A0A2K5MXY8_CERAT Loading...

NPR2 like, GATOR1 complex subunit

AlphaFold DB , UniProt , Accession A0A2K5MXY8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene NPRL2, Length 380 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
1M25.6Very low61.2Low249 Ų24972.2 Ų72.2100%1.22743%0.427SS*.  088.50-72173.7174.300107.1
2G34.5Very low62.8Low83 Ų8366.3 Ų66.386%0.85639%0.392SS*.  trans-117.575.7-168.800000111G4G2-G4 PolarHBondContact O-N 3.22Å
3S41.1Very low63.5Low117 Ų11761.2 Ų61.282%0.81836%0.362SS*.  trans-91.361.916544.90000108.5
4G53.3Low64.3Low48 Ų4858.9 Ų58.950%0.49535%0.346SS..SBendtrans-81.8-16.8-17600000114.4G2 K94G2-G4 PolarHBondContact O-N 3.22Å; G4-K94 PolarHBondContact O-N 3.13Å; G4-K94 VanDerWaalsContact O-N 3.15Å
5C59.6Low64.6Low38 Ų3859.2 Ų59.226%0.25734%0.341SS..  trans-156.899.2178.6-161.10000109.3K94 L98C5-K94 PolarHBondContact SG-O 3.33Å; C5-L98 WeakPolarHBondContact SG-CD1 3.46Å
6R69.9Low64.3Low185 Ų18560.4 Ų60.470%0.69834%0.343SS*.  trans-100.8124171.7-169.6172.5-173.71740.6108.1
7I75.9Confident63.7Low5 Ų560.6 Ų60.63%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-83123.6173.6-58.1165000106.2I10 F87 L98 L136 L139 N140I7-I10 HydrophobicContact CG2-CG1 4.13Å; I7-F87 HydrophobicContact CD1-CD1 3.91Å; I7-F87 HydrophobicContact CD1-CE1 3.95Å; I7-F87 HydrophobicContact CG1-CD1 4.32Å; I7-F87 HydrophobicContact CG2-CD1 3.77Å; I7-F87 HydrophobicContact CG2-CE1 4.42Å; I7-L98 HydrophobicContact CD1-CD1 4.35Å; I7-L98 HydrophobicContact CD1-CD2 3.96Å; I7-L98 HydrophobicContact CG1-CD1 3.9Å; I7-L98 HydrophobicContact CG1-CD2 4.32Å; I7-L136 HydrophobicContact CB-CD1 3.91Å; I7-L136 HydrophobicContact CG2-CD1 3.55Å; I7-L136 WeakPolarHBondContact O-CD1 3.3Å; I7-L139 HydrophobicContact CD1-CB 3.74Å; I7-L139 HydrophobicContact CD1-CD1 3.72Å; I7-L139 HydrophobicContact CD1-CG 4.36Å; I7-N140 PolarHBondContact N-OD1 2.88Å; I7-N140 PolarHBondContact O-ND2 3.43Å
8E75.4Confident63Low65 Ų6563.8 Ų63.830%0.30437%0.368SS..EExtended strand (participates in β ladder)trans-89.4-41.7179.2-59.9-166.4135.200110.5P28 F31 V88E8-P28 WeakPolarHBondContact O-CD 3.49Å; E8-F31 HydrophobicContact CB-CE1 3.93Å; E8-F31 HydrophobicContact CB-CZ 3.8Å; E8-F31 HydrophobicContact CG-CZ 4.44Å; E8-F31 WeakPolarHBondContact OE2-CZ 3.14Å; E8-V88 PolarHBondContact N-O 2.81Å
9C75.9Confident62.4Low0 Ų066.1 Ų66.10%038%0.378CS..EExtended strand (participates in β ladder)trans-146.7156.5179.3-58.40000113.5V27 P28 F31 V88C9-V27 VanDerWaalsContact CA-O 3.27Å; C9-V27 WeakPolarHBondContact CA-O 3.48Å; C9-V27 WeakPolarHBondContact CB-O 3.34Å; C9-P28 WeakPolarHBondContact SG-CD 3.29Å; C9-F31 HydrophobicContact CB-CD1 4.26Å; C9-F31 WeakPolarHBondContact SG-CB 3.36Å; C9-F31 WeakPolarHBondContact SG-CD1 3.37Å; C9-F31 WeakPolarHBondContact SG-CE1 3.35Å; C9-F31 WeakPolarHBondContact SG-CG 3.24Å; C9-V88 HydrophobicContact CB-CB 4Å; C9-V88 HydrophobicContact CB-CG2 4.08Å; C9-V88 PolarHBondContact N-O 2.97Å; C9-V88 PolarHBondContact O-N 3.39Å
10I81.5Confident62.4Low1 Ų163.7 Ų63.71%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-121.8134.5164.4-48.7178.1000106.6I7 V27 L85 G86 F87 M132 L135 L136I7-I10 HydrophobicContact CG2-CG1 4.13Å; I10-V27 PolarHBondContact N-O 3.02Å; I10-V27 PolarHBondContact O-N 2.9Å; I10-L85 HydrophobicContact CG2-CD2 4.31Å; I10-G86 WeakPolarHBondContact CA-O 3.05Å; I10-F87 HydrophobicContact CD1-CD1 4.17Å; I10-F87 HydrophobicContact CD1-CE1 3.51Å; I10-F87 HydrophobicContact CD1-CZ 3.94Å; I10-F87 HydrophobicContact CG1-CD1 3.87Å; I10-F87 HydrophobicContact CG1-CE1 3.73Å; I10-F87 HydrophobicContact CG1-CZ 4.32Å; I10-F87 HydrophobicContact CG2-CE1 4.48Å; I10-F87 HydrophobicContact CG2-CE2 4.35Å; I10-F87 HydrophobicContact CG2-CZ 4.31Å; I10-M132 HydrophobicContact CB-CE 3.81Å; I10-M132 HydrophobicContact CG2-CE 3.5Å; I10-M132 HydrophobicContact CG2-CG 4.41Å; I10-M132 VanDerWaalsContact O-CE 3.23Å; I10-M132 WeakPolarHBondContact O-CE 3.41Å; I10-L135 HydrophobicContact CD1-CB 4.03Å; I10-L136 HydrophobicContact CD1-CB 4.17Å; I10-L136 HydrophobicContact CG1-CD1 4.33Å
11F80.4Confident62.3Low3 Ų362 Ų621%0.01336%0.359CS..EExtended strand (participates in β ladder)trans-128.1148.1174.570.3-87.4000110.7I23 Y25 Q26 I32 I44 L64 G86 V88F11-I23 HydrophobicContact CB-CG2 4.37Å; F11-I23 HydrophobicContact CD2-CG1 4.36Å; F11-Y25 WeakPolarHBondContact CA-O 3.2Å; F11-Q26 HydrophobicContact CB-CG 4.19Å; F11-I32 HydrophobicContact CB-CD1 3.94Å; F11-I32 HydrophobicContact CD1-CD1 3.65Å; F11-I32 HydrophobicContact CE1-CD1 4.29Å; F11-I32 HydrophobicContact CG-CD1 3.82Å; F11-I44 HydrophobicContact CE2-CD1 4.16Å; F11-I44 HydrophobicContact CE2-CG1 4.17Å; F11-I44 HydrophobicContact CE2-CG2 4.31Å; F11-I44 HydrophobicContact CZ-CD1 4.44Å; F11-I44 HydrophobicContact CZ-CG1 4.33Å; F11-L64 HydrophobicContact CE1-CD2 4.18Å; F11-L64 HydrophobicContact CZ-CD2 4.38Å; F11-G86 WeakPolarHBondContact CD1-O 3.45Å; F11-G86 PolarHBondContact N-O 2.85Å; F11-G86 PolarHBondContact O-N 3.38Å; F11-V88 HydrophobicContact CD1-CG2 3.75Å; F11-V88 HydrophobicContact CE1-CG2 3.85Å
12F80.4Confident64.2Low1 Ų154.7 Ų54.70%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-119.9126.1173.7-178.2-97.9000108.1E14 T24 Y25 F83 L85 L109 V119 L128 M132F12-E14 HydrophobicContact CE1-CB 4.46Å; F12-T24 VanDerWaalsContact CD1-OG1 3.24Å; F12-T24 WeakPolarHBondContact CD1-OG1 3.32Å; F12-T24 PolarHBondContact O-N 3.15Å; F12-T24 PolarHBondContact O-OG1 2.99Å; F12-Y25 HydrophobicContact CD1-CD2 4.05Å; F12-Y25 PolarHBondContact N-O 3.12Å; F12-Y25 PolarHBondContact O-N 2.93Å; F12-F83 HydrophobicContact CE2-CB 4.1Å; F12-F83 AromaticContact CE2-CD2 3.6Å; F12-F83 HydrophobicContact CE2-CD2 3.6Å; F12-F83 HydrophobicContact CE2-CE2 4.39Å; F12-F83 HydrophobicContact CE2-CG 4.15Å; F12-F83 HydrophobicContact CZ-CB 3.85Å; F12-F83 HydrophobicContact CZ-CD2 4.09Å; F12-F83 HydrophobicContact CZ-CG 4.19Å; F12-L85 HydrophobicContact CD2-CB 4.36Å; F12-L85 HydrophobicContact CD2-CD1 4.47Å; F12-L109 HydrophobicContact CE2-CD1 4.39Å; F12-V119 HydrophobicContact CZ-CG1 4.05Å; F12-L128 HydrophobicContact CB-CD2 4.13Å; F12-L128 HydrophobicContact CD2-CD1 4.47Å; F12-L128 HydrophobicContact CD2-CD2 4.44Å; F12-L128 HydrophobicContact CE2-CD1 4.43Å; F12-L128 HydrophobicContact CG-CD2 4.15Å; F12-M132 HydrophobicContact CB-CE 4.14Å; F12-M132 HydrophobicContact CB-SD 4.26Å
13S72.6Confident65.7Low1 Ų152.9 Ų52.91%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-123.2140.4-179.8-177.40000110.3K22 I44 F83 N84S13-K22 VanDerWaalsContact CA-O 3.3Å; S13-K22 WeakPolarHBondContact CA-O 3.44Å; S13-K22 WeakPolarHBondContact CB-O 3.34Å; S13-K22 PolarHBondContact OG-O 3.4Å; S13-I44 WeakPolarHBondContact OG-CG2 3.35Å; S13-F83 CarbonylContact O-C 3.44Å; S13-F83 VanDerWaalsContact O-CA 3.32Å; S13-F83 WeakPolarHBondContact O-CA 3.36Å; S13-N84 PolarHBondContact N-O 3.48Å; S13-N84 PolarHBondContact O-N 3.39Å
14E74.5Confident66.9Low29 Ų2950 Ų5014%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-127.4144.9179.2-171.5179.9174.100109.3F12 H16 K22 T24 K125F12-E14 HydrophobicContact CE1-CB 4.46Å; E14-H16 PolarHBondContact O-N 2.88Å; E14-K22 PolarHBondContact N-O 3.23Å; E14-K22 PolarHBondContact O-N 2.89Å; E14-K22 VanDerWaalsContact O-N 3.11Å; E14-K22 VanDerWaalsContact O-O 3.14Å; E14-T24 HydrophobicContact CB-CG2 4.07Å; E14-K125 IonicContact OE1-NZ 3.18Å; E14-K125 PolarHBondContact OE1-NZ 3Å; E14-K125 IonicContact OE2-NZ 2.73Å; E14-K125 PolarHBondContact OE2-NZ 3.12Å
15F68.6Low67.8Low63 Ų6350.6 Ų50.628%0.27626%0.256SS..EExtended strand (participates in β ladder)trans-84107.4171.9-168.8-103.6000110.4P21 I45 L82F15-P21 HydrophobicContact CD2-CG 4.26Å; F15-P21 HydrophobicContact CE2-CG 4.25Å; F15-I45 HydrophobicContact CB-CD1 3.85Å; F15-I45 HydrophobicContact CD2-CD1 3.65Å; F15-I45 HydrophobicContact CD2-CG2 4.04Å; F15-I45 HydrophobicContact CG-CD1 4.24Å; F15-L82 HydrophobicContact CB-CB 3.78Å; F15-L82 HydrophobicContact CB-CD1 4.26Å; F15-L82 HydrophobicContact CD1-CD1 4.24Å; F15-L82 HydrophobicContact CG-CD1 4.22Å; F15-L82 PolarHBondContact N-O 3.03Å
16H59.8Low68.5Low79 Ų7950 Ų5037%0.36625%0.25SC..EExtended strand (participates in β ladder)trans-80.6131.5176.7-162.4-84000110.9E14 T18 L19 G20E14-H16 PolarHBondContact O-N 2.88Å; H16-T18 VanDerWaalsContact C-N 3.25Å; H16-T18 PolarHBondContact CE1-OG1 2.76Å; H16-T18 PolarHBondContact ND1-N 3.01Å; H16-T18 PolarHBondContact ND1-OG1 2.56Å; H16-T18 PolarHBondContact O-N 2.94Å; H16-T18 VanDerWaalsContact O-N 3.09Å; H16-L19 HydrophobicContact CB-CB 4.14Å; H16-L19 PolarHBondContact O-N 2.82Å; H16-G20 PolarHBondContact N-O 3.48Å; H16-G20 PolarHBondContact O-N 3Å
17P54.6Low68.6Low63 Ų6341.8 Ų41.841%0.40922%0.22SC..THydrogen-bonded Turntrans-56.6-31.4-173.8-2733.4000115.7
18T50.8Low68Low118 Ų11844.3 Ų44.372%0.72424%0.237SC*.THydrogen-bonded Turntrans-108.6-18.1-177.132.80000115H16H16-T18 VanDerWaalsContact C-N 3.25Å; H16-T18 PolarHBondContact CE1-OG1 2.76Å; H16-T18 PolarHBondContact ND1-N 3.01Å; H16-T18 PolarHBondContact ND1-OG1 2.56Å; H16-T18 PolarHBondContact O-N 2.94Å; H16-T18 VanDerWaalsContact O-N 3.09Å
19L51.4Low67.1Low108 Ų10849.3 Ų49.357%0.56526%0.26SS*.THydrogen-bonded Turntrans-118.6-3.6-170.4-63.4163.9000112.8H16 K22H16-L19 HydrophobicContact CB-CB 4.14Å; H16-L19 PolarHBondContact O-N 2.82Å; L19-K22 HydrophobicContact CB-CD 4.31Å
20G61.3Low66.3Low17 Ų1756.6 Ų56.618%0.17530%0.299CS..EExtended strand (participates in β ladder)trans78.3-158179.300000113.5H16 K22H16-G20 PolarHBondContact N-O 3.48Å; H16-G20 PolarHBondContact O-N 3Å; G20-K22 PolarHBondContact O-N 2.81Å
21P61.9Low65.2Low28 Ų2860 Ų6018%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-62122.4178.5-17.830000111F15 F37 Q41 I45F15-P21 HydrophobicContact CD2-CG 4.26Å; F15-P21 HydrophobicContact CE2-CG 4.25Å; P21-F37 HydrophobicContact CB-CZ 4.35Å; P21-F37 WeakPolarHBondContact O-CZ 3.18Å; P21-Q41 HydrophobicContact CB-CG 3.6Å; P21-Q41 HydrophobicContact CG-CG 3.71Å; P21-Q41 PolarHBondContact O-NE2 3.47Å; P21-I45 HydrophobicContact CB-CD1 3.38Å; P21-I45 HydrophobicContact CB-CG1 4.05Å; P21-I45 HydrophobicContact CG-CD1 3.87Å; P21-I45 HydrophobicContact CG-CG1 4.44Å
22K65.3Low64.3Low96 Ų9660.8 Ų60.842%0.41732%0.318SS..EExtended strand (participates in β ladder)trans-130.1138170.3-77-172.5168.5-174.20110.8S13 E14 L19 G20 T24S13-K22 VanDerWaalsContact CA-O 3.3Å; S13-K22 WeakPolarHBondContact CA-O 3.44Å; S13-K22 WeakPolarHBondContact CB-O 3.34Å; S13-K22 PolarHBondContact OG-O 3.4Å; E14-K22 PolarHBondContact N-O 3.23Å; E14-K22 PolarHBondContact O-N 2.89Å; E14-K22 VanDerWaalsContact O-N 3.11Å; E14-K22 VanDerWaalsContact O-O 3.14Å; L19-K22 HydrophobicContact CB-CD 4.31Å; G20-K22 PolarHBondContact O-N 2.81Å; K22-T24 PolarHBondContact O-N 3.06Å
23I66.1Low63.3Low46 Ų4663.4 Ų63.424%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-73.3119.2159.8-65.3166.4000105.7F11 Y25 Q26 I32 F37F11-I23 HydrophobicContact CB-CG2 4.37Å; F11-I23 HydrophobicContact CD2-CG1 4.36Å; I23-Y25 WeakPolarHBondContact CG2-O 3.41Å; I23-Q26 HydrophobicContact CG2-CB 4.27Å; I23-I32 HydrophobicContact CD1-CD1 4.18Å; I23-I32 HydrophobicContact CD1-CG2 4.16Å; I23-F37 HydrophobicContact CD1-CB 4.46Å; I23-F37 HydrophobicContact CD1-CD2 3.26Å; I23-F37 HydrophobicContact CD1-CE2 3.67Å; I23-F37 HydrophobicContact CD1-CG 4.05Å; I23-F37 HydrophobicContact CG1-CD2 3.68Å; I23-F37 HydrophobicContact CG1-CE2 3.48Å; I23-F37 VanDerWaalsContact CG1-CE2 3.48Å; I23-F37 HydrophobicContact CG1-CZ 4.34Å
24T65Low62.8Low57 Ų5773.7 Ų73.735%0.3538%0.375SS..EExtended strand (participates in β ladder)trans-94-34.9179.642.20000110.9F12 E14 K22F12-T24 VanDerWaalsContact CD1-OG1 3.24Å; F12-T24 WeakPolarHBondContact CD1-OG1 3.32Å; F12-T24 PolarHBondContact O-N 3.15Å; F12-T24 PolarHBondContact O-OG1 2.99Å; E14-T24 HydrophobicContact CB-CG2 4.07Å; K22-T24 PolarHBondContact O-N 3.06Å
25Y72.3Confident62Low60 Ų6078.9 Ų78.924%0.23540%0.4CS..EExtended strand (participates in β ladder)trans-138.8141.4177.4-58.9-69000111.7F11 F12 I23 K125 V129F11-Y25 WeakPolarHBondContact CA-O 3.2Å; F12-Y25 HydrophobicContact CD1-CD2 4.05Å; F12-Y25 PolarHBondContact N-O 3.12Å; F12-Y25 PolarHBondContact O-N 2.93Å; I23-Y25 WeakPolarHBondContact CG2-O 3.41Å; Y25-K125 HydrophobicContact CE2-CB 3.93Å; Y25-K125 WeakPolarHBondContact OH-CB 3.4Å; Y25-V129 HydrophobicContact CD1-CG2 3.28Å; Y25-V129 HydrophobicContact CE1-CG2 3.76Å; Y25-V129 HydrophobicContact CG-CG2 3.72Å
26Q75.1Confident61.8Low24 Ų2476.2 Ų76.211%0.11239%0.388CS..EExtended strand (participates in β ladder)trans-141.2135.5175.5-169.3-178.1-11.700109.8F11 I23 P28 F31 I32F11-Q26 HydrophobicContact CB-CG 4.19Å; I23-Q26 HydrophobicContact CG2-CB 4.27Å; Q26-P28 WeakPolarHBondContact CG-O 3.42Å; Q26-F31 VanDerWaalsContact NE2-CB 3.34Å; Q26-I32 HydrophobicContact CG-CD1 4.48Å; Q26-I32 VanDerWaalsContact NE2-CG1 3.28Å
27V71.4Confident61.9Low13 Ų1373.9 Ų73.98%0.07938%0.377CS..EExtended strand (participates in β ladder)trans-130.8119.4174.5-175.60000108.8C9 I10 V129 M132 T133 L136C9-V27 VanDerWaalsContact CA-O 3.27Å; C9-V27 WeakPolarHBondContact CA-O 3.48Å; C9-V27 WeakPolarHBondContact CB-O 3.34Å; I10-V27 PolarHBondContact N-O 3.02Å; I10-V27 PolarHBondContact O-N 2.9Å; V27-V129 HydrophobicContact CG2-CG1 4.12Å; V27-M132 HydrophobicContact CB-CB 4.37Å; V27-M132 HydrophobicContact CG2-CB 3.88Å; V27-M132 HydrophobicContact CG2-SD 4.45Å; V27-T133 HydrophobicContact CG1-CG2 4.45Å; V27-L136 HydrophobicContact CG1-CD2 4.21Å
28P63.8Low62.3Low59 Ų5975.8 Ų75.838%0.38338%0.384SS..SBendcis-65.8153-8.4-19.534.3000113.7E8 C9 Q26 L136E8-P28 WeakPolarHBondContact O-CD 3.49Å; C9-P28 WeakPolarHBondContact SG-CD 3.29Å; Q26-P28 WeakPolarHBondContact CG-O 3.42Å; P28-L136 HydrophobicContact CG-CD2 4.48Å
29E56.9Low62.8Low169 Ų16974.6 Ų74.679%0.7938%0.377SS*.THydrogen-bonded Turntrans-56.3141.6178.2-66.3-175.9164.800111.5F31E29-F31 VanDerWaalsContact C-N 3.27Å; E29-F31 PolarHBondContact O-N 3.29Å; E29-F31 VanDerWaalsContact O-N 3.13Å
30D59.5Low63.3Low153 Ų15369.7 Ų69.782%0.81835%0.351SS*.THydrogen-bonded Turntrans59.215.3175.5-69.6-27.7000118I32D30-I32 VanDerWaalsContact C-N 3.29Å; D30-I32 PolarHBondContact O-N 2.9Å
31F57.2Low63.3Low74 Ų7471.7 Ų71.733%0.32536%0.356SS..  trans-73.3-17.1179.1-172.5-88.3000114.4E8 C9 Q26 E29 K62E8-F31 HydrophobicContact CB-CE1 3.93Å; E8-F31 HydrophobicContact CB-CZ 3.8Å; E8-F31 HydrophobicContact CG-CZ 4.44Å; E8-F31 WeakPolarHBondContact OE2-CZ 3.14Å; C9-F31 HydrophobicContact CB-CD1 4.26Å; C9-F31 WeakPolarHBondContact SG-CB 3.36Å; C9-F31 WeakPolarHBondContact SG-CD1 3.37Å; C9-F31 WeakPolarHBondContact SG-CE1 3.35Å; C9-F31 WeakPolarHBondContact SG-CG 3.24Å; Q26-F31 VanDerWaalsContact NE2-CB 3.34Å; E29-F31 VanDerWaalsContact C-N 3.27Å; E29-F31 PolarHBondContact O-N 3.29Å; E29-F31 VanDerWaalsContact O-N 3.13Å; F31-K62 HydrophobicContact CE1-CD 4.32Å; F31-K62 VanDerWaalsContact CZ-NZ 3.32Å
32I61.3Low63.2Low19 Ų1975.5 Ų75.510%0.09738%0.379CS..SBendtrans-98.2112.1177-71.7162.4000106.4F11 I23 Q26 D30 L36 F37 V88F11-I32 HydrophobicContact CB-CD1 3.94Å; F11-I32 HydrophobicContact CD1-CD1 3.65Å; F11-I32 HydrophobicContact CE1-CD1 4.29Å; F11-I32 HydrophobicContact CG-CD1 3.82Å; I23-I32 HydrophobicContact CD1-CD1 4.18Å; I23-I32 HydrophobicContact CD1-CG2 4.16Å; Q26-I32 HydrophobicContact CG-CD1 4.48Å; Q26-I32 VanDerWaalsContact NE2-CG1 3.28Å; D30-I32 VanDerWaalsContact C-N 3.29Å; D30-I32 PolarHBondContact O-N 2.9Å; I32-L36 HydrophobicContact CG2-CB 4.27Å; I32-L36 HydrophobicContact CG2-CD2 4.23Å; I32-F37 HydrophobicContact CG2-CB 4.17Å; I32-V88 HydrophobicContact CD1-CG2 4.19Å
33S60.5Low62.8Low56 Ų5676.8 Ų76.839%0.39238%0.381SS..  trans-63146.2173.5570000110.3E35 L36 F37S33-E35 PolarHBondContact O-N 2.9Å; S33-E35 VanDerWaalsContact O-N 3.12Å; S33-L36 WeakPolarHBondContact O-CB 3.31Å; S33-L36 PolarHBondContact O-N 3.49Å; S33-L36 WeakPolarHBondContact OG-CB 3.41Å; S33-L36 PolarHBondContact OG-N 3.24Å; S33-F37 PolarHBondContact O-N 3.4Å
34R61.2Low62.5Low216 Ų21674.9 Ų74.982%0.81537%0.372SS*.Hα-helixtrans-54.4-31.8175.8-68.1-178.1-176.9167.91.9112.1F37 D38R34-F37 WeakPolarHBondContact O-CB 3.29Å; R34-F37 PolarHBondContact O-N 3.34Å; R34-D38 VanDerWaalsContact O-CG 3.23Å; R34-D38 PolarHBondContact O-N 3.36Å
35E58.8Low62.2Low138 Ų13873.9 Ų73.965%0.64536%0.364SS*.Hα-helixtrans-67-39.5175.9-60.4179.3174.700113.4S33 F37 T39S33-E35 PolarHBondContact O-N 2.9Å; S33-E35 VanDerWaalsContact O-N 3.12Å; E35-F37 VanDerWaalsContact C-N 3.35Å; E35-T39 PolarHBondContact O-N 3.45Å; E35-T39 PolarHBondContact O-OG1 3Å
36L63.5Low61.4Low8 Ų871.9 Ų71.94%0.04236%0.358CS..Hα-helixtrans-69.9-38.1173.9-163.182.7000110I32 S33 T39 V40 A59 M60 L64I32-L36 HydrophobicContact CG2-CB 4.27Å; I32-L36 HydrophobicContact CG2-CD2 4.23Å; S33-L36 WeakPolarHBondContact O-CB 3.31Å; S33-L36 PolarHBondContact O-N 3.49Å; S33-L36 WeakPolarHBondContact OG-CB 3.41Å; S33-L36 PolarHBondContact OG-N 3.24Å; L36-T39 PolarHBondContact O-N 2.62Å; L36-V40 HydrophobicContact CG-CG2 4.41Å; L36-V40 WeakPolarHBondContact O-CB 3.35Å; L36-V40 WeakPolarHBondContact O-CG2 3.36Å; L36-V40 PolarHBondContact O-N 2.95Å; L36-A59 HydrophobicContact CD1-CB 4.02Å; L36-M60 HydrophobicContact CD1-CB 3.93Å; L36-M60 HydrophobicContact CD1-CG 3.92Å; L36-M60 HydrophobicContact CD1-SD 3.78Å; L36-L64 HydrophobicContact CD2-CD1 4.38Å
37F62.6Low60.5Low29 Ų2978.4 Ų78.413%0.12739%0.386CS..Hα-helixtrans-62.2-48174.6-178.1-111.7000111.6P21 I23 I32 S33 R34 E35 T39 V40 Q41 I44P21-F37 HydrophobicContact CB-CZ 4.35Å; P21-F37 WeakPolarHBondContact O-CZ 3.18Å; I23-F37 HydrophobicContact CD1-CB 4.46Å; I23-F37 HydrophobicContact CD1-CD2 3.26Å; I23-F37 HydrophobicContact CD1-CE2 3.67Å; I23-F37 HydrophobicContact CD1-CG 4.05Å; I23-F37 HydrophobicContact CG1-CD2 3.68Å; I23-F37 HydrophobicContact CG1-CE2 3.48Å; I23-F37 VanDerWaalsContact CG1-CE2 3.48Å; I23-F37 HydrophobicContact CG1-CZ 4.34Å; I32-F37 HydrophobicContact CG2-CB 4.17Å; S33-F37 PolarHBondContact O-N 3.4Å; R34-F37 WeakPolarHBondContact O-CB 3.29Å; R34-F37 PolarHBondContact O-N 3.34Å; E35-F37 VanDerWaalsContact C-N 3.35Å; F37-T39 VanDerWaalsContact C-N 3.26Å; F37-T39 PolarHBondContact O-N 3.02Å; F37-V40 CarbonylContact O-C 3.55Å; F37-V40 PolarHBondContact O-N 3.12Å; F37-V40 VanDerWaalsContact O-N 3.15Å; F37-Q41 HydrophobicContact CE1-CG 4.18Å; F37-Q41 HydrophobicContact CE2-CG 4.5Å; F37-Q41 HydrophobicContact CZ-CG 4.02Å; F37-Q41 WeakPolarHBondContact O-CA 2.72Å; F37-Q41 VanDerWaalsContact O-CB 3.24Å; F37-Q41 WeakPolarHBondContact O-CB 3.25Å; F37-Q41 PolarHBondContact O-N 2.96Å; F37-I44 HydrophobicContact CD2-CD1 3.72Å; F37-I44 HydrophobicContact CE2-CD1 3.79Å
38D61.9Low59.8Low103 Ų10382.7 Ų82.755%0.55141%0.414SS*.Hα-helixtrans-62.2-34.5-179.6-69.6-18.7000112.2R34R34-D38 VanDerWaalsContact O-CG 3.23Å; R34-D38 PolarHBondContact O-N 3.36Å
39T61.6Low59.4Low93 Ų9387.9 Ų87.957%0.57143%0.433SS*.Hα-helixtrans-73.4-36.1176.6-52.30000112.4E35 L36 F37E35-T39 PolarHBondContact O-N 3.45Å; E35-T39 PolarHBondContact O-OG1 3Å; L36-T39 PolarHBondContact O-N 2.62Å; F37-T39 VanDerWaalsContact C-N 3.26Å; F37-T39 PolarHBondContact O-N 3.02Å
40V62.6Low59.5Low5 Ų584 Ų843%0.0342%0.417CS..Hα-helixtrans-96.9-9.6-174.8-172.80000111.2L36 F37 V42 Y43 I44 A59 L64L36-V40 HydrophobicContact CG-CG2 4.41Å; L36-V40 WeakPolarHBondContact O-CB 3.35Å; L36-V40 WeakPolarHBondContact O-CG2 3.36Å; L36-V40 PolarHBondContact O-N 2.95Å; F37-V40 CarbonylContact O-C 3.55Å; F37-V40 PolarHBondContact O-N 3.12Å; F37-V40 VanDerWaalsContact O-N 3.15Å; V40-V42 PolarHBondContact O-N 3.31Å; V40-V42 VanDerWaalsContact O-N 3.12Å; V40-Y43 CarbonylContact O-C 3.57Å; V40-Y43 WeakPolarHBondContact O-CA 3.47Å; V40-Y43 WeakPolarHBondContact O-CB 3.5Å; V40-Y43 PolarHBondContact O-N 3.29Å; V40-I44 HydrophobicContact CB-CD1 4.11Å; V40-I44 HydrophobicContact CB-CG1 4.37Å; V40-I44 HydrophobicContact CG1-CD1 3.88Å; V40-I44 HydrophobicContact CG1-CG1 3.68Å; V40-I44 WeakPolarHBondContact O-CG1 3.22Å; V40-I44 PolarHBondContact O-N 2.73Å; V40-A59 HydrophobicContact CG2-CB 4.14Å; V40-L64 HydrophobicContact CB-CD2 4.34Å; V40-L64 HydrophobicContact CG1-CD2 3.69Å; V40-L64 HydrophobicContact CG2-CD2 4.16Å
41Q61.7Low59.6Low60 Ų6078.5 Ų78.528%0.2839%0.387SS..Hα-helixtrans-54-40.1-176.6-165.1-179.922.400112.5P21 F37 Y43 I44 I45P21-Q41 HydrophobicContact CB-CG 3.6Å; P21-Q41 HydrophobicContact CG-CG 3.71Å; P21-Q41 PolarHBondContact O-NE2 3.47Å; F37-Q41 HydrophobicContact CE1-CG 4.18Å; F37-Q41 HydrophobicContact CE2-CG 4.5Å; F37-Q41 HydrophobicContact CZ-CG 4.02Å; F37-Q41 WeakPolarHBondContact O-CA 2.72Å; F37-Q41 VanDerWaalsContact O-CB 3.24Å; F37-Q41 WeakPolarHBondContact O-CB 3.25Å; F37-Q41 PolarHBondContact O-N 2.96Å; Q41-Y43 VanDerWaalsContact C-N 3.26Å; Q41-Y43 PolarHBondContact O-N 3.39Å; Q41-I44 PolarHBondContact O-N 2.73Å; Q41-I45 PolarHBondContact O-N 3.24Å
42V59.3Low60Low108 Ų10880.3 Ų80.366%0.65540%0.4SS*.Hα-helixtrans-65.5-30.2177.5-177.10000112.1V40V40-V42 PolarHBondContact O-N 3.31Å; V40-V42 VanDerWaalsContact O-N 3.12Å
43Y57.5Low60.2Low122 Ų12285.4 Ų85.448%0.47842%0.421SS..Hα-helixtrans-90.1-28.7176.6-66.3-82.3000112V40 Q41 I45 T46 I55 V57V40-Y43 CarbonylContact O-C 3.57Å; V40-Y43 WeakPolarHBondContact O-CA 3.47Å; V40-Y43 WeakPolarHBondContact O-CB 3.5Å; V40-Y43 PolarHBondContact O-N 3.29Å; Q41-Y43 VanDerWaalsContact C-N 3.26Å; Q41-Y43 PolarHBondContact O-N 3.39Å; Y43-I45 VanDerWaalsContact C-N 3.25Å; Y43-I45 PolarHBondContact O-N 2.99Å; Y43-T46 WeakPolarHBondContact O-CG2 3.34Å; Y43-I55 WeakPolarHBondContact O-CD1 3.25Å; Y43-V57 HydrophobicContact CD1-CG2 3.86Å; Y43-V57 HydrophobicContact CD2-CG2 4.47Å; Y43-V57 HydrophobicContact CG-CG2 3.83Å
44I59.1Low60.7Low6 Ų685.4 Ų85.43%0.03142%0.416CS..Hα-helixtrans-66.6-32.9177.3-67.1165.4000110.2F11 S13 F37 V40 Q41 N84F11-I44 HydrophobicContact CE2-CD1 4.16Å; F11-I44 HydrophobicContact CE2-CG1 4.17Å; F11-I44 HydrophobicContact CE2-CG2 4.31Å; F11-I44 HydrophobicContact CZ-CD1 4.44Å; F11-I44 HydrophobicContact CZ-CG1 4.33Å; S13-I44 WeakPolarHBondContact OG-CG2 3.35Å; F37-I44 HydrophobicContact CD2-CD1 3.72Å; F37-I44 HydrophobicContact CE2-CD1 3.79Å; V40-I44 HydrophobicContact CB-CD1 4.11Å; V40-I44 HydrophobicContact CB-CG1 4.37Å; V40-I44 HydrophobicContact CG1-CD1 3.88Å; V40-I44 HydrophobicContact CG1-CG1 3.68Å; V40-I44 WeakPolarHBondContact O-CG1 3.22Å; V40-I44 PolarHBondContact O-N 2.73Å; Q41-I44 PolarHBondContact O-N 2.73Å; I44-N84 WeakPolarHBondContact CA-ND2 3.3Å; I44-N84 HydrophobicContact CG2-CB 4.23Å; I44-N84 WeakPolarHBondContact O-CB 3.26Å; I44-N84 PolarHBondContact O-ND2 3.18Å
45I59.3Low61.3Low36 Ų3676.3 Ų76.319%0.18538%0.384CS..THydrogen-bonded Turntrans-129.680.8176.3-50.9-170.3000108.5F15 P21 Q41 Y43 L82F15-I45 HydrophobicContact CB-CD1 3.85Å; F15-I45 HydrophobicContact CD2-CD1 3.65Å; F15-I45 HydrophobicContact CD2-CG2 4.04Å; F15-I45 HydrophobicContact CG-CD1 4.24Å; P21-I45 HydrophobicContact CB-CD1 3.38Å; P21-I45 HydrophobicContact CB-CG1 4.05Å; P21-I45 HydrophobicContact CG-CD1 3.87Å; P21-I45 HydrophobicContact CG-CG1 4.44Å; Q41-I45 PolarHBondContact O-N 3.24Å; Y43-I45 VanDerWaalsContact C-N 3.25Å; Y43-I45 PolarHBondContact O-N 2.99Å; I45-L82 HydrophobicContact CG2-CD1 4.48Å
46T54.3Low62Low18 Ų1872.3 Ų72.311%0.1137%0.369CS..  trans-68.5159.1178.2500000111.9Y43 L50 I55Y43-T46 WeakPolarHBondContact O-CG2 3.34Å; T46-L50 HydrophobicContact CG2-CB 4.29Å; T46-L50 HydrophobicContact CG2-CD1 4.29Å; T46-I55 HydrophobicContact CG2-CG2 4.37Å
47K57.1Low62.4Low162 Ų16273.3 Ų73.370%0.70438%0.375SS*.  trans-54.5151168.4-71.6-177.4179.3-179.90110.5E49 L50K47-E49 PolarHBondContact O-N 3.11Å; K47-L50 PolarHBondContact O-N 3.38Å
48P55.9Low62.9Low103 Ų10376.8 Ų76.867%0.66940%0.399SS*.G310 helixtrans-53.6-22.2-177.317.6-31.5000114.8L50 Q51P48-L50 VanDerWaalsContact C-N 3.29Å; P48-L50 PolarHBondContact O-N 2.94Å; P48-Q51 VanDerWaalsContact O-CB 3.25Å; P48-Q51 WeakPolarHBondContact O-CB 3.42Å; P48-Q51 PolarHBondContact O-N 3.44Å
49E55.8Low63.1Low168 Ų16872.6 Ų72.679%0.78538%0.379SS*.G310 helixtrans-67.7-21.1176.2-64.2174.6-179.600114.9K47K47-E49 PolarHBondContact O-N 3.11Å
50L59.8Low63Low86 Ų8674.4 Ų74.445%0.4538%0.382SS..G310 helixtrans-108.814.9179.8-68.7172.3000112.5T46 K47 P48T46-L50 HydrophobicContact CG2-CB 4.29Å; T46-L50 HydrophobicContact CG2-CD1 4.29Å; K47-L50 PolarHBondContact O-N 3.38Å; P48-L50 VanDerWaalsContact C-N 3.29Å; P48-L50 PolarHBondContact O-N 2.94Å
51Q60.9Low63.3Low38 Ų3882.2 Ų82.218%0.17842%0.418CS..THydrogen-bonded Turntrans-78.2147.2-176.5-160.4151.532.600112P48 K53 C70P48-Q51 VanDerWaalsContact O-CB 3.25Å; P48-Q51 WeakPolarHBondContact O-CB 3.42Å; P48-Q51 PolarHBondContact O-N 3.44Å; Q51-K53 PolarHBondContact O-N 2.94Å; Q51-K53 VanDerWaalsContact O-N 3.11Å; Q51-C70 HydrophobicContact CG-CB 3.88Å; Q51-C70 PolarHBondContact NE2-SG 3.13Å; Q51-C70 PolarHBondContact OE1-SG 2.59Å; Q51-C70 VanDerWaalsContact OE1-SG 3.4Å
52N64.5Low63.8Low113 Ų11381.8 Ų81.860%0.60442%0.416SS*.THydrogen-bonded Turntrans61.113.2-174-152.211.4000114.4P68N52-P68 PolarHBondContact N-O 3.49Å
53K66.8Low64.5Low126 Ų12678.6 Ų78.655%0.54839%0.393SS..SBendtrans-101.1140.1167.8-71.5-177.3178.81700109.2Q51 I55Q51-K53 PolarHBondContact O-N 2.94Å; Q51-K53 VanDerWaalsContact O-N 3.11Å; K53-I55 PolarHBondContact O-N 3.02Å
