A0A077Z7S8_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M38Very low53.5Low224 Ų224114.8 Ų114.8100%1.10353%0.525SS*.  048.90-160.2176.58400111.4
2F39.6Very low54Low170 Ų170108.4 Ų108.475%0.74650%0.496SS*.  trans-126.7-6.3177.5-91.6-80.4000113.7H4 L5F2-H4 VanDerWaalsContact C-N 3.34Å; F2-H4 PolarHBondContact O-N 2.83Å; F2-L5 HydrophobicContact CD1-CD1 4.36Å
3F43.2Very low54.2Low167 Ų167112 Ų11273%0.73251%0.51SS*.G310 helixtrans-81.3-7.1-178.2-74.5-79.2000114.6F6F3-F6 HydrophobicContact CD1-CE2 4.17Å
4H45.6Very low54.4Low166 Ų166105.1 Ų105.177%0.76948%0.482SS*.G310 helixtrans-87.4-2.7178.7-81.1-48.8000114.7F2F2-H4 VanDerWaalsContact C-N 3.34Å; F2-H4 PolarHBondContact O-N 2.83Å
5L47.5Very low54.3Low121 Ų121100.5 Ų100.563%0.63447%0.465SS*.G310 helixtrans-94.33.5-177-77.4163.3000114.6F2 H7F2-L5 HydrophobicContact CD1-CD1 4.36Å; L5-H7 PolarHBondContact O-N 2.8Å
6F53.5Low54Low108 Ų108102.1 Ų102.147%0.47448%0.484SS..  trans-78.274.5172.5-64.3-72.1000110.1F3 C8 P170F3-F6 HydrophobicContact CD1-CE2 4.17Å; F6-C8 PolarHBondContact O-N 3.22Å; F6-P170 HydrophobicContact CD1-CG 4.22Å
7H65.1Low53.8Low65 Ų6597.5 Ų97.530%0.30147%0.465SS..  trans-71113.7169.4-76.3-51.9000108.6L5 W9 E12 P170L5-H7 PolarHBondContact O-N 2.8Å; H7-W9 HydrophobicContact CB-CD2 3.88Å; H7-W9 HydrophobicContact CB-CE3 4.37Å; H7-W9 HydrophobicContact CB-CG 4.26Å; H7-W9 HydrophobicContact CB-CH2 4.44Å; H7-W9 HydrophobicContact CB-CZ2 3.96Å; H7-W9 PolarHBondContact O-N 3.45Å; H7-W9 PolarHBondContact O-NE1 3.41Å; H7-E12 WeakPolarHBondContact CB-OE2 3.11Å; H7-E12 IonicContact CE1-OE1 3.84Å; H7-E12 IonicContact CE1-OE2 3.98Å; H7-E12 IonicContact CG-OE2 3.39Å; H7-E12 VanDerWaalsContact ND1-CD 3.34Å; H7-E12 IonicContact ND1-OE1 2.89Å; H7-E12 PolarHBondContact ND1-OE1 3.23Å; H7-E12 VanDerWaalsContact ND1-OE1 3.16Å; H7-E12 IonicContact ND1-OE2 3.16Å; H7-E12 PolarHBondContact ND1-OE2 3.23Å; H7-P170 VanDerWaalsContact O-CB 3.28Å; H7-P170 WeakPolarHBondContact O-CB 3.48Å; H7-P170 WeakPolarHBondContact O-CG 3.38Å
8C74.6Confident53.7Low2 Ų296.9 Ų96.91%0.01446%0.461CS..  trans-74.168.6167.6-65.20000108.5F6 E10 T11 E12 C175 A177F6-C8 PolarHBondContact O-N 3.22Å; C8-E10 VanDerWaalsContact C-N 3.28Å; C8-E10 PolarHBondContact O-N 3.02Å; C8-T11 HydrophobicContact CB-CG2 4.42Å; C8-T11 WeakPolarHBondContact CB-OG1 3.37Å; C8-T11 WeakPolarHBondContact O-CA 3.44Å; C8-T11 PolarHBondContact O-N 3.17Å; C8-T11 PolarHBondContact O-OG1 3.38Å; C8-E12 WeakPolarHBondContact O-CG 3.43Å; C8-E12 PolarHBondContact O-N 3.47Å; C8-C175 VanDerWaalsContact CA-SG 3.6Å; C8-C175 HydrophobicContact CB-CB 3.65Å; C8-C175 WeakPolarHBondContact CB-SG 3.35Å; C8-C175 WeakPolarHBondContact SG-CB 3.23Å; C8-C175 CovalentContact SG-SG 2.03Å; C8-C175 PolarHBondContact SG-SG 2.94Å; C8-A177 HydrophobicContact CB-CB 4.33Å; C8-A177 PolarHBondContact SG-N 3.03Å; C8-A177 VanDerWaalsContact SG-N 3.4Å
9W61.2Low53.5Low139 Ų13992.6 Ų92.653%0.52744%0.44SS..Hα-helixtrans-43-50.6-164.8-62.395.8000113.4H7 T11 E12 F13H7-W9 HydrophobicContact CB-CD2 3.88Å; H7-W9 HydrophobicContact CB-CE3 4.37Å; H7-W9 HydrophobicContact CB-CG 4.26Å; H7-W9 HydrophobicContact CB-CH2 4.44Å; H7-W9 HydrophobicContact CB-CZ2 3.96Å; H7-W9 PolarHBondContact O-N 3.45Å; H7-W9 PolarHBondContact O-NE1 3.41Å; W9-T11 VanDerWaalsContact C-N 3.34Å; W9-T11 PolarHBondContact O-N 3.16Å; W9-E12 PolarHBondContact O-N 3.23Å; W9-F13 HydrophobicContact CB-CE2 4.38Å; W9-F13 HydrophobicContact CE3-CE2 4.34Å; W9-F13 WeakPolarHBondContact O-CD2 3.23Å; W9-F13 PolarHBondContact O-N 3.15Å
10E62.8Low53.4Low99 Ų9991.6 Ų91.646%0.46344%0.443SS..Hα-helixtrans-62.3-38.3-177.8-60.1178.5142.300113.1C8 A14 Y105C8-E10 VanDerWaalsContact C-N 3.28Å; C8-E10 PolarHBondContact O-N 3.02Å; E10-A14 PolarHBondContact O-N 3.41Å; E10-Y105 HydrophobicContact CB-CE1 4.13Å; E10-Y105 HydrophobicContact CB-CE2 3.79Å; E10-Y105 VanDerWaalsContact CB-CZ 3.44Å; E10-Y105 VanDerWaalsContact CB-OH 3.27Å; E10-Y105 WeakPolarHBondContact CB-OH 3.5Å; E10-Y105 PolarHBondContact OE2-OH 2.72Å
11T57.6Low53.1Low2 Ų294.6 Ų94.61%0.01246%0.457CS..Hα-helixtrans-71.1-36.3173.2640000112.1C8 W9 F13 A14 T15 Y105 C175C8-T11 HydrophobicContact CB-CG2 4.42Å; C8-T11 WeakPolarHBondContact CB-OG1 3.37Å; C8-T11 WeakPolarHBondContact O-CA 3.44Å; C8-T11 PolarHBondContact O-N 3.17Å; C8-T11 PolarHBondContact O-OG1 3.38Å; W9-T11 VanDerWaalsContact C-N 3.34Å; W9-T11 PolarHBondContact O-N 3.16Å; T11-F13 VanDerWaalsContact C-N 3.35Å; T11-F13 PolarHBondContact O-N 2.78Å; T11-A14 PolarHBondContact O-N 2.73Å; T11-T15 WeakPolarHBondContact O-CG2 3.09Å; T11-T15 PolarHBondContact O-N 2.62Å; T11-T15 VanDerWaalsContact O-N 3.12Å; T11-Y105 HydrophobicContact CG2-CD1 3.8Å; T11-Y105 HydrophobicContact CG2-CE1 3.61Å; T11-C175 WeakPolarHBondContact CG2-O 3.46Å
12E59Low53.7Low38 Ų3885.4 Ų85.418%0.17841%0.414CS..Hα-helixtrans-68-36.3-178.8-60.4-161.9136.100111.6H7 C8 W9 A14 T15 K179H7-E12 WeakPolarHBondContact CB-OE2 3.11Å; H7-E12 IonicContact CE1-OE1 3.84Å; H7-E12 IonicContact CE1-OE2 3.98Å; H7-E12 IonicContact CG-OE2 3.39Å; H7-E12 VanDerWaalsContact ND1-CD 3.34Å; H7-E12 IonicContact ND1-OE1 2.89Å; H7-E12 PolarHBondContact ND1-OE1 3.23Å; H7-E12 VanDerWaalsContact ND1-OE1 3.16Å; H7-E12 IonicContact ND1-OE2 3.16Å; H7-E12 PolarHBondContact ND1-OE2 3.23Å; C8-E12 WeakPolarHBondContact O-CG 3.43Å; C8-E12 PolarHBondContact O-N 3.47Å; W9-E12 PolarHBondContact O-N 3.23Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 2.93Å; E12-T15 PolarHBondContact O-N 3.01Å; E12-T15 PolarHBondContact O-OG1 3.5Å; E12-K179 WeakPolarHBondContact OE1-CE 3.18Å; E12-K179 IonicContact OE1-NZ 2.75Å; E12-K179 PolarHBondContact OE1-NZ 3.12Å
13F56.8Low54.6Low155 Ų15584.7 Ų84.768%0.6841%0.414SS*.Hα-helixtrans-64.7-35.8172.3-75.4-70.7000112.5W9 T11 T15 T16W9-F13 HydrophobicContact CB-CE2 4.38Å; W9-F13 HydrophobicContact CE3-CE2 4.34Å; W9-F13 WeakPolarHBondContact O-CD2 3.23Å; W9-F13 PolarHBondContact O-N 3.15Å; T11-F13 VanDerWaalsContact C-N 3.35Å; T11-F13 PolarHBondContact O-N 2.78Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 2.87Å; F13-T16 PolarHBondContact O-OG1 3.23Å
14A56.9Low56.1Low15 Ų1577.4 Ų77.412%0.12438%0.383CS..Hα-helixtrans-73-19.1177.400000113.9E10 T11 E12 T16 Y105 Y213E10-A14 PolarHBondContact O-N 3.41Å; T11-A14 PolarHBondContact O-N 2.73Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 2.93Å; A14-T16 PolarHBondContact O-N 2.98Å; A14-Y105 VanDerWaalsContact CB-CB 3.4Å; A14-Y105 HydrophobicContact CB-CG 3.94Å; A14-Y213 HydrophobicContact CB-CE2 4.35Å; A14-Y213 VanDerWaalsContact CB-OH 3.31Å; A14-Y213 WeakPolarHBondContact CB-OH 3.34Å
15T52.8Low58Low37 Ų3774 Ų7423%0.22737%0.37CS..THydrogen-bonded Turntrans-70.93.8-175.559.30000116T11 E12 F13 V17 H180 Y213T11-T15 WeakPolarHBondContact O-CG2 3.09Å; T11-T15 PolarHBondContact O-N 2.62Å; T11-T15 VanDerWaalsContact O-N 3.12Å; E12-T15 PolarHBondContact O-N 3.01Å; E12-T15 PolarHBondContact O-OG1 3.5Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 2.87Å; T15-V17 PolarHBondContact O-N 3.18Å; T15-H180 WeakPolarHBondContact CG2-CE1 3.38Å; T15-H180 WeakPolarHBondContact CG2-NE2 3.4Å; T15-Y213 HydrophobicContact CG2-CD1 3.37Å; T15-Y213 HydrophobicContact CG2-CE1 3.59Å; T15-Y213 HydrophobicContact CG2-CG 3.97Å
16T50.3Low60.1Low125 Ų12571.5 Ų71.577%0.76736%0.36SS*.THydrogen-bonded Turntrans-72.6-2.1173.448.30000113.5F13 A14F13-T16 PolarHBondContact O-OG1 3.23Å; A14-T16 PolarHBondContact O-N 2.98Å
17V50.4Low61.9Low25 Ų2569.2 Ų69.215%0.15235%0.352CS..  trans-109.1104.3178.2-168.70000111T15 S22T15-V17 PolarHBondContact O-N 3.18Å; V17-S22 WeakPolarHBondContact CG1-OG 3.43Å
18H51.2Low63.4Low86 Ų8668.3 Ų68.340%0.39835%0.347SS..  trans-75.1121.9171-99.6-77.5000110.7S20 E21 S22H18-S20 VanDerWaalsContact C-N 3.3Å; H18-S20 PolarHBondContact O-N 3.37Å; H18-E21 HydrophobicContact CB-CB 3.96Å; H18-E21 HydrophobicContact CB-CG 4.33Å; H18-E21 PolarHBondContact O-N 2.82Å; H18-S22 VanDerWaalsContact O-CB 3.25Å; H18-S22 WeakPolarHBondContact O-CB 3.25Å; H18-S22 PolarHBondContact O-N 2.95Å; H18-S22 PolarHBondContact O-OG 2.86Å
19F50.8Low64.4Low16 Ų1671 Ų717%0.0737%0.367CS..THydrogen-bonded Turntrans-57.3-37.4-178.1-81.6-89.5000114.4T108 H109 W209 Y213F19-T108 WeakPolarHBondContact CZ-OG1 3.35Å; F19-H109 AromaticContact CD1-CE1 3.41Å; F19-H109 VanDerWaalsContact CD1-CE1 3.41Å; F19-H109 WeakPolarHBondContact CD1-CE1 3.39Å; F19-H109 AromaticContact CD1-ND1 3.51Å; F19-H109 AromaticContact CE1-CD2 3.77Å; F19-H109 AromaticContact CE1-CE1 3.33Å; F19-H109 WeakPolarHBondContact CE1-CE1 3.42Å; F19-H109 AromaticContact CE1-CG 3.65Å; F19-H109 AromaticContact CE1-ND1 3.36Å; F19-H109 WeakPolarHBondContact CE1-ND1 3.05Å; F19-H109 AromaticContact CE1-NE2 3.59Å; F19-H109 AromaticContact CG-CE1 3.88Å; F19-H109 AromaticContact CZ-CD2 3.86Å; F19-H109 AromaticContact CZ-CE1 3.72Å; F19-H109 AromaticContact CZ-NE2 3.53Å; F19-W209 AromaticContact CD1-NE1 3.51Å; F19-W209 AromaticContact CE1-NE1 3.97Å; F19-Y213 AromaticContact CE2-CD2 3.65Å; F19-Y213 HydrophobicContact CE2-CD2 3.65Å; F19-Y213 HydrophobicContact CE2-CG 4.13Å; F19-Y213 HydrophobicContact CZ-CD2 4.33Å
20S50.6Low66.1Low71 Ų7164.6 Ų64.650%0.49734%0.343SS..THydrogen-bonded Turntrans-82.1-30.8-177.755.90000113.7H18H18-S20 VanDerWaalsContact C-N 3.3Å; H18-S20 PolarHBondContact O-N 3.37Å
21E47Very low67.6Low155 Ų15565 Ų6572%0.72435%0.348SS*.THydrogen-bonded Turntrans-92.7-31.1-177.6-64.1-175.8174.500112H18 Q23H18-E21 HydrophobicContact CB-CB 3.96Å; H18-E21 HydrophobicContact CB-CG 4.33Å; H18-E21 PolarHBondContact O-N 2.82Å; E21-Q23 PolarHBondContact O-N 3.25Å
22S50.7Low69.5Low31 Ų3168.4 Ų68.422%0.21737%0.37CS..  trans-74.784.2162.5750000107.5V17 H18 V24V17-S22 WeakPolarHBondContact CG1-OG 3.43Å; H18-S22 VanDerWaalsContact O-CB 3.25Å; H18-S22 WeakPolarHBondContact O-CB 3.25Å; H18-S22 PolarHBondContact O-N 2.95Å; H18-S22 PolarHBondContact O-OG 2.86Å; S22-V24 PolarHBondContact O-N 3.48Å
23Q59.8Low71.4Confident156 Ų15667.3 Ų67.373%0.72937%0.366SS*.  trans-61.687.7156.5-68.3-144-8.400106.5E21 D25E21-Q23 PolarHBondContact O-N 3.25Å; Q23-D25 PolarHBondContact O-N 3.2Å
24V74.3Confident73.3Confident14 Ų1464.3 Ų64.39%0.08536%0.356CS..  trans-65.7109.3176.7177.30000105.5S22 I98 T100 H109 Q113S22-V24 PolarHBondContact O-N 3.48Å; V24-I98 HydrophobicContact CG1-CB 3.77Å; V24-I98 HydrophobicContact CG1-CD1 4Å; V24-I98 HydrophobicContact CG1-CG1 4.28Å; V24-T100 HydrophobicContact CG1-CG2 4.2Å; V24-H109 HydrophobicContact CG2-CB 4.48Å; V24-Q113 HydrophobicContact CG1-CG 4.41Å; V24-Q113 PolarHBondContact O-NE2 2.88Å
25D85.5Confident75.1Confident95 Ų9567.7 Ų67.751%0.50838%0.377SS..  trans-73148.2-177.8-68.6-42000110.9Q23 I98 N99Q23-D25 PolarHBondContact O-N 3.2Å; D25-I98 CarbonylContact O-C 3.57Å; D25-I98 WeakPolarHBondContact O-CA 3.39Å; D25-N99 HydrophobicContact CB-CB 4.32Å; D25-N99 PolarHBondContact O-N 3.03Å
26V91.4Very high77Confident67 Ų6769.2 Ų69.241%0.40639%0.389SS..EExtended strand (participates in β ladder)trans-84120.2167.2177.30000107.2H28 L96 I98V26-H28 VanDerWaalsContact CG1-O 3.23Å; V26-H28 WeakPolarHBondContact CG1-O 3.31Å; V26-L96 HydrophobicContact CG1-CD1 3.68Å; V26-L96 HydrophobicContact CG2-CD1 4.24Å; V26-I98 HydrophobicContact CG2-CG2 4.41Å
27I92Very high79.2Confident61 Ų6166.8 Ų66.831%0.31337%0.37SS..EExtended strand (participates in β ladder)trans-81.9-49.8176.3-49.6177.7000109.2Q97 N99I27-Q97 HydrophobicContact CB-CB 4.43Å; I27-Q97 HydrophobicContact CB-CG 4.38Å; I27-Q97 HydrophobicContact CD1-CG 4.19Å; I27-Q97 PolarHBondContact N-O 2.04Å; I27-N99 HydrophobicContact CD1-CB 3.91Å; I27-N99 HydrophobicContact CG1-CB 3.84Å
28H94.7Very high81.5Confident45 Ų4566.7 Ų66.721%0.20837%0.368CS..EExtended strand (participates in β ladder)trans-134.9148.5177.9-64.7-91.3000110.4V26 E86 I89 Q97V26-H28 VanDerWaalsContact CG1-O 3.23Å; V26-H28 WeakPolarHBondContact CG1-O 3.31Å; H28-E86 IonicContact CE1-OE1 3.94Å; H28-E86 IonicContact CE1-OE2 2.79Å; H28-E86 PolarHBondContact CE1-OE2 3.48Å; H28-E86 IonicContact NE2-OE2 2.74Å; H28-E86 PolarHBondContact NE2-OE2 3.28Å; H28-E86 VanDerWaalsContact NE2-OE2 3.17Å; H28-I89 HydrophobicContact CB-CD1 4.01Å; H28-I89 HydrophobicContact CB-CG2 4.06Å; H28-Q97 HydrophobicContact CB-CB 4.2Å; H28-Q97 PolarHBondContact CD2-OE1 2.78Å; H28-Q97 VanDerWaalsContact CD2-OE1 3.23Å; H28-Q97 PolarHBondContact N-O 3.06Å; H28-Q97 PolarHBondContact O-N 3.48Å
29S96.3Very high83.6Confident60 Ų6067.7 Ų67.742%0.4237%0.369SS..  trans-125.7141.4-179168.30000109.4I95 W117S29-I95 CarbonylContact C-O 3.55Å; S29-W117 PolarHBondContact OG-NE1 3.09Å
30P96.7Very high85.8Confident3 Ų368.4 Ų68.42%0.01937%0.371CS..PPolyproline II helixtrans-67.5166.516729-28.3000109.3F74 K93 I95 L96 W117P30-F74 HydrophobicContact CB-CB 4.39Å; P30-F74 HydrophobicContact CG-CB 4.11Å; P30-F74 HydrophobicContact CG-CD2 4.31Å; P30-F74 HydrophobicContact CG-CG 4.21Å; P30-K93 WeakPolarHBondContact CB-O 3.32Å; P30-I95 VanDerWaalsContact CD-O 3.29Å; P30-I95 WeakPolarHBondContact CD-O 3.33Å; P30-L96 HydrophobicContact CG-CB 4.42Å; P30-W117 HydrophobicContact CB-CZ2 4.44Å; P30-W117 HydrophobicContact CG-CD2 4.44Å; P30-W117 HydrophobicContact CG-CH2 4.01Å; P30-W117 HydrophobicContact CG-CZ2 3.59Å
31L95.4Very high88.1Confident109 Ų10965 Ų6557%0.57135%0.347SS*.PPolyproline II helixtrans-55.4148.1174.7-67174.5000110.4K72 W117L31-K72 WeakPolarHBondContact O-CE 3.36Å; L31-K72 PolarHBondContact O-NZ 2.68Å; L31-W117 WeakPolarHBondContact O-CZ2 3.42Å
32P97Very high90.6Very high73 Ų7357.7 Ų57.747%0.47431%0.313SS..PPolyproline II helixtrans-59.3169.8174.6-25.835.3000113.7K72 N121P32-K72 PolarHBondContact O-NZ 3.42Å; P32-N121 HydrophobicContact CB-CB 4.22Å
33C98.1Very high92.9Very high15 Ų1556.2 Ų56.210%0.10130%0.303CS..PPolyproline II helixtrans-73.7142.5170.3-76.80000111.1P35 H38 I41 N121 C122C33-P35 WeakPolarHBondContact O-CD 3.06Å; C33-H38 WeakPolarHBondContact CA-ND1 3.43Å; C33-H38 HydrophobicContact CB-CB 4.03Å; C33-I41 WeakPolarHBondContact SG-CD1 3.14Å; C33-N121 VanDerWaalsContact CB-O 3.25Å; C33-N121 WeakPolarHBondContact CB-O 3.47Å; C33-N121 PolarHBondContact N-O 3.36Å; C33-C122 HydrophobicContact CB-CB 3.76Å; C33-C122 WeakPolarHBondContact CB-SG 3.4Å; C33-C122 WeakPolarHBondContact SG-CB 3.31Å; C33-C122 CovalentContact SG-SG 2.04Å; C33-C122 PolarHBondContact SG-SG 3.34Å
34I97.3Very high94.7Very high92 Ų9248.9 Ų48.947%0.47227%0.268SS..PPolyproline II helixtrans-72.3120.8168-55.2167.4000108.3I37 H38I34-I37 HydrophobicContact CB-CB 4.13Å; I34-I37 HydrophobicContact CB-CD1 4.49Å; I34-I37 HydrophobicContact CG2-CB 4.03Å; I34-I37 HydrophobicContact CG2-CD1 3.67Å; I34-I37 HydrophobicContact CG2-CG1 3.98Å; I34-I37 PolarHBondContact O-N 3.04Å; I34-H38 PolarHBondContact N-CE1 3.16Å; I34-H38 PolarHBondContact N-ND1 2.92Å; I34-H38 PolarHBondContact O-N 3.26Å
35P95Very high95.8Very high85 Ų8548.4 Ų48.455%0.55227%0.266SS*.THydrogen-bonded Turntrans-53.5141.7-180-28.937.2000112.7C33 I37 Y124C33-P35 WeakPolarHBondContact O-CD 3.06Å; P35-I37 PolarHBondContact O-N 3.29Å; P35-Y124 HydrophobicContact CB-CD2 4.1Å; P35-Y124 HydrophobicContact CB-CE2 3.84Å
36S91.5Very high96.4Very high69 Ų6944 Ų4448%0.48324%0.243SC..THydrogen-bonded Turntrans61.9-12.1178.5-54.30000117
37I97.2Very high96.6Very high74 Ų7446.2 Ų46.238%0.37924%0.244SC..THydrogen-bonded Turntrans-93.2-62.9177.9-63.7-170.8000110.2I34 P35 R39 V69 R70I34-I37 HydrophobicContact CB-CB 4.13Å; I34-I37 HydrophobicContact CB-CD1 4.49Å; I34-I37 HydrophobicContact CG2-CB 4.03Å; I34-I37 HydrophobicContact CG2-CD1 3.67Å; I34-I37 HydrophobicContact CG2-CG1 3.98Å; I34-I37 PolarHBondContact O-N 3.04Å; P35-I37 PolarHBondContact O-N 3.29Å; I37-R39 PolarHBondContact O-N 3.34Å; I37-V69 HydrophobicContact CG2-CB 4.2Å; I37-V69 HydrophobicContact CG2-CG2 4.44Å; I37-V69 WeakPolarHBondContact CG2-O 3.36Å; I37-R70 WeakPolarHBondContact O-CA 3.32Å
38H98Very high96.6Very high23 Ų2344.6 Ų44.611%0.10624%0.237CC..  trans-73.4113.4179.3-59.4139.3000110.5C33 I34 I41 V69 R70 F71 K72C33-H38 WeakPolarHBondContact CA-ND1 3.43Å; C33-H38 HydrophobicContact CB-CB 4.03Å; I34-H38 PolarHBondContact N-CE1 3.16Å; I34-H38 PolarHBondContact N-ND1 2.92Å; I34-H38 PolarHBondContact O-N 3.26Å; H38-I41 HydrophobicContact CB-CD1 4.23Å; H38-V69 PolarHBondContact CD2-O 3.32Å; H38-V69 VanDerWaalsContact CD2-O 3.23Å; H38-R70 CarbonylContact C-O 3.57Å; H38-R70 WeakPolarHBondContact CA-O 3.4Å; H38-F71 PolarHBondContact CD2-O 3.01Å; H38-F71 VanDerWaalsContact CD2-O 3.31Å; H38-K72 HydrophobicContact CB-CB 4.3Å
39R96Very high96.5Very high108 Ų10848.4 Ų48.441%0.40825%0.254SS..  trans-112.8-25.7179.6-63.7179-170-178.12112.4I37 R70 Q126 L127I37-R39 PolarHBondContact O-N 3.34Å; R39-R70 PolarHBondContact N-O 3.37Å; R39-Q126 PolarHBondContact O-N 3.4Å; R39-L127 PolarHBondContact O-N 3.48Å
40Y97.7Very high96.5Very high30 Ų3047.7 Ų47.712%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-120.9122.5-176.5-48.9-50.3000109.2R70 F71 K72 L127 L143 L146Y40-R70 HydrophobicContact CD2-CB 4.04Å; Y40-R70 HydrophobicContact CE2-CB 4.19Å; Y40-R70 PolarHBondContact N-O 3.37Å; Y40-R70 VanDerWaalsContact N-O 3.07Å; Y40-F71 VanDerWaalsContact CB-CD1 3.46Å; Y40-F71 VanDerWaalsContact CB-CE1 3.45Å; Y40-F71 HydrophobicContact CD2-CD1 4.18Å; Y40-F71 HydrophobicContact CD2-CD2 4.06Å; Y40-F71 AromaticContact CD2-CE1 3.75Å; Y40-F71 HydrophobicContact CD2-CE1 3.75Å; Y40-F71 AromaticContact CD2-CE2 3.63Å; Y40-F71 HydrophobicContact CD2-CE2 3.63Å; Y40-F71 HydrophobicContact CD2-CG 4.34Å; Y40-F71 AromaticContact CD2-CZ 3.46Å; Y40-F71 HydrophobicContact CD2-CZ 3.46Å; Y40-F71 VanDerWaalsContact CD2-CZ 3.46Å; Y40-F71 HydrophobicContact CE2-CE2 4.28Å; Y40-F71 HydrophobicContact CE2-CZ 4.22Å; Y40-F71 HydrophobicContact CG-CD1 4.29Å; Y40-F71 AromaticContact CG-CE1 3.92Å; Y40-F71 HydrophobicContact CG-CE1 3.92Å; Y40-F71 HydrophobicContact CG-CZ 4.09Å; Y40-F71 CarbonylContact O-C 3.59Å; Y40-F71 VanDerWaalsContact O-CA 3.27Å; Y40-F71 WeakPolarHBondContact O-CA 3.41Å; Y40-K72 PolarHBondContact O-N 2.67Å; Y40-L127 HydrophobicContact CD1-CB 3.73Å; Y40-L127 HydrophobicContact CD1-CD2 4.27Å; Y40-L127 HydrophobicContact CE1-CB 4.49Å; Y40-L143 HydrophobicContact CE2-CD2 4.29Å; Y40-L146 HydrophobicContact CD1-CD1 4.38Å; Y40-L146 HydrophobicContact CE1-CD1 4.05Å
41I98.6Very high96.5Very high0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-114.4122.3-174.3-45.8-58.2000108.9C33 H38 K72 F74 I118 C122 A125 L127 V128 V129C33-I41 WeakPolarHBondContact SG-CD1 3.14Å; H38-I41 HydrophobicContact CB-CD1 4.23Å; I41-K72 CarbonylContact C-O 3.55Å; I41-K72 WeakPolarHBondContact CA-O 3.43Å; I41-K72 HydrophobicContact CD1-CB 3.93Å; I41-F74 HydrophobicContact CG2-CD1 4.31Å; I41-F74 HydrophobicContact CG2-CE1 3.61Å; I41-I118 HydrophobicContact CB-CD1 4.48Å; I41-I118 HydrophobicContact CG1-CG2 4.43Å; I41-I118 HydrophobicContact CG2-CD1 3.86Å; I41-I118 HydrophobicContact CG2-CG1 3.96Å; I41-C122 HydrophobicContact CD1-CB 4.18Å; I41-C122 HydrophobicContact CG1-CB 4.38Å; I41-A125 HydrophobicContact CD1-CB 4.35Å; I41-A125 HydrophobicContact CG1-CB 3.68Å; I41-L127 PolarHBondContact N-O 2.94Å; I41-V128 HydrophobicContact CB-CG2 4.45Å; I41-V128 CarbonylContact O-C 3.55Å; I41-V128 VanDerWaalsContact O-CA 3.27Å; I41-V128 WeakPolarHBondContact O-CA 3.44Å; I41-V129 PolarHBondContact O-N 3.25Å
42L98.8Very high96.5Very high1 Ų153.4 Ų53.41%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-111.1137.5176.3-78.354.3000107.9F65 F71 K72 V73 F74 V129 L137L42-F65 HydrophobicContact CD2-CB 4.17Å; L42-F65 HydrophobicContact CD2-CD1 3.5Å; L42-F65 VanDerWaalsContact CD2-CD1 3.5Å; L42-F65 HydrophobicContact CD2-CD2 4.02Å; L42-F65 HydrophobicContact CD2-CE1 3.78Å; L42-F65 HydrophobicContact CD2-CE2 4.31Å; L42-F65 HydrophobicContact CD2-CG 3.61Å; L42-F65 HydrophobicContact CD2-CZ 4.18Å; L42-F71 HydrophobicContact CD1-CD1 3.59Å; L42-F71 HydrophobicContact CD1-CE1 3.95Å; L42-F71 HydrophobicContact CD2-CD1 4.49Å; L42-K72 PolarHBondContact N-O 2.94Å; L42-V73 HydrophobicContact CB-CB 4.27Å; L42-V73 HydrophobicContact CB-CG1 3.85Å; L42-V73 HydrophobicContact CB-CG2 4.04Å; L42-V73 HydrophobicContact CD2-CG2 4.09Å; L42-V73 VanDerWaalsContact O-CA 3.31Å; L42-V73 WeakPolarHBondContact O-CA 3.38Å; L42-F74 PolarHBondContact O-N 3.18Å; L42-F74 VanDerWaalsContact O-N 3.1Å; L42-V129 CarbonylContact C-O 3.5Å; L42-V129 VanDerWaalsContact CA-O 3.32Å; L42-V129 WeakPolarHBondContact CA-O 3.5Å; L42-V129 HydrophobicContact CD1-CB 3.89Å; L42-V129 HydrophobicContact CD1-CG2 3.86Å; L42-V129 HydrophobicContact CG-CB 3.79Å; L42-V129 HydrophobicContact CG-CG1 4.17Å; L42-V129 HydrophobicContact CG-CG2 4.27Å; L42-L137 HydrophobicContact CD2-CD1 3.8Å; L42-L137 HydrophobicContact CG-CD1 4.29Å
43F98.8Very high96.6Very high1 Ų151 Ų510%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-137.6146.2169.672.9-86.4000112.5P45 F74 V76 I111 A114 F115 I118 V128 V129 R130 A131F43-P45 HydrophobicContact CD2-CG 4.11Å; F43-P45 HydrophobicContact CE2-CG 3.98Å; F43-F74 CarbonylContact C-O 3.57Å; F43-F74 WeakPolarHBondContact CA-O 3.47Å; F43-F74 HydrophobicContact CB-CD1 4.22Å; F43-F74 HydrophobicContact CB-CD2 4.01Å; F43-F74 HydrophobicContact CB-CE1 3.86Å; F43-F74 HydrophobicContact CB-CE2 3.63Å; F43-F74 HydrophobicContact CB-CG 4.29Å; F43-F74 HydrophobicContact CB-CZ 3.54Å; F43-F74 HydrophobicContact CG-CE2 4.43Å; F43-F74 HydrophobicContact CG-CZ 4.23Å; F43-V76 HydrophobicContact CB-CG2 4.24Å; F43-V76 HydrophobicContact CD2-CG2 3.84Å; F43-V76 HydrophobicContact CG-CG2 4.43Å; F43-I111 HydrophobicContact CE2-CD1 3.69Å; F43-I111 HydrophobicContact CZ-CD1 4.23Å; F43-I111 HydrophobicContact CZ-CG2 4.23Å; F43-A114 HydrophobicContact CD1-CB 4.41Å; F43-A114 HydrophobicContact CD2-CB 3.82Å; F43-A114 HydrophobicContact CE1-CB 4.43Å; F43-A114 HydrophobicContact CE2-CB 3.84Å; F43-A114 HydrophobicContact CG-CB 4.11Å; F43-A114 HydrophobicContact CZ-CB 4.15Å; F43-F115 HydrophobicContact CE1-CD1 4.4Å; F43-F115 AromaticContact CE1-CE1 3.93Å; F43-F115 HydrophobicContact CE1-CE1 3.93Å; F43-F115 HydrophobicContact CZ-CD1 4.41Å; F43-F115 AromaticContact CZ-CE1 3.85Å; F43-F115 HydrophobicContact CZ-CE1 3.85Å; F43-I118 HydrophobicContact CD1-CD1 4.12Å; F43-I118 HydrophobicContact CE1-CD1 4.46Å; F43-V128 HydrophobicContact CD1-CG1 3.94Å; F43-V128 HydrophobicContact CE1-CG1 3.6Å; F43-V129 PolarHBondContact N-O 3.11Å; F43-R130 HydrophobicContact CD2-CG 4.38Å; F43-R130 HydrophobicContact CE1-CB 3.81Å; F43-R130 HydrophobicContact CE1-CG 4.2Å; F43-R130 HydrophobicContact CE2-CB 4.09Å; F43-R130 HydrophobicContact CE2-CG 3.54Å; F43-R130 HydrophobicContact CZ-CB 3.53Å; F43-R130 HydrophobicContact CZ-CG 3.43Å; F43-R130 VanDerWaalsContact CZ-CG 3.43Å; F43-A131 PolarHBondContact O-N 3.45Å
44V98.6Very high96.6Very high1 Ų150.4 Ų50.41%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-124.4101.1-176.1-178.40000109.6S46 W61 F74 F75 V76 A131 P133V44-S46 PolarHBondContact O-N 2.9Å; V44-W61 HydrophobicContact CG2-CH2 3.72Å; V44-W61 HydrophobicContact CG2-CZ2 4.18Å; V44-F74 PolarHBondContact N-O 2.84Å; V44-F75 HydrophobicContact CB-CD1 3.71Å; V44-F75 HydrophobicContact CB-CE1 3.93Å; V44-F75 HydrophobicContact CG1-CD1 3.96Å; V44-F75 HydrophobicContact CG1-CE1 4.01Å; V44-F75 HydrophobicContact CG2-CE1 4.43Å; V44-F75 WeakPolarHBondContact O-CA 3.15Å; V44-V76 PolarHBondContact O-N 2.92Å; V44-A131 WeakPolarHBondContact CA-O 3.41Å; V44-P133 HydrophobicContact CG1-CB 4.01Å
45P98.1Very high96.6Very high5 Ų548 Ų483%0.03224%0.235CC..EExtended strand (participates in β ladder)trans-62.6120170.2-16.130.4000109.3F43 V76 I107 K110 I111 A131 P133F43-P45 HydrophobicContact CD2-CG 4.11Å; F43-P45 HydrophobicContact CE2-CG 3.98Å; P45-V76 WeakPolarHBondContact CA-O 3.4Å; P45-I107 HydrophobicContact CB-CG1 4.47Å; P45-K110 HydrophobicContact CB-CB 4.31Å; P45-K110 HydrophobicContact CB-CD 3.96Å; P45-I111 HydrophobicContact CB-CD1 4.45Å; P45-I111 HydrophobicContact CG-CD1 3.52Å; P45-A131 WeakPolarHBondContact CD-O 3.48Å; P45-P133 WeakPolarHBondContact O-CD 3.29Å
46S97Very high96.8Very high3 Ų343.9 Ų43.92%0.02121%0.209CC..  trans-137163.2-179.155.30000110.9V44 R54 V76 L77 K110V44-S46 PolarHBondContact O-N 2.9Å; S46-R54 WeakPolarHBondContact OG-CD 3.18Å; S46-V76 PolarHBondContact N-O 2.95Å; S46-L77 VanDerWaalsContact O-CD2 3.31Å; S46-L77 WeakPolarHBondContact O-CD2 3.4Å; S46-L77 WeakPolarHBondContact OG-CD2 3.46Å; S46-K110 PolarHBondContact O-NZ 3.26Å
47R95Very high97.1Very high113 Ų11340.6 Ų40.643%0.42619%0.186SC..  trans-84.7146-179.5-53.5174.269.8-151.8-6.2110.2E49 D50 R54 D102R47-E49 HydrophobicContact CB-CG 4.03Å; R47-E49 IonicContact CZ-OE1 3.88Å; R47-E49 IonicContact CZ-OE2 3.76Å; R47-E49 IonicContact NE-OE1 2.83Å; R47-E49 IonicContact NH1-OE1 3.98Å; R47-E49 PolarHBondContact NH1-OE1 3.05Å; R47-E49 IonicContact NH2-OE1 3.82Å; R47-E49 PolarHBondContact NH2-OE1 3.36Å; R47-E49 IonicContact NH2-OE2 3.02Å; R47-E49 PolarHBondContact NH2-OE2 3.05Å; R47-E49 PolarHBondContact O-N 3.01Å; R47-D50 HydrophobicContact CB-CB 4.42Å; R47-D50 WeakPolarHBondContact CB-OD2 3.43Å; R47-D50 WeakPolarHBondContact CG-OD2 3.46Å; R47-D50 PolarHBondContact O-N 3.46Å; R47-R54 PolarHBondContact O-NH1 2.85Å; R47-D102 WeakPolarHBondContact CA-OD2 3.41Å
48T93.3Very high97.1Very high27 Ų2738.3 Ų38.317%0.16617%0.172CC..THydrogen-bonded Turntrans-53.9-41.4179.742.50000112.8D50 R54 L77 A78 V85 D102T48-D50 VanDerWaalsContact C-N 3.3Å; T48-D50 PolarHBondContact O-N 3.35Å; T48-R54 PolarHBondContact O-NH2 2.84Å; T48-L77 HydrophobicContact CG2-CB 4.09Å; T48-L77 HydrophobicContact CG2-CD1 4.34Å; T48-A78 WeakPolarHBondContact CG2-O 3.43Å; T48-V85 HydrophobicContact CG2-CG2 4.36Å; T48-D102 PolarHBondContact N-OD2 3.15Å; T48-D102 PolarHBondContact OG1-OD2 3.23Å
49E92.9Very high97.1Very high124 Ų12442 Ų4258%0.57919%0.185SC*.THydrogen-bonded Turntrans-65.2-23.5177.864.6-161.7-126.200114.8R47 R51R47-E49 HydrophobicContact CB-CG 4.03Å; R47-E49 IonicContact CZ-OE1 3.88Å; R47-E49 IonicContact CZ-OE2 3.76Å; R47-E49 IonicContact NE-OE1 2.83Å; R47-E49 IonicContact NH1-OE1 3.98Å; R47-E49 PolarHBondContact NH1-OE1 3.05Å; R47-E49 IonicContact NH2-OE1 3.82Å; R47-E49 PolarHBondContact NH2-OE1 3.36Å; R47-E49 IonicContact NH2-OE2 3.02Å; R47-E49 PolarHBondContact NH2-OE2 3.05Å; R47-E49 PolarHBondContact O-N 3.01Å; E49-R51 PolarHBondContact O-N 2.89Å
