A0A077Z2L9_TRITR Loading...

Macro domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2L9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 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
1M85.8Confident94.5Very high138 Ų13892.2 Ų92.268%0.6846%0.455SS*.  0136.40176.4170.359.200108K5 K6 L9M1-K5 HydrophobicContact CG-CB 3.83Å; M1-K5 HydrophobicContact CG-CD 3.94Å; M1-K5 HydrophobicContact CG-CG 3.9Å; M1-K5 HydrophobicContact SD-CB 4.17Å; M1-K5 HydrophobicContact SD-CD 3.97Å; M1-K5 HydrophobicContact SD-CG 3.71Å; M1-K6 HydrophobicContact CE-CB 3.78Å; M1-K6 HydrophobicContact CE-CG 3.85Å; M1-L9 HydrophobicContact CE-CD1 3.8Å; M1-L9 HydrophobicContact SD-CD1 4.11Å
2P92Very high94.7Very high84 Ų8486.8 Ų86.855%0.54543%0.433SS..  trans-55.4149.5176.2-25.134.9000112.4E4 K5 K6P2-E4 VanDerWaalsContact C-N 3.33Å; P2-E4 PolarHBondContact O-N 3.45Å; P2-K5 HydrophobicContact CB-CB 4.48Å; P2-K5 PolarHBondContact O-N 3.43Å; P2-K6 PolarHBondContact O-N 3.23Å
3L92.6Very high94.8Very high76 Ų7682.9 Ų82.940%0.39843%0.428SS..Hα-helixtrans-63.1-40.2-175.2-178.361.3000111.6K5 K6 R7L3-K5 VanDerWaalsContact C-N 3.29Å; L3-K5 PolarHBondContact O-N 3.3Å; L3-K6 HydrophobicContact CD1-CD 4.5Å; L3-K6 CarbonylContact O-C 3.51Å; L3-K6 WeakPolarHBondContact O-CA 3.43Å; L3-K6 VanDerWaalsContact O-CB 3.32Å; L3-K6 WeakPolarHBondContact O-CB 3.33Å; L3-K6 PolarHBondContact O-N 3.05Å; L3-R7 WeakPolarHBondContact O-CG 3.06Å; L3-R7 PolarHBondContact O-N 3.33Å
4E94.5Very high94.9Very high127 Ų12790 Ų9059%0.59346%0.458SS*.Hα-helixtrans-60.9-40.8178.3-61.771.2-152.800110.8P2 K6 R7 T8P2-E4 VanDerWaalsContact C-N 3.33Å; P2-E4 PolarHBondContact O-N 3.45Å; E4-K6 VanDerWaalsContact C-N 3.35Å; E4-R7 PolarHBondContact O-N 3Å; E4-T8 PolarHBondContact O-N 3.12Å
5K94.8Very high95Very high135 Ų13590.7 Ų90.759%0.58746%0.464SS*.Hα-helixtrans-71.9-28.8174.9-170.3175.7175.1176.40112.2M1 P2 L3 T8M1-K5 HydrophobicContact CG-CB 3.83Å; M1-K5 HydrophobicContact CG-CD 3.94Å; M1-K5 HydrophobicContact CG-CG 3.9Å; M1-K5 HydrophobicContact SD-CB 4.17Å; M1-K5 HydrophobicContact SD-CD 3.97Å; M1-K5 HydrophobicContact SD-CG 3.71Å; P2-K5 HydrophobicContact CB-CB 4.48Å; P2-K5 PolarHBondContact O-N 3.43Å; L3-K5 VanDerWaalsContact C-N 3.29Å; L3-K5 PolarHBondContact O-N 3.3Å; K5-T8 PolarHBondContact O-OG1 2.92Å
6K94.1Very high95.2Very high42 Ų4287.5 Ų87.518%0.18345%0.445CS..Hα-helixtrans-67.4-43.7171.9-162.9-160.1172.2-157.50110.7M1 P2 L3 E4 T8 L9 Y10 P109M1-K6 HydrophobicContact CE-CB 3.78Å; M1-K6 HydrophobicContact CE-CG 3.85Å; P2-K6 PolarHBondContact O-N 3.23Å; L3-K6 HydrophobicContact CD1-CD 4.5Å; L3-K6 CarbonylContact O-C 3.51Å; L3-K6 WeakPolarHBondContact O-CA 3.43Å; L3-K6 VanDerWaalsContact O-CB 3.32Å; L3-K6 WeakPolarHBondContact O-CB 3.33Å; L3-K6 PolarHBondContact O-N 3.05Å; E4-K6 VanDerWaalsContact C-N 3.35Å; K6-T8 VanDerWaalsContact C-N 3.26Å; K6-T8 PolarHBondContact O-N 3.33Å; K6-L9 WeakPolarHBondContact O-CB 3.15Å; K6-L9 PolarHBondContact O-N 2.66Å; K6-Y10 HydrophobicContact CB-CE1 4.36Å; K6-Y10 HydrophobicContact CD-CE1 3.76Å; K6-Y10 HydrophobicContact CG-CE1 3.71Å; K6-Y10 WeakPolarHBondContact O-CD1 3.29Å; K6-Y10 WeakPolarHBondContact O-CE1 3.43Å; K6-P109 PolarHBondContact NZ-O 3.3Å
7R97.6Very high95.4Very high74 Ų7483.8 Ų83.828%0.27943%0.428SS..Hα-helixtrans-58-34179.7-76.4168.8172.2-176.9-2.2113L3 E4 L9 Y10 F16 E55L3-R7 WeakPolarHBondContact O-CG 3.06Å; L3-R7 PolarHBondContact O-N 3.33Å; E4-R7 PolarHBondContact O-N 3Å; R7-L9 PolarHBondContact O-N 3.18Å; R7-Y10 HydrophobicContact CB-CD2 4.27Å; R7-Y10 HydrophobicContact CB-CE2 4.03Å; R7-Y10 HydrophobicContact CG-CD2 4.13Å; R7-Y10 HydrophobicContact CG-CE2 3.44Å; R7-Y10 VanDerWaalsContact CG-CE2 3.44Å; R7-Y10 PolarHBondContact O-N 3.19Å; R7-F16 HydrophobicContact CB-CE1 4.32Å; R7-F16 HydrophobicContact CB-CZ 4.49Å; R7-F16 HydrophobicContact CG-CE1 4.11Å; R7-F16 HydrophobicContact CG-CE2 4.27Å; R7-F16 HydrophobicContact CG-CZ 3.89Å; R7-E55 VanDerWaalsContact CG-OE2 3.31Å; R7-E55 WeakPolarHBondContact CG-OE2 3.44Å; R7-E55 IonicContact CZ-OE1 3.64Å; R7-E55 IonicContact CZ-OE2 3.16Å; R7-E55 IonicContact NE-OE1 2.68Å; R7-E55 PolarHBondContact NE-OE1 3.05Å; R7-E55 IonicContact NE-OE2 2.67Å; R7-E55 PolarHBondContact NE-OE2 3.23Å; R7-E55 IonicContact NH2-OE1 3.73Å; R7-E55 PolarHBondContact NH2-OE1 2.84Å; R7-E55 IonicContact NH2-OE2 3.63Å
8T97Very high95.6Very high111 Ų11179.9 Ų79.968%0.68141%0.409SS*.THydrogen-bonded Turntrans-68.6-14.1175.267.60000114.1E4 K5 K6E4-T8 PolarHBondContact O-N 3.12Å; K5-T8 PolarHBondContact O-OG1 2.92Å; K6-T8 VanDerWaalsContact C-N 3.26Å; K6-T8 PolarHBondContact O-N 3.33Å
9L96.4Very high95.8Very high87 Ų8778.1 Ų78.146%0.45540%0.4SS..THydrogen-bonded Turntrans-97.6-5.4177.2-55.4-177.9000113M1 K6 R7 K11 F107M1-L9 HydrophobicContact CE-CD1 3.8Å; M1-L9 HydrophobicContact SD-CD1 4.11Å; K6-L9 WeakPolarHBondContact O-CB 3.15Å; K6-L9 PolarHBondContact O-N 2.66Å; R7-L9 PolarHBondContact O-N 3.18Å; L9-K11 PolarHBondContact O-N 3.15Å; L9-F107 HydrophobicContact CB-CD1 4.43Å; L9-F107 WeakPolarHBondContact O-CD1 3.14Å
10Y98Very high95.8Very high11 Ų1181.1 Ų81.14%0.04342%0.417CS..  trans-65.1132.3-179.1-65.5-14.1000111.1K6 R7 C12 G13 F16 E55 F107 P109K6-Y10 HydrophobicContact CB-CE1 4.36Å; K6-Y10 HydrophobicContact CD-CE1 3.76Å; K6-Y10 HydrophobicContact CG-CE1 3.71Å; K6-Y10 WeakPolarHBondContact O-CD1 3.29Å; K6-Y10 WeakPolarHBondContact O-CE1 3.43Å; R7-Y10 HydrophobicContact CB-CD2 4.27Å; R7-Y10 HydrophobicContact CB-CE2 4.03Å; R7-Y10 HydrophobicContact CG-CD2 4.13Å; R7-Y10 HydrophobicContact CG-CE2 3.44Å; R7-Y10 VanDerWaalsContact CG-CE2 3.44Å; R7-Y10 PolarHBondContact O-N 3.19Å; Y10-C12 PolarHBondContact O-N 3.29Å; Y10-G13 PolarHBondContact O-N 3.43Å; Y10-G13 VanDerWaalsContact O-N 3.08Å; Y10-F16 HydrophobicContact CD2-CB 3.95Å; Y10-F16 AromaticContact CD2-CD1 3.77Å; Y10-F16 HydrophobicContact CD2-CD1 3.77Å; Y10-F16 HydrophobicContact CD2-CE1 4.49Å; Y10-F16 AromaticContact CD2-CG 3.89Å; Y10-F16 HydrophobicContact CD2-CG 3.89Å; Y10-F16 HydrophobicContact CE2-CB 4.2Å; Y10-F16 HydrophobicContact CE2-CD1 4.13Å; Y10-F16 HydrophobicContact CE2-CD2 4.31Å; Y10-F16 AromaticContact CE2-CG 3.95Å; Y10-F16 HydrophobicContact CE2-CG 3.95Å; Y10-E55 HydrophobicContact CE2-CG 4.37Å; Y10-E55 WeakPolarHBondContact CE2-OE2 3.41Å; Y10-E55 PolarHBondContact OH-OE2 3.41Å; Y10-F107 WeakPolarHBondContact CA-O 3.25Å; Y10-P109 HydrophobicContact CD1-CG 4.47Å; Y10-P109 HydrophobicContact CD2-CB 3.92Å; Y10-P109 HydrophobicContact CD2-CG 3.73Å; Y10-P109 HydrophobicContact CE1-CB 4.35Å; Y10-P109 HydrophobicContact CE2-CB 3.63Å; Y10-P109 HydrophobicContact CE2-CG 4Å; Y10-P109 HydrophobicContact CG-CB 4.39Å; Y10-P109 HydrophobicContact CG-CG 4Å; Y10-P109 VanDerWaalsContact CZ-CA 3.49Å
11K96.4Very high95.9Very high129 Ų12983.3 Ų83.356%0.56143%0.426SS*.THydrogen-bonded Turntrans-67-25.1178.9-172.1158.1178.3173.60113L9 G13 R79 A80 F107L9-K11 PolarHBondContact O-N 3.15Å; K11-G13 PolarHBondContact O-N 3.13Å; K11-R79 WeakPolarHBondContact CD-O 3.16Å; K11-R79 VanDerWaalsContact CE-O 3.22Å; K11-R79 WeakPolarHBondContact CE-O 3.38Å; K11-R79 PolarHBondContact NZ-O 3.03Å; K11-A80 VanDerWaalsContact CB-O 3.26Å; K11-A80 WeakPolarHBondContact CB-O 3.19Å; K11-A80 WeakPolarHBondContact CD-O 3.44Å; K11-F107 HydrophobicContact CB-CB 4.06Å; K11-F107 PolarHBondContact N-O 3.16Å
12C97.1Very high96.5Very high28 Ų2876.9 Ų76.919%0.18939%0.394CS..THydrogen-bonded Turntrans-77.9-1.3175.361.80000114Y10 N15 R53 P109Y10-C12 PolarHBondContact O-N 3.29Å; C12-N15 WeakPolarHBondContact O-CB 3.09Å; C12-N15 PolarHBondContact O-N 3.19Å; C12-N15 PolarHBondContact O-ND2 2.71Å; C12-N15 VanDerWaalsContact O-ND2 3.15Å; C12-R53 HydrophobicContact CB-CG 4.39Å; C12-P109 VanDerWaalsContact SG-CG 3.57Å
13G96.2Very high96.7Very high36 Ų3676 Ų7637%0.37139%0.388SS..THydrogen-bonded Turntrans59.3-137.4-172.800000110.9Y10 K11 N15 F16Y10-G13 PolarHBondContact O-N 3.43Å; Y10-G13 VanDerWaalsContact O-N 3.08Å; K11-G13 PolarHBondContact O-N 3.13Å; G13-N15 PolarHBondContact O-N 2.81Å; G13-F16 WeakPolarHBondContact O-CD1 3.49Å
14E96.3Very high96.9Very high182 Ų18272.6 Ų72.685%0.8537%0.371SS*.THydrogen-bonded Turntrans-76.6-1.2-179.8-58.4-166.9162.300114.4F16E14-F16 PolarHBondContact O-N 3.46Å; E14-F16 VanDerWaalsContact O-N 3.16Å
15N97.2Very high97Very high101 Ų10166.9 Ų66.954%0.5435%0.345SS..  trans-81.516.6-178.8-58.7-68.1000113.9C12 G13 R53C12-N15 WeakPolarHBondContact O-CB 3.09Å; C12-N15 PolarHBondContact O-N 3.19Å; C12-N15 PolarHBondContact O-ND2 2.71Å; C12-N15 VanDerWaalsContact O-ND2 3.15Å; G13-N15 PolarHBondContact O-N 2.81Å; N15-R53 WeakPolarHBondContact O-CD 3.41Å
16F98.3Very high96.9Very high39 Ų3962.6 Ų62.617%0.17133%0.328CS..  trans-73.2153.9175.465.2-88.1000110.7R7 Y10 G13 E14 P18 R53 E55 P109R7-F16 HydrophobicContact CB-CE1 4.32Å; R7-F16 HydrophobicContact CB-CZ 4.49Å; R7-F16 HydrophobicContact CG-CE1 4.11Å; R7-F16 HydrophobicContact CG-CE2 4.27Å; R7-F16 HydrophobicContact CG-CZ 3.89Å; Y10-F16 HydrophobicContact CD2-CB 3.95Å; Y10-F16 AromaticContact CD2-CD1 3.77Å; Y10-F16 HydrophobicContact CD2-CD1 3.77Å; Y10-F16 HydrophobicContact CD2-CE1 4.49Å; Y10-F16 AromaticContact CD2-CG 3.89Å; Y10-F16 HydrophobicContact CD2-CG 3.89Å; Y10-F16 HydrophobicContact CE2-CB 4.2Å; Y10-F16 HydrophobicContact CE2-CD1 4.13Å; Y10-F16 HydrophobicContact CE2-CD2 4.31Å; Y10-F16 AromaticContact CE2-CG 3.95Å; Y10-F16 HydrophobicContact CE2-CG 3.95Å; G13-F16 WeakPolarHBondContact O-CD1 3.49Å; E14-F16 PolarHBondContact O-N 3.46Å; E14-F16 VanDerWaalsContact O-N 3.16Å; F16-P18 HydrophobicContact CD2-CG 3.88Å; F16-P18 HydrophobicContact CE2-CG 3.71Å; F16-R53 CarbonylContact C-O 3.25Å; F16-R53 VanDerWaalsContact CA-O 3.28Å; F16-R53 WeakPolarHBondContact CA-O 3.24Å; F16-E55 HydrophobicContact CD2-CB 4.22Å; F16-P109 HydrophobicContact CB-CB 4.08Å; F16-P109 HydrophobicContact CB-CG 3.73Å
17V98.6Very high96.7Very high25 Ų2566.2 Ų66.215%0.15235%0.349CS..EExtended strand (participates in β ladder)trans-120.4104.2-178.7-178.40000108.7Q21 V22 W47 R53 L54 E55V17-Q21 HydrophobicContact CG1-CB 4.15Å; V17-V22 HydrophobicContact CG1-CG2 3.92Å; V17-W47 HydrophobicContact CB-CZ2 4.43Å; V17-W47 HydrophobicContact CG1-CZ2 4.47Å; V17-W47 HydrophobicContact CG2-CZ2 3.99Å; V17-R53 PolarHBondContact N-O 3.47Å; V17-L54 HydrophobicContact CB-CD2 4.29Å; V17-L54 HydrophobicContact CG1-CD2 4.39Å; V17-E55 PolarHBondContact O-N 3.13Å
18P98.3Very high96.2Very high13 Ų1367.1 Ų67.18%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-61.3153172.7-2537.2000113F16 D20 Q21F16-P18 HydrophobicContact CD2-CG 3.88Å; F16-P18 HydrophobicContact CE2-CG 3.71Å; P18-D20 VanDerWaalsContact CB-OD1 3.25Å; P18-D20 WeakPolarHBondContact CB-OD1 3.35Å; P18-D20 PolarHBondContact O-N 3.24Å; P18-Q21 WeakPolarHBondContact O-CB 3.34Å; P18-Q21 PolarHBondContact O-N 2.7Å
19L98.5Very high95.5Very high46 Ų4664.2 Ų64.224%0.24135%0.347CS..G310 helixtrans-56.7-35.7-178-177.259.5000113.9Q21 V22 I56 R186 I188L19-Q21 PolarHBondContact O-N 2.74Å; L19-V22 PolarHBondContact O-N 3.32Å; L19-V22 VanDerWaalsContact O-N 3.14Å; L19-I56 HydrophobicContact CB-CG2 4.1Å; L19-I56 HydrophobicContact CD1-CG2 3.88Å; L19-I56 HydrophobicContact CG-CG2 4.49Å; L19-R186 HydrophobicContact CD1-CB 3.76Å; L19-R186 HydrophobicContact CD1-CG 3.79Å; L19-R186 HydrophobicContact CD2-CB 4.38Å; L19-I188 HydrophobicContact CD1-CD1 4.06Å
20D97.2Very high94.2Very high138 Ų13864.4 Ų64.474%0.73837%0.37SS*.G310 helixtrans-70.5-16.7179.562.5-8000113.2P18P18-D20 VanDerWaalsContact CB-OD1 3.25Å; P18-D20 WeakPolarHBondContact CB-OD1 3.35Å; P18-D20 PolarHBondContact O-N 3.24Å
21Q97.6Very high92.8Very high128 Ų12866.7 Ų66.760%0.59839%0.391SS*.G310 helixtrans-90.4-2.3172.1-62-175.615.300113.2V17 P18 L19 P23V17-Q21 HydrophobicContact CG1-CB 4.15Å; P18-Q21 WeakPolarHBondContact O-CB 3.34Å; P18-Q21 PolarHBondContact O-N 2.7Å; L19-Q21 PolarHBondContact O-N 2.74Å; Q21-P23 WeakPolarHBondContact O-CD 3.15Å
22V98.1Very high91.8Very high2 Ų265.6 Ų65.61%0.01241%0.406CS..SBendtrans-95.4111.6173.5-174.70000108.2V17 L19 W47 L54 R186 I188V17-V22 HydrophobicContact CG1-CG2 3.92Å; L19-V22 PolarHBondContact O-N 3.32Å; L19-V22 VanDerWaalsContact O-N 3.14Å; V22-W47 HydrophobicContact CG1-CB 4Å; V22-W47 HydrophobicContact CG1-CG 4.14Å; V22-L54 HydrophobicContact CG2-CD2 3.91Å; V22-R186 PolarHBondContact O-NH1 3.2Å; V22-I188 HydrophobicContact CG1-CD1 4.26Å; V22-I188 HydrophobicContact CG1-CG1 4.38Å; V22-I188 HydrophobicContact CG1-CG2 4.39Å; V22-I188 HydrophobicContact CG2-CD1 4.49Å
23P96.8Very high91.1Very high66 Ų6666 Ų6643%0.42941%0.405SS..  trans-63.1145.3179.2-21.733.7000111.7Q21 S45Q21-P23 WeakPolarHBondContact O-CD 3.15Å; P23-S45 VanDerWaalsContact O-CB 3.28Å; P23-S45 WeakPolarHBondContact O-CB 3.38Å; P23-S45 PolarHBondContact O-OG 3.3Å
24T96.8Very high90.6Very high5 Ų566.9 Ų66.93%0.03141%0.405CS..  trans-76.2160.2168.169.90000110L26 D27 S28 K42 L44 R186T24-L26 PolarHBondContact O-N 2.88Å; T24-L26 PolarHBondContact OG1-N 3.34Å; T24-D27 WeakPolarHBondContact CB-OD2 3.47Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.29Å; T24-D27 PolarHBondContact N-OD2 3.36Å; T24-D27 PolarHBondContact O-N 2.98Å; T24-D27 PolarHBondContact OG1-N 3.16Å; T24-D27 PolarHBondContact OG1-OD1 3.42Å; T24-D27 PolarHBondContact OG1-OD2 3.28Å; T24-S28 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-OG 3.21Å; T24-K42 HydrophobicContact CG2-CG 4.5Å; T24-K42 WeakPolarHBondContact CG2-O 3.5Å; T24-L44 CarbonylContact C-O 3.58Å; T24-L44 VanDerWaalsContact CA-O 3.24Å; T24-L44 WeakPolarHBondContact CA-O 3.29Å; T24-R186 VanDerWaalsContact CG2-CZ 3.42Å
25V95.2Very high90.2Very high7 Ų766.3 Ų66.34%0.04240%0.4CS..Hα-helixtrans-59.9-39.1170.1173.50000109.6D27 S28 L29 L41 L44 I46 V204V25-D27 VanDerWaalsContact C-N 3.31Å; V25-D27 PolarHBondContact O-N 2.94Å; V25-S28 PolarHBondContact O-N 2.93Å; V25-S28 VanDerWaalsContact O-N 3.08Å; V25-L29 HydrophobicContact CG1-CD1 3.47Å; V25-L29 VanDerWaalsContact CG1-CD1 3.47Å; V25-L29 HydrophobicContact CG1-CG 3.91Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.29Å; V25-L29 PolarHBondContact O-N 3.23Å; V25-L41 HydrophobicContact CB-CD2 4.37Å; V25-L41 HydrophobicContact CG1-CD2 3.68Å; V25-L44 HydrophobicContact CB-CB 4.28Å; V25-L44 HydrophobicContact CG2-CB 3.79Å; V25-L44 PolarHBondContact N-O 2.98Å; V25-I46 HydrophobicContact CG2-CD1 4.21Å; V25-I46 HydrophobicContact CG2-CG1 3.99Å; V25-V204 HydrophobicContact CB-CG1 4.49Å; V25-V204 HydrophobicContact CG1-CG1 3.71Å; V25-V204 HydrophobicContact CG2-CG1 4.21Å
26L93.2Very high89.7Confident44 Ų4465.9 Ų65.923%0.2340%0.401CS..Hα-helixtrans-59.9-40176.4-174.563.3000112.3T24 S28 L29 E38 L41 K42T24-L26 PolarHBondContact O-N 2.88Å; T24-L26 PolarHBondContact OG1-N 3.34Å; L26-S28 PolarHBondContact O-N 2.97Å; L26-L29 PolarHBondContact O-N 3.01Å; L26-L29 VanDerWaalsContact O-O 3.13Å; L26-E38 HydrophobicContact CD1-CB 4.43Å; L26-E38 HydrophobicContact CD1-CG 4.17Å; L26-E38 HydrophobicContact CD2-CB 4.32Å; L26-L41 HydrophobicContact CB-CB 3.95Å; L26-L41 HydrophobicContact CD1-CB 4.37Å; L26-L41 PolarHBondContact N-O 2.78Å; L26-K42 HydrophobicContact CB-CB 4.47Å; L26-K42 HydrophobicContact CD2-CB 3.97Å; L26-K42 HydrophobicContact CD2-CG 4.5Å
27D90.7Very high89.3Confident119 Ų11964.3 Ų64.364%0.63640%0.395SS*.Hα-helixtrans-64-28177.4-56.8-44.2000112.2T24 V25T24-D27 WeakPolarHBondContact CB-OD2 3.47Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.29Å; T24-D27 PolarHBondContact N-OD2 3.36Å; T24-D27 PolarHBondContact O-N 2.98Å; T24-D27 PolarHBondContact OG1-N 3.16Å; T24-D27 PolarHBondContact OG1-OD1 3.42Å; T24-D27 PolarHBondContact OG1-OD2 3.28Å; V25-D27 VanDerWaalsContact C-N 3.31Å; V25-D27 PolarHBondContact O-N 2.94Å
28S86.9Confident89Confident93 Ų9366.8 Ų66.865%0.6541%0.405SS*.Hα-helixtrans-89.3-21.6-178.2-53.30000112.9T24 V25 L26T24-S28 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-OG 3.21Å; V25-S28 PolarHBondContact O-N 2.93Å; V25-S28 VanDerWaalsContact O-N 3.08Å; L26-S28 PolarHBondContact O-N 2.97Å
29L83Confident88.8Confident49 Ų4972.7 Ų72.726%0.25743%0.429SS..  trans-94.3122.1-179.5-65.8178.4000110.6V25 L26 A31 F33 L41 P205V25-L29 HydrophobicContact CG1-CD1 3.47Å; V25-L29 VanDerWaalsContact CG1-CD1 3.47Å; V25-L29 HydrophobicContact CG1-CG 3.91Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.29Å; V25-L29 PolarHBondContact O-N 3.23Å; L26-L29 PolarHBondContact O-N 3.01Å; L26-L29 VanDerWaalsContact O-O 3.13Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-F33 HydrophobicContact CB-CE2 3.73Å; L29-F33 HydrophobicContact CB-CZ 4.23Å; L29-F33 HydrophobicContact CD1-CE2 3.72Å; L29-F33 HydrophobicContact CD1-CZ 3.6Å; L29-F33 HydrophobicContact CG-CE2 4.34Å; L29-F33 HydrophobicContact CG-CZ 4.42Å; L29-L41 HydrophobicContact CD1-CD1 4.15Å; L29-L41 HydrophobicContact CD1-CD2 4.11Å; L29-P205 HydrophobicContact CD1-CG 4.45Å; L29-P205 HydrophobicContact CD2-CG 4.26Å
30G68.1Low88.6Confident92 Ų9271.1 Ų71.195%0.94842%0.421SS*.  trans-88.29.7176.300000115.3
31A68.5Low88.5Confident58 Ų5864.6 Ų64.648%0.47939%0.386SS..SBendtrans-94.9153.9-172.700000112.9L29 F33L29-A31 VanDerWaalsContact C-N 3.34Å; A31-F33 HydrophobicContact CB-CD2 4.46Å; A31-F33 HydrophobicContact CB-CE2 3.72Å; A31-F33 HydrophobicContact CB-CZ 3.78Å; A31-F33 WeakPolarHBondContact O-CD2 3.28Å; A31-F33 WeakPolarHBondContact O-CE2 3.17Å; A31-F33 PolarHBondContact O-N 3.22Å
32A76.2Confident88.4Confident106 Ų10665 Ų6588%0.87639%0.385SS*.  trans-77.6115.9172.100000109.8
