THydrogen-bonded Turntrans54.840.1-175-168.637.9000113.6K159 N226K159-D230 PolarHBondContact NZ-O 3.48Å; K159-D230 IonicContact NZ-OD1 3.71Å; K159-D230 PolarHBondContact NZ-OD1 3.27Å; K159-D230 VanDerWaalsContact NZ-OD1 3.14Å; K159-D230 IonicContact NZ-OD2 2.8Å; K159-D230 PolarHBondContact NZ-OD2 3.38Å; N226-D230 PolarHBondContact O-N 3.43Å
231I98.1Very high98.3Very high9 Ų935.8 Ų35.85%0.04621%0.214CC..  trans-99.6136-179.2-62.3-65.9000109.9I155 K159 F161 L174 N226 N229 M233I155-I231 HydrophobicContact CD1-CD1 3.24Å; I155-I231 HydrophobicContact CG1-CD1 4.41Å; K159-I231 WeakPolarHBondContact O-CG2 3.38Å; F161-I231 HydrophobicContact CB-CD1 4.26Å; F161-I231 HydrophobicContact CB-CG1 4.41Å; F161-I231 HydrophobicContact CB-CG2 3.92Å; L174-I231 HydrophobicContact CD1-CD1 4.13Å; N226-I231 VanDerWaalsContact CB-O 3.3Å; N226-I231 WeakPolarHBondContact CB-O 3.4Å; N226-I231 PolarHBondContact O-N 3.3Å; N226-I231 VanDerWaalsContact O-N 3.08Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CG1 3.68Å; N229-I231 PolarHBondContact O-N 3.46Å; I231-M233 WeakPolarHBondContact CG2-O 3.47Å
232D97.8Very high98.2Very high96 Ų9639.7 Ų39.751%0.51323%0.232SC..SBendtrans-80.7-42.1179.1-65.3-19.3000111.1K159K159-D232 PolarHBondContact O-N 2.89Å
233M98.1Very high98.2Very high5 Ų545.4 Ų45.43%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-154.2159.8179.962.4167.9-69.200113.1I160 F161 I231 C235 W247 T252 L254 K281I160-M233 WeakPolarHBondContact CA-O 3.24Å; I160-M233 HydrophobicContact CB-CG 4.36Å; I160-M233 HydrophobicContact CD1-CG 4.42Å; I160-M233 HydrophobicContact CD1-SD 4.26Å; I160-M233 HydrophobicContact CG1-CG 3.84Å; I160-M233 HydrophobicContact CG1-SD 4.33Å; I160-M233 HydrophobicContact CG2-CG 4.02Å; I160-M233 HydrophobicContact CG2-SD 4.41Å; F161-M233 PolarHBondContact N-O 2.83Å; I231-M233 WeakPolarHBondContact CG2-O 3.47Å; M233-C235 HydrophobicContact CE-CB 4.16Å; M233-W247 HydrophobicContact CE-CH2 3.62Å; M233-W247 HydrophobicContact CE-CZ3 3.58Å; M233-W247 HydrophobicContact SD-CH2 3.77Å; M233-W247 HydrophobicContact SD-CZ3 4.05Å; M233-T252 WeakPolarHBondContact CA-O 3.34Å; M233-L254 HydrophobicContact CE-CB 3.45Å; M233-L254 VanDerWaalsContact CE-CB 3.45Å; M233-L254 HydrophobicContact CE-CD2 3.97Å; M233-L254 HydrophobicContact CE-CG 4.39Å; M233-K281 HydrophobicContact SD-CD 4.16Å; M233-K281 WeakPolarHBondContact SD-CE 3.41Å
234I98.9Very high98.2Very high0 Ų042.7 Ų42.70%024%0.236CC..EExtended strand (participates in β ladder)trans-101129.8169.6-55.5176.1000108.4F161 V163 L167 V222 F225 T252 V253 L254F161-I234 HydrophobicContact CD1-CG1 4.17Å; F161-I234 HydrophobicContact CD1-CG2 4.04Å; F161-I234 CarbonylContact O-C 3.5Å; F161-I234 VanDerWaalsContact O-CA 3.29Å; F161-I234 WeakPolarHBondContact O-CA 3.47Å; V163-I234 HydrophobicContact CG1-CG2 4.25Å; L167-I234 HydrophobicContact CD1-CD1 3.82Å; L167-I234 HydrophobicContact CD2-CD1 3.75Å; L167-I234 HydrophobicContact CG-CD1 3.91Å; V222-I234 HydrophobicContact CG1-CD1 4.09Å; V222-I234 HydrophobicContact CG2-CD1 4.46Å; F225-I234 HydrophobicContact CD1-CD1 4.27Å; I234-T252 PolarHBondContact N-O 2.8Å; I234-V253 HydrophobicContact CB-CG1 4.39Å; I234-V253 HydrophobicContact CB-CG2 4.2Å; I234-V253 HydrophobicContact CD1-CG2 4.42Å; I234-V253 CarbonylContact O-C 3.51Å; I234-V253 VanDerWaalsContact O-CA 3.3Å; I234-V253 WeakPolarHBondContact O-CA 3.18Å; I234-L254 PolarHBondContact O-N 3.27Å
235C98.9Very high98.2Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-109.9126.5170.5-169.40000108.7I160 F161 C162 V163 M233 L254I160-C235 HydrophobicContact CG2-CB 3.89Å; F161-C235 PolarHBondContact O-N 3.25Å; C162-C235 VanDerWaalsContact CA-O 3.23Å; C162-C235 WeakPolarHBondContact CA-O 3.25Å; V163-C235 PolarHBondContact N-O 2.91Å; V163-C235 VanDerWaalsContact N-O 3.08Å; M233-C235 HydrophobicContact CE-CB 4.16Å; C235-L254 CarbonylContact C-O 3.58Å; C235-L254 WeakPolarHBondContact CA-O 3.21Å
236R98.9Very high98.2Very high0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-142.8172.4-174.568.683.256.7158.114.1113.2M80 V163 H164 G165 S198 D199 H238 Q239 V253 L254 T255 V256M80-R236 WeakPolarHBondContact CE-O 3.31Å; V163-R236 HydrophobicContact CG1-CB 4.24Å; V163-R236 WeakPolarHBondContact O-CA 2.96Å; V163-R236 WeakPolarHBondContact O-CB 3.43Å; H164-R236 PolarHBondContact O-NE 2.94Å; G165-R236 VanDerWaalsContact C-NH2 3.34Å; G165-R236 PolarHBondContact O-NE 2.89Å; G165-R236 PolarHBondContact O-NH2 2.68Å; S198-R236 PolarHBondContact O-NH2 2.78Å; D199-R236 IonicContact OD1-CZ 2.8Å; D199-R236 IonicContact OD1-NH1 2.68Å; D199-R236 PolarHBondContact OD1-NH1 3.39Å; D199-R236 VanDerWaalsContact OD1-NH1 3.11Å; D199-R236 IonicContact OD1-NH2 3.85Å; D199-R236 PolarHBondContact OD1-NH2 2.97Å; R236-H238 PolarHBondContact NH2-CD2 2.61Å; R236-Q239 VanDerWaalsContact NH1-CG 3.28Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.15Å; R236-V253 HydrophobicContact CG-CG1 3.97Å; R236-L254 PolarHBondContact N-O 2.93Å; R236-T255 VanDerWaalsContact CD-OG1 3.24Å; R236-T255 WeakPolarHBondContact CD-OG1 3.39Å; R236-T255 CarbonylContact O-C 3.11Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.4Å; R236-V256 PolarHBondContact O-N 3.29Å
237A98.9Very high98.2Very high0 Ų046.6 Ų46.60%025%0.247CC..  trans-123.4-128.8-174.900000111.5D54 M80 H164 Q239 V256D54-A237 WeakPolarHBondContact OD1-CB 3.48Å; M80-A237 HydrophobicContact CB-CB 3.92Å; M80-A237 HydrophobicContact CE-CB 4.07Å; H164-A237 CarbonylContact O-C 3.58Å; H164-A237 PolarHBondContact O-N 2.83Å; A237-Q239 PolarHBondContact O-N 2.97Å; A237-V256 WeakPolarHBondContact CA-O 3.37Å
238H98.6Very high98.2Very high9 Ų943.2 Ų43.24%0.04222%0.217CC..  trans65.7-24.5159.8-17164.1000119D54 N114 H164 D199 R211 R236D54-H238 PolarHBondContact OD1-N 3.35Å; N114-H238 PolarHBondContact OD1-CE1 3.45Å; N114-H238 PolarHBondContact OD1-ND1 3.21Å; H164-H238 AromaticContact CD2-ND1 3.74Å; H164-H238 AromaticContact CE1-ND1 3.99Å; H164-H238 WeakPolarHBondContact NE2-CB 3.11Å; H164-H238 AromaticContact NE2-CG 3.56Å; H164-H238 AromaticContact NE2-ND1 3.05Å; H164-H238 PolarHBondContact NE2-ND1 3.24Å; H164-H238 WeakPolarHBondContact O-CB 3.41Å; D199-H238 IonicContact OD1-CD2 3.66Å; D199-H238 PolarHBondContact OD1-CD2 2.93Å; R211-H238 WeakPolarHBondContact CD-NE2 3.47Å; R211-H238 PolarHBondContact NE-NE2 3.42Å; R211-H238 VanDerWaalsContact NE-NE2 3.15Å; R211-H238 PolarHBondContact NH1-NE2 3.46Å; R211-H238 PolarHBondContact NH2-CD2 3.02Å; R211-H238 PolarHBondContact NH2-NE2 3.08Å; R211-H238 PolarHBondContact NH2-O 3.36Å; R236-H238 PolarHBondContact NH2-CD2 2.61Å
