A0A077ZCE4_TRITR Loading...

Peptidase S28 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 456 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
1M33.9Very low32.5Very low244 Ų244158.8 Ų158.8100%1.20284%0.837SS**  0115.20-71.5178.7-179.100107.1S3M1-S3 PolarHBondContact O-N 3.09Å
2I30.5Very low32.8Very low176 Ų176155.2 Ų155.290%0.90383%0.825SS**  trans-78.4117.2-167.3-63.4165.8000108.6
3S28.9Very low32.8Very low117 Ų117151.6 Ų151.682%0.81882%0.818SS**  trans-109.1117.2176.5-1450000108.9M1M1-S3 PolarHBondContact O-N 3.09Å
4V31.5Very low32.7Very low114 Ų114148.9 Ų148.969%0.69181%0.809SS**  trans-77.1121.5-178.9173.40000108.8F6V4-F6 PolarHBondContact O-N 3.47Å
5V32.5Very low33.1Very low133 Ų133147.5 Ų147.581%0.80681%0.807SS**  trans-74.8108.1173.1175.40000108.7C7V5-C7 PolarHBondContact O-N 3.45Å
6F32.9Very low32.7Very low185 Ų185148.8 Ų148.881%0.81181%0.806SS**  trans-80.1111.3166.8-109.1-92000109V4 M8V4-F6 PolarHBondContact O-N 3.47Å; F6-M8 PolarHBondContact O-N 3.32Å
7C27.7Very low33.2Very low106 Ų106147 Ų14772%0.71680%0.804SS**  trans-75.7102.4171.6-1560000108.6V5 F9V5-C7 PolarHBondContact O-N 3.45Å; C7-F9 PolarHBondContact O-N 2.72Å
8M33.9Very low34.3Very low173 Ų173144.1 Ų144.185%0.85279%0.791SS**  trans-81.1108.1167.1-92-157.8168.300109.2F6 T10F6-M8 PolarHBondContact O-N 3.32Å; M8-T10 PolarHBondContact O-N 2.92Å
9F36.9Very low35.6Very low188 Ų188140.8 Ų140.883%0.82579%0.785SS**  trans-68.1104.6159.7-89.2-91.3000108.5C7 F11C7-F9 PolarHBondContact O-N 2.72Å; F9-F11 PolarHBondContact O-N 2.91Å
10T33.5Very low37.8Very low122 Ų122138.2 Ų138.275%0.74878%0.782SS**  trans-72.2101166.133.90000109M8 V12M8-T10 PolarHBondContact O-N 2.92Å; T10-V12 PolarHBondContact O-N 3.34Å; T10-V12 VanDerWaalsContact O-N 3.11Å
11F35.7Very low40.3Very low189 Ų189133.7 Ų133.783%0.82975%0.753SS**  trans-69.4102.1166.3-133.6-93.8000107.8F9 C13F9-F11 PolarHBondContact O-N 2.91Å; F11-C13 PolarHBondContact O-N 3.36Å
12V35.6Very low43.2Very low115 Ų115125.7 Ų125.770%0.69772%0.718SS**  trans-71.695.4170.4-179.30000107.2T10 T14T10-V12 PolarHBondContact O-N 3.34Å; T10-V12 VanDerWaalsContact O-N 3.11Å; V12-T14 VanDerWaalsContact C-N 3.3Å; V12-T14 HydrophobicContact CG1-CG2 4.03Å; V12-T14 PolarHBondContact O-N 3.04Å
13C33.3Very low46.3Very low109 Ų109120.1 Ų120.174%0.73669%0.685SS**  trans-68.889.5165.6-870000109F11 V15F11-C13 PolarHBondContact O-N 3.36Å; C13-V15 PolarHBondContact O-N 3.39Å
14T31.1Very low49.6Very low113 Ų113120 Ų12069%0.69368%0.676SS**  trans-67.9111.9163.1500000108.4V12 Q16V12-T14 VanDerWaalsContact C-N 3.3Å; V12-T14 HydrophobicContact CG1-CG2 4.03Å; V12-T14 PolarHBondContact O-N 3.04Å; T14-Q16 PolarHBondContact O-N 2.95Å
15V38.4Very low52.8Low129 Ų129118.1 Ų118.178%0.78266%0.659SS**  trans-65.9101.1169.6-175.40000107C13C13-V15 PolarHBondContact O-N 3.39Å
16Q27.4Very low55.9Low168 Ų168113.3 Ų113.379%0.78563%0.631SS**PPolyproline II helixtrans-63132.3169.3-87-178.2-46.400108.4T14 V18T14-Q16 PolarHBondContact O-N 2.95Å; Q16-V18 PolarHBondContact O-N 2.75Å
17P40.3Very low59Low118 Ų118107.7 Ų107.777%0.76661%0.605SS**PPolyproline II helixtrans-59130.6171.524.2-30.8000108.5A19P17-A19 PolarHBondContact O-N 3.48Å; P17-A19 VanDerWaalsContact O-N 3.12Å
18V52.7Low62.4Low94 Ų94104.7 Ų104.757%0.5758%0.579SS**PPolyproline II helixtrans-56.5120.5173.1-177.20000106.8Q16 A20Q16-V18 PolarHBondContact O-N 2.75Å; V18-A20 PolarHBondContact O-N 2.96Å
19A59.5Low65.4Low83 Ų83100.5 Ų100.569%0.68656%0.56SS**PPolyproline II helixtrans-54.4129.1-179.200000109.6P17 Y21P17-A19 PolarHBondContact O-N 3.48Å; P17-A19 VanDerWaalsContact O-N 3.12Å; A19-Y21 PolarHBondContact O-N 3.17Å
20A79.2Confident68.2Low87 Ų8794 Ų9472%0.71954%0.541SS*.PPolyproline II helixtrans-56.9136.9179.400000110.3V18V18-A20 PolarHBondContact O-N 2.96Å
21Y91.5Very high71.3Confident45 Ų4588.2 Ų88.218%0.17651%0.505CS..PPolyproline II helixtrans-63.1139.2173.7-53.8-62.7000109.6A19 W23 G80 W83 D84 G407A19-Y21 PolarHBondContact O-N 3.17Å; Y21-W23 WeakPolarHBondContact O-CZ3 3.46Å; Y21-G80 VanDerWaalsContact CE2-CA 3.48Å; Y21-G80 VanDerWaalsContact CZ-CA 3.42Å; Y21-G80 WeakPolarHBondContact OH-CA 3.32Å; Y21-W83 HydrophobicContact CD1-CB 3.32Å; Y21-W83 AromaticContact CD1-CD1 3.8Å; Y21-W83 HydrophobicContact CD1-CD2 4.31Å; Y21-W83 AromaticContact CD1-CG 3.53Å; Y21-W83 HydrophobicContact CD1-CG 3.53Å; Y21-W83 AromaticContact CD2-CD1 3.6Å; Y21-W83 HydrophobicContact CD2-CG 4.16Å; Y21-W83 AromaticContact CD2-NE1 3.99Å; Y21-W83 HydrophobicContact CE1-CB 3.47Å; Y21-W83 VanDerWaalsContact CE1-CB 3.47Å; Y21-W83 AromaticContact CE1-CG 4Å; Y21-W83 HydrophobicContact CE1-CG 4Å; Y21-W83 AromaticContact CE2-CD1 3.96Å; Y21-W83 HydrophobicContact CG-CB 3.96Å; Y21-W83 AromaticContact CG-CD1 3.52Å; Y21-W83 HydrophobicContact CG-CD2 4.15Å; Y21-W83 AromaticContact CG-CG 3.61Å; Y21-W83 HydrophobicContact CG-CG 3.61Å; Y21-W83 AromaticContact CG-NE1 3.96Å; Y21-D84 PolarHBondContact OH-OD2 3.06Å; Y21-G407 WeakPolarHBondContact OH-CA 3.06Å
22T93.8Very high74.3Confident75 Ų7581.1 Ų81.146%0.4648%0.478SS..  trans-109.1140.8-176.855.80000110.7N51T22-N51 PolarHBondContact O-ND2 2.93Å; T22-N51 PolarHBondContact OG1-ND2 3.44Å
23W96.7Very high77.2Confident60 Ų6075.7 Ų75.723%0.22745%0.445CS..  trans-153.8156.9175.457.780.7000110.6Y21 L49 A76 Q77 W83Y21-W23 WeakPolarHBondContact O-CZ3 3.46Å; W23-L49 HydrophobicContact CB-CB 4.17Å; W23-L49 HydrophobicContact CD2-CD1 4.25Å; W23-L49 HydrophobicContact CG-CB 4Å; W23-L49 HydrophobicContact CG-CD1 4.19Å; W23-L49 HydrophobicContact CG-CG 4.48Å; W23-A76 HydrophobicContact CE3-CB 4.33Å; W23-A76 HydrophobicContact CH2-CB 4.37Å; W23-A76 HydrophobicContact CZ3-CB 4.22Å; W23-Q77 HydrophobicContact CH2-CG 3.71Å; W23-Q77 HydrophobicContact CZ2-CG 4.47Å; W23-W83 HydrophobicContact CB-CH2 3.94Å; W23-W83 HydrophobicContact CE3-CH2 4.11Å; W23-W83 AromaticContact CE3-CZ2 3.89Å; W23-W83 HydrophobicContact CE3-CZ2 3.89Å
24N97.7Very high80.2Confident115 Ų11571.1 Ų71.162%0.61541%0.414SS*.EExtended strand (participates in β ladder)trans-96.6133.1166.4-68-28.7000109.2L49 I50N24-L49 WeakPolarHBondContact O-CA 3.36Å; N24-I50 HydrophobicContact CB-CG2 4.35Å; N24-I50 PolarHBondContact N-O 3.49Å; N24-I50 PolarHBondContact O-N 3.09Å
25E98.2Very high83.4Confident73 Ų7368 Ų6834%0.34139%0.391SS..EExtended strand (participates in β ladder)trans-73.8131.8167.3-174.3174.5105.800108.8R47 L49 K103E25-R47 HydrophobicContact CG-CG 4.15Å; E25-R47 WeakPolarHBondContact OE2-CD 3.36Å; E25-R47 IonicContact OE2-CZ 3.76Å; E25-R47 IonicContact OE2-NH1 3.69Å; E25-R47 PolarHBondContact OE2-NH1 3.3Å; E25-L49 HydrophobicContact CB-CD2 4.19Å; E25-L49 HydrophobicContact CG-CD2 4.23Å; E25-K103 IonicContact OE1-NZ 2.63Å; E25-K103 PolarHBondContact OE1-NZ 2.96Å; E25-K103 IonicContact OE2-NZ 3.6Å; E25-K103 PolarHBondContact OE2-NZ 2.8Å
26S98.2Very high86.1Confident32 Ų3267.7 Ų67.722%0.22438%0.38CS..EExtended strand (participates in β ladder)trans-143.1166.9-178.4-68.50000111Y48S26-Y48 CarbonylContact C-O 3.57Å; S26-Y48 PolarHBondContact N-O 3.01Å; S26-Y48 PolarHBondContact O-N 3.02Å
27W98.4Very high89.3Confident67 Ų6761.3 Ų61.325%0.25435%0.353SS..EExtended strand (participates in β ladder)trans-138.6140.8-170.1-63.287.5000111.3D29 R45 L46 R47 K103W27-D29 WeakPolarHBondContact CB-OD1 3.22Å; W27-R45 HydrophobicContact CE3-CB 3.72Å; W27-R45 HydrophobicContact CZ3-CB 4.2Å; W27-L46 WeakPolarHBondContact CA-O 3.4Å; W27-R47 HydrophobicContact CD2-CB 4.36Å; W27-R47 HydrophobicContact CE3-CB 3.88Å; W27-R47 HydrophobicContact CH2-CB 3.81Å; W27-R47 HydrophobicContact CH2-CG 4.15Å; W27-R47 HydrophobicContact CZ2-CB 4.24Å; W27-R47 HydrophobicContact CZ2-CG 4.1Å; W27-R47 HydrophobicContact CZ3-CB 3.6Å; W27-R47 HydrophobicContact CZ3-CG 4.35Å; W27-K103 HydrophobicContact CH2-CB 3.59Å; W27-K103 HydrophobicContact CH2-CD 4.22Å; W27-K103 HydrophobicContact CZ2-CB 4.36Å; W27-K103 HydrophobicContact CZ2-CD 4.17Å; W27-K103 HydrophobicContact CZ3-CB 4.48Å
28Y98.3Very high91.6Very high43 Ų4366.6 Ų66.617%0.16936%0.36CS..EExtended strand (participates in β ladder)trans-105.7109.7165.3179.7-108.1000109A30 M31 R45 L46 V129 L130 H133Y28-A30 VanDerWaalsContact CE1-C 3.41Å; Y28-A30 HydrophobicContact CE1-CB 4.32Å; Y28-A30 WeakPolarHBondContact CE1-O 3.43Å; Y28-A30 PolarHBondContact O-N 2.96Å; Y28-M31 HydrophobicContact CD1-CB 3.94Å; Y28-M31 HydrophobicContact CD1-CE 3.49Å; Y28-M31 VanDerWaalsContact CD1-CE 3.49Å; Y28-M31 HydrophobicContact CD1-SD 4.19Å; Y28-M31 HydrophobicContact CE1-CB 4.24Å; Y28-M31 HydrophobicContact CE1-CE 3.89Å; Y28-M31 HydrophobicContact CE1-SD 4.12Å; Y28-M31 HydrophobicContact CG-CE 4.49Å; Y28-R45 WeakPolarHBondContact O-CA 3.46Å; Y28-L46 PolarHBondContact N-O 3.23Å; Y28-L46 PolarHBondContact O-N 3.46Å; Y28-V129 HydrophobicContact CD1-CG1 4.47Å; Y28-V129 HydrophobicContact CE1-CG1 3.56Å; Y28-L130 HydrophobicContact CG-CD1 4.47Å; Y28-H133 HydrophobicContact CD2-CB 4.06Å; Y28-H133 AromaticContact CD2-CD2 3.47Å; Y28-H133 VanDerWaalsContact CD2-CD2 3.47Å; Y28-H133 WeakPolarHBondContact CD2-CD2 3.15Å; Y28-H133 AromaticContact CD2-CG 3.54Å; Y28-H133 AromaticContact CD2-ND1 3.97Å; Y28-H133 AromaticContact CD2-NE2 3.84Å; Y28-H133 HydrophobicContact CE2-CB 3.78Å; Y28-H133 AromaticContact CE2-CD2 3.94Å; Y28-H133 AromaticContact CE2-CG 3.5Å; Y28-H133 AromaticContact CE2-ND1 3.7Å
29D97.1Very high93.2Very high86 Ų8669.3 Ų69.346%0.4637%0.371SS..EExtended strand (participates in β ladder)trans-84.6-11.5-164-62.2-25.3000114.5W27 R45W27-D29 WeakPolarHBondContact CB-OD1 3.22Å; D29-R45 HydrophobicContact CB-CG 4.37Å; D29-R45 IonicContact OD1-CZ 3.54Å; D29-R45 IonicContact OD1-NE 2.86Å; D29-R45 PolarHBondContact OD1-NE 2.88Å; D29-R45 IonicContact OD1-NH2 3.16Å; D29-R45 PolarHBondContact OD1-NH2 2.9Å; D29-R45 IonicContact OD2-NH2 2.93Å
30A96.7Very high94.3Very high51 Ų5169 Ų6942%0.42136%0.356SS..EExtended strand (participates in β ladder)trans-113.533.7-174.100000112.4Y28 P32Y28-A30 VanDerWaalsContact CE1-C 3.41Å; Y28-A30 HydrophobicContact CE1-CB 4.32Å; Y28-A30 WeakPolarHBondContact CE1-O 3.43Å; Y28-A30 PolarHBondContact O-N 2.96Å; A30-P32 WeakPolarHBondContact O-CD 3.33Å
31M98.1Very high94.7Very high0 Ų072.9 Ų72.90%037%0.365CS..EExtended strand (participates in β ladder)trans-75120.8178.8-165.9577800110.5Y28 V33 T43 F44 L46 D126 V129 L130Y28-M31 HydrophobicContact CD1-CB 3.94Å; Y28-M31 HydrophobicContact CD1-CE 3.49Å; Y28-M31 VanDerWaalsContact CD1-CE 3.49Å; Y28-M31 HydrophobicContact CD1-SD 4.19Å; Y28-M31 HydrophobicContact CE1-CB 4.24Å; Y28-M31 HydrophobicContact CE1-CE 3.89Å; Y28-M31 HydrophobicContact CE1-SD 4.12Å; Y28-M31 HydrophobicContact CG-CE 4.49Å; M31-V33 PolarHBondContact O-N 3.23Å; M31-T43 CarbonylContact O-C 3.52Å; M31-T43 WeakPolarHBondContact O-CA 3.3Å; M31-T43 VanDerWaalsContact O-CB 3.29Å; M31-T43 WeakPolarHBondContact O-CB 3.35Å; M31-F44 HydrophobicContact CB-CD1 3.91Å; M31-F44 HydrophobicContact CB-CE1 3.67Å; M31-F44 HydrophobicContact CB-CG 4.5Å; M31-F44 HydrophobicContact CB-CZ 4.07Å; M31-F44 VanDerWaalsContact CB-O 3.3Å; M31-F44 WeakPolarHBondContact CB-O 3.42Å; M31-F44 HydrophobicContact CG-CD1 4.16Å; M31-F44 HydrophobicContact CG-CE1 3.41Å; M31-F44 VanDerWaalsContact CG-CE1 3.41Å; M31-F44 HydrophobicContact CG-CZ 3.7Å; M31-F44 PolarHBondContact N-O 3.26Å; M31-F44 VanDerWaalsContact N-O 3.09Å; M31-F44 VanDerWaalsContact O-CD1 3.27Å; M31-F44 WeakPolarHBondContact O-CD1 3.46Å; M31-F44 PolarHBondContact O-N 2.79Å; M31-L46 HydrophobicContact CB-CB 4.19Å; M31-L46 HydrophobicContact CE-CB 4.18Å; M31-L46 HydrophobicContact CE-CD2 3.54Å; M31-L46 HydrophobicContact CE-CG 4.45Å; M31-L46 HydrophobicContact CG-CB 4.36Å; M31-D126 HydrophobicContact CE-CB 4Å; M31-D126 WeakPolarHBondContact CE-O 3.4Å; M31-D126 HydrophobicContact CG-CB 4.48Å; M31-D126 WeakPolarHBondContact CG-OD1 3.48Å; M31-D126 HydrophobicContact SD-CB 4.09Å; M31-V129 HydrophobicContact CE-CB 4.12Å; M31-V129 HydrophobicContact CE-CG1 4.08Å; M31-V129 HydrophobicContact SD-CB 3.97Å; M31-V129 HydrophobicContact SD-CG1 3.92Å; M31-L130 HydrophobicContact CE-CB 4.24Å
32P97.3Very high94.8Very high40 Ų4074.2 Ų74.226%0.2638%0.377SS..EExtended strand (participates in β ladder)trans-59.1133.8175.3-2334000111.5A30 D34 R99A30-P32 WeakPolarHBondContact O-CD 3.33Å; P32-D34 PolarHBondContact O-N 3.49Å; P32-R99 PolarHBondContact O-NH2 2.97Å
33V97.1Very high95Very high1 Ų174 Ų741%0.00638%0.376CS..SBendtrans-63.4-34.4171.4166.30000110.7M31 V42 F44 R99 P106 F107 K117M31-V33 PolarHBondContact O-N 3.23Å; V33-V42 HydrophobicContact CB-CB 4.47Å; V33-V42 WeakPolarHBondContact CB-O 3.47Å; V33-V42 HydrophobicContact CG2-CB 4.16Å; V33-V42 HydrophobicContact CG2-CG1 3.86Å; V33-V42 WeakPolarHBondContact CG2-O 3.38Å; V33-V42 PolarHBondContact N-O 2.86Å; V33-F44 HydrophobicContact CG2-CB 4.4Å; V33-F44 HydrophobicContact CG2-CD1 4.03Å; V33-R99 PolarHBondContact O-NH1 3.17Å; V33-P106 HydrophobicContact CG2-CB 4.27Å; V33-F107 HydrophobicContact CG1-CE1 3.74Å; V33-F107 HydrophobicContact CG1-CE2 4.22Å; V33-F107 HydrophobicContact CG1-CZ 3.37Å; V33-K117 HydrophobicContact CG1-CG 3.97Å
34D97.2Very high95Very high14 Ų1471.7 Ų71.78%0.07537%0.367CS..  trans-131.9115.2178.1-164.2-11.4000111.4P32 F36 S37 K117 Q122P32-D34 PolarHBondContact O-N 3.49Å; D34-F36 PolarHBondContact OD1-N 3.36Å; D34-S37 PolarHBondContact OD1-N 3.26Å; D34-S37 WeakPolarHBondContact OD2-CB 3.26Å; D34-K117 HydrophobicContact CB-CD 4.17Å; D34-K117 VanDerWaalsContact OD2-CE 3.29Å; D34-K117 WeakPolarHBondContact OD2-CE 3.21Å; D34-K117 IonicContact OD2-NZ 2.82Å; D34-K117 PolarHBondContact OD2-NZ 2.96Å; D34-Q122 PolarHBondContact OD1-NE2 3.41Å
35H97.2Very high95.1Very high47 Ų4772.4 Ų72.422%0.21836%0.362CS..SBendtrans-82.2-13.5174.5-66.8-79.1000113.7R99 Q122 A125 D126H35-R99 PolarHBondContact CD2-NH2 3Å; H35-R99 VanDerWaalsContact CD2-NH2 3.32Å; H35-R99 PolarHBondContact NE2-NH2 3Å; H35-Q122 PolarHBondContact CD2-OE1 3.16Å; H35-Q122 VanDerWaalsContact CD2-OE1 3.24Å; H35-A125 HydrophobicContact CB-CB 3.77Å; H35-A125 VanDerWaalsContact CD2-CB 3.42Å; H35-A125 WeakPolarHBondContact CD2-CB 3.47Å; H35-A125 VanDerWaalsContact CG-CB 3.45Å; H35-D126 IonicContact CD2-OD1 3.12Å; H35-D126 IonicContact CE1-OD1 3.91Å; H35-D126 PolarHBondContact NE2-N 3.21Å; H35-D126 IonicContact NE2-OD1 2.78Å; H35-D126 PolarHBondContact NE2-OD1 3.42Å
36F96.1Very high95.1Very high123 Ų12368.9 Ų68.954%0.53935%0.345SS..SBendtrans-118.62.8-167.8-54.1-70.9000113.9D34 S121 Q122 A125D34-F36 PolarHBondContact OD1-N 3.36Å; F36-S121 WeakPolarHBondContact CZ-O 3.42Å; F36-Q122 HydrophobicContact CD2-CG 4.04Å; F36-Q122 HydrophobicContact CE2-CB 4.43Å; F36-Q122 HydrophobicContact CE2-CG 3.92Å; F36-A125 HydrophobicContact CZ-CB 4.12Å
37S94.2Very high95.1Very high33 Ų3367.4 Ų67.423%0.23134%0.335CS..  trans-137.2142.8166.6173.10000110.3D34 D39D34-S37 PolarHBondContact OD1-N 3.26Å; D34-S37 WeakPolarHBondContact OD2-CB 3.26Å; S37-D39 WeakPolarHBondContact OG-CB 3.5Å; S37-D39 PolarHBondContact OG-N 2.9Å; S37-D39 PolarHBondContact OG-OD2 2.86Å
38Y89.7Confident95.1Very high230 Ų23065.2 Ų65.290%0.90233%0.327SS*.SBendtrans-90.72174.9-66.5-86000113M40Y38-M40 PolarHBondContact O-N 2.63Å
39D86.3Confident95.1Very high150 Ų15063.2 Ų63.280%0.80232%0.319SS*.SBendtrans-69-21-174.4-59.8-33.1000113.1S37S37-D39 WeakPolarHBondContact OG-CB 3.5Å; S37-D39 PolarHBondContact OG-N 2.9Å; S37-D39 PolarHBondContact OG-OD2 2.86Å
40M81.8Confident95.2Very high78 Ų7859.8 Ų59.838%0.38430%0.3SS..  trans-129.7117.5-178.9-66.5-172-62.800111Y38 V42Y38-M40 PolarHBondContact O-N 2.63Å; M40-V42 VanDerWaalsContact C-N 3.25Å; M40-V42 HydrophobicContact CB-CG2 4.38Å; M40-V42 PolarHBondContact O-N 3.35Å
41N88.4Confident95.2Very high168 Ų16858.4 Ų58.490%0.89829%0.286SS*.  trans-92.751.6171.2-163.916.6000111.3
42V93.5Very high95Very high72 Ų7261 Ų6144%0.43630%0.302SS..  trans-105.4133-180-176.60000108.8V33 M40V33-V42 HydrophobicContact CB-CB 4.47Å; V33-V42 WeakPolarHBondContact CB-O 3.47Å; V33-V42 HydrophobicContact CG2-CB 4.16Å; V33-V42 HydrophobicContact CG2-CG1 3.86Å; V33-V42 WeakPolarHBondContact CG2-O 3.38Å; V33-V42 PolarHBondContact N-O 2.86Å; M40-V42 VanDerWaalsContact C-N 3.25Å; M40-V42 HydrophobicContact CB-CG2 4.38Å; M40-V42 PolarHBondContact O-N 3.35Å
43T96.8Very high94.7Very high70 Ų7066.3 Ų66.343%0.42932%0.323SS..EExtended strand (participates in β ladder)trans-113.6161.9175.263.60000111.8M31M31-T43 CarbonylContact O-C 3.52Å; M31-T43 WeakPolarHBondContact O-CA 3.3Å; M31-T43 VanDerWaalsContact O-CB 3.29Å; M31-T43 WeakPolarHBondContact O-CB 3.35Å
44F97.9Very high94.3Very high12 Ų1273.7 Ų73.75%0.05335%0.351CS..EExtended strand (participates in β ladder)trans-135.116717076.5-74.3000110.3M31 V33 L46 R99 P106M31-F44 HydrophobicContact CB-CD1 3.91Å; M31-F44 HydrophobicContact CB-CE1 3.67Å; M31-F44 HydrophobicContact CB-CG 4.5Å; M31-F44 HydrophobicContact CB-CZ 4.07Å; M31-F44 VanDerWaalsContact CB-O 3.3Å; M31-F44 WeakPolarHBondContact CB-O 3.42Å; M31-F44 HydrophobicContact CG-CD1 4.16Å; M31-F44 HydrophobicContact CG-CE1 3.41Å; M31-F44 VanDerWaalsContact CG-CE1 3.41Å; M31-F44 HydrophobicContact CG-CZ 3.7Å; M31-F44 PolarHBondContact N-O 3.26Å; M31-F44 VanDerWaalsContact N-O 3.09Å; M31-F44 VanDerWaalsContact O-CD1 3.27Å; M31-F44 WeakPolarHBondContact O-CD1 3.46Å; M31-F44 PolarHBondContact O-N 2.79Å; V33-F44 HydrophobicContact CG2-CB 4.4Å; V33-F44 HydrophobicContact CG2-CD1 4.03Å; F44-L46 HydrophobicContact CE2-CB 4.3Å; F44-L46 HydrophobicContact CE2-CD1 3.74Å; F44-L46 HydrophobicContact CZ-CD1 3.85Å; F44-R99 HydrophobicContact CE2-CB 4.4Å; F44-R99 HydrophobicContact CZ-CB 4Å; F44-P106 HydrophobicContact CB-CB 4.48Å; F44-P106 HydrophobicContact CD1-CB 4.17Å; F44-P106 HydrophobicContact CD1-CG 4.31Å; F44-P106 HydrophobicContact CD2-CB 4.39Å; F44-P106 HydrophobicContact CD2-CG 4.13Å; F44-P106 HydrophobicContact CE1-CG 4.22Å; F44-P106 HydrophobicContact CE2-CG 4.04Å; F44-P106 HydrophobicContact CG-CB 4.11Å; F44-P106 HydrophobicContact CG-CG 4.27Å; F44-P106 HydrophobicContact CZ-CG 4.1Å
45R98Very high94.1Very high130 Ų13074.8 Ų74.849%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-89.2120.5176.3-51.4-178.466.9176.610.7109.5W27 Y28 D29W27-R45 HydrophobicContact CE3-CB 3.72Å; W27-R45 HydrophobicContact CZ3-CB 4.2Å; Y28-R45 WeakPolarHBondContact O-CA 3.46Å; D29-R45 HydrophobicContact CB-CG 4.37Å; D29-R45 IonicContact OD1-CZ 3.54Å; D29-R45 IonicContact OD1-NE 2.86Å; D29-R45 PolarHBondContact OD1-NE 2.88Å; D29-R45 IonicContact OD1-NH2 3.16Å; D29-R45 PolarHBondContact OD1-NH2 2.9Å; D29-R45 IonicContact OD2-NH2 2.93Å
46L98.6Very high93.7Very high0 Ų075.7 Ų75.70%036%0.358CS..EExtended strand (participates in β ladder)trans-94.6126.5173.2-168.879.4000109.8W27 Y28 M31 F44 E97 D126 L130W27-L46 WeakPolarHBondContact CA-O 3.4Å; Y28-L46 PolarHBondContact N-O 3.23Å; Y28-L46 PolarHBondContact O-N 3.46Å; M31-L46 HydrophobicContact CB-CB 4.19Å; M31-L46 HydrophobicContact CE-CB 4.18Å; M31-L46 HydrophobicContact CE-CD2 3.54Å; M31-L46 HydrophobicContact CE-CG 4.45Å; M31-L46 HydrophobicContact CG-CB 4.36Å; F44-L46 HydrophobicContact CE2-CB 4.3Å; F44-L46 HydrophobicContact CE2-CD1 3.74Å; F44-L46 HydrophobicContact CZ-CD1 3.85Å; L46-E97 WeakPolarHBondContact CD1-O 3.44Å; L46-D126 HydrophobicContact CD2-CB 4.08Å; L46-L130 HydrophobicContact CD2-CD2 4.18Å
47R98.7Very high93.2Very high1 Ų171.9 Ų71.90%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-79.3141.1177.4-173.2164.568.8145.5-0.3110.9E25 W27 S71 E73 E97 S104E25-R47 HydrophobicContact CG-CG 4.15Å; E25-R47 WeakPolarHBondContact OE2-CD 3.36Å; E25-R47 IonicContact OE2-CZ 3.76Å; E25-R47 IonicContact OE2-NH1 3.69Å; E25-R47 PolarHBondContact OE2-NH1 3.3Å; W27-R47 HydrophobicContact CD2-CB 4.36Å; W27-R47 HydrophobicContact CE3-CB 3.88Å; W27-R47 HydrophobicContact CH2-CB 3.81Å; W27-R47 HydrophobicContact CH2-CG 4.15Å; W27-R47 HydrophobicContact CZ2-CB 4.24Å; W27-R47 HydrophobicContact CZ2-CG 4.1Å; W27-R47 HydrophobicContact CZ3-CB 3.6Å; W27-R47 HydrophobicContact CZ3-CG 4.35Å; R47-S71 PolarHBondContact NH2-OG 3.4Å; R47-E73 IonicContact CZ-OE2 2.67Å; R47-E73 VanDerWaalsContact NH1-CD 3.27Å; R47-E73 IonicContact NH1-OE1 3.58Å; R47-E73 IonicContact NH1-OE2 2.72Å; R47-E73 PolarHBondContact NH1-OE2 2.95Å; R47-E73 IonicContact NH2-OE2 3.72Å; R47-E97 HydrophobicContact CB-CB 4.1Å; R47-E97 WeakPolarHBondContact CB-OE2 3.39Å; R47-E97 IonicContact CZ-OE1 2.63Å; R47-E97 IonicContact CZ-OE2 2.93Å; R47-E97 IonicContact NE-OE1 2.69Å; R47-E97 PolarHBondContact NE-OE1 3.26Å; R47-E97 IonicContact NE-OE2 3.17Å; R47-E97 PolarHBondContact NE-OE2 3.05Å; R47-E97 IonicContact NH2-OE1 3.01Å; R47-E97 PolarHBondContact NH2-OE1 3.42Å; R47-E97 IonicContact NH2-OE2 2.78Å; R47-E97 VanDerWaalsContact O-CB 3.26Å; R47-E97 WeakPolarHBondContact O-CB 3.44Å; R47-E97 PolarHBondContact O-N 3.35Å; R47-S104 VanDerWaalsContact CB-OG 3.28Å; R47-S104 WeakPolarHBondContact CB-OG 3.29Å; R47-S104 PolarHBondContact N-OG 3.34Å
48Y98.8Very high92.5Very high21 Ų2175.6 Ų75.68%0.08236%0.364CS..EExtended strand (participates in β ladder)trans-145.4155.6165.266.6-84.1000111S26 I50 V94 F95 L130 L134S26-Y48 CarbonylContact C-O 3.57Å; S26-Y48 PolarHBondContact N-O 3.01Å; S26-Y48 PolarHBondContact O-N 3.02Å; Y48-I50 HydrophobicContact CD2-CB 4.09Å; Y48-I50 HydrophobicContact CD2-CG2 4.42Å; Y48-I50 HydrophobicContact CE2-CB 3.94Å; Y48-I50 HydrophobicContact CE2-CD1 4.26Å; Y48-I50 HydrophobicContact CE2-CG2 3.96Å; Y48-V94 HydrophobicContact CD2-CG1 4.21Å; Y48-F95 CarbonylContact C-O 3.5Å; Y48-F95 WeakPolarHBondContact CA-O 3.09Å; Y48-F95 WeakPolarHBondContact CB-O 3.34Å; Y48-L130 HydrophobicContact CD1-CD1 3.76Å; Y48-L130 HydrophobicContact CD1-CD2 4.24Å; Y48-L130 HydrophobicContact CE1-CD1 3.87Å; Y48-L130 HydrophobicContact CG-CD1 4.3Å; Y48-L130 HydrophobicContact CG-CD2 4.17Å; Y48-L134 HydrophobicContact CE2-CD2 3.96Å
49L98.7Very high92.3Very high0 Ų069.3 Ų69.30%034%0.342CS..EExtended strand (participates in β ladder)trans-105.5137.1173.7-47.8178.1000108.2W23 N24 E25 V72 E73 A76 V94 F95W23-L49 HydrophobicContact CB-CB 4.17Å; W23-L49 HydrophobicContact CD2-CD1 4.25Å; W23-L49 HydrophobicContact CG-CB 4Å; W23-L49 HydrophobicContact CG-CD1 4.19Å; W23-L49 HydrophobicContact CG-CG 4.48Å; N24-L49 WeakPolarHBondContact O-CA 3.36Å; E25-L49 HydrophobicContact CB-CD2 4.19Å; E25-L49 HydrophobicContact CG-CD2 4.23Å; L49-V72 HydrophobicContact CD1-CG1 3.98Å; L49-V72 HydrophobicContact CD1-CG2 4.41Å; L49-V72 HydrophobicContact CD2-CG1 4.22Å; L49-V72 HydrophobicContact CG-CG1 3.87Å; L49-V72 HydrophobicContact CG-CG2 4.48Å; L49-E73 HydrophobicContact CD1-CG 4Å; L49-E73 HydrophobicContact CD2-CG 4.35Å; L49-A76 HydrophobicContact CD1-CB 3.6Å; L49-V94 CarbonylContact O-C 3.6Å; L49-V94 VanDerWaalsContact O-CA 3.27Å; L49-V94 WeakPolarHBondContact O-CA 3.33Å; L49-F95 HydrophobicContact CB-CB 4.23Å; L49-F95 HydrophobicContact CD1-CB 4.49Å; L49-F95 PolarHBondContact N-O 2.99Å; L49-F95 PolarHBondContact O-N 3.11Å
50I98Very high92.6Very high14 Ų1462.1 Ų62.17%0.07230%0.304CS..EExtended strand (participates in β ladder)trans-136.1139.5-177.3-172.1167.3000112.1N24 Y48 T52 V93 V94 L134 F138N24-I50 HydrophobicContact CB-CG2 4.35Å; N24-I50 PolarHBondContact N-O 3.49Å; N24-I50 PolarHBondContact O-N 3.09Å; Y48-I50 HydrophobicContact CD2-CB 4.09Å; Y48-I50 HydrophobicContact CD2-CG2 4.42Å; Y48-I50 HydrophobicContact CE2-CB 3.94Å; Y48-I50 HydrophobicContact CE2-CD1 4.26Å; Y48-I50 HydrophobicContact CE2-CG2 3.96Å; I50-T52 HydrophobicContact CD1-CG2 3.96Å; I50-T52 HydrophobicContact CG1-CG2 3.98Å; I50-V93 CarbonylContact C-O 3.49Å; I50-V93 WeakPolarHBondContact CA-O 3.44Å; I50-V94 HydrophobicContact CD1-CG2 4.22Å; I50-V94 HydrophobicContact CG1-CG2 4.13Å; I50-L134 HydrophobicContact CD1-CD2 4.28Å; I50-F138 HydrophobicContact CD1-CE2 3.86Å; I50-F138 HydrophobicContact CD1-CZ 3.97Å
51N96.6Very high93.3Very high22 Ų2258.5 Ų58.512%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-131.1125.7165.9-173.7-51.5000109.8T22 E53 W83 M92 V93T22-N51 PolarHBondContact O-ND2 2.93Å; T22-N51 PolarHBondContact OG1-ND2 3.44Å; N51-E53 PolarHBondContact OD1-N 3.42Å; N51-W83 HydrophobicContact CB-CZ3 3.73Å; N51-M92 WeakPolarHBondContact O-CA 3.26Å; N51-V93 PolarHBondContact N-O 3.48Å; N51-V93 PolarHBondContact O-N 3.4Å
52T94.7Very high93.7Very high56 Ų5650.5 Ų50.534%0.34424%0.243SC..  trans-120.97.1177.457.70000112.9I50 R54 W55 M92 F138I50-T52 HydrophobicContact CD1-CG2 3.96Å; I50-T52 HydrophobicContact CG1-CG2 3.98Å; T52-R54 VanDerWaalsContact C-N 3.26Å; T52-R54 PolarHBondContact O-N 2.93Å; T52-W55 HydrophobicContact CG2-CE3 4.45Å; T52-W55 PolarHBondContact O-N 3.35Å; T52-W55 VanDerWaalsContact O-N 3.11Å; T52-M92 HydrophobicContact CG2-CB 4.21Å; T52-F138 HydrophobicContact CG2-CE1 4.23Å; T52-F138 HydrophobicContact CG2-CZ 3.96Å
53E91.5Very high93.9Very high151 Ų15147 Ų4771%0.70622%0.222SC*.THydrogen-bonded Turntrans-60.4-34.9-171-67.8-178.4160.600112.9N51N51-E53 PolarHBondContact OD1-N 3.42Å
54R87.1Confident94Very high156 Ų15643.7 Ų43.759%0.58920%0.202SC*.THydrogen-bonded Turntrans-1076.5178.1-64.8-167.6174112.41.5113.7T52 N90T52-R54 VanDerWaalsContact C-N 3.26Å; T52-R54 PolarHBondContact O-N 2.93Å; R54-N90 WeakPolarHBondContact O-CA 3.22Å
55W93.3Very high94.1Very high36 Ų3643.6 Ų43.614%0.13620%0.201CC..  trans-75.9130.4-175.6174.957000111T52 G60 N90 M92 F138 A141 L144T52-W55 HydrophobicContact CG2-CE3 4.45Å; T52-W55 PolarHBondContact O-N 3.35Å; T52-W55 VanDerWaalsContact O-N 3.11Å; W55-G60 PolarHBondContact NE1-O 3.26Å; W55-N90 WeakPolarHBondContact CA-O 3.15Å; W55-N90 VanDerWaalsContact CD1-O 3.26Å; W55-M92 HydrophobicContact CB-CB 3.85Å; W55-M92 HydrophobicContact CD2-CB 4.11Å; W55-M92 HydrophobicContact CD2-CE 3.4Å; W55-M92 HydrophobicContact CE3-CE 3.58Å; W55-M92 HydrophobicContact CG-CB 3.63Å; W55-M92 HydrophobicContact CG-CE 4.12Å; W55-M92 HydrophobicContact CG-CG 4.33Å; W55-M92 HydrophobicContact CH2-CE 3.58Å; W55-M92 HydrophobicContact CZ2-CE 3.36Å; W55-M92 HydrophobicContact CZ3-CE 3.67Å; W55-F138 HydrophobicContact CE3-CD1 4.41Å; W55-F138 HydrophobicContact CH2-CB 3.73Å; W55-F138 AromaticContact CH2-CD1 3.96Å; W55-F138 HydrophobicContact CH2-CD1 3.96Å; W55-F138 HydrophobicContact CH2-CG 4.03Å; W55-F138 HydrophobicContact CZ3-CB 4.19Å; W55-F138 AromaticContact CZ3-CD1 3.49Å; W55-F138 HydrophobicContact CZ3-CD1 3.49Å; W55-F138 VanDerWaalsContact CZ3-CD1 3.49Å; W55-F138 HydrophobicContact CZ3-CE1 4.12Å; W55-F138 HydrophobicContact CZ3-CG 4Å; W55-A141 HydrophobicContact CH2-CB 4.21Å; W55-A141 HydrophobicContact CZ2-CB 4.03Å; W55-L144 HydrophobicContact CZ2-CD1 3.97Å
56H90.3Very high94.1Very high66 Ų6637.4 Ų37.431%0.30618%0.177SC..  trans-97.2113.2174.5-167.7-65.3000110.8N58 F59 G60 N90H56-N58 VanDerWaalsContact C-N 3.26Å; H56-N58 PolarHBondContact ND1-N 3.26Å; H56-N58 PolarHBondContact O-N 3.05Å; H56-F59 HydrophobicContact CB-CD1 4.44Å; H56-F59 HydrophobicContact CB-CD2 4.07Å; H56-F59 HydrophobicContact CB-CE1 4.11Å; H56-F59 HydrophobicContact CB-CE2 3.7Å; H56-F59 HydrophobicContact CB-CG 4.43Å; H56-F59 HydrophobicContact CB-CZ 3.71Å; H56-F59 AromaticContact CD2-CE1 3.28Å; H56-F59 WeakPolarHBondContact CD2-CE1 3.32Å; H56-F59 AromaticContact CD2-CZ 3.26Å; H56-F59 WeakPolarHBondContact CD2-CZ 3.22Å; H56-F59 AromaticContact CE1-CD1 3.48Å; H56-F59 VanDerWaalsContact CE1-CD1 3.48Å; H56-F59 WeakPolarHBondContact CE1-CD1 3.41Å; H56-F59 AromaticContact CE1-CE1 3.15Å; H56-F59 WeakPolarHBondContact CE1-CE1 3.44Å; H56-F59 AromaticContact CE1-CZ 3.96Å; H56-F59 AromaticContact CG-CD1 3.71Å; H56-F59 AromaticContact CG-CE1 3.23Å; H56-F59 AromaticContact CG-CE2 3.75Å; H56-F59 AromaticContact CG-CZ 3.24Å; H56-F59 AromaticContact ND1-CD1 3.23Å; H56-F59 WeakPolarHBondContact ND1-CD1 3.23Å; H56-F59 AromaticContact ND1-CE1 3.14Å; H56-F59 WeakPolarHBondContact ND1-CE1 3.45Å; H56-F59 AromaticContact ND1-CG 3.86Å; H56-F59 AromaticContact ND1-CZ 3.69Å; H56-F59 AromaticContact NE2-CE1 3.22Å; H56-F59 WeakPolarHBondContact NE2-CE1 3.31Å; H56-F59 AromaticContact NE2-CZ 3.73Å; H56-F59 PolarHBondContact O-N 2.81Å; H56-G60 WeakPolarHBondContact O-CA 3.14Å; H56-G60 PolarHBondContact O-N 3.27Å; H56-N90 HydrophobicContact CB-CB 3.75Å; H56-N90 PolarHBondContact N-O 2.91Å
57S84.3Confident94.1Very high44 Ų4437.4 Ų37.431%0.30818%0.178SC..THydrogen-bonded Turntrans-54.6-33.1-173.256.20000115.6A141S57-A141 WeakPolarHBondContact O-CB 3.28Å
58N79.9Confident94Very high111 Ų11137.7 Ų37.759%0.59418%0.179SC*.THydrogen-bonded Turntrans-85.3-21.6-176.6-63.1-23.5000115.7H56H56-N58 VanDerWaalsContact C-N 3.26Å; H56-N58 PolarHBondContact ND1-N 3.26Å; H56-N58 PolarHBondContact O-N 3.05Å
59F85.3Confident93.9Very high97 Ų9739.9 Ų39.943%0.42519%0.19SC..THydrogen-bonded Turntrans-148.3-6.4-171.360.6-106.4000114.9H56 N90 W435H56-F59 HydrophobicContact CB-CD1 4.44Å; H56-F59 HydrophobicContact CB-CD2 4.07Å; H56-F59 HydrophobicContact CB-CE1 4.11Å; H56-F59 HydrophobicContact CB-CE2 3.7Å; H56-F59 HydrophobicContact CB-CG 4.43Å; H56-F59 HydrophobicContact CB-CZ 3.71Å; H56-F59 AromaticContact CD2-CE1 3.28Å; H56-F59 WeakPolarHBondContact CD2-CE1 3.32Å; H56-F59 AromaticContact CD2-CZ 3.26Å; H56-F59 WeakPolarHBondContact CD2-CZ 3.22Å; H56-F59 AromaticContact CE1-CD1 3.48Å; H56-F59 VanDerWaalsContact CE1-CD1 3.48Å; H56-F59 WeakPolarHBondContact CE1-CD1 3.41Å; H56-F59 AromaticContact CE1-CE1 3.15Å; H56-F59 WeakPolarHBondContact CE1-CE1 3.44Å; H56-F59 AromaticContact CE1-CZ 3.96Å; H56-F59 AromaticContact CG-CD1 3.71Å; H56-F59 AromaticContact CG-CE1 3.23Å; H56-F59 AromaticContact CG-CE2 3.75Å; H56-F59 AromaticContact CG-CZ 3.24Å; H56-F59 AromaticContact ND1-CD1 3.23Å; H56-F59 WeakPolarHBondContact ND1-CD1 3.23Å; H56-F59 AromaticContact ND1-CE1 3.14Å; H56-F59 WeakPolarHBondContact ND1-CE1 3.45Å; H56-F59 AromaticContact ND1-CG 3.86Å; H56-F59 AromaticContact ND1-CZ 3.69Å; H56-F59 AromaticContact NE2-CE1 3.22Å; H56-F59 WeakPolarHBondContact NE2-CE1 3.31Å; H56-F59 AromaticContact NE2-CZ 3.73Å; H56-F59 PolarHBondContact O-N 2.81Å; F59-N90 HydrophobicContact CE2-CB 4.07Å; F59-N90 VanDerWaalsContact CE2-ND2 3.28Å; F59-N90 WeakPolarHBondContact CE2-ND2 3.29Å; F59-W435 HydrophobicContact CB-CZ2 4.46Å; F59-W435 WeakPolarHBondContact O-CZ2 3.48Å
60G92.6Very high93.6Very high0 Ų040.2 Ų40.20%019%0.194CC..PPolyproline II helixtrans-74.9127.1176.500000110.8W55 H56 N90 L144W55-G60 PolarHBondContact NE1-O 3.26Å; H56-G60 WeakPolarHBondContact O-CA 3.14Å; H56-G60 PolarHBondContact O-N 3.27Å; G60-N90 WeakPolarHBondContact CA-O 3.16Å; G60-L144 VanDerWaalsContact O-CD1 3.31Å; G60-L144 WeakPolarHBondContact O-CD1 3.34Å
61P95.9Very high93.4Very high1 Ų141.3 Ų41.31%0.00620%0.203CC..PPolyproline II helixtrans-75.8172.2173.935.2-36.9000111.5F63 F89 A91 M92 P145 L431P61-F63 HydrophobicContact CB-CE1 4.4Å; P61-F63 HydrophobicContact CG-CD1 4.11Å; P61-F63 HydrophobicContact CG-CE1 3.68Å; P61-F89 VanDerWaalsContact CD-O 3.29Å; P61-F89 WeakPolarHBondContact CD-O 3.28Å; P61-F89 HydrophobicContact CG-CB 4.13Å; P61-A91 HydrophobicContact CG-CB 3.81Å; P61-A91 CarbonylContact O-C 3.58Å; P61-A91 WeakPolarHBondContact O-CA 3.42Å; P61-A91 WeakPolarHBondContact O-CB 3.19Å; P61-M92 PolarHBondContact O-N 3.08Å; P61-P145 CarbonylContact C-O 3.44Å; P61-P145 WeakPolarHBondContact CA-O 3.28Å; P61-P145 HydrophobicContact CB-CB 4.12Å; P61-L431 HydrophobicContact CB-CD1 4.3Å; P61-L431 HydrophobicContact CB-CD2 3.67Å; P61-L431 HydrophobicContact CG-CD1 3.85Å; P61-L431 HydrophobicContact CG-CD2 4.16Å
62M97.3Very high93.5Very high0 Ų040.3 Ų40.30%020%0.197CC..EExtended strand (participates in β ladder)trans-95.7122.1163.1-179.7-168.6-6300109.3F64 M92 V94 I131 L134 L144 P145 V146 I147M62-F64 HydrophobicContact CG-CB 4.35Å; M62-F64 HydrophobicContact SD-CB 4.26Å; M62-F64 HydrophobicContact SD-CD2 3.83Å; M62-F64 HydrophobicContact SD-CG 4.5Å; M62-M92 HydrophobicContact CB-CG 3.74Å; M62-M92 HydrophobicContact CB-SD 3.96Å; M62-M92 HydrophobicContact CE-SD 3.73Å; M62-M92 HydrophobicContact CG-CG 3.89Å; M62-M92 HydrophobicContact CG-SD 3.9Å; M62-V94 HydrophobicContact CG-CB 4.45Å; M62-V94 HydrophobicContact CG-CG2 3.99Å; M62-V94 HydrophobicContact SD-CG2 4.24Å; M62-I131 HydrophobicContact SD-CG1 4.41Å; M62-L134 HydrophobicContact CE-CB 3.62Å; M62-L134 HydrophobicContact CE-CD1 4.04Å; M62-L134 HydrophobicContact CE-CG 4.5Å; M62-L134 HydrophobicContact SD-CD1 4.38Å; M62-L144 HydrophobicContact CB-CD1 4.03Å; M62-L144 HydrophobicContact CB-CD2 4.34Å; M62-L144 HydrophobicContact CB-CG 4.05Å; M62-L144 HydrophobicContact CE-CD2 3.56Å; M62-L144 HydrophobicContact CE-CG 4.3Å; M62-P145 PolarHBondContact N-O 2.9Å; M62-V146 HydrophobicContact CB-CG1 4.39Å; M62-V146 HydrophobicContact CB-CG2 4.22Å; M62-V146 HydrophobicContact CG-CG1 4.4Å; M62-V146 WeakPolarHBondContact O-CA 3.48Å; M62-V146 HydrophobicContact SD-CG1 4.1Å; M62-V146 HydrophobicContact SD-CG2 4.23Å; M62-I147 PolarHBondContact O-N 2.82Å
63F98.5Very high93.5Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-91.6113.2165.7-73.12000108.1P61 I82 S85 A86 F89 A91 M92 V94 I147 F149 I427P61-F63 HydrophobicContact CB-CE1 4.4Å; P61-F63 HydrophobicContact CG-CD1 4.11Å; P61-F63 HydrophobicContact CG-CE1 3.68Å; F63-I82 HydrophobicContact CB-CG2 3.89Å; F63-I82 HydrophobicContact CD2-CG2 4.08Å; F63-I82 HydrophobicContact CG-CG2 4.48Å; F63-S85 WeakPolarHBondContact CE2-OG 3.16Å; F63-A86 HydrophobicContact CD2-CB 3.91Å; F63-A86 HydrophobicContact CE2-CB 4.17Å; F63-F89 HydrophobicContact CE1-CG 4.5Å; F63-F89 AromaticContact CE2-CD2 3.97Å; F63-F89 HydrophobicContact CE2-CD2 3.97Å; F63-F89 HydrophobicContact CZ-CB 3.95Å; F63-F89 AromaticContact CZ-CD2 3.44Å; F63-F89 HydrophobicContact CZ-CD2 3.44Å; F63-F89 VanDerWaalsContact CZ-CD2 3.44Å; F63-F89 HydrophobicContact CZ-CE2 4.04Å; F63-F89 AromaticContact CZ-CG 3.76Å; F63-F89 HydrophobicContact CZ-CG 3.76Å; F63-A91 HydrophobicContact CD1-CB 3.87Å; F63-A91 HydrophobicContact CD2-CB 3.95Å; F63-A91 HydrophobicContact CE1-CB 4.01Å; F63-A91 HydrophobicContact CE2-CB 4.09Å; F63-A91 HydrophobicContact CG-CB 3.85Å; F63-A91 HydrophobicContact CZ-CB 4.13Å; F63-M92 PolarHBondContact N-O 2.89Å; F63-V94 PolarHBondContact O-N 3.25Å; F63-I147 HydrophobicContact CD1-CB 4.08Å; F63-I147 HydrophobicContact CD1-CG1 4.28Å; F63-I147 HydrophobicContact CE1-CB 4.25Å; F63-I147 HydrophobicContact CE1-CG1 4.07Å; F63-F149 HydrophobicContact CB-CD2 4.16Å; F63-F149 HydrophobicContact CB-CE2 3.61Å; F63-F149 HydrophobicContact CB-CZ 4.46Å; F63-F149 AromaticContact CD1-CE2 3.73Å; F63-F149 HydrophobicContact CD1-CE2 3.73Å; F63-F149 HydrophobicContact CD1-CZ 4.11Å; F63-F149 AromaticContact CD2-CE2 3.97Å; F63-F149 HydrophobicContact CD2-CE2 3.97Å; F63-F149 AromaticContact CD2-CZ 3.99Å; F63-F149 HydrophobicContact CD2-CZ 3.99Å; F63-F149 HydrophobicContact CE1-CE2 4.33Å; F63-F149 HydrophobicContact CE1-CZ 4.29Å; F63-F149 HydrophobicContact CE2-CZ 4.17Å; F63-F149 AromaticContact CG-CE2 3.51Å; F63-F149 HydrophobicContact CG-CE2 3.51Å; F63-F149 AromaticContact CG-CZ 3.95Å; F63-F149 HydrophobicContact CG-CZ 3.95Å; F63-F149 HydrophobicContact CZ-CZ 4.31Å; F63-I427 HydrophobicContact CE1-CG2 4.1Å; F63-I427 HydrophobicContact CZ-CG2 4.05Å
64F98.8Very high93.6Very high0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-115.4109.5-171.1-172.4-85.5000110.3M62 V94 A96 F127 L130 I131 V146 I147 A148 F149M62-F64 HydrophobicContact CG-CB 4.35Å; M62-F64 HydrophobicContact SD-CB 4.26Å; M62-F64 HydrophobicContact SD-CD2 3.83Å; M62-F64 HydrophobicContact SD-CG 4.5Å; F64-V94 CarbonylContact C-O 3.42Å; F64-V94 WeakPolarHBondContact CA-O 3.45Å; F64-V94 HydrophobicContact CD2-CB 3.99Å; F64-V94 HydrophobicContact CD2-CG1 3.75Å; F64-V94 HydrophobicContact CE2-CG1 3.84Å; F64-A96 HydrophobicContact CE1-CB 3.95Å; F64-A96 HydrophobicContact CE2-CB 3.87Å; F64-A96 HydrophobicContact CZ-CB 3.31Å; F64-F127 HydrophobicContact CE1-CB 3.81Å; F64-F127 AromaticContact CE1-CD1 3.98Å; F64-F127 HydrophobicContact CE1-CD1 3.98Å; F64-F127 HydrophobicContact CE1-CD2 4.42Å; F64-F127 AromaticContact CE1-CG 3.82Å; F64-F127 HydrophobicContact CE1-CG 3.82Å; F64-F127 HydrophobicContact CZ-CB 3.88Å; F64-F127 AromaticContact CZ-CD1 3.88Å; F64-F127 HydrophobicContact CZ-CD1 3.88Å; F64-F127 HydrophobicContact CZ-CG 4.04Å; F64-L130 HydrophobicContact CE2-CD2 4.04Å; F64-L130 HydrophobicContact CE2-CG 4.4Å; F64-L130 HydrophobicContact CZ-CD2 4.23Å; F64-I131 HydrophobicContact CD1-CD1 4.07Å; F64-I131 HydrophobicContact CD1-CG1 4.5Å; F64-I131 HydrophobicContact CD2-CD1 4.1Å; F64-I131 HydrophobicContact CD2-CG1 3.65Å; F64-I131 HydrophobicContact CE1-CD1 4.08Å; F64-I131 HydrophobicContact CE1-CG1 4.4Å; F64-I131 HydrophobicContact CE2-CD1 4.1Å; F64-I131 HydrophobicContact CE2-CG1 3.52Å; F64-I131 HydrophobicContact CG-CD1 4.07Å; F64-I131 HydrophobicContact CG-CG1 4.14Å; F64-I131 HydrophobicContact CZ-CD1 4.08Å; F64-I131 HydrophobicContact CZ-CG1 3.91Å; F64-V146 HydrophobicContact CB-CG1 3.75Å; F64-I147 PolarHBondContact N-O 3.25Å; F64-A148 CarbonylContact O-C 3.59Å; F64-A148 WeakPolarHBondContact O-CA 3.39Å; F64-F149 PolarHBondContact O-N 3.11Å