54L71Confident65.4Low55 Ų5573.2 Ų73.229%0.28837%0.372SS..  trans-66.5127170.5-177.782.8000108.8I65 C67 E99 V102L54-I65 HydrophobicContact CD1-CG2 3.5Å; L54-I65 HydrophobicContact CG-CG2 4.25Å; L54-C67 WeakPolarHBondContact CD1-SG 3.32Å; L54-E99 HydrophobicContact CD2-CB 3.41Å; L54-E99 VanDerWaalsContact CD2-CB 3.41Å; L54-E99 HydrophobicContact CD2-CG 3.5Å; L54-V102 HydrophobicContact CD1-CB 4.3Å
55I74Confident66.3Low25 Ų2573 Ų7313%0.12837%0.371CS..EExtended strand (participates in β ladder)trans-107.5133.8173.251.1170.4000108.2Y43 T46 K53 I65 G66 P68Y43-I55 WeakPolarHBondContact O-CD1 3.25Å; T46-I55 HydrophobicContact CG2-CG2 4.37Å; K53-I55 PolarHBondContact O-N 3.02Å; I55-I65 WeakPolarHBondContact O-CA 3.3Å; I55-G66 WeakPolarHBondContact CG1-O 3.44Å; I55-G66 PolarHBondContact N-O 3.47Å; I55-G66 PolarHBondContact O-N 3.35Å; I55-P68 HydrophobicContact CD1-CG 4.29Å
56T72.8Confident67.1Low55 Ų5571.4 Ų71.434%0.33736%0.364SS..EExtended strand (participates in β ladder)trans-129.7114.3177.3-640000107.5K63 L64 I65T56-K63 HydrophobicContact CG2-CD 4.15Å; T56-K63 HydrophobicContact CG2-CG 4.03Å; T56-L64 CarbonylContact C-O 3.42Å; T56-L64 WeakPolarHBondContact CA-O 3.45Å; T56-I65 HydrophobicContact CG2-CG1 4.47Å
57V72.2Confident67.9Low28 Ų2870.8 Ų70.817%0.1736%0.361CS..EExtended strand (participates in β ladder)trans-122.1127.9-175.3-178.10000108.3Y43 L64Y43-V57 HydrophobicContact CD1-CG2 3.86Å; Y43-V57 HydrophobicContact CD2-CG2 4.47Å; Y43-V57 HydrophobicContact CG-CG2 3.83Å; V57-L64 PolarHBondContact N-O 3.38Å; V57-L64 PolarHBondContact O-N 3.16Å
58T72Confident68.6Low102 Ų10263.4 Ų63.463%0.62633%0.329SS*.EExtended strand (participates in β ladder)trans-97.1117170.449.30000108.8K62 K63T58-K62 CarbonylContact C-O 3.54Å; T58-K62 WeakPolarHBondContact CA-O 3.37Å; T58-K63 HydrophobicContact CG2-CB 4.2Å; T58-K63 HydrophobicContact CG2-CD 3.84Å; T58-K63 HydrophobicContact CG2-CG 3.82Å
59A67.2Low69.3Low15 Ų1558.8 Ų58.812%0.12430%0.299CS..EExtended strand (participates in β ladder)trans-136.9132178.600000109.8L36 V40 E61 K62L36-A59 HydrophobicContact CD1-CB 4.02Å; V40-A59 HydrophobicContact CG2-CB 4.14Å; A59-E61 PolarHBondContact O-N 3.09Å; A59-K62 PolarHBondContact N-O 2.91Å; A59-K62 CarbonylContact O-C 3.5Å; A59-K62 WeakPolarHBondContact O-CA 3.46Å; A59-K62 PolarHBondContact O-N 3.36Å
60M58.8Low69.8Low131 Ų13152.5 Ų52.565%0.64527%0.273SS*.THydrogen-bonded Turntrans46.654.4175.5-56.8-176.476.900114.2L36 K62L36-M60 HydrophobicContact CD1-CB 3.93Å; L36-M60 HydrophobicContact CD1-CG 3.92Å; L36-M60 HydrophobicContact CD1-SD 3.78Å; M60-K62 PolarHBondContact O-N 2.96Å
61E69.2Low70.2Confident169 Ų16948.8 Ų48.879%0.7925%0.254SS*.THydrogen-bonded Turntrans58.916.9-178.8-55.3-173.3154.500114.8A59 A91A59-E61 PolarHBondContact O-N 3.09Å; E61-A91 HydrophobicContact CB-CB 4.44Å; E61-A91 WeakPolarHBondContact O-CB 3.29Å; E61-A91 PolarHBondContact O-N 3.24Å
62K71.6Confident70.2Confident52 Ų5254.4 Ų54.423%0.22628%0.28CS..EExtended strand (participates in β ladder)trans-120147.4169.5-67.4-179176175.50110.3F31 T58 A59 M60 L64 V88F31-K62 HydrophobicContact CE1-CD 4.32Å; F31-K62 VanDerWaalsContact CZ-NZ 3.32Å; T58-K62 CarbonylContact C-O 3.54Å; T58-K62 WeakPolarHBondContact CA-O 3.37Å; A59-K62 PolarHBondContact N-O 2.91Å; A59-K62 CarbonylContact O-C 3.5Å; A59-K62 WeakPolarHBondContact O-CA 3.46Å; A59-K62 PolarHBondContact O-N 3.36Å; M60-K62 PolarHBondContact O-N 2.96Å; K62-L64 HydrophobicContact CB-CD1 4.26Å; K62-V88 HydrophobicContact CB-CG1 4.23Å; K62-V88 HydrophobicContact CD-CG1 4.07Å
63K75.7Confident70Confident40 Ų4052.6 Ų52.617%0.17427%0.268CS..EExtended strand (participates in β ladder)trans-111.2114.6175.4-168.6161.7174.9-174.70109.1T56 T58 C89 T95T56-K63 HydrophobicContact CG2-CD 4.15Å; T56-K63 HydrophobicContact CG2-CG 4.03Å; T58-K63 HydrophobicContact CG2-CB 4.2Å; T58-K63 HydrophobicContact CG2-CD 3.84Å; T58-K63 HydrophobicContact CG2-CG 3.82Å; K63-C89 PolarHBondContact N-O 3.11Å; K63-C89 PolarHBondContact O-N 2.76Å; K63-T95 HydrophobicContact CB-CG2 4.16Å; K63-T95 HydrophobicContact CD-CG2 3.7Å; K63-T95 WeakPolarHBondContact CD-OG1 3.24Å; K63-T95 WeakPolarHBondContact CE-OG1 3.1Å; K63-T95 HydrophobicContact CG-CG2 3.95Å; K63-T95 PolarHBondContact NZ-OG1 3.3Å
64L75.2Confident69.5Low9 Ų955.8 Ų55.85%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-97.2126.4177.4-71.380.3000108.7F11 L36 V40 T56 V57 K62 F87 V88F11-L64 HydrophobicContact CE1-CD2 4.18Å; F11-L64 HydrophobicContact CZ-CD2 4.38Å; L36-L64 HydrophobicContact CD2-CD1 4.38Å; V40-L64 HydrophobicContact CB-CD2 4.34Å; V40-L64 HydrophobicContact CG1-CD2 3.69Å; V40-L64 HydrophobicContact CG2-CD2 4.16Å; T56-L64 CarbonylContact C-O 3.42Å; T56-L64 WeakPolarHBondContact CA-O 3.45Å; V57-L64 PolarHBondContact N-O 3.38Å; V57-L64 PolarHBondContact O-N 3.16Å; K62-L64 HydrophobicContact CB-CD1 4.26Å; L64-F87 WeakPolarHBondContact CA-O 3.4Å; L64-V88 HydrophobicContact CG-CG2 4.26Å
65I78.3Confident68.8Low1 Ų160.6 Ų60.61%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-114.1123.9174.6-52.7173.2000106.5L54 I55 T56 G86 F87 T95 L98 V102L54-I65 HydrophobicContact CD1-CG2 3.5Å; L54-I65 HydrophobicContact CG-CG2 4.25Å; I55-I65 WeakPolarHBondContact O-CA 3.3Å; T56-I65 HydrophobicContact CG2-CG1 4.47Å; I65-G86 CarbonylContact O-C 3.6Å; I65-G86 WeakPolarHBondContact O-CA 3.39Å; I65-F87 PolarHBondContact N-O 2.79Å; I65-F87 PolarHBondContact O-N 3.22Å; I65-T95 HydrophobicContact CD1-CG2 3.76Å; I65-T95 HydrophobicContact CG1-CG2 4.37Å; I65-L98 HydrophobicContact CD1-CB 3.88Å; I65-L98 HydrophobicContact CD1-CD1 4.29Å; I65-V102 HydrophobicContact CB-CG2 4.44Å; I65-V102 HydrophobicContact CG2-CB 4.39Å; I65-V102 HydrophobicContact CG2-CG2 3.82Å
66G75.1Confident68.1Low4 Ų461 Ų614%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-134.7154.6179.400000112.2I55I55-G66 WeakPolarHBondContact CG1-O 3.44Å; I55-G66 PolarHBondContact N-O 3.47Å; I55-G66 PolarHBondContact O-N 3.35Å
67C71.8Confident66.9Low5 Ų563.7 Ų63.73%0.03432%0.322CS..EExtended strand (participates in β ladder)trans-127.797.6168.2-78.20000108.9L54 V69 N84 L85 V102 A106L54-C67 WeakPolarHBondContact CD1-SG 3.32Å; C67-V69 PolarHBondContact O-N 3.41Å; C67-N84 PolarHBondContact N-OD1 3.48Å; C67-N84 VanDerWaalsContact N-OD1 3.09Å; C67-N84 PolarHBondContact O-OD1 2.88Å; C67-L85 PolarHBondContact N-O 2.99Å; C67-V102 HydrophobicContact CB-CG1 3.96Å; C67-A106 HydrophobicContact CB-CB 3.81Å
68P71.5Confident65.9Low6 Ų671 Ų714%0.03935%0.346CS..EExtended strand (participates in β ladder)trans-70.8122.9172.227.9-32.5000109.9N52 I55 N84N52-P68 PolarHBondContact N-O 3.49Å; I55-P68 HydrophobicContact CD1-CG 4.29Å; P68-N84 HydrophobicContact CB-CB 4.45Å
69V70.2Confident65.3Low7 Ų771 Ų714%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-107.5134.4179.4-1800000109.4C67 I71 F83 A106 T110C67-V69 PolarHBondContact O-N 3.41Å; V69-I71 HydrophobicContact CG1-CG1 4.06Å; V69-F83 HydrophobicContact CB-CD1 4.27Å; V69-F83 HydrophobicContact CB-CD2 4.38Å; V69-F83 HydrophobicContact CB-CE1 3.84Å; V69-F83 HydrophobicContact CB-CE2 3.94Å; V69-F83 HydrophobicContact CB-CZ 3.67Å; V69-F83 HydrophobicContact CG1-CE1 3.71Å; V69-F83 HydrophobicContact CG1-CE2 4.41Å; V69-F83 HydrophobicContact CG1-CZ 3.66Å; V69-F83 HydrophobicContact CG2-CE2 4.03Å; V69-F83 HydrophobicContact CG2-CZ 4.06Å; V69-F83 PolarHBondContact N-O 3.21Å; V69-F83 PolarHBondContact O-N 2.92Å; V69-A106 HydrophobicContact CG2-CB 3.63Å; V69-T110 WeakPolarHBondContact CG1-OG1 3.45Å
70C67.5Low65.1Low35 Ų3572 Ų7224%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-98.1137.1162.8-139.20000108.3Q51 L82Q51-C70 HydrophobicContact CG-CB 3.88Å; Q51-C70 PolarHBondContact NE2-SG 3.13Å; Q51-C70 PolarHBondContact OE1-SG 2.59Å; Q51-C70 VanDerWaalsContact OE1-SG 3.4Å; C70-L82 HydrophobicContact CB-CD2 4.32Å; C70-L82 WeakPolarHBondContact SG-CD2 3.37Å
71I68.2Low65.6Low8 Ų866.5 Ų66.54%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-122.9107.8157.2-57.6-178.5000107.4V69 H73 Y76 A80 L81 F83 T110 E113 L114V69-I71 HydrophobicContact CG1-CG1 4.06Å; I71-H73 PolarHBondContact O-N 3.25Å; I71-Y76 HydrophobicContact CG2-CE2 4.26Å; I71-A80 CarbonylContact O-C 3.58Å; I71-A80 WeakPolarHBondContact O-CA 3.26Å; I71-L81 PolarHBondContact N-O 2.85Å; I71-L81 PolarHBondContact O-N 3.24Å; I71-F83 HydrophobicContact CD1-CE1 3.7Å; I71-F83 HydrophobicContact CD1-CZ 4.35Å; I71-F83 HydrophobicContact CG1-CE1 4.08Å; I71-T110 HydrophobicContact CD1-CG2 3.92Å; I71-T110 HydrophobicContact CG1-CG2 4.14Å; I71-E113 HydrophobicContact CD1-CB 3.63Å; I71-E113 HydrophobicContact CD1-CG 3.74Å; I71-L114 HydrophobicContact CG2-CD2 4.22Å
72E61.4Low65.7Low156 Ų15660.7 Ų60.773%0.72930%0.298SS*.EExtended strand (participates in β ladder)trans-82.9112.4173.1-63.4-174.6178.300109.1N79 A80E72-N79 CarbonylContact C-O 3.45Å; E72-N79 VanDerWaalsContact CA-O 3.24Å; E72-N79 WeakPolarHBondContact CA-O 3.17Å; E72-A80 HydrophobicContact CG-CB 4.1Å
73H60.5Low65.8Low75 Ų7558.5 Ų58.535%0.34729%0.288SS..  trans-148.5138.9176-159.1-88.9000111.2I71 K75 Y76 N79I71-H73 PolarHBondContact O-N 3.25Å; H73-K75 VanDerWaalsContact CE1-CG 3.48Å; H73-K75 WeakPolarHBondContact CE1-CG 3.45Å; H73-K75 WeakPolarHBondContact ND1-CB 3.48Å; H73-K75 VanDerWaalsContact ND1-CG 3.34Å; H73-K75 WeakPolarHBondContact ND1-CG 3.3Å; H73-K75 PolarHBondContact ND1-N 3.11Å; H73-K75 PolarHBondContact O-N 3.42Å; H73-Y76 HydrophobicContact CB-CD2 3.64Å; H73-Y76 HydrophobicContact CB-CE2 3.49Å; H73-Y76 VanDerWaalsContact CB-CE2 3.49Å; H73-Y76 WeakPolarHBondContact O-CD2 3.47Å; H73-Y76 PolarHBondContact O-N 3.4Å; H73-Y76 VanDerWaalsContact O-N 3.13Å; H73-N79 PolarHBondContact N-O 3.44Å; H73-N79 CarbonylContact O-C 3.5Å; H73-N79 WeakPolarHBondContact O-CA 3.44Å
74K55.5Low65.8Low193 Ų19356.7 Ų56.784%0.83928%0.28SS*.THydrogen-bonded Turntrans-65.6-5.9-179.8-65.3-176.9179.4179.40114.6Y76K74-Y76 VanDerWaalsContact C-N 3.34Å
75K56.2Low65.9Low157 Ų15756.7 Ų56.768%0.68328%0.28SS*.THydrogen-bonded Turntrans-79.4-18.4175-75.8176179.3-179.80112.3H73H73-K75 VanDerWaalsContact CE1-CG 3.48Å; H73-K75 WeakPolarHBondContact CE1-CG 3.45Å; H73-K75 WeakPolarHBondContact ND1-CB 3.48Å; H73-K75 VanDerWaalsContact ND1-CG 3.34Å; H73-K75 WeakPolarHBondContact ND1-CG 3.3Å; H73-K75 PolarHBondContact ND1-N 3.11Å; H73-K75 PolarHBondContact O-N 3.42Å
76Y60Low65.9Low32 Ų3256.6 Ų56.613%0.12528%0.28CS..SBendtrans-93146.8-177.7-56.2-62.6000111.5I71 H73 K74 R78 N79 L81 E113 S120I71-Y76 HydrophobicContact CG2-CE2 4.26Å; H73-Y76 HydrophobicContact CB-CD2 3.64Å; H73-Y76 HydrophobicContact CB-CE2 3.49Å; H73-Y76 VanDerWaalsContact CB-CE2 3.49Å; H73-Y76 WeakPolarHBondContact O-CD2 3.47Å; H73-Y76 PolarHBondContact O-N 3.4Å; H73-Y76 VanDerWaalsContact O-N 3.13Å; K74-Y76 VanDerWaalsContact C-N 3.34Å; Y76-R78 PolarHBondContact O-N 3.16Å; Y76-N79 PolarHBondContact O-N 3.45Å; Y76-L81 HydrophobicContact CD1-CB 4.05Å; Y76-L81 HydrophobicContact CD1-CD1 3.71Å; Y76-L81 HydrophobicContact CD1-CG 4.47Å; Y76-L81 HydrophobicContact CD2-CB 3.78Å; Y76-L81 HydrophobicContact CE1-CB 4.12Å; Y76-L81 HydrophobicContact CE1-CD1 3.36Å; Y76-L81 HydrophobicContact CE1-CG 4.36Å; Y76-L81 HydrophobicContact CE2-CB 3.85Å; Y76-L81 HydrophobicContact CG-CB 3.9Å; Y76-L81 HydrophobicContact CG-CD1 4.43Å; Y76-E113 VanDerWaalsContact OH-CD 3.23Å; Y76-E113 WeakPolarHBondContact OH-CG 3.32Å; Y76-E113 PolarHBondContact OH-OE1 3.29Å; Y76-S120 WeakPolarHBondContact CE1-OG 3.37Å
77S45.9Very low66.2Low113 Ų11356.5 Ų56.579%0.7928%0.278SS*.THydrogen-bonded Turntrans-61.40.2-17518.80000115.3
78R52.2Low66.5Low182 Ų18256.2 Ų56.269%0.68728%0.277SS*.THydrogen-bonded Turntrans-140.319.2170.6-108.5-172.1-179.3-174.72.3114.8Y76 A80Y76-R78 PolarHBondContact O-N 3.16Å; R78-A80 PolarHBondContact O-N 3.31Å; R78-A80 VanDerWaalsContact O-N 3.12Å
79N59.1Low66.7Low102 Ų10256 Ų5655%0.54528%0.275SS..SBendtrans62.42.5-171.7-61.2-34.4000115.6E72 H73 Y76E72-N79 CarbonylContact C-O 3.45Å; E72-N79 VanDerWaalsContact CA-O 3.24Å; E72-N79 WeakPolarHBondContact CA-O 3.17Å; H73-N79 PolarHBondContact N-O 3.44Å; H73-N79 CarbonylContact O-C 3.5Å; H73-N79 WeakPolarHBondContact O-CA 3.44Å; Y76-N79 PolarHBondContact O-N 3.45Å
80A63.1Low67.1Low36 Ų3659.2 Ų59.230%0.29829%0.292SS..EExtended strand (participates in β ladder)trans-149135.917600000111.6I71 E72 R78I71-A80 CarbonylContact O-C 3.58Å; I71-A80 WeakPolarHBondContact O-CA 3.26Å; E72-A80 HydrophobicContact CG-CB 4.1Å; R78-A80 PolarHBondContact O-N 3.31Å; R78-A80 VanDerWaalsContact O-N 3.12Å
81L68.6Low66.8Low15 Ų1559.5 Ų59.58%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-105.8124.4169.3-169.6152.3000108.1I71 Y76 F83 V119I71-L81 PolarHBondContact N-O 2.85Å; I71-L81 PolarHBondContact O-N 3.24Å; Y76-L81 HydrophobicContact CD1-CB 4.05Å; Y76-L81 HydrophobicContact CD1-CD1 3.71Å; Y76-L81 HydrophobicContact CD1-CG 4.47Å; Y76-L81 HydrophobicContact CD2-CB 3.78Å; Y76-L81 HydrophobicContact CE1-CB 4.12Å; Y76-L81 HydrophobicContact CE1-CD1 3.36Å; Y76-L81 HydrophobicContact CE1-CG 4.36Å; Y76-L81 HydrophobicContact CE2-CB 3.85Å; Y76-L81 HydrophobicContact CG-CB 3.9Å; Y76-L81 HydrophobicContact CG-CD1 4.43Å; L81-F83 HydrophobicContact CD2-CB 4.16Å; L81-F83 HydrophobicContact CD2-CD1 3.42Å; L81-F83 VanDerWaalsContact CD2-CD1 3.42Å; L81-F83 HydrophobicContact CD2-CE1 4.24Å; L81-F83 HydrophobicContact CD2-CG 4.22Å; L81-V119 HydrophobicContact CD1-CG1 4.37Å; L81-V119 HydrophobicContact CD2-CG1 4.25Å
82L71.6Confident66.4Low47 Ų4768 Ų6825%0.24634%0.337CS..EExtended strand (participates in β ladder)trans-112.5117.1179.8-60.2168.4000108.1F15 I45 C70F15-L82 HydrophobicContact CB-CB 3.78Å; F15-L82 HydrophobicContact CB-CD1 4.26Å; F15-L82 HydrophobicContact CD1-CD1 4.24Å; F15-L82 HydrophobicContact CG-CD1 4.22Å; F15-L82 PolarHBondContact N-O 3.03Å; I45-L82 HydrophobicContact CG2-CD1 4.48Å; C70-L82 HydrophobicContact CB-CD2 4.32Å; C70-L82 WeakPolarHBondContact SG-CD2 3.37Å
83F74.9Confident66.6Low5 Ų561.5 Ų61.52%0.02231%0.309CS..EExtended strand (participates in β ladder)trans-133.5155.7173.269.3-86.2000110.5F12 S13 V69 I71 L81 L109F12-F83 HydrophobicContact CE2-CB 4.1Å; F12-F83 AromaticContact CE2-CD2 3.6Å; F12-F83 HydrophobicContact CE2-CD2 3.6Å; F12-F83 HydrophobicContact CE2-CE2 4.39Å; F12-F83 HydrophobicContact CE2-CG 4.15Å; F12-F83 HydrophobicContact CZ-CB 3.85Å; F12-F83 HydrophobicContact CZ-CD2 4.09Å; F12-F83 HydrophobicContact CZ-CG 4.19Å; S13-F83 CarbonylContact O-C 3.44Å; S13-F83 VanDerWaalsContact O-CA 3.32Å; S13-F83 WeakPolarHBondContact O-CA 3.36Å; V69-F83 HydrophobicContact CB-CD1 4.27Å; V69-F83 HydrophobicContact CB-CD2 4.38Å; V69-F83 HydrophobicContact CB-CE1 3.84Å; V69-F83 HydrophobicContact CB-CE2 3.94Å; V69-F83 HydrophobicContact CB-CZ 3.67Å; V69-F83 HydrophobicContact CG1-CE1 3.71Å; V69-F83 HydrophobicContact CG1-CE2 4.41Å; V69-F83 HydrophobicContact CG1-CZ 3.66Å; V69-F83 HydrophobicContact CG2-CE2 4.03Å; V69-F83 HydrophobicContact CG2-CZ 4.06Å; V69-F83 PolarHBondContact N-O 3.21Å; V69-F83 PolarHBondContact O-N 2.92Å; I71-F83 HydrophobicContact CD1-CE1 3.7Å; I71-F83 HydrophobicContact CD1-CZ 4.35Å; I71-F83 HydrophobicContact CG1-CE1 4.08Å; L81-F83 HydrophobicContact CD2-CB 4.16Å; L81-F83 HydrophobicContact CD2-CD1 3.42Å; L81-F83 VanDerWaalsContact CD2-CD1 3.42Å; L81-F83 HydrophobicContact CD2-CE1 4.24Å; L81-F83 HydrophobicContact CD2-CG 4.22Å; F83-L109 HydrophobicContact CE2-CB 3.82Å; F83-L109 HydrophobicContact CE2-CD1 4Å; F83-L109 HydrophobicContact CZ-CB 3.94Å
84N75.9Confident66.8Low2 Ų264 Ų641%0.01132%0.319CS..EExtended strand (participates in β ladder)trans-135.6128.7177-175.17.5000109.1S13 I44 C67 P68S13-N84 PolarHBondContact N-O 3.48Å; S13-N84 PolarHBondContact O-N 3.39Å; I44-N84 WeakPolarHBondContact CA-ND2 3.3Å; I44-N84 HydrophobicContact CG2-CB 4.23Å; I44-N84 WeakPolarHBondContact O-CB 3.26Å; I44-N84 PolarHBondContact O-ND2 3.18Å; C67-N84 PolarHBondContact N-OD1 3.48Å; C67-N84 VanDerWaalsContact N-OD1 3.09Å; C67-N84 PolarHBondContact O-OD1 2.88Å; P68-N84 HydrophobicContact CB-CB 4.45Å
85L76.7Confident67.3Low9 Ų955 Ų555%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-105.2124.7168.4-171.2149.1000108.2I10 F12 C67 F87 V102 L105 L109I10-L85 HydrophobicContact CG2-CD2 4.31Å; F12-L85 HydrophobicContact CD2-CB 4.36Å; F12-L85 HydrophobicContact CD2-CD1 4.47Å; C67-L85 PolarHBondContact N-O 2.99Å; L85-F87 HydrophobicContact CD2-CD2 3.83Å; L85-F87 HydrophobicContact CD2-CE2 3.36Å; L85-F87 HydrophobicContact CD2-CZ 4.35Å; L85-V102 HydrophobicContact CD2-CG1 4.45Å; L85-L105 HydrophobicContact CD2-CD1 4.4Å; L85-L109 HydrophobicContact CB-CD1 4.32Å; L85-L109 HydrophobicContact CD1-CD1 3.52Å
86G78.9Confident67.8Low0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-126.3145.2-176.600000113.3I10 F11 I65I10-G86 WeakPolarHBondContact CA-O 3.05Å; F11-G86 WeakPolarHBondContact CD1-O 3.45Å; F11-G86 PolarHBondContact N-O 2.85Å; F11-G86 PolarHBondContact O-N 3.38Å; I65-G86 CarbonylContact O-C 3.6Å; I65-G86 WeakPolarHBondContact O-CA 3.39Å
87F81.3Confident68.4Low1 Ų148 Ų480%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-108.1137171.2-75.7-107.1000109I7 I10 L64 I65 L85 V102 L105 L139I7-F87 HydrophobicContact CD1-CD1 3.91Å; I7-F87 HydrophobicContact CD1-CE1 3.95Å; I7-F87 HydrophobicContact CG1-CD1 4.32Å; I7-F87 HydrophobicContact CG2-CD1 3.77Å; I7-F87 HydrophobicContact CG2-CE1 4.42Å; I10-F87 HydrophobicContact CD1-CD1 4.17Å; I10-F87 HydrophobicContact CD1-CE1 3.51Å; I10-F87 HydrophobicContact CD1-CZ 3.94Å; I10-F87 HydrophobicContact CG1-CD1 3.87Å; I10-F87 HydrophobicContact CG1-CE1 3.73Å; I10-F87 HydrophobicContact CG1-CZ 4.32Å; I10-F87 HydrophobicContact CG2-CE1 4.48Å; I10-F87 HydrophobicContact CG2-CE2 4.35Å; I10-F87 HydrophobicContact CG2-CZ 4.31Å; L64-F87 WeakPolarHBondContact CA-O 3.4Å; I65-F87 PolarHBondContact N-O 2.79Å; I65-F87 PolarHBondContact O-N 3.22Å; L85-F87 HydrophobicContact CD2-CD2 3.83Å; L85-F87 HydrophobicContact CD2-CE2 3.36Å; L85-F87 HydrophobicContact CD2-CZ 4.35Å; F87-V102 HydrophobicContact CB-CG2 4.4Å; F87-V102 HydrophobicContact CD2-CB 4.29Å; F87-V102 HydrophobicContact CD2-CG1 4.21Å; F87-V102 HydrophobicContact CD2-CG2 3.35Å; F87-V102 HydrophobicContact CE2-CB 4.47Å; F87-V102 HydrophobicContact CE2-CG1 4.5Å; F87-V102 HydrophobicContact CE2-CG2 3.8Å; F87-V102 HydrophobicContact CG-CG2 4.04Å; F87-L105 HydrophobicContact CE2-CD1 3.74Å; F87-L105 HydrophobicContact CZ-CD1 3.61Å; F87-L139 HydrophobicContact CE1-CD1 3.92Å; F87-L139 HydrophobicContact CZ-CD1 4.39Å
88V77.4Confident69.7Low0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-109.4125.1173.2-1710000108.1E8 C9 F11 I32 K62 L64E8-V88 PolarHBondContact N-O 2.81Å; C9-V88 HydrophobicContact CB-CB 4Å; C9-V88 HydrophobicContact CB-CG2 4.08Å; C9-V88 PolarHBondContact N-O 2.97Å; C9-V88 PolarHBondContact O-N 3.39Å; F11-V88 HydrophobicContact CD1-CG2 3.75Å; F11-V88 HydrophobicContact CE1-CG2 3.85Å; I32-V88 HydrophobicContact CD1-CG2 4.19Å; K62-V88 HydrophobicContact CB-CG1 4.23Å; K62-V88 HydrophobicContact CD-CG1 4.07Å; L64-V88 HydrophobicContact CG-CG2 4.26Å
89C76.6Confident70.9Confident0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans-128.4161.1176.5-65.60000109.8K63 T95 L98K63-C89 PolarHBondContact N-O 3.11Å; K63-C89 PolarHBondContact O-N 2.76Å; C89-T95 HydrophobicContact CB-CG2 3.81Å; C89-L98 WeakPolarHBondContact SG-CD1 3.41Å
90D77.3Confident72Confident76 Ų7635.3 Ų35.341%0.40620%0.195SC..EExtended strand (participates in β ladder)trans-60.8144.9172.2-171.68000111.2Q92 A93D90-Q92 PolarHBondContact O-N 3.35Å; D90-A93 HydrophobicContact CB-CB 4.38Å; D90-A93 WeakPolarHBondContact O-CB 3.37Å; D90-A93 PolarHBondContact O-N 3.4Å; D90-A93 VanDerWaalsContact O-N 3.09Å
91A62.3Low72.9Confident40 Ų4034 Ų3433%0.33118%0.183SC..THydrogen-bonded Turntrans-61.7-28.5-175.100000113.9E61E61-A91 HydrophobicContact CB-CB 4.44Å; E61-A91 WeakPolarHBondContact O-CB 3.29Å; E61-A91 PolarHBondContact O-N 3.24Å
92Q60.3Low73.5Confident188 Ų18833.3 Ų33.388%0.87918%0.179SC*.THydrogen-bonded Turntrans-88.2-6.1179.3-60.5-157.1-5.200113.5D90D90-Q92 PolarHBondContact O-N 3.35Å
93A64.5Low74Confident19 Ų1937 Ų3716%0.15719%0.193CC..SBendtrans-74.3145.6-177.300000112.7D90 T95D90-A93 HydrophobicContact CB-CB 4.38Å; D90-A93 WeakPolarHBondContact O-CB 3.37Å; D90-A93 PolarHBondContact O-N 3.4Å; D90-A93 VanDerWaalsContact O-N 3.09Å; A93-T95 VanDerWaalsContact C-N 3.31Å; A93-T95 PolarHBondContact O-N 3.4Å; A93-T95 PolarHBondContact O-OG1 3.48Å
94K64.3Low74.5Confident128 Ų12841.4 Ų41.456%0.55721%0.212SC*.  trans-74.387175.9-166.975.7178.7-175.70109.9G4 C5 C96G4-K94 PolarHBondContact O-N 3.13Å; G4-K94 VanDerWaalsContact O-N 3.15Å; C5-K94 PolarHBondContact SG-O 3.33Å; K94-C96 VanDerWaalsContact C-N 3.34Å; K94-C96 PolarHBondContact O-N 2.93Å
95T66.5Low74.7Confident3 Ų341.5 Ų41.52%0.01821%0.213CC..G310 helixtrans-76.4-15.1-176.433.80000114.5K63 I65 C89 A93 A97 L98K63-T95 HydrophobicContact CB-CG2 4.16Å; K63-T95 HydrophobicContact CD-CG2 3.7Å; K63-T95 WeakPolarHBondContact CD-OG1 3.24Å; K63-T95 WeakPolarHBondContact CE-OG1 3.1Å; K63-T95 HydrophobicContact CG-CG2 3.95Å; K63-T95 PolarHBondContact NZ-OG1 3.3Å; I65-T95 HydrophobicContact CD1-CG2 3.76Å; I65-T95 HydrophobicContact CG1-CG2 4.37Å; C89-T95 HydrophobicContact CB-CG2 3.81Å; A93-T95 VanDerWaalsContact C-N 3.31Å; A93-T95 PolarHBondContact O-N 3.4Å; A93-T95 PolarHBondContact O-OG1 3.48Å; T95-A97 PolarHBondContact O-N 3.42Å; T95-A97 VanDerWaalsContact O-N 3.12Å; T95-L98 PolarHBondContact O-N 2.96Å
96C66.8Low74.9Confident30 Ų3041.2 Ų41.220%0.20321%0.212CC..G310 helixtrans-60.3-24.8-179.8-50.20000113.3K94 L98K94-C96 VanDerWaalsContact C-N 3.34Å; K94-C96 PolarHBondContact O-N 2.93Å; C96-L98 VanDerWaalsContact C-N 3.34Å
97A71.8Confident75Confident11 Ų1142.9 Ų42.99%0.09123%0.229CC..G310 helixtrans-73.6-23.5176.600000113.6T95 V159 I160T95-A97 PolarHBondContact O-N 3.42Å; T95-A97 VanDerWaalsContact O-N 3.12Å; A97-V159 HydrophobicContact CB-CG1 4Å; A97-I160 VanDerWaalsContact CB-O 3.28Å; A97-I160 WeakPolarHBondContact CB-O 3.39Å
98L73.9Confident75Confident3 Ų345.3 Ų45.32%0.01624%0.238CC..THydrogen-bonded Turntrans-90.4-22.6-176.7-62.4178.9000112.7C5 I7 I65 C89 T95 C96 I101 V102C5-L98 WeakPolarHBondContact SG-CD1 3.46Å; I7-L98 HydrophobicContact CD1-CD1 4.35Å; I7-L98 HydrophobicContact CD1-CD2 3.96Å; I7-L98 HydrophobicContact CG1-CD1 3.9Å; I7-L98 HydrophobicContact CG1-CD2 4.32Å; I65-L98 HydrophobicContact CD1-CB 3.88Å; I65-L98 HydrophobicContact CD1-CD1 4.29Å; C89-L98 WeakPolarHBondContact SG-CD1 3.41Å; T95-L98 PolarHBondContact O-N 2.96Å; C96-L98 VanDerWaalsContact C-N 3.34Å; L98-I101 HydrophobicContact CD2-CD1 3.88Å; L98-I101 WeakPolarHBondContact O-CA 2.8Å; L98-I101 VanDerWaalsContact O-CB 3.3Å; L98-I101 WeakPolarHBondContact O-CB 3.44Å; L98-I101 PolarHBondContact O-N 3.47Å; L98-V102 WeakPolarHBondContact O-CG2 3.35Å; L98-V102 PolarHBondContact O-N 3.22Å
99E77.3Confident75.1Confident58 Ų5845.9 Ų45.927%0.27124%0.241SC..Hα-helixtrans-50.2-48.3-179.2-59.3-172.9-175.900113.7L54 I101 K103L54-E99 HydrophobicContact CD2-CB 3.41Å; L54-E99 VanDerWaalsContact CD2-CB 3.41Å; L54-E99 HydrophobicContact CD2-CG 3.5Å; E99-I101 VanDerWaalsContact C-N 3.28Å; E99-I101 PolarHBondContact O-N 2.8Å; E99-K103 PolarHBondContact O-N 3.36Å
100P81.8Confident75.2Confident71 Ų7147.6 Ų47.646%0.46125%0.252SS..Hα-helixtrans-70.3-27.4178.8-16.333.5000112.3K104P100-K104 VanDerWaalsContact O-CB 3.26Å; P100-K104 WeakPolarHBondContact O-CB 3.37Å; P100-K104 PolarHBondContact O-N 3.49Å
101I82.4Confident75.4Confident8 Ų846.7 Ų46.74%0.04125%0.249CC..Hα-helixtrans-69.4-48.5-179.9-53.5-179.2000109.5L98 E99 K103 K104 L105 L157 V159L98-I101 HydrophobicContact CD2-CD1 3.88Å; L98-I101 WeakPolarHBondContact O-CA 2.8Å; L98-I101 VanDerWaalsContact O-CB 3.3Å; L98-I101 WeakPolarHBondContact O-CB 3.44Å; L98-I101 PolarHBondContact O-N 3.47Å; E99-I101 VanDerWaalsContact C-N 3.28Å; E99-I101 PolarHBondContact O-N 2.8Å; I101-K103 VanDerWaalsContact C-N 3.3Å; I101-K103 PolarHBondContact O-N 3.21Å; I101-K104 PolarHBondContact O-N 3.47Å; I101-L105 HydrophobicContact CG2-CD1 4.22Å; I101-L105 WeakPolarHBondContact O-CB 3.47Å; I101-L105 WeakPolarHBondContact O-CG 3.36Å; I101-L105 PolarHBondContact O-N 3.48Å; I101-L157 HydrophobicContact CG2-CB 4.29Å; I101-L157 HydrophobicContact CG2-CD1 3.87Å; I101-L157 HydrophobicContact CG2-CD2 4.01Å; I101-L157 HydrophobicContact CG2-CG 4.26Å; I101-V159 HydrophobicContact CD1-CB 4.23Å; I101-V159 HydrophobicContact CD1-CG2 3.63Å
102V81.6Confident76.1Confident0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-60.5-43.6177.5-170.50000110.3L54 I65 C67 L85 F87 L98 K104 L105 A106L54-V102 HydrophobicContact CD1-CB 4.3Å; I65-V102 HydrophobicContact CB-CG2 4.44Å; I65-V102 HydrophobicContact CG2-CB 4.39Å; I65-V102 HydrophobicContact CG2-CG2 3.82Å; C67-V102 HydrophobicContact CB-CG1 3.96Å; L85-V102 HydrophobicContact CD2-CG1 4.45Å; F87-V102 HydrophobicContact CB-CG2 4.4Å; F87-V102 HydrophobicContact CD2-CB 4.29Å; F87-V102 HydrophobicContact CD2-CG1 4.21Å; F87-V102 HydrophobicContact CD2-CG2 3.35Å; F87-V102 HydrophobicContact CE2-CB 4.47Å; F87-V102 HydrophobicContact CE2-CG1 4.5Å; F87-V102 HydrophobicContact CE2-CG2 3.8Å; F87-V102 HydrophobicContact CG-CG2 4.04Å; L98-V102 WeakPolarHBondContact O-CG2 3.35Å; L98-V102 PolarHBondContact O-N 3.22Å; V102-K104 PolarHBondContact O-N 3.37Å; V102-L105 PolarHBondContact O-N 3.22Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.48Å