33F81.6Confident88.4Confident36 Ų3666.4 Ų66.416%0.15839%0.392CS..  trans-109.3164175.8-65.3-77.4000110.8L29 A31 E38 L41L29-F33 HydrophobicContact CB-CE2 3.73Å; L29-F33 HydrophobicContact CB-CZ 4.23Å; L29-F33 HydrophobicContact CD1-CE2 3.72Å; L29-F33 HydrophobicContact CD1-CZ 3.6Å; L29-F33 HydrophobicContact CG-CE2 4.34Å; L29-F33 HydrophobicContact CG-CZ 4.42Å; A31-F33 HydrophobicContact CB-CD2 4.46Å; A31-F33 HydrophobicContact CB-CE2 3.72Å; A31-F33 HydrophobicContact CB-CZ 3.78Å; A31-F33 WeakPolarHBondContact O-CD2 3.28Å; A31-F33 WeakPolarHBondContact O-CE2 3.17Å; A31-F33 PolarHBondContact O-N 3.22Å; F33-E38 HydrophobicContact CB-CG 3.94Å; F33-L41 HydrophobicContact CB-CD1 4.29Å; F33-L41 HydrophobicContact CD1-CD1 3.94Å; F33-L41 HydrophobicContact CD2-CD1 3.64Å; F33-L41 HydrophobicContact CE1-CD1 4.18Å; F33-L41 HydrophobicContact CE2-CD1 3.9Å; F33-L41 HydrophobicContact CG-CD1 3.67Å; F33-L41 HydrophobicContact CZ-CD1 4.17Å
34S86.3Confident88.4Confident55 Ų5563.3 Ų63.339%0.38537%0.371SS..  trans-62.2152.2168.9900000110.2T36 S37 E38S34-T36 PolarHBondContact O-N 3.42Å; S34-T36 VanDerWaalsContact O-N 3.1Å; S34-T36 PolarHBondContact OG-N 3.36Å; S34-S37 WeakPolarHBondContact O-CA 3.33Å; S34-S37 WeakPolarHBondContact O-CB 3.44Å; S34-S37 PolarHBondContact O-N 2.95Å; S34-S37 WeakPolarHBondContact OG-CB 3.36Å; S34-S37 PolarHBondContact OG-N 2.98Å; S34-S37 VanDerWaalsContact OG-N 3.12Å; S34-S37 PolarHBondContact OG-OG 2.65Å; S34-E38 WeakPolarHBondContact O-CG 3.32Å; S34-E38 PolarHBondContact O-N 3.16Å
35K86.9Confident88.5Confident171 Ų17163 Ų6374%0.74337%0.37SS*.Hα-helixtrans-55.5-31.2176.4-71.2-176.9178.1177.70113.1K39K35-K39 WeakPolarHBondContact O-CG 3.44Å; K35-K39 PolarHBondContact O-N 2.88Å
36T87.3Confident88.6Confident92 Ų9264.4 Ų64.456%0.56438%0.376SS*.Hα-helixtrans-70.6-46.8177-59.50000110.5S34 K39 M40S34-T36 PolarHBondContact O-N 3.42Å; S34-T36 VanDerWaalsContact O-N 3.1Å; S34-T36 PolarHBondContact OG-N 3.36Å; T36-K39 WeakPolarHBondContact O-CB 3.18Å; T36-K39 PolarHBondContact O-N 2.89Å; T36-M40 HydrophobicContact CG2-CE 4.28Å; T36-M40 PolarHBondContact O-N 2.89Å
37S90.5Very high88.9Confident5 Ų564 Ų644%0.03537%0.372CS..Hα-helixtrans-59.8-45.8175.9-50.20000110.8S34 K39 M40 L41 F208 A210S34-S37 WeakPolarHBondContact O-CA 3.33Å; S34-S37 WeakPolarHBondContact O-CB 3.44Å; S34-S37 PolarHBondContact O-N 2.95Å; S34-S37 WeakPolarHBondContact OG-CB 3.36Å; S34-S37 PolarHBondContact OG-N 2.98Å; S34-S37 VanDerWaalsContact OG-N 3.12Å; S34-S37 PolarHBondContact OG-OG 2.65Å; S37-K39 VanDerWaalsContact C-N 3.35Å; S37-K39 PolarHBondContact O-N 3.09Å; S37-M40 PolarHBondContact O-N 3.37Å; S37-M40 VanDerWaalsContact O-N 3.12Å; S37-L41 WeakPolarHBondContact O-CB 3.43Å; S37-L41 VanDerWaalsContact O-CG 3.25Å; S37-L41 WeakPolarHBondContact O-CG 3.36Å; S37-L41 PolarHBondContact O-N 3.18Å; S37-F208 WeakPolarHBondContact CB-O 3.41Å; S37-F208 PolarHBondContact OG-O 2.73Å; S37-A210 PolarHBondContact OG-O 3.43Å
38E92.3Very high89.2Confident78 Ų7860.6 Ų60.636%0.36436%0.357SS..Hα-helixtrans-57.5-43.7175.3-70.2-178.7167.200112.6L26 F33 S34 M40 L41 K42L26-E38 HydrophobicContact CD1-CB 4.43Å; L26-E38 HydrophobicContact CD1-CG 4.17Å; L26-E38 HydrophobicContact CD2-CB 4.32Å; F33-E38 HydrophobicContact CB-CG 3.94Å; S34-E38 WeakPolarHBondContact O-CG 3.32Å; S34-E38 PolarHBondContact O-N 3.16Å; E38-M40 VanDerWaalsContact C-N 3.27Å; E38-M40 PolarHBondContact O-N 2.73Å; E38-L41 PolarHBondContact O-N 3.37Å; E38-K42 WeakPolarHBondContact O-CB 3.31Å; E38-K42 PolarHBondContact O-N 2.75Å
39K93.2Very high89.6Confident136 Ų13657.3 Ų57.359%0.59134%0.338SS*.Hα-helixtrans-60.2-37.6177.2-78.1177.5-178.9-178.20112.3K35 T36 S37K35-K39 WeakPolarHBondContact O-CG 3.44Å; K35-K39 PolarHBondContact O-N 2.88Å; T36-K39 WeakPolarHBondContact O-CB 3.18Å; T36-K39 PolarHBondContact O-N 2.89Å; S37-K39 VanDerWaalsContact C-N 3.35Å; S37-K39 PolarHBondContact O-N 3.09Å
40M94.8Very high90.3Very high14 Ų1457.7 Ų57.77%0.06934%0.34CS..Hα-helixtrans-75.2-47.8176.2-67.2-174-172.700111.4T36 S37 E38 K42 K43 L44 E176 L181 F208T36-M40 HydrophobicContact CG2-CE 4.28Å; T36-M40 PolarHBondContact O-N 2.89Å; S37-M40 PolarHBondContact O-N 3.37Å; S37-M40 VanDerWaalsContact O-N 3.12Å; E38-M40 VanDerWaalsContact C-N 3.27Å; E38-M40 PolarHBondContact O-N 2.73Å; M40-K42 PolarHBondContact O-N 3.21Å; M40-K43 WeakPolarHBondContact O-CA 3.44Å; M40-K43 WeakPolarHBondContact O-CB 3.49Å; M40-K43 PolarHBondContact O-N 3.48Å; M40-L44 PolarHBondContact O-N 2.98Å; M40-E176 HydrophobicContact CE-CG 3.45Å; M40-E176 VanDerWaalsContact CE-CG 3.45Å; M40-L181 HydrophobicContact CG-CD1 4.12Å; M40-F208 HydrophobicContact CB-CD1 3.95Å; M40-F208 HydrophobicContact SD-CD1 3.98Å; M40-F208 HydrophobicContact SD-CE1 4.3Å
41L95.4Very high91.8Very high0 Ų053.6 Ų53.60%030%0.297CS..Hα-helixtrans-59.8-31.9-179.5-68.3169.1000112.4V25 L26 L29 F33 S37 E38 K43 L44 V204 F208V25-L41 HydrophobicContact CB-CD2 4.37Å; V25-L41 HydrophobicContact CG1-CD2 3.68Å; L26-L41 HydrophobicContact CB-CB 3.95Å; L26-L41 HydrophobicContact CD1-CB 4.37Å; L26-L41 PolarHBondContact N-O 2.78Å; L29-L41 HydrophobicContact CD1-CD1 4.15Å; L29-L41 HydrophobicContact CD1-CD2 4.11Å; F33-L41 HydrophobicContact CB-CD1 4.29Å; F33-L41 HydrophobicContact CD1-CD1 3.94Å; F33-L41 HydrophobicContact CD2-CD1 3.64Å; F33-L41 HydrophobicContact CE1-CD1 4.18Å; F33-L41 HydrophobicContact CE2-CD1 3.9Å; F33-L41 HydrophobicContact CG-CD1 3.67Å; F33-L41 HydrophobicContact CZ-CD1 4.17Å; S37-L41 WeakPolarHBondContact O-CB 3.43Å; S37-L41 VanDerWaalsContact O-CG 3.25Å; S37-L41 WeakPolarHBondContact O-CG 3.36Å; S37-L41 PolarHBondContact O-N 3.18Å; E38-L41 PolarHBondContact O-N 3.37Å; L41-K43 PolarHBondContact O-N 3.08Å; L41-L44 PolarHBondContact O-N 3.36Å; L41-V204 HydrophobicContact CD2-CG1 4.04Å; L41-F208 HydrophobicContact CD2-CB 3.62Å; L41-F208 HydrophobicContact CG-CB 4.21Å
42K95.3Very high93.2Very high136 Ų13651.2 Ų51.259%0.59128%0.276SS*.THydrogen-bonded Turntrans-66.5-20.3172.8-169171-176.1173.60113.7T24 L26 E38 M40T24-K42 HydrophobicContact CG2-CG 4.5Å; T24-K42 WeakPolarHBondContact CG2-O 3.5Å; L26-K42 HydrophobicContact CB-CB 4.47Å; L26-K42 HydrophobicContact CD2-CB 3.97Å; L26-K42 HydrophobicContact CD2-CG 4.5Å; E38-K42 WeakPolarHBondContact O-CB 3.31Å; E38-K42 PolarHBondContact O-N 2.75Å; M40-K42 PolarHBondContact O-N 3.21Å
43K96.8Very high94.3Very high33 Ų3350.9 Ų50.914%0.14325%0.252CS..THydrogen-bonded Turntrans-94.2-8.8176.9-67.6175.7-179.6-740113M40 L41 L181 L184 R186 I187M40-K43 WeakPolarHBondContact O-CA 3.44Å; M40-K43 WeakPolarHBondContact O-CB 3.49Å; M40-K43 PolarHBondContact O-N 3.48Å; L41-K43 PolarHBondContact O-N 3.08Å; K43-L181 HydrophobicContact CD-CD1 3.49Å; K43-L181 VanDerWaalsContact CD-CD1 3.49Å; K43-L181 HydrophobicContact CD-CG 4.2Å; K43-L181 WeakPolarHBondContact CE-O 3.36Å; K43-L181 PolarHBondContact NZ-O 2.93Å; K43-L184 PolarHBondContact NZ-O 3.09Å; K43-R186 CarbonylContact O-C 3.46Å; K43-R186 WeakPolarHBondContact O-CA 3.3Å; K43-R186 WeakPolarHBondContact O-CD 3.44Å; K43-I187 PolarHBondContact O-N 3.36Å
44L98.1Very high95.1Very high0 Ų049.1 Ų49.10%025%0.245CC..EExtended strand (participates in β ladder)trans-101.4146.4179.7-56.7-177.8000110.1T24 V25 M40 L41 V171 L175 I187 F189 V204 F208T24-L44 CarbonylContact C-O 3.58Å; T24-L44 VanDerWaalsContact CA-O 3.24Å; T24-L44 WeakPolarHBondContact CA-O 3.29Å; V25-L44 HydrophobicContact CB-CB 4.28Å; V25-L44 HydrophobicContact CG2-CB 3.79Å; V25-L44 PolarHBondContact N-O 2.98Å; M40-L44 PolarHBondContact O-N 2.98Å; L41-L44 PolarHBondContact O-N 3.36Å; L44-V171 HydrophobicContact CD2-CG1 3.97Å; L44-L175 HydrophobicContact CD2-CD1 4.21Å; L44-I187 CarbonylContact C-O 3.54Å; L44-I187 WeakPolarHBondContact CA-O 3.06Å; L44-I187 HydrophobicContact CD2-CB 4.06Å; L44-F189 HydrophobicContact CD2-CE2 4.17Å; L44-V204 HydrophobicContact CD1-CG1 4.35Å; L44-F208 HydrophobicContact CD1-CD1 3.75Å; L44-F208 HydrophobicContact CD1-CD2 3.6Å; L44-F208 HydrophobicContact CD1-CE1 3.69Å; L44-F208 HydrophobicContact CD1-CE2 3.55Å; L44-F208 HydrophobicContact CD1-CG 3.7Å; L44-F208 HydrophobicContact CD1-CZ 3.58Å
45S98.5Very high95.7Very high0 Ų047.7 Ų47.70%023%0.232CC..EExtended strand (participates in β ladder)trans-134.3145.2166.3-730000109.3P23 R186 I187 I188 F189P23-S45 VanDerWaalsContact O-CB 3.28Å; P23-S45 WeakPolarHBondContact O-CB 3.38Å; P23-S45 PolarHBondContact O-OG 3.3Å; S45-R186 WeakPolarHBondContact OG-CD 3.43Å; S45-R186 PolarHBondContact OG-NH1 3.01Å; S45-I187 PolarHBondContact N-O 3.48Å; S45-I188 WeakPolarHBondContact O-CA 3.17Å; S45-F189 PolarHBondContact O-N 3.31Å
46I98.2Very high96.2Very high35 Ų3539.9 Ų39.918%0.17920%0.198CC..EExtended strand (participates in β ladder)trans-109.8120.8162.9-55.9164.1000105.1V25 V191 E201 V204V25-I46 HydrophobicContact CG2-CD1 4.21Å; V25-I46 HydrophobicContact CG2-CG1 3.99Å; I46-V191 HydrophobicContact CG2-CG2 4.22Å; I46-E201 HydrophobicContact CD1-CG 3.99Å; I46-V204 HydrophobicContact CD1-CB 4.44Å; I46-V204 HydrophobicContact CD1-CG2 4.03Å; I46-V204 HydrophobicContact CG1-CG2 4.43Å
47W98.1Very high96.8Very high37 Ų3736.3 Ų36.314%0.1418%0.176CC..EExtended strand (participates in β ladder)trans-133.9129.6-176.8-175.579.4000110.6V17 V22 L54 I188 F189 C190 V191V17-W47 HydrophobicContact CB-CZ2 4.43Å; V17-W47 HydrophobicContact CG1-CZ2 4.47Å; V17-W47 HydrophobicContact CG2-CZ2 3.99Å; V22-W47 HydrophobicContact CG1-CB 4Å; V22-W47 HydrophobicContact CG1-CG 4.14Å; W47-L54 HydrophobicContact CD2-CD2 3.98Å; W47-L54 HydrophobicContact CE3-CD1 4.04Å; W47-L54 HydrophobicContact CE3-CD2 3.84Å; W47-L54 HydrophobicContact CE3-CG 4.15Å; W47-L54 HydrophobicContact CH2-CD2 4.05Å; W47-L54 HydrophobicContact CH2-CG 4.33Å; W47-L54 HydrophobicContact CZ2-CD2 4.21Å; W47-L54 HydrophobicContact CZ3-CD1 4.13Å; W47-L54 HydrophobicContact CZ3-CD2 3.87Å; W47-L54 HydrophobicContact CZ3-CG 3.9Å; W47-I188 HydrophobicContact CB-CG2 3.74Å; W47-F189 PolarHBondContact N-O 3.44Å; W47-C190 VanDerWaalsContact CE3-SG 3.53Å; W47-C190 CarbonylContact O-C 3.51Å; W47-C190 VanDerWaalsContact O-CA 3.29Å; W47-C190 WeakPolarHBondContact O-CA 3.15Å; W47-V191 PolarHBondContact O-N 2.92Å
48S97.2Very high97.2Very high46 Ų4636.1 Ų36.132%0.32217%0.174SC..EExtended strand (participates in β ladder)trans-97.8121.9178.1-60.10000110.5V191 R197S48-V191 VanDerWaalsContact CA-O 3.29Å; S48-V191 WeakPolarHBondContact CA-O 3.27Å; S48-V191 WeakPolarHBondContact OG-CG2 3.49Å; S48-R197 WeakPolarHBondContact OG-CD 3.45Å
49G95.9Very high97.5Very high25 Ų2532.4 Ų32.426%0.25816%0.157SC..SBendtrans159.3-167.817500000115I51 V191G49-I51 PolarHBondContact O-N 3.43Å; G49-V191 PolarHBondContact N-O 3.21Å
50D97.3Very high97.8Very high56 Ų5625.9 Ų25.930%0.29913%0.129SC..  trans-79.2107176.4178.6-1.4000109.8T52 R53D50-T52 PolarHBondContact O-N 3.1Å; D50-T52 WeakPolarHBondContact OD1-CB 3.3Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.4Å; D50-T52 PolarHBondContact OD1-N 2.95Å; D50-T52 PolarHBondContact OD1-OG1 3.28Å; D50-T52 PolarHBondContact OD2-OG1 3.34Å; D50-T52 VanDerWaalsContact OD2-OG1 3.11Å; D50-R53 HydrophobicContact CB-CG 4.06Å; D50-R53 WeakPolarHBondContact O-CB 3.25Å; D50-R53 PolarHBondContact O-N 3.02Å; D50-R53 IonicContact OD2-NE 2.72Å
51I98.6Very high98Very high7 Ų725.2 Ų25.24%0.03613%0.125CC..G310 helixtrans-53.3-26.1-179.2-160.4173.4000112.8G49 R53 L54 I59 V73 I77 A147 P149 C190G49-I51 PolarHBondContact O-N 3.43Å; I51-R53 PolarHBondContact O-N 2.83Å; I51-R53 VanDerWaalsContact O-N 3.16Å; I51-L54 HydrophobicContact CG1-CD1 4.12Å; I51-L54 PolarHBondContact O-N 2.92Å; I51-I59 HydrophobicContact CD1-CB 4.14Å; I51-I59 HydrophobicContact CD1-CG2 4.46Å; I51-I59 HydrophobicContact CG1-CB 4.08Å; I51-I59 HydrophobicContact CG1-CG2 3.94Å; I51-V73 HydrophobicContact CG2-CG2 3.68Å; I51-I77 HydrophobicContact CG2-CD1 4.3Å; I51-I77 HydrophobicContact CG2-CG1 4.29Å; I51-A147 HydrophobicContact CD1-CB 4.08Å; I51-A147 HydrophobicContact CG1-CB 4.1Å; I51-P149 HydrophobicContact CD1-CB 4.31Å; I51-P149 HydrophobicContact CD1-CG 4.41Å; I51-C190 HydrophobicContact CB-CB 4.35Å; I51-C190 VanDerWaalsContact CB-SG 3.56Å; I51-C190 HydrophobicContact CD1-CB 4Å; I51-C190 HydrophobicContact CG1-CB 3.98Å
52T98.7Very high98.1Very high8 Ų826.4 Ų26.45%0.04914%0.135CC..G310 helixtrans-71.3-6.6-179.373.10000113.7D50 A76 I77 A80 L108 P109D50-T52 PolarHBondContact O-N 3.1Å; D50-T52 WeakPolarHBondContact OD1-CB 3.3Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.4Å; D50-T52 PolarHBondContact OD1-N 2.95Å; D50-T52 PolarHBondContact OD1-OG1 3.28Å; D50-T52 PolarHBondContact OD2-OG1 3.34Å; D50-T52 VanDerWaalsContact OD2-OG1 3.11Å; T52-A76 HydrophobicContact CG2-CB 4.23Å; T52-I77 HydrophobicContact CG2-CG1 3.91Å; T52-A80 HydrophobicContact CG2-CB 3.79Å; T52-L108 HydrophobicContact CG2-CD2 4.16Å; T52-P109 WeakPolarHBondContact O-CD 3.35Å
53R98.7Very high98.2Very high98 Ų9820 Ų2037%0.3711%0.108SC..G310 helixtrans-94-13.9178.3-60.4-178.1-176.6-158.80.1113.7C12 N15 F16 V17 D50 I51 E55C12-R53 HydrophobicContact CB-CG 4.39Å; N15-R53 WeakPolarHBondContact O-CD 3.41Å; F16-R53 CarbonylContact C-O 3.25Å; F16-R53 VanDerWaalsContact CA-O 3.28Å; F16-R53 WeakPolarHBondContact CA-O 3.24Å; V17-R53 PolarHBondContact N-O 3.47Å; D50-R53 HydrophobicContact CB-CG 4.06Å; D50-R53 WeakPolarHBondContact O-CB 3.25Å; D50-R53 PolarHBondContact O-N 3.02Å; D50-R53 IonicContact OD2-NE 2.72Å; I51-R53 PolarHBondContact O-N 2.83Å; I51-R53 VanDerWaalsContact O-N 3.16Å; R53-E55 PolarHBondContact O-N 2.82Å
54L98.9Very high98.2Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-71.8118.4-174.6-66.6174.1000111.6V17 V22 W47 I51 I56 I59 A110 A147 I188V17-L54 HydrophobicContact CB-CD2 4.29Å; V17-L54 HydrophobicContact CG1-CD2 4.39Å; V22-L54 HydrophobicContact CG2-CD2 3.91Å; W47-L54 HydrophobicContact CD2-CD2 3.98Å; W47-L54 HydrophobicContact CE3-CD1 4.04Å; W47-L54 HydrophobicContact CE3-CD2 3.84Å; W47-L54 HydrophobicContact CE3-CG 4.15Å; W47-L54 HydrophobicContact CH2-CD2 4.05Å; W47-L54 HydrophobicContact CH2-CG 4.33Å; W47-L54 HydrophobicContact CZ2-CD2 4.21Å; W47-L54 HydrophobicContact CZ3-CD1 4.13Å; W47-L54 HydrophobicContact CZ3-CD2 3.87Å; W47-L54 HydrophobicContact CZ3-CG 3.9Å; I51-L54 HydrophobicContact CG1-CD1 4.12Å; I51-L54 PolarHBondContact O-N 2.92Å; L54-I56 HydrophobicContact CB-CD1 4.05Å; L54-I56 HydrophobicContact CB-CG1 4.09Å; L54-I56 HydrophobicContact CB-CG2 4.38Å; L54-I56 HydrophobicContact CD1-CD1 4.28Å; L54-I56 PolarHBondContact O-N 3.15Å; L54-I59 HydrophobicContact CB-CG2 4.42Å; L54-A110 PolarHBondContact O-N 2.86Å; L54-A147 HydrophobicContact CD1-CB 3.46Å; L54-A147 VanDerWaalsContact CD1-CB 3.46Å; L54-I188 HydrophobicContact CD1-CD1 4.3Å; L54-I188 HydrophobicContact CD1-CG2 4.47Å
55E98.7Very high98.1Very high25 Ų2525.9 Ų25.912%0.11714%0.136CC..EExtended strand (participates in β ladder)trans-87.480.4174.1-170-175.670.200110R7 Y10 F16 V17 R53 P109R7-E55 VanDerWaalsContact CG-OE2 3.31Å; R7-E55 WeakPolarHBondContact CG-OE2 3.44Å; R7-E55 IonicContact CZ-OE1 3.64Å; R7-E55 IonicContact CZ-OE2 3.16Å; R7-E55 IonicContact NE-OE1 2.68Å; R7-E55 PolarHBondContact NE-OE1 3.05Å; R7-E55 IonicContact NE-OE2 2.67Å; R7-E55 PolarHBondContact NE-OE2 3.23Å; R7-E55 IonicContact NH2-OE1 3.73Å; R7-E55 PolarHBondContact NH2-OE1 2.84Å; R7-E55 IonicContact NH2-OE2 3.63Å; Y10-E55 HydrophobicContact CE2-CG 4.37Å; Y10-E55 WeakPolarHBondContact CE2-OE2 3.41Å; Y10-E55 PolarHBondContact OH-OE2 3.41Å; F16-E55 HydrophobicContact CD2-CB 4.22Å; V17-E55 PolarHBondContact O-N 3.13Å; R53-E55 PolarHBondContact O-N 2.82Å; E55-P109 HydrophobicContact CB-CB 3.72Å; E55-P109 HydrophobicContact CG-CB 4.14Å
56I98.8Very high98.1Very high6 Ų628.2 Ų28.23%0.03115%0.151CC..SBendtrans-134.2-176.8-176.462.9176.7000111L19 L54 A58 I59 A110 K111 A147 I188L19-I56 HydrophobicContact CB-CG2 4.1Å; L19-I56 HydrophobicContact CD1-CG2 3.88Å; L19-I56 HydrophobicContact CG-CG2 4.49Å; L54-I56 HydrophobicContact CB-CD1 4.05Å; L54-I56 HydrophobicContact CB-CG1 4.09Å; L54-I56 HydrophobicContact CB-CG2 4.38Å; L54-I56 HydrophobicContact CD1-CD1 4.28Å; L54-I56 PolarHBondContact O-N 3.15Å; I56-A58 WeakPolarHBondContact CD1-O 3.39Å; I56-I59 HydrophobicContact CD1-CG2 3.95Å; I56-I59 HydrophobicContact CG1-CG2 4.14Å; I56-A110 HydrophobicContact CG1-CB 4.5Å; I56-A110 VanDerWaalsContact O-CA 3.25Å; I56-A110 WeakPolarHBondContact O-CA 3.28Å; I56-K111 PolarHBondContact O-N 2.68Å; I56-K111 VanDerWaalsContact O-N 3.07Å; I56-A147 HydrophobicContact CD1-CB 3.52Å; I56-I188 HydrophobicContact CD1-CD1 4.04Å; I56-I188 HydrophobicContact CG2-CD1 4.12Å
57D98.8Very high98Very high18 Ų1826.6 Ų26.610%0.09614%0.142CC..SBendtrans-73.1-48.6-179.4-60.7-46.1000112.4K111 H112 L143 R144 S145D57-K111 CarbonylContact O-C 3.55Å; D57-K111 WeakPolarHBondContact O-CA 3.42Å; D57-K111 WeakPolarHBondContact O-CB 3.45Å; D57-K111 PolarHBondContact O-N 3.33Å; D57-K111 VanDerWaalsContact O-N 3.17Å; D57-K111 WeakPolarHBondContact OD1-CD 3.39Å; D57-K111 VanDerWaalsContact OD1-CE 3.3Å; D57-K111 WeakPolarHBondContact OD1-CE 3.43Å; D57-K111 IonicContact OD1-NZ 3.56Å; D57-K111 PolarHBondContact OD1-NZ 3.24Å; D57-H112 PolarHBondContact O-N 3.43Å; D57-L143 HydrophobicContact CB-CB 3.81Å; D57-L143 HydrophobicContact CB-CD2 4.22Å; D57-L143 HydrophobicContact CB-CG 4.46Å; D57-R144 WeakPolarHBondContact OD2-CA 3.29Å; D57-R144 WeakPolarHBondContact OD2-CB 2.91Å; D57-R144 PolarHBondContact OD2-N 2.93Å; D57-S145 WeakPolarHBondContact CB-O 3.38Å; D57-S145 PolarHBondContact N-O 3.16Å; D57-S145 PolarHBondContact N-OG 2.9Å; D57-S145 PolarHBondContact OD2-N 3.13Å; D57-S145 PolarHBondContact OD2-OG 2.71Å