65Y98.9Very high94.1Very high9 Ų927.9 Ų27.94%0.03515%0.148CC..EExtended strand (participates in β ladder)trans-83.9122.1173.3-172-88.2000110.5G67 N68 F75 A79 I82 V94 F95 A96 F149 G151 L405Y65-G67 PolarHBondContact O-N 3.22Å; Y65-N68 PolarHBondContact OH-OD1 2.93Å; Y65-F75 HydrophobicContact CD1-CB 4.27Å; Y65-F75 HydrophobicContact CE1-CB 3.59Å; Y65-F75 HydrophobicContact CE1-CD2 4.04Å; Y65-F75 AromaticContact CE1-CG 3.82Å; Y65-F75 HydrophobicContact CE1-CG 3.82Å; Y65-A79 HydrophobicContact CD2-CB 4.43Å; Y65-A79 HydrophobicContact CE2-CB 4.16Å; Y65-I82 HydrophobicContact CD2-CD1 3.51Å; Y65-I82 HydrophobicContact CE2-CD1 4.32Å; Y65-I82 HydrophobicContact CG-CD1 4.35Å; Y65-V94 PolarHBondContact N-O 3.34Å; Y65-F95 AromaticContact CD1-CD1 3.49Å; Y65-F95 HydrophobicContact CD1-CD1 3.49Å; Y65-F95 VanDerWaalsContact CD1-CD1 3.49Å; Y65-F95 AromaticContact CD1-CE1 3.85Å; Y65-F95 HydrophobicContact CD1-CE1 3.85Å; Y65-F95 HydrophobicContact CD1-CG 4.45Å; Y65-F95 HydrophobicContact CD2-CD1 4.12Å; Y65-F95 AromaticContact CD2-CE1 3.65Å; Y65-F95 HydrophobicContact CD2-CE1 3.65Å; Y65-F95 HydrophobicContact CD2-CZ 4.38Å; Y65-F95 HydrophobicContact CE1-CD1 4.34Å; Y65-F95 HydrophobicContact CE1-CE1 4.5Å; Y65-F95 HydrophobicContact CE2-CE1 4.29Å; Y65-F95 AromaticContact CG-CD1 3.36Å; Y65-F95 HydrophobicContact CG-CD1 3.36Å; Y65-F95 AromaticContact CG-CE1 3.38Å; Y65-F95 HydrophobicContact CG-CE1 3.38Å; Y65-F95 HydrophobicContact CG-CG 4.23Å; Y65-F95 HydrophobicContact CG-CZ 4.29Å; Y65-A96 PolarHBondContact O-N 3.4Å; Y65-A96 VanDerWaalsContact O-N 3.1Å; Y65-F149 WeakPolarHBondContact CA-O 3.19Å; Y65-F149 HydrophobicContact CD2-CB 4.15Å; Y65-G151 PolarHBondContact OH-N 3.45Å; Y65-L405 HydrophobicContact CE2-CD1 4.42Å
66C98.9Very high94.3Very high0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-77.993.4172.6-64.80000109.2F127 F149 G154 L157 A158C66-F127 HydrophobicContact CB-CD2 4.25Å; C66-F127 HydrophobicContact CB-CE2 3.79Å; C66-F127 HydrophobicContact CB-CZ 4.36Å; C66-F149 PolarHBondContact N-O 3.08Å; C66-G154 WeakPolarHBondContact O-CA 3.19Å; C66-L157 HydrophobicContact CB-CB 3.8Å; C66-A158 HydrophobicContact CB-CB 4.49Å
67G98.6Very high94.5Very high1 Ų128.7 Ų28.71%0.0115%0.153CC..  trans-55.1147.7176.500000112.2Y65 A96 H98 F127 L157Y65-G67 PolarHBondContact O-N 3.22Å; G67-A96 WeakPolarHBondContact CA-O 3.35Å; G67-A96 PolarHBondContact N-O 2.93Å; G67-H98 WeakPolarHBondContact O-CB 3.37Å; G67-H98 PolarHBondContact O-CD2 3.07Å; G67-F127 WeakPolarHBondContact O-CZ 3.41Å; G67-L157 WeakPolarHBondContact O-CD1 3.48Å
68N97.2Very high95Very high6 Ų627.7 Ų27.73%0.03215%0.145CC..  trans-126-142.5-171.560.3-68000110.9Y65 G70 F75 H98 Y153 G154 L157Y65-N68 PolarHBondContact OH-OD1 2.93Å; N68-G70 PolarHBondContact O-N 3.22Å; N68-F75 HydrophobicContact CB-CZ 4.46Å; N68-F75 WeakPolarHBondContact ND2-CZ 3.42Å; N68-F75 VanDerWaalsContact OD1-CE1 3.23Å; N68-F75 WeakPolarHBondContact OD1-CE1 3.43Å; N68-F75 VanDerWaalsContact OD1-CE2 3.25Å; N68-F75 WeakPolarHBondContact OD1-CE2 3.37Å; N68-F75 WeakPolarHBondContact OD1-CZ 3.2Å; N68-H98 VanDerWaalsContact O-CB 3.28Å; N68-H98 WeakPolarHBondContact O-CB 3.45Å; N68-Y153 HydrophobicContact CB-CD1 3.84Å; N68-Y153 HydrophobicContact CB-CG 4.36Å; N68-G154 VanDerWaalsContact CB-N 3.34Å; N68-L157 HydrophobicContact CB-CD1 4.49Å
69E95Very high95.8Very high68 Ų6822.6 Ų22.632%0.31812%0.118SC..SBendtrans-77.244.5-167.269.5-78.4-17200115.2Y101 Y153E69-Y101 VanDerWaalsContact C-CE1 3.46Å; E69-Y101 HydrophobicContact CB-CD1 4.34Å; E69-Y101 HydrophobicContact CB-CE1 3.64Å; E69-Y101 HydrophobicContact CB-CE2 4.4Å; E69-Y153 VanDerWaalsContact OE2-CB 3.27Å; E69-Y153 WeakPolarHBondContact OE2-CB 3.32Å; E69-Y153 WeakPolarHBondContact OE2-CD1 3.41Å
70G93.5Very high96.4Very high7 Ų718 Ų187%0.07210%0.099CC..SBendtrans-169.2-176.6-177.500000114.4N68 V72 Y101N68-G70 PolarHBondContact O-N 3.22Å; G70-V72 PolarHBondContact O-N 2.78Å; G70-Y101 WeakPolarHBondContact O-CB 3.29Å
71S94.4Very high96.6Very high37 Ų3718.4 Ų18.426%0.25910%0.1SC..  trans-66130.1173.7-177.80000110.2R47 E73 G74R47-S71 PolarHBondContact NH2-OG 3.4Å; S71-E73 PolarHBondContact O-N 2.87Å; S71-E73 VanDerWaalsContact O-N 3.16Å; S71-G74 PolarHBondContact O-N 3Å; S71-G74 VanDerWaalsContact O-N 3.08Å
72V97.3Very high96.7Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-59.3-29.3-179.371.50000113.7L49 G70 G74 F75 A76 F95 E97L49-V72 HydrophobicContact CD1-CG1 3.98Å; L49-V72 HydrophobicContact CD1-CG2 4.41Å; L49-V72 HydrophobicContact CD2-CG1 4.22Å; L49-V72 HydrophobicContact CG-CG1 3.87Å; L49-V72 HydrophobicContact CG-CG2 4.48Å; G70-V72 PolarHBondContact O-N 2.78Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 2.91Å; V72-F75 PolarHBondContact O-N 2.88Å; V72-A76 PolarHBondContact O-N 3.22Å; V72-F95 HydrophobicContact CG2-CB 3.55Å; V72-E97 HydrophobicContact CB-CB 3.79Å; V72-E97 HydrophobicContact CB-CG 4.09Å; V72-E97 HydrophobicContact CG1-CB 3.93Å; V72-E97 HydrophobicContact CG1-CG 4.33Å; V72-E97 WeakPolarHBondContact CG1-OE1 3.27Å; V72-E97 HydrophobicContact CG2-CB 4.4Å; V72-E97 PolarHBondContact N-OE1 3.07Å
73E95.8Very high96.7Very high60 Ų6019.1 Ų19.128%0.2810%0.103SC..Hα-helixtrans-63.2-38177.4-70.3165.512500112.3R47 L49 S71 F75 A76 Q77R47-E73 IonicContact CZ-OE2 2.67Å; R47-E73 VanDerWaalsContact NH1-CD 3.27Å; R47-E73 IonicContact NH1-OE1 3.58Å; R47-E73 IonicContact NH1-OE2 2.72Å; R47-E73 PolarHBondContact NH1-OE2 2.95Å; R47-E73 IonicContact NH2-OE2 3.72Å; L49-E73 HydrophobicContact CD1-CG 4Å; L49-E73 HydrophobicContact CD2-CG 4.35Å; S71-E73 PolarHBondContact O-N 2.87Å; S71-E73 VanDerWaalsContact O-N 3.16Å; E73-F75 VanDerWaalsContact C-N 3.3Å; E73-F75 PolarHBondContact O-N 2.77Å; E73-A76 PolarHBondContact O-N 3.07Å; E73-Q77 WeakPolarHBondContact O-CB 3.45Å; E73-Q77 VanDerWaalsContact O-CG 3.25Å; E73-Q77 WeakPolarHBondContact O-CG 3.22Å; E73-Q77 PolarHBondContact O-N 3.17Å
74G93.4Very high96.6Very high24 Ų2420.3 Ų20.325%0.24711%0.109CC..Hα-helixtrans-64.5-37.4177.400000111.9S71 V72 N78S71-G74 PolarHBondContact O-N 3Å; S71-G74 VanDerWaalsContact O-N 3.08Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 2.91Å; G74-N78 WeakPolarHBondContact O-CB 3.17Å; G74-N78 PolarHBondContact O-N 2.85Å; G74-N78 PolarHBondContact O-ND2 2.95Å
75F96.6Very high96.4Very high19 Ų1920.5 Ų20.58%0.08311%0.111CC..Hα-helixtrans-69.9-43.3173.9-53.5-51.3000111.7Y65 N68 V72 E73 Q77 N78 A79 F95Y65-F75 HydrophobicContact CD1-CB 4.27Å; Y65-F75 HydrophobicContact CE1-CB 3.59Å; Y65-F75 HydrophobicContact CE1-CD2 4.04Å; Y65-F75 AromaticContact CE1-CG 3.82Å; Y65-F75 HydrophobicContact CE1-CG 3.82Å; N68-F75 HydrophobicContact CB-CZ 4.46Å; N68-F75 WeakPolarHBondContact ND2-CZ 3.42Å; N68-F75 VanDerWaalsContact OD1-CE1 3.23Å; N68-F75 WeakPolarHBondContact OD1-CE1 3.43Å; N68-F75 VanDerWaalsContact OD1-CE2 3.25Å; N68-F75 WeakPolarHBondContact OD1-CE2 3.37Å; N68-F75 WeakPolarHBondContact OD1-CZ 3.2Å; V72-F75 PolarHBondContact O-N 2.88Å; E73-F75 VanDerWaalsContact C-N 3.3Å; E73-F75 PolarHBondContact O-N 2.77Å; F75-Q77 VanDerWaalsContact C-N 3.27Å; F75-Q77 PolarHBondContact O-N 2.92Å; F75-N78 PolarHBondContact O-N 3.17Å; F75-N78 VanDerWaalsContact O-N 3.14Å; F75-A79 WeakPolarHBondContact O-CB 3.42Å; F75-A79 PolarHBondContact O-N 3.37Å; F75-F95 HydrophobicContact CB-CD1 4.4Å; F75-F95 HydrophobicContact CB-CE1 4.49Å
76A97.2Very high96.3Very high0 Ų020.4 Ų20.40%011%0.111CC..Hα-helixtrans-59-37.8175.900000112.8W23 L49 V72 E73 W83 F95W23-A76 HydrophobicContact CE3-CB 4.33Å; W23-A76 HydrophobicContact CH2-CB 4.37Å; W23-A76 HydrophobicContact CZ3-CB 4.22Å; L49-A76 HydrophobicContact CD1-CB 3.6Å; V72-A76 PolarHBondContact O-N 3.22Å; E73-A76 PolarHBondContact O-N 3.07Å; A76-W83 HydrophobicContact CB-CZ2 4.03Å; A76-W83 PolarHBondContact O-NE1 2.94Å; A76-F95 HydrophobicContact CB-CD1 4.06Å; A76-F95 HydrophobicContact CB-CD2 4.35Å; A76-F95 HydrophobicContact CB-CE1 4.25Å; A76-F95 HydrophobicContact CB-CG 4.14Å; A76-F95 HydrophobicContact CB-CZ 4.47Å
77Q95.2Very high96Very high118 Ų11825 Ų2555%0.55113%0.131SC*.Hα-helixtrans-69.2-33.6176.4-72.5168.5-16.800113.1W23 E73 F75W23-Q77 HydrophobicContact CH2-CG 3.71Å; W23-Q77 HydrophobicContact CZ2-CG 4.47Å; E73-Q77 WeakPolarHBondContact O-CB 3.45Å; E73-Q77 VanDerWaalsContact O-CG 3.25Å; E73-Q77 WeakPolarHBondContact O-CG 3.22Å; E73-Q77 PolarHBondContact O-N 3.17Å; F75-Q77 VanDerWaalsContact C-N 3.27Å; F75-Q77 PolarHBondContact O-N 2.92Å
78N95.1Very high95.8Very high23 Ų2327.9 Ų27.912%0.12316%0.155CC..Hα-helixtrans-101.3-18.4-171.9-77.3-85.3000114.6G74 F75 G80 F243 R406G74-N78 WeakPolarHBondContact O-CB 3.17Å; G74-N78 PolarHBondContact O-N 2.85Å; G74-N78 PolarHBondContact O-ND2 2.95Å; F75-N78 PolarHBondContact O-N 3.17Å; F75-N78 VanDerWaalsContact O-N 3.14Å; N78-G80 VanDerWaalsContact C-N 3.28Å; N78-G80 PolarHBondContact O-N 2.88Å; N78-F243 HydrophobicContact CB-CD2 3.84Å; N78-F243 HydrophobicContact CB-CE2 4.22Å; N78-R406 WeakPolarHBondContact O-CA 3.5Å; N78-R406 PolarHBondContact OD1-NH1 2.93Å; N78-R406 PolarHBondContact OD1-NH2 2.88Å
79A96.9Very high95.8Very high5 Ų528.6 Ų28.64%0.04116%0.158CC..  trans-91.451.5178.600000112.3Y65 F75 F81 I82 F95 L405Y65-A79 HydrophobicContact CD2-CB 4.43Å; Y65-A79 HydrophobicContact CE2-CB 4.16Å; F75-A79 WeakPolarHBondContact O-CB 3.42Å; F75-A79 PolarHBondContact O-N 3.37Å; A79-F81 VanDerWaalsContact C-N 3.27Å; A79-F81 PolarHBondContact O-N 3.25Å; A79-I82 HydrophobicContact CB-CD1 3.99Å; A79-I82 PolarHBondContact O-N 3.43Å; A79-F95 HydrophobicContact CB-CE1 3.89Å; A79-F95 HydrophobicContact CB-CZ 3.98Å; A79-L405 CarbonylContact C-O 3.11Å; A79-L405 VanDerWaalsContact CA-O 3.23Å; A79-L405 WeakPolarHBondContact CA-O 3.48Å
80G96.6Very high95.8Very high1 Ų128.1 Ų28.11%0.0116%0.158CC..Hα-helixtrans-55.7-32.7-174.600000115.9Y21 N78 I82 W83 D84 L405 G407Y21-G80 VanDerWaalsContact CE2-CA 3.48Å; Y21-G80 VanDerWaalsContact CZ-CA 3.42Å; Y21-G80 WeakPolarHBondContact OH-CA 3.32Å; N78-G80 VanDerWaalsContact C-N 3.28Å; N78-G80 PolarHBondContact O-N 2.88Å; G80-I82 PolarHBondContact O-N 3.07Å; G80-I82 VanDerWaalsContact O-N 3.16Å; G80-W83 WeakPolarHBondContact O-CB 3.39Å; G80-W83 PolarHBondContact O-N 2.83Å; G80-W83 VanDerWaalsContact O-N 3.1Å; G80-D84 PolarHBondContact O-N 3.05Å; G80-L405 PolarHBondContact N-O 3.48Å; G80-G407 VanDerWaalsContact CA-CA 3.47Å
81F97.9Very high95.9Very high8 Ų828 Ų284%0.03516%0.156CC..Hα-helixtrans-54.7-36.1178.6171-106.8000112.8A79 D84 S85 F149 L173 D404 L405 R406 R420 E423 I424A79-F81 VanDerWaalsContact C-N 3.27Å; A79-F81 PolarHBondContact O-N 3.25Å; F81-D84 PolarHBondContact O-N 3.2Å; F81-S85 WeakPolarHBondContact O-CB 3.38Å; F81-S85 PolarHBondContact O-N 3.36Å; F81-S85 PolarHBondContact O-OG 2.9Å; F81-F149 HydrophobicContact CE1-CE1 4.12Å; F81-L173 HydrophobicContact CD1-CD2 4.18Å; F81-L173 HydrophobicContact CE1-CD2 3.65Å; F81-D404 WeakPolarHBondContact CB-O 3.37Å; F81-L405 VanDerWaalsContact CB-O 3.3Å; F81-L405 WeakPolarHBondContact CB-O 3.49Å; F81-L405 HydrophobicContact CD1-CD2 4.15Å; F81-L405 PolarHBondContact N-O 3.47Å; F81-R406 PolarHBondContact N-O 3.38Å; F81-R420 HydrophobicContact CD2-CB 4.19Å; F81-R420 HydrophobicContact CD2-CG 3.78Å; F81-R420 HydrophobicContact CE2-CB 3.81Å; F81-R420 HydrophobicContact CE2-CG 3.86Å; F81-E423 HydrophobicContact CE1-CB 4.49Å; F81-E423 HydrophobicContact CZ-CB 3.95Å; F81-I424 HydrophobicContact CE2-CD1 4.11Å; F81-I424 HydrophobicContact CE2-CG1 3.98Å; F81-I424 HydrophobicContact CZ-CG1 3.97Å
82I98Very high96Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-66.5-45.1-178.8-58.2174.5000109.8F63 Y65 A79 G80 S85 A86 V93 F95 F149F63-I82 HydrophobicContact CB-CG2 3.89Å; F63-I82 HydrophobicContact CD2-CG2 4.08Å; F63-I82 HydrophobicContact CG-CG2 4.48Å; Y65-I82 HydrophobicContact CD2-CD1 3.51Å; Y65-I82 HydrophobicContact CE2-CD1 4.32Å; Y65-I82 HydrophobicContact CG-CD1 4.35Å; A79-I82 HydrophobicContact CB-CD1 3.99Å; A79-I82 PolarHBondContact O-N 3.43Å; G80-I82 PolarHBondContact O-N 3.07Å; G80-I82 VanDerWaalsContact O-N 3.16Å; I82-S85 PolarHBondContact O-OG 3.38Å; I82-A86 WeakPolarHBondContact O-CB 3.27Å; I82-A86 PolarHBondContact O-N 3.14Å; I82-V93 HydrophobicContact CG2-CG1 3.93Å; I82-F95 HydrophobicContact CB-CZ 4.36Å; I82-F95 HydrophobicContact CD1-CE1 4.3Å; I82-F95 HydrophobicContact CD1-CZ 3.84Å; I82-F95 HydrophobicContact CG2-CE2 4.39Å; I82-F149 HydrophobicContact CD1-CB 3.53Å; I82-F149 HydrophobicContact CD1-CD1 4.15Å; I82-F149 HydrophobicContact CD1-CD2 4.46Å; I82-F149 HydrophobicContact CD1-CG 3.82Å; I82-F149 HydrophobicContact CG1-CB 4.23Å; I82-F149 HydrophobicContact CG1-CD1 3.9Å; I82-F149 HydrophobicContact CG1-CE1 4.41Å; I82-F149 HydrophobicContact CG1-CG 3.99Å
83W97Very high96Very high15 Ų1526.4 Ų26.46%0.05715%0.145CC..Hα-helixtrans-66.6-41.9176.9-56.2104.8000112.4Y21 W23 N51 A76 G80 V93 F95Y21-W83 HydrophobicContact CD1-CB 3.32Å; Y21-W83 AromaticContact CD1-CD1 3.8Å; Y21-W83 HydrophobicContact CD1-CD2 4.31Å; Y21-W83 AromaticContact CD1-CG 3.53Å; Y21-W83 HydrophobicContact CD1-CG 3.53Å; Y21-W83 AromaticContact CD2-CD1 3.6Å; Y21-W83 HydrophobicContact CD2-CG 4.16Å; Y21-W83 AromaticContact CD2-NE1 3.99Å; Y21-W83 HydrophobicContact CE1-CB 3.47Å; Y21-W83 VanDerWaalsContact CE1-CB 3.47Å; Y21-W83 AromaticContact CE1-CG 4Å; Y21-W83 HydrophobicContact CE1-CG 4Å; Y21-W83 AromaticContact CE2-CD1 3.96Å; Y21-W83 HydrophobicContact CG-CB 3.96Å; Y21-W83 AromaticContact CG-CD1 3.52Å; Y21-W83 HydrophobicContact CG-CD2 4.15Å; Y21-W83 AromaticContact CG-CG 3.61Å; Y21-W83 HydrophobicContact CG-CG 3.61Å; Y21-W83 AromaticContact CG-NE1 3.96Å; W23-W83 HydrophobicContact CB-CH2 3.94Å; W23-W83 HydrophobicContact CE3-CH2 4.11Å; W23-W83 AromaticContact CE3-CZ2 3.89Å; W23-W83 HydrophobicContact CE3-CZ2 3.89Å; N51-W83 HydrophobicContact CB-CZ3 3.73Å; A76-W83 HydrophobicContact CB-CZ2 4.03Å; A76-W83 PolarHBondContact O-NE1 2.94Å; G80-W83 WeakPolarHBondContact O-CB 3.39Å; G80-W83 PolarHBondContact O-N 2.83Å; G80-W83 VanDerWaalsContact O-N 3.1Å; W83-V93 HydrophobicContact CD2-CG1 4.12Å; W83-V93 HydrophobicContact CE3-CB 3.94Å; W83-V93 HydrophobicContact CE3-CG1 3.74Å; W83-V93 HydrophobicContact CE3-CG2 4.03Å; W83-V93 HydrophobicContact CH2-CB 4.21Å; W83-V93 HydrophobicContact CH2-CG1 3.68Å; W83-V93 HydrophobicContact CZ2-CG1 4.08Å; W83-V93 HydrophobicContact CZ3-CB 3.63Å; W83-V93 HydrophobicContact CZ3-CG1 3.51Å; W83-V93 HydrophobicContact CZ3-CG2 4.21Å; W83-F95 HydrophobicContact CD2-CE2 4.43Å; W83-F95 AromaticContact CE2-CE2 3.53Å; W83-F95 HydrophobicContact CH2-CD2 4.1Å; W83-F95 HydrophobicContact CH2-CE2 4.02Å; W83-F95 AromaticContact CZ2-CD2 3.65Å; W83-F95 HydrophobicContact CZ2-CD2 3.65Å; W83-F95 AromaticContact CZ2-CE2 3.29Å; W83-F95 HydrophobicContact CZ2-CE2 3.29Å; W83-F95 HydrophobicContact CZ2-CZ 4.13Å; W83-F95 AromaticContact NE1-CE2 3.77Å; W83-F95 AromaticContact NE1-CZ 3.81Å
84D95.5Very high96.1Very high26 Ų2623.6 Ų23.614%0.13913%0.132CC..Hα-helixtrans-70.5-41.9-178-73.3-35000111.9Y21 G80 F81 K87 L408Y21-D84 PolarHBondContact OH-OD2 3.06Å; G80-D84 PolarHBondContact O-N 3.05Å; F81-D84 PolarHBondContact O-N 3.2Å; D84-K87 IonicContact OD1-NZ 3.76Å; D84-K87 PolarHBondContact OD1-NZ 2.98Å; D84-L408 HydrophobicContact CB-CD1 4.16Å; D84-L408 HydrophobicContact CB-CG 4.26Å; D84-L408 PolarHBondContact OD2-N 3.32Å
85S96.4Very high96.4Very high4 Ų422.4 Ų22.43%0.02812%0.12CC..Hα-helixtrans-72.4-34.8175.962.80000112.3F63 F81 I82 K87 A88 F89F63-S85 WeakPolarHBondContact CE2-OG 3.16Å; F81-S85 WeakPolarHBondContact O-CB 3.38Å; F81-S85 PolarHBondContact O-N 3.36Å; F81-S85 PolarHBondContact O-OG 2.9Å; I82-S85 PolarHBondContact O-OG 3.38Å; S85-K87 PolarHBondContact O-N 3.2Å; S85-A88 WeakPolarHBondContact O-CB 3.48Å; S85-A88 PolarHBondContact O-N 3.08Å; S85-F89 VanDerWaalsContact O-CD2 3.25Å; S85-F89 WeakPolarHBondContact O-CD2 3.4Å
86A96.2Very high96.5Very high6 Ų621.5 Ų21.55%0.0512%0.116CC..Hα-helixtrans-52.9-33.9179.400000113.2F63 I82 A88 F89 N90 A91 V93F63-A86 HydrophobicContact CD2-CB 3.91Å; F63-A86 HydrophobicContact CE2-CB 4.17Å; I82-A86 WeakPolarHBondContact O-CB 3.27Å; I82-A86 PolarHBondContact O-N 3.14Å; A86-A88 VanDerWaalsContact C-N 3.29Å; A86-A88 PolarHBondContact O-N 3.03Å; A86-F89 PolarHBondContact O-N 2.9Å; A86-N90 PolarHBondContact O-N 3.4Å; A86-A91 HydrophobicContact CB-CB 3.99Å; A86-A91 PolarHBondContact O-N 2.89Å; A86-V93 HydrophobicContact CB-CG2 3.42Å; A86-V93 VanDerWaalsContact CB-CG2 3.42Å
87K93.3Very high96.6Very high96 Ų9621.6 Ų21.642%0.41712%0.116SC..Hα-helixtrans-56.6-40.1174.3-64164.9-173.8159.20112.4D84 S85 F89 N90D84-K87 IonicContact OD1-NZ 3.76Å; D84-K87 PolarHBondContact OD1-NZ 2.98Å; S85-K87 PolarHBondContact O-N 3.2Å; K87-F89 VanDerWaalsContact C-N 3.31Å; K87-F89 PolarHBondContact O-N 3.5Å; K87-N90 PolarHBondContact O-OD1 3.28Å
88A93.8Very high96.8Very high63 Ų6316 Ų1652%0.5219%0.09SC..Hα-helixtrans-77.8-16.6-17800000113.5S85 A86S85-A88 WeakPolarHBondContact O-CB 3.48Å; S85-A88 PolarHBondContact O-N 3.08Å; A86-A88 VanDerWaalsContact C-N 3.29Å; A86-A88 PolarHBondContact O-N 3.03Å
89F95.6Very high96.9Very high21 Ų2114.9 Ų14.99%0.0928%0.084CC..Hα-helixtrans-108.3-1.6-179.5-67.2-82.4000113.1P61 F63 S85 A86 K87 A91 I424 I427 R428 L431P61-F89 VanDerWaalsContact CD-O 3.29Å; P61-F89 WeakPolarHBondContact CD-O 3.28Å; P61-F89 HydrophobicContact CG-CB 4.13Å; F63-F89 HydrophobicContact CE1-CG 4.5Å; F63-F89 AromaticContact CE2-CD2 3.97Å; F63-F89 HydrophobicContact CE2-CD2 3.97Å; F63-F89 HydrophobicContact CZ-CB 3.95Å; F63-F89 AromaticContact CZ-CD2 3.44Å; F63-F89 HydrophobicContact CZ-CD2 3.44Å; F63-F89 VanDerWaalsContact CZ-CD2 3.44Å; F63-F89 HydrophobicContact CZ-CE2 4.04Å; F63-F89 AromaticContact CZ-CG 3.76Å; F63-F89 HydrophobicContact CZ-CG 3.76Å; S85-F89 VanDerWaalsContact O-CD2 3.25Å; S85-F89 WeakPolarHBondContact O-CD2 3.4Å; A86-F89 PolarHBondContact O-N 2.9Å; K87-F89 VanDerWaalsContact C-N 3.31Å; K87-F89 PolarHBondContact O-N 3.5Å; F89-A91 HydrophobicContact CB-CB 4.13Å; F89-A91 PolarHBondContact O-N 2.79Å; F89-I424 HydrophobicContact CE2-CG2 4.05Å; F89-I424 HydrophobicContact CZ-CG2 3.85Å; F89-I427 HydrophobicContact CD1-CG2 4.19Å; F89-I427 HydrophobicContact CE1-CB 4.28Å; F89-I427 HydrophobicContact CE1-CG2 3.6Å; F89-I427 HydrophobicContact CE2-CB 4.5Å; F89-I427 HydrophobicContact CE2-CG2 4.03Å; F89-I427 HydrophobicContact CZ-CB 3.86Å; F89-I427 HydrophobicContact CZ-CG2 3.51Å; F89-R428 HydrophobicContact CE1-CB 4.34Å; F89-R428 HydrophobicContact CE1-CG 3.41Å; F89-R428 VanDerWaalsContact CE1-CG 3.41Å; F89-R428 HydrophobicContact CZ-CG 3.69Å; F89-L431 HydrophobicContact CD1-CD1 3.55Å; F89-L431 HydrophobicContact CE1-CD1 3.86Å; F89-L431 HydrophobicContact CG-CD1 4.47Å
90N95Very high96.9Very high57 Ų5714.7 Ų14.731%0.3058%0.082SC..THydrogen-bonded Turntrans47.242.8-166.7-60.4-5.2000110.9R54 W55 H56 F59 G60 A86 K87R54-N90 WeakPolarHBondContact O-CA 3.22Å; W55-N90 WeakPolarHBondContact CA-O 3.15Å; W55-N90 VanDerWaalsContact CD1-O 3.26Å; H56-N90 HydrophobicContact CB-CB 3.75Å; H56-N90 PolarHBondContact N-O 2.91Å; F59-N90 HydrophobicContact CE2-CB 4.07Å; F59-N90 VanDerWaalsContact CE2-ND2 3.28Å; F59-N90 WeakPolarHBondContact CE2-ND2 3.29Å; G60-N90 WeakPolarHBondContact CA-O 3.16Å; A86-N90 PolarHBondContact O-N 3.4Å; K87-N90 PolarHBondContact O-OD1 3.28Å
91A96.3Very high96.9Very high4 Ų414.6 Ų14.63%0.0338%0.082CC..  trans-82.9146.2-173.800000111.1P61 F63 A86 F89P61-A91 HydrophobicContact CG-CB 3.81Å; P61-A91 CarbonylContact O-C 3.58Å; P61-A91 WeakPolarHBondContact O-CA 3.42Å; P61-A91 WeakPolarHBondContact O-CB 3.19Å; F63-A91 HydrophobicContact CD1-CB 3.87Å; F63-A91 HydrophobicContact CD2-CB 3.95Å; F63-A91 HydrophobicContact CE1-CB 4.01Å; F63-A91 HydrophobicContact CE2-CB 4.09Å; F63-A91 HydrophobicContact CG-CB 3.85Å; F63-A91 HydrophobicContact CZ-CB 4.13Å; A86-A91 HydrophobicContact CB-CB 3.99Å; A86-A91 PolarHBondContact O-N 2.89Å; F89-A91 HydrophobicContact CB-CB 4.13Å; F89-A91 PolarHBondContact O-N 2.79Å
92M96.3Very high96.8Very high0 Ų015.6 Ų15.60%09%0.094CC..EExtended strand (participates in β ladder)trans-76.2147.5157.864.8169.166.600108.3N51 T52 W55 P61 M62 F63 V94 F138 L144N51-M92 WeakPolarHBondContact O-CA 3.26Å; T52-M92 HydrophobicContact CG2-CB 4.21Å; W55-M92 HydrophobicContact CB-CB 3.85Å; W55-M92 HydrophobicContact CD2-CB 4.11Å; W55-M92 HydrophobicContact CD2-CE 3.4Å; W55-M92 HydrophobicContact CE3-CE 3.58Å; W55-M92 HydrophobicContact CG-CB 3.63Å; W55-M92 HydrophobicContact CG-CE 4.12Å; W55-M92 HydrophobicContact CG-CG 4.33Å; W55-M92 HydrophobicContact CH2-CE 3.58Å; W55-M92 HydrophobicContact CZ2-CE 3.36Å; W55-M92 HydrophobicContact CZ3-CE 3.67Å; P61-M92 PolarHBondContact O-N 3.08Å; M62-M92 HydrophobicContact CB-CG 3.74Å; M62-M92 HydrophobicContact CB-SD 3.96Å; M62-M92 HydrophobicContact CE-SD 3.73Å; M62-M92 HydrophobicContact CG-CG 3.89Å; M62-M92 HydrophobicContact CG-SD 3.9Å; F63-M92 PolarHBondContact N-O 2.89Å; M92-V94 HydrophobicContact SD-CG2 4.37Å; M92-F138 HydrophobicContact CE-CB 4.37Å; M92-F138 HydrophobicContact CE-CD1 4.42Å; M92-F138 HydrophobicContact CE-CD2 3.84Å; M92-F138 HydrophobicContact CE-CE2 4.25Å; M92-F138 HydrophobicContact CE-CG 3.95Å; M92-F138 HydrophobicContact SD-CD2 4.47Å; M92-L144 HydrophobicContact CE-CD1 4.06Å; M92-L144 HydrophobicContact CE-CD2 3.67Å; M92-L144 HydrophobicContact SD-CD1 4.41Å; M92-L144 HydrophobicContact SD-CD2 3.88Å
93V98.1Very high96.7Very high5 Ų520.3 Ų20.33%0.0311%0.114CC..EExtended strand (participates in β ladder)trans-115.8127.8178.2-177.60000108.7I50 N51 I82 W83 A86 F95I50-V93 CarbonylContact C-O 3.49Å; I50-V93 WeakPolarHBondContact CA-O 3.44Å; N51-V93 PolarHBondContact N-O 3.48Å; N51-V93 PolarHBondContact O-N 3.4Å; I82-V93 HydrophobicContact CG2-CG1 3.93Å; W83-V93 HydrophobicContact CD2-CG1 4.12Å; W83-V93 HydrophobicContact CE3-CB 3.94Å; W83-V93 HydrophobicContact CE3-CG1 3.74Å; W83-V93 HydrophobicContact CE3-CG2 4.03Å; W83-V93 HydrophobicContact CH2-CB 4.21Å; W83-V93 HydrophobicContact CH2-CG1 3.68Å; W83-V93 HydrophobicContact CZ2-CG1 4.08Å; W83-V93 HydrophobicContact CZ3-CB 3.63Å; W83-V93 HydrophobicContact CZ3-CG1 3.51Å; W83-V93 HydrophobicContact CZ3-CG2 4.21Å; A86-V93 HydrophobicContact CB-CG2 3.42Å; A86-V93 VanDerWaalsContact CB-CG2 3.42Å; V93-F95 HydrophobicContact CG1-CD2 3.81Å; V93-F95 HydrophobicContact CG1-CE2 3.49Å; V93-F95 VanDerWaalsContact CG1-CE2 3.49Å
94V98.6Very high96.7Very high0 Ų019.6 Ų19.60%011%0.112CC..EExtended strand (participates in β ladder)trans-129.5124.3179.6179.80000108.5Y48 L49 I50 M62 F63 F64 Y65 M92 L134Y48-V94 HydrophobicContact CD2-CG1 4.21Å; L49-V94 CarbonylContact O-C 3.6Å; L49-V94 VanDerWaalsContact O-CA 3.27Å; L49-V94 WeakPolarHBondContact O-CA 3.33Å; I50-V94 HydrophobicContact CD1-CG2 4.22Å; I50-V94 HydrophobicContact CG1-CG2 4.13Å; M62-V94 HydrophobicContact CG-CB 4.45Å; M62-V94 HydrophobicContact CG-CG2 3.99Å; M62-V94 HydrophobicContact SD-CG2 4.24Å; F63-V94 PolarHBondContact O-N 3.25Å; F64-V94 CarbonylContact C-O 3.42Å; F64-V94 WeakPolarHBondContact CA-O 3.45Å; F64-V94 HydrophobicContact CD2-CB 3.99Å; F64-V94 HydrophobicContact CD2-CG1 3.75Å; F64-V94 HydrophobicContact CE2-CG1 3.84Å; Y65-V94 PolarHBondContact N-O 3.34Å; M92-V94 HydrophobicContact SD-CG2 4.37Å; V94-L134 HydrophobicContact CG1-CD1 3.86Å; V94-L134 HydrophobicContact CG2-CD1 4.02Å
95F98.8Very high96.8Very high0 Ų020.7 Ų20.70%012%0.117CC..EExtended strand (participates in β ladder)trans-110.7112.2167.6-75.7-111.4000108.6Y48 L49 Y65 V72 F75 A76 A79 I82 W83 V93Y48-F95 CarbonylContact C-O 3.5Å; Y48-F95 WeakPolarHBondContact CA-O 3.09Å; Y48-F95 WeakPolarHBondContact CB-O 3.34Å; L49-F95 HydrophobicContact CB-CB 4.23Å; L49-F95 HydrophobicContact CD1-CB 4.49Å; L49-F95 PolarHBondContact N-O 2.99Å; L49-F95 PolarHBondContact O-N 3.11Å; Y65-F95 AromaticContact CD1-CD1 3.49Å; Y65-F95 HydrophobicContact CD1-CD1 3.49Å; Y65-F95 VanDerWaalsContact CD1-CD1 3.49Å; Y65-F95 AromaticContact CD1-CE1 3.85Å; Y65-F95 HydrophobicContact CD1-CE1 3.85Å; Y65-F95 HydrophobicContact CD1-CG 4.45Å; Y65-F95 HydrophobicContact CD2-CD1 4.12Å; Y65-F95 AromaticContact CD2-CE1 3.65Å; Y65-F95 HydrophobicContact CD2-CE1 3.65Å; Y65-F95 HydrophobicContact CD2-CZ 4.38Å; Y65-F95 HydrophobicContact CE1-CD1 4.34Å; Y65-F95 HydrophobicContact CE1-CE1 4.5Å; Y65-F95 HydrophobicContact CE2-CE1 4.29Å; Y65-F95 AromaticContact CG-CD1 3.36Å; Y65-F95 HydrophobicContact CG-CD1 3.36Å; Y65-F95 AromaticContact CG-CE1 3.38Å; Y65-F95 HydrophobicContact CG-CE1 3.38Å; Y65-F95 HydrophobicContact CG-CG 4.23Å; Y65-F95 HydrophobicContact CG-CZ 4.29Å; V72-F95 HydrophobicContact CG2-CB 3.55Å; F75-F95 HydrophobicContact CB-CD1 4.4Å; F75-F95 HydrophobicContact CB-CE1 4.49Å; A76-F95 HydrophobicContact CB-CD1 4.06Å; A76-F95 HydrophobicContact CB-CD2 4.35Å; A76-F95 HydrophobicContact CB-CE1 4.25Å; A76-F95 HydrophobicContact CB-CG 4.14Å; A76-F95 HydrophobicContact CB-CZ 4.47Å; A79-F95 HydrophobicContact CB-CE1 3.89Å; A79-F95 HydrophobicContact CB-CZ 3.98Å; I82-F95 HydrophobicContact CB-CZ 4.36Å; I82-F95 HydrophobicContact CD1-CE1 4.3Å; I82-F95 HydrophobicContact CD1-CZ 3.84Å; I82-F95 HydrophobicContact CG2-CE2 4.39Å; W83-F95 HydrophobicContact CD2-CE2 4.43Å; W83-F95 AromaticContact CE2-CE2 3.53Å; W83-F95 HydrophobicContact CH2-CD2 4.1Å; W83-F95 HydrophobicContact CH2-CE2 4.02Å; W83-F95 AromaticContact CZ2-CD2 3.65Å; W83-F95 HydrophobicContact CZ2-CD2 3.65Å; W83-F95 AromaticContact CZ2-CE2 3.29Å; W83-F95 HydrophobicContact CZ2-CE2 3.29Å; W83-F95 HydrophobicContact CZ2-CZ 4.13Å; W83-F95 AromaticContact NE1-CE2 3.77Å; W83-F95 AromaticContact NE1-CZ 3.81Å; V93-F95 HydrophobicContact CG1-CD2 3.81Å; V93-F95 HydrophobicContact CG1-CE2 3.49Å; V93-F95 VanDerWaalsContact CG1-CE2 3.49Å
96A98.9Very high96.8Very high0 Ų020.9 Ų20.90%012%0.118CC..EExtended strand (participates in β ladder)trans-92.1131.1178.900000110.4F64 Y65 G67 F127 L130F64-A96 HydrophobicContact CE1-CB 3.95Å; F64-A96 HydrophobicContact CE2-CB 3.87Å; F64-A96 HydrophobicContact CZ-CB 3.31Å; Y65-A96 PolarHBondContact O-N 3.4Å; Y65-A96 VanDerWaalsContact O-N 3.1Å; G67-A96 WeakPolarHBondContact CA-O 3.35Å; G67-A96 PolarHBondContact N-O 2.93Å; A96-F127 HydrophobicContact CB-CD1 3.71Å; A96-F127 HydrophobicContact CB-CE1 3.69Å; A96-L130 HydrophobicContact CB-CD2 3.6Å
97E98.8Very high96.7Very high1 Ų122.8 Ų22.81%0.00513%0.126CC..PPolyproline II helixtrans-76.7143176.3-171.8155.3-101.900111.2L46 R47 V72 Y101 G102 K103 S104L46-E97 WeakPolarHBondContact CD1-O 3.44Å; R47-E97 HydrophobicContact CB-CB 4.1Å; R47-E97 WeakPolarHBondContact CB-OE2 3.39Å; R47-E97 IonicContact CZ-OE1 2.63Å; R47-E97 IonicContact CZ-OE2 2.93Å; R47-E97 IonicContact NE-OE1 2.69Å; R47-E97 PolarHBondContact NE-OE1 3.26Å; R47-E97 IonicContact NE-OE2 3.17Å; R47-E97 PolarHBondContact NE-OE2 3.05Å; R47-E97 IonicContact NH2-OE1 3.01Å; R47-E97 PolarHBondContact NH2-OE1 3.42Å; R47-E97 IonicContact NH2-OE2 2.78Å; R47-E97 VanDerWaalsContact O-CB 3.26Å; R47-E97 WeakPolarHBondContact O-CB 3.44Å; R47-E97 PolarHBondContact O-N 3.35Å; V72-E97 HydrophobicContact CB-CB 3.79Å; V72-E97 HydrophobicContact CB-CG 4.09Å; V72-E97 HydrophobicContact CG1-CB 3.93Å; V72-E97 HydrophobicContact CG1-CG 4.33Å; V72-E97 WeakPolarHBondContact CG1-OE1 3.27Å; V72-E97 HydrophobicContact CG2-CB 4.4Å; V72-E97 PolarHBondContact N-OE1 3.07Å; E97-Y101 VanDerWaalsContact CD-O 3.23Å; E97-Y101 WeakPolarHBondContact CG-O 3.46Å; E97-G102 WeakPolarHBondContact OE1-CA 3.34Å; E97-K103 PolarHBondContact OE2-N 2.65Å; E97-S104 WeakPolarHBondContact CB-OG 3.18Å; E97-S104 WeakPolarHBondContact CG-OG 3.38Å; E97-S104 PolarHBondContact OE2-N 2.91Å; E97-S104 VanDerWaalsContact OE2-N 3.09Å; E97-S104 PolarHBondContact OE2-OG 2.8Å
98H98.6Very high96.7Very high0 Ų019.9 Ų19.90%012%0.123CC..PPolyproline II helixtrans-73.4137.9174.7-165.5-69.5000110.3G67 N68 Y100 Y101 A123 Y153G67-H98 WeakPolarHBondContact O-CB 3.37Å; G67-H98 PolarHBondContact O-CD2 3.07Å; N68-H98 VanDerWaalsContact O-CB 3.28Å; N68-H98 WeakPolarHBondContact O-CB 3.45Å; H98-Y100 PolarHBondContact O-N 3.5Å; H98-Y101 HydrophobicContact CB-CD2 3.74Å; H98-Y101 HydrophobicContact CB-CG 4.44Å; H98-Y101 AromaticContact CG-CD2 3.74Å; H98-Y101 AromaticContact ND1-CD2 3.44Å; H98-Y101 WeakPolarHBondContact ND1-CD2 3.4Å; H98-Y101 AromaticContact ND1-CE2 3.64Å; H98-Y101 PolarHBondContact O-N 2.82Å; H98-A123 WeakPolarHBondContact NE2-CB 3.12Å; H98-Y153 AromaticContact CD2-CE1 3.88Å; H98-Y153 AromaticContact NE2-CE1 3.59Å; H98-Y153 AromaticContact NE2-CZ 3.77Å; H98-Y153 PolarHBondContact NE2-OH 3.36Å; H98-Y153 VanDerWaalsContact NE2-OH 3.17Å
99R98Very high96.5Very high0 Ų023.7 Ų23.70%013%0.134CC..THydrogen-bonded Turntrans-51.3143.717157.7166.261.8-155.3-3.5111.3P32 V33 H35 F44 Y101 S104 P106 K117 Q122 A123 D126P32-R99 PolarHBondContact O-NH2 2.97Å; V33-R99 PolarHBondContact O-NH1 3.17Å; H35-R99 PolarHBondContact CD2-NH2 3Å; H35-R99 VanDerWaalsContact CD2-NH2 3.32Å; H35-R99 PolarHBondContact NE2-NH2 3Å; F44-R99 HydrophobicContact CE2-CB 4.4Å; F44-R99 HydrophobicContact CZ-CB 4Å; R99-Y101 WeakPolarHBondContact O-CD2 3.43Å; R99-Y101 PolarHBondContact O-N 2.83Å; R99-S104 CarbonylContact C-O 3.57Å; R99-P106 HydrophobicContact CB-CG 4.28Å; R99-K117 WeakPolarHBondContact CD-O 3.21Å; R99-K117 PolarHBondContact NH1-O 3.35Å; R99-Q122 VanDerWaalsContact CZ-CB 3.47Å; R99-A123 HydrophobicContact CG-CB 4.34Å; R99-D126 WeakPolarHBondContact CB-OD2 3.38Å; R99-D126 IonicContact CZ-OD1 3.76Å; R99-D126 IonicContact CZ-OD2 3.67Å; R99-D126 IonicContact NE-OD1 3.53Å; R99-D126 IonicContact NE-OD2 3.99Å; R99-D126 PolarHBondContact NE-OD2 2.98Å; R99-D126 VanDerWaalsContact NH2-CG 3.28Å; R99-D126 IonicContact NH2-OD1 3.64Å; R99-D126 PolarHBondContact NH2-OD1 3.25Å; R99-D126 IonicContact NH2-OD2 3.83Å; R99-D126 PolarHBondContact NH2-OD2 3.25Å
100Y97.2Very high96.4Very high1 Ų127.4 Ų27.40%0.00415%0.153CC..THydrogen-bonded Turntrans71.2-13.6-172.2-61.8-102.9000115.9H98 S104 L105 P106 M114 L115 K117 L118 Y306H98-Y100 PolarHBondContact O-N 3.5Å; Y100-S104 WeakPolarHBondContact CA-O 3.26Å; Y100-S104 PolarHBondContact N-O 2.82Å; Y100-L105 WeakPolarHBondContact O-CD2 3.35Å; Y100-P106 HydrophobicContact CD2-CG 3.96Å; Y100-P106 HydrophobicContact CE2-CG 3.63Å; Y100-M114 VanDerWaalsContact CE1-O 3.29Å; Y100-M114 WeakPolarHBondContact CE1-O 3.12Å; Y100-M114 PolarHBondContact OH-O 2.84Å; Y100-L115 HydrophobicContact CD1-CD2 4.28Å; Y100-L115 HydrophobicContact CE1-CD2 4.26Å; Y100-K117 VanDerWaalsContact CE2-C 3.44Å; Y100-K117 HydrophobicContact CE2-CB 4.33Å; Y100-K117 WeakPolarHBondContact CE2-O 3.47Å; Y100-K117 WeakPolarHBondContact OH-CA 3.46Å; Y100-K117 WeakPolarHBondContact OH-CB 3.45Å; Y100-K117 PolarHBondContact OH-N 2.82Å; Y100-L118 HydrophobicContact CD1-CB 4.42Å; Y100-L118 HydrophobicContact CD2-CB 3.75Å; Y100-L118 HydrophobicContact CD2-CD1 3.79Å; Y100-L118 HydrophobicContact CD2-CG 4.28Å; Y100-L118 HydrophobicContact CE1-CB 4.39Å; Y100-L118 HydrophobicContact CE2-CB 3.75Å; Y100-L118 HydrophobicContact CG-CB 4.11Å; Y100-L118 HydrophobicContact CG-CD1 4.08Å; Y100-L118 HydrophobicContact CG-CD2 4.43Å; Y100-L118 HydrophobicContact CG-CG 4.43Å; Y100-Y306 WeakPolarHBondContact O-CD2 3.46Å; Y100-Y306 WeakPolarHBondContact O-CE2 3.34Å
101Y96.6Very high96.2Very high0 Ų024.7 Ų24.70%014%0.138CC..SBendtrans-100.9155.9179.6-64.5-85.4000112.1E69 G70 E97 H98 R99 K103 S104 L118 Q303 Y306 A307 Q310E69-Y101 VanDerWaalsContact C-CE1 3.46Å; E69-Y101 HydrophobicContact CB-CD1 4.34Å; E69-Y101 HydrophobicContact CB-CE1 3.64Å; E69-Y101 HydrophobicContact CB-CE2 4.4Å; G70-Y101 WeakPolarHBondContact O-CB 3.29Å; E97-Y101 VanDerWaalsContact CD-O 3.23Å; E97-Y101 WeakPolarHBondContact CG-O 3.46Å; H98-Y101 HydrophobicContact CB-CD2 3.74Å; H98-Y101 HydrophobicContact CB-CG 4.44Å; H98-Y101 AromaticContact CG-CD2 3.74Å; H98-Y101 AromaticContact ND1-CD2 3.44Å; H98-Y101 WeakPolarHBondContact ND1-CD2 3.4Å; H98-Y101 AromaticContact ND1-CE2 3.64Å; H98-Y101 PolarHBondContact O-N 2.82Å; R99-Y101 WeakPolarHBondContact O-CD2 3.43Å; R99-Y101 PolarHBondContact O-N 2.83Å; Y101-K103 PolarHBondContact O-N 3.3Å; Y101-K103 VanDerWaalsContact O-N 3.15Å; Y101-S104 PolarHBondContact O-N 3.1Å; Y101-L118 HydrophobicContact CE2-CD1 4.22Å; Y101-Q303 HydrophobicContact CD1-CB 4.24Å; Y101-Q303 HydrophobicContact CD1-CG 4.06Å; Y101-Q303 HydrophobicContact CE1-CB 4.25Å; Y101-Y306 HydrophobicContact CD1-CD2 4.47Å; Y101-Y306 HydrophobicContact CE1-CD2 4.34Å; Y101-A307 WeakPolarHBondContact OH-CA 3.49Å; Y101-A307 PolarHBondContact OH-N 3.04Å; Y101-A307 VanDerWaalsContact OH-N 3.15Å; Y101-Q310 PolarHBondContact OH-OE1 2.93Å
102G94.9Very high95.8Very high28 Ų2830.9 Ų30.929%0.28916%0.161SC..THydrogen-bonded Turntrans53.9-116.2-177.900000112.9E97E97-G102 WeakPolarHBondContact OE1-CA 3.34Å
103K96Very high95.4Very high100 Ų10037.9 Ų37.944%0.43519%0.189SC..THydrogen-bonded Turntrans-103.3-1.4-179.7-54.1-179.9-172.3162.50112.8E25 W27 E97 Y101 L105E25-K103 IonicContact OE1-NZ 2.63Å; E25-K103 PolarHBondContact OE1-NZ 2.96Å; E25-K103 IonicContact OE2-NZ 3.6Å; E25-K103 PolarHBondContact OE2-NZ 2.8Å; W27-K103 HydrophobicContact CH2-CB 3.59Å; W27-K103 HydrophobicContact CH2-CD 4.22Å; W27-K103 HydrophobicContact CZ2-CB 4.36Å; W27-K103 HydrophobicContact CZ2-CD 4.17Å; W27-K103 HydrophobicContact CZ3-CB 4.48Å; E97-K103 PolarHBondContact OE2-N 2.65Å; Y101-K103 PolarHBondContact O-N 3.3Å; Y101-K103 VanDerWaalsContact O-N 3.15Å; K103-L105 PolarHBondContact O-N 2.96Å; K103-L105 VanDerWaalsContact O-N 3.17Å
104S97.9Very high95.1Very high0 Ų041.8 Ų41.80%021%0.208CC..  trans-89.669-175.5-63.80000112.3R47 E97 R99 Y100 Y101 P106R47-S104 VanDerWaalsContact CB-OG 3.28Å; R47-S104 WeakPolarHBondContact CB-OG 3.29Å; R47-S104 PolarHBondContact N-OG 3.34Å; E97-S104 WeakPolarHBondContact CB-OG 3.18Å; E97-S104 WeakPolarHBondContact CG-OG 3.38Å; E97-S104 PolarHBondContact OE2-N 2.91Å; E97-S104 VanDerWaalsContact OE2-N 3.09Å; E97-S104 PolarHBondContact OE2-OG 2.8Å; R99-S104 CarbonylContact C-O 3.57Å; Y100-S104 WeakPolarHBondContact CA-O 3.26Å; Y100-S104 PolarHBondContact N-O 2.82Å; Y101-S104 PolarHBondContact O-N 3.1Å; S104-P106 WeakPolarHBondContact O-CD 3.42Å
105L96.5Very high94.9Very high48 Ų4843 Ų4325%0.25121%0.214SC..  trans-103109.5-171.9-57-178.4000111.7Y100 K103 F107 G108Y100-L105 WeakPolarHBondContact O-CD2 3.35Å; K103-L105 PolarHBondContact O-N 2.96Å; K103-L105 VanDerWaalsContact O-N 3.17Å; L105-F107 PolarHBondContact O-N 2.88Å; L105-G108 PolarHBondContact O-N 2.8Å; L105-G108 VanDerWaalsContact O-N 3.08Å
106P96.4Very high94.5Very high8 Ų846.5 Ų46.55%0.05225%0.25CS..THydrogen-bonded Turntrans-56.7-25.8-175.6-30.838.5000116V33 F44 R99 Y100 S104V33-P106 HydrophobicContact CG2-CB 4.27Å; F44-P106 HydrophobicContact CB-CB 4.48Å; F44-P106 HydrophobicContact CD1-CB 4.17Å; F44-P106 HydrophobicContact CD1-CG 4.31Å; F44-P106 HydrophobicContact CD2-CB 4.39Å; F44-P106 HydrophobicContact CD2-CG 4.13Å; F44-P106 HydrophobicContact CE1-CG 4.22Å; F44-P106 HydrophobicContact CE2-CG 4.04Å; F44-P106 HydrophobicContact CG-CB 4.11Å; F44-P106 HydrophobicContact CG-CG 4.27Å; F44-P106 HydrophobicContact CZ-CG 4.1Å; R99-P106 HydrophobicContact CB-CG 4.28Å; Y100-P106 HydrophobicContact CD2-CG 3.96Å; Y100-P106 HydrophobicContact CE2-CG 3.63Å; S104-P106 WeakPolarHBondContact O-CD 3.42Å
107F95.2Very high94.4Very high47 Ų4748.9 Ų48.921%0.20626%0.261CS..THydrogen-bonded Turntrans-126.823.9-179.4-51.7-73.5000111.5V33 L105 N109 M110 S111 M114 K117V33-F107 HydrophobicContact CG1-CE1 3.74Å; V33-F107 HydrophobicContact CG1-CE2 4.22Å; V33-F107 HydrophobicContact CG1-CZ 3.37Å; L105-F107 PolarHBondContact O-N 2.88Å; F107-N109 PolarHBondContact O-N 2.82Å; F107-M110 HydrophobicContact CB-CB 4.05Å; F107-M110 WeakPolarHBondContact O-CB 3.34Å; F107-M110 PolarHBondContact O-N 3.29Å; F107-S111 PolarHBondContact N-OG 2.97Å; F107-M114 HydrophobicContact CB-CB 4.45Å; F107-M114 HydrophobicContact CB-SD 4.11Å; F107-M114 HydrophobicContact CD1-CE 3.79Å; F107-M114 HydrophobicContact CD1-SD 3.92Å; F107-M114 HydrophobicContact CD2-CB 3.43Å; F107-M114 VanDerWaalsContact CD2-CB 3.43Å; F107-M114 HydrophobicContact CD2-CE 4.35Å; F107-M114 HydrophobicContact CD2-CG 4.42Å; F107-M114 WeakPolarHBondContact CD2-O 3.49Å; F107-M114 HydrophobicContact CD2-SD 4.24Å; F107-M114 HydrophobicContact CE1-CE 3.63Å; F107-M114 HydrophobicContact CE1-SD 4.38Å; F107-M114 HydrophobicContact CE2-CB 3.73Å; F107-M114 HydrophobicContact CE2-CE 4.22Å; F107-M114 WeakPolarHBondContact CE2-O 3.3Å; F107-M114 HydrophobicContact CG-CB 3.98Å; F107-M114 HydrophobicContact CG-CE 4.14Å; F107-M114 HydrophobicContact CG-SD 3.83Å; F107-M114 HydrophobicContact CZ-CB 4.49Å; F107-M114 HydrophobicContact CZ-CE 3.85Å; F107-K117 HydrophobicContact CE2-CG 4.46Å; F107-K117 HydrophobicContact CZ-CG 4.34Å
108G93.1Very high94.3Very high34 Ų3449.2 Ų49.235%0.35126%0.262SS..G310 helixtrans53.7-131.1-175.300000112.1L105 M110 S111L105-G108 PolarHBondContact O-N 2.8Å; L105-G108 VanDerWaalsContact O-N 3.08Å; G108-M110 PolarHBondContact O-N 2.9Å; G108-M110 VanDerWaalsContact O-N 3.13Å; G108-S111 VanDerWaalsContact O-CB 3.3Å; G108-S111 WeakPolarHBondContact O-CB 3.28Å; G108-S111 PolarHBondContact O-N 2.76Å; G108-S111 PolarHBondContact O-OG 3.46Å
109N90.1Very high94.2Very high144 Ų14450.2 Ų50.277%0.7727%0.27SS*.G310 helixtrans-60.7-22.9177.9-70-18.1000113.6F107 S111 R112F107-N109 PolarHBondContact O-N 2.82Å; N109-S111 VanDerWaalsContact C-N 3.29Å; N109-R112 WeakPolarHBondContact O-CG 3.4Å