50D95.2Very high97.2Very high45 Ų4537 Ų3724%0.24117%0.167CC..  trans-79.939.2-175.6-68.9-29.4000113.1R47 T48 Q52 L53 R54R47-D50 HydrophobicContact CB-CB 4.42Å; R47-D50 WeakPolarHBondContact CB-OD2 3.43Å; R47-D50 WeakPolarHBondContact CG-OD2 3.46Å; R47-D50 PolarHBondContact O-N 3.46Å; T48-D50 VanDerWaalsContact C-N 3.3Å; T48-D50 PolarHBondContact O-N 3.35Å; D50-Q52 PolarHBondContact O-N 2.8Å; D50-L53 HydrophobicContact CB-CB 4.09Å; D50-L53 HydrophobicContact CB-CD2 4.37Å; D50-L53 WeakPolarHBondContact O-CB 3.26Å; D50-L53 PolarHBondContact O-N 2.84Å; D50-R54 PolarHBondContact O-N 3.03Å; D50-R54 PolarHBondContact O-NH1 3.17Å
51R96.2Very high97.2Very high100 Ų10035.6 Ų35.638%0.37716%0.161SC..Hα-helixtrans-60.6-42.9-177.4178.2173.4176.3-82.9-9.4112.8E49 L53 R54 S55 E88E49-R51 PolarHBondContact O-N 2.89Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 2.88Å; R51-R54 PolarHBondContact O-N 2.78Å; R51-S55 WeakPolarHBondContact O-CB 3.38Å; R51-S55 PolarHBondContact O-N 3.31Å; R51-E88 WeakPolarHBondContact CG-OE2 3.21Å
52Q96.9Very high97.2Very high132 Ų13235.9 Ų35.962%0.61716%0.163SC*.Hα-helixtrans-65.3-38178.3-67.6-177.2-500111.4D50 S55 V56 V265D50-Q52 PolarHBondContact O-N 2.8Å; Q52-S55 WeakPolarHBondContact O-CB 3.42Å; Q52-S55 PolarHBondContact O-N 3.17Å; Q52-V56 PolarHBondContact O-N 2.82Å; Q52-V265 HydrophobicContact CB-CG2 4.19Å
53L97.7Very high97.2Very high24 Ų2439.8 Ų39.813%0.12618%0.182CC..Hα-helixtrans-63.3-47.5175.1-17857.9000111.4D50 R51 S55 V56 I57 P133 L268D50-L53 HydrophobicContact CB-CB 4.09Å; D50-L53 HydrophobicContact CB-CD2 4.37Å; D50-L53 WeakPolarHBondContact O-CB 3.26Å; D50-L53 PolarHBondContact O-N 2.84Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 2.88Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 2.8Å; L53-V56 HydrophobicContact CD1-CG1 4.07Å; L53-V56 WeakPolarHBondContact O-CG1 3.42Å; L53-V56 PolarHBondContact O-N 2.84Å; L53-I57 HydrophobicContact CD1-CD1 4.26Å; L53-I57 HydrophobicContact CD1-CG1 4.43Å; L53-I57 HydrophobicContact CG-CD1 4.01Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.17Å; L53-I57 PolarHBondContact O-N 3.13Å; L53-P133 HydrophobicContact CD2-CB 3.95Å; L53-L268 HydrophobicContact CD1-CD2 4.39Å
54R98Very high97.1Very high1 Ų140.9 Ų40.90%0.00419%0.188CC..Hα-helixtrans-57.6-44.2173.2-70.8-169-68.3-75.84.8112S46 R47 T48 D50 R51 V56 I57 R58 F75 E88S46-R54 WeakPolarHBondContact OG-CD 3.18Å; R47-R54 PolarHBondContact O-NH1 2.85Å; T48-R54 PolarHBondContact O-NH2 2.84Å; D50-R54 PolarHBondContact O-N 3.03Å; D50-R54 PolarHBondContact O-NH1 3.17Å; R51-R54 PolarHBondContact O-N 2.78Å; R54-V56 VanDerWaalsContact C-N 3.3Å; R54-V56 PolarHBondContact O-N 3.29Å; R54-I57 PolarHBondContact O-N 2.92Å; R54-R58 WeakPolarHBondContact O-CG 3.3Å; R54-R58 PolarHBondContact O-N 2.95Å; R54-F75 HydrophobicContact CB-CD1 4.47Å; R54-F75 HydrophobicContact CB-CE1 4.13Å; R54-F75 HydrophobicContact CB-CE2 4.17Å; R54-F75 HydrophobicContact CB-CZ 3.95Å; R54-F75 HydrophobicContact CG-CD1 3.7Å; R54-F75 HydrophobicContact CG-CD2 4.33Å; R54-F75 HydrophobicContact CG-CE1 3.74Å; R54-F75 HydrophobicContact CG-CE2 4.35Å; R54-F75 HydrophobicContact CG-CG 4.01Å; R54-F75 HydrophobicContact CG-CZ 4.06Å; R54-E88 IonicContact CZ-OE1 3.55Å; R54-E88 IonicContact CZ-OE2 2.68Å; R54-E88 IonicContact NE-OE1 2.89Å; R54-E88 PolarHBondContact NE-OE1 3.48Å; R54-E88 IonicContact NE-OE2 3.78Å; R54-E88 PolarHBondContact NE-OE2 2.81Å; R54-E88 IonicContact NH2-OE1 2.92Å; R54-E88 IonicContact NH2-OE2 2.82Å; R54-E88 PolarHBondContact NH2-OE2 2.83Å
55S98Very high97.1Very high41 Ų4140.9 Ų40.929%0.28719%0.188SC..Hα-helixtrans-60.4-38178.5-175.10000112.5R51 Q52 L53 R59R51-S55 WeakPolarHBondContact O-CB 3.38Å; R51-S55 PolarHBondContact O-N 3.31Å; Q52-S55 WeakPolarHBondContact O-CB 3.42Å; Q52-S55 PolarHBondContact O-N 3.17Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 2.8Å; S55-R59 WeakPolarHBondContact O-CG 3.35Å; S55-R59 PolarHBondContact O-N 2.92Å; S55-R59 PolarHBondContact O-NH1 2.99Å; S55-R59 VanDerWaalsContact O-NH1 3.1Å; S55-R59 PolarHBondContact OG-NH1 3.07Å
56V98.4Very high97.1Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-76-36.1175.965.30000112.9Q52 L53 R54 R58 R59 T60 V265 L268 E269Q52-V56 PolarHBondContact O-N 2.82Å; L53-V56 HydrophobicContact CD1-CG1 4.07Å; L53-V56 WeakPolarHBondContact O-CG1 3.42Å; L53-V56 PolarHBondContact O-N 2.84Å; R54-V56 VanDerWaalsContact C-N 3.3Å; R54-V56 PolarHBondContact O-N 3.29Å; V56-R58 VanDerWaalsContact C-N 3.31Å; V56-R58 PolarHBondContact O-N 3.35Å; V56-R59 VanDerWaalsContact CA-CZ 3.48Å; V56-R59 HydrophobicContact CG2-CG 4.48Å; V56-R59 WeakPolarHBondContact O-CG 3.29Å; V56-R59 PolarHBondContact O-N 3.39Å; V56-T60 HydrophobicContact CG2-CG2 3.81Å; V56-T60 WeakPolarHBondContact O-CB 3.42Å; V56-T60 VanDerWaalsContact O-CG2 3.29Å; V56-T60 WeakPolarHBondContact O-CG2 3.27Å; V56-T60 PolarHBondContact O-N 3.47Å; V56-T60 PolarHBondContact O-OG1 3.31Å; V56-V265 HydrophobicContact CB-CG1 3.68Å; V56-V265 HydrophobicContact CG1-CB 4.18Å; V56-V265 HydrophobicContact CG1-CG1 3.73Å; V56-V265 HydrophobicContact CG1-CG2 3.96Å; V56-V265 HydrophobicContact CG2-CG1 4.19Å; V56-L268 HydrophobicContact CG1-CD2 3.76Å; V56-L268 HydrophobicContact CG2-CB 4.3Å; V56-L268 HydrophobicContact CG2-CD2 4.17Å; V56-L268 HydrophobicContact CG2-CG 4.07Å; V56-E269 HydrophobicContact CG2-CB 3.77Å
57I98.6Very high97.1Very high0 Ų050.1 Ų50.10%024%0.235CC..Hα-helixtrans-56-49.3172.3-72167000109.6L53 R54 R59 T60 W61 M62 F75 P133L53-I57 HydrophobicContact CD1-CD1 4.26Å; L53-I57 HydrophobicContact CD1-CG1 4.43Å; L53-I57 HydrophobicContact CG-CD1 4.01Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.17Å; L53-I57 PolarHBondContact O-N 3.13Å; R54-I57 PolarHBondContact O-N 2.92Å; I57-R59 VanDerWaalsContact C-N 3.3Å; I57-R59 PolarHBondContact O-N 3.4Å; I57-T60 PolarHBondContact O-N 2.93Å; I57-T60 VanDerWaalsContact O-N 3.1Å; I57-T60 PolarHBondContact O-OG1 2.97Å; I57-W61 HydrophobicContact CG1-CZ2 4.48Å; I57-W61 HydrophobicContact CG2-CD2 4.35Å; I57-W61 HydrophobicContact CG2-CH2 4.02Å; I57-W61 HydrophobicContact CG2-CZ2 3.41Å; I57-W61 VanDerWaalsContact CG2-CZ2 3.41Å; I57-M62 HydrophobicContact CG2-CB 3.82Å; I57-M62 HydrophobicContact CG2-SD 4.11Å; I57-M62 WeakPolarHBondContact O-CB 3.18Å; I57-M62 PolarHBondContact O-N 2.89Å; I57-F75 HydrophobicContact CB-CE1 4.37Å; I57-F75 HydrophobicContact CB-CZ 4.08Å; I57-F75 HydrophobicContact CD1-CE1 4.18Å; I57-F75 HydrophobicContact CG2-CE1 4Å; I57-F75 HydrophobicContact CG2-CZ 3.71Å; I57-P133 HydrophobicContact CD1-CB 4.22Å
58R98.3Very high97.2Very high26 Ų2646 Ų4610%0.09822%0.221CC..Hα-helixtrans-51.4-44.7177.9-74.8-177.9-171.7104.80.9113.1R54 V56 M62 M63 F75 E88 E92 D94R54-R58 WeakPolarHBondContact O-CG 3.3Å; R54-R58 PolarHBondContact O-N 2.95Å; V56-R58 VanDerWaalsContact C-N 3.31Å; V56-R58 PolarHBondContact O-N 3.35Å; R58-M62 HydrophobicContact CB-SD 4.43Å; R58-M62 HydrophobicContact CG-CE 4.23Å; R58-M62 HydrophobicContact CG-SD 3.8Å; R58-M63 WeakPolarHBondContact O-CB 3.44Å; R58-M63 PolarHBondContact O-N 2.81Å; R58-F75 HydrophobicContact CG-CE2 3.92Å; R58-F75 HydrophobicContact CG-CZ 4.31Å; R58-E88 IonicContact CZ-OE1 2.74Å; R58-E88 IonicContact NH1-OE1 3.84Å; R58-E88 PolarHBondContact NH1-OE1 2.94Å; R58-E88 IonicContact NH2-OE1 2.72Å; R58-E88 PolarHBondContact NH2-OE1 2.94Å; R58-E92 WeakPolarHBondContact CD-OE2 3.31Å; R58-E92 IonicContact NE-OE2 2.69Å; R58-D94 IonicContact CZ-OD1 3.16Å; R58-D94 IonicContact CZ-OD2 3.17Å; R58-D94 IonicContact NE-OD1 3.72Å; R58-D94 PolarHBondContact NE-OD1 2.97Å; R58-D94 IonicContact NE-OD2 3.68Å; R58-D94 PolarHBondContact NE-OD2 2.71Å; R58-D94 IonicContact NH2-OD1 3.66Å; R58-D94 PolarHBondContact NH2-OD1 2.71Å; R58-D94 IonicContact NH2-OD2 3.79Å; R58-D94 PolarHBondContact NH2-OD2 2.89Å
59R97.2Very high97.4Very high100 Ų10049.5 Ų49.538%0.37724%0.243SC..Hα-helixtrans-91.11.7-177.468.7-167.8-179.2-110.65.7115.1S55 V56 I57 E269S55-R59 WeakPolarHBondContact O-CG 3.35Å; S55-R59 PolarHBondContact O-N 2.92Å; S55-R59 PolarHBondContact O-NH1 2.99Å; S55-R59 VanDerWaalsContact O-NH1 3.1Å; S55-R59 PolarHBondContact OG-NH1 3.07Å; V56-R59 VanDerWaalsContact CA-CZ 3.48Å; V56-R59 HydrophobicContact CG2-CG 4.48Å; V56-R59 WeakPolarHBondContact O-CG 3.29Å; V56-R59 PolarHBondContact O-N 3.39Å; I57-R59 VanDerWaalsContact C-N 3.3Å; I57-R59 PolarHBondContact O-N 3.4Å; R59-E269 IonicContact CZ-OE2 3.89Å; R59-E269 VanDerWaalsContact CZ-OE2 3.23Å; R59-E269 VanDerWaalsContact NE-CD 3.29Å; R59-E269 IonicContact NE-OE1 2.94Å; R59-E269 IonicContact NE-OE2 2.73Å; R59-E269 PolarHBondContact NE-OE2 3.05Å; R59-E269 IonicContact NH2-OE2 3.89Å; R59-E269 PolarHBondContact NH2-OE2 2.91Å
60T98.3Very high97.6Very high3 Ų347.4 Ų47.42%0.01823%0.23CC..THydrogen-bonded Turntrans-113.1-112.1177.455.40000110.4V56 I57 M62 M63 E269 W272V56-T60 HydrophobicContact CG2-CG2 3.81Å; V56-T60 WeakPolarHBondContact O-CB 3.42Å; V56-T60 VanDerWaalsContact O-CG2 3.29Å; V56-T60 WeakPolarHBondContact O-CG2 3.27Å; V56-T60 PolarHBondContact O-N 3.47Å; V56-T60 PolarHBondContact O-OG1 3.31Å; I57-T60 PolarHBondContact O-N 2.93Å; I57-T60 VanDerWaalsContact O-N 3.1Å; I57-T60 PolarHBondContact O-OG1 2.97Å; T60-M62 VanDerWaalsContact C-N 3.33Å; T60-M62 PolarHBondContact O-N 3.29Å; T60-M63 WeakPolarHBondContact O-CB 3.27Å; T60-M63 PolarHBondContact O-N 3.27Å; T60-E269 HydrophobicContact CG2-CB 4.47Å; T60-E269 HydrophobicContact CG2-CG 4.5Å; T60-W272 VanDerWaalsContact CA-CD1 3.48Å; T60-W272 HydrophobicContact CG2-CB 3.74Å; T60-W272 HydrophobicContact CG2-CG 3.86Å; T60-W272 PolarHBondContact O-NE1 2.9Å
61W98.1Very high97.8Very high0 Ų045.6 Ų45.60%022%0.219CC..Hα-helixtrans-70-30.8-172.564.5-102.6000112.6V44 I57 M63 D64 F65 V135 A136 L137 W272V44-W61 HydrophobicContact CG2-CH2 3.72Å; V44-W61 HydrophobicContact CG2-CZ2 4.18Å; I57-W61 HydrophobicContact CG1-CZ2 4.48Å; I57-W61 HydrophobicContact CG2-CD2 4.35Å; I57-W61 HydrophobicContact CG2-CH2 4.02Å; I57-W61 HydrophobicContact CG2-CZ2 3.41Å; I57-W61 VanDerWaalsContact CG2-CZ2 3.41Å; W61-M63 VanDerWaalsContact C-N 3.26Å; W61-M63 PolarHBondContact O-N 3.28Å; W61-D64 WeakPolarHBondContact O-CB 3.32Å; W61-D64 PolarHBondContact O-N 2.91Å; W61-F65 AromaticContact CE3-CD2 3.91Å; W61-F65 HydrophobicContact CE3-CD2 3.91Å; W61-F65 AromaticContact CE3-CE2 3.84Å; W61-F65 HydrophobicContact CE3-CE2 3.84Å; W61-F65 HydrophobicContact CZ3-CD2 4.24Å; W61-F65 HydrophobicContact CZ3-CE2 4.32Å; W61-F65 VanDerWaalsContact O-CD2 3.23Å; W61-F65 WeakPolarHBondContact O-CD2 3.29Å; W61-V135 PolarHBondContact NE1-O 3.17Å; W61-A136 HydrophobicContact CG-CB 4.38Å; W61-L137 HydrophobicContact CD2-CB 4.46Å; W61-L137 HydrophobicContact CE3-CB 3.88Å; W61-L137 HydrophobicContact CE3-CD1 4.44Å; W61-L137 HydrophobicContact CE3-CG 4.33Å; W61-L137 HydrophobicContact CH2-CD1 4.14Å; W61-L137 HydrophobicContact CH2-CG 4.38Å; W61-L137 HydrophobicContact CZ3-CB 4.09Å; W61-L137 HydrophobicContact CZ3-CD1 3.8Å; W61-L137 HydrophobicContact CZ3-CG 4.09Å; W61-W272 HydrophobicContact CB-CD2 4.29Å; W61-W272 HydrophobicContact CB-CE3 4.16Å; W61-W272 HydrophobicContact CB-CH2 3.32Å; W61-W272 HydrophobicContact CB-CZ2 3.43Å; W61-W272 VanDerWaalsContact CB-CZ2 3.43Å; W61-W272 HydrophobicContact CB-CZ3 3.71Å
62M98.6Very high97.9Very high6 Ų642.1 Ų42.13%0.0321%0.207CC..Hα-helixtrans-65-33.7179.6179.4174.9169.800111.6I57 R58 T60 D64 F65 V66 V73 F75 D94I57-M62 HydrophobicContact CG2-CB 3.82Å; I57-M62 HydrophobicContact CG2-SD 4.11Å; I57-M62 WeakPolarHBondContact O-CB 3.18Å; I57-M62 PolarHBondContact O-N 2.89Å; R58-M62 HydrophobicContact CB-SD 4.43Å; R58-M62 HydrophobicContact CG-CE 4.23Å; R58-M62 HydrophobicContact CG-SD 3.8Å; T60-M62 VanDerWaalsContact C-N 3.33Å; T60-M62 PolarHBondContact O-N 3.29Å; M62-D64 VanDerWaalsContact C-N 3.26Å; M62-D64 PolarHBondContact O-N 2.69Å; M62-F65 PolarHBondContact O-N 3.08Å; M62-V66 HydrophobicContact CE-CG2 4.12Å; M62-V66 HydrophobicContact CG-CG2 3.96Å; M62-V66 WeakPolarHBondContact O-CG2 3.33Å; M62-V66 PolarHBondContact O-N 3.28Å; M62-V73 HydrophobicContact CE-CB 3.77Å; M62-V73 HydrophobicContact CE-CG1 3.8Å; M62-V73 HydrophobicContact CG-CB 4.16Å; M62-V73 HydrophobicContact CG-CG1 3.85Å; M62-V73 HydrophobicContact CG-CG2 4.46Å; M62-V73 HydrophobicContact SD-CB 4.48Å; M62-V73 HydrophobicContact SD-CG1 3.97Å; M62-F75 HydrophobicContact CE-CE2 4.01Å; M62-F75 HydrophobicContact SD-CE2 3.7Å; M62-F75 HydrophobicContact SD-CZ 3.68Å; M62-D94 WeakPolarHBondContact CE-OD2 3.27Å
63M98Very high97.9Very high83 Ų8336.3 Ų36.341%0.40918%0.181SC..Hα-helixtrans-56.4-42.4177.5-169.564.4-173.700111.4R58 T60 W61 F65 V66 E67R58-M63 WeakPolarHBondContact O-CB 3.44Å; R58-M63 PolarHBondContact O-N 2.81Å; T60-M63 WeakPolarHBondContact O-CB 3.27Å; T60-M63 PolarHBondContact O-N 3.27Å; W61-M63 VanDerWaalsContact C-N 3.26Å; W61-M63 PolarHBondContact O-N 3.28Å; M63-F65 PolarHBondContact O-N 2.94Å; M63-V66 PolarHBondContact O-N 3.46Å; M63-E67 HydrophobicContact CE-CG 3.73Å; M63-E67 WeakPolarHBondContact CE-OE1 3.48Å; M63-E67 HydrophobicContact CG-CG 4.35Å; M63-E67 WeakPolarHBondContact O-CG 3.41Å; M63-E67 PolarHBondContact O-N 2.81Å; M63-E67 HydrophobicContact SD-CG 4.46Å
64D97.5Very high98Very high25 Ų2535.2 Ų35.213%0.13418%0.175CC..Hα-helixtrans-56.2-38.4177.9-75.7-20.8000111W61 M62 K139 K276W61-D64 WeakPolarHBondContact O-CB 3.32Å; W61-D64 PolarHBondContact O-N 2.91Å; M62-D64 VanDerWaalsContact C-N 3.26Å; M62-D64 PolarHBondContact O-N 2.69Å; D64-K139 HydrophobicContact CB-CB 4.27Å; D64-K139 HydrophobicContact CB-CD 4.49Å; D64-K139 WeakPolarHBondContact O-CD 3.34Å; D64-K139 WeakPolarHBondContact O-CE 3.16Å; D64-K139 PolarHBondContact O-NZ 3.28Å; D64-K276 IonicContact OD1-NZ 3.28Å; D64-K276 PolarHBondContact OD1-NZ 3.39Å; D64-K276 IonicContact OD2-NZ 2.69Å; D64-K276 PolarHBondContact OD2-NZ 3.35Å
65F98.5Very high98Very high1 Ų135.2 Ų35.20%0.00418%0.175CC..Hα-helixtrans-77.5-43.1178.7-65.3-86.4000112.2L42 W61 M62 M63 E67 D68 F71 V73 L137 K139 L142L42-F65 HydrophobicContact CD2-CB 4.17Å; L42-F65 HydrophobicContact CD2-CD1 3.5Å; L42-F65 VanDerWaalsContact CD2-CD1 3.5Å; L42-F65 HydrophobicContact CD2-CD2 4.02Å; L42-F65 HydrophobicContact CD2-CE1 3.78Å; L42-F65 HydrophobicContact CD2-CE2 4.31Å; L42-F65 HydrophobicContact CD2-CG 3.61Å; L42-F65 HydrophobicContact CD2-CZ 4.18Å; W61-F65 AromaticContact CE3-CD2 3.91Å; W61-F65 HydrophobicContact CE3-CD2 3.91Å; W61-F65 AromaticContact CE3-CE2 3.84Å; W61-F65 HydrophobicContact CE3-CE2 3.84Å; W61-F65 HydrophobicContact CZ3-CD2 4.24Å; W61-F65 HydrophobicContact CZ3-CE2 4.32Å; W61-F65 VanDerWaalsContact O-CD2 3.23Å; W61-F65 WeakPolarHBondContact O-CD2 3.29Å; M62-F65 PolarHBondContact O-N 3.08Å; M63-F65 PolarHBondContact O-N 2.94Å; F65-E67 VanDerWaalsContact C-N 3.28Å; F65-E67 PolarHBondContact O-N 2.96Å; F65-D68 PolarHBondContact O-N 3.34Å; F65-D68 VanDerWaalsContact O-O 3.11Å; F65-F71 HydrophobicContact CB-CB 4.29Å; F65-F71 HydrophobicContact CB-CD1 4.48Å; F65-F71 HydrophobicContact CB-CG 4.35Å; F65-F71 AromaticContact CD1-CD1 3.64Å; F65-F71 HydrophobicContact CD1-CD1 3.64Å; F65-F71 AromaticContact CD1-CE1 3.63Å; F65-F71 HydrophobicContact CD1-CE1 3.63Å; F65-F71 HydrophobicContact CD1-CG 4.12Å; F65-F71 HydrophobicContact CD1-CZ 4.07Å; F65-F71 HydrophobicContact CE1-CD1 4.44Å; F65-F71 HydrophobicContact CE1-CE1 4.02Å; F65-F71 HydrophobicContact CE1-CZ 4.38Å; F65-F71 WeakPolarHBondContact O-CB 3.27Å; F65-V73 HydrophobicContact CB-CG2 3.74Å; F65-L137 HydrophobicContact CE2-CB 3.6Å; F65-L137 HydrophobicContact CZ-CB 3.62Å; F65-K139 HydrophobicContact CD1-CB 4.14Å; F65-K139 HydrophobicContact CD1-CD 4.45Å; F65-K139 HydrophobicContact CD1-CG 4.12Å; F65-K139 HydrophobicContact CE1-CB 3.72Å; F65-K139 HydrophobicContact CE1-CG 3.99Å; F65-K139 HydrophobicContact CE2-CB 4.14Å; F65-K139 VanDerWaalsContact CZ-CA 3.47Å; F65-K139 HydrophobicContact CZ-CB 3.72Å; F65-K139 HydrophobicContact CZ-CG 4.5Å; F65-L142 HydrophobicContact CE1-CD2 3.89Å
66V97.1Very high98Very high76 Ų7633.2 Ų33.246%0.46116%0.161SC..Hα-helixtrans-63.4-33.3-178172.60000112.3M62 M63 D68 V73M62-V66 HydrophobicContact CE-CG2 4.12Å; M62-V66 HydrophobicContact CG-CG2 3.96Å; M62-V66 WeakPolarHBondContact O-CG2 3.33Å; M62-V66 PolarHBondContact O-N 3.28Å; M63-V66 PolarHBondContact O-N 3.46Å; V66-D68 PolarHBondContact O-N 2.75Å; V66-V73 HydrophobicContact CG2-CB 4.39Å; V66-V73 HydrophobicContact CG2-CG2 4.19Å
67E97.2Very high98Very high126 Ų12633.2 Ų33.259%0.58916%0.161SC*.THydrogen-bonded Turntrans-66.8-23.5174.6-71.9-179.1159.300113.6M63 F65 V69M63-E67 HydrophobicContact CE-CG 3.73Å; M63-E67 WeakPolarHBondContact CE-OE1 3.48Å; M63-E67 HydrophobicContact CG-CG 4.35Å; M63-E67 WeakPolarHBondContact O-CG 3.41Å; M63-E67 PolarHBondContact O-N 2.81Å; M63-E67 HydrophobicContact SD-CG 4.46Å; F65-E67 VanDerWaalsContact C-N 3.28Å; F65-E67 PolarHBondContact O-N 2.96Å; E67-V69 PolarHBondContact O-N 2.79Å
68D97.6Very high97.8Very high25 Ų2533.2 Ų33.213%0.13416%0.161CC..SBendtrans-90.2103.1173.8-174.9-27.1000109.2F65 V66 R70 F71 K139F65-D68 PolarHBondContact O-N 3.34Å; F65-D68 VanDerWaalsContact O-O 3.11Å; V66-D68 PolarHBondContact O-N 2.75Å; D68-R70 PolarHBondContact O-N 3.2Å; D68-R70 WeakPolarHBondContact OD1-CB 3.39Å; D68-R70 WeakPolarHBondContact OD1-CG 3.49Å; D68-R70 IonicContact OD1-CZ 3.61Å; D68-R70 PolarHBondContact OD1-N 3.18Å; D68-R70 IonicContact OD1-NE 3.1Å; D68-R70 PolarHBondContact OD1-NE 3.5Å; D68-R70 IonicContact OD1-NH2 3.38Å; D68-R70 IonicContact OD2-CZ 3.16Å; D68-R70 IonicContact OD2-NE 2.81Å; D68-R70 PolarHBondContact OD2-NE 3.26Å; D68-R70 IonicContact OD2-NH2 2.88Å; D68-R70 PolarHBondContact OD2-NH2 2.97Å; D68-F71 HydrophobicContact CB-CD2 3.67Å; D68-F71 HydrophobicContact CB-CE2 4.16Å; D68-F71 PolarHBondContact O-N 2.75Å; D68-F71 WeakPolarHBondContact OD2-CE2 3.22Å; D68-K139 HydrophobicContact CB-CD 4.27Å
69V97.2Very high97.4Very high101 Ų10132.1 Ų32.161%0.61216%0.158SC*.THydrogen-bonded Turntrans-52.5-16.4-175.7-60.10000114.8I37 H38 E67 F71I37-V69 HydrophobicContact CG2-CB 4.2Å; I37-V69 HydrophobicContact CG2-CG2 4.44Å; I37-V69 WeakPolarHBondContact CG2-O 3.36Å; H38-V69 PolarHBondContact CD2-O 3.32Å; H38-V69 VanDerWaalsContact CD2-O 3.23Å; E67-V69 PolarHBondContact O-N 2.79Å; V69-F71 PolarHBondContact O-N 3.27Å
70R97.4Very high96.9Very high81 Ų8132.5 Ų32.531%0.30617%0.173SC..THydrogen-bonded Turntrans-74.7-17176.1-58.7174.9-64.81690.7113I37 H38 R39 Y40 D68I37-R70 WeakPolarHBondContact O-CA 3.32Å; H38-R70 CarbonylContact C-O 3.57Å; H38-R70 WeakPolarHBondContact CA-O 3.4Å; R39-R70 PolarHBondContact N-O 3.37Å; Y40-R70 HydrophobicContact CD2-CB 4.04Å; Y40-R70 HydrophobicContact CE2-CB 4.19Å; Y40-R70 PolarHBondContact N-O 3.37Å; Y40-R70 VanDerWaalsContact N-O 3.07Å; D68-R70 PolarHBondContact O-N 3.2Å; D68-R70 WeakPolarHBondContact OD1-CB 3.39Å; D68-R70 WeakPolarHBondContact OD1-CG 3.49Å; D68-R70 IonicContact OD1-CZ 3.61Å; D68-R70 PolarHBondContact OD1-N 3.18Å; D68-R70 IonicContact OD1-NE 3.1Å; D68-R70 PolarHBondContact OD1-NE 3.5Å; D68-R70 IonicContact OD1-NH2 3.38Å; D68-R70 IonicContact OD2-CZ 3.16Å; D68-R70 IonicContact OD2-NE 2.81Å; D68-R70 PolarHBondContact OD2-NE 3.26Å; D68-R70 IonicContact OD2-NH2 2.88Å; D68-R70 PolarHBondContact OD2-NH2 2.97Å
71F98.5Very high96.5Very high6 Ų634.9 Ų34.93%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-98.4142.5-177.2-70.7-94000111.3H38 Y40 L42 F65 D68 V69 L142 L143H38-F71 PolarHBondContact CD2-O 3.01Å; H38-F71 VanDerWaalsContact CD2-O 3.31Å; Y40-F71 VanDerWaalsContact CB-CD1 3.46Å; Y40-F71 VanDerWaalsContact CB-CE1 3.45Å; Y40-F71 HydrophobicContact CD2-CD1 4.18Å; Y40-F71 HydrophobicContact CD2-CD2 4.06Å; Y40-F71 AromaticContact CD2-CE1 3.75Å; Y40-F71 HydrophobicContact CD2-CE1 3.75Å; Y40-F71 AromaticContact CD2-CE2 3.63Å; Y40-F71 HydrophobicContact CD2-CE2 3.63Å; Y40-F71 HydrophobicContact CD2-CG 4.34Å; Y40-F71 AromaticContact CD2-CZ 3.46Å; Y40-F71 HydrophobicContact CD2-CZ 3.46Å; Y40-F71 VanDerWaalsContact CD2-CZ 3.46Å; Y40-F71 HydrophobicContact CE2-CE2 4.28Å; Y40-F71 HydrophobicContact CE2-CZ 4.22Å; Y40-F71 HydrophobicContact CG-CD1 4.29Å; Y40-F71 AromaticContact CG-CE1 3.92Å; Y40-F71 HydrophobicContact CG-CE1 3.92Å; Y40-F71 HydrophobicContact CG-CZ 4.09Å; Y40-F71 CarbonylContact O-C 3.59Å; Y40-F71 VanDerWaalsContact O-CA 3.27Å; Y40-F71 WeakPolarHBondContact O-CA 3.41Å; L42-F71 HydrophobicContact CD1-CD1 3.59Å; L42-F71 HydrophobicContact CD1-CE1 3.95Å; L42-F71 HydrophobicContact CD2-CD1 4.49Å; F65-F71 HydrophobicContact CB-CB 4.29Å; F65-F71 HydrophobicContact CB-CD1 4.48Å; F65-F71 HydrophobicContact CB-CG 4.35Å; F65-F71 AromaticContact CD1-CD1 3.64Å; F65-F71 HydrophobicContact CD1-CD1 3.64Å; F65-F71 AromaticContact CD1-CE1 3.63Å; F65-F71 HydrophobicContact CD1-CE1 3.63Å; F65-F71 HydrophobicContact CD1-CG 4.12Å; F65-F71 HydrophobicContact CD1-CZ 4.07Å; F65-F71 HydrophobicContact CE1-CD1 4.44Å; F65-F71 HydrophobicContact CE1-CE1 4.02Å; F65-F71 HydrophobicContact CE1-CZ 4.38Å; F65-F71 WeakPolarHBondContact O-CB 3.27Å; D68-F71 HydrophobicContact CB-CD2 3.67Å; D68-F71 HydrophobicContact CB-CE2 4.16Å; D68-F71 PolarHBondContact O-N 2.75Å; D68-F71 WeakPolarHBondContact OD2-CE2 3.22Å; V69-F71 PolarHBondContact O-N 3.27Å; F71-L142 HydrophobicContact CE1-CD2 3.89Å; F71-L142 HydrophobicContact CZ-CD2 4.28Å; F71-L143 HydrophobicContact CE2-CD2 4.04Å; F71-L143 HydrophobicContact CZ-CD2 3.83Å; F71-L143 HydrophobicContact CZ-CG 4.41Å
72K98.3Very high96.2Very high27 Ų2737.6 Ų37.612%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-120.8128.2161.5-178.8146.9-169.5137.80108.5L31 P32 H38 Y40 I41 L42 W117L31-K72 WeakPolarHBondContact O-CE 3.36Å; L31-K72 PolarHBondContact O-NZ 2.68Å; P32-K72 PolarHBondContact O-NZ 3.42Å; H38-K72 HydrophobicContact CB-CB 4.3Å; Y40-K72 PolarHBondContact O-N 2.67Å; I41-K72 CarbonylContact C-O 3.55Å; I41-K72 WeakPolarHBondContact CA-O 3.43Å; I41-K72 HydrophobicContact CD1-CB 3.93Å; L42-K72 PolarHBondContact N-O 2.94Å; K72-W117 HydrophobicContact CD-CH2 4.33Å
73V98.6Very high96Very high11 Ų1145.2 Ų45.27%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-120.6136.1178.7-165.20000108.8L42 M62 F65 V66L42-V73 HydrophobicContact CB-CB 4.27Å; L42-V73 HydrophobicContact CB-CG1 3.85Å; L42-V73 HydrophobicContact CB-CG2 4.04Å; L42-V73 HydrophobicContact CD2-CG2 4.09Å; L42-V73 VanDerWaalsContact O-CA 3.31Å; L42-V73 WeakPolarHBondContact O-CA 3.38Å; M62-V73 HydrophobicContact CE-CB 3.77Å; M62-V73 HydrophobicContact CE-CG1 3.8Å; M62-V73 HydrophobicContact CG-CB 4.16Å; M62-V73 HydrophobicContact CG-CG1 3.85Å; M62-V73 HydrophobicContact CG-CG2 4.46Å; M62-V73 HydrophobicContact SD-CB 4.48Å; M62-V73 HydrophobicContact SD-CG1 3.97Å; F65-V73 HydrophobicContact CB-CG2 3.74Å; V66-V73 HydrophobicContact CG2-CB 4.39Å; V66-V73 HydrophobicContact CG2-CG2 4.19Å
74F98.7Very high95.9Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-148.9154.9176.165.2-87.7000112.3P30 I41 L42 F43 V44 V76 D94 L96 A114 W117 I118P30-F74 HydrophobicContact CB-CB 4.39Å; P30-F74 HydrophobicContact CG-CB 4.11Å; P30-F74 HydrophobicContact CG-CD2 4.31Å; P30-F74 HydrophobicContact CG-CG 4.21Å; I41-F74 HydrophobicContact CG2-CD1 4.31Å; I41-F74 HydrophobicContact CG2-CE1 3.61Å; L42-F74 PolarHBondContact O-N 3.18Å; L42-F74 VanDerWaalsContact O-N 3.1Å; F43-F74 CarbonylContact C-O 3.57Å; F43-F74 WeakPolarHBondContact CA-O 3.47Å; F43-F74 HydrophobicContact CB-CD1 4.22Å; F43-F74 HydrophobicContact CB-CD2 4.01Å; F43-F74 HydrophobicContact CB-CE1 3.86Å; F43-F74 HydrophobicContact CB-CE2 3.63Å; F43-F74 HydrophobicContact CB-CG 4.29Å; F43-F74 HydrophobicContact CB-CZ 3.54Å; F43-F74 HydrophobicContact CG-CE2 4.43Å; F43-F74 HydrophobicContact CG-CZ 4.23Å; V44-F74 PolarHBondContact N-O 2.84Å; F74-V76 HydrophobicContact CD2-CG2 4.07Å; F74-V76 HydrophobicContact CE2-CG2 3.75Å; F74-D94 CarbonylContact C-O 3.42Å; F74-D94 WeakPolarHBondContact CA-O 3.34Å; F74-D94 WeakPolarHBondContact CB-O 3.49Å; F74-L96 HydrophobicContact CD2-CB 4.03Å; F74-L96 HydrophobicContact CE2-CB 4.16Å; F74-L96 HydrophobicContact CE2-CD2 4.07Å; F74-A114 HydrophobicContact CE2-CB 4.36Å; F74-A114 HydrophobicContact CZ-CB 4.43Å; F74-W117 HydrophobicContact CD1-CE3 4.5Å; F74-W117 HydrophobicContact CD1-CZ3 4.03Å; F74-W117 AromaticContact CE1-CE3 3.78Å; F74-W117 HydrophobicContact CE1-CE3 3.78Å; F74-W117 AromaticContact CE1-CZ3 3.59Å; F74-W117 HydrophobicContact CE1-CZ3 3.59Å; F74-W117 HydrophobicContact CE2-CE3 4.31Å; F74-W117 AromaticContact CZ-CE3 3.68Å; F74-W117 HydrophobicContact CZ-CE3 3.68Å; F74-W117 AromaticContact CZ-CZ3 4Å; F74-W117 HydrophobicContact CZ-CZ3 4Å; F74-I118 HydrophobicContact CE1-CD1 4.34Å; F74-I118 HydrophobicContact CE1-CG1 4.15Å; F74-I118 HydrophobicContact CZ-CD1 4.09Å; F74-I118 HydrophobicContact CZ-CG1 3.95Å
75F98.7Very high95.7Very high1 Ų146.5 Ų46.50%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-92.3151.3173.5-63.6-80.7000111V44 R54 I57 R58 M62 D94 I95 L96V44-F75 HydrophobicContact CB-CD1 3.71Å; V44-F75 HydrophobicContact CB-CE1 3.93Å; V44-F75 HydrophobicContact CG1-CD1 3.96Å; V44-F75 HydrophobicContact CG1-CE1 4.01Å; V44-F75 HydrophobicContact CG2-CE1 4.43Å; V44-F75 WeakPolarHBondContact O-CA 3.15Å; R54-F75 HydrophobicContact CB-CD1 4.47Å; R54-F75 HydrophobicContact CB-CE1 4.13Å; R54-F75 HydrophobicContact CB-CE2 4.17Å; R54-F75 HydrophobicContact CB-CZ 3.95Å; R54-F75 HydrophobicContact CG-CD1 3.7Å; R54-F75 HydrophobicContact CG-CD2 4.33Å; R54-F75 HydrophobicContact CG-CE1 3.74Å; R54-F75 HydrophobicContact CG-CE2 4.35Å; R54-F75 HydrophobicContact CG-CG 4.01Å; R54-F75 HydrophobicContact CG-CZ 4.06Å; I57-F75 HydrophobicContact CB-CE1 4.37Å; I57-F75 HydrophobicContact CB-CZ 4.08Å; I57-F75 HydrophobicContact CD1-CE1 4.18Å; I57-F75 HydrophobicContact CG2-CE1 4Å; I57-F75 HydrophobicContact CG2-CZ 3.71Å; R58-F75 HydrophobicContact CG-CE2 3.92Å; R58-F75 HydrophobicContact CG-CZ 4.31Å; M62-F75 HydrophobicContact CE-CE2 4.01Å; M62-F75 HydrophobicContact SD-CE2 3.7Å; M62-F75 HydrophobicContact SD-CZ 3.68Å; F75-D94 WeakPolarHBondContact CE2-OD2 3.41Å; F75-D94 PolarHBondContact N-O 2.97Å; F75-I95 HydrophobicContact CB-CG1 4.34Å; F75-L96 PolarHBondContact O-N 3.02Å