103K82.5Confident76.9Confident126 Ų12636.1 Ų36.155%0.54819%0.193SC..Hα-helixtrans-63.5-41.4177.1-170.4175.1-176.5178.50112.6E99 I101 A106 G107E99-K103 PolarHBondContact O-N 3.36Å; I101-K103 VanDerWaalsContact C-N 3.3Å; I101-K103 PolarHBondContact O-N 3.21Å; K103-A106 PolarHBondContact O-N 3.34Å; K103-G107 PolarHBondContact O-N 2.9Å
104K83.8Confident77.4Confident97 Ų9740.5 Ų40.542%0.42221%0.213SC..Hα-helixtrans-67.7-40.9177.9-162.6-176.1-175.9-168.90111.4P100 I101 V102 G107 Y108 H156 L157P100-K104 VanDerWaalsContact O-CB 3.26Å; P100-K104 WeakPolarHBondContact O-CB 3.37Å; P100-K104 PolarHBondContact O-N 3.49Å; I101-K104 PolarHBondContact O-N 3.47Å; V102-K104 PolarHBondContact O-N 3.37Å; K104-G107 PolarHBondContact O-N 2.86Å; K104-Y108 HydrophobicContact CD-CE2 3.84Å; K104-Y108 WeakPolarHBondContact CE-OH 3.32Å; K104-Y108 HydrophobicContact CG-CD2 4.03Å; K104-Y108 HydrophobicContact CG-CE2 3.63Å; K104-Y108 PolarHBondContact NZ-OH 2.91Å; K104-Y108 WeakPolarHBondContact O-CD2 3.47Å; K104-Y108 PolarHBondContact O-N 2.89Å; K104-H156 PolarHBondContact NZ-O 3.08Å; K104-L157 HydrophobicContact CD-CD2 4.33Å
105L81.1Confident78Confident3 Ų340.7 Ų40.72%0.01622%0.216CC..Hα-helixtrans-62.3-44.2174.1-81.2175.7000112.2L85 F87 I101 V102 G107 Y108 L109 L135 I155 L157L85-L105 HydrophobicContact CD2-CD1 4.4Å; F87-L105 HydrophobicContact CE2-CD1 3.74Å; F87-L105 HydrophobicContact CZ-CD1 3.61Å; I101-L105 HydrophobicContact CG2-CD1 4.22Å; I101-L105 WeakPolarHBondContact O-CB 3.47Å; I101-L105 WeakPolarHBondContact O-CG 3.36Å; I101-L105 PolarHBondContact O-N 3.48Å; V102-L105 PolarHBondContact O-N 3.22Å; L105-G107 VanDerWaalsContact C-N 3.27Å; L105-G107 PolarHBondContact O-N 3.42Å; L105-Y108 PolarHBondContact O-N 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.24Å; L105-L109 PolarHBondContact O-N 2.84Å; L105-L135 HydrophobicContact CD1-CD1 4.42Å; L105-L135 HydrophobicContact CD2-CD1 4.43Å; L105-I155 HydrophobicContact CD2-CD1 4.08Å; L105-I155 HydrophobicContact CD2-CG2 3.9Å; L105-L157 HydrophobicContact CD1-CD1 3.92Å; L105-L157 HydrophobicContact CD2-CD1 3.79Å; L105-L157 HydrophobicContact CD2-CD2 4.09Å; L105-L157 HydrophobicContact CD2-CG 4.44Å; L105-L157 HydrophobicContact CG-CD1 3.9Å; L105-L157 HydrophobicContact CG-CD2 3.99Å
106A80.5Confident77.9Confident3 Ų342.9 Ų42.93%0.02523%0.232CC..Hα-helixtrans-57.6-41.9172.900000111.7C67 V69 V102 K103 L109 T110C67-A106 HydrophobicContact CB-CB 3.81Å; V69-A106 HydrophobicContact CG2-CB 3.63Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.48Å; K103-A106 PolarHBondContact O-N 3.34Å; A106-L109 PolarHBondContact O-N 3.18Å; A106-T110 PolarHBondContact O-N 3Å; A106-T110 PolarHBondContact O-OG1 2.9Å
107G80.9Confident78Confident35 Ų3542.9 Ų42.936%0.36123%0.232SC..Hα-helixtrans-60.1-49172.600000113.1K103 K104 L105 L109 T110 T111K103-G107 PolarHBondContact O-N 2.9Å; K104-G107 PolarHBondContact O-N 2.86Å; L105-G107 VanDerWaalsContact C-N 3.27Å; L105-G107 PolarHBondContact O-N 3.42Å; G107-L109 PolarHBondContact O-N 3.27Å; G107-T110 WeakPolarHBondContact O-CB 3.4Å; G107-T110 PolarHBondContact O-N 3.22Å; G107-T110 VanDerWaalsContact O-N 3.13Å; G107-T111 PolarHBondContact O-N 2.88Å; G107-T111 PolarHBondContact O-OG1 2.69Å
108Y82.6Confident77.6Confident52 Ų5243.4 Ų43.420%0.20423%0.232CC..Hα-helixtrans-61.7-41.6177.2-77.8-62.4000112.8K104 L105 T110 T111 L112 I155K104-Y108 HydrophobicContact CD-CE2 3.84Å; K104-Y108 WeakPolarHBondContact CE-OH 3.32Å; K104-Y108 HydrophobicContact CG-CD2 4.03Å; K104-Y108 HydrophobicContact CG-CE2 3.63Å; K104-Y108 PolarHBondContact NZ-OH 2.91Å; K104-Y108 WeakPolarHBondContact O-CD2 3.47Å; K104-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 PolarHBondContact O-N 3.25Å; Y108-T110 PolarHBondContact O-N 3.09Å; Y108-T111 PolarHBondContact O-N 2.82Å; Y108-T111 PolarHBondContact O-OG1 3.15Å; Y108-L112 WeakPolarHBondContact O-CB 3.35Å; Y108-L112 WeakPolarHBondContact O-CD1 3.32Å; Y108-L112 VanDerWaalsContact O-CG 3.22Å; Y108-L112 WeakPolarHBondContact O-CG 3.17Å; Y108-L112 PolarHBondContact O-N 3.29Å; Y108-I155 HydrophobicContact CD1-CG1 4.37Å; Y108-I155 HydrophobicContact CD2-CB 4.48Å; Y108-I155 HydrophobicContact CD2-CD1 4.47Å; Y108-I155 HydrophobicContact CD2-CG1 4.24Å; Y108-I155 HydrophobicContact CD2-CG2 3.86Å; Y108-I155 HydrophobicContact CE2-CG2 3.91Å; Y108-I155 HydrophobicContact CG-CD1 4.3Å; Y108-I155 HydrophobicContact CG-CG1 4.09Å
109L78.2Confident77.1Confident12 Ų1243.4 Ų43.46%0.06323%0.232CC..Hα-helixtrans-65-33175.4-71.8177000111.7F12 F83 L85 L105 A106 G107 L112 E113 L128F12-L109 HydrophobicContact CE2-CD1 4.39Å; F83-L109 HydrophobicContact CE2-CB 3.82Å; F83-L109 HydrophobicContact CE2-CD1 4Å; F83-L109 HydrophobicContact CZ-CB 3.94Å; L85-L109 HydrophobicContact CB-CD1 4.32Å; L85-L109 HydrophobicContact CD1-CD1 3.52Å; L105-L109 WeakPolarHBondContact O-CG 3.24Å; L105-L109 PolarHBondContact O-N 2.84Å; A106-L109 PolarHBondContact O-N 3.18Å; G107-L109 PolarHBondContact O-N 3.27Å; L109-L112 HydrophobicContact CD2-CD1 4.43Å; L109-E113 WeakPolarHBondContact O-CB 3.3Å; L109-E113 PolarHBondContact O-N 2.88Å; L109-L128 HydrophobicContact CD2-CD1 4.23Å
110T79Confident76.4Confident36 Ų3643.4 Ų43.422%0.22124%0.239CC..Hα-helixtrans-66.1-45.8175-53.30000111.5V69 I71 A106 G107 Y108 E113 L114V69-T110 WeakPolarHBondContact CG1-OG1 3.45Å; I71-T110 HydrophobicContact CD1-CG2 3.92Å; I71-T110 HydrophobicContact CG1-CG2 4.14Å; A106-T110 PolarHBondContact O-N 3Å; A106-T110 PolarHBondContact O-OG1 2.9Å; G107-T110 WeakPolarHBondContact O-CB 3.4Å; G107-T110 PolarHBondContact O-N 3.22Å; G107-T110 VanDerWaalsContact O-N 3.13Å; Y108-T110 PolarHBondContact O-N 3.09Å; T110-E113 PolarHBondContact O-N 3.44Å; T110-L114 HydrophobicContact CG2-CD1 4.35Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 2.82Å; T110-L114 VanDerWaalsContact O-N 3.12Å
111T81.1Confident75.6Confident58 Ų5843.3 Ų43.336%0.35624%0.237SC..Hα-helixtrans-67.1-41.8178.154.90000111.6G107 Y108 E113 L114 E115G107-T111 PolarHBondContact O-N 2.88Å; G107-T111 PolarHBondContact O-OG1 2.69Å; Y108-T111 PolarHBondContact O-N 2.82Å; Y108-T111 PolarHBondContact O-OG1 3.15Å; T111-E113 VanDerWaalsContact C-N 3.3Å; T111-E113 PolarHBondContact O-N 2.77Å; T111-L114 PolarHBondContact O-N 3.12Å; T111-E115 WeakPolarHBondContact O-CB 3.42Å; T111-E115 WeakPolarHBondContact O-CG 3.37Å; T111-E115 PolarHBondContact O-N 2.99Å
112L78Confident74.8Confident3 Ų350.5 Ų50.52%0.01627%0.271CS..Hα-helixtrans-59.5-40.5174.3-74.1167.4000111.8Y108 L109 S116 S117 F118 I149 N153Y108-L112 WeakPolarHBondContact O-CB 3.35Å; Y108-L112 WeakPolarHBondContact O-CD1 3.32Å; Y108-L112 VanDerWaalsContact O-CG 3.22Å; Y108-L112 WeakPolarHBondContact O-CG 3.17Å; Y108-L112 PolarHBondContact O-N 3.29Å; L109-L112 HydrophobicContact CD2-CD1 4.43Å; L112-S116 PolarHBondContact O-N 3.45Å; L112-S116 PolarHBondContact O-OG 3.5Å; L112-S117 PolarHBondContact O-N 3.14Å; L112-F118 HydrophobicContact CB-CB 4.39Å; L112-I149 HydrophobicContact CD1-CD1 3.83Å; L112-N153 HydrophobicContact CD2-CB 3.85Å; L112-N153 WeakPolarHBondContact CD2-ND2 3.44Å
113E76.9Confident74.1Confident2 Ų257.9 Ų57.91%0.00931%0.305CS..Hα-helixtrans-67.1-39.6177.7-173.458.7-164.300112.8I71 Y76 L109 T110 T111 S117 F118 V119 S120I71-E113 HydrophobicContact CD1-CB 3.63Å; I71-E113 HydrophobicContact CD1-CG 3.74Å; Y76-E113 VanDerWaalsContact OH-CD 3.23Å; Y76-E113 WeakPolarHBondContact OH-CG 3.32Å; Y76-E113 PolarHBondContact OH-OE1 3.29Å; L109-E113 WeakPolarHBondContact O-CB 3.3Å; L109-E113 PolarHBondContact O-N 2.88Å; T110-E113 PolarHBondContact O-N 3.44Å; T111-E113 VanDerWaalsContact C-N 3.3Å; T111-E113 PolarHBondContact O-N 2.77Å; E113-S117 WeakPolarHBondContact O-CA 3.23Å; E113-S117 PolarHBondContact O-N 2.8Å; E113-S117 VanDerWaalsContact OE2-C 3.24Å; E113-F118 PolarHBondContact OE2-N 2.78Å; E113-V119 VanDerWaalsContact OE2-CA 3.31Å; E113-V119 WeakPolarHBondContact OE2-CA 3.38Å; E113-V119 WeakPolarHBondContact OE2-CB 3.13Å; E113-V119 VanDerWaalsContact OE2-CG2 3.29Å; E113-V119 WeakPolarHBondContact OE2-CG2 3.45Å; E113-V119 PolarHBondContact OE2-N 2.87Å; E113-S120 PolarHBondContact OE1-N 3.27Å; E113-S120 PolarHBondContact OE1-OG 3.11Å
114L74.9Confident73.4Confident112 Ų11252.6 Ų52.659%0.58628%0.284SS*.Hα-helixtrans-68.1-36.8178.9-69.4172.5000112.5I71 T110 T111I71-L114 HydrophobicContact CG2-CD2 4.22Å; T110-L114 HydrophobicContact CG2-CD1 4.35Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 2.82Å; T110-L114 VanDerWaalsContact O-N 3.12Å; T111-L114 PolarHBondContact O-N 3.12Å
115E76.7Confident72.6Confident131 Ų13149.6 Ų49.661%0.61227%0.271SS*.Hα-helixtrans-84.7-48.9-176.6-70177.5175.700112.9T111 N153T111-E115 WeakPolarHBondContact O-CB 3.42Å; T111-E115 WeakPolarHBondContact O-CG 3.37Å; T111-E115 PolarHBondContact O-N 2.99Å; E115-N153 PolarHBondContact OE2-ND2 2.89Å
116S64.6Low72.1Confident50 Ų5056.2 Ų56.235%0.3530%0.302SS..Hα-helixtrans-117-1.4-170.963.40000114.3L112 F118L112-S116 PolarHBondContact O-N 3.45Å; L112-S116 PolarHBondContact O-OG 3.5Å; S116-F118 PolarHBondContact O-N 3.49Å
117S68.8Low71.8Confident29 Ų2962.8 Ų62.820%0.20333%0.33CS..  trans51.442.5-175.9-59.40000112.2L112 E113 V119 S120 T121L112-S117 PolarHBondContact O-N 3.14Å; E113-S117 WeakPolarHBondContact O-CA 3.23Å; E113-S117 PolarHBondContact O-N 2.8Å; E113-S117 VanDerWaalsContact OE2-C 3.24Å; S117-V119 VanDerWaalsContact C-N 3.33Å; S117-V119 PolarHBondContact O-N 3.32Å; S117-S120 VanDerWaalsContact O-CB 3.29Å; S117-S120 WeakPolarHBondContact O-CB 3.48Å; S117-S120 PolarHBondContact O-N 2.97Å; S117-T121 PolarHBondContact O-N 3.29Å
118F63.3Low71.5Confident22 Ų2261.6 Ų61.610%0.09632%0.315CS..THydrogen-bonded Turntrans-60.3-32-171.6-163.9-93.7000115.1L112 E113 S116 S124 K127 L128 I149L112-F118 HydrophobicContact CB-CB 4.39Å; E113-F118 PolarHBondContact OE2-N 2.78Å; S116-F118 PolarHBondContact O-N 3.49Å; F118-S124 VanDerWaalsContact CE1-O 3.3Å; F118-S124 WeakPolarHBondContact CE1-O 3.5Å; F118-S124 WeakPolarHBondContact CZ-O 3.48Å; F118-S124 VanDerWaalsContact O-CB 3.25Å; F118-S124 WeakPolarHBondContact O-CB 3.49Å; F118-S124 PolarHBondContact O-OG 2.87Å; F118-K127 HydrophobicContact CZ-CB 4.19Å; F118-L128 HydrophobicContact CE1-CB 4.46Å; F118-I149 HydrophobicContact CE2-CG2 4.01Å; F118-I149 HydrophobicContact CZ-CG2 4.11Å
119V64.4Low71.4Confident3 Ų361.1 Ų61.12%0.01832%0.317CS..THydrogen-bonded Turntrans-89.7-8.2176.5-166.80000111F12 L81 E113 S117 K125F12-V119 HydrophobicContact CZ-CG1 4.05Å; L81-V119 HydrophobicContact CD1-CG1 4.37Å; L81-V119 HydrophobicContact CD2-CG1 4.25Å; E113-V119 VanDerWaalsContact OE2-CA 3.31Å; E113-V119 WeakPolarHBondContact OE2-CA 3.38Å; E113-V119 WeakPolarHBondContact OE2-CB 3.13Å; E113-V119 VanDerWaalsContact OE2-CG2 3.29Å; E113-V119 WeakPolarHBondContact OE2-CG2 3.45Å; E113-V119 PolarHBondContact OE2-N 2.87Å; S117-V119 VanDerWaalsContact C-N 3.33Å; S117-V119 PolarHBondContact O-N 3.32Å; V119-K125 WeakPolarHBondContact O-CE 3.47Å; V119-K125 PolarHBondContact O-NZ 2.94Å
120S60.7Low71.5Confident58 Ų5863.9 Ų63.941%0.40634%0.336SS..THydrogen-bonded Turntrans-85.2-30.4172.5-58.90000112.7Y76 E113 S117Y76-S120 WeakPolarHBondContact CE1-OG 3.37Å; E113-S120 PolarHBondContact OE1-N 3.27Å; E113-S120 PolarHBondContact OE1-OG 3.11Å; S117-S120 VanDerWaalsContact O-CB 3.29Å; S117-S120 WeakPolarHBondContact O-CB 3.48Å; S117-S120 PolarHBondContact O-N 2.97Å
121T66.4Low71.6Confident69 Ų6963.3 Ų63.342%0.42333%0.331SS..SBendtrans-96.3126-176.1-56.80000111.2S117 E123 S124 K125S117-T121 PolarHBondContact O-N 3.29Å; T121-E123 VanDerWaalsContact C-N 3.27Å; T121-E123 HydrophobicContact CG2-CB 4.19Å; T121-E123 PolarHBondContact O-N 2.91Å; T121-S124 WeakPolarHBondContact CB-OG 3.15Å; T121-S124 PolarHBondContact O-N 3.39Å; T121-S124 PolarHBondContact O-OG 2.84Å; T121-K125 PolarHBondContact O-N 2.99Å; T121-K125 VanDerWaalsContact O-N 3.16Å
122E66.1Low71.5Confident160 Ų16060.7 Ų60.775%0.74832%0.315SS*.Hα-helixtrans-64-28.6-177.7-68.7-174.7161.800113.5K125 Q126E122-K125 WeakPolarHBondContact O-CB 3.35Å; E122-K125 PolarHBondContact O-N 3.32Å; E122-Q126 PolarHBondContact O-N 3.04Å
123E64.9Low71.7Confident154 Ų15462.9 Ų62.972%0.7233%0.329SS*.Hα-helixtrans-69-37.8176.8-63.9-179.2176.500112.7T121 Q126 K127T121-E123 VanDerWaalsContact C-N 3.27Å; T121-E123 HydrophobicContact CG2-CB 4.19Å; T121-E123 PolarHBondContact O-N 2.91Å; E123-Q126 PolarHBondContact O-N 3.02Å; E123-K127 PolarHBondContact O-N 2.95Å
124S67.9Low72.1Confident15 Ų1566.4 Ų66.411%0.10535%0.347CS..Hα-helixtrans-75.8-28.4174.8400000112.1F118 T121 Q126 K127 L128F118-S124 VanDerWaalsContact CE1-O 3.3Å; F118-S124 WeakPolarHBondContact CE1-O 3.5Å; F118-S124 WeakPolarHBondContact CZ-O 3.48Å; F118-S124 VanDerWaalsContact O-CB 3.25Å; F118-S124 WeakPolarHBondContact O-CB 3.49Å; F118-S124 PolarHBondContact O-OG 2.87Å; T121-S124 WeakPolarHBondContact CB-OG 3.15Å; T121-S124 PolarHBondContact O-N 3.39Å; T121-S124 PolarHBondContact O-OG 2.84Å; S124-Q126 VanDerWaalsContact C-N 3.3Å; S124-Q126 PolarHBondContact O-N 2.77Å; S124-K127 WeakPolarHBondContact O-CB 3.48Å; S124-K127 PolarHBondContact O-N 2.9Å; S124-K127 VanDerWaalsContact O-N 3.11Å; S124-L128 PolarHBondContact O-N 2.91Å
125K68.3Low72.4Confident34 Ų3461.5 Ų61.515%0.14832%0.321CS..Hα-helixtrans-60-38.6169.2-70.4-172.3-175.7-167.20112.2E14 Y25 V119 T121 E122 K127 L128E14-K125 IonicContact OE1-NZ 3.18Å; E14-K125 PolarHBondContact OE1-NZ 3Å; E14-K125 IonicContact OE2-NZ 2.73Å; E14-K125 PolarHBondContact OE2-NZ 3.12Å; Y25-K125 HydrophobicContact CE2-CB 3.93Å; Y25-K125 WeakPolarHBondContact OH-CB 3.4Å; V119-K125 WeakPolarHBondContact O-CE 3.47Å; V119-K125 PolarHBondContact O-NZ 2.94Å; T121-K125 PolarHBondContact O-N 2.99Å; T121-K125 VanDerWaalsContact O-N 3.16Å; E122-K125 WeakPolarHBondContact O-CB 3.35Å; E122-K125 PolarHBondContact O-N 3.32Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3Å; K125-L128 VanDerWaalsContact O-CB 3.3Å; K125-L128 WeakPolarHBondContact O-CB 3.46Å; K125-L128 PolarHBondContact O-N 3.44Å
126Q69.9Low72.7Confident143 Ų14356.2 Ų56.267%0.66830%0.297SS*.Hα-helixtrans-66.1-33.3173.8-72.9-168.9-9.400112.9E122 E123 S124 L128 V129 P130E122-Q126 PolarHBondContact O-N 3.04Å; E123-Q126 PolarHBondContact O-N 3.02Å; S124-Q126 VanDerWaalsContact C-N 3.3Å; S124-Q126 PolarHBondContact O-N 2.77Å; Q126-L128 PolarHBondContact O-N 3.21Å; Q126-V129 PolarHBondContact O-N 2.87Å; Q126-P130 WeakPolarHBondContact O-CD 3.49Å
127K74.2Confident73.6Confident141 Ų14159.8 Ų59.861%0.61331%0.308SS*.Hα-helixtrans-67.6-20.9174.7-66.6-179-178.8177.40113.2F118 E123 S124 K125 V129 P130 I131F118-K127 HydrophobicContact CZ-CB 4.19Å; E123-K127 PolarHBondContact O-N 2.95Å; S124-K127 WeakPolarHBondContact O-CB 3.48Å; S124-K127 PolarHBondContact O-N 2.9Å; S124-K127 VanDerWaalsContact O-N 3.11Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 3.07Å; K127-P130 WeakPolarHBondContact O-CD 3.44Å; K127-I131 WeakPolarHBondContact O-CD1 3.48Å; K127-I131 VanDerWaalsContact O-CG1 3.26Å; K127-I131 WeakPolarHBondContact O-CG1 3.33Å; K127-I131 PolarHBondContact O-N 2.87Å
128L75.3Confident74.3Confident10 Ų1062.3 Ų62.35%0.05232%0.317CS..Hα-helixtrans-68.4-30.7177.6-164.8143.9000112.1F12 L109 F118 S124 K125 Q126 I131 M132F12-L128 HydrophobicContact CB-CD2 4.13Å; F12-L128 HydrophobicContact CD2-CD1 4.47Å; F12-L128 HydrophobicContact CD2-CD2 4.44Å; F12-L128 HydrophobicContact CE2-CD1 4.43Å; F12-L128 HydrophobicContact CG-CD2 4.15Å; L109-L128 HydrophobicContact CD2-CD1 4.23Å; F118-L128 HydrophobicContact CE1-CB 4.46Å; S124-L128 PolarHBondContact O-N 2.91Å; K125-L128 VanDerWaalsContact O-CB 3.3Å; K125-L128 WeakPolarHBondContact O-CB 3.46Å; K125-L128 PolarHBondContact O-N 3.44Å; Q126-L128 PolarHBondContact O-N 3.21Å; L128-I131 WeakPolarHBondContact O-CB 3.37Å; L128-I131 PolarHBondContact O-N 3.02Å; L128-M132 HydrophobicContact CD2-CG 3.84Å; L128-M132 HydrophobicContact CD2-SD 3.29Å; L128-M132 WeakPolarHBondContact CD2-SD 3.44Å; L128-M132 VanDerWaalsContact O-CG 3.32Å; L128-M132 WeakPolarHBondContact O-CG 3.29Å; L128-M132 PolarHBondContact O-N 3.39Å
129V79.4Confident75.1Confident42 Ų4261.9 Ų61.926%0.25532%0.315SS..Hα-helixtrans-65.2-52.2179.8-179.80000112Y25 V27 Q126 K127 I131 M132 T133Y25-V129 HydrophobicContact CD1-CG2 3.28Å; Y25-V129 HydrophobicContact CE1-CG2 3.76Å; Y25-V129 HydrophobicContact CG-CG2 3.72Å; V27-V129 HydrophobicContact CG2-CG1 4.12Å; Q126-V129 PolarHBondContact O-N 2.87Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 3.07Å; V129-I131 VanDerWaalsContact C-N 3.26Å; V129-I131 PolarHBondContact O-N 2.94Å; V129-M132 PolarHBondContact O-N 3.26Å; V129-M132 VanDerWaalsContact O-N 3.14Å; V129-T133 PolarHBondContact O-N 2.83Å; V129-T133 PolarHBondContact O-OG1 2.98Å; V129-T133 VanDerWaalsContact O-OG1 3.11Å
130P81.4Confident75.8Confident69 Ų6964.8 Ų64.845%0.44833%0.331SS..Hα-helixtrans-55.6-38.6172.1-26.432.7000113.6Q126 K127 M132 T133 I134Q126-P130 WeakPolarHBondContact O-CD 3.49Å; K127-P130 WeakPolarHBondContact O-CD 3.44Å; P130-M132 PolarHBondContact O-N 2.9Å; P130-T133 PolarHBondContact O-N 3.16Å; P130-I134 VanDerWaalsContact O-CG1 3.29Å; P130-I134 WeakPolarHBondContact O-CG1 3.13Å; P130-I134 PolarHBondContact O-N 3.34Å
131I81.4Confident76.8Confident25 Ų2566.1 Ų66.113%0.12835%0.345CS..Hα-helixtrans-61.8-45.1177.8-65.8168.1000110.3K127 L128 V129 T133 I134 L135 L147 I149K127-I131 WeakPolarHBondContact O-CD1 3.48Å; K127-I131 VanDerWaalsContact O-CG1 3.26Å; K127-I131 WeakPolarHBondContact O-CG1 3.33Å; K127-I131 PolarHBondContact O-N 2.87Å; L128-I131 WeakPolarHBondContact O-CB 3.37Å; L128-I131 PolarHBondContact O-N 3.02Å; V129-I131 VanDerWaalsContact C-N 3.26Å; V129-I131 PolarHBondContact O-N 2.94Å; I131-T133 VanDerWaalsContact C-N 3.35Å; I131-T133 PolarHBondContact O-N 2.68Å; I131-I134 PolarHBondContact O-N 3.14Å; I131-L135 HydrophobicContact CG2-CD1 3.86Å; I131-L135 HydrophobicContact CG2-CG 4.34Å; I131-L135 WeakPolarHBondContact O-CB 3.3Å; I131-L135 WeakPolarHBondContact O-CG 3.5Å; I131-L135 PolarHBondContact O-N 2.62Å; I131-L147 HydrophobicContact CB-CD2 4.48Å; I131-L147 HydrophobicContact CD1-CD2 4.34Å; I131-L147 HydrophobicContact CG1-CD2 3.89Å; I131-L147 HydrophobicContact CG2-CD1 4.1Å; I131-L147 HydrophobicContact CG2-CD2 3.99Å; I131-I149 HydrophobicContact CD1-CD1 3.92Å; I131-I149 HydrophobicContact CD1-CG1 3.9Å; I131-I149 HydrophobicContact CD1-CG2 4.07Å
132M78.8Confident77Confident3 Ų366 Ų662%0.01535%0.347CS..Hα-helixtrans-63-39.9176.6-68.5170.783.800112.2I10 F12 V27 L128 V129 P130 L135 L136I10-M132 HydrophobicContact CB-CE 3.81Å; I10-M132 HydrophobicContact CG2-CE 3.5Å; I10-M132 HydrophobicContact CG2-CG 4.41Å; I10-M132 VanDerWaalsContact O-CE 3.23Å; I10-M132 WeakPolarHBondContact O-CE 3.41Å; F12-M132 HydrophobicContact CB-CE 4.14Å; F12-M132 HydrophobicContact CB-SD 4.26Å; V27-M132 HydrophobicContact CB-CB 4.37Å; V27-M132 HydrophobicContact CG2-CB 3.88Å; V27-M132 HydrophobicContact CG2-SD 4.45Å; L128-M132 HydrophobicContact CD2-CG 3.84Å; L128-M132 HydrophobicContact CD2-SD 3.29Å; L128-M132 WeakPolarHBondContact CD2-SD 3.44Å; L128-M132 VanDerWaalsContact O-CG 3.32Å; L128-M132 WeakPolarHBondContact O-CG 3.29Å; L128-M132 PolarHBondContact O-N 3.39Å; V129-M132 PolarHBondContact O-N 3.26Å; V129-M132 VanDerWaalsContact O-N 3.14Å; P130-M132 PolarHBondContact O-N 2.9Å; M132-L135 PolarHBondContact O-N 2.89Å; M132-L136 WeakPolarHBondContact O-CB 3.18Å; M132-L136 PolarHBondContact O-N 3.44Å
133T82.5Confident77.4Confident49 Ų4959.1 Ų59.130%0.30132%0.319SS..Hα-helixtrans-64-47.8177.2-49.20000111.5V27 V129 P130 I131 L135 L136 E137V27-T133 HydrophobicContact CG1-CG2 4.45Å; V129-T133 PolarHBondContact O-N 2.83Å; V129-T133 PolarHBondContact O-OG1 2.98Å; V129-T133 VanDerWaalsContact O-OG1 3.11Å; P130-T133 PolarHBondContact O-N 3.16Å; I131-T133 VanDerWaalsContact C-N 3.35Å; I131-T133 PolarHBondContact O-N 2.68Å; T133-L135 VanDerWaalsContact C-N 3.31Å; T133-L135 PolarHBondContact O-N 3.35Å; T133-L136 WeakPolarHBondContact O-CB 3.11Å; T133-L136 PolarHBondContact O-N 3.38Å; T133-E137 PolarHBondContact O-N 2.93Å
134I83.8Confident78.1Confident76 Ų7659.1 Ų59.139%0.3931%0.312SS..Hα-helixtrans-62.8-40.9177.2-64.1163.8000110.4P130 I131 L136 E137 E138 L147P130-I134 VanDerWaalsContact O-CG1 3.29Å; P130-I134 WeakPolarHBondContact O-CG1 3.13Å; P130-I134 PolarHBondContact O-N 3.34Å; I131-I134 PolarHBondContact O-N 3.14Å; I134-L136 VanDerWaalsContact C-N 3.33Å; I134-L136 PolarHBondContact O-N 3.11Å; I134-E137 PolarHBondContact O-N 3.31Å; I134-E138 HydrophobicContact CG2-CG 4.04Å; I134-E138 VanDerWaalsContact O-CB 3.3Å; I134-E138 WeakPolarHBondContact O-CB 3.41Å; I134-E138 WeakPolarHBondContact O-CG 3.28Å; I134-E138 PolarHBondContact O-N 3.15Å; I134-L147 HydrophobicContact CB-CD1 3.94Å; I134-L147 HydrophobicContact CD1-CD1 4.23Å; I134-L147 HydrophobicContact CG2-CD1 3.74Å
135L82.4Confident78.4Confident8 Ų858.6 Ų58.64%0.04231%0.309CS..Hα-helixtrans-60.3-43.1175.3-77.3170.9000111.9I10 L105 I131 M132 T133 L139 C145 L157I10-L135 HydrophobicContact CD1-CB 4.03Å; L105-L135 HydrophobicContact CD1-CD1 4.42Å; L105-L135 HydrophobicContact CD2-CD1 4.43Å; I131-L135 HydrophobicContact CG2-CD1 3.86Å; I131-L135 HydrophobicContact CG2-CG 4.34Å; I131-L135 WeakPolarHBondContact O-CB 3.3Å; I131-L135 WeakPolarHBondContact O-CG 3.5Å; I131-L135 PolarHBondContact O-N 2.62Å; M132-L135 PolarHBondContact O-N 2.89Å; T133-L135 VanDerWaalsContact C-N 3.31Å; T133-L135 PolarHBondContact O-N 3.35Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 WeakPolarHBondContact O-CD1 3.42Å; L135-L139 WeakPolarHBondContact O-CG 3.42Å; L135-L139 PolarHBondContact O-N 3.08Å; L135-C145 HydrophobicContact CD2-CB 4.05Å; L135-L157 HydrophobicContact CD2-CD1 3.39Å
136L82.6Confident79Confident20 Ų2062 Ų6211%0.10533%0.332CS..Hα-helixtrans-64.3-42.9178.8-176.667.3000111.5I7 I10 V27 P28 M132 T133 I134 N140I7-L136 HydrophobicContact CB-CD1 3.91Å; I7-L136 HydrophobicContact CG2-CD1 3.55Å; I7-L136 WeakPolarHBondContact O-CD1 3.3Å; I10-L136 HydrophobicContact CD1-CB 4.17Å; I10-L136 HydrophobicContact CG1-CD1 4.33Å; V27-L136 HydrophobicContact CG1-CD2 4.21Å; P28-L136 HydrophobicContact CG-CD2 4.48Å; M132-L136 WeakPolarHBondContact O-CB 3.18Å; M132-L136 PolarHBondContact O-N 3.44Å; T133-L136 WeakPolarHBondContact O-CB 3.11Å; T133-L136 PolarHBondContact O-N 3.38Å; I134-L136 VanDerWaalsContact C-N 3.33Å; I134-L136 PolarHBondContact O-N 3.11Å; L136-N140 VanDerWaalsContact O-CB 3.25Å; L136-N140 WeakPolarHBondContact O-CB 3.45Å; L136-N140 VanDerWaalsContact O-CG 3.25Å; L136-N140 PolarHBondContact O-N 3.45Å; L136-N140 PolarHBondContact O-ND2 3.33Å
137E82.7Confident79.4Confident126 Ų12655.8 Ų55.859%0.58930%0.304SS*.Hα-helixtrans-69.6-50.7179.1-70.6180174.500111.8T133 I134 N140 A141T133-E137 PolarHBondContact O-N 2.93Å; I134-E137 PolarHBondContact O-N 3.31Å; E137-N140 PolarHBondContact O-N 3.41Å; E137-A141 VanDerWaalsContact O-CB 3.22Å; E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.49Å
138E83.3Confident79.6Confident82 Ų8253.7 Ų53.738%0.38331%0.305SS..Hα-helixtrans-67.9-39.6-177-75.6-61.6139.100112.9I134 N140 A141 S142 G143 C145I134-E138 HydrophobicContact CG2-CG 4.04Å; I134-E138 VanDerWaalsContact O-CB 3.3Å; I134-E138 WeakPolarHBondContact O-CB 3.41Å; I134-E138 WeakPolarHBondContact O-CG 3.28Å; I134-E138 PolarHBondContact O-N 3.15Å; E138-N140 VanDerWaalsContact C-N 3.31Å; E138-N140 PolarHBondContact O-N 2.89Å; E138-A141 PolarHBondContact O-N 3.27Å; E138-S142 PolarHBondContact O-N 3.34Å; E138-S142 PolarHBondContact O-OG 2.82Å; E138-S142 PolarHBondContact OE2-OG 3.22Å; E138-G143 PolarHBondContact O-N 3.36Å; E138-G143 VanDerWaalsContact O-N 3.16Å; E138-C145 HydrophobicContact CB-CB 4.16Å
139L80.1Confident79.4Confident12 Ų1255.1 Ų55.16%0.06331%0.312CS..Hα-helixtrans-66.6-36176.1-69.6172.7000111.6I7 F87 L135 G143 V159I7-L139 HydrophobicContact CD1-CB 3.74Å; I7-L139 HydrophobicContact CD1-CD1 3.72Å; I7-L139 HydrophobicContact CD1-CG 4.36Å; F87-L139 HydrophobicContact CE1-CD1 3.92Å; F87-L139 HydrophobicContact CZ-CD1 4.39Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 WeakPolarHBondContact O-CD1 3.42Å; L135-L139 WeakPolarHBondContact O-CG 3.42Å; L135-L139 PolarHBondContact O-N 3.08Å; L139-G143 WeakPolarHBondContact O-CA 3.49Å; L139-G143 PolarHBondContact O-N 3.01Å; L139-V159 HydrophobicContact CD2-CG2 3.84Å
140N80.6Confident79Confident65 Ų6557 Ų5735%0.34832%0.321SS..Hα-helixtrans-76.8-28.5176.4-76.7-36.2000112.9I7 L136 E137 E138I7-N140 PolarHBondContact N-OD1 2.88Å; I7-N140 PolarHBondContact O-ND2 3.43Å; L136-N140 VanDerWaalsContact O-CB 3.25Å; L136-N140 WeakPolarHBondContact O-CB 3.45Å; L136-N140 VanDerWaalsContact O-CG 3.25Å; L136-N140 PolarHBondContact O-N 3.45Å; L136-N140 PolarHBondContact O-ND2 3.33Å; E137-N140 PolarHBondContact O-N 3.41Å; E138-N140 VanDerWaalsContact C-N 3.31Å; E138-N140 PolarHBondContact O-N 2.89Å