110M92.2Very high94.2Very high98 Ų9850.2 Ų50.248%0.48327%0.27SS..G310 helixtrans-79.3-10.8178.3-65.3-60-67.800113F107 G108 R112 Y113 M114F107-M110 HydrophobicContact CB-CB 4.05Å; F107-M110 WeakPolarHBondContact O-CB 3.34Å; F107-M110 PolarHBondContact O-N 3.29Å; G108-M110 PolarHBondContact O-N 2.9Å; G108-M110 VanDerWaalsContact O-N 3.13Å; M110-R112 PolarHBondContact O-N 2.85Å; M110-R112 VanDerWaalsContact O-N 3.07Å; M110-Y113 HydrophobicContact CE-CD2 3.86Å; M110-Y113 PolarHBondContact O-N 3.02Å; M110-Y113 HydrophobicContact SD-CD2 3.9Å; M110-Y113 HydrophobicContact SD-CE2 4.3Å; M110-M114 HydrophobicContact CB-SD 4.28Å; M110-M114 PolarHBondContact O-N 3.15Å
111S92.4Very high94.2Very high0 Ų051 Ų510%028%0.275CS..G310 helixtrans-56.3-27.1175.8-77.90000112.7F107 G108 N109 Y113 L115F107-S111 PolarHBondContact N-OG 2.97Å; G108-S111 VanDerWaalsContact O-CB 3.3Å; G108-S111 WeakPolarHBondContact O-CB 3.28Å; G108-S111 PolarHBondContact O-N 2.76Å; G108-S111 PolarHBondContact O-OG 3.46Å; N109-S111 VanDerWaalsContact C-N 3.29Å; S111-Y113 PolarHBondContact O-N 3.09Å; S111-L115 WeakPolarHBondContact O-CD2 3.41Å
112R87.2Confident94.2Very high135 Ų13551.5 Ų51.551%0.50928%0.277SS..G310 helixtrans-66.5-18174.476-172.6-179.3179.8-0.3115N109 M110 Y306N109-R112 WeakPolarHBondContact O-CG 3.4Å; M110-R112 PolarHBondContact O-N 2.85Å; M110-R112 VanDerWaalsContact O-N 3.07Å; R112-Y306 PolarHBondContact N-OH 3.45Å
113Y89.1Confident94.4Very high147 Ų14750.1 Ų50.158%0.57626%0.264SS*.THydrogen-bonded Turntrans-111.1-30.6179-55.3-64.1000112.1M110 S111 L115M110-Y113 HydrophobicContact CE-CD2 3.86Å; M110-Y113 PolarHBondContact O-N 3.02Å; M110-Y113 HydrophobicContact SD-CD2 3.9Å; M110-Y113 HydrophobicContact SD-CE2 4.3Å; S111-Y113 PolarHBondContact O-N 3.09Å; Y113-L115 PolarHBondContact O-N 2.87Å
114M91.7Very high94.6Very high87 Ų8745.5 Ų45.543%0.42924%0.244SC..  trans-99.474.2-178-65-176.371.300110.8Y100 F107 M110Y100-M114 VanDerWaalsContact CE1-O 3.29Å; Y100-M114 WeakPolarHBondContact CE1-O 3.12Å; Y100-M114 PolarHBondContact OH-O 2.84Å; F107-M114 HydrophobicContact CB-CB 4.45Å; F107-M114 HydrophobicContact CB-SD 4.11Å; F107-M114 HydrophobicContact CD1-CE 3.79Å; F107-M114 HydrophobicContact CD1-SD 3.92Å; F107-M114 HydrophobicContact CD2-CB 3.43Å; F107-M114 VanDerWaalsContact CD2-CB 3.43Å; F107-M114 HydrophobicContact CD2-CE 4.35Å; F107-M114 HydrophobicContact CD2-CG 4.42Å; F107-M114 WeakPolarHBondContact CD2-O 3.49Å; F107-M114 HydrophobicContact CD2-SD 4.24Å; F107-M114 HydrophobicContact CE1-CE 3.63Å; F107-M114 HydrophobicContact CE1-SD 4.38Å; F107-M114 HydrophobicContact CE2-CB 3.73Å; F107-M114 HydrophobicContact CE2-CE 4.22Å; F107-M114 WeakPolarHBondContact CE2-O 3.3Å; F107-M114 HydrophobicContact CG-CB 3.98Å; F107-M114 HydrophobicContact CG-CE 4.14Å; F107-M114 HydrophobicContact CG-SD 3.83Å; F107-M114 HydrophobicContact CZ-CB 4.49Å; F107-M114 HydrophobicContact CZ-CE 3.85Å; M110-M114 HydrophobicContact CB-SD 4.28Å; M110-M114 PolarHBondContact O-N 3.15Å
115L92.5Very high94.6Very high24 Ų2445.8 Ų45.813%0.12625%0.246CC..  trans-93.4-3.5-170.4-56.5169.1000114.8Y100 S111 Y113 K117 L118 Y306 L309 F345Y100-L115 HydrophobicContact CD1-CD2 4.28Å; Y100-L115 HydrophobicContact CE1-CD2 4.26Å; S111-L115 WeakPolarHBondContact O-CD2 3.41Å; Y113-L115 PolarHBondContact O-N 2.87Å; L115-K117 PolarHBondContact O-N 2.97Å; L115-L118 WeakPolarHBondContact O-CB 3.43Å; L115-L118 PolarHBondContact O-N 3.37Å; L115-Y306 HydrophobicContact CD2-CD1 3.55Å; L115-Y306 HydrophobicContact CD2-CE1 3.48Å; L115-Y306 VanDerWaalsContact CD2-CE1 3.48Å; L115-L309 HydrophobicContact CB-CD2 3.24Å; L115-L309 HydrophobicContact CD1-CD2 3.85Å; L115-L309 HydrophobicContact CD2-CD2 4.49Å; L115-L309 HydrophobicContact CG-CD2 4.04Å; L115-F345 HydrophobicContact CD1-CD1 4.15Å; L115-F345 HydrophobicContact CD1-CE1 4.05Å
116G92.3Very high94.7Very high75 Ų7543.6 Ų43.677%0.77323%0.234SC*.THydrogen-bonded Turntrans-63.9-7.8-171.800000115.7
117K95Very high94.8Very high50 Ų5043.2 Ų43.222%0.21723%0.232CC..THydrogen-bonded Turntrans-110.512.9176.7-46.8-63174.8-1710113.4V33 D34 R99 Y100 F107 L115V33-K117 HydrophobicContact CG1-CG 3.97Å; D34-K117 HydrophobicContact CB-CD 4.17Å; D34-K117 VanDerWaalsContact OD2-CE 3.29Å; D34-K117 WeakPolarHBondContact OD2-CE 3.21Å; D34-K117 IonicContact OD2-NZ 2.82Å; D34-K117 PolarHBondContact OD2-NZ 2.96Å; R99-K117 WeakPolarHBondContact CD-O 3.21Å; R99-K117 PolarHBondContact NH1-O 3.35Å; Y100-K117 VanDerWaalsContact CE2-C 3.44Å; Y100-K117 HydrophobicContact CE2-CB 4.33Å; Y100-K117 WeakPolarHBondContact CE2-O 3.47Å; Y100-K117 WeakPolarHBondContact OH-CA 3.46Å; Y100-K117 WeakPolarHBondContact OH-CB 3.45Å; Y100-K117 PolarHBondContact OH-N 2.82Å; F107-K117 HydrophobicContact CE2-CG 4.46Å; F107-K117 HydrophobicContact CZ-CG 4.34Å; L115-K117 PolarHBondContact O-N 2.97Å
118L96.9Very high95Very high7 Ų741.4 Ų41.44%0.03723%0.226CC..  trans-89.397.8172.3177.756.4000109.5Y100 Y101 L115 Y306 L309 Q310Y100-L118 HydrophobicContact CD1-CB 4.42Å; Y100-L118 HydrophobicContact CD2-CB 3.75Å; Y100-L118 HydrophobicContact CD2-CD1 3.79Å; Y100-L118 HydrophobicContact CD2-CG 4.28Å; Y100-L118 HydrophobicContact CE1-CB 4.39Å; Y100-L118 HydrophobicContact CE2-CB 3.75Å; Y100-L118 HydrophobicContact CG-CB 4.11Å; Y100-L118 HydrophobicContact CG-CD1 4.08Å; Y100-L118 HydrophobicContact CG-CD2 4.43Å; Y100-L118 HydrophobicContact CG-CG 4.43Å; Y101-L118 HydrophobicContact CE2-CD1 4.22Å; L115-L118 WeakPolarHBondContact O-CB 3.43Å; L115-L118 PolarHBondContact O-N 3.37Å; L118-Y306 HydrophobicContact CD2-CD1 4.4Å; L118-Y306 HydrophobicContact CD2-CG 4.18Å; L118-L309 HydrophobicContact CD2-CD2 4.33Å; L118-Q310 HydrophobicContact CD1-CG 4.11Å; L118-Q310 HydrophobicContact CD2-CG 3.95Å; L118-Q310 HydrophobicContact CG-CG 3.76Å
119S97.1Very high95.2Very high22 Ų2241.7 Ų41.715%0.15422%0.221CC..  trans-148.2157.2174.272.60000110.7S121 Q122 A123 E314S119-S121 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact O-N 3.24Å; S119-Q122 PolarHBondContact O-N 3.37Å; S119-Q122 WeakPolarHBondContact OG-CB 3.43Å; S119-Q122 WeakPolarHBondContact OG-CG 3.45Å; S119-Q122 PolarHBondContact OG-N 3.1Å; S119-A123 PolarHBondContact O-N 3.15Å; S119-A123 VanDerWaalsContact O-N 3.12Å; S119-E314 VanDerWaalsContact CA-OE2 3.27Å; S119-E314 WeakPolarHBondContact CA-OE2 3.46Å; S119-E314 VanDerWaalsContact CB-OE2 3.24Å; S119-E314 WeakPolarHBondContact CB-OE2 3.35Å
120S97.3Very high95.6Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-63.5-38174.654.20000111.1Q122 A123 L124 E314 M315 Y358S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 3.35Å; S120-A123 PolarHBondContact O-N 3.43Å; S120-L124 VanDerWaalsContact O-CG 3.23Å; S120-L124 WeakPolarHBondContact O-CG 3.48Å; S120-L124 PolarHBondContact O-N 3.13Å; S120-E314 PolarHBondContact N-OE2 2.6Å; S120-E314 PolarHBondContact OG-OE2 2.99Å; S120-E314 VanDerWaalsContact OG-OE2 3.12Å; S120-M315 WeakPolarHBondContact OG-CE 3.37Å; S120-Y358 WeakPolarHBondContact CB-OH 3.48Å; S120-Y358 PolarHBondContact OG-OH 2.98Å
121S97.4Very high95.9Very high18 Ų1830.2 Ų30.213%0.12616%0.161CC..Hα-helixtrans-60.7-41.5178.2-59.40000112.2F36 S119 A125 N357 Y358F36-S121 WeakPolarHBondContact CZ-O 3.42Å; S119-S121 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact O-N 3.24Å; S121-A125 PolarHBondContact O-N 2.76Å; S121-A125 VanDerWaalsContact O-N 3.1Å; S121-N357 PolarHBondContact OG-ND2 3.4Å; S121-Y358 PolarHBondContact N-OH 3.38Å; S121-Y358 PolarHBondContact OG-OH 3.16Å
122Q98.1Very high96.1Very high9 Ų932.7 Ų32.74%0.04218%0.179CC..Hα-helixtrans-67.1-40.7176.8-74.3-7912.300112D34 H35 F36 R99 S119 S120 A125 D126D34-Q122 PolarHBondContact OD1-NE2 3.41Å; H35-Q122 PolarHBondContact CD2-OE1 3.16Å; H35-Q122 VanDerWaalsContact CD2-OE1 3.24Å; F36-Q122 HydrophobicContact CD2-CG 4.04Å; F36-Q122 HydrophobicContact CE2-CB 4.43Å; F36-Q122 HydrophobicContact CE2-CG 3.92Å; R99-Q122 VanDerWaalsContact CZ-CB 3.47Å; S119-Q122 PolarHBondContact O-N 3.37Å; S119-Q122 WeakPolarHBondContact OG-CB 3.43Å; S119-Q122 WeakPolarHBondContact OG-CG 3.45Å; S119-Q122 PolarHBondContact OG-N 3.1Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 3.35Å; Q122-A125 PolarHBondContact O-N 3.19Å; Q122-D126 PolarHBondContact O-N 2.68Å
123A98.6Very high96.5Very high0 Ų029 Ų290%017%0.167CC..Hα-helixtrans-66.4-39.6176.100000112.9H98 R99 S119 S120 A125 D126 F127H98-A123 WeakPolarHBondContact NE2-CB 3.12Å; R99-A123 HydrophobicContact CG-CB 4.34Å; S119-A123 PolarHBondContact O-N 3.15Å; S119-A123 VanDerWaalsContact O-N 3.12Å; S120-A123 PolarHBondContact O-N 3.43Å; A123-A125 VanDerWaalsContact C-N 3.32Å; A123-A125 PolarHBondContact O-N 2.94Å; A123-D126 WeakPolarHBondContact O-CB 3.08Å; A123-D126 PolarHBondContact O-N 3.04Å; A123-F127 WeakPolarHBondContact O-CD2 3.36Å; A123-F127 VanDerWaalsContact O-CG 3.31Å; A123-F127 WeakPolarHBondContact O-CG 3.48Å; A123-F127 PolarHBondContact O-N 3.35Å
124L98.8Very high96.8Very high3 Ų322.1 Ų22.12%0.01614%0.14CC..Hα-helixtrans-63-39.8174.3-65.3173.5000111.4S120 F127 A128 L157 W160 M161 Y165 Y358S120-L124 VanDerWaalsContact O-CG 3.23Å; S120-L124 WeakPolarHBondContact O-CG 3.48Å; S120-L124 PolarHBondContact O-N 3.13Å; L124-F127 PolarHBondContact O-N 3.47Å; L124-A128 PolarHBondContact O-N 2.89Å; L124-L157 HydrophobicContact CD2-CB 4.35Å; L124-L157 HydrophobicContact CD2-CD2 3.83Å; L124-L157 WeakPolarHBondContact CD2-O 3.29Å; L124-L157 HydrophobicContact CG-CD2 4.18Å; L124-W160 HydrophobicContact CD1-CB 3.8Å; L124-W160 HydrophobicContact CD1-CE3 4.49Å; L124-W160 HydrophobicContact CD2-CB 4.06Å; L124-M161 HydrophobicContact CB-SD 3.94Å; L124-M161 HydrophobicContact CD2-CB 4.38Å; L124-M161 HydrophobicContact CD2-CG 3.51Å; L124-M161 HydrophobicContact CD2-SD 3.58Å; L124-M161 VanDerWaalsContact CD2-SD 3.58Å; L124-M161 HydrophobicContact CG-SD 4.36Å; L124-M161 VanDerWaalsContact O-SD 3.39Å; L124-Y165 HydrophobicContact CB-CE2 4.03Å; L124-Y358 HydrophobicContact CD1-CE1 3.59Å
125A98.6Very high96.8Very high6 Ų620 Ų205%0.0513%0.129CC..Hα-helixtrans-66.3-37.8175.200000112.3H35 F36 S121 Q122 A123 F127 A128 V129H35-A125 HydrophobicContact CB-CB 3.77Å; H35-A125 VanDerWaalsContact CD2-CB 3.42Å; H35-A125 WeakPolarHBondContact CD2-CB 3.47Å; H35-A125 VanDerWaalsContact CG-CB 3.45Å; F36-A125 HydrophobicContact CZ-CB 4.12Å; S121-A125 PolarHBondContact O-N 2.76Å; S121-A125 VanDerWaalsContact O-N 3.1Å; Q122-A125 PolarHBondContact O-N 3.19Å; A123-A125 VanDerWaalsContact C-N 3.32Å; A123-A125 PolarHBondContact O-N 2.94Å; A125-F127 PolarHBondContact O-N 3.06Å; A125-A128 PolarHBondContact O-N 2.93Å; A125-V129 WeakPolarHBondContact O-CG2 3.29Å; A125-V129 PolarHBondContact O-N 2.92Å
126D98.8Very high96.7Very high1 Ų122.5 Ų22.51%0.00515%0.148CC..Hα-helixtrans-56.7-49.5171.2-70.8-23.5000111.8M31 H35 L46 R99 Q122 A123 A128 V129 L130M31-D126 HydrophobicContact CE-CB 4Å; M31-D126 WeakPolarHBondContact CE-O 3.4Å; M31-D126 HydrophobicContact CG-CB 4.48Å; M31-D126 WeakPolarHBondContact CG-OD1 3.48Å; M31-D126 HydrophobicContact SD-CB 4.09Å; H35-D126 IonicContact CD2-OD1 3.12Å; H35-D126 IonicContact CE1-OD1 3.91Å; H35-D126 PolarHBondContact NE2-N 3.21Å; H35-D126 IonicContact NE2-OD1 2.78Å; H35-D126 PolarHBondContact NE2-OD1 3.42Å; L46-D126 HydrophobicContact CD2-CB 4.08Å; R99-D126 WeakPolarHBondContact CB-OD2 3.38Å; R99-D126 IonicContact CZ-OD1 3.76Å; R99-D126 IonicContact CZ-OD2 3.67Å; R99-D126 IonicContact NE-OD1 3.53Å; R99-D126 IonicContact NE-OD2 3.99Å; R99-D126 PolarHBondContact NE-OD2 2.98Å; R99-D126 VanDerWaalsContact NH2-CG 3.28Å; R99-D126 IonicContact NH2-OD1 3.64Å; R99-D126 PolarHBondContact NH2-OD1 3.25Å; R99-D126 IonicContact NH2-OD2 3.83Å; R99-D126 PolarHBondContact NH2-OD2 3.25Å; Q122-D126 PolarHBondContact O-N 2.68Å; A123-D126 WeakPolarHBondContact O-CB 3.08Å; A123-D126 PolarHBondContact O-N 3.04Å; D126-A128 VanDerWaalsContact C-N 3.31Å; D126-A128 PolarHBondContact O-N 3.27Å; D126-V129 PolarHBondContact O-N 3.07Å; D126-L130 WeakPolarHBondContact O-CB 3.44Å; D126-L130 PolarHBondContact O-N 3.4Å
127F98.9Very high96.7Very high1 Ų122.9 Ų22.90%0.00414%0.135CC..Hα-helixtrans-61.9-40.6178.7-60.3-28.7000111.5F64 C66 G67 A96 A123 L124 A125 V129 L130 I131 L157 M161F64-F127 HydrophobicContact CE1-CB 3.81Å; F64-F127 AromaticContact CE1-CD1 3.98Å; F64-F127 HydrophobicContact CE1-CD1 3.98Å; F64-F127 HydrophobicContact CE1-CD2 4.42Å; F64-F127 AromaticContact CE1-CG 3.82Å; F64-F127 HydrophobicContact CE1-CG 3.82Å; F64-F127 HydrophobicContact CZ-CB 3.88Å; F64-F127 AromaticContact CZ-CD1 3.88Å; F64-F127 HydrophobicContact CZ-CD1 3.88Å; F64-F127 HydrophobicContact CZ-CG 4.04Å; C66-F127 HydrophobicContact CB-CD2 4.25Å; C66-F127 HydrophobicContact CB-CE2 3.79Å; C66-F127 HydrophobicContact CB-CZ 4.36Å; G67-F127 WeakPolarHBondContact O-CZ 3.41Å; A96-F127 HydrophobicContact CB-CD1 3.71Å; A96-F127 HydrophobicContact CB-CE1 3.69Å; A123-F127 WeakPolarHBondContact O-CD2 3.36Å; A123-F127 VanDerWaalsContact O-CG 3.31Å; A123-F127 WeakPolarHBondContact O-CG 3.48Å; A123-F127 PolarHBondContact O-N 3.35Å; L124-F127 PolarHBondContact O-N 3.47Å; A125-F127 PolarHBondContact O-N 3.06Å; F127-V129 PolarHBondContact O-N 3.29Å; F127-L130 PolarHBondContact O-N 3.32Å; F127-I131 WeakPolarHBondContact O-CB 3.25Å; F127-I131 WeakPolarHBondContact O-CD1 3.5Å; F127-I131 WeakPolarHBondContact O-CG1 3.5Å; F127-I131 PolarHBondContact O-N 2.72Å; F127-L157 HydrophobicContact CE2-CB 4.39Å; F127-L157 HydrophobicContact CE2-CD1 4.17Å; F127-M161 HydrophobicContact CB-CE 3.8Å; F127-M161 HydrophobicContact CB-SD 3.85Å; F127-M161 HydrophobicContact CD2-CG 4.19Å; F127-M161 HydrophobicContact CD2-SD 4.2Å
128A98.7Very high96.4Very high9 Ų922.7 Ų22.77%0.07414%0.135CC..Hα-helixtrans-61.3-43.7176.500000112.5L124 A125 D126 S132 M161 Y165 L168L124-A128 PolarHBondContact O-N 2.89Å; A125-A128 PolarHBondContact O-N 2.93Å; D126-A128 VanDerWaalsContact C-N 3.31Å; D126-A128 PolarHBondContact O-N 3.27Å; A128-S132 WeakPolarHBondContact O-CB 3.19Å; A128-S132 PolarHBondContact O-N 2.88Å; A128-S132 VanDerWaalsContact O-N 3.08Å; A128-S132 PolarHBondContact O-OG 3Å; A128-M161 HydrophobicContact CB-CE 4.45Å; A128-Y165 HydrophobicContact CB-CD1 3.76Å; A128-Y165 HydrophobicContact CB-CE1 3.64Å; A128-Y165 HydrophobicContact CB-CE2 4.46Å; A128-Y165 HydrophobicContact CB-CG 4.23Å; A128-L168 HydrophobicContact CB-CD1 3.68Å
129V98.3Very high94.8Very high40 Ų4025.5 Ų25.524%0.24216%0.159CC..Hα-helixtrans-65.8-46.5176.2170.60000111.1Y28 M31 A125 D126 F127 I131 S132 H133Y28-V129 HydrophobicContact CD1-CG1 4.47Å; Y28-V129 HydrophobicContact CE1-CG1 3.56Å; M31-V129 HydrophobicContact CE-CB 4.12Å; M31-V129 HydrophobicContact CE-CG1 4.08Å; M31-V129 HydrophobicContact SD-CB 3.97Å; M31-V129 HydrophobicContact SD-CG1 3.92Å; A125-V129 WeakPolarHBondContact O-CG2 3.29Å; A125-V129 PolarHBondContact O-N 2.92Å; D126-V129 PolarHBondContact O-N 3.07Å; F127-V129 PolarHBondContact O-N 3.29Å; V129-I131 PolarHBondContact O-N 2.97Å; V129-S132 WeakPolarHBondContact O-CB 3.42Å; V129-S132 PolarHBondContact O-N 2.67Å; V129-H133 PolarHBondContact O-N 3.46Å
130L98.5Very high93.2Very high0 Ų028.7 Ų28.70%018%0.181CC..Hα-helixtrans-61.6-45.8179.117861.7000111.7Y28 M31 L46 Y48 F64 A96 D126 F127 S132 H133 L134Y28-L130 HydrophobicContact CG-CD1 4.47Å; M31-L130 HydrophobicContact CE-CB 4.24Å; L46-L130 HydrophobicContact CD2-CD2 4.18Å; Y48-L130 HydrophobicContact CD1-CD1 3.76Å; Y48-L130 HydrophobicContact CD1-CD2 4.24Å; Y48-L130 HydrophobicContact CE1-CD1 3.87Å; Y48-L130 HydrophobicContact CG-CD1 4.3Å; Y48-L130 HydrophobicContact CG-CD2 4.17Å; F64-L130 HydrophobicContact CE2-CD2 4.04Å; F64-L130 HydrophobicContact CE2-CG 4.4Å; F64-L130 HydrophobicContact CZ-CD2 4.23Å; A96-L130 HydrophobicContact CB-CD2 3.6Å; D126-L130 WeakPolarHBondContact O-CB 3.44Å; D126-L130 PolarHBondContact O-N 3.4Å; F127-L130 PolarHBondContact O-N 3.32Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 2.84Å; L130-H133 PolarHBondContact O-N 3.07Å; L130-L134 HydrophobicContact CD1-CD1 4.11Å; L130-L134 HydrophobicContact CD1-CG 4.15Å; L130-L134 HydrophobicContact CG-CD1 3.99Å; L130-L134 HydrophobicContact CG-CG 4.45Å; L130-L134 VanDerWaalsContact O-CG 3.32Å; L130-L134 WeakPolarHBondContact O-CG 3.25Å; L130-L134 PolarHBondContact O-N 3.35Å
131I97.6Very high91.4Very high0 Ų029.2 Ų29.20%019%0.185CC..Hα-helixtrans-59.1-42.7176.3-71.9165.4000110.4M62 F64 F127 V129 L134 K135 V146 M161 L168 I169M62-I131 HydrophobicContact SD-CG1 4.41Å; F64-I131 HydrophobicContact CD1-CD1 4.07Å; F64-I131 HydrophobicContact CD1-CG1 4.5Å; F64-I131 HydrophobicContact CD2-CD1 4.1Å; F64-I131 HydrophobicContact CD2-CG1 3.65Å; F64-I131 HydrophobicContact CE1-CD1 4.08Å; F64-I131 HydrophobicContact CE1-CG1 4.4Å; F64-I131 HydrophobicContact CE2-CD1 4.1Å; F64-I131 HydrophobicContact CE2-CG1 3.52Å; F64-I131 HydrophobicContact CG-CD1 4.07Å; F64-I131 HydrophobicContact CG-CG1 4.14Å; F64-I131 HydrophobicContact CZ-CD1 4.08Å; F64-I131 HydrophobicContact CZ-CG1 3.91Å; F127-I131 WeakPolarHBondContact O-CB 3.25Å; F127-I131 WeakPolarHBondContact O-CD1 3.5Å; F127-I131 WeakPolarHBondContact O-CG1 3.5Å; F127-I131 PolarHBondContact O-N 2.72Å; V129-I131 PolarHBondContact O-N 2.97Å; I131-L134 PolarHBondContact O-N 3.24Å; I131-K135 HydrophobicContact CG2-CD 4.09Å; I131-K135 HydrophobicContact CG2-CG 4.41Å; I131-K135 WeakPolarHBondContact O-CB 3.45Å; I131-K135 VanDerWaalsContact O-CG 3.29Å; I131-K135 WeakPolarHBondContact O-CG 3.24Å; I131-K135 PolarHBondContact O-N 3.1Å; I131-V146 HydrophobicContact CD1-CG1 4.3Å; I131-V146 HydrophobicContact CG2-CG2 3.94Å; I131-M161 HydrophobicContact CD1-CE 3.9Å; I131-L168 HydrophobicContact CG2-CB 4.43Å; I131-I169 HydrophobicContact CD1-CD1 3.61Å
132S95.8Very high89.7Confident53 Ų5334.2 Ų34.237%0.37122%0.215SC..Hα-helixtrans-64.4-42.3178.9-58.90000111.8A128 V129 L130 K135 S136A128-S132 WeakPolarHBondContact O-CB 3.19Å; A128-S132 PolarHBondContact O-N 2.88Å; A128-S132 VanDerWaalsContact O-N 3.08Å; A128-S132 PolarHBondContact O-OG 3Å; V129-S132 WeakPolarHBondContact O-CB 3.42Å; V129-S132 PolarHBondContact O-N 2.67Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 2.84Å; S132-K135 PolarHBondContact O-N 2.74Å; S132-S136 PolarHBondContact O-N 3.28Å; S132-S136 PolarHBondContact O-OG 3.12Å
133H95.6Very high88.7Confident58 Ų5835 Ų3527%0.26922%0.218SC..Hα-helixtrans-62.8-42.6174.3170.167.3000112.6Y28 V129 L130 S136 T137Y28-H133 HydrophobicContact CD2-CB 4.06Å; Y28-H133 AromaticContact CD2-CD2 3.47Å; Y28-H133 VanDerWaalsContact CD2-CD2 3.47Å; Y28-H133 WeakPolarHBondContact CD2-CD2 3.15Å; Y28-H133 AromaticContact CD2-CG 3.54Å; Y28-H133 AromaticContact CD2-ND1 3.97Å; Y28-H133 AromaticContact CD2-NE2 3.84Å; Y28-H133 HydrophobicContact CE2-CB 3.78Å; Y28-H133 AromaticContact CE2-CD2 3.94Å; Y28-H133 AromaticContact CE2-CG 3.5Å; Y28-H133 AromaticContact CE2-ND1 3.7Å; V129-H133 PolarHBondContact O-N 3.46Å; L130-H133 PolarHBondContact O-N 3.07Å; H133-S136 PolarHBondContact O-N 2.88Å; H133-S136 PolarHBondContact O-OG 3.25Å; H133-T137 PolarHBondContact CE1-OG1 2.82Å; H133-T137 WeakPolarHBondContact O-CB 3.42Å; H133-T137 PolarHBondContact O-N 3.44Å; H133-T137 PolarHBondContact O-OG1 3.34Å
134L95.3Very high88.4Confident1 Ų135.4 Ų35.41%0.00522%0.219CC..Hα-helixtrans-67.3-42.2177.6-69.2171.1000110.9Y48 I50 M62 V94 L130 I131 S136 T137 F138Y48-L134 HydrophobicContact CE2-CD2 3.96Å; I50-L134 HydrophobicContact CD1-CD2 4.28Å; M62-L134 HydrophobicContact CE-CB 3.62Å; M62-L134 HydrophobicContact CE-CD1 4.04Å; M62-L134 HydrophobicContact CE-CG 4.5Å; M62-L134 HydrophobicContact SD-CD1 4.38Å; V94-L134 HydrophobicContact CG1-CD1 3.86Å; V94-L134 HydrophobicContact CG2-CD1 4.02Å; L130-L134 HydrophobicContact CD1-CD1 4.11Å; L130-L134 HydrophobicContact CD1-CG 4.15Å; L130-L134 HydrophobicContact CG-CD1 3.99Å; L130-L134 HydrophobicContact CG-CG 4.45Å; L130-L134 VanDerWaalsContact O-CG 3.32Å; L130-L134 WeakPolarHBondContact O-CG 3.25Å; L130-L134 PolarHBondContact O-N 3.35Å; I131-L134 PolarHBondContact O-N 3.24Å; L134-S136 VanDerWaalsContact C-N 3.28Å; L134-S136 PolarHBondContact O-N 2.63Å; L134-T137 PolarHBondContact O-N 3.01Å; L134-F138 HydrophobicContact CD2-CE2 4.13Å; L134-F138 WeakPolarHBondContact O-CD2 3.37Å; L134-F138 PolarHBondContact O-N 3.45Å
135K93Very high88.2Confident44 Ų4435.2 Ų35.219%0.19122%0.219CC..Hα-helixtrans-58-39.4174.2-75.3-179.3179.1179.20112.2I131 S132 F138 A139 L144 L168I131-K135 HydrophobicContact CG2-CD 4.09Å; I131-K135 HydrophobicContact CG2-CG 4.41Å; I131-K135 WeakPolarHBondContact O-CB 3.45Å; I131-K135 VanDerWaalsContact O-CG 3.29Å; I131-K135 WeakPolarHBondContact O-CG 3.24Å; I131-K135 PolarHBondContact O-N 3.1Å; S132-K135 PolarHBondContact O-N 2.74Å; K135-F138 CarbonylContact O-C 3.07Å; K135-A139 PolarHBondContact O-N 3.1Å; K135-L144 VanDerWaalsContact CE-O 3.28Å; K135-L144 WeakPolarHBondContact CE-O 3.36Å; K135-L144 HydrophobicContact CG-CB 4.3Å; K135-L144 HydrophobicContact CG-CD2 4.27Å; K135-L168 PolarHBondContact NZ-O 3.47Å
136S91.1Very high88.2Confident75 Ų7535 Ų3552%0.52422%0.216SC..Hα-helixtrans-76.3-34.7177.467.50000113.3S132 H133 L134 F138 A139S132-S136 PolarHBondContact O-N 3.28Å; S132-S136 PolarHBondContact O-OG 3.12Å; H133-S136 PolarHBondContact O-N 2.88Å; H133-S136 PolarHBondContact O-OG 3.25Å; L134-S136 VanDerWaalsContact C-N 3.28Å; L134-S136 PolarHBondContact O-N 2.63Å; S136-F138 VanDerWaalsContact C-N 3.31Å; S136-F138 PolarHBondContact O-N 2.94Å; S136-A139 WeakPolarHBondContact O-CB 3.42Å; S136-A139 PolarHBondContact O-N 3.3Å
137T91.4Very high88.1Confident83 Ų8334.9 Ų34.951%0.50922%0.216SC..Hα-helixtrans-66.1-38.3176.6-59.30000111.1H133 L134 A139H133-T137 PolarHBondContact CE1-OG1 2.82Å; H133-T137 WeakPolarHBondContact O-CB 3.42Å; H133-T137 PolarHBondContact O-N 3.44Å; H133-T137 PolarHBondContact O-OG1 3.34Å; L134-T137 PolarHBondContact O-N 3.01Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 2.95Å
138F88.5Confident88.1Confident47 Ų4734.9 Ų34.921%0.20622%0.216CC..THydrogen-bonded Turntrans-95.128.4176.9-65.5-70.8000112.4I50 T52 W55 M92 L134 K135 S136 S140 A141I50-F138 HydrophobicContact CD1-CE2 3.86Å; I50-F138 HydrophobicContact CD1-CZ 3.97Å; T52-F138 HydrophobicContact CG2-CE1 4.23Å; T52-F138 HydrophobicContact CG2-CZ 3.96Å; W55-F138 HydrophobicContact CE3-CD1 4.41Å; W55-F138 HydrophobicContact CH2-CB 3.73Å; W55-F138 AromaticContact CH2-CD1 3.96Å; W55-F138 HydrophobicContact CH2-CD1 3.96Å; W55-F138 HydrophobicContact CH2-CG 4.03Å; W55-F138 HydrophobicContact CZ3-CB 4.19Å; W55-F138 AromaticContact CZ3-CD1 3.49Å; W55-F138 HydrophobicContact CZ3-CD1 3.49Å; W55-F138 VanDerWaalsContact CZ3-CD1 3.49Å; W55-F138 HydrophobicContact CZ3-CE1 4.12Å; W55-F138 HydrophobicContact CZ3-CG 4Å; M92-F138 HydrophobicContact CE-CB 4.37Å; M92-F138 HydrophobicContact CE-CD1 4.42Å; M92-F138 HydrophobicContact CE-CD2 3.84Å; M92-F138 HydrophobicContact CE-CE2 4.25Å; M92-F138 HydrophobicContact CE-CG 3.95Å; M92-F138 HydrophobicContact SD-CD2 4.47Å; L134-F138 HydrophobicContact CD2-CE2 4.13Å; L134-F138 WeakPolarHBondContact O-CD2 3.37Å; L134-F138 PolarHBondContact O-N 3.45Å; K135-F138 CarbonylContact O-C 3.07Å; S136-F138 VanDerWaalsContact C-N 3.31Å; S136-F138 PolarHBondContact O-N 2.94Å; F138-S140 PolarHBondContact O-N 2.94Å; F138-A141 WeakPolarHBondContact O-CB 3.33Å; F138-A141 PolarHBondContact O-N 3.06Å
139A64Low88.2Confident66 Ų6634.4 Ų34.455%0.54521%0.212SC..THydrogen-bonded Turntrans-56.6-14.6-170.600000116.3K135 S136 T137 A141K135-A139 PolarHBondContact O-N 3.1Å; S136-A139 WeakPolarHBondContact O-CB 3.42Å; S136-A139 PolarHBondContact O-N 3.3Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 2.95Å; A139-A141 PolarHBondContact O-N 2.86Å
140S63.2Low88.2Confident89 Ų8932.5 Ų32.562%0.62220%0.201SC*.THydrogen-bonded Turntrans-59.5-25167.857.60000112.2F138 V142F138-S140 PolarHBondContact O-N 2.94Å; S140-V142 PolarHBondContact O-N 3.28Å; S140-V142 VanDerWaalsContact O-N 3.16Å
141A59.1Low88.2Confident10 Ų1032.6 Ų32.68%0.08320%0.201CC..SBendtrans-74.497.4166.900000109W55 S57 F138 A139 Y143 L144W55-A141 HydrophobicContact CH2-CB 4.21Å; W55-A141 HydrophobicContact CZ2-CB 4.03Å; S57-A141 WeakPolarHBondContact O-CB 3.28Å; F138-A141 WeakPolarHBondContact O-CB 3.33Å; F138-A141 PolarHBondContact O-N 3.06Å; A139-A141 PolarHBondContact O-N 2.86Å; A141-Y143 PolarHBondContact O-N 2.85Å; A141-L144 HydrophobicContact CB-CB 4.37Å
142V61.6Low88.2Confident123 Ų12333.3 Ų33.375%0.74521%0.206SC*.SBendtrans-50-28.2172-176.50000111.2S140 R438S140-V142 PolarHBondContact O-N 3.28Å; S140-V142 VanDerWaalsContact O-N 3.16Å; V142-R438 PolarHBondContact O-NH1 3.42Å; V142-R438 VanDerWaalsContact O-NH1 3.07Å
143Y78.2Confident88.3Confident27 Ų2731.6 Ų31.611%0.10619%0.192CC..  trans-143.4119.8173-170.3-15.4000110.7A141 P145 D170 T434 W435 R438A141-Y143 PolarHBondContact O-N 2.85Å; Y143-P145 HydrophobicContact CD1-CB 4.24Å; Y143-P145 HydrophobicContact CD1-CG 3.5Å; Y143-P145 VanDerWaalsContact CD1-CG 3.5Å; Y143-P145 VanDerWaalsContact CD1-N 3.27Å; Y143-P145 HydrophobicContact CE1-CB 3.89Å; Y143-P145 HydrophobicContact CE1-CG 3.53Å; Y143-P145 HydrophobicContact CG-CG 4.23Å; Y143-P145 WeakPolarHBondContact O-CD 3.4Å; Y143-D170 PolarHBondContact OH-OD1 2.94Å; Y143-T434 HydrophobicContact CD1-CG2 4.47Å; Y143-T434 HydrophobicContact CD2-CG2 4.42Å; Y143-T434 HydrophobicContact CE1-CG2 3.52Å; Y143-T434 HydrophobicContact CE2-CG2 3.45Å; Y143-T434 VanDerWaalsContact CE2-CG2 3.45Å; Y143-T434 WeakPolarHBondContact CE2-O 3.29Å; Y143-T434 WeakPolarHBondContact OH-CG2 3.3Å; Y143-W435 HydrophobicContact CD1-CH2 4.46Å; Y143-W435 HydrophobicContact CD1-CZ3 4.46Å; Y143-W435 HydrophobicContact CD2-CD2 4.47Å; Y143-W435 AromaticContact CD2-CE3 3.6Å; Y143-W435 HydrophobicContact CD2-CE3 3.6Å; Y143-W435 HydrophobicContact CD2-CH2 4.21Å; Y143-W435 AromaticContact CD2-CZ3 3.47Å; Y143-W435 HydrophobicContact CD2-CZ3 3.47Å; Y143-W435 VanDerWaalsContact CD2-CZ3 3.47Å; Y143-W435 HydrophobicContact CE2-CE3 4.28Å; Y143-W435 HydrophobicContact CE2-CZ3 4.49Å; Y143-W435 HydrophobicContact CG-CE3 4.15Å; Y143-W435 AromaticContact CG-CH2 3.91Å; Y143-W435 HydrophobicContact CG-CH2 3.91Å; Y143-W435 AromaticContact CG-CZ3 3.55Å; Y143-W435 HydrophobicContact CG-CZ3 3.55Å; Y143-R438 HydrophobicContact CD2-CB 3.75Å; Y143-R438 HydrophobicContact CD2-CG 3.52Å; Y143-R438 HydrophobicContact CE2-CB 3.68Å; Y143-R438 HydrophobicContact CE2-CG 3.17Å; Y143-R438 VanDerWaalsContact CG-NE 3.34Å; Y143-R438 PolarHBondContact OH-NE 3.48Å; Y143-R438 PolarHBondContact OH-NH2 2.88Å
144L91.3Very high88.5Confident7 Ų728.9 Ų28.94%0.03718%0.179CC..  trans-110.896.9162.2-175.855.5000110.6W55 G60 M62 M92 K135 A141W55-L144 HydrophobicContact CZ2-CD1 3.97Å; G60-L144 VanDerWaalsContact O-CD1 3.31Å; G60-L144 WeakPolarHBondContact O-CD1 3.34Å; M62-L144 HydrophobicContact CB-CD1 4.03Å; M62-L144 HydrophobicContact CB-CD2 4.34Å; M62-L144 HydrophobicContact CB-CG 4.05Å; M62-L144 HydrophobicContact CE-CD2 3.56Å; M62-L144 HydrophobicContact CE-CG 4.3Å; M92-L144 HydrophobicContact CE-CD1 4.06Å; M92-L144 HydrophobicContact CE-CD2 3.67Å; M92-L144 HydrophobicContact SD-CD1 4.41Å; M92-L144 HydrophobicContact SD-CD2 3.88Å; K135-L144 VanDerWaalsContact CE-O 3.28Å; K135-L144 WeakPolarHBondContact CE-O 3.36Å; K135-L144 HydrophobicContact CG-CB 4.3Å; K135-L144 HydrophobicContact CG-CD2 4.27Å; A141-L144 HydrophobicContact CB-CB 4.37Å
145P94.8Very high88.6Confident0 Ų028.8 Ų28.80%018%0.179CC..  trans-61.4150.5171.7-19.329.7000110.7P61 M62 Y143 D170 L431 T434 W435P61-P145 CarbonylContact C-O 3.44Å; P61-P145 WeakPolarHBondContact CA-O 3.28Å; P61-P145 HydrophobicContact CB-CB 4.12Å; M62-P145 PolarHBondContact N-O 2.9Å; Y143-P145 HydrophobicContact CD1-CB 4.24Å; Y143-P145 HydrophobicContact CD1-CG 3.5Å; Y143-P145 VanDerWaalsContact CD1-CG 3.5Å; Y143-P145 VanDerWaalsContact CD1-N 3.27Å; Y143-P145 HydrophobicContact CE1-CB 3.89Å; Y143-P145 HydrophobicContact CE1-CG 3.53Å; Y143-P145 HydrophobicContact CG-CG 4.23Å; Y143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-D170 WeakPolarHBondContact CA-OD2 3.35Å; P145-D170 WeakPolarHBondContact CB-OD2 3.26Å; P145-L431 HydrophobicContact CB-CD2 3.58Å; P145-L431 HydrophobicContact CG-CD2 4.08Å; P145-T434 HydrophobicContact CB-CG2 3.73Å; P145-T434 HydrophobicContact CG-CG2 3.63Å; P145-W435 HydrophobicContact CG-CH2 3.85Å; P145-W435 HydrophobicContact CG-CZ2 3.38Å
146V97.5Very high88.9Confident0 Ų026.8 Ų26.80%017%0.17CC..EExtended strand (participates in β ladder)trans-127124.8179.4-170.50000110.4M62 F64 I131 L168 I169 D170M62-V146 HydrophobicContact CB-CG1 4.39Å; M62-V146 HydrophobicContact CB-CG2 4.22Å; M62-V146 HydrophobicContact CG-CG1 4.4Å; M62-V146 WeakPolarHBondContact O-CA 3.48Å; M62-V146 HydrophobicContact SD-CG1 4.1Å; M62-V146 HydrophobicContact SD-CG2 4.23Å; F64-V146 HydrophobicContact CB-CG1 3.75Å; I131-V146 HydrophobicContact CD1-CG1 4.3Å; I131-V146 HydrophobicContact CG2-CG2 3.94Å; V146-L168 WeakPolarHBondContact CB-O 3.49Å; V146-L168 WeakPolarHBondContact CG2-O 3.27Å; V146-I169 HydrophobicContact CB-CD1 4.19Å; V146-I169 HydrophobicContact CG1-CD1 3.75Å; V146-I169 CarbonylContact O-C 3.41Å; V146-D170 PolarHBondContact N-OD2 3.43Å; V146-D170 PolarHBondContact O-N 3.27Å
147I98.7Very high89.3Confident0 Ų023.2 Ų23.20%015%0.145CC..EExtended strand (participates in β ladder)trans-106.4121.1170-52.6-56.7000107.9M62 F63 F64 F149 D170 G171 I427 W430 L431M62-I147 PolarHBondContact O-N 2.82Å; F63-I147 HydrophobicContact CD1-CB 4.08Å; F63-I147 HydrophobicContact CD1-CG1 4.28Å; F63-I147 HydrophobicContact CE1-CB 4.25Å; F63-I147 HydrophobicContact CE1-CG1 4.07Å; F64-I147 PolarHBondContact N-O 3.25Å; I147-F149 HydrophobicContact CB-CE2 3.73Å; I147-F149 HydrophobicContact CB-CZ 4.17Å; I147-F149 HydrophobicContact CG2-CD2 4.22Å; I147-F149 HydrophobicContact CG2-CE1 4.34Å; I147-F149 HydrophobicContact CG2-CE2 3.49Å; I147-F149 VanDerWaalsContact CG2-CE2 3.49Å; I147-F149 HydrophobicContact CG2-CZ 3.57Å; I147-F149 VanDerWaalsContact O-CD2 3.29Å; I147-F149 WeakPolarHBondContact O-CD2 3.46Å; I147-F149 WeakPolarHBondContact O-CE2 3.48Å; I147-D170 HydrophobicContact CD1-CB 4.16Å; I147-G171 CarbonylContact C-O 3.42Å; I147-G171 WeakPolarHBondContact CA-O 3.38Å; I147-I427 HydrophobicContact CG1-CG2 4.19Å; I147-I427 HydrophobicContact CG2-CG1 4.27Å; I147-W430 HydrophobicContact CD1-CE3 4.1Å; I147-W430 HydrophobicContact CG2-CZ3 4.34Å; I147-L431 HydrophobicContact CD1-CD2 4.16Å; I147-L431 HydrophobicContact CG1-CD2 4.33Å
148A98.9Very high89.6Confident0 Ų019.2 Ų19.20%012%0.121CC..EExtended strand (participates in β ladder)trans-83.4139176.700000110.5F64 A158 I169 G171 A172 L173F64-A148 CarbonylContact O-C 3.59Å; F64-A148 WeakPolarHBondContact O-CA 3.39Å; A148-A158 HydrophobicContact CB-CB 4.06Å; A148-I169 HydrophobicContact CB-CD1 4.32Å; A148-I169 HydrophobicContact CB-CG2 3.78Å; A148-G171 PolarHBondContact N-O 3.45Å; A148-A172 HydrophobicContact CB-CB 4.08Å; A148-A172 CarbonylContact O-C 3.54Å; A148-A172 VanDerWaalsContact O-CA 3.25Å; A148-A172 WeakPolarHBondContact O-CA 3.28Å; A148-L173 PolarHBondContact O-N 3.05Å
149F98.9Very high90.1Very high0 Ų017 Ų170%011%0.111CC..EExtended strand (participates in β ladder)trans-128.8150.8176.6-64.3-95.2000109.8F63 F64 Y65 C66 F81 I82 I147 L173 I427F63-F149 HydrophobicContact CB-CD2 4.16Å; F63-F149 HydrophobicContact CB-CE2 3.61Å; F63-F149 HydrophobicContact CB-CZ 4.46Å; F63-F149 AromaticContact CD1-CE2 3.73Å; F63-F149 HydrophobicContact CD1-CE2 3.73Å; F63-F149 HydrophobicContact CD1-CZ 4.11Å; F63-F149 AromaticContact CD2-CE2 3.97Å; F63-F149 HydrophobicContact CD2-CE2 3.97Å; F63-F149 AromaticContact CD2-CZ 3.99Å; F63-F149 HydrophobicContact CD2-CZ 3.99Å; F63-F149 HydrophobicContact CE1-CE2 4.33Å; F63-F149 HydrophobicContact CE1-CZ 4.29Å; F63-F149 HydrophobicContact CE2-CZ 4.17Å; F63-F149 AromaticContact CG-CE2 3.51Å; F63-F149 HydrophobicContact CG-CE2 3.51Å; F63-F149 AromaticContact CG-CZ 3.95Å; F63-F149 HydrophobicContact CG-CZ 3.95Å; F63-F149 HydrophobicContact CZ-CZ 4.31Å; F64-F149 PolarHBondContact O-N 3.11Å; Y65-F149 WeakPolarHBondContact CA-O 3.19Å; Y65-F149 HydrophobicContact CD2-CB 4.15Å; C66-F149 PolarHBondContact N-O 3.08Å; F81-F149 HydrophobicContact CE1-CE1 4.12Å; I82-F149 HydrophobicContact CD1-CB 3.53Å; I82-F149 HydrophobicContact CD1-CD1 4.15Å; I82-F149 HydrophobicContact CD1-CD2 4.46Å; I82-F149 HydrophobicContact CD1-CG 3.82Å; I82-F149 HydrophobicContact CG1-CB 4.23Å; I82-F149 HydrophobicContact CG1-CD1 3.9Å; I82-F149 HydrophobicContact CG1-CE1 4.41Å; I82-F149 HydrophobicContact CG1-CG 3.99Å; I147-F149 HydrophobicContact CB-CE2 3.73Å; I147-F149 HydrophobicContact CB-CZ 4.17Å; I147-F149 HydrophobicContact CG2-CD2 4.22Å; I147-F149 HydrophobicContact CG2-CE1 4.34Å; I147-F149 HydrophobicContact CG2-CE2 3.49Å; I147-F149 VanDerWaalsContact CG2-CE2 3.49Å; I147-F149 HydrophobicContact CG2-CZ 3.57Å; I147-F149 VanDerWaalsContact O-CD2 3.29Å; I147-F149 WeakPolarHBondContact O-CD2 3.46Å; I147-F149 WeakPolarHBondContact O-CE2 3.48Å; F149-L173 WeakPolarHBondContact CA-O 3.23Å; F149-L173 HydrophobicContact CD1-CB 3.81Å; F149-L173 HydrophobicContact CD1-CD2 3.92Å; F149-L173 HydrophobicContact CD1-CG 4.39Å; F149-L173 HydrophobicContact CE1-CB 4.09Å; F149-L173 HydrophobicContact CE1-CD2 4.01Å; F149-I427 HydrophobicContact CE1-CD1 3.95Å; F149-I427 HydrophobicContact CZ-CD1 3.82Å
150G98.9Very high91.8Very high0 Ų014 Ų140%09%0.086CC..EExtended strand (participates in β ladder)trans-175.2149.3169.100000112.5G154 G155 L173 A175G150-G154 VanDerWaalsContact CA-C 3.44Å; G150-G154 WeakPolarHBondContact CA-O 3.09Å; G150-G155 WeakPolarHBondContact O-CA 3.38Å; G150-G155 PolarHBondContact O-N 3.16Å; G150-L173 PolarHBondContact N-O 3.08Å; G150-A175 PolarHBondContact O-N 3.12Å
151G98.5Very high93.5Very high1 Ų19.8 Ų9.81%0.016%0.056CC..EExtended strand (participates in β ladder)trans-105.4146.6170.700000111Y65 Y153 G154 G155 A175Y65-G151 PolarHBondContact OH-N 3.45Å; G151-Y153 PolarHBondContact O-N 3.17Å; G151-G154 VanDerWaalsContact O-CA 3.26Å; G151-G154 WeakPolarHBondContact O-CA 3.2Å; G151-G154 PolarHBondContact O-N 2.81Å; G151-G155 PolarHBondContact O-N 2.9Å; G151-A175 CarbonylContact C-O 3.52Å; G151-A175 VanDerWaalsContact CA-O 3.28Å; G151-A175 WeakPolarHBondContact CA-O 3.49Å
152S98Very high95.3Very high15 Ų1510.7 Ų10.711%0.1056%0.057CC..THydrogen-bonded Turntrans60.4-131175.2-156.50000112.4G154 G155 M156 A175 S176 H401S152-G154 PolarHBondContact O-N 3.42Å; S152-G155 WeakPolarHBondContact O-CA 3.33Å; S152-G155 PolarHBondContact O-N 2.89Å; S152-M156 PolarHBondContact O-N 2.88Å; S152-M156 VanDerWaalsContact O-N 3.09Å; S152-A175 PolarHBondContact N-O 3.37Å; S152-S176 WeakPolarHBondContact CA-O 3.27Å; S152-H401 WeakPolarHBondContact CB-NE2 3.48Å; S152-H401 PolarHBondContact OG-NE2 3.37Å
153Y98.3Very high97Very high18 Ų186.8 Ų6.87%0.0713%0.032CC..Hα-helixtrans-55.7-33.9169.2174.5-135.7000112.7N68 E69 H98 G151 G155 M156 L157 W160 Q310 M315N68-Y153 HydrophobicContact CB-CD1 3.84Å; N68-Y153 HydrophobicContact CB-CG 4.36Å; E69-Y153 VanDerWaalsContact OE2-CB 3.27Å; E69-Y153 WeakPolarHBondContact OE2-CB 3.32Å; E69-Y153 WeakPolarHBondContact OE2-CD1 3.41Å; H98-Y153 AromaticContact CD2-CE1 3.88Å; H98-Y153 AromaticContact NE2-CE1 3.59Å; H98-Y153 AromaticContact NE2-CZ 3.77Å; H98-Y153 PolarHBondContact NE2-OH 3.36Å; H98-Y153 VanDerWaalsContact NE2-OH 3.17Å; G151-Y153 PolarHBondContact O-N 3.17Å; Y153-G155 VanDerWaalsContact C-N 3.26Å; Y153-G155 PolarHBondContact O-N 3.4Å; Y153-M156 HydrophobicContact CD2-CB 4.29Å; Y153-M156 HydrophobicContact CD2-SD 4.25Å; Y153-M156 WeakPolarHBondContact O-CA 3.46Å; Y153-M156 WeakPolarHBondContact O-CB 2.96Å; Y153-M156 PolarHBondContact O-N 3.37Å; Y153-M156 VanDerWaalsContact O-N 3.11Å; Y153-L157 HydrophobicContact CD1-CD1 4.19Å; Y153-L157 HydrophobicContact CD2-CD1 4.44Å; Y153-L157 HydrophobicContact CD2-CG 4.19Å; Y153-L157 HydrophobicContact CE1-CD1 3.81Å; Y153-L157 HydrophobicContact CE1-CG 4.4Å; Y153-L157 HydrophobicContact CE2-CD1 4.08Å; Y153-L157 HydrophobicContact CE2-CD2 3.9Å; Y153-L157 HydrophobicContact CE2-CG 3.76Å; Y153-L157 HydrophobicContact CG-CD1 4.48Å; Y153-L157 WeakPolarHBondContact O-CG 3.23Å; Y153-L157 PolarHBondContact O-N 3.26Å; Y153-W160 AromaticContact CE2-CZ3 3.96Å; Y153-W160 HydrophobicContact CE2-CZ3 3.96Å; Y153-Q310 PolarHBondContact OH-NE2 2.87Å; Y153-M315 HydrophobicContact CE2-CE 4.12Å; Y153-M315 HydrophobicContact CE2-SD 4.31Å
154G98.7Very high98Very high0 Ų09.6 Ų9.60%04%0.044CC..Hα-helixtrans-60.5-36.8171.400000112.3C66 N68 G150 G151 S152 L157 A158C66-G154 WeakPolarHBondContact O-CA 3.19Å; N68-G154 VanDerWaalsContact CB-N 3.34Å; G150-G154 VanDerWaalsContact CA-C 3.44Å; G150-G154 WeakPolarHBondContact CA-O 3.09Å; G151-G154 VanDerWaalsContact O-CA 3.26Å; G151-G154 WeakPolarHBondContact O-CA 3.2Å; G151-G154 PolarHBondContact O-N 2.81Å; S152-G154 PolarHBondContact O-N 3.42Å; G154-L157 WeakPolarHBondContact O-CB 3.31Å; G154-L157 PolarHBondContact O-N 3.23Å; G154-A158 WeakPolarHBondContact O-CB 3.36Å; G154-A158 PolarHBondContact O-N 3.18Å
155G98.8Very high98.3Very high0 Ų011.7 Ų11.70%05%0.052CC..Hα-helixtrans-67.8-36.4174.200000112.2G150 G151 S152 Y153 A158 A159 A174 A177G150-G155 WeakPolarHBondContact O-CA 3.38Å; G150-G155 PolarHBondContact O-N 3.16Å; G151-G155 PolarHBondContact O-N 2.9Å; S152-G155 WeakPolarHBondContact O-CA 3.33Å; S152-G155 PolarHBondContact O-N 2.89Å; Y153-G155 VanDerWaalsContact C-N 3.26Å; Y153-G155 PolarHBondContact O-N 3.4Å; G155-A158 PolarHBondContact O-N 2.89Å; G155-A159 PolarHBondContact O-N 3.4Å; G155-A174 VanDerWaalsContact O-CB 3.23Å; G155-A174 WeakPolarHBondContact O-CB 3.4Å; G155-A177 VanDerWaalsContact C-CB 3.45Å