239Q98.1Very high98.1Very high44 Ų4441.1 Ų41.121%0.20620%0.196CC..SBendtrans-108.9121.7173.5-83.8175.9-36.300109.9D199 R211 R236 A237 V241 T255 W257D199-Q239 WeakPolarHBondContact OD1-CG 3.12Å; D199-Q239 PolarHBondContact OD1-NE2 2.84Å; D199-Q239 PolarHBondContact OD2-NE2 3.01Å; D199-Q239 VanDerWaalsContact OD2-NE2 3.16Å; R211-Q239 VanDerWaalsContact NH2-CG 3.26Å; R236-Q239 VanDerWaalsContact NH1-CG 3.28Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.15Å; A237-Q239 PolarHBondContact O-N 2.97Å; Q239-V241 PolarHBondContact O-N 3.13Å; Q239-T255 HydrophobicContact CB-CG2 4.22Å; Q239-T255 WeakPolarHBondContact O-CG2 3.45Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å
240L97.7Very high97.9Very high69 Ų6947.6 Ų47.636%0.36123%0.231SC..  trans-55.8123.9168.9176.567.6000109.7W257 Y262 C266 N268L240-W257 HydrophobicContact CB-CE3 4.45Å; L240-W257 HydrophobicContact CB-CH2 4.28Å; L240-W257 HydrophobicContact CB-CZ2 4.37Å; L240-W257 HydrophobicContact CB-CZ3 4.3Å; L240-W257 HydrophobicContact CD1-CD2 4.05Å; L240-W257 HydrophobicContact CD1-CG 4.38Å; L240-W257 HydrophobicContact CD1-CZ2 3.83Å; L240-Y262 HydrophobicContact CD1-CD1 4.42Å; L240-Y262 HydrophobicContact CD2-CD1 4.35Å; L240-C266 HydrophobicContact CD2-CB 3.99Å; L240-N268 HydrophobicContact CD1-CB 4Å
241V96.8Very high97.9Very high9 Ų948.4 Ų48.46%0.05523%0.231CC..  trans-123.3130.1173.5-70.60000108.7Q239 E243 G244 K246 T255 W257Q239-V241 PolarHBondContact O-N 3.13Å; V241-E243 PolarHBondContact O-N 2.89Å; V241-G244 VanDerWaalsContact CG2-C 3.46Å; V241-G244 PolarHBondContact O-N 3.24Å; V241-K246 HydrophobicContact CB-CB 4.26Å; V241-K246 HydrophobicContact CG1-CB 3.62Å; V241-K246 HydrophobicContact CG1-CD 4.2Å; V241-T255 HydrophobicContact CG1-CG2 3.87Å; V241-T255 HydrophobicContact CG2-CG2 4.32Å; V241-W257 HydrophobicContact CG2-CB 3.56Å; V241-W257 HydrophobicContact CG2-CG 4.49Å
242M97.7Very high97.8Very high91 Ų9149.9 Ų49.945%0.44824%0.24SC..THydrogen-bonded Turntrans-66-31.4-170.1-70.8-57.6-58.300112.4G244 C266 N268 V269M242-G244 VanDerWaalsContact C-N 3.33Å; M242-C266 WeakPolarHBondContact CE-O 3.17Å; M242-N268 HydrophobicContact CE-CB 4.06Å; M242-N268 WeakPolarHBondContact O-CA 3.44Å; M242-N268 HydrophobicContact SD-CB 3.92Å; M242-V269 PolarHBondContact O-N 2.98Å
243E97.6Very high97.9Very high120 Ų12045.3 Ų45.356%0.56122%0.216SC*.THydrogen-bonded Turntrans-88.93.8-178.5-5876.4-168.100113V241 Y245 V269V241-E243 PolarHBondContact O-N 2.89Å; E243-Y245 PolarHBondContact O-N 2.87Å; E243-Y245 VanDerWaalsContact O-N 3.15Å; E243-V269 WeakPolarHBondContact O-CG2 3.32Å
244G97.9Very high97.9Very high0 Ų045 Ų450%022%0.215CC..SBendtrans79.4-22.2-178.200000114.4V241 M242 W257 V269V241-G244 VanDerWaalsContact CG2-C 3.46Å; V241-G244 PolarHBondContact O-N 3.24Å; M242-G244 VanDerWaalsContact C-N 3.33Å; G244-W257 PolarHBondContact O-N 3.35Å; G244-V269 WeakPolarHBondContact CA-O 3.35Å
245Y98.5Very high97.9Very high73 Ų7345 Ų4529%0.28622%0.215SC..EExtended strand (participates in β ladder)trans-146.7159.6168.672.9-83.4000111.9E243 L254 T255 A271 F283 I285E243-Y245 PolarHBondContact O-N 2.87Å; E243-Y245 VanDerWaalsContact O-N 3.15Å; Y245-L254 HydrophobicContact CD2-CD1 3.92Å; Y245-L254 HydrophobicContact CG-CD1 4.5Å; Y245-T255 CarbonylContact C-O 3.58Å; Y245-T255 WeakPolarHBondContact CA-O 3.29Å; Y245-T255 WeakPolarHBondContact CB-O 3.39Å; Y245-A271 HydrophobicContact CD1-CB 4.12Å; Y245-F283 HydrophobicContact CD1-CB 4.43Å; Y245-F283 AromaticContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CE1 4.21Å; Y245-F283 HydrophobicContact CD1-CG 4.15Å; Y245-F283 HydrophobicContact CD2-CD1 4.07Å; Y245-F283 AromaticContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE2 4.4Å; Y245-F283 AromaticContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CE1-CB 4.17Å; Y245-F283 HydrophobicContact CE1-CD1 4.14Å; Y245-F283 HydrophobicContact CE1-CG 4.05Å; Y245-F283 HydrophobicContact CE2-CD1 4.42Å; Y245-F283 HydrophobicContact CE2-CD2 4.36Å; Y245-F283 HydrophobicContact CE2-CE1 4.23Å; Y245-F283 HydrophobicContact CE2-CE2 4.18Å; Y245-F283 HydrophobicContact CE2-CG 4.47Å; Y245-F283 HydrophobicContact CE2-CZ 4.1Å; Y245-F283 AromaticContact CG-CD1 3.73Å; Y245-F283 HydrophobicContact CG-CD1 3.73Å; Y245-F283 AromaticContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CG 4.4Å; Y245-F283 HydrophobicContact CG-CZ 4.33Å; Y245-I285 HydrophobicContact CE1-CD1 4.18Å
246K98.3Very high97.9Very high98 Ų9845 Ų4543%0.42622%0.215SC..EExtended strand (participates in β ladder)trans-148.8130.5176.2-178.1178.1174.5-176.60111.5V241 H248 T255V241-K246 HydrophobicContact CB-CB 4.26Å; V241-K246 HydrophobicContact CG1-CB 3.62Å; V241-K246 HydrophobicContact CG1-CD 4.2Å; K246-H248 PolarHBondContact O-CD2 3.37Å; K246-T255 PolarHBondContact N-O 2.99Å; K246-T255 PolarHBondContact O-N 2.88Å
247W98.2Very high97.9Very high66 Ų6645.2 Ų45.225%0.2522%0.216CC..EExtended strand (participates in β ladder)trans-84.6141.9168-71108.2000111.3M233 E251 V253 L254 K281 F283M233-W247 HydrophobicContact CE-CH2 3.62Å; M233-W247 HydrophobicContact CE-CZ3 3.58Å; M233-W247 HydrophobicContact SD-CH2 3.77Å; M233-W247 HydrophobicContact SD-CZ3 4.05Å; W247-E251 HydrophobicContact CB-CG 4.17Å; W247-E251 HydrophobicContact CD2-CB 3.99Å; W247-E251 HydrophobicContact CD2-CG 3.99Å; W247-E251 VanDerWaalsContact CE3-CA 3.43Å; W247-E251 HydrophobicContact CE3-CB 3.73Å; W247-E251 HydrophobicContact CE3-CG 4.25Å; W247-E251 HydrophobicContact CG-CB 4.45Å; W247-E251 HydrophobicContact CG-CG 3.98Å; W247-E251 HydrophobicContact CZ3-CB 4.06Å; W247-E251 WeakPolarHBondContact CZ3-O 3.37Å; W247-V253 CarbonylContact C-O 3.54Å; W247-V253 WeakPolarHBondContact CA-O 3.49Å; W247-L254 HydrophobicContact CD2-CB 4.37Å; W247-L254 HydrophobicContact CD2-CD1 3.83Å; W247-L254 HydrophobicContact CE3-CB 3.78Å; W247-L254 HydrophobicContact CE3-CD1 4.12Å; W247-L254 HydrophobicContact CG-CD1 4.28Å; W247-L254 HydrophobicContact CH2-CB 4.06Å; W247-L254 HydrophobicContact CH2-CD1 4.45Å; W247-L254 HydrophobicContact CH2-CD2 4.2Å; W247-L254 HydrophobicContact CH2-CG 4.48Å; W247-L254 HydrophobicContact CZ2-CD1 4.13Å; W247-L254 HydrophobicContact CZ2-CD2 4.27Å; W247-L254 HydrophobicContact CZ3-CB 3.64Å; W247-L254 HydrophobicContact CZ3-CD1 4.46Å; W247-L254 HydrophobicContact CZ3-CG 4.46Å; W247-K281 HydrophobicContact CH2-CD 3.99Å; W247-K281 HydrophobicContact CZ2-CD 4.13Å; W247-F283 HydrophobicContact CZ2-CE2 4.38Å; W247-F283 HydrophobicContact CZ2-CZ 4.02Å