76V98.3Very high95.6Very high0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-117.7115.6172.7-165.80000109.6F43 V44 P45 S46 F74 L96 K110 A114F43-V76 HydrophobicContact CB-CG2 4.24Å; F43-V76 HydrophobicContact CD2-CG2 3.84Å; F43-V76 HydrophobicContact CG-CG2 4.43Å; V44-V76 PolarHBondContact O-N 2.92Å; P45-V76 WeakPolarHBondContact CA-O 3.4Å; S46-V76 PolarHBondContact N-O 2.95Å; F74-V76 HydrophobicContact CD2-CG2 4.07Å; F74-V76 HydrophobicContact CE2-CG2 3.75Å; V76-L96 CarbonylContact C-O 3.43Å; V76-L96 VanDerWaalsContact CA-O 3.3Å; V76-L96 WeakPolarHBondContact CA-O 3.41Å; V76-L96 HydrophobicContact CG1-CB 4.49Å; V76-L96 HydrophobicContact CG1-CD2 4.2Å; V76-L96 HydrophobicContact CG1-CG 4.41Å; V76-L96 HydrophobicContact CG2-CD2 4.41Å; V76-K110 HydrophobicContact CB-CB 4.27Å; V76-K110 HydrophobicContact CG1-CB 3.68Å; V76-K110 HydrophobicContact CG1-CG 4.05Å; V76-A114 HydrophobicContact CG2-CB 4.01Å
77L97.3Very high95.5Very high0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-109.4149.3-179.7-58.1-172.1000110.4S46 T48 V85 I95 L96 Q97 I98S46-L77 VanDerWaalsContact O-CD2 3.31Å; S46-L77 WeakPolarHBondContact O-CD2 3.4Å; S46-L77 WeakPolarHBondContact OG-CD2 3.46Å; T48-L77 HydrophobicContact CG2-CB 4.09Å; T48-L77 HydrophobicContact CG2-CD1 4.34Å; L77-V85 HydrophobicContact CD1-CG1 4.32Å; L77-I95 HydrophobicContact CB-CG2 4.42Å; L77-I95 HydrophobicContact CD1-CD1 4.14Å; L77-I95 HydrophobicContact CD1-CG1 4.44Å; L77-I95 HydrophobicContact CD1-CG2 3.76Å; L77-I95 HydrophobicContact CG-CG2 3.92Å; L77-L96 PolarHBondContact N-O 2.59Å; L77-Q97 HydrophobicContact CB-CG 4.27Å; L77-Q97 WeakPolarHBondContact O-CA 3.36Å; L77-I98 WeakPolarHBondContact O-CG1 3.46Å; L77-I98 PolarHBondContact O-N 2.95Å
78A93.8Very high95.5Very high0 Ų045.6 Ų45.60%023%0.226CC..EExtended strand (participates in β ladder)trans-123.6148.5170.200000108.7T48 I98 T100 D102 K110T48-A78 WeakPolarHBondContact CG2-O 3.43Å; A78-I98 WeakPolarHBondContact CA-O 3.47Å; A78-I98 HydrophobicContact CB-CD1 4.36Å; A78-I98 HydrophobicContact CB-CG1 4Å; A78-T100 CarbonylContact C-O 3.6Å; A78-T100 HydrophobicContact CB-CG2 3.57Å; A78-D102 HydrophobicContact CB-CB 4.19Å; A78-D102 VanDerWaalsContact O-CB 3.28Å; A78-D102 WeakPolarHBondContact O-CB 3.15Å; A78-K110 HydrophobicContact CB-CD 4.42Å; A78-K110 HydrophobicContact CB-CG 4.27Å
79G90.4Very high95.5Very high3 Ų345 Ų453%0.03122%0.223CC..SBendtrans115.9177.8172.500000113.1Q97 I98 T100G79-Q97 PolarHBondContact O-NE2 3.29Å; G79-I98 PolarHBondContact N-O 3Å; G79-T100 WeakPolarHBondContact CA-O 3.18Å; G79-T100 PolarHBondContact N-O 3.1Å
80P87Confident95.4Very high107 Ų10745.3 Ų45.370%0.69522%0.218SC*.  trans-64.1148.2-177.228.6-35.2000111.4S82P80-S82 PolarHBondContact O-N 2.93Å
81T89.9Confident95.4Very high54 Ų5446.5 Ų46.533%0.33123%0.23SC..  trans-76.7102.5174.3-53.10000109.9V85 E86 Q97T81-V85 HydrophobicContact CG2-CG1 4.45Å; T81-E86 HydrophobicContact CG2-CB 3.87Å; T81-E86 WeakPolarHBondContact CG2-OE2 3.48Å; T81-Q97 PolarHBondContact OG1-NE2 2.95Å; T81-Q97 PolarHBondContact OG1-OE1 2.97Å; T81-Q97 VanDerWaalsContact OG1-OE1 3.13Å
82S92.7Very high95.3Very high56 Ų5650.1 Ų50.139%0.39225%0.247SC..  trans-75.6161.9166.778.30000110.6P80 E84 V85 E86P80-S82 PolarHBondContact O-N 2.93Å; S82-E84 PolarHBondContact O-N 2.92Å; S82-V85 PolarHBondContact O-N 3.35Å; S82-V85 VanDerWaalsContact O-N 3.16Å; S82-V85 WeakPolarHBondContact OG-CG2 3.05Å; S82-V85 PolarHBondContact OG-N 3.47Å; S82-E86 PolarHBondContact O-N 3.01Å
83Y94.6Very high95.1Very high167 Ų16754.9 Ų54.966%0.65527%0.268SS*.Hα-helixtrans-57.1-36175.7176.2-106.3000113.1R87Y83-R87 VanDerWaalsContact CZ-NH2 3.31Å; Y83-R87 WeakPolarHBondContact O-CB 3.17Å; Y83-R87 PolarHBondContact O-N 2.95Å; Y83-R87 VanDerWaalsContact O-N 3.11Å; Y83-R87 PolarHBondContact OH-NH2 2.96Å
84E94.2Very high95.1Very high129 Ų12955.1 Ų55.160%0.60327%0.269SS*.Hα-helixtrans-70.9-38.9177.8-61.9-175.1166.400112.4S82 R87 E88S82-E84 PolarHBondContact O-N 2.92Å; E84-R87 PolarHBondContact O-N 2.92Å; E84-E88 PolarHBondContact O-N 3.26Å
85V94.3Very high95.1Very high5 Ų555.2 Ų55.23%0.0327%0.269CS..Hα-helixtrans-66.2-44.8175.6170.10000110.3T48 L77 T81 S82 R87 E88 I89T48-V85 HydrophobicContact CG2-CG2 4.36Å; L77-V85 HydrophobicContact CD1-CG1 4.32Å; T81-V85 HydrophobicContact CG2-CG1 4.45Å; S82-V85 PolarHBondContact O-N 3.35Å; S82-V85 VanDerWaalsContact O-N 3.16Å; S82-V85 WeakPolarHBondContact OG-CG2 3.05Å; S82-V85 PolarHBondContact OG-N 3.47Å; V85-R87 VanDerWaalsContact C-N 3.32Å; V85-R87 PolarHBondContact O-N 3.38Å; V85-E88 WeakPolarHBondContact O-CB 3.19Å; V85-E88 PolarHBondContact O-N 2.78Å; V85-E88 VanDerWaalsContact O-N 3.15Å; V85-I89 HydrophobicContact CG1-CD1 3.69Å; V85-I89 HydrophobicContact CG1-CG1 4.35Å; V85-I89 VanDerWaalsContact O-CG1 3.29Å; V85-I89 WeakPolarHBondContact O-CG1 3.31Å; V85-I89 PolarHBondContact O-N 2.82Å
86E95.2Very high95.1Very high56 Ų5655.1 Ų55.126%0.26227%0.269SS..Hα-helixtrans-57-47.7175.8-176.357.8-146.300111H28 T81 S82 E88 I89 Q90H28-E86 IonicContact CE1-OE1 3.94Å; H28-E86 IonicContact CE1-OE2 2.79Å; H28-E86 PolarHBondContact CE1-OE2 3.48Å; H28-E86 IonicContact NE2-OE2 2.74Å; H28-E86 PolarHBondContact NE2-OE2 3.28Å; H28-E86 VanDerWaalsContact NE2-OE2 3.17Å; T81-E86 HydrophobicContact CG2-CB 3.87Å; T81-E86 WeakPolarHBondContact CG2-OE2 3.48Å; S82-E86 PolarHBondContact O-N 3.01Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 2.89Å; E86-I89 PolarHBondContact O-N 3Å; E86-Q90 WeakPolarHBondContact O-CG 3.46Å; E86-Q90 PolarHBondContact O-N 3.39Å; E86-Q90 PolarHBondContact OE1-NE2 3.47Å
87R96.4Very high95Very high126 Ų12655.1 Ų55.148%0.47527%0.269SS..Hα-helixtrans-60.5-41.2177.7-170.4-169.9-67.2-162.3-4.5112Y83 E84 V85 N91Y83-R87 VanDerWaalsContact CZ-NH2 3.31Å; Y83-R87 WeakPolarHBondContact O-CB 3.17Å; Y83-R87 PolarHBondContact O-N 2.95Å; Y83-R87 VanDerWaalsContact O-N 3.11Å; Y83-R87 PolarHBondContact OH-NH2 2.96Å; E84-R87 PolarHBondContact O-N 2.92Å; V85-R87 VanDerWaalsContact C-N 3.32Å; V85-R87 PolarHBondContact O-N 3.38Å; R87-N91 WeakPolarHBondContact O-CB 3.33Å; R87-N91 PolarHBondContact O-N 2.92Å; R87-N91 VanDerWaalsContact O-N 3.15Å; R87-N91 PolarHBondContact O-ND2 3.42Å
88E97.2Very high94.9Very high2 Ų255.1 Ų55.11%0.00927%0.269CS..Hα-helixtrans-62.7-45.7176-170.5-174.8175.300111.7R51 R54 R58 E84 V85 E86 Q90 N91 E92 I95R51-E88 WeakPolarHBondContact CG-OE2 3.21Å; R54-E88 IonicContact CZ-OE1 3.55Å; R54-E88 IonicContact CZ-OE2 2.68Å; R54-E88 IonicContact NE-OE1 2.89Å; R54-E88 PolarHBondContact NE-OE1 3.48Å; R54-E88 IonicContact NE-OE2 3.78Å; R54-E88 PolarHBondContact NE-OE2 2.81Å; R54-E88 IonicContact NH2-OE1 2.92Å; R54-E88 IonicContact NH2-OE2 2.82Å; R54-E88 PolarHBondContact NH2-OE2 2.83Å; R58-E88 IonicContact CZ-OE1 2.74Å; R58-E88 IonicContact NH1-OE1 3.84Å; R58-E88 PolarHBondContact NH1-OE1 2.94Å; R58-E88 IonicContact NH2-OE1 2.72Å; R58-E88 PolarHBondContact NH2-OE1 2.94Å; E84-E88 PolarHBondContact O-N 3.26Å; V85-E88 WeakPolarHBondContact O-CB 3.19Å; V85-E88 PolarHBondContact O-N 2.78Å; V85-E88 VanDerWaalsContact O-N 3.15Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 2.89Å; E88-Q90 VanDerWaalsContact C-N 3.33Å; E88-Q90 PolarHBondContact O-N 3.23Å; E88-N91 PolarHBondContact O-N 3.47Å; E88-E92 HydrophobicContact CG-CG 3.96Å; E88-E92 WeakPolarHBondContact O-CB 3.28Å; E88-E92 WeakPolarHBondContact O-CG 3.46Å; E88-E92 PolarHBondContact O-N 3.17Å; E88-I95 HydrophobicContact CB-CD1 4.29Å; E88-I95 HydrophobicContact CG-CD1 3.75Å
89I96.4Very high94.7Very high12 Ų1259.7 Ų59.76%0.06229%0.293CS..Hα-helixtrans-58-46.4178.8-70.9165.3000111H28 V85 E86 N91 K93 I95 Q97H28-I89 HydrophobicContact CB-CD1 4.01Å; H28-I89 HydrophobicContact CB-CG2 4.06Å; V85-I89 HydrophobicContact CG1-CD1 3.69Å; V85-I89 HydrophobicContact CG1-CG1 4.35Å; V85-I89 VanDerWaalsContact O-CG1 3.29Å; V85-I89 WeakPolarHBondContact O-CG1 3.31Å; V85-I89 PolarHBondContact O-N 2.82Å; E86-I89 PolarHBondContact O-N 3Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-N91 PolarHBondContact O-N 3.36Å; I89-K93 WeakPolarHBondContact O-CA 3.47Å; I89-K93 PolarHBondContact O-N 3.29Å; I89-I95 HydrophobicContact CD1-CG2 4.19Å; I89-I95 HydrophobicContact CG1-CB 3.92Å; I89-I95 HydrophobicContact CG1-CD1 3.81Å; I89-I95 HydrophobicContact CG1-CG1 4.47Å; I89-I95 HydrophobicContact CG1-CG2 3.81Å; I89-Q97 HydrophobicContact CD1-CB 4.48Å
90Q95.6Very high94.6Very high108 Ų10860.3 Ų60.351%0.50530%0.297SS..Hα-helixtrans-65.2-36.9-179.7-64.9-57.9-27.900112.6E86 E88 K93E86-Q90 WeakPolarHBondContact O-CG 3.46Å; E86-Q90 PolarHBondContact O-N 3.39Å; E86-Q90 PolarHBondContact OE1-NE2 3.47Å; E88-Q90 VanDerWaalsContact C-N 3.33Å; E88-Q90 PolarHBondContact O-N 3.23Å; Q90-K93 WeakPolarHBondContact O-CE 3.47Å
91N96.4Very high94.6Very high106 Ų10661 Ų6157%0.56729%0.293SS*.Hα-helixtrans-78.1-45.9-177.6-70.9-12.6000112.7R87 E88 I89R87-N91 WeakPolarHBondContact O-CB 3.33Å; R87-N91 PolarHBondContact O-N 2.92Å; R87-N91 VanDerWaalsContact O-N 3.15Å; R87-N91 PolarHBondContact O-ND2 3.42Å; E88-N91 PolarHBondContact O-N 3.47Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-N91 PolarHBondContact O-N 3.36Å
92E96.3Very high94.4Very high82 Ų8260 Ų6038%0.38329%0.286SS..Hα-helixtrans-96.2-28.3-167.8-54.7-69.8176.800112.8R58 E88 D94R58-E92 WeakPolarHBondContact CD-OE2 3.31Å; R58-E92 IonicContact NE-OE2 2.69Å; E88-E92 HydrophobicContact CG-CG 3.96Å; E88-E92 WeakPolarHBondContact O-CB 3.28Å; E88-E92 WeakPolarHBondContact O-CG 3.46Å; E88-E92 PolarHBondContact O-N 3.17Å; E92-D94 VanDerWaalsContact CB-OD1 3.26Å; E92-D94 WeakPolarHBondContact CB-OD1 3.18Å; E92-D94 PolarHBondContact O-N 2.9Å
93K95.9Very high94.1Very high127 Ų12759.3 Ų59.355%0.55228%0.281SS*.  trans56.420.5176-54.9177.3-178.2173.90115.3P30 I89 Q90P30-K93 WeakPolarHBondContact CB-O 3.32Å; I89-K93 WeakPolarHBondContact O-CA 3.47Å; I89-K93 PolarHBondContact O-N 3.29Å; Q90-K93 WeakPolarHBondContact O-CE 3.47Å
94D97.8Very high93.7Very high17 Ų1755.6 Ų55.69%0.09127%0.266CS..  trans-119.821.7-174.670.5-13.9000112.7R58 M62 F74 F75 E92R58-D94 IonicContact CZ-OD1 3.16Å; R58-D94 IonicContact CZ-OD2 3.17Å; R58-D94 IonicContact NE-OD1 3.72Å; R58-D94 PolarHBondContact NE-OD1 2.97Å; R58-D94 IonicContact NE-OD2 3.68Å; R58-D94 PolarHBondContact NE-OD2 2.71Å; R58-D94 IonicContact NH2-OD1 3.66Å; R58-D94 PolarHBondContact NH2-OD1 2.71Å; R58-D94 IonicContact NH2-OD2 3.79Å; R58-D94 PolarHBondContact NH2-OD2 2.89Å; M62-D94 WeakPolarHBondContact CE-OD2 3.27Å; F74-D94 CarbonylContact C-O 3.42Å; F74-D94 WeakPolarHBondContact CA-O 3.34Å; F74-D94 WeakPolarHBondContact CB-O 3.49Å; F75-D94 WeakPolarHBondContact CE2-OD2 3.41Å; F75-D94 PolarHBondContact N-O 2.97Å; E92-D94 VanDerWaalsContact CB-OD1 3.26Å; E92-D94 WeakPolarHBondContact CB-OD1 3.18Å; E92-D94 PolarHBondContact O-N 2.9Å
95I98.4Very high93.2Very high1 Ų150.8 Ų50.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-114.4126.2-176.7-70.2166.3000110.7S29 P30 F75 L77 E88 I89 Q97S29-I95 CarbonylContact C-O 3.55Å; P30-I95 VanDerWaalsContact CD-O 3.29Å; P30-I95 WeakPolarHBondContact CD-O 3.33Å; F75-I95 HydrophobicContact CB-CG1 4.34Å; L77-I95 HydrophobicContact CB-CG2 4.42Å; L77-I95 HydrophobicContact CD1-CD1 4.14Å; L77-I95 HydrophobicContact CD1-CG1 4.44Å; L77-I95 HydrophobicContact CD1-CG2 3.76Å; L77-I95 HydrophobicContact CG-CG2 3.92Å; E88-I95 HydrophobicContact CB-CD1 4.29Å; E88-I95 HydrophobicContact CG-CD1 3.75Å; I89-I95 HydrophobicContact CD1-CG2 4.19Å; I89-I95 HydrophobicContact CG1-CB 3.92Å; I89-I95 HydrophobicContact CG1-CD1 3.81Å; I89-I95 HydrophobicContact CG1-CG1 4.47Å; I89-I95 HydrophobicContact CG1-CG2 3.81Å; I95-Q97 HydrophobicContact CG2-CB 4.2Å
96L98.1Very high92.9Very high0 Ų050.9 Ų50.90%024%0.243CC..EExtended strand (participates in β ladder)trans-95.7113.1160.5179.466.5000108.1V26 P30 F74 F75 V76 L77 A114 W117V26-L96 HydrophobicContact CG1-CD1 3.68Å; V26-L96 HydrophobicContact CG2-CD1 4.24Å; P30-L96 HydrophobicContact CG-CB 4.42Å; F74-L96 HydrophobicContact CD2-CB 4.03Å; F74-L96 HydrophobicContact CE2-CB 4.16Å; F74-L96 HydrophobicContact CE2-CD2 4.07Å; F75-L96 PolarHBondContact O-N 3.02Å; V76-L96 CarbonylContact C-O 3.43Å; V76-L96 VanDerWaalsContact CA-O 3.3Å; V76-L96 WeakPolarHBondContact CA-O 3.41Å; V76-L96 HydrophobicContact CG1-CB 4.49Å; V76-L96 HydrophobicContact CG1-CD2 4.2Å; V76-L96 HydrophobicContact CG1-CG 4.41Å; V76-L96 HydrophobicContact CG2-CD2 4.41Å; L77-L96 PolarHBondContact N-O 2.59Å; L96-A114 HydrophobicContact CD2-CB 4.44Å; L96-W117 HydrophobicContact CD1-CB 4.3Å; L96-W117 HydrophobicContact CD1-CG 4.05Å; L96-W117 HydrophobicContact CD2-CB 3.85Å; L96-W117 HydrophobicContact CD2-CG 4.19Å
97Q96.8Very high92.8Very high0 Ų049.1 Ų49.10%024%0.235CC..EExtended strand (participates in β ladder)trans-109.6133.9178.9-170.1-174-200110.7I27 H28 L77 G79 T81 I89 I95I27-Q97 HydrophobicContact CB-CB 4.43Å; I27-Q97 HydrophobicContact CB-CG 4.38Å; I27-Q97 HydrophobicContact CD1-CG 4.19Å; I27-Q97 PolarHBondContact N-O 2.04Å; H28-Q97 HydrophobicContact CB-CB 4.2Å; H28-Q97 PolarHBondContact CD2-OE1 2.78Å; H28-Q97 VanDerWaalsContact CD2-OE1 3.23Å; H28-Q97 PolarHBondContact N-O 3.06Å; H28-Q97 PolarHBondContact O-N 3.48Å; L77-Q97 HydrophobicContact CB-CG 4.27Å; L77-Q97 WeakPolarHBondContact O-CA 3.36Å; G79-Q97 PolarHBondContact O-NE2 3.29Å; T81-Q97 PolarHBondContact OG1-NE2 2.95Å; T81-Q97 PolarHBondContact OG1-OE1 2.97Å; T81-Q97 VanDerWaalsContact OG1-OE1 3.13Å; I89-Q97 HydrophobicContact CD1-CB 4.48Å; I95-Q97 HydrophobicContact CG2-CB 4.2Å
98I94.4Very high92.6Very high0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-122.1144.9-177.660.5161.5000112.3V24 D25 V26 L77 A78 G79 T100 H109 K110 Q113V24-I98 HydrophobicContact CG1-CB 3.77Å; V24-I98 HydrophobicContact CG1-CD1 4Å; V24-I98 HydrophobicContact CG1-CG1 4.28Å; D25-I98 CarbonylContact O-C 3.57Å; D25-I98 WeakPolarHBondContact O-CA 3.39Å; V26-I98 HydrophobicContact CG2-CG2 4.41Å; L77-I98 WeakPolarHBondContact O-CG1 3.46Å; L77-I98 PolarHBondContact O-N 2.95Å; A78-I98 WeakPolarHBondContact CA-O 3.47Å; A78-I98 HydrophobicContact CB-CD1 4.36Å; A78-I98 HydrophobicContact CB-CG1 4Å; G79-I98 PolarHBondContact N-O 3Å; I98-T100 VanDerWaalsContact C-N 3.3Å; I98-T100 HydrophobicContact CD1-CG2 3.56Å; I98-T100 HydrophobicContact CG1-CG2 3.96Å; I98-T100 PolarHBondContact O-N 3.25Å; I98-H109 HydrophobicContact CD1-CB 4.09Å; I98-K110 HydrophobicContact CD1-CB 4.4Å; I98-K110 HydrophobicContact CD1-CG 3.91Å; I98-Q113 HydrophobicContact CB-CG 4.44Å; I98-Q113 HydrophobicContact CD1-CB 4.45Å; I98-Q113 HydrophobicContact CD1-CG 4.19Å; I98-Q113 HydrophobicContact CG2-CB 3.62Å; I98-Q113 HydrophobicContact CG2-CG 3.76Å
99N90.9Very high92.4Very high96 Ų9643.2 Ų43.251%0.51321%0.213SC..SBendtrans-83.769.9-177.5-168.921.4000111.7D25 I27D25-N99 HydrophobicContact CB-CB 4.32Å; D25-N99 PolarHBondContact O-N 3.03Å; I27-N99 HydrophobicContact CD1-CB 3.91Å; I27-N99 HydrophobicContact CG1-CB 3.84Å
100T87.5Confident92.3Very high16 Ų1643.1 Ų43.110%0.09821%0.212CC..SBendtrans-140.6161.8172.8-169.90000110.4V24 A78 G79 I98 D102 H109V24-T100 HydrophobicContact CG1-CG2 4.2Å; A78-T100 CarbonylContact C-O 3.6Å; A78-T100 HydrophobicContact CB-CG2 3.57Å; G79-T100 WeakPolarHBondContact CA-O 3.18Å; G79-T100 PolarHBondContact N-O 3.1Å; I98-T100 VanDerWaalsContact C-N 3.3Å; I98-T100 HydrophobicContact CD1-CG2 3.56Å; I98-T100 HydrophobicContact CG1-CG2 3.96Å; I98-T100 PolarHBondContact O-N 3.25Å; T100-D102 PolarHBondContact O-N 3.07Å; T100-H109 HydrophobicContact CG2-CB 4.13Å
101I87.2Confident92.3Very high121 Ų12138 Ų3862%0.62119%0.188SC*.  trans-64.5127.9177.2-61.8169.3000109S103 N106I101-S103 PolarHBondContact O-N 2.98Å; I101-N106 WeakPolarHBondContact O-CB 3.35Å; I101-N106 PolarHBondContact O-ND2 3.36Å
102D87.1Confident92.3Very high34 Ų3434.5 Ų34.518%0.18217%0.169CC..  trans-73.896.1176.4-157.8-0.3000110.5R47 T48 A78 T100 K110R47-D102 WeakPolarHBondContact CA-OD2 3.41Å; T48-D102 PolarHBondContact N-OD2 3.15Å; T48-D102 PolarHBondContact OG1-OD2 3.23Å; A78-D102 HydrophobicContact CB-CB 4.19Å; A78-D102 VanDerWaalsContact O-CB 3.28Å; A78-D102 WeakPolarHBondContact O-CB 3.15Å; T100-D102 PolarHBondContact O-N 3.07Å; D102-K110 WeakPolarHBondContact OD1-CE 3.48Å; D102-K110 IonicContact OD1-NZ 3.25Å; D102-K110 PolarHBondContact OD1-NZ 3.34Å; D102-K110 IonicContact OD2-NZ 3.38Å
103S86.2Confident92.2Very high40 Ų4031 Ų3128%0.2815%0.152SC..  trans-142.9149.5-179.3176.70000109.8I101 Y105 N106 I107I101-S103 PolarHBondContact O-N 2.98Å; S103-Y105 PolarHBondContact O-N 3.17Å; S103-Y105 WeakPolarHBondContact OG-CD2 3.48Å; S103-Y105 PolarHBondContact OG-N 3.27Å; S103-N106 PolarHBondContact O-N 3.27Å; S103-I107 PolarHBondContact O-N 2.75Å
104Y84.3Confident92.3Very high89 Ų8924.9 Ų24.935%0.34913%0.126SC..G310 helixtrans-50.7-41.5170175-100.4000111.1N106 I107 K173 L216Y104-N106 PolarHBondContact O-N 2.71Å; Y104-I107 WeakPolarHBondContact O-CB 3.28Å; Y104-I107 VanDerWaalsContact O-CG2 3.22Å; Y104-I107 WeakPolarHBondContact O-CG2 3.19Å; Y104-I107 PolarHBondContact O-N 2.85Å; Y104-K173 HydrophobicContact CE1-CB 4.29Å; Y104-K173 WeakPolarHBondContact CE1-O 3.25Å; Y104-L216 HydrophobicContact CE1-CD2 4.42Å; Y104-L216 WeakPolarHBondContact OH-CD2 3.16Å
105Y85.2Confident92.4Very high28 Ų2824.1 Ų24.111%0.1112%0.121CC..G310 helixtrans-67.6-16.9-179.8-64-65.6000114.2E10 T11 A14 S103 Y213 H215E10-Y105 HydrophobicContact CB-CE1 4.13Å; E10-Y105 HydrophobicContact CB-CE2 3.79Å; E10-Y105 VanDerWaalsContact CB-CZ 3.44Å; E10-Y105 VanDerWaalsContact CB-OH 3.27Å; E10-Y105 WeakPolarHBondContact CB-OH 3.5Å; E10-Y105 PolarHBondContact OE2-OH 2.72Å; T11-Y105 HydrophobicContact CG2-CD1 3.8Å; T11-Y105 HydrophobicContact CG2-CE1 3.61Å; A14-Y105 VanDerWaalsContact CB-CB 3.4Å; A14-Y105 HydrophobicContact CB-CG 3.94Å; S103-Y105 PolarHBondContact O-N 3.17Å; S103-Y105 WeakPolarHBondContact OG-CD2 3.48Å; S103-Y105 PolarHBondContact OG-N 3.27Å; Y105-Y213 VanDerWaalsContact CB-OH 3.28Å; Y105-Y213 WeakPolarHBondContact CB-OH 3.22Å; Y105-Y213 WeakPolarHBondContact O-CE2 3.36Å; Y105-Y213 PolarHBondContact O-OH 3.03Å; Y105-Y213 VanDerWaalsContact O-OH 3.06Å; Y105-H215 AromaticContact CD1-CD2 3.92Å; Y105-H215 WeakPolarHBondContact O-CB 3.44Å
106N88.3Confident92.3Very high7 Ų728.5 Ų28.54%0.03714%0.14CC..G310 helixtrans-105.710.5178.3-69.8-11.6000112.9I101 S103 Y104 T108 H109I101-N106 WeakPolarHBondContact O-CB 3.35Å; I101-N106 PolarHBondContact O-ND2 3.36Å; S103-N106 PolarHBondContact O-N 3.27Å; Y104-N106 PolarHBondContact O-N 2.71Å; N106-T108 PolarHBondContact O-N 3.1Å; N106-H109 WeakPolarHBondContact O-CB 3.36Å; N106-H109 PolarHBondContact O-N 3.37Å
107I92.1Very high92.3Very high20 Ų2029.1 Ų29.110%0.10314%0.143CC..Hα-helixtrans-59.5-34-177.2-164.8167.6000112.4P45 S103 Y104 H109 K110 I111 R130 H215 D217P45-I107 HydrophobicContact CB-CG1 4.47Å; S103-I107 PolarHBondContact O-N 2.75Å; Y104-I107 WeakPolarHBondContact O-CB 3.28Å; Y104-I107 VanDerWaalsContact O-CG2 3.22Å; Y104-I107 WeakPolarHBondContact O-CG2 3.19Å; Y104-I107 PolarHBondContact O-N 2.85Å; I107-H109 PolarHBondContact O-N 3.2Å; I107-K110 WeakPolarHBondContact O-CA 3.47Å; I107-K110 VanDerWaalsContact O-CB 3.31Å; I107-K110 WeakPolarHBondContact O-CB 3.47Å; I107-K110 PolarHBondContact O-N 3.1Å; I107-I111 WeakPolarHBondContact O-CG1 3.37Å; I107-I111 PolarHBondContact O-N 3.26Å; I107-I111 VanDerWaalsContact O-N 3.17Å; I107-R130 VanDerWaalsContact CD1-NH2 3.34Å; I107-H215 WeakPolarHBondContact CG2-O 3.32Å; I107-D217 HydrophobicContact CG2-CB 4.24Å
108T93.2Very high92.3Very high0 Ų029.2 Ų29.20%014%0.143CC..Hα-helixtrans-60.4-28.5176.335.70000113.1F19 N106 I111 H112 F214 D217 L220F19-T108 WeakPolarHBondContact CZ-OG1 3.35Å; N106-T108 PolarHBondContact O-N 3.1Å; T108-I111 PolarHBondContact O-N 3.31Å; T108-H112 WeakPolarHBondContact O-CB 3.47Å; T108-H112 PolarHBondContact O-N 2.87Å; T108-F214 WeakPolarHBondContact CB-O 3.15Å; T108-F214 VanDerWaalsContact CG2-O 3.26Å; T108-F214 WeakPolarHBondContact CG2-O 3Å; T108-F214 PolarHBondContact OG1-O 2.98Å; T108-D217 VanDerWaalsContact CG2-CA 3.44Å; T108-D217 HydrophobicContact CG2-CB 3.65Å; T108-L220 HydrophobicContact CG2-CD2 3.92Å
109H92Very high92.5Very high3 Ų331.5 Ų31.51%0.01416%0.157CC..Hα-helixtrans-66.8-39.3171.5-67.2-77.6000111.9F19 V24 I98 T100 N106 I107 I111 H112 Q113F19-H109 AromaticContact CD1-CE1 3.41Å; F19-H109 VanDerWaalsContact CD1-CE1 3.41Å; F19-H109 WeakPolarHBondContact CD1-CE1 3.39Å; F19-H109 AromaticContact CD1-ND1 3.51Å; F19-H109 AromaticContact CE1-CD2 3.77Å; F19-H109 AromaticContact CE1-CE1 3.33Å; F19-H109 WeakPolarHBondContact CE1-CE1 3.42Å; F19-H109 AromaticContact CE1-CG 3.65Å; F19-H109 AromaticContact CE1-ND1 3.36Å; F19-H109 WeakPolarHBondContact CE1-ND1 3.05Å; F19-H109 AromaticContact CE1-NE2 3.59Å; F19-H109 AromaticContact CG-CE1 3.88Å; F19-H109 AromaticContact CZ-CD2 3.86Å; F19-H109 AromaticContact CZ-CE1 3.72Å; F19-H109 AromaticContact CZ-NE2 3.53Å; V24-H109 HydrophobicContact CG2-CB 4.48Å; I98-H109 HydrophobicContact CD1-CB 4.09Å; T100-H109 HydrophobicContact CG2-CB 4.13Å; N106-H109 WeakPolarHBondContact O-CB 3.36Å; N106-H109 PolarHBondContact O-N 3.37Å; I107-H109 PolarHBondContact O-N 3.2Å; H109-I111 VanDerWaalsContact C-N 3.32Å; H109-I111 PolarHBondContact O-N 3.47Å; H109-H112 PolarHBondContact O-N 3.3Å; H109-Q113 WeakPolarHBondContact O-CB 3.1Å; H109-Q113 VanDerWaalsContact O-CG 3.27Å; H109-Q113 WeakPolarHBondContact O-CG 3.31Å; H109-Q113 PolarHBondContact O-N 3.49Å
110K94.6Very high92.8Very high10 Ų1031.4 Ų31.44%0.04316%0.164CC..Hα-helixtrans-60.2-45.1174.1-65-177.8-178.7178.50110.4P45 S46 V76 A78 I98 D102 I107 Q113 A114P45-K110 HydrophobicContact CB-CB 4.31Å; P45-K110 HydrophobicContact CB-CD 3.96Å; S46-K110 PolarHBondContact O-NZ 3.26Å; V76-K110 HydrophobicContact CB-CB 4.27Å; V76-K110 HydrophobicContact CG1-CB 3.68Å; V76-K110 HydrophobicContact CG1-CG 4.05Å; A78-K110 HydrophobicContact CB-CD 4.42Å; A78-K110 HydrophobicContact CB-CG 4.27Å; I98-K110 HydrophobicContact CD1-CB 4.4Å; I98-K110 HydrophobicContact CD1-CG 3.91Å; D102-K110 WeakPolarHBondContact OD1-CE 3.48Å; D102-K110 IonicContact OD1-NZ 3.25Å; D102-K110 PolarHBondContact OD1-NZ 3.34Å; D102-K110 IonicContact OD2-NZ 3.38Å; I107-K110 WeakPolarHBondContact O-CA 3.47Å; I107-K110 VanDerWaalsContact O-CB 3.31Å; I107-K110 WeakPolarHBondContact O-CB 3.47Å; I107-K110 PolarHBondContact O-N 3.1Å; K110-Q113 PolarHBondContact O-N 3.02Å; K110-A114 WeakPolarHBondContact O-CB 3.36Å; K110-A114 PolarHBondContact O-N 2.95Å
111I96.5Very high93.3Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-66-46.7-179.7-48.2-50.2000111.5F43 P45 I107 T108 H109 Q113 A114 F115 R130 D217 V221F43-I111 HydrophobicContact CE2-CD1 3.69Å; F43-I111 HydrophobicContact CZ-CD1 4.23Å; F43-I111 HydrophobicContact CZ-CG2 4.23Å; P45-I111 HydrophobicContact CB-CD1 4.45Å; P45-I111 HydrophobicContact CG-CD1 3.52Å; I107-I111 WeakPolarHBondContact O-CG1 3.37Å; I107-I111 PolarHBondContact O-N 3.26Å; I107-I111 VanDerWaalsContact O-N 3.17Å; T108-I111 PolarHBondContact O-N 3.31Å; H109-I111 VanDerWaalsContact C-N 3.32Å; H109-I111 PolarHBondContact O-N 3.47Å; I111-Q113 VanDerWaalsContact C-N 3.32Å; I111-Q113 PolarHBondContact O-N 3.22Å; I111-A114 WeakPolarHBondContact O-CB 3.23Å; I111-A114 PolarHBondContact O-N 3.4Å; I111-F115 HydrophobicContact CG2-CD1 4.28Å; I111-F115 HydrophobicContact CG2-CE1 3.74Å; I111-F115 HydrophobicContact CG2-CE2 4.08Å; I111-F115 HydrophobicContact CG2-CZ 3.61Å; I111-F115 WeakPolarHBondContact O-CD1 3.43Å; I111-F115 WeakPolarHBondContact O-CG 3.43Å; I111-F115 PolarHBondContact O-N 3.38Å; I111-R130 HydrophobicContact CD1-CG 4.16Å; I111-D217 HydrophobicContact CG1-CB 3.66Å; I111-V221 HydrophobicContact CG2-CG2 4Å
112H95.3Very high93.8Very high34 Ų3427.5 Ų27.516%0.15714%0.144CC..Hα-helixtrans-56.6-46.7177.5-179.3-100000111.8T108 H109 F115 K116 L206 W209T108-H112 WeakPolarHBondContact O-CB 3.47Å; T108-H112 PolarHBondContact O-N 2.87Å; H109-H112 PolarHBondContact O-N 3.3Å; H112-F115 PolarHBondContact O-N 2.95Å; H112-K116 WeakPolarHBondContact CE1-CD 3.15Å; H112-K116 PolarHBondContact O-N 3.25Å; H112-L206 VanDerWaalsContact CD2-CD2 3.49Å; H112-L206 WeakPolarHBondContact CD2-CD2 3.3Å; H112-W209 HydrophobicContact CB-CH2 4.02Å; H112-W209 HydrophobicContact CB-CZ2 3.72Å; H112-W209 AromaticContact CD2-CD1 3.95Å; H112-W209 AromaticContact CD2-CD2 3.48Å; H112-W209 VanDerWaalsContact CD2-CD2 3.48Å; H112-W209 AromaticContact CD2-CE2 3.7Å; H112-W209 AromaticContact CD2-CE3 3.88Å; H112-W209 AromaticContact CD2-CG 3.66Å; H112-W209 AromaticContact CD2-NE1 3.97Å
113Q95.2Very high94.2Very high7 Ų736.1 Ų36.13%0.03317%0.174CC..Hα-helixtrans-70.9-35.8-179.9-67.7-6793.400112.5V24 I98 H109 K110 I111 F115 K116 W117V24-Q113 HydrophobicContact CG1-CG 4.41Å; V24-Q113 PolarHBondContact O-NE2 2.88Å; I98-Q113 HydrophobicContact CB-CG 4.44Å; I98-Q113 HydrophobicContact CD1-CB 4.45Å; I98-Q113 HydrophobicContact CD1-CG 4.19Å; I98-Q113 HydrophobicContact CG2-CB 3.62Å; I98-Q113 HydrophobicContact CG2-CG 3.76Å; H109-Q113 WeakPolarHBondContact O-CB 3.1Å; H109-Q113 VanDerWaalsContact O-CG 3.27Å; H109-Q113 WeakPolarHBondContact O-CG 3.31Å; H109-Q113 PolarHBondContact O-N 3.49Å; K110-Q113 PolarHBondContact O-N 3.02Å; I111-Q113 VanDerWaalsContact C-N 3.32Å; I111-Q113 PolarHBondContact O-N 3.22Å; Q113-F115 VanDerWaalsContact C-N 3.32Å; Q113-F115 PolarHBondContact O-N 3.43Å; Q113-K116 PolarHBondContact O-N 2.92Å; Q113-W117 VanDerWaalsContact O-CB 3.29Å; Q113-W117 WeakPolarHBondContact O-CB 3.28Å; Q113-W117 PolarHBondContact O-N 2.71Å
114A98Very high94.7Very high0 Ų039.2 Ų39.20%018%0.18CC..Hα-helixtrans-58.5-45.3170.600000111F43 F74 V76 L96 K110 I111 W117 I118F43-A114 HydrophobicContact CD1-CB 4.41Å; F43-A114 HydrophobicContact CD2-CB 3.82Å; F43-A114 HydrophobicContact CE1-CB 4.43Å; F43-A114 HydrophobicContact CE2-CB 3.84Å; F43-A114 HydrophobicContact CG-CB 4.11Å; F43-A114 HydrophobicContact CZ-CB 4.15Å; F74-A114 HydrophobicContact CE2-CB 4.36Å; F74-A114 HydrophobicContact CZ-CB 4.43Å; V76-A114 HydrophobicContact CG2-CB 4.01Å; L96-A114 HydrophobicContact CD2-CB 4.44Å; K110-A114 WeakPolarHBondContact O-CB 3.36Å; K110-A114 PolarHBondContact O-N 2.95Å; I111-A114 WeakPolarHBondContact O-CB 3.23Å; I111-A114 PolarHBondContact O-N 3.4Å; A114-W117 PolarHBondContact O-N 3.45Å; A114-I118 WeakPolarHBondContact O-CG1 3.46Å; A114-I118 PolarHBondContact O-N 2.98Å
