A0A044U8T2_ONCVO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A044U8T2, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 120 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
1M37.4Very low44Very low243 Ų24384 Ų84100%1.19746%0.464SS*.  0115.50-79173.8145.500107.8A3M1-A3 PolarHBondContact O-N 3.29Å
2T34.5Very low45.2Very low92 Ų9278.8 Ų78.856%0.56444%0.435SS*.  trans-67.4118.2175-16.80000108.4I4 F85T2-I4 PolarHBondContact O-N 3.09Å; T2-I4 VanDerWaalsContact O-N 3.14Å; T2-F85 WeakPolarHBondContact CG2-O 3.29Å
3A32.7Very low46.2Very low65 Ų6573.2 Ų73.254%0.53740%0.404SS..  trans-70.3109.9175.800000108.5M1 S5M1-A3 PolarHBondContact O-N 3.29Å; A3-S5 PolarHBondContact O-N 3.47Å
4I41.5Very low47.2Very low117 Ų11769.6 Ų69.660%0.639%0.386SS*.  trans-79.5102.1170.6-60.5174.4000106.6T2 S6 V89T2-I4 PolarHBondContact O-N 3.09Å; T2-I4 VanDerWaalsContact O-N 3.14Å; I4-S6 PolarHBondContact O-N 2.93Å; I4-V89 HydrophobicContact CG2-CG2 3.82Å
5S41.3Very low47.9Very low48 Ų4865.4 Ų65.434%0.33636%0.363SS..EExtended strand (participates in β ladder)trans-81.6108.7168.8-173.20000108.1A3 S88 V89A3-S5 PolarHBondContact O-N 3.47Å; S5-S88 CarbonylContact O-C 3.39Å; S5-S88 VanDerWaalsContact O-CA 3.26Å; S5-S88 WeakPolarHBondContact O-CA 3.32Å; S5-V89 PolarHBondContact O-N 3.23Å
6S46.3Very low48.4Very low65 Ų6567.6 Ų67.646%0.45537%0.373SS..EExtended strand (participates in β ladder)trans-98.7115.4173.874.10000110.1I4 V89I4-S6 PolarHBondContact O-N 2.93Å; S6-V89 WeakPolarHBondContact CA-O 3.26Å
7K47.3Very low48.7Very low144 Ų14471 Ų7163%0.62639%0.385SS*.EExtended strand (participates in β ladder)trans-101.4129.2169.6-70.1-174.8179.8177.40108.5V89 L90 K91K7-V89 PolarHBondContact N-O 3.38Å; K7-L90 HydrophobicContact CB-CD1 4.3Å; K7-L90 WeakPolarHBondContact O-CA 3.33Å; K7-K91 PolarHBondContact O-N 2.95Å
8T48.5Very low48.8Very low62 Ų6277.2 Ų77.238%0.3841%0.411SS..EExtended strand (participates in β ladder)trans-101.1111.2172.6-53.80000108.3F10 K91T8-F10 HydrophobicContact CG2-CD2 3.98Å; T8-F10 HydrophobicContact CG2-CE1 4.39Å; T8-F10 HydrophobicContact CG2-CE2 3.63Å; T8-F10 HydrophobicContact CG2-CG 4.5Å; T8-F10 HydrophobicContact CG2-CZ 3.86Å; T8-K91 CarbonylContact C-O 3.35Å; T8-K91 VanDerWaalsContact CA-O 3.27Å; T8-K91 WeakPolarHBondContact CA-O 3.24Å; T8-K91 HydrophobicContact CG2-CB 4.02Å
9I49.7Very low49Very low31 Ų3175.3 Ų75.316%0.15940%0.401CS..EExtended strand (participates in β ladder)trans-87145166.7-64.3-175.7000108V11 M37 T53 L90 K91 I92 A93I9-V11 HydrophobicContact CG2-CG2 4.1Å; I9-M37 HydrophobicContact CG2-SD 4.23Å; I9-T53 HydrophobicContact CB-CG2 4.45Å; I9-T53 HydrophobicContact CD1-CG2 3.88Å; I9-T53 HydrophobicContact CG1-CG2 3.78Å; I9-T53 HydrophobicContact CG2-CG2 4.07Å; I9-L90 HydrophobicContact CB-CD1 4.5Å; I9-L90 HydrophobicContact CD1-CD1 3.61Å; I9-L90 HydrophobicContact CD1-CD2 4.25Å; I9-L90 HydrophobicContact CD1-CG 4.36Å; I9-L90 HydrophobicContact CG1-CD1 3.69Å; I9-K91 PolarHBondContact N-O 2.74Å; I9-I92 HydrophobicContact CB-CG1 4.46Å; I9-I92 CarbonylContact O-C 3.57Å; I9-I92 VanDerWaalsContact O-CA 3.24Å; I9-I92 WeakPolarHBondContact O-CA 3.27Å; I9-A93 PolarHBondContact O-N 3.22Å
10F50.7Low49Very low57 Ų5775.3 Ų75.325%0.2541%0.407CS..EExtended strand (participates in β ladder)trans-128.5118.2-172.3-92.9-65.9000106T8 A52 I56 A93T8-F10 HydrophobicContact CG2-CD2 3.98Å; T8-F10 HydrophobicContact CG2-CE1 4.39Å; T8-F10 HydrophobicContact CG2-CE2 3.63Å; T8-F10 HydrophobicContact CG2-CG 4.5Å; T8-F10 HydrophobicContact CG2-CZ 3.86Å; F10-A52 VanDerWaalsContact O-O 3.09Å; F10-I56 VanDerWaalsContact C-CD1 3.49Å; F10-I56 HydrophobicContact CB-CB 3.45Å; F10-I56 VanDerWaalsContact CB-CB 3.45Å; F10-I56 HydrophobicContact CB-CD1 3.43Å; F10-I56 VanDerWaalsContact CB-CD1 3.43Å; F10-I56 HydrophobicContact CB-CG1 3.47Å; F10-I56 VanDerWaalsContact CB-CG1 3.47Å; F10-I56 HydrophobicContact CB-CG2 4.14Å; F10-I56 HydrophobicContact CD1-CB 3.79Å; F10-I56 HydrophobicContact CD1-CD1 3.89Å; F10-I56 HydrophobicContact CD1-CG1 4.3Å; F10-I56 HydrophobicContact CD1-CG2 3.45Å; F10-I56 VanDerWaalsContact CD1-CG2 3.45Å; F10-I56 HydrophobicContact CD2-CB 4.29Å; F10-I56 HydrophobicContact CE1-CG2 3.92Å; F10-I56 HydrophobicContact CG-CB 3.6Å; F10-I56 HydrophobicContact CG-CD1 4.05Å; F10-I56 HydrophobicContact CG-CG1 4.13Å; F10-I56 HydrophobicContact CG-CG2 3.81Å; F10-A93 CarbonylContact C-O 3.6Å; F10-A93 WeakPolarHBondContact CA-O 3.44Å; F10-A93 HydrophobicContact CD1-CB 3.48Å; F10-A93 VanDerWaalsContact CD1-CB 3.48Å; F10-A93 HydrophobicContact CE1-CB 3.57Å; F10-A93 HydrophobicContact CG-CB 4.44Å
11V54.1Low49.1Very low0 Ų078.9 Ų78.90%042%0.419CS..EExtended strand (participates in β ladder)trans-112.8113.2-175-177.70000108.5I9 L13 L33 M37 I51 I92 A93 F94 V95I9-V11 HydrophobicContact CG2-CG2 4.1Å; V11-L13 HydrophobicContact CG1-CD2 3.89Å; V11-L13 HydrophobicContact CG1-CG 4.19Å; V11-L13 PolarHBondContact O-N 2.82Å; V11-L33 HydrophobicContact CG1-CD2 4.29Å; V11-M37 HydrophobicContact CG2-SD 3.75Å; V11-I51 HydrophobicContact CG1-CG1 4.5Å; V11-I92 HydrophobicContact CG2-CG2 3.71Å; V11-A93 PolarHBondContact N-O 2.88Å; V11-F94 HydrophobicContact CB-CD1 3.74Å; V11-F94 HydrophobicContact CB-CE1 3.8Å; V11-F94 HydrophobicContact CG1-CD1 3.94Å; V11-F94 HydrophobicContact CG1-CE1 3.87Å; V11-F94 HydrophobicContact CG2-CD1 4.47Å; V11-F94 HydrophobicContact CG2-CE1 4.1Å; V11-F94 WeakPolarHBondContact O-CA 3.31Å; V11-V95 PolarHBondContact O-N 3.24Å
12L58.2Low50Low22 Ų2270 Ų7012%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-81.6111169.7-177.269.3000108.1I59 V95 A97L12-I59 HydrophobicContact CB-CD1 3.95Å; L12-I59 HydrophobicContact CD1-CD1 4.5Å; L12-I59 HydrophobicContact CD1-CG2 4.14Å; L12-I59 HydrophobicContact CD2-CD1 3.6Å; L12-I59 HydrophobicContact CD2-CG1 4.37Å; L12-I59 HydrophobicContact CD2-CG2 4.46Å; L12-I59 HydrophobicContact CG-CD1 4.2Å; L12-V95 HydrophobicContact CD1-CB 4.01Å; L12-V95 HydrophobicContact CD1-CG1 3.82Å; L12-A97 HydrophobicContact CD1-CB 3.96Å
13L58.2Low51.1Low5 Ų566.1 Ų66.13%0.02635%0.35CS..EExtended strand (participates in β ladder)trans-94.5122.9165.5-61.1177.2000107V11 F26 L29 L33 I49 F94 V95 W96 A97V11-L13 HydrophobicContact CG1-CD2 3.89Å; V11-L13 HydrophobicContact CG1-CG 4.19Å; V11-L13 PolarHBondContact O-N 2.82Å; L13-F26 HydrophobicContact CD1-CE2 3.45Å; L13-F26 VanDerWaalsContact CD1-CE2 3.45Å; L13-F26 HydrophobicContact CD1-CZ 4.04Å; L13-L29 HydrophobicContact CD1-CD2 4.2Å; L13-L33 HydrophobicContact CD1-CD1 3.83Å; L13-L33 HydrophobicContact CD2-CD1 3.76Å; L13-L33 HydrophobicContact CD2-CD2 3.71Å; L13-L33 HydrophobicContact CD2-CG 4.4Å; L13-L33 HydrophobicContact CG-CD1 4.42Å; L13-I49 HydrophobicContact CD2-CG1 4.22Å; L13-F94 HydrophobicContact CD1-CB 4.44Å; L13-F94 HydrophobicContact CD1-CD1 3.56Å; L13-F94 HydrophobicContact CD1-CE1 4.27Å; L13-F94 HydrophobicContact CD1-CG 4.37Å; L13-F94 HydrophobicContact CG-CD1 3.97Å; L13-V95 PolarHBondContact N-O 2.8Å; L13-W96 HydrophobicContact CB-CE3 3.56Å; L13-W96 HydrophobicContact CB-CZ3 3.89Å; L13-W96 HydrophobicContact CD1-CE3 4.3Å; L13-W96 CarbonylContact O-C 3.47Å; L13-W96 VanDerWaalsContact O-CA 3.27Å; L13-W96 WeakPolarHBondContact O-CA 3.46Å; L13-A97 PolarHBondContact O-N 2.99Å
14C60.2Low52.3Low23 Ų2370.7 Ų70.716%0.15537%0.365CS..EExtended strand (participates in β ladder)trans-122.8147.717378.40000110.4A97 C99C14-A97 WeakPolarHBondContact CA-O 3.17Å; C14-A97 WeakPolarHBondContact CB-O 3.45Å; C14-C99 VanDerWaalsContact CA-SG 3.56Å; C14-C99 HydrophobicContact CB-CB 3.84Å; C14-C99 WeakPolarHBondContact CB-SG 3.36Å; C14-C99 PolarHBondContact O-SG 3.11Å; C14-C99 VanDerWaalsContact O-SG 3.35Å; C14-C99 VanDerWaalsContact SG-CA 3.52Å; C14-C99 WeakPolarHBondContact SG-CB 3.32Å; C14-C99 CovalentContact SG-SG 2.03Å; C14-C99 PolarHBondContact SG-SG 2.92Å