156M98.7Very high98.4Very high1 Ų114.8 Ų14.81%0.0057%0.072CC..Hα-helixtrans-61.3-47.8170.7-58.3168.761.600110.1S152 Y153 A158 A159 W160 A177 P178 V179 F182 M315 M317S152-M156 PolarHBondContact O-N 2.88Å; S152-M156 VanDerWaalsContact O-N 3.09Å; Y153-M156 HydrophobicContact CD2-CB 4.29Å; Y153-M156 HydrophobicContact CD2-SD 4.25Å; Y153-M156 WeakPolarHBondContact O-CA 3.46Å; Y153-M156 WeakPolarHBondContact O-CB 2.96Å; Y153-M156 PolarHBondContact O-N 3.37Å; Y153-M156 VanDerWaalsContact O-N 3.11Å; M156-A158 PolarHBondContact O-N 3.37Å; M156-A159 PolarHBondContact O-N 2.95Å; M156-W160 HydrophobicContact CB-CD2 4.3Å; M156-W160 HydrophobicContact CB-CE3 4.38Å; M156-W160 HydrophobicContact CB-CH2 4.01Å; M156-W160 HydrophobicContact CB-CZ2 3.87Å; M156-W160 HydrophobicContact CB-CZ3 4.24Å; M156-W160 HydrophobicContact CE-CH2 3.39Å; M156-W160 HydrophobicContact CE-CZ2 3.4Å; M156-W160 HydrophobicContact CE-CZ3 4.46Å; M156-W160 WeakPolarHBondContact O-CB 3.21Å; M156-W160 PolarHBondContact O-N 3.15Å; M156-A177 HydrophobicContact CG-CB 4.14Å; M156-P178 HydrophobicContact SD-CG 3.75Å; M156-V179 HydrophobicContact CB-CG1 4.08Å; M156-V179 HydrophobicContact CG-CG1 3.81Å; M156-F182 HydrophobicContact CE-CE2 3.94Å; M156-F182 HydrophobicContact CE-CZ 3.77Å; M156-M315 HydrophobicContact CE-SD 4.08Å; M156-M317 HydrophobicContact CE-CE 3.75Å; M156-M317 HydrophobicContact SD-CE 4.06Å
157L98.8Very high98.2Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-60.2-42.3176.2-67.8168.3000112.3C66 G67 N68 L124 F127 Y153 G154 W160 M161C66-L157 HydrophobicContact CB-CB 3.8Å; G67-L157 WeakPolarHBondContact O-CD1 3.48Å; N68-L157 HydrophobicContact CB-CD1 4.49Å; L124-L157 HydrophobicContact CD2-CB 4.35Å; L124-L157 HydrophobicContact CD2-CD2 3.83Å; L124-L157 WeakPolarHBondContact CD2-O 3.29Å; L124-L157 HydrophobicContact CG-CD2 4.18Å; F127-L157 HydrophobicContact CE2-CB 4.39Å; F127-L157 HydrophobicContact CE2-CD1 4.17Å; Y153-L157 HydrophobicContact CD1-CD1 4.19Å; Y153-L157 HydrophobicContact CD2-CD1 4.44Å; Y153-L157 HydrophobicContact CD2-CG 4.19Å; Y153-L157 HydrophobicContact CE1-CD1 3.81Å; Y153-L157 HydrophobicContact CE1-CG 4.4Å; Y153-L157 HydrophobicContact CE2-CD1 4.08Å; Y153-L157 HydrophobicContact CE2-CD2 3.9Å; Y153-L157 HydrophobicContact CE2-CG 3.76Å; Y153-L157 HydrophobicContact CG-CD1 4.48Å; Y153-L157 WeakPolarHBondContact O-CG 3.23Å; Y153-L157 PolarHBondContact O-N 3.26Å; G154-L157 WeakPolarHBondContact O-CB 3.31Å; G154-L157 PolarHBondContact O-N 3.23Å; L157-W160 HydrophobicContact CD2-CE3 4.11Å; L157-W160 HydrophobicContact CD2-CZ3 4.39Å; L157-W160 PolarHBondContact O-N 3.22Å; L157-M161 WeakPolarHBondContact O-CB 3.31Å; L157-M161 VanDerWaalsContact O-CG 3.3Å; L157-M161 WeakPolarHBondContact O-CG 3.35Å; L157-M161 PolarHBondContact O-N 3.27Å
158A98.9Very high98.1Very high0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-62.5-45177.100000112C66 A148 G154 G155 M156 M161 R162 A172C66-A158 HydrophobicContact CB-CB 4.49Å; A148-A158 HydrophobicContact CB-CB 4.06Å; G154-A158 WeakPolarHBondContact O-CB 3.36Å; G154-A158 PolarHBondContact O-N 3.18Å; G155-A158 PolarHBondContact O-N 2.89Å; M156-A158 PolarHBondContact O-N 3.37Å; A158-M161 PolarHBondContact O-N 3.01Å; A158-R162 PolarHBondContact O-N 2.77Å; A158-A172 WeakPolarHBondContact O-CB 3.27Å
159A98.6Very high98.1Very high0 Ų022.3 Ų22.30%011%0.107CC..Hα-helixtrans-61.2-46.417400000111.2G155 M156 M161 R162 I163 A174 V179 I369 F371G155-A159 PolarHBondContact O-N 3.4Å; M156-A159 PolarHBondContact O-N 2.95Å; A159-M161 VanDerWaalsContact C-N 3.34Å; A159-M161 PolarHBondContact O-N 3.02Å; A159-R162 PolarHBondContact O-N 2.86Å; A159-R162 VanDerWaalsContact O-N 3.16Å; A159-I163 WeakPolarHBondContact O-CG1 3.44Å; A159-I163 PolarHBondContact O-N 2.95Å; A159-A174 HydrophobicContact CB-CB 3.95Å; A159-V179 HydrophobicContact CB-CG1 4.5Å; A159-I369 HydrophobicContact CB-CD1 4.24Å; A159-I369 HydrophobicContact CB-CG2 4.36Å; A159-F371 HydrophobicContact CB-CE1 3.78Å; A159-F371 HydrophobicContact CB-CZ 3.92Å
160W98.6Very high98Very high4 Ų423.1 Ų23.12%0.01511%0.112CC..Hα-helixtrans-68.5-32-178.9-59.4-18.2000113.1L124 Y153 M156 L157 R162 I163 K164 M315 Y358L124-W160 HydrophobicContact CD1-CB 3.8Å; L124-W160 HydrophobicContact CD1-CE3 4.49Å; L124-W160 HydrophobicContact CD2-CB 4.06Å; Y153-W160 AromaticContact CE2-CZ3 3.96Å; Y153-W160 HydrophobicContact CE2-CZ3 3.96Å; M156-W160 HydrophobicContact CB-CD2 4.3Å; M156-W160 HydrophobicContact CB-CE3 4.38Å; M156-W160 HydrophobicContact CB-CH2 4.01Å; M156-W160 HydrophobicContact CB-CZ2 3.87Å; M156-W160 HydrophobicContact CB-CZ3 4.24Å; M156-W160 HydrophobicContact CE-CH2 3.39Å; M156-W160 HydrophobicContact CE-CZ2 3.4Å; M156-W160 HydrophobicContact CE-CZ3 4.46Å; M156-W160 WeakPolarHBondContact O-CB 3.21Å; M156-W160 PolarHBondContact O-N 3.15Å; L157-W160 HydrophobicContact CD2-CE3 4.11Å; L157-W160 HydrophobicContact CD2-CZ3 4.39Å; L157-W160 PolarHBondContact O-N 3.22Å; W160-R162 VanDerWaalsContact C-N 3.34Å; W160-I163 PolarHBondContact O-N 3.48Å; W160-K164 WeakPolarHBondContact O-CB 3.34Å; W160-K164 PolarHBondContact O-N 3.41Å; W160-M315 HydrophobicContact CH2-CE 3.62Å; W160-M315 HydrophobicContact CH2-SD 3.85Å; W160-M315 HydrophobicContact CZ3-CE 3.74Å; W160-M315 HydrophobicContact CZ3-SD 4.44Å; W160-Y358 HydrophobicContact CB-CD1 3.85Å; W160-Y358 HydrophobicContact CB-CE1 4.04Å; W160-Y358 HydrophobicContact CB-CG 4.47Å; W160-Y358 AromaticContact CD1-CD1 3.89Å; W160-Y358 AromaticContact CD1-CG 3.7Å; W160-Y358 AromaticContact CD2-CD1 3.82Å; W160-Y358 HydrophobicContact CD2-CD1 3.82Å; W160-Y358 AromaticContact CD2-CD2 3.65Å; W160-Y358 HydrophobicContact CD2-CD2 3.65Å; W160-Y358 HydrophobicContact CD2-CE1 4.05Å; W160-Y358 AromaticContact CD2-CE2 3.89Å; W160-Y358 HydrophobicContact CD2-CE2 3.89Å; W160-Y358 AromaticContact CD2-CG 3.63Å; W160-Y358 HydrophobicContact CD2-CG 3.63Å; W160-Y358 AromaticContact CE2-CD2 3.45Å; W160-Y358 VanDerWaalsContact CE2-CD2 3.45Å; W160-Y358 AromaticContact CE2-CG 3.55Å; W160-Y358 HydrophobicContact CE3-CD1 4.37Å; W160-Y358 AromaticContact CE3-CD2 3.94Å; W160-Y358 HydrophobicContact CE3-CD2 3.94Å; W160-Y358 HydrophobicContact CE3-CE1 4.15Å; W160-Y358 AromaticContact CE3-CE2 3.69Å; W160-Y358 HydrophobicContact CE3-CE2 3.69Å; W160-Y358 HydrophobicContact CE3-CG 4.28Å; W160-Y358 AromaticContact CE3-CZ 3.8Å; W160-Y358 AromaticContact CG-CD1 3.57Å; W160-Y358 HydrophobicContact CG-CD1 3.57Å; W160-Y358 HydrophobicContact CG-CD2 4.24Å; W160-Y358 HydrophobicContact CG-CE1 4.03Å; W160-Y358 AromaticContact CG-CG 3.7Å; W160-Y358 HydrophobicContact CG-CG 3.7Å; W160-Y358 AromaticContact CH2-CD2 3.78Å; W160-Y358 HydrophobicContact CH2-CD2 3.78Å; W160-Y358 AromaticContact CH2-CE2 3.81Å; W160-Y358 HydrophobicContact CH2-CE2 3.81Å; W160-Y358 AromaticContact CZ2-CD2 3.52Å; W160-Y358 HydrophobicContact CZ2-CD2 3.52Å; W160-Y358 HydrophobicContact CZ2-CE2 4.05Å; W160-Y358 HydrophobicContact CZ2-CG 4.09Å; W160-Y358 HydrophobicContact CZ3-CD2 4Å; W160-Y358 AromaticContact CZ3-CE2 3.65Å; W160-Y358 HydrophobicContact CZ3-CE2 3.65Å; W160-Y358 VanDerWaalsContact NE1-CB 3.33Å; W160-Y358 AromaticContact NE1-CD2 3.98Å; W160-Y358 AromaticContact NE1-CG 3.62Å
161M98.7Very high98Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-59.8-44.6170.1-83-56.7-68.700110.8L124 F127 A128 I131 L157 A158 A159 Y165 I169L124-M161 HydrophobicContact CB-SD 3.94Å; L124-M161 HydrophobicContact CD2-CB 4.38Å; L124-M161 HydrophobicContact CD2-CG 3.51Å; L124-M161 HydrophobicContact CD2-SD 3.58Å; L124-M161 VanDerWaalsContact CD2-SD 3.58Å; L124-M161 HydrophobicContact CG-SD 4.36Å; L124-M161 VanDerWaalsContact O-SD 3.39Å; F127-M161 HydrophobicContact CB-CE 3.8Å; F127-M161 HydrophobicContact CB-SD 3.85Å; F127-M161 HydrophobicContact CD2-CG 4.19Å; F127-M161 HydrophobicContact CD2-SD 4.2Å; A128-M161 HydrophobicContact CB-CE 4.45Å; I131-M161 HydrophobicContact CD1-CE 3.9Å; L157-M161 WeakPolarHBondContact O-CB 3.31Å; L157-M161 VanDerWaalsContact O-CG 3.3Å; L157-M161 WeakPolarHBondContact O-CG 3.35Å; L157-M161 PolarHBondContact O-N 3.27Å; A158-M161 PolarHBondContact O-N 3.01Å; A159-M161 VanDerWaalsContact C-N 3.34Å; A159-M161 PolarHBondContact O-N 3.02Å; M161-Y165 HydrophobicContact CE-CD2 4.17Å; M161-Y165 HydrophobicContact CE-CG 4.43Å; M161-Y165 CarbonylContact O-C 3.48Å; M161-Y165 WeakPolarHBondContact O-CA 3.3Å; M161-Y165 WeakPolarHBondContact O-CB 3.33Å; M161-Y165 PolarHBondContact O-N 3.49Å; M161-Y165 HydrophobicContact SD-CD2 3.9Å; M161-Y165 HydrophobicContact SD-CE2 4.33Å; M161-I169 HydrophobicContact CB-CG1 4.04Å; M161-I169 HydrophobicContact CE-CD1 4.09Å; M161-I169 HydrophobicContact CE-CG1 4.15Å
162R98.4Very high98Very high28 Ų2823.1 Ų23.111%0.10611%0.112CC..Hα-helixtrans-66.9-37.9175.1176.957.9-1711647.1112.6A158 A159 W160 P166 I169 A172 T367 I369A158-R162 PolarHBondContact O-N 2.77Å; A159-R162 PolarHBondContact O-N 2.86Å; A159-R162 VanDerWaalsContact O-N 3.16Å; W160-R162 VanDerWaalsContact C-N 3.34Å; R162-P166 PolarHBondContact NH1-O 2.65Å; R162-P166 VanDerWaalsContact NH1-O 3.08Å; R162-P166 WeakPolarHBondContact O-CB 3.44Å; R162-I169 HydrophobicContact CB-CG2 3.97Å; R162-I169 VanDerWaalsContact CD-O 3.27Å; R162-I169 WeakPolarHBondContact CD-O 3.41Å; R162-I169 PolarHBondContact NH1-O 2.88Å; R162-A172 HydrophobicContact CB-CB 3.84Å; R162-T367 PolarHBondContact NE-O 3.4Å; R162-T367 PolarHBondContact NH2-O 3.04Å; R162-T367 PolarHBondContact NH2-OG1 3.46Å; R162-I369 HydrophobicContact CB-CD1 4.04Å; R162-I369 HydrophobicContact CB-CG1 4.09Å; R162-I369 HydrophobicContact CG-CD1 3.95Å; R162-I369 HydrophobicContact CG-CG1 3.67Å
163I97.4Very high98Very high41 Ų4122.5 Ų22.521%0.2111%0.107CC..Hα-helixtrans-67.1-47.3178.9-69.2166.9000111.6A159 W160 L363 V366 I369A159-I163 WeakPolarHBondContact O-CG1 3.44Å; A159-I163 PolarHBondContact O-N 2.95Å; W160-I163 PolarHBondContact O-N 3.48Å; I163-L363 HydrophobicContact CD1-CD2 4.01Å; I163-V366 HydrophobicContact CD1-CG1 4.4Å; I163-V366 HydrophobicContact CD1-CG2 4.32Å; I163-V366 HydrophobicContact CG1-CB 4.46Å; I163-V366 HydrophobicContact CG1-CG1 3.69Å; I163-V366 HydrophobicContact CG1-CG2 3.85Å; I163-I369 HydrophobicContact CD1-CD1 4.4Å; I163-I369 HydrophobicContact CG1-CD1 4.05Å
164K97.8Very high98Very high86 Ų8621.6 Ų21.637%0.37410%0.104SC..Hα-helixtrans-89.3-31.4-173.1-66.4-61.9-162.5177.90113.7W160 P166 N357 Y358W160-K164 WeakPolarHBondContact O-CB 3.34Å; W160-K164 PolarHBondContact O-N 3.41Å; K164-P166 WeakPolarHBondContact O-CD 3.45Å; K164-N357 WeakPolarHBondContact CE-O 3.41Å; K164-N357 WeakPolarHBondContact CE-OD1 3.39Å; K164-N357 PolarHBondContact NZ-O 2.77Å; K164-N357 PolarHBondContact NZ-OD1 2.89Å; K164-Y358 HydrophobicContact CG-CD1 4.47Å; K164-Y358 HydrophobicContact CG-CE1 4.41Å
165Y98.2Very high98.1Very high52 Ų5221.6 Ų21.620%0.20410%0.104CC..  trans-123.653.6-177.6-55.8-91.4000112.2L124 A128 M161 H167 L168 I169L124-Y165 HydrophobicContact CB-CE2 4.03Å; A128-Y165 HydrophobicContact CB-CD1 3.76Å; A128-Y165 HydrophobicContact CB-CE1 3.64Å; A128-Y165 HydrophobicContact CB-CE2 4.46Å; A128-Y165 HydrophobicContact CB-CG 4.23Å; M161-Y165 HydrophobicContact CE-CD2 4.17Å; M161-Y165 HydrophobicContact CE-CG 4.43Å; M161-Y165 CarbonylContact O-C 3.48Å; M161-Y165 WeakPolarHBondContact O-CA 3.3Å; M161-Y165 WeakPolarHBondContact O-CB 3.33Å; M161-Y165 PolarHBondContact O-N 3.49Å; M161-Y165 HydrophobicContact SD-CD2 3.9Å; M161-Y165 HydrophobicContact SD-CE2 4.33Å; Y165-H167 AromaticContact CD1-CE1 3.74Å; Y165-H167 PolarHBondContact O-N 2.63Å; Y165-L168 HydrophobicContact CD1-CD1 4.21Å; Y165-L168 PolarHBondContact O-N 2.89Å; Y165-I169 PolarHBondContact O-N 3.17Å
166P96.8Very high98Very high64 Ų6421.6 Ų21.642%0.41610%0.104SC..THydrogen-bonded Turntrans-65.6-12.7-178.528.5-36.6000113.8R162 K164R162-P166 PolarHBondContact NH1-O 2.65Å; R162-P166 VanDerWaalsContact NH1-O 3.08Å; R162-P166 WeakPolarHBondContact O-CB 3.44Å; K164-P166 WeakPolarHBondContact O-CD 3.45Å
167H94.6Very high98Very high140 Ų14021.6 Ų21.665%0.64810%0.104SC*.THydrogen-bonded Turntrans-80.8-19.8172.561-78.7000112.8Y165Y165-H167 AromaticContact CD1-CE1 3.74Å; Y165-H167 PolarHBondContact O-N 2.63Å
168L96.3Very high98Very high17 Ų1721.8 Ų21.89%0.08911%0.105CC..THydrogen-bonded Turntrans-99.3-35.7175.8-64.4-178.8000112.8A128 I131 K135 V146 Y165A128-L168 HydrophobicContact CB-CD1 3.68Å; I131-L168 HydrophobicContact CG2-CB 4.43Å; K135-L168 PolarHBondContact NZ-O 3.47Å; V146-L168 WeakPolarHBondContact CB-O 3.49Å; V146-L168 WeakPolarHBondContact CG2-O 3.27Å; Y165-L168 HydrophobicContact CD1-CD1 4.21Å; Y165-L168 PolarHBondContact O-N 2.89Å
169I97.8Very high97.9Very high1 Ų122.1 Ų22.11%0.00511%0.107CC..  trans-110.1117.6-172.7-54.1-57.7000110.2I131 V146 A148 M161 R162 Y165 G171I131-I169 HydrophobicContact CD1-CD1 3.61Å; V146-I169 HydrophobicContact CB-CD1 4.19Å; V146-I169 HydrophobicContact CG1-CD1 3.75Å; V146-I169 CarbonylContact O-C 3.41Å; A148-I169 HydrophobicContact CB-CD1 4.32Å; A148-I169 HydrophobicContact CB-CG2 3.78Å; M161-I169 HydrophobicContact CB-CG1 4.04Å; M161-I169 HydrophobicContact CE-CD1 4.09Å; M161-I169 HydrophobicContact CE-CG1 4.15Å; R162-I169 HydrophobicContact CB-CG2 3.97Å; R162-I169 VanDerWaalsContact CD-O 3.27Å; R162-I169 WeakPolarHBondContact CD-O 3.41Å; R162-I169 PolarHBondContact NH1-O 2.88Å; Y165-I169 PolarHBondContact O-N 3.17Å; I169-G171 WeakPolarHBondContact CG2-O 3.35Å
170D97Very high97.9Very high18 Ų1822.1 Ų22.110%0.09611%0.107CC..SBendtrans-79.8-26.2-178.9-66.5-85.8000113.4Y143 P145 V146 I147 N368 T434Y143-D170 PolarHBondContact OH-OD1 2.94Å; P145-D170 WeakPolarHBondContact CA-OD2 3.35Å; P145-D170 WeakPolarHBondContact CB-OD2 3.26Å; V146-D170 PolarHBondContact N-OD2 3.43Å; V146-D170 PolarHBondContact O-N 3.27Å; I147-D170 HydrophobicContact CD1-CB 4.16Å; D170-N368 WeakPolarHBondContact O-CB 3.47Å; D170-N368 PolarHBondContact O-ND2 3.47Å; D170-T434 WeakPolarHBondContact OD1-CG2 3.28Å; D170-T434 PolarHBondContact OD1-OG1 2.04Å
171G98.5Very high97.8Very high0 Ų022 Ų220%011%0.107CC..EExtended strand (participates in β ladder)trans-169.1165.8172.600000112.2I147 A148 I169 N368I147-G171 CarbonylContact C-O 3.42Å; I147-G171 WeakPolarHBondContact CA-O 3.38Å; A148-G171 PolarHBondContact N-O 3.45Å; I169-G171 WeakPolarHBondContact CG2-O 3.35Å; G171-N368 CarbonylContact C-O 3.57Å; G171-N368 WeakPolarHBondContact CA-O 3.47Å
172A98.8Very high97.7Very high0 Ų022.2 Ų22.20%011%0.107CC..EExtended strand (participates in β ladder)trans-136.1136.7-179.400000113A148 A158 R162 N368 I369 V370 W430A148-A172 HydrophobicContact CB-CB 4.08Å; A148-A172 CarbonylContact O-C 3.54Å; A148-A172 VanDerWaalsContact O-CA 3.25Å; A148-A172 WeakPolarHBondContact O-CA 3.28Å; A158-A172 WeakPolarHBondContact O-CB 3.27Å; R162-A172 HydrophobicContact CB-CB 3.84Å; A172-N368 PolarHBondContact N-O 2.85Å; A172-I369 HydrophobicContact CB-CG1 4.36Å; A172-I369 HydrophobicContact CB-CG2 4.38Å; A172-I369 WeakPolarHBondContact O-CA 3.46Å; A172-V370 PolarHBondContact O-N 3.06Å; A172-W430 WeakPolarHBondContact O-CH2 3.34Å
173L98.8Very high97.5Very high2 Ų221.6 Ų21.61%0.0111%0.107CC..EExtended strand (participates in β ladder)trans-102.8108.4164.6-178.561.6000108.9F81 A148 F149 G150 V370 L405 E423F81-L173 HydrophobicContact CD1-CD2 4.18Å; F81-L173 HydrophobicContact CE1-CD2 3.65Å; A148-L173 PolarHBondContact O-N 3.05Å; F149-L173 WeakPolarHBondContact CA-O 3.23Å; F149-L173 HydrophobicContact CD1-CB 3.81Å; F149-L173 HydrophobicContact CD1-CD2 3.92Å; F149-L173 HydrophobicContact CD1-CG 4.39Å; F149-L173 HydrophobicContact CE1-CB 4.09Å; F149-L173 HydrophobicContact CE1-CD2 4.01Å; G150-L173 PolarHBondContact N-O 3.08Å; L173-V370 HydrophobicContact CD1-CB 3.72Å; L173-V370 HydrophobicContact CD1-CG1 3.53Å; L173-L405 HydrophobicContact CD2-CD2 3.91Å; L173-E423 HydrophobicContact CD1-CG 3.73Å; L173-E423 HydrophobicContact CD2-CB 4.37Å; L173-E423 HydrophobicContact CD2-CG 4.18Å
174A98.8Very high97.3Very high0 Ų023.5 Ų23.50%014%0.137CC..EExtended strand (participates in β ladder)trans-106.387.1-177.600000109.8G155 A159 A177 I369 V370 F371 S372G155-A174 VanDerWaalsContact O-CB 3.23Å; G155-A174 WeakPolarHBondContact O-CB 3.4Å; A159-A174 HydrophobicContact CB-CB 3.95Å; A174-A177 HydrophobicContact CB-CB 3.95Å; A174-I369 HydrophobicContact CB-CG2 4.25Å; A174-V370 PolarHBondContact N-O 2.87Å; A174-F371 HydrophobicContact CB-CD1 3.68Å; A174-F371 HydrophobicContact CB-CE1 3.83Å; A174-F371 HydrophobicContact CB-CG 4.5Å; A174-F371 WeakPolarHBondContact O-CA 3.13Å; A174-S372 PolarHBondContact O-N 3.03Å
175A98.9Very high97.2Very high0 Ų021.9 Ų21.90%013%0.132CC..EExtended strand (participates in β ladder)trans-86.1127.8-172.500000112.6G150 G151 S152 A177 S372 H402 D404 L405G150-A175 PolarHBondContact O-N 3.12Å; G151-A175 CarbonylContact C-O 3.52Å; G151-A175 VanDerWaalsContact CA-O 3.28Å; G151-A175 WeakPolarHBondContact CA-O 3.49Å; S152-A175 PolarHBondContact N-O 3.37Å; A175-A177 PolarHBondContact O-N 3.47Å; A175-S372 VanDerWaalsContact CA-OG 3.23Å; A175-S372 WeakPolarHBondContact CA-OG 3.32Å; A175-S372 WeakPolarHBondContact CB-OG 3.13Å; A175-H402 HydrophobicContact CB-CB 3.75Å; A175-D404 VanDerWaalsContact CB-OD2 3.25Å; A175-D404 WeakPolarHBondContact CB-OD2 3.34Å; A175-L405 HydrophobicContact CB-CD1 3.62Å; A175-L405 HydrophobicContact CB-CD2 4.22Å; A175-L405 HydrophobicContact CB-CG 3.58Å
176S98.6Very high97Very high0 Ų019.9 Ų19.90%013%0.125CC..THydrogen-bonded Turntrans44.445.8-174-77.50000112.3S152 P178 S372 D377 H401 H402S152-S176 WeakPolarHBondContact CA-O 3.27Å; S176-P178 WeakPolarHBondContact O-CD 3.37Å; S176-S372 WeakPolarHBondContact CA-O 3.3Å; S176-S372 PolarHBondContact N-O 3.22Å; S176-D377 WeakPolarHBondContact CB-OD2 3.21Å; S176-D377 PolarHBondContact OG-OD2 2.85Å; S176-H401 WeakPolarHBondContact CB-ND1 3.45Å; S176-H402 PolarHBondContact OG-N 3.02Å
177A98.5Very high97Very high1 Ų120.9 Ų20.91%0.00813%0.132CC..  trans-91.2107-175.200000111.1G155 M156 A174 A175 V179 F371G155-A177 VanDerWaalsContact C-CB 3.45Å; M156-A177 HydrophobicContact CG-CB 4.14Å; A174-A177 HydrophobicContact CB-CB 3.95Å; A175-A177 PolarHBondContact O-N 3.47Å; A177-V179 HydrophobicContact CB-CG1 4.22Å; A177-V179 PolarHBondContact O-N 3.23Å; A177-F371 HydrophobicContact CB-CD1 4.42Å
178P98.1Very high97Very high4 Ų415.9 Ų15.93%0.02611%0.112CC..  trans-80.552.6-176.535.2-37.6000112.2M156 S176 A180 Q181 W379 G382M156-P178 HydrophobicContact SD-CG 3.75Å; S176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-A180 PolarHBondContact O-N 3.38Å; P178-Q181 HydrophobicContact CB-CB 3.95Å; P178-Q181 WeakPolarHBondContact O-CB 3.22Å; P178-Q181 PolarHBondContact O-N 3.18Å; P178-W379 HydrophobicContact CB-CE3 3.77Å; P178-W379 HydrophobicContact CB-CZ3 4.45Å; P178-W379 HydrophobicContact CG-CD2 4.34Å; P178-W379 HydrophobicContact CG-CE3 3.77Å; P178-W379 HydrophobicContact CG-CZ3 4.3Å; P178-G382 CarbonylContact C-O 3.58Å; P178-G382 WeakPolarHBondContact CA-O 3.23Å
179V97.3Very high97Very high6 Ų616 Ų164%0.03611%0.114CC..THydrogen-bonded Turntrans-59.4-12.7-177.5-65.50000114.1M156 A159 A177 F182 F371 G382 I384M156-V179 HydrophobicContact CB-CG1 4.08Å; M156-V179 HydrophobicContact CG-CG1 3.81Å; A159-V179 HydrophobicContact CB-CG1 4.5Å; A177-V179 HydrophobicContact CB-CG1 4.22Å; A177-V179 PolarHBondContact O-N 3.23Å; V179-F182 WeakPolarHBondContact O-CD2 3.49Å; V179-F182 WeakPolarHBondContact O-CE2 3.28Å; V179-F371 HydrophobicContact CG1-CE1 4.04Å; V179-F371 HydrophobicContact CG2-CE1 3.92Å; V179-F371 HydrophobicContact CG2-CZ 4.42Å; V179-G382 PolarHBondContact N-O 3.42Å; V179-I384 HydrophobicContact CG2-CD1 3.78Å; V179-I384 HydrophobicContact CG2-CG1 3.67Å
180A97.1Very high96.9Very high0 Ų017.3 Ų17.30%012%0.122CC..THydrogen-bonded Turntrans-115.19.2-178.200000112.9P178 F182 L185 T186 R361 G382P178-A180 PolarHBondContact O-N 3.38Å; A180-F182 PolarHBondContact O-N 3.02Å; A180-L185 VanDerWaalsContact O-CB 3.27Å; A180-L185 WeakPolarHBondContact O-CB 3.49Å; A180-T186 PolarHBondContact O-OG1 3.2Å; A180-R361 HydrophobicContact CB-CG 3.89Å; A180-R361 VanDerWaalsContact CB-CZ 3.43Å; A180-R361 PolarHBondContact O-NH1 2.95Å; A180-G382 CarbonylContact C-O 3.49Å; A180-G382 VanDerWaalsContact CA-O 3.24Å; A180-G382 WeakPolarHBondContact CA-O 3.5Å; A180-G382 WeakPolarHBondContact CB-O 3.44Å; A180-G382 PolarHBondContact N-O 3.43Å
181Q96.9Very high96.8Very high3 Ų317 Ų171%0.01412%0.12CC..  trans-81.357.1173.1-165.862.13100111.7P178 M317 P318 W379 G382P178-Q181 HydrophobicContact CB-CB 3.95Å; P178-Q181 WeakPolarHBondContact O-CB 3.22Å; P178-Q181 PolarHBondContact O-N 3.18Å; Q181-M317 HydrophobicContact CB-SD 4.19Å; Q181-M317 HydrophobicContact CG-CB 4.07Å; Q181-M317 HydrophobicContact CG-CG 4.35Å; Q181-M317 HydrophobicContact CG-SD 4.17Å; Q181-M317 WeakPolarHBondContact O-CA 3.21Å; Q181-M317 WeakPolarHBondContact O-CB 3.49Å; Q181-M317 VanDerWaalsContact O-CG 3.22Å; Q181-M317 WeakPolarHBondContact O-CG 3.47Å; Q181-P318 PolarHBondContact NE2-O 3.25Å; Q181-P318 VanDerWaalsContact NE2-O 3.13Å; Q181-W379 HydrophobicContact CG-CZ3 4.15Å; Q181-G382 PolarHBondContact N-O 3.26Å
182F96.4Very high96.5Very high3 Ų317.5 Ų17.51%0.01312%0.123CC..SBendtrans-126.9164.4179.8-67.6-77.7000110.9M156 V179 A180 G184 L185 M315 M317 A354 V355M156-F182 HydrophobicContact CE-CE2 3.94Å; M156-F182 HydrophobicContact CE-CZ 3.77Å; V179-F182 WeakPolarHBondContact O-CD2 3.49Å; V179-F182 WeakPolarHBondContact O-CE2 3.28Å; A180-F182 PolarHBondContact O-N 3.02Å; F182-G184 PolarHBondContact O-N 3.31Å; F182-L185 HydrophobicContact CB-CD1 4.26Å; F182-L185 WeakPolarHBondContact O-CB 3.22Å; F182-L185 PolarHBondContact O-N 3.01Å; F182-M315 HydrophobicContact CE1-SD 4.42Å; F182-M315 HydrophobicContact CZ-SD 4.12Å; F182-M317 HydrophobicContact CZ-CE 4.21Å; F182-A354 HydrophobicContact CD1-CB 3.92Å; F182-A354 HydrophobicContact CE1-CB 3.29Å; F182-A354 HydrophobicContact CE2-CB 4.07Å; F182-A354 HydrophobicContact CZ-CB 3.38Å; F182-V355 HydrophobicContact CB-CG2 3.45Å; F182-V355 VanDerWaalsContact CB-CG2 3.45Å; F182-V355 HydrophobicContact CD2-CG2 4.12Å; F182-V355 HydrophobicContact CG-CG2 3.82Å
183P94.1Very high96.2Very high15 Ų1518.4 Ų18.410%0.09713%0.128CC..THydrogen-bonded Turntrans-54.8132.6-176.4-27.138.3000112.2L185 V316 P318 R351P183-L185 PolarHBondContact O-N 3.18Å; P183-V316 WeakPolarHBondContact CD-O 3.25Å; P183-V316 HydrophobicContact CG-CG1 4.48Å; P183-P318 HydrophobicContact CB-CG 4.22Å; P183-P318 HydrophobicContact CG-CG 3.8Å; P183-R351 HydrophobicContact CB-CG 3.85Å; P183-R351 HydrophobicContact CG-CG 3.61Å
184G93.1Very high95.9Very high81 Ų8119.2 Ų19.284%0.83513%0.132SC*.THydrogen-bonded Turntrans75.7-7.6-179.700000115.6F182F182-G184 PolarHBondContact O-N 3.31Å
185L95.6Very high95.5Very high52 Ų5219.2 Ų19.227%0.27213%0.132SC..THydrogen-bonded Turntrans-94.6-45.4-179-72.4-165.8000112.3A180 F182 P183 V355 R361A180-L185 VanDerWaalsContact O-CB 3.27Å; A180-L185 WeakPolarHBondContact O-CB 3.49Å; F182-L185 HydrophobicContact CB-CD1 4.26Å; F182-L185 WeakPolarHBondContact O-CB 3.22Å; F182-L185 PolarHBondContact O-N 3.01Å; P183-L185 PolarHBondContact O-N 3.18Å; L185-V355 HydrophobicContact CD1-CG1 4.16Å; L185-V355 HydrophobicContact CD1-CG2 3.7Å; L185-V355 HydrophobicContact CG-CG2 4.43Å; L185-R361 VanDerWaalsContact CB-NH1 3.3Å; L185-R361 PolarHBondContact O-NH1 3.45Å
186T95.6Very high95Very high10 Ų1020.4 Ų20.46%0.06114%0.139CC..SBendtrans-130.1136.1-179.3-56.10000109.6A180 C188 T190 R361 G381A180-T186 PolarHBondContact O-OG1 3.2Å; T186-C188 PolarHBondContact O-N 3.14Å; T186-T190 HydrophobicContact CG2-CG2 4.18Å; T186-R361 PolarHBondContact OG1-NH1 3.36Å; T186-R361 PolarHBondContact OG1-NH2 2.95Å; T186-G381 VanDerWaalsContact CG2-O 3.24Å; T186-G381 WeakPolarHBondContact CG2-O 3.1Å
187P95.6Very high94.4Very high85 Ų8524 Ų2455%0.55216%0.162SC*.  trans-55.8137.3174.8-2332.4000111.8S189 T190P187-S189 PolarHBondContact O-N 3.22Å; P187-S189 VanDerWaalsContact O-N 3.07Å; P187-T190 WeakPolarHBondContact CB-OG1 3.47Å; P187-T190 WeakPolarHBondContact CD-OG1 3.09Å; P187-T190 WeakPolarHBondContact O-CB 3.33Å; P187-T190 PolarHBondContact O-N 3.16Å; P187-T190 VanDerWaalsContact O-N 3.09Å; P187-T190 PolarHBondContact O-OG1 3.24Å; P187-T190 VanDerWaalsContact O-OG1 3.06Å
188C95.7Very high93.7Very high36 Ų3624.5 Ų24.524%0.24317%0.165CC..THydrogen-bonded Turntrans-61.4-23.2-175.459.90000113.8T186 P318 M319 C320 W332T186-C188 PolarHBondContact O-N 3.14Å; C188-P318 HydrophobicContact CB-CB 3.92Å; C188-M319 WeakPolarHBondContact O-CA 3.22Å; C188-C320 HydrophobicContact CB-CB 3.81Å; C188-C320 WeakPolarHBondContact CB-SG 3.4Å; C188-C320 PolarHBondContact O-N 3.41Å; C188-C320 WeakPolarHBondContact SG-CB 3.46Å; C188-C320 CovalentContact SG-SG 2.04Å; C188-C320 PolarHBondContact SG-SG 2.69Å; C188-W332 HydrophobicContact CB-CB 4.35Å
189S95.2Very high92.7Very high18 Ų1824.3 Ų24.313%0.12616%0.164CC..THydrogen-bonded Turntrans-85.2-10.9-179.568.80000114.6P187 F191 T192 D193 C320P187-S189 PolarHBondContact O-N 3.22Å; P187-S189 VanDerWaalsContact O-N 3.07Å; S189-F191 PolarHBondContact O-N 2.69Å; S189-T192 PolarHBondContact O-N 3.26Å; S189-T192 VanDerWaalsContact O-N 3.13Å; S189-T192 PolarHBondContact O-OG1 3.21Å; S189-D193 WeakPolarHBondContact CB-OD2 3.48Å; S189-D193 WeakPolarHBondContact O-CB 3.37Å; S189-D193 PolarHBondContact O-N 2.96Å; S189-D193 PolarHBondContact OG-OD2 2.95Å; S189-C320 VanDerWaalsContact CA-O 3.29Å; S189-C320 WeakPolarHBondContact CA-O 3.24Å; S189-C320 PolarHBondContact N-SG 3.05Å
190T95.2Very high92Very high29 Ų2924.2 Ų24.218%0.17816%0.163CC..Hα-helixtrans-58-38.7-169.8-60.50000112.3T186 P187 D193 I194 G381T186-T190 HydrophobicContact CG2-CG2 4.18Å; P187-T190 WeakPolarHBondContact CB-OG1 3.47Å; P187-T190 WeakPolarHBondContact CD-OG1 3.09Å; P187-T190 WeakPolarHBondContact O-CB 3.33Å; P187-T190 PolarHBondContact O-N 3.16Å; P187-T190 VanDerWaalsContact O-N 3.09Å; P187-T190 PolarHBondContact O-OG1 3.24Å; P187-T190 VanDerWaalsContact O-OG1 3.06Å; T190-D193 PolarHBondContact O-N 3.22Å; T190-I194 HydrophobicContact CG2-CD1 3.72Å; T190-I194 HydrophobicContact CG2-CG1 4.27Å; T190-I194 WeakPolarHBondContact O-CB 3.5Å; T190-I194 VanDerWaalsContact O-CG1 3.25Å; T190-I194 WeakPolarHBondContact O-CG1 3.27Å; T190-I194 PolarHBondContact O-N 2.97Å; T190-G381 VanDerWaalsContact CG2-CA 3.47Å
191F95.5Very high90.9Very high12 Ų1226.2 Ų26.25%0.05318%0.18CC..Hα-helixtrans-58.8-51.4177.6-177.7-86.1000112.2S189 I194 T195 M319 P378 W379S189-F191 PolarHBondContact O-N 2.69Å; F191-I194 PolarHBondContact O-N 3.14Å; F191-T195 PolarHBondContact O-N 3.43Å; F191-T195 PolarHBondContact O-OG1 3Å; F191-M319 HydrophobicContact CB-CE 3.99Å; F191-M319 HydrophobicContact CD1-CE 3.42Å; F191-M319 VanDerWaalsContact CD1-CE 3.42Å; F191-M319 HydrophobicContact CD2-CE 4.08Å; F191-M319 HydrophobicContact CE1-CE 3.84Å; F191-M319 HydrophobicContact CE2-CE 4.44Å; F191-M319 HydrophobicContact CG-CE 3.56Å; F191-M319 HydrophobicContact CZ-CE 4.34Å; F191-P378 HydrophobicContact CD1-CB 4.12Å; F191-P378 HydrophobicContact CD2-CB 3.53Å; F191-P378 HydrophobicContact CE1-CB 3.98Å; F191-P378 HydrophobicContact CE2-CB 3.37Å; F191-P378 HydrophobicContact CE2-CG 4.43Å; F191-P378 HydrophobicContact CG-CB 3.91Å; F191-P378 HydrophobicContact CZ-CB 3.61Å; F191-P378 HydrophobicContact CZ-CG 4.31Å; F191-W379 AromaticContact CD2-CD2 3.93Å; F191-W379 HydrophobicContact CD2-CD2 3.93Å; F191-W379 HydrophobicContact CD2-CE3 4.07Å; F191-W379 HydrophobicContact CD2-CG 4.31Å; F191-W379 HydrophobicContact CD2-CZ2 4.47Å; F191-W379 HydrophobicContact CD2-CZ3 4.42Å; F191-W379 AromaticContact CE2-CD1 3.81Å; F191-W379 AromaticContact CE2-CD2 3.61Å; F191-W379 HydrophobicContact CE2-CD2 3.61Å; F191-W379 AromaticContact CE2-CE2 3.43Å; F191-W379 VanDerWaalsContact CE2-CE2 3.43Å; F191-W379 HydrophobicContact CE2-CE3 4.19Å; F191-W379 AromaticContact CE2-CG 3.87Å; F191-W379 HydrophobicContact CE2-CG 3.87Å; F191-W379 HydrophobicContact CE2-CH2 4.42Å; F191-W379 AromaticContact CE2-CZ2 3.87Å; F191-W379 HydrophobicContact CE2-CZ2 3.87Å; F191-W379 AromaticContact CE2-NE1 3.57Å
192T92.8Very high89Confident10 Ų1030.9 Ų30.96%0.06120%0.204CC..Hα-helixtrans-73.6-31.8-179.654.80000113S189 T195 T196 C320 N321 F327S189-T192 PolarHBondContact O-N 3.26Å; S189-T192 VanDerWaalsContact O-N 3.13Å; S189-T192 PolarHBondContact O-OG1 3.21Å; T192-T195 WeakPolarHBondContact O-CB 3.25Å; T192-T195 PolarHBondContact O-N 3.31Å; T192-T196 PolarHBondContact O-N 3.27Å; T192-T196 PolarHBondContact O-OG1 2.98Å; T192-C320 PolarHBondContact OG1-O 2.83Å; T192-N321 WeakPolarHBondContact CG2-OD1 3.41Å; T192-F327 HydrophobicContact CG2-CD2 4.02Å; T192-F327 HydrophobicContact CG2-CE2 4.18Å
193D92.8Very high87Confident19 Ų1935.8 Ų35.810%0.10222%0.222CC..Hα-helixtrans-64.7-43.8174.8-66.9-17.9000109.8S189 T190 T196 T197 S322S189-D193 WeakPolarHBondContact CB-OD2 3.48Å; S189-D193 WeakPolarHBondContact O-CB 3.37Å; S189-D193 PolarHBondContact O-N 2.96Å; S189-D193 PolarHBondContact OG-OD2 2.95Å; T190-D193 PolarHBondContact O-N 3.22Å; D193-T196 PolarHBondContact O-N 3.36Å; D193-T197 VanDerWaalsContact O-CB 3.29Å; D193-T197 WeakPolarHBondContact O-CB 3.25Å; D193-T197 VanDerWaalsContact O-CG2 3.28Å; D193-T197 WeakPolarHBondContact O-CG2 3.3Å; D193-T197 PolarHBondContact O-N 3.26Å; D193-T197 PolarHBondContact O-OG1 3.43Å; D193-S322 WeakPolarHBondContact OD1-CB 3.23Å; D193-S322 PolarHBondContact OD1-OG 2.93Å; D193-S322 PolarHBondContact OD2-OG 3.4Å
194I92.9Very high84.7Confident19 Ų1935.5 Ų35.510%0.09722%0.221CC..Hα-helixtrans-66.6-41.1175.5-68.9170.2000111.2T190 F191 T196 T197 S198 A199T190-I194 HydrophobicContact CG2-CD1 3.72Å; T190-I194 HydrophobicContact CG2-CG1 4.27Å; T190-I194 WeakPolarHBondContact O-CB 3.5Å; T190-I194 VanDerWaalsContact O-CG1 3.25Å; T190-I194 WeakPolarHBondContact O-CG1 3.27Å; T190-I194 PolarHBondContact O-N 2.97Å; F191-I194 PolarHBondContact O-N 3.14Å; I194-T196 PolarHBondContact O-N 2.92Å; I194-T197 PolarHBondContact O-N 3.44Å; I194-S198 WeakPolarHBondContact O-CA 3.42Å; I194-S198 VanDerWaalsContact O-CB 3.32Å; I194-S198 WeakPolarHBondContact O-CB 3.28Å; I194-S198 PolarHBondContact O-N 3.43Å; I194-A199 PolarHBondContact O-N 3.42Å
195T90.7Very high82.3Confident0 Ų037 Ų370%022%0.218CC..Iπ-helixtrans-53.2-47.6174.5-58.60000110.3F191 T192 A199 F200 A233 M326 F327 P378F191-T195 PolarHBondContact O-N 3.43Å; F191-T195 PolarHBondContact O-OG1 3Å; T192-T195 WeakPolarHBondContact O-CB 3.25Å; T192-T195 PolarHBondContact O-N 3.31Å; T195-A199 WeakPolarHBondContact O-CB 3.29Å; T195-F200 HydrophobicContact CG2-CD2 4.15Å; T195-F200 HydrophobicContact CG2-CE2 4.21Å; T195-F200 WeakPolarHBondContact O-CD2 3.44Å; T195-F200 PolarHBondContact O-N 3.17Å; T195-F200 VanDerWaalsContact O-N 3.13Å; T195-A233 HydrophobicContact CG2-CB 4.11Å; T195-M326 HydrophobicContact CG2-CE 4.24Å; T195-F327 HydrophobicContact CG2-CE2 3.97Å; T195-F327 HydrophobicContact CG2-CZ 3.82Å; T195-P378 WeakPolarHBondContact OG1-CB 3.34Å; T195-P378 WeakPolarHBondContact OG1-CG 3.2Å
196T88.1Confident79.8Confident25 Ų2538.5 Ų38.515%0.15323%0.226CC..Iπ-helixtrans-69.3-56.3178.1-50.90000111.9T192 D193 I194 A201 G325 M326T192-T196 PolarHBondContact O-N 3.27Å; T192-T196 PolarHBondContact O-OG1 2.98Å; D193-T196 PolarHBondContact O-N 3.36Å; I194-T196 PolarHBondContact O-N 2.92Å; T196-A201 PolarHBondContact O-N 2.87Å; T196-A201 VanDerWaalsContact O-N 3.12Å; T196-G325 VanDerWaalsContact OG1-CA 3.28Å; T196-G325 WeakPolarHBondContact OG1-CA 3.33Å; T196-M326 HydrophobicContact CG2-CB 3.97Å; T196-M326 HydrophobicContact CG2-CG 4.18Å; T196-M326 PolarHBondContact OG1-N 2.86Å
197T85.2Confident77.6Confident77 Ų7739 Ų3947%0.47223%0.23SC..Iπ-helixtrans-84.5-17.6-164.860.30000114.9D193 I194 A201D193-T197 VanDerWaalsContact O-CB 3.29Å; D193-T197 WeakPolarHBondContact O-CB 3.25Å; D193-T197 VanDerWaalsContact O-CG2 3.28Å; D193-T197 WeakPolarHBondContact O-CG2 3.3Å; D193-T197 PolarHBondContact O-N 3.26Å; D193-T197 PolarHBondContact O-OG1 3.43Å; I194-T197 PolarHBondContact O-N 3.44Å; T197-A201 VanDerWaalsContact O-CB 3.28Å; T197-A201 WeakPolarHBondContact O-CB 3.27Å
198S83Confident75.1Confident10 Ų1041.5 Ų41.57%0.0724%0.239CC..Iπ-helixtrans-113.9-61.8178.4-58.10000110.4I194 L202 R380I194-S198 WeakPolarHBondContact O-CA 3.42Å; I194-S198 VanDerWaalsContact O-CB 3.32Å; I194-S198 WeakPolarHBondContact O-CB 3.28Å; I194-S198 PolarHBondContact O-N 3.43Å; S198-L202 VanDerWaalsContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CB 3.32Å; S198-L202 WeakPolarHBondContact O-CD1 3.33Å; S198-L202 WeakPolarHBondContact O-CG 3.4Å; S198-L202 PolarHBondContact O-N 2.84Å; S198-R380 PolarHBondContact OG-NH2 3.03Å; S198-R380 VanDerWaalsContact OG-NH2 3.16Å
199A78.5Confident72.7Confident0 Ų043.3 Ų43.30%024%0.244CC..Iπ-helixtrans-65.9-47.4-171.900000112.6I194 T195 A233 V252I194-A199 PolarHBondContact O-N 3.42Å; T195-A199 WeakPolarHBondContact O-CB 3.29Å; A199-A233 HydrophobicContact CB-CB 3.35Å; A199-V252 WeakPolarHBondContact O-CG1 3.26Å
200F82.4Confident70.2Confident4 Ų447.3 Ų47.32%0.01827%0.272CS..Iπ-helixtrans-89.1-29.4-177.4-79.1-101.8000113.8T195 Y229 L232 A233 V252 M326T195-F200 HydrophobicContact CG2-CD2 4.15Å; T195-F200 HydrophobicContact CG2-CE2 4.21Å; T195-F200 WeakPolarHBondContact O-CD2 3.44Å; T195-F200 PolarHBondContact O-N 3.17Å; T195-F200 VanDerWaalsContact O-N 3.13Å; F200-Y229 AromaticContact CE1-CD1 3.6Å; F200-Y229 HydrophobicContact CE1-CD1 3.6Å; F200-Y229 HydrophobicContact CE1-CE1 4.09Å; F200-Y229 HydrophobicContact CE2-CD1 4.45Å; F200-Y229 WeakPolarHBondContact CE2-O 3.49Å; F200-Y229 AromaticContact CZ-CD1 3.52Å; F200-Y229 HydrophobicContact CZ-CD1 3.52Å; F200-Y229 HydrophobicContact CZ-CE1 4.42Å; F200-Y229 HydrophobicContact CZ-CG 4.26Å; F200-L232 HydrophobicContact CZ-CB 4.14Å; F200-L232 HydrophobicContact CZ-CD1 4.36Å; F200-A233 HydrophobicContact CE2-CB 4.29Å; F200-V252 HydrophobicContact CD1-CG1 3.79Å; F200-V252 HydrophobicContact CD2-CG1 4.02Å; F200-V252 HydrophobicContact CE1-CG1 3.81Å; F200-V252 HydrophobicContact CE2-CG1 4.05Å; F200-V252 HydrophobicContact CE2-CG2 4.01Å; F200-V252 HydrophobicContact CG-CG1 3.88Å; F200-V252 HydrophobicContact CZ-CB 4.5Å; F200-V252 HydrophobicContact CZ-CG1 3.92Å; F200-V252 HydrophobicContact CZ-CG2 4.07Å; F200-M326 HydrophobicContact CD1-CE 4.31Å; F200-M326 HydrophobicContact CD2-CE 4.01Å; F200-M326 HydrophobicContact CE2-CE 4.26Å; F200-M326 HydrophobicContact CG-CE 4.06Å; F200-M326 HydrophobicContact CG-SD 4.38Å
201A73.2Confident67.6Low43 Ų4352.3 Ų52.336%0.35530%0.297SS..THydrogen-bonded Turntrans-72.5-40.2178.500000114T196 T197 R203 S204T196-A201 PolarHBondContact O-N 2.87Å; T196-A201 VanDerWaalsContact O-N 3.12Å; T197-A201 VanDerWaalsContact O-CB 3.28Å; T197-A201 WeakPolarHBondContact O-CB 3.27Å; A201-R203 PolarHBondContact O-N 3.46Å; A201-R203 VanDerWaalsContact O-N 3.17Å; A201-S204 PolarHBondContact O-N 2.89Å
202L57.7Low65.3Low101 Ų10154 Ų5453%0.52931%0.307SS..THydrogen-bonded Turntrans-67.5-19.9-170.1-84.6164.5000114.7S198 L376S198-L202 VanDerWaalsContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CB 3.32Å; S198-L202 WeakPolarHBondContact O-CD1 3.33Å; S198-L202 WeakPolarHBondContact O-CG 3.4Å; S198-L202 PolarHBondContact O-N 2.84Å; L202-L376 HydrophobicContact CD1-CD2 3.37Å
203R53.6Low63Low105 Ų10557.2 Ų57.240%0.39633%0.334SS..THydrogen-bonded Turntrans-113.77.1-172.9-71.3-69.9-168.3179.6-0.8113.5A201 W250A201-R203 PolarHBondContact O-N 3.46Å; A201-R203 VanDerWaalsContact O-N 3.17Å; R203-W250 VanDerWaalsContact NH2-CZ2 3.28Å
204S46.3Very low61Low10 Ų1059.8 Ų59.87%0.0735%0.345CS..  trans-166.4118.2-173.3111.60000111.1A201 L206 C207A201-S204 PolarHBondContact O-N 2.89Å; S204-L206 PolarHBondContact O-N 2.98Å; S204-L206 WeakPolarHBondContact OG-CB 3.41Å; S204-L206 PolarHBondContact OG-N 2.67Å; S204-C207 VanDerWaalsContact OG-CB 3.24Å; S204-C207 WeakPolarHBondContact OG-CB 3.49Å; S204-C207 PolarHBondContact OG-N 3.27Å
205S44Very low58.5Low111 Ų11167.8 Ų67.878%0.77638%0.379SS*.THydrogen-bonded Turntrans-66.210.2152.257.70000112
206L42.9Very low56.6Low84 Ų8474.5 Ų74.544%0.4442%0.415SS..THydrogen-bonded Turntrans-111.2-23-157.5-72.2170.4000110.9S204 T260S204-L206 PolarHBondContact O-N 2.98Å; S204-L206 WeakPolarHBondContact OG-CB 3.41Å; S204-L206 PolarHBondContact OG-N 2.67Å; L206-T260 HydrophobicContact CB-CG2 3.29Å; L206-T260 HydrophobicContact CD2-CG2 3.67Å; L206-T260 HydrophobicContact CG-CG2 4Å; L206-T260 WeakPolarHBondContact O-CG2 3.42Å
207C49Very low54.8Low21 Ų2181.5 Ų81.514%0.14245%0.451CS..  trans-103.521.9178.3-80.50000112.4S204 E209 C256S204-C207 VanDerWaalsContact OG-CB 3.24Å; S204-C207 WeakPolarHBondContact OG-CB 3.49Å; S204-C207 PolarHBondContact OG-N 3.27Å; C207-E209 PolarHBondContact O-N 3.42Å; C207-C256 HydrophobicContact CB-CB 4.4Å; C207-C256 WeakPolarHBondContact CB-SG 3.4Å; C207-C256 WeakPolarHBondContact SG-CA 3.45Å; C207-C256 WeakPolarHBondContact SG-CB 3.13Å; C207-C256 CovalentContact SG-SG 2.05Å; C207-C256 PolarHBondContact SG-SG 3.14Å
208N42.9Very low54.1Low138 Ų13880.2 Ų80.274%0.73844%0.443SS*.  trans-76.946.4178.5-101.87.4000112.7