141A81Confident78.3Confident85 Ų8563.3 Ų63.370%0.70234%0.344SS*.Hα-helixtrans-86.5-50.9-177.700000113.4E137 E138E137-A141 VanDerWaalsContact O-CB 3.22Å; E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.49Å; E138-A141 PolarHBondContact O-N 3.27Å
142S71.3Confident77.7Confident66 Ų6666.2 Ų66.246%0.46237%0.367SS..THydrogen-bonded Turntrans-121.2-15.6-169.575.90000113.6E138 R144E138-S142 PolarHBondContact O-N 3.34Å; E138-S142 PolarHBondContact O-OG 2.82Å; E138-S142 PolarHBondContact OE2-OG 3.22Å; S142-R144 PolarHBondContact O-N 3.46Å; S142-R144 PolarHBondContact OG-N 2.98Å; S142-R144 PolarHBondContact OG-O 3.18Å
143G73.4Confident77.4Confident16 Ų1667.4 Ų67.417%0.16537%0.373CS..SBendtrans65.613.7-174.300000113.2E138 L139 V159E138-G143 PolarHBondContact O-N 3.36Å; E138-G143 VanDerWaalsContact O-N 3.16Å; L139-G143 WeakPolarHBondContact O-CA 3.49Å; L139-G143 PolarHBondContact O-N 3.01Å; G143-V159 WeakPolarHBondContact O-CG2 3.27Å; G143-V159 PolarHBondContact O-N 3.31Å
144R79.4Confident77.4Confident154 Ų15468.3 Ų68.358%0.58138%0.378SS*.EExtended strand (participates in β ladder)trans-134.1135.2175.8-60.3-177-173.6177.54.2108S142 L157 K158S142-R144 PolarHBondContact O-N 3.46Å; S142-R144 PolarHBondContact OG-N 2.98Å; S142-R144 PolarHBondContact OG-O 3.18Å; R144-L157 WeakPolarHBondContact CA-O 2.93Å; R144-K158 HydrophobicContact CG-CG 4.23Å
145C75.6Confident77.2Confident4 Ų465 Ų653%0.02736%0.361CS..EExtended strand (participates in β ladder)trans-134126.9175.1-170.10000109.2L135 E138 L157L135-C145 HydrophobicContact CD2-CB 4.05Å; E138-C145 HydrophobicContact CB-CB 4.16Å; C145-L157 HydrophobicContact CB-CB 4.32Å; C145-L157 PolarHBondContact N-O 2.99Å; C145-L157 PolarHBondContact O-N 3.48Å
146T80.3Confident77.2Confident105 Ų10568.8 Ų68.864%0.64438%0.379SS*.EExtended strand (participates in β ladder)trans-119.6105.2169.755.80000107.4I155 H156T146-I155 CarbonylContact C-O 3.41Å; T146-I155 WeakPolarHBondContact CA-O 3.34Å; T146-H156 VanDerWaalsContact CG2-ND1 3.34Å; T146-H156 WeakPolarHBondContact CG2-ND1 3.14Å
147L78.1Confident77.1Confident13 Ų1368.2 Ų68.27%0.06838%0.376CS..EExtended strand (participates in β ladder)trans-120.8111.4-173.8-164.8142.9000110.2I131 I134 I149 I155I131-L147 HydrophobicContact CB-CD2 4.48Å; I131-L147 HydrophobicContact CD1-CD2 4.34Å; I131-L147 HydrophobicContact CG1-CD2 3.89Å; I131-L147 HydrophobicContact CG2-CD1 4.1Å; I131-L147 HydrophobicContact CG2-CD2 3.99Å; I134-L147 HydrophobicContact CB-CD1 3.94Å; I134-L147 HydrophobicContact CD1-CD1 4.23Å; I134-L147 HydrophobicContact CG2-CD1 3.74Å; L147-I149 HydrophobicContact CD2-CD1 4.18Å; L147-I149 HydrophobicContact CD2-CG1 3.36Å; L147-I155 PolarHBondContact N-O 3.49Å; L147-I155 PolarHBondContact O-N 3.48Å
148P77.9Confident77.1Confident97 Ų9768.2 Ų68.263%0.6337%0.374SS*.EExtended strand (participates in β ladder)trans-75.8121.9169.130.4-30.7000109.5T154P148-T154 HydrophobicContact CB-CG2 4.02Å
149I71.5Confident76.9Confident41 Ų4166.1 Ų66.121%0.2137%0.367CS..  trans-97.8-37176.1-60.4179.8000110.5L112 F118 I131 L147 N153 I155L112-I149 HydrophobicContact CD1-CD1 3.83Å; F118-I149 HydrophobicContact CE2-CG2 4.01Å; F118-I149 HydrophobicContact CZ-CG2 4.11Å; I131-I149 HydrophobicContact CD1-CD1 3.92Å; I131-I149 HydrophobicContact CD1-CG1 3.9Å; I131-I149 HydrophobicContact CD1-CG2 4.07Å; L147-I149 HydrophobicContact CD2-CD1 4.18Å; L147-I149 HydrophobicContact CD2-CG1 3.36Å; I149-N153 PolarHBondContact N-O 2.87Å; I149-I155 HydrophobicContact CD1-CD1 3.25Å; I149-I155 HydrophobicContact CD1-CG1 3.72Å; I149-I155 HydrophobicContact CG1-CD1 4.31Å; I149-I155 HydrophobicContact CG1-CG1 4.35Å
150D70.8Confident76.6Confident81 Ų8170.8 Ų70.843%0.43339%0.39SS..SBendtrans-143.2172-177.1-155-3.4000110.9S152 N153D150-S152 PolarHBondContact O-N 3.42Å; D150-S152 VanDerWaalsContact O-N 3.16Å; D150-N153 HydrophobicContact CB-CB 4.35Å; D150-N153 PolarHBondContact N-O 2.91Å; D150-N153 PolarHBondContact O-N 3.4Å
151E67.3Low76.1Confident202 Ų20274.3 Ų74.394%0.94441%0.405SS*.SBendtrans-57.9-26.9175.9-68.3-176.3176.600112.5
152S68.9Low75.4Confident86 Ų8675 Ų7560%0.60139%0.394SS*.SBendtrans-103.4-16.3-178.257.10000114.7D150D150-S152 PolarHBondContact O-N 3.42Å; D150-S152 VanDerWaalsContact O-N 3.16Å
153N72.9Confident75.3Confident27 Ų2776.2 Ų76.214%0.14439%0.388CS..  trans-129.4111-165-80.4-50.8000113.2L112 E115 I149 D150L112-N153 HydrophobicContact CD2-CB 3.85Å; L112-N153 WeakPolarHBondContact CD2-ND2 3.44Å; E115-N153 PolarHBondContact OE2-ND2 2.89Å; I149-N153 PolarHBondContact N-O 2.87Å; D150-N153 HydrophobicContact CB-CB 4.35Å; D150-N153 PolarHBondContact N-O 2.91Å; D150-N153 PolarHBondContact O-N 3.4Å
154T80.6Confident75.1Confident68 Ų6880.9 Ų80.942%0.41742%0.416SS..EExtended strand (participates in β ladder)trans-114.5120.1173.858.70000111.3P148 H156P148-T154 HydrophobicContact CB-CG2 4.02Å; T154-H156 PolarHBondContact O-CD2 3.11Å; T154-H156 PolarHBondContact OG1-NE2 3.12Å
155I81.3Confident74.7Confident6 Ų680.7 Ų80.73%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-83.9122176-60-167.7000109L105 Y108 T146 L147 I149 L157L105-I155 HydrophobicContact CD2-CD1 4.08Å; L105-I155 HydrophobicContact CD2-CG2 3.9Å; Y108-I155 HydrophobicContact CD1-CG1 4.37Å; Y108-I155 HydrophobicContact CD2-CB 4.48Å; Y108-I155 HydrophobicContact CD2-CD1 4.47Å; Y108-I155 HydrophobicContact CD2-CG1 4.24Å; Y108-I155 HydrophobicContact CD2-CG2 3.86Å; Y108-I155 HydrophobicContact CE2-CG2 3.91Å; Y108-I155 HydrophobicContact CG-CD1 4.3Å; Y108-I155 HydrophobicContact CG-CG1 4.09Å; T146-I155 CarbonylContact C-O 3.41Å; T146-I155 WeakPolarHBondContact CA-O 3.34Å; L147-I155 PolarHBondContact N-O 3.49Å; L147-I155 PolarHBondContact O-N 3.48Å; I149-I155 HydrophobicContact CD1-CD1 3.25Å; I149-I155 HydrophobicContact CD1-CG1 3.72Å; I149-I155 HydrophobicContact CG1-CD1 4.31Å; I149-I155 HydrophobicContact CG1-CG1 4.35Å; I155-L157 HydrophobicContact CG2-CD1 4.17Å; I155-L157 HydrophobicContact CG2-CD2 3.83Å; I155-L157 HydrophobicContact CG2-CG 3.76Å
156H82.7Confident74.7Confident88 Ų8881.6 Ų81.641%0.40743%0.432SS..EExtended strand (participates in β ladder)trans-113.7114.2173.8-59.8-77.2000110.6K104 T146 T154K104-H156 PolarHBondContact NZ-O 3.08Å; T146-H156 VanDerWaalsContact CG2-ND1 3.34Å; T146-H156 WeakPolarHBondContact CG2-ND1 3.14Å; T154-H156 PolarHBondContact O-CD2 3.11Å; T154-H156 PolarHBondContact OG1-NE2 3.12Å
157L79.5Confident74.3Confident9 Ų981 Ų815%0.04743%0.43CS..EExtended strand (participates in β ladder)trans-118.9140.5177.3-52.1175.5000110.1I101 K104 L105 L135 R144 C145 I155I101-L157 HydrophobicContact CG2-CB 4.29Å; I101-L157 HydrophobicContact CG2-CD1 3.87Å; I101-L157 HydrophobicContact CG2-CD2 4.01Å; I101-L157 HydrophobicContact CG2-CG 4.26Å; K104-L157 HydrophobicContact CD-CD2 4.33Å; L105-L157 HydrophobicContact CD1-CD1 3.92Å; L105-L157 HydrophobicContact CD2-CD1 3.79Å; L105-L157 HydrophobicContact CD2-CD2 4.09Å; L105-L157 HydrophobicContact CD2-CG 4.44Å; L105-L157 HydrophobicContact CG-CD1 3.9Å; L105-L157 HydrophobicContact CG-CD2 3.99Å; L135-L157 HydrophobicContact CD2-CD1 3.39Å; R144-L157 WeakPolarHBondContact CA-O 2.93Å; C145-L157 HydrophobicContact CB-CB 4.32Å; C145-L157 PolarHBondContact N-O 2.99Å; C145-L157 PolarHBondContact O-N 3.48Å; I155-L157 HydrophobicContact CG2-CD1 4.17Å; I155-L157 HydrophobicContact CG2-CD2 3.83Å; I155-L157 HydrophobicContact CG2-CG 3.76Å
158K81.9Confident74.1Confident125 Ų12584.3 Ų84.354%0.54345%0.45SS..EExtended strand (participates in β ladder)trans-141.2125173.2178.4174.2179.7-174.30108R144 I160R144-K158 HydrophobicContact CG-CG 4.23Å; K158-I160 PolarHBondContact O-N 3.02Å
159V79.1Confident73.9Confident38 Ų3879.7 Ų79.723%0.2342%0.421CS..  trans-70.4118.6170.7-175.90000107.5A97 I101 L139 G143A97-V159 HydrophobicContact CB-CG1 4Å; I101-V159 HydrophobicContact CD1-CB 4.23Å; I101-V159 HydrophobicContact CD1-CG2 3.63Å; L139-V159 HydrophobicContact CD2-CG2 3.84Å; G143-V159 WeakPolarHBondContact O-CG2 3.27Å; G143-V159 PolarHBondContact O-N 3.31Å
160I75.2Confident73.9Confident110 Ų11081.3 Ų81.356%0.56443%0.427SS*.  trans-100.1116.3176.1-58.9174000107A97 K158 Q162A97-I160 VanDerWaalsContact CB-O 3.28Å; A97-I160 WeakPolarHBondContact CB-O 3.39Å; K158-I160 PolarHBondContact O-N 3.02Å; I160-Q162 PolarHBondContact O-N 2.94Å; I160-Q162 VanDerWaalsContact O-N 3.08Å
161E68.8Low73.9Confident140 Ų14080.6 Ų80.665%0.65442%0.421SS*.  trans-66.2107.9171-68.5-178.6176.200109.3R163E161-R163 PolarHBondContact O-N 2.81Å; E161-R163 VanDerWaalsContact O-N 3.11Å
162Q66.4Low73.9Confident100 Ų10072.2 Ų72.247%0.46738%0.381SS..  trans-72.5103.4168.6-77.5-173.2-10.400109.1I160I160-Q162 PolarHBondContact O-N 2.94Å; I160-Q162 VanDerWaalsContact O-N 3.08Å
163R69.1Low74Confident90 Ų9069.2 Ų69.234%0.3436%0.358SS..PPolyproline II helixtrans-80.1150.2171-66.3-178-178.7-173.82.5109.8E161 Y229 Y230E161-R163 PolarHBondContact O-N 2.81Å; E161-R163 VanDerWaalsContact O-N 3.11Å; R163-Y229 HydrophobicContact CB-CD2 4.16Å; R163-Y229 HydrophobicContact CB-CE1 4.46Å; R163-Y229 HydrophobicContact CB-CE2 3.64Å; R163-Y229 WeakPolarHBondContact CD-O 3.27Å; R163-Y229 PolarHBondContact N-OH 2.75Å; R163-Y229 PolarHBondContact NH1-O 3.13Å; R163-Y229 VanDerWaalsContact NH1-O 3.13Å; R163-Y229 WeakPolarHBondContact O-CE2 3.41Å; R163-Y229 PolarHBondContact O-OH 3.28Å; R163-Y230 PolarHBondContact NH1-O 3.35Å
164P69.9Low74Confident115 Ų11568.1 Ų68.175%0.74735%0.353SS*.PPolyproline II helixtrans-60.6150.2173.827.7-34.8000110.2
165D69.9Low73.7Confident149 Ų14964.9 Ų64.980%0.79733%0.333SS*.PPolyproline II helixtrans-58.2132.6176.7-65.2-41.4000109.9
166P75.9Confident73.3Confident24 Ų2464.8 Ų64.816%0.15633%0.333CS..PPolyproline II helixtrans-71.5147-17733.4-33.9000109Q225 L228 Y229P166-Q225 HydrophobicContact CB-CG 4.16Å; P166-Q225 HydrophobicContact CG-CG 3.45Å; P166-Q225 VanDerWaalsContact CG-CG 3.45Å; P166-L228 HydrophobicContact CB-CB 4.3Å; P166-L228 HydrophobicContact CB-CD2 4.05Å; P166-L228 HydrophobicContact CB-CG 4Å; P166-Y229 HydrophobicContact CG-CD2 4.31Å
167P73.1Confident72.8Confident91 Ų9162 Ų6259%0.59132%0.32SS*.PPolyproline II helixtrans-61.2151.3171.928-33.8000110.2A169 L228P167-A169 PolarHBondContact O-N 2.86Å; P167-L228 HydrophobicContact CG-CD2 3.73Å
168V72.9Confident72.2Confident83 Ų8365 Ų6550%0.50334%0.338SS..PPolyproline II helixtrans-67.4120-179.8-179.20000109.2Q170V168-Q170 PolarHBondContact O-N 2.71Å
169A74Confident71.4Confident1 Ų163.8 Ų63.81%0.00833%0.333CS..PPolyproline II helixtrans-66.1123173.700000110P167 R221 I224 L235P167-A169 PolarHBondContact O-N 2.86Å; A169-R221 HydrophobicContact CB-CG 4.14Å; A169-R221 WeakPolarHBondContact O-CD 3.3Å; A169-R221 VanDerWaalsContact O-CG 3.3Å; A169-R221 WeakPolarHBondContact O-CG 3.28Å; A169-I224 HydrophobicContact CB-CG2 4.19Å; A169-L235 HydrophobicContact CB-CD1 3.79Å; A169-L235 HydrophobicContact CB-CD2 4.18Å
170Q72.6Confident70.6Confident75 Ų7567.1 Ų67.135%0.3535%0.349SS..PPolyproline II helixtrans-89.5160175.8-57.9-65.7-36.700110.5V168 Y172 D173 V206V168-Q170 PolarHBondContact O-N 2.71Å; Q170-Y172 HydrophobicContact CB-CD1 4.01Å; Q170-Y172 HydrophobicContact CB-CD2 4.34Å; Q170-Y172 HydrophobicContact CB-CE1 3.44Å; Q170-Y172 VanDerWaalsContact CB-CE1 3.44Å; Q170-Y172 HydrophobicContact CB-CE2 3.87Å; Q170-Y172 HydrophobicContact CB-CG 4.43Å; Q170-Y172 VanDerWaalsContact CB-CZ 3.41Å; Q170-Y172 HydrophobicContact CG-CE1 4.08Å; Q170-Y172 HydrophobicContact CG-CE2 4.39Å; Q170-Y172 WeakPolarHBondContact CG-OH 3.17Å; Q170-Y172 PolarHBondContact O-N 2.8Å; Q170-D173 WeakPolarHBondContact CB-OD2 3.44Å; Q170-D173 PolarHBondContact N-OD2 3.45Å; Q170-D173 WeakPolarHBondContact O-CB 3Å; Q170-D173 PolarHBondContact O-N 2.94Å; Q170-D173 VanDerWaalsContact O-N 3.13Å; Q170-V206 WeakPolarHBondContact O-CG2 3.16Å
171E68.9Low70.1Confident65 Ų6565.8 Ų65.830%0.30434%0.34SS..THydrogen-bonded Turntrans-67.1-26.6-172.3-47.7-171.9171.300113.3V206 Q207 L217E171-V206 WeakPolarHBondContact O-CB 3.22Å; E171-V206 PolarHBondContact O-N 3.22Å; E171-Q207 HydrophobicContact CB-CG 3.81Å; E171-Q207 PolarHBondContact O-N 2.92Å; E171-Q207 PolarHBondContact OE2-NE2 3.42Å; E171-L217 HydrophobicContact CG-CD1 4.39Å; E171-L217 HydrophobicContact CG-CD2 3.98Å
172Y68.6Low69.6Low26 Ų2667 Ų6710%0.10235%0.345CS..THydrogen-bonded Turntrans-92.1-1.7179.152.1-93.1000113.3Q170 D352 E353Q170-Y172 HydrophobicContact CB-CD1 4.01Å; Q170-Y172 HydrophobicContact CB-CD2 4.34Å; Q170-Y172 HydrophobicContact CB-CE1 3.44Å; Q170-Y172 VanDerWaalsContact CB-CE1 3.44Å; Q170-Y172 HydrophobicContact CB-CE2 3.87Å; Q170-Y172 HydrophobicContact CB-CG 4.43Å; Q170-Y172 VanDerWaalsContact CB-CZ 3.41Å; Q170-Y172 HydrophobicContact CG-CE1 4.08Å; Q170-Y172 HydrophobicContact CG-CE2 4.39Å; Q170-Y172 WeakPolarHBondContact CG-OH 3.17Å; Q170-Y172 PolarHBondContact O-N 2.8Å; Y172-D352 HydrophobicContact CD2-CB 4.21Å; Y172-D352 HydrophobicContact CG-CB 4.12Å; Y172-E353 HydrophobicContact CD1-CG 4.06Å; Y172-E353 HydrophobicContact CE1-CB 4.37Å; Y172-E353 HydrophobicContact CE1-CG 3.2Å; Y172-E353 PolarHBondContact OH-OE1 2.77Å
173D71.4Confident69.4Low23 Ų2367.8 Ų67.812%0.12335%0.353CS..EExtended strand (participates in β ladder)trans-74.7149.2175.8-67.4-32.3000110.7Q170 H205 V206 L235Q170-D173 WeakPolarHBondContact CB-OD2 3.44Å; Q170-D173 PolarHBondContact N-OD2 3.45Å; Q170-D173 WeakPolarHBondContact O-CB 3Å; Q170-D173 PolarHBondContact O-N 2.94Å; Q170-D173 VanDerWaalsContact O-N 3.13Å; D173-H205 VanDerWaalsContact O-CA 3.31Å; D173-H205 WeakPolarHBondContact O-CA 3.12Å; D173-V206 WeakPolarHBondContact O-CG2 3.3Å; D173-V206 PolarHBondContact O-N 3.46Å; D173-V206 VanDerWaalsContact O-N 3.11Å; D173-L235 HydrophobicContact CB-CB 4.27Å; D173-L235 HydrophobicContact CB-CD2 3.93Å; D173-L235 HydrophobicContact CB-CG 4.5Å
174V72.4Confident69.2Low4 Ų466.1 Ų66.12%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-110.3111.7178.9177.70000108V176 G202 R204 H205 V236 I238V174-V176 HydrophobicContact CG1-CG2 4.33Å; V174-V176 PolarHBondContact O-N 3.35Å; V174-G202 WeakPolarHBondContact CG1-O 3.38Å; V174-R204 WeakPolarHBondContact CG1-O 3.37Å; V174-H205 HydrophobicContact CG2-CB 4.24Å; V174-V236 WeakPolarHBondContact CA-O 3.47Å; V174-V236 WeakPolarHBondContact CB-O 3.34Å; V174-V236 PolarHBondContact N-O 3.1Å; V174-V236 PolarHBondContact O-N 3.13Å; V174-I238 HydrophobicContact CG2-CB 4.19Å; V174-I238 HydrophobicContact CG2-CG1 4.37Å
175P73.8Confident69.1Low0 Ų068.6 Ų68.60%035%0.347CS..EExtended strand (participates in β ladder)trans-69130.4172.428.4-33.9000109.6I200 G202 I209 I224 V233P175-I200 HydrophobicContact CB-CD1 4.43Å; P175-I200 HydrophobicContact CB-CG1 4.45Å; P175-I200 HydrophobicContact CB-CG2 4.09Å; P175-I200 HydrophobicContact CG-CD1 4.4Å; P175-I200 HydrophobicContact CG-CG1 3.98Å; P175-I200 HydrophobicContact CG-CG2 4.08Å; P175-I200 WeakPolarHBondContact O-CG2 3.32Å; P175-G202 WeakPolarHBondContact O-CA 3.46Å; P175-I209 HydrophobicContact CG-CD1 3.5Å; P175-I224 HydrophobicContact CB-CD1 4.33Å; P175-I224 HydrophobicContact CB-CG2 4.2Å; P175-I224 HydrophobicContact CG-CD1 3.9Å; P175-V233 HydrophobicContact CB-CG1 3.29Å
176V73.9Confident68.8Low5 Ų566.5 Ų66.53%0.0334%0.336CS..EExtended strand (participates in β ladder)trans-126.7138.9170.3-158.90000110.7V174 V233 T234 V236 Q315 M319V174-V176 HydrophobicContact CG1-CG2 4.33Å; V174-V176 PolarHBondContact O-N 3.35Å; V176-V233 CarbonylContact O-C 3.57Å; V176-V233 VanDerWaalsContact O-CA 3.27Å; V176-V233 WeakPolarHBondContact O-CA 3.1Å; V176-T234 PolarHBondContact N-O 2.82Å; V176-T234 PolarHBondContact O-N 3.14Å; V176-T234 PolarHBondContact O-OG1 2.84Å; V176-V236 HydrophobicContact CG2-CB 4.04Å; V176-V236 HydrophobicContact CG2-CG2 3.79Å; V176-Q315 HydrophobicContact CG1-CG 4.27Å; V176-Q315 HydrophobicContact CG2-CG 4.09Å; V176-M319 HydrophobicContact CB-CE 3.25Å; V176-M319 HydrophobicContact CG1-CE 2.96Å; V176-M319 HydrophobicContact CG2-CE 4.09Å
177F72.5Confident68.3Low30 Ų3070.9 Ų70.913%0.13237%0.367CS..EExtended strand (participates in β ladder)trans-69.5131.1176.1-72.7-74.7000111.7K181 L197 I200 V232 V233 M319F177-K181 HydrophobicContact CD2-CD 4.42Å; F177-K181 HydrophobicContact CD2-CG 4.27Å; F177-K181 HydrophobicContact CE2-CD 4.26Å; F177-K181 HydrophobicContact CE2-CG 4.3Å; F177-K181 HydrophobicContact CG-CG 4.44Å; F177-L197 HydrophobicContact CE1-CD1 4.28Å; F177-L197 HydrophobicContact CZ-CD1 4.05Å; F177-L197 HydrophobicContact CZ-CG 3.81Å; F177-I200 HydrophobicContact CD2-CB 4.3Å; F177-I200 HydrophobicContact CD2-CG2 3.59Å; F177-I200 HydrophobicContact CE2-CB 3.39Å; F177-I200 HydrophobicContact CE2-CD1 4.33Å; F177-I200 HydrophobicContact CE2-CG1 4.46Å; F177-I200 HydrophobicContact CE2-CG2 3.14Å; F177-I200 WeakPolarHBondContact CE2-O 3.49Å; F177-I200 HydrophobicContact CZ-CB 3.88Å; F177-I200 HydrophobicContact CZ-CD1 3.93Å; F177-I200 HydrophobicContact CZ-CG2 3.79Å; F177-V232 WeakPolarHBondContact CA-O 3.48Å; F177-V232 HydrophobicContact CD1-CG1 3.84Å; F177-V232 HydrophobicContact CE1-CG1 3.81Å; F177-V233 HydrophobicContact CD1-CG2 4Å; F177-V233 HydrophobicContact CE1-CG2 3.84Å; F177-V233 HydrophobicContact CZ-CG2 4.43Å; F177-M319 WeakPolarHBondContact O-CE 3.48Å
178T66Low68.3Low71 Ų7174.5 Ų74.544%0.43638%0.376SS..SBendtrans-95.6-17.3169.746.80000112.8G231 V232 T234T178-G231 PolarHBondContact OG1-O 3.34Å; T178-V232 PolarHBondContact N-O 3.31Å; T178-V232 VanDerWaalsContact N-O 3.12Å; T178-V232 PolarHBondContact OG1-O 2.98Å; T178-T234 HydrophobicContact CG2-CG2 3.33Å; T178-T234 WeakPolarHBondContact CG2-OG1 3.14Å
179K65.7Low68.4Low100 Ų10073 Ų7344%0.43536%0.362SS..SBendtrans-122.7148.3177.8-66-176.7174.8-171.90109.4F184K179-F184 HydrophobicContact CB-CE2 3.95Å; K179-F184 HydrophobicContact CB-CZ 4.21Å; K179-F184 HydrophobicContact CD-CE2 4.47Å; K179-F184 HydrophobicContact CD-CZ 3.91Å
180D62.6Low68.8Low107 Ų10778.4 Ų78.457%0.57239%0.39SS*.  trans-66.5141.4-179.2-64.4-53.1000110.9E182 D183 F184D180-E182 HydrophobicContact CB-CG 3.95Å; D180-E182 PolarHBondContact O-N 3.44Å; D180-D183 PolarHBondContact O-N 2.91Å; D180-F184 WeakPolarHBondContact O-CD2 3.49Å
181K63Low69.1Low83 Ų8381.2 Ų81.236%0.36141%0.407SS..G310 helixtrans-63.5-22.6-177.7-65.3176.3177.9-174.20112.2F177 L197 I200F177-K181 HydrophobicContact CD2-CD 4.42Å; F177-K181 HydrophobicContact CD2-CG 4.27Å; F177-K181 HydrophobicContact CE2-CD 4.26Å; F177-K181 HydrophobicContact CE2-CG 4.3Å; F177-K181 HydrophobicContact CG-CG 4.44Å; K181-L197 HydrophobicContact CD-CD2 4.21Å; K181-L197 HydrophobicContact CG-CD2 4.47Å; K181-L197 PolarHBondContact NZ-O 3.16Å; K181-I200 PolarHBondContact NZ-O 3.32Å
182E59.5Low69.7Low166 Ų16680.9 Ų80.978%0.77641%0.409SS*.G310 helixtrans-80.3-16.1-174.959.8-174.3-175.200114.4D180 F184D180-E182 HydrophobicContact CB-CG 3.95Å; D180-E182 PolarHBondContact O-N 3.44Å; E182-F184 PolarHBondContact O-N 2.98Å
183D61.7Low70.3Confident116 Ų11680.2 Ų80.262%0.6241%0.408SS*.G310 helixtrans-74.8-9.3176.3-74.9-25.3000113.1D180D180-D183 PolarHBondContact O-N 2.91Å
184F65.1Low70.7Confident55 Ų5583 Ų8324%0.24142%0.42CS..SBendtrans-113.2135.6-173-58.7-81.9000112.4K179 D180 E182 N186 W189 V232K179-F184 HydrophobicContact CB-CE2 3.95Å; K179-F184 HydrophobicContact CB-CZ 4.21Å; K179-F184 HydrophobicContact CD-CE2 4.47Å; K179-F184 HydrophobicContact CD-CZ 3.91Å; D180-F184 WeakPolarHBondContact O-CD2 3.49Å; E182-F184 PolarHBondContact O-N 2.98Å; F184-N186 PolarHBondContact O-N 3.5Å; F184-N186 VanDerWaalsContact O-N 3.11Å; F184-N186 PolarHBondContact O-OD1 3.05Å; F184-W189 HydrophobicContact CB-CZ2 3.79Å; F184-W189 AromaticContact CD1-CZ2 3.68Å; F184-W189 HydrophobicContact CD1-CZ2 3.68Å; F184-W189 HydrophobicContact CD2-CZ2 4.35Å; F184-W189 HydrophobicContact CE1-CZ2 4.31Å; F184-W189 AromaticContact CG-CZ2 3.69Å; F184-W189 HydrophobicContact CG-CZ2 3.69Å; F184-V232 HydrophobicContact CE1-CG2 4.3Å; F184-V232 HydrophobicContact CE2-CG1 4.23Å; F184-V232 HydrophobicContact CZ-CG1 4.3Å; F184-V232 HydrophobicContact CZ-CG2 3.94Å
185F67.7Low71.1Confident166 Ų16687.7 Ų87.773%0.72844%0.442SS*.  trans-73.7102175.6-67.8-79.8000111.1S187 Q188F185-S187 PolarHBondContact O-N 3.37Å; F185-Q188 PolarHBondContact O-N 2.87Å
186N63Low71.5Confident105 Ų10587.7 Ų87.756%0.56144%0.442SS*.G310 helixtrans-47.7-32.4179.9-69.545.1000114.1F184 Q188 W189 Q194F184-N186 PolarHBondContact O-N 3.5Å; F184-N186 VanDerWaalsContact O-N 3.11Å; F184-N186 PolarHBondContact O-OD1 3.05Å; N186-Q188 VanDerWaalsContact C-N 3.34Å; N186-Q188 PolarHBondContact O-N 3.42Å; N186-W189 PolarHBondContact O-N 2.99Å; N186-Q194 PolarHBondContact O-NE2 3.35Å; N186-Q194 VanDerWaalsContact O-NE2 3.07Å
187S65.6Low71.7Confident117 Ų11788.8 Ų88.882%0.81845%0.448SS*.G310 helixtrans-73-18.1-178.5-170.60000115.1F185F185-S187 PolarHBondContact O-N 3.37Å
188Q73.3Confident72Confident166 Ų16691.2 Ų91.278%0.77647%0.466SS*.G310 helixtrans-92.8-5.4-179.1-168.2163.925.900112.7F185 N186F185-Q188 PolarHBondContact O-N 2.87Å; N186-Q188 VanDerWaalsContact C-N 3.34Å; N186-Q188 PolarHBondContact O-N 3.42Å
189W76.2Confident72.6Confident53 Ų5391.6 Ų91.620%0.20146%0.46CS..SBendtrans-81.5147.2179.8-72.193.1000111.9F184 N186 T193 Q194 L227 V232F184-W189 HydrophobicContact CB-CZ2 3.79Å; F184-W189 AromaticContact CD1-CZ2 3.68Å; F184-W189 HydrophobicContact CD1-CZ2 3.68Å; F184-W189 HydrophobicContact CD2-CZ2 4.35Å; F184-W189 HydrophobicContact CE1-CZ2 4.31Å; F184-W189 AromaticContact CG-CZ2 3.69Å; F184-W189 HydrophobicContact CG-CZ2 3.69Å; N186-W189 PolarHBondContact O-N 2.99Å; W189-T193 WeakPolarHBondContact CB-OG1 3.46Å; W189-T193 HydrophobicContact CE3-CG2 4.31Å; W189-Q194 HydrophobicContact CB-CG 3.79Å; W189-Q194 PolarHBondContact O-NE2 2.94Å; W189-L227 HydrophobicContact CE3-CD2 4.45Å; W189-L227 HydrophobicContact CH2-CD2 3.82Å; W189-L227 HydrophobicContact CZ3-CD2 3.43Å; W189-L227 VanDerWaalsContact CZ3-CD2 3.43Å; W189-V232 HydrophobicContact CH2-CG1 4.48Å; W189-V232 HydrophobicContact CH2-CG2 4.29Å
190D81.2Confident73Confident113 Ų11386.9 Ų86.960%0.60444%0.44SS*.  trans-61.9148.3172.6-65-31.8000110.9T192 T193 Q194D190-T192 PolarHBondContact O-N 2.93Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T193 HydrophobicContact CB-CG2 4.46Å; D190-T193 PolarHBondContact N-OG1 3.47Å; D190-T193 VanDerWaalsContact N-OG1 3.14Å; D190-T193 PolarHBondContact O-N 2.98Å; D190-T193 PolarHBondContact O-OG1 3.04Å; D190-Q194 WeakPolarHBondContact O-CG 3.33Å; D190-Q194 PolarHBondContact O-N 3.35Å
191L80.1Confident73.2Confident135 Ų13586.6 Ų86.671%0.70744%0.438SS*.Hα-helixtrans-53.5-39.8-179.2-66172.4000112.7Q194 Q195L191-Q194 PolarHBondContact O-N 3.34Å; L191-Q195 WeakPolarHBondContact O-CG 3.42Å; L191-Q195 PolarHBondContact O-N 3.46Å
192T80.3Confident73.3Confident57 Ų5782.9 Ų82.935%0.3542%0.424SS..Hα-helixtrans-63.8-43.2177.352.90000111.7D190 Q195 I196D190-T192 PolarHBondContact O-N 2.93Å; D190-T192 VanDerWaalsContact O-N 3.16Å; T192-Q195 PolarHBondContact O-N 3.5Å; T192-I196 WeakPolarHBondContact O-CB 3.1Å; T192-I196 WeakPolarHBondContact O-CD1 3.36Å; T192-I196 WeakPolarHBondContact O-CG1 3.01Å; T192-I196 PolarHBondContact O-N 3.25Å
193T80.8Confident73.4Confident12 Ų1278.4 Ų78.47%0.07440%0.402CS..Hα-helixtrans-67.8-36.917756.80000111.9W189 D190 Q195 I196 L197W189-T193 WeakPolarHBondContact CB-OG1 3.46Å; W189-T193 HydrophobicContact CE3-CG2 4.31Å; D190-T193 HydrophobicContact CB-CG2 4.46Å; D190-T193 PolarHBondContact N-OG1 3.47Å; D190-T193 VanDerWaalsContact N-OG1 3.14Å; D190-T193 PolarHBondContact O-N 2.98Å; D190-T193 PolarHBondContact O-OG1 3.04Å; T193-Q195 VanDerWaalsContact C-N 3.33Å; T193-Q195 PolarHBondContact O-N 2.88Å; T193-I196 PolarHBondContact O-N 3.41Å; T193-L197 WeakPolarHBondContact O-CB 3.21Å; T193-L197 PolarHBondContact O-N 3.42Å
194Q81Confident73.7Confident82 Ų8275.9 Ų75.938%0.38338%0.383SS..Hα-helixtrans-64.7-36174.9-67.1-178.41900112.6N186 W189 D190 L191 P198N186-Q194 PolarHBondContact O-NE2 3.35Å; N186-Q194 VanDerWaalsContact O-NE2 3.07Å; W189-Q194 HydrophobicContact CB-CG 3.79Å; W189-Q194 PolarHBondContact O-NE2 2.94Å; D190-Q194 WeakPolarHBondContact O-CG 3.33Å; D190-Q194 PolarHBondContact O-N 3.35Å; L191-Q194 PolarHBondContact O-N 3.34Å; Q194-P198 WeakPolarHBondContact O-CD 3.46Å
195Q80.1Confident74.1Confident103 Ų10374.5 Ų74.548%0.48138%0.378SS..Hα-helixtrans-72.5-37.1176.2-74.2177.2-12.500112.4L191 T192 T193 P198 Y199L191-Q195 WeakPolarHBondContact O-CG 3.42Å; L191-Q195 PolarHBondContact O-N 3.46Å; T192-Q195 PolarHBondContact O-N 3.5Å; T193-Q195 VanDerWaalsContact C-N 3.33Å; T193-Q195 PolarHBondContact O-N 2.88Å; Q195-P198 WeakPolarHBondContact O-CD 3.13Å; Q195-Y199 WeakPolarHBondContact O-CD2 3.46Å; Q195-Y199 WeakPolarHBondContact O-CE2 3.46Å
196I82.6Confident74.5Confident0 Ų066.6 Ų66.60%034%0.343CS..Hα-helixtrans-78-36.4-177.4-68.2164.7000111.9T192 T193 Y199 I200 I209 V220 A223T192-I196 WeakPolarHBondContact O-CB 3.1Å; T192-I196 WeakPolarHBondContact O-CD1 3.36Å; T192-I196 WeakPolarHBondContact O-CG1 3.01Å; T192-I196 PolarHBondContact O-N 3.25Å; T193-I196 PolarHBondContact O-N 3.41Å; I196-Y199 PolarHBondContact O-N 3.19Å; I196-I200 HydrophobicContact CG2-CD1 3.69Å; I196-I200 HydrophobicContact CG2-CG1 3.91Å; I196-I200 PolarHBondContact O-N 3.46Å; I196-I209 HydrophobicContact CG2-CG2 3.86Å; I196-V220 HydrophobicContact CD1-CB 4.27Å; I196-V220 HydrophobicContact CD1-CG1 4.08Å; I196-V220 HydrophobicContact CD1-CG2 4.07Å; I196-V220 HydrophobicContact CG1-CG1 4.46Å; I196-V220 HydrophobicContact CG1-CG2 4.43Å; I196-A223 HydrophobicContact CD1-CB 3.65Å