15S57.8Low53Low7 Ų772.7 Ų72.75%0.04937%0.37CS..EExtended strand (participates in β ladder)trans-107135.4172.4175.30000110Q17 I19 A97 C99S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 WeakPolarHBondContact CB-O 3.5Å; S15-Q17 PolarHBondContact OG-N 3.13Å; S15-Q17 VanDerWaalsContact OG-N 3.17Å; S15-Q17 PolarHBondContact OG-O 3.07Å; S15-I19 WeakPolarHBondContact OG-CD1 2.97Å; S15-I19 VanDerWaalsContact OG-CG1 3.28Å; S15-I19 WeakPolarHBondContact OG-CG1 3.45Å; S15-A97 PolarHBondContact N-O 3.4Å; S15-A97 VanDerWaalsContact N-O 3.11Å; S15-C99 PolarHBondContact N-SG 3.39Å; S15-C99 WeakPolarHBondContact O-CB 2.91Å; S15-C99 PolarHBondContact O-N 3.49Å
16I55.4Low53.8Low101 Ų10170.7 Ų70.752%0.51836%0.355SS..SBendtrans-76.3-24.6173.6-60.1171.6000110.5C99 N100I16-C99 HydrophobicContact CG1-CB 4.17Å; I16-N100 PolarHBondContact O-ND2 3.27Å
17Q54.3Low54.1Low125 Ų12571.5 Ų71.558%0.58436%0.359SS*.SBendtrans-90.6145.5172.7-66177.6-20.100109.4S15 I19S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-Q17 WeakPolarHBondContact CB-O 3.5Å; S15-Q17 PolarHBondContact OG-N 3.13Å; S15-Q17 VanDerWaalsContact OG-N 3.17Å; S15-Q17 PolarHBondContact OG-O 3.07Å; Q17-I19 HydrophobicContact CB-CD1 4.46Å; Q17-I19 HydrophobicContact CB-CG1 3.99Å; Q17-I19 PolarHBondContact O-N 3.21Å
18Q50.7Low54.5Low182 Ų18271.7 Ų71.785%0.8536%0.36SS*.  trans-63.983170.1-83.1-176-15.900109.2
19I51.8Low54.8Low42 Ų4269 Ų6922%0.21534%0.343CS..  trans-97.5100.9175-53179.1000106.1S15 Q17 K21 Y47 W96S15-I19 WeakPolarHBondContact OG-CD1 2.97Å; S15-I19 VanDerWaalsContact OG-CG1 3.28Å; S15-I19 WeakPolarHBondContact OG-CG1 3.45Å; Q17-I19 HydrophobicContact CB-CD1 4.46Å; Q17-I19 HydrophobicContact CB-CG1 3.99Å; Q17-I19 PolarHBondContact O-N 3.21Å; I19-K21 WeakPolarHBondContact CG2-O 3.11Å; I19-K21 PolarHBondContact O-N 3.23Å; I19-Y47 HydrophobicContact CD1-CE1 3.77Å; I19-W96 HydrophobicContact CB-CZ2 4.25Å; I19-W96 HydrophobicContact CD1-CZ2 4.33Å
20S49.5Very low55Low75 Ų7568.7 Ų68.752%0.52434%0.341SS..  trans-73.75.8173.656.50000113.2Y69S20-Y69 WeakPolarHBondContact O-CE2 3.33Å; S20-Y69 PolarHBondContact O-OH 2.97Å
21K51.9Low55.1Low150 Ų15069.3 Ų69.365%0.65235%0.349SS*.SBendtrans-133.7133.2-180-66.3-174180-178.30109.6I19I19-K21 WeakPolarHBondContact CG2-O 3.11Å; I19-K21 PolarHBondContact O-N 3.23Å
22F56.4Low55Low56 Ų5670.9 Ų70.925%0.24636%0.358CS..  trans-55.4130.4164.5-164.7-113.9000108.8D24 F26 F74 W96F22-D24 PolarHBondContact O-N 3.42Å; F22-F26 HydrophobicContact CD1-CB 3.89Å; F22-F26 HydrophobicContact CD1-CD1 4.45Å; F22-F26 HydrophobicContact CD1-CD2 4.18Å; F22-F26 AromaticContact CD1-CG 3.95Å; F22-F26 HydrophobicContact CD1-CG 3.95Å; F22-F26 HydrophobicContact CE1-CB 3.37Å; F22-F26 AromaticContact CE1-CD1 3.21Å; F22-F26 HydrophobicContact CE1-CD1 3.21Å; F22-F26 AromaticContact CE1-CD2 3.36Å; F22-F26 HydrophobicContact CE1-CD2 3.36Å; F22-F26 AromaticContact CE1-CE1 3.77Å; F22-F26 HydrophobicContact CE1-CE1 3.77Å; F22-F26 AromaticContact CE1-CE2 3.89Å; F22-F26 HydrophobicContact CE1-CE2 3.89Å; F22-F26 AromaticContact CE1-CG 3Å; F22-F26 HydrophobicContact CE1-CG 3Å; F22-F26 HydrophobicContact CE1-CZ 4.1Å; F22-F26 AromaticContact CE2-CD2 3.71Å; F22-F26 HydrophobicContact CE2-CD2 3.71Å; F22-F26 HydrophobicContact CE2-CE1 4.42Å; F22-F26 AromaticContact CE2-CE2 3.58Å; F22-F26 HydrophobicContact CE2-CE2 3.58Å; F22-F26 HydrophobicContact CE2-CG 4.23Å; F22-F26 AromaticContact CE2-CZ 3.98Å; F22-F26 HydrophobicContact CE2-CZ 3.98Å; F22-F26 HydrophobicContact CZ-CB 4.08Å; F22-F26 AromaticContact CZ-CD1 3.3Å; F22-F26 HydrophobicContact CZ-CD1 3.3Å; F22-F26 AromaticContact CZ-CD2 3.11Å; F22-F26 HydrophobicContact CZ-CD2 3.11Å; F22-F26 AromaticContact CZ-CE1 3.32Å; F22-F26 HydrophobicContact CZ-CE1 3.32Å; F22-F26 AromaticContact CZ-CE2 3.13Å; F22-F26 HydrophobicContact CZ-CE2 3.13Å; F22-F26 AromaticContact CZ-CG 3.21Å; F22-F26 HydrophobicContact CZ-CG 3.21Å; F22-F26 AromaticContact CZ-CZ 3.27Å; F22-F26 HydrophobicContact CZ-CZ 3.27Å; F22-F74 HydrophobicContact CE1-CE2 4.12Å; F22-F74 HydrophobicContact CE1-CZ 4.15Å; F22-F74 AromaticContact CZ-CE2 3.81Å; F22-F74 HydrophobicContact CZ-CE2 3.81Å; F22-F74 HydrophobicContact CZ-CZ 4.31Å; F22-W96 HydrophobicContact CD2-CB 4.09Å; F22-W96 HydrophobicContact CD2-CD2 4.27Å; F22-W96 HydrophobicContact CD2-CE3 4.4Å; F22-W96 HydrophobicContact CD2-CG 4.14Å; F22-W96 HydrophobicContact CE2-CB 4.24Å
23P57.3Low54.8Low12 Ų1269.9 Ų69.98%0.07835%0.352CS..  trans-64126.7-172.222.8-31.6000110.1K25 F26 W96P23-K25 PolarHBondContact O-N 2.68Å; P23-F26 VanDerWaalsContact O-CB 3.32Å; P23-F26 WeakPolarHBondContact O-CB 3.28Å; P23-F26 PolarHBondContact O-N 3.47Å; P23-W96 HydrophobicContact CG-CH2 3.97Å; P23-W96 HydrophobicContact CG-CZ3 4.05Å
24D56.7Low54.6Low160 Ų16071.8 Ų71.886%0.85636%0.362SS*.THydrogen-bonded Turntrans-55.2-21.9177.1-61.4-38.3000112.6F22 F26F22-D24 PolarHBondContact O-N 3.42Å; D24-F26 PolarHBondContact O-N 2.73Å
25K57Low54.2Low160 Ų16077 Ų7770%0.69638%0.379SS*.THydrogen-bonded Turntrans-76.38.9174.3-60.8-177.3-178.7177.30113.6P23 P27 K28 L29P23-K25 PolarHBondContact O-N 2.68Å; K25-P27 VanDerWaalsContact C-CD 3.46Å; K25-K28 PolarHBondContact O-N 3.35Å; K25-L29 PolarHBondContact O-N 3.11Å
26F57.6Low53.8Low5 Ų576.8 Ų76.82%0.02238%0.377CS..Hα-helixtrans-53.6-41.5-176.2-161.4-112.2000114.2L13 F22 P23 D24 K28 L29 Q30 F74 F94L13-F26 HydrophobicContact CD1-CE2 3.45Å; L13-F26 VanDerWaalsContact CD1-CE2 3.45Å; L13-F26 HydrophobicContact CD1-CZ 4.04Å; F22-F26 HydrophobicContact CD1-CB 3.89Å; F22-F26 HydrophobicContact CD1-CD1 4.45Å; F22-F26 HydrophobicContact CD1-CD2 4.18Å; F22-F26 AromaticContact CD1-CG 3.95Å; F22-F26 HydrophobicContact CD1-CG 3.95Å; F22-F26 HydrophobicContact CE1-CB 3.37Å; F22-F26 AromaticContact CE1-CD1 3.21Å; F22-F26 HydrophobicContact CE1-CD1 3.21Å; F22-F26 AromaticContact CE1-CD2 3.36Å; F22-F26 HydrophobicContact CE1-CD2 3.36Å; F22-F26 AromaticContact CE1-CE1 3.77Å; F22-F26 HydrophobicContact CE1-CE1 3.77Å; F22-F26 AromaticContact CE1-CE2 3.89Å; F22-F26 HydrophobicContact CE1-CE2 3.89Å; F22-F26 AromaticContact CE1-CG 3Å; F22-F26 HydrophobicContact CE1-CG 3Å; F22-F26 HydrophobicContact CE1-CZ 4.1Å; F22-F26 AromaticContact CE2-CD2 3.71Å; F22-F26 HydrophobicContact CE2-CD2 3.71Å; F22-F26 HydrophobicContact CE2-CE1 4.42Å; F22-F26 AromaticContact CE2-CE2 3.58Å; F22-F26 HydrophobicContact CE2-CE2 3.58Å; F22-F26 HydrophobicContact CE2-CG 4.23Å; F22-F26 AromaticContact CE2-CZ 3.98Å; F22-F26 HydrophobicContact CE2-CZ 3.98Å; F22-F26 HydrophobicContact CZ-CB 4.08Å; F22-F26 AromaticContact CZ-CD1 3.3Å; F22-F26 HydrophobicContact CZ-CD1 3.3Å; F22-F26 AromaticContact CZ-CD2 3.11Å; F22-F26 HydrophobicContact CZ-CD2 3.11Å; F22-F26 AromaticContact CZ-CE1 3.32Å; F22-F26 HydrophobicContact CZ-CE1 3.32Å; F22-F26 AromaticContact CZ-CE2 3.13Å; F22-F26 HydrophobicContact CZ-CE2 3.13Å; F22-F26 AromaticContact CZ-CG 3.21Å; F22-F26 HydrophobicContact CZ-CG 3.21Å; F22-F26 AromaticContact CZ-CZ 3.27Å; F22-F26 HydrophobicContact CZ-CZ 3.27Å; P23-F26 VanDerWaalsContact O-CB 3.32Å; P23-F26 WeakPolarHBondContact O-CB 3.28Å; P23-F26 PolarHBondContact O-N 3.47Å; D24-F26 PolarHBondContact O-N 2.73Å; F26-K28 VanDerWaalsContact C-N 3.27Å; F26-K28 PolarHBondContact O-N 2.98Å; F26-L29 HydrophobicContact CD2-CB 4.49Å; F26-L29 HydrophobicContact CD2-CD2 4.29Å; F26-L29 HydrophobicContact CE2-CD2 4.39Å; F26-L29 CarbonylContact O-C 3.44Å; F26-L29 WeakPolarHBondContact O-CA 3.36Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-L29 VanDerWaalsContact O-N 3.11Å; F26-Q30 HydrophobicContact CD1-CG 3.39Å; F26-Q30 VanDerWaalsContact CE1-CD 3.46Å; F26-Q30 HydrophobicContact CE1-CG 3.21Å; F26-Q30 HydrophobicContact CE2-CG 