209E44.9Very low53.7Low74 Ų7484.2 Ų84.235%0.34647%0.467SS..  trans-105.4109.8-178.5-66.7-165.2165.900111.5C207 D211 F264C207-E209 PolarHBondContact O-N 3.42Å; E209-D211 PolarHBondContact O-N 3.45Å; E209-F264 VanDerWaalsContact CD-CZ 3.41Å; E209-F264 VanDerWaalsContact OE1-CE1 3.24Å; E209-F264 WeakPolarHBondContact OE1-CE1 3.47Å; E209-F264 WeakPolarHBondContact OE1-CE2 3.24Å; E209-F264 WeakPolarHBondContact OE1-CZ 3.42Å; E209-F264 WeakPolarHBondContact OE2-CE1 3.37Å; E209-F264 VanDerWaalsContact OE2-CZ 3.22Å; E209-F264 WeakPolarHBondContact OE2-CZ 3.34Å
210S41.9Very low53.4Low102 Ų10288.9 Ų88.971%0.71349%0.489SS*.  trans-78.63.5170.8470000113.7
211D42.4Very low53.2Low133 Ų13391.3 Ų91.371%0.71150%0.502SS*.  trans-111.316.3-161.1-70.8-2.1000114.6E209 A213E209-D211 PolarHBondContact O-N 3.45Å; D211-A213 PolarHBondContact O-N 3.28Å
212L46.2Very low53.5Low49 Ų4990.1 Ų90.126%0.25749%0.49SS..  trans-73.760167-67.4173.1000111F214 I273L212-F214 HydrophobicContact CD2-CE2 4.39Å; L212-I273 HydrophobicContact CD2-CD1 3.56Å; L212-I273 HydrophobicContact CD2-CG1 4.32Å
213A43.9Very low54.5Low77 Ų7789.4 Ų89.464%0.63649%0.487SS*.  trans-97.697.5173.700000109.7D211 K215D211-A213 PolarHBondContact O-N 3.28Å; A213-K215 PolarHBondContact O-N 3.36Å
214F50.4Low55.9Low72 Ų7286.3 Ų86.332%0.31648%0.475SS..  trans-84.4111.5173.5-70.9-83.1000110.5L212 V218 V222 L225 I273L212-F214 HydrophobicContact CD2-CE2 4.39Å; F214-V218 HydrophobicContact CB-CG2 3.71Å; F214-V218 HydrophobicContact CD1-CG2 4.49Å; F214-V218 HydrophobicContact CG-CG2 4.33Å; F214-V222 HydrophobicContact CB-CG2 3.75Å; F214-V222 HydrophobicContact CD2-CG2 3.82Å; F214-V222 HydrophobicContact CG-CG2 3.98Å; F214-L225 HydrophobicContact CE2-CD1 3.78Å; F214-L225 HydrophobicContact CZ-CD1 3.94Å; F214-I273 HydrophobicContact CZ-CD1 4.12Å
215K42.2Very low57.8Low187 Ų18786.5 Ų86.581%0.81348%0.475SS*.  trans-87.6134167.4-71.8179.9178.1175.20109.9A213A213-K215 PolarHBondContact O-N 3.36Å
216N48.9Very low59.8Low142 Ų14282 Ų8276%0.75944%0.444SS*.SBendtrans92.3114170.4-53.4-31.1000117.3V218N216-V218 WeakPolarHBondContact O-CG1 3.48Å; N216-V218 WeakPolarHBondContact O-CG2 3.46Å; N216-V218 PolarHBondContact O-N 3.11Å
217N51.7Low61.8Low171 Ų17182.8 Ų82.891%0.91445%0.448SS*.SBendtrans35.835.1158-144.715.8000118.4
218V70.4Confident63.8Low50 Ų5082 Ų8230%0.30344%0.443SS..  trans-118.723.3-179.6-70.60000112.3F214 N216 Q220 L221 V222F214-V218 HydrophobicContact CB-CG2 3.71Å; F214-V218 HydrophobicContact CD1-CG2 4.49Å; F214-V218 HydrophobicContact CG-CG2 4.33Å; N216-V218 WeakPolarHBondContact O-CG1 3.48Å; N216-V218 WeakPolarHBondContact O-CG2 3.46Å; N216-V218 PolarHBondContact O-N 3.11Å; V218-Q220 PolarHBondContact O-N 3.3Å; V218-L221 HydrophobicContact CB-CB 4.23Å; V218-L221 WeakPolarHBondContact O-CA 3.38Å; V218-L221 WeakPolarHBondContact O-CB 3.19Å; V218-L221 PolarHBondContact O-N 3.39Å; V218-V222 HydrophobicContact CG2-CG2 3.95Å; V218-V222 PolarHBondContact O-N 2.89Å
219T73.5Confident66.1Low95 Ų9575.9 Ų75.958%0.58341%0.41SS*.Hα-helixtrans-50.2-38.7-177.9-510000112.7V222 N223T219-V222 PolarHBondContact O-N 3.3Å; T219-N223 WeakPolarHBondContact O-CB 3.31Å; T219-N223 PolarHBondContact O-N 3.21Å; T219-N223 PolarHBondContact O-ND2 2.99Å
220Q73.5Confident68.3Low98 Ų9872.9 Ų72.946%0.45840%0.397SS..Hα-helixtrans-62.8-42.9175.7174.3158.881.100112.7V218 W224 L292 Q293V218-Q220 PolarHBondContact O-N 3.3Å; Q220-W224 WeakPolarHBondContact O-CB 3.45Å; Q220-W224 PolarHBondContact O-N 2.83Å; Q220-L292 HydrophobicContact CG-CB 4.24Å; Q220-L292 HydrophobicContact CG-CD1 4.48Å; Q220-Q293 VanDerWaalsContact NE2-CG 3.35Å; Q220-Q293 VanDerWaalsContact OE1-NE2 3.1Å
221L77.8Confident70.7Confident55 Ų5569.1 Ų69.129%0.28837%0.37SS..Hα-helixtrans-68.1-43.3177.2177.364.2000111V218 W224 L225 L292V218-L221 HydrophobicContact CB-CB 4.23Å; V218-L221 WeakPolarHBondContact O-CA 3.38Å; V218-L221 WeakPolarHBondContact O-CB 3.19Å; V218-L221 PolarHBondContact O-N 3.39Å; L221-W224 HydrophobicContact CD1-CE3 3.99Å; L221-W224 HydrophobicContact CD1-CZ3 4.41Å; L221-W224 WeakPolarHBondContact O-CB 3.48Å; L221-W224 PolarHBondContact O-N 3.44Å; L221-L225 HydrophobicContact CD1-CD1 4.49Å; L221-L225 HydrophobicContact CD1-CG 4.32Å; L221-L225 HydrophobicContact CG-CD1 4.23Å; L221-L225 HydrophobicContact CG-CG 4.48Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L292 HydrophobicContact CB-CD1 4.39Å; L221-L292 HydrophobicContact CD1-CD1 4.3Å; L221-L292 HydrophobicContact CD1-CD2 3.76Å
222V79.2Confident73.1Confident17 Ų1762.8 Ų62.810%0.10334%0.336CS..Hα-helixtrans-63.2-44.6179.6175.20000111.4F214 V218 T219 L225 S226F214-V222 HydrophobicContact CB-CG2 3.75Å; F214-V222 HydrophobicContact CD2-CG2 3.82Å; F214-V222 HydrophobicContact CG-CG2 3.98Å; V218-V222 HydrophobicContact CG2-CG2 3.95Å; V218-V222 PolarHBondContact O-N 2.89Å; T219-V222 PolarHBondContact O-N 3.3Å; V222-L225 PolarHBondContact O-N 3.24Å; V222-S226 WeakPolarHBondContact O-CB 3.41Å; V222-S226 PolarHBondContact O-N 3.48Å; V222-S226 PolarHBondContact O-OG 2.89Å
223N79.1Confident75.4Confident87 Ų8760.5 Ų60.547%0.46532%0.324SS..Hα-helixtrans-62.3-45.2174.7-69.6-9000110.8T219 L225 S226 D227T219-N223 WeakPolarHBondContact O-CB 3.31Å; T219-N223 PolarHBondContact O-N 3.21Å; T219-N223 PolarHBondContact O-ND2 2.99Å; N223-L225 PolarHBondContact O-N 2.95Å; N223-S226 WeakPolarHBondContact O-CB 3.34Å; N223-S226 PolarHBondContact O-N 3.12Å; N223-S226 VanDerWaalsContact O-N 3.14Å; N223-D227 VanDerWaalsContact O-CG 3.29Å; N223-D227 PolarHBondContact O-N 2.94Å
224W83.3Confident77.9Confident40 Ų4058.2 Ų58.215%0.15230%0.3CS..Hα-helixtrans-60.5-41.7177.6179.386.1000112.9Q220 L221 D227 I228 V277 V281 N290 L292Q220-W224 WeakPolarHBondContact O-CB 3.45Å; Q220-W224 PolarHBondContact O-N 2.83Å; L221-W224 HydrophobicContact CD1-CE3 3.99Å; L221-W224 HydrophobicContact CD1-CZ3 4.41Å; L221-W224 WeakPolarHBondContact O-CB 3.48Å; L221-W224 PolarHBondContact O-N 3.44Å; W224-D227 PolarHBondContact O-N 3.45Å; W224-I228 HydrophobicContact CD2-CD1 3.62Å; W224-I228 HydrophobicContact CE3-CD1 3.71Å; W224-I228 HydrophobicContact CG-CD1 4.46Å; W224-I228 HydrophobicContact CH2-CD1 3.34Å; W224-I228 HydrophobicContact CZ2-CD1 3.25Å; W224-I228 HydrophobicContact CZ3-CD1 3.58Å; W224-I228 WeakPolarHBondContact O-CG1 3.46Å; W224-I228 PolarHBondContact O-N 2.93Å; W224-I228 VanDerWaalsContact O-N 3.11Å; W224-V277 HydrophobicContact CH2-CB 4.49Å; W224-V277 HydrophobicContact CH2-CG2 3.91Å; W224-V277 HydrophobicContact CZ3-CG2 4.06Å; W224-V281 HydrophobicContact CH2-CG2 4.45Å; W224-V281 HydrophobicContact CZ2-CG1 4Å; W224-V281 HydrophobicContact CZ2-CG2 4.49Å; W224-N290 HydrophobicContact CH2-CB 3.94Å; W224-N290 HydrophobicContact CZ2-CB 3.88Å; W224-L292 HydrophobicContact CB-CD2 4.25Å; W224-L292 HydrophobicContact CD2-CD2 3.46Å; W224-L292 VanDerWaalsContact CD2-CD2 3.46Å; W224-L292 HydrophobicContact CE3-CD2 3.68Å; W224-L292 HydrophobicContact CG-CD2 3.74Å; W224-L292 HydrophobicContact CZ2-CD2 4.33Å; W224-L292 HydrophobicContact CZ3-CD2 4.22Å
225L85.4Confident80Confident13 Ų1354.9 Ų54.97%0.06829%0.286CS..Hα-helixtrans-63.1-43.4173.7-71.2173.9000111.3F214 L221 V222 N223 D227 I228 Y229 I273 V277F214-L225 HydrophobicContact CE2-CD1 3.78Å; F214-L225 HydrophobicContact CZ-CD1 3.94Å; L221-L225 HydrophobicContact CD1-CD1 4.49Å; L221-L225 HydrophobicContact CD1-CG 4.32Å; L221-L225 HydrophobicContact CG-CD1 4.23Å; L221-L225 HydrophobicContact CG-CG 4.48Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 2.91Å; V222-L225 PolarHBondContact O-N 3.24Å; N223-L225 PolarHBondContact O-N 2.95Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-D227 PolarHBondContact O-N 3.36Å; L225-I228 PolarHBondContact O-N 2.57Å; L225-Y229 HydrophobicContact CB-CE2 4.49Å; L225-Y229 WeakPolarHBondContact O-CD2 3.22Å; L225-Y229 PolarHBondContact O-N 2.87Å; L225-I273 HydrophobicContact CD1-CG2 4.33Å; L225-I273 HydrophobicContact CD2-CG2 3.78Å; L225-V277 HydrophobicContact CD2-CG1 3.67Å
226S85.6Confident82.6Confident16 Ų1646 Ų4611%0.11225%0.247CC..Hα-helixtrans-61.9-42.1179.1-56.90000112V222 N223 I228 S230 F327V222-S226 WeakPolarHBondContact O-CB 3.41Å; V222-S226 PolarHBondContact O-N 3.48Å; V222-S226 PolarHBondContact O-OG 2.89Å; N223-S226 WeakPolarHBondContact O-CB 3.34Å; N223-S226 PolarHBondContact O-N 3.12Å; N223-S226 VanDerWaalsContact O-N 3.14Å; S226-I228 PolarHBondContact O-N 2.96Å; S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 2.93Å; S226-S230 PolarHBondContact O-OG 3.15Å; S226-F327 WeakPolarHBondContact OG-CD1 3.45Å
227D86.5Confident84.8Confident101 Ų10139.2 Ų39.254%0.5421%0.211SC..Hα-helixtrans-62.4-41.3175.4-69.8-16000111.4N223 W224 L225 T231N223-D227 VanDerWaalsContact O-CG 3.29Å; N223-D227 PolarHBondContact O-N 2.94Å; W224-D227 PolarHBondContact O-N 3.45Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-D227 PolarHBondContact O-N 3.36Å; D227-T231 WeakPolarHBondContact O-CB 3.29Å; D227-T231 PolarHBondContact O-N 3.16Å; D227-T231 PolarHBondContact O-OG1 3.16Å
228I89.9Confident87Confident6 Ų631.5 Ų31.53%0.03117%0.17CC..Hα-helixtrans-66.6-47.5179.4-71.3170.7000111.7W224 L225 S226 S230 T231 L232 V277 Y280 V281W224-I228 HydrophobicContact CD2-CD1 3.62Å; W224-I228 HydrophobicContact CE3-CD1 3.71Å; W224-I228 HydrophobicContact CG-CD1 4.46Å; W224-I228 HydrophobicContact CH2-CD1 3.34Å; W224-I228 HydrophobicContact CZ2-CD1 3.25Å; W224-I228 HydrophobicContact CZ3-CD1 3.58Å; W224-I228 WeakPolarHBondContact O-CG1 3.46Å; W224-I228 PolarHBondContact O-N 2.93Å; W224-I228 VanDerWaalsContact O-N 3.11Å; L225-I228 PolarHBondContact O-N 2.57Å; S226-I228 PolarHBondContact O-N 2.96Å; I228-S230 VanDerWaalsContact C-N 3.31Å; I228-S230 PolarHBondContact O-N 2.78Å; I228-T231 PolarHBondContact O-N 3.45Å; I228-T231 VanDerWaalsContact O-N 3.16Å; I228-L232 HydrophobicContact CG2-CD1 4.03Å; I228-L232 HydrophobicContact CG2-CG 4.38Å; I228-L232 WeakPolarHBondContact O-CB 3.32Å; I228-L232 WeakPolarHBondContact O-CG 3.24Å; I228-L232 PolarHBondContact O-N 3.3Å; I228-V277 HydrophobicContact CD1-CB 4.14Å; I228-V277 HydrophobicContact CD1-CG1 4.45Å; I228-V277 HydrophobicContact CG2-CB 3.98Å; I228-V277 HydrophobicContact CG2-CG1 4.01Å; I228-Y280 HydrophobicContact CG1-CD1 4.14Å; I228-Y280 HydrophobicContact CG2-CD1 4.08Å; I228-Y280 HydrophobicContact CG2-CG 4.36Å; I228-V281 HydrophobicContact CD1-CG1 3.54Å; I228-V281 HydrophobicContact CG1-CG1 4.14Å
229Y90.9Very high88.2Confident8 Ų829.7 Ų29.73%0.03116%0.158CC..Hα-helixtrans-62.9-41.1178.6-72.6-58.8000111.6F200 L225 T231 L232 A233 M326 F327F200-Y229 AromaticContact CE1-CD1 3.6Å; F200-Y229 HydrophobicContact CE1-CD1 3.6Å; F200-Y229 HydrophobicContact CE1-CE1 4.09Å; F200-Y229 HydrophobicContact CE2-CD1 4.45Å; F200-Y229 WeakPolarHBondContact CE2-O 3.49Å; F200-Y229 AromaticContact CZ-CD1 3.52Å; F200-Y229 HydrophobicContact CZ-CD1 3.52Å; F200-Y229 HydrophobicContact CZ-CE1 4.42Å; F200-Y229 HydrophobicContact CZ-CG 4.26Å; L225-Y229 HydrophobicContact CB-CE2 4.49Å; L225-Y229 WeakPolarHBondContact O-CD2 3.22Å; L225-Y229 PolarHBondContact O-N 2.87Å; Y229-T231 VanDerWaalsContact C-N 3.31Å; Y229-T231 PolarHBondContact O-N 3.28Å; Y229-L232 HydrophobicContact CD1-CD1 4.26Å; Y229-L232 PolarHBondContact O-N 2.84Å; Y229-A233 PolarHBondContact O-N 2.84Å; Y229-M326 HydrophobicContact CD1-CE 4.33Å; Y229-M326 HydrophobicContact CD2-CE 4.31Å; Y229-M326 HydrophobicContact CG-CE 3.88Å; Y229-F327 HydrophobicContact CD2-CE1 4.19Å
230S91.7Very high89.2Confident11 Ų1131.2 Ų31.28%0.07716%0.159CC..Hα-helixtrans-61.1-41.7173.3-58.80000111.7S226 I228 A233 M234S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 2.93Å; S226-S230 PolarHBondContact O-OG 3.15Å; I228-S230 VanDerWaalsContact C-N 3.31Å; I228-S230 PolarHBondContact O-N 2.78Å; S230-A233 WeakPolarHBondContact O-CB 3.21Å; S230-A233 PolarHBondContact O-N 3.49Å; S230-M234 WeakPolarHBondContact O-CG 3.23Å; S230-M234 PolarHBondContact O-N 2.91Å; S230-M234 VanDerWaalsContact O-N 3.11Å
231T92.6Very high90.1Very high24 Ų2427 Ų2715%0.14714%0.139CC..Hα-helixtrans-68-42.9178.6-54.70000111.9D227 I228 Y229 A233 M234 V235 L244 Y280D227-T231 WeakPolarHBondContact O-CB 3.29Å; D227-T231 PolarHBondContact O-N 3.16Å; D227-T231 PolarHBondContact O-OG1 3.16Å; I228-T231 PolarHBondContact O-N 3.45Å; I228-T231 VanDerWaalsContact O-N 3.16Å; Y229-T231 VanDerWaalsContact C-N 3.31Å; Y229-T231 PolarHBondContact O-N 3.28Å; T231-A233 PolarHBondContact O-N 2.99Å; T231-M234 HydrophobicContact CG2-CE 4.22Å; T231-M234 WeakPolarHBondContact O-CB 2.94Å; T231-M234 PolarHBondContact O-N 2.96Å; T231-V235 WeakPolarHBondContact O-CG2 3.36Å; T231-V235 PolarHBondContact O-N 3.12Å; T231-L244 HydrophobicContact CG2-CD1 3.7Å; T231-Y280 HydrophobicContact CG2-CD2 4.3Å; T231-Y280 HydrophobicContact CG2-CE1 4.08Å; T231-Y280 HydrophobicContact CG2-CE2 3.49Å; T231-Y280 VanDerWaalsContact CG2-CE2 3.49Å; T231-Y280 WeakPolarHBondContact CG2-OH 3.21Å
232L93.2Very high90.7Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-54.2-41.1172.8-82169.1000111.5F200 I228 Y229 N236 P251 V252 V279F200-L232 HydrophobicContact CZ-CB 4.14Å; F200-L232 HydrophobicContact CZ-CD1 4.36Å; I228-L232 HydrophobicContact CG2-CD1 4.03Å; I228-L232 HydrophobicContact CG2-CG 4.38Å; I228-L232 WeakPolarHBondContact O-CB 3.32Å; I228-L232 WeakPolarHBondContact O-CG 3.24Å; I228-L232 PolarHBondContact O-N 3.3Å; Y229-L232 HydrophobicContact CD1-CD1 4.26Å; Y229-L232 PolarHBondContact O-N 2.84Å; L232-N236 WeakPolarHBondContact O-CB 3.31Å; L232-N236 PolarHBondContact O-N 2.73Å; L232-P251 HydrophobicContact CD2-CB 3.77Å; L232-P251 HydrophobicContact CD2-CG 4.42Å; L232-V252 HydrophobicContact CB-CG2 4.17Å; L232-V252 WeakPolarHBondContact O-CG2 3.34Å; L232-V279 HydrophobicContact CD2-CG1 4.38Å
233A94.4Very high91.1Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-63.4-42.9174.700000112.5T195 A199 F200 Y229 S230 T231 N236 P378T195-A233 HydrophobicContact CG2-CB 4.11Å; A199-A233 HydrophobicContact CB-CB 3.35Å; F200-A233 HydrophobicContact CE2-CB 4.29Å; Y229-A233 PolarHBondContact O-N 2.84Å; S230-A233 WeakPolarHBondContact O-CB 3.21Å; S230-A233 PolarHBondContact O-N 3.49Å; T231-A233 PolarHBondContact O-N 2.99Å; A233-N236 WeakPolarHBondContact O-CB 3.3Å; A233-N236 PolarHBondContact O-N 3.31Å; A233-P378 HydrophobicContact CB-CG 3.62Å
234M95.4Very high91.4Very high29 Ų2930.5 Ų30.514%0.14316%0.155CC..Hα-helixtrans-65.1-37.9177.9-64.9-175-25.800113.1S230 T231 L244 W379 A400 H401S230-M234 WeakPolarHBondContact O-CG 3.23Å; S230-M234 PolarHBondContact O-N 2.91Å; S230-M234 VanDerWaalsContact O-N 3.11Å; T231-M234 HydrophobicContact CG2-CE 4.22Å; T231-M234 WeakPolarHBondContact O-CB 2.94Å; T231-M234 PolarHBondContact O-N 2.96Å; M234-L244 HydrophobicContact CE-CD1 3.75Å; M234-W379 PolarHBondContact SD-NE1 2.77Å; M234-A400 WeakPolarHBondContact O-CB 3.39Å; M234-H401 HydrophobicContact CB-CB 3.97Å; M234-H401 WeakPolarHBondContact O-CB 3.45Å; M234-H401 PolarHBondContact O-N 3.46Å
235V95.2Very high91.7Very high2 Ų231.5 Ų31.51%0.01216%0.163CC..THydrogen-bonded Turntrans-96.320.8-178.4-56.10000113.6T231 Y237 L244 V247 P251T231-V235 WeakPolarHBondContact O-CG2 3.36Å; T231-V235 PolarHBondContact O-N 3.12Å; V235-Y237 HydrophobicContact CB-CE2 4.31Å; V235-Y237 PolarHBondContact O-N 2.88Å; V235-L244 HydrophobicContact CG1-CB 4.46Å; V235-L244 HydrophobicContact CG1-CD1 3.91Å; V235-L244 HydrophobicContact CG1-CG 4.26Å; V235-V247 HydrophobicContact CB-CG2 4.47Å; V235-V247 HydrophobicContact CG2-CG1 4.37Å; V235-V247 HydrophobicContact CG2-CG2 3.99Å; V235-P251 HydrophobicContact CG2-CG 4.29Å; V235-P251 WeakPolarHBondContact O-CG 3.26Å
236N95.8Very high92Very high0 Ų033.4 Ų33.40%018%0.177CC..  trans-75.650.6-174.1-163.430.5000114.4L232 A233 W250 P251 V252 A400L232-N236 WeakPolarHBondContact O-CB 3.31Å; L232-N236 PolarHBondContact O-N 2.73Å; A233-N236 WeakPolarHBondContact O-CB 3.3Å; A233-N236 PolarHBondContact O-N 3.31Å; N236-W250 WeakPolarHBondContact O-CZ3 3.26Å; N236-P251 WeakPolarHBondContact OD1-CD 3.28Å; N236-V252 HydrophobicContact CB-CG2 3.88Å; N236-V252 VanDerWaalsContact CG-CG2 3.46Å; N236-V252 PolarHBondContact OD1-N 3.18Å; N236-A400 HydrophobicContact CB-CB 3.98Å
237Y96.4Very high92.4Very high1 Ų132.7 Ų32.70%0.00417%0.171CC..  trans-80.4156.8-178.5-53.5-58.4000112.4V235 Y239 N241 W250 A400 H401 Y403V235-Y237 HydrophobicContact CB-CE2 4.31Å; V235-Y237 PolarHBondContact O-N 2.88Å; Y237-Y239 PolarHBondContact O-N 2.77Å; Y237-Y239 VanDerWaalsContact O-N 3.07Å; Y237-N241 HydrophobicContact CD2-CB 4.34Å; Y237-W250 PolarHBondContact O-N 3.03Å; Y237-A400 HydrophobicContact CD1-CB 4.08Å; Y237-A400 HydrophobicContact CE1-CB 3.99Å; Y237-H401 VanDerWaalsContact CE1-O 3.31Å; Y237-H401 WeakPolarHBondContact CE1-O 3.32Å; Y237-H401 PolarHBondContact OH-O 3.42Å; Y237-Y403 AromaticContact CD1-CD2 3.67Å; Y237-Y403 HydrophobicContact CD1-CD2 3.67Å; Y237-Y403 HydrophobicContact CD1-CE2 4.4Å; Y237-Y403 AromaticContact CD1-CG 3.98Å; Y237-Y403 HydrophobicContact CD1-CG 3.98Å; Y237-Y403 HydrophobicContact CE1-CD2 4.18Å; Y237-Y403 HydrophobicContact CE1-CG 4.33Å
238P96.5Very high92.8Very high9 Ų928.9 Ų28.96%0.05815%0.152CC..SBendtrans-720.8-178.421.9-27.1000115.8W250 Y403 K411 T413P238-W250 HydrophobicContact CB-CD2 4.43Å; P238-W250 HydrophobicContact CB-CH2 4.36Å; P238-W250 HydrophobicContact CB-CZ2 3.55Å; P238-W250 HydrophobicContact CG-CZ2 4.28Å; P238-Y403 WeakPolarHBondContact CD-OH 3.12Å; P238-Y403 HydrophobicContact CG-CE1 4.22Å; P238-Y403 HydrophobicContact CG-CE2 4.27Å; P238-Y403 WeakPolarHBondContact CG-OH 3.4Å; P238-K411 WeakPolarHBondContact CG-O 3.29Å; P238-T413 HydrophobicContact CB-CG2 4.38Å; P238-T413 HydrophobicContact CG-CG2 4.02Å
239Y96.2Very high93.1Very high11 Ų1130 Ų304%0.04317%0.165CC..SBendtrans-142.1162.1-175.948.5-102.7000111.4Y237 N241 G249 Y403 R406 H409 K411 D412Y237-Y239 PolarHBondContact O-N 2.77Å; Y237-Y239 VanDerWaalsContact O-N 3.07Å; Y239-N241 PolarHBondContact O-ND2 3.26Å; Y239-G249 WeakPolarHBondContact O-CA 3.34Å; Y239-Y403 AromaticContact CE1-CE2 3.72Å; Y239-Y403 HydrophobicContact CE1-CE2 3.72Å; Y239-Y403 AromaticContact CZ-CE2 3.94Å; Y239-R406 VanDerWaalsContact OH-CB 3.26Å; Y239-R406 WeakPolarHBondContact OH-CB 3.32Å; Y239-R406 VanDerWaalsContact OH-CD 3.3Å; Y239-R406 WeakPolarHBondContact OH-CD 3.44Å; Y239-R406 PolarHBondContact OH-NE 2.81Å; Y239-H409 WeakPolarHBondContact CB-CE1 3.49Å; Y239-H409 HydrophobicContact CD1-CB 3.99Å; Y239-H409 AromaticContact CD1-CE1 3.83Å; Y239-H409 AromaticContact CD1-CG 3.59Å; Y239-H409 AromaticContact CD1-ND1 3.23Å; Y239-H409 WeakPolarHBondContact CD1-ND1 3.25Å; Y239-H409 HydrophobicContact CE1-CB 3.63Å; Y239-H409 AromaticContact CE1-CG 3.75Å; Y239-H409 AromaticContact CE1-ND1 3.83Å; Y239-H409 AromaticContact CG-CE1 3.67Å; Y239-H409 AromaticContact CG-CG 3.87Å; Y239-H409 AromaticContact CG-ND1 3.55Å; Y239-K411 HydrophobicContact CD1-CB 4.25Å; Y239-D412 WeakPolarHBondContact CE1-OD1 3.44Å
240E95Very high93.3Very high128 Ų12831.8 Ų31.860%0.59817%0.172SC*.  trans-61.3136.9177-170.8178.9157.800110.2V247 Y283E240-V247 VanDerWaalsContact CA-O 3.32Å; E240-V247 WeakPolarHBondContact CA-O 3.32Å; E240-V247 VanDerWaalsContact CG-O 3.31Å; E240-V247 WeakPolarHBondContact CG-O 3.25Å; E240-Y283 HydrophobicContact CG-CE1 4.22Å
241N91.6Very high93.5Very high8 Ų831.2 Ų31.24%0.04317%0.168CC..BIsolated β-bridgetrans-152.3161.2-178.869.1100.6000110.2Y237 Y239 P246 V247Y237-N241 HydrophobicContact CD2-CB 4.34Å; Y239-N241 PolarHBondContact O-ND2 3.26Å; N241-P246 CarbonylContact O-C 3.54Å; N241-P246 WeakPolarHBondContact O-CA 3.37Å; N241-V247 PolarHBondContact N-O 2.73Å; N241-V247 VanDerWaalsContact ND2-CG2 3.27Å; N241-V247 WeakPolarHBondContact ND2-CG2 3.48Å; N241-V247 PolarHBondContact O-N 2.85Å
242D91.3Very high93.5Very high112 Ų11230.1 Ų30.160%0.59916%0.161SC*.  trans-131.524.3-173.962.1-16000112.3L244 P246D242-L244 PolarHBondContact O-N 3.18Å; D242-P246 HydrophobicContact CB-CG 4.36Å
243F86.4Confident93.5Very high46 Ų4635.1 Ų35.120%0.20218%0.183CC..SBendtrans-60-49.5-173.6176.5-130.7000113N78 H402N78-F243 HydrophobicContact CB-CD2 3.84Å; N78-F243 HydrophobicContact CB-CE2 4.22Å; F243-H402 AromaticContact CE1-CE1 3.77Å; F243-H402 AromaticContact CE1-NE2 3.79Å
244L86.4Confident93.3Very high75 Ų7536.6 Ų36.639%0.39320%0.195SC..SBendtrans-106.3-41.7174.6-64.5179.6000111.8T231 M234 V235 D242T231-L244 HydrophobicContact CG2-CD1 3.7Å; M234-L244 HydrophobicContact CE-CD1 3.75Å; V235-L244 HydrophobicContact CG1-CB 4.46Å; V235-L244 HydrophobicContact CG1-CD1 3.91Å; V235-L244 HydrophobicContact CG1-CG 4.26Å; D242-L244 PolarHBondContact O-N 3.18Å
245N88.3Confident93.1Very high62 Ų6235.2 Ų35.233%0.33219%0.188SC..SBendtrans-153.5155170.6-85.7-33.5000108V247 Y280N245-V247 PolarHBondContact O-N 3.11Å; N245-Y280 HydrophobicContact CB-CD2 4.35Å; N245-Y280 HydrophobicContact CB-CE2 3.8Å; N245-Y280 WeakPolarHBondContact ND2-CE1 3.46Å; N245-Y280 VanDerWaalsContact ND2-CZ 3.3Å; N245-Y280 PolarHBondContact ND2-OH 3.48Å
246P92.6Very high92.8Very high53 Ų5335.2 Ų35.234%0.34419%0.188SC..  trans-57.1124.6169.8-23.634.4000111N241 D242 Y283 T284N241-P246 CarbonylContact O-C 3.54Å; N241-P246 WeakPolarHBondContact O-CA 3.37Å; D242-P246 HydrophobicContact CB-CG 4.36Å; P246-Y283 HydrophobicContact CB-CD1 4.06Å; P246-Y283 WeakPolarHBondContact O-CB 3.32Å; P246-Y283 WeakPolarHBondContact O-CD1 3.48Å; P246-T284 HydrophobicContact CB-CG2 3.94Å; P246-T284 HydrophobicContact CG-CG2 4.22Å
247V94.3Very high92.4Very high0 Ų038.7 Ų38.70%021%0.21CC..BIsolated β-bridgetrans-141.9150.9177-66.30000110.8V235 E240 N241 N245 P251 Y280V235-V247 HydrophobicContact CB-CG2 4.47Å; V235-V247 HydrophobicContact CG2-CG1 4.37Å; V235-V247 HydrophobicContact CG2-CG2 3.99Å; E240-V247 VanDerWaalsContact CA-O 3.32Å; E240-V247 WeakPolarHBondContact CA-O 3.32Å; E240-V247 VanDerWaalsContact CG-O 3.31Å; E240-V247 WeakPolarHBondContact CG-O 3.25Å; N241-V247 PolarHBondContact N-O 2.73Å; N241-V247 VanDerWaalsContact ND2-CG2 3.27Å; N241-V247 WeakPolarHBondContact ND2-CG2 3.48Å; N241-V247 PolarHBondContact O-N 2.85Å; N245-V247 PolarHBondContact O-N 3.11Å; V247-P251 HydrophobicContact CB-CB 4.06Å; V247-P251 HydrophobicContact CB-CG 4.44Å; V247-P251 HydrophobicContact CG2-CB 4.39Å; V247-P251 HydrophobicContact CG2-CG 4.22Å; V247-Y280 HydrophobicContact CG1-CD2 3.72Å; V247-Y280 HydrophobicContact CG1-CE2 4.39Å
248P95.3Very high91.8Very high22 Ų2240.3 Ų40.314%0.14322%0.219CC..  trans-69.6168.4176.631-34.3000111P251 A254 V279 Y283P248-P251 HydrophobicContact CG-CB 4.39Å; P248-P251 VanDerWaalsContact O-CD 3.25Å; P248-P251 WeakPolarHBondContact O-CD 3.37Å; P248-A254 HydrophobicContact CG-CB 4.08Å; P248-V279 HydrophobicContact CG-CG1 3.96Å; P248-Y283 HydrophobicContact CB-CD2 4.49Å; P248-Y283 HydrophobicContact CB-CE2 3.72Å; P248-Y283 HydrophobicContact CG-CD2 4.18Å; P248-Y283 HydrophobicContact CG-CE2 3.86Å
249G95.5Very high91Very high29 Ų2940.8 Ų40.830%0.29922%0.221SC..SBendtrans-62.6138.7166.100000111.9Y239Y239-G249 WeakPolarHBondContact O-CA 3.34Å
250W95.3Very high90.1Very high45 Ų4542.5 Ų42.517%0.1723%0.233CC..SBendtrans51.858.3-172.2-59.9111.7000113R203 N236 Y237 P238 V252 K253 A254 L376 D398 T413R203-W250 VanDerWaalsContact NH2-CZ2 3.28Å; N236-W250 WeakPolarHBondContact O-CZ3 3.26Å; Y237-W250 PolarHBondContact O-N 3.03Å; P238-W250 HydrophobicContact CB-CD2 4.43Å; P238-W250 HydrophobicContact CB-CH2 4.36Å; P238-W250 HydrophobicContact CB-CZ2 3.55Å; P238-W250 HydrophobicContact CG-CZ2 4.28Å; W250-V252 VanDerWaalsContact C-N 3.26Å; W250-V252 PolarHBondContact O-N 2.97Å; W250-K253 HydrophobicContact CB-CB 4Å; W250-K253 WeakPolarHBondContact O-CA 3.18Å; W250-K253 WeakPolarHBondContact O-CB 3.34Å; W250-K253 PolarHBondContact O-N 3.05Å; W250-A254 PolarHBondContact O-N 2.89Å; W250-A254 VanDerWaalsContact O-N 3.09Å; W250-L376 HydrophobicContact CZ3-CD1 3.93Å; W250-D398 HydrophobicContact CH2-CB 4.2Å; W250-T413 HydrophobicContact CZ2-CG2 4.3Å
251P94.9Very high89.1Confident0 Ų040.6 Ų40.60%023%0.234CC..Hα-helixtrans-62.8-28.4-173.428.6-36.8000113.5L232 V235 N236 V247 P248 A254 S255 V279L232-P251 HydrophobicContact CD2-CB 3.77Å; L232-P251 HydrophobicContact CD2-CG 4.42Å; V235-P251 HydrophobicContact CG2-CG 4.29Å; V235-P251 WeakPolarHBondContact O-CG 3.26Å; N236-P251 WeakPolarHBondContact OD1-CD 3.28Å; V247-P251 HydrophobicContact CB-CB 4.06Å; V247-P251 HydrophobicContact CB-CG 4.44Å; V247-P251 HydrophobicContact CG2-CB 4.39Å; V247-P251 HydrophobicContact CG2-CG 4.22Å; P248-P251 HydrophobicContact CG-CB 4.39Å; P248-P251 VanDerWaalsContact O-CD 3.25Å; P248-P251 WeakPolarHBondContact O-CD 3.37Å; P251-A254 PolarHBondContact O-N 3.37Å; P251-S255 WeakPolarHBondContact O-CB 3.42Å; P251-S255 PolarHBondContact O-N 3.02Å; P251-V279 HydrophobicContact CB-CG1 4.16Å
252V93.3Very high87.8Confident0 Ų041 Ų410%024%0.237CC..Hα-helixtrans-63.8-42.5172.11760000111.1A199 F200 L232 N236 W250 A254 S255 C256A199-V252 WeakPolarHBondContact O-CG1 3.26Å; F200-V252 HydrophobicContact CD1-CG1 3.79Å; F200-V252 HydrophobicContact CD2-CG1 4.02Å; F200-V252 HydrophobicContact CE1-CG1 3.81Å; F200-V252 HydrophobicContact CE2-CG1 4.05Å; F200-V252 HydrophobicContact CE2-CG2 4.01Å; F200-V252 HydrophobicContact CG-CG1 3.88Å; F200-V252 HydrophobicContact CZ-CB 4.5Å; F200-V252 HydrophobicContact CZ-CG1 3.92Å; F200-V252 HydrophobicContact CZ-CG2 4.07Å; L232-V252 HydrophobicContact CB-CG2 4.17Å; L232-V252 WeakPolarHBondContact O-CG2 3.34Å; N236-V252 HydrophobicContact CB-CG2 3.88Å; N236-V252 VanDerWaalsContact CG-CG2 3.46Å; N236-V252 PolarHBondContact OD1-N 3.18Å; W250-V252 VanDerWaalsContact C-N 3.26Å; W250-V252 PolarHBondContact O-N 2.97Å; V252-A254 VanDerWaalsContact C-N 3.34Å; V252-A254 PolarHBondContact O-N 3.25Å; V252-S255 PolarHBondContact O-N 3.07Å; V252-C256 PolarHBondContact O-N 3.47Å
253K92.4Very high86.5Confident106 Ų10639.6 Ų39.646%0.46124%0.235SC..Hα-helixtrans-62.8-43175.9-176.4-175.7176.5-175.90110.9W250 C256 T257W250-K253 HydrophobicContact CB-CB 4Å; W250-K253 WeakPolarHBondContact O-CA 3.18Å; W250-K253 WeakPolarHBondContact O-CB 3.34Å; W250-K253 PolarHBondContact O-N 3.05Å; K253-C256 PolarHBondContact O-N 3.43Å; K253-T257 WeakPolarHBondContact O-CB 3.23Å; K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 3.19Å
254A92.1Very high85.2Confident31 Ų3141.6 Ų41.626%0.25624%0.243SC..Hα-helixtrans-60.6-45.9176.300000111.5P248 W250 P251 V252 T257 V258 V279P248-A254 HydrophobicContact CG-CB 4.08Å; W250-A254 PolarHBondContact O-N 2.89Å; W250-A254 VanDerWaalsContact O-N 3.09Å; P251-A254 PolarHBondContact O-N 3.37Å; V252-A254 VanDerWaalsContact C-N 3.34Å; V252-A254 PolarHBondContact O-N 3.25Å; A254-T257 PolarHBondContact O-N 2.69Å; A254-V258 WeakPolarHBondContact O-CG2 3.38Å; A254-V258 PolarHBondContact O-N 2.85Å; A254-V279 HydrophobicContact CB-CG1 3.91Å; A254-V279 HydrophobicContact CB-CG2 4.36Å
255S91.2Very high83.8Confident0 Ų041.8 Ų41.80%025%0.248CC..Hα-helixtrans-60.2-49.1175.7-175.90000112.4P251 V252 T257 V258 L259 A276P251-S255 WeakPolarHBondContact O-CB 3.42Å; P251-S255 PolarHBondContact O-N 3.02Å; V252-S255 PolarHBondContact O-N 3.07Å; S255-T257 VanDerWaalsContact C-N 3.34Å; S255-T257 PolarHBondContact O-N 2.95Å; S255-V258 WeakPolarHBondContact O-CB 3.47Å; S255-V258 PolarHBondContact O-N 3.33Å; S255-L259 PolarHBondContact O-N 3.27Å; S255-A276 PolarHBondContact OG-O 2.92Å
256C88.5Confident82.3Confident2 Ų247 Ų471%0.01427%0.268CS..Hα-helixtrans-66-32.9179.7-79.20000113.5C207 V252 K253 V258 L259 T260C207-C256 HydrophobicContact CB-CB 4.4Å; C207-C256 WeakPolarHBondContact CB-SG 3.4Å; C207-C256 WeakPolarHBondContact SG-CA 3.45Å; C207-C256 WeakPolarHBondContact SG-CB 3.13Å; C207-C256 CovalentContact SG-SG 2.05Å; C207-C256 PolarHBondContact SG-SG 3.14Å; V252-C256 PolarHBondContact O-N 3.47Å; K253-C256 PolarHBondContact O-N 3.43Å; C256-V258 VanDerWaalsContact C-N 3.28Å; C256-V258 PolarHBondContact O-N 3.05Å; C256-L259 PolarHBondContact O-N 2.91Å; C256-T260 PolarHBondContact O-N 3.3Å; C256-T260 VanDerWaalsContact O-N 3.15Å; C256-T260 PolarHBondContact O-OG1 3.42Å
257T87.1Confident80.7Confident72 Ų7250.8 Ų50.844%0.44229%0.285SS..Hα-helixtrans-62.8-39.4176.1-57.50000110.9K253 A254 S255 T260 S261K253-T257 WeakPolarHBondContact O-CB 3.23Å; K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 3.19Å; A254-T257 PolarHBondContact O-N 2.69Å; S255-T257 VanDerWaalsContact C-N 3.34Å; S255-T257 PolarHBondContact O-N 2.95Å; T257-T260 PolarHBondContact O-OG1 2.97Å; T257-S261 WeakPolarHBondContact O-CB 3.23Å; T257-S261 PolarHBondContact O-N 2.83Å; T257-S261 PolarHBondContact O-OG 3.04Å; T257-S261 VanDerWaalsContact O-OG 3.07Å
258V83.9Confident79.2Confident35 Ų3556.6 Ų56.621%0.21231%0.308CS..Hα-helixtrans-66.4-45.5177170.80000111.6A254 S255 C256 T260 S261 S262 K275 A276A254-V258 WeakPolarHBondContact O-CG2 3.38Å; A254-V258 PolarHBondContact O-N 2.85Å; S255-V258 WeakPolarHBondContact O-CB 3.47Å; S255-V258 PolarHBondContact O-N 3.33Å; C256-V258 VanDerWaalsContact C-N 3.28Å; C256-V258 PolarHBondContact O-N 3.05Å; V258-T260 VanDerWaalsContact C-N 3.28Å; V258-T260 PolarHBondContact O-N 3.07Å; V258-S261 PolarHBondContact O-N 3Å; V258-S261 PolarHBondContact O-OG 3.31Å; V258-S261 VanDerWaalsContact O-OG 3.06Å; V258-S262 PolarHBondContact O-OG 3.34Å; V258-K275 HydrophobicContact CG1-CB 3.27Å; V258-K275 HydrophobicContact CG1-CD 4.16Å; V258-K275 HydrophobicContact CG1-CG 4.39Å; V258-A276 HydrophobicContact CG1-CB 4.41Å
259L79.9Confident77.9Confident19 Ų1959.1 Ų59.110%0.09932%0.318CS..Hα-helixtrans-57.2-42.5178.7-70.8172.3000111.5S255 C256 F264 A272 I273 A276S255-L259 PolarHBondContact O-N 3.27Å; C256-L259 PolarHBondContact O-N 2.91Å; L259-F264 WeakPolarHBondContact O-CE2 3.32Å; L259-A272 HydrophobicContact CD2-CB 4.35Å; L259-I273 HydrophobicContact CD2-CG1 4.34Å; L259-A276 HydrophobicContact CD1-CB 4.15Å; L259-A276 HydrophobicContact CD2-CB 3.56Å; L259-A276 HydrophobicContact CG-CB 3.58Å
260T76.8Confident76.8Confident47 Ų4761.8 Ų61.829%0.28833%0.332SS..Hα-helixtrans-88.9-16.4-175.148.70000116.7L206 C256 T257 V258 S262L206-T260 HydrophobicContact CB-CG2 3.29Å; L206-T260 HydrophobicContact CD2-CG2 3.67Å; L206-T260 HydrophobicContact CG-CG2 4Å; L206-T260 WeakPolarHBondContact O-CG2 3.42Å; C256-T260 PolarHBondContact O-N 3.3Å; C256-T260 VanDerWaalsContact O-N 3.15Å; C256-T260 PolarHBondContact O-OG1 3.42Å; T257-T260 PolarHBondContact O-OG1 2.97Å; V258-T260 VanDerWaalsContact C-N 3.28Å; V258-T260 PolarHBondContact O-N 3.07Å; T260-S262 PolarHBondContact O-N 2.97Å
261S73.8Confident76Confident89 Ų8963.9 Ų63.962%0.62234%0.343SS*.Hα-helixtrans-78-9.1172.3640000113.7T257 V258T257-S261 WeakPolarHBondContact O-CB 3.23Å; T257-S261 PolarHBondContact O-N 2.83Å; T257-S261 PolarHBondContact O-OG 3.04Å; T257-S261 VanDerWaalsContact O-OG 3.07Å; V258-S261 PolarHBondContact O-N 3Å; V258-S261 PolarHBondContact O-OG 3.31Å; V258-S261 VanDerWaalsContact O-OG 3.06Å
262S65.5Low75.3Confident15 Ų1564 Ų6411%0.10534%0.344CS..SBendtrans-94.5128.2-177.5-59.30000110.4V258 T260 F264V258-S262 PolarHBondContact O-OG 3.34Å; T260-S262 PolarHBondContact O-N 2.97Å; S262-F264 PolarHBondContact O-N 3.4Å; S262-F264 VanDerWaalsContact O-N 3.1Å
263P62.4Low74.9Confident84 Ų8465.1 Ų65.155%0.54535%0.35SS..  trans-64.5114.3175.124-30.5000109.7T265 Y268P263-T265 VanDerWaalsContact C-N 3.29Å; P263-T265 PolarHBondContact O-N 3.12Å; P263-Y268 VanDerWaalsContact O-CB 3.3Å; P263-Y268 WeakPolarHBondContact O-CB 3.37Å
264F59.6Low74.5Confident88 Ų8864.5 Ų64.539%0.38635%0.345SS..  trans-66.185.9177.6-82.5-93.7000110.7E209 L259 S262 E269E209-F264 VanDerWaalsContact CD-CZ 3.41Å; E209-F264 VanDerWaalsContact OE1-CE1 3.24Å; E209-F264 WeakPolarHBondContact OE1-CE1 3.47Å; E209-F264 WeakPolarHBondContact OE1-CE2 3.24Å; E209-F264 WeakPolarHBondContact OE1-CZ 3.42Å; E209-F264 WeakPolarHBondContact OE2-CE1 3.37Å; E209-F264 VanDerWaalsContact OE2-CZ 3.22Å; E209-F264 WeakPolarHBondContact OE2-CZ 3.34Å; L259-F264 WeakPolarHBondContact O-CE2 3.32Å; S262-F264 PolarHBondContact O-N 3.4Å; S262-F264 VanDerWaalsContact O-N 3.1Å; F264-E269 HydrophobicContact CD1-CG 3.67Å; F264-E269 HydrophobicContact CE1-CG 4.12Å
265T57.4Low74.2Confident79 Ų7967.5 Ų67.549%0.48535%0.352SS..SBendtrans-123.5146.2159510000106.2P263 N267 Y268 E269P263-T265 VanDerWaalsContact C-N 3.29Å; P263-T265 PolarHBondContact O-N 3.12Å; T265-N267 PolarHBondContact O-N 2.58Å; T265-Y268 WeakPolarHBondContact O-CA 3.36Å; T265-Y268 WeakPolarHBondContact O-CB 3.42Å; T265-Y268 PolarHBondContact O-N 3.28Å; T265-Y268 WeakPolarHBondContact OG1-CD2 3.48Å; T265-Y268 WeakPolarHBondContact OG1-CE2 3.45Å; T265-E269 PolarHBondContact O-N 3.47Å
266F56Low74.1Confident172 Ų17267.5 Ų67.575%0.75435%0.352SS*.Hα-helixtrans-45.2-36.1-167.3-172.7-100.9000115.5Y268F266-Y268 VanDerWaalsContact C-N 3.29Å; F266-Y268 PolarHBondContact O-N 3.02Å
267N58.5Low74.1Confident131 Ų13167.4 Ų67.470%0.70135%0.352SS*.Hα-helixtrans-71.5-19.6178.6-70.7-13.7000114.3T265T265-N267 PolarHBondContact O-N 2.58Å
268Y63.6Low74.2Confident122 Ų12264.9 Ų64.948%0.47834%0.337SS..Hα-helixtrans-100.1-18.6-175.2-67.6-95.6000113.2P263 T265 F266 H271 A272P263-Y268 VanDerWaalsContact O-CB 3.3Å; P263-Y268 WeakPolarHBondContact O-CB 3.37Å; T265-Y268 WeakPolarHBondContact O-CA 3.36Å; T265-Y268 WeakPolarHBondContact O-CB 3.42Å; T265-Y268 PolarHBondContact O-N 3.28Å; T265-Y268 WeakPolarHBondContact OG1-CD2 3.48Å; T265-Y268 WeakPolarHBondContact OG1-CE2 3.45Å; F266-Y268 VanDerWaalsContact C-N 3.29Å; F266-Y268 PolarHBondContact O-N 3.02Å; Y268-H271 PolarHBondContact O-N 2.89Å; Y268-A272 WeakPolarHBondContact O-CB 3.38Å; Y268-A272 PolarHBondContact O-N 3.19Å
269E69.2Low74.5Confident76 Ų7664 Ų6436%0.35533%0.332SS..Hα-helixtrans-61.4-50179.1-73.2172.3-165.100111.9F264 T265 H271 A272 I273F264-E269 HydrophobicContact CD1-CG 3.67Å; F264-E269 HydrophobicContact CE1-CG 4.12Å; T265-E269 PolarHBondContact O-N 3.47Å; E269-H271 VanDerWaalsContact C-N 3.26Å; E269-H271 PolarHBondContact O-N 2.93Å; E269-A272 PolarHBondContact O-N 3.2Å; E269-I273 WeakPolarHBondContact O-CG1 3.17Å; E269-I273 PolarHBondContact O-N 3.13Å
270S71.9Confident75Confident84 Ų8464.5 Ų64.559%0.58733%0.332SS*.Hα-helixtrans-60.6-36.8177.9620000112.4Y274S270-Y274 VanDerWaalsContact O-CB 3.28Å; S270-Y274 WeakPolarHBondContact O-CB 3.38Å; S270-Y274 PolarHBondContact O-N 3.42Å
271H77.3Confident75.5Confident90 Ų9064 Ų6442%0.41733%0.329SS..Hα-helixtrans-71.1-38.6176.5-170.258.6000112.4Y268 E269 Y274 K275Y268-H271 PolarHBondContact O-N 2.89Å; E269-H271 VanDerWaalsContact C-N 3.26Å; E269-H271 PolarHBondContact O-N 2.93Å; H271-Y274 PolarHBondContact O-N 2.87Å; H271-K275 WeakPolarHBondContact NE2-CE 3.4Å; H271-K275 PolarHBondContact NE2-NZ 2.94Å; H271-K275 WeakPolarHBondContact O-CB 3.24Å; H271-K275 WeakPolarHBondContact O-CG 2.99Å; H271-K275 PolarHBondContact O-N 2.62Å
272A81.9Confident76.3Confident1 Ų161 Ų611%0.00831%0.306CS..Hα-helixtrans-63.7-47.8175.100000110.7L259 Y268 E269 Y274 K275 A276L259-A272 HydrophobicContact CD2-CB 4.35Å; Y268-A272 WeakPolarHBondContact O-CB 3.38Å; Y268-A272 PolarHBondContact O-N 3.19Å; E269-A272 PolarHBondContact O-N 3.2Å; A272-Y274 PolarHBondContact O-N 2.91Å; A272-K275 PolarHBondContact O-N 3.35Å; A272-A276 VanDerWaalsContact O-CB 3.29Å; A272-A276 WeakPolarHBondContact O-CB 3.41Å; A272-A276 PolarHBondContact O-N 2.84Å
273I83.3Confident77.4Confident25 Ų2564.6 Ų64.613%0.12832%0.318CS..Hα-helixtrans-58.9-48.2174.5-66.2168.1000110.1L212 F214 L225 L259 E269 K275 A276 V277L212-I273 HydrophobicContact CD2-CD1 3.56Å; L212-I273 HydrophobicContact CD2-CG1 4.32Å; F214-I273 HydrophobicContact CZ-CD1 4.12Å; L225-I273 HydrophobicContact CD1-CG2 4.33Å; L225-I273 HydrophobicContact CD2-CG2 3.78Å; L259-I273 HydrophobicContact CD2-CG1 4.34Å; E269-I273 WeakPolarHBondContact O-CG1 3.17Å; E269-I273 PolarHBondContact O-N 3.13Å; I273-K275 VanDerWaalsContact C-N 3.34Å; I273-K275 PolarHBondContact O-N 3.47Å; I273-A276 WeakPolarHBondContact O-CB 3.3Å; I273-A276 PolarHBondContact O-N 3.38Å; I273-V277 HydrophobicContact CG2-CG1 4.48Å; I273-V277 WeakPolarHBondContact O-CG2 3.33Å; I273-V277 PolarHBondContact O-N 3.09Å
274Y84.1Confident78.7Confident93 Ų9365.1 Ų65.137%0.36532%0.32SS..Hα-helixtrans-55.7-46.9177.2169.5-99.3000112.2S270 H271 A272 V277 S278 N290S270-Y274 VanDerWaalsContact O-CB 3.28Å; S270-Y274 WeakPolarHBondContact O-CB 3.38Å; S270-Y274 PolarHBondContact O-N 3.42Å; H271-Y274 PolarHBondContact O-N 2.87Å; A272-Y274 PolarHBondContact O-N 2.91Å; Y274-V277 VanDerWaalsContact O-CG2 3.25Å; Y274-V277 WeakPolarHBondContact O-CG2 3.02Å; Y274-S278 WeakPolarHBondContact O-CB 3.42Å; Y274-S278 PolarHBondContact O-N 2.77Å; Y274-S278 PolarHBondContact O-OG 2.98Å; Y274-N290 VanDerWaalsContact CE2-ND2 3.31Å; Y274-N290 WeakPolarHBondContact CE2-ND2 3.47Å
275K86.4Confident80Confident93 Ų9363.6 Ų63.640%0.40433%0.329SS..Hα-helixtrans-67.4-38177.9-72.9175.8166.7174.50112.1V258 H271 A272 I273 S278 V279V258-K275 HydrophobicContact CG1-CB 3.27Å; V258-K275 HydrophobicContact CG1-CD 4.16Å; V258-K275 HydrophobicContact CG1-CG 4.39Å; H271-K275 WeakPolarHBondContact NE2-CE 3.4Å; H271-K275 PolarHBondContact NE2-NZ 2.94Å; H271-K275 WeakPolarHBondContact O-CB 3.24Å; H271-K275 WeakPolarHBondContact O-CG 2.99Å; H271-K275 PolarHBondContact O-N 2.62Å; A272-K275 PolarHBondContact O-N 3.35Å; I273-K275 VanDerWaalsContact C-N 3.34Å; I273-K275 PolarHBondContact O-N 3.47Å; K275-S278 WeakPolarHBondContact O-CB 3.28Å; K275-S278 PolarHBondContact O-N 2.98Å; K275-V279 PolarHBondContact O-N 3.26Å