58A98.9Very high97.9Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-136.3143.8178.300000113.4I56 H112 I114 L143 S145 V146 A147I56-A58 WeakPolarHBondContact CD1-O 3.39Å; A58-H112 WeakPolarHBondContact CA-O 3.3Å; A58-H112 HydrophobicContact CB-CB 4.34Å; A58-I114 HydrophobicContact CB-CD1 3.79Å; A58-I114 HydrophobicContact CB-CG1 4.08Å; A58-L143 HydrophobicContact CB-CD1 3.87Å; A58-S145 PolarHBondContact N-O 2.92Å; A58-V146 HydrophobicContact CB-CG2 4.22Å; A58-V146 CarbonylContact O-C 3.59Å; A58-V146 VanDerWaalsContact O-CA 3.23Å; A58-V146 WeakPolarHBondContact O-CA 3.35Å; A58-A147 PolarHBondContact O-N 3.31Å
59I98.9Very high97.6Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-112.2145.4160.460.9172.6000109.2I51 L54 I56 I77 L108 A110 H112 V113 I114 A147I51-I59 HydrophobicContact CD1-CB 4.14Å; I51-I59 HydrophobicContact CD1-CG2 4.46Å; I51-I59 HydrophobicContact CG1-CB 4.08Å; I51-I59 HydrophobicContact CG1-CG2 3.94Å; L54-I59 HydrophobicContact CB-CG2 4.42Å; I56-I59 HydrophobicContact CD1-CG2 3.95Å; I56-I59 HydrophobicContact CG1-CG2 4.14Å; I59-I77 HydrophobicContact CD1-CD1 4.11Å; I59-I77 HydrophobicContact CD1-CG1 3.98Å; I59-L108 HydrophobicContact CD1-CD1 3.81Å; I59-L108 HydrophobicContact CD1-CD2 4.08Å; I59-L108 HydrophobicContact CG1-CD1 4.47Å; I59-A110 HydrophobicContact CB-CB 4.38Å; I59-A110 HydrophobicContact CD1-CB 4.41Å; I59-A110 HydrophobicContact CG1-CB 4.01Å; I59-A110 HydrophobicContact CG2-CB 3.77Å; I59-H112 PolarHBondContact N-O 2.99Å; I59-H112 VanDerWaalsContact N-O 3.13Å; I59-V113 HydrophobicContact CG1-CG2 4.19Å; I59-V113 WeakPolarHBondContact O-CA 3.47Å; I59-I114 PolarHBondContact O-N 3.28Å; I59-A147 HydrophobicContact CG2-CB 4.27Å
60V98.9Very high97.4Very high0 Ų027.8 Ų27.80%016%0.156CC..EExtended strand (participates in β ladder)trans-90.6133.7176.4177.90000109.7I114 T116 C134 V146 A147 F148 P149 I151V60-I114 CarbonylContact C-O 3.55Å; V60-I114 VanDerWaalsContact CA-O 3.28Å; V60-I114 WeakPolarHBondContact CA-O 3.26Å; V60-I114 HydrophobicContact CG2-CB 4.32Å; V60-T116 HydrophobicContact CG1-CG2 3.61Å; V60-C134 HydrophobicContact CG2-CB 4.13Å; V60-V146 HydrophobicContact CG2-CG2 3.76Å; V60-A147 WeakPolarHBondContact CB-O 3.36Å; V60-A147 PolarHBondContact N-O 3.15Å; V60-F148 HydrophobicContact CB-CD1 4.02Å; V60-F148 HydrophobicContact CB-CE1 4.42Å; V60-F148 HydrophobicContact CG1-CD1 4.15Å; V60-F148 HydrophobicContact CG1-CE1 4.44Å; V60-F148 HydrophobicContact CG2-CD1 3.64Å; V60-F148 HydrophobicContact CG2-CE1 3.63Å; V60-F148 HydrophobicContact CG2-CG 4.18Å; V60-F148 HydrophobicContact CG2-CZ 4.14Å; V60-P149 WeakPolarHBondContact O-CD 3.39Å; V60-P149 WeakPolarHBondContact O-CG 3.28Å; V60-I151 HydrophobicContact CG1-CD1 4.25Å
61N98.8Very high97.2Very high0 Ų028 Ų280%017%0.172CC..EExtended strand (participates in β ladder)trans-101121.4170.7-1795.7000109.8A63 D74 I77 V113 I114 H115 T116N61-A63 VanDerWaalsContact C-N 3.29Å; N61-A63 PolarHBondContact O-N 3.06Å; N61-D74 PolarHBondContact ND2-OD1 3.22Å; N61-D74 WeakPolarHBondContact OD1-CA 3.34Å; N61-D74 VanDerWaalsContact OD1-CB 3.32Å; N61-D74 WeakPolarHBondContact OD1-CB 3.2Å; N61-D74 PolarHBondContact OD1-OD1 3.38Å; N61-I77 HydrophobicContact CB-CD1 3.58Å; N61-I77 HydrophobicContact CB-CG2 4.49Å; N61-V113 HydrophobicContact CB-CG1 3.68Å; N61-I114 PolarHBondContact N-O 3.34Å; N61-H115 PolarHBondContact ND2-ND1 3.39Å; N61-T116 PolarHBondContact O-N 3.46Å
62A97.8Very high97Very high25 Ų2530.8 Ų30.821%0.20720%0.202CC..EExtended strand (participates in β ladder)trans-77.183168.100000109.4V73 P149 I151A62-V73 HydrophobicContact CB-CG1 3.78Å; A62-P149 HydrophobicContact CB-CG 4.24Å; A62-I151 HydrophobicContact CB-CG2 4.44Å
63A97.7Very high96.9Very high2 Ų232.4 Ų32.42%0.01721%0.212CC..EExtended strand (participates in β ladder)trans-91.6169.5-171.300000112.6N61 L67 H115 T116N61-A63 VanDerWaalsContact C-N 3.29Å; N61-A63 PolarHBondContact O-N 3.06Å; A63-L67 HydrophobicContact CB-CD2 3.81Å; A63-H115 HydrophobicContact CB-CB 4.29Å; A63-T116 PolarHBondContact N-O 3.17Å
64N96.2Very high96.8Very high33 Ų3328 Ų2818%0.17620%0.196CC..  trans-95.7166.1165.868.777.4000111.2T66 L67 G69N64-T66 PolarHBondContact O-N 2.87Å; N64-T66 WeakPolarHBondContact OD1-CB 3.38Å; N64-T66 PolarHBondContact OD1-N 3.07Å; N64-T66 VanDerWaalsContact OD1-N 3.09Å; N64-T66 PolarHBondContact OD1-OG1 3.49Å; N64-L67 PolarHBondContact O-N 2.98Å; N64-G69 PolarHBondContact ND2-O 3.17Å
65H97.1Very high96.8Very high122 Ų12228.2 Ų28.257%0.56520%0.198SC*.THydrogen-bonded Turntrans-55.8-22.1-173.868.6-84.1000115.6G94 C95 V117H65-G94 CarbonylContact O-C 3.51Å; H65-G94 WeakPolarHBondContact O-CA 3.33Å; H65-C95 WeakPolarHBondContact CA-O 3.36Å; H65-C95 PolarHBondContact O-N 3.11Å; H65-V117 HydrophobicContact CB-CG1 4.47Å
66T97.1Very high96.7Very high50 Ų5028.1 Ų28.131%0.30720%0.201SC..THydrogen-bonded Turntrans-78.3-25.4177.872.80000112.8N64 L68N64-T66 PolarHBondContact O-N 2.87Å; N64-T66 WeakPolarHBondContact OD1-CB 3.38Å; N64-T66 PolarHBondContact OD1-N 3.07Å; N64-T66 VanDerWaalsContact OD1-N 3.09Å; N64-T66 PolarHBondContact OD1-OG1 3.49Å; T66-L68 WeakPolarHBondContact O-CG 3.28Å; T66-L68 PolarHBondContact O-N 3.17Å; T66-L68 PolarHBondContact OG1-N 2.93Å; T66-L68 VanDerWaalsContact OG1-N 3.16Å
67L97.1Very high96.7Very high0 Ų027.8 Ų27.80%020%0.2CC..  trans59.412.1-168.2-51.8-175.3000115.2A63 N64 G69 T89 L92 C95 K101 H115 V117A63-L67 HydrophobicContact CB-CD2 3.81Å; N64-L67 PolarHBondContact O-N 2.98Å; L67-G69 VanDerWaalsContact C-N 3.27Å; L67-G69 PolarHBondContact O-N 3.27Å; L67-T89 WeakPolarHBondContact O-CB 3.35Å; L67-T89 PolarHBondContact O-OG1 3.41Å; L67-L92 HydrophobicContact CD1-CB 3.97Å; L67-L92 HydrophobicContact CD1-CD1 3.72Å; L67-C95 HydrophobicContact CD1-CB 3.89Å; L67-C95 HydrophobicContact CD2-CB 3.74Å; L67-C95 HydrophobicContact CG-CB 3.93Å; L67-K101 HydrophobicContact CD1-CB 4.43Å; L67-K101 HydrophobicContact CD1-CD 4.21Å; L67-H115 HydrophobicContact CD2-CB 3.8Å; L67-V117 HydrophobicContact CD2-CG2 4.2Å
68L95.6Very high96.7Very high72 Ų7228.1 Ų28.138%0.37720%0.2SC..SBendtrans-91.717.1-173.9-58.6-177.6000113.9T66 K86 A90T66-L68 WeakPolarHBondContact O-CG 3.28Å; T66-L68 PolarHBondContact O-N 3.17Å; T66-L68 PolarHBondContact OG1-N 2.93Å; T66-L68 VanDerWaalsContact OG1-N 3.16Å; L68-K86 VanDerWaalsContact O-CE 3.24Å; L68-K86 WeakPolarHBondContact O-CE 3.42Å; L68-A90 HydrophobicContact CD2-CB 3.85Å
69G90.7Very high96.7Very high16 Ų1635.6 Ų35.617%0.16523%0.229CC..  trans89.1-179.7-175.800000114.1N64 L67 D74 H78N64-G69 PolarHBondContact ND2-O 3.17Å; L67-G69 VanDerWaalsContact C-N 3.27Å; L67-G69 PolarHBondContact O-N 3.27Å; G69-D74 VanDerWaalsContact CA-OD2 3.31Å; G69-D74 WeakPolarHBondContact CA-OD2 3.31Å; G69-H78 VanDerWaalsContact CA-CD2 3.49Å; G69-H78 WeakPolarHBondContact CA-CD2 3.3Å; G69-H78 WeakPolarHBondContact CA-NE2 3.26Å; G69-H78 PolarHBondContact N-NE2 3.4Å
70G92Very high96.7Very high46 Ų4636.2 Ų36.247%0.47423%0.234SC..  trans175.6-152.6-170.500000112.6D74 G75G70-D74 WeakPolarHBondContact CA-OD2 3.49Å; G70-D74 PolarHBondContact N-OD2 3.4Å; G70-G75 WeakPolarHBondContact O-CA 3.43Å; G70-G75 PolarHBondContact O-N 3.38Å
71G92.7Very high96.7Very high60 Ų6036.2 Ų36.262%0.61923%0.234SC*.SBendtrans-92.4-171.6175.800000113.4D74 G75G71-D74 WeakPolarHBondContact O-CB 3.22Å; G71-D74 PolarHBondContact O-N 2.68Å; G71-G75 PolarHBondContact O-N 3.09Å
72G94Very high96.6Very high66 Ų6636.5 Ų36.568%0.6824%0.237SC*.Hα-helixtrans56.5-139.3173.400000114.1D74 G75 A76G72-D74 VanDerWaalsContact C-N 3.29Å; G72-D74 PolarHBondContact O-N 3.08Å; G72-G75 PolarHBondContact O-N 2.87Å; G72-A76 PolarHBondContact O-N 3.37Å
73V96.5Very high96.6Very high41 Ų4139.9 Ų39.925%0.24826%0.257CS..Hα-helixtrans-63.2-34.517969.50000112.4I51 A62 A76 I77 P149I51-V73 HydrophobicContact CG2-CG2 3.68Å; A62-V73 HydrophobicContact CB-CG1 3.78Å; V73-A76 PolarHBondContact O-N 2.77Å; V73-I77 HydrophobicContact CG2-CD1 3.93Å; V73-I77 HydrophobicContact CG2-CG1 4.34Å; V73-I77 WeakPolarHBondContact O-CB 3.49Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 2.63Å; V73-P149 HydrophobicContact CG1-CB 4.38Å; V73-P149 HydrophobicContact CG1-CG 4.33Å; V73-P149 HydrophobicContact CG2-CB 4.17Å; V73-P149 HydrophobicContact CG2-CG 4.44Å
74D97.6Very high96.7Very high6 Ų641.3 Ų41.33%0.03227%0.266CS..Hα-helixtrans-61.7-48.6176.4-177.830.2000111.2N61 G69 G70 G71 G72 A76 I77 H78N61-D74 PolarHBondContact ND2-OD1 3.22Å; N61-D74 WeakPolarHBondContact OD1-CA 3.34Å; N61-D74 VanDerWaalsContact OD1-CB 3.32Å; N61-D74 WeakPolarHBondContact OD1-CB 3.2Å; N61-D74 PolarHBondContact OD1-OD1 3.38Å; G69-D74 VanDerWaalsContact CA-OD2 3.31Å; G69-D74 WeakPolarHBondContact CA-OD2 3.31Å; G70-D74 WeakPolarHBondContact CA-OD2 3.49Å; G70-D74 PolarHBondContact N-OD2 3.4Å; G71-D74 WeakPolarHBondContact O-CB 3.22Å; G71-D74 PolarHBondContact O-N 2.68Å; G72-D74 VanDerWaalsContact C-N 3.29Å; G72-D74 PolarHBondContact O-N 3.08Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.43Å; D74-I77 PolarHBondContact O-N 3.46Å; D74-H78 PolarHBondContact O-CD2 2.8Å; D74-H78 PolarHBondContact O-N 2.72Å; D74-H78 IonicContact OD1-CD2 2.68Å; D74-H78 PolarHBondContact OD1-CD2 2.86Å; D74-H78 IonicContact OD1-NE2 3.42Å
75G97.8Very high96.8Very high4 Ų439.7 Ų39.74%0.04126%0.258CS..Hα-helixtrans-61.3-39.5173.500000113.1G70 G71 G72 R79G70-G75 WeakPolarHBondContact O-CA 3.43Å; G70-G75 PolarHBondContact O-N 3.38Å; G71-G75 PolarHBondContact O-N 3.09Å; G72-G75 PolarHBondContact O-N 2.87Å; G75-R79 VanDerWaalsContact C-NH1 3.35Å; G75-R79 WeakPolarHBondContact O-CB 3.5Å; G75-R79 VanDerWaalsContact O-CG 3.3Å; G75-R79 WeakPolarHBondContact O-CG 3.3Å; G75-R79 PolarHBondContact O-N 3.46Å; G75-R79 PolarHBondContact O-NH1 3.34Å
76A98.2Very high96.8Very high23 Ų2339.2 Ų39.219%0.1925%0.254CS..Hα-helixtrans-63.5-47.317700000111.6T52 G72 V73 D74 R79 A80T52-A76 HydrophobicContact CG2-CB 4.23Å; G72-A76 PolarHBondContact O-N 3.37Å; V73-A76 PolarHBondContact O-N 2.77Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.43Å; A76-R79 PolarHBondContact O-N 2.9Å; A76-A80 WeakPolarHBondContact O-CB 3.45Å; A76-A80 PolarHBondContact O-N 3.01Å
77I98.8Very high96.9Very high0 Ų042.7 Ų42.70%027%0.269CS..Hα-helixtrans-61.2-48.1177.8-72171.9000110.9I51 T52 I59 N61 V73 D74 R79 A80 A81 L85 L108 V113I51-I77 HydrophobicContact CG2-CD1 4.3Å; I51-I77 HydrophobicContact CG2-CG1 4.29Å; T52-I77 HydrophobicContact CG2-CG1 3.91Å; I59-I77 HydrophobicContact CD1-CD1 4.11Å; I59-I77 HydrophobicContact CD1-CG1 3.98Å; N61-I77 HydrophobicContact CB-CD1 3.58Å; N61-I77 HydrophobicContact CB-CG2 4.49Å; V73-I77 HydrophobicContact CG2-CD1 3.93Å; V73-I77 HydrophobicContact CG2-CG1 4.34Å; V73-I77 WeakPolarHBondContact O-CB 3.49Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 2.63Å; D74-I77 PolarHBondContact O-N 3.46Å; I77-R79 PolarHBondContact O-N 2.95Å; I77-A80 PolarHBondContact O-N 3.4Å; I77-A81 VanDerWaalsContact O-CB 3.3Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.36Å; I77-L85 HydrophobicContact CG2-CD2 3.78Å; I77-L108 HydrophobicContact CG2-CD1 4.29Å; I77-V113 HydrophobicContact CG2-CG1 3.95Å; I77-V113 HydrophobicContact CG2-CG2 4.09Å
78H98.6Very high96.9Very high24 Ų2445 Ų4511%0.11128%0.279CS..Hα-helixtrans-61.4-41.5176.6-87.6-86.8000112.9G69 D74 G82G69-H78 VanDerWaalsContact CA-CD2 3.49Å; G69-H78 WeakPolarHBondContact CA-CD2 3.3Å; G69-H78 WeakPolarHBondContact CA-NE2 3.26Å; G69-H78 PolarHBondContact N-NE2 3.4Å; D74-H78 PolarHBondContact O-CD2 2.8Å; D74-H78 PolarHBondContact O-N 2.72Å; D74-H78 IonicContact OD1-CD2 2.68Å; D74-H78 PolarHBondContact OD1-CD2 2.86Å; D74-H78 IonicContact OD1-NE2 3.42Å; H78-G82 PolarHBondContact O-N 3.32Å; H78-G82 VanDerWaalsContact O-N 3.1Å
79R98.6Very high97Very high157 Ų15741.5 Ų41.559%0.59226%0.261SS*.Hα-helixtrans-63.1-43.9175.5-76.4-170.9-55.9-85.81.8111.2K11 G75 A76 I77K11-R79 WeakPolarHBondContact CD-O 3.16Å; K11-R79 VanDerWaalsContact CE-O 3.22Å; K11-R79 WeakPolarHBondContact CE-O 3.38Å; K11-R79 PolarHBondContact NZ-O 3.03Å; G75-R79 VanDerWaalsContact C-NH1 3.35Å; G75-R79 WeakPolarHBondContact O-CB 3.5Å; G75-R79 VanDerWaalsContact O-CG 3.3Å; G75-R79 WeakPolarHBondContact O-CG 3.3Å; G75-R79 PolarHBondContact O-N 3.46Å; G75-R79 PolarHBondContact O-NH1 3.34Å; A76-R79 PolarHBondContact O-N 2.9Å; I77-R79 PolarHBondContact O-N 2.95Å
80A98.6Very high97.4Very high13 Ų1343.4 Ų43.411%0.10728%0.275CS..Hα-helixtrans-71.7-41-177.100000113K11 T52 A76 I77 G82 F107 L108K11-A80 VanDerWaalsContact CB-O 3.26Å; K11-A80 WeakPolarHBondContact CB-O 3.19Å; K11-A80 WeakPolarHBondContact CD-O 3.44Å; T52-A80 HydrophobicContact CG2-CB 3.79Å; A76-A80 WeakPolarHBondContact O-CB 3.45Å; A76-A80 PolarHBondContact O-N 3.01Å; I77-A80 PolarHBondContact O-N 3.4Å; A80-G82 VanDerWaalsContact C-N 3.35Å; A80-F107 WeakPolarHBondContact O-CB 3.31Å; A80-L108 HydrophobicContact CB-CD2 3.54Å; A80-L108 HydrophobicContact CB-CG 4.49Å
81A98.6Very high97.7Very high0 Ų045.8 Ų45.80%028%0.281CS..Hα-helixtrans-73.2-26.1178.600000113.4I77 L85 Y106 F107 L108I77-A81 VanDerWaalsContact O-CB 3.3Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.36Å; A81-L85 HydrophobicContact CB-CB 3.67Å; A81-L85 HydrophobicContact CB-CD2 3.53Å; A81-L85 HydrophobicContact CB-CG 4.14Å; A81-Y106 WeakPolarHBondContact O-CB 3.4Å; A81-F107 WeakPolarHBondContact O-CD2 3.5Å; A81-F107 PolarHBondContact O-N 3.31Å; A81-L108 HydrophobicContact CB-CD1 3.77Å; A81-L108 HydrophobicContact CB-CG 3.89Å
82G98.1Very high97.9Very high6 Ų644.7 Ų44.76%0.06226%0.26CS..  trans86.3-178.2-178.800000114.1H78 A80 S84 L85H78-G82 PolarHBondContact O-N 3.32Å; H78-G82 VanDerWaalsContact O-N 3.1Å; A80-G82 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 3.38Å; G82-L85 PolarHBondContact O-N 3.34Å
83P97.5Very high98Very high96 Ų9648.8 Ų48.862%0.62327%0.267SS*.Hα-helixtrans-63-28-169.324.8-34.6000113.5L85 K86 M87P83-L85 VanDerWaalsContact C-N 3.25Å; P83-L85 PolarHBondContact O-N 2.92Å; P83-K86 PolarHBondContact O-N 3.47Å; P83-K86 VanDerWaalsContact O-N 3.13Å; P83-M87 PolarHBondContact O-N 3.12Å
84S98.2Very high98Very high32 Ų3247.4 Ų47.422%0.22426%0.261CS..Hα-helixtrans-60.6-32.9179.2-520000113.3G82 K86 M87 E88 Y106G82-S84 PolarHBondContact O-N 3.38Å; S84-K86 VanDerWaalsContact C-N 3.33Å; S84-K86 PolarHBondContact O-N 2.87Å; S84-M87 PolarHBondContact O-N 2.83Å; S84-E88 PolarHBondContact O-N 2.88Å; S84-Y106 PolarHBondContact O-OH 3.37Å
85L98.5Very high98Very high0 Ų047.7 Ų47.70%026%0.263CS..Hα-helixtrans-60.4-44.9175.2-17564000111.7I77 A81 G82 P83 M87 E88 T89 T103 Y106 V113I77-L85 HydrophobicContact CG2-CD2 3.78Å; A81-L85 HydrophobicContact CB-CB 3.67Å; A81-L85 HydrophobicContact CB-CD2 3.53Å; A81-L85 HydrophobicContact CB-CG 4.14Å; G82-L85 PolarHBondContact O-N 3.34Å; P83-L85 VanDerWaalsContact C-N 3.25Å; P83-L85 PolarHBondContact O-N 2.92Å; L85-M87 VanDerWaalsContact C-N 3.3Å; L85-M87 PolarHBondContact O-N 3.43Å; L85-E88 PolarHBondContact O-N 3.21Å; L85-T89 HydrophobicContact CD1-CG2 4.3Å; L85-T89 HydrophobicContact CG-CG2 4.36Å; L85-T89 WeakPolarHBondContact O-CG2 3.13Å; L85-T89 PolarHBondContact O-N 3.35Å; L85-T89 PolarHBondContact O-OG1 3.04Å; L85-T103 HydrophobicContact CD1-CG2 4.4Å; L85-T103 WeakPolarHBondContact CD1-OG1 3.34Å; L85-Y106 HydrophobicContact CB-CD2 3.84Å; L85-Y106 HydrophobicContact CB-CE2 4.02Å; L85-Y106 HydrophobicContact CD1-CD2 4.11Å; L85-Y106 HydrophobicContact CD1-CE2 4Å; L85-V113 HydrophobicContact CD1-CG2 4.41Å
86K97.9Very high98.1Very high112 Ų11254.9 Ų54.949%0.48730%0.295SS..Hα-helixtrans-67.3-33.2178.7-169.8173.5-178.9170.90112.2L68 P83 S84 T89 A90L68-K86 VanDerWaalsContact O-CE 3.24Å; L68-K86 WeakPolarHBondContact O-CE 3.42Å; P83-K86 PolarHBondContact O-N 3.47Å; P83-K86 VanDerWaalsContact O-N 3.13Å; S84-K86 VanDerWaalsContact C-N 3.33Å; S84-K86 PolarHBondContact O-N 2.87Å; K86-T89 WeakPolarHBondContact CA-OG1 3.32Å; K86-T89 PolarHBondContact O-OG1 3.05Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.24Å
87M98.2Very high98.1Very high123 Ų12356.9 Ų56.961%0.60631%0.306SS*.Hα-helixtrans-64.9-44.6175.3-65.7-170.1-68.700111.1P83 S84 L85P83-M87 PolarHBondContact O-N 3.12Å; S84-M87 PolarHBondContact O-N 2.83Å; L85-M87 VanDerWaalsContact C-N 3.3Å; L85-M87 PolarHBondContact O-N 3.43Å
88E98.6Very high98.1Very high47 Ų4757.1 Ų57.122%0.2231%0.308CS..Hα-helixtrans-68.1-45.3176.2-177.9177.2-172.600111.8S84 L85 A90 T91 T103 L104 Y106S84-E88 PolarHBondContact O-N 2.88Å; L85-E88 PolarHBondContact O-N 3.21Å; E88-A90 PolarHBondContact O-N 2.8Å; E88-T91 WeakPolarHBondContact O-CB 3.12Å; E88-T91 PolarHBondContact O-N 3.1Å; E88-T91 PolarHBondContact O-OG1 3.19Å; E88-T103 HydrophobicContact CG-CG2 3.83Å; E88-T103 VanDerWaalsContact OE1-CA 3.29Å; E88-T103 WeakPolarHBondContact OE1-CA 3.49Å; E88-T103 WeakPolarHBondContact OE2-CB 3.37Å; E88-L104 PolarHBondContact OE1-N 3.16Å; E88-L104 PolarHBondContact OE2-N 2.98Å; E88-Y106 HydrophobicContact CB-CE2 4.39Å; E88-Y106 WeakPolarHBondContact CB-OH 3.24Å; E88-Y106 VanDerWaalsContact OE2-CE2 3.28Å; E88-Y106 WeakPolarHBondContact OE2-CE2 3.29Å; E88-Y106 VanDerWaalsContact OE2-CZ 3.27Å; E88-Y106 PolarHBondContact OE2-OH 3.33Å