115F98.1Very high95.3Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-64-46.1178.4-72.45000112.1F43 I111 H112 Q113 W117 I118 V119 L197 L202 L205 L206 W209 V221F43-F115 HydrophobicContact CE1-CD1 4.4Å; F43-F115 AromaticContact CE1-CE1 3.93Å; F43-F115 HydrophobicContact CE1-CE1 3.93Å; F43-F115 HydrophobicContact CZ-CD1 4.41Å; F43-F115 AromaticContact CZ-CE1 3.85Å; F43-F115 HydrophobicContact CZ-CE1 3.85Å; I111-F115 HydrophobicContact CG2-CD1 4.28Å; I111-F115 HydrophobicContact CG2-CE1 3.74Å; I111-F115 HydrophobicContact CG2-CE2 4.08Å; I111-F115 HydrophobicContact CG2-CZ 3.61Å; I111-F115 WeakPolarHBondContact O-CD1 3.43Å; I111-F115 WeakPolarHBondContact O-CG 3.43Å; I111-F115 PolarHBondContact O-N 3.38Å; H112-F115 PolarHBondContact O-N 2.95Å; Q113-F115 VanDerWaalsContact C-N 3.32Å; Q113-F115 PolarHBondContact O-N 3.43Å; F115-W117 VanDerWaalsContact C-N 3.28Å; F115-W117 PolarHBondContact O-N 3.42Å; F115-I118 PolarHBondContact O-N 2.79Å; F115-V119 WeakPolarHBondContact O-CB 3.43Å; F115-V119 WeakPolarHBondContact O-CG2 3.32Å; F115-V119 PolarHBondContact O-N 3.35Å; F115-L197 HydrophobicContact CE1-CD1 3.86Å; F115-L197 HydrophobicContact CE2-CD1 4.16Å; F115-L197 HydrophobicContact CZ-CD1 3.32Å; F115-L202 HydrophobicContact CB-CD2 4.33Å; F115-L202 HydrophobicContact CB-CG 4.23Å; F115-L202 HydrophobicContact CD1-CD2 4.28Å; F115-L202 HydrophobicContact CD1-CG 4.15Å; F115-L202 HydrophobicContact CD2-CG 4.31Å; F115-L202 HydrophobicContact CG-CD2 4.35Å; F115-L202 HydrophobicContact CG-CG 3.98Å; F115-L205 HydrophobicContact CE2-CD1 4.09Å; F115-L206 HydrophobicContact CB-CD1 4.07Å; F115-L206 HydrophobicContact CB-CD2 3.88Å; F115-L206 HydrophobicContact CB-CG 4.05Å; F115-W209 HydrophobicContact CD2-CZ3 4.3Å; F115-W209 HydrophobicContact CE2-CZ3 4.35Å; F115-V221 HydrophobicContact CE2-CG1 3.95Å; F115-V221 HydrophobicContact CE2-CG2 4.23Å; F115-V221 HydrophobicContact CZ-CG1 3.81Å; F115-V221 HydrophobicContact CZ-CG2 4.42Å
116K96.7Very high95.8Very high94 Ų9439.4 Ų39.441%0.40919%0.189SC..Hα-helixtrans-58.1-43.2175.1-77.5-178.759-174.60111.8H112 Q113 S120 L206H112-K116 WeakPolarHBondContact CE1-CD 3.15Å; H112-K116 PolarHBondContact O-N 3.25Å; Q113-K116 PolarHBondContact O-N 2.92Å; K116-S120 WeakPolarHBondContact O-CB 3.42Å; K116-S120 PolarHBondContact O-N 3.24Å; K116-S120 VanDerWaalsContact O-N 3.09Å; K116-S120 PolarHBondContact O-OG 3.23Å; K116-L206 HydrophobicContact CG-CD1 4Å; K116-L206 HydrophobicContact CG-CD2 3.77Å
117W97.8Very high96.3Very high12 Ų1239.1 Ų39.15%0.04519%0.187CC..Hα-helixtrans-63.1-47.8178.3-175.187.9000111.7S29 P30 L31 K72 F74 L96 Q113 A114 F115 V119 S120 N121S29-W117 PolarHBondContact OG-NE1 3.09Å; P30-W117 HydrophobicContact CB-CZ2 4.44Å; P30-W117 HydrophobicContact CG-CD2 4.44Å; P30-W117 HydrophobicContact CG-CH2 4.01Å; P30-W117 HydrophobicContact CG-CZ2 3.59Å; L31-W117 WeakPolarHBondContact O-CZ2 3.42Å; K72-W117 HydrophobicContact CD-CH2 4.33Å; F74-W117 HydrophobicContact CD1-CE3 4.5Å; F74-W117 HydrophobicContact CD1-CZ3 4.03Å; F74-W117 AromaticContact CE1-CE3 3.78Å; F74-W117 HydrophobicContact CE1-CE3 3.78Å; F74-W117 AromaticContact CE1-CZ3 3.59Å; F74-W117 HydrophobicContact CE1-CZ3 3.59Å; F74-W117 HydrophobicContact CE2-CE3 4.31Å; F74-W117 AromaticContact CZ-CE3 3.68Å; F74-W117 HydrophobicContact CZ-CE3 3.68Å; F74-W117 AromaticContact CZ-CZ3 4Å; F74-W117 HydrophobicContact CZ-CZ3 4Å; L96-W117 HydrophobicContact CD1-CB 4.3Å; L96-W117 HydrophobicContact CD1-CG 4.05Å; L96-W117 HydrophobicContact CD2-CB 3.85Å; L96-W117 HydrophobicContact CD2-CG 4.19Å; Q113-W117 VanDerWaalsContact O-CB 3.29Å; Q113-W117 WeakPolarHBondContact O-CB 3.28Å; Q113-W117 PolarHBondContact O-N 2.71Å; A114-W117 PolarHBondContact O-N 3.45Å; F115-W117 VanDerWaalsContact C-N 3.28Å; F115-W117 PolarHBondContact O-N 3.42Å; W117-V119 PolarHBondContact O-N 3.22Å; W117-S120 PolarHBondContact O-N 3.42Å; W117-N121 VanDerWaalsContact CD1-ND2 3.33Å; W117-N121 HydrophobicContact CD2-CB 4.23Å; W117-N121 HydrophobicContact CH2-CB 4.11Å; W117-N121 HydrophobicContact CZ2-CB 3.77Å; W117-N121 HydrophobicContact CZ3-CB 4.49Å; W117-N121 PolarHBondContact NE1-ND2 2.65Å; W117-N121 VanDerWaalsContact O-CB 3.31Å; W117-N121 WeakPolarHBondContact O-CB 3.37Å; W117-N121 PolarHBondContact O-N 2.74Å; W117-N121 PolarHBondContact O-ND2 2.89Å
118I98.5Very high96.6Very high2 Ų238.2 Ų38.21%0.0118%0.182CC..Hα-helixtrans-61.2-46.1178.8-66.7168.7000110.7I41 F43 F74 A114 F115 S120 N121 C122 A125 V128 L202I41-I118 HydrophobicContact CB-CD1 4.48Å; I41-I118 HydrophobicContact CG1-CG2 4.43Å; I41-I118 HydrophobicContact CG2-CD1 3.86Å; I41-I118 HydrophobicContact CG2-CG1 3.96Å; F43-I118 HydrophobicContact CD1-CD1 4.12Å; F43-I118 HydrophobicContact CE1-CD1 4.46Å; F74-I118 HydrophobicContact CE1-CD1 4.34Å; F74-I118 HydrophobicContact CE1-CG1 4.15Å; F74-I118 HydrophobicContact CZ-CD1 4.09Å; F74-I118 HydrophobicContact CZ-CG1 3.95Å; A114-I118 WeakPolarHBondContact O-CG1 3.46Å; A114-I118 PolarHBondContact O-N 2.98Å; F115-I118 PolarHBondContact O-N 2.79Å; I118-S120 PolarHBondContact O-N 3.03Å; I118-N121 PolarHBondContact O-N 3.41Å; I118-C122 HydrophobicContact CG2-CB 4.09Å; I118-C122 WeakPolarHBondContact O-CA 3.38Å; I118-C122 VanDerWaalsContact O-CB 3.32Å; I118-C122 WeakPolarHBondContact O-CB 3.49Å; I118-C122 PolarHBondContact O-N 2.9Å; I118-A125 HydrophobicContact CG2-CB 4.41Å; I118-V128 HydrophobicContact CD1-CG1 3.77Å; I118-V128 HydrophobicContact CD1-CG2 4.17Å; I118-V128 HydrophobicContact CG2-CG2 4.15Å; I118-L202 HydrophobicContact CB-CD2 3.74Å; I118-L202 HydrophobicContact CD1-CD2 4.27Å; I118-L202 HydrophobicContact CG2-CD2 3.52Å
119V97.9Very high96.8Very high48 Ų4838.2 Ų38.229%0.29118%0.183SC..Hα-helixtrans-59-37.8178.1167.20000111.7F115 W117 L202 K203 L206F115-V119 WeakPolarHBondContact O-CB 3.43Å; F115-V119 WeakPolarHBondContact O-CG2 3.32Å; F115-V119 PolarHBondContact O-N 3.35Å; W117-V119 PolarHBondContact O-N 3.22Å; V119-L202 HydrophobicContact CG2-CB 3.6Å; V119-L202 HydrophobicContact CG2-CD2 4.15Å; V119-K203 HydrophobicContact CG1-CD 4.38Å; V119-K203 HydrophobicContact CG1-CG 3.82Å; V119-K203 HydrophobicContact CG2-CG 3.98Å; V119-L206 HydrophobicContact CG2-CD1 3.96Å
120S97.2Very high97.2Very high95 Ų9538.2 Ų38.266%0.66418%0.182SC*.Hα-helixtrans-81.2-32.7-177-53.60000112.8K116 W117 I118K116-S120 WeakPolarHBondContact O-CB 3.42Å; K116-S120 PolarHBondContact O-N 3.24Å; K116-S120 VanDerWaalsContact O-N 3.09Å; K116-S120 PolarHBondContact O-OG 3.23Å; W117-S120 PolarHBondContact O-N 3.42Å; I118-S120 PolarHBondContact O-N 3.03Å
121N98.1Very high97.3Very high47 Ų4737.8 Ų37.825%0.25118%0.181SC..Hα-helixtrans-114.2-8.5-167.5-66.3-78000114.7P32 C33 W117 I118P32-N121 HydrophobicContact CB-CB 4.22Å; C33-N121 VanDerWaalsContact CB-O 3.25Å; C33-N121 WeakPolarHBondContact CB-O 3.47Å; C33-N121 PolarHBondContact N-O 3.36Å; W117-N121 VanDerWaalsContact CD1-ND2 3.33Å; W117-N121 HydrophobicContact CD2-CB 4.23Å; W117-N121 HydrophobicContact CH2-CB 4.11Å; W117-N121 HydrophobicContact CZ2-CB 3.77Å; W117-N121 HydrophobicContact CZ3-CB 4.49Å; W117-N121 PolarHBondContact NE1-ND2 2.65Å; W117-N121 VanDerWaalsContact O-CB 3.31Å; W117-N121 WeakPolarHBondContact O-CB 3.37Å; W117-N121 PolarHBondContact O-N 2.74Å; W117-N121 PolarHBondContact O-ND2 2.89Å; I118-N121 PolarHBondContact O-N 3.41Å
122C98.1Very high97.4Very high7 Ų739.4 Ų39.45%0.04719%0.189CC..  trans-133.163.2-172.5-590000112.5C33 I41 I118 Y124 A125C33-C122 HydrophobicContact CB-CB 3.76Å; C33-C122 WeakPolarHBondContact CB-SG 3.4Å; C33-C122 WeakPolarHBondContact SG-CB 3.31Å; C33-C122 CovalentContact SG-SG 2.04Å; C33-C122 PolarHBondContact SG-SG 3.34Å; I41-C122 HydrophobicContact CD1-CB 4.18Å; I41-C122 HydrophobicContact CG1-CB 4.38Å; I118-C122 HydrophobicContact CG2-CB 4.09Å; I118-C122 WeakPolarHBondContact O-CA 3.38Å; I118-C122 VanDerWaalsContact O-CB 3.32Å; I118-C122 WeakPolarHBondContact O-CB 3.49Å; I118-C122 PolarHBondContact O-N 2.9Å; C122-Y124 PolarHBondContact O-N 3.41Å; C122-A125 HydrophobicContact CB-CB 4.14Å; C122-A125 WeakPolarHBondContact O-CB 3.31Å; C122-A125 PolarHBondContact O-N 3.31Å
123R95.8Very high97.5Very high215 Ų21538.9 Ų38.981%0.81119%0.189SC*.THydrogen-bonded Turntrans-51.7-31.1-177-177.6175.8179.3173.40.6115.3
124Y96Very high97.5Very high105 Ų10542.6 Ų42.641%0.41221%0.209SC..THydrogen-bonded Turntrans-105.211.6-175.3-62.4-87.3000113.5P35 C122 Q126P35-Y124 HydrophobicContact CB-CD2 4.1Å; P35-Y124 HydrophobicContact CB-CE2 3.84Å; C122-Y124 PolarHBondContact O-N 3.41Å; Y124-Q126 PolarHBondContact O-N 3.47Å
125A97.2Very high97.5Very high18 Ų1842.6 Ų42.615%0.14921%0.209CC..  trans-58.6138.3173.500000110.4I41 I118 C122 A199I41-A125 HydrophobicContact CD1-CB 4.35Å; I41-A125 HydrophobicContact CG1-CB 3.68Å; I118-A125 HydrophobicContact CG2-CB 4.41Å; C122-A125 HydrophobicContact CB-CB 4.14Å; C122-A125 WeakPolarHBondContact O-CB 3.31Å; C122-A125 PolarHBondContact O-N 3.31Å; A125-A199 VanDerWaalsContact C-CB 3.43Å; A125-A199 HydrophobicContact CB-CB 3.86Å; A125-A199 WeakPolarHBondContact O-CB 3.34Å
126Q96.1Very high97.5Very high103 Ų10342.6 Ų42.648%0.48121%0.209SC..  trans-116-35.1177.2-62.9-180-8.300111R39 Y124 A199R39-Q126 PolarHBondContact O-N 3.4Å; Y124-Q126 PolarHBondContact O-N 3.47Å; Q126-A199 PolarHBondContact O-N 2.88Å
127L97.3Very high97.6Very high2 Ų238.3 Ų38.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-128.6138.5-179.7-173.570.3000109.3R39 Y40 I41 V129 L142 L146 F152 L196R39-L127 PolarHBondContact O-N 3.48Å; Y40-L127 HydrophobicContact CD1-CB 3.73Å; Y40-L127 HydrophobicContact CD1-CD2 4.27Å; Y40-L127 HydrophobicContact CE1-CB 4.49Å; I41-L127 PolarHBondContact N-O 2.94Å; L127-V129 HydrophobicContact CD2-CG2 3.73Å; L127-V129 HydrophobicContact CG-CG2 3.9Å; L127-L142 HydrophobicContact CD2-CD1 4.21Å; L127-L142 HydrophobicContact CD2-CD2 4.49Å; L127-L146 HydrophobicContact CD1-CD2 4.37Å; L127-L146 HydrophobicContact CD2-CD1 3.74Å; L127-L146 HydrophobicContact CD2-CD2 3.89Å; L127-L146 HydrophobicContact CD2-CG 4.36Å; L127-F152 HydrophobicContact CD1-CD1 3.53Å; L127-F152 HydrophobicContact CD1-CE1 3.22Å; L127-F152 HydrophobicContact CD1-CG 4.48Å; L127-F152 HydrophobicContact CD1-CZ 3.98Å; L127-L196 HydrophobicContact CD1-CB 4.04Å
128V98.5Very high97.6Very high0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-118.5132.1166.8179.40000108.3I41 F43 I118 L196 L197 A199 L202I41-V128 HydrophobicContact CB-CG2 4.45Å; I41-V128 CarbonylContact O-C 3.55Å; I41-V128 VanDerWaalsContact O-CA 3.27Å; I41-V128 WeakPolarHBondContact O-CA 3.44Å; F43-V128 HydrophobicContact CD1-CG1 3.94Å; F43-V128 HydrophobicContact CE1-CG1 3.6Å; I118-V128 HydrophobicContact CD1-CG1 3.77Å; I118-V128 HydrophobicContact CD1-CG2 4.17Å; I118-V128 HydrophobicContact CG2-CG2 4.15Å; V128-L196 CarbonylContact O-C 3.57Å; V128-L196 WeakPolarHBondContact O-CA 3.26Å; V128-L197 HydrophobicContact CB-CB 4.34Å; V128-L197 PolarHBondContact N-O 2.69Å; V128-L197 PolarHBondContact O-N 2.75Å; V128-A199 HydrophobicContact CG2-CB 4.26Å; V128-L202 HydrophobicContact CB-CD1 4.3Å; V128-L202 HydrophobicContact CG2-CD1 3.86Å; V128-L202 HydrophobicContact CG2-CD2 3.92Å
129V98.7Very high97.6Very high1 Ų140.3 Ų40.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-121.8124.2179.5-179.80000107.8I41 L42 F43 L127 L137 L142 T194 L196I41-V129 PolarHBondContact O-N 3.25Å; L42-V129 CarbonylContact C-O 3.5Å; L42-V129 VanDerWaalsContact CA-O 3.32Å; L42-V129 WeakPolarHBondContact CA-O 3.5Å; L42-V129 HydrophobicContact CD1-CB 3.89Å; L42-V129 HydrophobicContact CD1-CG2 3.86Å; L42-V129 HydrophobicContact CG-CB 3.79Å; L42-V129 HydrophobicContact CG-CG1 4.17Å; L42-V129 HydrophobicContact CG-CG2 4.27Å; F43-V129 PolarHBondContact N-O 3.11Å; L127-V129 HydrophobicContact CD2-CG2 3.73Å; L127-V129 HydrophobicContact CG-CG2 3.9Å; V129-L137 HydrophobicContact CG1-CD1 3.97Å; V129-L142 HydrophobicContact CG2-CD2 4.41Å; V129-T194 HydrophobicContact CG1-CG2 4.32Å; V129-L196 HydrophobicContact CB-CD2 4.09Å; V129-L196 HydrophobicContact CG1-CD2 3.7Å; V129-L196 HydrophobicContact CG2-CD2 3.59Å
130R98.7Very high97.5Very high2 Ų241.6 Ų41.61%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-106.4131.9172.2-176.2-85.9-163-149-12.5107.9F43 I107 I111 D132 G192 T194 Y195 D217F43-R130 HydrophobicContact CD2-CG 4.38Å; F43-R130 HydrophobicContact CE1-CB 3.81Å; F43-R130 HydrophobicContact CE1-CG 4.2Å; F43-R130 HydrophobicContact CE2-CB 4.09Å; F43-R130 HydrophobicContact CE2-CG 3.54Å; F43-R130 HydrophobicContact CZ-CB 3.53Å; F43-R130 HydrophobicContact CZ-CG 3.43Å; F43-R130 VanDerWaalsContact CZ-CG 3.43Å; I107-R130 VanDerWaalsContact CD1-NH2 3.34Å; I111-R130 HydrophobicContact CD1-CG 4.16Å; R130-D132 IonicContact CZ-OD1 3.85Å; R130-D132 IonicContact CZ-OD2 2.95Å; R130-D132 IonicContact NH1-OD1 3.96Å; R130-D132 PolarHBondContact NH1-OD1 3.12Å; R130-D132 IonicContact NH1-OD2 2.85Å; R130-D132 PolarHBondContact NH1-OD2 3.35Å; R130-D132 IonicContact NH2-OD1 3.99Å; R130-D132 PolarHBondContact NH2-OD1 2.96Å; R130-D132 IonicContact NH2-OD2 3.77Å; R130-G192 PolarHBondContact NH1-O 3.16Å; R130-T194 VanDerWaalsContact O-CA 3.26Å; R130-T194 WeakPolarHBondContact O-CA 3.42Å; R130-T194 WeakPolarHBondContact O-CG2 3.47Å; R130-Y195 HydrophobicContact CB-CD2 3.97Å; R130-Y195 HydrophobicContact CB-CE1 4.23Å; R130-Y195 HydrophobicContact CB-CE2 3.46Å; R130-Y195 VanDerWaalsContact CB-CE2 3.46Å; R130-Y195 HydrophobicContact CG-CE1 4.11Å; R130-Y195 HydrophobicContact CG-CE2 4.01Å; R130-Y195 WeakPolarHBondContact CG-OH 3.13Å; R130-Y195 PolarHBondContact N-O 3.25Å; R130-Y195 VanDerWaalsContact N-O 3.07Å; R130-Y195 PolarHBondContact O-N 3.43Å; R130-Y195 VanDerWaalsContact O-N 3.17Å; R130-D217 IonicContact CZ-OD2 3.45Å; R130-D217 IonicContact NE-OD2 2.75Å; R130-D217 PolarHBondContact NE-OD2 3.44Å; R130-D217 IonicContact NH2-OD1 3.34Å; R130-D217 IonicContact NH2-OD2 3.52Å; R130-D217 PolarHBondContact NH2-OD2 2.98Å
131A98.5Very high97.5Very high1 Ų137.8 Ų37.81%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-136.2140.6174.500000111.1F43 V44 P45 L137F43-A131 PolarHBondContact O-N 3.45Å; V44-A131 WeakPolarHBondContact CA-O 3.41Å; P45-A131 WeakPolarHBondContact CD-O 3.48Å; A131-L137 HydrophobicContact CB-CD1 3.93Å; A131-L137 HydrophobicContact CB-CD2 4.09Å; A131-L137 HydrophobicContact CB-CG 4.08Å
132D97.7Very high97.4Very high34 Ų3435.7 Ų35.718%0.18217%0.173CC..  trans-68.7155.2169.6-83.6-35.4000111R130 D134 V135 F193R130-D132 IonicContact CZ-OD1 3.85Å; R130-D132 IonicContact CZ-OD2 2.95Å; R130-D132 IonicContact NH1-OD1 3.96Å; R130-D132 PolarHBondContact NH1-OD1 3.12Å; R130-D132 IonicContact NH1-OD2 2.85Å; R130-D132 PolarHBondContact NH1-OD2 3.35Å; R130-D132 IonicContact NH2-OD1 3.99Å; R130-D132 PolarHBondContact NH2-OD1 2.96Å; R130-D132 IonicContact NH2-OD2 3.77Å; D132-D134 WeakPolarHBondContact CB-OD1 3.26Å; D132-D134 PolarHBondContact O-N 3.05Å; D132-V135 HydrophobicContact CB-CG2 4.16Å; D132-V135 WeakPolarHBondContact O-CB 3.48Å; D132-V135 PolarHBondContact O-N 2.96Å; D132-V135 VanDerWaalsContact O-N 3.11Å; D132-F193 PolarHBondContact N-O 3.04Å; D132-F193 VanDerWaalsContact OD2-CA 3.29Å; D132-F193 WeakPolarHBondContact OD2-CA 3.43Å
133P96.9Very high97.3Very high23 Ų2337.3 Ų37.315%0.14918%0.181CC..THydrogen-bonded Turntrans-70-15.8-177.929.1-35.2000113.3V44 P45 L53 I57 V135V44-P133 HydrophobicContact CG1-CB 4.01Å; P45-P133 WeakPolarHBondContact O-CD 3.29Å; L53-P133 HydrophobicContact CD2-CB 3.95Å; I57-P133 HydrophobicContact CD1-CB 4.22Å; P133-V135 VanDerWaalsContact C-N 3.31Å
134D95.9Very high97.3Very high85 Ų8529.6 Ų29.646%0.45516%0.16SC..THydrogen-bonded Turntrans-93.116.4173.367-12.1000113D132 S261D132-D134 WeakPolarHBondContact CB-OD1 3.26Å; D132-D134 PolarHBondContact O-N 3.05Å; D134-S261 WeakPolarHBondContact O-CA 3.19Å; D134-S261 WeakPolarHBondContact O-CB 3.35Å; D134-S261 PolarHBondContact O-N 2.83Å
135V98.1Very high97.2Very high1 Ų124.9 Ų24.91%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-115.2140.7175.5175.80000111W61 D132 P133 L137 F193 T194 A259W61-V135 PolarHBondContact NE1-O 3.17Å; D132-V135 HydrophobicContact CB-CG2 4.16Å; D132-V135 WeakPolarHBondContact O-CB 3.48Å; D132-V135 PolarHBondContact O-N 2.96Å; D132-V135 VanDerWaalsContact O-N 3.11Å; P133-V135 VanDerWaalsContact C-N 3.31Å; V135-L137 HydrophobicContact CG1-CD2 4.34Å; V135-F193 HydrophobicContact CG2-CB 3.9Å; V135-T194 WeakPolarHBondContact CG1-OG1 3.27Å; V135-A259 WeakPolarHBondContact CG1-O 3.27Å
136A98.2Very high97Very high0 Ų025.5 Ų25.50%014%0.142CC..EExtended strand (participates in β ladder)trans-103.3129.6169.800000109.7W61 F247 S258 A259 W272W61-A136 HydrophobicContact CG-CB 4.38Å; A136-F247 HydrophobicContact CB-CB 4.12Å; A136-F247 HydrophobicContact CB-CD1 3.61Å; A136-F247 HydrophobicContact CB-CE1 4.34Å; A136-F247 HydrophobicContact CB-CG 4.02Å; A136-S258 WeakPolarHBondContact O-CA 3.23Å; A136-A259 PolarHBondContact N-O 3.4Å; A136-A259 PolarHBondContact O-N 3.17Å; A136-W272 HydrophobicContact CB-CZ3 4.07Å
137L98.6Very high96.8Very high4 Ų425 Ų252%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-97.1137.9175.8-64.1-179.1000111L42 W61 F65 V129 A131 V135 T194 I257L42-L137 HydrophobicContact CD2-CD1 3.8Å; L42-L137 HydrophobicContact CG-CD1 4.29Å; W61-L137 HydrophobicContact CD2-CB 4.46Å; W61-L137 HydrophobicContact CE3-CB 3.88Å; W61-L137 HydrophobicContact CE3-CD1 4.44Å; W61-L137 HydrophobicContact CE3-CG 4.33Å; W61-L137 HydrophobicContact CH2-CD1 4.14Å; W61-L137 HydrophobicContact CH2-CG 4.38Å; W61-L137 HydrophobicContact CZ3-CB 4.09Å; W61-L137 HydrophobicContact CZ3-CD1 3.8Å; W61-L137 HydrophobicContact CZ3-CG 4.09Å; F65-L137 HydrophobicContact CE2-CB 3.6Å; F65-L137 HydrophobicContact CZ-CB 3.62Å; V129-L137 HydrophobicContact CG1-CD1 3.97Å; A131-L137 HydrophobicContact CB-CD1 3.93Å; A131-L137 HydrophobicContact CB-CD2 4.09Å; A131-L137 HydrophobicContact CB-CG 4.08Å; V135-L137 HydrophobicContact CG1-CD2 4.34Å; L137-T194 HydrophobicContact CD2-CG2 3.85Å; L137-I257 WeakPolarHBondContact CA-O 3.15Å
138I98.1Very high96.4Very high8 Ų832.8 Ų32.84%0.04118%0.18CC..  trans-107.3106.3178.8-48.7-57.5000109.9S140 S141 L142 F247 L255 P256 I257 W272I138-S140 WeakPolarHBondContact CG2-OG 3.35Å; I138-S140 PolarHBondContact O-N 3.23Å; I138-S141 PolarHBondContact O-N 2.8Å; I138-L142 PolarHBondContact O-N 3.35Å; I138-L142 VanDerWaalsContact O-N 3.1Å; I138-F247 HydrophobicContact CD1-CB 4.43Å; I138-L255 HydrophobicContact CG2-CB 4.03Å; I138-L255 HydrophobicContact CG2-CD1 3.92Å; I138-P256 VanDerWaalsContact CB-O 3.26Å; I138-P256 WeakPolarHBondContact CB-O 3.36Å; I138-P256 VanDerWaalsContact CG1-O 3.29Å; I138-P256 WeakPolarHBondContact CG1-O 3.13Å; I138-I257 PolarHBondContact N-O 3.07Å; I138-W272 HydrophobicContact CD1-CH2 3.77Å; I138-W272 HydrophobicContact CD1-CZ3 3.91Å
139K97.6Very high95.4Very high47 Ų4738 Ų3820%0.20420%0.202CC..Hα-helixtrans-56.8-44.3-175.4-179.7178.165.4175.70113.3D64 F65 D68 S141 L142 L143D64-K139 HydrophobicContact CB-CB 4.27Å; D64-K139 HydrophobicContact CB-CD 4.49Å; D64-K139 WeakPolarHBondContact O-CD 3.34Å; D64-K139 WeakPolarHBondContact O-CE 3.16Å; D64-K139 PolarHBondContact O-NZ 3.28Å; F65-K139 HydrophobicContact CD1-CB 4.14Å; F65-K139 HydrophobicContact CD1-CD 4.45Å; F65-K139 HydrophobicContact CD1-CG 4.12Å; F65-K139 HydrophobicContact CE1-CB 3.72Å; F65-K139 HydrophobicContact CE1-CG 3.99Å; F65-K139 HydrophobicContact CE2-CB 4.14Å; F65-K139 VanDerWaalsContact CZ-CA 3.47Å; F65-K139 HydrophobicContact CZ-CB 3.72Å; F65-K139 HydrophobicContact CZ-CG 4.5Å; D68-K139 HydrophobicContact CB-CD 4.27Å; K139-S141 PolarHBondContact O-N 3.41Å; K139-L142 PolarHBondContact O-N 3.37Å; K139-L143 HydrophobicContact CD-CD1 4.39Å; K139-L143 HydrophobicContact CG-CD1 3.95Å; K139-L143 HydrophobicContact CG-CG 4.29Å; K139-L143 WeakPolarHBondContact O-CG 3.31Å; K139-L143 PolarHBondContact O-N 3.37Å
140S95.8Very high93.6Very high75 Ų7549.5 Ų49.552%0.52425%0.245SC..Hα-helixtrans-61.5-44.1-177.650.50000111.8I138 L143 S144I138-S140 WeakPolarHBondContact CG2-OG 3.35Å; I138-S140 PolarHBondContact O-N 3.23Å; S140-L143 PolarHBondContact O-N 3.03Å; S140-S144 VanDerWaalsContact O-CB 3.28Å; S140-S144 WeakPolarHBondContact O-CB 3.39Å; S140-S144 PolarHBondContact O-N 2.82Å
141S96.8Very high92.1Very high16 Ų1654.5 Ų54.511%0.11228%0.278CS..Hα-helixtrans-66.3-40.3177.4-61.40000112.1I138 K139 S144 Y145 L255 P256I138-S141 PolarHBondContact O-N 2.8Å; K139-S141 PolarHBondContact O-N 3.41Å; S141-S144 PolarHBondContact O-N 3.01Å; S141-Y145 WeakPolarHBondContact O-CB 3.49Å; S141-Y145 PolarHBondContact O-N 2.74Å; S141-L255 WeakPolarHBondContact CB-O 3.38Å; S141-L255 WeakPolarHBondContact OG-CB 3.38Å; S141-L255 PolarHBondContact OG-O 3.22Å; S141-P256 VanDerWaalsContact CB-O 3.23Å; S141-P256 WeakPolarHBondContact CB-O 3.4Å; S141-P256 PolarHBondContact OG-O 3.32Å
142L97.2Very high91.4Very high2 Ų256.4 Ų56.41%0.0129%0.286CS..Hα-helixtrans-60.5-50.3173.6-17963.2000111.3F65 F71 L127 V129 I138 K139 S144 Y145 L146 L196 I257F65-L142 HydrophobicContact CE1-CD2 3.89Å; F71-L142 HydrophobicContact CE1-CD2 3.89Å; F71-L142 HydrophobicContact CZ-CD2 4.28Å; L127-L142 HydrophobicContact CD2-CD1 4.21Å; L127-L142 HydrophobicContact CD2-CD2 4.49Å; V129-L142 HydrophobicContact CG2-CD2 4.41Å; I138-L142 PolarHBondContact O-N 3.35Å; I138-L142 VanDerWaalsContact O-N 3.1Å; K139-L142 PolarHBondContact O-N 3.37Å; L142-S144 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 2.87Å; L142-Y145 WeakPolarHBondContact O-CB 3.4Å; L142-Y145 PolarHBondContact O-N 3.19Å; L142-Y145 VanDerWaalsContact O-N 3.16Å; L142-L146 HydrophobicContact CD1-CD1 4.32Å; L142-L146 HydrophobicContact CD1-CG 4.39Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.44Å; L142-L146 PolarHBondContact O-N 2.92Å; L142-L196 HydrophobicContact CD1-CD1 3.91Å; L142-L196 HydrophobicContact CD1-CD2 4.14Å; L142-I257 HydrophobicContact CB-CG2 4.28Å; L142-I257 HydrophobicContact CD1-CD1 4.42Å; L142-I257 HydrophobicContact CD1-CG2 4.08Å
143L95.5Very high91.3Very high41 Ų4158.7 Ų58.722%0.21530%0.301CS..Hα-helixtrans-64.6-37.5180-69.7178.8000112.4Y40 F71 K139 S140 Y145 L146 S147Y40-L143 HydrophobicContact CE2-CD2 4.29Å; F71-L143 HydrophobicContact CE2-CD2 4.04Å; F71-L143 HydrophobicContact CZ-CD2 3.83Å; F71-L143 HydrophobicContact CZ-CG 4.41Å; K139-L143 HydrophobicContact CD-CD1 4.39Å; K139-L143 HydrophobicContact CG-CD1 3.95Å; K139-L143 HydrophobicContact CG-CG 4.29Å; K139-L143 WeakPolarHBondContact O-CG 3.31Å; K139-L143 PolarHBondContact O-N 3.37Å; S140-L143 PolarHBondContact O-N 3.03Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-L146 PolarHBondContact O-N 2.84Å; L143-S147 WeakPolarHBondContact O-CB 3.45Å; L143-S147 PolarHBondContact O-N 3.24Å; L143-S147 PolarHBondContact O-OG 3.3Å
144S94.9Very high91.2Very high53 Ų5361 Ų6137%0.37131%0.307SS..Hα-helixtrans-64.7-34.3173.4178.10000112.6S140 S141 L142 S147 R148S140-S144 VanDerWaalsContact O-CB 3.28Å; S140-S144 WeakPolarHBondContact O-CB 3.39Å; S140-S144 PolarHBondContact O-N 2.82Å; S141-S144 PolarHBondContact O-N 3.01Å; L142-S144 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 2.87Å; S144-S147 PolarHBondContact O-OG 2.95Å; S144-S147 VanDerWaalsContact O-OG 3.12Å; S144-R148 WeakPolarHBondContact O-CG 3.37Å; S144-R148 PolarHBondContact O-NE 3.32Å
145Y95.1Very high91.3Very high7 Ų757.5 Ų57.53%0.02729%0.289CS..Hα-helixtrans-67-48.3172.7-177-96.9000111.4S141 L142 L143 S147 R148 K149 F152 V157 L196 E237 L240 I257S141-Y145 WeakPolarHBondContact O-CB 3.49Å; S141-Y145 PolarHBondContact O-N 2.74Å; L142-Y145 WeakPolarHBondContact O-CB 3.4Å; L142-Y145 PolarHBondContact O-N 3.19Å; L142-Y145 VanDerWaalsContact O-N 3.16Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; Y145-S147 VanDerWaalsContact C-N 3.34Å; Y145-S147 PolarHBondContact O-N 3.5Å; Y145-R148 PolarHBondContact O-N 3.02Å; Y145-K149 HydrophobicContact CE1-CG 4.34Å; Y145-K149 HydrophobicContact CE2-CG 4.25Å; Y145-K149 PolarHBondContact O-N 3.03Å; Y145-F152 HydrophobicContact CE1-CE2 4.46Å; Y145-V157 HydrophobicContact CE1-CG1 4.26Å; Y145-V157 HydrophobicContact CE1-CG2 4.06Å; Y145-V157 WeakPolarHBondContact OH-CG1 3.22Å; Y145-V157 WeakPolarHBondContact OH-CG2 3.49Å; Y145-L196 HydrophobicContact CD1-CD1 4.35Å; Y145-L196 HydrophobicContact CE1-CD1 4.37Å; Y145-E237 HydrophobicContact CE2-CG 3.9Å; Y145-E237 WeakPolarHBondContact CE2-OE1 3.38Å; Y145-E237 PolarHBondContact OH-OE1 3.48Å; Y145-L240 HydrophobicContact CD2-CD1 3.47Å; Y145-L240 VanDerWaalsContact CD2-CD1 3.47Å; Y145-L240 HydrophobicContact CE2-CD1 3.89Å; Y145-L240 HydrophobicContact CG-CD1 4.43Å; Y145-I257 HydrophobicContact CD1-CD1 4.28Å; Y145-I257 HydrophobicContact CD2-CD1 4.2Å; Y145-I257 HydrophobicContact CG-CD1 3.81Å
146L93.6Very high91.3Very high30 Ų3057.4 Ų57.416%0.15729%0.288CS..Hα-helixtrans-66.3-31.7-178.3-64.3173.2000113.2Y40 L127 L142 L143Y40-L146 HydrophobicContact CD1-CD1 4.38Å; Y40-L146 HydrophobicContact CE1-CD1 4.05Å; L127-L146 HydrophobicContact CD1-CD2 4.37Å; L127-L146 HydrophobicContact CD2-CD1 3.74Å; L127-L146 HydrophobicContact CD2-CD2 3.89Å; L127-L146 HydrophobicContact CD2-CG 4.36Å; L142-L146 HydrophobicContact CD1-CD1 4.32Å; L142-L146 HydrophobicContact CD1-CG 4.39Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.44Å; L142-L146 PolarHBondContact O-N 2.92Å; L143-L146 PolarHBondContact O-N 2.84Å
147S92.1Very high91.3Very high92 Ų9257.4 Ų57.464%0.64329%0.288SS*.Hα-helixtrans-71.7-30.7178.868.10000113.3L143 S144 Y145L143-S147 WeakPolarHBondContact O-CB 3.45Å; L143-S147 PolarHBondContact O-N 3.24Å; L143-S147 PolarHBondContact O-OG 3.3Å; S144-S147 PolarHBondContact O-OG 2.95Å; S144-S147 VanDerWaalsContact O-OG 3.12Å; Y145-S147 VanDerWaalsContact C-N 3.34Å; Y145-S147 PolarHBondContact O-N 3.5Å
148R88.8Confident91.3Very high167 Ų16757.2 Ų57.263%0.6329%0.287SS*.Hα-helixtrans-85.3-24.1-177-70.1-176.6-68.61670.2113.7S144 Y145S144-R148 WeakPolarHBondContact O-CG 3.37Å; S144-R148 PolarHBondContact O-NE 3.32Å; Y145-R148 PolarHBondContact O-N 3.02Å