248H98.1Very high97.9Very high13 Ų1345.3 Ų45.36%0.0622%0.216CC..EExtended strand (participates in β ladder)trans-124.4157.4172.7-50-113.3000109.6P200 K246 N250 E251 T252 V253 T255P200-H248 HydrophobicContact CB-CB 4.46Å; P200-H248 VanDerWaalsContact CG-CE1 3.5Å; P200-H248 WeakPolarHBondContact CG-CE1 3.47Å; K246-H248 PolarHBondContact O-CD2 3.37Å; H248-N250 PolarHBondContact O-N 3.16Å; H248-E251 PolarHBondContact O-N 3.29Å; H248-E251 VanDerWaalsContact O-N 3.13Å; H248-T252 PolarHBondContact O-N 2.87Å; H248-V253 HydrophobicContact CB-CB 4.17Å; H248-V253 PolarHBondContact N-O 2.98Å; H248-V253 PolarHBondContact O-N 2.94Å; H248-T255 PolarHBondContact NE2-OG1 3.05Å
249F97.1Very high97.9Very high21 Ų2144.9 Ų44.99%0.09221%0.214CC..THydrogen-bonded Turntrans51.355.5167.3-46.3-37.9000114.6P200 E201 F217 V222 E251 T252 V253P200-F249 HydrophobicContact CB-CE2 3.62Å; P200-F249 HydrophobicContact CB-CZ 3.72Å; E201-F249 VanDerWaalsContact O-CE1 3.23Å; E201-F249 WeakPolarHBondContact O-CE1 3.46Å; E201-F249 VanDerWaalsContact O-CZ 3.23Å; E201-F249 WeakPolarHBondContact O-CZ 3.43Å; F217-F249 HydrophobicContact CD2-CE2 4.22Å; F217-F249 HydrophobicContact CE2-CE2 4.25Å; F217-F249 VanDerWaalsContact O-CZ 3.29Å; F217-F249 WeakPolarHBondContact O-CZ 3.36Å; V222-F249 HydrophobicContact CB-CD2 4.4Å; V222-F249 HydrophobicContact CG2-CD2 3.79Å; V222-F249 HydrophobicContact CG2-CE2 3.92Å; F249-E251 VanDerWaalsContact C-N 3.35Å; F249-E251 PolarHBondContact O-N 2.91Å; F249-T252 WeakPolarHBondContact CB-OG1 3.45Å; F249-T252 PolarHBondContact O-N 3.5Å; F249-T252 PolarHBondContact O-OG1 2.83Å; F249-V253 HydrophobicContact CD2-CB 4.39Å; F249-V253 HydrophobicContact CD2-CG2 3.8Å; F249-V253 HydrophobicContact CE2-CG2 4.3Å
250N94.6Very high97.9Very high163 Ų16342.8 Ų42.887%0.87220%0.204SC*.THydrogen-bonded Turntrans53.848.5-177.3-57.7-31.9000112.9H248 T252H248-N250 PolarHBondContact O-N 3.16Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 3.32Å
251E96.6Very high97.8Very high130 Ų13041.6 Ų41.661%0.60720%0.198SC*.THydrogen-bonded Turntrans65.124.1175.4-53.9-179.9176.800115W247 H248 F249W247-E251 HydrophobicContact CB-CG 4.17Å; W247-E251 HydrophobicContact CD2-CB 3.99Å; W247-E251 HydrophobicContact CD2-CG 3.99Å; W247-E251 VanDerWaalsContact CE3-CA 3.43Å; W247-E251 HydrophobicContact CE3-CB 3.73Å; W247-E251 HydrophobicContact CE3-CG 4.25Å; W247-E251 HydrophobicContact CG-CB 4.45Å; W247-E251 HydrophobicContact CG-CG 3.98Å; W247-E251 HydrophobicContact CZ3-CB 4.06Å; W247-E251 WeakPolarHBondContact CZ3-O 3.37Å; H248-E251 PolarHBondContact O-N 3.29Å; H248-E251 VanDerWaalsContact O-N 3.13Å; F249-E251 VanDerWaalsContact C-N 3.35Å; F249-E251 PolarHBondContact O-N 2.91Å
252T97.8Very high97.7Very high40 Ų4042.4 Ų42.425%0.24520%0.201CC..THydrogen-bonded Turntrans-92.4-16.6175.357.40000113.4M233 I234 H248 F249 N250M233-T252 WeakPolarHBondContact CA-O 3.34Å; I234-T252 PolarHBondContact N-O 2.8Å; H248-T252 PolarHBondContact O-N 2.87Å; F249-T252 WeakPolarHBondContact CB-OG1 3.45Å; F249-T252 PolarHBondContact O-N 3.5Å; F249-T252 PolarHBondContact O-OG1 2.83Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 3.32Å
253V98.8Very high97.3Very high0 Ų038.6 Ų38.60%018%0.183CC..EExtended strand (participates in β ladder)trans-130.4130.8171.5-176.20000109.6F217 V222 I234 R236 W247 H248 F249F217-V253 HydrophobicContact CE2-CG2 4.48Å; V222-V253 HydrophobicContact CB-CG2 4.31Å; V222-V253 HydrophobicContact CG1-CG2 3.71Å; V222-V253 HydrophobicContact CG2-CG2 3.69Å; I234-V253 HydrophobicContact CB-CG1 4.39Å; I234-V253 HydrophobicContact CB-CG2 4.2Å; I234-V253 HydrophobicContact CD1-CG2 4.42Å; I234-V253 CarbonylContact O-C 3.51Å; I234-V253 VanDerWaalsContact O-CA 3.3Å; I234-V253 WeakPolarHBondContact O-CA 3.18Å; R236-V253 HydrophobicContact CG-CG1 3.97Å; W247-V253 CarbonylContact C-O 3.54Å; W247-V253 WeakPolarHBondContact CA-O 3.49Å; H248-V253 HydrophobicContact CB-CB 4.17Å; H248-V253 PolarHBondContact N-O 2.98Å; H248-V253 PolarHBondContact O-N 2.94Å; F249-V253 HydrophobicContact CD2-CB 4.39Å; F249-V253 HydrophobicContact CD2-CG2 3.8Å; F249-V253 HydrophobicContact CE2-CG2 4.3Å
254L98.8Very high96.9Very high0 Ų036.1 Ų36.10%017%0.169CC..EExtended strand (participates in β ladder)trans-113.9125.1174.2177.564.5000109.5M233 I234 C235 R236 Y245 W247 V256 L273 F283M233-L254 HydrophobicContact CE-CB 3.45Å; M233-L254 VanDerWaalsContact CE-CB 3.45Å; M233-L254 HydrophobicContact CE-CD2 3.97Å; M233-L254 HydrophobicContact CE-CG 4.39Å; I234-L254 PolarHBondContact O-N 3.27Å; C235-L254 CarbonylContact C-O 3.58Å; C235-L254 WeakPolarHBondContact CA-O 3.21Å; R236-L254 PolarHBondContact N-O 2.93Å; Y245-L254 HydrophobicContact CD2-CD1 3.92Å; Y245-L254 HydrophobicContact CG-CD1 4.5Å; W247-L254 HydrophobicContact CD2-CB 4.37Å; W247-L254 HydrophobicContact CD2-CD1 3.83Å; W247-L254 HydrophobicContact CE3-CB 3.78Å; W247-L254 HydrophobicContact CE3-CD1 4.12Å; W247-L254 HydrophobicContact CG-CD1 4.28Å; W247-L254 HydrophobicContact CH2-CB 4.06Å; W247-L254 HydrophobicContact CH2-CD1 4.45Å; W247-L254 HydrophobicContact CH2-CD2 4.2Å; W247-L254 HydrophobicContact CH2-CG 4.48Å; W247-L254 HydrophobicContact CZ2-CD1 4.13Å; W247-L254 HydrophobicContact CZ2-CD2 4.27Å; W247-L254 HydrophobicContact CZ3-CB 3.64Å; W247-L254 HydrophobicContact CZ3-CD1 4.46Å; W247-L254 HydrophobicContact CZ3-CG 4.46Å; L254-V256 HydrophobicContact CD2-CG2 3.8Å; L254-V256 HydrophobicContact CG-CG2 3.83Å; L254-L273 HydrophobicContact CD2-CD1 4.36Å; L254-L273 HydrophobicContact CD2-CD2 3.79Å; L254-L273 HydrophobicContact CD2-CG 4.49Å; L254-F283 HydrophobicContact CD1-CE1 3.91Å; L254-F283 HydrophobicContact CD1-CZ 3.83Å; L254-F283 HydrophobicContact CD2-CE1 3.76Å; L254-F283 HydrophobicContact CD2-CZ 3.74Å; L254-F283 HydrophobicContact CG-CE1 4.41Å; L254-F283 HydrophobicContact CG-CZ 4.45Å