89T98.2Very high98.1Very high0 Ų058.5 Ų58.50%032%0.316CS..Hα-helixtrans-63.6-29.1179.363.30000113L67 L85 K86 T91 L92 T103L67-T89 WeakPolarHBondContact O-CB 3.35Å; L67-T89 PolarHBondContact O-OG1 3.41Å; L85-T89 HydrophobicContact CD1-CG2 4.3Å; L85-T89 HydrophobicContact CG-CG2 4.36Å; L85-T89 WeakPolarHBondContact O-CG2 3.13Å; L85-T89 PolarHBondContact O-N 3.35Å; L85-T89 PolarHBondContact O-OG1 3.04Å; K86-T89 WeakPolarHBondContact CA-OG1 3.32Å; K86-T89 PolarHBondContact O-OG1 3.05Å; T89-T91 PolarHBondContact O-N 3.04Å; T89-L92 HydrophobicContact CG2-CD1 4.45Å; T89-L92 WeakPolarHBondContact O-CB 3.28Å; T89-L92 PolarHBondContact O-N 3.17Å; T89-L92 VanDerWaalsContact O-N 3.12Å; T89-T103 HydrophobicContact CG2-CG2 3.93Å
90A97.8Very high98.1Very high56 Ų5651.1 Ų51.146%0.46329%0.288SS..Hα-helixtrans-62.9-25.417200000113.5L68 K86 E88 L92L68-A90 HydrophobicContact CD2-CB 3.85Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.24Å; E88-A90 PolarHBondContact O-N 2.8Å; A90-L92 VanDerWaalsContact C-N 3.33Å
91T98.1Very high98.1Very high96 Ų9653.4 Ų53.459%0.58930%0.296SS*.Hα-helixtrans-80.3-13.8175.872.70000113.5E88 T89 N93E88-T91 WeakPolarHBondContact O-CB 3.12Å; E88-T91 PolarHBondContact O-N 3.1Å; E88-T91 PolarHBondContact O-OG1 3.19Å; T89-T91 PolarHBondContact O-N 3.04Å; T91-N93 VanDerWaalsContact C-N 3.32Å; T91-N93 PolarHBondContact O-N 3.34Å; T91-N93 PolarHBondContact O-ND2 3.08Å
92L97.7Very high98.1Very high36 Ų3655.4 Ų55.419%0.18831%0.306CS..THydrogen-bonded Turntrans-80-10.9-175-62.8-178.4000113.8L67 T89 A90 G94 K101 T103L67-L92 HydrophobicContact CD1-CB 3.97Å; L67-L92 HydrophobicContact CD1-CD1 3.72Å; T89-L92 HydrophobicContact CG2-CD1 4.45Å; T89-L92 WeakPolarHBondContact O-CB 3.28Å; T89-L92 PolarHBondContact O-N 3.17Å; T89-L92 VanDerWaalsContact O-N 3.12Å; A90-L92 VanDerWaalsContact C-N 3.33Å; L92-G94 PolarHBondContact O-N 2.91Å; L92-K101 HydrophobicContact CB-CD 3.99Å; L92-K101 HydrophobicContact CD1-CB 3.92Å; L92-K101 HydrophobicContact CD1-CD 4.35Å; L92-K101 PolarHBondContact O-NZ 2.93Å; L92-T103 HydrophobicContact CD1-CG2 3.71Å
93N95.8Very high98.1Very high153 Ų15355.2 Ų55.282%0.81830%0.304SS*.THydrogen-bonded Turntrans55.445.6-177-58.3-59.3000113.2T91T91-N93 VanDerWaalsContact C-N 3.32Å; T91-N93 PolarHBondContact O-N 3.34Å; T91-N93 PolarHBondContact O-ND2 3.08Å
94G96.9Very high98.2Very high12 Ų1254.8 Ų54.812%0.12430%0.296CS..  trans71.6-170178.100000114.5H65 L92 K101H65-G94 CarbonylContact O-C 3.51Å; H65-G94 WeakPolarHBondContact O-CA 3.33Å; L92-G94 PolarHBondContact O-N 2.91Å; G94-K101 WeakPolarHBondContact O-CD 3.47Å; G94-K101 VanDerWaalsContact O-CE 3.29Å; G94-K101 WeakPolarHBondContact O-CE 3.14Å; G94-K101 PolarHBondContact O-NZ 2.81Å
95C98.4Very high98.2Very high11 Ų1153.2 Ų53.27%0.07429%0.285CS..  trans-151.9142.9176.4-172.60000110.5H65 L67 D99 K101 V117H65-C95 WeakPolarHBondContact CA-O 3.36Å; H65-C95 PolarHBondContact O-N 3.11Å; L67-C95 HydrophobicContact CD1-CB 3.89Å; L67-C95 HydrophobicContact CD2-CB 3.74Å; L67-C95 HydrophobicContact CG-CB 3.93Å; C95-D99 VanDerWaalsContact SG-C 3.52Å; C95-K101 HydrophobicContact CB-CD 4.46Å; C95-V117 HydrophobicContact CB-CG2 3.72Å
96Q98.4Very high98.1Very high155 Ų15556.9 Ų56.972%0.72430%0.3SS*.  trans-76.9150.4177.2-67.3-175.1-24.700110.8G98 D99Q96-G98 PolarHBondContact O-N 2.66Å; Q96-D99 HydrophobicContact CB-CB 4.45Å; Q96-D99 PolarHBondContact O-N 2.96Å; Q96-D99 VanDerWaalsContact O-N 3.09Å
97T98.3Very high98.2Very high66 Ų6655.6 Ų55.641%0.40529%0.294SS..BIsolated β-bridgetrans-58.2131.3172.3-56.10000110.7D99 V117 P119 L126T97-D99 VanDerWaalsContact C-N 3.35Å; T97-V117 CarbonylContact C-O 3.49Å; T97-V117 WeakPolarHBondContact CA-O 3.22Å; T97-P119 HydrophobicContact CG2-CB 4.13Å; T97-L126 HydrophobicContact CG2-CB 4.42Å; T97-L126 HydrophobicContact CG2-CD1 3.9Å
98G98.4Very high98.2Very high4 Ų449.7 Ų49.74%0.04127%0.265CS..THydrogen-bonded Turntrans88.2-3.7-176.300000114.8Q96 V117 S129 C130Q96-G98 PolarHBondContact O-N 2.66Å; G98-V117 PolarHBondContact N-O 2.81Å; G98-S129 CarbonylContact O-C 3.55Å; G98-S129 VanDerWaalsContact O-C 3.25Å; G98-S129 WeakPolarHBondContact O-CB 3.47Å; G98-S129 PolarHBondContact O-OG 2.76Å; G98-C130 VanDerWaalsContact CA-SG 3.59Å; G98-C130 PolarHBondContact O-N 2.83Å
99D98.6Very high98.2Very high53 Ų5347.6 Ų47.628%0.28326%0.255SS..  trans-111.1172.8177.7-165.316.2000111.1C95 Q96 T97 T116 V117 R133C95-D99 VanDerWaalsContact SG-C 3.52Å; Q96-D99 HydrophobicContact CB-CB 4.45Å; Q96-D99 PolarHBondContact O-N 2.96Å; Q96-D99 VanDerWaalsContact O-N 3.09Å; T97-D99 VanDerWaalsContact C-N 3.35Å; D99-T116 WeakPolarHBondContact O-CA 3.37Å; D99-T116 PolarHBondContact O-OG1 2.85Å; D99-V117 PolarHBondContact O-N 3.4Å; D99-R133 WeakPolarHBondContact OD1-CD 3.37Å; D99-R133 WeakPolarHBondContact OD1-CG 3.24Å; D99-R133 IonicContact OD1-NE 3.21Å; D99-R133 PolarHBondContact OD1-NE 2.71Å
100A98.8Very high98.2Very high2 Ų247.6 Ų47.62%0.01726%0.256CS..EExtended strand (participates in β ladder)trans-146.4152.2178.600000112.8I114 H115 R133 I137A100-I114 HydrophobicContact CB-CG2 3.85Å; A100-H115 CarbonylContact C-O 3.6Å; A100-H115 WeakPolarHBondContact CA-O 3.41Å; A100-R133 HydrophobicContact CB-CB 4.34Å; A100-R133 HydrophobicContact CB-CG 3.82Å; A100-I137 HydrophobicContact CB-CD1 3.71Å; A100-I137 WeakPolarHBondContact O-CD1 3.44Å
101K98.7Very high98.2Very high61 Ų6150.2 Ų50.227%0.26526%0.257SS..EExtended strand (participates in β ladder)trans-134.3149.7175.9-64.6-174.5176.7175.70110.7L67 L92 G94 C95 I114 H115L67-K101 HydrophobicContact CD1-CB 4.43Å; L67-K101 HydrophobicContact CD1-CD 4.21Å; L92-K101 HydrophobicContact CB-CD 3.99Å; L92-K101 HydrophobicContact CD1-CB 3.92Å; L92-K101 HydrophobicContact CD1-CD 4.35Å; L92-K101 PolarHBondContact O-NZ 2.93Å; G94-K101 WeakPolarHBondContact O-CD 3.47Å; G94-K101 VanDerWaalsContact O-CE 3.29Å; G94-K101 WeakPolarHBondContact O-CE 3.14Å; G94-K101 PolarHBondContact O-NZ 2.81Å; C95-K101 HydrophobicContact CB-CD 4.46Å; K101-I114 CarbonylContact O-C 3.44Å; K101-H115 PolarHBondContact N-O 3.5Å; K101-H115 PolarHBondContact O-N 3.5Å
102I98.8Very high98.3Very high42 Ų4247.8 Ų47.822%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-107.3145.9-175.6-171.4167.1000111.9H112 V113 I114 I137 N141 L143I102-H112 HydrophobicContact CD1-CB 3.86Å; I102-H112 HydrophobicContact CG1-CB 4Å; I102-V113 WeakPolarHBondContact CA-O 3.38Å; I102-I114 HydrophobicContact CB-CG1 4.49Å; I102-I114 HydrophobicContact CD1-CG1 4.27Å; I102-I114 HydrophobicContact CG1-CG1 4.22Å; I102-I137 HydrophobicContact CB-CG2 3.89Å; I102-I137 HydrophobicContact CD1-CG2 3.85Å; I102-I137 HydrophobicContact CG1-CG2 4.37Å; I102-I137 HydrophobicContact CG2-CG2 4.31Å; I102-N141 HydrophobicContact CD1-CB 4.42Å; I102-L143 HydrophobicContact CD1-CD1 3.82Å
103T98.8Very high98.3Very high2 Ų246 Ų461%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-135.5177.3171.665.20000111.1L85 E88 T89 L92 H112 V113 H115L85-T103 HydrophobicContact CD1-CG2 4.4Å; L85-T103 WeakPolarHBondContact CD1-OG1 3.34Å; E88-T103 HydrophobicContact CG-CG2 3.83Å; E88-T103 VanDerWaalsContact OE1-CA 3.29Å; E88-T103 WeakPolarHBondContact OE1-CA 3.49Å; E88-T103 WeakPolarHBondContact OE2-CB 3.37Å; T89-T103 HydrophobicContact CG2-CG2 3.93Å; L92-T103 HydrophobicContact CD1-CG2 3.71Å; T103-H112 VanDerWaalsContact O-CA 3.28Å; T103-H112 WeakPolarHBondContact O-CA 3.17Å; T103-H112 WeakPolarHBondContact O-CB 3.36Å; T103-H112 PolarHBondContact O-ND1 3.2Å; T103-V113 PolarHBondContact N-O 3.19Å; T103-V113 PolarHBondContact O-N 3.16Å; T103-V113 VanDerWaalsContact O-N 3.15Å; T103-H115 PolarHBondContact OG1-NE2 3.28Å; T103-H115 VanDerWaalsContact OG1-NE2 3.08Å
104L98.5Very high98.5Very high87 Ų8738.8 Ų38.846%0.45519%0.19SC..EExtended strand (participates in β ladder)trans-73155.7165.5-62.7179.3000111.8E88 Y106E88-L104 PolarHBondContact OE1-N 3.16Å; E88-L104 PolarHBondContact OE2-N 2.98Å; L104-Y106 HydrophobicContact CB-CD2 4.32Å; L104-Y106 HydrophobicContact CB-CE1 4.38Å; L104-Y106 HydrophobicContact CB-CE2 4.05Å; L104-Y106 VanDerWaalsContact O-CD2 3.29Å; L104-Y106 WeakPolarHBondContact O-CD2 3.32Å; L104-Y106 WeakPolarHBondContact O-CE2 3.23Å
105G98.3Very high98.6Very high0 Ų038.2 Ų38.20%018%0.184CC..  trans-84.9-16176.800000114.8F107 L108 K111G105-F107 PolarHBondContact O-N 2.86Å; G105-F107 VanDerWaalsContact O-N 3.16Å; G105-L108 WeakPolarHBondContact O-CB 3.23Å; G105-L108 WeakPolarHBondContact O-CD1 3.48Å; G105-L108 VanDerWaalsContact O-CG 3.31Å; G105-L108 WeakPolarHBondContact O-CG 3.09Å; G105-L108 PolarHBondContact O-N 3.28Å; G105-K111 PolarHBondContact N-O 2.69Å
106Y97.6Very high98.6Very high77 Ų7737.7 Ų37.730%0.30218%0.181SC..THydrogen-bonded Turntrans53.8-114.2179.3-60.2-75.5000113.6A81 S84 L85 E88 L104 L108A81-Y106 WeakPolarHBondContact O-CB 3.4Å; S84-Y106 PolarHBondContact O-OH 3.37Å; L85-Y106 HydrophobicContact CB-CD2 3.84Å; L85-Y106 HydrophobicContact CB-CE2 4.02Å; L85-Y106 HydrophobicContact CD1-CD2 4.11Å; L85-Y106 HydrophobicContact CD1-CE2 4Å; E88-Y106 HydrophobicContact CB-CE2 4.39Å; E88-Y106 WeakPolarHBondContact CB-OH 3.24Å; E88-Y106 VanDerWaalsContact OE2-CE2 3.28Å; E88-Y106 WeakPolarHBondContact OE2-CE2 3.29Å; E88-Y106 VanDerWaalsContact OE2-CZ 3.27Å; E88-Y106 PolarHBondContact OE2-OH 3.33Å; L104-Y106 HydrophobicContact CB-CD2 4.32Å; L104-Y106 HydrophobicContact CB-CE1 4.38Å; L104-Y106 HydrophobicContact CB-CE2 4.05Å; L104-Y106 VanDerWaalsContact O-CD2 3.29Å; L104-Y106 WeakPolarHBondContact O-CD2 3.32Å; L104-Y106 WeakPolarHBondContact O-CE2 3.23Å; Y106-L108 PolarHBondContact O-N 3.03Å
107F98.3Very high98.6Very high84 Ų8430.4 Ų30.437%0.36815%0.147SC..THydrogen-bonded Turntrans-82.25.1178.5-57-56.5000113.6L9 Y10 K11 A80 A81 G105L9-F107 HydrophobicContact CB-CD1 4.43Å; L9-F107 WeakPolarHBondContact O-CD1 3.14Å; Y10-F107 WeakPolarHBondContact CA-O 3.25Å; K11-F107 HydrophobicContact CB-CB 4.06Å; K11-F107 PolarHBondContact N-O 3.16Å; A80-F107 WeakPolarHBondContact O-CB 3.31Å; A81-F107 WeakPolarHBondContact O-CD2 3.5Å; A81-F107 PolarHBondContact O-N 3.31Å; G105-F107 PolarHBondContact O-N 2.86Å; G105-F107 VanDerWaalsContact O-N 3.16Å
108L98.8Very high98.6Very high0 Ų027.4 Ų27.40%013%0.129CC..SBendtrans-73.9149.3168.1-68.9163000111.1T52 I59 I77 A80 A81 G105 Y106 A110 V113T52-L108 HydrophobicContact CG2-CD2 4.16Å; I59-L108 HydrophobicContact CD1-CD1 3.81Å; I59-L108 HydrophobicContact CD1-CD2 4.08Å; I59-L108 HydrophobicContact CG1-CD1 4.47Å; I77-L108 HydrophobicContact CG2-CD1 4.29Å; A80-L108 HydrophobicContact CB-CD2 3.54Å; A80-L108 HydrophobicContact CB-CG 4.49Å; A81-L108 HydrophobicContact CB-CD1 3.77Å; A81-L108 HydrophobicContact CB-CG 3.89Å; G105-L108 WeakPolarHBondContact O-CB 3.23Å; G105-L108 WeakPolarHBondContact O-CD1 3.48Å; G105-L108 VanDerWaalsContact O-CG 3.31Å; G105-L108 WeakPolarHBondContact O-CG 3.09Å; G105-L108 PolarHBondContact O-N 3.28Å; Y106-L108 PolarHBondContact O-N 3.03Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 HydrophobicContact CB-CB 4.39Å; L108-A110 PolarHBondContact O-N 3.15Å; L108-V113 HydrophobicContact CD1-CG2 3.42Å; L108-V113 VanDerWaalsContact CD1-CG2 3.42Å
109P98.6Very high98.6Very high2 Ų227.2 Ų27.21%0.01313%0.127CC..SBendtrans-59-40164-21.934.6000112.4K6 Y10 C12 F16 T52 E55K6-P109 PolarHBondContact NZ-O 3.3Å; Y10-P109 HydrophobicContact CD1-CG 4.47Å; Y10-P109 HydrophobicContact CD2-CB 3.92Å; Y10-P109 HydrophobicContact CD2-CG 3.73Å; Y10-P109 HydrophobicContact CE1-CB 4.35Å; Y10-P109 HydrophobicContact CE2-CB 3.63Å; Y10-P109 HydrophobicContact CE2-CG 4Å; Y10-P109 HydrophobicContact CG-CB 4.39Å; Y10-P109 HydrophobicContact CG-CG 4Å; Y10-P109 VanDerWaalsContact CZ-CA 3.49Å; C12-P109 VanDerWaalsContact SG-CG 3.57Å; F16-P109 HydrophobicContact CB-CB 4.08Å; F16-P109 HydrophobicContact CB-CG 3.73Å; T52-P109 WeakPolarHBondContact O-CD 3.35Å; E55-P109 HydrophobicContact CB-CB 3.72Å; E55-P109 HydrophobicContact CG-CB 4.14Å
110A98.8Very high98.4Very high1 Ų129 Ų291%0.00814%0.14CC..SBendtrans-58.6142.1173.600000112.2L54 I56 I59 L108L54-A110 PolarHBondContact O-N 2.86Å; I56-A110 HydrophobicContact CG1-CB 4.5Å; I56-A110 VanDerWaalsContact O-CA 3.25Å; I56-A110 WeakPolarHBondContact O-CA 3.28Å; I59-A110 HydrophobicContact CB-CB 4.38Å; I59-A110 HydrophobicContact CD1-CB 4.41Å; I59-A110 HydrophobicContact CG1-CB 4.01Å; I59-A110 HydrophobicContact CG2-CB 3.77Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 HydrophobicContact CB-CB 4.39Å; L108-A110 PolarHBondContact O-N 3.15Å
111K98.5Very high98.2Very high111 Ų11130 Ų3048%0.48315%0.151SC..SBendtrans-73.9-36.2-179.9-57.6174.1-173.51630112.1I56 D57 G105I56-K111 PolarHBondContact O-N 2.68Å; I56-K111 VanDerWaalsContact O-N 3.07Å; D57-K111 CarbonylContact O-C 3.55Å; D57-K111 WeakPolarHBondContact O-CA 3.42Å; D57-K111 WeakPolarHBondContact O-CB 3.45Å; D57-K111 PolarHBondContact O-N 3.33Å; D57-K111 VanDerWaalsContact O-N 3.17Å; D57-K111 WeakPolarHBondContact OD1-CD 3.39Å; D57-K111 VanDerWaalsContact OD1-CE 3.3Å; D57-K111 WeakPolarHBondContact OD1-CE 3.43Å; D57-K111 IonicContact OD1-NZ 3.56Å; D57-K111 PolarHBondContact OD1-NZ 3.24Å; G105-K111 PolarHBondContact N-O 2.69Å
112H98.9Very high98.1Very high44 Ų4431.5 Ų31.520%0.20416%0.159CC..EExtended strand (participates in β ladder)trans-133.5157.8-176.4-65.7-73.5000112.3D57 A58 I59 I102 T103 L143D57-H112 PolarHBondContact O-N 3.43Å; A58-H112 WeakPolarHBondContact CA-O 3.3Å; A58-H112 HydrophobicContact CB-CB 4.34Å; I59-H112 PolarHBondContact N-O 2.99Å; I59-H112 VanDerWaalsContact N-O 3.13Å; I102-H112 HydrophobicContact CD1-CB 3.86Å; I102-H112 HydrophobicContact CG1-CB 4Å; T103-H112 VanDerWaalsContact O-CA 3.28Å; T103-H112 WeakPolarHBondContact O-CA 3.17Å; T103-H112 WeakPolarHBondContact O-CB 3.36Å; T103-H112 PolarHBondContact O-ND1 3.2Å; H112-L143 HydrophobicContact CB-CD1 4.28Å
113V98.9Very high98.1Very high0 Ų034.7 Ų34.70%017%0.171CC..EExtended strand (participates in β ladder)trans-116.1129.9165.7-175.70000108.1I59 N61 I77 L85 I102 T103 L108 H115I59-V113 HydrophobicContact CG1-CG2 4.19Å; I59-V113 WeakPolarHBondContact O-CA 3.47Å; N61-V113 HydrophobicContact CB-CG1 3.68Å; I77-V113 HydrophobicContact CG2-CG1 3.95Å; I77-V113 HydrophobicContact CG2-CG2 4.09Å; L85-V113 HydrophobicContact CD1-CG2 4.41Å; I102-V113 WeakPolarHBondContact CA-O 3.38Å; T103-V113 PolarHBondContact N-O 3.19Å; T103-V113 PolarHBondContact O-N 3.16Å; T103-V113 VanDerWaalsContact O-N 3.15Å; L108-V113 HydrophobicContact CD1-CG2 3.42Å; L108-V113 VanDerWaalsContact CD1-CG2 3.42Å; V113-H115 WeakPolarHBondContact CG1-NE2 3.43Å
114I98.9Very high98Very high0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-104107.7171.9-59173.5000107.4A58 I59 V60 N61 A100 K101 I102 C134 I137 C138A58-I114 HydrophobicContact CB-CD1 3.79Å; A58-I114 HydrophobicContact CB-CG1 4.08Å; I59-I114 PolarHBondContact O-N 3.28Å; V60-I114 CarbonylContact C-O 3.55Å; V60-I114 VanDerWaalsContact CA-O 3.28Å; V60-I114 WeakPolarHBondContact CA-O 3.26Å; V60-I114 HydrophobicContact CG2-CB 4.32Å; N61-I114 PolarHBondContact N-O 3.34Å; A100-I114 HydrophobicContact CB-CG2 3.85Å; K101-I114 CarbonylContact O-C 3.44Å; I102-I114 HydrophobicContact CB-CG1 4.49Å; I102-I114 HydrophobicContact CD1-CG1 4.27Å; I102-I114 HydrophobicContact CG1-CG1 4.22Å; I114-C134 HydrophobicContact CG2-CB 4.06Å; I114-I137 HydrophobicContact CD1-CB 4.24Å; I114-I137 HydrophobicContact CD1-CG2 3.7Å; I114-I137 HydrophobicContact CG1-CG2 3.93Å; I114-I137 HydrophobicContact CG2-CD1 3.99Å; I114-I137 HydrophobicContact CG2-CG2 4.4Å; I114-C138 WeakPolarHBondContact CD1-SG 3.32Å
115H98.8Very high98Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-88.3115.9-178.8-56.9-100.9000110.1N61 A63 L67 A100 K101 T103 V113N61-H115 PolarHBondContact ND2-ND1 3.39Å; A63-H115 HydrophobicContact CB-CB 4.29Å; L67-H115 HydrophobicContact CD2-CB 3.8Å; A100-H115 CarbonylContact C-O 3.6Å; A100-H115 WeakPolarHBondContact CA-O 3.41Å; K101-H115 PolarHBondContact N-O 3.5Å; K101-H115 PolarHBondContact O-N 3.5Å; T103-H115 PolarHBondContact OG1-NE2 3.28Å; T103-H115 VanDerWaalsContact OG1-NE2 3.08Å; V113-H115 WeakPolarHBondContact CG1-NE2 3.43Å
116T98.8Very high98Very high0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-121.3145.8177.2-170.60000111.2V60 N61 A63 D99 C130 I151V60-T116 HydrophobicContact CG1-CG2 3.61Å; N61-T116 PolarHBondContact O-N 3.46Å; A63-T116 PolarHBondContact N-O 3.17Å; D99-T116 WeakPolarHBondContact O-CA 3.37Å; D99-T116 PolarHBondContact O-OG1 2.85Å; T116-C130 HydrophobicContact CG2-CB 4.2Å; T116-C130 VanDerWaalsContact OG1-CB 3.29Å; T116-C130 WeakPolarHBondContact OG1-CB 3.33Å; T116-C130 PolarHBondContact OG1-SG 3.46Å; T116-I151 HydrophobicContact CG2-CD1 3.76Å
117V98.5Very high98.1Very high3 Ų337.2 Ų37.22%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-104.5102-178-177.20000108.8H65 L67 C95 T97 G98 D99 C130H65-V117 HydrophobicContact CB-CG1 4.47Å; L67-V117 HydrophobicContact CD2-CG2 4.2Å; C95-V117 HydrophobicContact CB-CG2 3.72Å; T97-V117 CarbonylContact C-O 3.49Å; T97-V117 WeakPolarHBondContact CA-O 3.22Å; G98-V117 PolarHBondContact N-O 2.81Å; D99-V117 PolarHBondContact O-N 3.4Å; V117-C130 PolarHBondContact O-SG 3.13Å; V117-C130 VanDerWaalsContact O-SG 3.34Å
118G97.9Very high98.1Very high2 Ų236.1 Ų36.12%0.02119%0.186CC..PPolyproline II helixtrans-66.4154.4176.600000113.1S152 Y156G118-S152 VanDerWaalsContact CA-OG 3.26Å; G118-S152 WeakPolarHBondContact CA-OG 3.41Å; G118-Y156 WeakPolarHBondContact O-CD2 3.18Å; G118-Y156 VanDerWaalsContact O-CE2 3.3Å; G118-Y156 WeakPolarHBondContact O-CE2 3.45Å