4.49Å; F26-Q30 HydrophobicContact CG-CG 4.12Å; F26-Q30 HydrophobicContact CZ-CG 3.81Å; F26-Q30 WeakPolarHBondContact O-CB 3.49Å; F26-Q30 WeakPolarHBondContact O-CG 3.35Å; F26-Q30 PolarHBondContact O-N 3.46Å; F26-F74 HydrophobicContact CD1-CD2 4.4Å; F26-F74 HydrophobicContact CD1-CE1 4.29Å; F26-F74 AromaticContact CD1-CE2 3.67Å; F26-F74 HydrophobicContact CD1-CE2 3.67Å; F26-F74 AromaticContact CD1-CZ 3.6Å; F26-F74 HydrophobicContact CD1-CZ 3.6Å; F26-F74 AromaticContact CE1-CD2 3.54Å; F26-F74 HydrophobicContact CE1-CD2 3.54Å; F26-F74 HydrophobicContact CE1-CE1 4.29Å; F26-F74 AromaticContact CE1-CE2 3.16Å; F26-F74 HydrophobicContact CE1-CE2 3.16Å; F26-F74 HydrophobicContact CE1-CG 4.23Å; F26-F74 AromaticContact CE1-CZ 3.58Å; F26-F74 HydrophobicContact CE1-CZ 3.58Å; F26-F74 HydrophobicContact CZ-CD2 4.27Å; F26-F74 HydrophobicContact CZ-CE2 4.04Å; F26-F94 HydrophobicContact CE1-CD2 4.42Å; F26-F94 HydrophobicContact CE1-CG 4.46Å; F26-F94 HydrophobicContact CZ-CB 3.88Å; F26-F94 AromaticContact CZ-CD1 3.97Å; F26-F94 HydrophobicContact CZ-CD1 3.97Å; F26-F94 HydrophobicContact CZ-CD2 4.03Å; F26-F94 AromaticContact CZ-CG 3.67Å; F26-F94 HydrophobicContact CZ-CG 3.67Å
27P52.1Low53.5Low82 Ų8274.3 Ų74.353%0.53236%0.364SS..Hα-helixtrans-60.9-35.6178.3-24.635.3000113.5K25 T31K25-P27 VanDerWaalsContact C-CD 3.46Å; P27-T31 PolarHBondContact O-N 3.17Å; P27-T31 PolarHBondContact O-OG1 3.44Å
28K57.2Low53.1Low149 Ų14973.4 Ų73.465%0.64836%0.362SS*.Hα-helixtrans-73.8-41.3174.4-168.3173.7-177.2176.30111K25 F26 Q30 T31 N32K25-K28 PolarHBondContact O-N 3.35Å; F26-K28 VanDerWaalsContact C-N 3.27Å; F26-K28 PolarHBondContact O-N 2.98Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-Q30 PolarHBondContact O-N 2.7Å; K28-T31 PolarHBondContact O-N 3.13Å; K28-N32 PolarHBondContact O-N 3.04Å; K28-N32 VanDerWaalsContact O-N 3.13Å
29L54.5Low52.9Low6 Ų673.8 Ų73.83%0.03136%0.357CS..Hα-helixtrans-60.6-42.6175.1-150.894.1000110.9L13 K25 F26 N32 L33 I44 Y47L13-L29 HydrophobicContact CD1-CD2 4.2Å; K25-L29 PolarHBondContact O-N 3.11Å; F26-L29 HydrophobicContact CD2-CB 4.49Å; F26-L29 HydrophobicContact CD2-CD2 4.29Å; F26-L29 HydrophobicContact CE2-CD2 4.39Å; F26-L29 CarbonylContact O-C 3.44Å; F26-L29 WeakPolarHBondContact O-CA 3.36Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-L29 VanDerWaalsContact O-N 3.11Å; L29-N32 PolarHBondContact O-N 2.84Å; L29-L33 HydrophobicContact CB-CD1 4.35Å; L29-L33 HydrophobicContact CD2-CD1 3.67Å; L29-L33 HydrophobicContact CG-CD1 3.9Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 VanDerWaalsContact O-CD1 3.27Å; L29-L33 WeakPolarHBondContact O-CD1 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.14Å; L29-L33 PolarHBondContact O-N 2.74Å; L29-I44 HydrophobicContact CD1-CB 4.25Å; L29-I44 HydrophobicContact CD1-CD1 4.07Å; L29-I44 HydrophobicContact CD1-CG2 3.99Å; L29-I44 HydrophobicContact CG-CD1 4.22Å; L29-Y47 HydrophobicContact CD1-CD2 4.03Å; L29-Y47 HydrophobicContact CD1-CG 4.44Å
30Q52.9Low52.5Low24 Ų2473.6 Ų73.611%0.11237%0.365CS..Hα-helixtrans-59.5-48.2176.7-78.1172.2-1300111.7F26 K28 N32 L33 I34 F76F26-Q30 HydrophobicContact CD1-CG 3.39Å; F26-Q30 VanDerWaalsContact CE1-CD 3.46Å; F26-Q30 HydrophobicContact CE1-CG 3.21Å; F26-Q30 HydrophobicContact CE2-CG 4.49Å; F26-Q30 HydrophobicContact CG-CG 4.12Å; F26-Q30 HydrophobicContact CZ-CG 3.81Å; F26-Q30 WeakPolarHBondContact O-CB 3.49Å; F26-Q30 WeakPolarHBondContact O-CG 3.35Å; F26-Q30 PolarHBondContact O-N 3.46Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-Q30 PolarHBondContact O-N 2.7Å; Q30-N32 VanDerWaalsContact C-N 3.31Å; Q30-N32 PolarHBondContact O-N 2.72Å; Q30-L33 WeakPolarHBondContact O-CB 3.44Å; Q30-L33 PolarHBondContact O-N 2.95Å; Q30-I34 WeakPolarHBondContact O-CB 3.44Å; Q30-I34 VanDerWaalsContact O-CG1 3.24Å; Q30-I34 WeakPolarHBondContact O-CG1 3.2Å; Q30-I34 PolarHBondContact O-N 3.11Å; Q30-F76 HydrophobicContact CB-CZ 4.32Å; Q30-F76 HydrophobicContact CG-CZ 4.05Å
31T54.1Low52.4Low69 Ų6975.4 Ų75.442%0.42336%0.364SS..Hα-helixtrans-62.3-44.6-179-57.50000110.3P27 K28 R35P27-T31 PolarHBondContact O-N 3.17Å; P27-T31 PolarHBondContact O-OG1 3.44Å; K28-T31 PolarHBondContact O-N 3.13Å; T31-R35 WeakPolarHBondContact O-CG 3.27Å; T31-R35 PolarHBondContact O-N 3.35Å
32N52.1Low52.1Low34 Ų3471.6 Ų71.618%0.18235%0.348CS..Hα-helixtrans-68.5-40.3176.3-74.29.6000111.7K28 L29 Q30 I34 R35 S36 E42 I44K28-N32 PolarHBondContact O-N 3.04Å; K28-N32 VanDerWaalsContact O-N 3.13Å; L29-N32 PolarHBondContact O-N 2.84Å; Q30-N32 VanDerWaalsContact C-N 3.31Å; Q30-N32 PolarHBondContact O-N 2.72Å; N32-I34 PolarHBondContact O-N 3.48Å; N32-R35 CarbonylContact O-C 3.51Å; N32-R35 WeakPolarHBondContact O-CA 3.24Å; N32-R35 WeakPolarHBondContact O-CB 3.27Å; N32-R35 PolarHBondContact O-N 2.84Å; N32-R35 VanDerWaalsContact O-N 3.13Å; N32-S36 PolarHBondContact O-N 2.9Å; N32-S36 PolarHBondContact O-OG 3.29Å; N32-E42 WeakPolarHBondContact CB-OE2 3.33Å; N32-I44 HydrophobicContact CB-CD1 3.3Å; N32-I44 HydrophobicContact CB-CG1 4.26Å
33L53.9Low51.5Low0 Ų076.2 Ų76.20%037%0.37CS..Hα-helixtrans-58.6-45.7174.3-88.2158000112.8V11 L13 L29 Q30 R35 S36 M37 I49 F94V11-L33 HydrophobicContact CG1-CD2 4.29Å; L13-L33 HydrophobicContact CD1-CD1 3.83Å; L13-L33 HydrophobicContact CD2-CD1 3.76Å; L13-L33 HydrophobicContact CD2-CD2 3.71Å; L13-L33 HydrophobicContact CD2-CG 4.4Å; L13-L33 HydrophobicContact CG-CD1 4.42Å; L29-L33 HydrophobicContact CB-CD1 4.35Å; L29-L33 HydrophobicContact CD2-CD1 3.67Å; L29-L33 HydrophobicContact CG-CD1 3.9Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 VanDerWaalsContact O-CD1 3.27Å; L29-L33 WeakPolarHBondContact O-CD1 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.14Å; L29-L33 PolarHBondContact O-N 2.74Å; Q30-L33 WeakPolarHBondContact O-CB 3.44Å; Q30-L33 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-S36 PolarHBondContact O-N 3.3Å; L33-M37 WeakPolarHBondContact O-CB 3.28Å; L33-M37 WeakPolarHBondContact O-CG 3.44Å; L33-M37 PolarHBondContact O-N 2.03Å; L33-I49 HydrophobicContact CD1-CD1 4.32Å; L33-I49 HydrophobicContact CD2-CB 4.04Å; L33-I49 HydrophobicContact CD2-CD1 3.63Å; L33-I49 HydrophobicContact CD2-CG1 3.77Å; L33-I49 HydrophobicContact CD2-CG2 3.14Å; L33-I49 HydrophobicContact CG-CD1 3.67Å; L33-I49 HydrophobicContact CG-CG1 4.29Å; L33-I49 HydrophobicContact CG-CG2 4.33Å; L33-F94 HydrophobicContact CB-CE1 4.3Å; L33-F94 HydrophobicContact CB-CZ 4.47Å; L33-F94 HydrophobicContact CD1-CD1 4.38Å; L33-F94 HydrophobicContact CD1-CE1 3.75Å; L33-F94 HydrophobicContact CD1-CZ 4.5Å; L33-F94 HydrophobicContact CD2-CE1 4.32Å; L33-F94 HydrophobicContact CG-CE1 4.37Å
34I53Low51.1Low45 Ų4577.1 Ų77.123%0.23138%0.375CS..Hα-helixtrans-64.2-41.3175.8-68.1166.1000109.6Q30 N32 M37 I38 F76 I92Q30-I34 WeakPolarHBondContact O-CB 3.44Å; Q30-I34 VanDerWaalsContact O-CG1 3.24Å; Q30-I34 WeakPolarHBondContact O-CG1 3.2Å; Q30-I34 PolarHBondContact O-N 3.11Å; N32-I34 PolarHBondContact O-N 3.48Å; I34-M37 HydrophobicContact CB-CE 4.35Å; I34-M37 HydrophobicContact CG1-CE 3.92Å; I34-M37 PolarHBondContact O-N 3.46Å; I34-I38 HydrophobicContact CG2-CD1 4.01Å; I34-I38 VanDerWaalsContact O-CG1 3.28Å; I34-I38 WeakPolarHBondContact O-CG1 3.13Å; I34-I38 PolarHBondContact O-N 2.76Å; I34-I38 VanDerWaalsContact O-N 3.11Å; I34-F76 HydrophobicContact CD1-CD1 3.75Å; I34-F76 HydrophobicContact CD1-CE1 3.58Å; I34-F76 HydrophobicContact CD1-CG 4.37Å; I34-F76 HydrophobicContact CD1-CZ 4.05Å; I34-I92 HydrophobicContact CG1-CD1 4.22Å