276A88.2Confident81.2Confident0 Ų063.8 Ų63.80%034%0.338CS..Hα-helixtrans-63.3-48.8179.400000111.1S255 V258 L259 A272 I273 S278 V279S255-A276 PolarHBondContact OG-O 2.92Å; V258-A276 HydrophobicContact CG1-CB 4.41Å; L259-A276 HydrophobicContact CD1-CB 4.15Å; L259-A276 HydrophobicContact CD2-CB 3.56Å; L259-A276 HydrophobicContact CG-CB 3.58Å; A272-A276 VanDerWaalsContact O-CB 3.29Å; A272-A276 WeakPolarHBondContact O-CB 3.41Å; A272-A276 PolarHBondContact O-N 2.84Å; I273-A276 WeakPolarHBondContact O-CB 3.3Å; I273-A276 PolarHBondContact O-N 3.38Å; A276-S278 VanDerWaalsContact C-N 3.26Å; A276-S278 PolarHBondContact O-N 2.9Å; A276-V279 VanDerWaalsContact O-CB 3.29Å; A276-V279 WeakPolarHBondContact O-CB 3.43Å; A276-V279 WeakPolarHBondContact O-CG2 3.18Å; A276-V279 PolarHBondContact O-N 2.95Å
277V88.4Confident82.3Confident1 Ų158.7 Ų58.71%0.00632%0.321CS..Hα-helixtrans-67.8-28.1175.9-58.90000112.6W224 L225 I228 I273 Y274 V279 Y280 V281W224-V277 HydrophobicContact CH2-CB 4.49Å; W224-V277 HydrophobicContact CH2-CG2 3.91Å; W224-V277 HydrophobicContact CZ3-CG2 4.06Å; L225-V277 HydrophobicContact CD2-CG1 3.67Å; I228-V277 HydrophobicContact CD1-CB 4.14Å; I228-V277 HydrophobicContact CD1-CG1 4.45Å; I228-V277 HydrophobicContact CG2-CB 3.98Å; I228-V277 HydrophobicContact CG2-CG1 4.01Å; I273-V277 HydrophobicContact CG2-CG1 4.48Å; I273-V277 WeakPolarHBondContact O-CG2 3.33Å; I273-V277 PolarHBondContact O-N 3.09Å; Y274-V277 VanDerWaalsContact O-CG2 3.25Å; Y274-V277 WeakPolarHBondContact O-CG2 3.02Å; V277-V279 PolarHBondContact O-N 2.96Å; V277-Y280 PolarHBondContact O-N 2.9Å; V277-V281 WeakPolarHBondContact O-CG2 3.49Å; V277-V281 PolarHBondContact O-N 2.7Å
278S89.8Confident83.2Confident18 Ų1858.1 Ų58.113%0.12633%0.328CS..Hα-helixtrans-62.3-20.5176-64.50000113.2Y274 K275 A276 Y280 N282 Y283Y274-S278 WeakPolarHBondContact O-CB 3.42Å; Y274-S278 PolarHBondContact O-N 2.77Å; Y274-S278 PolarHBondContact O-OG 2.98Å; K275-S278 WeakPolarHBondContact O-CB 3.28Å; K275-S278 PolarHBondContact O-N 2.98Å; A276-S278 VanDerWaalsContact C-N 3.26Å; A276-S278 PolarHBondContact O-N 2.9Å; S278-Y280 PolarHBondContact O-N 3.4Å; S278-N282 CarbonylContact O-C 3.08Å; S278-N282 WeakPolarHBondContact O-CA 3.25Å; S278-N282 PolarHBondContact O-N 3.5Å; S278-Y283 PolarHBondContact O-N 3.32Å; S278-Y283 VanDerWaalsContact O-N 3.09Å
279V90.9Very high84Confident17 Ų1755.9 Ų55.910%0.10333%0.329CS..Hα-helixtrans-57.8-29.4169176.10000111.7L232 P248 P251 A254 K275 A276 V277L232-V279 HydrophobicContact CD2-CG1 4.38Å; P248-V279 HydrophobicContact CG-CG1 3.96Å; P251-V279 HydrophobicContact CB-CG1 4.16Å; A254-V279 HydrophobicContact CB-CG1 3.91Å; A254-V279 HydrophobicContact CB-CG2 4.36Å; K275-V279 PolarHBondContact O-N 3.26Å; A276-V279 VanDerWaalsContact O-CB 3.29Å; A276-V279 WeakPolarHBondContact O-CB 3.43Å; A276-V279 WeakPolarHBondContact O-CG2 3.18Å; A276-V279 PolarHBondContact O-N 2.95Å; V277-V279 PolarHBondContact O-N 2.96Å
280Y91Very high84.3Confident30 Ų3054 Ų5412%0.11832%0.321CS..Hα-helixtrans-97.8-49.9175.4-179.2-109.9000112.8I228 T231 N245 V247 V277 S278I228-Y280 HydrophobicContact CG1-CD1 4.14Å; I228-Y280 HydrophobicContact CG2-CD1 4.08Å; I228-Y280 HydrophobicContact CG2-CG 4.36Å; T231-Y280 HydrophobicContact CG2-CD2 4.3Å; T231-Y280 HydrophobicContact CG2-CE1 4.08Å; T231-Y280 HydrophobicContact CG2-CE2 3.49Å; T231-Y280 VanDerWaalsContact CG2-CE2 3.49Å; T231-Y280 WeakPolarHBondContact CG2-OH 3.21Å; N245-Y280 HydrophobicContact CB-CD2 4.35Å; N245-Y280 HydrophobicContact CB-CE2 3.8Å; N245-Y280 WeakPolarHBondContact ND2-CE1 3.46Å; N245-Y280 VanDerWaalsContact ND2-CZ 3.3Å; N245-Y280 PolarHBondContact ND2-OH 3.48Å; V247-Y280 HydrophobicContact CG1-CD2 3.72Å; V247-Y280 HydrophobicContact CG1-CE2 4.39Å; V277-Y280 PolarHBondContact O-N 2.9Å; S278-Y280 PolarHBondContact O-N 3.4Å
281V87.2Confident84.3Confident35 Ų3557.5 Ų57.521%0.21232%0.322CS..Hα-helixtrans-86.1-15-169.1-60.40000114.4W224 I228 V277 N290W224-V281 HydrophobicContact CH2-CG2 4.45Å; W224-V281 HydrophobicContact CZ2-CG1 4Å; W224-V281 HydrophobicContact CZ2-CG2 4.49Å; I228-V281 HydrophobicContact CD1-CG1 3.54Å; I228-V281 HydrophobicContact CG1-CG1 4.14Å; V277-V281 WeakPolarHBondContact O-CG2 3.49Å; V277-V281 PolarHBondContact O-N 2.7Å; V281-N290 HydrophobicContact CG2-CB 4.47Å; V281-N290 VanDerWaalsContact CG2-CG 3.42Å; V281-N290 WeakPolarHBondContact CG2-ND2 3.37Å; V281-N290 WeakPolarHBondContact CG2-OD1 3.49Å
282N89.5Confident83.9Confident27 Ų2756.5 Ų56.514%0.14432%0.319CS..SBendtrans-150.137.5-176.5-162.219.8000112.8S278 T284 G285 A286 V287S278-N282 CarbonylContact O-C 3.08Å; S278-N282 WeakPolarHBondContact O-CA 3.25Å; S278-N282 PolarHBondContact O-N 3.5Å; N282-T284 PolarHBondContact O-N 3.23Å; N282-G285 PolarHBondContact O-N 3.06Å; N282-G285 WeakPolarHBondContact OD1-CA 3.36Å; N282-G285 PolarHBondContact OD1-N 3.15Å; N282-A286 PolarHBondContact OD1-N 3.22Å; N282-V287 HydrophobicContact CB-CG2 3.67Å; N282-V287 PolarHBondContact ND2-O 2.81Å; N282-V287 WeakPolarHBondContact OD1-CG2 2.92Å; N282-V287 PolarHBondContact OD1-N 3.31Å; N282-V287 VanDerWaalsContact OD1-N 3.07Å; N282-V287 PolarHBondContact OD1-O 2.86Å
283Y89.7Confident83.1Confident91 Ų9162.1 Ų62.136%0.35735%0.345SS..THydrogen-bonded Turntrans-55.4-38.8-179175.2-128.3000112.7E240 P246 P248 S278 G285E240-Y283 HydrophobicContact CG-CE1 4.22Å; P246-Y283 HydrophobicContact CB-CD1 4.06Å; P246-Y283 WeakPolarHBondContact O-CB 3.32Å; P246-Y283 WeakPolarHBondContact O-CD1 3.48Å; P248-Y283 HydrophobicContact CB-CD2 4.49Å; P248-Y283 HydrophobicContact CB-CE2 3.72Å; P248-Y283 HydrophobicContact CG-CD2 4.18Å; P248-Y283 HydrophobicContact CG-CE2 3.86Å; S278-Y283 PolarHBondContact O-N 3.32Å; S278-Y283 VanDerWaalsContact O-N 3.09Å; Y283-G285 VanDerWaalsContact C-N 3.34Å
284T89Confident81.8Confident95 Ų9564.5 Ų64.558%0.58336%0.361SS*.THydrogen-bonded Turntrans-81.5-9.9-179.360.30000113.9P246 N282 A286P246-T284 HydrophobicContact CB-CG2 3.94Å; P246-T284 HydrophobicContact CG-CG2 4.22Å; N282-T284 PolarHBondContact O-N 3.23Å; T284-A286 PolarHBondContact O-N 2.98Å; T284-A286 WeakPolarHBondContact OG1-CB 3.42Å; T284-A286 PolarHBondContact OG1-N 3.27Å
285G87.1Confident80.2Confident55 Ų5566.8 Ų66.857%0.56737%0.373SS*.SBendtrans70.79-172.400000114.7N282 Y283 V287N282-G285 PolarHBondContact O-N 3.06Å; N282-G285 WeakPolarHBondContact OD1-CA 3.36Å; N282-G285 PolarHBondContact OD1-N 3.15Å; Y283-G285 VanDerWaalsContact C-N 3.34Å; G285-V287 VanDerWaalsContact C-N 3.34Å; G285-V287 PolarHBondContact O-N 2.82Å
286A82.7Confident78.2Confident84 Ų8468.8 Ų68.869%0.69439%0.393SS*.  trans-74.9-18.2-173.700000114.3N282 T284N282-A286 PolarHBondContact OD1-N 3.22Å; T284-A286 PolarHBondContact O-N 2.98Å; T284-A286 WeakPolarHBondContact OG1-CB 3.42Å; T284-A286 PolarHBondContact OG1-N 3.27Å
287V79.8Confident76.4Confident65 Ų6572.6 Ų72.639%0.39443%0.432SS..  trans-104.7136.4177.9-62.10000111.5N282 G285N282-V287 HydrophobicContact CB-CG2 3.67Å; N282-V287 PolarHBondContact ND2-O 2.81Å; N282-V287 WeakPolarHBondContact OD1-CG2 2.92Å; N282-V287 PolarHBondContact OD1-N 3.31Å; N282-V287 VanDerWaalsContact OD1-N 3.07Å; N282-V287 PolarHBondContact OD1-O 2.86Å; G285-V287 VanDerWaalsContact C-N 3.34Å; G285-V287 PolarHBondContact O-N 2.82Å
288S76.5Confident74.8Confident119 Ų11974.9 Ų74.983%0.83245%0.448SS*.SBendtrans-80.9-21.2178.761.20000113.4
289C79.4Confident73.4Confident75 Ų7579.3 Ų79.351%0.50747%0.474SS..SBendtrans-155.6152.417862.80000112
290N75.7Confident72Confident37 Ų3781.7 Ų81.720%0.19849%0.489CS..  trans-84.9123.5178.1-64.2-23.8000110.3W224 Y274 V281W224-N290 HydrophobicContact CH2-CB 3.94Å; W224-N290 HydrophobicContact CZ2-CB 3.88Å; Y274-N290 VanDerWaalsContact CE2-ND2 3.31Å; Y274-N290 WeakPolarHBondContact CE2-ND2 3.47Å; V281-N290 HydrophobicContact CG2-CB 4.47Å; V281-N290 VanDerWaalsContact CG2-CG 3.42Å; V281-N290 WeakPolarHBondContact CG2-ND2 3.37Å; V281-N290 WeakPolarHBondContact CG2-OD1 3.49Å
291R71.8Confident71Confident156 Ų15682 Ų8259%0.58949%0.492SS*.  trans-90.3123.8173.9-63.3-175.6-179.3-139.5-3.5109.6Q293R291-Q293 PolarHBondContact O-N 3.47Å
292L69.9Low70.6Confident69 Ų6981.7 Ų81.736%0.36149%0.494SS..SBendtrans-72.3-17.8176.5-57.4-178.2000113Q220 L221 W224Q220-L292 HydrophobicContact CG-CB 4.24Å; Q220-L292 HydrophobicContact CG-CD1 4.48Å; L221-L292 HydrophobicContact CB-CD1 4.39Å; L221-L292 HydrophobicContact CD1-CD1 4.3Å; L221-L292 HydrophobicContact CD1-CD2 3.76Å; W224-L292 HydrophobicContact CB-CD2 4.25Å; W224-L292 HydrophobicContact CD2-CD2 3.46Å; W224-L292 VanDerWaalsContact CD2-CD2 3.46Å; W224-L292 HydrophobicContact CE3-CD2 3.68Å; W224-L292 HydrophobicContact CG-CD2 3.74Å; W224-L292 HydrophobicContact CZ2-CD2 4.33Å; W224-L292 HydrophobicContact CZ3-CD2 4.22Å
293Q64.8Low70.3Confident120 Ų12083 Ų8356%0.56150%0.499SS*.SBendtrans-124.4142.7176.9-62-176.923.100110.4Q220 R291Q220-Q293 VanDerWaalsContact NE2-CG 3.35Å; Q220-Q293 VanDerWaalsContact OE1-NE2 3.1Å; R291-Q293 PolarHBondContact O-N 3.47Å
294T55.8Low70.2Confident74 Ų7483.7 Ų83.745%0.45450%0.504SS..PPolyproline II helixtrans-69144.1169.743.60000110.8T296 K304T294-T296 PolarHBondContact O-N 3.43Å; T294-K304 PolarHBondContact OG1-NZ 2.85Å
295K49.9Very low70.2Confident142 Ų14281.1 Ų81.162%0.61749%0.487SS*.PPolyproline II helixtrans-60.1123.6174-77.2-177.4177.8178.30108.7
296T46.4Very low70.6Confident135 Ų13579.1 Ų79.183%0.82846%0.462SS*.THydrogen-bonded Turntrans-66.5139.2175.443.50000112.3T294 D301T294-T296 PolarHBondContact O-N 3.43Å; T296-D301 VanDerWaalsContact CA-OD2 3.28Å; T296-D301 WeakPolarHBondContact CA-OD2 3.27Å
297G48.4Very low71.1Confident80 Ų8076.9 Ų76.983%0.82544%0.444SS*.THydrogen-bonded Turntrans1016.2174.600000116.6D301G297-D301 PolarHBondContact N-OD2 3.41Å
298S56.2Low71.7Confident49 Ų4977.6 Ų77.634%0.34344%0.44SS..SBendtrans-86.5163.917865.80000113.2V300 D301 A302S298-V300 PolarHBondContact O-N 2.88Å; S298-D301 PolarHBondContact N-OD2 2.96Å; S298-D301 WeakPolarHBondContact O-CB 3.36Å; S298-D301 PolarHBondContact O-N 2.98Å; S298-D301 PolarHBondContact OG-N 3.29Å; S298-D301 PolarHBondContact OG-OD2 3.42Å; S298-A302 PolarHBondContact O-N 3.41Å
299T59Low72.6Confident110 Ų11072.4 Ų72.468%0.67540%0.403SS*.Hα-helixtrans-57.3-32.8170.746.90000112.2D301 A302 Q303T299-D301 VanDerWaalsContact C-N 3.26Å; T299-D301 PolarHBondContact O-N 2.04Å; T299-A302 PolarHBondContact O-N 3.13Å; T299-Q303 PolarHBondContact O-N 3.22Å; T299-Q303 VanDerWaalsContact O-N 3.15Å
300V62.6Low73.4Confident68 Ų6869.1 Ų69.141%0.41238%0.38SS..Hα-helixtrans-60.7-36.3173.1177.60000111S298 Q303 K304S298-V300 PolarHBondContact O-N 2.88Å; V300-Q303 PolarHBondContact O-N 2.86Å; V300-K304 HydrophobicContact CG1-CD 4.18Å; V300-K304 HydrophobicContact CG1-CG 4.45Å; V300-K304 WeakPolarHBondContact O-CB 3.36Å; V300-K304 VanDerWaalsContact O-CG 3.29Å; V300-K304 WeakPolarHBondContact O-CG 3.17Å; V300-K304 PolarHBondContact O-N 3.5Å
301D70.5Confident74.3Confident35 Ų3568.8 Ų68.819%0.18738%0.38CS..Hα-helixtrans-70-33.4177.9-60.1-45.8000112.5T296 G297 S298 T299 L305T296-D301 VanDerWaalsContact CA-OD2 3.28Å; T296-D301 WeakPolarHBondContact CA-OD2 3.27Å; G297-D301 PolarHBondContact N-OD2 3.41Å; S298-D301 PolarHBondContact N-OD2 2.96Å; S298-D301 WeakPolarHBondContact O-CB 3.36Å; S298-D301 PolarHBondContact O-N 2.98Å; S298-D301 PolarHBondContact OG-N 3.29Å; S298-D301 PolarHBondContact OG-OD2 3.42Å; T299-D301 VanDerWaalsContact C-N 3.26Å; T299-D301 PolarHBondContact O-N 2.04Å; D301-L305 VanDerWaalsContact O-CB 3.31Å; D301-L305 WeakPolarHBondContact O-CB 3.43Å; D301-L305 PolarHBondContact O-N 3.44Å
302A78.8Confident75.5Confident30 Ų3061.3 Ų61.325%0.24835%0.352CS..Hα-helixtrans-66.3-46.9174.400000111.1S298 T299 K304 L305 Y306S298-A302 PolarHBondContact O-N 3.41Å; T299-A302 PolarHBondContact O-N 3.13Å; A302-K304 VanDerWaalsContact C-N 3.34Å; A302-K304 PolarHBondContact O-N 3.39Å; A302-L305 WeakPolarHBondContact O-CB 3.38Å; A302-L305 PolarHBondContact O-N 2.99Å; A302-L305 VanDerWaalsContact O-N 3.12Å; A302-Y306 HydrophobicContact CB-CE2 4.03Å; A302-Y306 VanDerWaalsContact O-CD1 3.31Å; A302-Y306 WeakPolarHBondContact O-CD1 3.47Å; A302-Y306 VanDerWaalsContact O-CD2 3.23Å; A302-Y306 WeakPolarHBondContact O-CD2 3.16Å; A302-Y306 PolarHBondContact O-N 2.85Å
303Q83.5Confident76.8Confident53 Ų5359.5 Ų59.525%0.24834%0.344CS..Hα-helixtrans-61.5-41.9177.3-64.8176.810.900111.8Y101 T299 V300 L305 Y306 A307Y101-Q303 HydrophobicContact CD1-CB 4.24Å; Y101-Q303 HydrophobicContact CD1-CG 4.06Å; Y101-Q303 HydrophobicContact CE1-CB 4.25Å; T299-Q303 PolarHBondContact O-N 3.22Å; T299-Q303 VanDerWaalsContact O-N 3.15Å; V300-Q303 PolarHBondContact O-N 2.86Å; Q303-L305 VanDerWaalsContact C-N 3.35Å; Q303-L305 PolarHBondContact O-N 3.18Å; Q303-Y306 PolarHBondContact O-N 3.48Å; Q303-A307 PolarHBondContact O-N 3.33Å
304K85.9Confident78.3Confident106 Ų10654.5 Ų54.546%0.46132%0.321SS..Hα-helixtrans-62.8-39.1173.3-73.7-179.9178.3-1680112.6T294 V300 A302 Y306 Y308T294-K304 PolarHBondContact OG1-NZ 2.85Å; V300-K304 HydrophobicContact CG1-CD 4.18Å; V300-K304 HydrophobicContact CG1-CG 4.45Å; V300-K304 WeakPolarHBondContact O-CB 3.36Å; V300-K304 VanDerWaalsContact O-CG 3.29Å; V300-K304 WeakPolarHBondContact O-CG 3.17Å; V300-K304 PolarHBondContact O-N 3.5Å; A302-K304 VanDerWaalsContact C-N 3.34Å; A302-K304 PolarHBondContact O-N 3.39Å; K304-Y306 VanDerWaalsContact C-N 3.32Å; K304-Y308 VanDerWaalsContact O-CB 3.24Å; K304-Y308 WeakPolarHBondContact O-CB 3.41Å; K304-Y308 PolarHBondContact O-N 3.09Å
305L90.2Very high80.2Confident42 Ų4251.7 Ų51.722%0.2230%0.302CS..Hα-helixtrans-61.9-41.8174.8-175.874.9000111.2D301 A302 Q303 Y308 L309 F345D301-L305 VanDerWaalsContact O-CB 3.31Å; D301-L305 WeakPolarHBondContact O-CB 3.43Å; D301-L305 PolarHBondContact O-N 3.44Å; A302-L305 WeakPolarHBondContact O-CB 3.38Å; A302-L305 PolarHBondContact O-N 2.99Å; A302-L305 VanDerWaalsContact O-N 3.12Å; Q303-L305 VanDerWaalsContact C-N 3.35Å; Q303-L305 PolarHBondContact O-N 3.18Å; L305-Y308 PolarHBondContact O-N 3.27Å; L305-L309 PolarHBondContact O-N 3.07Å; L305-F345 HydrophobicContact CD1-CE1 3.59Å; L305-F345 HydrophobicContact CD1-CZ 3.72Å; L305-F345 HydrophobicContact CG-CE1 4.06Å; L305-F345 HydrophobicContact CG-CZ 4.33Å
306Y93.9Very high82.4Confident12 Ų1244.9 Ų44.95%0.04727%0.273CS..Hα-helixtrans-67.1-48.6179.4-57.9-21.5000111.7Y100 Y101 R112 L115 L118 A302 Q303 K304 Y308 L309 Q310Y100-Y306 WeakPolarHBondContact O-CD2 3.46Å; Y100-Y306 WeakPolarHBondContact O-CE2 3.34Å; Y101-Y306 HydrophobicContact CD1-CD2 4.47Å; Y101-Y306 HydrophobicContact CE1-CD2 4.34Å; R112-Y306 PolarHBondContact N-OH 3.45Å; L115-Y306 HydrophobicContact CD2-CD1 3.55Å; L115-Y306 HydrophobicContact CD2-CE1 3.48Å; L115-Y306 VanDerWaalsContact CD2-CE1 3.48Å; L118-Y306 HydrophobicContact CD2-CD1 4.4Å; L118-Y306 HydrophobicContact CD2-CG 4.18Å; A302-Y306 HydrophobicContact CB-CE2 4.03Å; A302-Y306 VanDerWaalsContact O-CD1 3.31Å; A302-Y306 WeakPolarHBondContact O-CD1 3.47Å; A302-Y306 VanDerWaalsContact O-CD2 3.23Å; A302-Y306 WeakPolarHBondContact O-CD2 3.16Å; A302-Y306 PolarHBondContact O-N 2.85Å; Q303-Y306 PolarHBondContact O-N 3.48Å; K304-Y306 VanDerWaalsContact C-N 3.32Å; Y306-Y308 VanDerWaalsContact C-N 3.26Å; Y306-Y308 PolarHBondContact O-N 3.49Å; Y306-L309 PolarHBondContact O-N 3.19Å; Y306-L309 VanDerWaalsContact O-N 3.16Å; Y306-Q310 WeakPolarHBondContact O-CG 3.31Å; Y306-Q310 PolarHBondContact O-N 3.45Å
307A93.1Very high84.8Confident38 Ų3840.3 Ų40.331%0.31424%0.243SC..Hα-helixtrans-59.5-39.9174.200000111.2Y101 Q303 Q310 S311Y101-A307 WeakPolarHBondContact OH-CA 3.49Å; Y101-A307 PolarHBondContact OH-N 3.04Å; Y101-A307 VanDerWaalsContact OH-N 3.15Å; Q303-A307 PolarHBondContact O-N 3.33Å; A307-Q310 PolarHBondContact O-N 3.37Å; A307-S311 PolarHBondContact O-N 3.23Å
308Y93.9Very high87Confident80 Ų8037 Ų3731%0.31421%0.206SC..Hα-helixtrans-64.6-42.6176.4-173.3-152000111.8K304 L305 Y306 Q310 S311 C312 K344 F345K304-Y308 VanDerWaalsContact O-CB 3.24Å; K304-Y308 WeakPolarHBondContact O-CB 3.41Å; K304-Y308 PolarHBondContact O-N 3.09Å; L305-Y308 PolarHBondContact O-N 3.27Å; Y306-Y308 VanDerWaalsContact C-N 3.26Å; Y306-Y308 PolarHBondContact O-N 3.49Å; Y308-Q310 VanDerWaalsContact C-N 3.35Å; Y308-Q310 PolarHBondContact O-N 3.13Å; Y308-S311 WeakPolarHBondContact CD2-OG 3.21Å; Y308-S311 PolarHBondContact O-N 2.96Å; Y308-S311 PolarHBondContact O-OG 3.42Å; Y308-C312 VanDerWaalsContact CE2-SG 3.53Å; Y308-C312 WeakPolarHBondContact O-CB 3.22Å; Y308-C312 PolarHBondContact O-N 2.95Å; Y308-K344 HydrophobicContact CD1-CG 4.43Å; Y308-K344 HydrophobicContact CE1-CB 4.47Å; Y308-K344 HydrophobicContact CE1-CG 4.03Å; Y308-F345 AromaticContact CD1-CE2 3.54Å; Y308-F345 HydrophobicContact CD1-CE2 3.54Å; Y308-F345 AromaticContact CD1-CZ 3.79Å; Y308-F345 HydrophobicContact CD1-CZ 3.79Å; Y308-F345 AromaticContact CE1-CE2 3.89Å; Y308-F345 HydrophobicContact CE1-CE2 3.89Å; Y308-F345 HydrophobicContact CE1-CZ 4.47Å; Y308-F345 AromaticContact CG-CE2 3.9Å; Y308-F345 HydrophobicContact CG-CE2 3.9Å; Y308-F345 HydrophobicContact CG-CZ 4.21Å
309L95.7Very high88.8Confident9 Ų938.1 Ų38.15%0.04721%0.207CC..Hα-helixtrans-60.1-45.5173.3177.265.7000111.5L115 L118 L305 Y306 S311 C312 T313 F345 V347L115-L309 HydrophobicContact CB-CD2 3.24Å; L115-L309 HydrophobicContact CD1-CD2 3.85Å; L115-L309 HydrophobicContact CD2-CD2 4.49Å; L115-L309 HydrophobicContact CG-CD2 4.04Å; L118-L309 HydrophobicContact CD2-CD2 4.33Å; L305-L309 PolarHBondContact O-N 3.07Å; Y306-L309 PolarHBondContact O-N 3.19Å; Y306-L309 VanDerWaalsContact O-N 3.16Å; L309-S311 PolarHBondContact O-N 3.03Å; L309-C312 CarbonylContact O-C 3.51Å; L309-C312 WeakPolarHBondContact O-CA 3.29Å; L309-C312 WeakPolarHBondContact O-CB 3.49Å; L309-C312 PolarHBondContact O-N 3.4Å; L309-T313 HydrophobicContact CD1-CG2 3.94Å; L309-T313 HydrophobicContact CG-CG2 4.4Å; L309-T313 PolarHBondContact O-N 3.39Å; L309-T313 PolarHBondContact O-OG1 3.3Å; L309-F345 HydrophobicContact CB-CD1 4.47Å; L309-F345 HydrophobicContact CB-CE1 4.1Å; L309-F345 HydrophobicContact CB-CE2 4.27Å; L309-F345 HydrophobicContact CB-CZ 3.99Å; L309-F345 HydrophobicContact CD1-CB 3.94Å; L309-F345 HydrophobicContact CD1-CD1 3.99Å; L309-F345 HydrophobicContact CD1-CD2 4.03Å; L309-F345 HydrophobicContact CD1-CE1 4.47Å; L309-F345 HydrophobicContact CD1-CG 3.75Å; L309-V347 HydrophobicContact CD1-CG2 4.14Å
310Q95.8Very high90.4Very high6 Ų633.5 Ų33.53%0.02818%0.179CC..Hα-helixtrans-58.1-39.6178-70.3-175.1-93.600111.4Y101 L118 Y153 Y306 A307 Y308 C312 T313 E314 M315Y101-Q310 PolarHBondContact OH-OE1 2.93Å; L118-Q310 HydrophobicContact CD1-CG 4.11Å; L118-Q310 HydrophobicContact CD2-CG 3.95Å; L118-Q310 HydrophobicContact CG-CG 3.76Å; Y153-Q310 PolarHBondContact OH-NE2 2.87Å; Y306-Q310 WeakPolarHBondContact O-CG 3.31Å; Y306-Q310 PolarHBondContact O-N 3.45Å; A307-Q310 PolarHBondContact O-N 3.37Å; Y308-Q310 VanDerWaalsContact C-N 3.35Å; Y308-Q310 PolarHBondContact O-N 3.13Å; Q310-C312 VanDerWaalsContact C-N 3.3Å; Q310-C312 PolarHBondContact O-N 3Å; Q310-T313 PolarHBondContact O-N 3.14Å; Q310-T313 PolarHBondContact O-OG1 3.23Å; Q310-E314 PolarHBondContact O-N 3.44Å; Q310-M315 HydrophobicContact CB-CG 4.25Å; Q310-M315 PolarHBondContact O-N 2.97Å
311S95.2Very high91.8Very high30 Ų3031.6 Ų31.621%0.2117%0.167CC..Hα-helixtrans-67.8-29.6173.975.10000113.7A307 Y308 L309 T313 M315 F337A307-S311 PolarHBondContact O-N 3.23Å; Y308-S311 WeakPolarHBondContact CD2-OG 3.21Å; Y308-S311 PolarHBondContact O-N 2.96Å; Y308-S311 PolarHBondContact O-OG 3.42Å; L309-S311 PolarHBondContact O-N 3.03Å; S311-T313 VanDerWaalsContact C-N 3.29Å; S311-T313 PolarHBondContact O-N 2.81Å; S311-M315 WeakPolarHBondContact CA-O 3.41Å; S311-F337 WeakPolarHBondContact O-CZ 3.33Å
312C96.5Very high92.7Very high0 Ų031 Ų310%017%0.165CC..THydrogen-bonded Turntrans-81-3.1175.5-80.90000114Y308 L309 Q310 C341 F345 V347 P349Y308-C312 VanDerWaalsContact CE2-SG 3.53Å; Y308-C312 WeakPolarHBondContact O-CB 3.22Å; Y308-C312 PolarHBondContact O-N 2.95Å; L309-C312 CarbonylContact O-C 3.51Å; L309-C312 WeakPolarHBondContact O-CA 3.29Å; L309-C312 WeakPolarHBondContact O-CB 3.49Å; L309-C312 PolarHBondContact O-N 3.4Å; Q310-C312 VanDerWaalsContact C-N 3.3Å; Q310-C312 PolarHBondContact O-N 3Å; C312-C341 WeakPolarHBondContact CA-SG 3.19Å; C312-C341 HydrophobicContact CB-CB 3.56Å; C312-C341 WeakPolarHBondContact CB-SG 3.43Å; C312-C341 WeakPolarHBondContact SG-CA 3.49Å; C312-C341 WeakPolarHBondContact SG-CB 3.34Å; C312-C341 CovalentContact SG-SG 2.04Å; C312-C341 PolarHBondContact SG-SG 3.29Å; C312-F345 HydrophobicContact CB-CD2 4.12Å; C312-F345 HydrophobicContact CB-CE2 4.43Å; C312-V347 HydrophobicContact CB-CG2 4.06Å; C312-P349 VanDerWaalsContact O-CA 3.24Å; C312-P349 WeakPolarHBondContact O-CA 3.33Å
313T96.6Very high93.1Very high30 Ų3039.1 Ų39.118%0.18419%0.189CC..THydrogen-bonded Turntrans-123.4-72.2178.955.30000111.8L309 Q310 S311 V347 S350L309-T313 HydrophobicContact CD1-CG2 3.94Å; L309-T313 HydrophobicContact CG-CG2 4.4Å; L309-T313 PolarHBondContact O-N 3.39Å; L309-T313 PolarHBondContact O-OG1 3.3Å; Q310-T313 PolarHBondContact O-N 3.14Å; Q310-T313 PolarHBondContact O-OG1 3.23Å; S311-T313 VanDerWaalsContact C-N 3.29Å; S311-T313 PolarHBondContact O-N 2.81Å; T313-V347 HydrophobicContact CG2-CB 4.31Å; T313-V347 HydrophobicContact CG2-CG1 4.49Å; T313-V347 HydrophobicContact CG2-CG2 3.95Å; T313-S350 WeakPolarHBondContact O-CA 3.49Å; T313-S350 WeakPolarHBondContact O-CB 3.1Å; T313-S350 PolarHBondContact O-N 3.42Å
314E96.1Very high92.8Very high16 Ų1646.4 Ų46.48%0.07522%0.215CC..THydrogen-bonded Turntrans-109.6-32.8-169.2-58.5-177.4134.200113.2S119 S120 Q310 V316 W353 A354S119-E314 VanDerWaalsContact CA-OE2 3.27Å; S119-E314 WeakPolarHBondContact CA-OE2 3.46Å; S119-E314 VanDerWaalsContact CB-OE2 3.24Å; S119-E314 WeakPolarHBondContact CB-OE2 3.35Å; S120-E314 PolarHBondContact N-OE2 2.6Å; S120-E314 PolarHBondContact OG-OE2 2.99Å; S120-E314 VanDerWaalsContact OG-OE2 3.12Å; Q310-E314 PolarHBondContact O-N 3.44Å; E314-V316 VanDerWaalsContact C-N 3.29Å; E314-V316 PolarHBondContact O-N 3.32Å; E314-W353 VanDerWaalsContact CG-CD1 3.49Å; E314-W353 HydrophobicContact CG-CG 4.49Å; E314-W353 PolarHBondContact OE1-NE1 3.23Å; E314-A354 WeakPolarHBondContact O-CB 3.45Å
315M95.9Very high92.4Very high14 Ų1442.1 Ų42.17%0.06920%0.2CC..  trans-92.450.4-176.6-58.1-55.1139.300111.5S120 Y153 M156 W160 F182 Q310 S311 M317S120-M315 WeakPolarHBondContact OG-CE 3.37Å; Y153-M315 HydrophobicContact CE2-CE 4.12Å; Y153-M315 HydrophobicContact CE2-SD 4.31Å; M156-M315 HydrophobicContact CE-SD 4.08Å; W160-M315 HydrophobicContact CH2-CE 3.62Å; W160-M315 HydrophobicContact CH2-SD 3.85Å; W160-M315 HydrophobicContact CZ3-CE 3.74Å; W160-M315 HydrophobicContact CZ3-SD 4.44Å; F182-M315 HydrophobicContact CE1-SD 4.42Å; F182-M315 HydrophobicContact CZ-SD 4.12Å; Q310-M315 HydrophobicContact CB-CG 4.25Å; Q310-M315 PolarHBondContact O-N 2.97Å; S311-M315 WeakPolarHBondContact CA-O 3.41Å; M315-M317 HydrophobicContact CB-CE 4.14Å; M315-M317 WeakPolarHBondContact O-CG 3.47Å; M315-M317 PolarHBondContact O-N 3.04Å; M315-M317 HydrophobicContact SD-CE 4.23Å
316V96.4Very high92.1Very high0 Ų041.1 Ų41.10%020%0.195CC..  trans-74.694.6-179.2-1720000109P183 E314 P318 W332 F337 P349P183-V316 WeakPolarHBondContact CD-O 3.25Å; P183-V316 HydrophobicContact CG-CG1 4.48Å; E314-V316 VanDerWaalsContact C-N 3.29Å; E314-V316 PolarHBondContact O-N 3.32Å; V316-P318 WeakPolarHBondContact O-CD 3.21Å; V316-W332 HydrophobicContact CG1-CZ2 4.47Å; V316-F337 HydrophobicContact CG1-CE1 4.11Å; V316-P349 HydrophobicContact CG1-CB 4.43Å; V316-P349 HydrophobicContact CG2-CB 3.64Å
317M95.8Very high91.7Very high38 Ų3841.3 Ų41.319%0.18720%0.196CC..  trans-111.5103.2-174-59.6-167.8-175.300110.8M156 Q181 F182 M315 M319 W379M156-M317 HydrophobicContact CE-CE 3.75Å; M156-M317 HydrophobicContact SD-CE 4.06Å; Q181-M317 HydrophobicContact CB-SD 4.19Å; Q181-M317 HydrophobicContact CG-CB 4.07Å; Q181-M317 HydrophobicContact CG-CG 4.35Å; Q181-M317 HydrophobicContact CG-SD 4.17Å; Q181-M317 WeakPolarHBondContact O-CA 3.21Å; Q181-M317 WeakPolarHBondContact O-CB 3.49Å; Q181-M317 VanDerWaalsContact O-CG 3.22Å; Q181-M317 WeakPolarHBondContact O-CG 3.47Å; F182-M317 HydrophobicContact CZ-CE 4.21Å; M315-M317 HydrophobicContact CB-CE 4.14Å; M315-M317 WeakPolarHBondContact O-CG 3.47Å; M315-M317 PolarHBondContact O-N 3.04Å; M315-M317 HydrophobicContact SD-CE 4.23Å; M317-M319 PolarHBondContact O-N 2.91Å; M317-W379 HydrophobicContact SD-CH2 4.4Å; M317-W379 HydrophobicContact SD-CZ3 4.06Å
318P95.5Very high91.3Very high10 Ų1044.6 Ų44.67%0.06520%0.204CC..  trans-61.6131.5178.8-2535.6000112.2Q181 P183 C188 V316 W332Q181-P318 PolarHBondContact NE2-O 3.25Å; Q181-P318 VanDerWaalsContact NE2-O 3.13Å; P183-P318 HydrophobicContact CB-CG 4.22Å; P183-P318 HydrophobicContact CG-CG 3.8Å; C188-P318 HydrophobicContact CB-CB 3.92Å; V316-P318 WeakPolarHBondContact O-CD 3.21Å; P318-W332 HydrophobicContact CB-CD2 3.89Å; P318-W332 HydrophobicContact CB-CG 3.9Å
319M93.2Very high91Very high74 Ų7446.9 Ų46.937%0.36521%0.213SC..  trans-134.3136.6174.9-62.2-171.376.400110.3C188 F191 M317C188-M319 WeakPolarHBondContact O-CA 3.22Å; F191-M319 HydrophobicContact CB-CE 3.99Å; F191-M319 HydrophobicContact CD1-CE 3.42Å; F191-M319 VanDerWaalsContact CD1-CE 3.42Å; F191-M319 HydrophobicContact CD2-CE 4.08Å; F191-M319 HydrophobicContact CE1-CE 3.84Å; F191-M319 HydrophobicContact CE2-CE 4.44Å; F191-M319 HydrophobicContact CG-CE 3.56Å; F191-M319 HydrophobicContact CZ-CE 4.34Å; M317-M319 PolarHBondContact O-N 2.91Å
320C94.1Very high90.8Very high12 Ų1248.8 Ų48.88%0.08123%0.227CC..  trans-155.5171.7178.672.20000109.9C188 S189 T192 S330 W332C188-C320 HydrophobicContact CB-CB 3.81Å; C188-C320 WeakPolarHBondContact CB-SG 3.4Å; C188-C320 PolarHBondContact O-N 3.41Å; C188-C320 WeakPolarHBondContact SG-CB 3.46Å; C188-C320 CovalentContact SG-SG 2.04Å; C188-C320 PolarHBondContact SG-SG 2.69Å; S189-C320 VanDerWaalsContact CA-O 3.29Å; S189-C320 WeakPolarHBondContact CA-O 3.24Å; S189-C320 PolarHBondContact N-SG 3.05Å; T192-C320 PolarHBondContact OG1-O 2.83Å; C320-S330 WeakPolarHBondContact CB-O 3.49Å; C320-W332 HydrophobicContact CB-CB 4.23Å
321N91.8Very high90.6Very high29 Ų2955.3 Ų55.316%0.15526%0.257CS..BIsolated β-bridgetrans-114.8122.8177.5-59-17.1000110.1T192 F327 E328 S330T192-N321 WeakPolarHBondContact CG2-OD1 3.41Å; N321-F327 HydrophobicContact CB-CB 4.25Å; N321-F327 WeakPolarHBondContact ND2-CB 3.38Å; N321-E328 WeakPolarHBondContact CB-O 3.34Å; N321-E328 PolarHBondContact ND2-O 3.31Å; N321-S330 WeakPolarHBondContact CB-OG 3.37Å; N321-S330 VanDerWaalsContact CG-OG 3.31Å; N321-S330 PolarHBondContact N-O 3.02Å; N321-S330 PolarHBondContact N-OG 2.82Å; N321-S330 PolarHBondContact ND2-OG 2.78Å; N321-S330 PolarHBondContact O-N 2.98Å
322S89Confident90.6Very high21 Ų2157.2 Ų57.215%0.14726%0.26CS..  trans-79.4166.6173.388.10000111.6D193 R324 G325D193-S322 WeakPolarHBondContact OD1-CB 3.23Å; D193-S322 PolarHBondContact OD1-OG 2.93Å; D193-S322 PolarHBondContact OD2-OG 3.4Å; S322-R324 PolarHBondContact O-N 3.12Å; S322-R324 WeakPolarHBondContact OG-CB 3.49Å; S322-R324 PolarHBondContact OG-N 2.6Å; S322-G325 PolarHBondContact O-N 3.37Å
323R86.1Confident90.5Very high202 Ų20261 Ų6176%0.76228%0.28SS*.THydrogen-bonded Turntrans-69.4-6.5170.7-62.9-173.4-176.2-157.20.9114.1R329R323-R329 HydrophobicContact CG-CG 4.42Å
324R78.2Confident90.3Very high206 Ų20663.3 Ų63.378%0.77729%0.289SS*.THydrogen-bonded Turntrans-86.9-19.6-179.2-52.8-179.6-163.9163.65112.4S322S322-R324 PolarHBondContact O-N 3.12Å; S322-R324 WeakPolarHBondContact OG-CB 3.49Å; S322-R324 PolarHBondContact OG-N 2.6Å
325G78.3Confident90.3Very high15 Ų1567.2 Ų67.216%0.15531%0.314CS..SBendtrans-85.9171.2-179.300000113T196 S322 F327T196-G325 VanDerWaalsContact OG1-CA 3.28Å; T196-G325 WeakPolarHBondContact OG1-CA 3.33Å; S322-G325 PolarHBondContact O-N 3.37Å; G325-F327 PolarHBondContact O-N 2.74Å
326M83.6Confident90.3Very high21 Ų2170.4 Ų70.410%0.10333%0.329CS..SBendtrans-80.5-1.2173.768.6-173.3-177.700113.7T195 T196 F200 Y229T195-M326 HydrophobicContact CG2-CE 4.24Å; T196-M326 HydrophobicContact CG2-CB 3.97Å; T196-M326 HydrophobicContact CG2-CG 4.18Å; T196-M326 PolarHBondContact OG1-N 2.86Å; F200-M326 HydrophobicContact CD1-CE 4.31Å; F200-M326 HydrophobicContact CD2-CE 4.01Å; F200-M326 HydrophobicContact CE2-CE 4.26Å; F200-M326 HydrophobicContact CG-CE 4.06Å; F200-M326 HydrophobicContact CG-SD 4.38Å; Y229-M326 HydrophobicContact CD1-CE 4.33Å; Y229-M326 HydrophobicContact CD2-CE 4.31Å; Y229-M326 HydrophobicContact CG-CE 3.88Å
327F85.2Confident90.3Very high17 Ų1771.8 Ų71.88%0.07534%0.335CS..SBendtrans-97.6150.3-177.8-53.5-72.3000111.4T192 T195 S226 Y229 N321 G325 R329T192-F327 HydrophobicContact CG2-CD2 4.02Å; T192-F327 HydrophobicContact CG2-CE2 4.18Å; T195-F327 HydrophobicContact CG2-CE2 3.97Å; T195-F327 HydrophobicContact CG2-CZ 3.82Å; S226-F327 WeakPolarHBondContact OG-CD1 3.45Å; Y229-F327 HydrophobicContact CD2-CE1 4.19Å; N321-F327 HydrophobicContact CB-CB 4.25Å; N321-F327 WeakPolarHBondContact ND2-CB 3.38Å; G325-F327 PolarHBondContact O-N 2.74Å; F327-R329 PolarHBondContact O-N 2.87Å
328E83.7Confident90.3Very high106 Ų10670.3 Ų70.350%0.49533%0.329SS..PPolyproline II helixtrans-57.2132.5174.1-173.6176.1-177.100110.5N321 S330N321-E328 WeakPolarHBondContact CB-O 3.34Å; N321-E328 PolarHBondContact ND2-O 3.31Å; E328-S330 PolarHBondContact O-N 2.84Å
329R88.9Confident90.4Very high128 Ų12875 Ų7548%0.48335%0.35SS..PPolyproline II helixtrans-56.1130.7-178.6-178-171.4176.2-172.61.3110.1R323 F327 E331R323-R329 HydrophobicContact CG-CG 4.42Å; F327-R329 PolarHBondContact O-N 2.87Å; R329-E331 IonicContact CZ-OE1 3.45Å; R329-E331 IonicContact NE-OE1 3.74Å; R329-E331 IonicContact NH2-OE1 2.69Å; R329-E331 PolarHBondContact NH2-OE1 3.08Å
330S90.2Very high90.5Very high50 Ų5075.4 Ų75.435%0.3535%0.35SS..BIsolated β-bridgetrans-137.3154.117465.20000109.4C320 N321 E328C320-S330 WeakPolarHBondContact CB-O 3.49Å; N321-S330 WeakPolarHBondContact CB-OG 3.37Å; N321-S330 VanDerWaalsContact CG-OG 3.31Å; N321-S330 PolarHBondContact N-O 3.02Å; N321-S330 PolarHBondContact N-OG 2.82Å; N321-S330 PolarHBondContact ND2-OG 2.78Å; N321-S330 PolarHBondContact O-N 2.98Å; E328-S330 PolarHBondContact O-N 2.84Å
331E92.8Very high90.7Very high142 Ų14274.9 Ų74.966%0.66435%0.346SS*.  trans-115.2143.9178-62.9-170.9164.700109.7R329 N333R329-E331 IonicContact CZ-OE1 3.45Å; R329-E331 IonicContact NE-OE1 3.74Å; R329-E331 IonicContact NH2-OE1 2.69Å; R329-E331 PolarHBondContact NH2-OE1 3.08Å; E331-N333 PolarHBondContact O-N 3Å
332W94.1Very high90.9Very high70 Ų7079 Ų7927%0.26536%0.363SS..  trans-76.4116.3173.1170.6-101.5000109.4C188 V316 P318 C320 F337C188-W332 HydrophobicContact CB-CB 4.35Å; V316-W332 HydrophobicContact CG1-CZ2 4.47Å; P318-W332 HydrophobicContact CB-CD2 3.89Å; P318-W332 HydrophobicContact CB-CG 3.9Å; C320-W332 HydrophobicContact CB-CB 4.23Å; W332-F337 HydrophobicContact CH2-CB 3.93Å; W332-F337 AromaticContact CH2-CD1 3.78Å; W332-F337 HydrophobicContact CH2-CD1 3.78Å; W332-F337 AromaticContact CH2-CD2 3.69Å; W332-F337 HydrophobicContact CH2-CD2 3.69Å; W332-F337 HydrophobicContact CH2-CE1 4.19Å; W332-F337 HydrophobicContact CH2-CE2 4.11Å; W332-F337 AromaticContact CH2-CG 3.5Å; W332-F337 HydrophobicContact CH2-CG 3.5Å; W332-F337 HydrophobicContact CH2-CZ 4.35Å; W332-F337 HydrophobicContact CZ2-CB 4.11Å; W332-F337 AromaticContact CZ2-CD1 3.95Å; W332-F337 HydrophobicContact CZ2-CD1 3.95Å; W332-F337 AromaticContact CZ2-CG 3.95Å; W332-F337 HydrophobicContact CZ2-CG 3.95Å; W332-F337 HydrophobicContact CZ3-CD2 4.23Å; W332-F337 HydrophobicContact CZ3-CG 4.35Å
333N95.2Very high91.3Very high80 Ų8086.5 Ų86.543%0.42839%0.388SS..  trans-106.898.2175.5-173.1-16.3000110.2E331 T335 E336 F337E331-N333 PolarHBondContact O-N 3Å; N333-T335 PolarHBondContact O-N 2.97Å; N333-T335 PolarHBondContact OD1-N 3Å; N333-E336 HydrophobicContact CB-CB 3.94Å; N333-E336 VanDerWaalsContact CG-CB 3.49Å; N333-E336 PolarHBondContact O-N 2.94Å; N333-E336 PolarHBondContact OD1-N 2.78Å; N333-E336 VanDerWaalsContact OD1-N 3.11Å; N333-F337 WeakPolarHBondContact O-CB 3.31Å; N333-F337 PolarHBondContact O-N 3.01Å
334E93.4Very high91.6Very high79 Ų7982.7 Ų82.737%0.36938%0.377SS..Hα-helixtrans-63.8-38.7-177.6-169170.1170.800112.6F337 G338 R351E334-F337 WeakPolarHBondContact O-CB 3.33Å; E334-F337 PolarHBondContact O-N 2.86Å; E334-G338 PolarHBondContact O-N 2.99Å; E334-R351 WeakPolarHBondContact OE1-CD 3.29Å; E334-R351 WeakPolarHBondContact OE1-CG 3.44Å; E334-R351 IonicContact OE1-NE 2.68Å; E334-R351 IonicContact OE2-NE 3.62Å
335T95.9Very high92.4Very high98 Ų9875 Ų7560%0.60135%0.349SS*.Hα-helixtrans-63.3-49.1177.8-55.10000111N333 F337 G338 E339N333-T335 PolarHBondContact O-N 2.97Å; N333-T335 PolarHBondContact OD1-N 3Å; T335-F337 VanDerWaalsContact C-N 3.28Å; T335-F337 PolarHBondContact O-N 3.03Å; T335-G338 PolarHBondContact O-N 3.27Å; T335-E339 WeakPolarHBondContact O-CG 3.49Å; T335-E339 PolarHBondContact O-N 3Å
336E95.5Very high93.2Very high80 Ų8076.8 Ų76.837%0.37437%0.368SS..Hα-helixtrans-62.6-37.9178.1-174.7-171160.200111.6N333 E339 K340N333-E336 HydrophobicContact CB-CB 3.94Å; N333-E336 VanDerWaalsContact CG-CB 3.49Å; N333-E336 PolarHBondContact O-N 2.94Å; N333-E336 PolarHBondContact OD1-N 2.78Å; N333-E336 VanDerWaalsContact OD1-N 3.11Å; E336-E339 PolarHBondContact O-N 3.33Å; E336-K340 HydrophobicContact CG-CD 4.49Å; E336-K340 WeakPolarHBondContact O-CG 3.28Å; E336-K340 PolarHBondContact O-N 3.43Å; E336-K340 WeakPolarHBondContact OE1-CE 3.39Å; E336-K340 IonicContact OE1-NZ 3.21Å; E336-K340 PolarHBondContact OE1-NZ 3.24Å
337F95.2Very high93.8Very high30 Ų3077.8 Ų77.813%0.13238%0.375CS..Hα-helixtrans-60.8-48.8173.8179.2-104.8000111.4S311 V316 W332 N333 E334 T335 E339 K340 C341 P349S311-F337 WeakPolarHBondContact O-CZ 3.33Å; V316-F337 HydrophobicContact CG1-CE1 4.11Å; W332-F337 HydrophobicContact CH2-CB 3.93Å; W332-F337 AromaticContact CH2-CD1 3.78Å; W332-F337 HydrophobicContact CH2-CD1 3.78Å; W332-F337 AromaticContact CH2-CD2 3.69Å; W332-F337 HydrophobicContact CH2-CD2 3.69Å; W332-F337 HydrophobicContact CH2-CE1 4.19Å; W332-F337 HydrophobicContact CH2-CE2 4.11Å; W332-F337 AromaticContact CH2-CG 3.5Å; W332-F337 HydrophobicContact CH2-CG 3.5Å; W332-F337 HydrophobicContact CH2-CZ 4.35Å; W332-F337 HydrophobicContact CZ2-CB 4.11Å; W332-F337 AromaticContact CZ2-CD1 3.95Å; W332-F337 HydrophobicContact CZ2-CD1 3.95Å; W332-F337 AromaticContact CZ2-CG 3.95Å; W332-F337 HydrophobicContact CZ2-CG 3.95Å; W332-F337 HydrophobicContact CZ3-CD2 4.23Å; W332-F337 HydrophobicContact CZ3-CG 4.35Å; N333-F337 WeakPolarHBondContact O-CB 3.31Å; N333-F337 PolarHBondContact O-N 3.01Å; E334-F337 WeakPolarHBondContact O-CB 3.33Å; E334-F337 PolarHBondContact O-N 2.86Å; T335-F337 VanDerWaalsContact C-N 3.28Å; T335-F337 PolarHBondContact O-N 3.03Å; F337-E339 PolarHBondContact O-N 3.15Å; F337-K340 WeakPolarHBondContact O-CB 3.33Å; F337-K340 PolarHBondContact O-N 3.19Å; F337-C341 PolarHBondContact O-N 3.19Å; F337-C341 PolarHBondContact O-SG 3.44Å; F337-C341 VanDerWaalsContact O-SG 3.37Å; F337-P349 HydrophobicContact CD1-CB 4.41Å; F337-P349 HydrophobicContact CD1-CG 3.83Å; F337-P349 HydrophobicContact CE1-CB 4.06Å; F337-P349 HydrophobicContact CE1-CG 3.69Å
338G96.9Very high94.3Very high6 Ų682.7 Ų82.76%0.06240%0.398CS..Hα-helixtrans-58.2-44.1175.800000113E334 T335 K340 C341 F342E334-G338 PolarHBondContact O-N 2.99Å; T335-G338 PolarHBondContact O-N 3.27Å; G338-K340 PolarHBondContact O-N 3.37Å; G338-C341 PolarHBondContact O-N 2.91Å; G338-F342 WeakPolarHBondContact O-CB 2.9Å; G338-F342 PolarHBondContact O-N 3.27Å
339E97.5Very high94.9Very high108 Ų10879 Ų7951%0.50538%0.383SS..Hα-helixtrans-63.4-37.2176-72175.8177.300113T335 E336 F337 R343T335-E339 WeakPolarHBondContact O-CG 3.49Å; T335-E339 PolarHBondContact O-N 3Å; E336-E339 PolarHBondContact O-N 3.33Å; F337-E339 PolarHBondContact O-N 3.15Å; E339-R343 WeakPolarHBondContact O-CB 2.97Å; E339-R343 VanDerWaalsContact O-CG 3.28Å; E339-R343 WeakPolarHBondContact O-CG 3.47Å; E339-R343 PolarHBondContact O-N 2.92Å; E339-R343 PolarHBondContact O-NE 3.33Å
340K95.5Very high95.2Very high84 Ų8475.6 Ų75.637%0.36538%0.379SS..Hα-helixtrans-65.3-44.9173.8-74.6171.3-176.5166.80111E336 F337 G338 R343 K344E336-K340 HydrophobicContact CG-CD 4.49Å; E336-K340 WeakPolarHBondContact O-CG 3.28Å; E336-K340 PolarHBondContact O-N 3.43Å; E336-K340 WeakPolarHBondContact OE1-CE 3.39Å; E336-K340 IonicContact OE1-NZ 3.21Å; E336-K340 PolarHBondContact OE1-NZ 3.24Å; F337-K340 WeakPolarHBondContact O-CB 3.33Å; F337-K340 PolarHBondContact O-N 3.19Å; G338-K340 PolarHBondContact O-N 3.37Å; K340-R343 PolarHBondContact O-N 2.98Å; K340-K344 WeakPolarHBondContact O-CB 3.43Å; K340-K344 PolarHBondContact O-N 3.25Å
341C96.9Very high95.4Very high0 Ų077.9 Ų77.90%038%0.38CS..Hα-helixtrans-61.8-44.8176.5-69.50000112.1C312 F337 G338 K344 F345 V347 P349C312-C341 WeakPolarHBondContact CA-SG 3.19Å; C312-C341 HydrophobicContact CB-CB 3.56Å; C312-C341 WeakPolarHBondContact CB-SG 3.43Å; C312-C341 WeakPolarHBondContact SG-CA 3.49Å; C312-C341 WeakPolarHBondContact SG-CB 3.34Å; C312-C341 CovalentContact SG-SG 2.04Å; C312-C341 PolarHBondContact SG-SG 3.29Å; F337-C341 PolarHBondContact O-N 3.19Å; F337-C341 PolarHBondContact O-SG 3.44Å; F337-C341 VanDerWaalsContact O-SG 3.37Å; G338-C341 PolarHBondContact O-N 2.91Å; C341-K344 PolarHBondContact O-N 3.09Å; C341-F345 PolarHBondContact O-N 3.22Å; C341-V347 CarbonylContact C-O 3.58Å; C341-P349 HydrophobicContact CB-CG 4.04Å