119P97.8Very high98.1Very high0 Ų037.5 Ų37.50%020%0.195CC..PPolyproline II helixtrans-69.3146.8173.228.9-35.5000112.6T97 K123 L126 L127 S152 Y158T97-P119 HydrophobicContact CG2-CB 4.13Å; P119-K123 HydrophobicContact CB-CB 3.72Å; P119-K123 HydrophobicContact CB-CD 4.01Å; P119-K123 HydrophobicContact CB-CG 4.17Å; P119-K123 HydrophobicContact CG-CB 4.15Å; P119-L126 HydrophobicContact CB-CB 3.97Å; P119-L126 HydrophobicContact CB-CD1 4.18Å; P119-L126 HydrophobicContact CG-CB 4.08Å; P119-L127 HydrophobicContact CG-CB 4.05Å; P119-S152 WeakPolarHBondContact CD-OG 3.47Å; P119-S152 WeakPolarHBondContact O-CB 3.45Å; P119-S152 PolarHBondContact O-OG 2.82Å; P119-Y158 HydrophobicContact CG-CD2 4.2Å; P119-Y158 HydrophobicContact CG-CE2 4.28Å
120V95.9Very high98.1Very high91 Ų9137.4 Ų37.455%0.55220%0.195SC*.SBendtrans-79.1123.8162.2-176.90000108.7K123 Y156V120-K123 WeakPolarHBondContact O-CE 3.46Å; V120-Y156 HydrophobicContact CG2-CD1 4.02Å; V120-Y156 HydrophobicContact CG2-CD2 4.33Å; V120-Y156 HydrophobicContact CG2-CE1 4.19Å; V120-Y156 HydrophobicContact CG2-CE2 4.49Å; V120-Y156 HydrophobicContact CG2-CG 4.1Å
121G94.5Very high98.1Very high24 Ų2437.4 Ų37.425%0.24719%0.194CC..SBendtrans73.8-178.5-174.500000113.8K123 Y156 Y158G121-K123 PolarHBondContact O-N 2.74Å; G121-Y156 PolarHBondContact N-O 3.09Å; G121-Y158 VanDerWaalsContact O-CD2 3.27Å; G121-Y158 WeakPolarHBondContact O-CD2 3.11Å
122E96Very high98.2Very high92 Ų9237.8 Ų37.843%0.4319%0.193SC..SBendtrans-74.292.3-176.3-170.7-179.3152.400111.7P124 Y158 K162E122-P124 HydrophobicContact CG-CG 4.43Å; E122-Y158 HydrophobicContact CG-CE1 4.05Å; E122-Y158 HydrophobicContact CG-CE2 4.41Å; E122-K162 HydrophobicContact CG-CD 4.38Å; E122-K162 WeakPolarHBondContact OE1-CD 3.13Å; E122-K162 WeakPolarHBondContact OE1-CE 3.48Å; E122-K162 IonicContact OE1-NZ 2.77Å; E122-K162 PolarHBondContact OE1-NZ 3.48Å; E122-K162 VanDerWaalsContact OE2-CD 3.26Å; E122-K162 WeakPolarHBondContact OE2-CD 3.28Å; E122-K162 IonicContact OE2-NZ 3.18Å; E122-K162 PolarHBondContact OE2-NZ 3.48Å
123K98.1Very high98.2Very high109 Ų10939 Ų3947%0.47420%0.195SC..  trans-124.283.6172.9-57.6179.4-175.8174.50109.9P119 V120 G121 D125 L126 L127P119-K123 HydrophobicContact CB-CB 3.72Å; P119-K123 HydrophobicContact CB-CD 4.01Å; P119-K123 HydrophobicContact CB-CG 4.17Å; P119-K123 HydrophobicContact CG-CB 4.15Å; V120-K123 WeakPolarHBondContact O-CE 3.46Å; G121-K123 PolarHBondContact O-N 2.74Å; K123-D125 VanDerWaalsContact C-N 3.28Å; K123-D125 PolarHBondContact O-N 3.25Å; K123-L126 HydrophobicContact CB-CB 4.28Å; K123-L126 HydrophobicContact CB-CD1 4.09Å; K123-L126 HydrophobicContact CB-CG 4.42Å; K123-L126 HydrophobicContact CD-CD1 3.72Å; K123-L126 PolarHBondContact O-N 3.04Å; K123-L126 VanDerWaalsContact O-N 3.17Å; K123-L127 PolarHBondContact O-N 3.08Å; K123-L127 VanDerWaalsContact O-N 3.09Å
124P98.2Very high98.2Very high46 Ų4639 Ų3930%0.29920%0.195SC..Hα-helixtrans-56.4-37.6-170.6-2633.2000114.3E122 L127 R128 Y158 V166E122-P124 HydrophobicContact CG-CG 4.43Å; P124-L127 PolarHBondContact O-N 2.67Å; P124-R128 VanDerWaalsContact O-CB 3.27Å; P124-R128 WeakPolarHBondContact O-CB 3.4Å; P124-R128 PolarHBondContact O-N 2.84Å; P124-Y158 VanDerWaalsContact CA-OH 3.31Å; P124-Y158 WeakPolarHBondContact CA-OH 3.29Å; P124-Y158 WeakPolarHBondContact CG-OH 3.42Å; P124-V166 HydrophobicContact CB-CG2 4.16Å
125D98.5Very high98.2Very high113 Ų11339 Ų3960%0.60420%0.195SC*.Hα-helixtrans-67.5-38.3-178.4-63.2-26000112.7K123 R128 S129K123-D125 VanDerWaalsContact C-N 3.28Å; K123-D125 PolarHBondContact O-N 3.25Å; D125-R128 IonicContact OD1-CZ 3.98Å; D125-R128 IonicContact OD1-NH1 2.68Å; D125-R128 PolarHBondContact OD1-NH1 3.19Å; D125-R128 IonicContact OD1-NH2 3.44Å; D125-S129 WeakPolarHBondContact O-CB 3.49Å; D125-S129 PolarHBondContact O-N 2.81Å
126L98.6Very high98.2Very high60 Ų6041 Ų4131%0.31421%0.207SC..Hα-helixtrans-71.6-41.3176.1-67.7175.7000111T97 P119 K123 S129 C130T97-L126 HydrophobicContact CG2-CB 4.42Å; T97-L126 HydrophobicContact CG2-CD1 3.9Å; P119-L126 HydrophobicContact CB-CB 3.97Å; P119-L126 HydrophobicContact CB-CD1 4.18Å; P119-L126 HydrophobicContact CG-CB 4.08Å; K123-L126 HydrophobicContact CB-CB 4.28Å; K123-L126 HydrophobicContact CB-CD1 4.09Å; K123-L126 HydrophobicContact CB-CG 4.42Å; K123-L126 HydrophobicContact CD-CD1 3.72Å; K123-L126 PolarHBondContact O-N 3.04Å; K123-L126 VanDerWaalsContact O-N 3.17Å; L126-S129 WeakPolarHBondContact O-CB 3.25Å; L126-S129 PolarHBondContact O-N 2.99Å; L126-S129 VanDerWaalsContact O-N 3.16Å; L126-C130 PolarHBondContact O-N 3.01Å; L126-C130 PolarHBondContact O-SG 3.35Å
127L98.8Very high98.2Very high0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-63.3-43.2175.8-176.262.3000111.3P119 K123 P124 S129 C130 Y131 I151 Y158 A163 V166P119-L127 HydrophobicContact CG-CB 4.05Å; K123-L127 PolarHBondContact O-N 3.08Å; K123-L127 VanDerWaalsContact O-N 3.09Å; P124-L127 PolarHBondContact O-N 2.67Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.45Å; L127-C130 WeakPolarHBondContact O-CB 3.43Å; L127-C130 PolarHBondContact O-N 2.95Å; L127-Y131 HydrophobicContact CD1-CD2 4.26Å; L127-Y131 HydrophobicContact CD1-CE2 3.8Å; L127-Y131 HydrophobicContact CG-CD2 4.28Å; L127-Y131 HydrophobicContact CG-CE2 4.04Å; L127-Y131 WeakPolarHBondContact O-CD2 3.27Å; L127-Y131 PolarHBondContact O-N 2.99Å; L127-I151 HydrophobicContact CD1-CB 3.91Å; L127-I151 HydrophobicContact CD1-CG2 3.9Å; L127-Y158 HydrophobicContact CB-CE2 3.91Å; L127-Y158 HydrophobicContact CD2-CD1 4.28Å; L127-Y158 HydrophobicContact CD2-CD2 3.9Å; L127-Y158 HydrophobicContact CD2-CE1 3.97Å; L127-Y158 HydrophobicContact CD2-CE2 3.52Å; L127-Y158 HydrophobicContact CD2-CG 4.26Å; L127-Y158 HydrophobicContact CG-CE2 4.31Å; L127-A163 HydrophobicContact CD2-CB 4.01Å; L127-V166 HydrophobicContact CB-CG1 4.04Å; L127-V166 HydrophobicContact CD2-CB 3.95Å; L127-V166 HydrophobicContact CD2-CG1 3.87Å; L127-V166 HydrophobicContact CD2-CG2 4.48Å; L127-V166 HydrophobicContact CG-CB 4.43Å; L127-V166 HydrophobicContact CG-CG1 3.8Å
128R98.7Very high98.2Very high61 Ų6141.1 Ų41.123%0.2321%0.207CC..Hα-helixtrans-56.7-43.4171.8-179.6175.9-40.61042.3111.2P124 D125 C130 Y131 R132 V166 T170P124-R128 VanDerWaalsContact O-CB 3.27Å; P124-R128 WeakPolarHBondContact O-CB 3.4Å; P124-R128 PolarHBondContact O-N 2.84Å; D125-R128 IonicContact OD1-CZ 3.98Å; D125-R128 IonicContact OD1-NH1 2.68Å; D125-R128 PolarHBondContact OD1-NH1 3.19Å; D125-R128 IonicContact OD1-NH2 3.44Å; R128-C130 VanDerWaalsContact C-N 3.34Å; R128-C130 PolarHBondContact O-N 2.81Å; R128-Y131 PolarHBondContact O-N 3.34Å; R128-R132 WeakPolarHBondContact O-CB 3.4Å; R128-R132 PolarHBondContact O-N 2.94Å; R128-V166 HydrophobicContact CB-CG1 4.2Å; R128-T170 HydrophobicContact CG-CG2 3.79Å; R128-T170 WeakPolarHBondContact CG-OG1 3.39Å
129S98.8Very high98.2Very high29 Ų2944.5 Ų44.520%0.20322%0.221CC..Hα-helixtrans-61.5-40.3177.5-165.40000112.2G98 D125 L126 L127 Y131 R132 R133G98-S129 CarbonylContact O-C 3.55Å; G98-S129 VanDerWaalsContact O-C 3.25Å; G98-S129 WeakPolarHBondContact O-CB 3.47Å; G98-S129 PolarHBondContact O-OG 2.76Å; D125-S129 WeakPolarHBondContact O-CB 3.49Å; D125-S129 PolarHBondContact O-N 2.81Å; L126-S129 WeakPolarHBondContact O-CB 3.25Å; L126-S129 PolarHBondContact O-N 2.99Å; L126-S129 VanDerWaalsContact O-N 3.16Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.45Å; S129-Y131 PolarHBondContact O-N 2.88Å; S129-R132 PolarHBondContact O-N 3.09Å; S129-R133 VanDerWaalsContact O-CB 3.24Å; S129-R133 WeakPolarHBondContact O-CB 3.31Å; S129-R133 PolarHBondContact O-N 3.2Å
130C98.9Very high98.2Very high0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-56.5-53.6175.2-61.60000112G98 T116 V117 L126 L127 R128 R133 C134 I151G98-C130 VanDerWaalsContact CA-SG 3.59Å; G98-C130 PolarHBondContact O-N 2.83Å; T116-C130 HydrophobicContact CG2-CB 4.2Å; T116-C130 VanDerWaalsContact OG1-CB 3.29Å; T116-C130 WeakPolarHBondContact OG1-CB 3.33Å; T116-C130 PolarHBondContact OG1-SG 3.46Å; V117-C130 PolarHBondContact O-SG 3.13Å; V117-C130 VanDerWaalsContact O-SG 3.34Å; L126-C130 PolarHBondContact O-N 3.01Å; L126-C130 PolarHBondContact O-SG 3.35Å; L127-C130 WeakPolarHBondContact O-CB 3.43Å; L127-C130 PolarHBondContact O-N 2.95Å; R128-C130 VanDerWaalsContact C-N 3.34Å; R128-C130 PolarHBondContact O-N 2.81Å; C130-R133 PolarHBondContact O-N 2.69Å; C130-C134 PolarHBondContact O-N 2.8Å; C130-C134 PolarHBondContact O-SG 2.99Å; C130-I151 HydrophobicContact CB-CD1 4.33Å
131Y98.9Very high98.4Very high1 Ų149.2 Ų49.20%0.00424%0.239CC..Hα-helixtrans-61.9-48.8-179.4-79-81.1000111.5L127 R128 S129 R133 C134 L135 F148 I151 A167L127-Y131 HydrophobicContact CD1-CD2 4.26Å; L127-Y131 HydrophobicContact CD1-CE2 3.8Å; L127-Y131 HydrophobicContact CG-CD2 4.28Å; L127-Y131 HydrophobicContact CG-CE2 4.04Å; L127-Y131 WeakPolarHBondContact O-CD2 3.27Å; L127-Y131 PolarHBondContact O-N 2.99Å; R128-Y131 PolarHBondContact O-N 3.34Å; S129-Y131 PolarHBondContact O-N 2.88Å; Y131-R133 PolarHBondContact O-N 3.14Å; Y131-C134 PolarHBondContact O-N 3.02Å; Y131-L135 WeakPolarHBondContact O-CG 3.27Å; Y131-L135 PolarHBondContact O-N 2.85Å; Y131-L135 VanDerWaalsContact O-N 3.09Å; Y131-F148 AromaticContact CD1-CD1 3.45Å; Y131-F148 HydrophobicContact CD1-CD1 3.45Å; Y131-F148 VanDerWaalsContact CD1-CD1 3.45Å; Y131-F148 HydrophobicContact CD1-CD2 4.49Å; Y131-F148 AromaticContact CD1-CE1 3.54Å; Y131-F148 HydrophobicContact CD1-CE1 3.54Å; Y131-F148 AromaticContact CD1-CG 3.96Å; Y131-F148 HydrophobicContact CD1-CG 3.96Å; Y131-F148 HydrophobicContact CD1-CZ 4.14Å; Y131-F148 HydrophobicContact CE1-CB 3.92Å; Y131-F148 AromaticContact CE1-CD1 3.44Å; Y131-F148 HydrophobicContact CE1-CD1 3.44Å; Y131-F148 VanDerWaalsContact CE1-CD1 3.44Å; Y131-F148 HydrophobicContact CE1-CE1 4.05Å; Y131-F148 AromaticContact CE1-CG 3.72Å; Y131-F148 HydrophobicContact CE1-CG 3.72Å; Y131-F148 HydrophobicContact CG-CE1 4.39Å; Y131-I151 HydrophobicContact CD1-CD1 4.47Å; Y131-I151 HydrophobicContact CD2-CD1 4.41Å; Y131-I151 HydrophobicContact CE1-CD1 4.08Å; Y131-I151 HydrophobicContact CE2-CB 4.44Å; Y131-I151 HydrophobicContact CE2-CD1 4.01Å; Y131-I151 HydrophobicContact CE2-CG1 4.49Å; Y131-A167 HydrophobicContact CD1-CB 4.35Å; Y131-A167 HydrophobicContact CD2-CB 4.29Å; Y131-A167 HydrophobicContact CE1-CB 3.75Å; Y131-A167 HydrophobicContact CE2-CB 3.68Å
132R98.9Very high98.6Very high118 Ų11853.1 Ų53.145%0.44526%0.263SS..Hα-helixtrans-57.9-50.2178.5179.8179.163.2-155.5-5.2111.4R128 S129 C134 L135 D136 T170R128-R132 WeakPolarHBondContact O-CB 3.4Å; R128-R132 PolarHBondContact O-N 2.94Å; S129-R132 PolarHBondContact O-N 3.09Å; R132-C134 VanDerWaalsContact C-N 3.32Å; R132-C134 PolarHBondContact O-N 3.23Å; R132-L135 PolarHBondContact O-N 3.14Å; R132-L135 VanDerWaalsContact O-N 3.13Å; R132-D136 VanDerWaalsContact O-CG 3.23Å; R132-D136 PolarHBondContact O-N 2.67Å; R132-T170 HydrophobicContact CB-CG2 4.22Å
133R98.9Very high98.7Very high69 Ų6949.2 Ų49.226%0.2625%0.245SC..Hα-helixtrans-62.6-38.8-178.3-175.967.8-169.5126.73.5112.1D99 A100 S129 C130 Y131 D136 I137 E140D99-R133 WeakPolarHBondContact OD1-CD 3.37Å; D99-R133 WeakPolarHBondContact OD1-CG 3.24Å; D99-R133 IonicContact OD1-NE 3.21Å; D99-R133 PolarHBondContact OD1-NE 2.71Å; A100-R133 HydrophobicContact CB-CB 4.34Å; A100-R133 HydrophobicContact CB-CG 3.82Å; S129-R133 VanDerWaalsContact O-CB 3.24Å; S129-R133 WeakPolarHBondContact O-CB 3.31Å; S129-R133 PolarHBondContact O-N 3.2Å; C130-R133 PolarHBondContact O-N 2.69Å; Y131-R133 PolarHBondContact O-N 3.14Å; R133-D136 PolarHBondContact O-N 3.17Å; R133-I137 HydrophobicContact CG-CD1 4.17Å; R133-I137 VanDerWaalsContact O-CG1 3.29Å; R133-I137 WeakPolarHBondContact O-CG1 3.36Å; R133-I137 PolarHBondContact O-N 2.84Å; R133-E140 IonicContact CZ-OE1 2.69Å; R133-E140 IonicContact CZ-OE2 2.67Å; R133-E140 IonicContact NH1-OE1 2.88Å; R133-E140 PolarHBondContact NH1-OE1 3.05Å; R133-E140 IonicContact NH1-OE2 3.33Å; R133-E140 PolarHBondContact NH1-OE2 3.38Å; R133-E140 IonicContact NH2-OE2 3.54Å; R133-E140 PolarHBondContact NH2-OE2 2.76Å
134C98.9Very high98.7Very high0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-62.8-41.8175.2-67.20000112.2V60 I114 C130 Y131 R132 I137 C138 F148V60-C134 HydrophobicContact CG2-CB 4.13Å; I114-C134 HydrophobicContact CG2-CB 4.06Å; C130-C134 PolarHBondContact O-N 2.8Å; C130-C134 PolarHBondContact O-SG 2.99Å; Y131-C134 PolarHBondContact O-N 3.02Å; R132-C134 VanDerWaalsContact C-N 3.32Å; R132-C134 PolarHBondContact O-N 3.23Å; C134-I137 PolarHBondContact O-N 3.4Å; C134-C138 PolarHBondContact O-N 2.92Å; C134-C138 VanDerWaalsContact O-N 3.08Å; C134-C138 PolarHBondContact O-SG 3.29Å; C134-F148 HydrophobicContact CB-CE1 3.5Å; C134-F148 VanDerWaalsContact CB-CE1 3.5Å; C134-F148 HydrophobicContact CB-CZ 3.68Å
135L98.9Very high98.8Very high0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-67.2-40.4176.7-65166.3000111.6Y131 R132 C138 K139 V146 F148 V171 W174 L184 I187Y131-L135 WeakPolarHBondContact O-CG 3.27Å; Y131-L135 PolarHBondContact O-N 2.85Å; Y131-L135 VanDerWaalsContact O-N 3.09Å; R132-L135 PolarHBondContact O-N 3.14Å; R132-L135 VanDerWaalsContact O-N 3.13Å; L135-C138 WeakPolarHBondContact O-CB 3.18Å; L135-C138 PolarHBondContact O-N 2.96Å; L135-K139 PolarHBondContact O-N 3.02Å; L135-V146 HydrophobicContact CD2-CG1 4.14Å; L135-F148 HydrophobicContact CD2-CE2 3.9Å; L135-F148 HydrophobicContact CD2-CZ 3.98Å; L135-F148 HydrophobicContact CG-CE2 4.38Å; L135-F148 HydrophobicContact CG-CZ 3.99Å; L135-V171 HydrophobicContact CD1-CG2 4.21Å; L135-W174 HydrophobicContact CB-CD2 3.66Å; L135-W174 VanDerWaalsContact CB-CE2 3.43Å; L135-W174 HydrophobicContact CB-CE3 4.2Å; L135-W174 HydrophobicContact CB-CG 4.01Å; L135-W174 HydrophobicContact CB-CH2 4.34Å; L135-W174 HydrophobicContact CB-CZ2 3.8Å; L135-W174 HydrophobicContact CD1-CB 3.77Å; L135-W174 HydrophobicContact CD1-CD2 3.77Å; L135-W174 HydrophobicContact CD1-CE3 4.1Å; L135-W174 HydrophobicContact CD1-CG 3.61Å; L135-W174 HydrophobicContact CD2-CE3 4.42Å; L135-W174 HydrophobicContact CG-CD2 4.22Å; L135-W174 HydrophobicContact CG-CE3 4.48Å; L135-W174 HydrophobicContact CG-CG 4.43Å; L135-W174 WeakPolarHBondContact O-CZ2 3.39Å; L135-L184 HydrophobicContact CD2-CD1 3.57Å; L135-I187 HydrophobicContact CD2-CD1 3.72Å; L135-I187 HydrophobicContact CD2-CG1 4.16Å
136D98.8Very high98.8Very high44 Ų4442 Ų4224%0.23520%0.201CC..Hα-helixtrans-60.9-45.6174.8-65.3-22.4000111R132 R133 C138 K139 E140 W174R132-D136 VanDerWaalsContact O-CG 3.23Å; R132-D136 PolarHBondContact O-N 2.67Å; R133-D136 PolarHBondContact O-N 3.17Å; D136-C138 VanDerWaalsContact C-N 3.28Å; D136-C138 PolarHBondContact O-N 2.96Å; D136-K139 PolarHBondContact O-N 2.61Å; D136-K139 VanDerWaalsContact O-N 3.1Å; D136-E140 WeakPolarHBondContact O-CB 3.27Å; D136-E140 VanDerWaalsContact O-CG 3.25Å; D136-E140 WeakPolarHBondContact O-CG 3.44Å; D136-E140 PolarHBondContact O-N 3.26Å; D136-W174 PolarHBondContact OD1-NE1 3.2Å
137I98.9Very high98.8Very high4 Ų439.1 Ų39.12%0.02119%0.186CC..Hα-helixtrans-58.5-40.3174.6-73.5170.5000111.3A100 I102 I114 R133 C134 E140 N141A100-I137 HydrophobicContact CB-CD1 3.71Å; A100-I137 WeakPolarHBondContact O-CD1 3.44Å; I102-I137 HydrophobicContact CB-CG2 3.89Å; I102-I137 HydrophobicContact CD1-CG2 3.85Å; I102-I137 HydrophobicContact CG1-CG2 4.37Å; I102-I137 HydrophobicContact CG2-CG2 4.31Å; I114-I137 HydrophobicContact CD1-CB 4.24Å; I114-I137 HydrophobicContact CD1-CG2 3.7Å; I114-I137 HydrophobicContact CG1-CG2 3.93Å; I114-I137 HydrophobicContact CG2-CD1 3.99Å; I114-I137 HydrophobicContact CG2-CG2 4.4Å; R133-I137 HydrophobicContact CG-CD1 4.17Å; R133-I137 VanDerWaalsContact O-CG1 3.29Å; R133-I137 WeakPolarHBondContact O-CG1 3.36Å; R133-I137 PolarHBondContact O-N 2.84Å; C134-I137 PolarHBondContact O-N 3.4Å; I137-E140 PolarHBondContact O-N 3.09Å; I137-N141 WeakPolarHBondContact O-CB 3.44Å; I137-N141 PolarHBondContact O-N 2.9Å; I137-N141 PolarHBondContact O-ND2 3.28Å
138C98.9Very high98.8Very high0 Ų039.2 Ų39.20%019%0.186CC..Hα-helixtrans-60.5-47.5175.6-65.30000110.9I114 C134 L135 D136 N141 S142 L143 L184I114-C138 WeakPolarHBondContact CD1-SG 3.32Å; C134-C138 PolarHBondContact O-N 2.92Å; C134-C138 VanDerWaalsContact O-N 3.08Å; C134-C138 PolarHBondContact O-SG 3.29Å; L135-C138 WeakPolarHBondContact O-CB 3.18Å; L135-C138 PolarHBondContact O-N 2.96Å; D136-C138 VanDerWaalsContact C-N 3.28Å; D136-C138 PolarHBondContact O-N 2.96Å; C138-N141 CarbonylContact O-C 3.57Å; C138-N141 PolarHBondContact O-N 3.31Å; C138-S142 PolarHBondContact O-N 3.4Å; C138-L143 HydrophobicContact CB-CB 4.1Å; C138-L143 PolarHBondContact O-N 3.45Å; C138-L184 HydrophobicContact CB-CD2 3.94Å
139K98.6Very high98.8Very high73 Ų7336.8 Ų36.832%0.31718%0.178SC..Hα-helixtrans-62.6-47178-173.7176.2-175.3-179.20112L135 D136 N141 S142 W174 D179 N180 A183L135-K139 PolarHBondContact O-N 3.02Å; D136-K139 PolarHBondContact O-N 2.61Å; D136-K139 VanDerWaalsContact O-N 3.1Å; K139-N141 PolarHBondContact O-N 3.38Å; K139-S142 PolarHBondContact O-N 3.46Å; K139-S142 VanDerWaalsContact O-N 3.15Å; K139-W174 HydrophobicContact CB-CZ2 4.15Å; K139-W174 HydrophobicContact CD-CZ2 4.31Å; K139-D179 IonicContact NZ-OD1 3.37Å; K139-D179 PolarHBondContact NZ-OD1 2.99Å; K139-N180 WeakPolarHBondContact CD-OD1 3.47Å; K139-N180 PolarHBondContact NZ-OD1 2.84Å; K139-A183 HydrophobicContact CB-CB 4.35Å; K139-A183 HydrophobicContact CD-CB 4.16Å; K139-A183 HydrophobicContact CG-CB 3.92Å