35R51.4Low51.1Low133 Ų13373.2 Ų73.250%0.50237%0.372SS..Hα-helixtrans-61.9-46.2172.1-74.1175.6178.8-177.9-1.2111.7T31 N32 L33 M37 I38 Y39T31-R35 WeakPolarHBondContact O-CG 3.27Å; T31-R35 PolarHBondContact O-N 3.35Å; N32-R35 CarbonylContact O-C 3.51Å; N32-R35 WeakPolarHBondContact O-CA 3.24Å; N32-R35 WeakPolarHBondContact O-CB 3.27Å; N32-R35 PolarHBondContact O-N 2.84Å; N32-R35 VanDerWaalsContact O-N 3.13Å; L33-R35 VanDerWaalsContact C-N 3.31Å; R35-M37 VanDerWaalsContact C-N 3.28Å; R35-M37 PolarHBondContact O-N 3.35Å; R35-I38 CarbonylContact O-C 3.57Å; R35-I38 PolarHBondContact O-N 2.82Å; R35-Y39 HydrophobicContact CB-CD2 4.11Å; R35-Y39 HydrophobicContact CG-CE2 4.45Å; R35-Y39 WeakPolarHBondContact O-CB 3.15Å; R35-Y39 WeakPolarHBondContact O-CD2 3.37Å; R35-Y39 PolarHBondContact O-N 3.01Å
36S49.7Very low50.7Low3 Ų369.7 Ų69.72%0.02137%0.367CS..Hα-helixtrans-65.6-30.5177.6-44.20000112.7N32 L33 I38 G40 E42N32-S36 PolarHBondContact O-N 2.9Å; N32-S36 PolarHBondContact O-OG 3.29Å; L33-S36 PolarHBondContact O-N 3.3Å; S36-I38 VanDerWaalsContact C-N 3.3Å; S36-G40 WeakPolarHBondContact CA-O 3.34Å; S36-G40 CarbonylContact O-C 3.56Å; S36-G40 WeakPolarHBondContact O-CA 3.12Å; S36-G40 PolarHBondContact O-N 3.03Å; S36-E42 VanDerWaalsContact OG-CB 3.27Å; S36-E42 WeakPolarHBondContact OG-CB 3.2Å; S36-E42 VanDerWaalsContact OG-CG 3.26Å; S36-E42 WeakPolarHBondContact OG-CG 3.35Å; S36-E42 PolarHBondContact OG-OE2 3.2Å
37M48.7Very low50.1Low48 Ų4872 Ų7224%0.23638%0.376CS..Hα-helixtrans-67.4-32.1171.7-77-168.8-58.400112.4I9 V11 L33 I34 R35 I51 I92I9-M37 HydrophobicContact CG2-SD 4.23Å; V11-M37 HydrophobicContact CG2-SD 3.75Å; L33-M37 WeakPolarHBondContact O-CB 3.28Å; L33-M37 WeakPolarHBondContact O-CG 3.44Å; L33-M37 PolarHBondContact O-N 2.03Å; I34-M37 HydrophobicContact CB-CE 4.35Å; I34-M37 HydrophobicContact CG1-CE 3.92Å; I34-M37 PolarHBondContact O-N 3.46Å; R35-M37 VanDerWaalsContact C-N 3.28Å; R35-M37 PolarHBondContact O-N 3.35Å; M37-I51 HydrophobicContact CB-CD1 4.13Å; M37-I51 HydrophobicContact CG-CB 4.32Å; M37-I51 HydrophobicContact CG-CD1 3.27Å; M37-I51 HydrophobicContact CG-CG1 3.53Å; M37-I51 HydrophobicContact CG-CG2 3.89Å; M37-I51 HydrophobicContact SD-CG1 4.32Å; M37-I51 HydrophobicContact SD-CG2 4.1Å; M37-I92 HydrophobicContact CE-CD1 3.47Å; M37-I92 VanDerWaalsContact CE-CD1 3.47Å; M37-I92 HydrophobicContact CE-CG1 4.01Å; M37-I92 HydrophobicContact CE-CG2 4.1Å; M37-I92 HydrophobicContact SD-CG2 4.46Å
38I47.1Very low49.8Very low107 Ų10775.8 Ų75.855%0.54938%0.38SS..Hα-helixtrans-83.6-37.4178-65166.6000111.1I34 R35 S36I34-I38 HydrophobicContact CG2-CD1 4.01Å; I34-I38 VanDerWaalsContact O-CG1 3.28Å; I34-I38 WeakPolarHBondContact O-CG1 3.13Å; I34-I38 PolarHBondContact O-N 2.76Å; I34-I38 VanDerWaalsContact O-N 3.11Å; R35-I38 CarbonylContact O-C 3.57Å; R35-I38 PolarHBondContact O-N 2.82Å; S36-I38 VanDerWaalsContact C-N 3.3Å
39Y45.5Very low49.2Very low190 Ų19069.7 Ų69.775%0.74535%0.354SS*.Hα-helixtrans-114.6-4.3-166.8-61-64.6000115.1R35R35-Y39 HydrophobicContact CB-CD2 4.11Å; R35-Y39 HydrophobicContact CG-CE2 4.45Å; R35-Y39 WeakPolarHBondContact O-CB 3.15Å; R35-Y39 WeakPolarHBondContact O-CD2 3.37Å; R35-Y39 PolarHBondContact O-N 3.01Å
40G42.8Very low48.7Very low37 Ų3773 Ų7338%0.38137%0.374SS..  trans87.6166.1-172.200000113.3S36S36-G40 WeakPolarHBondContact CA-O 3.34Å; S36-G40 CarbonylContact O-C 3.56Å; S36-G40 WeakPolarHBondContact O-CA 3.12Å; S36-G40 PolarHBondContact O-N 3.03Å
41K48.3Very low48.3Very low113 Ų11372.9 Ų72.949%0.49138%0.375SS..  trans-33.7132.9-166.7-62.8-174.3171.6-155.40116.9H119K41-H119 WeakPolarHBondContact CE-CE1 3.25Å; K41-H119 WeakPolarHBondContact CE-NE2 3.11Å; K41-H119 PolarHBondContact NZ-CE1 3.14Å; K41-H119 VanDerWaalsContact NZ-CE1 3.29Å; K41-H119 PolarHBondContact NZ-NE2 3.37Å
42E46.3Very low47.7Very low71 Ų7170.2 Ų70.233%0.33236%0.36SS..  trans-123136.6159.7-66.9-174.7159.100110.6N32 S36 I44N32-E42 WeakPolarHBondContact CB-OE2 3.33Å; S36-E42 VanDerWaalsContact OG-CB 3.27Å; S36-E42 WeakPolarHBondContact OG-CB 3.2Å; S36-E42 VanDerWaalsContact OG-CG 3.26Å; S36-E42 WeakPolarHBondContact OG-CG 3.35Å; S36-E42 PolarHBondContact OG-OE2 3.2Å; E42-I44 HydrophobicContact CB-CG1 4.34Å
43E44.1Very low47.2Very low152 Ų15272.8 Ų72.871%0.7138%0.376SS*.EExtended strand (participates in β ladder)trans-83.4127.2158-76-170149.200108.5
44I48.4Very low46.4Very low32 Ų3275.4 Ų75.416%0.16440%0.398CS..EExtended strand (participates in β ladder)trans-116.293.8176.1-50.9176.2000108.1L29 N32 E42 S46 Y47 I49L29-I44 HydrophobicContact CD1-CB 4.25Å; L29-I44 HydrophobicContact CD1-CD1 4.07Å; L29-I44 HydrophobicContact CD1-CG2 3.99Å; L29-I44 HydrophobicContact CG-CD1 4.22Å; N32-I44 HydrophobicContact CB-CD1 3.3Å; N32-I44 HydrophobicContact CB-CG1 4.26Å; E42-I44 HydrophobicContact CB-CG1 4.34Å; I44-S46 PolarHBondContact O-N 3.46Å; I44-Y47 PolarHBondContact N-O 3.27Å; I44-Y47 WeakPolarHBondContact O-CB 3.33Å; I44-Y47 VanDerWaalsContact O-CD2 3.29Å; I44-Y47 WeakPolarHBondContact O-CD2 3.49Å; I44-Y47 PolarHBondContact O-N 2.78Å; I44-Y47 VanDerWaalsContact O-N 3.09Å; I44-I49 HydrophobicContact CD1-CD1 3.39Å; I44-I49 HydrophobicContact CG1-CD1 3.92Å
45G57.1Low45.8Very low78 Ų7874.4 Ų74.480%0.80439%0.393SS*.THydrogen-bonded Turntrans62.6-122.7-176.900000111.5
46S47.7Very low45.3Very low85 Ų8568.2 Ų68.259%0.59437%0.37SS*.THydrogen-bonded Turntrans-89.11.4176.553.80000114.2I44I44-S46 PolarHBondContact O-N 3.46Å
47Y44.2Very low44.5Very low55 Ų5573.3 Ų73.322%0.21640%0.401CS..EExtended strand (participates in β ladder)trans-92.2125.9-175.7-58.6-74.2000111.4I19 L29 I44 W96I19-Y47 HydrophobicContact CD1-CE1 3.77Å; L29-Y47 HydrophobicContact CD1-CD2 4.03Å; L29-Y47 HydrophobicContact CD1-CG 4.44Å; I44-Y47 PolarHBondContact N-O 3.27Å; I44-Y47 WeakPolarHBondContact O-CB 3.33Å; I44-Y47 VanDerWaalsContact O-CD2 3.29Å; I44-Y47 WeakPolarHBondContact O-CD2 3.49Å; I44-Y47 PolarHBondContact O-N 2.78Å; I44-Y47 VanDerWaalsContact O-N 3.09Å; Y47-W96 HydrophobicContact CD1-CH2 4.28Å; Y47-W96 AromaticContact CE1-CH2 3.99Å; Y47-W96 HydrophobicContact CE1-CH2 3.99Å
48R46.3Very low43.7Very low161 Ų16178.3 Ų78.361%0.60842%0.422SS*.EExtended strand (participates in β ladder)trans-93.8123.9165.3-74.4-174.6174.4-179.30.4109.5
49I45.3Very low43.3Very low21 Ų2173.6 Ų73.611%0.10840%0.398CS..  trans-104.2119.4179.8-74.4164.1000108.2L13 L33 I44 I51L13-I49 HydrophobicContact CD2-CG1 4.22Å; L33-I49 HydrophobicContact CD1-CD1 4.32Å; L33-I49 HydrophobicContact CD2-CB 4.04Å; L33-I49 HydrophobicContact CD2-CD1 3.63Å; L33-I49 HydrophobicContact CD2-CG1 3.77Å; L33-I49 HydrophobicContact CD2-CG2 3.14Å; L33-I49 HydrophobicContact CG-CD1 3.67Å; L33-I49 HydrophobicContact CG-CG1 4.29Å; L33-I49 HydrophobicContact CG-CG2 4.33Å; I44-I49 HydrophobicContact CD1-CD1 3.39Å; I44-I49 HydrophobicContact CG1-CD1 3.92Å; I49-I51 HydrophobicContact CG2-CD1 4.33Å; I49-I51 HydrophobicContact CG2-CG1 4.21Å
50T43.7Very low43Very low74 Ų7469.6 Ų69.645%0.45439%0.388SS..  trans-116.5112172.4-55.80000108.6A52T50-A52 PolarHBondContact O-N 2.84Å
51I44.9Very low42.7Very low23 Ų2372.8 Ų72.812%0.11840%0.4CS..  trans-84.9108.9174.9-63.3140.9000107.3V11 M37 I49V11-I51 HydrophobicContact CG1-CG1 4.5Å; M37-I51 HydrophobicContact CB-CD1 4.13Å; M37-I51 HydrophobicContact CG-CB 4.32Å; M37-I51 HydrophobicContact CG-CD1 3.27Å; M37-I51 HydrophobicContact CG-CG1 3.53Å; M37-I51 HydrophobicContact CG-CG2 3.89Å; M37-I51 HydrophobicContact SD-CG1 4.32Å; M37-I51 HydrophobicContact SD-CG2 4.1Å; I49-I51 HydrophobicContact CG2-CD1 4.33Å; I49-I51 HydrophobicContact CG2-CG1 4.21Å
52A42Very low42.5Very low13 Ų1369 Ų6911%0.10739%0.385CS..  trans-110.789.5178.700000109.8F10 T50 A54 L55F10-A52 VanDerWaalsContact O-O 3.09Å; T50-A52 PolarHBondContact O-N 2.84Å; A52-A54 PolarHBondContact O-N 2.66Å; A52-L55 HydrophobicContact CB-CB 3.81Å; A52-L55 PolarHBondContact O-N 3.29Å
53T40.3Very low42.5Very low87 Ų8770.6 Ų70.653%0.53440%0.404SS..THydrogen-bonded Turntrans-63.9-14.3-173.9-21.30000114I9I9-T53 HydrophobicContact CB-CG2 4.45Å; I9-T53 HydrophobicContact CD1-CG2 3.88Å; I9-T53 HydrophobicContact CG1-CG2 3.78Å; I9-T53 HydrophobicContact CG2-CG2 4.07Å