342F97.3Very high95.4Very high115 Ų11575 Ų7550%0.50437%0.369SS..Hα-helixtrans-63.2-45.2177.7-171-98.9000111.8G338 K344 G346 V347 Q348G338-F342 WeakPolarHBondContact O-CB 2.9Å; G338-F342 PolarHBondContact O-N 3.27Å; F342-K344 VanDerWaalsContact C-N 3.33Å; F342-K344 PolarHBondContact O-N 2.98Å; F342-G346 WeakPolarHBondContact O-CA 3.31Å; F342-G346 PolarHBondContact O-N 3.19Å; F342-V347 VanDerWaalsContact CA-O 3.28Å; F342-V347 WeakPolarHBondContact CA-O 3.4Å; F342-V347 PolarHBondContact N-O 2.7Å; F342-Q348 HydrophobicContact CD2-CG 4.22Å
343R96.9Very high95.4Very high179 Ų17977.2 Ų77.268%0.67538%0.378SS*.Hα-helixtrans-62.7-37.6176.2-76.6-176.9-67.2-179.1-4.6113.1E339 K340E339-R343 WeakPolarHBondContact O-CB 2.97Å; E339-R343 VanDerWaalsContact O-CG 3.28Å; E339-R343 WeakPolarHBondContact O-CG 3.47Å; E339-R343 PolarHBondContact O-N 2.92Å; E339-R343 PolarHBondContact O-NE 3.33Å; K340-R343 PolarHBondContact O-N 2.98Å
344K93.5Very high95.4Very high123 Ų12373.5 Ų73.554%0.53536%0.358SS..Hα-helixtrans-81.7-40.4-174.8-177.362.2177.2-179.40113.2Y308 K340 C341 F342Y308-K344 HydrophobicContact CD1-CG 4.43Å; Y308-K344 HydrophobicContact CE1-CB 4.47Å; Y308-K344 HydrophobicContact CE1-CG 4.03Å; K340-K344 WeakPolarHBondContact O-CB 3.43Å; K340-K344 PolarHBondContact O-N 3.25Å; C341-K344 PolarHBondContact O-N 3.09Å; F342-K344 VanDerWaalsContact C-N 3.33Å; F342-K344 PolarHBondContact O-N 2.98Å
345F94.4Very high95.5Very high43 Ų4371.5 Ų71.519%0.18935%0.351CS..Hα-helixtrans-128.5-8.2-167.3-61.8-67.2000114L115 L305 Y308 L309 C312 C341 V347L115-F345 HydrophobicContact CD1-CD1 4.15Å; L115-F345 HydrophobicContact CD1-CE1 4.05Å; L305-F345 HydrophobicContact CD1-CE1 3.59Å; L305-F345 HydrophobicContact CD1-CZ 3.72Å; L305-F345 HydrophobicContact CG-CE1 4.06Å; L305-F345 HydrophobicContact CG-CZ 4.33Å; Y308-F345 AromaticContact CD1-CE2 3.54Å; Y308-F345 HydrophobicContact CD1-CE2 3.54Å; Y308-F345 AromaticContact CD1-CZ 3.79Å; Y308-F345 HydrophobicContact CD1-CZ 3.79Å; Y308-F345 AromaticContact CE1-CE2 3.89Å; Y308-F345 HydrophobicContact CE1-CE2 3.89Å; Y308-F345 HydrophobicContact CE1-CZ 4.47Å; Y308-F345 AromaticContact CG-CE2 3.9Å; Y308-F345 HydrophobicContact CG-CE2 3.9Å; Y308-F345 HydrophobicContact CG-CZ 4.21Å; L309-F345 HydrophobicContact CB-CD1 4.47Å; L309-F345 HydrophobicContact CB-CE1 4.1Å; L309-F345 HydrophobicContact CB-CE2 4.27Å; L309-F345 HydrophobicContact CB-CZ 3.99Å; L309-F345 HydrophobicContact CD1-CB 3.94Å; L309-F345 HydrophobicContact CD1-CD1 3.99Å; L309-F345 HydrophobicContact CD1-CD2 4.03Å; L309-F345 HydrophobicContact CD1-CE1 4.47Å; L309-F345 HydrophobicContact CD1-CG 3.75Å; C312-F345 HydrophobicContact CB-CD2 4.12Å; C312-F345 HydrophobicContact CB-CE2 4.43Å; C341-F345 PolarHBondContact O-N 3.22Å; F345-V347 HydrophobicContact CB-CG1 4.35Å; F345-V347 HydrophobicContact CB-CG2 3.89Å; F345-V347 PolarHBondContact O-N 2.75Å
346G95.5Very high95.5Very high53 Ų5371 Ų7155%0.54636%0.357SS..SBendtrans70.318.9-174.600000113.8F342F342-G346 WeakPolarHBondContact O-CA 3.31Å; F342-G346 PolarHBondContact O-N 3.19Å
347V95.7Very high95.4Very high42 Ų4269.1 Ų69.126%0.25535%0.349SS..  trans-115.1151.7-178.9-54.40000111L309 C312 T313 C341 F342 F345L309-V347 HydrophobicContact CD1-CG2 4.14Å; C312-V347 HydrophobicContact CB-CG2 4.06Å; T313-V347 HydrophobicContact CG2-CB 4.31Å; T313-V347 HydrophobicContact CG2-CG1 4.49Å; T313-V347 HydrophobicContact CG2-CG2 3.95Å; C341-V347 CarbonylContact C-O 3.58Å; F342-V347 VanDerWaalsContact CA-O 3.28Å; F342-V347 WeakPolarHBondContact CA-O 3.4Å; F342-V347 PolarHBondContact N-O 2.7Å; F345-V347 HydrophobicContact CB-CG1 4.35Å; F345-V347 HydrophobicContact CB-CG2 3.89Å; F345-V347 PolarHBondContact O-N 2.75Å
348Q96.2Very high95.5Very high120 Ų12068 Ų6856%0.56134%0.344SS*.  trans-104.8133.9169.1-71.8-66.8-10.600109.4F342 S350F342-Q348 HydrophobicContact CD2-CG 4.22Å; Q348-S350 PolarHBondContact O-N 3.45Å
349P96.7Very high95.3Very high29 Ų2968.7 Ų68.719%0.18835%0.352CS..  trans-59.7134.2178.3-23.133.3000112.7C312 V316 F337 C341 R351C312-P349 VanDerWaalsContact O-CA 3.24Å; C312-P349 WeakPolarHBondContact O-CA 3.33Å; V316-P349 HydrophobicContact CG1-CB 4.43Å; V316-P349 HydrophobicContact CG2-CB 3.64Å; F337-P349 HydrophobicContact CD1-CB 4.41Å; F337-P349 HydrophobicContact CD1-CG 3.83Å; F337-P349 HydrophobicContact CE1-CB 4.06Å; F337-P349 HydrophobicContact CE1-CG 3.69Å; C341-P349 HydrophobicContact CB-CG 4.04Å; P349-R351 PolarHBondContact O-N 3.34Å
350S95.1Very high95.1Very high56 Ų5663.7 Ų63.739%0.39233%0.329SS..  trans-93.685.4173.7-160.50000109.8T313 Q348 D352 W353T313-S350 WeakPolarHBondContact O-CA 3.49Å; T313-S350 WeakPolarHBondContact O-CB 3.1Å; T313-S350 PolarHBondContact O-N 3.42Å; Q348-S350 PolarHBondContact O-N 3.45Å; S350-D352 VanDerWaalsContact C-N 3.27Å; S350-D352 PolarHBondContact O-N 3Å; S350-D352 VanDerWaalsContact O-N 3.13Å; S350-W353 PolarHBondContact O-N 3.5Å; S350-W353 WeakPolarHBondContact OG-CB 3.43Å
351R93.1Very high95Very high99 Ų9964.7 Ų64.737%0.37433%0.33SS..THydrogen-bonded Turntrans-44.2-45.9-173.5-174.2-168.5177.6-107.85.5114.6P183 E334 P349P183-R351 HydrophobicContact CB-CG 3.85Å; P183-R351 HydrophobicContact CG-CG 3.61Å; E334-R351 WeakPolarHBondContact OE1-CD 3.29Å; E334-R351 WeakPolarHBondContact OE1-CG 3.44Å; E334-R351 IonicContact OE1-NE 2.68Å; E334-R351 IonicContact OE2-NE 3.62Å; P349-R351 PolarHBondContact O-N 3.34Å
352D93.2Very high94.8Very high81 Ų8169.4 Ų69.443%0.43336%0.363SS..THydrogen-bonded Turntrans-105.2-1-169.8-57-43000113.3S350 A354 V355 A356S350-D352 VanDerWaalsContact C-N 3.27Å; S350-D352 PolarHBondContact O-N 3Å; S350-D352 VanDerWaalsContact O-N 3.13Å; D352-A354 PolarHBondContact O-N 3.27Å; D352-V355 PolarHBondContact O-N 3.18Å; D352-A356 WeakPolarHBondContact O-CB 3.37Å; D352-A356 PolarHBondContact O-N 2.91Å
353W94.8Very high94.6Very high117 Ų11764.6 Ų64.644%0.44334%0.343SS..Hα-helixtrans-60.8-48.8-170.2177.5-102.6000113.8E314 S350 V355 A356 N357E314-W353 VanDerWaalsContact CG-CD1 3.49Å; E314-W353 HydrophobicContact CG-CG 4.49Å; E314-W353 PolarHBondContact OE1-NE1 3.23Å; S350-W353 PolarHBondContact O-N 3.5Å; S350-W353 WeakPolarHBondContact OG-CB 3.43Å; W353-V355 VanDerWaalsContact C-N 3.31Å; W353-V355 PolarHBondContact O-N 3.48Å; W353-A356 PolarHBondContact O-N 3.21Å; W353-N357 VanDerWaalsContact O-CB 3.29Å; W353-N357 WeakPolarHBondContact O-CB 3.35Å; W353-N357 PolarHBondContact O-N 2.65Å
354A94.6Very high94.3Very high1 Ų160.3 Ų60.31%0.00834%0.34CS..Hα-helixtrans-63.4-38.618000000111.9F182 E314 D352 N357 Y358F182-A354 HydrophobicContact CD1-CB 3.92Å; F182-A354 HydrophobicContact CE1-CB 3.29Å; F182-A354 HydrophobicContact CE2-CB 4.07Å; F182-A354 HydrophobicContact CZ-CB 3.38Å; E314-A354 WeakPolarHBondContact O-CB 3.45Å; D352-A354 PolarHBondContact O-N 3.27Å; A354-N357 PolarHBondContact O-N 3.01Å; A354-Y358 HydrophobicContact CB-CD2 4.21Å; A354-Y358 VanDerWaalsContact O-CB 3.3Å; A354-Y358 WeakPolarHBondContact O-CB 3.44Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 3.36Å
355V95.3Very high94.2Very high37 Ų3759.7 Ų59.722%0.22435%0.351CS..Hα-helixtrans-69-44.5177-178.70000110.6F182 L185 D352 W353 N357 Y358 G359F182-V355 HydrophobicContact CB-CG2 3.45Å; F182-V355 VanDerWaalsContact CB-CG2 3.45Å; F182-V355 HydrophobicContact CD2-CG2 4.12Å; F182-V355 HydrophobicContact CG-CG2 3.82Å; L185-V355 HydrophobicContact CD1-CG1 4.16Å; L185-V355 HydrophobicContact CD1-CG2 3.7Å; L185-V355 HydrophobicContact CG-CG2 4.43Å; D352-V355 PolarHBondContact O-N 3.18Å; W353-V355 VanDerWaalsContact C-N 3.31Å; W353-V355 PolarHBondContact O-N 3.48Å; V355-N357 VanDerWaalsContact C-N 3.29Å; V355-N357 PolarHBondContact O-N 3.27Å; V355-Y358 PolarHBondContact O-N 3.47Å; V355-G359 VanDerWaalsContact O-CA 3.31Å; V355-G359 WeakPolarHBondContact O-CA 3.42Å; V355-G359 PolarHBondContact O-N 2.93Å
356A95.2Very high94.2Very high88 Ų8858.3 Ų58.373%0.72735%0.347SS*.Hα-helixtrans-62-37.3176.800000112.1D352 W353D352-A356 WeakPolarHBondContact O-CB 3.37Å; D352-A356 PolarHBondContact O-N 2.91Å; W353-A356 PolarHBondContact O-N 3.21Å
357N95Very high94.3Very high40 Ų4058.2 Ų58.221%0.21434%0.335CS..Hα-helixtrans-82.3-34.8-178.6-159.823.6000112.8S121 K164 W353 A354 V355S121-N357 PolarHBondContact OG-ND2 3.4Å; K164-N357 WeakPolarHBondContact CE-O 3.41Å; K164-N357 WeakPolarHBondContact CE-OD1 3.39Å; K164-N357 PolarHBondContact NZ-O 2.77Å; K164-N357 PolarHBondContact NZ-OD1 2.89Å; W353-N357 VanDerWaalsContact O-CB 3.29Å; W353-N357 WeakPolarHBondContact O-CB 3.35Å; W353-N357 PolarHBondContact O-N 2.65Å; A354-N357 PolarHBondContact O-N 3.01Å; V355-N357 VanDerWaalsContact C-N 3.29Å; V355-N357 PolarHBondContact O-N 3.27Å
358Y96.3Very high94.4Very high7 Ų757.3 Ų57.33%0.02733%0.329CS..Hα-helixtrans-120.3-4-168.4-51.3-59.3000115.6S120 S121 L124 W160 K164 A354 V355 G360S120-Y358 WeakPolarHBondContact CB-OH 3.48Å; S120-Y358 PolarHBondContact OG-OH 2.98Å; S121-Y358 PolarHBondContact N-OH 3.38Å; S121-Y358 PolarHBondContact OG-OH 3.16Å; L124-Y358 HydrophobicContact CD1-CE1 3.59Å; W160-Y358 HydrophobicContact CB-CD1 3.85Å; W160-Y358 HydrophobicContact CB-CE1 4.04Å; W160-Y358 HydrophobicContact CB-CG 4.47Å; W160-Y358 AromaticContact CD1-CD1 3.89Å; W160-Y358 AromaticContact CD1-CG 3.7Å; W160-Y358 AromaticContact CD2-CD1 3.82Å; W160-Y358 HydrophobicContact CD2-CD1 3.82Å; W160-Y358 AromaticContact CD2-CD2 3.65Å; W160-Y358 HydrophobicContact CD2-CD2 3.65Å; W160-Y358 HydrophobicContact CD2-CE1 4.05Å; W160-Y358 AromaticContact CD2-CE2 3.89Å; W160-Y358 HydrophobicContact CD2-CE2 3.89Å; W160-Y358 AromaticContact CD2-CG 3.63Å; W160-Y358 HydrophobicContact CD2-CG 3.63Å; W160-Y358 AromaticContact CE2-CD2 3.45Å; W160-Y358 VanDerWaalsContact CE2-CD2 3.45Å; W160-Y358 AromaticContact CE2-CG 3.55Å; W160-Y358 HydrophobicContact CE3-CD1 4.37Å; W160-Y358 AromaticContact CE3-CD2 3.94Å; W160-Y358 HydrophobicContact CE3-CD2 3.94Å; W160-Y358 HydrophobicContact CE3-CE1 4.15Å; W160-Y358 AromaticContact CE3-CE2 3.69Å; W160-Y358 HydrophobicContact CE3-CE2 3.69Å; W160-Y358 HydrophobicContact CE3-CG 4.28Å; W160-Y358 AromaticContact CE3-CZ 3.8Å; W160-Y358 AromaticContact CG-CD1 3.57Å; W160-Y358 HydrophobicContact CG-CD1 3.57Å; W160-Y358 HydrophobicContact CG-CD2 4.24Å; W160-Y358 HydrophobicContact CG-CE1 4.03Å; W160-Y358 AromaticContact CG-CG 3.7Å; W160-Y358 HydrophobicContact CG-CG 3.7Å; W160-Y358 AromaticContact CH2-CD2 3.78Å; W160-Y358 HydrophobicContact CH2-CD2 3.78Å; W160-Y358 AromaticContact CH2-CE2 3.81Å; W160-Y358 HydrophobicContact CH2-CE2 3.81Å; W160-Y358 AromaticContact CZ2-CD2 3.52Å; W160-Y358 HydrophobicContact CZ2-CD2 3.52Å; W160-Y358 HydrophobicContact CZ2-CE2 4.05Å; W160-Y358 HydrophobicContact CZ2-CG 4.09Å; W160-Y358 HydrophobicContact CZ3-CD2 4Å; W160-Y358 AromaticContact CZ3-CE2 3.65Å; W160-Y358 HydrophobicContact CZ3-CE2 3.65Å; W160-Y358 VanDerWaalsContact NE1-CB 3.33Å; W160-Y358 AromaticContact NE1-CD2 3.98Å; W160-Y358 AromaticContact NE1-CG 3.62Å; K164-Y358 HydrophobicContact CG-CD1 4.47Å; K164-Y358 HydrophobicContact CG-CE1 4.41Å; A354-Y358 HydrophobicContact CB-CD2 4.21Å; A354-Y358 VanDerWaalsContact O-CB 3.3Å; A354-Y358 WeakPolarHBondContact O-CB 3.44Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 3.36Å; V355-Y358 PolarHBondContact O-N 3.47Å; Y358-G360 PolarHBondContact O-N 3.27Å
359G93.5Very high94.5Very high21 Ų2151.6 Ų51.622%0.21630%0.302CS..  trans90.5-20.3171.300000115.8V355 R361 S362V355-G359 VanDerWaalsContact O-CA 3.31Å; V355-G359 WeakPolarHBondContact O-CA 3.42Å; V355-G359 PolarHBondContact O-N 2.93Å; G359-R361 PolarHBondContact O-N 3.16Å; G359-S362 WeakPolarHBondContact O-CB 3.35Å; G359-S362 PolarHBondContact O-N 2.81Å
360G92.9Very high94.6Very high3 Ų350.3 Ų50.33%0.03129%0.294CS..THydrogen-bonded Turntrans58.4-110.3-177.900000111.9Y358Y358-G360 PolarHBondContact O-N 3.27Å
361R93.4Very high94.8Very high105 Ų10547.7 Ų47.740%0.39628%0.276SS..THydrogen-bonded Turntrans-86.7-14.1173.7-69.9-171.3167.269.23.2114.1A180 L185 T186 G359 L363A180-R361 HydrophobicContact CB-CG 3.89Å; A180-R361 VanDerWaalsContact CB-CZ 3.43Å; A180-R361 PolarHBondContact O-NH1 2.95Å; L185-R361 VanDerWaalsContact CB-NH1 3.3Å; L185-R361 PolarHBondContact O-NH1 3.45Å; T186-R361 PolarHBondContact OG1-NH1 3.36Å; T186-R361 PolarHBondContact OG1-NH2 2.95Å; G359-R361 PolarHBondContact O-N 3.16Å; R361-L363 VanDerWaalsContact C-N 3.33Å; R361-L363 PolarHBondContact O-N 3.3Å
362S92.6Very high95.1Very high99 Ų9943 Ų4369%0.69226%0.258SS*.  trans-81.377-178.5-61.40000111G359G359-S362 WeakPolarHBondContact O-CB 3.35Å; G359-S362 PolarHBondContact O-N 2.81Å
363L92.1Very high95.3Very high13 Ų1339.2 Ų39.27%0.06824%0.237CC..  trans-115.715.2-172.5-56.4177.6000114.4I163 R361 S365 V366 F371 I384 I391I163-L363 HydrophobicContact CD1-CD2 4.01Å; R361-L363 VanDerWaalsContact C-N 3.33Å; R361-L363 PolarHBondContact O-N 3.3Å; L363-S365 PolarHBondContact O-N 3.06Å; L363-S365 VanDerWaalsContact O-N 3.15Å; L363-V366 HydrophobicContact CB-CB 4.37Å; L363-V366 HydrophobicContact CB-CG2 4.36Å; L363-V366 HydrophobicContact CD2-CG2 4.22Å; L363-V366 VanDerWaalsContact O-CB 3.32Å; L363-V366 WeakPolarHBondContact O-CB 3.46Å; L363-V366 PolarHBondContact O-N 3.28Å; L363-F371 HydrophobicContact CD1-CE2 3.96Å; L363-F371 HydrophobicContact CD1-CZ 3.98Å; L363-I384 HydrophobicContact CD1-CD1 3.79Å; L363-I384 HydrophobicContact CD1-CG1 3.9Å; L363-I391 HydrophobicContact CB-CD1 3.42Å; L363-I391 VanDerWaalsContact CB-CD1 3.42Å; L363-I391 HydrophobicContact CD1-CD1 3.95Å; L363-I391 HydrophobicContact CG-CD1 4.3Å
364S90.7Very high95.5Very high90 Ų9033.6 Ų33.663%0.62922%0.216SC*.THydrogen-bonded Turntrans-63.2-22.3-172.556.80000115.4
365S92.5Very high95.6Very high109 Ų10938.9 Ų38.976%0.76224%0.236SC*.THydrogen-bonded Turntrans-91.2-6.4175.560.50000113.5L363L363-S365 PolarHBondContact O-N 3.06Å; L363-S365 VanDerWaalsContact O-N 3.15Å
366V94.7Very high95.6Very high15 Ų1537.4 Ų37.49%0.09123%0.227CC..  trans-90.2140.8-172.61790000109.7I163 L363 I369 I391I163-V366 HydrophobicContact CD1-CG1 4.4Å; I163-V366 HydrophobicContact CD1-CG2 4.32Å; I163-V366 HydrophobicContact CG1-CB 4.46Å; I163-V366 HydrophobicContact CG1-CG1 3.69Å; I163-V366 HydrophobicContact CG1-CG2 3.85Å; L363-V366 HydrophobicContact CB-CB 4.37Å; L363-V366 HydrophobicContact CB-CG2 4.36Å; L363-V366 HydrophobicContact CD2-CG2 4.22Å; L363-V366 VanDerWaalsContact O-CB 3.32Å; L363-V366 WeakPolarHBondContact O-CB 3.46Å; L363-V366 PolarHBondContact O-N 3.28Å; V366-I369 HydrophobicContact CG1-CD1 3.35Å; V366-I369 HydrophobicContact CG1-CG1 4.01Å; V366-I391 HydrophobicContact CB-CD1 4.02Å; V366-I391 HydrophobicContact CG1-CD1 4.18Å
367T97Very high95.8Very high50 Ų5033.2 Ų33.231%0.30719%0.192SC..  trans-133.4155.9-177.756.70000111.6R162 G390R162-T367 PolarHBondContact NE-O 3.4Å; R162-T367 PolarHBondContact NH2-O 3.04Å; R162-T367 PolarHBondContact NH2-OG1 3.46Å; T367-G390 CarbonylContact C-O 3.58Å; T367-G390 WeakPolarHBondContact CA-O 3.33Å
368N98.1Very high95.9Very high23 Ų2331.3 Ų31.312%0.12318%0.182CC..SBendtrans63.146.5174.8-58.7-4.9000113.4D170 G171 A172 G390 W430D170-N368 WeakPolarHBondContact O-CB 3.47Å; D170-N368 PolarHBondContact O-ND2 3.47Å; G171-N368 CarbonylContact C-O 3.57Å; G171-N368 WeakPolarHBondContact CA-O 3.47Å; A172-N368 PolarHBondContact N-O 2.85Å; N368-G390 PolarHBondContact N-O 3.02Å; N368-W430 VanDerWaalsContact C-CZ2 3.44Å; N368-W430 HydrophobicContact CB-CD2 4.16Å; N368-W430 HydrophobicContact CB-CG 4.14Å; N368-W430 HydrophobicContact CB-CZ2 4.26Å; N368-W430 WeakPolarHBondContact O-CZ2 3.37Å; N368-W430 PolarHBondContact OD1-NE1 2.96Å
369I98.5Very high95.9Very high1 Ų133.1 Ų33.11%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-123.4132.6170.3-51.6-177000109.4A159 R162 I163 A172 A174 V366 F371 I391 A392A159-I369 HydrophobicContact CB-CD1 4.24Å; A159-I369 HydrophobicContact CB-CG2 4.36Å; R162-I369 HydrophobicContact CB-CD1 4.04Å; R162-I369 HydrophobicContact CB-CG1 4.09Å; R162-I369 HydrophobicContact CG-CD1 3.95Å; R162-I369 HydrophobicContact CG-CG1 3.67Å; I163-I369 HydrophobicContact CD1-CD1 4.4Å; I163-I369 HydrophobicContact CG1-CD1 4.05Å; A172-I369 HydrophobicContact CB-CG1 4.36Å; A172-I369 HydrophobicContact CB-CG2 4.38Å; A172-I369 WeakPolarHBondContact O-CA 3.46Å; A174-I369 HydrophobicContact CB-CG2 4.25Å; V366-I369 HydrophobicContact CG1-CD1 3.35Å; V366-I369 HydrophobicContact CG1-CG1 4.01Å; I369-F371 HydrophobicContact CB-CE2 4.01Å; I369-F371 HydrophobicContact CB-CZ 4.47Å; I369-F371 HydrophobicContact CD1-CZ 4.47Å; I369-F371 HydrophobicContact CG2-CD1 4.46Å; I369-F371 HydrophobicContact CG2-CD2 3.85Å; I369-F371 HydrophobicContact CG2-CE1 4.13Å; I369-F371 HydrophobicContact CG2-CE2 3.46Å; I369-F371 VanDerWaalsContact CG2-CE2 3.46Å; I369-F371 HydrophobicContact CG2-CG 4.34Å; I369-F371 HydrophobicContact CG2-CZ 3.62Å; I369-I391 HydrophobicContact CB-CG1 4.44Å; I369-I391 WeakPolarHBondContact O-CA 3.32Å; I369-A392 PolarHBondContact O-N 3.11Å
370V98.7Very high96.1Very high1 Ų133 Ų331%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-104.1122.3164.8173.70000107.4A172 L173 A174 A392 L394 E423 F426 W430A172-V370 PolarHBondContact O-N 3.06Å; L173-V370 HydrophobicContact CD1-CB 3.72Å; L173-V370 HydrophobicContact CD1-CG1 3.53Å; A174-V370 PolarHBondContact N-O 2.87Å; V370-A392 CarbonylContact C-O 3.46Å; V370-A392 WeakPolarHBondContact CA-O 3.3Å; V370-A392 HydrophobicContact CG2-CB 4.17Å; V370-L394 HydrophobicContact CG1-CD1 3.56Å; V370-L394 HydrophobicContact CG1-CG 3.87Å; V370-E423 HydrophobicContact CG1-CG 4.32Å; V370-F426 HydrophobicContact CG2-CB 3.83Å; V370-F426 HydrophobicContact CG2-CD1 4.23Å; V370-F426 HydrophobicContact CG2-CD2 3.54Å; V370-F426 HydrophobicContact CG2-CE2 4.15Å; V370-F426 HydrophobicContact CG2-CG 3.61Å; V370-W430 HydrophobicContact CB-CH2 4.27Å; V370-W430 HydrophobicContact CG2-CH2 3.66Å; V370-W430 HydrophobicContact CG2-CZ2 3.79Å
371F98.6Very high96.3Very high2 Ų233.1 Ų33.11%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-100.5105.9167.3-66.4-83.5000108.4A159 A174 A177 V179 L363 I369 I384 I391 A392 S393 L394A159-F371 HydrophobicContact CB-CE1 3.78Å; A159-F371 HydrophobicContact CB-CZ 3.92Å; A174-F371 HydrophobicContact CB-CD1 3.68Å; A174-F371 HydrophobicContact CB-CE1 3.83Å; A174-F371 HydrophobicContact CB-CG 4.5Å; A174-F371 WeakPolarHBondContact O-CA 3.13Å; A177-F371 HydrophobicContact CB-CD1 4.42Å; V179-F371 HydrophobicContact CG1-CE1 4.04Å; V179-F371 HydrophobicContact CG2-CE1 3.92Å; V179-F371 HydrophobicContact CG2-CZ 4.42Å; L363-F371 HydrophobicContact CD1-CE2 3.96Å; L363-F371 HydrophobicContact CD1-CZ 3.98Å; I369-F371 HydrophobicContact CB-CE2 4.01Å; I369-F371 HydrophobicContact CB-CZ 4.47Å; I369-F371 HydrophobicContact CD1-CZ 4.47Å; I369-F371 HydrophobicContact CG2-CD1 4.46Å; I369-F371 HydrophobicContact CG2-CD2 3.85Å; I369-F371 HydrophobicContact CG2-CE1 4.13Å; I369-F371 HydrophobicContact CG2-CE2 3.46Å; I369-F371 VanDerWaalsContact CG2-CE2 3.46Å; I369-F371 HydrophobicContact CG2-CG 4.34Å; I369-F371 HydrophobicContact CG2-CZ 3.62Å; F371-I384 HydrophobicContact CB-CB 4Å; F371-I384 HydrophobicContact CD1-CB 4.35Å; F371-I384 HydrophobicContact CD1-CG1 4.06Å; F371-I384 HydrophobicContact CD2-CB 3.82Å; F371-I384 HydrophobicContact CD2-CG1 3.85Å; F371-I384 HydrophobicContact CD2-CG2 4.13Å; F371-I384 HydrophobicContact CE1-CG1 4.11Å; F371-I384 HydrophobicContact CE2-CB 4.38Å; F371-I384 HydrophobicContact CE2-CG1 3.92Å; F371-I384 HydrophobicContact CG-CB 3.8Å; F371-I384 HydrophobicContact CG-CG1 3.93Å; F371-I384 HydrophobicContact CZ-CG1 4.04Å; F371-I391 HydrophobicContact CD2-CG2 3.5Å; F371-I391 VanDerWaalsContact CD2-CG2 3.5Å; F371-I391 HydrophobicContact CE2-CD1 4.29Å; F371-I391 HydrophobicContact CE2-CG2 3.7Å; F371-A392 PolarHBondContact N-O 3.19Å; F371-S393 CarbonylContact O-C 3.6Å; F371-S393 WeakPolarHBondContact O-CA 3.46Å; F371-L394 PolarHBondContact O-N 3.13Å
372S98.8Very high96.5Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-92.9142.2172.450.90000109.7A174 A175 S176 L394 D404 E423A174-S372 PolarHBondContact O-N 3.03Å; A175-S372 VanDerWaalsContact CA-OG 3.23Å; A175-S372 WeakPolarHBondContact CA-OG 3.32Å; A175-S372 WeakPolarHBondContact CB-OG 3.13Å; S176-S372 WeakPolarHBondContact CA-O 3.3Å; S176-S372 PolarHBondContact N-O 3.22Å; S372-L394 CarbonylContact C-O 3.18Å; S372-L394 VanDerWaalsContact CA-O 3.25Å; S372-L394 WeakPolarHBondContact CA-O 3.4Å; S372-D404 WeakPolarHBondContact CB-OD2 3.49Å; S372-D404 PolarHBondContact OG-OD2 3.11Å; S372-E423 WeakPolarHBondContact CB-OE1 3.25Å
373N98.7Very high96.7Very high1 Ų123.5 Ų23.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-139.5141172.6-67.5-90.6000110.7R380 I384 L385 L394 I395 V396N373-R380 HydrophobicContact CB-CB 4.24Å; N373-R380 HydrophobicContact CB-CG 3.95Å; N373-I384 PolarHBondContact ND2-O 2.9Å; N373-L385 HydrophobicContact CB-CD2 4.44Å; N373-L394 PolarHBondContact N-O 2.84Å; N373-I395 HydrophobicContact CB-CD1 3.91Å; N373-I395 CarbonylContact O-C 3.44Å; N373-I395 VanDerWaalsContact O-CA 3.3Å; N373-I395 WeakPolarHBondContact O-CA 3.31Å; N373-V396 PolarHBondContact O-N 2.68Å
374G98.2Very high96.9Very high0 Ų023.7 Ų23.70%013%0.134CC..EExtended strand (participates in β ladder)trans-74.6136.8166.600000111.5L376 D377 R380 G399G374-L376 PolarHBondContact O-N 3.03Å; G374-D377 VanDerWaalsContact O-CB 3.31Å; G374-D377 WeakPolarHBondContact O-CB 3.3Å; G374-D377 PolarHBondContact O-N 3.5Å; G374-R380 WeakPolarHBondContact O-CD 3.49Å; G374-G399 CarbonylContact C-O 3.59Å; G374-G399 WeakPolarHBondContact CA-O 3.13Å
375W97.1Very high97.2Very high112 Ų11223.6 Ų23.642%0.42413%0.125SC..THydrogen-bonded Turntrans-64.7-32.3175.1-169.5-93.1000112.1D377 R380 I395 V396 E397 G399W375-D377 VanDerWaalsContact C-N 3.29Å; W375-R380 VanDerWaalsContact CD2-CZ 3.5Å; W375-R380 VanDerWaalsContact CE2-NH1 3.31Å; W375-R380 PolarHBondContact O-NE 3.11Å; W375-R380 VanDerWaalsContact O-NE 3.15Å; W375-R380 PolarHBondContact O-NH2 3.48Å; W375-I395 HydrophobicContact CB-CG2 4.34Å; W375-I395 HydrophobicContact CE3-CG2 3.81Å; W375-V396 PolarHBondContact N-O 3.17Å; W375-E397 WeakPolarHBondContact CB-O 3.45Å; W375-G399 PolarHBondContact N-O 2.64Å
376L96.1Very high97.3Very high5 Ų522.4 Ų22.43%0.02612%0.117CC..THydrogen-bonded Turntrans-81.7-11.4178.6-49.3-176.9000112.5L202 W250 G374 P378 D398 G399L202-L376 HydrophobicContact CD1-CD2 3.37Å; W250-L376 HydrophobicContact CZ3-CD1 3.93Å; G374-L376 PolarHBondContact O-N 3.03Å; L376-P378 VanDerWaalsContact O-CD 3.3Å; L376-P378 WeakPolarHBondContact O-CD 3.06Å; L376-D398 VanDerWaalsContact CD1-O 3.31Å; L376-D398 WeakPolarHBondContact CD1-O 3.24Å; L376-G399 WeakPolarHBondContact CA-O 3.41Å; L376-G399 VanDerWaalsContact CB-O 3.31Å; L376-G399 WeakPolarHBondContact CB-O 3.27Å; L376-G399 PolarHBondContact N-O 3.38Å
377D97.8Very high97.3Very high0 Ų025.4 Ų25.40%014%0.139CC..  trans-73.7118.5-178.1-1766.1000111.5S176 G374 W375 W379 R380 H401S176-D377 WeakPolarHBondContact CB-OD2 3.21Å; S176-D377 PolarHBondContact OG-OD2 2.85Å; G374-D377 VanDerWaalsContact O-CB 3.31Å; G374-D377 WeakPolarHBondContact O-CB 3.3Å; G374-D377 PolarHBondContact O-N 3.5Å; W375-D377 VanDerWaalsContact C-N 3.29Å; D377-W379 PolarHBondContact O-N 3.47Å; D377-W379 WeakPolarHBondContact OD1-CB 3.5Å; D377-W379 PolarHBondContact OD1-N 2.89Å; D377-R380 WeakPolarHBondContact O-CB 3.41Å; D377-R380 PolarHBondContact O-N 3.22Å; D377-R380 VanDerWaalsContact O-N 3.11Å; D377-H401 IonicContact OD1-CG 3.3Å; D377-H401 IonicContact OD1-ND1 3.35Å; D377-H401 PolarHBondContact OD1-ND1 3.06Å; D377-H401 VanDerWaalsContact OD1-ND1 3.12Å; D377-H401 IonicContact OD2-CE1 3.55Å; D377-H401 IonicContact OD2-CG 3.64Å; D377-H401 IonicContact OD2-ND1 2.91Å; D377-H401 PolarHBondContact OD2-ND1 3.18Å
378P96.7Very high97Very high1 Ų127.8 Ų27.81%0.00615%0.15CC..G310 helixtrans-56.2-32.5173.4-28.439.6000113.9F191 T195 A233 L376 R380 G381F191-P378 HydrophobicContact CD1-CB 4.12Å; F191-P378 HydrophobicContact CD2-CB 3.53Å; F191-P378 HydrophobicContact CE1-CB 3.98Å; F191-P378 HydrophobicContact CE2-CB 3.37Å; F191-P378 HydrophobicContact CE2-CG 4.43Å; F191-P378 HydrophobicContact CG-CB 3.91Å; F191-P378 HydrophobicContact CZ-CB 3.61Å; F191-P378 HydrophobicContact CZ-CG 4.31Å; T195-P378 WeakPolarHBondContact OG1-CB 3.34Å; T195-P378 WeakPolarHBondContact OG1-CG 3.2Å; A233-P378 HydrophobicContact CB-CG 3.62Å; L376-P378 VanDerWaalsContact O-CD 3.3Å; L376-P378 WeakPolarHBondContact O-CD 3.06Å; P378-R380 PolarHBondContact O-N 2.8Å; P378-G381 PolarHBondContact O-N 2.97Å
379W98Very high96.6Very high45 Ų4533.8 Ų33.817%0.1718%0.177CC..G310 helixtrans-69.5-16179.7-72.6109.9000113.8P178 Q181 F191 M234 M317 D377 G381 G382 H401P178-W379 HydrophobicContact CB-CE3 3.77Å; P178-W379 HydrophobicContact CB-CZ3 4.45Å; P178-W379 HydrophobicContact CG-CD2 4.34Å; P178-W379 HydrophobicContact CG-CE3 3.77Å; P178-W379 HydrophobicContact CG-CZ3 4.3Å; Q181-W379 HydrophobicContact CG-CZ3 4.15Å; F191-W379 AromaticContact CD2-CD2 3.93Å; F191-W379 HydrophobicContact CD2-CD2 3.93Å; F191-W379 HydrophobicContact CD2-CE3 4.07Å; F191-W379 HydrophobicContact CD2-CG 4.31Å; F191-W379 HydrophobicContact CD2-CZ2 4.47Å; F191-W379 HydrophobicContact CD2-CZ3 4.42Å; F191-W379 AromaticContact CE2-CD1 3.81Å; F191-W379 AromaticContact CE2-CD2 3.61Å; F191-W379 HydrophobicContact CE2-CD2 3.61Å; F191-W379 AromaticContact CE2-CE2 3.43Å; F191-W379 VanDerWaalsContact CE2-CE2 3.43Å; F191-W379 HydrophobicContact CE2-CE3 4.19Å; F191-W379 AromaticContact CE2-CG 3.87Å; F191-W379 HydrophobicContact CE2-CG 3.87Å; F191-W379 HydrophobicContact CE2-CH2 4.42Å; F191-W379 AromaticContact CE2-CZ2 3.87Å; F191-W379 HydrophobicContact CE2-CZ2 3.87Å; F191-W379 AromaticContact CE2-NE1 3.57Å; M234-W379 PolarHBondContact SD-NE1 2.77Å; M317-W379 HydrophobicContact SD-CH2 4.4Å; M317-W379 HydrophobicContact SD-CZ3 4.06Å; D377-W379 PolarHBondContact O-N 3.47Å; D377-W379 WeakPolarHBondContact OD1-CB 3.5Å; D377-W379 PolarHBondContact OD1-N 2.89Å; W379-G381 PolarHBondContact O-N 3.24Å; W379-G382 PolarHBondContact O-N 3.11Å; W379-H401 AromaticContact CD1-CE1 3.33Å; W379-H401 AromaticContact CD1-ND1 3.59Å; W379-H401 AromaticContact CG-CE1 3.81Å
380R97.5Very high96.2Very high17 Ų1735.2 Ų35.26%0.06419%0.192CC..G310 helixtrans-51.3-33.4174.7176.7174.755.4128.8-7.2112.6S198 N373 G374 W375 D377 P378 G382 G383 L385S198-R380 PolarHBondContact OG-NH2 3.03Å; S198-R380 VanDerWaalsContact OG-NH2 3.16Å; N373-R380 HydrophobicContact CB-CB 4.24Å; N373-R380 HydrophobicContact CB-CG 3.95Å; G374-R380 WeakPolarHBondContact O-CD 3.49Å; W375-R380 VanDerWaalsContact CD2-CZ 3.5Å; W375-R380 VanDerWaalsContact CE2-NH1 3.31Å; W375-R380 PolarHBondContact O-NE 3.11Å; W375-R380 VanDerWaalsContact O-NE 3.15Å; W375-R380 PolarHBondContact O-NH2 3.48Å; D377-R380 WeakPolarHBondContact O-CB 3.41Å; D377-R380 PolarHBondContact O-N 3.22Å; D377-R380 VanDerWaalsContact O-N 3.11Å; P378-R380 PolarHBondContact O-N 2.8Å; R380-G382 PolarHBondContact O-N 3.49Å; R380-G383 PolarHBondContact O-N 3.47Å; R380-L385 HydrophobicContact CG-CD1 4.32Å; R380-L385 HydrophobicContact CG-CD2 3.52Å
381G96Very high96.1Very high7 Ų735.6 Ų35.67%0.07219%0.194CC..G310 helixtrans-55.4-35.4178.300000113.9T186 T190 P378 W379T186-G381 VanDerWaalsContact CG2-O 3.24Å; T186-G381 WeakPolarHBondContact CG2-O 3.1Å; T190-G381 VanDerWaalsContact CG2-CA 3.47Å; P378-G381 PolarHBondContact O-N 2.97Å; W379-G381 PolarHBondContact O-N 3.24Å
382G97.3Very high96Very high0 Ų036 Ų360%020%0.197CC..G310 helixtrans-90.11.8177.100000114.4P178 V179 A180 Q181 W379 R380P178-G382 CarbonylContact C-O 3.58Å; P178-G382 WeakPolarHBondContact CA-O 3.23Å; V179-G382 PolarHBondContact N-O 3.42Å; A180-G382 CarbonylContact C-O 3.49Å; A180-G382 VanDerWaalsContact CA-O 3.24Å; A180-G382 WeakPolarHBondContact CA-O 3.5Å; A180-G382 WeakPolarHBondContact CB-O 3.44Å; A180-G382 PolarHBondContact N-O 3.43Å; Q181-G382 PolarHBondContact N-O 3.26Å; W379-G382 PolarHBondContact O-N 3.11Å; R380-G382 PolarHBondContact O-N 3.49Å
383G97.3Very high96Very high2 Ų236.8 Ų36.82%0.02120%0.203CC..SBendtrans-85.3179.6-177.400000114.1R380R380-G383 PolarHBondContact O-N 3.47Å
384I97.3Very high96Very high16 Ų1637.6 Ų37.68%0.08221%0.207CC..  trans-91119.1166.1-54.7-55.8000107.9V179 L363 F371 N373 S386 S393V179-I384 HydrophobicContact CG2-CD1 3.78Å; V179-I384 HydrophobicContact CG2-CG1 3.67Å; L363-I384 HydrophobicContact CD1-CD1 3.79Å; L363-I384 HydrophobicContact CD1-CG1 3.9Å; F371-I384 HydrophobicContact CB-CB 4Å; F371-I384 HydrophobicContact CD1-CB 4.35Å; F371-I384 HydrophobicContact CD1-CG1 4.06Å; F371-I384 HydrophobicContact CD2-CB 3.82Å; F371-I384 HydrophobicContact CD2-CG1 3.85Å; F371-I384 HydrophobicContact CD2-CG2 4.13Å; F371-I384 HydrophobicContact CE1-CG1 4.11Å; F371-I384 HydrophobicContact CE2-CB 4.38Å; F371-I384 HydrophobicContact CE2-CG1 3.92Å; F371-I384 HydrophobicContact CG-CB 3.8Å; F371-I384 HydrophobicContact CG-CG1 3.93Å; F371-I384 HydrophobicContact CZ-CG1 4.04Å; N373-I384 PolarHBondContact ND2-O 2.9Å; I384-S386 WeakPolarHBondContact CG2-O 3.31Å; I384-S393 PolarHBondContact O-OG 3.47Å
385L95.8Very high96Very high88 Ų8839.9 Ų39.946%0.46122%0.219SC..  trans-113.45.7-171.8-54.7-178.7000113.9N373 R380 S393 I395N373-L385 HydrophobicContact CB-CD2 4.44Å; R380-L385 HydrophobicContact CG-CD1 4.32Å; R380-L385 HydrophobicContact CG-CD2 3.52Å; L385-S393 VanDerWaalsContact CA-OG 3.31Å; L385-S393 WeakPolarHBondContact CA-OG 3.33Å; L385-S393 PolarHBondContact O-OG 3.26Å; L385-I395 HydrophobicContact CD2-CD1 4.04Å
386S95Very high96Very high85 Ų8534.5 Ų34.559%0.59420%0.198SC*.SBendtrans-136.8136.9178.656.20000109.9I384 S393I384-S386 WeakPolarHBondContact CG2-O 3.31Å; S386-S393 VanDerWaalsContact C-CB 3.5Å; S386-S393 PolarHBondContact N-OG 2.96Å
387S95.4Very high96.1Very high77 Ų7741.3 Ų41.354%0.53823%0.23SC..  trans-72.8151.5172-58.90000110.8I391 S393S387-I391 WeakPolarHBondContact CA-O 3.31Å; S387-S393 PolarHBondContact OG-N 3.07Å
388D91Very high96Very high100 Ų10043 Ų4354%0.53524%0.239SC..BIsolated β-bridgetrans-144.5179.3174.9-163.72.7000109.5G390 I391D388-G390 PolarHBondContact O-N 3.17Å; D388-I391 PolarHBondContact N-O 3.22Å; D388-I391 PolarHBondContact O-N 2.99Å; D388-I391 VanDerWaalsContact O-N 3.08Å
389H87.8Confident96Very high149 Ų14943 Ų4369%0.6924%0.239SC*.THydrogen-bonded Turntrans-57.4110.9176.9-176.178.4000111.2
390G90.3Very high95.9Very high31 Ų3140.8 Ų40.832%0.3223%0.231SC..THydrogen-bonded Turntrans90.1-8.1178.200000115T367 N368 D388T367-G390 CarbonylContact C-O 3.58Å; T367-G390 WeakPolarHBondContact CA-O 3.33Å; N368-G390 PolarHBondContact N-O 3.02Å; D388-G390 PolarHBondContact O-N 3.17Å
391I96.6Very high95.9Very high10 Ų1040.5 Ų40.55%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-123.4134.2178.6-66.2172.6000110.3L363 V366 I369 F371 S387 D388L363-I391 HydrophobicContact CB-CD1 3.42Å; L363-I391 VanDerWaalsContact CB-CD1 3.42Å; L363-I391 HydrophobicContact CD1-CD1 3.95Å; L363-I391 HydrophobicContact CG-CD1 4.3Å; V366-I391 HydrophobicContact CB-CD1 4.02Å; V366-I391 HydrophobicContact CG1-CD1 4.18Å; I369-I391 HydrophobicContact CB-CG1 4.44Å; I369-I391 WeakPolarHBondContact O-CA 3.32Å; F371-I391 HydrophobicContact CD2-CG2 3.5Å; F371-I391 VanDerWaalsContact CD2-CG2 3.5Å; F371-I391 HydrophobicContact CE2-CD1 4.29Å; F371-I391 HydrophobicContact CE2-CG2 3.7Å; S387-I391 WeakPolarHBondContact CA-O 3.31Å; D388-I391 PolarHBondContact N-O 3.22Å; D388-I391 PolarHBondContact O-N 2.99Å; D388-I391 VanDerWaalsContact O-N 3.08Å
392A97.8Very high96Very high9 Ų940.9 Ų40.97%0.07423%0.23CC..EExtended strand (participates in β ladder)trans-109.9135.4172.100000110.7I369 V370 F371 F426I369-A392 PolarHBondContact O-N 3.11Å; V370-A392 CarbonylContact C-O 3.46Å; V370-A392 WeakPolarHBondContact CA-O 3.3Å; V370-A392 HydrophobicContact CG2-CB 4.17Å; F371-A392 PolarHBondContact N-O 3.19Å; A392-F426 HydrophobicContact CB-CE1 3.89Å; A392-F426 HydrophobicContact CB-CE2 3.78Å; A392-F426 HydrophobicContact CB-CZ 3.38Å
393S98.1Very high96.1Very high17 Ų1740.9 Ų40.912%0.11923%0.23CC..EExtended strand (participates in β ladder)trans-103.2121.7167.5172.90000109F371 I384 L385 S386 S387F371-S393 CarbonylContact O-C 3.6Å; F371-S393 WeakPolarHBondContact O-CA 3.46Å; I384-S393 PolarHBondContact O-OG 3.47Å; L385-S393 VanDerWaalsContact CA-OG 3.31Å; L385-S393 WeakPolarHBondContact CA-OG 3.33Å; L385-S393 PolarHBondContact O-OG 3.26Å; S386-S393 VanDerWaalsContact C-CB 3.5Å; S386-S393 PolarHBondContact N-OG 2.96Å; S387-S393 PolarHBondContact OG-N 3.07Å
394L98.5Very high96.2Very high19 Ų1940.8 Ų40.810%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-114.9139.9176.4-59.2-177.5000109.9V370 F371 S372 N373 V419 L422 E423 F426V370-L394 HydrophobicContact CG1-CD1 3.56Å; V370-L394 HydrophobicContact CG1-CG 3.87Å; F371-L394 PolarHBondContact O-N 3.13Å; S372-L394 CarbonylContact C-O 3.18Å; S372-L394 VanDerWaalsContact CA-O 3.25Å; S372-L394 WeakPolarHBondContact CA-O 3.4Å; N373-L394 PolarHBondContact N-O 2.84Å; L394-V419 HydrophobicContact CB-CG1 4.1Å; L394-V419 HydrophobicContact CD1-CG1 4.12Å; L394-L422 HydrophobicContact CD1-CB 3.96Å; L394-L422 HydrophobicContact CD2-CB 4.45Å; L394-L422 HydrophobicContact CD2-CD1 3.92Å; L394-E423 HydrophobicContact CD1-CG 3.81Å; L394-F426 HydrophobicContact CD1-CE2 4.44Å; L394-F426 HydrophobicContact CD2-CE2 4.46Å
395I98.3Very high96.2Very high47 Ų4740.2 Ų40.224%0.24123%0.226CC..EExtended strand (participates in β ladder)trans-122.3126.2-179.7-62.2-61.4000109.1N373 W375 L385 V419N373-I395 HydrophobicContact CB-CD1 3.91Å; N373-I395 CarbonylContact O-C 3.44Å; N373-I395 VanDerWaalsContact O-CA 3.3Å; N373-I395 WeakPolarHBondContact O-CA 3.31Å; W375-I395 HydrophobicContact CB-CG2 4.34Å; W375-I395 HydrophobicContact CE3-CG2 3.81Å; L385-I395 HydrophobicContact CD2-CD1 4.04Å; I395-V419 WeakPolarHBondContact O-CG2 3.14Å
396V98.4Very high96.3Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-91.2104168-170.10000107.5N373 W375 D398 G399 Y403 D404 V416 V419N373-V396 PolarHBondContact O-N 2.68Å; W375-V396 PolarHBondContact N-O 3.17Å; V396-D398 PolarHBondContact O-N 2.92Å; V396-D398 VanDerWaalsContact O-N 3.16Å; V396-G399 PolarHBondContact O-N 3.49Å; V396-Y403 HydrophobicContact CG1-CD1 3.92Å; V396-D404 HydrophobicContact CG2-CB 4.39Å; V396-V416 HydrophobicContact CG1-CB 3.84Å; V396-V416 HydrophobicContact CG1-CG2 4.28Å; V396-V419 HydrophobicContact CG2-CB 3.95Å; V396-V419 HydrophobicContact CG2-CG1 3.88Å; V396-V419 HydrophobicContact CG2-CG2 3.84Å
397E96.7Very high96.3Very high147 Ų14733.7 Ų33.769%0.68719%0.187SC*.THydrogen-bonded Turntrans-59.6-29.7-168.2-66.1-178.7171.800114.3W375 S415W375-E397 WeakPolarHBondContact CB-O 3.45Å; E397-S415 PolarHBondContact N-OG 3.39Å
398D95.4Very high96.3Very high36 Ų3635.1 Ų35.119%0.19319%0.188CC..THydrogen-bonded Turntrans-116.213.7176.162.8-4.4000112.6W250 L376 V396 T413 S415W250-D398 HydrophobicContact CH2-CB 4.2Å; L376-D398 VanDerWaalsContact CD1-O 3.31Å; L376-D398 WeakPolarHBondContact CD1-O 3.24Å; V396-D398 PolarHBondContact O-N 2.92Å; V396-D398 VanDerWaalsContact O-N 3.16Å; D398-T413 VanDerWaalsContact CG-OG1 3.31Å; D398-T413 WeakPolarHBondContact OD1-CB 3.41Å; D398-T413 PolarHBondContact OD1-OG1 2.91Å; D398-T413 WeakPolarHBondContact OD2-CB 3.38Å; D398-T413 WeakPolarHBondContact OD2-CG2 3.47Å; D398-T413 PolarHBondContact OD2-OG1 3.48Å; D398-S415 WeakPolarHBondContact OD1-CB 3.16Å
399G96.8Very high96.5Very high0 Ų033.4 Ų33.40%018%0.176CC..  trans-85.5141.3-177.300000113G374 W375 L376 V396G374-G399 CarbonylContact C-O 3.59Å; G374-G399 WeakPolarHBondContact CA-O 3.13Å; W375-G399 PolarHBondContact N-O 2.64Å; L376-G399 WeakPolarHBondContact CA-O 3.41Å; L376-G399 VanDerWaalsContact CB-O 3.31Å; L376-G399 WeakPolarHBondContact CB-O 3.27Å; L376-G399 PolarHBondContact N-O 3.38Å; V396-G399 PolarHBondContact O-N 3.49Å
400A97.1Very high96.9Very high0 Ų031.9 Ų31.90%018%0.18CC..  trans-90-153.5166.800000110.4M234 N236 Y237 H402M234-A400 WeakPolarHBondContact O-CB 3.39Å; N236-A400 HydrophobicContact CB-CB 3.98Å; Y237-A400 HydrophobicContact CD1-CB 4.08Å; Y237-A400 HydrophobicContact CE1-CB 3.99Å; A400-H402 PolarHBondContact O-N 3.35Å
401H98Very high97.3Very high10 Ų1036.7 Ų36.75%0.04619%0.192CC..THydrogen-bonded Turntrans-64.2119.7-173.6-159.657.1000111.9S152 S176 M234 Y237 D377 W379 Y403S152-H401 WeakPolarHBondContact CB-NE2 3.48Å; S152-H401 PolarHBondContact OG-NE2 3.37Å; S176-H401 WeakPolarHBondContact CB-ND1 3.45Å; M234-H401 HydrophobicContact CB-CB 3.97Å; M234-H401 WeakPolarHBondContact O-CB 3.45Å; M234-H401 PolarHBondContact O-N 3.46Å; Y237-H401 VanDerWaalsContact CE1-O 3.31Å; Y237-H401 WeakPolarHBondContact CE1-O 3.32Å; Y237-H401 PolarHBondContact OH-O 3.42Å; D377-H401 IonicContact OD1-CG 3.3Å; D377-H401 IonicContact OD1-ND1 3.35Å; D377-H401 PolarHBondContact OD1-ND1 3.06Å; D377-H401 VanDerWaalsContact OD1-ND1 3.12Å; D377-H401 IonicContact OD2-CE1 3.55Å; D377-H401 IonicContact OD2-CG 3.64Å; D377-H401 IonicContact OD2-ND1 2.91Å; D377-H401 PolarHBondContact OD2-ND1 3.18Å; W379-H401 AromaticContact CD1-CE1 3.33Å; W379-H401 AromaticContact CD1-ND1 3.59Å; W379-H401 AromaticContact CG-CE1 3.81Å; H401-Y403 PolarHBondContact O-N 3.38Å