149K76.2Confident91.3Very high110 Ų11060.5 Ų60.548%0.47830%0.3SS..SBendtrans-105.1126.1-175.4-59.5-66.9-172.2173.80110.5Y145 E237Y145-K149 HydrophobicContact CE1-CG 4.34Å; Y145-K149 HydrophobicContact CE2-CG 4.25Å; Y145-K149 PolarHBondContact O-N 3.03Å; K149-E237 IonicContact NZ-OE1 2.75Å
150R61.6Low91.3Very high241 Ų24158.8 Ų58.891%0.90929%0.294SS*.  trans-106.6160.3177.4-67.2-173175.2167.7-0.4111.5
151P66.9Low91.3Very high107 Ų10760.4 Ų60.470%0.69529%0.288SS*.  -61.3145.1-8632.6-31.2000112.3V153P151-V153 HydrophobicContact CB-CG2 4.19Å; P151-V153 HydrophobicContact CG-CG2 4.45Å; P151-V153 PolarHBondContact O-N 2.81Å
152F84.2Confident91.2Very high42 Ų4268 Ų6818%0.18432%0.315CS..  trans-80.482.3-179.8-156.6-107000110.5L127 Y145 T155 V157 L196 S198L127-F152 HydrophobicContact CD1-CD1 3.53Å; L127-F152 HydrophobicContact CD1-CE1 3.22Å; L127-F152 HydrophobicContact CD1-CG 4.48Å; L127-F152 HydrophobicContact CD1-CZ 3.98Å; Y145-F152 HydrophobicContact CE1-CE2 4.46Å; F152-T155 HydrophobicContact CD2-CG2 4.11Å; F152-T155 HydrophobicContact CE2-CG2 3.57Å; F152-T155 HydrophobicContact CZ-CG2 3.98Å; F152-V157 HydrophobicContact CE2-CG2 3.33Å; F152-V157 HydrophobicContact CZ-CB 4.41Å; F152-V157 HydrophobicContact CZ-CG2 3.52Å; F152-L196 HydrophobicContact CE1-CB 4.47Å; F152-L196 HydrophobicContact CZ-CB 4.09Å; F152-S198 VanDerWaalsContact CE1-N 3.27Å; F152-S198 WeakPolarHBondContact O-CB 3.27Å
153V94.3Very high91.1Very high82 Ų8277 Ų7750%0.49735%0.35SS..  trans-126.6139.2-176.9176.20000109.1P151 T155P151-V153 HydrophobicContact CB-CG2 4.19Å; P151-V153 HydrophobicContact CG-CG2 4.45Å; P151-V153 PolarHBondContact O-N 2.81Å; V153-T155 PolarHBondContact O-N 2.83Å; V153-T155 PolarHBondContact O-OG1 3.22Å
154R96.6Very high91.1Very high70 Ų7077.1 Ų77.126%0.26435%0.351SS..SBendtrans41.739.8-174.3-57.8-170.572.973.91.1114.2S198 D200 L201 T231 K233R154-S198 WeakPolarHBondContact CA-OG 3.28Å; R154-S198 PolarHBondContact N-OG 2.72Å; R154-D200 WeakPolarHBondContact CG-OD2 3.25Å; R154-D200 PolarHBondContact N-OD1 3.29Å; R154-D200 PolarHBondContact N-OD2 3.31Å; R154-L201 HydrophobicContact CB-CD2 4.11Å; R154-L201 HydrophobicContact CG-CD2 4.34Å; R154-T231 PolarHBondContact NE-O 3.46Å; R154-T231 PolarHBondContact NE-OG1 3.48Å; R154-T231 PolarHBondContact NH2-OG1 2.84Å; R154-K233 PolarHBondContact O-N 3.38Å
155T97.3Very high91.1Very high12 Ų1278.3 Ų78.37%0.07436%0.358CS..EExtended strand (participates in β ladder)trans-122.5137.5-170.9-61.30000111.3F152 V153 V157 S198 K233 V235F152-T155 HydrophobicContact CD2-CG2 4.11Å; F152-T155 HydrophobicContact CE2-CG2 3.57Å; F152-T155 HydrophobicContact CZ-CG2 3.98Å; V153-T155 PolarHBondContact O-N 2.83Å; V153-T155 PolarHBondContact O-OG1 3.22Å; T155-V157 HydrophobicContact CG2-CG2 4.03Å; T155-S198 PolarHBondContact N-OG 3.26Å; T155-S198 PolarHBondContact O-N 2.74Å; T155-K233 CarbonylContact C-O 3.58Å; T155-K233 WeakPolarHBondContact CA-O 3.45Å; T155-V235 HydrophobicContact CG2-CG2 3.71Å
156I98.1Very high91.1Very high0 Ų078.1 Ų78.10%036%0.358CS..EExtended strand (participates in β ladder)trans-117.6133.3170.1-55.9-171.2000108.3L196 L197 L201 T222 P226 V232 K233 L234 V235I156-L196 CarbonylContact C-O 3.56Å; I156-L196 VanDerWaalsContact CA-O 3.27Å; I156-L196 WeakPolarHBondContact CA-O 3.46Å; I156-L197 HydrophobicContact CB-CD2 4.13Å; I156-L197 HydrophobicContact CD1-CD2 3.53Å; I156-L197 HydrophobicContact CG1-CD2 3.47Å; I156-L197 VanDerWaalsContact CG1-CD2 3.47Å; I156-L197 HydrophobicContact CG2-CD2 3.86Å; I156-L201 HydrophobicContact CD1-CD1 4.22Å; I156-L201 HydrophobicContact CG1-CD1 3.64Å; I156-T222 HydrophobicContact CG2-CG2 3.91Å; I156-P226 HydrophobicContact CD1-CB 4.44Å; I156-P226 HydrophobicContact CD1-CG 3.47Å; I156-P226 VanDerWaalsContact CD1-CG 3.47Å; I156-V232 HydrophobicContact CD1-CG1 3.81Å; I156-V232 HydrophobicContact CG1-CG1 3.7Å; I156-K233 PolarHBondContact N-O 2.94Å; I156-L234 HydrophobicContact CB-CD1 3.79Å; I156-L234 HydrophobicContact CG2-CD1 3.75Å; I156-V235 PolarHBondContact O-N 2.99Å
157V97.8Very high91.1Very high0 Ų080.4 Ų80.40%037%0.369CS..EExtended strand (participates in β ladder)trans-126139.2177.8-174.30000110.1Y145 F152 T155 Y195 L196 V235 E237 F241Y145-V157 HydrophobicContact CE1-CG1 4.26Å; Y145-V157 HydrophobicContact CE1-CG2 4.06Å; Y145-V157 WeakPolarHBondContact OH-CG1 3.22Å; Y145-V157 WeakPolarHBondContact OH-CG2 3.49Å; F152-V157 HydrophobicContact CE2-CG2 3.33Å; F152-V157 HydrophobicContact CZ-CB 4.41Å; F152-V157 HydrophobicContact CZ-CG2 3.52Å; T155-V157 HydrophobicContact CG2-CG2 4.03Å; V157-Y195 WeakPolarHBondContact O-CA 3.16Å; V157-L196 HydrophobicContact CB-CB 4.13Å; V157-L196 HydrophobicContact CB-CD1 4.16Å; V157-L196 HydrophobicContact CB-CG 4.26Å; V157-L196 HydrophobicContact CG1-CD1 4.43Å; V157-L196 PolarHBondContact N-O 3.12Å; V157-L196 PolarHBondContact O-N 2.84Å; V157-V235 WeakPolarHBondContact CA-O 3.29Å; V157-V235 HydrophobicContact CG2-CB 4.02Å; V157-E237 HydrophobicContact CG1-CB 4.18Å; V157-E237 HydrophobicContact CG1-CG 3.67Å; V157-F241 HydrophobicContact CG1-CE2 3.72Å; V157-F241 HydrophobicContact CG1-CZ 3.93Å
158G98.2Very high91.2Very high0 Ų078 Ų780%035%0.345CS..EExtended strand (participates in β ladder)trans-177.3-161168.300000111.4C160 V235 E237G158-C160 PolarHBondContact O-SG 3.34Å; G158-C160 VanDerWaalsContact O-SG 3.39Å; G158-V235 PolarHBondContact N-O 3.41Å; G158-E237 PolarHBondContact O-N 3.18Å
159Y98.1Very high91.2Very high76 Ų7673.8 Ų73.830%0.29834%0.338SS..EExtended strand (participates in β ladder)trans-82110.8160.3-170.8136.2000107.7R161 C190 F191 F193 P238 F241Y159-R161 HydrophobicContact CE2-CG 4.19Å; Y159-C190 CarbonylContact O-C 3.32Å; Y159-C190 WeakPolarHBondContact O-CA 3.29Å; Y159-C190 WeakPolarHBondContact O-CB 3.4Å; Y159-F191 AromaticContact CD2-CD2 3.52Å; Y159-F191 HydrophobicContact CD2-CD2 3.52Å; Y159-F191 AromaticContact CD2-CE2 3.68Å; Y159-F191 HydrophobicContact CD2-CE2 3.68Å; Y159-F191 HydrophobicContact CE2-CD2 4.13Å; Y159-F191 AromaticContact CE2-CE2 3.8Å; Y159-F191 HydrophobicContact CE2-CE2 3.8Å; Y159-F191 AromaticContact CG-CD2 3.88Å; Y159-F191 HydrophobicContact CG-CD2 3.88Å; Y159-F191 HydrophobicContact CG-CE2 4.37Å; Y159-F191 WeakPolarHBondContact O-CD2 3.29Å; Y159-F191 PolarHBondContact O-N 2.86Å; Y159-F193 HydrophobicContact CD1-CZ 4.41Å; Y159-F193 HydrophobicContact CG-CZ 4.41Å; Y159-P238 HydrophobicContact CD1-CB 4.03Å; Y159-P238 HydrophobicContact CE1-CB 4Å; Y159-P238 HydrophobicContact CG-CB 4.45Å; Y159-F241 WeakPolarHBondContact CD1-O 3.28Å
160C98.1Very high91.6Very high12 Ų1269.7 Ų69.78%0.08132%0.323CS..EExtended strand (participates in β ladder)trans-116.1140.9-173.7-36.80000113.4G158 Y189 C190 L234 V235 N236G158-C160 PolarHBondContact O-SG 3.34Å; G158-C160 VanDerWaalsContact O-SG 3.39Å; C160-Y189 CarbonylContact C-O 3.58Å; C160-Y189 WeakPolarHBondContact CA-O 3.36Å; C160-Y189 VanDerWaalsContact CB-O 3.25Å; C160-Y189 WeakPolarHBondContact CB-O 3.22Å; C160-C190 HydrophobicContact CB-CB 3.98Å; C160-C190 WeakPolarHBondContact CB-SG 3.43Å; C160-C190 WeakPolarHBondContact SG-CB 3.41Å; C160-C190 CovalentContact SG-SG 2.05Å; C160-C190 PolarHBondContact SG-SG 3.43Å; C160-L234 HydrophobicContact CB-CD2 4.19Å; C160-L234 HydrophobicContact CB-CG 4.37Å; C160-V235 PolarHBondContact SG-O 3.1Å; C160-V235 VanDerWaalsContact SG-O 3.41Å; C160-N236 HydrophobicContact CB-CB 4.06Å; C160-N236 PolarHBondContact N-OD1 3.49Å; C160-N236 PolarHBondContact O-ND2 2.99Å; C160-N236 PolarHBondContact O-OD1 3.36Å
161R95.6Very high92.5Very high109 Ų10967.3 Ų67.341%0.41132%0.319SS..EExtended strand (participates in β ladder)trans-115.6159.6179.2-72.9-166172.41736.9111.4Y159 P188 Y189 F191Y159-R161 HydrophobicContact CE2-CG 4.19Å; R161-P188 WeakPolarHBondContact O-CA 3.37Å; R161-Y189 PolarHBondContact N-O 3.33Å; R161-Y189 PolarHBondContact O-N 3.42Å; R161-F191 VanDerWaalsContact CD-CE2 3.5Å; R161-F191 VanDerWaalsContact CD-CZ 3.46Å; R161-F191 HydrophobicContact CG-CE2 3.67Å; R161-F191 HydrophobicContact CG-CZ 4.13Å; R161-F191 VanDerWaalsContact NE-CZ 3.26Å
162R96.1Very high93.6Very high176 Ų17663.5 Ų63.566%0.66430%0.295SS*.SBendtrans-129.7151173.4-64.8-172172.9-178.3-2.5108.7D164 P188R162-D164 PolarHBondContact O-N 2.68Å; R162-P188 HydrophobicContact CG-CB 4.04Å; R162-P188 HydrophobicContact CG-CG 4.06Å
163Y94Very high93.7Very high189 Ų18967.9 Ų67.974%0.74131%0.314SS*.SBendtrans59.332177.2-45.8-68.3000113.5F185Y163-F185 WeakPolarHBondContact O-CD1 3.42Å
164D94.7Very high93.5Very high44 Ų4466 Ų6624%0.23530%0.303CS..PPolyproline II helixtrans-74.6131.9175.3-146.1-23.7000110R162 F185 Y186 Y189R162-D164 PolarHBondContact O-N 2.68Å; D164-F185 WeakPolarHBondContact O-CA 3.45Å; D164-Y186 PolarHBondContact O-N 3.45Å; D164-Y186 VanDerWaalsContact O-N 3.08Å; D164-Y189 HydrophobicContact CB-CE1 3.79Å; D164-Y189 PolarHBondContact OD2-OH 3.09Å; D164-Y189 VanDerWaalsContact OD2-OH 3.06Å
165C95.8Very high93.3Very high78 Ų7862.7 Ų62.753%0.52729%0.29SS..BIsolated β-bridgetrans-76.9137.4-178-172.70000109.2M167 F185C165-M167 PolarHBondContact O-N 2.82Å; C165-M167 VanDerWaalsContact O-N 3.14Å; C165-F185 HydrophobicContact CB-CD1 4.43Å; C165-F185 HydrophobicContact CB-CE1 4.29Å
166V95.1Very high93Very high4 Ų462.1 Ų62.12%0.02429%0.287CS..PPolyproline II helixtrans-66.7117.8176.6-179.30000108.8R168 T176 Y181 H184 Y186V166-R168 VanDerWaalsContact CG1-NE 3.27Å; V166-R168 WeakPolarHBondContact O-CG 3.46Å; V166-R168 PolarHBondContact O-N 2.76Å; V166-T176 HydrophobicContact CG1-CG2 4.32Å; V166-Y181 HydrophobicContact CG1-CD1 4.37Å; V166-Y181 HydrophobicContact CG2-CD1 3.52Å; V166-Y181 HydrophobicContact CG2-CE1 3.49Å; V166-Y181 VanDerWaalsContact CG2-CE1 3.49Å; V166-H184 WeakPolarHBondContact CG2-O 3.38Å; V166-H184 PolarHBondContact N-O 3.44Å; V166-Y186 HydrophobicContact CB-CE2 4.03Å; V166-Y186 HydrophobicContact CG1-CE1 4.25Å; V166-Y186 HydrophobicContact CG1-CE2 4.08Å; V166-Y186 WeakPolarHBondContact CG1-OH 3.42Å; V166-Y186 HydrophobicContact CG2-CD1 3.95Å; V166-Y186 HydrophobicContact CG2-CD2 3.9Å; V166-Y186 HydrophobicContact CG2-CE1 3.81Å; V166-Y186 HydrophobicContact CG2-CE2 3.76Å; V166-Y186 HydrophobicContact CG2-CG 4.02Å
167M93.9Very high92.5Very high78 Ų7862.4 Ų62.438%0.38429%0.29SS..PPolyproline II helixtrans-64118.8177.4-174.758.769.200110C165 V169 S172 C175 T176C165-M167 PolarHBondContact O-N 2.82Å; C165-M167 VanDerWaalsContact O-N 3.14Å; M167-V169 HydrophobicContact SD-CB 3.94Å; M167-V169 HydrophobicContact SD-CG2 3.78Å; M167-S172 VanDerWaalsContact CG-CB 3.44Å; M167-S172 WeakPolarHBondContact CG-OG 3.29Å; M167-C175 CarbonylContact O-C 3.59Å; M167-C175 WeakPolarHBondContact O-CA 3.26Å; M167-T176 PolarHBondContact O-N 3.32Å
168R92.9Very high92.1Very high41 Ų4166.6 Ų66.616%0.15531%0.308CS..  trans-113.68.8179.5-54.8-55.9-175.81662.6113.6V166 P170 T176 A177 F178 Y181 K183V166-R168 VanDerWaalsContact CG1-NE 3.27Å; V166-R168 WeakPolarHBondContact O-CG 3.46Å; V166-R168 PolarHBondContact O-N 2.76Å; R168-P170 WeakPolarHBondContact O-CD 3.48Å; R168-T176 WeakPolarHBondContact CD-O 3.47Å; R168-T176 PolarHBondContact NH1-O 3.09Å; R168-A177 PolarHBondContact NH1-O 3.45Å; R168-A177 VanDerWaalsContact NH1-O 3.11Å; R168-F178 HydrophobicContact CG-CE2 4.48Å; R168-F178 VanDerWaalsContact NH1-N 3.17Å; R168-Y181 VanDerWaalsContact CZ-O 3.32Å; R168-Y181 PolarHBondContact NH1-O 3.4Å; R168-Y181 PolarHBondContact NH2-O 3.28Å; R168-K183 PolarHBondContact NH2-O 2.99Å
169V89.7Confident91.5Very high78 Ų7872.4 Ų72.447%0.47333%0.333SS..  trans-81118.8-179.4179.10000109.5M167 F171 S172 C175M167-V169 HydrophobicContact SD-CB 3.94Å; M167-V169 HydrophobicContact SD-CG2 3.78Å; V169-F171 PolarHBondContact O-N 3.46Å; V169-S172 WeakPolarHBondContact O-CB 3.41Å; V169-S172 PolarHBondContact O-N 2.95Å; V169-C175 VanDerWaalsContact O-CB 3.23Å; V169-C175 WeakPolarHBondContact O-CB 3.1Å; V169-C175 PolarHBondContact O-SG 2.67Å
170P84.1Confident91Very high24 Ų2470.7 Ų70.716%0.15633%0.328CS..THydrogen-bonded Turntrans-51.3-32.9-174.3-34.739.8000116.6F6 H7 R168 S172F6-P170 HydrophobicContact CD1-CG 4.22Å; H7-P170 VanDerWaalsContact O-CB 3.28Å; H7-P170 WeakPolarHBondContact O-CB 3.48Å; H7-P170 WeakPolarHBondContact O-CG 3.38Å; R168-P170 WeakPolarHBondContact O-CD 3.48Å; P170-S172 VanDerWaalsContact C-N 3.34Å
171F81.6Confident90.7Very high191 Ų19171 Ų7184%0.83833%0.327SS*.THydrogen-bonded Turntrans-87.9-0.1-178.3-53.8-69.5000113.8V169V169-F171 PolarHBondContact O-N 3.46Å
172S88.4Confident90.5Very high28 Ų2874.7 Ų74.720%0.19634%0.341CS..SBendtrans-81.1132.3173.3-176.80000109.9M167 V169 P170 T174 C175M167-S172 VanDerWaalsContact CG-CB 3.44Å; M167-S172 WeakPolarHBondContact CG-OG 3.29Å; V169-S172 WeakPolarHBondContact O-CB 3.41Å; V169-S172 PolarHBondContact O-N 2.95Å; P170-S172 VanDerWaalsContact C-N 3.34Å; S172-T174 PolarHBondContact O-N 3.14Å; S172-T174 PolarHBondContact OG-N 3.42Å; S172-T174 PolarHBondContact OG-OG1 3.38Å; S172-C175 WeakPolarHBondContact O-CB 3.44Å; S172-C175 PolarHBondContact O-N 3.44Å
173K86.7Confident90.5Very high133 Ų13369.5 Ų69.558%0.57832%0.324SS*.THydrogen-bonded Turntrans-54.9-26169.670.7179.7-175.91750113.1Y104Y104-K173 HydrophobicContact CE1-CB 4.29Å; Y104-K173 WeakPolarHBondContact CE1-O 3.25Å
174T90.8Very high90.5Very high42 Ų4266.2 Ų66.226%0.25832%0.315SS..THydrogen-bonded Turntrans-96.39.1178.662.70000113.8S172 T176 L216S172-T174 PolarHBondContact O-N 3.14Å; S172-T174 PolarHBondContact OG-N 3.42Å; S172-T174 PolarHBondContact OG-OG1 3.38Å; T174-T176 PolarHBondContact O-N 3.44Å; T174-T176 VanDerWaalsContact O-N 3.14Å; T174-T176 PolarHBondContact O-OG1 3.44Å; T174-L216 HydrophobicContact CG2-CD2 4.16Å
175C91.8Very high90.7Very high1 Ų169.5 Ų69.51%0.00733%0.327CS..  trans-57.2120.3-179.7-167.80000110.1C8 T11 M167 V169 S172 H215C8-C175 VanDerWaalsContact CA-SG 3.6Å; C8-C175 HydrophobicContact CB-CB 3.65Å; C8-C175 WeakPolarHBondContact CB-SG 3.35Å; C8-C175 WeakPolarHBondContact SG-CB 3.23Å; C8-C175 CovalentContact SG-SG 2.03Å; C8-C175 PolarHBondContact SG-SG 2.94Å; T11-C175 WeakPolarHBondContact CG2-O 3.46Å; M167-C175 CarbonylContact O-C 3.59Å; M167-C175 WeakPolarHBondContact O-CA 3.26Å; V169-C175 VanDerWaalsContact O-CB 3.23Å; V169-C175 WeakPolarHBondContact O-CB 3.1Å; V169-C175 PolarHBondContact O-SG 2.67Å; S172-C175 WeakPolarHBondContact O-CB 3.44Å; S172-C175 PolarHBondContact O-N 3.44Å; C175-H215 PolarHBondContact O-CE1 3.47Å
176T90.6Very high90.7Very high0 Ų066.4 Ų66.40%031%0.305CS..  trans-113.5122.4174.9-63.50000108.2V166 M167 R168 T174 H180 Y186 H215V166-T176 HydrophobicContact CG1-CG2 4.32Å; M167-T176 PolarHBondContact O-N 3.32Å; R168-T176 WeakPolarHBondContact CD-O 3.47Å; R168-T176 PolarHBondContact NH1-O 3.09Å; T174-T176 PolarHBondContact O-N 3.44Å; T174-T176 VanDerWaalsContact O-N 3.14Å; T174-T176 PolarHBondContact O-OG1 3.44Å; T176-H180 HydrophobicContact CG2-CB 4.03Å; T176-Y186 WeakPolarHBondContact CB-OH 3.46Å; T176-Y186 PolarHBondContact OG1-OH 3.17Å; T176-H215 PolarHBondContact OG1-CE1 3.19Å
177A88.2Confident90.8Very high7 Ų766.7 Ų66.76%0.05831%0.306CS..  trans-75.6155177.900000111.7C8 R168 K179 H180 Y181C8-A177 HydrophobicContact CB-CB 4.33Å; C8-A177 PolarHBondContact SG-N 3.03Å; C8-A177 VanDerWaalsContact SG-N 3.4Å; R168-A177 PolarHBondContact NH1-O 3.45Å; R168-A177 VanDerWaalsContact NH1-O 3.11Å; A177-K179 HydrophobicContact CB-CG 4.02Å; A177-K179 PolarHBondContact O-N 2.91Å; A177-K179 VanDerWaalsContact O-N 3.14Å; A177-H180 PolarHBondContact O-N 3.38Å; A177-Y181 PolarHBondContact O-N 3.49Å
178F89.9Confident91Very high87 Ų8765.7 Ų65.738%0.38231%0.306SS..THydrogen-bonded Turntrans-57.6-29.9179.7-82.7-79.5000112.8R168 H180 Y181R168-F178 HydrophobicContact CG-CE2 4.48Å; R168-F178 VanDerWaalsContact NH1-N 3.17Å; F178-H180 VanDerWaalsContact C-N 3.27Å; F178-H180 PolarHBondContact O-N 2.96Å; F178-Y181 WeakPolarHBondContact CA-O 3.38Å; F178-Y181 CarbonylContact O-C 3.48Å; F178-Y181 PolarHBondContact O-N 3.5Å
179K85.9Confident91.3Very high123 Ų12364.4 Ų64.454%0.53530%0.301SS..THydrogen-bonded Turntrans-63.4-27.4175.373-173.9-171.1-170.10114E12 A177E12-K179 WeakPolarHBondContact OE1-CE 3.18Å; E12-K179 IonicContact OE1-NZ 2.75Å; E12-K179 PolarHBondContact OE1-NZ 3.12Å; A177-K179 HydrophobicContact CB-CG 4.02Å; A177-K179 PolarHBondContact O-N 2.91Å; A177-K179 VanDerWaalsContact O-N 3.14Å
180H86.9Confident91.7Very high39 Ų3960.7 Ų60.718%0.18128%0.279CS..THydrogen-bonded Turntrans-93.4-30.4178.6-62.3-51.4000112.7T15 T176 A177 F178T15-H180 WeakPolarHBondContact CG2-CE1 3.38Å; T15-H180 WeakPolarHBondContact CG2-NE2 3.4Å; T176-H180 HydrophobicContact CG2-CB 4.03Å; A177-H180 PolarHBondContact O-N 3.38Å; F178-H180 VanDerWaalsContact C-N 3.27Å; F178-H180 PolarHBondContact O-N 2.96Å
181Y91.4Very high92.3Very high18 Ų1861.8 Ų61.87%0.07128%0.281CS..  trans-154.8118176.1-173.1-110.3000109.4V166 R168 A177 F178 K183 F185 Y186 P187 L224V166-Y181 HydrophobicContact CG1-CD1 4.37Å; V166-Y181 HydrophobicContact CG2-CD1 3.52Å; V166-Y181 HydrophobicContact CG2-CE1 3.49Å; V166-Y181 VanDerWaalsContact CG2-CE1 3.49Å; R168-Y181 VanDerWaalsContact CZ-O 3.32Å; R168-Y181 PolarHBondContact NH1-O 3.4Å; R168-Y181 PolarHBondContact NH2-O 3.28Å; A177-Y181 PolarHBondContact O-N 3.49Å; F178-Y181 WeakPolarHBondContact CA-O 3.38Å; F178-Y181 CarbonylContact O-C 3.48Å; F178-Y181 PolarHBondContact O-N 3.5Å; Y181-K183 HydrophobicContact CD1-CB 4.4Å; Y181-K183 HydrophobicContact CE1-CB 3.68Å; Y181-K183 HydrophobicContact CE2-CB 4.48Å; Y181-K183 HydrophobicContact CE2-CD 4.37Å; Y181-K183 WeakPolarHBondContact OH-CD 3.49Å; Y181-F185 WeakPolarHBondContact CE1-O 3.46Å; Y181-F185 PolarHBondContact OH-O 2.93Å; Y181-Y186 AromaticContact CD1-CD1 3.92Å; Y181-Y186 HydrophobicContact CD1-CD1 3.92Å; Y181-Y186 AromaticContact CD1-CE1 3.73Å; Y181-Y186 HydrophobicContact CD1-CE1 3.73Å; Y181-Y186 AromaticContact CE1-CD1 3.58Å; Y181-Y186 HydrophobicContact CE1-CD1 3.58Å; Y181-Y186 AromaticContact CE1-CE1 3.9Å; Y181-Y186 HydrophobicContact CE1-CE1 3.9Å; Y181-Y186 HydrophobicContact CE1-CG 4.42Å; Y181-Y186 HydrophobicContact CG-CE1 4.22Å; Y181-Y186 AromaticContact CZ-CD1 3.97Å; Y181-P187 WeakPolarHBondContact OH-CD 3.34Å; Y181-L224 HydrophobicContact CD2-CD2 4.15Å; Y181-L224 HydrophobicContact CE2-CD2 3.49Å; Y181-L224 VanDerWaalsContact CE2-CD2 3.49Å
182W92.3Very high93Very high187 Ų18753 Ų5371%0.70825%0.245SC*.  trans-87.7-23.8-168.762.4-93.8000113.8
183K95Very high93.4Very high67 Ų6752.5 Ų52.529%0.29124%0.239SC..SBendtrans-72.9160.8-179.1-59.3177.2-178.2171.90111.4R168 Y181 E227R168-K183 PolarHBondContact NH2-O 2.99Å; Y181-K183 HydrophobicContact CD1-CB 4.4Å; Y181-K183 HydrophobicContact CE1-CB 3.68Å; Y181-K183 HydrophobicContact CE2-CB 4.48Å; Y181-K183 HydrophobicContact CE2-CD 4.37Å; Y181-K183 WeakPolarHBondContact OH-CD 3.49Å; K183-E227 IonicContact NZ-OE1 3.23Å; K183-E227 PolarHBondContact NZ-OE1 3.5Å; K183-E227 IonicContact NZ-OE2 3.33Å
184H95.6Very high94Very high120 Ų12046.1 Ų46.156%0.55621%0.211SC*.SBendtrans-83.6-24.9177.5-67.7-69000114.3V166V166-H184 WeakPolarHBondContact CG2-O 3.38Å; V166-H184 PolarHBondContact N-O 3.44Å
185F97.2Very high94.4Very high113 Ų11344.1 Ų44.150%0.49620%0.199SC..BIsolated β-bridgetrans-124.5143-178.8-61.1-84.5000110Y163 D164 C165 Y181Y163-F185 WeakPolarHBondContact O-CD1 3.42Å; D164-F185 WeakPolarHBondContact O-CA 3.45Å; C165-F185 HydrophobicContact CB-CD1 4.43Å; C165-F185 HydrophobicContact CB-CE1 4.29Å; Y181-F185 WeakPolarHBondContact CE1-O 3.46Å; Y181-F185 PolarHBondContact OH-O 2.93Å
186Y97.3Very high94.7Very high14 Ų1444.1 Ų44.16%0.05520%0.199CC..PPolyproline II helixtrans-73.8152.8168.3-65.2-64000110.6D164 V166 T176 Y181 F214 I219D164-Y186 PolarHBondContact O-N 3.45Å; D164-Y186 VanDerWaalsContact O-N 3.08Å; V166-Y186 HydrophobicContact CB-CE2 4.03Å; V166-Y186 HydrophobicContact CG1-CE1 4.25Å; V166-Y186 HydrophobicContact CG1-CE2 4.08Å; V166-Y186 WeakPolarHBondContact CG1-OH 3.42Å; V166-Y186 HydrophobicContact CG2-CD1 3.95Å; V166-Y186 HydrophobicContact CG2-CD2 3.9Å; V166-Y186 HydrophobicContact CG2-CE1 3.81Å; V166-Y186 HydrophobicContact CG2-CE2 3.76Å; V166-Y186 HydrophobicContact CG2-CG 4.02Å; T176-Y186 WeakPolarHBondContact CB-OH 3.46Å; T176-Y186 PolarHBondContact OG1-OH 3.17Å; Y181-Y186 AromaticContact CD1-CD1 3.92Å; Y181-Y186 HydrophobicContact CD1-CD1 3.92Å; Y181-Y186 AromaticContact CD1-CE1 3.73Å; Y181-Y186 HydrophobicContact CD1-CE1 3.73Å; Y181-Y186 AromaticContact CE1-CD1 3.58Å; Y181-Y186 HydrophobicContact CE1-CD1 3.58Å; Y181-Y186 AromaticContact CE1-CE1 3.9Å; Y181-Y186 HydrophobicContact CE1-CE1 3.9Å; Y181-Y186 HydrophobicContact CE1-CG 4.42Å; Y181-Y186 HydrophobicContact CG-CE1 4.22Å; Y181-Y186 AromaticContact CZ-CD1 3.97Å; Y186-F214 HydrophobicContact CE1-CZ 4.07Å; Y186-I219 HydrophobicContact CD1-CD1 4.14Å; Y186-I219 HydrophobicContact CD1-CG2 3.47Å; Y186-I219 VanDerWaalsContact CD1-CG2 3.47Å; Y186-I219 HydrophobicContact CD2-CD1 3.64Å; Y186-I219 HydrophobicContact CE1-CD1 3.9Å; Y186-I219 HydrophobicContact CE1-CG2 3.73Å; Y186-I219 HydrophobicContact CE2-CD1 3.37Å; Y186-I219 HydrophobicContact CG-CD1 3.99Å; Y186-I219 HydrophobicContact CG-CG2 3.95Å; Y186-I219 VanDerWaalsContact CZ-CD1 3.47Å
187P97.4Very high95Very high9 Ų944.1 Ų44.16%0.05820%0.199CC..PPolyproline II helixtrans-61167.4164.430.9-37.4000110.4Y181 Y189 L224 E227Y181-P187 WeakPolarHBondContact OH-CD 3.34Å; P187-Y189 PolarHBondContact O-N 3.19Å; P187-L224 HydrophobicContact CG-CD2 3.86Å; P187-L224 HydrophobicContact CG-CG 4.48Å; P187-E227 HydrophobicContact CB-CB 4.11Å; P187-E227 HydrophobicContact CB-CG 4.26Å; P187-E227 HydrophobicContact CG-CB 4.34Å
188P98.2Very high95.5Very high57 Ų5743.8 Ų43.837%0.3720%0.196SC..SBendtrans-51.3129.6170.7-25.535.3000111.3R161 R162 G223 L234R161-P188 WeakPolarHBondContact O-CA 3.37Å; R162-P188 HydrophobicContact CG-CB 4.04Å; R162-P188 HydrophobicContact CG-CG 4.06Å; P188-G223 WeakPolarHBondContact O-CA 3.39Å; P188-L234 HydrophobicContact CB-CD2 3.64Å
189Y98.3Very high95.8Very high15 Ų1540.5 Ų40.56%0.05919%0.185CC..EExtended strand (participates in β ladder)trans-147.1165.8-17977.6-80.4000110.1C160 R161 D164 P187 I219C160-Y189 CarbonylContact C-O 3.58Å; C160-Y189 WeakPolarHBondContact CA-O 3.36Å; C160-Y189 VanDerWaalsContact CB-O 3.25Å; C160-Y189 WeakPolarHBondContact CB-O 3.22Å; R161-Y189 PolarHBondContact N-O 3.33Å; R161-Y189 PolarHBondContact O-N 3.42Å; D164-Y189 HydrophobicContact CB-CE1 3.79Å; D164-Y189 PolarHBondContact OD2-OH 3.09Å; D164-Y189 VanDerWaalsContact OD2-OH 3.06Å; P187-Y189 PolarHBondContact O-N 3.19Å; Y189-I219 HydrophobicContact CD1-CG1 4.36Å; Y189-I219 HydrophobicContact CD2-CG1 3.64Å; Y189-I219 HydrophobicContact CE1-CG1 4.37Å; Y189-I219 HydrophobicContact CE2-CD1 4.37Å; Y189-I219 HydrophobicContact CE2-CG1 3.65Å; Y189-I219 HydrophobicContact CG-CG1 4.02Å
190C98.4Very high96.4Very high0 Ų037.7 Ų37.70%018%0.176CC..EExtended strand (participates in β ladder)trans-108.9145.9174.7-45.20000111.5Y159 C160 D218 T222 L234Y159-C190 CarbonylContact O-C 3.32Å; Y159-C190 WeakPolarHBondContact O-CA 3.29Å; Y159-C190 WeakPolarHBondContact O-CB 3.4Å; C160-C190 HydrophobicContact CB-CB 3.98Å; C160-C190 WeakPolarHBondContact CB-SG 3.43Å; C160-C190 WeakPolarHBondContact SG-CB 3.41Å; C160-C190 CovalentContact SG-SG 2.05Å; C160-C190 PolarHBondContact SG-SG 3.43Å; C190-D218 WeakPolarHBondContact O-CB 3.43Å; C190-T222 HydrophobicContact CB-CG2 4.41Å; C190-T222 PolarHBondContact N-OG1 3.49Å; C190-T222 PolarHBondContact O-OG1 3.48Å; C190-L234 WeakPolarHBondContact SG-CD1 3.31Å
191F97.5Very high96.9Very high46 Ų4635.8 Ų35.820%0.20217%0.167CC..EExtended strand (participates in β ladder)trans-60.5145.6-179.4-81.8-72.4000113.4Y159 R161 F193Y159-F191 AromaticContact CD2-CD2 3.52Å; Y159-F191 HydrophobicContact CD2-CD2 3.52Å; Y159-F191 AromaticContact CD2-CE2 3.68Å; Y159-F191 HydrophobicContact CD2-CE2 3.68Å; Y159-F191 HydrophobicContact CE2-CD2 4.13Å; Y159-F191 AromaticContact CE2-CE2 3.8Å; Y159-F191 HydrophobicContact CE2-CE2 3.8Å; Y159-F191 AromaticContact CG-CD2 3.88Å; Y159-F191 HydrophobicContact CG-CD2 3.88Å; Y159-F191 HydrophobicContact CG-CE2 4.37Å; Y159-F191 WeakPolarHBondContact O-CD2 3.29Å; Y159-F191 PolarHBondContact O-N 2.86Å; R161-F191 VanDerWaalsContact CD-CE2 3.5Å; R161-F191 VanDerWaalsContact CD-CZ 3.46Å; R161-F191 HydrophobicContact CG-CE2 3.67Å; R161-F191 HydrophobicContact CG-CZ 4.13Å; R161-F191 VanDerWaalsContact NE-CZ 3.26Å; F191-F193 HydrophobicContact CB-CD1 3.49Å; F191-F193 VanDerWaalsContact CB-CD1 3.49Å; F191-F193 HydrophobicContact CB-CE1 3.28Å; F191-F193 HydrophobicContact CB-CZ 4.2Å; F191-F193 HydrophobicContact CD2-CE1 4.18Å; F191-F193 HydrophobicContact CG-CD1 4.26Å; F191-F193 AromaticContact CG-CE1 3.86Å; F191-F193 HydrophobicContact CG-CE1 3.86Å; F191-F193 PolarHBondContact O-N 3.21Å
192G95.7Very high97.2Very high8 Ų835 Ų358%0.08216%0.164CC..EExtended strand (participates in β ladder)trans-61.3-34.2-176.300000115.9R130 T194 D218R130-G192 PolarHBondContact NH1-O 3.16Å; G192-T194 PolarHBondContact O-N 3.5Å; G192-D218 VanDerWaalsContact N-CB 3.28Å; G192-D218 PolarHBondContact N-OD2 2.81Å
193F97.2Very high97.5Very high16 Ų1632.9 Ų32.97%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-49.7-39.9-170.362.4-103.4000114D132 V135 Y159 F191 F241 S243D132-F193 PolarHBondContact N-O 3.04Å; D132-F193 VanDerWaalsContact OD2-CA 3.29Å; D132-F193 WeakPolarHBondContact OD2-CA 3.43Å; V135-F193 HydrophobicContact CG2-CB 3.9Å; Y159-F193 HydrophobicContact CD1-CZ 4.41Å; Y159-F193 HydrophobicContact CG-CZ 4.41Å; F191-F193 HydrophobicContact CB-CD1 3.49Å; F191-F193 VanDerWaalsContact CB-CD1 3.49Å; F191-F193 HydrophobicContact CB-CE1 3.28Å; F191-F193 HydrophobicContact CB-CZ 4.2Å; F191-F193 HydrophobicContact CD2-CE1 4.18Å; F191-F193 HydrophobicContact CG-CD1 4.26Å; F191-F193 AromaticContact CG-CE1 3.86Å; F191-F193 HydrophobicContact CG-CE1 3.86Å; F191-F193 PolarHBondContact O-N 3.21Å; F193-F241 HydrophobicContact CE2-CB 3.75Å; F193-F241 HydrophobicContact CE2-CD1 4.48Å; F193-F241 HydrophobicContact CZ-CB 3.97Å; F193-S243 VanDerWaalsContact CD1-OG 3.22Å; F193-S243 WeakPolarHBondContact CD1-OG 2.97Å; F193-S243 WeakPolarHBondContact CE1-OG 3.19Å