54A37.8Very low42.7Very low56 Ų5670 Ų7046%0.46340%0.401SS..THydrogen-bonded Turntrans-116.3-1.3-174.300000114.8A52 Y114A52-A54 PolarHBondContact O-N 2.66Å; A54-Y114 HydrophobicContact CB-CE1 3.51Å; A54-Y114 VanDerWaalsContact CB-OH 3.25Å; A54-Y114 WeakPolarHBondContact CB-OH 3.12Å
55L39.6Very low42.8Very low24 Ų2469.3 Ų69.313%0.12640%0.399CS..  trans-109.8-3.3-157.8-134.293000116.4A52 K58 I59 V106 Y114A52-L55 HydrophobicContact CB-CB 3.81Å; A52-L55 PolarHBondContact O-N 3.29Å; L55-K58 PolarHBondContact O-N 3.25Å; L55-I59 HydrophobicContact CB-CD1 3.89Å; L55-I59 HydrophobicContact CD2-CD1 3.79Å; L55-I59 HydrophobicContact CD2-CG1 3.96Å; L55-I59 HydrophobicContact CG-CD1 4.26Å; L55-I59 HydrophobicContact CG-CG1 4.45Å; L55-I59 WeakPolarHBondContact O-CB 2.97Å; L55-I59 VanDerWaalsContact O-CD1 3.31Å; L55-I59 WeakPolarHBondContact O-CD1 3.17Å; L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 3.06Å; L55-V106 HydrophobicContact CD2-CG1 4.44Å; L55-V106 HydrophobicContact CD2-CG2 4.23Å; L55-Y114 HydrophobicContact CD1-CD2 4.37Å; L55-Y114 HydrophobicContact CD1-CE2 4.12Å
56I41.2Very low42.5Very low3 Ų370 Ų702%0.01539%0.388CS..Hα-helixtrans-81-23.2-176.2-66.5-160.7000113.8F10 K58 I59 I60 V95F10-I56 VanDerWaalsContact C-CD1 3.49Å; F10-I56 HydrophobicContact CB-CB 3.45Å; F10-I56 VanDerWaalsContact CB-CB 3.45Å; F10-I56 HydrophobicContact CB-CD1 3.43Å; F10-I56 VanDerWaalsContact CB-CD1 3.43Å; F10-I56 HydrophobicContact CB-CG1 3.47Å; F10-I56 VanDerWaalsContact CB-CG1 3.47Å; F10-I56 HydrophobicContact CB-CG2 4.14Å; F10-I56 HydrophobicContact CD1-CB 3.79Å; F10-I56 HydrophobicContact CD1-CD1 3.89Å; F10-I56 HydrophobicContact CD1-CG1 4.3Å; F10-I56 HydrophobicContact CD1-CG2 3.45Å; F10-I56 VanDerWaalsContact CD1-CG2 3.45Å; F10-I56 HydrophobicContact CD2-CB 4.29Å; F10-I56 HydrophobicContact CE1-CG2 3.92Å; F10-I56 HydrophobicContact CG-CB 3.6Å; F10-I56 HydrophobicContact CG-CD1 4.05Å; F10-I56 HydrophobicContact CG-CG1 4.13Å; F10-I56 HydrophobicContact CG-CG2 3.81Å; I56-K58 VanDerWaalsContact C-N 3.29Å; I56-K58 PolarHBondContact O-N 2.72Å; I56-I59 HydrophobicContact CG1-CD1 4.15Å; I56-I59 PolarHBondContact O-N 3.18Å; I56-I60 HydrophobicContact CG2-CD1 3.34Å; I56-I60 HydrophobicContact CG2-CG1 3.6Å; I56-I60 VanDerWaalsContact O-CB 3.26Å; I56-I60 WeakPolarHBondContact O-CB 3.11Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.27Å; I56-I60 PolarHBondContact O-N 3.41Å; I56-V95 HydrophobicContact CD1-CB 4.02Å; I56-V95 HydrophobicContact CD1-CG2 3.58Å; I56-V95 HydrophobicContact CG2-CG2 4.29Å
57T32.5Very low42.7Very low110 Ų11069 Ų6968%0.67538%0.378SS*.Hα-helixtrans-61.9-41.9167.4-39.80000110.1T61T57-T61 WeakPolarHBondContact O-CB 3.16Å; T57-T61 PolarHBondContact O-N 2.75Å; T57-T61 VanDerWaalsContact O-N 3.14Å; T57-T61 PolarHBondContact O-OG1 3.41Å
58K32.2Very low42.8Very low153 Ų15369.7 Ų69.767%0.66539%0.389SS*.Hα-helixtrans-71.6-40.2174.2-83.8-172176.1-1760113.1L55 I56 T61 L62L55-K58 PolarHBondContact O-N 3.25Å; I56-K58 VanDerWaalsContact C-N 3.29Å; I56-K58 PolarHBondContact O-N 2.72Å; K58-T61 CarbonylContact O-C 3.52Å; K58-T61 WeakPolarHBondContact O-CA 3.33Å; K58-T61 PolarHBondContact O-N 3.05Å; K58-T61 VanDerWaalsContact O-N 3.16Å; K58-L62 WeakPolarHBondContact O-CG 3.33Å; K58-L62 PolarHBondContact O-N 2.91Å
59I38.9Very low42.7Very low8 Ų867.3 Ų67.34%0.04138%0.381CS..Hα-helixtrans-68.8-35.4179.4-64.5155.7000112.4L12 L55 I56 T61 L62L12-I59 HydrophobicContact CB-CD1 3.95Å; L12-I59 HydrophobicContact CD1-CD1 4.5Å; L12-I59 HydrophobicContact CD1-CG2 4.14Å; L12-I59 HydrophobicContact CD2-CD1 3.6Å; L12-I59 HydrophobicContact CD2-CG1 4.37Å; L12-I59 HydrophobicContact CD2-CG2 4.46Å; L12-I59 HydrophobicContact CG-CD1 4.2Å; L55-I59 HydrophobicContact CB-CD1 3.89Å; L55-I59 HydrophobicContact CD2-CD1 3.79Å; L55-I59 HydrophobicContact CD2-CG1 3.96Å; L55-I59 HydrophobicContact CG-CD1 4.26Å; L55-I59 HydrophobicContact CG-CG1 4.45Å; L55-I59 WeakPolarHBondContact O-CB 2.97Å; L55-I59 VanDerWaalsContact O-CD1 3.31Å; L55-I59 WeakPolarHBondContact O-CD1 3.17Å; L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 3.06Å; I56-I59 HydrophobicContact CG1-CD1 4.15Å; I56-I59 PolarHBondContact O-N 3.18Å; I59-T61 VanDerWaalsContact C-N 3.3Å; I59-L62 HydrophobicContact CB-CD1 4.41Å; I59-L62 HydrophobicContact CG1-CD1 4.3Å; I59-L62 HydrophobicContact CG2-CD1 4.46Å; I59-L62 WeakPolarHBondContact O-CB 3.49Å; I59-L62 PolarHBondContact O-N 2.9Å
60I39.6Very low42.3Very low106 Ų10669.2 Ų69.254%0.54441%0.406SS..Hα-helixtrans-69.4-32.2171.6-69171.5000110.6I56 L62I56-I60 HydrophobicContact CG2-CD1 3.34Å; I56-I60 HydrophobicContact CG2-CG1 3.6Å; I56-I60 VanDerWaalsContact O-CB 3.26Å; I56-I60 WeakPolarHBondContact O-CB 3.11Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.27Å; I56-I60 PolarHBondContact O-N 3.41Å; I60-L62 PolarHBondContact O-N 2.79Å
61T37.4Very low42.1Very low103 Ų10369.5 Ų69.563%0.63240%0.404SS*.THydrogen-bonded Turntrans-79-4.1172.5-33.10000113T57 K58 I59 S63T57-T61 WeakPolarHBondContact O-CB 3.16Å; T57-T61 PolarHBondContact O-N 2.75Å; T57-T61 VanDerWaalsContact O-N 3.14Å; T57-T61 PolarHBondContact O-OG1 3.41Å; K58-T61 CarbonylContact O-C 3.52Å; K58-T61 WeakPolarHBondContact O-CA 3.33Å; K58-T61 PolarHBondContact O-N 3.05Å; K58-T61 VanDerWaalsContact O-N 3.16Å; I59-T61 VanDerWaalsContact C-N 3.3Å; T61-S63 VanDerWaalsContact C-N 3.3Å; T61-S63 PolarHBondContact O-N 2.05Å
62L43.9Very low41.7Very low35 Ų3571.4 Ų71.418%0.18342%0.417CS..  trans-73.191.4169.1-70.5171.1000108K58 I59 I60 H64 C65 S105K58-L62 WeakPolarHBondContact O-CG 3.33Å; K58-L62 PolarHBondContact O-N 2.91Å; I59-L62 HydrophobicContact CB-CD1 4.41Å; I59-L62 HydrophobicContact CG1-CD1 4.3Å; I59-L62 HydrophobicContact CG2-CD1 4.46Å; I59-L62 WeakPolarHBondContact O-CB 3.49Å; I59-L62 PolarHBondContact O-N 2.9Å; I60-L62 PolarHBondContact O-N 2.79Å; L62-H64 PolarHBondContact O-N 3.47Å; L62-C65 HydrophobicContact CB-CB 4.45Å; L62-C65 PolarHBondContact O-N 3.45Å; L62-C65 VanDerWaalsContact O-N 3.14Å; L62-S105 WeakPolarHBondContact CD1-OG 3.4Å
63S45.5Very low41.4Very low104 Ų10478.8 Ų78.873%0.72744%0.443SS*.THydrogen-bonded Turntrans-535.5167.943.90000115.1T61T61-S63 VanDerWaalsContact C-N 3.3Å; T61-S63 PolarHBondContact O-N 2.05Å
64H49.4Very low41.1Very low138 Ų13877.5 Ų77.564%0.63943%0.43SS*.THydrogen-bonded Turntrans-126.7-3.1-172.9-53.9-59.8000113.7L62L62-H64 PolarHBondContact O-N 3.47Å
65C50.4Low40.8Very low18 Ų1882.2 Ų82.212%0.12244%0.436CS..  trans-92.499.9169.2-77.80000108.7L62 V67 C102L62-C65 HydrophobicContact CB-CB 4.45Å; L62-C65 PolarHBondContact O-N 3.45Å; L62-C65 VanDerWaalsContact O-N 3.14Å; C65-V67 PolarHBondContact O-N 3.27Å; C65-C102 WeakPolarHBondContact CB-SG 3.45Å; C65-C102 WeakPolarHBondContact SG-CA 3.44Å; C65-C102 WeakPolarHBondContact SG-CB 3.26Å; C65-C102 CovalentContact SG-SG 2.05Å; C65-C102 PolarHBondContact SG-SG 2.86Å
66T50.4Low40.6Very low93 Ų9383.2 Ų83.257%0.57144%0.439SS*.  trans-63.4110.7159.524.50000107.2P68 Q101T66-P68 WeakPolarHBondContact O-CD 3.35Å; T66-Q101 PolarHBondContact OG1-OE1 2.75Å
67V50.8Low40.3Very low63 Ų6389.9 Ų89.938%0.38247%0.465SS..  trans-88.198.4169.8-178.70000105.5C65 Y69 V95C65-V67 PolarHBondContact O-N 3.27Å; V67-Y69 WeakPolarHBondContact CG1-O 3.43Å; V67-Y69 PolarHBondContact O-N 3.06Å; V67-V95 HydrophobicContact CG1-CG1 4.43Å; V67-V95 HydrophobicContact CG2-CG1 4.41Å
68P46.7Very low40.4Very low71 Ų7186.8 Ų86.846%0.46145%0.448SS..  trans-71.4-14.6-167.326.9-32.7000113.1T66T66-P68 WeakPolarHBondContact O-CD 3.35Å
69Y44Very low40.5Very low111 Ų11182.2 Ų82.244%0.43544%0.436SS..SBendtrans-136.8127.6-177.5-63.3-75.6000110.2S20 V67S20-Y69 WeakPolarHBondContact O-CE2 3.33Å; S20-Y69 PolarHBondContact O-OH 2.97Å; V67-Y69 WeakPolarHBondContact CG1-O 3.43Å; V67-Y69 PolarHBondContact O-N 3.06Å