140E98.6Very high98.7Very high116 Ų11636.5 Ų36.554%0.54218%0.176SC..Hα-helixtrans-57-35.8177.8-73.4165-166.900112.3R133 D136 I137R133-E140 IonicContact CZ-OE1 2.69Å; R133-E140 IonicContact CZ-OE2 2.67Å; R133-E140 IonicContact NH1-OE1 2.88Å; R133-E140 PolarHBondContact NH1-OE1 3.05Å; R133-E140 IonicContact NH1-OE2 3.33Å; R133-E140 PolarHBondContact NH1-OE2 3.38Å; R133-E140 IonicContact NH2-OE2 3.54Å; R133-E140 PolarHBondContact NH2-OE2 2.76Å; D136-E140 WeakPolarHBondContact O-CB 3.27Å; D136-E140 VanDerWaalsContact O-CG 3.25Å; D136-E140 WeakPolarHBondContact O-CG 3.44Å; D136-E140 PolarHBondContact O-N 3.26Å; I137-E140 PolarHBondContact O-N 3.09Å
141N98.6Very high98.6Very high75 Ų7536.5 Ų36.540%0.40118%0.176SC..THydrogen-bonded Turntrans-100.310.8-177.8-67.5-90.1000113.2I102 I137 C138 K139 L143I102-N141 HydrophobicContact CD1-CB 4.42Å; I137-N141 WeakPolarHBondContact O-CB 3.44Å; I137-N141 PolarHBondContact O-N 2.9Å; I137-N141 PolarHBondContact O-ND2 3.28Å; C138-N141 CarbonylContact O-C 3.57Å; C138-N141 PolarHBondContact O-N 3.31Å; K139-N141 PolarHBondContact O-N 3.38Å; N141-L143 HydrophobicContact CB-CD1 4.19Å; N141-L143 HydrophobicContact CB-CD2 4.22Å; N141-L143 HydrophobicContact CB-CG 3.82Å; N141-L143 WeakPolarHBondContact O-CD2 3.29Å; N141-L143 PolarHBondContact O-N 3.4Å
142S98.3Very high98.4Very high105 Ų10536.8 Ų36.873%0.73418%0.178SC*.THydrogen-bonded Turntrans53.333-177.8-57.40000114.1C138 K139C138-S142 PolarHBondContact O-N 3.4Å; K139-S142 PolarHBondContact O-N 3.46Å; K139-S142 VanDerWaalsContact O-N 3.15Å
143L98.7Very high98.1Very high10 Ų1032.3 Ų32.35%0.05216%0.164CC..  trans-82.8129.6174.4-49.5-175.9000108.4D57 A58 I102 H112 C138 N141 L184D57-L143 HydrophobicContact CB-CB 3.81Å; D57-L143 HydrophobicContact CB-CD2 4.22Å; D57-L143 HydrophobicContact CB-CG 4.46Å; A58-L143 HydrophobicContact CB-CD1 3.87Å; I102-L143 HydrophobicContact CD1-CD1 3.82Å; H112-L143 HydrophobicContact CB-CD1 4.28Å; C138-L143 HydrophobicContact CB-CB 4.1Å; C138-L143 PolarHBondContact O-N 3.45Å; N141-L143 HydrophobicContact CB-CD1 4.19Å; N141-L143 HydrophobicContact CB-CD2 4.22Å; N141-L143 HydrophobicContact CB-CG 3.82Å; N141-L143 WeakPolarHBondContact O-CD2 3.29Å; N141-L143 PolarHBondContact O-N 3.4Å; L143-L184 VanDerWaalsContact O-CD2 3.23Å; L143-L184 WeakPolarHBondContact O-CD2 3.48Å
144R98.7Very high97.6Very high112 Ų11231.5 Ų31.542%0.42318%0.177SC..  trans-100.7-11.2-171.9-57.8-175.462.876.13.3112.7D57 L184 D185 R186D57-R144 WeakPolarHBondContact OD2-CA 3.29Å; D57-R144 WeakPolarHBondContact OD2-CB 2.91Å; D57-R144 PolarHBondContact OD2-N 2.93Å; R144-L184 CarbonylContact O-C 3.52Å; R144-D185 HydrophobicContact CB-CB 4.46Å; R144-D185 IonicContact CZ-OD1 2.63Å; R144-D185 IonicContact CZ-OD2 2.82Å; R144-D185 IonicContact NE-OD1 3.75Å; R144-D185 IonicContact NE-OD2 3.18Å; R144-D185 PolarHBondContact NE-OD2 3.16Å; R144-D185 IonicContact NH2-OD1 3.89Å; R144-D185 PolarHBondContact NH2-OD1 3.38Å; R144-D185 IonicContact NH2-OD2 2.78Å; R144-D185 PolarHBondContact NH2-OD2 3.49Å; R144-D185 WeakPolarHBondContact O-CA 3.26Å; R144-D185 PolarHBondContact O-N 2.93Å; R144-R186 PolarHBondContact O-N 3.4Å; R144-R186 VanDerWaalsContact O-N 3.14Å
145S98.9Very high97Very high5 Ų537.5 Ų37.54%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-141.3133.3-179.251.10000112.7D57 A58 R186D57-S145 WeakPolarHBondContact CB-O 3.38Å; D57-S145 PolarHBondContact N-O 3.16Å; D57-S145 PolarHBondContact N-OG 2.9Å; D57-S145 PolarHBondContact OD2-N 3.13Å; D57-S145 PolarHBondContact OD2-OG 2.71Å; A58-S145 PolarHBondContact N-O 2.92Å; S145-R186 CarbonylContact C-O 3.6Å; S145-R186 VanDerWaalsContact CA-O 3.29Å; S145-R186 WeakPolarHBondContact CA-O 3.48Å
146V98.9Very high96.6Very high0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-138.3140.9-18063.10000112.1A58 V60 L135 F148 L184 R186 I187 I188A58-V146 HydrophobicContact CB-CG2 4.22Å; A58-V146 CarbonylContact O-C 3.59Å; A58-V146 VanDerWaalsContact O-CA 3.23Å; A58-V146 WeakPolarHBondContact O-CA 3.35Å; V60-V146 HydrophobicContact CG2-CG2 3.76Å; L135-V146 HydrophobicContact CD2-CG1 4.14Å; V146-F148 HydrophobicContact CB-CE2 4.49Å; V146-F148 HydrophobicContact CG1-CD2 4.38Å; V146-F148 HydrophobicContact CG1-CE2 3.68Å; V146-F148 HydrophobicContact CG1-CZ 4.44Å; V146-F148 HydrophobicContact CG2-CD2 4.42Å; V146-F148 HydrophobicContact CG2-CE2 3.98Å; V146-F148 HydrophobicContact CG2-CZ 4.29Å; V146-L184 HydrophobicContact CG1-CD1 4.34Å; V146-L184 HydrophobicContact CG1-CD2 4.39Å; V146-R186 PolarHBondContact N-O 2.91Å; V146-I187 HydrophobicContact CG1-CG1 4.13Å; V146-I187 CarbonylContact O-C 3.59Å; V146-I187 WeakPolarHBondContact O-CA 3.37Å; V146-I188 PolarHBondContact O-N 3.38Å
147A98.9Very high96.3Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-114.6133.3170.100000112.2I51 L54 I56 A58 I59 V60 I188 C190I51-A147 HydrophobicContact CD1-CB 4.08Å; I51-A147 HydrophobicContact CG1-CB 4.1Å; L54-A147 HydrophobicContact CD1-CB 3.46Å; L54-A147 VanDerWaalsContact CD1-CB 3.46Å; I56-A147 HydrophobicContact CD1-CB 3.52Å; A58-A147 PolarHBondContact O-N 3.31Å; I59-A147 HydrophobicContact CG2-CB 4.27Å; V60-A147 WeakPolarHBondContact CB-O 3.36Å; V60-A147 PolarHBondContact N-O 3.15Å; A147-I188 CarbonylContact C-O 3.32Å; A147-I188 VanDerWaalsContact CA-O 3.28Å; A147-I188 WeakPolarHBondContact CA-O 3.35Å; A147-I188 HydrophobicContact CB-CB 3.86Å; A147-I188 HydrophobicContact CB-CD1 4.38Å; A147-I188 HydrophobicContact CB-CG2 4.35Å; A147-C190 HydrophobicContact CB-CB 4.44Å
148F98.9Very high96.2Very high1 Ų145 Ų450%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-106.4130.7176.5-70.9-90.2000110.7V60 Y131 C134 L135 V146 I151 I187 I188 C190V60-F148 HydrophobicContact CB-CD1 4.02Å; V60-F148 HydrophobicContact CB-CE1 4.42Å; V60-F148 HydrophobicContact CG1-CD1 4.15Å; V60-F148 HydrophobicContact CG1-CE1 4.44Å; V60-F148 HydrophobicContact CG2-CD1 3.64Å; V60-F148 HydrophobicContact CG2-CE1 3.63Å; V60-F148 HydrophobicContact CG2-CG 4.18Å; V60-F148 HydrophobicContact CG2-CZ 4.14Å; Y131-F148 AromaticContact CD1-CD1 3.45Å; Y131-F148 HydrophobicContact CD1-CD1 3.45Å; Y131-F148 VanDerWaalsContact CD1-CD1 3.45Å; Y131-F148 HydrophobicContact CD1-CD2 4.49Å; Y131-F148 AromaticContact CD1-CE1 3.54Å; Y131-F148 HydrophobicContact CD1-CE1 3.54Å; Y131-F148 AromaticContact CD1-CG 3.96Å; Y131-F148 HydrophobicContact CD1-CG 3.96Å; Y131-F148 HydrophobicContact CD1-CZ 4.14Å; Y131-F148 HydrophobicContact CE1-CB 3.92Å; Y131-F148 AromaticContact CE1-CD1 3.44Å; Y131-F148 HydrophobicContact CE1-CD1 3.44Å; Y131-F148 VanDerWaalsContact CE1-CD1 3.44Å; Y131-F148 HydrophobicContact CE1-CE1 4.05Å; Y131-F148 AromaticContact CE1-CG 3.72Å; Y131-F148 HydrophobicContact CE1-CG 3.72Å; Y131-F148 HydrophobicContact CG-CE1 4.39Å; C134-F148 HydrophobicContact CB-CE1 3.5Å; C134-F148 VanDerWaalsContact CB-CE1 3.5Å; C134-F148 HydrophobicContact CB-CZ 3.68Å; L135-F148 HydrophobicContact CD2-CE2 3.9Å; L135-F148 HydrophobicContact CD2-CZ 3.98Å; L135-F148 HydrophobicContact CG-CE2 4.38Å; L135-F148 HydrophobicContact CG-CZ 3.99Å; V146-F148 HydrophobicContact CB-CE2 4.49Å; V146-F148 HydrophobicContact CG1-CD2 4.38Å; V146-F148 HydrophobicContact CG1-CE2 3.68Å; V146-F148 HydrophobicContact CG1-CZ 4.44Å; V146-F148 HydrophobicContact CG2-CD2 4.42Å; V146-F148 HydrophobicContact CG2-CE2 3.98Å; V146-F148 HydrophobicContact CG2-CZ 4.29Å; F148-I151 HydrophobicContact CD1-CD1 4.13Å; F148-I187 HydrophobicContact CD2-CG2 3.98Å; F148-I187 HydrophobicContact CE2-CG2 4Å; F148-I188 PolarHBondContact N-O 2.8Å; F148-C190 WeakPolarHBondContact O-CA 3.37Å; F148-C190 WeakPolarHBondContact O-CB 3.49Å; F148-C190 PolarHBondContact O-N 2.93Å
149P98.3Very high96.1Very high10 Ų1047.7 Ų47.77%0.06526%0.262CS..  trans-75173.7160.535-33.3000110I51 V60 A62 V73 I151I51-P149 HydrophobicContact CD1-CB 4.31Å; I51-P149 HydrophobicContact CD1-CG 4.41Å; V60-P149 WeakPolarHBondContact O-CD 3.39Å; V60-P149 WeakPolarHBondContact O-CG 3.28Å; A62-P149 HydrophobicContact CB-CG 4.24Å; V73-P149 HydrophobicContact CG1-CB 4.38Å; V73-P149 HydrophobicContact CG1-CG 4.33Å; V73-P149 HydrophobicContact CG2-CB 4.17Å; V73-P149 HydrophobicContact CG2-CG 4.44Å; P149-I151 HydrophobicContact CG-CG1 4.48Å; P149-I151 PolarHBondContact O-N 3Å
150C97Very high96Very high23 Ų2345.8 Ų45.816%0.15526%0.255CS..  trans-7099.1167.1-58.70000110.2T153 D196C150-T153 HydrophobicContact CB-CG2 4.08Å; C150-T153 WeakPolarHBondContact CB-OG1 3.26Å; C150-T153 PolarHBondContact O-OG1 3.31Å; C150-D196 PolarHBondContact SG-OD2 3.12Å
151I96.7Very high95.9Very high0 Ų045.1 Ų45.10%025%0.248CC..THydrogen-bonded Turntrans-74.5130.9-176-55.4172.6000109.6V60 A62 T116 L127 C130 Y131 F148 P149 T153V60-I151 HydrophobicContact CG1-CD1 4.25Å; A62-I151 HydrophobicContact CB-CG2 4.44Å; T116-I151 HydrophobicContact CG2-CD1 3.76Å; L127-I151 HydrophobicContact CD1-CB 3.91Å; L127-I151 HydrophobicContact CD1-CG2 3.9Å; C130-I151 HydrophobicContact CB-CD1 4.33Å; Y131-I151 HydrophobicContact CD1-CD1 4.47Å; Y131-I151 HydrophobicContact CD2-CD1 4.41Å; Y131-I151 HydrophobicContact CE1-CD1 4.08Å; Y131-I151 HydrophobicContact CE2-CB 4.44Å; Y131-I151 HydrophobicContact CE2-CD1 4.01Å; Y131-I151 HydrophobicContact CE2-CG1 4.49Å; F148-I151 HydrophobicContact CD1-CD1 4.13Å; P149-I151 HydrophobicContact CG-CG1 4.48Å; P149-I151 PolarHBondContact O-N 3Å; I151-T153 VanDerWaalsContact C-N 3.26Å; I151-T153 PolarHBondContact O-N 3.36Å
152S95Very high95.9Very high7 Ų745.8 Ų45.85%0.04925%0.247CC..THydrogen-bonded Turntrans69.7-0.2176.9-40.50000117.5G118 P119 Y156 H157 Y158G118-S152 VanDerWaalsContact CA-OG 3.26Å; G118-S152 WeakPolarHBondContact CA-OG 3.41Å; P119-S152 WeakPolarHBondContact CD-OG 3.47Å; P119-S152 WeakPolarHBondContact O-CB 3.45Å; P119-S152 PolarHBondContact O-OG 2.82Å; S152-Y156 CarbonylContact O-C 3.55Å; S152-Y156 VanDerWaalsContact O-C 3.32Å; S152-Y156 WeakPolarHBondContact O-CB 3.49Å; S152-H157 PolarHBondContact O-N 2.67Å; S152-Y158 VanDerWaalsContact O-CB 3.24Å; S152-Y158 WeakPolarHBondContact O-CB 3.42Å; S152-Y158 PolarHBondContact O-N 2.71Å
153T91.6Very high95.9Very high25 Ų2541 Ų4115%0.15321%0.213CC..SBendtrans-80.7-14.9-17659.60000114.7C150 I151 Y158 A163C150-T153 HydrophobicContact CB-CG2 4.08Å; C150-T153 WeakPolarHBondContact CB-OG1 3.26Å; C150-T153 PolarHBondContact O-OG1 3.31Å; I151-T153 VanDerWaalsContact C-N 3.26Å; I151-T153 PolarHBondContact O-N 3.36Å; T153-Y158 WeakPolarHBondContact CA-O 3.23Å; T153-A163 HydrophobicContact CG2-CB 3.44Å; T153-A163 VanDerWaalsContact CG2-CB 3.44Å
154G88.6Confident95.9Very high51 Ų5140.6 Ų40.653%0.52621%0.211SC..SBendtrans-85.7-115.9175.400000112.7Y156 H157G154-Y156 PolarHBondContact O-N 2.94Å; G154-H157 PolarHBondContact O-N 2.8Å
155V87Confident95.9Very high126 Ų12638.4 Ų38.476%0.76421%0.206SC*.THydrogen-bonded Turntrans-57.5-21.4-177.5-179.50000113.5H157V155-H157 PolarHBondContact O-CD2 2.89Å; V155-H157 VanDerWaalsContact O-CD2 3.24Å; V155-H157 PolarHBondContact O-NE2 2.81Å
156Y91.5Very high95.9Very high58 Ų5838.7 Ų38.723%0.22721%0.208CC..THydrogen-bonded Turntrans-90.10.4179.6-70.92.1000113.5G118 V120 G121 S152 G154 Y158G118-Y156 WeakPolarHBondContact O-CD2 3.18Å; G118-Y156 VanDerWaalsContact O-CE2 3.3Å; G118-Y156 WeakPolarHBondContact O-CE2 3.45Å; V120-Y156 HydrophobicContact CG2-CD1 4.02Å; V120-Y156 HydrophobicContact CG2-CD2 4.33Å; V120-Y156 HydrophobicContact CG2-CE1 4.19Å; V120-Y156 HydrophobicContact CG2-CE2 4.49Å; V120-Y156 HydrophobicContact CG2-CG 4.1Å; G121-Y156 PolarHBondContact N-O 3.09Å; S152-Y156 CarbonylContact O-C 3.55Å; S152-Y156 VanDerWaalsContact O-C 3.32Å; S152-Y156 WeakPolarHBondContact O-CB 3.49Å; G154-Y156 PolarHBondContact O-N 2.94Å; Y156-Y158 PolarHBondContact O-N 2.76Å; Y156-Y158 VanDerWaalsContact O-N 3.14Å
157H92.2Very high95.9Very high147 Ų14738.7 Ų38.768%0.68121%0.208SC*.  trans56.330.1167.7-57.2-60.7000115.4S152 G154 V155S152-H157 PolarHBondContact O-N 2.67Å; G154-H157 PolarHBondContact O-N 2.8Å; V155-H157 PolarHBondContact O-CD2 2.89Å; V155-H157 VanDerWaalsContact O-CD2 3.24Å; V155-H157 PolarHBondContact O-NE2 2.81Å
158Y96.7Very high95.9Very high2 Ų238.7 Ų38.71%0.00821%0.208CC..  trans-73.9125.6168.9-154.6-60.6000109.1P119 G121 E122 P124 L127 S152 T153 Y156 N160 K162 A163P119-Y158 HydrophobicContact CG-CD2 4.2Å; P119-Y158 HydrophobicContact CG-CE2 4.28Å; G121-Y158 VanDerWaalsContact O-CD2 3.27Å; G121-Y158 WeakPolarHBondContact O-CD2 3.11Å; E122-Y158 HydrophobicContact CG-CE1 4.05Å; E122-Y158 HydrophobicContact CG-CE2 4.41Å; P124-Y158 VanDerWaalsContact CA-OH 3.31Å; P124-Y158 WeakPolarHBondContact CA-OH 3.29Å; P124-Y158 WeakPolarHBondContact CG-OH 3.42Å; L127-Y158 HydrophobicContact CB-CE2 3.91Å; L127-Y158 HydrophobicContact CD2-CD1 4.28Å; L127-Y158 HydrophobicContact CD2-CD2 3.9Å; L127-Y158 HydrophobicContact CD2-CE1 3.97Å; L127-Y158 HydrophobicContact CD2-CE2 3.52Å; L127-Y158 HydrophobicContact CD2-CG 4.26Å; L127-Y158 HydrophobicContact CG-CE2 4.31Å; S152-Y158 VanDerWaalsContact O-CB 3.24Å; S152-Y158 WeakPolarHBondContact O-CB 3.42Å; S152-Y158 PolarHBondContact O-N 2.71Å; T153-Y158 WeakPolarHBondContact CA-O 3.23Å; Y156-Y158 PolarHBondContact O-N 2.76Å; Y156-Y158 VanDerWaalsContact O-N 3.14Å; Y158-N160 PolarHBondContact O-N 2.68Å; Y158-K162 HydrophobicContact CD1-CB 4.49Å; Y158-K162 HydrophobicContact CE1-CB 3.85Å; Y158-A163 HydrophobicContact CD1-CB 3.61Å; Y158-A163 HydrophobicContact CE1-CB 4.05Å; Y158-A163 HydrophobicContact CG-CB 4.25Å
159P96.7Very high95.9Very high55 Ų5542.2 Ų42.236%0.35722%0.224SC..  trans-57.9127.3-179.8-24.934.1000112.7R161 K162 A163P159-R161 PolarHBondContact O-N 2.64Å; P159-K162 HydrophobicContact CB-CB 4.35Å; P159-K162 HydrophobicContact CB-CD 4.37Å; P159-K162 HydrophobicContact CB-CG 4.35Å; P159-K162 HydrophobicContact CG-CD 4.39Å; P159-K162 PolarHBondContact O-N 3.14Å; P159-K162 VanDerWaalsContact O-N 3.12Å; P159-A163 PolarHBondContact O-N 3.37Å
160N96.3Very high95.9Very high33 Ų3342 Ų4218%0.17622%0.222CC..Hα-helixtrans-53.2-50.2-170.7-63.464.1000113.6Y158 K162 A163 C164 D196 L199Y158-N160 PolarHBondContact O-N 2.68Å; N160-K162 PolarHBondContact O-N 2.72Å; N160-A163 PolarHBondContact O-N 2.94Å; N160-C164 WeakPolarHBondContact O-CB 3.23Å; N160-C164 PolarHBondContact O-N 3.47Å; N160-D196 PolarHBondContact ND2-OD1 3.3Å; N160-L199 HydrophobicContact CB-CD1 3.74Å
161R97.5Very high96Very high103 Ų10340.9 Ų40.939%0.38922%0.215SC..Hα-helixtrans-58.3-47.8178.4179.3172.3-69.6-86.90.2112P159 A163 C164 E165 L199 E202 L203P159-R161 PolarHBondContact O-N 2.64Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 2.91Å; R161-C164 WeakPolarHBondContact O-CB 3.36Å; R161-C164 PolarHBondContact O-N 2.89Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.19Å; R161-L199 HydrophobicContact CB-CD1 4.33Å; R161-L199 HydrophobicContact CB-CD2 3.95Å; R161-L199 HydrophobicContact CG-CD2 4.15Å; R161-L199 VanDerWaalsContact CZ-CD2 3.41Å; R161-L199 VanDerWaalsContact NH2-CD2 3.3Å; R161-E202 IonicContact CZ-OE1 2.69Å; R161-E202 IonicContact CZ-OE2 3.43Å; R161-E202 IonicContact NH1-OE1 2.86Å; R161-E202 PolarHBondContact NH1-OE1 3.12Å; R161-E202 IonicContact NH1-OE2 3.76Å; R161-E202 PolarHBondContact NH1-OE2 3.3Å; R161-E202 IonicContact NH2-OE1 3.74Å; R161-E202 IonicContact NH2-OE2 3.94Å; R161-E202 PolarHBondContact NH2-OE2 2.9Å; R161-L203 HydrophobicContact CG-CD1 4.49Å
162K98.2Very high96Very high89 Ų8943.4 Ų43.439%0.38723%0.226SC..Hα-helixtrans-66.7-36.2-179.9-64.1-171.8177.9-176.60112E122 Y158 P159 N160 V166E122-K162 HydrophobicContact CG-CD 4.38Å; E122-K162 WeakPolarHBondContact OE1-CD 3.13Å; E122-K162 WeakPolarHBondContact OE1-CE 3.48Å; E122-K162 IonicContact OE1-NZ 2.77Å; E122-K162 PolarHBondContact OE1-NZ 3.48Å; E122-K162 VanDerWaalsContact OE2-CD 3.26Å; E122-K162 WeakPolarHBondContact OE2-CD 3.28Å; E122-K162 IonicContact OE2-NZ 3.18Å; E122-K162 PolarHBondContact OE2-NZ 3.48Å; Y158-K162 HydrophobicContact CD1-CB 4.49Å; Y158-K162 HydrophobicContact CE1-CB 3.85Å; P159-K162 HydrophobicContact CB-CB 4.35Å; P159-K162 HydrophobicContact CB-CD 4.37Å; P159-K162 HydrophobicContact CB-CG 4.35Å; P159-K162 HydrophobicContact CG-CD 4.39Å; P159-K162 PolarHBondContact O-N 3.14Å; P159-K162 VanDerWaalsContact O-N 3.12Å; N160-K162 PolarHBondContact O-N 2.72Å; K162-V166 WeakPolarHBondContact O-CG2 3.43Å; K162-V166 PolarHBondContact O-N 3.42Å
163A98.3Very high96.2Very high3 Ų347 Ų473%0.02524%0.242CC..Hα-helixtrans-65.3-43.2174.300000111.4L127 T153 Y158 P159 N160 R161 V166 A167L127-A163 HydrophobicContact CD2-CB 4.01Å; T153-A163 HydrophobicContact CG2-CB 3.44Å; T153-A163 VanDerWaalsContact CG2-CB 3.44Å; Y158-A163 HydrophobicContact CD1-CB 3.61Å; Y158-A163 HydrophobicContact CE1-CB 4.05Å; Y158-A163 HydrophobicContact CG-CB 4.25Å; P159-A163 PolarHBondContact O-N 3.37Å; N160-A163 PolarHBondContact O-N 2.94Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 2.91Å; A163-V166 PolarHBondContact O-N 2.88Å; A163-A167 WeakPolarHBondContact O-CB 3.43Å; A163-A167 PolarHBondContact O-N 3.46Å
164C98.4Very high96.5Very high2 Ų246.4 Ų46.41%0.01424%0.237CC..Hα-helixtrans-59.5-47.5174.9-175.70000111.1N160 R161 V166 A167 L168 L199 Y200 L203N160-C164 WeakPolarHBondContact O-CB 3.23Å; N160-C164 PolarHBondContact O-N 3.47Å; R161-C164 WeakPolarHBondContact O-CB 3.36Å; R161-C164 PolarHBondContact O-N 2.89Å; C164-V166 PolarHBondContact O-N 3.27Å; C164-A167 WeakPolarHBondContact O-CB 3.3Å; C164-A167 PolarHBondContact O-N 3.43Å; C164-L168 WeakPolarHBondContact O-CB 3.3Å; C164-L168 VanDerWaalsContact O-CG 3.3Å; C164-L168 WeakPolarHBondContact O-CG 3.48Å; C164-L168 PolarHBondContact O-N 2.78Å; C164-L199 HydrophobicContact CB-CB 4.5Å; C164-Y200 HydrophobicContact CB-CE2 4.36Å; C164-L203 HydrophobicContact CB-CD1 4.24Å