194T98.6Very high97.7Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-158138.3165.9-65.40000111V129 R130 V135 L137 G192 F241 S258V129-T194 HydrophobicContact CG1-CG2 4.32Å; R130-T194 VanDerWaalsContact O-CA 3.26Å; R130-T194 WeakPolarHBondContact O-CA 3.42Å; R130-T194 WeakPolarHBondContact O-CG2 3.47Å; V135-T194 WeakPolarHBondContact CG1-OG1 3.27Å; L137-T194 HydrophobicContact CD2-CG2 3.85Å; G192-T194 PolarHBondContact O-N 3.5Å; T194-F241 HydrophobicContact CG2-CD1 4.15Å; T194-F241 HydrophobicContact CG2-CE1 3.87Å; T194-S258 WeakPolarHBondContact OG1-CB 3.08Å
195Y98.6Very high97.8Very high0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-143.5153.6168.452.6-101.1000111.8R130 V157 L197 D217 V221 T222R130-Y195 HydrophobicContact CB-CD2 3.97Å; R130-Y195 HydrophobicContact CB-CE1 4.23Å; R130-Y195 HydrophobicContact CB-CE2 3.46Å; R130-Y195 VanDerWaalsContact CB-CE2 3.46Å; R130-Y195 HydrophobicContact CG-CE1 4.11Å; R130-Y195 HydrophobicContact CG-CE2 4.01Å; R130-Y195 WeakPolarHBondContact CG-OH 3.13Å; R130-Y195 PolarHBondContact N-O 3.25Å; R130-Y195 VanDerWaalsContact N-O 3.07Å; R130-Y195 PolarHBondContact O-N 3.43Å; R130-Y195 VanDerWaalsContact O-N 3.17Å; V157-Y195 WeakPolarHBondContact O-CA 3.16Å; Y195-L197 HydrophobicContact CD2-CD1 4.19Å; Y195-L197 HydrophobicContact CD2-CD2 4.2Å; Y195-L197 HydrophobicContact CD2-CG 3.98Å; Y195-L197 HydrophobicContact CE2-CD1 3.91Å; Y195-L197 HydrophobicContact CE2-CG 4.23Å; Y195-D217 PolarHBondContact OH-OD2 3.14Å; Y195-V221 HydrophobicContact CE2-CG1 4.02Å; Y195-T222 HydrophobicContact CD1-CG2 3.99Å; Y195-T222 HydrophobicContact CD2-CG2 4.12Å; Y195-T222 HydrophobicContact CE1-CG2 4.39Å; Y195-T222 HydrophobicContact CG-CG2 3.84Å
196L98.4Very high97.7Very high0 Ų021.8 Ų21.80%011%0.114CC..EExtended strand (participates in β ladder)trans-109.6137.1177-41.6-179.8000109.5L127 V128 V129 L142 Y145 F152 I156 V157 F241 I257L127-L196 HydrophobicContact CD1-CB 4.04Å; V128-L196 CarbonylContact O-C 3.57Å; V128-L196 WeakPolarHBondContact O-CA 3.26Å; V129-L196 HydrophobicContact CB-CD2 4.09Å; V129-L196 HydrophobicContact CG1-CD2 3.7Å; V129-L196 HydrophobicContact CG2-CD2 3.59Å; L142-L196 HydrophobicContact CD1-CD1 3.91Å; L142-L196 HydrophobicContact CD1-CD2 4.14Å; Y145-L196 HydrophobicContact CD1-CD1 4.35Å; Y145-L196 HydrophobicContact CE1-CD1 4.37Å; F152-L196 HydrophobicContact CE1-CB 4.47Å; F152-L196 HydrophobicContact CZ-CB 4.09Å; I156-L196 CarbonylContact C-O 3.56Å; I156-L196 VanDerWaalsContact CA-O 3.27Å; I156-L196 WeakPolarHBondContact CA-O 3.46Å; V157-L196 HydrophobicContact CB-CB 4.13Å; V157-L196 HydrophobicContact CB-CD1 4.16Å; V157-L196 HydrophobicContact CB-CG 4.26Å; V157-L196 HydrophobicContact CG1-CD1 4.43Å; V157-L196 PolarHBondContact N-O 3.12Å; V157-L196 PolarHBondContact O-N 2.84Å; L196-F241 HydrophobicContact CD1-CZ 3.93Å; L196-F241 HydrophobicContact CD2-CE1 4.42Å; L196-F241 HydrophobicContact CD2-CZ 4.41Å; L196-F241 HydrophobicContact CG-CE1 4.22Å; L196-F241 HydrophobicContact CG-CZ 3.86Å; L196-I257 HydrophobicContact CD1-CD1 4.39Å
197L97.9Very high97.7Very high0 Ų025.3 Ų25.30%015%0.146CC..EExtended strand (participates in β ladder)trans-126.3135.7178.2-57.3170.8000109.4F115 V128 I156 Y195 A199 V221F115-L197 HydrophobicContact CE1-CD1 3.86Å; F115-L197 HydrophobicContact CE2-CD1 4.16Å; F115-L197 HydrophobicContact CZ-CD1 3.32Å; V128-L197 HydrophobicContact CB-CB 4.34Å; V128-L197 PolarHBondContact N-O 2.69Å; V128-L197 PolarHBondContact O-N 2.75Å; I156-L197 HydrophobicContact CB-CD2 4.13Å; I156-L197 HydrophobicContact CD1-CD2 3.53Å; I156-L197 HydrophobicContact CG1-CD2 3.47Å; I156-L197 VanDerWaalsContact CG1-CD2 3.47Å; I156-L197 HydrophobicContact CG2-CD2 3.86Å; Y195-L197 HydrophobicContact CD2-CD1 4.19Å; Y195-L197 HydrophobicContact CD2-CD2 4.2Å; Y195-L197 HydrophobicContact CD2-CG 3.98Å; Y195-L197 HydrophobicContact CE2-CD1 3.91Å; Y195-L197 HydrophobicContact CE2-CG 4.23Å; L197-A199 PolarHBondContact O-N 2.92Å; L197-V221 HydrophobicContact CD1-CG1 3.94Å; L197-V221 HydrophobicContact CD2-CG1 4.26Å
198S97.5Very high97.6Very high0 Ų026.5 Ų26.50%016%0.155CC..EExtended strand (participates in β ladder)trans-68.5132.9166.666.20000108.9F152 R154 T155 D200 L201F152-S198 VanDerWaalsContact CE1-N 3.27Å; F152-S198 WeakPolarHBondContact O-CB 3.27Å; R154-S198 WeakPolarHBondContact CA-OG 3.28Å; R154-S198 PolarHBondContact N-OG 2.72Å; T155-S198 PolarHBondContact N-OG 3.26Å; T155-S198 PolarHBondContact O-N 2.74Å; S198-D200 WeakPolarHBondContact CB-OD1 3.43Å; S198-D200 PolarHBondContact O-N 3.07Å; S198-D200 VanDerWaalsContact O-N 3.08Å; S198-D200 PolarHBondContact OG-OD1 3.1Å; S198-L201 WeakPolarHBondContact O-CB 3.17Å; S198-L201 PolarHBondContact O-N 2.9Å; S198-L201 WeakPolarHBondContact OG-CG 3.45Å
199A97.4Very high97.4Very high18 Ų1825.1 Ų25.115%0.14914%0.143CC..G310 helixtrans-62.7-23.3-169.200000113.3A125 Q126 V128 L197 L201 L202A125-A199 VanDerWaalsContact C-CB 3.43Å; A125-A199 HydrophobicContact CB-CB 3.86Å; A125-A199 WeakPolarHBondContact O-CB 3.34Å; Q126-A199 PolarHBondContact O-N 2.88Å; V128-A199 HydrophobicContact CG2-CB 4.26Å; L197-A199 PolarHBondContact O-N 2.92Å; A199-L201 PolarHBondContact O-N 3.26Å; A199-L202 PolarHBondContact O-N 3.11Å
200D97.2Very high97Very high64 Ų6426.1 Ų26.134%0.34215%0.151SC..G310 helixtrans-65.1-18174.967-59.8000113.7R154 S198 P204R154-D200 WeakPolarHBondContact CG-OD2 3.25Å; R154-D200 PolarHBondContact N-OD1 3.29Å; R154-D200 PolarHBondContact N-OD2 3.31Å; S198-D200 WeakPolarHBondContact CB-OD1 3.43Å; S198-D200 PolarHBondContact O-N 3.07Å; S198-D200 VanDerWaalsContact O-N 3.08Å; S198-D200 PolarHBondContact OG-OD1 3.1Å; D200-P204 VanDerWaalsContact O-CD 3.27Å; D200-P204 WeakPolarHBondContact O-CD 3.32Å
201L98.2Very high96.2Very high0 Ų029.7 Ų29.70%017%0.174CC..G310 helixtrans-75.5-24.6176.3-70.8174.7000113.3R154 I156 S198 A199 K203 P204 L205 V232R154-L201 HydrophobicContact CB-CD2 4.11Å; R154-L201 HydrophobicContact CG-CD2 4.34Å; I156-L201 HydrophobicContact CD1-CD1 4.22Å; I156-L201 HydrophobicContact CG1-CD1 3.64Å; S198-L201 WeakPolarHBondContact O-CB 3.17Å; S198-L201 PolarHBondContact O-N 2.9Å; S198-L201 WeakPolarHBondContact OG-CG 3.45Å; A199-L201 PolarHBondContact O-N 3.26Å; L201-K203 VanDerWaalsContact C-N 3.35Å; L201-K203 PolarHBondContact O-N 2.73Å; L201-P204 VanDerWaalsContact O-CD 3.28Å; L201-P204 WeakPolarHBondContact O-CD 3.35Å; L201-L205 HydrophobicContact CB-CD1 3.89Å; L201-L205 HydrophobicContact CB-CG 4.24Å; L201-L205 WeakPolarHBondContact O-CB 3.4Å; L201-L205 WeakPolarHBondContact O-CG 3.04Å; L201-L205 PolarHBondContact O-N 2.69Å; L201-V232 HydrophobicContact CD1-CG1 4Å; L201-V232 HydrophobicContact CD2-CG1 4.29Å; L201-V232 HydrophobicContact CD2-CG2 3.68Å
202L98.2Very high95.5Very high1 Ų132.4 Ų32.41%0.00519%0.191CC..Hα-helixtrans-59.3-44.7-170.4-87.360.9000112.2F115 I118 V119 V128 A199 L205 L206F115-L202 HydrophobicContact CB-CD2 4.33Å; F115-L202 HydrophobicContact CB-CG 4.23Å; F115-L202 HydrophobicContact CD1-CD2 4.28Å; F115-L202 HydrophobicContact CD1-CG 4.15Å; F115-L202 HydrophobicContact CD2-CG 4.31Å; F115-L202 HydrophobicContact CG-CD2 4.35Å; F115-L202 HydrophobicContact CG-CG 3.98Å; I118-L202 HydrophobicContact CB-CD2 3.74Å; I118-L202 HydrophobicContact CD1-CD2 4.27Å; I118-L202 HydrophobicContact CG2-CD2 3.52Å; V119-L202 HydrophobicContact CG2-CB 3.6Å; V119-L202 HydrophobicContact CG2-CD2 4.15Å; V128-L202 HydrophobicContact CB-CD1 4.3Å; V128-L202 HydrophobicContact CG2-CD1 3.86Å; V128-L202 HydrophobicContact CG2-CD2 3.92Å; A199-L202 PolarHBondContact O-N 3.11Å; L202-L205 PolarHBondContact O-N 2.81Å; L202-L206 WeakPolarHBondContact O-CB 3.19Å; L202-L206 WeakPolarHBondContact O-CG 3.16Å; L202-L206 PolarHBondContact O-N 2.79Å
203K97.9Very high94.7Very high142 Ų14232.5 Ų32.562%0.61719%0.189SC*.Hα-helixtrans-63.6-52.2179.6-72.9-178.8-177.7-177.20112.4V119 L201 L205 L206 A207V119-K203 HydrophobicContact CG1-CD 4.38Å; V119-K203 HydrophobicContact CG1-CG 3.82Å; V119-K203 HydrophobicContact CG2-CG 3.98Å; L201-K203 VanDerWaalsContact C-N 3.35Å; L201-K203 PolarHBondContact O-N 2.73Å; K203-L205 PolarHBondContact O-N 2.99Å; K203-L206 PolarHBondContact O-N 2.92Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.23Å
204P98Very high94.4Very high34 Ų3432.1 Ų32.122%0.22119%0.187CC..Hα-helixtrans-56.1-43.7172.3-27.633.2000114D200 L201 L206 A207 S208 L229D200-P204 VanDerWaalsContact O-CD 3.27Å; D200-P204 WeakPolarHBondContact O-CD 3.32Å; L201-P204 VanDerWaalsContact O-CD 3.28Å; L201-P204 WeakPolarHBondContact O-CD 3.35Å; P204-L206 PolarHBondContact O-N 3.3Å; P204-A207 PolarHBondContact O-N 2.95Å; P204-S208 WeakPolarHBondContact O-CB 3.31Å; P204-S208 PolarHBondContact O-N 3.21Å; P204-S208 PolarHBondContact O-OG 3.16Å; P204-L229 HydrophobicContact CB-CD1 3.76Å; P204-L229 HydrophobicContact CB-CD2 3.83Å; P204-L229 HydrophobicContact CB-CG 4.48Å
205L97.8Very high93.9Very high0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-61.9-43.8179.1-69.3173.4000111.5F115 L201 L202 K203 S208 W209 V221 L225 L229F115-L205 HydrophobicContact CE2-CD1 4.09Å; L201-L205 HydrophobicContact CB-CD1 3.89Å; L201-L205 HydrophobicContact CB-CG 4.24Å; L201-L205 WeakPolarHBondContact O-CB 3.4Å; L201-L205 WeakPolarHBondContact O-CG 3.04Å; L201-L205 PolarHBondContact O-N 2.69Å; L202-L205 PolarHBondContact O-N 2.81Å; K203-L205 PolarHBondContact O-N 2.99Å; L205-S208 CarbonylContact O-C 3.33Å; L205-S208 PolarHBondContact O-N 2.94Å; L205-W209 PolarHBondContact O-N 2.62Å; L205-W209 VanDerWaalsContact O-N 3.07Å; L205-V221 HydrophobicContact CD1-CG1 4.48Å; L205-L225 HydrophobicContact CB-CD1 4.33Å; L205-L225 HydrophobicContact CD2-CB 3.41Å; L205-L225 VanDerWaalsContact CD2-CB 3.41Å; L205-L225 HydrophobicContact CD2-CD1 4.09Å; L205-L225 HydrophobicContact CD2-CG 4.38Å; L205-L229 HydrophobicContact CD2-CD1 3.85Å; L205-L229 HydrophobicContact CG-CD1 4.35Å
206L96.1Very high93.7Very high33 Ų3332.3 Ų32.317%0.17319%0.188CC..Hα-helixtrans-64.2-42175.4-74.1169.7000112.2H112 F115 K116 V119 L202 K203 P204 S208 W209H112-L206 VanDerWaalsContact CD2-CD2 3.49Å; H112-L206 WeakPolarHBondContact CD2-CD2 3.3Å; F115-L206 HydrophobicContact CB-CD1 4.07Å; F115-L206 HydrophobicContact CB-CD2 3.88Å; F115-L206 HydrophobicContact CB-CG 4.05Å; K116-L206 HydrophobicContact CG-CD1 4Å; K116-L206 HydrophobicContact CG-CD2 3.77Å; V119-L206 HydrophobicContact CG2-CD1 3.96Å; L202-L206 WeakPolarHBondContact O-CB 3.19Å; L202-L206 WeakPolarHBondContact O-CG 3.16Å; L202-L206 PolarHBondContact O-N 2.79Å; K203-L206 PolarHBondContact O-N 2.92Å; P204-L206 PolarHBondContact O-N 3.3Å; L206-S208 PolarHBondContact O-N 3.25Å; L206-W209 WeakPolarHBondContact O-CB 3.34Å; L206-W209 PolarHBondContact O-N 3.02Å
207A96.2Very high93.5Very high88 Ų8832.7 Ų32.773%0.72719%0.19SC*.Hα-helixtrans-66.4-27178.300000112.8K203 P204K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.23Å; P204-A207 PolarHBondContact O-N 2.95Å
208S95.6Very high93.5Very high35 Ų3533.7 Ų33.725%0.24520%0.195CC..THydrogen-bonded Turntrans-97.14.6177.9-65.40000113.7P204 L205 L206 L225P204-S208 WeakPolarHBondContact O-CB 3.31Å; P204-S208 PolarHBondContact O-N 3.21Å; P204-S208 PolarHBondContact O-OG 3.16Å; L205-S208 CarbonylContact O-C 3.33Å; L205-S208 PolarHBondContact O-N 2.94Å; L206-S208 PolarHBondContact O-N 3.25Å; S208-L225 WeakPolarHBondContact O-CD2 3.39Å
209W94.1Very high93.5Very high28 Ų2833.9 Ų33.911%0.10620%0.196CC..  trans-61.6129.8-176.5-157.5-84.8000110.8F19 H112 F115 L205 L206 L220 V221 L225F19-W209 AromaticContact CD1-NE1 3.51Å; F19-W209 AromaticContact CE1-NE1 3.97Å; H112-W209 HydrophobicContact CB-CH2 4.02Å; H112-W209 HydrophobicContact CB-CZ2 3.72Å; H112-W209 AromaticContact CD2-CD1 3.95Å; H112-W209 AromaticContact CD2-CD2 3.48Å; H112-W209 VanDerWaalsContact CD2-CD2 3.48Å; H112-W209 AromaticContact CD2-CE2 3.7Å; H112-W209 AromaticContact CD2-CE3 3.88Å; H112-W209 AromaticContact CD2-CG 3.66Å; H112-W209 AromaticContact CD2-NE1 3.97Å; F115-W209 HydrophobicContact CD2-CZ3 4.3Å; F115-W209 HydrophobicContact CE2-CZ3 4.35Å; L205-W209 PolarHBondContact O-N 2.62Å; L205-W209 VanDerWaalsContact O-N 3.07Å; L206-W209 WeakPolarHBondContact O-CB 3.34Å; L206-W209 PolarHBondContact O-N 3.02Å; W209-L220 HydrophobicContact CD2-CD2 4.41Å; W209-L220 HydrophobicContact CH2-CD2 3.88Å; W209-L220 HydrophobicContact CZ2-CD2 3.43Å; W209-L220 VanDerWaalsContact CZ2-CD2 3.43Å; W209-V221 HydrophobicContact CH2-CG2 3.93Å; W209-V221 HydrophobicContact CZ3-CG2 4.03Å; W209-L225 HydrophobicContact CD2-CD1 4.37Å; W209-L225 HydrophobicContact CE3-CD1 3.62Å; W209-L225 HydrophobicContact CZ3-CD1 3.87Å
210P90.1Very high93.5Very high36 Ų3633.1 Ų33.123%0.23419%0.19CC..  trans-66.8143.1-175.127.6-35.8000111.2N212 L220P210-N212 PolarHBondContact O-N 2.98Å; P210-L220 HydrophobicContact CG-CD1 3.78Å
211P82.8Confident93.5Very high74 Ų7430.1 Ų30.148%0.48117%0.174SC..SBendtrans-70.5-27.217329.3-34.8000112
212N81.2Confident93.6Very high103 Ų10330.1 Ų30.155%0.55117%0.174SC*.SBendtrans-86.6153.5-178.9-67.2-24.4000111.6P210 F214P210-N212 PolarHBondContact O-N 2.98Å; N212-F214 PolarHBondContact O-N 3.44Å
213Y80.8Confident93.6Very high11 Ų1130.1 Ų30.14%0.04317%0.174CC..  trans-63.3130.7-178.5172.7-88.6000114A14 T15 F19 Y105 H215A14-Y213 HydrophobicContact CB-CE2 4.35Å; A14-Y213 VanDerWaalsContact CB-OH 3.31Å; A14-Y213 WeakPolarHBondContact CB-OH 3.34Å; T15-Y213 HydrophobicContact CG2-CD1 3.37Å; T15-Y213 HydrophobicContact CG2-CE1 3.59Å; T15-Y213 HydrophobicContact CG2-CG 3.97Å; F19-Y213 AromaticContact CE2-CD2 3.65Å; F19-Y213 HydrophobicContact CE2-CD2 3.65Å; F19-Y213 HydrophobicContact CE2-CG 4.13Å; F19-Y213 HydrophobicContact CZ-CD2 4.33Å; Y105-Y213 VanDerWaalsContact CB-OH 3.28Å; Y105-Y213 WeakPolarHBondContact CB-OH 3.22Å; Y105-Y213 WeakPolarHBondContact O-CE2 3.36Å; Y105-Y213 PolarHBondContact O-OH 3.03Å; Y105-Y213 VanDerWaalsContact O-OH 3.06Å; Y213-H215 HydrophobicContact CE1-CB 3.8Å; Y213-H215 HydrophobicContact CE2-CB 4.25Å; Y213-H215 VanDerWaalsContact CZ-CB 3.49Å; Y213-H215 WeakPolarHBondContact OH-CB 3.32Å
214F89Confident93.5Very high8 Ų824.7 Ų24.74%0.03515%0.152CC..  trans-144.2129.1167.6-160.6-86.6000109.5T108 Y186 N212 L216 I219 L220 L224T108-F214 WeakPolarHBondContact CB-O 3.15Å; T108-F214 VanDerWaalsContact CG2-O 3.26Å; T108-F214 WeakPolarHBondContact CG2-O 3Å; T108-F214 PolarHBondContact OG1-O 2.98Å; Y186-F214 HydrophobicContact CE1-CZ 4.07Å; N212-F214 PolarHBondContact O-N 3.44Å; F214-L216 HydrophobicContact CD1-CB 4.47Å; F214-L216 WeakPolarHBondContact CD1-O 3.33Å; F214-L216 HydrophobicContact CE1-CB 3.84Å; F214-L216 VanDerWaalsContact CE1-O 3.3Å; F214-L216 WeakPolarHBondContact CE1-O 3.49Å; F214-I219 HydrophobicContact CE1-CB 3.98Å; F214-I219 HydrophobicContact CE1-CG2 3.86Å; F214-I219 HydrophobicContact CZ-CB 4.27Å; F214-I219 HydrophobicContact CZ-CG2 3.69Å; F214-L220 HydrophobicContact CB-CD2 4.43Å; F214-L220 HydrophobicContact CD1-CB 3.75Å; F214-L220 HydrophobicContact CD1-CD1 4.43Å; F214-L220 HydrophobicContact CD1-CG 4.46Å; F214-L220 HydrophobicContact CE1-CB 4.12Å; F214-L224 HydrophobicContact CD1-CD1 4.35Å; F214-L224 HydrophobicContact CD2-CD1 4.02Å; F214-L224 HydrophobicContact CE1-CD1 3.92Å; F214-L224 HydrophobicContact CE2-CD1 3.59Å; F214-L224 HydrophobicContact CG-CD1 4.38Å; F214-L224 HydrophobicContact CZ-CD1 3.53Å
215H88.4Confident93.5Very high0 Ų023.3 Ų23.30%014%0.142CC..  trans-103.7-22.6-164.768.5-77.5000114.9Y105 I107 C175 T176 Y213 D217Y105-H215 AromaticContact CD1-CD2 3.92Å; Y105-H215 WeakPolarHBondContact O-CB 3.44Å; I107-H215 WeakPolarHBondContact CG2-O 3.32Å; C175-H215 PolarHBondContact O-CE1 3.47Å; T176-H215 PolarHBondContact OG1-CE1 3.19Å; Y213-H215 HydrophobicContact CE1-CB 3.8Å; Y213-H215 HydrophobicContact CE2-CB 4.25Å; Y213-H215 VanDerWaalsContact CZ-CB 3.49Å; Y213-H215 WeakPolarHBondContact OH-CB 3.32Å; H215-D217 PolarHBondContact O-N 3.38Å
216L94.3Very high93.5Very high4 Ų424 Ų242%0.02115%0.146CC..  trans-87100.8-179.8-57.9174.5000108.4Y104 T174 F214 D218 I219 L220Y104-L216 HydrophobicContact CE1-CD2 4.42Å; Y104-L216 WeakPolarHBondContact OH-CD2 3.16Å; T174-L216 HydrophobicContact CG2-CD2 4.16Å; F214-L216 HydrophobicContact CD1-CB 4.47Å; F214-L216 WeakPolarHBondContact CD1-O 3.33Å; F214-L216 HydrophobicContact CE1-CB 3.84Å; F214-L216 VanDerWaalsContact CE1-O 3.3Å; F214-L216 WeakPolarHBondContact CE1-O 3.49Å; L216-D218 VanDerWaalsContact C-N 3.32Å; L216-D218 PolarHBondContact O-N 3.46Å; L216-I219 HydrophobicContact CB-CB 4.14Å; L216-I219 HydrophobicContact CB-CD1 4.09Å; L216-I219 HydrophobicContact CB-CG1 4.29Å; L216-I219 HydrophobicContact CD1-CD1 3.6Å; L216-I219 HydrophobicContact CG-CD1 4.47Å; L216-L220 WeakPolarHBondContact O-CB 3.46Å; L216-L220 PolarHBondContact O-N 3.34Å
217D95.3Very high93.6Very high8 Ų827 Ų274%0.04316%0.16CC..Hα-helixtrans-65.8-37.4-174.169.6-53.3000112.8I107 T108 I111 R130 Y195 H215 L220 V221I107-D217 HydrophobicContact CG2-CB 4.24Å; T108-D217 VanDerWaalsContact CG2-CA 3.44Å; T108-D217 HydrophobicContact CG2-CB 3.65Å; I111-D217 HydrophobicContact CG1-CB 3.66Å; R130-D217 IonicContact CZ-OD2 3.45Å; R130-D217 IonicContact NE-OD2 2.75Å; R130-D217 PolarHBondContact NE-OD2 3.44Å; R130-D217 IonicContact NH2-OD1 3.34Å; R130-D217 IonicContact NH2-OD2 3.52Å; R130-D217 PolarHBondContact NH2-OD2 2.98Å; Y195-D217 PolarHBondContact OH-OD2 3.14Å; H215-D217 PolarHBondContact O-N 3.38Å; D217-L220 PolarHBondContact O-N 3.06Å; D217-V221 WeakPolarHBondContact O-CB 3.31Å; D217-V221 VanDerWaalsContact O-CG2 3.25Å; D217-V221 WeakPolarHBondContact O-CG2 3.38Å; D217-V221 PolarHBondContact O-N 3.33Å
218D97.6Very high93.6Very high21 Ų2128.5 Ų28.511%0.11216%0.155CC..Hα-helixtrans-62.7-49.2179.567.1-23.2000111.6C190 G192 L216 T222C190-D218 WeakPolarHBondContact O-CB 3.43Å; G192-D218 VanDerWaalsContact N-CB 3.28Å; G192-D218 PolarHBondContact N-OD2 2.81Å; L216-D218 VanDerWaalsContact C-N 3.32Å; L216-D218 PolarHBondContact O-N 3.46Å; D218-T222 WeakPolarHBondContact O-CA 3.42Å; D218-T222 WeakPolarHBondContact O-CB 3.49Å; D218-T222 PolarHBondContact O-N 3.12Å; D218-T222 PolarHBondContact O-OG1 3.45Å
219I97.4Very high93.7Very high4 Ų428.5 Ų28.52%0.02115%0.152CC..Hα-helixtrans-65.2-41.1175.9-64.3177.5000111.4Y186 Y189 F214 L216 G223 L224Y186-I219 HydrophobicContact CD1-CD1 4.14Å; Y186-I219 HydrophobicContact CD1-CG2 3.47Å; Y186-I219 VanDerWaalsContact CD1-CG2 3.47Å; Y186-I219 HydrophobicContact CD2-CD1 3.64Å; Y186-I219 HydrophobicContact CE1-CD1 3.9Å; Y186-I219 HydrophobicContact CE1-CG2 3.73Å; Y186-I219 HydrophobicContact CE2-CD1 3.37Å; Y186-I219 HydrophobicContact CG-CD1 3.99Å; Y186-I219 HydrophobicContact CG-CG2 3.95Å; Y186-I219 VanDerWaalsContact CZ-CD1 3.47Å; Y189-I219 HydrophobicContact CD1-CG1 4.36Å; Y189-I219 HydrophobicContact CD2-CG1 3.64Å; Y189-I219 HydrophobicContact CE1-CG1 4.37Å; Y189-I219 HydrophobicContact CE2-CD1 4.37Å; Y189-I219 HydrophobicContact CE2-CG1 3.65Å; Y189-I219 HydrophobicContact CG-CG1 4.02Å; F214-I219 HydrophobicContact CE1-CB 3.98Å; F214-I219 HydrophobicContact CE1-CG2 3.86Å; F214-I219 HydrophobicContact CZ-CB 4.27Å; F214-I219 HydrophobicContact CZ-CG2 3.69Å; L216-I219 HydrophobicContact CB-CB 4.14Å; L216-I219 HydrophobicContact CB-CD1 4.09Å; L216-I219 HydrophobicContact CB-CG1 4.29Å; L216-I219 HydrophobicContact CD1-CD1 3.6Å; L216-I219 HydrophobicContact CG-CD1 4.47Å; I219-G223 CarbonylContact O-C 3.56Å; I219-G223 VanDerWaalsContact O-CA 3.22Å; I219-G223 WeakPolarHBondContact O-CA 3.44Å; I219-G223 PolarHBondContact O-N 3.38Å; I219-L224 HydrophobicContact CG2-CD1 4.28Å; I219-L224 HydrophobicContact CG2-CG 4.16Å; I219-L224 PolarHBondContact O-N 3.23Å
220L97.1Very high93.9Very high2 Ų230.3 Ų30.31%0.0118%0.179CC..Iπ-helixtrans-64.2-55.3178.7-179.659.4000111.6T108 W209 P210 F214 L216 D217 L224 L225T108-L220 HydrophobicContact CG2-CD2 3.92Å; W209-L220 HydrophobicContact CD2-CD2 4.41Å; W209-L220 HydrophobicContact CH2-CD2 3.88Å; W209-L220 HydrophobicContact CZ2-CD2 3.43Å; W209-L220 VanDerWaalsContact CZ2-CD2 3.43Å; P210-L220 HydrophobicContact CG-CD1 3.78Å; F214-L220 HydrophobicContact CB-CD2 4.43Å; F214-L220 HydrophobicContact CD1-CB 3.75Å; F214-L220 HydrophobicContact CD1-CD1 4.43Å; F214-L220 HydrophobicContact CD1-CG 4.46Å; F214-L220 HydrophobicContact CE1-CB 4.12Å; L216-L220 WeakPolarHBondContact O-CB 3.46Å; L216-L220 PolarHBondContact O-N 3.34Å; D217-L220 PolarHBondContact O-N 3.06Å; L220-L224 HydrophobicContact CD1-CB 4.4Å; L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 PolarHBondContact O-N 2.63Å; L220-L225 HydrophobicContact CD1-CD1 4.21Å; L220-L225 HydrophobicContact CD1-CD2 4.4Å; L220-L225 HydrophobicContact CD1-CG 3.94Å; L220-L225 HydrophobicContact CG-CD1 4.06Å; L220-L225 HydrophobicContact CG-CG 4.27Å; L220-L225 WeakPolarHBondContact O-CB 3.35Å; L220-L225 VanDerWaalsContact O-CG 3.31Å; L220-L225 WeakPolarHBondContact O-CG 3.48Å; L220-L225 PolarHBondContact O-N 3.28Å
221V98.4Very high94.2Very high0 Ų032.8 Ų32.80%019%0.194CC..Iπ-helixtrans-76.5-36.7-170.2172.10000112.4I111 F115 Y195 L197 L205 W209 D217 P226I111-V221 HydrophobicContact CG2-CG2 4Å; F115-V221 HydrophobicContact CE2-CG1 3.95Å; F115-V221 HydrophobicContact CE2-CG2 4.23Å; F115-V221 HydrophobicContact CZ-CG1 3.81Å; F115-V221 HydrophobicContact CZ-CG2 4.42Å; Y195-V221 HydrophobicContact CE2-CG1 4.02Å; L197-V221 HydrophobicContact CD1-CG1 3.94Å; L197-V221 HydrophobicContact CD2-CG1 4.26Å; L205-V221 HydrophobicContact CD1-CG1 4.48Å; W209-V221 HydrophobicContact CH2-CG2 3.93Å; W209-V221 HydrophobicContact CZ3-CG2 4.03Å; D217-V221 WeakPolarHBondContact O-CB 3.31Å; D217-V221 VanDerWaalsContact O-CG2 3.25Å; D217-V221 WeakPolarHBondContact O-CG2 3.38Å; D217-V221 PolarHBondContact O-N 3.33Å; V221-P226 WeakPolarHBondContact O-CD 3.39Å; V221-P226 VanDerWaalsContact O-CG 3.23Å; V221-P226 WeakPolarHBondContact O-CG 3.5Å
222T98.6Very high94.9Very high0 Ų030.5 Ų30.50%018%0.179CC..Iπ-helixtrans-105.1-8.9-174.476.20000113.7I156 C190 Y195 D218I156-T222 HydrophobicContact CG2-CG2 3.91Å; C190-T222 HydrophobicContact CB-CG2 4.41Å; C190-T222 PolarHBondContact N-OG1 3.49Å; C190-T222 PolarHBondContact O-OG1 3.48Å; Y195-T222 HydrophobicContact CD1-CG2 3.99Å; Y195-T222 HydrophobicContact CD2-CG2 4.12Å; Y195-T222 HydrophobicContact CE1-CG2 4.39Å; Y195-T222 HydrophobicContact CG-CG2 3.84Å; D218-T222 WeakPolarHBondContact O-CA 3.42Å; D218-T222 WeakPolarHBondContact O-CB 3.49Å; D218-T222 PolarHBondContact O-N 3.12Å; D218-T222 PolarHBondContact O-OG1 3.45Å
223G98.3Very high95.6Very high1 Ų132 Ų321%0.0118%0.18CC..Iπ-helixtrans-119.6-74.2179.200000113.7P188 I219 P226 E227P188-G223 WeakPolarHBondContact O-CA 3.39Å; I219-G223 CarbonylContact O-C 3.56Å; I219-G223 VanDerWaalsContact O-CA 3.22Å; I219-G223 WeakPolarHBondContact O-CA 3.44Å; I219-G223 PolarHBondContact O-N 3.38Å; G223-P226 WeakPolarHBondContact O-CD 3.15Å; G223-E227 VanDerWaalsContact O-CB 3.32Å; G223-E227 WeakPolarHBondContact O-CB 3.45Å; G223-E227 PolarHBondContact O-N 2.81Å
224L97.3Very high96.4Very high29 Ų2934 Ų3415%0.15219%0.192CC..Iπ-helixtrans-63.3-48.5-170.5-63175.7000113.1Y181 P187 F214 I219 L220 E227 L228Y181-L224 HydrophobicContact CD2-CD2 4.15Å; Y181-L224 HydrophobicContact CE2-CD2 3.49Å; Y181-L224 VanDerWaalsContact CE2-CD2 3.49Å; P187-L224 HydrophobicContact CG-CD2 3.86Å; P187-L224 HydrophobicContact CG-CG 4.48Å; F214-L224 HydrophobicContact CD1-CD1 4.35Å; F214-L224 HydrophobicContact CD2-CD1 4.02Å; F214-L224 HydrophobicContact CE1-CD1 3.92Å; F214-L224 HydrophobicContact CE2-CD1 3.59Å; F214-L224 HydrophobicContact CG-CD1 4.38Å; F214-L224 HydrophobicContact CZ-CD1 3.53Å; I219-L224 HydrophobicContact CG2-CD1 4.28Å; I219-L224 HydrophobicContact CG2-CG 4.16Å; I219-L224 PolarHBondContact O-N 3.23Å; L220-L224 HydrophobicContact CD1-CB 4.4Å; L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 PolarHBondContact O-N 2.63Å; L224-E227 PolarHBondContact O-N 2.91Å; L224-L228 WeakPolarHBondContact O-CB 3.44Å; L224-L228 PolarHBondContact O-N 2.95Å
225L97.9Very high96.7Very high4 Ų434.9 Ų34.92%0.02120%0.197CC..Hα-helixtrans-66.7-44178.7-64.6173.4000111.7L205 S208 W209 L220 E227 L228 L229L205-L225 HydrophobicContact CB-CD1 4.33Å; L205-L225 HydrophobicContact CD2-CB 3.41Å; L205-L225 VanDerWaalsContact CD2-CB 3.41Å; L205-L225 HydrophobicContact CD2-CD1 4.09Å; L205-L225 HydrophobicContact CD2-CG 4.38Å; S208-L225 WeakPolarHBondContact O-CD2 3.39Å; W209-L225 HydrophobicContact CD2-CD1 4.37Å; W209-L225 HydrophobicContact CE3-CD1 3.62Å; W209-L225 HydrophobicContact CZ3-CD1 3.87Å; L220-L225 HydrophobicContact CD1-CD1 4.21Å; L220-L225 HydrophobicContact CD1-CD2 4.4Å; L220-L225 HydrophobicContact CD1-CG 3.94Å; L220-L225 HydrophobicContact CG-CD1 4.06Å; L220-L225 HydrophobicContact CG-CG 4.27Å; L220-L225 WeakPolarHBondContact O-CB 3.35Å; L220-L225 VanDerWaalsContact O-CG 3.31Å; L220-L225 WeakPolarHBondContact O-CG 3.48Å; L220-L225 PolarHBondContact O-N 3.28Å; L225-E227 PolarHBondContact O-N 3.49Å; L225-L228 PolarHBondContact O-N 3Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.23Å; L225-L229 PolarHBondContact O-N 2.87Å
226P98.1Very high97.1Very high14 Ų1438.8 Ų38.89%0.09122%0.218CC..Hα-helixtrans-57.8-42.2170.1-33.741.6000115I156 V221 G223 L228 L229 G230 V232I156-P226 HydrophobicContact CD1-CB 4.44Å; I156-P226 HydrophobicContact CD1-CG 3.47Å; I156-P226 VanDerWaalsContact CD1-CG 3.47Å; V221-P226 WeakPolarHBondContact O-CD 3.39Å; V221-P226 VanDerWaalsContact O-CG 3.23Å; V221-P226 WeakPolarHBondContact O-CG 3.5Å; G223-P226 WeakPolarHBondContact O-CD 3.15Å; P226-L228 VanDerWaalsContact C-N 3.33Å; P226-L229 PolarHBondContact O-N 3.05Å; P226-G230 PolarHBondContact O-N 2.58Å; P226-V232 HydrophobicContact CB-CB 3.84Å; P226-V232 HydrophobicContact CB-CG1 3.94Å; P226-V232 HydrophobicContact CB-CG2 4.16Å; P226-V232 HydrophobicContact CG-CG1 4.23Å