197L78.4Confident75.2Confident28 Ų2864.1 Ų64.115%0.14733%0.328CS..THydrogen-bonded Turntrans-60-36-171.1-170.9140000115.7F177 K181 T193 Y199 I200F177-L197 HydrophobicContact CE1-CD1 4.28Å; F177-L197 HydrophobicContact CZ-CD1 4.05Å; F177-L197 HydrophobicContact CZ-CG 3.81Å; K181-L197 HydrophobicContact CD-CD2 4.21Å; K181-L197 HydrophobicContact CG-CD2 4.47Å; K181-L197 PolarHBondContact NZ-O 3.16Å; T193-L197 WeakPolarHBondContact O-CB 3.21Å; T193-L197 PolarHBondContact O-N 3.42Å; L197-Y199 VanDerWaalsContact C-N 3.26Å; L197-Y199 PolarHBondContact O-N 3.41Å; L197-I200 PolarHBondContact O-N 3.25Å
198P79.3Confident75.8Confident80 Ų8063.9 Ų63.952%0.51931%0.312SS..THydrogen-bonded Turntrans-61.1-34.6171.2-2534.4000112.9Q194 Q195Q194-P198 WeakPolarHBondContact O-CD 3.46Å; Q195-P198 WeakPolarHBondContact O-CD 3.13Å
199Y77.6Confident76.2Confident79 Ų7956 Ų5631%0.3128%0.275SS..THydrogen-bonded Turntrans-85.4-14.6-176.5-58.6-70.1000113.3Q195 I196 L197 D201 R204 E212 A213Q195-Y199 WeakPolarHBondContact O-CD2 3.46Å; Q195-Y199 WeakPolarHBondContact O-CE2 3.46Å; I196-Y199 PolarHBondContact O-N 3.19Å; L197-Y199 VanDerWaalsContact C-N 3.26Å; L197-Y199 PolarHBondContact O-N 3.41Å; Y199-D201 PolarHBondContact O-N 3.41Å; Y199-R204 PolarHBondContact O-NE 2.88Å; Y199-R204 PolarHBondContact O-NH2 2.83Å; Y199-E212 HydrophobicContact CD1-CB 3.85Å; Y199-E212 VanDerWaalsContact CD1-OE2 3.28Å; Y199-E212 WeakPolarHBondContact CD1-OE2 3.31Å; Y199-E212 HydrophobicContact CE1-CB 3.91Å; Y199-E212 HydrophobicContact CG-CB 4.32Å; Y199-E212 PolarHBondContact OH-O 3.26Å; Y199-A213 HydrophobicContact CD2-CB 3.98Å; Y199-A213 HydrophobicContact CE2-CB 4.09Å
200I73.8Confident76.5Confident1 Ų154.3 Ų54.31%0.00527%0.272CS..  trans-76.394.4171.4-60.4171.1000108.8P175 F177 K181 I196 L197 I209 L227P175-I200 HydrophobicContact CB-CD1 4.43Å; P175-I200 HydrophobicContact CB-CG1 4.45Å; P175-I200 HydrophobicContact CB-CG2 4.09Å; P175-I200 HydrophobicContact CG-CD1 4.4Å; P175-I200 HydrophobicContact CG-CG1 3.98Å; P175-I200 HydrophobicContact CG-CG2 4.08Å; P175-I200 WeakPolarHBondContact O-CG2 3.32Å; F177-I200 HydrophobicContact CD2-CB 4.3Å; F177-I200 HydrophobicContact CD2-CG2 3.59Å; F177-I200 HydrophobicContact CE2-CB 3.39Å; F177-I200 HydrophobicContact CE2-CD1 4.33Å; F177-I200 HydrophobicContact CE2-CG1 4.46Å; F177-I200 HydrophobicContact CE2-CG2 3.14Å; F177-I200 WeakPolarHBondContact CE2-O 3.49Å; F177-I200 HydrophobicContact CZ-CB 3.88Å; F177-I200 HydrophobicContact CZ-CD1 3.93Å; F177-I200 HydrophobicContact CZ-CG2 3.79Å; K181-I200 PolarHBondContact NZ-O 3.32Å; I196-I200 HydrophobicContact CG2-CD1 3.69Å; I196-I200 HydrophobicContact CG2-CG1 3.91Å; I196-I200 PolarHBondContact O-N 3.46Å; L197-I200 PolarHBondContact O-N 3.25Å; I200-I209 HydrophobicContact CG1-CD1 4.17Å; I200-L227 HydrophobicContact CD1-CD1 4.13Å
201D66.1Low76.6Confident102 Ų10252.7 Ų52.755%0.54527%0.274SS..  trans-111.16.2176.9-166.132000112Y199 F203Y199-D201 PolarHBondContact O-N 3.41Å; D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 WeakPolarHBondContact O-CD2 3.31Å; D201-F203 PolarHBondContact O-N 3.3Å
202G65.7Low76.7Confident5 Ų550.3 Ų50.35%0.05226%0.26CS..SBendtrans76.95.1176.500000116.3V174 P175 Q315V174-G202 WeakPolarHBondContact CG1-O 3.38Å; P175-G202 WeakPolarHBondContact O-CA 3.46Å; G202-Q315 VanDerWaalsContact CA-NE2 3.31Å; G202-Q315 PolarHBondContact O-NE2 3.15Å
203F61.8Low76.8Confident71 Ų7148.3 Ų48.331%0.31125%0.249SC..SBendtrans-124.2-20.6173.9-62.4-67.9000114.3D201 R311 K312D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 WeakPolarHBondContact O-CD2 3.31Å; D201-F203 PolarHBondContact O-N 3.3Å; F203-R311 HydrophobicContact CD1-CB 4.39Å; F203-R311 HydrophobicContact CE1-CB 3.46Å; F203-R311 VanDerWaalsContact CE1-CB 3.46Å; F203-R311 HydrophobicContact CE1-CG 4.47Å; F203-R311 HydrophobicContact CZ-CB 3.69Å; F203-K312 HydrophobicContact CZ-CG 4.39Å
204R68.9Low76.9Confident63 Ų6355.1 Ų55.124%0.23829%0.285CS..SBendtrans-83.4131.4179.1-72.6-177-80-136.6-10.1110V174 Y199 K208 I209 E212V174-R204 WeakPolarHBondContact CG1-O 3.37Å; Y199-R204 PolarHBondContact O-NE 2.88Å; Y199-R204 PolarHBondContact O-NH2 2.83Å; R204-K208 HydrophobicContact CB-CB 4.32Å; R204-I209 HydrophobicContact CB-CD1 4.3Å; R204-I209 HydrophobicContact CB-CG1 3.83Å; R204-E212 VanDerWaalsContact CD-OE2 3.3Å; R204-E212 WeakPolarHBondContact CD-OE2 3.38Å; R204-E212 IonicContact CZ-OE2 3.1Å; R204-E212 IonicContact NE-OE2 2.63Å; R204-E212 IonicContact NH1-OE1 3.72Å; R204-E212 IonicContact NH1-OE2 2.87Å; R204-E212 PolarHBondContact NH1-OE2 2.88Å
205H72.8Confident77.1Confident26 Ų2652.1 Ų52.112%0.1227%0.272CS..  trans-77.7163.1173.556.8-100.7000111D173 V174 Q207 K208 I209 I238D173-H205 VanDerWaalsContact O-CA 3.31Å; D173-H205 WeakPolarHBondContact O-CA 3.12Å; V174-H205 HydrophobicContact CG2-CB 4.24Å; H205-Q207 VanDerWaalsContact C-N 3.27Å; H205-Q207 VanDerWaalsContact CD2-CB 3.46Å; H205-Q207 WeakPolarHBondContact CD2-CB 3.5Å; H205-Q207 PolarHBondContact CD2-N 3.45Å; H205-Q207 PolarHBondContact O-N 2.99Å; H205-K208 PolarHBondContact CD2-N 3.36Å; H205-K208 WeakPolarHBondContact CE1-CD 3.32Å; H205-K208 WeakPolarHBondContact CE1-CE 3.45Å; H205-K208 WeakPolarHBondContact CE1-CG 3.25Å; H205-K208 WeakPolarHBondContact NE2-CG 3.45Å; H205-K208 PolarHBondContact NE2-N 3.15Å; H205-K208 PolarHBondContact O-N 3.37Å; H205-K208 VanDerWaalsContact O-N 3.08Å; H205-I209 WeakPolarHBondContact O-CG1 3.16Å; H205-I209 PolarHBondContact O-N 3.36Å; H205-I238 HydrophobicContact CB-CD1 4.45Å
206V76.7Confident77.4Confident0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-53.2-40.3-176.8-176.20000112.9Q170 E171 D173 I209 S210 V220 I224Q170-V206 WeakPolarHBondContact O-CG2 3.16Å; E171-V206 WeakPolarHBondContact O-CB 3.22Å; E171-V206 PolarHBondContact O-N 3.22Å; D173-V206 WeakPolarHBondContact O-CG2 3.3Å; D173-V206 PolarHBondContact O-N 3.46Å; D173-V206 VanDerWaalsContact O-N 3.11Å; V206-I209 PolarHBondContact O-N 3.16Å; V206-S210 WeakPolarHBondContact O-CB 3.25Å; V206-S210 PolarHBondContact O-N 3.36Å; V206-V220 HydrophobicContact CG1-CB 4.23Å; V206-V220 HydrophobicContact CG1-CG1 3.76Å; V206-I224 HydrophobicContact CB-CD1 4.3Å; V206-I224 HydrophobicContact CG1-CD1 4Å; V206-I224 HydrophobicContact CG2-CD1 3.63Å
207Q76.8Confident77.3Confident54 Ų5454.7 Ų54.725%0.25229%0.285SS..Hα-helixtrans-63.7-43.6177.2-48.8179-27.600113.4E171 H205 I209 S210 A211 L217E171-Q207 HydrophobicContact CB-CG 3.81Å; E171-Q207 PolarHBondContact O-N 2.92Å; E171-Q207 PolarHBondContact OE2-NE2 3.42Å; H205-Q207 VanDerWaalsContact C-N 3.27Å; H205-Q207 VanDerWaalsContact CD2-CB 3.46Å; H205-Q207 WeakPolarHBondContact CD2-CB 3.5Å; H205-Q207 PolarHBondContact CD2-N 3.45Å; H205-Q207 PolarHBondContact O-N 2.99Å; Q207-I209 VanDerWaalsContact C-N 3.31Å; Q207-I209 PolarHBondContact O-N 2.9Å; Q207-S210 WeakPolarHBondContact O-CB 3.44Å; Q207-S210 PolarHBondContact O-N 2.84Å; Q207-A211 PolarHBondContact O-N 3.47Å; Q207-L217 HydrophobicContact CG-CD1 3.92Å
208K77.9Confident77.6Confident111 Ų11156.5 Ų56.548%0.48330%0.295SS..Hα-helixtrans-62.8-40.1175-93175-172.6178.50111.9R204 H205 S210 A211 E212R204-K208 HydrophobicContact CB-CB 4.32Å; H205-K208 PolarHBondContact CD2-N 3.36Å; H205-K208 WeakPolarHBondContact CE1-CD 3.32Å; H205-K208 WeakPolarHBondContact CE1-CE 3.45Å; H205-K208 WeakPolarHBondContact CE1-CG 3.25Å; H205-K208 WeakPolarHBondContact NE2-CG 3.45Å; H205-K208 PolarHBondContact NE2-N 3.15Å; H205-K208 PolarHBondContact O-N 3.37Å; H205-K208 VanDerWaalsContact O-N 3.08Å; K208-S210 VanDerWaalsContact C-N 3.34Å; K208-A211 PolarHBondContact O-N 3.28Å; K208-E212 WeakPolarHBondContact O-CG 3.29Å; K208-E212 PolarHBondContact O-N 2.84Å
209I82Confident77.8Confident0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-63.5-43.3176.1-65.7170.4000110.2P175 I196 I200 R204 H205 V206 Q207 A211 E212 A213 V220P175-I209 HydrophobicContact CG-CD1 3.5Å; I196-I209 HydrophobicContact CG2-CG2 3.86Å; I200-I209 HydrophobicContact CG1-CD1 4.17Å; R204-I209 HydrophobicContact CB-CD1 4.3Å; R204-I209 HydrophobicContact CB-CG1 3.83Å; H205-I209 WeakPolarHBondContact O-CG1 3.16Å; H205-I209 PolarHBondContact O-N 3.36Å; V206-I209 PolarHBondContact O-N 3.16Å; Q207-I209 VanDerWaalsContact C-N 3.31Å; Q207-I209 PolarHBondContact O-N 2.9Å; I209-A211 PolarHBondContact O-N 3.28Å; I209-E212 PolarHBondContact O-N 3.13Å; I209-A213 WeakPolarHBondContact O-CB 3.37Å; I209-A213 PolarHBondContact O-N 2.92Å; I209-V220 HydrophobicContact CG2-CG1 4.04Å
210S82.6Confident78.1Confident18 Ų1853 Ų5313%0.12628%0.277CS..Hα-helixtrans-60.8-42.5175.5170.40000112.2V206 Q207 K208 D214 V215 L217V206-S210 WeakPolarHBondContact O-CB 3.25Å; V206-S210 PolarHBondContact O-N 3.36Å; Q207-S210 WeakPolarHBondContact O-CB 3.44Å; Q207-S210 PolarHBondContact O-N 2.84Å; K208-S210 VanDerWaalsContact C-N 3.34Å; S210-D214 PolarHBondContact O-N 2.93Å; S210-V215 WeakPolarHBondContact CB-O 3.43Å; S210-V215 PolarHBondContact O-N 3.03Å; S210-V215 PolarHBondContact OG-O 3.16Å; S210-L217 PolarHBondContact OG-N 3.37Å
211A84Confident78.5Confident80 Ų8056.5 Ų56.566%0.66129%0.29SS*.Hα-helixtrans-67.6-3917800000113.3Q207 K208 I209Q207-A211 PolarHBondContact O-N 3.47Å; K208-A211 PolarHBondContact O-N 3.28Å; I209-A211 PolarHBondContact O-N 3.28Å
212E82Confident79.4Confident84 Ų8455.5 Ų55.539%0.39328%0.284SS..Hα-helixtrans-79.4-32.2179.7-71.1176.7-16600112.8Y199 R204 K208 I209 D214Y199-E212 HydrophobicContact CD1-CB 3.85Å; Y199-E212 VanDerWaalsContact CD1-OE2 3.28Å; Y199-E212 WeakPolarHBondContact CD1-OE2 3.31Å; Y199-E212 HydrophobicContact CE1-CB 3.91Å; Y199-E212 HydrophobicContact CG-CB 4.32Å; Y199-E212 PolarHBondContact OH-O 3.26Å; R204-E212 VanDerWaalsContact CD-OE2 3.3Å; R204-E212 WeakPolarHBondContact CD-OE2 3.38Å; R204-E212 IonicContact CZ-OE2 3.1Å; R204-E212 IonicContact NE-OE2 2.63Å; R204-E212 IonicContact NH1-OE1 3.72Å; R204-E212 IonicContact NH1-OE2 2.87Å; R204-E212 PolarHBondContact NH1-OE2 2.88Å; K208-E212 WeakPolarHBondContact O-CG 3.29Å; K208-E212 PolarHBondContact O-N 2.84Å; I209-E212 PolarHBondContact O-N 3.13Å; E212-D214 VanDerWaalsContact C-N 3.34Å
213A81.8Confident80.2Confident15 Ų1555.6 Ų55.612%0.12428%0.284CS..Hα-helixtrans-82.4-11.817700000113.2Y199 I209 V215Y199-A213 HydrophobicContact CD2-CB 3.98Å; Y199-A213 HydrophobicContact CE2-CB 4.09Å; I209-A213 WeakPolarHBondContact O-CB 3.37Å; I209-A213 PolarHBondContact O-N 2.92Å; A213-V215 HydrophobicContact CB-CB 4.47Å; A213-V215 HydrophobicContact CB-CG2 4.08Å; A213-V215 WeakPolarHBondContact O-CG2 3.37Å; A213-V215 PolarHBondContact O-N 2.99Å
214D84.1Confident81.3Confident155 Ų15552.2 Ų52.283%0.82927%0.27SS*.THydrogen-bonded Turntrans52.742.1-172.4-161.628.3000112.5S210 E212S210-D214 PolarHBondContact O-N 2.93Å; E212-D214 VanDerWaalsContact C-N 3.34Å
215V84.3Confident82Confident19 Ų1951.6 Ų51.612%0.11527%0.269CS..  trans-119.3140.5179179.80000109S210 A213 L217 L219 V220S210-V215 WeakPolarHBondContact CB-O 3.43Å; S210-V215 PolarHBondContact O-N 3.03Å; S210-V215 PolarHBondContact OG-O 3.16Å; A213-V215 HydrophobicContact CB-CB 4.47Å; A213-V215 HydrophobicContact CB-CG2 4.08Å; A213-V215 WeakPolarHBondContact O-CG2 3.37Å; A213-V215 PolarHBondContact O-N 2.99Å; V215-L217 PolarHBondContact O-N 2.9Å; V215-L219 HydrophobicContact CG1-CB 3.85Å; V215-L219 HydrophobicContact CG1-CD1 4.23Å; V215-V220 HydrophobicContact CB-CG2 3.87Å; V215-V220 HydrophobicContact CG1-CG2 3.81Å
216E85.9Confident82.5Confident117 Ų11754.2 Ų54.255%0.54728%0.284SS..  trans-54.4133.6176.9-166.5-169.6154.600112N218 L219 V220E216-N218 PolarHBondContact O-N 3.15Å; E216-N218 VanDerWaalsContact O-N 3.15Å; E216-N218 PolarHBondContact OE1-ND2 2.96Å; E216-L219 HydrophobicContact CB-CD1 4.23Å; E216-L219 HydrophobicContact CB-CG 4.29Å; E216-L219 WeakPolarHBondContact O-CB 3.35Å; E216-L219 PolarHBondContact O-N 2.89Å; E216-V220 PolarHBondContact O-N 3.37Å; E216-V220 VanDerWaalsContact O-N 3.11Å
217L80.9Confident82.8Confident40 Ų4054.5 Ų54.521%0.20929%0.286CS..Hα-helixtrans-53.3-38.7-177.1-173.7161.5000112.9E171 Q207 S210 V215 L219 V220 R221E171-L217 HydrophobicContact CG-CD1 4.39Å; E171-L217 HydrophobicContact CG-CD2 3.98Å; Q207-L217 HydrophobicContact CG-CD1 3.92Å; S210-L217 PolarHBondContact OG-N 3.37Å; V215-L217 PolarHBondContact O-N 2.9Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.85Å; L217-V220 PolarHBondContact O-N 3.24Å; L217-R221 WeakPolarHBondContact O-CB 3.37Å; L217-R221 PolarHBondContact O-N 3.45Å
218N84.1Confident83Confident66 Ų6653.4 Ų53.435%0.35328%0.281SS..Hα-helixtrans-62.2-39.6176.7-74.9-54.4000112.7E216 R221 I222E216-N218 PolarHBondContact O-N 3.15Å; E216-N218 VanDerWaalsContact O-N 3.15Å; E216-N218 PolarHBondContact OE1-ND2 2.96Å; N218-R221 PolarHBondContact O-N 3.25Å; N218-R221 PolarHBondContact OD1-NH2 2.71Å; N218-I222 WeakPolarHBondContact O-CG1 3.27Å; N218-I222 PolarHBondContact O-N 3.04Å; N218-I222 VanDerWaalsContact O-N 3.08Å
219L83.4Confident83.2Confident86 Ų8651.3 Ų51.345%0.4527%0.271SS..Hα-helixtrans-69.9-41.3178.3-65.7177.3000110.9V215 E216 L217 R221 I222 A223V215-L219 HydrophobicContact CG1-CB 3.85Å; V215-L219 HydrophobicContact CG1-CD1 4.23Å; E216-L219 HydrophobicContact CB-CD1 4.23Å; E216-L219 HydrophobicContact CB-CG 4.29Å; E216-L219 WeakPolarHBondContact O-CB 3.35Å; E216-L219 PolarHBondContact O-N 2.89Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.85Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-R221 PolarHBondContact O-N 3.39Å; L219-I222 PolarHBondContact O-N 3.02Å; L219-A223 WeakPolarHBondContact O-CB 2.99Å; L219-A223 PolarHBondContact O-N 3.09Å
220V84.4Confident83Confident0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-61.9-40.7174.5-175.20000110.6I196 V206 I209 V215 E216 L217 A223 I224I196-V220 HydrophobicContact CD1-CB 4.27Å; I196-V220 HydrophobicContact CD1-CG1 4.08Å; I196-V220 HydrophobicContact CD1-CG2 4.07Å; I196-V220 HydrophobicContact CG1-CG1 4.46Å; I196-V220 HydrophobicContact CG1-CG2 4.43Å; V206-V220 HydrophobicContact CG1-CB 4.23Å; V206-V220 HydrophobicContact CG1-CG1 3.76Å; I209-V220 HydrophobicContact CG2-CG1 4.04Å; V215-V220 HydrophobicContact CB-CG2 3.87Å; V215-V220 HydrophobicContact CG1-CG2 3.81Å; E216-V220 PolarHBondContact O-N 3.37Å; E216-V220 VanDerWaalsContact O-N 3.11Å; L217-V220 PolarHBondContact O-N 3.24Å; V220-A223 PolarHBondContact O-N 3.4Å; V220-I224 HydrophobicContact CG1-CD1 3.75Å; V220-I224 HydrophobicContact CG1-CG1 4.31Å; V220-I224 WeakPolarHBondContact O-CB 3.37Å; V220-I224 WeakPolarHBondContact O-CG1 3.36Å; V220-I224 PolarHBondContact O-N 3.22Å
221R83.1Confident82.4Confident74 Ų7458.6 Ų58.628%0.27931%0.306SS..Hα-helixtrans-59.8-47.3175.8-173.4-18065.4-153.8-8.6111.9A169 L217 N218 L219 I224 Q225A169-R221 HydrophobicContact CB-CG 4.14Å; A169-R221 WeakPolarHBondContact O-CD 3.3Å; A169-R221 VanDerWaalsContact O-CG 3.3Å; A169-R221 WeakPolarHBondContact O-CG 3.28Å; L217-R221 WeakPolarHBondContact O-CB 3.37Å; L217-R221 PolarHBondContact O-N 3.45Å; N218-R221 PolarHBondContact O-N 3.25Å; N218-R221 PolarHBondContact OD1-NH2 2.71Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-R221 PolarHBondContact O-N 3.39Å; R221-I224 PolarHBondContact O-N 3.11Å; R221-Q225 VanDerWaalsContact O-CB 3.25Å; R221-Q225 WeakPolarHBondContact O-CB 3.44Å; R221-Q225 PolarHBondContact O-N 3.17Å
222I83.5Confident81.8Confident81 Ų8155 Ų5542%0.41528%0.276SS..Hα-helixtrans-64.5-43.2178-65.9163.1000110.5N218 L219 I224 Q225 N226N218-I222 WeakPolarHBondContact O-CG1 3.27Å; N218-I222 PolarHBondContact O-N 3.04Å; N218-I222 VanDerWaalsContact O-N 3.08Å; L219-I222 PolarHBondContact O-N 3.02Å; I222-I224 PolarHBondContact O-N 3.05Å; I222-Q225 PolarHBondContact O-N 3.34Å; I222-N226 WeakPolarHBondContact O-CB 3.44Å; I222-N226 VanDerWaalsContact O-CG 3.27Å; I222-N226 PolarHBondContact O-N 3.4Å; I222-N226 PolarHBondContact O-ND2 3.05Å
223A84.1Confident81.3Confident8 Ų851 Ų517%0.06626%0.257CS..Hα-helixtrans-60.8-46.917800000111.6I196 L219 V220 N226 L227I196-A223 HydrophobicContact CD1-CB 3.65Å; L219-A223 WeakPolarHBondContact O-CB 2.99Å; L219-A223 PolarHBondContact O-N 3.09Å; V220-A223 PolarHBondContact O-N 3.4Å; A223-N226 PolarHBondContact O-N 2.98Å; A223-L227 VanDerWaalsContact O-CG 3.31Å; A223-L227 WeakPolarHBondContact O-CG 3.27Å; A223-L227 PolarHBondContact O-N 3.16Å
224I83.1Confident80.6Confident0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-65.5-39.4176.7-68.5171.7000111.1A169 P175 V206 V220 R221 I222 N226 L227 L228 L235A169-I224 HydrophobicContact CB-CG2 4.19Å; P175-I224 HydrophobicContact CB-CD1 4.33Å; P175-I224 HydrophobicContact CB-CG2 4.2Å; P175-I224 HydrophobicContact CG-CD1 3.9Å; V206-I224 HydrophobicContact CB-CD1 4.3Å; V206-I224 HydrophobicContact CG1-CD1 4Å; V206-I224 HydrophobicContact CG2-CD1 3.63Å; V220-I224 HydrophobicContact CG1-CD1 3.75Å; V220-I224 HydrophobicContact CG1-CG1 4.31Å; V220-I224 WeakPolarHBondContact O-CB 3.37Å; V220-I224 WeakPolarHBondContact O-CG1 3.36Å; V220-I224 PolarHBondContact O-N 3.22Å; R221-I224 PolarHBondContact O-N 3.11Å; I222-I224 PolarHBondContact O-N 3.05Å; I224-N226 VanDerWaalsContact C-N 3.32Å; I224-N226 PolarHBondContact O-N 3.43Å; I224-L227 PolarHBondContact O-N 2.7Å; I224-L228 WeakPolarHBondContact O-CB 3.39Å; I224-L228 PolarHBondContact O-N 3.42Å; I224-L235 HydrophobicContact CG2-CD2 3.62Å
225Q83.7Confident79.8Confident49 Ų4946.7 Ų46.723%0.22923%0.234CC..Hα-helixtrans-62.8-39.2176.1-173.7174.75.300111.7P166 R221 I222 L228 Y229P166-Q225 HydrophobicContact CB-CG 4.16Å; P166-Q225 HydrophobicContact CG-CG 3.45Å; P166-Q225 VanDerWaalsContact CG-CG 3.45Å; R221-Q225 VanDerWaalsContact O-CB 3.25Å; R221-Q225 WeakPolarHBondContact O-CB 3.44Å; R221-Q225 PolarHBondContact O-N 3.17Å; I222-Q225 PolarHBondContact O-N 3.34Å; Q225-L228 WeakPolarHBondContact O-CB 3.31Å; Q225-L228 PolarHBondContact O-N 3.46Å; Q225-Y229 PolarHBondContact O-N 2.98Å
226N84.8Confident79Confident82 Ų8246.3 Ų46.344%0.43923%0.231SC..Hα-helixtrans-66.4-42.6172.8-70.5-20.8000111.4I222 A223 I224 L228 Y229 Y230I222-N226 WeakPolarHBondContact O-CB 3.44Å; I222-N226 VanDerWaalsContact O-CG 3.27Å; I222-N226 PolarHBondContact O-N 3.4Å; I222-N226 PolarHBondContact O-ND2 3.05Å; A223-N226 PolarHBondContact O-N 2.98Å; I224-N226 VanDerWaalsContact C-N 3.32Å; I224-N226 PolarHBondContact O-N 3.43Å; N226-L228 VanDerWaalsContact C-N 3.26Å; N226-L228 PolarHBondContact O-N 3.21Å; N226-Y229 WeakPolarHBondContact O-CB 3.38Å; N226-Y229 PolarHBondContact O-N 3.39Å; N226-Y229 VanDerWaalsContact O-N 3.15Å; N226-Y230 WeakPolarHBondContact O-CD2 3.36Å; N226-Y230 PolarHBondContact O-N 3.19Å
227L81.3Confident77.8Confident5 Ų541.7 Ų41.73%0.02621%0.212CC..Hα-helixtrans-61.9-35.5174.9-70.4172.6000112.3W189 I200 A223 I224 Y230 G231 V232 V233W189-L227 HydrophobicContact CE3-CD2 4.45Å; W189-L227 HydrophobicContact CH2-CD2 3.82Å; W189-L227 HydrophobicContact CZ3-CD2 3.43Å; W189-L227 VanDerWaalsContact CZ3-CD2 3.43Å; I200-L227 HydrophobicContact CD1-CD1 4.13Å; A223-L227 VanDerWaalsContact O-CG 3.31Å; A223-L227 WeakPolarHBondContact O-CG 3.27Å; A223-L227 PolarHBondContact O-N 3.16Å; I224-L227 PolarHBondContact O-N 2.7Å; L227-Y230 PolarHBondContact O-N 3.08Å; L227-G231 PolarHBondContact O-N 3.33Å; L227-G231 VanDerWaalsContact O-N 3.15Å; L227-V232 HydrophobicContact CD2-CB 4.36Å; L227-V232 HydrophobicContact CD2-CG1 4.35Å; L227-V232 PolarHBondContact O-N 3.15Å; L227-V233 HydrophobicContact CB-CB 4.07Å; L227-V233 HydrophobicContact CB-CG2 3.81Å; L227-V233 HydrophobicContact CD1-CG2 4.11Å; L227-V233 HydrophobicContact CG-CG2 4.49Å; L227-V233 PolarHBondContact O-N 2.74Å
228L82.4Confident77Confident31 Ų3141.1 Ų41.116%0.16221%0.209CC..Hα-helixtrans-67.6-41.1173.3-178.361.5000111.6P166 P167 I224 Q225 N226 Y230 G231 V233 L235P166-L228 HydrophobicContact CB-CB 4.3Å; P166-L228 HydrophobicContact CB-CD2 4.05Å; P166-L228 HydrophobicContact CB-CG 4Å; P167-L228 HydrophobicContact CG-CD2 3.73Å; I224-L228 WeakPolarHBondContact O-CB 3.39Å; I224-L228 PolarHBondContact O-N 3.42Å; Q225-L228 WeakPolarHBondContact O-CB 3.31Å; Q225-L228 PolarHBondContact O-N 3.46Å; N226-L228 VanDerWaalsContact C-N 3.26Å; N226-L228 PolarHBondContact O-N 3.21Å; L228-Y230 VanDerWaalsContact C-N 3.31Å; L228-Y230 PolarHBondContact O-N 3.11Å; L228-G231 PolarHBondContact O-N 3.47Å; L228-V233 WeakPolarHBondContact CD1-O 3.38Å; L228-L235 HydrophobicContact CD2-CD1 3.57Å; L228-L235 HydrophobicContact CD2-CG 3.96Å
229Y82Confident75.6Confident68 Ų6839.8 Ų39.827%0.26720%0.202SC..Hα-helixtrans-58.8-42.1173.2-174.7-107.3000112.2R163 P166 Q225 N226 G231R163-Y229 HydrophobicContact CB-CD2 4.16Å; R163-Y229 HydrophobicContact CB-CE1 4.46Å; R163-Y229 HydrophobicContact CB-CE2 3.64Å; R163-Y229 WeakPolarHBondContact CD-O 3.27Å; R163-Y229 PolarHBondContact N-OH 2.75Å; R163-Y229 PolarHBondContact NH1-O 3.13Å; R163-Y229 VanDerWaalsContact NH1-O 3.13Å; R163-Y229 WeakPolarHBondContact O-CE2 3.41Å; R163-Y229 PolarHBondContact O-OH 3.28Å; P166-Y229 HydrophobicContact CG-CD2 4.31Å; Q225-Y229 PolarHBondContact O-N 2.98Å; N226-Y229 WeakPolarHBondContact O-CB 3.38Å; N226-Y229 PolarHBondContact O-N 3.39Å; N226-Y229 VanDerWaalsContact O-N 3.15Å; Y229-G231 PolarHBondContact O-N 3Å
230Y76.4Confident74.3Confident139 Ų13938.3 Ų38.355%0.54519%0.192SC..THydrogen-bonded Turntrans-76.8-2.8175.4-68.9-67.2000113.8R163 N226 L227 L228 V232R163-Y230 PolarHBondContact NH1-O 3.35Å; N226-Y230 WeakPolarHBondContact O-CD2 3.36Å; N226-Y230 PolarHBondContact O-N 3.19Å; L227-Y230 PolarHBondContact O-N 3.08Å; L228-Y230 VanDerWaalsContact C-N 3.31Å; L228-Y230 PolarHBondContact O-N 3.11Å; Y230-V232 PolarHBondContact O-N 2.99Å
231G70.3Confident72.8Confident31 Ų3141.4 Ų41.432%0.3220%0.204SC..THydrogen-bonded Turntrans65.423.9177.700000113.1T178 L227 L228 Y229T178-G231 PolarHBondContact OG1-O 3.34Å; L227-G231 PolarHBondContact O-N 3.33Å; L227-G231 VanDerWaalsContact O-N 3.15Å; L228-G231 PolarHBondContact O-N 3.47Å; Y229-G231 PolarHBondContact O-N 3Å
232V71.8Confident71.3Confident5 Ų539.9 Ų39.93%0.0321%0.205CC..SBendtrans-82.2-32.7176.9179.50000110F177 T178 F184 W189 L227 Y230F177-V232 WeakPolarHBondContact CA-O 3.48Å; F177-V232 HydrophobicContact CD1-CG1 3.84Å; F177-V232 HydrophobicContact CE1-CG1 3.81Å; T178-V232 PolarHBondContact N-O 3.31Å; T178-V232 VanDerWaalsContact N-O 3.12Å; T178-V232 PolarHBondContact OG1-O 2.98Å; F184-V232 HydrophobicContact CE1-CG2 4.3Å; F184-V232 HydrophobicContact CE2-CG1 4.23Å; F184-V232 HydrophobicContact CZ-CG1 4.3Å; F184-V232 HydrophobicContact CZ-CG2 3.94Å; W189-V232 HydrophobicContact CH2-CG1 4.48Å; W189-V232 HydrophobicContact CH2-CG2 4.29Å; L227-V232 HydrophobicContact CD2-CB 4.36Å; L227-V232 HydrophobicContact CD2-CG1 4.35Å; L227-V232 PolarHBondContact O-N 3.15Å; Y230-V232 PolarHBondContact O-N 2.99Å
233V71.4Confident70.2Confident0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-126.5140-175.8173.40000109.4P175 V176 F177 L227 L228P175-V233 HydrophobicContact CB-CG1 3.29Å; V176-V233 CarbonylContact O-C 3.57Å; V176-V233 VanDerWaalsContact O-CA 3.27Å; V176-V233 WeakPolarHBondContact O-CA 3.1Å; F177-V233 HydrophobicContact CD1-CG2 4Å; F177-V233 HydrophobicContact CE1-CG2 3.84Å; F177-V233 HydrophobicContact CZ-CG2 4.43Å; L227-V233 HydrophobicContact CB-CB 4.07Å; L227-V233 HydrophobicContact CB-CG2 3.81Å; L227-V233 HydrophobicContact CD1-CG2 4.11Å; L227-V233 HydrophobicContact CG-CG2 4.49Å; L227-V233 PolarHBondContact O-N 2.74Å; L228-V233 WeakPolarHBondContact CD1-O 3.38Å
234T68.1Low69Low38 Ų3836.3 Ų36.323%0.23319%0.186CC..EExtended strand (participates in β ladder)trans-107.2143.3162.846.90000110V176 T178V176-T234 PolarHBondContact N-O 2.82Å; V176-T234 PolarHBondContact O-N 3.14Å; V176-T234 PolarHBondContact O-OG1 2.84Å; T178-T234 HydrophobicContact CG2-CG2 3.33Å; T178-T234 WeakPolarHBondContact CG2-OG1 3.14Å
235L67.1Low68.1Low42 Ų4236.4 Ų36.422%0.2219%0.186CC..EExtended strand (participates in β ladder)trans-85.6126.6172.9-63.5172.8000108.8A169 D173 I224 L228A169-L235 HydrophobicContact CB-CD1 3.79Å; A169-L235 HydrophobicContact CB-CD2 4.18Å; D173-L235 HydrophobicContact CB-CB 4.27Å; D173-L235 HydrophobicContact CB-CD2 3.93Å; D173-L235 HydrophobicContact CB-CG 4.5Å; I224-L235 HydrophobicContact CG2-CD2 3.62Å; L228-L235 HydrophobicContact CD2-CD1 3.57Å; L228-L235 HydrophobicContact CD2-CG 3.96Å
236V67.6Low66.8Low10 Ų1035 Ų356%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-120.4141.3175.5174.90000108.2V174 V176 L318 M319V174-V236 WeakPolarHBondContact CA-O 3.47Å; V174-V236 WeakPolarHBondContact CB-O 3.34Å; V174-V236 PolarHBondContact N-O 3.1Å; V174-V236 PolarHBondContact O-N 3.13Å; V176-V236 HydrophobicContact CG2-CB 4.04Å; V176-V236 HydrophobicContact CG2-CG2 3.79Å; V236-L318 HydrophobicContact CG1-CB 3.46Å; V236-L318 VanDerWaalsContact CG1-CB 3.46Å; V236-L318 HydrophobicContact CG1-CD1 3.47Å; V236-L318 VanDerWaalsContact CG1-CD1 3.47Å; V236-L318 HydrophobicContact CG1-CG 4.08Å; V236-L318 HydrophobicContact CG2-CB 4.42Å; V236-M319 HydrophobicContact CG2-CG 3.96Å