165E98.6Very high97Very high67 Ų6744.1 Ų44.131%0.31321%0.213SC..Hα-helixtrans-58.1-45.9176-72.5170.8162.400112.2R161 L168 Q169 L203 Y207R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.19Å; E165-L168 PolarHBondContact O-N 3.35Å; E165-Q169 VanDerWaalsContact O-CB 3.23Å; E165-Q169 WeakPolarHBondContact O-CB 3.27Å; E165-Q169 PolarHBondContact O-N 3.05Å; E165-L203 HydrophobicContact CG-CD1 3.85Å; E165-Y207 WeakPolarHBondContact CB-OH 3.18Å; E165-Y207 HydrophobicContact CG-CE2 4.41Å
166V98.7Very high97.4Very high11 Ų1142.8 Ų42.87%0.06720%0.198CC..Hα-helixtrans-61.7-45.1175.4171.20000111.1P124 L127 R128 K162 A163 C164 T170P124-V166 HydrophobicContact CB-CG2 4.16Å; L127-V166 HydrophobicContact CB-CG1 4.04Å; L127-V166 HydrophobicContact CD2-CB 3.95Å; L127-V166 HydrophobicContact CD2-CG1 3.87Å; L127-V166 HydrophobicContact CD2-CG2 4.48Å; L127-V166 HydrophobicContact CG-CB 4.43Å; L127-V166 HydrophobicContact CG-CG1 3.8Å; R128-V166 HydrophobicContact CB-CG1 4.2Å; K162-V166 WeakPolarHBondContact O-CG2 3.43Å; K162-V166 PolarHBondContact O-N 3.42Å; A163-V166 PolarHBondContact O-N 2.88Å; C164-V166 PolarHBondContact O-N 3.27Å; V166-T170 VanDerWaalsContact O-CB 3.23Å; V166-T170 WeakPolarHBondContact O-CB 3.26Å; V166-T170 PolarHBondContact O-N 3.26Å; V166-T170 PolarHBondContact O-OG1 3.25Å
167A98.8Very high97.7Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-58.9-50.8178.900000111.3Y131 A163 C164 T170 V171 F189Y131-A167 HydrophobicContact CD1-CB 4.35Å; Y131-A167 HydrophobicContact CD2-CB 4.29Å; Y131-A167 HydrophobicContact CE1-CB 3.75Å; Y131-A167 HydrophobicContact CE2-CB 3.68Å; A163-A167 WeakPolarHBondContact O-CB 3.43Å; A163-A167 PolarHBondContact O-N 3.46Å; C164-A167 WeakPolarHBondContact O-CB 3.3Å; C164-A167 PolarHBondContact O-N 3.43Å; A167-T170 PolarHBondContact O-N 3.42Å; A167-V171 WeakPolarHBondContact O-CB 3.3Å; A167-V171 VanDerWaalsContact O-CG2 3.3Å; A167-V171 WeakPolarHBondContact O-CG2 3.43Å; A167-V171 PolarHBondContact O-N 3.34Å; A167-F189 HydrophobicContact CB-CE1 4.3Å
168L98.7Very high97.9Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-64.7-47.2-178.7-66.7177000112.2C164 E165 T170 V171 K172 F189 Y200 L203 V204 Y207 F208C164-L168 WeakPolarHBondContact O-CB 3.3Å; C164-L168 VanDerWaalsContact O-CG 3.3Å; C164-L168 WeakPolarHBondContact O-CG 3.48Å; C164-L168 PolarHBondContact O-N 2.78Å; E165-L168 PolarHBondContact O-N 3.35Å; L168-T170 VanDerWaalsContact C-N 3.31Å; L168-T170 PolarHBondContact O-N 3.39Å; L168-V171 PolarHBondContact O-N 3.05Å; L168-K172 VanDerWaalsContact O-CB 3.3Å; L168-K172 WeakPolarHBondContact O-CB 3.5Å; L168-K172 PolarHBondContact O-N 2.98Å; L168-F189 HydrophobicContact CD2-CD2 4.47Å; L168-F189 HydrophobicContact CD2-CE1 4.41Å; L168-F189 HydrophobicContact CD2-CE2 3.79Å; L168-F189 HydrophobicContact CD2-CZ 3.76Å; L168-Y200 HydrophobicContact CD2-CD1 3.93Å; L168-Y200 HydrophobicContact CD2-CE1 3.94Å; L168-Y200 HydrophobicContact CG-CD1 4.37Å; L168-Y200 HydrophobicContact CG-CE1 4.22Å; L168-L203 HydrophobicContact CD1-CB 3.43Å; L168-L203 VanDerWaalsContact CD1-CB 3.43Å; L168-V204 HydrophobicContact CD1-CG2 4.2Å; L168-V204 HydrophobicContact CD2-CG2 3.46Å; L168-V204 VanDerWaalsContact CD2-CG2 3.46Å; L168-V204 HydrophobicContact CG-CG2 4.5Å; L168-Y207 HydrophobicContact CB-CD1 4.19Å; L168-Y207 HydrophobicContact CB-CD2 3.93Å; L168-Y207 HydrophobicContact CB-CE2 4.32Å; L168-Y207 HydrophobicContact CB-CG 3.87Å; L168-Y207 HydrophobicContact CD1-CD2 3.79Å; L168-Y207 HydrophobicContact CD1-CE2 4.2Å; L168-Y207 HydrophobicContact CD1-CG 4.44Å; L168-F208 HydrophobicContact CB-CE2 4.43Å; L168-F208 HydrophobicContact CD2-CE2 4.03Å
169Q98.6Very high97.8Very high74 Ų7444.9 Ų44.935%0.34624%0.239SC..Hα-helixtrans-60.3-43.5177.7-170.2-179.237.100111.2E165 K172 Q173 Y207E165-Q169 VanDerWaalsContact O-CB 3.23Å; E165-Q169 WeakPolarHBondContact O-CB 3.27Å; E165-Q169 PolarHBondContact O-N 3.05Å; Q169-K172 PolarHBondContact O-N 3.49Å; Q169-Q173 WeakPolarHBondContact O-CB 3.43Å; Q169-Q173 VanDerWaalsContact O-CG 3.26Å; Q169-Q173 WeakPolarHBondContact O-CG 3.24Å; Q169-Q173 PolarHBondContact O-N 3.15Å; Q169-Y207 HydrophobicContact CB-CD1 4.37Å; Q169-Y207 HydrophobicContact CB-CE1 3.81Å; Q169-Y207 HydrophobicContact CG-CE1 4.38Å
170T98.8Very high97.9Very high5 Ų542.8 Ų42.83%0.03122%0.224CC..Hα-helixtrans-67-46.9-178.8-53.50000111.5R128 R132 V166 A167 L168 K172 Q173 W174R128-T170 HydrophobicContact CG-CG2 3.79Å; R128-T170 WeakPolarHBondContact CG-OG1 3.39Å; R132-T170 HydrophobicContact CB-CG2 4.22Å; V166-T170 VanDerWaalsContact O-CB 3.23Å; V166-T170 WeakPolarHBondContact O-CB 3.26Å; V166-T170 PolarHBondContact O-N 3.26Å; V166-T170 PolarHBondContact O-OG1 3.25Å; A167-T170 PolarHBondContact O-N 3.42Å; L168-T170 VanDerWaalsContact C-N 3.31Å; L168-T170 PolarHBondContact O-N 3.39Å; T170-K172 VanDerWaalsContact C-N 3.32Å; T170-K172 PolarHBondContact O-N 2.93Å; T170-Q173 PolarHBondContact O-N 2.91Å; T170-W174 WeakPolarHBondContact O-CB 3.35Å; T170-W174 PolarHBondContact O-N 3.21Å
171V98.8Very high97.9Very high0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-61.5-43.3178168.10000110.6L44 L135 A167 L168 W174 L175 I187 F189 F208L44-V171 HydrophobicContact CD2-CG1 3.97Å; L135-V171 HydrophobicContact CD1-CG2 4.21Å; A167-V171 WeakPolarHBondContact O-CB 3.3Å; A167-V171 VanDerWaalsContact O-CG2 3.3Å; A167-V171 WeakPolarHBondContact O-CG2 3.43Å; A167-V171 PolarHBondContact O-N 3.34Å; L168-V171 PolarHBondContact O-N 3.05Å; V171-W174 PolarHBondContact O-N 3.12Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.33Å; V171-L175 WeakPolarHBondContact O-CB 3.34Å; V171-L175 VanDerWaalsContact O-CG 3.27Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.37Å; V171-I187 HydrophobicContact CG1-CD1 3.69Å; V171-I187 HydrophobicContact CG1-CG2 4.32Å; V171-I187 HydrophobicContact CG2-CG2 4.42Å; V171-F189 HydrophobicContact CB-CZ 4.12Å; V171-F189 HydrophobicContact CG1-CZ 4.16Å; V171-F189 HydrophobicContact CG2-CE1 3.99Å; V171-F189 HydrophobicContact CG2-CZ 3.84Å; V171-F208 HydrophobicContact CG1-CZ 4.19Å
172K98.1Very high97.9Very high54 Ų5443.2 Ų43.224%0.23523%0.231CC..Hα-helixtrans-58.3-55.2175.9-176.2-177.4-176.7-73.50111.6L168 Q169 T170 W174 L175 E176 Y207 F208L168-K172 VanDerWaalsContact O-CB 3.3Å; L168-K172 WeakPolarHBondContact O-CB 3.5Å; L168-K172 PolarHBondContact O-N 2.98Å; Q169-K172 PolarHBondContact O-N 3.49Å; T170-K172 VanDerWaalsContact C-N 3.32Å; T170-K172 PolarHBondContact O-N 2.93Å; K172-W174 VanDerWaalsContact C-N 3.26Å; K172-W174 PolarHBondContact O-N 3.35Å; K172-L175 PolarHBondContact O-N 2.85Å; K172-L175 VanDerWaalsContact O-N 3.16Å; K172-E176 IonicContact NZ-OE1 3.92Å; K172-E176 PolarHBondContact NZ-OE1 3.36Å; K172-E176 IonicContact NZ-OE2 3.43Å; K172-E176 PolarHBondContact NZ-OE2 2.78Å; K172-E176 WeakPolarHBondContact O-CG 3.33Å; K172-E176 PolarHBondContact O-N 3.22Å; K172-Y207 WeakPolarHBondContact CD-O 3.41Å; K172-Y207 WeakPolarHBondContact CE-O 3.41Å; K172-F208 HydrophobicContact CB-CE1 3.67Å; K172-F208 HydrophobicContact CB-CE2 4.41Å; K172-F208 HydrophobicContact CB-CZ 3.61Å; K172-F208 HydrophobicContact CG-CD1 4.4Å; K172-F208 HydrophobicContact CG-CE1 3.96Å; K172-F208 HydrophobicContact CG-CZ 4.34Å
173Q98.3Very high97.8Very high83 Ų8340 Ų4039%0.38822%0.221SC..Hα-helixtrans-58-40.8-180-74.4172.6-7.500111.7Q169 T170 E176 T177Q169-Q173 WeakPolarHBondContact O-CB 3.43Å; Q169-Q173 VanDerWaalsContact O-CG 3.26Å; Q169-Q173 WeakPolarHBondContact O-CG 3.24Å; Q169-Q173 PolarHBondContact O-N 3.15Å; T170-Q173 PolarHBondContact O-N 2.91Å; Q173-E176 PolarHBondContact O-N 2.82Å; Q173-T177 PolarHBondContact O-N 2.97Å; Q173-T177 PolarHBondContact O-OG1 3.04Å
174W98.7Very high97.8Very high12 Ų1239.9 Ų39.95%0.04522%0.219CC..Hα-helixtrans-64.8-45.8177.5-171.292.4000111.6L135 D136 K139 T170 V171 K172 E176 T177 N180 A183 L184L135-W174 HydrophobicContact CB-CD2 3.66Å; L135-W174 VanDerWaalsContact CB-CE2 3.43Å; L135-W174 HydrophobicContact CB-CE3 4.2Å; L135-W174 HydrophobicContact CB-CG 4.01Å; L135-W174 HydrophobicContact CB-CH2 4.34Å; L135-W174 HydrophobicContact CB-CZ2 3.8Å; L135-W174 HydrophobicContact CD1-CB 3.77Å; L135-W174 HydrophobicContact CD1-CD2 3.77Å; L135-W174 HydrophobicContact CD1-CE3 4.1Å; L135-W174 HydrophobicContact CD1-CG 3.61Å; L135-W174 HydrophobicContact CD2-CE3 4.42Å; L135-W174 HydrophobicContact CG-CD2 4.22Å; L135-W174 HydrophobicContact CG-CE3 4.48Å; L135-W174 HydrophobicContact CG-CG 4.43Å; L135-W174 WeakPolarHBondContact O-CZ2 3.39Å; D136-W174 PolarHBondContact OD1-NE1 3.2Å; K139-W174 HydrophobicContact CB-CZ2 4.15Å; K139-W174 HydrophobicContact CD-CZ2 4.31Å; T170-W174 WeakPolarHBondContact O-CB 3.35Å; T170-W174 PolarHBondContact O-N 3.21Å; V171-W174 PolarHBondContact O-N 3.12Å; K172-W174 VanDerWaalsContact C-N 3.26Å; K172-W174 PolarHBondContact O-N 3.35Å; W174-E176 VanDerWaalsContact C-N 3.28Å; W174-E176 PolarHBondContact O-N 2.83Å; W174-T177 WeakPolarHBondContact O-CB 3.45Å; W174-T177 PolarHBondContact O-N 3.25Å; W174-T177 VanDerWaalsContact O-N 3.13Å; W174-N180 HydrophobicContact CD2-CB 4.05Å; W174-N180 VanDerWaalsContact CE2-ND2 3.33Å; W174-N180 HydrophobicContact CE3-CB 3.75Å; W174-N180 HydrophobicContact CH2-CB 3.78Å; W174-N180 HydrophobicContact CZ2-CB 4.08Å; W174-N180 HydrophobicContact CZ3-CB 3.59Å; W174-N180 WeakPolarHBondContact CZ3-O 3.11Å; W174-N180 WeakPolarHBondContact O-CB 3.36Å; W174-N180 PolarHBondContact O-ND2 3.22Å; W174-A183 HydrophobicContact CH2-CB 4.24Å; W174-L184 HydrophobicContact CE3-CD1 4.48Å; W174-L184 HydrophobicContact CH2-CD1 3.72Å; W174-L184 HydrophobicContact CH2-CG 4.21Å; W174-L184 HydrophobicContact CZ3-CD1 3.58Å; W174-L184 HydrophobicContact CZ3-CG 4.28Å
175L97.9Very high97.8Very high3 Ų343 Ų432%0.01624%0.236CC..Hα-helixtrans-63.7-31.9177.4-72.5170.9000113L44 V171 K172 T177 L181 I187 F208L44-L175 HydrophobicContact CD2-CD1 4.21Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.33Å; V171-L175 WeakPolarHBondContact O-CB 3.34Å; V171-L175 VanDerWaalsContact O-CG 3.27Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.37Å; K172-L175 PolarHBondContact O-N 2.85Å; K172-L175 VanDerWaalsContact O-N 3.16Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 3.33Å; L175-L181 HydrophobicContact CB-CD1 4.44Å; L175-L181 HydrophobicContact CD2-CD1 4.21Å; L175-I187 HydrophobicContact CD1-CD1 4.2Å; L175-I187 HydrophobicContact CD2-CD1 3.96Å; L175-I187 HydrophobicContact CG-CD1 4.2Å; L175-F208 HydrophobicContact CD1-CE1 4.22Å
176E96.3Very high97.8Very high98 Ų9841.3 Ų41.346%0.45823%0.227SC..Hα-helixtrans-75.6-12.7176.5-73.5176.7143.900113.6M40 K172 Q173 W174M40-E176 HydrophobicContact CE-CG 3.45Å; M40-E176 VanDerWaalsContact CE-CG 3.45Å; K172-E176 IonicContact NZ-OE1 3.92Å; K172-E176 PolarHBondContact NZ-OE1 3.36Å; K172-E176 IonicContact NZ-OE2 3.43Å; K172-E176 PolarHBondContact NZ-OE2 2.78Å; K172-E176 WeakPolarHBondContact O-CG 3.33Å; K172-E176 PolarHBondContact O-N 3.22Å; Q173-E176 PolarHBondContact O-N 2.82Å; W174-E176 VanDerWaalsContact C-N 3.28Å; W174-E176 PolarHBondContact O-N 2.83Å
177T97.7Very high97.8Very high84 Ų8440.8 Ų40.852%0.51522%0.224SC..SBendtrans-88.2116-175-61.20000111.4Q173 W174 L175 D179 N180Q173-T177 PolarHBondContact O-N 2.97Å; Q173-T177 PolarHBondContact O-OG1 3.04Å; W174-T177 WeakPolarHBondContact O-CB 3.45Å; W174-T177 PolarHBondContact O-N 3.25Å; W174-T177 VanDerWaalsContact O-N 3.13Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 3.33Å; T177-D179 PolarHBondContact O-N 2.94Å; T177-N180 WeakPolarHBondContact O-CB 3.42Å; T177-N180 PolarHBondContact O-N 3.35Å; T177-N180 VanDerWaalsContact O-N 3.16Å; T177-N180 PolarHBondContact O-ND2 3.41Å
178G95.2Very high97.8Very high73 Ų7340.8 Ų40.875%0.75322%0.224SC*.THydrogen-bonded Turntrans58.4-129.6173.100000113.2
179D95.5Very high97.8Very high93 Ų9340.9 Ų40.950%0.49722%0.224SC..THydrogen-bonded Turntrans-96.613.7178.867.1-25.9000113.3K139 T177 L181 Q182 A183K139-D179 IonicContact NZ-OD1 3.37Å; K139-D179 PolarHBondContact NZ-OD1 2.99Å; T177-D179 PolarHBondContact O-N 2.94Å; D179-L181 PolarHBondContact O-N 3.43Å; D179-Q182 VanDerWaalsContact CA-OE1 3.26Å; D179-Q182 PolarHBondContact O-N 2.65Å; D179-Q182 PolarHBondContact O-OE1 3.43Å; D179-Q182 VanDerWaalsContact O-OE1 3.08Å; D179-A183 PolarHBondContact O-N 3.23Å
180N98.1Very high97.8Very high11 Ų1137.7 Ų37.76%0.05921%0.21CC..Hα-helixtrans-59.4-32.1-176.3-76.8-6.9000113K139 W174 T177 Q182 A183K139-N180 WeakPolarHBondContact CD-OD1 3.47Å; K139-N180 PolarHBondContact NZ-OD1 2.84Å; W174-N180 HydrophobicContact CD2-CB 4.05Å; W174-N180 VanDerWaalsContact CE2-ND2 3.33Å; W174-N180 HydrophobicContact CE3-CB 3.75Å; W174-N180 HydrophobicContact CH2-CB 3.78Å; W174-N180 HydrophobicContact CZ2-CB 4.08Å; W174-N180 HydrophobicContact CZ3-CB 3.59Å; W174-N180 WeakPolarHBondContact CZ3-O 3.11Å; W174-N180 WeakPolarHBondContact O-CB 3.36Å; W174-N180 PolarHBondContact O-ND2 3.22Å; T177-N180 WeakPolarHBondContact O-CB 3.42Å; T177-N180 PolarHBondContact O-N 3.35Å; T177-N180 VanDerWaalsContact O-N 3.16Å; T177-N180 PolarHBondContact O-ND2 3.41Å; N180-Q182 PolarHBondContact O-N 3.34Å; N180-A183 WeakPolarHBondContact O-CB 3.28Å; N180-A183 PolarHBondContact O-N 3.22Å; N180-A183 VanDerWaalsContact O-N 3.09Å
181L96.4Very high97.7Very high30 Ų3037.5 Ų37.516%0.15721%0.209CC..Hα-helixtrans-57.2-31.6174.6-170.768000112.1M40 K43 L175 D179M40-L181 HydrophobicContact CG-CD1 4.12Å; K43-L181 HydrophobicContact CD-CD1 3.49Å; K43-L181 VanDerWaalsContact CD-CD1 3.49Å; K43-L181 HydrophobicContact CD-CG 4.2Å; K43-L181 WeakPolarHBondContact CE-O 3.36Å; K43-L181 PolarHBondContact NZ-O 2.93Å; L175-L181 HydrophobicContact CB-CD1 4.44Å; L175-L181 HydrophobicContact CD2-CD1 4.21Å; D179-L181 PolarHBondContact O-N 3.43Å
182Q97Very high97.3Very high116 Ų11645.5 Ų45.554%0.54224%0.244SC..Hα-helixtrans-86.2-19.6179.2-66.673.941.900113.1D179 N180D179-Q182 VanDerWaalsContact CA-OE1 3.26Å; D179-Q182 PolarHBondContact O-N 2.65Å; D179-Q182 PolarHBondContact O-OE1 3.43Å; D179-Q182 VanDerWaalsContact O-OE1 3.08Å; N180-Q182 PolarHBondContact O-N 3.34Å
183A97.9Very high97.1Very high21 Ų2146.8 Ų46.817%0.17425%0.253CS..Hα-helixtrans-70.6-31.3-177.300000113.2K139 W174 D179 N180K139-A183 HydrophobicContact CB-CB 4.35Å; K139-A183 HydrophobicContact CD-CB 4.16Å; K139-A183 HydrophobicContact CG-CB 3.92Å; W174-A183 HydrophobicContact CH2-CB 4.24Å; D179-A183 PolarHBondContact O-N 3.23Å; N180-A183 WeakPolarHBondContact O-CB 3.28Å; N180-A183 PolarHBondContact O-N 3.22Å; N180-A183 VanDerWaalsContact O-N 3.09Å
184L98Very high96.9Very high0 Ų049.1 Ų49.10%027%0.268CS..  trans-119.9134.4-179-73.1169.4000111.8K43 L135 C138 L143 R144 V146 W174 I187K43-L184 PolarHBondContact NZ-O 3.09Å; L135-L184 HydrophobicContact CD2-CD1 3.57Å; C138-L184 HydrophobicContact CB-CD2 3.94Å; L143-L184 VanDerWaalsContact O-CD2 3.23Å; L143-L184 WeakPolarHBondContact O-CD2 3.48Å; R144-L184 CarbonylContact O-C 3.52Å; V146-L184 HydrophobicContact CG1-CD1 4.34Å; V146-L184 HydrophobicContact CG1-CD2 4.39Å; W174-L184 HydrophobicContact CE3-CD1 4.48Å; W174-L184 HydrophobicContact CH2-CD1 3.72Å; W174-L184 HydrophobicContact CH2-CG 4.21Å; W174-L184 HydrophobicContact CZ3-CD1 3.58Å; W174-L184 HydrophobicContact CZ3-CG 4.28Å; L184-I187 HydrophobicContact CD1-CD1 3.92Å; L184-I187 HydrophobicContact CD1-CG1 3.86Å
185D98.3Very high96.7Very high68 Ų6854.4 Ų54.436%0.36429%0.293SS..SBendtrans-84.8-34.9168.2-71.4-29.5000112.7R144R144-D185 HydrophobicContact CB-CB 4.46Å; R144-D185 IonicContact CZ-OD1 2.63Å; R144-D185 IonicContact CZ-OD2 2.82Å; R144-D185 IonicContact NE-OD1 3.75Å; R144-D185 IonicContact NE-OD2 3.18Å; R144-D185 PolarHBondContact NE-OD2 3.16Å; R144-D185 IonicContact NH2-OD1 3.89Å; R144-D185 PolarHBondContact NH2-OD1 3.38Å; R144-D185 IonicContact NH2-OD2 2.78Å; R144-D185 PolarHBondContact NH2-OD2 3.49Å; R144-D185 WeakPolarHBondContact O-CA 3.26Å; R144-D185 PolarHBondContact O-N 2.93Å
186R98.7Very high96.6Very high32 Ų3254.5 Ų54.512%0.12129%0.294CS..EExtended strand (participates in β ladder)trans-145.3134.6179.5-159.870.867.280.80.1114.5L19 V22 T24 K43 S45 R144 S145 V146 I188L19-R186 HydrophobicContact CD1-CB 3.76Å; L19-R186 HydrophobicContact CD1-CG 3.79Å; L19-R186 HydrophobicContact CD2-CB 4.38Å; V22-R186 PolarHBondContact O-NH1 3.2Å; T24-R186 VanDerWaalsContact CG2-CZ 3.42Å; K43-R186 CarbonylContact O-C 3.46Å; K43-R186 WeakPolarHBondContact O-CA 3.3Å; K43-R186 WeakPolarHBondContact O-CD 3.44Å; S45-R186 WeakPolarHBondContact OG-CD 3.43Å; S45-R186 PolarHBondContact OG-NH1 3.01Å; R144-R186 PolarHBondContact O-N 3.4Å; R144-R186 VanDerWaalsContact O-N 3.14Å; S145-R186 CarbonylContact C-O 3.6Å; S145-R186 VanDerWaalsContact CA-O 3.29Å; S145-R186 WeakPolarHBondContact CA-O 3.48Å; V146-R186 PolarHBondContact N-O 2.91Å; R186-I188 HydrophobicContact CG-CD1 4.28Å; R186-I188 HydrophobicContact CG-CG1 3.65Å
187I98.9Very high96.6Very high0 Ų054.9 Ų54.90%029%0.291CS..EExtended strand (participates in β ladder)trans-117.1118.2164.5-59.4172.3000107.1K43 L44 S45 L135 V146 F148 V171 L175 L184 F189K43-I187 PolarHBondContact O-N 3.36Å; L44-I187 CarbonylContact C-O 3.54Å; L44-I187 WeakPolarHBondContact CA-O 3.06Å; L44-I187 HydrophobicContact CD2-CB 4.06Å; S45-I187 PolarHBondContact N-O 3.48Å; L135-I187 HydrophobicContact CD2-CD1 3.72Å; L135-I187 HydrophobicContact CD2-CG1 4.16Å; V146-I187 HydrophobicContact CG1-CG1 4.13Å; V146-I187 CarbonylContact O-C 3.59Å; V146-I187 WeakPolarHBondContact O-CA 3.37Å; F148-I187 HydrophobicContact CD2-CG2 3.98Å; F148-I187 HydrophobicContact CE2-CG2 4Å; V171-I187 HydrophobicContact CG1-CD1 3.69Å; V171-I187 HydrophobicContact CG1-CG2 4.32Å; V171-I187 HydrophobicContact CG2-CG2 4.42Å; L175-I187 HydrophobicContact CD1-CD1 4.2Å; L175-I187 HydrophobicContact CD2-CD1 3.96Å; L175-I187 HydrophobicContact CG-CD1 4.2Å; L184-I187 HydrophobicContact CD1-CD1 3.92Å; L184-I187 HydrophobicContact CD1-CG1 3.86Å; I187-F189 HydrophobicContact CG2-CZ 4.45Å