70G37.6Very low40.4Very low61 Ų6187.1 Ų87.163%0.62946%0.461SS*.  trans-43.3145.4-169.500000113.8T72G70-T72 VanDerWaalsContact C-N 3.29Å; G70-T72 PolarHBondContact O-N 3.44Å; G70-T72 PolarHBondContact O-OG1 3.04Å; G70-T72 VanDerWaalsContact O-OG1 3.06Å
71L38.3Very low40.2Very low80 Ų8091.3 Ų91.342%0.41947%0.471SS..  trans-41.396.5165.3-79.6152.3000109.1Y73 V95L71-Y73 VanDerWaalsContact C-N 3.34Å; L71-Y73 HydrophobicContact CB-CD2 4.14Å; L71-Y73 HydrophobicContact CB-CE2 3.66Å; L71-Y73 WeakPolarHBondContact O-CD2 3.13Å; L71-Y73 PolarHBondContact O-N 3.32Å; L71-Y73 VanDerWaalsContact O-N 3.09Å; L71-V95 HydrophobicContact CD2-CG2 4.06Å
72T37.3Very low40Very low63 Ų6390 Ų9039%0.38747%0.466SS..BIsolated β-bridgetrans-85.594.2175.8-49.60000104.9G70 F74G70-T72 VanDerWaalsContact C-N 3.29Å; G70-T72 PolarHBondContact O-N 3.44Å; G70-T72 PolarHBondContact O-OG1 3.04Å; G70-T72 VanDerWaalsContact O-OG1 3.06Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 HydrophobicContact CG2-CD2 3.83Å; T72-F74 HydrophobicContact CG2-CE1 4.27Å; T72-F74 HydrophobicContact CG2-CE2 3.17Å; T72-F74 HydrophobicContact CG2-CZ 3.45Å; T72-F74 VanDerWaalsContact CG2-CZ 3.45Å; T72-F74 WeakPolarHBondContact O-CD2 3.41Å; T72-F74 PolarHBondContact O-N 3.3Å
73Y35.1Very low39.8Very low168 Ų16896.9 Ų96.966%0.65950%0.503SS*.  trans-67.392.8174.3-69.3-87.4000108.6L71 R75L71-Y73 VanDerWaalsContact C-N 3.34Å; L71-Y73 HydrophobicContact CB-CD2 4.14Å; L71-Y73 HydrophobicContact CB-CE2 3.66Å; L71-Y73 WeakPolarHBondContact O-CD2 3.13Å; L71-Y73 PolarHBondContact O-N 3.32Å; L71-Y73 VanDerWaalsContact O-N 3.09Å; Y73-R75 PolarHBondContact O-N 3.46Å
74F35.3Very low39.4Very low60 Ų6095 Ų9526%0.26349%0.49SS..  trans-80.7101.7162.5-67.5-82.4000107.8F22 F26 T72 F76 F94F22-F74 HydrophobicContact CE1-CE2 4.12Å; F22-F74 HydrophobicContact CE1-CZ 4.15Å; F22-F74 AromaticContact CZ-CE2 3.81Å; F22-F74 HydrophobicContact CZ-CE2 3.81Å; F22-F74 HydrophobicContact CZ-CZ 4.31Å; F26-F74 HydrophobicContact CD1-CD2 4.4Å; F26-F74 HydrophobicContact CD1-CE1 4.29Å; F26-F74 AromaticContact CD1-CE2 3.67Å; F26-F74 HydrophobicContact CD1-CE2 3.67Å; F26-F74 AromaticContact CD1-CZ 3.6Å; F26-F74 HydrophobicContact CD1-CZ 3.6Å; F26-F74 AromaticContact CE1-CD2 3.54Å; F26-F74 HydrophobicContact CE1-CD2 3.54Å; F26-F74 HydrophobicContact CE1-CE1 4.29Å; F26-F74 AromaticContact CE1-CE2 3.16Å; F26-F74 HydrophobicContact CE1-CE2 3.16Å; F26-F74 HydrophobicContact CE1-CG 4.23Å; F26-F74 AromaticContact CE1-CZ 3.58Å; F26-F74 HydrophobicContact CE1-CZ 3.58Å; F26-F74 HydrophobicContact CZ-CD2 4.27Å; F26-F74 HydrophobicContact CZ-CE2 4.04Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 HydrophobicContact CG2-CD2 3.83Å; T72-F74 HydrophobicContact CG2-CE1 4.27Å; T72-F74 HydrophobicContact CG2-CE2 3.17Å; T72-F74 HydrophobicContact CG2-CZ 3.45Å; T72-F74 VanDerWaalsContact CG2-CZ 3.45Å; T72-F74 WeakPolarHBondContact O-CD2 3.41Å; T72-F74 PolarHBondContact O-N 3.3Å; F74-F76 VanDerWaalsContact C-N 3.29Å; F74-F76 HydrophobicContact CB-CD2 3.78Å; F74-F76 HydrophobicContact CB-CE2 3.23Å; F74-F76 HydrophobicContact CB-CZ 4.01Å; F74-F76 HydrophobicContact CG-CE2 4.12Å; F74-F76 WeakPolarHBondContact O-CD2 3.05Å; F74-F76 PolarHBondContact O-N 3.43Å; F74-F94 HydrophobicContact CB-CD2 4.28Å; F74-F94 HydrophobicContact CD2-CD2 4.21Å
75R31.6Very low39Very low155 Ų15598 Ų9859%0.58550%0.501SS*.  trans-77.588.9174.4-160.6172-171.5165.2-6.3108.4Y73 Y77Y73-R75 PolarHBondContact O-N 3.46Å; R75-Y77 HydrophobicContact CB-CE2 4.34Å; R75-Y77 WeakPolarHBondContact CD-OH 3.04Å; R75-Y77 HydrophobicContact CG-CD2 4.18Å; R75-Y77 HydrophobicContact CG-CE2 3.57Å; R75-Y77 VanDerWaalsContact NE-CZ 3.34Å; R75-Y77 PolarHBondContact NE-OH 3.11Å; R75-Y77 PolarHBondContact NH2-OH 3.05Å
76F35.5Very low38.4Very low44 Ų44102.4 Ų102.419%0.19352%0.52CS..  trans-73.4133.8166.3-68.7-82.5000108.9Q30 I34 F74 L90 I92 F94Q30-F76 HydrophobicContact CB-CZ 4.32Å; Q30-F76 HydrophobicContact CG-CZ 4.05Å; I34-F76 HydrophobicContact CD1-CD1 3.75Å; I34-F76 HydrophobicContact CD1-CE1 3.58Å; I34-F76 HydrophobicContact CD1-CG 4.37Å; I34-F76 HydrophobicContact CD1-CZ 4.05Å; F74-F76 VanDerWaalsContact C-N 3.29Å; F74-F76 HydrophobicContact CB-CD2 3.78Å; F74-F76 HydrophobicContact CB-CE2 3.23Å; F74-F76 HydrophobicContact CB-CZ 4.01Å; F74-F76 HydrophobicContact CG-CE2 4.12Å; F74-F76 WeakPolarHBondContact O-CD2 3.05Å; F74-F76 PolarHBondContact O-N 3.43Å; F76-L90 CarbonylContact C-O 3.56Å; F76-I92 HydrophobicContact CB-CB 4.5Å; F76-I92 HydrophobicContact CB-CD1 4.06Å; F76-I92 HydrophobicContact CD2-CB 3.94Å; F76-I92 HydrophobicContact CD2-CD1 4.35Å; F76-I92 HydrophobicContact CG-CD1 4.24Å; F76-F94 HydrophobicContact CD2-CE2 4.02Å; F76-F94 HydrophobicContact CE2-CD2 4.08Å; F76-F94 AromaticContact CE2-CE2 3.42Å; F76-F94 HydrophobicContact CE2-CE2 3.42Å; F76-F94 VanDerWaalsContact CE2-CE2 3.42Å; F76-F94 HydrophobicContact CE2-CZ 4.42Å; F76-F94 HydrophobicContact CZ-CE2 4.28Å
77Y34.4Very low37.9Very low143 Ų143100.7 Ų100.756%0.56151%0.509SS*.  trans-112.492.6163.6-69.9-91.7000105.6R75 V89R75-Y77 HydrophobicContact CB-CE2 4.34Å; R75-Y77 WeakPolarHBondContact CD-OH 3.04Å; R75-Y77 HydrophobicContact CG-CD2 4.18Å; R75-Y77 HydrophobicContact CG-CE2 3.57Å; R75-Y77 VanDerWaalsContact NE-CZ 3.34Å; R75-Y77 PolarHBondContact NE-OH 3.11Å; R75-Y77 PolarHBondContact NH2-OH 3.05Å; Y77-V89 HydrophobicContact CD1-CG1 3.67Å; Y77-V89 HydrophobicContact CE1-CG1 4.05Å
78S35Very low37.4Very low45 Ų4599.8 Ų99.832%0.31551%0.506SS..EExtended strand (participates in β ladder)trans-94.8116.2164173.90000107.4
79S32.9Very low37.2Very low58 Ų5897.3 Ų97.341%0.40649%0.49SS..EExtended strand (participates in β ladder)trans-90.698168.4-56.20000107.1Y81S79-Y81 PolarHBondContact O-N 3Å
80I36.5Very low37.2Very low110 Ų11093.9 Ų93.956%0.56448%0.478SS*.EExtended strand (participates in β ladder)trans-83.4106.5166.3-58.1177.3000106S82I80-S82 PolarHBondContact O-N 2.84Å; I80-S82 VanDerWaalsContact O-N 3.13Å
81Y36.5Very low37.8Very low194 Ų19493.8 Ų93.876%0.76146%0.461SS*.EExtended strand (participates in β ladder)trans-75.697.3172.1-64.7-85.8000108.2S79S79-Y81 PolarHBondContact O-N 3Å
82S33.6Very low38.4Very low76 Ų7690.1 Ų90.153%0.53144%0.442SS..  trans-76.8142.5156.3171.20000107.5I80 S84I80-S82 PolarHBondContact O-N 2.84Å; I80-S82 VanDerWaalsContact O-N 3.13Å; S82-S84 PolarHBondContact O-N 3.44Å; S82-S84 PolarHBondContact OG-OG 3.05Å; S82-S84 VanDerWaalsContact OG-OG 3.05Å
83N38.3Very low39Very low180 Ų18087.5 Ų87.596%0.96343%0.426SS*.SBendtrans-62.527.8-178.9-83.4-18.3000115.1
84S38.8Very low40Very low63 Ų6379.8 Ų79.844%0.44140%0.396SS..SBendtrans-149.386.7-172.356.50000109.4S82 E86S82-S84 PolarHBondContact O-N 3.44Å; S82-S84 PolarHBondContact OG-OG 3.05Å; S82-S84 VanDerWaalsContact OG-OG 3.05Å; S84-E86 PolarHBondContact O-N 3.37Å
85F39.2Very low41.1Very low202 Ų20277.3 Ų77.389%0.88639%0.386SS*.SBendtrans32.712.1157.2-78.4-87.5000122.1T2T2-F85 WeakPolarHBondContact CG2-O 3.29Å
86E39.5Very low42.5Very low111 Ų11170.5 Ų70.552%0.51936%0.36SS..  trans-117.6109.3-177-74.9-166.515700109.2S84 S88S84-E86 PolarHBondContact O-N 3.37Å; E86-S88 PolarHBondContact O-N 2.93Å; E86-S88 VanDerWaalsContact O-N 3.16Å
87V38.5Very low43.8Very low56 Ų5668.5 Ų68.534%0.33935%0.352SS..EExtended strand (participates in β ladder)trans-78.399.6167.7-178.40000107.1V89V87-V89 HydrophobicContact CG1-CG2 4.27Å; V87-V89 PolarHBondContact O-N 3.09Å
88S40.1Very low45.1Very low45 Ų4563.1 Ų63.132%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-81.5112.5169.5-74.40000109.5S5 E86S5-S88 CarbonylContact O-C 3.39Å; S5-S88 VanDerWaalsContact O-CA 3.26Å; S5-S88 WeakPolarHBondContact O-CA 3.32Å; E86-S88 PolarHBondContact O-N 2.93Å; E86-S88 VanDerWaalsContact O-N 3.16Å