237S60.3Low65.8Low21 Ų2133.3 Ų33.315%0.14718%0.175CC..EExtended strand (participates in β ladder)trans-65.7146175.575.40000110.8L239 R325S237-L239 PolarHBondContact O-N 3.34Å; S237-R325 VanDerWaalsContact OG-CD 3.24Å; S237-R325 WeakPolarHBondContact OG-CD 3.28Å
238I63.3Low65Low27 Ų2734.5 Ų34.514%0.13818%0.183CC..  trans-50.2132.4178-166.4166000113V174 H205 Q240 N243 R325V174-I238 HydrophobicContact CG2-CB 4.19Å; V174-I238 HydrophobicContact CG2-CG1 4.37Å; H205-I238 HydrophobicContact CB-CD1 4.45Å; I238-Q240 HydrophobicContact CG1-CG 4.44Å; I238-Q240 HydrophobicContact CG2-CG 4.26Å; I238-Q240 PolarHBondContact O-N 2.87Å; I238-N243 PolarHBondContact O-ND2 2.59Å; I238-N243 VanDerWaalsContact O-ND2 3.16Å; I238-R325 PolarHBondContact O-NH1 3.44Å
239L55.4Low64.1Low39 Ų3938 Ų3820%0.20421%0.207CC..  trans-78.3109.7172-170.791.5000108.9S237 R311 I314S237-L239 PolarHBondContact O-N 3.34Å; L239-R311 HydrophobicContact CD2-CB 3.97Å; L239-R311 HydrophobicContact CD2-CG 3.77Å; L239-I314 HydrophobicContact CD1-CB 3.44Å; L239-I314 VanDerWaalsContact CD1-CB 3.44Å; L239-I314 HydrophobicContact CD1-CD1 3.72Å; L239-I314 HydrophobicContact CD1-CG1 4.17Å; L239-I314 HydrophobicContact CD1-CG2 3.2Å
240Q55.8Low63Low54 Ų5439.8 Ų39.825%0.25222%0.217SC..  trans-117.4137.3166.2-62.6178.8-6.800108.7I238 S242 N243I238-Q240 HydrophobicContact CG1-CG 4.44Å; I238-Q240 HydrophobicContact CG2-CG 4.26Å; I238-Q240 PolarHBondContact O-N 2.87Å; Q240-S242 PolarHBondContact O-N 3.35Å; Q240-S242 VanDerWaalsContact O-N 3.08Å; Q240-N243 PolarHBondContact N-ND2 2.92Å; Q240-N243 VanDerWaalsContact O-CB 3.28Å; Q240-N243 WeakPolarHBondContact O-CB 3.44Å; Q240-N243 PolarHBondContact O-N 3.22Å
241Y53.9Low62.3Low66 Ų6634 Ų3426%0.25920%0.196SC..THydrogen-bonded Turntrans-64-14.9180-70.3-78.9000113.5V294 R295 I298 E310 R311Y241-V294 HydrophobicContact CD1-CB 4.49Å; Y241-V294 HydrophobicContact CD1-CG1 3.85Å; Y241-V294 HydrophobicContact CE1-CG1 4.41Å; Y241-V294 PolarHBondContact O-N 3.49Å; Y241-R295 PolarHBondContact O-N 2.95Å; Y241-R295 VanDerWaalsContact O-N 3.08Å; Y241-I298 HydrophobicContact CD1-CD1 3.54Å; Y241-I298 HydrophobicContact CE1-CD1 3.41Å; Y241-I298 VanDerWaalsContact CE1-CD1 3.41Å; Y241-E310 WeakPolarHBondContact CE1-OE1 3.27Å; Y241-E310 PolarHBondContact OH-OE1 3.47Å; Y241-R311 PolarHBondContact OH-NE 3.19Å; Y241-R311 PolarHBondContact OH-NH2 2.88Å
242S51.8Low61.9Low42 Ų4238.9 Ų38.929%0.29421%0.21SC..THydrogen-bonded Turntrans-86.2-7.3174.2-166.70000113.6Q240 Y362Q240-S242 PolarHBondContact O-N 3.35Å; Q240-S242 VanDerWaalsContact O-N 3.08Å; S242-Y362 VanDerWaalsContact OG-CE1 3.22Å; S242-Y362 WeakPolarHBondContact OG-CE1 3.42Å
243N60.3Low61.5Low5 Ų542.5 Ų42.53%0.02723%0.229CC..  trans-75.5146.2-177.8-72.6-27.8000111.8I238 Q240 Y245 V294 R325I238-N243 PolarHBondContact O-ND2 2.59Å; I238-N243 VanDerWaalsContact O-ND2 3.16Å; Q240-N243 PolarHBondContact N-ND2 2.92Å; Q240-N243 VanDerWaalsContact O-CB 3.28Å; Q240-N243 WeakPolarHBondContact O-CB 3.44Å; Q240-N243 PolarHBondContact O-N 3.22Å; N243-Y245 HydrophobicContact CB-CD2 4.29Å; N243-Y245 HydrophobicContact CB-CE2 3.55Å; N243-Y245 PolarHBondContact ND2-OH 2.99Å; N243-V294 PolarHBondContact O-N 3.06Å; N243-R325 VanDerWaalsContact CG-CZ 3.4Å; N243-R325 VanDerWaalsContact CG-NH2 3.29Å; N243-R325 PolarHBondContact ND2-NE 3.29Å; N243-R325 PolarHBondContact ND2-NH2 2.8Å; N243-R325 VanDerWaalsContact ND2-NH2 3.11Å; N243-R325 PolarHBondContact OD1-NE 3.25Å; N243-R325 PolarHBondContact OD1-NH2 2.97Å
244V58.8Low61Low9 Ų942.8 Ų42.86%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-101132.7171.4-176.90000108.3T293 L326 W379V244-T293 HydrophobicContact CG2-CG2 4.43Å; V244-L326 PolarHBondContact O-N 3.43Å; V244-L326 VanDerWaalsContact O-N 3.07Å; V244-W379 HydrophobicContact CB-CZ3 4.1Å; V244-W379 HydrophobicContact CG2-CH2 4.04Å; V244-W379 HydrophobicContact CG2-CZ3 3.94Å
245Y64.3Low60.7Low1 Ų144.6 Ų44.60%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-123.5133.2-175.6-72.3-70.2000108.2N243 V294 I314 L318 I323 R325N243-Y245 HydrophobicContact CB-CD2 4.29Å; N243-Y245 HydrophobicContact CB-CE2 3.55Å; N243-Y245 PolarHBondContact ND2-OH 2.99Å; Y245-V294 HydrophobicContact CD2-CG2 3.39Å; Y245-V294 HydrophobicContact CE2-CG2 3.34Å; Y245-I314 HydrophobicContact CD1-CG2 4.47Å; Y245-I314 HydrophobicContact CD2-CG2 4.42Å; Y245-I314 HydrophobicContact CE1-CG2 4.05Å; Y245-I314 HydrophobicContact CE2-CG2 4.02Å; Y245-L318 HydrophobicContact CD1-CD2 4.2Å; Y245-L318 HydrophobicContact CE1-CD1 3.91Å; Y245-L318 HydrophobicContact CE1-CD2 3.95Å; Y245-L318 HydrophobicContact CE1-CG 4.34Å; Y245-I323 VanDerWaalsContact CB-CG2 3.45Å; Y245-I323 HydrophobicContact CD1-CG2 3.44Å; Y245-I323 VanDerWaalsContact CD1-CG2 3.44Å; Y245-I323 HydrophobicContact CG-CG2 3.77Å; Y245-R325 HydrophobicContact CD1-CB 3.93Å; Y245-R325 HydrophobicContact CD1-CG 4.2Å; Y245-R325 HydrophobicContact CE1-CB 3.78Å; Y245-R325 HydrophobicContact CE1-CG 3.84Å
246C55.6Low60.6Low20 Ų2048.6 Ų48.614%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-113.2133.2175.4-78.60000110.4T248 I323 R324 L326C246-T248 PolarHBondContact O-N 3.37Å; C246-I323 WeakPolarHBondContact O-CA 3.42Å; C246-R324 PolarHBondContact N-O 3.47Å; C246-R324 PolarHBondContact O-N 2.93Å; C246-L326 HydrophobicContact CB-CD1 3.77Å; C246-L326 WeakPolarHBondContact SG-CD1 3.3Å
247P63.4Low60.7Low47 Ų4752.3 Ų52.331%0.30528%0.283SS..EExtended strand (participates in β ladder)trans-66.2134.8173.227.4-31.9000109.5V251 L288P247-V251 HydrophobicContact CB-CG1 3.83Å; P247-V251 HydrophobicContact CB-CG2 4.35Å; P247-L288 WeakPolarHBondContact CD-O 3.32Å; P247-L288 WeakPolarHBondContact CG-O 3.19Å
248T64.4Low61Low30 Ų3059.3 Ų59.318%0.18431%0.311CS..  trans-86.3160.2170.967.40000109.2C246 K250 V251 N321 L322 R324C246-T248 PolarHBondContact O-N 3.37Å; T248-K250 PolarHBondContact O-N 2.84Å; T248-V251 WeakPolarHBondContact O-CG1 3.47Å; T248-V251 VanDerWaalsContact O-CG2 3.27Å; T248-V251 WeakPolarHBondContact O-CG2 3.49Å; T248-V251 PolarHBondContact O-N 2.78Å; T248-N321 WeakPolarHBondContact CG2-O 3.48Å; T248-N321 PolarHBondContact OG1-O 3.24Å; T248-L322 PolarHBondContact N-O 2.85Å; T248-L322 PolarHBondContact OG1-O 3.26Å; T248-R324 HydrophobicContact CG2-CB 3.76Å
249P63.4Low61Low104 Ų10462 Ų6268%0.67533%0.332SS*.G310 helixtrans-57.2-17.5176.221.3-33.3000113.8V251 Q252P249-V251 PolarHBondContact O-N 2.97Å; P249-Q252 WeakPolarHBondContact O-CB 3.42Å; P249-Q252 PolarHBondContact O-N 3.31Å
250K60.5Low61.5Low106 Ų10661.7 Ų61.746%0.46133%0.33SS..G310 helixtrans-66.2-10.9174.6-59.9-170.6173.1-173.80114.3T248 Q252 D253 L254 L322T248-K250 PolarHBondContact O-N 2.84Å; K250-Q252 PolarHBondContact O-N 3.36Å; K250-D253 WeakPolarHBondContact CA-OD2 3.46Å; K250-D253 WeakPolarHBondContact O-CB 3.48Å; K250-D253 PolarHBondContact O-N 3.47Å; K250-D253 VanDerWaalsContact O-N 3.16Å; K250-L254 PolarHBondContact O-N 3Å; K250-L322 WeakPolarHBondContact O-CD2 3.17Å
251V62Low61.9Low18 Ų1860.6 Ų60.611%0.10933%0.325CS..G310 helixtrans-63.4-20.8168.3-59.80000112.2P247 T248 P249 L254 L322P247-V251 HydrophobicContact CB-CG1 3.83Å; P247-V251 HydrophobicContact CB-CG2 4.35Å; T248-V251 WeakPolarHBondContact O-CG1 3.47Å; T248-V251 VanDerWaalsContact O-CG2 3.27Å; T248-V251 WeakPolarHBondContact O-CG2 3.49Å; T248-V251 PolarHBondContact O-N 2.78Å; P249-V251 PolarHBondContact O-N 2.97Å; V251-L254 WeakPolarHBondContact O-CB 3.1Å; V251-L322 HydrophobicContact CG1-CB 4.17Å; V251-L322 HydrophobicContact CG1-CD2 4.33Å; V251-L322 VanDerWaalsContact CG1-O 3.24Å; V251-L322 WeakPolarHBondContact CG1-O 3.16Å
252Q61.3Low62.4Low132 Ų13263.5 Ų63.562%0.61734%0.341SS*.THydrogen-bonded Turntrans-73.1-39.9172.1-61.7-177.4100110.9P249 K250 L254 V255 D256P249-Q252 WeakPolarHBondContact O-CB 3.42Å; P249-Q252 PolarHBondContact O-N 3.31Å; K250-Q252 PolarHBondContact O-N 3.36Å; Q252-L254 PolarHBondContact O-N 2.87Å; Q252-L254 VanDerWaalsContact O-N 3.14Å; Q252-V255 WeakPolarHBondContact O-CA 3.45Å; Q252-V255 VanDerWaalsContact O-CB 3.31Å; Q252-V255 WeakPolarHBondContact O-CB 3.48Å; Q252-V255 PolarHBondContact O-N 3.4Å; Q252-D256 PolarHBondContact O-N 2.81Å
253D62.7Low62.9Low81 Ų8163.4 Ų63.443%0.43334%0.343SS..Hα-helixtrans-59.1-28174.2-51.9-22.7000111.7K250 V255 D256 D257K250-D253 WeakPolarHBondContact CA-OD2 3.46Å; K250-D253 WeakPolarHBondContact O-CB 3.48Å; K250-D253 PolarHBondContact O-N 3.47Å; K250-D253 VanDerWaalsContact O-N 3.16Å; D253-V255 PolarHBondContact O-N 3.48Å; D253-D256 PolarHBondContact O-N 2.84Å; D253-D257 PolarHBondContact O-N 3.48Å
254L61.2Low63Low7 Ų763.2 Ų63.24%0.03734%0.342CS..Hα-helixtrans-67-24173.3-168.5141.7000112.9K250 V251 Q252 L260 Q261 F316 L322K250-L254 PolarHBondContact O-N 3Å; V251-L254 WeakPolarHBondContact O-CB 3.1Å; Q252-L254 PolarHBondContact O-N 2.87Å; Q252-L254 VanDerWaalsContact O-N 3.14Å; L254-L260 HydrophobicContact CB-CD2 4.23Å; L254-L260 HydrophobicContact CD1-CD2 3.5Å; L254-L260 HydrophobicContact CG-CD2 3.72Å; L254-Q261 WeakPolarHBondContact O-CG 3.28Å; L254-Q261 PolarHBondContact O-NE2 3.2Å; L254-F316 HydrophobicContact CD1-CE1 4.41Å; L254-L322 HydrophobicContact CB-CD2 3.81Å; L254-L322 HydrophobicContact CD1-CD1 3.53Å; L254-L322 HydrophobicContact CD1-CD2 3.65Å; L254-L322 HydrophobicContact CD1-CG 4.24Å; L254-L322 HydrophobicContact CG-CD2 4.38Å
255V62.7Low63.2Low76 Ų7664.3 Ų64.346%0.46135%0.347SS..Hα-helixtrans-79.7-29.4174.6-176.20000111Q252 D253 Q261 F282Q252-V255 WeakPolarHBondContact O-CA 3.45Å; Q252-V255 VanDerWaalsContact O-CB 3.31Å; Q252-V255 WeakPolarHBondContact O-CB 3.48Å; Q252-V255 PolarHBondContact O-N 3.4Å; D253-V255 PolarHBondContact O-N 3.48Å; V255-Q261 PolarHBondContact O-NE2 2.87Å; V255-F282 HydrophobicContact CG2-CD2 3.86Å; V255-F282 HydrophobicContact CG2-CE2 3.49Å; V255-F282 VanDerWaalsContact CG2-CE2 3.49Å; V255-F282 HydrophobicContact CG2-CZ 4.17Å
256D63.8Low63Low126 Ų12668.4 Ų68.467%0.67438%0.376SS*.Hα-helixtrans-87-36.8-176.9-63.9-32.1000112.7Q252 D253 K258Q252-D256 PolarHBondContact O-N 2.81Å; D253-D256 PolarHBondContact O-N 2.84Å; D256-K258 PolarHBondContact O-N 3.12Å
257D70.1Confident63.4Low87 Ų8771.1 Ų71.147%0.46538%0.384SS..  trans-89.3102.5-177.6-101-28.7000113.8D253 S259 L260 Q261D253-D257 PolarHBondContact O-N 3.48Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.22Å; D257-L260 HydrophobicContact CB-CB 3.85Å; D257-L260 PolarHBondContact O-N 3.36Å; D257-Q261 WeakPolarHBondContact O-CG 3.45Å; D257-Q261 PolarHBondContact O-N 2.78Å
258K66.3Low63.2Low169 Ų16968.9 Ų68.974%0.73537%0.369SS*.Hα-helixtrans-62.3-32.1177.8-69.4-176.5179.91770114.3D256 Q261 E262D256-K258 PolarHBondContact O-N 3.12Å; K258-Q261 WeakPolarHBondContact O-CB 3.44Å; K258-E262 PolarHBondContact O-N 2.75Å
259S63.4Low62.9Low84 Ų8468.6 Ų68.659%0.58737%0.368SS*.Hα-helixtrans-71.5-37.6178.358.80000111.8D257 E262 A263D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.22Å; S259-E262 PolarHBondContact O-N 2.95Å; S259-A263 WeakPolarHBondContact O-CB 3.4Å; S259-A263 PolarHBondContact O-N 3.38Å
260L64.8Low62.5Low32 Ų3266.6 Ų66.617%0.16835%0.349CS..Hα-helixtrans-72-36176.6-161.5152000110.7L254 D257 A263 C264 F316 K320 L322L254-L260 HydrophobicContact CB-CD2 4.23Å; L254-L260 HydrophobicContact CD1-CD2 3.5Å; L254-L260 HydrophobicContact CG-CD2 3.72Å; D257-L260 HydrophobicContact CB-CB 3.85Å; D257-L260 PolarHBondContact O-N 3.36Å; L260-A263 PolarHBondContact O-N 3.14Å; L260-C264 WeakPolarHBondContact O-CB 3.24Å; L260-C264 PolarHBondContact O-N 3.1Å; L260-F316 HydrophobicContact CD2-CE1 3.77Å; L260-F316 HydrophobicContact CD2-CZ 3.92Å; L260-F316 HydrophobicContact CG-CZ 4.24Å; L260-K320 HydrophobicContact CD1-CD 4.38Å; L260-L322 HydrophobicContact CD2-CD1 4.49Å
261Q64.6Low61.8Low31 Ų3170.8 Ų70.815%0.14537%0.37CS..Hα-helixtrans-58.4-49.4170-72.8171.65.100111.8L254 V255 D257 K258 C264 L265 L278L254-Q261 WeakPolarHBondContact O-CG 3.28Å; L254-Q261 PolarHBondContact O-NE2 3.2Å; V255-Q261 PolarHBondContact O-NE2 2.87Å; D257-Q261 WeakPolarHBondContact O-CG 3.45Å; D257-Q261 PolarHBondContact O-N 2.78Å; K258-Q261 WeakPolarHBondContact O-CB 3.44Å; Q261-C264 PolarHBondContact O-N 3.03Å; Q261-L265 VanDerWaalsContact O-CB 3.3Å; Q261-L265 WeakPolarHBondContact O-CB 3.36Å; Q261-L265 WeakPolarHBondContact O-CG 3.46Å; Q261-L265 PolarHBondContact O-N 2.81Å; Q261-L278 HydrophobicContact CB-CD1 4.23Å; Q261-L278 HydrophobicContact CB-CD2 3.9Å; Q261-L278 HydrophobicContact CG-CD1 4.13Å; Q261-L278 HydrophobicContact CG-CD2 3.97Å
262E65.1Low61.1Low126 Ų12673.7 Ų73.759%0.58940%0.403SS*.Hα-helixtrans-66.6-39.1-179.5-171165.7-155.300112.2K258 S259 L265 S266K258-E262 PolarHBondContact O-N 2.75Å; S259-E262 PolarHBondContact O-N 2.95Å; E262-L265 PolarHBondContact O-N 3.11Å; E262-S266 WeakPolarHBondContact O-CB 3.2Å; E262-S266 PolarHBondContact O-N 2.87Å; E262-S266 PolarHBondContact O-OG 2.63Å
263A63.2Low60.6Low41 Ų4173 Ų7334%0.33940%0.4SS..Hα-helixtrans-64.3-41.5172.400000112.3S259 L260 S266 Y267 F316S259-A263 WeakPolarHBondContact O-CB 3.4Å; S259-A263 PolarHBondContact O-N 3.38Å; L260-A263 PolarHBondContact O-N 3.14Å; A263-S266 WeakPolarHBondContact CA-OG 3.21Å; A263-S266 PolarHBondContact O-OG 3.39Å; A263-Y267 WeakPolarHBondContact O-CB 3.3Å; A263-Y267 PolarHBondContact O-N 2.99Å; A263-F316 HydrophobicContact CB-CE2 4.3Å; A263-F316 HydrophobicContact CB-CZ 4.42Å
264C61.8Low59.8Low0 Ų078 Ų780%042%0.417CS..Hα-helixtrans-64.3-47.9176-171.50000110.5L260 Q261 S266 Y267 V268 F316L260-C264 WeakPolarHBondContact O-CB 3.24Å; L260-C264 PolarHBondContact O-N 3.1Å; Q261-C264 PolarHBondContact O-N 3.03Å; C264-S266 PolarHBondContact O-N 3.31Å; C264-Y267 PolarHBondContact O-N 2.94Å; C264-V268 WeakPolarHBondContact O-CB 3.1Å; C264-V268 WeakPolarHBondContact O-CG2 3.35Å; C264-V268 PolarHBondContact O-N 3.41Å; C264-F316 HydrophobicContact CB-CD1 3.92Å; C264-F316 HydrophobicContact CB-CE1 3.36Å; C264-F316 HydrophobicContact CB-CE2 4.28Å; C264-F316 HydrophobicContact CB-CZ 3.56Å; C264-F316 VanDerWaalsContact SG-CD1 3.53Å; C264-F316 VanDerWaalsContact SG-CE1 3.56Å
265L62.2Low59.3Low32 Ų3287.1 Ų87.117%0.16845%0.452CS..Hα-helixtrans-64-43.1-178.9-74.5175.6000112.6Q261 E262 Y267 T269 A276 L278Q261-L265 VanDerWaalsContact O-CB 3.3Å; Q261-L265 WeakPolarHBondContact O-CB 3.36Å; Q261-L265 WeakPolarHBondContact O-CG 3.46Å; Q261-L265 PolarHBondContact O-N 2.81Å; E262-L265 PolarHBondContact O-N 3.11Å; L265-Y267 VanDerWaalsContact C-N 3.32Å; L265-T269 VanDerWaalsContact O-CB 3.23Å; L265-T269 WeakPolarHBondContact O-CB 3.36Å; L265-T269 PolarHBondContact O-N 3.04Å; L265-T269 PolarHBondContact O-OG1 3.37Å; L265-A276 HydrophobicContact CD2-CB 4.44Å; L265-A276 WeakPolarHBondContact CD2-O 3.49Å; L265-L278 HydrophobicContact CD1-CD1 4.41Å; L265-L278 HydrophobicContact CD1-CD2 3.6Å; L265-L278 HydrophobicContact CD1-CG 3.84Å; L265-L278 HydrophobicContact CD2-CD2 3.77Å; L265-L278 HydrophobicContact CD2-CG 4.26Å; L265-L278 HydrophobicContact CG-CD2 3.59Å; L265-L278 HydrophobicContact CG-CG 4.27Å
266S61Low59Low87 Ų8783.8 Ų83.861%0.60843%0.432SS*.Hα-helixtrans-65.3-3717652.30000112E262 A263 C264E262-S266 WeakPolarHBondContact O-CB 3.2Å; E262-S266 PolarHBondContact O-N 2.87Å; E262-S266 PolarHBondContact O-OG 2.63Å; A263-S266 WeakPolarHBondContact CA-OG 3.21Å; A263-S266 PolarHBondContact O-OG 3.39Å; C264-S266 PolarHBondContact O-N 3.31Å
267Y63.2Low58.8Low77 Ų7780.7 Ų80.730%0.30242%0.42SS..Hα-helixtrans-75.4-33.8179.3-158.6-95.9000113.5A263 C264 L265 K312 Q315 F316A263-Y267 WeakPolarHBondContact O-CB 3.3Å; A263-Y267 PolarHBondContact O-N 2.99Å; C264-Y267 PolarHBondContact O-N 2.94Å; L265-Y267 VanDerWaalsContact C-N 3.32Å; Y267-K312 HydrophobicContact CD1-CB 3.9Å; Y267-K312 HydrophobicContact CE1-CB 3.85Å; Y267-K312 HydrophobicContact CE1-CG 4.19Å; Y267-K312 WeakPolarHBondContact O-CD 3.49Å; Y267-Q315 HydrophobicContact CE1-CG 4.45Å; Y267-Q315 VanDerWaalsContact CE1-OE1 3.26Å; Y267-Q315 VanDerWaalsContact OH-CD 3.22Å; Y267-Q315 PolarHBondContact OH-OE1 2.86Å; Y267-F316 HydrophobicContact CD1-CB 4Å; Y267-F316 HydrophobicContact CD1-CD2 4.22Å; Y267-F316 HydrophobicContact CE1-CB 4.49Å; Y267-F316 HydrophobicContact CG-CD2 4.23Å
268V59.2Low58.3Low0 Ų079.5 Ų79.50%041%0.413CS..Hα-helixtrans-89.4-24.5-174.11760000112.7C264 K270 V281 V308 D309 L313C264-V268 WeakPolarHBondContact O-CB 3.1Å; C264-V268 WeakPolarHBondContact O-CG2 3.35Å; C264-V268 PolarHBondContact O-N 3.41Å; V268-K270 PolarHBondContact O-N 2.96Å; V268-V281 HydrophobicContact CG1-CG2 4.33Å; V268-V308 HydrophobicContact CG1-CB 4Å; V268-V308 HydrophobicContact CG1-CG1 3.3Å; V268-V308 HydrophobicContact CG1-CG2 3.92Å; V268-D309 PolarHBondContact O-N 2.85Å; V268-L313 HydrophobicContact CG1-CB 4.22Å; V268-L313 HydrophobicContact CG1-CD1 4.01Å; V268-L313 HydrophobicContact CG2-CB 4.27Å; V268-L313 HydrophobicContact CG2-CD1 3.88Å
269T57.9Low58.2Low25 Ų2581.1 Ų81.115%0.15342%0.415CS..BIsolated β-bridgetrans-71.7125.2-179.6-58.90000110.5L265 H273 A276L265-T269 VanDerWaalsContact O-CB 3.23Å; L265-T269 WeakPolarHBondContact O-CB 3.36Å; L265-T269 PolarHBondContact O-N 3.04Å; L265-T269 PolarHBondContact O-OG1 3.37Å; T269-H273 WeakPolarHBondContact CG2-O 3.49Å; T269-A276 PolarHBondContact OG1-N 3.42Å
270K56.2Low58.4Low62 Ų6279 Ų7927%0.2740%0.397SS..  trans-61.2135171.1-80.6173175.9168.40110.9V268 G272 H273 L305 D309V268-K270 PolarHBondContact O-N 2.96Å; K270-G272 PolarHBondContact O-N 3.46Å; K270-H273 PolarHBondContact O-N 2.56Å; K270-L305 PolarHBondContact NZ-O 3.49Å; K270-D309 WeakPolarHBondContact CE-OD1 3.32Å; K270-D309 HydrophobicContact CG-CB 4.31Å; K270-D309 WeakPolarHBondContact CG-OD1 3.24Å
271Q45.2Very low58.5Low193 Ų19377.6 Ų77.690%0.90239%0.39SS*.THydrogen-bonded Turntrans-59.6112.9174.2-67.4-177.7-2.100109.3
272G48Very low58.7Low79 Ų7979.6 Ų79.681%0.81440%0.398SS*.THydrogen-bonded Turntrans110-2.9178.400000116.8K270K270-G272 PolarHBondContact O-N 3.46Å
273H50.8Low58.8Low117 Ų11778.1 Ų78.154%0.54239%0.391SS..SBendtrans-120157.2175.3-74.3-82000113.2T269 K270T269-H273 WeakPolarHBondContact CG2-O 3.49Å; K270-H273 PolarHBondContact O-N 2.56Å
274K45.8Very low59Low186 Ų18676.2 Ų76.281%0.80938%0.375SS*.  trans-54.7138.6178.6-71.5179.5173175.70110.4A276K274-A276 PolarHBondContact O-N 3.17Å
275R51Low59.3Low200 Ų20076.4 Ų76.476%0.75538%0.376SS*.  trans-40.5125.3177.9-72.9179.9168.5-179.9-7.6110.6
276A55.3Low59.4Low6 Ų678.1 Ų78.15%0.0539%0.39CS..  trans-57141.5173.700000109.9L265 T269 K274 V281 V308L265-A276 HydrophobicContact CD2-CB 4.44Å; L265-A276 WeakPolarHBondContact CD2-O 3.49Å; T269-A276 PolarHBondContact OG1-N 3.42Å; K274-A276 PolarHBondContact O-N 3.17Å; A276-V281 HydrophobicContact CB-CG2 4.25Å; A276-V308 HydrophobicContact CB-CG2 3.56Å
277S59.7Low59.5Low60 Ų6075.2 Ų75.242%0.4237%0.369SS..  trans-76.6137.5177.5-37.90000109.5R279 D280 V281S277-R279 PolarHBondContact O-N 2.73Å; S277-R279 VanDerWaalsContact O-N 3.13Å; S277-D280 WeakPolarHBondContact CB-OD2 3.21Å; S277-D280 WeakPolarHBondContact O-CB 3.29Å; S277-D280 PolarHBondContact O-N 2.76Å; S277-D280 PolarHBondContact OG-OD2 3.1Å; S277-V281 PolarHBondContact O-N 2.75Å; S277-V281 VanDerWaalsContact O-N 3.1Å
278L60.4Low59.6Low63 Ų6372 Ų7233%0.3336%0.357SS..Hα-helixtrans-53.6-34.2171.7-70.3174000112.1Q261 L265 V281 F282Q261-L278 HydrophobicContact CB-CD1 4.23Å; Q261-L278 HydrophobicContact CB-CD2 3.9Å; Q261-L278 HydrophobicContact CG-CD1 4.13Å; Q261-L278 HydrophobicContact CG-CD2 3.97Å; L265-L278 HydrophobicContact CD1-CD1 4.41Å; L265-L278 HydrophobicContact CD1-CD2 3.6Å; L265-L278 HydrophobicContact CD1-CG 3.84Å; L265-L278 HydrophobicContact CD2-CD2 3.77Å; L265-L278 HydrophobicContact CD2-CG 4.26Å; L265-L278 HydrophobicContact CG-CD2 3.59Å; L265-L278 HydrophobicContact CG-CG 4.27Å; L278-V281 PolarHBondContact O-N 3.5Å; L278-F282 WeakPolarHBondContact O-CB 3.34Å; L278-F282 PolarHBondContact O-N 3.4Å
279R64.3Low59.6Low203 Ų20374.6 Ų74.677%0.76638%0.376SS*.Hα-helixtrans-60.6-43.1174.4-178.4-178-72-102.90.5112.2S277 Q283S277-R279 PolarHBondContact O-N 2.73Å; S277-R279 VanDerWaalsContact O-N 3.13Å; R279-Q283 WeakPolarHBondContact O-CB 3.32Å; R279-Q283 PolarHBondContact O-N 3.31Å
280D66.9Low59.5Low40 Ų4078.7 Ų78.721%0.21440%0.403CS..Hα-helixtrans-69.8-43.1-179.3-63.8-45.5000110.7S277 Q283 L284 Q304S277-D280 WeakPolarHBondContact CB-OD2 3.21Å; S277-D280 WeakPolarHBondContact O-CB 3.29Å; S277-D280 PolarHBondContact O-N 2.76Å; S277-D280 PolarHBondContact OG-OD2 3.1Å; D280-Q283 PolarHBondContact O-N 2.86Å; D280-L284 WeakPolarHBondContact O-CB 3.38Å; D280-L284 WeakPolarHBondContact O-CD1 3.32Å; D280-L284 VanDerWaalsContact O-CG 3.26Å; D280-L284 WeakPolarHBondContact O-CG 3.05Å; D280-L284 PolarHBondContact O-N 3.27Å; D280-Q304 HydrophobicContact CB-CG 4.17Å; D280-Q304 PolarHBondContact OD1-NE2 3.14Å
281V67.3Low59.4Low1 Ų178.4 Ų78.41%0.00642%0.418CS..Hα-helixtrans-62.9-46.2176.2171.90000111.2V268 A276 S277 L278 L284 Y285 V308 L313V268-V281 HydrophobicContact CG1-CG2 4.33Å; A276-V281 HydrophobicContact CB-CG2 4.25Å; S277-V281 PolarHBondContact O-N 2.75Å; S277-V281 VanDerWaalsContact O-N 3.1Å; L278-V281 PolarHBondContact O-N 3.5Å; V281-L284 WeakPolarHBondContact O-CB 3.28Å; V281-L284 PolarHBondContact O-N 2.84Å; V281-Y285 HydrophobicContact CG1-CD2 3.75Å; V281-Y285 HydrophobicContact CG1-CE2 3.44Å; V281-Y285 VanDerWaalsContact CG1-CE2 3.44Å; V281-Y285 WeakPolarHBondContact O-CD2 3.41Å; V281-Y285 PolarHBondContact O-N 3.36Å; V281-V308 HydrophobicContact CG2-CG2 4.39Å; V281-L313 HydrophobicContact CG1-CD1 3.76Å
282F67.3Low60.1Low73 Ų7370 Ų7032%0.3238%0.379SS..Hα-helixtrans-66.1-40.2177.6-170-98.5000111.8V255 L278 L284 Y285 C286V255-F282 HydrophobicContact CG2-CD2 3.86Å; V255-F282 HydrophobicContact CG2-CE2 3.49Å; V255-F282 VanDerWaalsContact CG2-CE2 3.49Å; V255-F282 HydrophobicContact CG2-CZ 4.17Å; L278-F282 WeakPolarHBondContact O-CB 3.34Å; L278-F282 PolarHBondContact O-N 3.4Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 3.28Å; F282-Y285 CarbonylContact O-C 3.53Å; F282-Y285 PolarHBondContact O-N 3.16Å; F282-Y285 VanDerWaalsContact O-N 3.15Å; F282-C286 WeakPolarHBondContact CE1-SG 3.44Å; F282-C286 PolarHBondContact O-N 2.99Å; F282-C286 PolarHBondContact O-SG 2.65Å; F282-C286 VanDerWaalsContact O-SG 3.32Å
283Q68.1Low60.9Low95 Ų9567.7 Ų67.744%0.44435%0.349SS..Hα-helixtrans-63.3-37.6174.8-171.1175.84.900111.9R279 D280 C286 S287 Q304R279-Q283 WeakPolarHBondContact O-CB 3.32Å; R279-Q283 PolarHBondContact O-N 3.31Å; D280-Q283 PolarHBondContact O-N 2.86Å; Q283-C286 PolarHBondContact O-N 2.94Å; Q283-S287 WeakPolarHBondContact O-CB 3.42Å; Q283-S287 PolarHBondContact O-N 3.35Å; Q283-Q304 VanDerWaalsContact OE1-NE2 3.09Å
284L67.9Low61.4Low2 Ų262.2 Ų62.21%0.0132%0.324CS..Hα-helixtrans-62.7-44.2171.4-75.2158.7000111.3D280 V281 F282 C286 S287 L288 L297 H301 Q304 V308 L313D280-L284 WeakPolarHBondContact O-CB 3.38Å; D280-L284 WeakPolarHBondContact O-CD1 3.32Å; D280-L284 VanDerWaalsContact O-CG 3.26Å; D280-L284 WeakPolarHBondContact O-CG 3.05Å; D280-L284 PolarHBondContact O-N 3.27Å; V281-L284 WeakPolarHBondContact O-CB 3.28Å; V281-L284 PolarHBondContact O-N 2.84Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 3.28Å; L284-C286 PolarHBondContact O-N 2.7Å; L284-S287 PolarHBondContact O-N 2.86Å; L284-L288 PolarHBondContact O-N 3.21Å; L284-L297 HydrophobicContact CD2-CD2 3.8Å; L284-L297 HydrophobicContact CD2-CG 4.44Å; L284-H301 HydrophobicContact CD2-CB 4.13Å; L284-Q304 HydrophobicContact CD1-CB 4.15Å; L284-V308 HydrophobicContact CD1-CG1 4.43Å; L284-L313 HydrophobicContact CB-CD2 4.14Å; L284-L313 HydrophobicContact CD1-CD2 4.06Å
285Y67.6Low62Low3 Ų361.5 Ų61.51%0.01232%0.316CS..Hα-helixtrans-65-35.2175.1-77.7-68.8000113.2V281 F282 L288 L313 G317 L322 I323V281-Y285 HydrophobicContact CG1-CD2 3.75Å; V281-Y285 HydrophobicContact CG1-CE2 3.44Å; V281-Y285 VanDerWaalsContact CG1-CE2 3.44Å; V281-Y285 WeakPolarHBondContact O-CD2 3.41Å; V281-Y285 PolarHBondContact O-N 3.36Å; F282-Y285 CarbonylContact O-C 3.53Å; F282-Y285 PolarHBondContact O-N 3.16Å; F282-Y285 VanDerWaalsContact O-N 3.15Å; Y285-L288 HydrophobicContact CD1-CD1 4.18Å; Y285-L288 WeakPolarHBondContact O-CB 3.38Å; Y285-L288 PolarHBondContact O-N 3.25Å; Y285-L313 HydrophobicContact CE2-CD1 3.71Å; Y285-L313 PolarHBondContact OH-O 3.08Å; Y285-G317 WeakPolarHBondContact OH-CA 3.44Å; Y285-L322 HydrophobicContact CE1-CB 4.45Å; Y285-I323 HydrophobicContact CD1-CD1 3.68Å; Y285-I323 HydrophobicContact CD1-CG1 3.73Å; Y285-I323 HydrophobicContact CE1-CD1 3.34Å; Y285-I323 HydrophobicContact CE1-CG1 3.57Å
286C65.4Low62.5Low68 Ų6855.3 Ų55.346%0.45930%0.299SS..Hα-helixtrans-75.5-24.7176-67.30000113.4F282 Q283 L284F282-C286 WeakPolarHBondContact CE1-SG 3.44Å; F282-C286 PolarHBondContact O-N 2.99Å; F282-C286 PolarHBondContact O-SG 2.65Å; F282-C286 VanDerWaalsContact O-SG 3.32Å; Q283-C286 PolarHBondContact O-N 2.94Å; L284-C286 PolarHBondContact O-N 2.7Å