255T98.9Very high96.5Very high0 Ų043.1 Ų43.10%020%0.195CC..EExtended strand (participates in β ladder)trans-93.8126.5165.4-62.70000108.8R236 Q239 V241 Y245 K246 H248R236-T255 VanDerWaalsContact CD-OG1 3.24Å; R236-T255 WeakPolarHBondContact CD-OG1 3.39Å; R236-T255 CarbonylContact O-C 3.11Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.4Å; Q239-T255 HydrophobicContact CB-CG2 4.22Å; Q239-T255 WeakPolarHBondContact O-CG2 3.45Å; V241-T255 HydrophobicContact CG1-CG2 3.87Å; V241-T255 HydrophobicContact CG2-CG2 4.32Å; Y245-T255 CarbonylContact C-O 3.58Å; Y245-T255 WeakPolarHBondContact CA-O 3.29Å; Y245-T255 WeakPolarHBondContact CB-O 3.39Å; K246-T255 PolarHBondContact N-O 2.99Å; K246-T255 PolarHBondContact O-N 2.88Å; H248-T255 PolarHBondContact NE2-OG1 3.05Å
256V98.8Very high96.3Very high0 Ų041.7 Ų41.70%020%0.196CC..EExtended strand (participates in β ladder)trans-115.9135.3174.8-176.10000109.2M80 R236 A237 L254 L273M80-V256 HydrophobicContact CE-CB 3.85Å; M80-V256 HydrophobicContact CE-CG2 4.22Å; R236-V256 PolarHBondContact O-N 3.29Å; A237-V256 WeakPolarHBondContact CA-O 3.37Å; L254-V256 HydrophobicContact CD2-CG2 3.8Å; L254-V256 HydrophobicContact CG-CG2 3.83Å; V256-L273 HydrophobicContact CG2-CB 4.36Å
257W98.7Very high96.1Very high4 Ų439.7 Ų39.72%0.01520%0.202CC..  trans-130.3123.6-179.4-175.7-88000110.9D54 H56 Q239 L240 V241 G244 A259 Y262 N268 A270 A271D54-W257 HydrophobicContact CB-CD2 4.41Å; D54-W257 HydrophobicContact CB-CE3 4.03Å; D54-W257 HydrophobicContact CB-CH2 3.95Å; D54-W257 HydrophobicContact CB-CZ2 4.33Å; D54-W257 HydrophobicContact CB-CZ3 3.8Å; D54-W257 VanDerWaalsContact CG-CZ3 3.43Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.18Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.43Å; H56-W257 AromaticContact CD2-CH2 3.98Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å; L240-W257 HydrophobicContact CB-CE3 4.45Å; L240-W257 HydrophobicContact CB-CH2 4.28Å; L240-W257 HydrophobicContact CB-CZ2 4.37Å; L240-W257 HydrophobicContact CB-CZ3 4.3Å; L240-W257 HydrophobicContact CD1-CD2 4.05Å; L240-W257 HydrophobicContact CD1-CG 4.38Å; L240-W257 HydrophobicContact CD1-CZ2 3.83Å; V241-W257 HydrophobicContact CG2-CB 3.56Å; V241-W257 HydrophobicContact CG2-CG 4.49Å; G244-W257 PolarHBondContact O-N 3.35Å; W257-A259 HydrophobicContact CZ2-CB 4.17Å; W257-A259 PolarHBondContact NE1-O 2.96Å; W257-Y262 HydrophobicContact CH2-CD1 4.39Å; W257-Y262 HydrophobicContact CH2-CD2 4.42Å; W257-Y262 HydrophobicContact CH2-CE1 4.25Å; W257-Y262 HydrophobicContact CH2-CE2 4.3Å; W257-Y262 HydrophobicContact CH2-CG 4.44Å; W257-Y262 AromaticContact CZ2-CD1 3.91Å; W257-Y262 HydrophobicContact CZ2-CD1 3.91Å; W257-Y262 AromaticContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CE1 4.19Å; W257-Y262 AromaticContact CZ2-CE2 3.98Å; W257-Y262 HydrophobicContact CZ2-CE2 3.98Å; W257-Y262 AromaticContact CZ2-CG 3.6Å; W257-Y262 HydrophobicContact CZ2-CG 3.6Å; W257-N268 VanDerWaalsContact CD1-ND2 3.29Å; W257-N268 PolarHBondContact NE1-ND2 3.17Å; W257-A270 CarbonylContact O-C 3.49Å; W257-A270 WeakPolarHBondContact O-CA 2.88Å; W257-A271 PolarHBondContact O-N 3.38Å
258S98.8Very high96.1Very high2 Ų236.8 Ų36.81%0.01419%0.192CC..  trans-114.811.4-170.3-58.80000114.4G53 D54 P260 A271G53-S258 PolarHBondContact N-OG 2.76Å; D54-S258 CarbonylContact O-C 3.57Å; D54-S258 WeakPolarHBondContact O-CA 3.36Å; D54-S258 WeakPolarHBondContact O-CB 3.15Å; D54-S258 PolarHBondContact O-N 2.98Å; S258-P260 WeakPolarHBondContact O-CD 3.44Å; S258-A271 PolarHBondContact OG-O 3.27Å
259A98.3Very high96.1Very high0 Ų037.9 Ų37.90%020%0.199CC..  trans-11091.7177.700000111.6D54 W257 Y262 N268D54-A259 WeakPolarHBondContact O-CB 3.37Å; D54-A259 PolarHBondContact O-N 2.95Å; W257-A259 HydrophobicContact CZ2-CB 4.17Å; W257-A259 PolarHBondContact NE1-O 2.96Å; A259-Y262 HydrophobicContact CB-CD2 4.31Å; A259-N268 PolarHBondContact O-ND2 2.81Å
260P97.5Very high96.1Very high0 Ų036.9 Ų36.90%020%0.195CC..THydrogen-bonded Turntrans-71.8149-176.130.6-34.9000111.3Q58 D61 S258 Y262 A270 F286 A288Q58-P260 PolarHBondContact NE2-O 3.25Å; D61-P260 HydrophobicContact CB-CG 3.76Å; S258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-Y262 VanDerWaalsContact C-N 3.27Å; P260-Y262 PolarHBondContact O-N 3.09Å; P260-A270 HydrophobicContact CB-CB 3.71Å; P260-A270 VanDerWaalsContact CD-CB 3.49Å; P260-A270 HydrophobicContact CG-CB 3.97Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 3.99Å; P260-A288 HydrophobicContact CB-CB 4.18Å; P260-A288 HydrophobicContact CG-CB 4.26Å
261N95.3Very high96.3Very high43 Ų4329.1 Ų29.123%0.2315%0.154CC..THydrogen-bonded Turntrans42.855.5-172.8-174.628.2000111.7Y264 R265 C266 G267 N268 A288N261-Y264 WeakPolarHBondContact O-CA 3.22Å; N261-Y264 PolarHBondContact O-N 2.76Å; N261-R265 PolarHBondContact OD1-N 3.22Å; N261-C266 PolarHBondContact OD1-N 3.45Å; N261-G267 PolarHBondContact OD1-N 3.22Å; N261-N268 PolarHBondContact N-O 3.39Å; N261-N268 PolarHBondContact N-OD1 3.38Å; N261-A288 HydrophobicContact CB-CB 3.9Å
262Y95.1Very high96.4Very high27 Ų2723 Ų2311%0.10613%0.125CC..G310 helixtrans-50.7141.1-172.3177.5-125.4000112.3H56 R86 L240 W257 A259 P260 Y264 R265 C266 N268H56-Y262 HydrophobicContact CB-CD2 4.46Å; H56-Y262 HydrophobicContact CB-CE2 3.81Å; H56-Y262 AromaticContact CD2-CE2 3.17Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.29Å; H56-Y262 AromaticContact CD2-CZ 3.61Å; H56-Y262 PolarHBondContact CD2-OH 3.2Å; H56-Y262 AromaticContact CG-CE2 3.66Å; H56-Y262 AromaticContact NE2-CE2 3.82Å; H56-Y262 AromaticContact NE2-CZ 3.76Å; H56-Y262 PolarHBondContact NE2-OH 2.93Å; R86-Y262 HydrophobicContact CB-CE2 4.19Å; R86-Y262 HydrophobicContact CG-CE2 4.17Å; R86-Y262 WeakPolarHBondContact CG-OH 3.33Å; L240-Y262 HydrophobicContact CD1-CD1 4.42Å; L240-Y262 HydrophobicContact CD2-CD1 4.35Å; W257-Y262 HydrophobicContact CH2-CD1 4.39Å; W257-Y262 HydrophobicContact CH2-CD2 4.42Å; W257-Y262 HydrophobicContact CH2-CE1 4.25Å; W257-Y262 HydrophobicContact CH2-CE2 4.3Å; W257-Y262 HydrophobicContact CH2-CG 4.44Å; W257-Y262 AromaticContact CZ2-CD1 3.91Å; W257-Y262 HydrophobicContact CZ2-CD1 3.91Å; W257-Y262 AromaticContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CE1 4.19Å; W257-Y262 AromaticContact CZ2-CE2 3.98Å; W257-Y262 HydrophobicContact CZ2-CE2 3.98Å; W257-Y262 AromaticContact CZ2-CG 3.6Å; W257-Y262 HydrophobicContact CZ2-CG 3.6Å; A259-Y262 HydrophobicContact CB-CD2 4.31Å; P260-Y262 VanDerWaalsContact C-N 3.27Å; P260-Y262 PolarHBondContact O-N 3.09Å; Y262-Y264 PolarHBondContact O-N 3.07Å; Y262-R265 PolarHBondContact O-N 2.68Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 3.42Å; Y262-C266 PolarHBondContact O-SG 2.97Å; Y262-C266 VanDerWaalsContact O-SG 3.35Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.42Å; Y262-N268 PolarHBondContact N-OD1 2.85Å