89V42.8Very low46.4Very low19 Ų1961.2 Ų61.212%0.11532%0.32CS..EExtended strand (participates in β ladder)trans-88.8108.1173.1178.20000108.3I4 S5 S6 K7 Y77 V87 K91I4-V89 HydrophobicContact CG2-CG2 3.82Å; S5-V89 PolarHBondContact O-N 3.23Å; S6-V89 WeakPolarHBondContact CA-O 3.26Å; K7-V89 PolarHBondContact N-O 3.38Å; Y77-V89 HydrophobicContact CD1-CG1 3.67Å; Y77-V89 HydrophobicContact CE1-CG1 4.05Å; V87-V89 HydrophobicContact CG1-CG2 4.27Å; V87-V89 PolarHBondContact O-N 3.09Å; V89-K91 HydrophobicContact CG1-CG 4.17Å
90L45.4Very low47.7Very low38 Ų3862.4 Ų62.420%0.19932%0.322CS..EExtended strand (participates in β ladder)trans-87.1107.9173.2-16867.7000110.4K7 I9 F76 I92K7-L90 HydrophobicContact CB-CD1 4.3Å; K7-L90 WeakPolarHBondContact O-CA 3.33Å; I9-L90 HydrophobicContact CB-CD1 4.5Å; I9-L90 HydrophobicContact CD1-CD1 3.61Å; I9-L90 HydrophobicContact CD1-CD2 4.25Å; I9-L90 HydrophobicContact CD1-CG 4.36Å; I9-L90 HydrophobicContact CG1-CD1 3.69Å; F76-L90 CarbonylContact C-O 3.56Å; L90-I92 HydrophobicContact CD2-CD1 4.23Å; L90-I92 HydrophobicContact CD2-CG1 4.31Å; L90-I92 HydrophobicContact CG-CG1 4.24Å
91K48.3Very low48.7Very low59 Ų5961.1 Ų61.126%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-92.3129.8171.7-62.2176.8-174.6168.50108.8K7 T8 I9 V89K7-K91 PolarHBondContact O-N 2.95Å; T8-K91 CarbonylContact C-O 3.35Å; T8-K91 VanDerWaalsContact CA-O 3.27Å; T8-K91 WeakPolarHBondContact CA-O 3.24Å; T8-K91 HydrophobicContact CG2-CB 4.02Å; I9-K91 PolarHBondContact N-O 2.74Å; V89-K91 HydrophobicContact CG1-CG 4.17Å
92I51.2Low49.6Very low4 Ų452 Ų522%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-117.4108.1178.7-57.6149.4000109.4I9 V11 I34 M37 F76 L90 F94I9-I92 HydrophobicContact CB-CG1 4.46Å; I9-I92 CarbonylContact O-C 3.57Å; I9-I92 VanDerWaalsContact O-CA 3.24Å; I9-I92 WeakPolarHBondContact O-CA 3.27Å; V11-I92 HydrophobicContact CG2-CG2 3.71Å; I34-I92 HydrophobicContact CG1-CD1 4.22Å; M37-I92 HydrophobicContact CE-CD1 3.47Å; M37-I92 VanDerWaalsContact CE-CD1 3.47Å; M37-I92 HydrophobicContact CE-CG1 4.01Å; M37-I92 HydrophobicContact CE-CG2 4.1Å; M37-I92 HydrophobicContact SD-CG2 4.46Å; F76-I92 HydrophobicContact CB-CB 4.5Å; F76-I92 HydrophobicContact CB-CD1 4.06Å; F76-I92 HydrophobicContact CD2-CB 3.94Å; F76-I92 HydrophobicContact CD2-CD1 4.35Å; F76-I92 HydrophobicContact CG-CD1 4.24Å; L90-I92 HydrophobicContact CD2-CD1 4.23Å; L90-I92 HydrophobicContact CD2-CG1 4.31Å; L90-I92 HydrophobicContact CG-CG1 4.24Å; I92-F94 HydrophobicContact CB-CE2 4.13Å; I92-F94 HydrophobicContact CG2-CD2 4.07Å; I92-F94 HydrophobicContact CG2-CE1 4.23Å; I92-F94 HydrophobicContact CG2-CE2 3.4Å; I92-F94 HydrophobicContact CG2-CZ 3.53Å
93A50.8Low50.6Low8 Ų853.3 Ų53.37%0.06628%0.278CS..EExtended strand (participates in β ladder)trans-93.8127.9174.500000110.3I9 F10 V11I9-A93 PolarHBondContact O-N 3.22Å; F10-A93 CarbonylContact C-O 3.6Å; F10-A93 WeakPolarHBondContact CA-O 3.44Å; F10-A93 HydrophobicContact CD1-CB 3.48Å; F10-A93 VanDerWaalsContact CD1-CB 3.48Å; F10-A93 HydrophobicContact CE1-CB 3.57Å; F10-A93 HydrophobicContact CG-CB 4.44Å; V11-A93 PolarHBondContact N-O 2.88Å
94F56.2Low51.2Low5 Ų555.5 Ų55.52%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-99.6126.9177.3-68.9-86.6000109.7V11 L13 F26 L33 F74 F76 I92V11-F94 HydrophobicContact CB-CD1 3.74Å; V11-F94 HydrophobicContact CB-CE1 3.8Å; V11-F94 HydrophobicContact CG1-CD1 3.94Å; V11-F94 HydrophobicContact CG1-CE1 3.87Å; V11-F94 HydrophobicContact CG2-CD1 4.47Å; V11-F94 HydrophobicContact CG2-CE1 4.1Å; V11-F94 WeakPolarHBondContact O-CA 3.31Å; L13-F94 HydrophobicContact CD1-CB 4.44Å; L13-F94 HydrophobicContact CD1-CD1 3.56Å; L13-F94 HydrophobicContact CD1-CE1 4.27Å; L13-F94 HydrophobicContact CD1-CG 4.37Å; L13-F94 HydrophobicContact CG-CD1 3.97Å; F26-F94 HydrophobicContact CE1-CD2 4.42Å; F26-F94 HydrophobicContact CE1-CG 4.46Å; F26-F94 HydrophobicContact CZ-CB 3.88Å; F26-F94 AromaticContact CZ-CD1 3.97Å; F26-F94 HydrophobicContact CZ-CD1 3.97Å; F26-F94 HydrophobicContact CZ-CD2 4.03Å; F26-F94 AromaticContact CZ-CG 3.67Å; F26-F94 HydrophobicContact CZ-CG 3.67Å; L33-F94 HydrophobicContact CB-CE1 4.3Å; L33-F94 HydrophobicContact CB-CZ 4.47Å; L33-F94 HydrophobicContact CD1-CD1 4.38Å; L33-F94 HydrophobicContact CD1-CE1 3.75Å; L33-F94 HydrophobicContact CD1-CZ 4.5Å; L33-F94 HydrophobicContact CD2-CE1 4.32Å; L33-F94 HydrophobicContact CG-CE1 4.37Å; F74-F94 HydrophobicContact CB-CD2 4.28Å; F74-F94 HydrophobicContact CD2-CD2 4.21Å; F76-F94 HydrophobicContact CD2-CE2 4.02Å; F76-F94 HydrophobicContact CE2-CD2 4.08Å; F76-F94 AromaticContact CE2-CE2 3.42Å; F76-F94 HydrophobicContact CE2-CE2 3.42Å; F76-F94 VanDerWaalsContact CE2-CE2 3.42Å; F76-F94 HydrophobicContact CE2-CZ 4.42Å; F76-F94 HydrophobicContact CZ-CE2 4.28Å; I92-F94 HydrophobicContact CB-CE2 4.13Å; I92-F94 HydrophobicContact CG2-CD2 4.07Å; I92-F94 HydrophobicContact CG2-CE1 4.23Å; I92-F94 HydrophobicContact CG2-CE2 3.4Å; I92-F94 HydrophobicContact CG2-CZ 3.53Å
95V57.6Low51.7Low8 Ų854.8 Ų54.85%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-111.4123.7173.4178.80000107.5V11 L12 L13 I56 V67 L71V11-V95 PolarHBondContact O-N 3.24Å; L12-V95 HydrophobicContact CD1-CB 4.01Å; L12-V95 HydrophobicContact CD1-CG1 3.82Å; L13-V95 PolarHBondContact N-O 2.8Å; I56-V95 HydrophobicContact CD1-CB 4.02Å; I56-V95 HydrophobicContact CD1-CG2 3.58Å; I56-V95 HydrophobicContact CG2-CG2 4.29Å; V67-V95 HydrophobicContact CG1-CG1 4.43Å; V67-V95 HydrophobicContact CG2-CG1 4.41Å; L71-V95 HydrophobicContact CD2-CG2 4.06Å
96W61.4Low52.1Low12 Ų1246.5 Ų46.55%0.04523%0.234CC..EExtended strand (participates in β ladder)trans-100.5122.1177.4-175-94.9000110.2L13 I19 F22 P23 Y47L13-W96 HydrophobicContact CB-CE3 3.56Å; L13-W96 HydrophobicContact CB-CZ3 3.89Å; L13-W96 HydrophobicContact CD1-CE3 4.3Å; L13-W96 CarbonylContact O-C 3.47Å; L13-W96 VanDerWaalsContact O-CA 3.27Å; L13-W96 WeakPolarHBondContact O-CA 3.46Å; I19-W96 HydrophobicContact CB-CZ2 4.25Å; I19-W96 HydrophobicContact CD1-CZ2 4.33Å; F22-W96 HydrophobicContact CD2-CB 4.09Å; F22-W96 HydrophobicContact CD2-CD2 4.27Å; F22-W96 HydrophobicContact CD2-CE3 4.4Å; F22-W96 HydrophobicContact CD2-CG 4.14Å; F22-W96 HydrophobicContact CE2-CB 4.24Å; P23-W96 HydrophobicContact CG-CH2 3.97Å; P23-W96 HydrophobicContact CG-CZ3 4.05Å; Y47-W96 HydrophobicContact CD1-CH2 4.28Å; Y47-W96 AromaticContact CE1-CH2 3.99Å; Y47-W96 HydrophobicContact CE1-CH2 3.99Å
97A62.5Low52.4Low2 Ų244.3 Ų44.32%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-140.6164.7-178.600000113.5L12 L13 C14 S15 C99 C102L12-A97 HydrophobicContact CD1-CB 3.96Å; L13-A97 PolarHBondContact O-N 2.99Å; C14-A97 WeakPolarHBondContact CA-O 3.17Å; C14-A97 WeakPolarHBondContact CB-O 3.45Å; S15-A97 PolarHBondContact N-O 3.4Å; S15-A97 VanDerWaalsContact N-O 3.11Å; A97-C99 PolarHBondContact O-N 3.05Å; A97-C102 HydrophobicContact CB-CB 4.45Å; A97-C102 VanDerWaalsContact CB-SG 3.54Å
98D62.7Low52.6Low30 Ų3045.5 Ų45.516%0.1624%0.242CC..EExtended strand (participates in β ladder)trans-75.7120.4169.1-173.9-34.2000109.2N100 Q101 C102D98-N100 PolarHBondContact O-N 3.34Å; D98-N100 WeakPolarHBondContact OD1-CA 3.45Å; D98-N100 VanDerWaalsContact OD1-CB 3.31Å; D98-N100 WeakPolarHBondContact OD1-CB 3.33Å; D98-N100 PolarHBondContact OD1-N 3.36Å; D98-Q101 HydrophobicContact CB-CB 4.19Å; D98-Q101 HydrophobicContact CB-CG 4.09Å; D98-Q101 PolarHBondContact O-N 2.84Å; D98-C102 PolarHBondContact O-N 2.8Å