287S63.1Low62.9Low26 Ų2655.6 Ų55.618%0.18230%0.299CS..Hα-helixtrans-74.9-16.9175.4-166.80000112.4Q283 L284 S289 T292 H301Q283-S287 WeakPolarHBondContact O-CB 3.42Å; Q283-S287 PolarHBondContact O-N 3.35Å; L284-S287 PolarHBondContact O-N 2.86Å; S287-S289 PolarHBondContact O-N 2.83Å; S287-T292 PolarHBondContact O-OG1 3.35Å; S287-T292 VanDerWaalsContact O-OG1 3.14Å; S287-H301 PolarHBondContact OG-NE2 3.02Å
288L65Low62.9Low9 Ų954.9 Ų54.95%0.04729%0.29CS..  trans-71.1112.1168.2-66.5170.1000109.1P247 L284 Y285 L297 I323P247-L288 WeakPolarHBondContact CD-O 3.32Å; P247-L288 WeakPolarHBondContact CG-O 3.19Å; L284-L288 PolarHBondContact O-N 3.21Å; Y285-L288 HydrophobicContact CD1-CD1 4.18Å; Y285-L288 WeakPolarHBondContact O-CB 3.38Å; Y285-L288 PolarHBondContact O-N 3.25Å; L288-L297 HydrophobicContact CD2-CD1 3.54Å; L288-L297 HydrophobicContact CG-CD1 3.84Å; L288-I323 HydrophobicContact CD1-CD1 3.45Å; L288-I323 VanDerWaalsContact CD1-CD1 3.45Å; L288-I323 HydrophobicContact CD1-CG1 4.01Å
289S58.8Low62.9Low56 Ų5654.9 Ų54.939%0.39231%0.305SS..  trans-136.1158.8179.1-760000109.3S287 G291 T292S287-S289 PolarHBondContact O-N 2.83Å; S289-G291 PolarHBondContact O-N 3.36Å; S289-T292 PolarHBondContact N-OG1 3.27Å; S289-T292 VanDerWaalsContact N-OG1 3.09Å; S289-T292 PolarHBondContact O-N 3.31Å; S289-T292 PolarHBondContact O-OG1 3.02Å
290P54.7Low62.8Low111 Ų11151.6 Ų51.672%0.72129%0.292SS*.THydrogen-bonded Turntrans-60.5101.3177.2-11.923.6000109.4
291G54.1Low62.4Low56 Ų5651.6 Ų51.658%0.57729%0.291SS*.THydrogen-bonded Turntrans123.3-6.8-178.800000115.7S289S289-G291 PolarHBondContact O-N 3.36Å
292T61.4Low62Low15 Ų1555.3 Ų55.39%0.09232%0.315CS..  trans-93.7116.1172.4570000110S287 S289S287-T292 PolarHBondContact O-OG1 3.35Å; S287-T292 VanDerWaalsContact O-OG1 3.14Å; S289-T292 PolarHBondContact N-OG1 3.27Å; S289-T292 VanDerWaalsContact N-OG1 3.09Å; S289-T292 PolarHBondContact O-N 3.31Å; S289-T292 PolarHBondContact O-OG1 3.02Å
293T64.2Low61.5Low31 Ų3159.5 Ų59.519%0.1934%0.336CS..BIsolated β-bridgetrans-73.7154.7172.566.30000109.7V244 R295 D296 L297V244-T293 HydrophobicContact CG2-CG2 4.43Å; T293-R295 PolarHBondContact O-N 3.32Å; T293-D296 PolarHBondContact O-N 3.2Å; T293-D296 PolarHBondContact OG1-N 2.88Å; T293-D296 VanDerWaalsContact OG1-N 3.09Å; T293-D296 PolarHBondContact OG1-OD2 3.09Å; T293-L297 PolarHBondContact O-N 3.32Å
294V61.7Low61Low2 Ų256 Ų561%0.01232%0.32CS..Hα-helixtrans-56.5-34172.5179.90000110.9Y241 N243 Y245 L297 I298 I314Y241-V294 HydrophobicContact CD1-CB 4.49Å; Y241-V294 HydrophobicContact CD1-CG1 3.85Å; Y241-V294 HydrophobicContact CE1-CG1 4.41Å; Y241-V294 PolarHBondContact O-N 3.49Å; N243-V294 PolarHBondContact O-N 3.06Å; Y245-V294 HydrophobicContact CD2-CG2 3.39Å; Y245-V294 HydrophobicContact CE2-CG2 3.34Å; V294-L297 PolarHBondContact O-N 3.3Å; V294-I298 HydrophobicContact CG1-CD1 3.87Å; V294-I298 HydrophobicContact CG1-CG1 4.39Å; V294-I298 WeakPolarHBondContact O-CD1 3.43Å; V294-I298 VanDerWaalsContact O-CG1 3.23Å; V294-I298 WeakPolarHBondContact O-CG1 3.38Å; V294-I298 PolarHBondContact O-N 3.15Å; V294-I314 HydrophobicContact CB-CD1 4.38Å; V294-I314 HydrophobicContact CG1-CD1 3.62Å; V294-I314 HydrophobicContact CG2-CD1 3.73Å
295R58Low60.4Low171 Ų17156.8 Ų56.865%0.64532%0.324SS*.Hα-helixtrans-60.9-45.1174.1-173.5-177.9-68.1172.8-0.5112.4Y241 T293 L297 I298 G299Y241-R295 PolarHBondContact O-N 2.95Å; Y241-R295 VanDerWaalsContact O-N 3.08Å; T293-R295 PolarHBondContact O-N 3.32Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-I298 PolarHBondContact O-N 2.95Å; R295-G299 PolarHBondContact O-N 2.99Å
296D61.5Low59.6Low71 Ų7162.8 Ų62.838%0.3835%0.352SS..Hα-helixtrans-68.8-34.5177.5-62.3-41.5000112T293 I298 G299 R300T293-D296 PolarHBondContact O-N 3.2Å; T293-D296 PolarHBondContact OG1-N 2.88Å; T293-D296 VanDerWaalsContact OG1-N 3.09Å; T293-D296 PolarHBondContact OG1-OD2 3.09Å; D296-I298 VanDerWaalsContact C-N 3.34Å; D296-G299 PolarHBondContact O-N 3.07Å; D296-R300 WeakPolarHBondContact O-CB 3.19Å; D296-R300 VanDerWaalsContact O-CG 3.3Å; D296-R300 WeakPolarHBondContact O-CG 3.25Å; D296-R300 PolarHBondContact O-N 2.87Å
297L63.1Low59Low12 Ų1262.9 Ų62.96%0.06335%0.345CS..Hα-helixtrans-64.9-40.3174.4-174137.6000111.4L284 L288 T293 V294 R295 G299 R300 H301L284-L297 HydrophobicContact CD2-CD2 3.8Å; L284-L297 HydrophobicContact CD2-CG 4.44Å; L288-L297 HydrophobicContact CD2-CD1 3.54Å; L288-L297 HydrophobicContact CG-CD1 3.84Å; T293-L297 PolarHBondContact O-N 3.32Å; V294-L297 PolarHBondContact O-N 3.3Å; R295-L297 VanDerWaalsContact C-N 3.33Å; L297-G299 VanDerWaalsContact C-N 3.35Å; L297-R300 PolarHBondContact O-N 2.68Å; L297-H301 PolarHBondContact O-N 2.79Å; L297-H301 VanDerWaalsContact O-N 3.15Å
298I60.8Low58.8Low45 Ų4561.7 Ų61.723%0.23134%0.337CS..Hα-helixtrans-63.5-41.6173.8-69.8164.4000111.3Y241 V294 R295 D296 R300 L305Y241-I298 HydrophobicContact CD1-CD1 3.54Å; Y241-I298 HydrophobicContact CE1-CD1 3.41Å; Y241-I298 VanDerWaalsContact CE1-CD1 3.41Å; V294-I298 HydrophobicContact CG1-CD1 3.87Å; V294-I298 HydrophobicContact CG1-CG1 4.39Å; V294-I298 WeakPolarHBondContact O-CD1 3.43Å; V294-I298 VanDerWaalsContact O-CG1 3.23Å; V294-I298 WeakPolarHBondContact O-CG1 3.38Å; V294-I298 PolarHBondContact O-N 3.15Å; R295-I298 PolarHBondContact O-N 2.95Å; D296-I298 VanDerWaalsContact C-N 3.34Å; I298-R300 PolarHBondContact O-N 3.34Å; I298-L305 HydrophobicContact CB-CD1 4.12Å; I298-L305 HydrophobicContact CG1-CD1 4.13Å; I298-L305 HydrophobicContact CG1-CD2 4.45Å; I298-L305 HydrophobicContact CG2-CD1 4.06Å
299G59.8Low58.6Low62 Ų6263 Ų6364%0.63934%0.344SS*.Hα-helixtrans-65.9-33.2176.700000114R295 D296 L297R295-G299 PolarHBondContact O-N 2.99Å; D296-G299 PolarHBondContact O-N 3.07Å; L297-G299 VanDerWaalsContact C-N 3.35Å
300R61.8Low58.7Low134 Ų13462.7 Ų62.751%0.50634%0.336SS..Hα-helixtrans-84.8-26.8-177.5-71.7-178.7-147.1146.33.5114.6D296 L297 I298 P302D296-R300 WeakPolarHBondContact O-CB 3.19Å; D296-R300 VanDerWaalsContact O-CG 3.3Å; D296-R300 WeakPolarHBondContact O-CG 3.25Å; D296-R300 PolarHBondContact O-N 2.87Å; L297-R300 PolarHBondContact O-N 2.68Å; I298-R300 PolarHBondContact O-N 3.34Å; R300-P302 WeakPolarHBondContact O-CD 3.43Å
301H59.5Low59.2Low40 Ų4063.2 Ų63.219%0.18532%0.324CS..  trans-125.552.6-173.3-62.8-79.8000114.6L284 S287 L297 Q303 Q304 L305L284-H301 HydrophobicContact CD2-CB 4.13Å; S287-H301 PolarHBondContact OG-NE2 3.02Å; L297-H301 PolarHBondContact O-N 2.79Å; L297-H301 VanDerWaalsContact O-N 3.15Å; H301-Q303 VanDerWaalsContact C-N 3.26Å; H301-Q303 PolarHBondContact O-N 2.72Å; H301-Q304 PolarHBondContact ND1-OE1 2.88Å; H301-Q304 PolarHBondContact O-N 2.9Å; H301-L305 VanDerWaalsContact O-CD1 3.22Å; H301-L305 WeakPolarHBondContact O-CD1 3.45Å; H301-L305 WeakPolarHBondContact O-CG 3.22Å; H301-L305 PolarHBondContact O-N 3.1Å
302P59Low59.6Low79 Ų7963.3 Ų63.351%0.51331%0.308SS..THydrogen-bonded Turntrans-63-27.9-177.226.3-34.8000113.9R300R300-P302 WeakPolarHBondContact O-CD 3.43Å
303Q56.4Low59.8Low161 Ų16163.1 Ų63.175%0.75231%0.307SS*.THydrogen-bonded Turntrans-73.4-33.4-179.5-66.5-178-13.500113H301H301-Q303 VanDerWaalsContact C-N 3.26Å; H301-Q303 PolarHBondContact O-N 2.72Å
304Q57Low59.9Low23 Ų2362.1 Ų62.111%0.10730%0.3CS..THydrogen-bonded Turntrans-79-26.9178.8-67.9174-37.900111.6D280 Q283 L284 H301 Q306 H307 V308D280-Q304 HydrophobicContact CB-CG 4.17Å; D280-Q304 PolarHBondContact OD1-NE2 3.14Å; Q283-Q304 VanDerWaalsContact OE1-NE2 3.09Å; L284-Q304 HydrophobicContact CD1-CB 4.15Å; H301-Q304 PolarHBondContact ND1-OE1 2.88Å; H301-Q304 PolarHBondContact O-N 2.9Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.86Å; Q304-H307 PolarHBondContact O-N 3.47Å; Q304-V308 WeakPolarHBondContact O-CB 3.34Å; Q304-V308 PolarHBondContact O-N 3.06Å
305L55.3Low60.1Low17 Ų1762.3 Ų62.39%0.08930%0.301CS..THydrogen-bonded Turntrans-73.7-14.8176.5-72.8154.2000114.4K270 I298 H301 H307 E310K270-L305 PolarHBondContact NZ-O 3.49Å; I298-L305 HydrophobicContact CB-CD1 4.12Å; I298-L305 HydrophobicContact CG1-CD1 4.13Å; I298-L305 HydrophobicContact CG1-CD2 4.45Å; I298-L305 HydrophobicContact CG2-CD1 4.06Å; H301-L305 VanDerWaalsContact O-CD1 3.22Å; H301-L305 WeakPolarHBondContact O-CD1 3.45Å; H301-L305 WeakPolarHBondContact O-CG 3.22Å; H301-L305 PolarHBondContact O-N 3.1Å; L305-H307 PolarHBondContact O-N 2.99Å; L305-E310 HydrophobicContact CD2-CB 3.58Å; L305-E310 HydrophobicContact CD2-CG 4.5Å; L305-E310 WeakPolarHBondContact CD2-OE2 3.42Å
306Q51.9Low60.4Low130 Ų13054.6 Ų54.661%0.60727%0.272SS*.THydrogen-bonded Turntrans-65.8-30.3171.9-73.1-168.7-10.700112Q304Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.86Å
307H51.2Low60.5Low69 Ų6951.2 Ų51.232%0.31925%0.254SS..THydrogen-bonded Turntrans-104.9-16.4-176.9-59.8-54.9000113.8Q304 L305Q304-H307 PolarHBondContact O-N 3.47Å; L305-H307 PolarHBondContact O-N 2.99Å
308V58.8Low60.6Low1 Ų151.6 Ų51.61%0.00626%0.256CS..BIsolated β-bridgetrans-116.6129.5-172168.30000110.8V268 A276 V281 L284 Q304 E310 L313V268-V308 HydrophobicContact CG1-CB 4Å; V268-V308 HydrophobicContact CG1-CG1 3.3Å; V268-V308 HydrophobicContact CG1-CG2 3.92Å; A276-V308 HydrophobicContact CB-CG2 3.56Å; V281-V308 HydrophobicContact CG2-CG2 4.39Å; L284-V308 HydrophobicContact CD1-CG1 4.43Å; Q304-V308 WeakPolarHBondContact O-CB 3.34Å; Q304-V308 PolarHBondContact O-N 3.06Å; V308-E310 PolarHBondContact O-N 3.32Å; V308-L313 HydrophobicContact CG1-CB 4.08Å; V308-L313 HydrophobicContact CG1-CD2 4.03Å; V308-L313 HydrophobicContact CG1-CG 4.48Å
309D62.7Low60.6Low38 Ų3850.9 Ų50.920%0.20325%0.252CS..  trans-74.4101.8165.2-87.4-31.8000109.8V268 K270 R311 K312 L313V268-D309 PolarHBondContact O-N 2.85Å; K270-D309 WeakPolarHBondContact CE-OD1 3.32Å; K270-D309 HydrophobicContact CG-CB 4.31Å; K270-D309 WeakPolarHBondContact CG-OD1 3.24Å; D309-R311 PolarHBondContact O-N 3.19Å; D309-R311 VanDerWaalsContact O-N 3.14Å; D309-K312 HydrophobicContact CB-CB 3.85Å; D309-K312 HydrophobicContact CB-CD 3.91Å; D309-K312 HydrophobicContact CB-CG 3.91Å; D309-K312 PolarHBondContact O-N 3.42Å; D309-K312 VanDerWaalsContact O-N 3.1Å; D309-K312 WeakPolarHBondContact OD2-CE 3.13Å; D309-K312 IonicContact OD2-NZ 3.86Å; D309-K312 PolarHBondContact OD2-NZ 3.39Å; D309-L313 WeakPolarHBondContact O-CB 3.49Å; D309-L313 PolarHBondContact O-N 2.95Å
310E60.8Low60.7Low48 Ų4852.8 Ų52.822%0.22424%0.243CC..Hα-helixtrans-49-39.217864.1-159.7-150.100113.7Y241 L305 V308 I314Y241-E310 WeakPolarHBondContact CE1-OE1 3.27Å; Y241-E310 PolarHBondContact OH-OE1 3.47Å; L305-E310 HydrophobicContact CD2-CB 3.58Å; L305-E310 HydrophobicContact CD2-CG 4.5Å; L305-E310 WeakPolarHBondContact CD2-OE2 3.42Å; V308-E310 PolarHBondContact O-N 3.32Å; E310-I314 WeakPolarHBondContact O-CG1 3.42Å; E310-I314 PolarHBondContact O-N 3.02Å
311R63.7Low60.6Low122 Ų12251.1 Ų51.146%0.4624%0.244SC..Hα-helixtrans-73.5-40.5-177.7-57.4-170.9177.4165.71.8111.8F203 L239 Y241 D309 Q315F203-R311 HydrophobicContact CD1-CB 4.39Å; F203-R311 HydrophobicContact CE1-CB 3.46Å; F203-R311 VanDerWaalsContact CE1-CB 3.46Å; F203-R311 HydrophobicContact CE1-CG 4.47Å; F203-R311 HydrophobicContact CZ-CB 3.69Å; L239-R311 HydrophobicContact CD2-CB 3.97Å; L239-R311 HydrophobicContact CD2-CG 3.77Å; Y241-R311 PolarHBondContact OH-NE 3.19Å; Y241-R311 PolarHBondContact OH-NH2 2.88Å; D309-R311 PolarHBondContact O-N 3.19Å; D309-R311 VanDerWaalsContact O-N 3.14Å; R311-Q315 WeakPolarHBondContact O-CB 3.38Å; R311-Q315 PolarHBondContact O-N 3.23Å
312K63.1Low60.7Low58 Ų5849.4 Ų49.425%0.25224%0.236SC..Hα-helixtrans-73.2-32.8177.6-66.5-175.6-171.4151.70111.8F203 Y267 D309 Q315 F316F203-K312 HydrophobicContact CZ-CG 4.39Å; Y267-K312 HydrophobicContact CD1-CB 3.9Å; Y267-K312 HydrophobicContact CE1-CB 3.85Å; Y267-K312 HydrophobicContact CE1-CG 4.19Å; Y267-K312 WeakPolarHBondContact O-CD 3.49Å; D309-K312 HydrophobicContact CB-CB 3.85Å; D309-K312 HydrophobicContact CB-CD 3.91Å; D309-K312 HydrophobicContact CB-CG 3.91Å; D309-K312 PolarHBondContact O-N 3.42Å; D309-K312 VanDerWaalsContact O-N 3.1Å; D309-K312 WeakPolarHBondContact OD2-CE 3.13Å; D309-K312 IonicContact OD2-NZ 3.86Å; D309-K312 PolarHBondContact OD2-NZ 3.39Å; K312-Q315 PolarHBondContact O-N 3.4Å; K312-F316 WeakPolarHBondContact O-CB 3.38Å; K312-F316 PolarHBondContact O-N 3.05Å
313L65.1Low60.8Low12 Ų1245.8 Ų45.86%0.06321%0.213CC..Hα-helixtrans-60.2-51.8172.8-179.569.6000111.2V268 V281 L284 Y285 V308 D309 Q315 F316 G317V268-L313 HydrophobicContact CG1-CB 4.22Å; V268-L313 HydrophobicContact CG1-CD1 4.01Å; V268-L313 HydrophobicContact CG2-CB 4.27Å; V268-L313 HydrophobicContact CG2-CD1 3.88Å; V281-L313 HydrophobicContact CG1-CD1 3.76Å; L284-L313 HydrophobicContact CB-CD2 4.14Å; L284-L313 HydrophobicContact CD1-CD2 4.06Å; Y285-L313 HydrophobicContact CE2-CD1 3.71Å; Y285-L313 PolarHBondContact OH-O 3.08Å; V308-L313 HydrophobicContact CG1-CB 4.08Å; V308-L313 HydrophobicContact CG1-CD2 4.03Å; V308-L313 HydrophobicContact CG1-CG 4.48Å; D309-L313 WeakPolarHBondContact O-CB 3.49Å; D309-L313 PolarHBondContact O-N 2.95Å; L313-Q315 VanDerWaalsContact C-N 3.34Å; L313-F316 PolarHBondContact O-N 3.08Å; L313-G317 PolarHBondContact O-N 3.46Å
314I66.3Low60.6Low9 Ų945 Ų455%0.04620%0.203CC..Hα-helixtrans-69.8-35.9-179.5-62.6165000110.7L239 Y245 V294 E310 G317 L318L239-I314 HydrophobicContact CD1-CB 3.44Å; L239-I314 VanDerWaalsContact CD1-CB 3.44Å; L239-I314 HydrophobicContact CD1-CD1 3.72Å; L239-I314 HydrophobicContact CD1-CG1 4.17Å; L239-I314 HydrophobicContact CD1-CG2 3.2Å; Y245-I314 HydrophobicContact CD1-CG2 4.47Å; Y245-I314 HydrophobicContact CD2-CG2 4.42Å; Y245-I314 HydrophobicContact CE1-CG2 4.05Å; Y245-I314 HydrophobicContact CE2-CG2 4.02Å; V294-I314 HydrophobicContact CB-CD1 4.38Å; V294-I314 HydrophobicContact CG1-CD1 3.62Å; V294-I314 HydrophobicContact CG2-CD1 3.73Å; E310-I314 WeakPolarHBondContact O-CG1 3.42Å; E310-I314 PolarHBondContact O-N 3.02Å; I314-G317 PolarHBondContact O-N 2.82Å; I314-L318 HydrophobicContact CG2-CD1 3.77Å; I314-L318 HydrophobicContact CG2-CG 4.22Å; I314-L318 WeakPolarHBondContact O-CB 2.84Å; I314-L318 VanDerWaalsContact O-CG 3.25Å; I314-L318 WeakPolarHBondContact O-CG 3.19Å; I314-L318 PolarHBondContact O-N 2.83Å
315Q65.4Low60.8Low7 Ų745 Ų453%0.03320%0.202CC..Hα-helixtrans-60.1-48.1173.8-175.3-178.341.400112.1V176 G202 Y267 R311 K312 L313 G317 L318 M319V176-Q315 HydrophobicContact CG1-CG 4.27Å; V176-Q315 HydrophobicContact CG2-CG 4.09Å; G202-Q315 VanDerWaalsContact CA-NE2 3.31Å; G202-Q315 PolarHBondContact O-NE2 3.15Å; Y267-Q315 HydrophobicContact CE1-CG 4.45Å; Y267-Q315 VanDerWaalsContact CE1-OE1 3.26Å; Y267-Q315 VanDerWaalsContact OH-CD 3.22Å; Y267-Q315 PolarHBondContact OH-OE1 2.86Å; R311-Q315 WeakPolarHBondContact O-CB 3.38Å; R311-Q315 PolarHBondContact O-N 3.23Å; K312-Q315 PolarHBondContact O-N 3.4Å; L313-Q315 VanDerWaalsContact C-N 3.34Å; Q315-G317 VanDerWaalsContact C-N 3.34Å; Q315-L318 PolarHBondContact O-N 3.5Å; Q315-M319 HydrophobicContact CG-CE 4.38Å; Q315-M319 WeakPolarHBondContact O-CB 3.34Å; Q315-M319 VanDerWaalsContact O-CG 3.32Å; Q315-M319 WeakPolarHBondContact O-CG 3.44Å; Q315-M319 PolarHBondContact O-N 3.16Å
316F65.2Low60.7Low9 Ų945.9 Ų45.94%0.03921%0.206CC..Hα-helixtrans-64.3-41175.8-172.9-88.6000111.5L254 L260 A263 C264 Y267 K312 L313 L318 M319 K320 L322L254-F316 HydrophobicContact CD1-CE1 4.41Å; L260-F316 HydrophobicContact CD2-CE1 3.77Å; L260-F316 HydrophobicContact CD2-CZ 3.92Å; L260-F316 HydrophobicContact CG-CZ 4.24Å; A263-F316 HydrophobicContact CB-CE2 4.3Å; A263-F316 HydrophobicContact CB-CZ 4.42Å; C264-F316 HydrophobicContact CB-CD1 3.92Å; C264-F316 HydrophobicContact CB-CE1 3.36Å; C264-F316 HydrophobicContact CB-CE2 4.28Å; C264-F316 HydrophobicContact CB-CZ 3.56Å; C264-F316 VanDerWaalsContact SG-CD1 3.53Å; C264-F316 VanDerWaalsContact SG-CE1 3.56Å; Y267-F316 HydrophobicContact CD1-CB 4Å; Y267-F316 HydrophobicContact CD1-CD2 4.22Å; Y267-F316 HydrophobicContact CE1-CB 4.49Å; Y267-F316 HydrophobicContact CG-CD2 4.23Å; K312-F316 WeakPolarHBondContact O-CB 3.38Å; K312-F316 PolarHBondContact O-N 3.05Å; L313-F316 PolarHBondContact O-N 3.08Å; F316-L318 VanDerWaalsContact C-N 3.31Å; F316-L318 PolarHBondContact O-N 3.02Å; F316-M319 PolarHBondContact O-N 3.41Å; F316-K320 HydrophobicContact CD1-CG 4.34Å; F316-K320 HydrophobicContact CE1-CG 3.92Å; F316-K320 HydrophobicContact CE2-CG 4.3Å; F316-K320 HydrophobicContact CZ-CG 3.91Å; F316-K320 PolarHBondContact O-N 2.96Å; F316-L322 HydrophobicContact CD1-CD1 3.92Å; F316-L322 HydrophobicContact CE1-CD1 3.86Å
317G64.8Low60.6Low0 Ų041.3 Ų41.30%019%0.185CC..Hα-helixtrans-56.6-43.1174.400000112.8Y285 L313 I314 Q315 N321 L322 I323Y285-G317 WeakPolarHBondContact OH-CA 3.44Å; L313-G317 PolarHBondContact O-N 3.46Å; I314-G317 PolarHBondContact O-N 2.82Å; Q315-G317 VanDerWaalsContact C-N 3.34Å; G317-N321 CarbonylContact O-C 3.59Å; G317-N321 PolarHBondContact O-N 2.81Å; G317-L322 WeakPolarHBondContact O-CB 3.07Å; G317-L322 PolarHBondContact O-N 3.04Å; G317-I323 PolarHBondContact O-N 3.49Å
318L64.3Low60.7Low20 Ų2039.3 Ų39.311%0.10518%0.175CC..Hα-helixtrans-76.2-41.3177.5-68.2166.1000112.3V236 Y245 I314 Q315 F316 K320 N321 I323 R325V236-L318 HydrophobicContact CG1-CB 3.46Å; V236-L318 VanDerWaalsContact CG1-CB 3.46Å; V236-L318 HydrophobicContact CG1-CD1 3.47Å; V236-L318 VanDerWaalsContact CG1-CD1 3.47Å; V236-L318 HydrophobicContact CG1-CG 4.08Å; V236-L318 HydrophobicContact CG2-CB 4.42Å; Y245-L318 HydrophobicContact CD1-CD2 4.2Å; Y245-L318 HydrophobicContact CE1-CD1 3.91Å; Y245-L318 HydrophobicContact CE1-CD2 3.95Å; Y245-L318 HydrophobicContact CE1-CG 4.34Å; I314-L318 HydrophobicContact CG2-CD1 3.77Å; I314-L318 HydrophobicContact CG2-CG 4.22Å; I314-L318 WeakPolarHBondContact O-CB 2.84Å; I314-L318 VanDerWaalsContact O-CG 3.25Å; I314-L318 WeakPolarHBondContact O-CG 3.19Å; I314-L318 PolarHBondContact O-N 2.83Å; Q315-L318 PolarHBondContact O-N 3.5Å; F316-L318 VanDerWaalsContact C-N 3.31Å; F316-L318 PolarHBondContact O-N 3.02Å; L318-K320 VanDerWaalsContact C-N 3.29Å; L318-K320 PolarHBondContact O-N 3.29Å; L318-N321 PolarHBondContact O-N 3Å; L318-N321 VanDerWaalsContact O-N 3.09Å; L318-I323 HydrophobicContact CD2-CB 4.49Å; L318-I323 HydrophobicContact CD2-CG2 4.21Å; L318-R325 HydrophobicContact CD2-CB 4.45Å
319M61.2Low60.2Low30 Ų3041.2 Ų41.215%0.14818%0.183CC..Hα-helixtrans-55.4-43.5176.4-83.6-173.9172.600112.9V176 F177 V236 Q315 F316 N321V176-M319 HydrophobicContact CB-CE 3.25Å; V176-M319 HydrophobicContact CG1-CE 2.96Å; V176-M319 HydrophobicContact CG2-CE 4.09Å; F177-M319 WeakPolarHBondContact O-CE 3.48Å; V236-M319 HydrophobicContact CG2-CG 3.96Å; Q315-M319 HydrophobicContact CG-CE 4.38Å; Q315-M319 WeakPolarHBondContact O-CB 3.34Å; Q315-M319 VanDerWaalsContact O-CG 3.32Å; Q315-M319 WeakPolarHBondContact O-CG 3.44Å; Q315-M319 PolarHBondContact O-N 3.16Å; F316-M319 PolarHBondContact O-N 3.41Å; M319-N321 VanDerWaalsContact C-N 3.31Å
320K62.4Low59.4Low101 Ų10139.4 Ų39.444%0.43917%0.173SC..THydrogen-bonded Turntrans-91.14.3-177.9-62.9-65.4-175.21780112.5L260 F316 L318 L322L260-K320 HydrophobicContact CD1-CD 4.38Å; F316-K320 HydrophobicContact CD1-CG 4.34Å; F316-K320 HydrophobicContact CE1-CG 3.92Å; F316-K320 HydrophobicContact CE2-CG 4.3Å; F316-K320 HydrophobicContact CZ-CG 3.91Å; F316-K320 PolarHBondContact O-N 2.96Å; L318-K320 VanDerWaalsContact C-N 3.29Å; L318-K320 PolarHBondContact O-N 3.29Å; K320-L322 HydrophobicContact CB-CD1 3.6Å; K320-L322 HydrophobicContact CB-CG 3.85Å; K320-L322 HydrophobicContact CG-CD1 4.32Å; K320-L322 PolarHBondContact O-N 3.03Å
321N59.4Low58.5Low100 Ų10039.4 Ų39.454%0.53518%0.176SC..THydrogen-bonded Turntrans55.425.6-174.8-59.4-75.6000113.7T248 G317 L318 M319T248-N321 WeakPolarHBondContact CG2-O 3.48Å; T248-N321 PolarHBondContact OG1-O 3.24Å; G317-N321 CarbonylContact O-C 3.59Å; G317-N321 PolarHBondContact O-N 2.81Å; L318-N321 PolarHBondContact O-N 3Å; L318-N321 VanDerWaalsContact O-N 3.09Å; M319-N321 VanDerWaalsContact C-N 3.31Å
322L59.9Low57.5Low4 Ų437.4 Ų37.42%0.02117%0.169CC..SBendtrans-68-31.5172.3-66.3153.3000110.3T248 K250 V251 L254 L260 Y285 F316 G317 K320T248-L322 PolarHBondContact N-O 2.85Å; T248-L322 PolarHBondContact OG1-O 3.26Å; K250-L322 WeakPolarHBondContact O-CD2 3.17Å; V251-L322 HydrophobicContact CG1-CB 4.17Å; V251-L322 HydrophobicContact CG1-CD2 4.33Å; V251-L322 VanDerWaalsContact CG1-O 3.24Å; V251-L322 WeakPolarHBondContact CG1-O 3.16Å; L254-L322 HydrophobicContact CB-CD2 3.81Å; L254-L322 HydrophobicContact CD1-CD1 3.53Å; L254-L322 HydrophobicContact CD1-CD2 3.65Å; L254-L322 HydrophobicContact CD1-CG 4.24Å; L254-L322 HydrophobicContact CG-CD2 4.38Å; L260-L322 HydrophobicContact CD2-CD1 4.49Å; Y285-L322 HydrophobicContact CE1-CB 4.45Å; F316-L322 HydrophobicContact CD1-CD1 3.92Å; F316-L322 HydrophobicContact CE1-CD1 3.86Å; G317-L322 WeakPolarHBondContact O-CB 3.07Å; G317-L322 PolarHBondContact O-N 3.04Å; K320-L322 HydrophobicContact CB-CD1 3.6Å; K320-L322 HydrophobicContact CB-CG 3.85Å; K320-L322 HydrophobicContact CG-CD1 4.32Å; K320-L322 PolarHBondContact O-N 3.03Å
323I61Low56.7Low3 Ų339.3 Ų39.32%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-115.9135.1174.6-67.6174.3000108Y245 C246 Y285 L288 G317 L318Y245-I323 VanDerWaalsContact CB-CG2 3.45Å; Y245-I323 HydrophobicContact CD1-CG2 3.44Å; Y245-I323 VanDerWaalsContact CD1-CG2 3.44Å; Y245-I323 HydrophobicContact CG-CG2 3.77Å; C246-I323 WeakPolarHBondContact O-CA 3.42Å; Y285-I323 HydrophobicContact CD1-CD1 3.68Å; Y285-I323 HydrophobicContact CD1-CG1 3.73Å; Y285-I323 HydrophobicContact CE1-CD1 3.34Å; Y285-I323 HydrophobicContact CE1-CG1 3.57Å; L288-I323 HydrophobicContact CD1-CD1 3.45Å; L288-I323 VanDerWaalsContact CD1-CD1 3.45Å; L288-I323 HydrophobicContact CD1-CG1 4.01Å; G317-I323 PolarHBondContact O-N 3.49Å; L318-I323 HydrophobicContact CD2-CB 4.49Å; L318-I323 HydrophobicContact CD2-CG2 4.21Å
324R53.7Low55.4Low145 Ų14541.6 Ų41.655%0.54720%0.202SC..EExtended strand (participates in β ladder)trans-101.9127.4163.1-177.6173.9177.5-168.5-3.5108.6C246 T248 K380C246-R324 PolarHBondContact N-O 3.47Å; C246-R324 PolarHBondContact O-N 2.93Å; T248-R324 HydrophobicContact CG2-CB 3.76Å; R324-K380 VanDerWaalsContact CZ-OXT 3.29Å; R324-K380 PolarHBondContact NH2-OXT 2.82Å
325R60.3Low54.3Low22 Ų2253 Ų538%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-71130.7167.5-174174.4173.2-164.9-5.1108.7S237 I238 N243 Y245 L318 Q327 D352S237-R325 VanDerWaalsContact OG-CD 3.24Å; S237-R325 WeakPolarHBondContact OG-CD 3.28Å; I238-R325 PolarHBondContact O-NH1 3.44Å; N243-R325 VanDerWaalsContact CG-CZ 3.4Å; N243-R325 VanDerWaalsContact CG-NH2 3.29Å; N243-R325 PolarHBondContact ND2-NE 3.29Å; N243-R325 PolarHBondContact ND2-NH2 2.8Å; N243-R325 VanDerWaalsContact ND2-NH2 3.11Å; N243-R325 PolarHBondContact OD1-NE 3.25Å; N243-R325 PolarHBondContact OD1-NH2 2.97Å; Y245-R325 HydrophobicContact CD1-CB 3.93Å; Y245-R325 HydrophobicContact CD1-CG 4.2Å; Y245-R325 HydrophobicContact CE1-CB 3.78Å; Y245-R325 HydrophobicContact CE1-CG 3.84Å; L318-R325 HydrophobicContact CD2-CB 4.45Å; R325-Q327 HydrophobicContact CG-CG 4.37Å; R325-D352 IonicContact CZ-OD1 3.97Å; R325-D352 IonicContact CZ-OD2 3.95Å; R325-D352 IonicContact NH1-OD2 3.15Å; R325-D352 PolarHBondContact NH1-OD2 3.06Å; R325-D352 VanDerWaalsContact NH2-CG 3.29Å; R325-D352 IonicContact NH2-OD1 3.35Å; R325-D352 PolarHBondContact NH2-OD1 3.48Å; R325-D352 IonicContact NH2-OD2 3.62Å; R325-D352 PolarHBondContact NH2-OD2 3.48Å
326L53.4Low52.9Low36 Ų3660.5 Ų60.519%0.18828%0.279CS..EExtended strand (participates in β ladder)trans-86.7117.5166.3-104.1126.7000108.1V244 C246 W379V244-L326 PolarHBondContact O-N 3.43Å; V244-L326 VanDerWaalsContact O-N 3.07Å; C246-L326 HydrophobicContact CB-CD1 3.77Å; C246-L326 WeakPolarHBondContact SG-CD1 3.3Å; L326-W379 HydrophobicContact CB-CE3 4.19Å; L326-W379 HydrophobicContact CD2-CB 3.52Å; L326-W379 HydrophobicContact CD2-CE3 4.22Å; L326-W379 HydrophobicContact CD2-CG 4.45Å
327Q51Low51.8Low34 Ų3467.5 Ų67.516%0.15931%0.312CS..PPolyproline II helixtrans-95136.3175.7-74.3176.8-2200108.6R325 Y329 K380R325-Q327 HydrophobicContact CG-CG 4.37Å; Q327-Y329 HydrophobicContact CB-CD2 4.13Å; Q327-Y329 HydrophobicContact CB-CE2 3.5Å; Q327-Y329 VanDerWaalsContact CB-CE2 3.5Å; Q327-Y329 VanDerWaalsContact O-CD2 3.29Å; Q327-Y329 WeakPolarHBondContact O-CD2 3.23Å; Q327-Y329 PolarHBondContact O-N 3.34Å; Q327-Y329 PolarHBondContact OE1-OH 3.27Å; Q327-K380 PolarHBondContact N-O 3.06Å; Q327-K380 PolarHBondContact O-N 3.02Å
328K53.5Low50.8Low26 Ų2675.5 Ų75.511%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-74.8120.6168.2-69.6-178.2-179.7-177.40107.9Y351 Y362 D366 I377 W379K328-Y351 HydrophobicContact CB-CD2 3.75Å; K328-Y351 HydrophobicContact CB-CE2 4.21Å; K328-Y351 HydrophobicContact CB-CG 4.21Å; K328-Y351 HydrophobicContact CD-CE2 4.42Å; K328-Y351 PolarHBondContact O-N 3.09Å; K328-Y362 VanDerWaalsContact CE-OH 3.32Å; K328-Y362 WeakPolarHBondContact CE-OH 3.48Å; K328-Y362 PolarHBondContact NZ-OH 3.47Å; K328-D366 IonicContact NZ-OD1 2.79Å; K328-D366 PolarHBondContact NZ-OD1 3.4Å; K328-D366 IonicContact NZ-OD2 2.95Å; K328-D366 PolarHBondContact NZ-OD2 3.44Å; K328-D366 VanDerWaalsContact NZ-OD2 3.15Å; K328-I377 HydrophobicContact CB-CG2 3.75Å; K328-I377 HydrophobicContact CD-CG2 4.02Å; K328-I377 HydrophobicContact CG-CG2 3.77Å; K328-W379 HydrophobicContact CD-CH2 4.12Å; K328-W379 HydrophobicContact CD-CZ2 4.26Å; K328-W379 HydrophobicContact CD-CZ3 4.5Å; K328-W379 HydrophobicContact CG-CD2 4.16Å; K328-W379 HydrophobicContact CG-CE3 3.9Å; K328-W379 HydrophobicContact CG-CH2 3.78Å; K328-W379 HydrophobicContact CG-CZ2 4.01Å; K328-W379 HydrophobicContact CG-CZ3 3.71Å