263C90.1Very high96.5Very high11 Ų1121 Ų217%0.07411%0.113CC..G310 helixtrans5322.7-174.2-73.60000113.4R265 F306C263-R265 HydrophobicContact CB-CG 4.05Å; C263-R265 PolarHBondContact O-N 2.95Å; C263-F306 HydrophobicContact CB-CD1 3.88Å
264Y88.9Confident96.5Very high67 Ų6723.6 Ų23.626%0.26313%0.125SC..G310 helixtrans61.818.4-177.1-42.7-65.4000114.7G87 F88 N261 Y262 F306G87-Y264 WeakPolarHBondContact CA-OH 3.16Å; F88-Y264 HydrophobicContact CD2-CD2 4.42Å; F88-Y264 AromaticContact CD2-CE2 3.45Å; F88-Y264 HydrophobicContact CD2-CE2 3.45Å; F88-Y264 VanDerWaalsContact CD2-CE2 3.45Å; F88-Y264 AromaticContact CD2-CZ 3.69Å; F88-Y264 WeakPolarHBondContact CD2-OH 3.46Å; F88-Y264 AromaticContact CE2-CD2 3.85Å; F88-Y264 HydrophobicContact CE2-CD2 3.85Å; F88-Y264 AromaticContact CE2-CE2 3.28Å; F88-Y264 HydrophobicContact CE2-CE2 3.28Å; F88-Y264 AromaticContact CE2-CZ 3.97Å; F88-Y264 HydrophobicContact CG-CE2 4.46Å; F88-Y264 HydrophobicContact CZ-CE2 4.2Å; F88-Y264 PolarHBondContact N-OH 3.16Å; N261-Y264 WeakPolarHBondContact O-CA 3.22Å; N261-Y264 PolarHBondContact O-N 2.76Å; Y262-Y264 PolarHBondContact O-N 3.07Å; Y264-F306 AromaticContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CZ 4.14Å; Y264-F306 AromaticContact CE2-CE1 3.66Å; Y264-F306 HydrophobicContact CE2-CE1 3.66Å; Y264-F306 AromaticContact CE2-CZ 3.8Å; Y264-F306 HydrophobicContact CE2-CZ 3.8Å
265R90.6Very high96.5Very high147 Ų14723.8 Ų23.856%0.55513%0.126SC*.THydrogen-bonded Turntrans-144.3-22-172.365.3-176.1-76.2-154.8-4.9115.9N261 Y262 C263 G267 F306N261-R265 PolarHBondContact OD1-N 3.22Å; Y262-R265 PolarHBondContact O-N 2.68Å; C263-R265 HydrophobicContact CB-CG 4.05Å; C263-R265 PolarHBondContact O-N 2.95Å; R265-G267 VanDerWaalsContact C-N 3.32Å; R265-G267 PolarHBondContact O-N 3.31Å; R265-F306 PolarHBondContact NH1-O 2.96Å
266C92.7Very high96.4Very high44 Ų4426.9 Ų26.930%0.29714%0.143SC..SBendtrans-72.5-25-172.2-70.30000113.3L240 M242 N261 Y262 N268L240-C266 HydrophobicContact CD2-CB 3.99Å; M242-C266 WeakPolarHBondContact CE-O 3.17Å; N261-C266 PolarHBondContact OD1-N 3.45Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 3.42Å; Y262-C266 PolarHBondContact O-SG 2.97Å; Y262-C266 VanDerWaalsContact O-SG 3.35Å; C266-N268 WeakPolarHBondContact CB-OD1 3.46Å; C266-N268 PolarHBondContact O-N 3.21Å
267G94.7Very high96.3Very high55 Ų5533.5 Ų33.557%0.56717%0.173SC*.  trans69.310.8177.900000115.5N261 R265N261-G267 PolarHBondContact OD1-N 3.22Å; R265-G267 VanDerWaalsContact C-N 3.32Å; R265-G267 PolarHBondContact O-N 3.31Å
268N97.9Very high96.2Very high5 Ų540 Ų403%0.02720%0.204CC..  trans-70155.8172.565.5-71.8000111.7L240 M242 W257 A259 N261 Y262 C266L240-N268 HydrophobicContact CD1-CB 4Å; M242-N268 HydrophobicContact CE-CB 4.06Å; M242-N268 WeakPolarHBondContact O-CA 3.44Å; M242-N268 HydrophobicContact SD-CB 3.92Å; W257-N268 VanDerWaalsContact CD1-ND2 3.29Å; W257-N268 PolarHBondContact NE1-ND2 3.17Å; A259-N268 PolarHBondContact O-ND2 2.81Å; N261-N268 PolarHBondContact N-O 3.39Å; N261-N268 PolarHBondContact N-OD1 3.38Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.42Å; Y262-N268 PolarHBondContact N-OD1 2.85Å; C266-N268 WeakPolarHBondContact CB-OD1 3.46Å; C266-N268 PolarHBondContact O-N 3.21Å
269V97.8Very high96.1Very high37 Ų3741.3 Ų41.322%0.22421%0.21CC..  trans-84.9170.6161.2-59.60000110M242 E243 G244 I285 E287M242-V269 PolarHBondContact O-N 2.98Å; E243-V269 WeakPolarHBondContact O-CG2 3.32Å; G244-V269 WeakPolarHBondContact CA-O 3.35Å; V269-I285 HydrophobicContact CB-CG2 3.9Å; V269-I285 HydrophobicContact CG1-CG2 4.49Å; V269-I285 HydrophobicContact CG2-CG2 3.62Å; V269-E287 HydrophobicContact CG1-CG 4.3Å
270A98.6Very high96.1Very high0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-114.8158.1171.300000110.7W257 P260 I285 F286W257-A270 CarbonylContact O-C 3.49Å; W257-A270 WeakPolarHBondContact O-CA 2.88Å; P260-A270 HydrophobicContact CB-CB 3.71Å; P260-A270 VanDerWaalsContact CD-CB 3.49Å; P260-A270 HydrophobicContact CG-CB 3.97Å; A270-I285 CarbonylContact O-C 3.57Å; A270-I285 WeakPolarHBondContact O-CA 3.4Å; A270-F286 HydrophobicContact CB-CD1 4.08Å; A270-F286 HydrophobicContact CB-CD2 4.13Å; A270-F286 HydrophobicContact CB-CE1 3.59Å; A270-F286 HydrophobicContact CB-CE2 3.66Å; A270-F286 HydrophobicContact CB-CG 4.33Å; A270-F286 HydrophobicContact CB-CZ 3.36Å; A270-F286 PolarHBondContact N-O 2.63Å; A270-F286 PolarHBondContact O-N 3.42Å
271A98.6Very high96.1Very high0 Ų051.7 Ų51.70%026%0.257CS..EExtended strand (participates in β ladder)trans-135.7159.2172.600000111.5Y245 W257 S258 I284 I285Y245-A271 HydrophobicContact CD1-CB 4.12Å; W257-A271 PolarHBondContact O-N 3.38Å; S258-A271 PolarHBondContact OG-O 3.27Å; A271-I284 VanDerWaalsContact CA-O 3.28Å; A271-I284 WeakPolarHBondContact CA-O 3.37Å; A271-I285 HydrophobicContact CB-CG1 4.49Å
272I98.7Very high96.2Very high0 Ų054.5 Ų54.50%027%0.272CS..EExtended strand (participates in β ladder)trans-126.3147.7161.254.3-176.8000108.1T50 C52 L65 V68 F283 I284 F286T50-I272 HydrophobicContact CG2-CB 3.9Å; T50-I272 HydrophobicContact CG2-CD1 3.79Å; T50-I272 HydrophobicContact CG2-CG1 4.16Å; T50-I272 HydrophobicContact CG2-CG2 4.44Å; C52-I272 HydrophobicContact CB-CG2 4.32Å; L65-I272 HydrophobicContact CD1-CG2 3.82Å; L65-I272 HydrophobicContact CD2-CG2 4.36Å; L65-I272 HydrophobicContact CG-CG2 3.75Å; V68-I272 HydrophobicContact CG2-CD1 4.01Å; I272-F283 WeakPolarHBondContact O-CA 2.77Å; I272-I284 HydrophobicContact CD1-CB 4.08Å; I272-I284 HydrophobicContact CD1-CD1 4.4Å; I272-I284 HydrophobicContact CD1-CG2 4.46Å; I272-I284 HydrophobicContact CG1-CB 3.73Å; I272-I284 HydrophobicContact CG1-CG2 4.45Å; I272-I284 PolarHBondContact N-O 3Å; I272-I284 PolarHBondContact O-N 2.97Å; I272-I284 VanDerWaalsContact O-N 3.08Å; I272-F286 HydrophobicContact CG2-CE1 4.21Å