188I98.9Very high96.5Very high0 Ų053.5 Ų53.50%029%0.288CS..EExtended strand (participates in β ladder)trans-106.9120.4-177.7-53.6165.4000108.3L19 V22 S45 W47 L54 I56 V146 A147 F148 R186 C190L19-I188 HydrophobicContact CD1-CD1 4.06Å; V22-I188 HydrophobicContact CG1-CD1 4.26Å; V22-I188 HydrophobicContact CG1-CG1 4.38Å; V22-I188 HydrophobicContact CG1-CG2 4.39Å; V22-I188 HydrophobicContact CG2-CD1 4.49Å; S45-I188 WeakPolarHBondContact O-CA 3.17Å; W47-I188 HydrophobicContact CB-CG2 3.74Å; L54-I188 HydrophobicContact CD1-CD1 4.3Å; L54-I188 HydrophobicContact CD1-CG2 4.47Å; I56-I188 HydrophobicContact CD1-CD1 4.04Å; I56-I188 HydrophobicContact CG2-CD1 4.12Å; V146-I188 PolarHBondContact O-N 3.38Å; A147-I188 CarbonylContact C-O 3.32Å; A147-I188 VanDerWaalsContact CA-O 3.28Å; A147-I188 WeakPolarHBondContact CA-O 3.35Å; A147-I188 HydrophobicContact CB-CB 3.86Å; A147-I188 HydrophobicContact CB-CD1 4.38Å; A147-I188 HydrophobicContact CB-CG2 4.35Å; F148-I188 PolarHBondContact N-O 2.8Å; R186-I188 HydrophobicContact CG-CD1 4.28Å; R186-I188 HydrophobicContact CG-CG1 3.65Å; I188-C190 PolarHBondContact O-N 2.63Å
189F98.7Very high96.6Very high1 Ų150.6 Ų50.60%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-82.998.5163.9-58.5-72.9000107.7L44 S45 W47 A167 L168 V171 I187 V191 Y200L44-F189 HydrophobicContact CD2-CE2 4.17Å; S45-F189 PolarHBondContact O-N 3.31Å; W47-F189 PolarHBondContact N-O 3.44Å; A167-F189 HydrophobicContact CB-CE1 4.3Å; L168-F189 HydrophobicContact CD2-CD2 4.47Å; L168-F189 HydrophobicContact CD2-CE1 4.41Å; L168-F189 HydrophobicContact CD2-CE2 3.79Å; L168-F189 HydrophobicContact CD2-CZ 3.76Å; V171-F189 HydrophobicContact CB-CZ 4.12Å; V171-F189 HydrophobicContact CG1-CZ 4.16Å; V171-F189 HydrophobicContact CG2-CE1 3.99Å; V171-F189 HydrophobicContact CG2-CZ 3.84Å; I187-F189 HydrophobicContact CG2-CZ 4.45Å; F189-V191 PolarHBondContact O-N 3.35Å; F189-Y200 HydrophobicContact CB-CD1 3.81Å; F189-Y200 HydrophobicContact CB-CE1 3.65Å; F189-Y200 HydrophobicContact CB-CG 4.34Å; F189-Y200 HydrophobicContact CD1-CD1 4.13Å; F189-Y200 AromaticContact CD1-CE1 3.27Å; F189-Y200 HydrophobicContact CD1-CE1 3.27Å; F189-Y200 AromaticContact CD1-CZ 3.77Å; F189-Y200 AromaticContact CD2-CD1 3.98Å; F189-Y200 HydrophobicContact CD2-CD1 3.98Å; F189-Y200 AromaticContact CD2-CE1 3.93Å; F189-Y200 HydrophobicContact CD2-CE1 3.93Å; F189-Y200 AromaticContact CE1-CE1 3.82Å; F189-Y200 HydrophobicContact CE1-CE1 3.82Å; F189-Y200 HydrophobicContact CE2-CE1 4.4Å; F189-Y200 AromaticContact CG-CD1 3.71Å; F189-Y200 HydrophobicContact CG-CD1 3.71Å; F189-Y200 AromaticContact CG-CE1 3.33Å; F189-Y200 HydrophobicContact CG-CE1 3.33Å; F189-Y200 HydrophobicContact CZ-CE1 4.34Å
190C98.6Very high96.7Very high7 Ų746.4 Ų46.45%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-85.399.1-179.9-174.30000109.2W47 I51 A147 F148 I188W47-C190 VanDerWaalsContact CE3-SG 3.53Å; W47-C190 CarbonylContact O-C 3.51Å; W47-C190 VanDerWaalsContact O-CA 3.29Å; W47-C190 WeakPolarHBondContact O-CA 3.15Å; I51-C190 HydrophobicContact CB-CB 4.35Å; I51-C190 VanDerWaalsContact CB-SG 3.56Å; I51-C190 HydrophobicContact CD1-CB 4Å; I51-C190 HydrophobicContact CG1-CB 3.98Å; A147-C190 HydrophobicContact CB-CB 4.44Å; F148-C190 WeakPolarHBondContact O-CA 3.37Å; F148-C190 WeakPolarHBondContact O-CB 3.49Å; F148-C190 PolarHBondContact O-N 2.93Å; I188-C190 PolarHBondContact O-N 2.63Å
191V96.6Very high96.6Very high1 Ų150.2 Ų50.21%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-95.4137.9-177-63.80000110.3I46 W47 S48 G49 F189 D196 R197 Y200I46-V191 HydrophobicContact CG2-CG2 4.22Å; W47-V191 PolarHBondContact O-N 2.92Å; S48-V191 VanDerWaalsContact CA-O 3.29Å; S48-V191 WeakPolarHBondContact CA-O 3.27Å; S48-V191 WeakPolarHBondContact OG-CG2 3.49Å; G49-V191 PolarHBondContact N-O 3.21Å; F189-V191 PolarHBondContact O-N 3.35Å; V191-D196 HydrophobicContact CB-CB 4Å; V191-D196 HydrophobicContact CG1-CB 3.95Å; V191-R197 HydrophobicContact CG2-CB 3.77Å; V191-R197 HydrophobicContact CG2-CG 4.21Å; V191-Y200 HydrophobicContact CG1-CD2 3.44Å; V191-Y200 VanDerWaalsContact CG1-CD2 3.44Å; V191-Y200 HydrophobicContact CG1-CE2 3.78Å; V191-Y200 HydrophobicContact CG1-CG 4.25Å
192F90.6Very high96.5Very high169 Ų16952.4 Ų52.474%0.74126%0.259SS*.  trans-102.6-32.8177.5-174-102.3000112.4
193L92.6Very high96.5Very high81 Ų8147.1 Ų47.142%0.42424%0.235SC..SBendtrans-96.2143.2179.8-56.5176.9000110.7E195 D196 R197L193-E195 PolarHBondContact O-N 3.26Å; L193-D196 HydrophobicContact CB-CB 4.41Å; L193-D196 PolarHBondContact O-N 2.92Å; L193-D196 VanDerWaalsContact O-N 3.15Å; L193-R197 PolarHBondContact O-N 3.13Å
194D93.7Very high96.4Very high132 Ų13246.1 Ų46.171%0.70623%0.226SC*.Hα-helixtrans-62.1-32.5174.8-68-31.8000112R197 A198D194-R197 WeakPolarHBondContact O-CB 3.42Å; D194-R197 PolarHBondContact O-N 3.04Å; D194-A198 PolarHBondContact O-N 2.94Å
195E94.8Very high96.1Very high123 Ų12348 Ų4858%0.57524%0.239SC*.Hα-helixtrans-62.1-44.7173.7-176.3178.7-172.400111.7L193 R197 A198 L199L193-E195 PolarHBondContact O-N 3.26Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.26Å; E195-A198 PolarHBondContact O-N 2.91Å; E195-L199 HydrophobicContact CG-CD1 4.38Å; E195-L199 VanDerWaalsContact O-CG 3.3Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 3.42Å
196D95.4Very high95.8Very high5 Ų550.8 Ų50.83%0.02725%0.248CC..Hα-helixtrans-63.7-42.4176.2-70-39.8000110.4C150 N160 V191 L193 A198 L199 Y200C150-D196 PolarHBondContact SG-OD2 3.12Å; N160-D196 PolarHBondContact ND2-OD1 3.3Å; V191-D196 HydrophobicContact CB-CB 4Å; V191-D196 HydrophobicContact CG1-CB 3.95Å; L193-D196 HydrophobicContact CB-CB 4.41Å; L193-D196 PolarHBondContact O-N 2.92Å; L193-D196 VanDerWaalsContact O-N 3.15Å; D196-A198 PolarHBondContact O-N 3.46Å; D196-L199 WeakPolarHBondContact O-CB 3.49Å; D196-L199 PolarHBondContact O-N 3.36Å; D196-Y200 VanDerWaalsContact O-CD2 3.27Å; D196-Y200 WeakPolarHBondContact O-CD2 3.38Å; D196-Y200 PolarHBondContact O-N 2.86Å
197R96.4Very high95.6Very high106 Ų10652 Ų5240%0.425%0.253SS..Hα-helixtrans-55.5-51.6175.7-174.8-174.2177152.9-1.8111.4S48 V191 L193 D194 E195 L199 Y200 E201S48-R197 WeakPolarHBondContact OG-CD 3.45Å; V191-R197 HydrophobicContact CG2-CB 3.77Å; V191-R197 HydrophobicContact CG2-CG 4.21Å; L193-R197 PolarHBondContact O-N 3.13Å; D194-R197 WeakPolarHBondContact O-CB 3.42Å; D194-R197 PolarHBondContact O-N 3.04Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.26Å; R197-L199 VanDerWaalsContact C-N 3.28Å; R197-L199 PolarHBondContact O-N 3.18Å; R197-Y200 PolarHBondContact O-N 3.1Å; R197-E201 HydrophobicContact CG-CG 4.38Å; R197-E201 IonicContact CZ-OE1 3.86Å; R197-E201 IonicContact NE-OE1 3.02Å; R197-E201 PolarHBondContact NE-OE1 3.28Å; R197-E201 IonicContact NE-OE2 2.74Å; R197-E201 IonicContact NH2-OE1 3.19Å; R197-E201 PolarHBondContact NH2-OE1 2.98Å; R197-E201 WeakPolarHBondContact O-CB 3.13Å; R197-E201 WeakPolarHBondContact O-CG 3.5Å; R197-E201 PolarHBondContact O-N 3.32Å
198A97Very high95.3Very high55 Ų5552.2 Ų52.246%0.45525%0.253SS..Hα-helixtrans-59.2-40.2179.200000111.8D194 E195 D196 E202D194-A198 PolarHBondContact O-N 2.94Å; E195-A198 PolarHBondContact O-N 2.91Å; D196-A198 PolarHBondContact O-N 3.46Å; A198-E202 VanDerWaalsContact O-CB 3.26Å; A198-E202 WeakPolarHBondContact O-CB 3.48Å; A198-E202 PolarHBondContact O-N 3.08Å
199L97.7Very high94.4Very high11 Ų1153.2 Ų53.26%0.05826%0.264CS..Hα-helixtrans-63.1-46.5176-71.7170.1000112.3N160 R161 C164 E195 D196 R197 E202 L203N160-L199 HydrophobicContact CB-CD1 3.74Å; R161-L199 HydrophobicContact CB-CD1 4.33Å; R161-L199 HydrophobicContact CB-CD2 3.95Å; R161-L199 HydrophobicContact CG-CD2 4.15Å; R161-L199 VanDerWaalsContact CZ-CD2 3.41Å; R161-L199 VanDerWaalsContact NH2-CD2 3.3Å; C164-L199 HydrophobicContact CB-CB 4.5Å; E195-L199 HydrophobicContact CG-CD1 4.38Å; E195-L199 VanDerWaalsContact O-CG 3.3Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 3.42Å; D196-L199 WeakPolarHBondContact O-CB 3.49Å; D196-L199 PolarHBondContact O-N 3.36Å; R197-L199 VanDerWaalsContact C-N 3.28Å; R197-L199 PolarHBondContact O-N 3.18Å; L199-E202 PolarHBondContact O-N 2.77Å; L199-L203 VanDerWaalsContact O-CB 3.26Å; L199-L203 WeakPolarHBondContact O-CB 3.25Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.22Å
200Y97.6Very high92.7Very high5 Ų559.4 Ų59.42%0.0232%0.315CS..Hα-helixtrans-65.8-42.5178.1-85.1-82.9000111.7C164 L168 F189 V191 D196 R197 E202 L203 V204C164-Y200 HydrophobicContact CB-CE2 4.36Å; L168-Y200 HydrophobicContact CD2-CD1 3.93Å; L168-Y200 HydrophobicContact CD2-CE1 3.94Å; L168-Y200 HydrophobicContact CG-CD1 4.37Å; L168-Y200 HydrophobicContact CG-CE1 4.22Å; F189-Y200 HydrophobicContact CB-CD1 3.81Å; F189-Y200 HydrophobicContact CB-CE1 3.65Å; F189-Y200 HydrophobicContact CB-CG 4.34Å; F189-Y200 HydrophobicContact CD1-CD1 4.13Å; F189-Y200 AromaticContact CD1-CE1 3.27Å; F189-Y200 HydrophobicContact CD1-CE1 3.27Å; F189-Y200 AromaticContact CD1-CZ 3.77Å; F189-Y200 AromaticContact CD2-CD1 3.98Å; F189-Y200 HydrophobicContact CD2-CD1 3.98Å; F189-Y200 AromaticContact CD2-CE1 3.93Å; F189-Y200 HydrophobicContact CD2-CE1 3.93Å; F189-Y200 AromaticContact CE1-CE1 3.82Å; F189-Y200 HydrophobicContact CE1-CE1 3.82Å; F189-Y200 HydrophobicContact CE2-CE1 4.4Å; F189-Y200 AromaticContact CG-CD1 3.71Å; F189-Y200 HydrophobicContact CG-CD1 3.71Å; F189-Y200 AromaticContact CG-CE1 3.33Å; F189-Y200 HydrophobicContact CG-CE1 3.33Å; F189-Y200 HydrophobicContact CZ-CE1 4.34Å; V191-Y200 HydrophobicContact CG1-CD2 3.44Å; V191-Y200 VanDerWaalsContact CG1-CD2 3.44Å; V191-Y200 HydrophobicContact CG1-CE2 3.78Å; V191-Y200 HydrophobicContact CG1-CG 4.25Å; D196-Y200 VanDerWaalsContact O-CD2 3.27Å; D196-Y200 WeakPolarHBondContact O-CD2 3.38Å; D196-Y200 PolarHBondContact O-N 2.86Å; R197-Y200 PolarHBondContact O-N 3.1Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; Y200-E202 PolarHBondContact O-N 3.39Å; Y200-L203 PolarHBondContact O-N 3.19Å; Y200-V204 HydrophobicContact CD1-CG2 4.32Å; Y200-V204 VanDerWaalsContact O-CB 3.27Å; Y200-V204 WeakPolarHBondContact O-CB 3.38Å; Y200-V204 WeakPolarHBondContact O-CG2 3.26Å; Y200-V204 PolarHBondContact O-N 2.71Å
201E95.3Very high92.4Very high92 Ų9262 Ų6243%0.4333%0.329SS..Hα-helixtrans-63.4-37.2176.7-72.6176.1170.500111.9I46 R197 P205I46-E201 HydrophobicContact CD1-CG 3.99Å; R197-E201 HydrophobicContact CG-CG 4.38Å; R197-E201 IonicContact CZ-OE1 3.86Å; R197-E201 IonicContact NE-OE1 3.02Å; R197-E201 PolarHBondContact NE-OE1 3.28Å; R197-E201 IonicContact NE-OE2 2.74Å; R197-E201 IonicContact NH2-OE1 3.19Å; R197-E201 PolarHBondContact NH2-OE1 2.98Å; R197-E201 WeakPolarHBondContact O-CB 3.13Å; R197-E201 WeakPolarHBondContact O-CG 3.5Å; R197-E201 PolarHBondContact O-N 3.32Å; E201-P205 WeakPolarHBondContact O-CD 3.19Å
202E94.9Very high92.2Very high75 Ų7565.2 Ų65.235%0.3535%0.346SS..Hα-helixtrans-70-44175.6-171.8-150.2131.300112.6R161 A198 L199 Y200 K206R161-E202 IonicContact CZ-OE1 2.69Å; R161-E202 IonicContact CZ-OE2 3.43Å; R161-E202 IonicContact NH1-OE1 2.86Å; R161-E202 PolarHBondContact NH1-OE1 3.12Å; R161-E202 IonicContact NH1-OE2 3.76Å; R161-E202 PolarHBondContact NH1-OE2 3.3Å; R161-E202 IonicContact NH2-OE1 3.74Å; R161-E202 IonicContact NH2-OE2 3.94Å; R161-E202 PolarHBondContact NH2-OE2 2.9Å; A198-E202 VanDerWaalsContact O-CB 3.26Å; A198-E202 WeakPolarHBondContact O-CB 3.48Å; A198-E202 PolarHBondContact O-N 3.08Å; L199-E202 PolarHBondContact O-N 2.77Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; Y200-E202 PolarHBondContact O-N 3.39Å; E202-K206 IonicContact OE1-NZ 2.71Å; E202-K206 PolarHBondContact OE1-NZ 2.74Å
203L96.6Very high92.3Very high5 Ų559.4 Ų59.43%0.02632%0.324CS..Hα-helixtrans-91.5-32.8-167.2-66.6178.5000113.4R161 C164 E165 L168 L199 Y200 K206 Y207R161-L203 HydrophobicContact CG-CD1 4.49Å; C164-L203 HydrophobicContact CB-CD1 4.24Å; E165-L203 HydrophobicContact CG-CD1 3.85Å; L168-L203 HydrophobicContact CD1-CB 3.43Å; L168-L203 VanDerWaalsContact CD1-CB 3.43Å; L199-L203 VanDerWaalsContact O-CB 3.26Å; L199-L203 WeakPolarHBondContact O-CB 3.25Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.22Å; Y200-L203 PolarHBondContact O-N 3.19Å; L203-K206 HydrophobicContact CD2-CD 3.98Å; L203-K206 WeakPolarHBondContact O-CA 3.44Å; L203-K206 WeakPolarHBondContact O-CB 3.3Å; L203-K206 PolarHBondContact O-N 3.02Å; L203-Y207 HydrophobicContact CB-CD2 4.35Å; L203-Y207 HydrophobicContact CB-CE2 4.39Å; L203-Y207 WeakPolarHBondContact O-CD2 3.41Å; L203-Y207 PolarHBondContact O-N 3.4Å; L203-Y207 VanDerWaalsContact O-N 3.13Å
204V95.8Very high92.3Very high0 Ų058.2 Ų58.20%032%0.318CS..Hα-helixtrans-53.8-46.6-179.4167.80000112.3V25 L41 L44 I46 L168 Y200 K206 Y207 F208V25-V204 HydrophobicContact CB-CG1 4.49Å; V25-V204 HydrophobicContact CG1-CG1 3.71Å; V25-V204 HydrophobicContact CG2-CG1 4.21Å; L41-V204 HydrophobicContact CD2-CG1 4.04Å; L44-V204 HydrophobicContact CD1-CG1 4.35Å; I46-V204 HydrophobicContact CD1-CB 4.44Å; I46-V204 HydrophobicContact CD1-CG2 4.03Å; I46-V204 HydrophobicContact CG1-CG2 4.43Å; L168-V204 HydrophobicContact CD1-CG2 4.2Å; L168-V204 HydrophobicContact CD2-CG2 3.46Å; L168-V204 VanDerWaalsContact CD2-CG2 3.46Å; L168-V204 HydrophobicContact CG-CG2 4.5Å; Y200-V204 HydrophobicContact CD1-CG2 4.32Å; Y200-V204 VanDerWaalsContact O-CB 3.27Å; Y200-V204 WeakPolarHBondContact O-CB 3.38Å; Y200-V204 WeakPolarHBondContact O-CG2 3.26Å; Y200-V204 PolarHBondContact O-N 2.71Å; V204-K206 PolarHBondContact O-N 2.84Å; V204-Y207 PolarHBondContact O-N 2.93Å; V204-F208 HydrophobicContact CG1-CD2 4.1Å; V204-F208 PolarHBondContact O-N 2.96Å
205P90.5Very high92.2Very high40 Ų4053.6 Ų53.626%0.2629%0.293SS..Hα-helixtrans-60.4-31.6176.2-24.535.6000113.5L29 E201 G209L29-P205 HydrophobicContact CD1-CG 4.45Å; L29-P205 HydrophobicContact CD2-CG 4.26Å; E201-P205 WeakPolarHBondContact O-CD 3.19Å; P205-G209 WeakPolarHBondContact O-CA 3.12Å; P205-G209 PolarHBondContact O-N 3.4Å
206K92.5Very high92Very high127 Ų12748.9 Ų48.955%0.55228%0.275SS*.Hα-helixtrans-71.3-36.7178.3-60.6177.9-175.3172.90112.2E202 L203 V204E202-K206 IonicContact OE1-NZ 2.71Å; E202-K206 PolarHBondContact OE1-NZ 2.74Å; L203-K206 HydrophobicContact CD2-CD 3.98Å; L203-K206 WeakPolarHBondContact O-CA 3.44Å; L203-K206 WeakPolarHBondContact O-CB 3.3Å; L203-K206 PolarHBondContact O-N 3.02Å; V204-K206 PolarHBondContact O-N 2.84Å
207Y94.8Very high91.8Very high58 Ų5852.1 Ų52.123%0.22729%0.292CS..Hα-helixtrans-82.8-36-179.2-80.1-91.2000112.8E165 L168 Q169 K172 L203 V204E165-Y207 WeakPolarHBondContact CB-OH 3.18Å; E165-Y207 HydrophobicContact CG-CE2 4.41Å; L168-Y207 HydrophobicContact CB-CD1 4.19Å; L168-Y207 HydrophobicContact CB-CD2 3.93Å; L168-Y207 HydrophobicContact CB-CE2 4.32Å; L168-Y207 HydrophobicContact CB-CG 3.87Å; L168-Y207 HydrophobicContact CD1-CD2 3.79Å; L168-Y207 HydrophobicContact CD1-CE2 4.2Å; L168-Y207 HydrophobicContact CD1-CG 4.44Å; Q169-Y207 HydrophobicContact CB-CD1 4.37Å; Q169-Y207 HydrophobicContact CB-CE1 3.81Å; Q169-Y207 HydrophobicContact CG-CE1 4.38Å; K172-Y207 WeakPolarHBondContact CD-O 3.41Å; K172-Y207 WeakPolarHBondContact CE-O 3.41Å; L203-Y207 HydrophobicContact CB-CD2 4.35Å; L203-Y207 HydrophobicContact CB-CE2 4.39Å; L203-Y207 WeakPolarHBondContact O-CD2 3.41Å; L203-Y207 PolarHBondContact O-N 3.4Å; L203-Y207 VanDerWaalsContact O-N 3.13Å; V204-Y207 PolarHBondContact O-N 2.93Å
208F92.8Very high91.4Very high3 Ų347.9 Ų47.91%0.01328%0.284CS..Hα-helixtrans-113.3-8.8-171.3-66.7-86.8000114.3S37 M40 L41 L44 L168 V171 K172 L175 V204S37-F208 WeakPolarHBondContact CB-O 3.41Å; S37-F208 PolarHBondContact OG-O 2.73Å; M40-F208 HydrophobicContact CB-CD1 3.95Å; M40-F208 HydrophobicContact SD-CD1 3.98Å; M40-F208 HydrophobicContact SD-CE1 4.3Å; L41-F208 HydrophobicContact CD2-CB 3.62Å; L41-F208 HydrophobicContact CG-CB 4.21Å; L44-F208 HydrophobicContact CD1-CD1 3.75Å; L44-F208 HydrophobicContact CD1-CD2 3.6Å; L44-F208 HydrophobicContact CD1-CE1 3.69Å; L44-F208 HydrophobicContact CD1-CE2 3.55Å; L44-F208 HydrophobicContact CD1-CG 3.7Å; L44-F208 HydrophobicContact CD1-CZ 3.58Å; L168-F208 HydrophobicContact CB-CE2 4.43Å; L168-F208 HydrophobicContact CD2-CE2 4.03Å; V171-F208 HydrophobicContact CG1-CZ 4.19Å; K172-F208 HydrophobicContact CB-CE1 3.67Å; K172-F208 HydrophobicContact CB-CE2 4.41Å; K172-F208 HydrophobicContact CB-CZ 3.61Å; K172-F208 HydrophobicContact CG-CD1 4.4Å; K172-F208 HydrophobicContact CG-CE1 3.96Å; K172-F208 HydrophobicContact CG-CZ 4.34Å; L175-F208 HydrophobicContact CD1-CE1 4.22Å; V204-F208 HydrophobicContact CG1-CD2 4.1Å; V204-F208 PolarHBondContact O-N 2.96Å
209G79.8Confident91Very high22 Ų2247.3 Ų47.323%0.22727%0.27CS..  trans-94.7-11.5-176.500000115.7P205P205-G209 WeakPolarHBondContact O-CA 3.12Å; P205-G209 PolarHBondContact O-N 3.4Å
210A63.3Low90.3Very high130 Ų13050.6 Ų50.6100%1.07429%0.289SS*.  trans-72.30173.100000112.5S37S37-A210 PolarHBondContact OG-O 3.43Å

Retrieved 210 of 210 residues in 253.4 ms (Link to these results)

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