329Y48.3Very low49.7Very low41 Ų4178 Ų7816%0.16137%0.369CS..EExtended strand (participates in β ladder)trans-110.4101.8172.6-71.4-92.3000108.4Q327 V331 G347 H349 C378 K380Q327-Y329 HydrophobicContact CB-CD2 4.13Å; Q327-Y329 HydrophobicContact CB-CE2 3.5Å; Q327-Y329 VanDerWaalsContact CB-CE2 3.5Å; Q327-Y329 VanDerWaalsContact O-CD2 3.29Å; Q327-Y329 WeakPolarHBondContact O-CD2 3.23Å; Q327-Y329 PolarHBondContact O-N 3.34Å; Q327-Y329 PolarHBondContact OE1-OH 3.27Å; Y329-V331 PolarHBondContact O-N 3.09Å; Y329-G347 WeakPolarHBondContact CD1-O 3.48Å; Y329-H349 WeakPolarHBondContact CD1-O 3.43Å; Y329-C378 WeakPolarHBondContact CA-O 3.12Å; Y329-C378 WeakPolarHBondContact CB-O 3.18Å; Y329-C378 PolarHBondContact N-O 3.2Å; Y329-C378 PolarHBondContact O-N 3Å; Y329-K380 HydrophobicContact CD2-CB 3.54Å; Y329-K380 HydrophobicContact CE2-CB 3.69Å
330P45Very low48.9Very low0 Ų085.6 Ų85.60%040%0.404CS..EExtended strand (participates in β ladder)trans-71.2122.6175.426.3-29.8000109.6Y345 G347 Y351 I354 L369 I375P330-Y345 HydrophobicContact CB-CD1 4.27Å; P330-Y345 HydrophobicContact CG-CD1 4.01Å; P330-Y345 HydrophobicContact CG-CE1 4.46Å; P330-G347 PolarHBondContact O-N 3.43Å; P330-Y351 HydrophobicContact CG-CD2 4.18Å; P330-Y351 HydrophobicContact CG-CE2 4.2Å; P330-I354 HydrophobicContact CG-CD1 3.58Å; P330-L369 HydrophobicContact CB-CD1 3.82Å; P330-L369 HydrophobicContact CB-CD2 4.48Å; P330-L369 HydrophobicContact CG-CD1 4.05Å; P330-I375 HydrophobicContact CB-CG2 3.63Å
331V42.4Very low48Very low48 Ų4882.9 Ų82.929%0.29140%0.396SS..EExtended strand (participates in β ladder)trans-110.3113.4176.1-176.20000107.7Y329 I376 C378Y329-V331 PolarHBondContact O-N 3.09Å; V331-I376 PolarHBondContact N-O 3.05Å; V331-I376 PolarHBondContact O-N 3.21Å; V331-C378 HydrophobicContact CG2-CB 4.18Å
332R42.9Very low47Very low80 Ų8079.7 Ų79.730%0.30238%0.384SS..EExtended strand (participates in β ladder)trans-82.5125.8174.1-175.7170.3158.8157.8-7.8109.7S334 E336 Y345 N374 I375R332-S334 PolarHBondContact NE-O 3.34Å; R332-E336 PolarHBondContact NH2-O 2.74Å; R332-Y345 PolarHBondContact N-O 2.83Å; R332-N374 WeakPolarHBondContact CA-O 3.45Å; R332-I375 HydrophobicContact CB-CG1 4.32Å; R332-I375 HydrophobicContact CG-CG1 4.3Å
333V46Very low46.3Very low99 Ų9990 Ų9060%0.642%0.422SS*.  trans-88-16-172.6-178.70000113.1N374 I376V333-N374 PolarHBondContact N-O 2.88Å; V333-I376 HydrophobicContact CG2-CB 4.48Å; V333-I376 HydrophobicContact CG2-CD1 3.5Å; V333-I376 VanDerWaalsContact CG2-CD1 3.5Å; V333-I376 HydrophobicContact CG2-CG1 3.76Å
334S36.1Very low45.4Very low59 Ų5991 Ų9141%0.41343%0.428SS..  trans-116.8123.7-177.4-156.70000114.2R332 E336R332-S334 PolarHBondContact NE-O 3.34Å; S334-E336 PolarHBondContact O-N 2.98Å
335R44.8Very low45.3Very low250 Ų25085 Ų8594%0.94341%0.405SS*.  trans-86.279.4175.9-90.6-176.4165.4-178.2-2.6110.4
336E35.6Very low44.6Very low164 Ų16487.9 Ų87.977%0.76643%0.425SS*.  trans-144160.7157.5-72.5-163.1168.400111.3R332 S334R332-E336 PolarHBondContact NH2-O 2.74Å; S334-E336 PolarHBondContact O-N 2.98Å
337E41.9Very low44.2Very low156 Ų15687.1 Ų87.173%0.72943%0.426SS*.  trans-76.1160-130.7-66.6-177.6125.700119.7
338Q44.2Very low43.7Very low168 Ų16890 Ų9079%0.78545%0.449SS*.  trans54.782.5144.6-67.7168.23200118.8
339S40.2Very low43.2Very low73 Ų7391 Ų9151%0.5145%0.454SS..  trans-152.8144144.519.20000109.3P341 A342S339-P341 VanDerWaalsContact C-N 3.26Å; S339-P341 VanDerWaalsContact O-CD 3.3Å; S339-P341 WeakPolarHBondContact O-CD 3.16Å; S339-A342 WeakPolarHBondContact O-CB 3.47Å; S339-A342 PolarHBondContact O-N 2.94Å
340H44Very low43.4Very low189 Ų18989 Ų8988%0.87545%0.446SS*.THydrogen-bonded Turntrans-60.5-8.8-171.3-92.6-84.9000117.8
341P44.1Very low43.8Very low43 Ų4389.2 Ų89.228%0.27945%0.447SS..THydrogen-bonded Turntrans-91.5-10.8163.86.111.8000114.4S339 R343 L344 Y345S339-P341 VanDerWaalsContact C-N 3.26Å; S339-P341 VanDerWaalsContact O-CD 3.3Å; S339-P341 WeakPolarHBondContact O-CD 3.16Å; P341-R343 PolarHBondContact O-N 3.41Å; P341-R343 VanDerWaalsContact O-N 3.14Å; P341-L344 PolarHBondContact O-N 3.22Å; P341-Y345 HydrophobicContact CB-CE2 4.14Å; P341-Y345 WeakPolarHBondContact O-CD2 3.32Å; P341-Y345 VanDerWaalsContact O-CE2 3.27Å; P341-Y345 WeakPolarHBondContact O-CE2 3.1Å
342A38.5Very low44.2Very low33 Ų3387.1 Ų87.127%0.27343%0.434SS..THydrogen-bonded Turntrans-70.1-10.5-174.600000114.4S339S339-A342 WeakPolarHBondContact O-CB 3.47Å; S339-A342 PolarHBondContact O-N 2.94Å
343R44.9Very low44.8Very low220 Ų22084.7 Ų84.783%0.8343%0.426SS*.THydrogen-bonded Turntrans-83.3-14.5175.9-87.5-179168.7174.8-2.7114.2P341P341-R343 PolarHBondContact O-N 3.41Å; P341-R343 VanDerWaalsContact O-N 3.14Å
344L43.7Very low45.2Very low25 Ų2580 Ų8013%0.13140%0.398CS..SBendtrans-96.1-12.1-176.6-70.7160.1000113.3P341 T346 H349 I354 K357 T358P341-L344 PolarHBondContact O-N 3.22Å; L344-T346 VanDerWaalsContact C-N 3.29Å; L344-T346 PolarHBondContact O-N 3.38Å; L344-T346 VanDerWaalsContact O-N 3.17Å; L344-H349 PolarHBondContact O-CD2 3.14Å; L344-I354 HydrophobicContact CB-CG1 4.31Å; L344-K357 HydrophobicContact CD1-CB 4.32Å; L344-K357 HydrophobicContact CD1-CD 4.36Å; L344-K357 HydrophobicContact CD2-CD 3.74Å; L344-T358 HydrophobicContact CD1-CG2 4.5Å
345Y50.3Low46Very low20 Ų2078 Ų788%0.07838%0.384CS..  trans-89.948.4-178.3-55.4-57.7000113.3P330 R332 P341 I354 L369P330-Y345 HydrophobicContact CB-CD1 4.27Å; P330-Y345 HydrophobicContact CG-CD1 4.01Å; P330-Y345 HydrophobicContact CG-CE1 4.46Å; R332-Y345 PolarHBondContact N-O 2.83Å; P341-Y345 HydrophobicContact CB-CE2 4.14Å; P341-Y345 WeakPolarHBondContact O-CD2 3.32Å; P341-Y345 VanDerWaalsContact O-CE2 3.27Å; P341-Y345 WeakPolarHBondContact O-CE2 3.1Å; Y345-I354 HydrophobicContact CD1-CD1 4.12Å; Y345-I354 HydrophobicContact CE1-CD1 4.18Å; Y345-I354 HydrophobicContact CE1-CG2 4.31Å; Y345-L369 HydrophobicContact CE1-CD2 4.11Å
346T45.8Very low46.3Very low81 Ų8168.2 Ų68.250%0.49735%0.353SS..BIsolated β-bridgetrans-961.7-178.148.80000113.7L344 C348L344-T346 VanDerWaalsContact C-N 3.29Å; L344-T346 PolarHBondContact O-N 3.38Å; L344-T346 VanDerWaalsContact O-N 3.17Å; T346-C348 PolarHBondContact O-N 2.81Å
347G45.3Very low47.2Very low20 Ų2066.7 Ų66.721%0.20634%0.344CS..SBendtrans75.82.4-173.800000115Y329 P330Y329-G347 WeakPolarHBondContact CD1-O 3.48Å; P330-G347 PolarHBondContact O-N 3.43Å
348C40.4Very low47.6Very low95 Ų9561.4 Ų61.464%0.64232%0.322SS*.SBendtrans-103.8-15.2176.8-620000113.5T346T346-C348 PolarHBondContact O-N 2.81Å
349H43.6Very low47.7Very low46 Ų4656.8 Ų56.821%0.21332%0.32CS..SBendtrans-101124.2-179.6-64.8-61.3000109.7Y329 L344 E353 I354Y329-H349 WeakPolarHBondContact CD1-O 3.43Å; L344-H349 PolarHBondContact O-CD2 3.14Å; H349-E353 HydrophobicContact CB-CB 4.36Å; H349-E353 IonicContact CE1-OE2 2.94Å; H349-E353 IonicContact CG-OE2 3.92Å; H349-E353 IonicContact ND1-OE2 2.71Å; H349-E353 PolarHBondContact ND1-OE2 3.37Å; H349-I354 HydrophobicContact CB-CD1 4.43Å; H349-I354 HydrophobicContact CB-CG1 4.16Å
350S51.7Low48.2Very low0 Ų055.7 Ų55.70%031%0.307CS..  trans-65.9152.7175.561.40000110.7D352 E353 I354S350-D352 PolarHBondContact O-N 3.21Å; S350-E353 PolarHBondContact N-OE1 3.04Å; S350-E353 WeakPolarHBondContact O-CB 3.37Å; S350-E353 PolarHBondContact O-N 3.18Å; S350-E353 PolarHBondContact OG-OE1 2.83Å; S350-I354 PolarHBondContact O-N 3.26Å
351Y53.7Low48.5Very low4 Ų449.4 Ų49.42%0.01628%0.284CS..Hα-helixtrans-48.9-35.3174.8-130.3-112.8000113K328 P330 I354 C355 Y362 L365 D366 L369K328-Y351 HydrophobicContact CB-CD2 3.75Å; K328-Y351 HydrophobicContact CB-CE2 4.21Å; K328-Y351 HydrophobicContact CB-CG 4.21Å; K328-Y351 HydrophobicContact CD-CE2 4.42Å; K328-Y351 PolarHBondContact O-N 3.09Å; P330-Y351 HydrophobicContact CG-CD2 4.18Å; P330-Y351 HydrophobicContact CG-CE2 4.2Å; Y351-I354 PolarHBondContact O-N 3.06Å; Y351-C355 WeakPolarHBondContact O-CB 3.23Å; Y351-C355 PolarHBondContact O-N 2.95Å; Y351-C355 PolarHBondContact O-SG 2.61Å; Y351-Y362 AromaticContact CD1-CD2 3.6Å; Y351-Y362 HydrophobicContact CD1-CD2 3.6Å; Y351-Y362 AromaticContact CD1-CE2 3.4Å; Y351-Y362 HydrophobicContact CD1-CE2 3.4Å; Y351-Y362 VanDerWaalsContact CD1-CE2 3.4Å; Y351-Y362 HydrophobicContact CE1-CD2 4Å; Y351-Y362 AromaticContact CE1-CE2 3.84Å; Y351-Y362 HydrophobicContact CE1-CE2 3.84Å; Y351-Y362 HydrophobicContact CG-CE2 4.32Å; Y351-L365 HydrophobicContact CD1-CD2 3.67Å; Y351-L365 HydrophobicContact CD2-CD2 4.22Å; Y351-L365 HydrophobicContact CE1-CB 4.02Å; Y351-L365 HydrophobicContact CE1-CD2 3.57Å; Y351-L365 HydrophobicContact CE1-CG 3.97Å; Y351-L365 HydrophobicContact CE2-CD2 4.1Å; Y351-L365 HydrophobicContact CG-CD2 4.02Å; Y351-L365 PolarHBondContact OH-O 3.15Å; Y351-D366 WeakPolarHBondContact CE1-OD1 3.12Å; Y351-D366 WeakPolarHBondContact OH-CA 3.48Å; Y351-D366 PolarHBondContact OH-N 3.31Å; Y351-D366 PolarHBondContact OH-OD1 3.14Å; Y351-L369 HydrophobicContact CD2-CD1 4.41Å; Y351-L369 HydrophobicContact CE2-CD1 3.26Å; Y351-L369 VanDerWaalsContact CZ-CD1 3.49Å; Y351-L369 WeakPolarHBondContact OH-CD1 3.42Å
352D51.2Low49Very low4 Ų449.2 Ų49.22%0.02128%0.278CS..Hα-helixtrans-67.5-39.2178.3-70-11.9000112.4Y172 R325 S350 I354 C355 C356Y172-D352 HydrophobicContact CD2-CB 4.21Å; Y172-D352 HydrophobicContact CG-CB 4.12Å; R325-D352 IonicContact CZ-OD1 3.97Å; R325-D352 IonicContact CZ-OD2 3.95Å; R325-D352 IonicContact NH1-OD2 3.15Å; R325-D352 PolarHBondContact NH1-OD2 3.06Å; R325-D352 VanDerWaalsContact NH2-CG 3.29Å; R325-D352 IonicContact NH2-OD1 3.35Å; R325-D352 PolarHBondContact NH2-OD1 3.48Å; R325-D352 IonicContact NH2-OD2 3.62Å; R325-D352 PolarHBondContact NH2-OD2 3.48Å; S350-D352 PolarHBondContact O-N 3.21Å; D352-I354 VanDerWaalsContact C-N 3.3Å; D352-I354 PolarHBondContact O-N 3.27Å; D352-C355 PolarHBondContact O-N 3.43Å; D352-C356 VanDerWaalsContact O-CB 3.28Å; D352-C356 WeakPolarHBondContact O-CB 3.47Å; D352-C356 PolarHBondContact O-N 3.43Å; D352-C356 PolarHBondContact O-SG 3.4Å
353E54.7Low49.7Very low29 Ų2953.5 Ų53.514%0.13629%0.292CS..Hα-helixtrans-64-37.7174.4-78.1168.1-111.200112.1Y172 H349 S350 K357Y172-E353 HydrophobicContact CD1-CG 4.06Å; Y172-E353 HydrophobicContact CE1-CB 4.37Å; Y172-E353 HydrophobicContact CE1-CG 3.2Å; Y172-E353 PolarHBondContact OH-OE1 2.77Å; H349-E353 HydrophobicContact CB-CB 4.36Å; H349-E353 IonicContact CE1-OE2 2.94Å; H349-E353 IonicContact CG-OE2 3.92Å; H349-E353 IonicContact ND1-OE2 2.71Å; H349-E353 PolarHBondContact ND1-OE2 3.37Å; S350-E353 PolarHBondContact N-OE1 3.04Å; S350-E353 WeakPolarHBondContact O-CB 3.37Å; S350-E353 PolarHBondContact O-N 3.18Å; S350-E353 PolarHBondContact OG-OE1 2.83Å; E353-K357 VanDerWaalsContact O-CB 3.31Å; E353-K357 WeakPolarHBondContact O-CB 3.02Å; E353-K357 WeakPolarHBondContact O-CG 3.22Å; E353-K357 PolarHBondContact O-N 3.34Å
354I55.2Low50.3Low1 Ų148 Ų481%0.00528%0.276CS..Hα-helixtrans-70.8-47.6180-58172.3000108.9P330 L344 Y345 H349 S350 Y351 D352 C356 K357 T358 L365P330-I354 HydrophobicContact CG-CD1 3.58Å; L344-I354 HydrophobicContact CB-CG1 4.31Å; Y345-I354 HydrophobicContact CD1-CD1 4.12Å; Y345-I354 HydrophobicContact CE1-CD1 4.18Å; Y345-I354 HydrophobicContact CE1-CG2 4.31Å; H349-I354 HydrophobicContact CB-CD1 4.43Å; H349-I354 HydrophobicContact CB-CG1 4.16Å; S350-I354 PolarHBondContact O-N 3.26Å; Y351-I354 PolarHBondContact O-N 3.06Å; D352-I354 VanDerWaalsContact C-N 3.3Å; D352-I354 PolarHBondContact O-N 3.27Å; I354-C356 PolarHBondContact O-N 3.44Å; I354-K357 PolarHBondContact O-N 3.37Å; I354-T358 HydrophobicContact CG2-CG2 4.22Å; I354-T358 VanDerWaalsContact O-CB 3.29Å; I354-T358 WeakPolarHBondContact O-CB 3.48Å; I354-T358 WeakPolarHBondContact O-CG2 3.5Å; I354-T358 PolarHBondContact O-N 3.32Å; I354-T358 PolarHBondContact O-OG1 3.49Å; I354-L365 HydrophobicContact CB-CD2 4.07Å; I354-L365 HydrophobicContact CG2-CD1 3.87Å; I354-L365 HydrophobicContact CG2-CD2 3.79Å
355C52.8Low50.9Low18 Ų1846.8 Ų46.812%0.12227%0.27CS..Hα-helixtrans-59.6-42.8174.6-70.90000112.1Y351 D352 G359 L365Y351-C355 WeakPolarHBondContact O-CB 3.23Å; Y351-C355 PolarHBondContact O-N 2.95Å; Y351-C355 PolarHBondContact O-SG 2.61Å; D352-C355 PolarHBondContact O-N 3.43Å; C355-G359 WeakPolarHBondContact O-CA 3.26Å; C355-G359 PolarHBondContact O-N 3.33Å; C355-L365 VanDerWaalsContact SG-CD2 3.51Å
356C51.5Low51.3Low44 Ų4447.2 Ų47.230%0.29727%0.273SS..Hα-helixtrans-68.8-37.1179.6-68.40000112.9D352 I354D352-C356 VanDerWaalsContact O-CB 3.28Å; D352-C356 WeakPolarHBondContact O-CB 3.47Å; D352-C356 PolarHBondContact O-N 3.43Å; D352-C356 PolarHBondContact O-SG 3.4Å; I354-C356 PolarHBondContact O-N 3.44Å
357K53.6Low51.8Low131 Ų13148.3 Ų48.357%0.5727%0.273SS*.Hα-helixtrans-79.5-28.4177.9-76.6178.8177.5169.60113.8L344 E353 I354L344-K357 HydrophobicContact CD1-CB 4.32Å; L344-K357 HydrophobicContact CD1-CD 4.36Å; L344-K357 HydrophobicContact CD2-CD 3.74Å; E353-K357 VanDerWaalsContact O-CB 3.31Å; E353-K357 WeakPolarHBondContact O-CB 3.02Å; E353-K357 WeakPolarHBondContact O-CG 3.22Å; E353-K357 PolarHBondContact O-N 3.34Å; I354-K357 PolarHBondContact O-N 3.37Å
358T50.8Low52.3Low46 Ų4654.4 Ų54.428%0.28229%0.29SS..Hα-helixtrans-94.9-13-178.858.80000113.1L344 I354 M360L344-T358 HydrophobicContact CD1-CG2 4.5Å; I354-T358 HydrophobicContact CG2-CG2 4.22Å; I354-T358 VanDerWaalsContact O-CB 3.29Å; I354-T358 WeakPolarHBondContact O-CB 3.48Å; I354-T358 WeakPolarHBondContact O-CG2 3.5Å; I354-T358 PolarHBondContact O-N 3.32Å; I354-T358 PolarHBondContact O-OG1 3.49Å; T358-M360 HydrophobicContact CG2-CE 3.83Å; T358-M360 PolarHBondContact O-N 2.99Å; T358-M360 VanDerWaalsContact O-N 3.16Å; T358-M360 WeakPolarHBondContact OG1-CE 3.38Å
359G46.9Very low53.1Low71 Ų7150.2 Ų50.273%0.73226%0.261SS*.  trans65.29.3-174.900000113.6C355C355-G359 WeakPolarHBondContact O-CA 3.26Å; C355-G359 PolarHBondContact O-N 3.33Å
360M50.4Low53.6Low50 Ų5055.4 Ų55.425%0.24629%0.285CS..  trans-85.3148.1-178.5-65.4-169.4-72.100111.1T358 L365T358-M360 HydrophobicContact CG2-CE 3.83Å; T358-M360 PolarHBondContact O-N 2.99Å; T358-M360 VanDerWaalsContact O-N 3.16Å; T358-M360 WeakPolarHBondContact OG1-CE 3.38Å; M360-L365 HydrophobicContact CE-CD1 3.67Å
361S49.8Very low53.6Low56 Ų5661.4 Ų61.439%0.39232%0.317SS..  trans-72.8153.4174.668.60000111.3H363 E364 L365S361-H363 PolarHBondContact O-N 2.92Å; S361-H363 VanDerWaalsContact O-N 3.1Å; S361-E364 WeakPolarHBondContact CB-OE2 3.45Å; S361-E364 PolarHBondContact N-OE2 3.13Å; S361-E364 PolarHBondContact O-N 2.84Å; S361-E364 VanDerWaalsContact O-N 3.14Å; S361-E364 VanDerWaalsContact OG-CG 3.28Å; S361-E364 WeakPolarHBondContact OG-CG 3.04Å; S361-E364 PolarHBondContact OG-N 2.92Å; S361-E364 PolarHBondContact OG-OE2 2.97Å; S361-L365 PolarHBondContact O-N 2.91Å
362Y54.2Low53.5Low39 Ų3964.5 Ų64.515%0.15333%0.334CS..Hα-helixtrans-54.6-31.1178.2-172.9-88.8000112.6S242 K328 Y351 D366S242-Y362 VanDerWaalsContact OG-CE1 3.22Å; S242-Y362 WeakPolarHBondContact OG-CE1 3.42Å; K328-Y362 VanDerWaalsContact CE-OH 3.32Å; K328-Y362 WeakPolarHBondContact CE-OH 3.48Å; K328-Y362 PolarHBondContact NZ-OH 3.47Å; Y351-Y362 AromaticContact CD1-CD2 3.6Å; Y351-Y362 HydrophobicContact CD1-CD2 3.6Å; Y351-Y362 AromaticContact CD1-CE2 3.4Å; Y351-Y362 HydrophobicContact CD1-CE2 3.4Å; Y351-Y362 VanDerWaalsContact CD1-CE2 3.4Å; Y351-Y362 HydrophobicContact CE1-CD2 4Å; Y351-Y362 AromaticContact CE1-CE2 3.84Å; Y351-Y362 HydrophobicContact CE1-CE2 3.84Å; Y351-Y362 HydrophobicContact CG-CE2 4.32Å; Y362-D366 WeakPolarHBondContact CE1-OD2 3.43Å; Y362-D366 WeakPolarHBondContact O-CB 3.2Å; Y362-D366 PolarHBondContact O-N 3.4Å
363H53Low53.3Low123 Ų12370.3 Ų70.357%0.56937%0.372SS*.Hα-helixtrans-74.7-43.2178.8-168.5-77000112.8S361 L365 D366 E367S361-H363 PolarHBondContact O-N 2.92Å; S361-H363 VanDerWaalsContact O-N 3.1Å; H363-L365 VanDerWaalsContact C-N 3.27Å; H363-L365 PolarHBondContact O-N 3.35Å; H363-D366 PolarHBondContact O-N 3.49Å; H363-E367 IonicContact CE1-OE1 2.7Å; H363-E367 PolarHBondContact CE1-OE1 3.1Å; H363-E367 IonicContact ND1-OE1 3.56Å; H363-E367 IonicContact ND1-OE2 3.39Å; H363-E367 PolarHBondContact O-N 3.3Å
364E57.1Low52.8Low105 Ų10573.1 Ų73.149%0.49139%0.388SS..Hα-helixtrans-67.2-33176.2-69.8160.8150.900111.3S361 R368S361-E364 WeakPolarHBondContact CB-OE2 3.45Å; S361-E364 PolarHBondContact N-OE2 3.13Å; S361-E364 PolarHBondContact O-N 2.84Å; S361-E364 VanDerWaalsContact O-N 3.14Å; S361-E364 VanDerWaalsContact OG-CG 3.28Å; S361-E364 WeakPolarHBondContact OG-CG 3.04Å; S361-E364 PolarHBondContact OG-N 2.92Å; S361-E364 PolarHBondContact OG-OE2 2.97Å; E364-R368 WeakPolarHBondContact O-CB 3.35Å; E364-R368 PolarHBondContact O-N 2.95Å
365L58Low52.7Low0 Ų074 Ų740%039%0.392CS..Hα-helixtrans-71.6-42.7174.8-160.972.2000111.5Y351 I354 C355 M360 S361 H363 R368 L369Y351-L365 HydrophobicContact CD1-CD2 3.67Å; Y351-L365 HydrophobicContact CD2-CD2 4.22Å; Y351-L365 HydrophobicContact CE1-CB 4.02Å; Y351-L365 HydrophobicContact CE1-CD2 3.57Å; Y351-L365 HydrophobicContact CE1-CG 3.97Å; Y351-L365 HydrophobicContact CE2-CD2 4.1Å; Y351-L365 HydrophobicContact CG-CD2 4.02Å; Y351-L365 PolarHBondContact OH-O 3.15Å; I354-L365 HydrophobicContact CB-CD2 4.07Å; I354-L365 HydrophobicContact CG2-CD1 3.87Å; I354-L365 HydrophobicContact CG2-CD2 3.79Å; C355-L365 VanDerWaalsContact SG-CD2 3.51Å; M360-L365 HydrophobicContact CE-CD1 3.67Å; S361-L365 PolarHBondContact O-N 2.91Å; H363-L365 VanDerWaalsContact C-N 3.27Å; H363-L365 PolarHBondContact O-N 3.35Å; L365-R368 PolarHBondContact O-N 3.38Å; L365-L369 HydrophobicContact CG-CD1 4.18Å; L365-L369 VanDerWaalsContact O-CB 3.3Å; L365-L369 WeakPolarHBondContact O-CB 3.3Å; L365-L369 WeakPolarHBondContact O-CG 3.49Å; L365-L369 PolarHBondContact O-N 2.97Å
366D56.9Low52.6Low28 Ų2877.8 Ų77.815%0.1541%0.41CS..Hα-helixtrans-61.8-46.8173.6-91.1-11.4000111.4K328 Y351 Y362 H363 R368 L369 E370K328-D366 IonicContact NZ-OD1 2.79Å; K328-D366 PolarHBondContact NZ-OD1 3.4Å; K328-D366 IonicContact NZ-OD2 2.95Å; K328-D366 PolarHBondContact NZ-OD2 3.44Å; K328-D366 VanDerWaalsContact NZ-OD2 3.15Å; Y351-D366 WeakPolarHBondContact CE1-OD1 3.12Å; Y351-D366 WeakPolarHBondContact OH-CA 3.48Å; Y351-D366 PolarHBondContact OH-N 3.31Å; Y351-D366 PolarHBondContact OH-OD1 3.14Å; Y362-D366 WeakPolarHBondContact CE1-OD2 3.43Å; Y362-D366 WeakPolarHBondContact O-CB 3.2Å; Y362-D366 PolarHBondContact O-N 3.4Å; H363-D366 PolarHBondContact O-N 3.49Å; D366-R368 VanDerWaalsContact C-N 3.33Å; D366-R368 PolarHBondContact O-N 2.89Å; D366-L369 PolarHBondContact O-N 2.84Å; D366-E370 WeakPolarHBondContact O-CB 3.31Å; D366-E370 WeakPolarHBondContact O-CG 3.45Å; D366-E370 PolarHBondContact O-N 2.81Å
367E56.3Low52.6Low104 Ų10478 Ų7849%0.48641%0.408SS..Hα-helixtrans-62.9-38.5177.1-78.5-167.6153.900112.3H363 N371H363-E367 IonicContact CE1-OE1 2.7Å; H363-E367 PolarHBondContact CE1-OE1 3.1Å; H363-E367 IonicContact ND1-OE1 3.56Å; H363-E367 IonicContact ND1-OE2 3.39Å; H363-E367 PolarHBondContact O-N 3.3Å; E367-N371 VanDerWaalsContact O-CB 3.32Å; E367-N371 WeakPolarHBondContact O-CB 3.38Å; E367-N371 PolarHBondContact O-N 3.3Å; E367-N371 VanDerWaalsContact O-N 3.1Å; E367-N371 PolarHBondContact O-ND2 3.28Å
368R56.5Low52.3Low149 Ų14974.4 Ų74.456%0.56240%0.399SS*.Hα-helixtrans-72.2-32.5179.6-162.2170-169.7113.62.9112.2E364 L365 D366 D372E364-R368 WeakPolarHBondContact O-CB 3.35Å; E364-R368 PolarHBondContact O-N 2.95Å; L365-R368 PolarHBondContact O-N 3.38Å; D366-R368 VanDerWaalsContact C-N 3.33Å; D366-R368 PolarHBondContact O-N 2.89Å; R368-D372 PolarHBondContact O-N 3.32Å
369L57.1Low52.2Low7 Ų778.4 Ų78.44%0.03741%0.409CS..Hα-helixtrans-79.9-31.2177.2-71.2-176.1000113.2P330 Y345 Y351 L365 D366 N371 I375P330-L369 HydrophobicContact CB-CD1 3.82Å; P330-L369 HydrophobicContact CB-CD2 4.48Å; P330-L369 HydrophobicContact CG-CD1 4.05Å; Y345-L369 HydrophobicContact CE1-CD2 4.11Å; Y351-L369 HydrophobicContact CD2-CD1 4.41Å; Y351-L369 HydrophobicContact CE2-CD1 3.26Å; Y351-L369 VanDerWaalsContact CZ-CD1 3.49Å; Y351-L369 WeakPolarHBondContact OH-CD1 3.42Å; L365-L369 HydrophobicContact CG-CD1 4.18Å; L365-L369 VanDerWaalsContact O-CB 3.3Å; L365-L369 WeakPolarHBondContact O-CB 3.3Å; L365-L369 WeakPolarHBondContact O-CG 3.49Å; L365-L369 PolarHBondContact O-N 2.97Å; D366-L369 PolarHBondContact O-N 2.84Å; L369-N371 VanDerWaalsContact C-N 3.32Å; L369-I375 HydrophobicContact CD2-CB 4.16Å; L369-I375 HydrophobicContact CD2-CD1 3.21Å; L369-I375 HydrophobicContact CD2-CG1 4.23Å; L369-I375 HydrophobicContact CD2-CG2 3.78Å
370E53.8Low52.1Low154 Ų15482.1 Ų82.172%0.7241%0.405SS*.Hα-helixtrans-70.3-29.5170-76-176.6173.500112.4D366D366-E370 WeakPolarHBondContact O-CB 3.31Å; D366-E370 WeakPolarHBondContact O-CG 3.45Å; D366-E370 PolarHBondContact O-N 2.81Å
371N51.5Low52.2Low126 Ų12683.7 Ų83.767%0.67441%0.413SS*.Hα-helixtrans-77.7-18.1176.7-78.5-45.9000114.1E367 L369 P373E367-N371 VanDerWaalsContact O-CB 3.32Å; E367-N371 WeakPolarHBondContact O-CB 3.38Å; E367-N371 PolarHBondContact O-N 3.3Å; E367-N371 VanDerWaalsContact O-N 3.1Å; E367-N371 PolarHBondContact O-ND2 3.28Å; L369-N371 VanDerWaalsContact C-N 3.32Å; N371-P373 WeakPolarHBondContact O-CD 3.47Å
372D51.5Low52.3Low70 Ų7085.2 Ų85.237%0.37441%0.414SS..  trans-99.4104.2-179.6-87.8-30.6000111.4R368 N374 I375R368-D372 PolarHBondContact O-N 3.32Å; D372-N374 PolarHBondContact O-N 3.21Å; D372-I375 HydrophobicContact CB-CD1 3.68Å; D372-I375 HydrophobicContact CB-CG1 4.07Å; D372-I375 PolarHBondContact O-N 3.15Å
373P47.6Very low52.2Low125 Ų12587.7 Ų87.781%0.81243%0.428SS*.THydrogen-bonded Turntrans-68.7-1.5-176.428-35.6000114.7N371N371-P373 WeakPolarHBondContact O-CD 3.47Å
374N44.7Very low52.1Low89 Ų8985.6 Ų85.648%0.47642%0.42SS..THydrogen-bonded Turntrans-101.56.7-178.2-78.4-21.1000113.8R332 V333 D372R332-N374 WeakPolarHBondContact CA-O 3.45Å; V333-N374 PolarHBondContact N-O 2.88Å; D372-N374 PolarHBondContact O-N 3.21Å
375I52.8Low51.8Low19 Ų1984.4 Ų84.410%0.09742%0.416CS..EExtended strand (participates in β ladder)trans-116.8115.5-176.9-53.8174.8000109.8P330 R332 L369 D372P330-I375 HydrophobicContact CB-CG2 3.63Å; R332-I375 HydrophobicContact CB-CG1 4.32Å; R332-I375 HydrophobicContact CG-CG1 4.3Å; L369-I375 HydrophobicContact CD2-CB 4.16Å; L369-I375 HydrophobicContact CD2-CD1 3.21Å; L369-I375 HydrophobicContact CD2-CG1 4.23Å; L369-I375 HydrophobicContact CD2-CG2 3.78Å; D372-I375 HydrophobicContact CB-CD1 3.68Å; D372-I375 HydrophobicContact CB-CG1 4.07Å; D372-I375 PolarHBondContact O-N 3.15Å
376I50Low51.4Low97 Ų9790.1 Ų90.150%0.49744%0.443SS..EExtended strand (participates in β ladder)trans-94123.6175.2-61-179.3000108V331 V333 C378V331-I376 PolarHBondContact N-O 3.05Å; V331-I376 PolarHBondContact O-N 3.21Å; V333-I376 HydrophobicContact CG2-CB 4.48Å; V333-I376 HydrophobicContact CG2-CD1 3.5Å; V333-I376 VanDerWaalsContact CG2-CD1 3.5Å; V333-I376 HydrophobicContact CG2-CG1 3.76Å; I376-C378 PolarHBondContact O-N 3.22Å
377I52.6Low51Low50 Ų5094.5 Ų94.526%0.25646%0.464SS..EExtended strand (participates in β ladder)trans-83.4106.5174.4-59.9171.9000108.4K328K328-I377 HydrophobicContact CB-CG2 3.75Å; K328-I377 HydrophobicContact CD-CG2 4.02Å; K328-I377 HydrophobicContact CG-CG2 3.77Å
378C46.3Very low50.6Low55 Ų5593.8 Ų93.837%0.37246%0.463SS..EExtended strand (participates in β ladder)trans-88.5123.2171.5-68.30000109.8Y329 V331 I376Y329-C378 WeakPolarHBondContact CA-O 3.12Å; Y329-C378 WeakPolarHBondContact CB-O 3.18Å; Y329-C378 PolarHBondContact N-O 3.2Å; Y329-C378 PolarHBondContact O-N 3Å; V331-C378 HydrophobicContact CG2-CB 4.18Å; I376-C378 PolarHBondContact O-N 3.22Å
379W49.2Very low50.1Low130 Ų13089.2 Ų89.249%0.49245%0.454SS..EExtended strand (participates in β ladder)trans-85.1120173.4-68.190.1000109V244 L326 K328V244-W379 HydrophobicContact CB-CZ3 4.1Å; V244-W379 HydrophobicContact CG2-CH2 4.04Å; V244-W379 HydrophobicContact CG2-CZ3 3.94Å; L326-W379 HydrophobicContact CB-CE3 4.19Å; L326-W379 HydrophobicContact CD2-CB 3.52Å; L326-W379 HydrophobicContact CD2-CE3 4.22Å; L326-W379 HydrophobicContact CD2-CG 4.45Å; K328-W379 HydrophobicContact CD-CH2 4.12Å; K328-W379 HydrophobicContact CD-CZ2 4.26Å; K328-W379 HydrophobicContact CD-CZ3 4.5Å; K328-W379 HydrophobicContact CG-CD2 4.16Å; K328-W379 HydrophobicContact CG-CE3 3.9Å; K328-W379 HydrophobicContact CG-CH2 3.78Å; K328-W379 HydrophobicContact CG-CZ2 4.01Å; K328-W379 HydrophobicContact CG-CZ3 3.71Å
380K44.2Very low49.5Very low148 Ų14896.6 Ų96.664%0.64349%0.492SS*.  trans-132.90-177.7-160.4176.5-178.7179.20113.9R324 Q327 Y329R324-K380 VanDerWaalsContact CZ-OXT 3.29Å; R324-K380 PolarHBondContact NH2-OXT 2.82Å; Q327-K380 PolarHBondContact N-O 3.06Å; Q327-K380 PolarHBondContact O-N 3.02Å; Y329-K380 HydrophobicContact CD2-CB 3.54Å; Y329-K380 HydrophobicContact CE2-CB 3.69Å

Retrieved 380 of 380 residues in 68.4 ms (Link to these results)

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