273L98.8Very high96.4Very high0 Ų055.1 Ų55.10%028%0.276CS..EExtended strand (participates in β ladder)trans-99119.8175166.771.6000108.6T50 V51 L254 V256 L275 K281 F283T50-L273 CarbonylContact C-O 3.55Å; T50-L273 WeakPolarHBondContact CA-O 3.12Å; V51-L273 HydrophobicContact CB-CB 4.2Å; V51-L273 HydrophobicContact CB-CD2 4.3Å; V51-L273 HydrophobicContact CG2-CD2 4.31Å; V51-L273 PolarHBondContact N-O 3.36Å; V51-L273 PolarHBondContact O-N 2.88Å; L254-L273 HydrophobicContact CD2-CD1 4.36Å; L254-L273 HydrophobicContact CD2-CD2 3.79Å; L254-L273 HydrophobicContact CD2-CG 4.49Å; V256-L273 HydrophobicContact CG2-CB 4.36Å; L273-L275 HydrophobicContact CD1-CD2 4.36Å; L273-L275 HydrophobicContact CD2-CD1 4.29Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.18Å; L273-L275 HydrophobicContact CG-CD2 4.35Å; L273-L275 HydrophobicContact CG-CG 4.18Å; L273-K281 HydrophobicContact CD1-CB 3.81Å; L273-K281 HydrophobicContact CD1-CG 4.07Å; L273-F283 HydrophobicContact CB-CE1 4.32Å; L273-F283 HydrophobicContact CD1-CD1 4.37Å; L273-F283 HydrophobicContact CD1-CE1 3.93Å; L273-F283 HydrophobicContact CD1-CE2 4.37Å; L273-F283 HydrophobicContact CD1-CZ 3.94Å
274E98.7Very high96.8Very high53 Ų5356.4 Ų56.425%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-95128.5169.9-62.2-166.114900109.7T50 K281 D282 I284T50-E274 HydrophobicContact CG2-CG 4.29Å; E274-K281 WeakPolarHBondContact O-CA 3.47Å; E274-D282 PolarHBondContact N-O 2.86Å; E274-D282 PolarHBondContact O-N 2.85Å; E274-I284 HydrophobicContact CG-CD1 4.17Å; E274-I284 HydrophobicContact CG-CG1 4.39Å; E274-I284 WeakPolarHBondContact OE1-CD1 3.19Å
275L98.7Very high97.2Very high4 Ų457.7 Ų57.72%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-112.7119.5172-65.7169.4000108.4P48 V49 V51 I156 I160 L273 L279 Q280 K281P48-L275 CarbonylContact C-O 3.44Å; P48-L275 WeakPolarHBondContact CA-O 3.16Å; P48-L275 WeakPolarHBondContact CB-O 3.19Å; V49-L275 HydrophobicContact CG1-CB 4.21Å; V49-L275 HydrophobicContact CG1-CD1 4.09Å; V49-L275 PolarHBondContact N-O 3.41Å; V49-L275 PolarHBondContact O-N 3.17Å; V51-L275 HydrophobicContact CG2-CD1 4.13Å; I156-L275 HydrophobicContact CD1-CD1 3.61Å; I156-L275 HydrophobicContact CG2-CD1 4.17Å; I160-L275 HydrophobicContact CD1-CD1 3.66Å; I160-L275 HydrophobicContact CD1-CD2 3.86Å; I160-L275 HydrophobicContact CD1-CG 4.44Å; L273-L275 HydrophobicContact CD1-CD2 4.36Å; L273-L275 HydrophobicContact CD2-CD1 4.29Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.18Å; L273-L275 HydrophobicContact CG-CD2 4.35Å; L273-L275 HydrophobicContact CG-CG 4.18Å; L275-L279 HydrophobicContact CB-CD2 4.49Å; L275-L279 HydrophobicContact CD1-CD2 4.48Å; L275-Q280 WeakPolarHBondContact CA-O 3.34Å; L275-K281 HydrophobicContact CD2-CB 4.46Å; L275-K281 HydrophobicContact CD2-CG 3.6Å
276D97.9Very high97.6Very high66 Ų6651.1 Ų51.135%0.35327%0.267SS..  trans-78.2-179.5173.677.3-0.9000112.2S47 H278 L279 Q280S47-D276 VanDerWaalsContact CB-O 3.25Å; S47-D276 WeakPolarHBondContact CB-O 3.22Å; S47-D276 PolarHBondContact OG-O 3.04Å; D276-H278 PolarHBondContact O-N 2.98Å; D276-H278 VanDerWaalsContact OD1-C 3.23Å; D276-H278 VanDerWaalsContact OD1-CA 3.3Å; D276-H278 WeakPolarHBondContact OD1-CA 3.26Å; D276-H278 WeakPolarHBondContact OD1-CB 3.41Å; D276-H278 PolarHBondContact OD1-N 2.84Å; D276-L279 PolarHBondContact O-N 3.36Å; D276-L279 PolarHBondContact OD1-N 3.06Å; D276-Q280 PolarHBondContact N-O 2.94Å; D276-Q280 WeakPolarHBondContact OD1-CB 3.42Å; D276-Q280 PolarHBondContact OD1-N 3.17Å; D276-Q280 WeakPolarHBondContact OD2-CB 3.48Å
277E96.5Very high97.8Very high139 Ų13956.2 Ų56.265%0.6529%0.287SS*.THydrogen-bonded Turntrans-59-7.6177.6-62.6161.8-168.900114.4P48P48-E277 HydrophobicContact CG-CG 4.31Å
278H97.1Very high97.7Very high141 Ų14155.3 Ų55.365%0.65327%0.274SS*.THydrogen-bonded Turntrans-121.515179.8-59-31.7000112.3D276 Q280D276-H278 PolarHBondContact O-N 2.98Å; D276-H278 VanDerWaalsContact OD1-C 3.23Å; D276-H278 VanDerWaalsContact OD1-CA 3.3Å; D276-H278 WeakPolarHBondContact OD1-CA 3.26Å; D276-H278 WeakPolarHBondContact OD1-CB 3.41Å; D276-H278 PolarHBondContact OD1-N 2.84Å; H278-Q280 HydrophobicContact CB-CG 4.29Å; H278-Q280 PolarHBondContact O-N 3.02Å; H278-Q280 VanDerWaalsContact O-N 3.13Å
279L96.8Very high97.4Very high29 Ų2955.4 Ų55.415%0.15228%0.275CS..  trans55.324.1-176.6-58.3176.3000113.8I156 D157 K159 I160 L275 D276 K281I156-L279 HydrophobicContact CG2-CD2 4.07Å; D157-L279 HydrophobicContact CB-CD1 4Å; D157-L279 HydrophobicContact CB-CD2 4.17Å; D157-L279 HydrophobicContact CB-CG 4.44Å; D157-L279 VanDerWaalsContact OD2-CD2 3.32Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.19Å; K159-L279 HydrophobicContact CB-CD1 4.03Å; K159-L279 HydrophobicContact CG-CD1 4.45Å; I160-L279 HydrophobicContact CD1-CD2 4.24Å; L275-L279 HydrophobicContact CB-CD2 4.49Å; L275-L279 HydrophobicContact CD1-CD2 4.48Å; D276-L279 PolarHBondContact O-N 3.36Å; D276-L279 PolarHBondContact OD1-N 3.06Å; L279-K281 PolarHBondContact O-NZ 3.2Å
280Q97.2Very high96.8Very high126 Ų12657.1 Ų57.159%0.58929%0.287SS*.  trans-67.7137166.4-58.1-59.8-59.400108.3L275 D276 H278L275-Q280 WeakPolarHBondContact CA-O 3.34Å; D276-Q280 PolarHBondContact N-O 2.94Å; D276-Q280 WeakPolarHBondContact OD1-CB 3.42Å; D276-Q280 PolarHBondContact OD1-N 3.17Å; D276-Q280 WeakPolarHBondContact OD2-CB 3.48Å; H278-Q280 HydrophobicContact CB-CG 4.29Å; H278-Q280 PolarHBondContact O-N 3.02Å; H278-Q280 VanDerWaalsContact O-N 3.13Å
281K97.7Very high95.7Very high92 Ų9265.3 Ų65.340%0.433%0.326SS..EExtended strand (participates in β ladder)trans-102.7123.1-171.3-61.9166.8-169.462.90108.4M233 W247 L273 E274 L275 L279M233-K281 HydrophobicContact SD-CD 4.16Å; M233-K281 WeakPolarHBondContact SD-CE 3.41Å; W247-K281 HydrophobicContact CH2-CD 3.99Å; W247-K281 HydrophobicContact CZ2-CD 4.13Å; L273-K281 HydrophobicContact CD1-CB 3.81Å; L273-K281 HydrophobicContact CD1-CG 4.07Å; E274-K281 WeakPolarHBondContact O-CA 3.47Å; L275-K281 HydrophobicContact CD2-CB 4.46Å; L275-K281 HydrophobicContact CD2-CG 3.6Å; L279-K281 PolarHBondContact O-NZ 3.2Å
282D97.8Very high94.5Very high101 Ų10174.4 Ų74.454%0.5437%0.368SS..EExtended strand (participates in β ladder)trans-121.3151.2164-163.920.2000110.3E274E274-D282 PolarHBondContact N-O 2.86Å; E274-D282 PolarHBondContact O-N 2.85Å