227E97.2Very high97.2Very high98 Ų9840.4 Ų40.446%0.45823%0.226SC..Hα-helixtrans-58.6-47.4175-176.6-174.6-154.500110K183 P187 G223 L224 L225 L229 G230K183-E227 IonicContact NZ-OE1 3.23Å; K183-E227 PolarHBondContact NZ-OE1 3.5Å; K183-E227 IonicContact NZ-OE2 3.33Å; P187-E227 HydrophobicContact CB-CB 4.11Å; P187-E227 HydrophobicContact CB-CG 4.26Å; P187-E227 HydrophobicContact CG-CB 4.34Å; G223-E227 VanDerWaalsContact O-CB 3.32Å; G223-E227 WeakPolarHBondContact O-CB 3.45Å; G223-E227 PolarHBondContact O-N 2.81Å; L224-E227 PolarHBondContact O-N 2.91Å; L225-E227 PolarHBondContact O-N 3.49Å; E227-L229 PolarHBondContact O-N 3.4Å; E227-G230 PolarHBondContact O-N 2.85Å
228L97.1Very high97.3Very high119 Ų11942.2 Ų42.262%0.62324%0.238SC*.Hα-helixtrans-62.5-40.2177.9179.659.2000112.6L224 L225 P226 G230L224-L228 WeakPolarHBondContact O-CB 3.44Å; L224-L228 PolarHBondContact O-N 2.95Å; L225-L228 PolarHBondContact O-N 3Å; P226-L228 VanDerWaalsContact C-N 3.33Å; L228-G230 VanDerWaalsContact C-N 3.3Å; L228-G230 PolarHBondContact O-N 2.81Å
229L97.9Very high97.2Very high35 Ų3546.3 Ų46.318%0.18327%0.265CS..Hα-helixtrans-72.6-21.4178.2-69.9176.9000113.3P204 L205 L225 P226 E227 T231 V232P204-L229 HydrophobicContact CB-CD1 3.76Å; P204-L229 HydrophobicContact CB-CD2 3.83Å; P204-L229 HydrophobicContact CB-CG 4.48Å; L205-L229 HydrophobicContact CD2-CD1 3.85Å; L205-L229 HydrophobicContact CG-CD1 4.35Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.23Å; L225-L229 PolarHBondContact O-N 2.87Å; P226-L229 PolarHBondContact O-N 3.05Å; E227-L229 PolarHBondContact O-N 3.4Å; L229-T231 PolarHBondContact O-N 2.99Å; L229-T231 PolarHBondContact O-OG1 2.82Å; L229-V232 HydrophobicContact CB-CG2 3.9Å; L229-V232 HydrophobicContact CD1-CG2 3.92Å
230G97.2Very high97.2Very high66 Ų6647.5 Ų47.568%0.6827%0.272SS*.SBendtrans62.8-3.6173.800000116.9P226 E227 L228P226-G230 PolarHBondContact O-N 2.58Å; E227-G230 PolarHBondContact O-N 2.85Å; L228-G230 VanDerWaalsContact C-N 3.3Å; L228-G230 PolarHBondContact O-N 2.81Å
231T95.7Very high97.2Very high88 Ų8847.4 Ų47.454%0.5427%0.271SS..  trans-130.313.5-16848.20000112R154 L229R154-T231 PolarHBondContact NE-O 3.46Å; R154-T231 PolarHBondContact NE-OG1 3.48Å; R154-T231 PolarHBondContact NH2-OG1 2.84Å; L229-T231 PolarHBondContact O-N 2.99Å; L229-T231 PolarHBondContact O-OG1 2.82Å
232V97.5Very high97Very high26 Ų2649.4 Ų49.416%0.15828%0.282CS..  trans-95.7128.4-179.6-178.80000109.2I156 L201 P226 L229I156-V232 HydrophobicContact CD1-CG1 3.81Å; I156-V232 HydrophobicContact CG1-CG1 3.7Å; L201-V232 HydrophobicContact CD1-CG1 4Å; L201-V232 HydrophobicContact CD2-CG1 4.29Å; L201-V232 HydrophobicContact CD2-CG2 3.68Å; P226-V232 HydrophobicContact CB-CB 3.84Å; P226-V232 HydrophobicContact CB-CG1 3.94Å; P226-V232 HydrophobicContact CB-CG2 4.16Å; P226-V232 HydrophobicContact CG-CG1 4.23Å; L229-V232 HydrophobicContact CB-CG2 3.9Å; L229-V232 HydrophobicContact CD1-CG2 3.92Å
233K96.4Very high96.7Very high134 Ų13451.7 Ų51.758%0.58330%0.298SS*.EExtended strand (participates in β ladder)trans-85.6112.8174.9-175.7-177.5-179.9178.60109.9R154 T155 I156 V235R154-K233 PolarHBondContact O-N 3.38Å; T155-K233 CarbonylContact C-O 3.58Å; T155-K233 WeakPolarHBondContact CA-O 3.45Å; I156-K233 PolarHBondContact N-O 2.94Å; K233-V235 HydrophobicContact CD-CG2 4.11Å; K233-V235 HydrophobicContact CG-CG2 3.95Å
234L97Very high96.5Very high54 Ų5459.1 Ų59.128%0.28333%0.333SS..EExtended strand (participates in β ladder)trans-89.8124.9171.4-161.668.6000110.2I156 C160 P188 C190I156-L234 HydrophobicContact CB-CD1 3.79Å; I156-L234 HydrophobicContact CG2-CD1 3.75Å; C160-L234 HydrophobicContact CB-CD2 4.19Å; C160-L234 HydrophobicContact CB-CG 4.37Å; P188-L234 HydrophobicContact CB-CD2 3.64Å; C190-L234 WeakPolarHBondContact SG-CD1 3.31Å
235V96.5Very high96.5Very high26 Ų2661.5 Ų61.516%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-119.7117.7-177.5-175.50000109.7T155 I156 V157 G158 C160 K233 E237T155-V235 HydrophobicContact CG2-CG2 3.71Å; I156-V235 PolarHBondContact O-N 2.99Å; V157-V235 WeakPolarHBondContact CA-O 3.29Å; V157-V235 HydrophobicContact CG2-CB 4.02Å; G158-V235 PolarHBondContact N-O 3.41Å; C160-V235 PolarHBondContact SG-O 3.1Å; C160-V235 VanDerWaalsContact SG-O 3.41Å; K233-V235 HydrophobicContact CD-CG2 4.11Å; K233-V235 HydrophobicContact CG-CG2 3.95Å; V235-E237 HydrophobicContact CG1-CG 4.02Å
236N97.2Very high96.5Very high81 Ų8162.1 Ų62.143%0.43335%0.347SS..EExtended strand (participates in β ladder)trans-90.1120.5178.2-173.726.3000110.6C160 P238C160-N236 HydrophobicContact CB-CB 4.06Å; C160-N236 PolarHBondContact N-OD1 3.49Å; C160-N236 PolarHBondContact O-ND2 2.99Å; C160-N236 PolarHBondContact O-OD1 3.36Å; N236-P238 VanDerWaalsContact OD1-CD 3.31Å; N236-P238 WeakPolarHBondContact OD1-CD 3.16Å; N236-P238 WeakPolarHBondContact OD1-CG 3.32Å
237E96.6Very high96.4Very high38 Ų3861.5 Ų61.518%0.17834%0.343CS..  trans-12960.5179.3-63.3-76.4-173.600111.9Y145 K149 V157 G158 V235 P239 L240 F241Y145-E237 HydrophobicContact CE2-CG 3.9Å; Y145-E237 WeakPolarHBondContact CE2-OE1 3.38Å; Y145-E237 PolarHBondContact OH-OE1 3.48Å; K149-E237 IonicContact NZ-OE1 2.75Å; V157-E237 HydrophobicContact CG1-CB 4.18Å; V157-E237 HydrophobicContact CG1-CG 3.67Å; G158-E237 PolarHBondContact O-N 3.18Å; V235-E237 HydrophobicContact CG1-CG 4.02Å; E237-P239 VanDerWaalsContact C-CD 3.41Å; E237-P239 VanDerWaalsContact O-N 3.14Å; E237-L240 HydrophobicContact CB-CB 4.27Å; E237-L240 HydrophobicContact CB-CD1 4.21Å; E237-L240 HydrophobicContact CB-CG 4.49Å; E237-L240 PolarHBondContact O-N 3.41Å; E237-F241 HydrophobicContact CB-CD2 4Å; E237-F241 HydrophobicContact CB-CE2 3.98Å; E237-F241 WeakPolarHBondContact O-CD2 3.04Å
238P95.9Very high96.4Very high46 Ų4657.7 Ų57.730%0.29933%0.326SS..G310 helixtrans-53.1-38-172.2-23.132.7000115.9Y159 N236 L240 F241Y159-P238 HydrophobicContact CD1-CB 4.03Å; Y159-P238 HydrophobicContact CE1-CB 4Å; Y159-P238 HydrophobicContact CG-CB 4.45Å; N236-P238 VanDerWaalsContact OD1-CD 3.31Å; N236-P238 WeakPolarHBondContact OD1-CD 3.16Å; N236-P238 WeakPolarHBondContact OD1-CG 3.32Å; P238-L240 PolarHBondContact O-N 2.92Å; P238-L240 VanDerWaalsContact O-N 3.17Å; P238-F241 PolarHBondContact O-N 3.12Å; P238-F241 VanDerWaalsContact O-O 3.08Å
239P95.7Very high96.4Very high107 Ų10755.7 Ų55.770%0.69532%0.319SS*.G310 helixtrans-64.6-18.6177.8-23.835.3000114.6E237E237-P239 VanDerWaalsContact C-CD 3.41Å; E237-P239 VanDerWaalsContact O-N 3.14Å
240L97.1Very high96.3Very high30 Ų3055 Ų5516%0.15731%0.314CS..G310 helixtrans-99.4-6.9-177.3-61.8-179.6000113Y145 E237 P238 P256 I257 S258Y145-L240 HydrophobicContact CD2-CD1 3.47Å; Y145-L240 VanDerWaalsContact CD2-CD1 3.47Å; Y145-L240 HydrophobicContact CE2-CD1 3.89Å; Y145-L240 HydrophobicContact CG-CD1 4.43Å; E237-L240 HydrophobicContact CB-CB 4.27Å; E237-L240 HydrophobicContact CB-CD1 4.21Å; E237-L240 HydrophobicContact CB-CG 4.49Å; E237-L240 PolarHBondContact O-N 3.41Å; P238-L240 PolarHBondContact O-N 2.92Å; P238-L240 VanDerWaalsContact O-N 3.17Å; L240-P256 WeakPolarHBondContact O-CB 3.06Å; L240-I257 HydrophobicContact CB-CD1 4.15Å; L240-I257 HydrophobicContact CB-CG1 4.15Å; L240-I257 HydrophobicContact CD1-CD1 4.09Å; L240-I257 WeakPolarHBondContact O-CA 3.38Å; L240-I257 WeakPolarHBondContact O-CB 3.49Å; L240-I257 PolarHBondContact O-N 3.38Å; L240-S258 PolarHBondContact O-N 3.09Å; L240-S258 VanDerWaalsContact O-N 3.16Å
241F98.2Very high96.2Very high0 Ų054.9 Ų54.90%030%0.301CS..EExtended strand (participates in β ladder)trans-134.9108-173.8-69.9-94.3000109.3V157 Y159 F193 T194 L196 E237 P238 I257 S258V157-F241 HydrophobicContact CG1-CE2 3.72Å; V157-F241 HydrophobicContact CG1-CZ 3.93Å; Y159-F241 WeakPolarHBondContact CD1-O 3.28Å; F193-F241 HydrophobicContact CE2-CB 3.75Å; F193-F241 HydrophobicContact CE2-CD1 4.48Å; F193-F241 HydrophobicContact CZ-CB 3.97Å; T194-F241 HydrophobicContact CG2-CD1 4.15Å; T194-F241 HydrophobicContact CG2-CE1 3.87Å; L196-F241 HydrophobicContact CD1-CZ 3.93Å; L196-F241 HydrophobicContact CD2-CE1 4.42Å; L196-F241 HydrophobicContact CD2-CZ 4.41Å; L196-F241 HydrophobicContact CG-CE1 4.22Å; L196-F241 HydrophobicContact CG-CZ 3.86Å; E237-F241 HydrophobicContact CB-CD2 4Å; E237-F241 HydrophobicContact CB-CE2 3.98Å; E237-F241 WeakPolarHBondContact O-CD2 3.04Å; P238-F241 PolarHBondContact O-N 3.12Å; P238-F241 VanDerWaalsContact O-O 3.08Å; F241-I257 HydrophobicContact CE1-CG2 4.39Å; F241-I257 HydrophobicContact CE2-CD1 4.05Å; F241-I257 HydrophobicContact CZ-CB 4.42Å; F241-I257 HydrophobicContact CZ-CD1 4.03Å; F241-I257 HydrophobicContact CZ-CG2 4.36Å; F241-S258 WeakPolarHBondContact CA-OG 3.43Å; F241-S258 VanDerWaalsContact CD1-OG 3.23Å; F241-S258 WeakPolarHBondContact CD1-OG 3.45Å
242N94.4Very high96.1Very high41 Ų4151.8 Ų51.822%0.21928%0.283CS..EExtended strand (participates in β ladder)trans-136.3139.8-178.4-162.1-49.3000110.7E244 Q245 Y250 S258 A259 R260N242-E244 PolarHBondContact OD1-N 3.45Å; N242-Q245 PolarHBondContact OD1-N 2.98Å; N242-Y250 WeakPolarHBondContact CB-OH 3.19Å; N242-Y250 VanDerWaalsContact CG-OH 3.23Å; N242-Y250 PolarHBondContact ND2-OH 3.45Å; N242-Y250 VanDerWaalsContact ND2-OH 3.12Å; N242-S258 PolarHBondContact N-O 2.91Å; N242-S258 CarbonylContact O-C 3.44Å; N242-A259 CarbonylContact O-C 3.48Å; N242-A259 WeakPolarHBondContact O-CA 3.48Å; N242-R260 PolarHBondContact O-N 3.45Å
243S92.1Very high95.9Very high49 Ų4956.5 Ų56.534%0.34330%0.303SS..EExtended strand (participates in β ladder)trans-122.11.4176.249.50000113.5F193 R260F193-S243 VanDerWaalsContact CD1-OG 3.22Å; F193-S243 WeakPolarHBondContact CD1-OG 2.97Å; F193-S243 WeakPolarHBondContact CE1-OG 3.19Å; S243-R260 WeakPolarHBondContact O-CB 3.45Å; S243-R260 WeakPolarHBondContact O-CD 3.05Å; S243-R260 WeakPolarHBondContact O-CG 3.38Å
244E94.2Very high95.7Very high157 Ų15757.2 Ų57.273%0.73431%0.309SS*.EExtended strand (participates in β ladder)trans-101.7-44.9-179.6-63.6-178.1178.600111.3N242 R260N242-E244 PolarHBondContact OD1-N 3.45Å; E244-R260 VanDerWaalsContact O-CD 3.24Å; E244-R260 WeakPolarHBondContact O-CD 3.5Å
245Q96.2Very high95.7Very high79 Ų7955.6 Ų55.637%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-87.4128.1-178.6-176.41748.300111.1N242 T249 Y250 R260N242-Q245 PolarHBondContact OD1-N 2.98Å; Q245-T249 WeakPolarHBondContact CG-OG1 3.34Å; Q245-T249 PolarHBondContact NE2-OG1 3.27Å; Q245-Y250 HydrophobicContact CB-CE2 4Å; Q245-Y250 VanDerWaalsContact CD-CZ 3.42Å; Q245-Y250 HydrophobicContact CG-CD2 4.25Å; Q245-Y250 HydrophobicContact CG-CE2 3.58Å; Q245-Y250 PolarHBondContact OE1-OH 3.46Å; Q245-Y250 VanDerWaalsContact OE1-OH 3.13Å; Q245-R260 WeakPolarHBondContact O-CB 3.33Å; Q245-R260 PolarHBondContact O-N 3.45Å
246S97.6Very high95.8Very high16 Ų1654.4 Ų54.411%0.11229%0.293CS..EExtended strand (participates in β ladder)trans-68.6141.5179.3-59.30000112.3D248 T249 Y250 R260 Y262S246-D248 WeakPolarHBondContact CB-OD1 3.3Å; S246-D248 PolarHBondContact O-N 2.89Å; S246-D248 VanDerWaalsContact O-N 3.13Å; S246-T249 PolarHBondContact O-N 3.5Å; S246-T249 VanDerWaalsContact O-N 3.08Å; S246-T249 PolarHBondContact O-OG1 3.17Å; S246-Y250 WeakPolarHBondContact O-CD2 3.44Å; S246-R260 WeakPolarHBondContact CA-O 3.43Å; S246-Y262 WeakPolarHBondContact CB-OH 3.19Å; S246-Y262 PolarHBondContact OG-OH 3.29Å
247F97.2Very high95.8Very high1 Ų150.7 Ų50.70%0.00427%0.273CS..G310 helixtrans-53.7-34.9-176.666.7-96.7000113.7A136 I138 T249 A259 R260 Y262 L268 R271 W272 H275A136-F247 HydrophobicContact CB-CB 4.12Å; A136-F247 HydrophobicContact CB-CD1 3.61Å; A136-F247 HydrophobicContact CB-CE1 4.34Å; A136-F247 HydrophobicContact CB-CG 4.02Å; I138-F247 HydrophobicContact CD1-CB 4.43Å; F247-T249 VanDerWaalsContact C-N 3.29Å; F247-T249 PolarHBondContact O-N 3.35Å; F247-A259 HydrophobicContact CB-CB 3.69Å; F247-R260 WeakPolarHBondContact CD1-O 3.46Å; F247-R260 PolarHBondContact N-O 3.22Å; F247-Y262 AromaticContact CE1-CD2 3.86Å; F247-Y262 HydrophobicContact CE1-CD2 3.86Å; F247-Y262 AromaticContact CE1-CE2 3.94Å; F247-Y262 HydrophobicContact CE1-CE2 3.94Å; F247-Y262 HydrophobicContact CZ-CD2 4.31Å; F247-Y262 HydrophobicContact CZ-CE2 4.22Å; F247-L268 HydrophobicContact CE1-CD1 3.74Å; F247-L268 HydrophobicContact CZ-CD1 4.12Å; F247-R271 HydrophobicContact CE2-CB 4.44Å; F247-R271 HydrophobicContact CZ-CB 3.91Å; F247-W272 HydrophobicContact CD1-CE3 4.45Å; F247-W272 AromaticContact CD2-CE3 3.69Å; F247-W272 HydrophobicContact CD2-CE3 3.69Å; F247-W272 AromaticContact CD2-CZ3 3.81Å; F247-W272 HydrophobicContact CD2-CZ3 3.81Å; F247-W272 HydrophobicContact CE1-CE3 4.23Å; F247-W272 HydrophobicContact CE2-CB 4.4Å; F247-W272 HydrophobicContact CE2-CD2 4.38Å; F247-W272 AromaticContact CE2-CE3 3.46Å; F247-W272 HydrophobicContact CE2-CE3 3.46Å; F247-W272 VanDerWaalsContact CE2-CE3 3.46Å; F247-W272 HydrophobicContact CE2-CZ3 4.09Å; F247-W272 HydrophobicContact CG-CE3 4.22Å; F247-W272 HydrophobicContact CG-CZ3 4.12Å; F247-W272 HydrophobicContact CZ-CB 4.22Å; F247-W272 AromaticContact CZ-CE3 3.76Å; F247-W272 HydrophobicContact CZ-CE3 3.76Å; F247-H275 HydrophobicContact CD2-CB 4.16Å; F247-H275 AromaticContact CD2-CG 3.94Å; F247-H275 HydrophobicContact CE2-CB 3.86Å
248D96.6Very high95.9Very high19 Ų1948.9 Ų48.910%0.10227%0.265CS..G310 helixtrans-76.8-14.2-175.364.3-37.4000113.3S246 Y262 R271 H275 R278S246-D248 WeakPolarHBondContact CB-OD1 3.3Å; S246-D248 PolarHBondContact O-N 2.89Å; S246-D248 VanDerWaalsContact O-N 3.13Å; D248-Y262 PolarHBondContact OD1-OH 2.93Å; D248-Y262 PolarHBondContact OD2-OH 3Å; D248-R271 HydrophobicContact CB-CB 4.48Å; D248-R271 WeakPolarHBondContact OD2-CD 3.48Å; D248-R271 IonicContact OD2-CZ 2.85Å; D248-R271 IonicContact OD2-NH1 3.61Å; D248-R271 PolarHBondContact OD2-NH1 2.91Å; D248-H275 HydrophobicContact CB-CB 4.12Å; D248-R278 PolarHBondContact O-NH2 2.79Å
249T96.5Very high96Very high77 Ų7746.7 Ų46.747%0.47225%0.25SS..G310 helixtrans-84.6-12.5178.468.60000113.6Q245 S246 F247Q245-T249 WeakPolarHBondContact CG-OG1 3.34Å; Q245-T249 PolarHBondContact NE2-OG1 3.27Å; S246-T249 PolarHBondContact O-N 3.5Å; S246-T249 VanDerWaalsContact O-N 3.08Å; S246-T249 PolarHBondContact O-OG1 3.17Å; F247-T249 VanDerWaalsContact C-N 3.29Å; F247-T249 PolarHBondContact O-N 3.35Å
250Y96.5Very high96.1Very high21 Ų2147.7 Ų47.78%0.08224%0.24CC..SBendtrans-76.4144.2-179.6-74.6-89.1000112.4N242 Q245 S246 P256 A259 R278N242-Y250 WeakPolarHBondContact CB-OH 3.19Å; N242-Y250 VanDerWaalsContact CG-OH 3.23Å; N242-Y250 PolarHBondContact ND2-OH 3.45Å; N242-Y250 VanDerWaalsContact ND2-OH 3.12Å; Q245-Y250 HydrophobicContact CB-CE2 4Å; Q245-Y250 VanDerWaalsContact CD-CZ 3.42Å; Q245-Y250 HydrophobicContact CG-CD2 4.25Å; Q245-Y250 HydrophobicContact CG-CE2 3.58Å; Q245-Y250 PolarHBondContact OE1-OH 3.46Å; Q245-Y250 VanDerWaalsContact OE1-OH 3.13Å; S246-Y250 WeakPolarHBondContact O-CD2 3.44Å; Y250-P256 HydrophobicContact CD1-CG 4.32Å; Y250-P256 HydrophobicContact CD2-CG 4.06Å; Y250-P256 HydrophobicContact CE1-CG 4.05Å; Y250-P256 HydrophobicContact CE2-CG 3.74Å; Y250-P256 HydrophobicContact CG-CG 4.33Å; Y250-A259 HydrophobicContact CD2-CB 4.41Å; Y250-A259 HydrophobicContact CE2-CB 3.88Å; Y250-R278 PolarHBondContact O-NH1 3.21Å; Y250-R278 VanDerWaalsContact O-NH1 3.12Å; Y250-R278 PolarHBondContact O-NH2 3.45Å
251P95.1Very high96.1Very high63 Ų6346.5 Ų46.541%0.40923%0.234SC..  trans-57.7143.3162.1-20.432.5000110.9E253 Q254 L255P251-E253 PolarHBondContact O-N 2.83Å; P251-Q254 CarbonylContact O-C 3.59Å; P251-Q254 PolarHBondContact O-N 3.48Å; P251-Q254 VanDerWaalsContact O-N 3.14Å; P251-L255 WeakPolarHBondContact O-CD2 3.4Å
252C94.7Very high96.1Very high23 Ų2348.5 Ų48.516%0.15524%0.242CC..THydrogen-bonded Turntrans-68-20.9-173.9-650000113.2R278 C279 H282C252-R278 PolarHBondContact SG-NH1 2.95Å; C252-C279 HydrophobicContact CB-CB 3.74Å; C252-C279 WeakPolarHBondContact CB-SG 3.35Å; C252-C279 WeakPolarHBondContact SG-CA 3.46Å; C252-C279 WeakPolarHBondContact SG-CB 3.48Å; C252-C279 CovalentContact SG-SG 2.05Å; C252-C279 PolarHBondContact SG-SG 3.45Å; C252-H282 HydrophobicContact CB-CB 4.47Å
253E92.2Very high95.9Very high124 Ų12451.7 Ų51.758%0.57927%0.268SS*.THydrogen-bonded Turntrans-85.6-14.2180-50.893.9130.800112.3P251 H282P251-E253 PolarHBondContact O-N 2.83Å; E253-H282 VanDerWaalsContact CD-CE1 3.45Å; E253-H282 IonicContact OE1-CD2 3.46Å; E253-H282 IonicContact OE1-CE1 3.5Å; E253-H282 PolarHBondContact OE1-CE1 3.22Å; E253-H282 IonicContact OE1-ND1 2.68Å; E253-H282 IonicContact OE1-NE2 2.72Å; E253-H282 PolarHBondContact OE1-NE2 2.05Å; E253-H282 IonicContact OE2-NE2 3.42Å
254Q93.1Very high96.1Very high149 Ų14953 Ų5370%0.69627%0.271SS*.SBendtrans-132.441.1-173.6-62.1-175.15.700112P251P251-Q254 CarbonylContact O-C 3.59Å; P251-Q254 PolarHBondContact O-N 3.48Å; P251-Q254 VanDerWaalsContact O-N 3.14Å
255L96.5Very high96.2Very high21 Ų2146.2 Ų46.211%0.1124%0.24CC..  trans-71.2134.1178.7-60.8175.1000111.2I138 S141 P251I138-L255 HydrophobicContact CG2-CB 4.03Å; I138-L255 HydrophobicContact CG2-CD1 3.92Å; S141-L255 WeakPolarHBondContact CB-O 3.38Å; S141-L255 WeakPolarHBondContact OG-CB 3.38Å; S141-L255 PolarHBondContact OG-O 3.22Å; P251-L255 WeakPolarHBondContact O-CD2 3.4Å
256P97.8Very high96.2Very high1 Ų148.1 Ų48.11%0.00625%0.249CC..  trans-71.8171.7172.333.8-37.2000110.7I138 S141 L240 Y250 S258 A259I138-P256 VanDerWaalsContact CB-O 3.26Å; I138-P256 WeakPolarHBondContact CB-O 3.36Å; I138-P256 VanDerWaalsContact CG1-O 3.29Å; I138-P256 WeakPolarHBondContact CG1-O 3.13Å; S141-P256 VanDerWaalsContact CB-O 3.23Å; S141-P256 WeakPolarHBondContact CB-O 3.4Å; S141-P256 PolarHBondContact OG-O 3.32Å; L240-P256 WeakPolarHBondContact O-CB 3.06Å; Y250-P256 HydrophobicContact CD1-CG 4.32Å; Y250-P256 HydrophobicContact CD2-CG 4.06Å; Y250-P256 HydrophobicContact CE1-CG 4.05Å; Y250-P256 HydrophobicContact CE2-CG 3.74Å; Y250-P256 HydrophobicContact CG-CG 4.33Å; P256-S258 WeakPolarHBondContact CB-O 3.23Å; P256-A259 HydrophobicContact CG-CB 3.81Å
257I98.2Very high96.2Very high2 Ų250 Ų501%0.0126%0.257CS..SBendtrans-72.4-39.9169.4-66.6174.2000110.2L137 I138 L142 Y145 L196 L240 F241L137-I257 WeakPolarHBondContact CA-O 3.15Å; I138-I257 PolarHBondContact N-O 3.07Å; L142-I257 HydrophobicContact CB-CG2 4.28Å; L142-I257 HydrophobicContact CD1-CD1 4.42Å; L142-I257 HydrophobicContact CD1-CG2 4.08Å; Y145-I257 HydrophobicContact CD1-CD1 4.28Å; Y145-I257 HydrophobicContact CD2-CD1 4.2Å; Y145-I257 HydrophobicContact CG-CD1 3.81Å; L196-I257 HydrophobicContact CD1-CD1 4.39Å; L240-I257 HydrophobicContact CB-CD1 4.15Å; L240-I257 HydrophobicContact CB-CG1 4.15Å; L240-I257 HydrophobicContact CD1-CD1 4.09Å; L240-I257 WeakPolarHBondContact O-CA 3.38Å; L240-I257 WeakPolarHBondContact O-CB 3.49Å; L240-I257 PolarHBondContact O-N 3.38Å; F241-I257 HydrophobicContact CE1-CG2 4.39Å; F241-I257 HydrophobicContact CE2-CD1 4.05Å; F241-I257 HydrophobicContact CZ-CB 4.42Å; F241-I257 HydrophobicContact CZ-CD1 4.03Å; F241-I257 HydrophobicContact CZ-CG2 4.36Å
258S98.4Very high96.3Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-133.7138.7178.353.90000110.7A136 T194 L240 F241 N242 P256A136-S258 WeakPolarHBondContact O-CA 3.23Å; T194-S258 WeakPolarHBondContact OG1-CB 3.08Å; L240-S258 PolarHBondContact O-N 3.09Å; L240-S258 VanDerWaalsContact O-N 3.16Å; F241-S258 WeakPolarHBondContact CA-OG 3.43Å; F241-S258 VanDerWaalsContact CD1-OG 3.23Å; F241-S258 WeakPolarHBondContact CD1-OG 3.45Å; N242-S258 PolarHBondContact N-O 2.91Å; N242-S258 CarbonylContact O-C 3.44Å; P256-S258 WeakPolarHBondContact CB-O 3.23Å
259A98.2Very high96.3Very high0 Ų051.1 Ų51.10%026%0.262CS..EExtended strand (participates in β ladder)trans-140.8162.9177.700000110.2V135 A136 N242 F247 Y250 P256 S261V135-A259 WeakPolarHBondContact CG1-O 3.27Å; A136-A259 PolarHBondContact N-O 3.4Å; A136-A259 PolarHBondContact O-N 3.17Å; N242-A259 CarbonylContact O-C 3.48Å; N242-A259 WeakPolarHBondContact O-CA 3.48Å; F247-A259 HydrophobicContact CB-CB 3.69Å; Y250-A259 HydrophobicContact CD2-CB 4.41Å; Y250-A259 HydrophobicContact CE2-CB 3.88Å; P256-A259 HydrophobicContact CG-CB 3.81Å; A259-S261 PolarHBondContact O-N 3.2Å
260R98Very high96.4Very high129 Ų12952.3 Ų52.349%0.48726%0.262SS..EExtended strand (participates in β ladder)trans-60.7135.5176.7-171.4-179.5170.9-174.1-0.4111.1N242 S243 E244 Q245 S246 F247N242-R260 PolarHBondContact O-N 3.45Å; S243-R260 WeakPolarHBondContact O-CB 3.45Å; S243-R260 WeakPolarHBondContact O-CD 3.05Å; S243-R260 WeakPolarHBondContact O-CG 3.38Å; E244-R260 VanDerWaalsContact O-CD 3.24Å; E244-R260 WeakPolarHBondContact O-CD 3.5Å; Q245-R260 WeakPolarHBondContact O-CB 3.33Å; Q245-R260 PolarHBondContact O-N 3.45Å; S246-R260 WeakPolarHBondContact CA-O 3.43Å; F247-R260 WeakPolarHBondContact CD1-O 3.46Å; F247-R260 PolarHBondContact N-O 3.22Å
261S97.3Very high96.5Very high4 Ų455.6 Ų55.63%0.02827%0.274CS..  trans-99.4175.8171.3-162.60000111.5D134 A259 L268D134-S261 WeakPolarHBondContact O-CA 3.19Å; D134-S261 WeakPolarHBondContact O-CB 3.35Å; D134-S261 PolarHBondContact O-N 2.83Å; A259-S261 PolarHBondContact O-N 3.2Å; S261-L268 WeakPolarHBondContact OG-CD1 3.31Å; S261-L268 WeakPolarHBondContact OG-CD2 3.34Å
262Y96.5Very high96.6Very high43 Ų4353.1 Ų53.117%0.16926%0.257CS..  trans-99.6133.5175.7-65.1-84.5000110.5S246 F247 D248 L267 R271S246-Y262 WeakPolarHBondContact CB-OH 3.19Å; S246-Y262 PolarHBondContact OG-OH 3.29Å; F247-Y262 AromaticContact CE1-CD2 3.86Å; F247-Y262 HydrophobicContact CE1-CD2 3.86Å; F247-Y262 AromaticContact CE1-CE2 3.94Å; F247-Y262 HydrophobicContact CE1-CE2 3.94Å; F247-Y262 HydrophobicContact CZ-CD2 4.31Å; F247-Y262 HydrophobicContact CZ-CE2 4.22Å; D248-Y262 PolarHBondContact OD1-OH 2.93Å; D248-Y262 PolarHBondContact OD2-OH 3Å; Y262-L267 HydrophobicContact CD1-CD2 3.4Å; Y262-L267 VanDerWaalsContact CD1-CD2 3.4Å; Y262-L267 HydrophobicContact CD1-CG 3.89Å; Y262-L267 HydrophobicContact CE1-CD2 3.8Å; Y262-L267 HydrophobicContact CE1-CG 4.28Å; Y262-L267 HydrophobicContact CG-CD2 4.03Å; Y262-L267 HydrophobicContact CG-CG 4.04Å; Y262-R271 HydrophobicContact CD2-CB 4.18Å; Y262-R271 HydrophobicContact CD2-CG 4.25Å; Y262-R271 HydrophobicContact CE2-CB 3.79Å; Y262-R271 HydrophobicContact CE2-CG 3.75Å
263S90.7Very high96.8Very high108 Ų10857.9 Ų57.976%0.75528%0.275SS*.SBendtrans-73.5-30.1173.253.10000112.5V265S263-V265 PolarHBondContact O-N 2.8Å
264N96.5Very high97Very high77 Ų7756.3 Ų56.341%0.41227%0.268SS..SBendtrans-73.4122.6170.9177-86.5000109.6E266 L267 L268N264-E266 PolarHBondContact ND2-OE2 3.27Å; N264-E266 PolarHBondContact OD1-N 2.92Å; N264-E266 PolarHBondContact OD1-OE2 2.9Å; N264-L267 HydrophobicContact CB-CB 4Å; N264-L267 PolarHBondContact O-N 3Å; N264-L267 WeakPolarHBondContact OD1-CB 3.47Å; N264-L267 PolarHBondContact OD1-N 3.09Å; N264-L268 WeakPolarHBondContact O-CB 3.11Å; N264-L268 PolarHBondContact O-N 3.4Å
265V96.5Very high97.2Very high14 Ų1449.5 Ų49.59%0.08524%0.236CC..Hα-helixtrans-68-43.4-170.5167.20000111.9Q52 V56 S263 L268 E269Q52-V265 HydrophobicContact CB-CG2 4.19Å; V56-V265 HydrophobicContact CB-CG1 3.68Å; V56-V265 HydrophobicContact CG1-CB 4.18Å; V56-V265 HydrophobicContact CG1-CG1 3.73Å; V56-V265 HydrophobicContact CG1-CG2 3.96Å; V56-V265 HydrophobicContact CG2-CG1 4.19Å; S263-V265 PolarHBondContact O-N 2.8Å; V265-L268 PolarHBondContact O-N 3.48Å; V265-E269 PolarHBondContact O-N 3.41Å; V265-E269 VanDerWaalsContact O-N 3.09Å
266E97Very high97.2Very high119 Ų11952.5 Ų52.556%0.55625%0.248SC*.Hα-helixtrans-65.6-43.1179.4-63.670-149.800110.9N264 E269 Q270N264-E266 PolarHBondContact ND2-OE2 3.27Å; N264-E266 PolarHBondContact OD1-N 2.92Å; N264-E266 PolarHBondContact OD1-OE2 2.9Å; E266-E269 PolarHBondContact O-N 2.88Å; E266-Q270 WeakPolarHBondContact O-CB 3.48Å; E266-Q270 PolarHBondContact O-N 3.22Å
267L97.6Very high97.1Very high55 Ų5556 Ų5629%0.28826%0.264SS..Hα-helixtrans-65.5-43.4177.8-175.463.2000111.3Y262 N264 E269 Q270 R271Y262-L267 HydrophobicContact CD1-CD2 3.4Å; Y262-L267 VanDerWaalsContact CD1-CD2 3.4Å; Y262-L267 HydrophobicContact CD1-CG 3.89Å; Y262-L267 HydrophobicContact CE1-CD2 3.8Å; Y262-L267 HydrophobicContact CE1-CG 4.28Å; Y262-L267 HydrophobicContact CG-CD2 4.03Å; Y262-L267 HydrophobicContact CG-CG 4.04Å; N264-L267 HydrophobicContact CB-CB 4Å; N264-L267 PolarHBondContact O-N 3Å; N264-L267 WeakPolarHBondContact OD1-CB 3.47Å; N264-L267 PolarHBondContact OD1-N 3.09Å; L267-E269 VanDerWaalsContact C-N 3.33Å; L267-E269 PolarHBondContact O-N 3.04Å; L267-Q270 PolarHBondContact O-N 2.83Å; L267-R271 HydrophobicContact CD1-CG 3.8Å; L267-R271 HydrophobicContact CG-CG 4.14Å; L267-R271 WeakPolarHBondContact O-CB 3.18Å; L267-R271 VanDerWaalsContact O-CG 3.23Å; L267-R271 WeakPolarHBondContact O-CG 3.35Å; L267-R271 PolarHBondContact O-N 2.83Å
268L98.1Very high97Very high0 Ų060.4 Ų60.40%028%0.281CS..Hα-helixtrans-55.9-50.3174.8175.850.3000110.9L53 V56 F247 S261 N264 V265 R271 W272L53-L268 HydrophobicContact CD1-CD2 4.39Å; V56-L268 HydrophobicContact CG1-CD2 3.76Å; V56-L268 HydrophobicContact CG2-CB 4.3Å; V56-L268 HydrophobicContact CG2-CD2 4.17Å; V56-L268 HydrophobicContact CG2-CG 4.07Å; F247-L268 HydrophobicContact CE1-CD1 3.74Å; F247-L268 HydrophobicContact CZ-CD1 4.12Å; S261-L268 WeakPolarHBondContact OG-CD1 3.31Å; S261-L268 WeakPolarHBondContact OG-CD2 3.34Å; N264-L268 WeakPolarHBondContact O-CB 3.11Å; N264-L268 PolarHBondContact O-N 3.4Å; V265-L268 PolarHBondContact O-N 3.48Å; L268-R271 PolarHBondContact O-N 2.81Å; L268-W272 VanDerWaalsContact O-CB 3.27Å; L268-W272 WeakPolarHBondContact O-CB 3.48Å; L268-W272 PolarHBondContact O-N 3.11Å
269E97.9Very high96.9Very high43 Ų4361.2 Ų61.220%0.20129%0.287CS..Hα-helixtrans-62.8-45.8-178.6-172.5169.5174.700112.3V56 R59 T60 V265 E266 L267 W272 K273V56-E269 HydrophobicContact CG2-CB 3.77Å; R59-E269 IonicContact CZ-OE2 3.89Å; R59-E269 VanDerWaalsContact CZ-OE2 3.23Å; R59-E269 VanDerWaalsContact NE-CD 3.29Å; R59-E269 IonicContact NE-OE1 2.94Å; R59-E269 IonicContact NE-OE2 2.73Å; R59-E269 PolarHBondContact NE-OE2 3.05Å; R59-E269 IonicContact NH2-OE2 3.89Å; R59-E269 PolarHBondContact NH2-OE2 2.91Å; T60-E269 HydrophobicContact CG2-CB 4.47Å; T60-E269 HydrophobicContact CG2-CG 4.5Å; V265-E269 PolarHBondContact O-N 3.41Å; V265-E269 VanDerWaalsContact O-N 3.09Å; E266-E269 PolarHBondContact O-N 2.88Å; L267-E269 VanDerWaalsContact C-N 3.33Å; L267-E269 PolarHBondContact O-N 3.04Å; E269-W272 PolarHBondContact O-N 2.93Å; E269-K273 HydrophobicContact CG-CD 4.39Å; E269-K273 WeakPolarHBondContact O-CG 3.37Å; E269-K273 PolarHBondContact O-N 3.45Å; E269-K273 VanDerWaalsContact O-N 3.12Å; E269-K273 WeakPolarHBondContact OE1-CE 3.45Å; E269-K273 IonicContact OE1-NZ 3.38Å; E269-K273 PolarHBondContact OE1-NZ 3.4Å