99C61.7Low52.6Low6 Ų650.8 Ų50.84%0.04126%0.261CS..Hα-helixtrans-58.1-36.4179.6-69.40000111.4C14 S15 I16 A97 Q101 C102 L103C14-C99 VanDerWaalsContact CA-SG 3.56Å; C14-C99 HydrophobicContact CB-CB 3.84Å; C14-C99 WeakPolarHBondContact CB-SG 3.36Å; C14-C99 PolarHBondContact O-SG 3.11Å; C14-C99 VanDerWaalsContact O-SG 3.35Å; C14-C99 VanDerWaalsContact SG-CA 3.52Å; C14-C99 WeakPolarHBondContact SG-CB 3.32Å; C14-C99 CovalentContact SG-SG 2.03Å; C14-C99 PolarHBondContact SG-SG 2.92Å; S15-C99 PolarHBondContact N-SG 3.39Å; S15-C99 WeakPolarHBondContact O-CB 2.91Å; S15-C99 PolarHBondContact O-N 3.49Å; I16-C99 HydrophobicContact CG1-CB 4.17Å; A97-C99 PolarHBondContact O-N 3.05Å; C99-Q101 VanDerWaalsContact C-N 3.32Å; C99-Q101 PolarHBondContact O-N 3.14Å; C99-C102 PolarHBondContact O-N 2.96Å; C99-L103 HydrophobicContact CB-CD1 3.78Å; C99-L103 HydrophobicContact CB-CG 4.34Å; C99-L103 WeakPolarHBondContact O-CB 3.34Å; C99-L103 WeakPolarHBondContact O-CG 3.26Å; C99-L103 PolarHBondContact O-N 3.18Å
100N59.5Low52.6Low83 Ų8351.6 Ų51.644%0.44427%0.268SS..Hα-helixtrans-70.7-30.6-177.2-63.7-51.7000112.2I16 D98 R104I16-N100 PolarHBondContact O-ND2 3.27Å; D98-N100 PolarHBondContact O-N 3.34Å; D98-N100 WeakPolarHBondContact OD1-CA 3.45Å; D98-N100 VanDerWaalsContact OD1-CB 3.31Å; D98-N100 WeakPolarHBondContact OD1-CB 3.33Å; D98-N100 PolarHBondContact OD1-N 3.36Å; N100-R104 WeakPolarHBondContact O-CD 3.21Å; N100-R104 VanDerWaalsContact O-CG 3.27Å; N100-R104 WeakPolarHBondContact O-CG 3.26Å
101Q58.1Low52.2Low82 Ų8251.7 Ų51.738%0.38327%0.274SS..Hα-helixtrans-78.6-41.5175-67.5-170.6-600111.7T66 D98 C99T66-Q101 PolarHBondContact OG1-OE1 2.75Å; D98-Q101 HydrophobicContact CB-CB 4.19Å; D98-Q101 HydrophobicContact CB-CG 4.09Å; D98-Q101 PolarHBondContact O-N 2.84Å; C99-Q101 VanDerWaalsContact C-N 3.32Å; C99-Q101 PolarHBondContact O-N 3.14Å
102C56.1Low51.4Low3 Ų353.5 Ų53.52%0.0229%0.286CS..Hα-helixtrans-90.2-22.2-172.2-67.20000115.3C65 A97 D98 C99 S105C65-C102 WeakPolarHBondContact CB-SG 3.45Å; C65-C102 WeakPolarHBondContact SG-CA 3.44Å; C65-C102 WeakPolarHBondContact SG-CB 3.26Å; C65-C102 CovalentContact SG-SG 2.05Å; C65-C102 PolarHBondContact SG-SG 2.86Å; A97-C102 HydrophobicContact CB-CB 4.45Å; A97-C102 VanDerWaalsContact CB-SG 3.54Å; D98-C102 PolarHBondContact O-N 2.8Å; C99-C102 PolarHBondContact O-N 2.96Å; C102-S105 PolarHBondContact O-OG 3.31Å; C102-S105 VanDerWaalsContact O-OG 3.06Å
103L54Low50.6Low103 Ų10358.7 Ų58.754%0.53931%0.314SS..SBendtrans-84.6-21176.8-64.1173.6000113C99 S105 V106C99-L103 HydrophobicContact CB-CD1 3.78Å; C99-L103 HydrophobicContact CB-CG 4.34Å; C99-L103 WeakPolarHBondContact O-CB 3.34Å; C99-L103 WeakPolarHBondContact O-CG 3.26Å; C99-L103 PolarHBondContact O-N 3.18Å; L103-S105 PolarHBondContact O-N 2.7Å; L103-V106 PolarHBondContact O-N 3.16Å
104R50.4Low49.8Very low227 Ų22763.1 Ų63.186%0.85733%0.33SS*.THydrogen-bonded Turntrans-65.4-22174.8-78.2-179.1-178.3-162.20.9113.1N100N100-R104 WeakPolarHBondContact O-CD 3.21Å; N100-R104 VanDerWaalsContact O-CG 3.27Å; N100-R104 WeakPolarHBondContact O-CG 3.26Å
105S48.8Very low48.6Very low47 Ų4769.5 Ų69.533%0.32935%0.354SS..THydrogen-bonded Turntrans-102.9-5.7-175.949.10000113.9L62 C102 L103L62-S105 WeakPolarHBondContact CD1-OG 3.4Å; C102-S105 PolarHBondContact O-OG 3.31Å; C102-S105 VanDerWaalsContact O-OG 3.06Å; L103-S105 PolarHBondContact O-N 2.7Å
106V48.6Very low47.2Very low28 Ų2876.9 Ų76.917%0.1738%0.382CS..SBendtrans-94.3104.3170.1-176.60000106.7L55 L103 S108 A111L55-V106 HydrophobicContact CD2-CG1 4.44Å; L55-V106 HydrophobicContact CD2-CG2 4.23Å; L103-V106 PolarHBondContact O-N 3.16Å; V106-S108 PolarHBondContact O-N 3.13Å; V106-A111 HydrophobicContact CG1-CB 4.08Å
107S45.7Very low45.6Very low65 Ų6584.7 Ų84.746%0.45542%0.417SS..  trans-53.2140.4175.865.10000109.8E109 S110 A111S107-E109 PolarHBondContact O-N 3.48Å; S107-S110 PolarHBondContact O-N 2.98Å; S107-S110 PolarHBondContact O-OG 3.07Å; S107-S110 VanDerWaalsContact O-OG 3.05Å; S107-S110 PolarHBondContact OG-OG 2.92Å; S107-A111 PolarHBondContact O-N 3.46Å; S107-A111 VanDerWaalsContact O-N 3.11Å
108S42.4Very low44Very low82 Ų8288.9 Ų88.957%0.57344%0.438SS*.Hα-helixtrans-51.5-29.1179.649.20000113V106 A111 N112V106-S108 PolarHBondContact O-N 3.13Å; S108-A111 PolarHBondContact O-N 3.05Å; S108-N112 VanDerWaalsContact O-CB 3.26Å; S108-N112 WeakPolarHBondContact O-CB 3.49Å; S108-N112 VanDerWaalsContact O-CG 3.31Å; S108-N112 PolarHBondContact O-N 3.43Å; S108-N112 PolarHBondContact O-ND2 2.56Å
109E40.7Very low42.5Very low155 Ų15593 Ų9372%0.72446%0.456SS*.Hα-helixtrans-64.2-40.5174.2-67.3178.8158.600112.9S107S107-E109 PolarHBondContact O-N 3.48Å
110S41.9Very low41Very low36 Ų36105.4 Ų105.425%0.25250%0.502SS..Hα-helixtrans-85.3-14.4178.449.20000113.5S107 Y114S107-S110 PolarHBondContact O-N 2.98Å; S107-S110 PolarHBondContact O-OG 3.07Å; S107-S110 VanDerWaalsContact O-OG 3.05Å; S107-S110 PolarHBondContact OG-OG 2.92Å; S110-Y114 WeakPolarHBondContact O-CD2 3.49Å
111A36.5Very low40Very low40 Ų40106.6 Ų106.633%0.33151%0.505SS..Hα-helixtrans-83.8-38.8169.700000112.5V106 S107 S108 Y114 W115V106-A111 HydrophobicContact CG1-CB 4.08Å; S107-A111 PolarHBondContact O-N 3.46Å; S107-A111 VanDerWaalsContact O-N 3.11Å; S108-A111 PolarHBondContact O-N 3.05Å; A111-Y114 PolarHBondContact O-N 3.16Å; A111-W115 PolarHBondContact O-N 2.96Å
112N32.5Very low39.1Very low97 Ų97107.8 Ų107.852%0.51951%0.512SS..Hα-helixtrans-72.2-36.5-175.9-80.7-22.1000113.5S108 Y114 W115 Y116S108-N112 VanDerWaalsContact O-CB 3.26Å; S108-N112 WeakPolarHBondContact O-CB 3.49Å; S108-N112 VanDerWaalsContact O-CG 3.31Å; S108-N112 PolarHBondContact O-N 3.43Å; S108-N112 PolarHBondContact O-ND2 2.56Å; N112-Y114 PolarHBondContact O-N 3.14Å; N112-W115 PolarHBondContact O-N 2.91Å; N112-Y116 PolarHBondContact O-N 2.59Å
113D34.8Very low38.1Very low114 Ų114113.7 Ų113.761%0.6154%0.539SS*.Hα-helixtrans-65-28.9176.7-98.6-6.8000113.2
114Y34.3Very low37.2Very low101 Ų101114.3 Ų114.340%0.39654%0.539SS..Hα-helixtrans-88.1-29.3177.6-76.9-88.9000112.4A54 L55 S110 A111 N112 Y116A54-Y114 HydrophobicContact CB-CE1 3.51Å; A54-Y114 VanDerWaalsContact CB-OH 3.25Å; A54-Y114 WeakPolarHBondContact CB-OH 3.12Å; L55-Y114 HydrophobicContact CD1-CD2 4.37Å; L55-Y114 HydrophobicContact CD1-CE2 4.12Å; S110-Y114 WeakPolarHBondContact O-CD2 3.49Å; A111-Y114 PolarHBondContact O-N 3.16Å; N112-Y114 PolarHBondContact O-N 3.14Å; Y114-Y116 VanDerWaalsContact C-N 3.31Å
115W30.9Very low36.4Very low139 Ų139107.3 Ų107.353%0.52752%0.519SS..Hα-helixtrans-64.1-36.2169.6-110.232.2000112.3A111 N112 H119A111-W115 PolarHBondContact O-N 2.96Å; N112-W115 PolarHBondContact O-N 2.91Å; W115-H119 PolarHBondContact O-CD2 3.41Å; W115-H119 VanDerWaalsContact O-CD2 3.25Å
116Y26.8Very low35.5Very low162 Ų162111.3 Ų111.364%0.63553%0.532SS*.Hα-helixtrans-78.9-28.9-176.4-136.8-93.5000113.9N112 Y114 L118N112-Y116 PolarHBondContact O-N 2.59Å; Y114-Y116 VanDerWaalsContact C-N 3.31Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.22Å
117K29Very low34.6Very low177 Ų177117.2 Ų117.277%0.7756%0.557SS**THydrogen-bonded Turntrans-79.6-7179.6-80-178.8177.9173.20115.2
118L29.3Very low33.8Very low89 Ų89121.2 Ų121.247%0.46657%0.565SS.*THydrogen-bonded Turntrans-106.43.8175.6-94147.7000112.9Y116Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.22Å
119H30.6Very low33Very low116 Ų116124.5 Ų124.554%0.53757%0.565SS.*  trans-12213.1-173.5-88.5-54.2000114.9K41 W115K41-H119 WeakPolarHBondContact CE-CE1 3.25Å; K41-H119 WeakPolarHBondContact CE-NE2 3.11Å; K41-H119 PolarHBondContact NZ-CE1 3.14Å; K41-H119 VanDerWaalsContact NZ-CE1 3.29Å; K41-H119 PolarHBondContact NZ-NE2 3.37Å; W115-H119 PolarHBondContact O-CD2 3.41Å; W115-H119 VanDerWaalsContact O-CD2 3.25Å
120R29.1Very low32.3Very low268 Ų268121.7 Ų121.7100%1.01155%0.55SS**  trans-132.40163.3-77.3-172173.4-173-1.3108.3

Retrieved 120 of 120 residues in 106.1 ms (Link to these results)

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