402H98.2Very high97.3Very high15 Ų1537.2 Ų37.27%0.06920%0.195CC..THydrogen-bonded Turntrans38.546.3-179.557.257.4000114.5A175 S176 F243 A400 D404 L405A175-H402 HydrophobicContact CB-CB 3.75Å; S176-H402 PolarHBondContact OG-N 3.02Å; F243-H402 AromaticContact CE1-CE1 3.77Å; F243-H402 AromaticContact CE1-NE2 3.79Å; A400-H402 PolarHBondContact O-N 3.35Å; H402-D404 VanDerWaalsContact CA-OD1 3.29Å; H402-D404 WeakPolarHBondContact CA-OD1 3.33Å; H402-D404 PolarHBondContact O-N 2.79Å; H402-L405 HydrophobicContact CB-CD1 4.26Å; H402-L405 HydrophobicContact CB-CG 4.39Å; H402-L405 PolarHBondContact O-N 3Å; H402-L405 VanDerWaalsContact O-N 3.12Å
403Y98.3Very high97.3Very high0 Ų037.4 Ų37.40%020%0.195CC..G310 helixtrans-61.4-33.6-178.1-179.7-151.4000112.6Y237 P238 Y239 V396 H401 L405 R406 D412 T413 V416 R420Y237-Y403 AromaticContact CD1-CD2 3.67Å; Y237-Y403 HydrophobicContact CD1-CD2 3.67Å; Y237-Y403 HydrophobicContact CD1-CE2 4.4Å; Y237-Y403 AromaticContact CD1-CG 3.98Å; Y237-Y403 HydrophobicContact CD1-CG 3.98Å; Y237-Y403 HydrophobicContact CE1-CD2 4.18Å; Y237-Y403 HydrophobicContact CE1-CG 4.33Å; P238-Y403 WeakPolarHBondContact CD-OH 3.12Å; P238-Y403 HydrophobicContact CG-CE1 4.22Å; P238-Y403 HydrophobicContact CG-CE2 4.27Å; P238-Y403 WeakPolarHBondContact CG-OH 3.4Å; Y239-Y403 AromaticContact CE1-CE2 3.72Å; Y239-Y403 HydrophobicContact CE1-CE2 3.72Å; Y239-Y403 AromaticContact CZ-CE2 3.94Å; V396-Y403 HydrophobicContact CG1-CD1 3.92Å; H401-Y403 PolarHBondContact O-N 3.38Å; Y403-L405 VanDerWaalsContact C-N 3.26Å; Y403-L405 PolarHBondContact O-N 3.34Å; Y403-R406 HydrophobicContact CD2-CG 4.38Å; Y403-R406 WeakPolarHBondContact O-CB 3.42Å; Y403-R406 PolarHBondContact O-N 3.46Å; Y403-R406 VanDerWaalsContact O-N 3.14Å; Y403-D412 WeakPolarHBondContact OH-CA 3.22Å; Y403-D412 PolarHBondContact OH-OD1 3.46Å; Y403-T413 HydrophobicContact CE1-CG2 4.42Å; Y403-T413 PolarHBondContact OH-N 3.43Å; Y403-V416 HydrophobicContact CD1-CB 3.74Å; Y403-V416 HydrophobicContact CD1-CG1 4.27Å; Y403-V416 HydrophobicContact CD1-CG2 3.76Å; Y403-V416 HydrophobicContact CD2-CG2 4.32Å; Y403-V416 HydrophobicContact CE1-CB 3.53Å; Y403-V416 HydrophobicContact CE1-CG1 3.59Å; Y403-V416 HydrophobicContact CE1-CG2 3.95Å; Y403-V416 HydrophobicContact CE2-CG1 4.34Å; Y403-V416 HydrophobicContact CE2-CG2 4.44Å; Y403-V416 HydrophobicContact CG-CB 4.42Å; Y403-V416 HydrophobicContact CG-CG2 3.95Å; Y403-R420 PolarHBondContact O-NH2 2.85Å
404D98.6Very high97.3Very high0 Ų041.2 Ų41.20%022%0.219CC..G310 helixtrans-54.5-35.917255.7-53.4000113.2F81 A175 S372 V396 H402 R406 V416 V419 R420 E423F81-D404 WeakPolarHBondContact CB-O 3.37Å; A175-D404 VanDerWaalsContact CB-OD2 3.25Å; A175-D404 WeakPolarHBondContact CB-OD2 3.34Å; S372-D404 WeakPolarHBondContact CB-OD2 3.49Å; S372-D404 PolarHBondContact OG-OD2 3.11Å; V396-D404 HydrophobicContact CG2-CB 4.39Å; H402-D404 VanDerWaalsContact CA-OD1 3.29Å; H402-D404 WeakPolarHBondContact CA-OD1 3.33Å; H402-D404 PolarHBondContact O-N 2.79Å; D404-R406 VanDerWaalsContact C-N 3.33Å; D404-R406 PolarHBondContact O-N 3.31Å; D404-V416 HydrophobicContact CB-CG2 4.43Å; D404-V419 HydrophobicContact CB-CG1 4.2Å; D404-R420 PolarHBondContact O-NE 2.7Å; D404-E423 VanDerWaalsContact OD2-OE1 3.08Å
405L98.4Very high97.3Very high4 Ų441.2 Ų41.22%0.02122%0.221CC..G310 helixtrans-75.5-16.5178.5-69.4-173.7000114.6Y65 A79 G80 F81 L173 A175 H402 Y403Y65-L405 HydrophobicContact CE2-CD1 4.42Å; A79-L405 CarbonylContact C-O 3.11Å; A79-L405 VanDerWaalsContact CA-O 3.23Å; A79-L405 WeakPolarHBondContact CA-O 3.48Å; G80-L405 PolarHBondContact N-O 3.48Å; F81-L405 VanDerWaalsContact CB-O 3.3Å; F81-L405 WeakPolarHBondContact CB-O 3.49Å; F81-L405 HydrophobicContact CD1-CD2 4.15Å; F81-L405 PolarHBondContact N-O 3.47Å; L173-L405 HydrophobicContact CD2-CD2 3.91Å; A175-L405 HydrophobicContact CB-CD1 3.62Å; A175-L405 HydrophobicContact CB-CD2 4.22Å; A175-L405 HydrophobicContact CB-CG 3.58Å; H402-L405 HydrophobicContact CB-CD1 4.26Å; H402-L405 HydrophobicContact CB-CG 4.39Å; H402-L405 PolarHBondContact O-N 3Å; H402-L405 VanDerWaalsContact O-N 3.12Å; Y403-L405 VanDerWaalsContact C-N 3.26Å; Y403-L405 PolarHBondContact O-N 3.34Å
406R97.2Very high97.3Very high21 Ų2139 Ų398%0.07921%0.209CC..SBendtrans-64.1159.2-179.5-59.3-164.267.882.37.5111.5N78 F81 Y239 Y403 D404 R420N78-R406 WeakPolarHBondContact O-CA 3.5Å; N78-R406 PolarHBondContact OD1-NH1 2.93Å; N78-R406 PolarHBondContact OD1-NH2 2.88Å; F81-R406 PolarHBondContact N-O 3.38Å; Y239-R406 VanDerWaalsContact OH-CB 3.26Å; Y239-R406 WeakPolarHBondContact OH-CB 3.32Å; Y239-R406 VanDerWaalsContact OH-CD 3.3Å; Y239-R406 WeakPolarHBondContact OH-CD 3.44Å; Y239-R406 PolarHBondContact OH-NE 2.81Å; Y403-R406 HydrophobicContact CD2-CG 4.38Å; Y403-R406 WeakPolarHBondContact O-CB 3.42Å; Y403-R406 PolarHBondContact O-N 3.46Å; Y403-R406 VanDerWaalsContact O-N 3.14Å; D404-R406 VanDerWaalsContact C-N 3.33Å; D404-R406 PolarHBondContact O-N 3.31Å; R406-R420 PolarHBondContact O-NH2 3.39Å
407G94.8Very high97.3Very high15 Ų1542.5 Ų42.516%0.15523%0.227CC..PPolyproline II helixtrans-63.1160.3174.700000112.8Y21 G80 H409Y21-G407 WeakPolarHBondContact OH-CA 3.06Å; G80-G407 VanDerWaalsContact CA-CA 3.47Å; G407-H409 PolarHBondContact O-N 3.49Å
408L95.4Very high97.4Very high108 Ų10840.1 Ų40.157%0.56522%0.22SC*.PPolyproline II helixtrans-58.1130.9172-68.3173.9000110.2D84D84-L408 HydrophobicContact CB-CD1 4.16Å; D84-L408 HydrophobicContact CB-CG 4.26Å; D84-L408 PolarHBondContact OD2-N 3.32Å
409H96.1Very high97.6Very high63 Ų6338.8 Ų38.829%0.29221%0.213SC..  trans-137.3141.5-179.4-170-90.4000111.3Y239 G407 K411 D412Y239-H409 WeakPolarHBondContact CB-CE1 3.49Å; Y239-H409 HydrophobicContact CD1-CB 3.99Å; Y239-H409 AromaticContact CD1-CE1 3.83Å; Y239-H409 AromaticContact CD1-CG 3.59Å; Y239-H409 AromaticContact CD1-ND1 3.23Å; Y239-H409 WeakPolarHBondContact CD1-ND1 3.25Å; Y239-H409 HydrophobicContact CE1-CB 3.63Å; Y239-H409 AromaticContact CE1-CG 3.75Å; Y239-H409 AromaticContact CE1-ND1 3.83Å; Y239-H409 AromaticContact CG-CE1 3.67Å; Y239-H409 AromaticContact CG-CG 3.87Å; Y239-H409 AromaticContact CG-ND1 3.55Å; G407-H409 PolarHBondContact O-N 3.49Å; H409-K411 WeakPolarHBondContact ND1-CB 3.39Å; H409-K411 PolarHBondContact ND1-N 3.33Å; H409-K411 PolarHBondContact O-N 3.41Å; H409-D412 PolarHBondContact N-OD2 2.72Å; H409-D412 VanDerWaalsContact O-CB 3.26Å; H409-D412 WeakPolarHBondContact O-CB 3.28Å; H409-D412 PolarHBondContact O-N 3.48Å
410P96.7Very high97.6Very high117 Ų11739.3 Ų39.376%0.7621%0.214SC*.THydrogen-bonded Turntrans-59.5-19179.7-26.835.3000115.5
411K97.2Very high97.7Very high133 Ų13344.1 Ų44.158%0.57824%0.24SC*.THydrogen-bonded Turntrans-98.212.9175.7-57.8-179-179.3172.10113.3P238 Y239 H409P238-K411 WeakPolarHBondContact CG-O 3.29Å; Y239-K411 HydrophobicContact CD1-CB 4.25Å; H409-K411 WeakPolarHBondContact ND1-CB 3.39Å; H409-K411 PolarHBondContact ND1-N 3.33Å; H409-K411 PolarHBondContact O-N 3.41Å
412D97.7Very high97.7Very high20 Ų2047.6 Ų47.611%0.10726%0.258CS..  trans-59.1139.7174.2-77.2-23.4000110.6Y239 Y403 H409 V416 I417 R420Y239-D412 WeakPolarHBondContact CE1-OD1 3.44Å; Y403-D412 WeakPolarHBondContact OH-CA 3.22Å; Y403-D412 PolarHBondContact OH-OD1 3.46Å; H409-D412 PolarHBondContact N-OD2 2.72Å; H409-D412 VanDerWaalsContact O-CB 3.26Å; H409-D412 WeakPolarHBondContact O-CB 3.28Å; H409-D412 PolarHBondContact O-N 3.48Å; D412-V416 HydrophobicContact CB-CG1 3.83Å; D412-I417 HydrophobicContact CB-CD1 4.16Å; D412-I417 HydrophobicContact CB-CG1 4.02Å; D412-R420 VanDerWaalsContact CG-NH1 3.33Å; D412-R420 IonicContact OD1-NH1 2.65Å; D412-R420 IonicContact OD1-NH2 3.72Å; D412-R420 IonicContact OD2-CZ 2.64Å; D412-R420 IonicContact OD2-NH1 3.37Å; D412-R420 PolarHBondContact OD2-NH1 3.15Å
413T97.9Very high97.7Very high13 Ų1347 Ų478%0.0826%0.255CS..  trans-84.4154.1-176.7630000109.8P238 W250 D398 Y403 S415 V416 I417P238-T413 HydrophobicContact CB-CG2 4.38Å; P238-T413 HydrophobicContact CG-CG2 4.02Å; W250-T413 HydrophobicContact CZ2-CG2 4.3Å; D398-T413 VanDerWaalsContact CG-OG1 3.31Å; D398-T413 WeakPolarHBondContact OD1-CB 3.41Å; D398-T413 PolarHBondContact OD1-OG1 2.91Å; D398-T413 WeakPolarHBondContact OD2-CB 3.38Å; D398-T413 WeakPolarHBondContact OD2-CG2 3.47Å; D398-T413 PolarHBondContact OD2-OG1 3.48Å; Y403-T413 HydrophobicContact CE1-CG2 4.42Å; Y403-T413 PolarHBondContact OH-N 3.43Å; T413-S415 PolarHBondContact O-N 3.46Å; T413-S415 VanDerWaalsContact O-N 3.13Å; T413-V416 WeakPolarHBondContact O-CG1 3.17Å; T413-V416 PolarHBondContact O-N 2.97Å; T413-V416 PolarHBondContact OG1-N 2.92Å; T413-I417 WeakPolarHBondContact O-CG1 3.36Å; T413-I417 PolarHBondContact O-N 3.43Å; T413-I417 VanDerWaalsContact O-N 3.14Å
414P98.3Very high97.7Very high98 Ų9848.1 Ų48.164%0.63626%0.261SS*.Hα-helixtrans-54.6-34.2175.7-27.635.8000113I417 N418P414-I417 PolarHBondContact O-N 2.94Å; P414-N418 WeakPolarHBondContact O-CB 3.32Å; P414-N418 PolarHBondContact O-N 3.17Å; P414-N418 PolarHBondContact O-ND2 2.86Å
415S98.2Very high97.7Very high18 Ų1850.6 Ų50.613%0.12628%0.279CS..Hα-helixtrans-63.9-49.6179-164.90000112.3E397 D398 T413 I417 N418 V419E397-S415 PolarHBondContact N-OG 3.39Å; D398-S415 WeakPolarHBondContact OD1-CB 3.16Å; T413-S415 PolarHBondContact O-N 3.46Å; T413-S415 VanDerWaalsContact O-N 3.13Å; S415-I417 VanDerWaalsContact C-N 3.32Å; S415-I417 PolarHBondContact O-N 3.28Å; S415-N418 PolarHBondContact O-N 3.35Å; S415-V419 WeakPolarHBondContact O-CG2 3.42Å; S415-V419 PolarHBondContact O-N 3.21Å
416V98.5Very high97.7Very high0 Ų052.7 Ų52.70%029%0.288CS..Hα-helixtrans-66.9-35.7179.676.20000111.8V396 Y403 D404 D412 T413 V419 R420V396-V416 HydrophobicContact CG1-CB 3.84Å; V396-V416 HydrophobicContact CG1-CG2 4.28Å; Y403-V416 HydrophobicContact CD1-CB 3.74Å; Y403-V416 HydrophobicContact CD1-CG1 4.27Å; Y403-V416 HydrophobicContact CD1-CG2 3.76Å; Y403-V416 HydrophobicContact CD2-CG2 4.32Å; Y403-V416 HydrophobicContact CE1-CB 3.53Å; Y403-V416 HydrophobicContact CE1-CG1 3.59Å; Y403-V416 HydrophobicContact CE1-CG2 3.95Å; Y403-V416 HydrophobicContact CE2-CG1 4.34Å; Y403-V416 HydrophobicContact CE2-CG2 4.44Å; Y403-V416 HydrophobicContact CG-CB 4.42Å; Y403-V416 HydrophobicContact CG-CG2 3.95Å; D404-V416 HydrophobicContact CB-CG2 4.43Å; D412-V416 HydrophobicContact CB-CG1 3.83Å; T413-V416 WeakPolarHBondContact O-CG1 3.17Å; T413-V416 PolarHBondContact O-N 2.97Å; T413-V416 PolarHBondContact OG1-N 2.92Å; V416-V419 PolarHBondContact O-N 3.32Å; V416-R420 HydrophobicContact CG2-CG 4.48Å; V416-R420 WeakPolarHBondContact O-CB 3.49Å; V416-R420 WeakPolarHBondContact O-CG 3.45Å; V416-R420 PolarHBondContact O-N 2.9Å
417I98.4Very high97.8Very high74 Ų7451.8 Ų51.838%0.37928%0.284SS..Hα-helixtrans-61.9-47.3176.1-65.7167.8000109.9D412 T413 P414 S415 R420 L421D412-I417 HydrophobicContact CB-CD1 4.16Å; D412-I417 HydrophobicContact CB-CG1 4.02Å; T413-I417 WeakPolarHBondContact O-CG1 3.36Å; T413-I417 PolarHBondContact O-N 3.43Å; T413-I417 VanDerWaalsContact O-N 3.14Å; P414-I417 PolarHBondContact O-N 2.94Å; S415-I417 VanDerWaalsContact C-N 3.32Å; S415-I417 PolarHBondContact O-N 3.28Å; I417-R420 PolarHBondContact O-N 3.13Å; I417-L421 HydrophobicContact CG2-CD1 4.25Å; I417-L421 WeakPolarHBondContact O-CG 3.33Å; I417-L421 PolarHBondContact O-N 3.42Å
418N98.4Very high97.9Very high98 Ų9857 Ų5752%0.52430%0.299SS..Hα-helixtrans-62-44178.2-73.3-18.6000112.2P414 S415 L421 L422P414-N418 WeakPolarHBondContact O-CB 3.32Å; P414-N418 PolarHBondContact O-N 3.17Å; P414-N418 PolarHBondContact O-ND2 2.86Å; S415-N418 PolarHBondContact O-N 3.35Å; N418-L421 PolarHBondContact O-N 3.26Å; N418-L422 WeakPolarHBondContact O-CG 3.31Å; N418-L422 PolarHBondContact O-N 2.88Å
419V98.7Very high98Very high8 Ų856.9 Ų56.95%0.04829%0.294CS..Hα-helixtrans-62.3-46.6177.7168.60000111.3L394 I395 V396 D404 S415 V416 L421 L422 E423L394-V419 HydrophobicContact CB-CG1 4.1Å; L394-V419 HydrophobicContact CD1-CG1 4.12Å; I395-V419 WeakPolarHBondContact O-CG2 3.14Å; V396-V419 HydrophobicContact CG2-CB 3.95Å; V396-V419 HydrophobicContact CG2-CG1 3.88Å; V396-V419 HydrophobicContact CG2-CG2 3.84Å; D404-V419 HydrophobicContact CB-CG1 4.2Å; S415-V419 WeakPolarHBondContact O-CG2 3.42Å; S415-V419 PolarHBondContact O-N 3.21Å; V416-V419 PolarHBondContact O-N 3.32Å; V419-L421 VanDerWaalsContact C-N 3.29Å; V419-L421 PolarHBondContact O-N 2.96Å; V419-L422 WeakPolarHBondContact O-CB 3.41Å; V419-L422 PolarHBondContact O-N 3.4Å; V419-E423 HydrophobicContact CG1-CG 4.4Å; V419-E423 VanDerWaalsContact CG1-OE1 3.32Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.35Å; V419-E423 WeakPolarHBondContact O-CG 3.16Å; V419-E423 PolarHBondContact O-N 3.32Å
420R98.6Very high98.1Very high10 Ų1054.2 Ų54.24%0.03828%0.282CS..Hα-helixtrans-59.6-38175.9-74.1174.7-179.4157.46.2112.8F81 Y403 D404 R406 D412 V416 I417 E423 I424F81-R420 HydrophobicContact CD2-CB 4.19Å; F81-R420 HydrophobicContact CD2-CG 3.78Å; F81-R420 HydrophobicContact CE2-CB 3.81Å; F81-R420 HydrophobicContact CE2-CG 3.86Å; Y403-R420 PolarHBondContact O-NH2 2.85Å; D404-R420 PolarHBondContact O-NE 2.7Å; R406-R420 PolarHBondContact O-NH2 3.39Å; D412-R420 VanDerWaalsContact CG-NH1 3.33Å; D412-R420 IonicContact OD1-NH1 2.65Å; D412-R420 IonicContact OD1-NH2 3.72Å; D412-R420 IonicContact OD2-CZ 2.64Å; D412-R420 IonicContact OD2-NH1 3.37Å; D412-R420 PolarHBondContact OD2-NH1 3.15Å; V416-R420 HydrophobicContact CG2-CG 4.48Å; V416-R420 WeakPolarHBondContact O-CB 3.49Å; V416-R420 WeakPolarHBondContact O-CG 3.45Å; V416-R420 PolarHBondContact O-N 2.9Å; I417-R420 PolarHBondContact O-N 3.13Å; R420-E423 PolarHBondContact O-N 3.23Å; R420-I424 WeakPolarHBondContact O-CB 3.44Å; R420-I424 VanDerWaalsContact O-CG1 3.28Å; R420-I424 WeakPolarHBondContact O-CG1 3.42Å; R420-I424 PolarHBondContact O-N 3.39Å
421L98.3Very high98Very high102 Ų10249.1 Ų49.153%0.53425%0.248SC..Hα-helixtrans-64.6-40.6174.9-71.6173.1000111.9I417 N418 V419 S425I417-L421 HydrophobicContact CG2-CD1 4.25Å; I417-L421 WeakPolarHBondContact O-CG 3.33Å; I417-L421 PolarHBondContact O-N 3.42Å; N418-L421 PolarHBondContact O-N 3.26Å; V419-L421 VanDerWaalsContact C-N 3.29Å; V419-L421 PolarHBondContact O-N 2.96Å; L421-S425 PolarHBondContact O-N 3.14Å
422L98.4Very high97.9Very high82 Ų8249.1 Ų49.143%0.42925%0.25SS..Hα-helixtrans-64.2-44.5174.2-70171.6000111.2L394 N418 V419 I424 S425 F426L394-L422 HydrophobicContact CD1-CB 3.96Å; L394-L422 HydrophobicContact CD2-CB 4.45Å; L394-L422 HydrophobicContact CD2-CD1 3.92Å; N418-L422 WeakPolarHBondContact O-CG 3.31Å; N418-L422 PolarHBondContact O-N 2.88Å; V419-L422 WeakPolarHBondContact O-CB 3.41Å; V419-L422 PolarHBondContact O-N 3.4Å; L422-I424 PolarHBondContact O-N 3.16Å; L422-S425 WeakPolarHBondContact O-CA 3.44Å; L422-S425 WeakPolarHBondContact O-CB 3.46Å; L422-S425 PolarHBondContact O-N 3.06Å; L422-S425 PolarHBondContact O-OG 3.02Å; L422-F426 WeakPolarHBondContact O-CD2 3.49Å; L422-F426 PolarHBondContact O-N 3.42Å
423E98.6Very high97.7Very high2 Ų251.7 Ų51.71%0.00926%0.262CS..Hα-helixtrans-58.3-48.2176.3-69.8166.417400111.8F81 L173 V370 S372 L394 D404 V419 R420 S425 F426 I427F81-E423 HydrophobicContact CE1-CB 4.49Å; F81-E423 HydrophobicContact CZ-CB 3.95Å; L173-E423 HydrophobicContact CD1-CG 3.73Å; L173-E423 HydrophobicContact CD2-CB 4.37Å; L173-E423 HydrophobicContact CD2-CG 4.18Å; V370-E423 HydrophobicContact CG1-CG 4.32Å; S372-E423 WeakPolarHBondContact CB-OE1 3.25Å; L394-E423 HydrophobicContact CD1-CG 3.81Å; D404-E423 VanDerWaalsContact OD2-OE1 3.08Å; V419-E423 HydrophobicContact CG1-CG 4.4Å; V419-E423 VanDerWaalsContact CG1-OE1 3.32Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.35Å; V419-E423 WeakPolarHBondContact O-CG 3.16Å; V419-E423 PolarHBondContact O-N 3.32Å; R420-E423 PolarHBondContact O-N 3.23Å; E423-S425 PolarHBondContact O-N 2.95Å; E423-F426 PolarHBondContact O-N 2.84Å; E423-F426 VanDerWaalsContact O-N 3.13Å; E423-I427 WeakPolarHBondContact O-CG1 3.11Å; E423-I427 PolarHBondContact O-N 2.79Å
424I98.4Very high97.4Very high25 Ų2551.4 Ų51.413%0.12826%0.26CS..Hα-helixtrans-57.1-39.4173.4-70.7169.8000110.6F81 F89 R420 L422 I427 R428F81-I424 HydrophobicContact CE2-CD1 4.11Å; F81-I424 HydrophobicContact CE2-CG1 3.98Å; F81-I424 HydrophobicContact CZ-CG1 3.97Å; F89-I424 HydrophobicContact CE2-CG2 4.05Å; F89-I424 HydrophobicContact CZ-CG2 3.85Å; R420-I424 WeakPolarHBondContact O-CB 3.44Å; R420-I424 VanDerWaalsContact O-CG1 3.28Å; R420-I424 WeakPolarHBondContact O-CG1 3.42Å; R420-I424 PolarHBondContact O-N 3.39Å; L422-I424 PolarHBondContact O-N 3.16Å; I424-I427 PolarHBondContact O-N 2.93Å; I424-R428 WeakPolarHBondContact O-CG 3.29Å; I424-R428 PolarHBondContact O-N 2.85Å
425S98.3Very high97Very high52 Ų5249.9 Ų49.936%0.36424%0.241SC..Hα-helixtrans-65.6-39.6177.685.80000112.7L421 L422 E423 R428 K429L421-S425 PolarHBondContact O-N 3.14Å; L422-S425 WeakPolarHBondContact O-CA 3.44Å; L422-S425 WeakPolarHBondContact O-CB 3.46Å; L422-S425 PolarHBondContact O-N 3.06Å; L422-S425 PolarHBondContact O-OG 3.02Å; E423-S425 PolarHBondContact O-N 2.95Å; S425-R428 PolarHBondContact O-N 3.45Å; S425-K429 WeakPolarHBondContact O-CB 3.5Å; S425-K429 PolarHBondContact O-N 2.95Å
426F98.3Very high96.6Very high48 Ų4851.8 Ų51.821%0.21126%0.258CS..Hα-helixtrans-65.2-44.8174.2-79.1-70.1000111.4V370 A392 L394 L422 E423 R428 K429 W430V370-F426 HydrophobicContact CG2-CB 3.83Å; V370-F426 HydrophobicContact CG2-CD1 4.23Å; V370-F426 HydrophobicContact CG2-CD2 3.54Å; V370-F426 HydrophobicContact CG2-CE2 4.15Å; V370-F426 HydrophobicContact CG2-CG 3.61Å; A392-F426 HydrophobicContact CB-CE1 3.89Å; A392-F426 HydrophobicContact CB-CE2 3.78Å; A392-F426 HydrophobicContact CB-CZ 3.38Å; L394-F426 HydrophobicContact CD1-CE2 4.44Å; L394-F426 HydrophobicContact CD2-CE2 4.46Å; L422-F426 WeakPolarHBondContact O-CD2 3.49Å; L422-F426 PolarHBondContact O-N 3.42Å; E423-F426 PolarHBondContact O-N 2.84Å; E423-F426 VanDerWaalsContact O-N 3.13Å; F426-R428 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 2.85Å; F426-K429 WeakPolarHBondContact O-CB 3.44Å; F426-K429 PolarHBondContact O-N 3.45Å; F426-K429 VanDerWaalsContact O-N 3.14Å; F426-W430 HydrophobicContact CB-CH2 4.19Å; F426-W430 HydrophobicContact CB-CZ2 3.96Å; F426-W430 HydrophobicContact CD1-CZ2 4.49Å; F426-W430 HydrophobicContact CG-CZ2 4.5Å; F426-W430 VanDerWaalsContact O-CD2 3.29Å; F426-W430 VanDerWaalsContact O-CG 3.23Å; F426-W430 PolarHBondContact O-N 3.13Å
427I98.2Very high96Very high1 Ų157.9 Ų57.91%0.00528%0.284CS..Hα-helixtrans-57.9-47.7175.8-65.6166000110.4F63 F89 I147 F149 E423 I424 K429 W430 L431F63-I427 HydrophobicContact CE1-CG2 4.1Å; F63-I427 HydrophobicContact CZ-CG2 4.05Å; F89-I427 HydrophobicContact CD1-CG2 4.19Å; F89-I427 HydrophobicContact CE1-CB 4.28Å; F89-I427 HydrophobicContact CE1-CG2 3.6Å; F89-I427 HydrophobicContact CE2-CB 4.5Å; F89-I427 HydrophobicContact CE2-CG2 4.03Å; F89-I427 HydrophobicContact CZ-CB 3.86Å; F89-I427 HydrophobicContact CZ-CG2 3.51Å; I147-I427 HydrophobicContact CG1-CG2 4.19Å; I147-I427 HydrophobicContact CG2-CG1 4.27Å; F149-I427 HydrophobicContact CE1-CD1 3.95Å; F149-I427 HydrophobicContact CZ-CD1 3.82Å; E423-I427 WeakPolarHBondContact O-CG1 3.11Å; E423-I427 PolarHBondContact O-N 2.79Å; I424-I427 PolarHBondContact O-N 2.93Å; I427-K429 VanDerWaalsContact C-N 3.34Å; I427-K429 PolarHBondContact O-N 2.91Å; I427-W430 HydrophobicContact CG1-CE3 4.3Å; I427-W430 HydrophobicContact CG1-CZ3 4.18Å; I427-W430 PolarHBondContact O-N 2.83Å; I427-L431 HydrophobicContact CG2-CD1 3.85Å; I427-L431 HydrophobicContact CG2-CG 4.35Å; I427-L431 VanDerWaalsContact O-CG 3.27Å; I427-L431 WeakPolarHBondContact O-CG 3.5Å; I427-L431 PolarHBondContact O-N 3.43Å
428R97.9Very high95Very high124 Ų12458 Ų5847%0.46828%0.28SS..Hα-helixtrans-56.3-47.1174.9-75.2177.3-1761382111.7F89 I424 S425 F426 L431 Q432F89-R428 HydrophobicContact CE1-CB 4.34Å; F89-R428 HydrophobicContact CE1-CG 3.41Å; F89-R428 VanDerWaalsContact CE1-CG 3.41Å; F89-R428 HydrophobicContact CZ-CG 3.69Å; I424-R428 WeakPolarHBondContact O-CG 3.29Å; I424-R428 PolarHBondContact O-N 2.85Å; S425-R428 PolarHBondContact O-N 3.45Å; F426-R428 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 2.85Å; R428-L431 PolarHBondContact O-N 3.43Å; R428-Q432 WeakPolarHBondContact O-CB 3.2Å; R428-Q432 VanDerWaalsContact O-CG 3.24Å; R428-Q432 WeakPolarHBondContact O-CG 3.47Å; R428-Q432 PolarHBondContact O-N 3.16Å
429K97.4Very high94.2Very high106 Ų10660.5 Ų60.546%0.46129%0.286SS..Hα-helixtrans-59.6-47.5179.1178.2-177175.9-177.70111.7S425 F426 I427 Q432 Q433S425-K429 WeakPolarHBondContact O-CB 3.5Å; S425-K429 PolarHBondContact O-N 2.95Å; F426-K429 WeakPolarHBondContact O-CB 3.44Å; F426-K429 PolarHBondContact O-N 3.45Å; F426-K429 VanDerWaalsContact O-N 3.14Å; I427-K429 VanDerWaalsContact C-N 3.34Å; I427-K429 PolarHBondContact O-N 2.91Å; K429-Q432 PolarHBondContact O-N 3.07Å; K429-Q433 VanDerWaalsContact O-CG 3.3Å; K429-Q433 WeakPolarHBondContact O-CG 3.09Å; K429-Q433 PolarHBondContact O-N 3.06Å
430W97.1Very high93.4Very high7 Ų768.3 Ų68.33%0.02732%0.315CS..Hα-helixtrans-62.7-47.5179.7-59.6-31.6000111.5I147 A172 N368 V370 F426 I427 Q432 Q433 T434I147-W430 HydrophobicContact CD1-CE3 4.1Å; I147-W430 HydrophobicContact CG2-CZ3 4.34Å; A172-W430 WeakPolarHBondContact O-CH2 3.34Å; N368-W430 VanDerWaalsContact C-CZ2 3.44Å; N368-W430 HydrophobicContact CB-CD2 4.16Å; N368-W430 HydrophobicContact CB-CG 4.14Å; N368-W430 HydrophobicContact CB-CZ2 4.26Å; N368-W430 WeakPolarHBondContact O-CZ2 3.37Å; N368-W430 PolarHBondContact OD1-NE1 2.96Å; V370-W430 HydrophobicContact CB-CH2 4.27Å; V370-W430 HydrophobicContact CG2-CH2 3.66Å; V370-W430 HydrophobicContact CG2-CZ2 3.79Å; F426-W430 HydrophobicContact CB-CH2 4.19Å; F426-W430 HydrophobicContact CB-CZ2 3.96Å; F426-W430 HydrophobicContact CD1-CZ2 4.49Å; F426-W430 HydrophobicContact CG-CZ2 4.5Å; F426-W430 VanDerWaalsContact O-CD2 3.29Å; F426-W430 VanDerWaalsContact O-CG 3.23Å; F426-W430 PolarHBondContact O-N 3.13Å; I427-W430 HydrophobicContact CG1-CE3 4.3Å; I427-W430 HydrophobicContact CG1-CZ3 4.18Å; I427-W430 PolarHBondContact O-N 2.83Å; W430-Q432 VanDerWaalsContact C-N 3.34Å; W430-Q432 PolarHBondContact O-N 3.24Å; W430-Q433 WeakPolarHBondContact O-CB 3.32Å; W430-Q433 PolarHBondContact O-N 3.17Å; W430-T434 VanDerWaalsContact O-CB 3.26Å; W430-T434 WeakPolarHBondContact O-CB 3.24Å; W430-T434 PolarHBondContact O-N 3.43Å; W430-T434 PolarHBondContact O-OG1 2.84Å
431L95.3Very high92.5Very high10 Ų1074.1 Ų74.15%0.05234%0.341CS..Hα-helixtrans-59.6-44.7177.2-66.1174.3000111.3P61 F89 P145 I147 I427 R428 Q433 T434 W435P61-L431 HydrophobicContact CB-CD1 4.3Å; P61-L431 HydrophobicContact CB-CD2 3.67Å; P61-L431 HydrophobicContact CG-CD1 3.85Å; P61-L431 HydrophobicContact CG-CD2 4.16Å; F89-L431 HydrophobicContact CD1-CD1 3.55Å; F89-L431 HydrophobicContact CE1-CD1 3.86Å; F89-L431 HydrophobicContact CG-CD1 4.47Å; P145-L431 HydrophobicContact CB-CD2 3.58Å; P145-L431 HydrophobicContact CG-CD2 4.08Å; I147-L431 HydrophobicContact CD1-CD2 4.16Å; I147-L431 HydrophobicContact CG1-CD2 4.33Å; I427-L431 HydrophobicContact CG2-CD1 3.85Å; I427-L431 HydrophobicContact CG2-CG 4.35Å; I427-L431 VanDerWaalsContact O-CG 3.27Å; I427-L431 WeakPolarHBondContact O-CG 3.5Å; I427-L431 PolarHBondContact O-N 3.43Å; R428-L431 PolarHBondContact O-N 3.43Å; L431-Q433 PolarHBondContact O-N 3.01Å; L431-T434 WeakPolarHBondContact O-CB 3.47Å; L431-T434 PolarHBondContact O-N 3.09Å; L431-W435 VanDerWaalsContact C-CD1 3.5Å; L431-W435 WeakPolarHBondContact O-CB 3.37Å; L431-W435 VanDerWaalsContact O-CG 3.26Å; L431-W435 PolarHBondContact O-N 3.45Å
432Q94.6Very high91.5Very high134 Ų13472.3 Ų72.363%0.62633%0.332SS*.Hα-helixtrans-58.5-44.7175.6-75.4172.5-700112.5R428 K429 W430 W435 A436R428-Q432 WeakPolarHBondContact O-CB 3.2Å; R428-Q432 VanDerWaalsContact O-CG 3.24Å; R428-Q432 WeakPolarHBondContact O-CG 3.47Å; R428-Q432 PolarHBondContact O-N 3.16Å; K429-Q432 PolarHBondContact O-N 3.07Å; W430-Q432 VanDerWaalsContact C-N 3.34Å; W430-Q432 PolarHBondContact O-N 3.24Å; Q432-W435 PolarHBondContact O-N 3.26Å; Q432-A436 VanDerWaalsContact O-CB 3.27Å; Q432-A436 WeakPolarHBondContact O-CB 3.01Å; Q432-A436 PolarHBondContact O-N 3.07Å
433Q93.4Very high90.5Very high74 Ų7473.1 Ų73.135%0.34634%0.336SS..Hα-helixtrans-63.1-43.7176.9-70.3172.3-15.500111.7K429 W430 L431 A436 K437K429-Q433 VanDerWaalsContact O-CG 3.3Å; K429-Q433 WeakPolarHBondContact O-CG 3.09Å; K429-Q433 PolarHBondContact O-N 3.06Å; W430-Q433 WeakPolarHBondContact O-CB 3.32Å; W430-Q433 PolarHBondContact O-N 3.17Å; L431-Q433 PolarHBondContact O-N 3.01Å; Q433-A436 PolarHBondContact O-N 3.47Å; Q433-K437 WeakPolarHBondContact O-CB 3.43Å; Q433-K437 WeakPolarHBondContact O-CG 3.28Å; Q433-K437 PolarHBondContact O-N 3.35Å
434T91.6Very high89.5Confident7 Ų776.4 Ų76.44%0.04335%0.351CS..Hα-helixtrans-57.4-51.5175.5-81.90000111.2Y143 P145 D170 W430 L431 K437 R438Y143-T434 HydrophobicContact CD1-CG2 4.47Å; Y143-T434 HydrophobicContact CD2-CG2 4.42Å; Y143-T434 HydrophobicContact CE1-CG2 3.52Å; Y143-T434 HydrophobicContact CE2-CG2 3.45Å; Y143-T434 VanDerWaalsContact CE2-CG2 3.45Å; Y143-T434 WeakPolarHBondContact CE2-O 3.29Å; Y143-T434 WeakPolarHBondContact OH-CG2 3.3Å; P145-T434 HydrophobicContact CB-CG2 3.73Å; P145-T434 HydrophobicContact CG-CG2 3.63Å; D170-T434 WeakPolarHBondContact OD1-CG2 3.28Å; D170-T434 PolarHBondContact OD1-OG1 2.04Å; W430-T434 VanDerWaalsContact O-CB 3.26Å; W430-T434 WeakPolarHBondContact O-CB 3.24Å; W430-T434 PolarHBondContact O-N 3.43Å; W430-T434 PolarHBondContact O-OG1 2.84Å; L431-T434 WeakPolarHBondContact O-CB 3.47Å; L431-T434 PolarHBondContact O-N 3.09Å; T434-K437 PolarHBondContact O-N 3.41Å; T434-R438 PolarHBondContact O-N 3.15Å; T434-R438 VanDerWaalsContact O-N 3.15Å
435W89.4Confident88.4Confident66 Ų6683.2 Ų83.225%0.2538%0.375CS..Hα-helixtrans-63.8-40.8176.7-66.6125.9000112.5F59 Y143 P145 L431 Q432 R438 K439F59-W435 HydrophobicContact CB-CZ2 4.46Å; F59-W435 WeakPolarHBondContact O-CZ2 3.48Å; Y143-W435 HydrophobicContact CD1-CH2 4.46Å; Y143-W435 HydrophobicContact CD1-CZ3 4.46Å; Y143-W435 HydrophobicContact CD2-CD2 4.47Å; Y143-W435 AromaticContact CD2-CE3 3.6Å; Y143-W435 HydrophobicContact CD2-CE3 3.6Å; Y143-W435 HydrophobicContact CD2-CH2 4.21Å; Y143-W435 AromaticContact CD2-CZ3 3.47Å; Y143-W435 HydrophobicContact CD2-CZ3 3.47Å; Y143-W435 VanDerWaalsContact CD2-CZ3 3.47Å; Y143-W435 HydrophobicContact CE2-CE3 4.28Å; Y143-W435 HydrophobicContact CE2-CZ3 4.49Å; Y143-W435 HydrophobicContact CG-CE3 4.15Å; Y143-W435 AromaticContact CG-CH2 3.91Å; Y143-W435 HydrophobicContact CG-CH2 3.91Å; Y143-W435 AromaticContact CG-CZ3 3.55Å; Y143-W435 HydrophobicContact CG-CZ3 3.55Å; P145-W435 HydrophobicContact CG-CH2 3.85Å; P145-W435 HydrophobicContact CG-CZ2 3.38Å; L431-W435 VanDerWaalsContact C-CD1 3.5Å; L431-W435 WeakPolarHBondContact O-CB 3.37Å; L431-W435 VanDerWaalsContact O-CG 3.26Å; L431-W435 PolarHBondContact O-N 3.45Å; Q432-W435 PolarHBondContact O-N 3.26Å; W435-R438 PolarHBondContact O-N 3.17Å; W435-K439 WeakPolarHBondContact O-CG 3.41Å; W435-K439 PolarHBondContact O-N 3.06Å
436A90.3Very high87.3Confident57 Ų5785.3 Ų85.347%0.47138%0.382SS..Hα-helixtrans-64.1-43.4177.200000112.3Q432 Q433 R438 K439 R440Q432-A436 VanDerWaalsContact O-CB 3.27Å; Q432-A436 WeakPolarHBondContact O-CB 3.01Å; Q432-A436 PolarHBondContact O-N 3.07Å; Q433-A436 PolarHBondContact O-N 3.47Å; A436-R438 VanDerWaalsContact C-N 3.28Å; A436-R438 PolarHBondContact O-N 3.44Å; A436-K439 PolarHBondContact O-N 3.37Å; A436-R440 PolarHBondContact O-N 3.17Å
437K86.2Confident86Confident128 Ų12891.8 Ų91.856%0.55741%0.405SS*.Hα-helixtrans-58.1-41.2174.4-77.8176.8-177.6-179.70111.2Q433 T434 R440 F441Q433-K437 WeakPolarHBondContact O-CB 3.43Å; Q433-K437 WeakPolarHBondContact O-CG 3.28Å; Q433-K437 PolarHBondContact O-N 3.35Å; T434-K437 PolarHBondContact O-N 3.41Å; K437-R440 WeakPolarHBondContact O-CB 3.42Å; K437-R440 PolarHBondContact O-N 2.84Å; K437-F441 WeakPolarHBondContact O-CD2 3.28Å; K437-F441 PolarHBondContact O-N 3.3Å; K437-F441 VanDerWaalsContact O-N 3.1Å
438R77.7Confident84.7Confident76 Ų7697.6 Ų97.629%0.28743%0.431SS..Hα-helixtrans-76-35.6179.7-79.1-152.1-146.41677.9115.1V142 Y143 T434 W435 A436 R440 F441 D442V142-R438 PolarHBondContact O-NH1 3.42Å; V142-R438 VanDerWaalsContact O-NH1 3.07Å; Y143-R438 HydrophobicContact CD2-CB 3.75Å; Y143-R438 HydrophobicContact CD2-CG 3.52Å; Y143-R438 HydrophobicContact CE2-CB 3.68Å; Y143-R438 HydrophobicContact CE2-CG 3.17Å; Y143-R438 VanDerWaalsContact CG-NE 3.34Å; Y143-R438 PolarHBondContact OH-NE 3.48Å; Y143-R438 PolarHBondContact OH-NH2 2.88Å; T434-R438 PolarHBondContact O-N 3.15Å; T434-R438 VanDerWaalsContact O-N 3.15Å; W435-R438 PolarHBondContact O-N 3.17Å; A436-R438 VanDerWaalsContact C-N 3.28Å; A436-R438 PolarHBondContact O-N 3.44Å; R438-R440 PolarHBondContact O-N 3.26Å; R438-F441 PolarHBondContact O-N 3.06Å; R438-D442 PolarHBondContact O-N 2.05Å
439K81.6Confident83.5Confident152 Ų15295.3 Ų95.366%0.66143%0.431SS*.Hα-helixtrans-53.5-39.6168.4-73.3-177.6179.5-177.20111.4W435 A436 L443W435-K439 WeakPolarHBondContact O-CG 3.41Å; W435-K439 PolarHBondContact O-N 3.06Å; A436-K439 PolarHBondContact O-N 3.37Å; K439-L443 WeakPolarHBondContact O-CB 3.29Å; K439-L443 WeakPolarHBondContact O-CD1 3.39Å; K439-L443 WeakPolarHBondContact O-CG 3.33Å; K439-L443 PolarHBondContact O-N 3.47Å; K439-L443 VanDerWaalsContact O-N 3.14Å
440R82.7Confident82.3Confident171 Ų17193.4 Ų93.465%0.64543%0.432SS*.Hα-helixtrans-65-47.8174.6-178177.3173.8169.62.1112.5A436 K437 R438 L443 E444A436-R440 PolarHBondContact O-N 3.17Å; K437-R440 WeakPolarHBondContact O-CB 3.42Å; K437-R440 PolarHBondContact O-N 2.84Å; R438-R440 PolarHBondContact O-N 3.26Å; R440-L443 PolarHBondContact O-N 3.17Å; R440-E444 WeakPolarHBondContact CG-OE1 3.42Å; R440-E444 IonicContact CZ-OE1 3.71Å; R440-E444 IonicContact NE-OE1 3.86Å; R440-E444 PolarHBondContact NE-OE1 3.12Å; R440-E444 IonicContact NH2-OE1 3.73Å; R440-E444 WeakPolarHBondContact O-CG 3.18Å; R440-E444 PolarHBondContact O-N 3.31Å
441F78.9Confident80.9Confident132 Ų13298.2 Ų98.258%0.57946%0.457SS*.Hα-helixtrans-63-40.8177.7-77.8-65000113.6K437 R438 L443 E444 R445K437-F441 WeakPolarHBondContact O-CD2 3.28Å; K437-F441 PolarHBondContact O-N 3.3Å; K437-F441 VanDerWaalsContact O-N 3.1Å; R438-F441 PolarHBondContact O-N 3.06Å; F441-L443 VanDerWaalsContact C-N 3.35Å; F441-E444 PolarHBondContact O-N 2.9Å; F441-R445 WeakPolarHBondContact O-CB 3.49Å; F441-R445 PolarHBondContact O-N 3.04Å
442D77.4Confident79.6Confident65 Ų65103.2 Ų103.235%0.34848%0.483SS..Hα-helixtrans-64.8-41.5177.8-73.6-34.4000111.2R438 R445 I446R438-D442 PolarHBondContact O-N 2.05Å; D442-R445 PolarHBondContact O-N 2.75Å; D442-I446 WeakPolarHBondContact O-CD1 3.3Å; D442-I446 VanDerWaalsContact O-CG1 3.26Å; D442-I446 WeakPolarHBondContact O-CG1 2.94Å; D442-I446 PolarHBondContact O-N 3.19Å
443L77Confident78.5Confident98 Ų98101.5 Ų101.551%0.51348%0.482SS..Hα-helixtrans-59.9-53172.3-72.6168.6000110.4K439 R440 F441 R445 I446 W447K439-L443 WeakPolarHBondContact O-CB 3.29Å; K439-L443 WeakPolarHBondContact O-CD1 3.39Å; K439-L443 WeakPolarHBondContact O-CG 3.33Å; K439-L443 PolarHBondContact O-N 3.47Å; K439-L443 VanDerWaalsContact O-N 3.14Å; R440-L443 PolarHBondContact O-N 3.17Å; F441-L443 VanDerWaalsContact C-N 3.35Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 2.96Å; L443-I446 WeakPolarHBondContact O-CB 3.5Å; L443-I446 PolarHBondContact O-N 2.79Å; L443-W447 PolarHBondContact O-N 3.34Å
444E78Confident77.4Confident71 Ų71102 Ų10233%0.33250%0.498SS..Hα-helixtrans-55.3-40.3178.8-73.5171.9-17400111.8R440 F441 W447 H448R440-E444 WeakPolarHBondContact CG-OE1 3.42Å; R440-E444 IonicContact CZ-OE1 3.71Å; R440-E444 IonicContact NE-OE1 3.86Å; R440-E444 PolarHBondContact NE-OE1 3.12Å; R440-E444 IonicContact NH2-OE1 3.73Å; R440-E444 WeakPolarHBondContact O-CG 3.18Å; R440-E444 PolarHBondContact O-N 3.31Å; F441-E444 PolarHBondContact O-N 2.9Å; E444-W447 PolarHBondContact O-N 3.01Å; E444-H448 PolarHBondContact O-CD2 3.26Å; E444-H448 PolarHBondContact O-N 2.65Å
445R75.8Confident76.2Confident168 Ų168106 Ų10663%0.63453%0.526SS*.Hα-helixtrans-64.2-42.4175.1-168.9-179.970.7164.50.9112.8F441 D442 L443 W447 H448 T449F441-R445 WeakPolarHBondContact O-CB 3.49Å; F441-R445 PolarHBondContact O-N 3.04Å; D442-R445 PolarHBondContact O-N 2.75Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 2.96Å; R445-W447 VanDerWaalsContact C-N 3.34Å; R445-H448 PolarHBondContact O-N 3.37Å; R445-T449 WeakPolarHBondContact O-CB 2.95Å; R445-T449 PolarHBondContact O-N 3.46Å; R445-T449 PolarHBondContact O-OG1 3.24Å
446I75.3Confident74.8Confident97 Ų97110.7 Ų110.750%0.49756%0.563SS.*Hα-helixtrans-63.7-42.1176.2-68.4162.9000110.5D442 L443 T449 S450D442-I446 WeakPolarHBondContact O-CD1 3.3Å; D442-I446 VanDerWaalsContact O-CG1 3.26Å; D442-I446 WeakPolarHBondContact O-CG1 2.94Å; D442-I446 PolarHBondContact O-N 3.19Å; L443-I446 WeakPolarHBondContact O-CB 3.5Å; L443-I446 PolarHBondContact O-N 2.79Å; I446-T449 PolarHBondContact O-N 3.48Å; I446-S450 WeakPolarHBondContact O-CB 3.35Å; I446-S450 PolarHBondContact O-N 3.25Å; I446-S450 PolarHBondContact O-OG 2.89Å
447W70.7Confident74Confident184 Ų184113.4 Ų113.470%0.69757%0.568SS**Hα-helixtrans-60.7-47.8175.2-80.799.3000111.5L443 E444 R445 T449 S450 L451L443-W447 PolarHBondContact O-N 3.34Å; E444-W447 PolarHBondContact O-N 3.01Å; R445-W447 VanDerWaalsContact C-N 3.34Å; W447-T449 PolarHBondContact O-N 2.71Å; W447-S450 PolarHBondContact O-N 2.81Å; W447-L451 WeakPolarHBondContact O-CG 3.22Å; W447-L451 PolarHBondContact O-N 3.49Å
448H70.1Confident73.4Confident122 Ų122112.6 Ų112.657%0.56557%0.568SS**Hα-helixtrans-63.7-39.6176.9-79-63.7000113.3E444 R445 L451 L452E444-H448 PolarHBondContact O-CD2 3.26Å; E444-H448 PolarHBondContact O-N 2.65Å; R445-H448 PolarHBondContact O-N 3.37Å; H448-L451 PolarHBondContact O-N 2.75Å; H448-L452 WeakPolarHBondContact O-CG 2.89Å; H448-L452 PolarHBondContact O-N 3.07Å
449T73.2Confident73.1Confident76 Ų76114.7 Ų114.747%0.46658%0.584SS.*Hα-helixtrans-66.7-41.3177.4-48.50000110.8R445 I446 W447 L452 V453R445-T449 WeakPolarHBondContact O-CB 2.95Å; R445-T449 PolarHBondContact O-N 3.46Å; R445-T449 PolarHBondContact O-OG1 3.24Å; I446-T449 PolarHBondContact O-N 3.48Å; W447-T449 PolarHBondContact O-N 2.71Å; T449-L452 PolarHBondContact O-N 2.58Å; T449-V453 VanDerWaalsContact O-CG2 3.32Å; T449-V453 WeakPolarHBondContact O-CG2 3.35Å; T449-V453 PolarHBondContact O-N 3.31Å
450S71.1Confident72.7Confident67 Ų67112.5 Ų112.547%0.46958%0.579SS.*Hα-helixtrans-63.8-39.7175.7-55.80000112.2I446 W447 V453 A454I446-S450 WeakPolarHBondContact O-CB 3.35Å; I446-S450 PolarHBondContact O-N 3.25Å; I446-S450 PolarHBondContact O-OG 2.89Å; W447-S450 PolarHBondContact O-N 2.81Å; S450-V453 PolarHBondContact O-N 3.1Å; S450-A454 WeakPolarHBondContact O-CB 3.37Å; S450-A454 PolarHBondContact O-N 3.5Å
451L68.9Low72Confident107 Ų107108.8 Ų108.856%0.5658%0.575SS**Hα-helixtrans-65.8-41175.8-76.9166.2000112.2W447 H448 A454 S455W447-L451 WeakPolarHBondContact O-CG 3.22Å; W447-L451 PolarHBondContact O-N 3.49Å; H448-L451 PolarHBondContact O-N 2.75Å; L451-A454 PolarHBondContact O-N 2.78Å; L451-S455 WeakPolarHBondContact O-CB 3.17Å; L451-S455 PolarHBondContact O-N 3.47Å; L451-S455 PolarHBondContact O-OG 3.38Å
452L66.7Low71.6Confident116 Ų116107.3 Ų107.361%0.60758%0.575SS**Hα-helixtrans-62.5-45.2176.1-77.2162000111.3H448 T449 A454 S455 T456H448-L452 WeakPolarHBondContact O-CG 2.89Å; H448-L452 PolarHBondContact O-N 3.07Å; T449-L452 PolarHBondContact O-N 2.58Å; L452-A454 VanDerWaalsContact C-N 3.31Å; L452-A454 PolarHBondContact O-N 3.46Å; L452-S455 WeakPolarHBondContact CA-OG 3.24Å; L452-S455 PolarHBondContact O-N 3.48Å; L452-S455 VanDerWaalsContact O-N 3.17Å; L452-S455 PolarHBondContact O-OG 2.93Å; L452-T456 PolarHBondContact O-N 3.22Å; L452-T456 PolarHBondContact O-OG1 2.99Å
453V72.2Confident71.1Confident97 Ų97110.3 Ų110.359%0.58859%0.591SS**Hα-helixtrans-65.8-32176.5174.40000112.2T449 S450 S455 T456T449-V453 VanDerWaalsContact O-CG2 3.32Å; T449-V453 WeakPolarHBondContact O-CG2 3.35Å; T449-V453 PolarHBondContact O-N 3.31Å; S450-V453 PolarHBondContact O-N 3.1Å; V453-S455 VanDerWaalsContact C-N 3.32Å; V453-T456 PolarHBondContact O-OG1 2.69Å; V453-T456 VanDerWaalsContact O-OG1 3.09Å
454A70.3Confident70.7Confident84 Ų84111.2 Ų111.269%0.69460%0.597SS**Hα-helixtrans-77.7-15.8175.500000113.8S450 L451 L452S450-A454 WeakPolarHBondContact O-CB 3.37Å; S450-A454 PolarHBondContact O-N 3.5Å; L451-A454 PolarHBondContact O-N 2.78Å; L452-A454 VanDerWaalsContact C-N 3.31Å; L452-A454 PolarHBondContact O-N 3.46Å
455S66.6Low70.1Confident91 Ų91114.6 Ų114.664%0.63662%0.619SS**Hα-helixtrans-97-6.8179.566.30000114.5L451 L452 V453L451-S455 WeakPolarHBondContact O-CB 3.17Å; L451-S455 PolarHBondContact O-N 3.47Å; L451-S455 PolarHBondContact O-OG 3.38Å; L452-S455 WeakPolarHBondContact CA-OG 3.24Å; L452-S455 PolarHBondContact O-N 3.48Å; L452-S455 VanDerWaalsContact O-N 3.17Å; L452-S455 PolarHBondContact O-OG 2.93Å; V453-S455 VanDerWaalsContact C-N 3.32Å
456T60.1Low69.6Low166 Ų166109.7 Ų109.7100%1.01862%0.618SS**  trans-102.80170.753.80000110L452 V453L452-T456 PolarHBondContact O-N 3.22Å; L452-T456 PolarHBondContact O-OG1 2.99Å; V453-T456 PolarHBondContact O-OG1 2.69Å; V453-T456 VanDerWaalsContact O-OG1 3.09Å

Retrieved 456 of 456 residues in 231.7 ms (Link to these results)

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