283F98.2Very high93.4Very high41 Ų4177.9 Ų77.918%0.1839%0.389CS..EExtended strand (participates in β ladder)trans-118.5118.1-179.3-68.6-87.4000109.7Y245 W247 L254 I272 L273Y245-F283 HydrophobicContact CD1-CB 4.43Å; Y245-F283 AromaticContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CE1 4.21Å; Y245-F283 HydrophobicContact CD1-CG 4.15Å; Y245-F283 HydrophobicContact CD2-CD1 4.07Å; Y245-F283 AromaticContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE2 4.4Å; Y245-F283 AromaticContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CE1-CB 4.17Å; Y245-F283 HydrophobicContact CE1-CD1 4.14Å; Y245-F283 HydrophobicContact CE1-CG 4.05Å; Y245-F283 HydrophobicContact CE2-CD1 4.42Å; Y245-F283 HydrophobicContact CE2-CD2 4.36Å; Y245-F283 HydrophobicContact CE2-CE1 4.23Å; Y245-F283 HydrophobicContact CE2-CE2 4.18Å; Y245-F283 HydrophobicContact CE2-CG 4.47Å; Y245-F283 HydrophobicContact CE2-CZ 4.1Å; Y245-F283 AromaticContact CG-CD1 3.73Å; Y245-F283 HydrophobicContact CG-CD1 3.73Å; Y245-F283 AromaticContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CG 4.4Å; Y245-F283 HydrophobicContact CG-CZ 4.33Å; W247-F283 HydrophobicContact CZ2-CE2 4.38Å; W247-F283 HydrophobicContact CZ2-CZ 4.02Å; L254-F283 HydrophobicContact CD1-CE1 3.91Å; L254-F283 HydrophobicContact CD1-CZ 3.83Å; L254-F283 HydrophobicContact CD2-CE1 3.76Å; L254-F283 HydrophobicContact CD2-CZ 3.74Å; L254-F283 HydrophobicContact CG-CE1 4.41Å; L254-F283 HydrophobicContact CG-CZ 4.45Å; I272-F283 WeakPolarHBondContact O-CA 2.77Å; L273-F283 HydrophobicContact CB-CE1 4.32Å; L273-F283 HydrophobicContact CD1-CD1 4.37Å; L273-F283 HydrophobicContact CD1-CE1 3.93Å; L273-F283 HydrophobicContact CD1-CE2 4.37Å; L273-F283 HydrophobicContact CD1-CZ 3.94Å
284I98.2Very high91.9Very high38 Ų3879.7 Ų79.720%0.19540%0.396CS..EExtended strand (participates in β ladder)trans-95.4112.5169.9-58-175.9000108.3V68 A271 I272 E274V68-I284 HydrophobicContact CB-CG2 3.79Å; V68-I284 HydrophobicContact CG2-CG2 3.79Å; V68-I284 WeakPolarHBondContact O-CD1 3.48Å; A271-I284 VanDerWaalsContact CA-O 3.28Å; A271-I284 WeakPolarHBondContact CA-O 3.37Å; I272-I284 HydrophobicContact CD1-CB 4.08Å; I272-I284 HydrophobicContact CD1-CD1 4.4Å; I272-I284 HydrophobicContact CD1-CG2 4.46Å; I272-I284 HydrophobicContact CG1-CB 3.73Å; I272-I284 HydrophobicContact CG1-CG2 4.45Å; I272-I284 PolarHBondContact N-O 3Å; I272-I284 PolarHBondContact O-N 2.97Å; I272-I284 VanDerWaalsContact O-N 3.08Å; E274-I284 HydrophobicContact CG-CD1 4.17Å; E274-I284 HydrophobicContact CG-CG1 4.39Å; E274-I284 WeakPolarHBondContact OE1-CD1 3.19Å
285I98.2Very high90.1Very high94 Ų9478.6 Ų78.648%0.48240%0.4SS..EExtended strand (participates in β ladder)trans-93.7135.4176.4-56.5173.7000109.1Y245 V269 A270 A271Y245-I285 HydrophobicContact CE1-CD1 4.18Å; V269-I285 HydrophobicContact CB-CG2 3.9Å; V269-I285 HydrophobicContact CG1-CG2 4.49Å; V269-I285 HydrophobicContact CG2-CG2 3.62Å; A270-I285 CarbonylContact O-C 3.57Å; A270-I285 WeakPolarHBondContact O-CA 3.4Å; A271-I285 HydrophobicContact CB-CG1 4.49Å
286F98.1Very high88Confident9 Ų985.6 Ų85.64%0.03944%0.435CS..EExtended strand (participates in β ladder)trans-140.7151.1178.265-79.6000112.5E64 L65 V68 P260 A270 I272E64-F286 HydrophobicContact CB-CD2 4.38Å; E64-F286 HydrophobicContact CG-CD2 3.92Å; L65-F286 HydrophobicContact CB-CE2 4.35Å; L65-F286 HydrophobicContact CB-CZ 3.98Å; L65-F286 HydrophobicContact CD1-CZ 4.29Å; L65-F286 HydrophobicContact CG-CZ 4.31Å; V68-F286 HydrophobicContact CG1-CB 4.36Å; V68-F286 HydrophobicContact CG2-CB 4.31Å; V68-F286 HydrophobicContact CG2-CD1 4.05Å; V68-F286 HydrophobicContact CG2-CG 4.22Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 3.99Å; A270-F286 HydrophobicContact CB-CD1 4.08Å; A270-F286 HydrophobicContact CB-CD2 4.13Å; A270-F286 HydrophobicContact CB-CE1 3.59Å; A270-F286 HydrophobicContact CB-CE2 3.66Å; A270-F286 HydrophobicContact CB-CG 4.33Å; A270-F286 HydrophobicContact CB-CZ 3.36Å; A270-F286 PolarHBondContact N-O 2.63Å; A270-F286 PolarHBondContact O-N 3.42Å; I272-F286 HydrophobicContact CG2-CE1 4.21Å
287E96.7Very high86Confident151 Ų15185.1 Ų85.171%0.70644%0.436SS*.PPolyproline II helixtrans-93.1170.4178-65.9-171165.900111.7V269 A289V269-E287 HydrophobicContact CG1-CG 4.3Å; E287-A289 PolarHBondContact O-N 2.68Å
288A94.4Very high83.8Confident35 Ų3582.4 Ų82.429%0.28943%0.432SS..PPolyproline II helixtrans-58.2133.5174.500000111.7P260 N261 R294P260-A288 HydrophobicContact CB-CB 4.18Å; P260-A288 HydrophobicContact CG-CB 4.26Å; N261-A288 HydrophobicContact CB-CB 3.9Å; A288-R294 VanDerWaalsContact CB-NH2 3.31Å
289A90.8Very high81.4Confident7 Ų785.4 Ų85.46%0.05844%0.443CS..PPolyproline II helixtrans-54.3139.9174.600000110.5D61 E287 Q291 R294D61-A289 VanDerWaalsContact OD1-CB 3.28Å; D61-A289 WeakPolarHBondContact OD1-CB 3.02Å; D61-A289 PolarHBondContact OD1-N 2.8Å; E287-A289 PolarHBondContact O-N 2.68Å; A289-Q291 PolarHBondContact O-N 2.91Å; A289-R294 PolarHBondContact O-NE 3.25Å
290P86Confident79.2Confident74 Ų7492.1 Ų92.148%0.48147%0.471SS..PPolyproline II helixtrans-54.7139.7-174.4-2431.2000112.1E292 T293 R294P290-E292 PolarHBondContact O-N 3.46Å; P290-T293 HydrophobicContact CB-CG2 4.31Å; P290-T293 HydrophobicContact CG-CG2 4.41Å; P290-T293 WeakPolarHBondContact O-CB 3.38Å; P290-T293 PolarHBondContact O-N 3.47Å; P290-T293 PolarHBondContact O-OG1 2.88Å; P290-R294 PolarHBondContact O-N 3.09Å
291Q74.9Confident77Confident172 Ų17291.9 Ų91.980%0.80448%0.48SS*.THydrogen-bonded Turntrans-54.2-31.7179.3-82.8-176.2000113.2A289 T293 R294A289-Q291 PolarHBondContact O-N 2.91Å; Q291-T293 PolarHBondContact O-N 2.77Å; Q291-R294 WeakPolarHBondContact O-CB 3.27Å; Q291-R294 PolarHBondContact O-N 3.18Å
292E72.8Confident75.1Confident191 Ų19192.5 Ų92.589%0.89349%0.492SS*.THydrogen-bonded Turntrans-62.1-30.1178-63.2165-174.200112.8P290P290-E292 PolarHBondContact O-N 3.46Å
293T75.3Confident73.5Confident73 Ų7388.9 Ų88.945%0.44848%0.476SS..THydrogen-bonded Turntrans-80.8-24.817667.40000112.1Y60 P290 Q291 G295Y60-T293 WeakPolarHBondContact CD1-O 3.33Å; Y60-T293 WeakPolarHBondContact CE1-O 3.5Å; P290-T293 HydrophobicContact CB-CG2 4.31Å; P290-T293 HydrophobicContact CG-CG2 4.41Å; P290-T293 WeakPolarHBondContact O-CB 3.38Å; P290-T293 PolarHBondContact O-N 3.47Å; P290-T293 PolarHBondContact O-OG1 2.88Å; Q291-T293 PolarHBondContact O-N 2.77Å; T293-G295 PolarHBondContact O-N 2.9Å