270Q98.1Very high96.6Very high103 Ų10368.2 Ų68.248%0.48131%0.313SS..Hα-helixtrans-60.2-53.2177.7-180-176.9-11.700111.1E266 L267 W272 K273 E274E266-Q270 WeakPolarHBondContact O-CB 3.48Å; E266-Q270 PolarHBondContact O-N 3.22Å; L267-Q270 PolarHBondContact O-N 2.83Å; Q270-W272 VanDerWaalsContact C-N 3.29Å; Q270-W272 PolarHBondContact O-N 3.35Å; Q270-K273 PolarHBondContact O-N 2.82Å; Q270-E274 VanDerWaalsContact CG-OE1 3.31Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.12Å; Q270-E274 PolarHBondContact NE2-OE1 3.49Å; Q270-E274 WeakPolarHBondContact O-CG 3.47Å; Q270-E274 PolarHBondContact O-N 3.39Å
271R98.2Very high96.3Very high89 Ų8967 Ų6734%0.33631%0.313SS..Hα-helixtrans-64.7-33.9-177.5-66.4-55.7-173.5123-10.7112.4F247 D248 Y262 L267 L268 E274 H275F247-R271 HydrophobicContact CE2-CB 4.44Å; F247-R271 HydrophobicContact CZ-CB 3.91Å; D248-R271 HydrophobicContact CB-CB 4.48Å; D248-R271 WeakPolarHBondContact OD2-CD 3.48Å; D248-R271 IonicContact OD2-CZ 2.85Å; D248-R271 IonicContact OD2-NH1 3.61Å; D248-R271 PolarHBondContact OD2-NH1 2.91Å; Y262-R271 HydrophobicContact CD2-CB 4.18Å; Y262-R271 HydrophobicContact CD2-CG 4.25Å; Y262-R271 HydrophobicContact CE2-CB 3.79Å; Y262-R271 HydrophobicContact CE2-CG 3.75Å; L267-R271 HydrophobicContact CD1-CG 3.8Å; L267-R271 HydrophobicContact CG-CG 4.14Å; L267-R271 WeakPolarHBondContact O-CB 3.18Å; L267-R271 VanDerWaalsContact O-CG 3.23Å; L267-R271 WeakPolarHBondContact O-CG 3.35Å; L267-R271 PolarHBondContact O-N 2.83Å; L268-R271 PolarHBondContact O-N 2.81Å; R271-E274 WeakPolarHBondContact CD-OE2 3.42Å; R271-E274 IonicContact NE-OE2 2.79Å; R271-H275 WeakPolarHBondContact O-CB 3.06Å; R271-H275 PolarHBondContact O-N 3.28Å
272W98.1Very high95.7Very high12 Ų1269.8 Ų69.85%0.04533%0.325CS..Hα-helixtrans-64.1-46174-169.6-101.8000111.7T60 W61 A136 I138 F247 L268 E269 Q270 H275 K276T60-W272 VanDerWaalsContact CA-CD1 3.48Å; T60-W272 HydrophobicContact CG2-CB 3.74Å; T60-W272 HydrophobicContact CG2-CG 3.86Å; T60-W272 PolarHBondContact O-NE1 2.9Å; W61-W272 HydrophobicContact CB-CD2 4.29Å; W61-W272 HydrophobicContact CB-CE3 4.16Å; W61-W272 HydrophobicContact CB-CH2 3.32Å; W61-W272 HydrophobicContact CB-CZ2 3.43Å; W61-W272 VanDerWaalsContact CB-CZ2 3.43Å; W61-W272 HydrophobicContact CB-CZ3 3.71Å; A136-W272 HydrophobicContact CB-CZ3 4.07Å; I138-W272 HydrophobicContact CD1-CH2 3.77Å; I138-W272 HydrophobicContact CD1-CZ3 3.91Å; F247-W272 HydrophobicContact CD1-CE3 4.45Å; F247-W272 AromaticContact CD2-CE3 3.69Å; F247-W272 HydrophobicContact CD2-CE3 3.69Å; F247-W272 AromaticContact CD2-CZ3 3.81Å; F247-W272 HydrophobicContact CD2-CZ3 3.81Å; F247-W272 HydrophobicContact CE1-CE3 4.23Å; F247-W272 HydrophobicContact CE2-CB 4.4Å; F247-W272 HydrophobicContact CE2-CD2 4.38Å; F247-W272 AromaticContact CE2-CE3 3.46Å; F247-W272 HydrophobicContact CE2-CE3 3.46Å; F247-W272 VanDerWaalsContact CE2-CE3 3.46Å; F247-W272 HydrophobicContact CE2-CZ3 4.09Å; F247-W272 HydrophobicContact CG-CE3 4.22Å; F247-W272 HydrophobicContact CG-CZ3 4.12Å; F247-W272 HydrophobicContact CZ-CB 4.22Å; F247-W272 AromaticContact CZ-CE3 3.76Å; F247-W272 HydrophobicContact CZ-CE3 3.76Å; L268-W272 VanDerWaalsContact O-CB 3.27Å; L268-W272 WeakPolarHBondContact O-CB 3.48Å; L268-W272 PolarHBondContact O-N 3.11Å; E269-W272 PolarHBondContact O-N 2.93Å; Q270-W272 VanDerWaalsContact C-N 3.29Å; Q270-W272 PolarHBondContact O-N 3.35Å; W272-H275 PolarHBondContact O-N 3.42Å; W272-K276 HydrophobicContact CZ2-CD 4.08Å; W272-K276 WeakPolarHBondContact O-CB 3.25Å; W272-K276 VanDerWaalsContact O-CG 3.22Å; W272-K276 WeakPolarHBondContact O-CG 3.38Å; W272-K276 PolarHBondContact O-N 2.86Å
273K97.6Very high95Very high123 Ų12371.3 Ų71.354%0.53534%0.342SS..Hα-helixtrans-61.7-47.1177.3-71.5173.2-174169.80111.8E269 Q270 H275 K276 E277E269-K273 HydrophobicContact CG-CD 4.39Å; E269-K273 WeakPolarHBondContact O-CG 3.37Å; E269-K273 PolarHBondContact O-N 3.45Å; E269-K273 VanDerWaalsContact O-N 3.12Å; E269-K273 WeakPolarHBondContact OE1-CE 3.45Å; E269-K273 IonicContact OE1-NZ 3.38Å; E269-K273 PolarHBondContact OE1-NZ 3.4Å; Q270-K273 PolarHBondContact O-N 2.82Å; K273-H275 PolarHBondContact O-N 3.47Å; K273-K276 PolarHBondContact O-N 3.39Å; K273-E277 WeakPolarHBondContact O-CB 3.42Å; K273-E277 PolarHBondContact O-N 2.99Å
274E97.6Very high94.4Very high91 Ų9168.8 Ų68.843%0.42532%0.324SS..Hα-helixtrans-60.5-44.6177-70.9171.6-175.500111.9Q270 R271 E277 R278Q270-E274 VanDerWaalsContact CG-OE1 3.31Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.12Å; Q270-E274 PolarHBondContact NE2-OE1 3.49Å; Q270-E274 WeakPolarHBondContact O-CG 3.47Å; Q270-E274 PolarHBondContact O-N 3.39Å; R271-E274 WeakPolarHBondContact CD-OE2 3.42Å; R271-E274 IonicContact NE-OE2 2.79Å; E274-E277 PolarHBondContact O-N 2.82Å; E274-R278 VanDerWaalsContact O-CB 3.28Å; E274-R278 WeakPolarHBondContact O-CB 3.4Å; E274-R278 PolarHBondContact O-N 3.41Å
275H97Very high93.3Very high6 Ų668.1 Ų68.13%0.02833%0.326CS..Hα-helixtrans-59.3-48.1176169.369.6000112.1F247 D248 R271 W272 K273 E277 R278 C279F247-H275 HydrophobicContact CD2-CB 4.16Å; F247-H275 AromaticContact CD2-CG 3.94Å; F247-H275 HydrophobicContact CE2-CB 3.86Å; D248-H275 HydrophobicContact CB-CB 4.12Å; R271-H275 WeakPolarHBondContact O-CB 3.06Å; R271-H275 PolarHBondContact O-N 3.28Å; W272-H275 PolarHBondContact O-N 3.42Å; K273-H275 PolarHBondContact O-N 3.47Å; H275-E277 PolarHBondContact O-N 3.44Å; H275-R278 PolarHBondContact ND1-NH2 3.17Å; H275-R278 PolarHBondContact O-N 2.05Å; H275-C279 VanDerWaalsContact CE1-SG 3.6Å; H275-C279 PolarHBondContact O-N 2.99Å
276K96.2Very high92.1Very high84 Ų8469.2 Ų69.237%0.36533%0.334SS..Hα-helixtrans-62.9-43.7180-69.4-71.5-68.1-159.40111.6D64 W272 K273 C279 R280D64-K276 IonicContact OD1-NZ 3.28Å; D64-K276 PolarHBondContact OD1-NZ 3.39Å; D64-K276 IonicContact OD2-NZ 2.69Å; D64-K276 PolarHBondContact OD2-NZ 3.35Å; W272-K276 HydrophobicContact CZ2-CD 4.08Å; W272-K276 WeakPolarHBondContact O-CB 3.25Å; W272-K276 VanDerWaalsContact O-CG 3.22Å; W272-K276 WeakPolarHBondContact O-CG 3.38Å; W272-K276 PolarHBondContact O-N 2.86Å; K273-K276 PolarHBondContact O-N 3.39Å; K276-C279 PolarHBondContact O-N 3.45Å; K276-R280 VanDerWaalsContact O-CB 3.29Å; K276-R280 WeakPolarHBondContact O-CB 3.44Å; K276-R280 PolarHBondContact O-N 2.97Å
277E96.1Very high90.6Very high74 Ų7466.2 Ų66.235%0.34633%0.326SS..Hα-helixtrans-65.3-45.3178.3-178.954.7-159.800111.6K273 E274 H275 C279 R280 Q281K273-E277 WeakPolarHBondContact O-CB 3.42Å; K273-E277 PolarHBondContact O-N 2.99Å; E274-E277 PolarHBondContact O-N 2.82Å; H275-E277 PolarHBondContact O-N 3.44Å; E277-C279 PolarHBondContact O-N 3.13Å; E277-R280 VanDerWaalsContact CD-NH2 3.3Å; E277-R280 PolarHBondContact O-N 3.4Å; E277-R280 IonicContact OE1-CZ 3.76Å; E277-R280 IonicContact OE1-NE 2.79Å; E277-R280 IonicContact OE1-NH2 3.35Å; E277-R280 PolarHBondContact OE1-NH2 3.3Å; E277-R280 IonicContact OE2-CZ 3.69Å; E277-R280 IonicContact OE2-NE 2.96Å; E277-R280 PolarHBondContact OE2-NE 3.33Å; E277-R280 IonicContact OE2-NH2 2.81Å; E277-R280 PolarHBondContact OE2-NH2 2.94Å; E277-R280 VanDerWaalsContact OE2-NH2 3.1Å; E277-Q281 WeakPolarHBondContact O-CG 3.45Å; E277-Q281 PolarHBondContact O-N 2.74Å; E277-Q281 PolarHBondContact OE1-NE2 2.85Å
278R95.9Very high88.6Confident94 Ų9468.3 Ų68.336%0.35534%0.338SS..Hα-helixtrans-55.3-48.8175178.8175.263.787.5-6.1111.8D248 Y250 C252 E274 H275 Q281 H282D248-R278 PolarHBondContact O-NH2 2.79Å; Y250-R278 PolarHBondContact O-NH1 3.21Å; Y250-R278 VanDerWaalsContact O-NH1 3.12Å; Y250-R278 PolarHBondContact O-NH2 3.45Å; C252-R278 PolarHBondContact SG-NH1 2.95Å; E274-R278 VanDerWaalsContact O-CB 3.28Å; E274-R278 WeakPolarHBondContact O-CB 3.4Å; E274-R278 PolarHBondContact O-N 3.41Å; H275-R278 PolarHBondContact ND1-NH2 3.17Å; H275-R278 PolarHBondContact O-N 2.05Å; R278-Q281 PolarHBondContact O-N 3.17Å; R278-H282 PolarHBondContact O-N 3.14Å; R278-H282 VanDerWaalsContact O-N 3.09Å
279C95.3Very high86.2Confident18 Ų1870.7 Ų70.712%0.12236%0.355CS..Hα-helixtrans-73.3-30.5-178.4-65.70000113.6C252 H275 K276 E277 H282 S283C252-C279 HydrophobicContact CB-CB 3.74Å; C252-C279 WeakPolarHBondContact CB-SG 3.35Å; C252-C279 WeakPolarHBondContact SG-CA 3.46Å; C252-C279 WeakPolarHBondContact SG-CB 3.48Å; C252-C279 CovalentContact SG-SG 2.05Å; C252-C279 PolarHBondContact SG-SG 3.45Å; H275-C279 VanDerWaalsContact CE1-SG 3.6Å; H275-C279 PolarHBondContact O-N 2.99Å; K276-C279 PolarHBondContact O-N 3.45Å; E277-C279 PolarHBondContact O-N 3.13Å; C279-H282 PolarHBondContact O-N 3.01Å; C279-S283 PolarHBondContact O-N 3.41Å; C279-S283 VanDerWaalsContact O-N 3.09Å; C279-S283 PolarHBondContact O-OG 2.87Å
280R92.3Very high84Confident146 Ų14676.9 Ų76.955%0.55138%0.377SS*.Hα-helixtrans-62.9-46.3171.7-171.3-171.670.777.8-0.9111.7K276 E277 H282 S283 S284K276-R280 VanDerWaalsContact O-CB 3.29Å; K276-R280 WeakPolarHBondContact O-CB 3.44Å; K276-R280 PolarHBondContact O-N 2.97Å; E277-R280 VanDerWaalsContact CD-NH2 3.3Å; E277-R280 PolarHBondContact O-N 3.4Å; E277-R280 IonicContact OE1-CZ 3.76Å; E277-R280 IonicContact OE1-NE 2.79Å; E277-R280 IonicContact OE1-NH2 3.35Å; E277-R280 PolarHBondContact OE1-NH2 3.3Å; E277-R280 IonicContact OE2-CZ 3.69Å; E277-R280 IonicContact OE2-NE 2.96Å; E277-R280 PolarHBondContact OE2-NE 3.33Å; E277-R280 IonicContact OE2-NH2 2.81Å; E277-R280 PolarHBondContact OE2-NH2 2.94Å; E277-R280 VanDerWaalsContact OE2-NH2 3.1Å; R280-H282 VanDerWaalsContact C-N 3.33Å; R280-H282 PolarHBondContact O-N 2.68Å; R280-S283 PolarHBondContact O-N 3.39Å; R280-S284 PolarHBondContact O-N 3.27Å
281Q90.9Very high81.8Confident103 Ų10377.3 Ų77.348%0.48138%0.382SS..Hα-helixtrans-62.4-41.2177.1-70.41792.700111.6E277 R278 S283 S284 S285E277-Q281 WeakPolarHBondContact O-CG 3.45Å; E277-Q281 PolarHBondContact O-N 2.74Å; E277-Q281 PolarHBondContact OE1-NE2 2.85Å; R278-Q281 PolarHBondContact O-N 3.17Å; Q281-S283 PolarHBondContact O-N 3.36Å; Q281-S284 PolarHBondContact O-N 2.89Å; Q281-S284 VanDerWaalsContact O-N 3.12Å; Q281-S284 PolarHBondContact O-OG 3.38Å; Q281-S285 PolarHBondContact O-N 3.07Å; Q281-S285 PolarHBondContact O-OG 2.99Å
282H86.2Confident79.3Confident64 Ų6476.3 Ų76.330%0.29639%0.386SS..Hα-helixtrans-61.2-41.2176.4-175.685.4000113.1C252 E253 R278 C279 R280 S284 S285 S286C252-H282 HydrophobicContact CB-CB 4.47Å; E253-H282 VanDerWaalsContact CD-CE1 3.45Å; E253-H282 IonicContact OE1-CD2 3.46Å; E253-H282 IonicContact OE1-CE1 3.5Å; E253-H282 PolarHBondContact OE1-CE1 3.22Å; E253-H282 IonicContact OE1-ND1 2.68Å; E253-H282 IonicContact OE1-NE2 2.72Å; E253-H282 PolarHBondContact OE1-NE2 2.05Å; E253-H282 IonicContact OE2-NE2 3.42Å; R278-H282 PolarHBondContact O-N 3.14Å; R278-H282 VanDerWaalsContact O-N 3.09Å; C279-H282 PolarHBondContact O-N 3.01Å; R280-H282 VanDerWaalsContact C-N 3.33Å; R280-H282 PolarHBondContact O-N 2.68Å; H282-S284 VanDerWaalsContact C-N 3.29Å; H282-S284 PolarHBondContact O-N 2.85Å; H282-S285 PolarHBondContact O-N 3.45Å; H282-S285 PolarHBondContact O-OG 3.06Å; H282-S286 PolarHBondContact O-N 2.97Å; H282-S286 VanDerWaalsContact O-N 3.11Å; H282-S286 PolarHBondContact O-OG 2.84Å
283S82.3Confident76.8Confident75 Ų7580.5 Ų80.552%0.52441%0.41SS..Hα-helixtrans-65.5-31.5174-57.60000113C279 R280 Q281 S286 S287C279-S283 PolarHBondContact O-N 3.41Å; C279-S283 VanDerWaalsContact O-N 3.09Å; C279-S283 PolarHBondContact O-OG 2.87Å; R280-S283 PolarHBondContact O-N 3.39Å; Q281-S283 PolarHBondContact O-N 3.36Å; S283-S286 WeakPolarHBondContact CA-OG 3.23Å; S283-S286 PolarHBondContact O-OG 2.79Å; S283-S286 VanDerWaalsContact O-OG 3.04Å; S283-S287 PolarHBondContact O-N 3.44Å; S283-S287 PolarHBondContact O-OG 2.83Å
284S76.3Confident74.6Confident54 Ų5476.3 Ų76.338%0.37840%0.401SS..Hα-helixtrans-75-36.1176.971.80000113.4R280 Q281 H282 S287 N288R280-S284 PolarHBondContact O-N 3.27Å; Q281-S284 PolarHBondContact O-N 2.89Å; Q281-S284 VanDerWaalsContact O-N 3.12Å; Q281-S284 PolarHBondContact O-OG 3.38Å; H282-S284 VanDerWaalsContact C-N 3.29Å; H282-S284 PolarHBondContact O-N 2.85Å; S284-S287 WeakPolarHBondContact CA-OG 3.49Å; S284-S287 PolarHBondContact O-OG 3.02Å; S284-N288 PolarHBondContact O-N 2.72Å; S284-N288 VanDerWaalsContact O-N 3.14Å
285S73.5Confident72.7Confident64 Ų6478 Ų7845%0.44841%0.409SS..Hα-helixtrans-73.6-38.8177.961.50000112.1Q281 H282 N288 S289Q281-S285 PolarHBondContact O-N 3.07Å; Q281-S285 PolarHBondContact O-OG 2.99Å; H282-S285 PolarHBondContact O-N 3.45Å; H282-S285 PolarHBondContact O-OG 3.06Å; S285-N288 PolarHBondContact O-N 2.79Å; S285-S289 PolarHBondContact O-N 2.85Å
286S71Confident70.5Confident36 Ų3683.7 Ų83.725%0.25244%0.435SS..Hα-helixtrans-62.8-45173.548.20000111.8H282 S283 N288 S289 Y290H282-S286 PolarHBondContact O-N 2.97Å; H282-S286 VanDerWaalsContact O-N 3.11Å; H282-S286 PolarHBondContact O-OG 2.84Å; S283-S286 WeakPolarHBondContact CA-OG 3.23Å; S283-S286 PolarHBondContact O-OG 2.79Å; S283-S286 VanDerWaalsContact O-OG 3.04Å; S286-N288 VanDerWaalsContact C-N 3.34Å; S286-N288 PolarHBondContact O-N 3.16Å; S286-S289 PolarHBondContact O-N 3.2Å; S286-S289 PolarHBondContact O-OG 3.39Å; S286-Y290 WeakPolarHBondContact O-CD2 3.13Å; S286-Y290 PolarHBondContact O-N 2.93Å
287S66.6Low68.4Low57 Ų5786.4 Ų86.440%0.39945%0.451SS..Hα-helixtrans-62.2-38.5175.549.20000113.1S283 S284 Y290 L291S283-S287 PolarHBondContact O-N 3.44Å; S283-S287 PolarHBondContact O-OG 2.83Å; S284-S287 WeakPolarHBondContact CA-OG 3.49Å; S284-S287 PolarHBondContact O-OG 3.02Å; S287-Y290 PolarHBondContact O-N 3.26Å; S287-L291 WeakPolarHBondContact O-CG 3.4Å; S287-L291 PolarHBondContact O-N 3.27Å; S287-L291 VanDerWaalsContact O-N 3.14Å
288N56Low66.8Low99 Ų9991.7 Ų91.753%0.52947%0.468SS..Hα-helixtrans-65.8-39.4172.7-81.3-14.6000113.1S284 S285 S286 Y290 L291 T292S284-N288 PolarHBondContact O-N 2.72Å; S284-N288 VanDerWaalsContact O-N 3.14Å; S285-N288 PolarHBondContact O-N 2.79Å; S286-N288 VanDerWaalsContact C-N 3.34Å; S286-N288 PolarHBondContact O-N 3.16Å; N288-Y290 PolarHBondContact O-N 2.97Å; N288-L291 WeakPolarHBondContact O-CB 3.05Å; N288-L291 PolarHBondContact O-N 3.36Å; N288-T292 WeakPolarHBondContact O-CG2 3.45Å; N288-T292 PolarHBondContact O-N 3.14Å; N288-T292 PolarHBondContact O-OG1 3.11Å
289S48.1Very low65.5Low50 Ų5091.2 Ų91.235%0.3548%0.475SS..Hα-helixtrans-68.4-33.4178.472.30000112.6S285 S286 T292 N293S285-S289 PolarHBondContact O-N 2.85Å; S286-S289 PolarHBondContact O-N 3.2Å; S286-S289 PolarHBondContact O-OG 3.39Å; S289-T292 WeakPolarHBondContact CA-OG1 3.38Å; S289-T292 PolarHBondContact O-N 3.34Å; S289-T292 PolarHBondContact O-OG1 2.85Å; S289-N293 WeakPolarHBondContact O-CB 3.39Å; S289-N293 PolarHBondContact O-N 2.94Å; S289-N293 PolarHBondContact O-ND2 3.45Å
290Y49.7Very low64Low172 Ų17295.1 Ų95.168%0.67549%0.494SS*.Hα-helixtrans-66-37.4169.8-73.5-68.6000112.2S286 S287 N288 G294S286-Y290 WeakPolarHBondContact O-CD2 3.13Å; S286-Y290 PolarHBondContact O-N 2.93Å; S287-Y290 PolarHBondContact O-N 3.26Å; N288-Y290 PolarHBondContact O-N 2.97Å; Y290-G294 PolarHBondContact O-N 3.33Å
291L52.4Low62.6Low112 Ų11295.2 Ų95.259%0.58650%0.498SS*.Hα-helixtrans-65.8-44.3174.1-73.6166000111.7S287 N288 G294 Q295S287-L291 WeakPolarHBondContact O-CG 3.4Å; S287-L291 PolarHBondContact O-N 3.27Å; S287-L291 VanDerWaalsContact O-N 3.14Å; N288-L291 WeakPolarHBondContact O-CB 3.05Å; N288-L291 PolarHBondContact O-N 3.36Å; L291-G294 PolarHBondContact O-N 3.34Å; L291-Q295 WeakPolarHBondContact O-CG 3.24Å; L291-Q295 PolarHBondContact O-N 2.89Å
292T46.1Very low61.4Low69 Ų6997.1 Ų97.142%0.42351%0.505SS..Hα-helixtrans-69.3-39.5177.357.50000112.2N288 S289 Q295 H296N288-T292 WeakPolarHBondContact O-CG2 3.45Å; N288-T292 PolarHBondContact O-N 3.14Å; N288-T292 PolarHBondContact O-OG1 3.11Å; S289-T292 WeakPolarHBondContact CA-OG1 3.38Å; S289-T292 PolarHBondContact O-N 3.34Å; S289-T292 PolarHBondContact O-OG1 2.85Å; T292-Q295 WeakPolarHBondContact O-CB 3.42Å; T292-Q295 PolarHBondContact O-N 3.12Å; T292-H296 PolarHBondContact O-N 3.23Å
293N44.8Very low60.6Low100 Ų10097.5 Ų97.554%0.53551%0.514SS..Hα-helixtrans-67.4-38.2174.9-75.2-18.9000111.3S289 Q295 H296 M297S289-N293 WeakPolarHBondContact O-CB 3.39Å; S289-N293 PolarHBondContact O-N 2.94Å; S289-N293 PolarHBondContact O-ND2 3.45Å; N293-Q295 VanDerWaalsContact C-N 3.32Å; N293-Q295 PolarHBondContact O-N 2.89Å; N293-H296 PolarHBondContact O-N 3.47Å; N293-M297 WeakPolarHBondContact O-CB 3.05Å; N293-M297 PolarHBondContact O-N 3.49Å
294G51.3Low59.9Low34 Ų34100.7 Ų100.735%0.35152%0.519SS..Hα-helixtrans-62.7-37.2171.900000112.6Y290 L291 R298Y290-G294 PolarHBondContact O-N 3.33Å; L291-G294 PolarHBondContact O-N 3.34Å; G294-R298 WeakPolarHBondContact O-CG 3.44Å; G294-R298 PolarHBondContact O-N 3.39Å; G294-R298 VanDerWaalsContact O-N 3.12Å
295Q58.1Low59.5Low127 Ų127102.9 Ų102.959%0.59353%0.526SS*.Hα-helixtrans-67.1-47.2171.2-75.3177.7-8.400111.8L291 T292 N293 M297 R298 V299L291-Q295 WeakPolarHBondContact O-CG 3.24Å; L291-Q295 PolarHBondContact O-N 2.89Å; T292-Q295 WeakPolarHBondContact O-CB 3.42Å; T292-Q295 PolarHBondContact O-N 3.12Å; N293-Q295 VanDerWaalsContact C-N 3.32Å; N293-Q295 PolarHBondContact O-N 2.89Å; Q295-M297 VanDerWaalsContact C-N 3.32Å; Q295-M297 PolarHBondContact O-N 3.46Å; Q295-R298 WeakPolarHBondContact O-CA 3.22Å; Q295-R298 WeakPolarHBondContact O-CB 3.19Å; Q295-R298 PolarHBondContact O-N 2.99Å; Q295-R298 VanDerWaalsContact O-N 3.09Å; Q295-V299 WeakPolarHBondContact O-CG2 3.17Å; Q295-V299 PolarHBondContact O-N 3.16Å
296H50.8Low59.2Low126 Ų126104.4 Ų104.458%0.58353%0.528SS*.Hα-helixtrans-59-40.8175.4-102.3-79.1000112.3T292 N293 R298 V299 I300T292-H296 PolarHBondContact O-N 3.23Å; N293-H296 PolarHBondContact O-N 3.47Å; H296-R298 VanDerWaalsContact C-N 3.32Å; H296-R298 PolarHBondContact O-N 3.45Å; H296-V299 PolarHBondContact O-N 2.73Å; H296-I300 VanDerWaalsContact O-CG1 3.3Å; H296-I300 WeakPolarHBondContact O-CG1 3.41Å; H296-I300 PolarHBondContact O-N 2.81Å
297M53.6Low58.9Low140 Ų140105.8 Ų105.869%0.6954%0.537SS*.Hα-helixtrans-62.3-39.7174.9-120.4-173.3-176.500111.6N293 Q295 I300 F301N293-M297 WeakPolarHBondContact O-CB 3.05Å; N293-M297 PolarHBondContact O-N 3.49Å; Q295-M297 VanDerWaalsContact C-N 3.32Å; Q295-M297 PolarHBondContact O-N 3.46Å; M297-I300 PolarHBondContact O-N 3.12Å; M297-F301 WeakPolarHBondContact O-CB 3.47Å; M297-F301 PolarHBondContact O-N 2.9Å
298R62Low58.9Low185 Ų185107.9 Ų107.970%0.69854%0.544SS*.Hα-helixtrans-63.6-43.1173-73.5175.9179.5-171.90.5111.6G294 Q295 H296 F301 F302G294-R298 WeakPolarHBondContact O-CG 3.44Å; G294-R298 PolarHBondContact O-N 3.39Å; G294-R298 VanDerWaalsContact O-N 3.12Å; Q295-R298 WeakPolarHBondContact O-CA 3.22Å; Q295-R298 WeakPolarHBondContact O-CB 3.19Å; Q295-R298 PolarHBondContact O-N 2.99Å; Q295-R298 VanDerWaalsContact O-N 3.09Å; H296-R298 VanDerWaalsContact C-N 3.32Å; H296-R298 PolarHBondContact O-N 3.45Å; R298-F301 PolarHBondContact O-N 3.05Å; R298-F302 WeakPolarHBondContact O-CD2 3Å; R298-F302 PolarHBondContact O-N 3.03Å
299V67.4Low59Low85 Ų85111.1 Ų111.152%0.51555%0.549SS..Hα-helixtrans-62.3-44.1176.1179.80000111Q295 H296 F301 F302 C303Q295-V299 WeakPolarHBondContact O-CG2 3.17Å; Q295-V299 PolarHBondContact O-N 3.16Å; H296-V299 PolarHBondContact O-N 2.73Å; V299-F301 VanDerWaalsContact C-N 3.34Å; V299-F301 PolarHBondContact O-N 3.08Å; V299-F302 PolarHBondContact O-N 2.98Å; V299-C303 WeakPolarHBondContact O-CB 3.28Å; V299-C303 PolarHBondContact O-N 2.91Å; V299-C303 PolarHBondContact O-SG 3.13Å
300I65.1Low59.8Low99 Ų99114.3 Ų114.351%0.50856%0.559SS.*Hα-helixtrans-61.5-43.1176.2-67.3165.5000110.6H296 M297 F302 C303 F304H296-I300 VanDerWaalsContact O-CG1 3.3Å; H296-I300 WeakPolarHBondContact O-CG1 3.41Å; H296-I300 PolarHBondContact O-N 2.81Å; M297-I300 PolarHBondContact O-N 3.12Å; I300-F302 VanDerWaalsContact C-N 3.35Å; I300-F302 PolarHBondContact O-N 3.35Å; I300-C303 PolarHBondContact O-N 3.33Å; I300-F304 WeakPolarHBondContact O-CB 3.34Å; I300-F304 PolarHBondContact O-N 2.89Å
301F61.6Low60.5Low148 Ų148111.8 Ų111.865%0.64956%0.556SS**Hα-helixtrans-61.5-42175.7-121.1-89.1000112.1M297 R298 V299 F304 L305M297-F301 WeakPolarHBondContact O-CB 3.47Å; M297-F301 PolarHBondContact O-N 2.9Å; R298-F301 PolarHBondContact O-N 3.05Å; V299-F301 VanDerWaalsContact C-N 3.34Å; V299-F301 PolarHBondContact O-N 3.08Å; F301-F304 PolarHBondContact O-N 2.96Å; F301-L305 HydrophobicContact CD1-CD1 4.45Å; F301-L305 WeakPolarHBondContact O-CG 3.14Å; F301-L305 PolarHBondContact O-N 3.19Å
302F67.4Low60.8Low144 Ų144109.7 Ų109.763%0.63255%0.551SS**Hα-helixtrans-64.7-42.4174.6-95.2-80.9000112.2R298 V299 I300 L305 L306R298-F302 WeakPolarHBondContact O-CD2 3Å; R298-F302 PolarHBondContact O-N 3.03Å; V299-F302 PolarHBondContact O-N 2.98Å; I300-F302 VanDerWaalsContact C-N 3.35Å; I300-F302 PolarHBondContact O-N 3.35Å; F302-L305 PolarHBondContact O-N 3.41Å; F302-L306 WeakPolarHBondContact O-CB 3.38Å; F302-L306 WeakPolarHBondContact O-CG 3.36Å; F302-L306 PolarHBondContact O-N 2.88Å
303C68.7Low61.2Low71 Ų71111.2 Ų111.248%0.4856%0.557SS.*Hα-helixtrans-63.3-39.6174.4-75.40000112.2V299 I300 L306 C307V299-C303 WeakPolarHBondContact O-CB 3.28Å; V299-C303 PolarHBondContact O-N 2.91Å; V299-C303 PolarHBondContact O-SG 3.13Å; I300-C303 PolarHBondContact O-N 3.33Å; C303-L306 PolarHBondContact O-N 2.03Å; C303-C307 WeakPolarHBondContact O-CB 3.39Å; C303-C307 PolarHBondContact O-N 3.14Å
304F66.7Low61.4Low142 Ų142112 Ų11262%0.62357%0.569SS**Hα-helixtrans-66.1-41.8177.3-129.3-88000111.6I300 F301 C307 L308I300-F304 WeakPolarHBondContact O-CB 3.34Å; I300-F304 PolarHBondContact O-N 2.89Å; F301-F304 PolarHBondContact O-N 2.96Å; F304-C307 PolarHBondContact O-N 3.06Å; F304-L308 HydrophobicContact CD1-CD1 4.31Å; F304-L308 WeakPolarHBondContact O-CG 3.36Å; F304-L308 PolarHBondContact O-N 2.67Å
305L69.1Low61.3Low100 Ų100114.5 Ų114.552%0.52459%0.586SS.*Hα-helixtrans-64.7-40.6174.8-73.4167.1000111.9F301 F302 L308 W309F301-L305 HydrophobicContact CD1-CD1 4.45Å; F301-L305 WeakPolarHBondContact O-CG 3.14Å; F301-L305 PolarHBondContact O-N 3.19Å; F302-L305 PolarHBondContact O-N 3.41Å; L305-L308 PolarHBondContact O-N 3.14Å; L305-W309 WeakPolarHBondContact O-CB 3.42Å; L305-W309 PolarHBondContact O-N 2.87Å
306L66.5Low60.9Low96 Ų96117.5 Ų117.550%0.50361%0.613SS.*Hα-helixtrans-65.7-40174.7-77.4165.3000112.4F302 C303 W309 M310F302-L306 WeakPolarHBondContact O-CB 3.38Å; F302-L306 WeakPolarHBondContact O-CG 3.36Å; F302-L306 PolarHBondContact O-N 2.88Å; C303-L306 PolarHBondContact O-N 2.03Å; L306-W309 PolarHBondContact O-N 3.4Å; L306-M310 WeakPolarHBondContact O-CG 3.44Å; L306-M310 PolarHBondContact O-N 3.05Å
307C64.9Low61.4Low65 Ų65117.1 Ų117.144%0.43962%0.615SS.*Hα-helixtrans-64.3-41.9173.5-91.10000112.2C303 F304 W309 M310 I311C303-C307 WeakPolarHBondContact O-CB 3.39Å; C303-C307 PolarHBondContact O-N 3.14Å; F304-C307 PolarHBondContact O-N 3.06Å; C307-W309 VanDerWaalsContact C-N 3.28Å; C307-W309 PolarHBondContact O-N 2.72Å; C307-M310 PolarHBondContact O-N 2.93Å; C307-I311 WeakPolarHBondContact O-CD1 3.4Å; C307-I311 VanDerWaalsContact O-CG1 3.23Å; C307-I311 WeakPolarHBondContact O-CG1 3.23Å; C307-I311 PolarHBondContact O-N 3.13Å
308L65.9Low61.8Low102 Ų102115.9 Ų115.953%0.53461%0.611SS.*Hα-helixtrans-63.2-36.8175.8-74.2168.8000111.8F304 L305 I311 S312F304-L308 HydrophobicContact CD1-CD1 4.31Å; F304-L308 WeakPolarHBondContact O-CG 3.36Å; F304-L308 PolarHBondContact O-N 2.67Å; L305-L308 PolarHBondContact O-N 3.14Å; L308-I311 PolarHBondContact O-N 3.2Å; L308-S312 PolarHBondContact O-N 2.77Å; L308-S312 VanDerWaalsContact O-N 3.16Å
309W59.3Low61.8Low167 Ų167112.1 Ų112.163%0.63361%0.606SS**Hα-helixtrans-69.5-39.6176.1-16159000112.5L305 L306 C307 I311 S312 D313L305-W309 WeakPolarHBondContact O-CB 3.42Å; L305-W309 PolarHBondContact O-N 2.87Å; L306-W309 PolarHBondContact O-N 3.4Å; C307-W309 VanDerWaalsContact C-N 3.28Å; C307-W309 PolarHBondContact O-N 2.72Å; W309-I311 VanDerWaalsContact C-N 3.33Å; W309-I311 PolarHBondContact O-N 2.95Å; W309-S312 PolarHBondContact O-N 3.08Å; W309-S312 PolarHBondContact O-OG 2.73Å; W309-D313 PolarHBondContact O-N 2.91Å
310M64.5Low61.5Low116 Ų116113.6 Ų113.657%0.57161%0.611SS**Hα-helixtrans-69.2-28.5174.7-72-171.1-68.700113.4L306 C307L306-M310 WeakPolarHBondContact O-CG 3.44Å; L306-M310 PolarHBondContact O-N 3.05Å; C307-M310 PolarHBondContact O-N 2.93Å
311I65Low61.3Low120 Ų120114.6 Ų114.662%0.61562%0.618SS**Hα-helixtrans-76.3-31.2175.9-65.4162.9000111C307 L308 W309 D313 C314C307-I311 WeakPolarHBondContact O-CD1 3.4Å; C307-I311 VanDerWaalsContact O-CG1 3.23Å; C307-I311 WeakPolarHBondContact O-CG1 3.23Å; C307-I311 PolarHBondContact O-N 3.13Å; L308-I311 PolarHBondContact O-N 3.2Å; W309-I311 VanDerWaalsContact C-N 3.33Å; W309-I311 PolarHBondContact O-N 2.95Å; I311-D313 VanDerWaalsContact C-N 3.32Å; I311-D313 PolarHBondContact O-N 3.32Å; I311-C314 PolarHBondContact O-N 3.45Å
312S58.6Low61.3Low67 Ų67112.3 Ų112.347%0.46962%0.616SS.*Hα-helixtrans-69.2-28.8175.856.70000113.5L308 W309 C314L308-S312 PolarHBondContact O-N 2.77Å; L308-S312 VanDerWaalsContact O-N 3.16Å; W309-S312 PolarHBondContact O-N 3.08Å; W309-S312 PolarHBondContact O-OG 2.73Å; S312-C314 VanDerWaalsContact C-N 3.34Å
313D54.8Low60.8Low102 Ų102110.1 Ų110.155%0.54561%0.614SS.*THydrogen-bonded Turntrans-82-7.8-179.9-73.5-10.7000114W309 I311W309-D313 PolarHBondContact O-N 2.91Å; I311-D313 VanDerWaalsContact C-N 3.32Å; I311-D313 PolarHBondContact O-N 3.32Å
314C49.3Very low60.2Low117 Ų117113.1 Ų113.179%0.79163%0.625SS**THydrogen-bonded Turntrans-97.72.6175.9-97.30000114I311 S312I311-C314 PolarHBondContact O-N 3.45Å; S312-C314 VanDerWaalsContact C-N 3.34Å
315A47.7Very low59.7Low86 Ų86110.7 Ų110.771%0.71163%0.625SS**  trans-108.817.5-174.300000115.1
316T50.7Low58.8Low190 Ų190111.6 Ų111.6100%1.16663%0.634SS**  trans-122.10171.851.10000111.2

Retrieved 316 of 316 residues in 311.8 ms (Link to these results)

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