294R68.6Low71.8Confident37 Ų3793.4 Ų93.414%0.1450%0.502CS..SBendtrans-79.2109.2-178.9-60.9178.9179-158.7-11.4108.3Y60 D61 A288 A289 P290 Q291 I296Y60-R294 HydrophobicContact CD2-CB 4.2Å; Y60-R294 HydrophobicContact CD2-CG 4.01Å; Y60-R294 HydrophobicContact CE2-CB 4.43Å; Y60-R294 HydrophobicContact CG-CG 4.1Å; D61-R294 IonicContact OD1-CZ 3.46Å; D61-R294 IonicContact OD1-NH2 3.41Å; D61-R294 PolarHBondContact OD1-NH2 3.29Å; D61-R294 IonicContact OD2-CZ 2.97Å; D61-R294 IonicContact OD2-NH2 3.84Å; D61-R294 PolarHBondContact OD2-NH2 2.85Å; A288-R294 VanDerWaalsContact CB-NH2 3.31Å; A289-R294 PolarHBondContact O-NE 3.25Å; P290-R294 PolarHBondContact O-N 3.09Å; Q291-R294 WeakPolarHBondContact O-CB 3.27Å; Q291-R294 PolarHBondContact O-N 3.18Å; R294-I296 PolarHBondContact O-N 2.66Å
295G60.2Low70.5Confident31 Ų3193.8 Ų93.832%0.3250%0.501SS..  trans-48.8128170.300000110.3Y60 Y89 T293 P297Y60-G295 PolarHBondContact OH-N 2.91Å; Y89-G295 PolarHBondContact OH-O 3.16Å; T293-G295 PolarHBondContact O-N 2.9Å; G295-P297 WeakPolarHBondContact O-CD 3.43Å; G295-P297 VanDerWaalsContact O-N 3.11Å
296I54.3Low68.5Low150 Ų15089.6 Ų89.677%0.76948%0.48SS*.  trans-58.7115.7-176.6-58.5169.5000108R294 S298R294-I296 PolarHBondContact O-N 2.66Å; I296-S298 PolarHBondContact O-N 3.19Å
297P55.7Low66.1Low56 Ų5697.2 Ų97.236%0.36452%0.52SS..  trans-59127.4170.2-16.629.4000107.2F88 G295 K299F88-P297 HydrophobicContact CD2-CB 4.09Å; F88-P297 HydrophobicContact CD2-CG 3.6Å; F88-P297 HydrophobicContact CE2-CB 4.13Å; F88-P297 HydrophobicContact CE2-CG 3.7Å; F88-P297 HydrophobicContact CG-CB 4.31Å; F88-P297 HydrophobicContact CG-CG 4.24Å; F88-P297 HydrophobicContact CZ-CB 4.38Å; F88-P297 HydrophobicContact CZ-CG 4.41Å; G295-P297 WeakPolarHBondContact O-CD 3.43Å; G295-P297 VanDerWaalsContact O-N 3.11Å; P297-K299 PolarHBondContact O-N 3.06Å
298S51.5Low64.6Low82 Ų8294.6 Ų94.657%0.57351%0.511SS*.  trans-46.3114.7-179.154.30000109.7I296 K300I296-S298 PolarHBondContact O-N 3.19Å; S298-K300 VanDerWaalsContact C-N 3.35Å; S298-K300 WeakPolarHBondContact O-CB 3.49Å; S298-K300 PolarHBondContact O-N 3.2Å
299K45.8Very low63Low205 Ų20597.7 Ų97.789%0.89152%0.522SS*.SBendtrans-3692.2-175.5-71.7-178.4177.7-179.90111.7P297P297-K299 PolarHBondContact O-N 3.06Å
300K51.7Low61.5Low170 Ų170102.7 Ų102.774%0.73955%0.548SS*.  trans-137.7150.6173.5-81.8-166.7177.3-174.70107.2S298S298-K300 VanDerWaalsContact C-N 3.35Å; S298-K300 WeakPolarHBondContact O-CB 3.49Å; S298-K300 PolarHBondContact O-N 3.2Å
301P51.1Low60Low120 Ų120104.4 Ų104.478%0.77955%0.552SS**PPolyproline II helixtrans-53.9145.6-177.522-31.8000110A303P301-A303 PolarHBondContact O-N 3.45Å; P301-A303 VanDerWaalsContact O-N 3.09Å
302V57.1Low59.1Low105 Ų105100.2 Ų100.264%0.63654%0.537SS*.PPolyproline II helixtrans-47.3119.5170.5178.30000106.9F306V302-F306 HydrophobicContact CG1-CB 3.7Å; V302-F306 HydrophobicContact CG1-CD2 3.62Å; V302-F306 HydrophobicContact CG1-CG 3.99Å
303A63.2Low58.2Low26 Ų2694.1 Ų94.122%0.21551%0.513CS..PPolyproline II helixtrans-59.5140.4-179.100000110.4P301 Y305 F306P301-A303 PolarHBondContact O-N 3.45Å; P301-A303 VanDerWaalsContact O-N 3.09Å; A303-Y305 HydrophobicContact CB-CD1 3.71Å; A303-Y305 HydrophobicContact CB-CD2 4.37Å; A303-Y305 HydrophobicContact CB-CE1 3.25Å; A303-Y305 HydrophobicContact CB-CE2 3.96Å; A303-Y305 HydrophobicContact CB-CG 4.24Å; A303-Y305 PolarHBondContact O-N 3.31Å; A303-F306 HydrophobicContact CB-CD2 3.77Å; A303-F306 HydrophobicContact CB-CE2 3.81Å; A303-F306 WeakPolarHBondContact O-CB 3.49Å; A303-F306 VanDerWaalsContact O-CD2 3.26Å; A303-F306 WeakPolarHBondContact O-CD2 3.22Å; A303-F306 PolarHBondContact O-N 2.91Å
304D62.5Low56.9Low135 Ų13595.6 Ų95.672%0.72252%0.517SS*.G310 helixtrans-58.8-24.8-172.9-67.9-28.5000112.8F306 L307D304-F306 PolarHBondContact O-N 3.06Å; D304-L307 VanDerWaalsContact O-CB 3.31Å; D304-L307 WeakPolarHBondContact O-CB 3.36Å; D304-L307 PolarHBondContact O-N 2.74Å; D304-L307 VanDerWaalsContact O-N 3.13Å
305Y70.9Confident56Low46 Ų46100.2 Ų100.218%0.1855%0.547CS..G310 helixtrans-74.1-3.9177.261.9-108.7000114.7R86 Y124 A303R86-Y305 PolarHBondContact NH1-O 2.68Å; R86-Y305 WeakPolarHBondContact O-CE2 3.45Å; Y124-Y305 WeakPolarHBondContact O-CD2 3.28Å; Y124-Y305 WeakPolarHBondContact O-CE2 2.96Å; A303-Y305 HydrophobicContact CB-CD1 3.71Å; A303-Y305 HydrophobicContact CB-CD2 4.37Å; A303-Y305 HydrophobicContact CB-CE1 3.25Å; A303-Y305 HydrophobicContact CB-CE2 3.96Å; A303-Y305 HydrophobicContact CB-CG 4.24Å; A303-Y305 PolarHBondContact O-N 3.31Å
306F57.5Low55.7Low7 Ų7105.9 Ų105.93%0.03157%0.565CS.*G310 helixtrans-80.7-5.3167.2-70.2-69.1000112.9R86 F88 C263 Y264 R265 V302 A303 D304R86-F306 WeakPolarHBondContact O-CE1 3.47Å; R86-F306 WeakPolarHBondContact O-CZ 3.47Å; F88-F306 HydrophobicContact CD1-CZ 4.25Å; F88-F306 HydrophobicContact CD2-CZ 4.49Å; F88-F306 AromaticContact CE1-CE2 3.6Å; F88-F306 HydrophobicContact CE1-CE2 3.6Å; F88-F306 AromaticContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE2-CE2 4.38Å; F88-F306 AromaticContact CE2-CZ 3.92Å; F88-F306 HydrophobicContact CE2-CZ 3.92Å; F88-F306 AromaticContact CZ-CE2 3.49Å; F88-F306 HydrophobicContact CZ-CE2 3.49Å; F88-F306 VanDerWaalsContact CZ-CE2 3.49Å; F88-F306 AromaticContact CZ-CZ 3.45Å; F88-F306 HydrophobicContact CZ-CZ 3.45Å; F88-F306 VanDerWaalsContact CZ-CZ 3.45Å; C263-F306 HydrophobicContact CB-CD1 3.88Å; Y264-F306 AromaticContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CZ 4.14Å; Y264-F306 AromaticContact CE2-CE1 3.66Å; Y264-F306 HydrophobicContact CE2-CE1 3.66Å; Y264-F306 AromaticContact CE2-CZ 3.8Å; Y264-F306 HydrophobicContact CE2-CZ 3.8Å; R265-F306 PolarHBondContact NH1-O 2.96Å; V302-F306 HydrophobicContact CG1-CB 3.7Å; V302-F306 HydrophobicContact CG1-CD2 3.62Å; V302-F306 HydrophobicContact CG1-CG 3.99Å; A303-F306 HydrophobicContact CB-CD2 3.77Å; A303-F306 HydrophobicContact CB-CE2 3.81Å; A303-F306 WeakPolarHBondContact O-CB 3.49Å; A303-F306 VanDerWaalsContact O-CD2 3.26Å; A303-F306 WeakPolarHBondContact O-CD2 3.22Å; A303-F306 PolarHBondContact O-N 2.91Å; D304-F306 PolarHBondContact O-N 3.06Å
307L47.1Very low55.8Low169 Ų169101.9 Ų101.989%0.88555%0.547SS*.  trans-89.10-179-65.5171.3000112.9D304D304-L307 VanDerWaalsContact O-CB 3.31Å; D304-L307 WeakPolarHBondContact O-CB 3.36Å; D304-L307 PolarHBondContact O-N 2.74Å; D304-L307 VanDerWaalsContact O-N 3.13Å

Retrieved 307 of 307 residues in 458.7 ms (Link to these results)

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