A0A087XAR2_POEFO Loading...

Muscleblind-like splicing regulator 2

AlphaFold DB , UniProt , Accession A0A087XAR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 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
1M38.5Very low52.9Low235 Ų235129.9 Ų129.9100%1.15871%0.712SS**  0120.90-60167.3-160.200107.4L3M1-L3 PolarHBondContact O-N 2.96Å
2A40.8Very low55.8Low107 Ų107132.6 Ų132.688%0.88471%0.712SS**  trans-83.996-178.700000110N4A2-N4 VanDerWaalsContact C-N 3.26Å; A2-N4 PolarHBondContact O-N 3.34Å
3L45.7Very low58.3Low157 Ų157126.1 Ų126.182%0.82267%0.671SS**  trans-75.582.1175.9-71-178.5000110.7M1 I5M1-L3 PolarHBondContact O-N 2.96Å; L3-I5 PolarHBondContact O-N 2.97Å
4N44.3Very low60.7Low140 Ų140118 Ų11875%0.74963%0.628SS**  trans21.769.9146-166.22.9000115.1A2 A6A2-N4 VanDerWaalsContact C-N 3.26Å; A2-N4 PolarHBondContact O-N 3.34Å; N4-A6 PolarHBondContact O-N 2.84Å; N4-A6 PolarHBondContact OD1-N 3.35Å
5I44.3Very low62.8Low170 Ų170112.9 Ų112.987%0.87260%0.603SS**  trans-72.575.6160.2-55.6173.8000105.8L3 S7L3-I5 PolarHBondContact O-N 2.97Å; I5-S7 PolarHBondContact O-N 3.13Å
6A42.2Very low64.6Low46 Ų46106.3 Ų106.338%0.3857%0.567SS.*  trans-55.2129.9162.400000106.7N4 I8N4-A6 PolarHBondContact O-N 2.84Å; N4-A6 PolarHBondContact OD1-N 3.35Å; A6-I8 HydrophobicContact CB-CD1 4.32Å; A6-I8 HydrophobicContact CB-CG1 3.58Å; A6-I8 PolarHBondContact O-N 3.09Å
7S47.9Very low66.3Low117 Ų117104.9 Ų104.982%0.81856%0.557SS**  trans-70.871.8162.7-170.10000107.3I5 R9I5-S7 PolarHBondContact O-N 3.13Å; S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.92Å
8I56.3Low67.8Low127 Ų12799.6 Ų99.665%0.65153%0.529SS*.  trans-66.698177.8-55.8178.6000105.3A6 D10A6-I8 HydrophobicContact CB-CD1 4.32Å; A6-I8 HydrophobicContact CB-CG1 3.58Å; A6-I8 PolarHBondContact O-N 3.09Å; I8-D10 PolarHBondContact O-N 2.98Å; I8-D10 VanDerWaalsContact O-N 3.07Å
9R68.8Low69.2Low202 Ų20294.5 Ų94.576%0.76250%0.502SS*.  trans-54.9117.6168.4-47.9177.6-158.51735.5105.7S7 T11S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.92Å; R9-T11 VanDerWaalsContact C-N 3.3Å; R9-T11 PolarHBondContact O-N 3.43Å
10D70.3Confident70.3Confident56 Ų56100 Ų10030%0.29952%0.516SS..  trans-58.387.7-176.5-88.1-76.8000111.4I8 K12 W13 Q90I8-D10 PolarHBondContact O-N 2.98Å; I8-D10 VanDerWaalsContact O-N 3.07Å; D10-K12 PolarHBondContact O-N 3.19Å; D10-K12 VanDerWaalsContact O-N 3.12Å; D10-W13 PolarHBondContact O-NE1 3.23Å; D10-Q90 PolarHBondContact OD2-NE2 3.43Å
11T83Confident71.4Confident72 Ų7299.9 Ų99.944%0.44251%0.513SS..G310 helixtrans-65.5-17.3179.251.70000111.8R9 W13 L14 T15R9-T11 VanDerWaalsContact C-N 3.3Å; R9-T11 PolarHBondContact O-N 3.43Å; T11-W13 PolarHBondContact O-N 3.35Å; T11-L14 CarbonylContact O-C 3.54Å; T11-L14 WeakPolarHBondContact O-CA 3.49Å; T11-L14 WeakPolarHBondContact O-CB 3.5Å; T11-L14 PolarHBondContact O-N 3.32Å; T11-T15 PolarHBondContact O-N 3.16Å
12K87.6Confident74Confident162 Ų16292.9 Ų92.970%0.70448%0.476SS*.G310 helixtrans-54.8-44.6178.6-166.7173.3-176.6176.70113D10 L14 T15D10-K12 PolarHBondContact O-N 3.19Å; D10-K12 VanDerWaalsContact O-N 3.12Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L14 PolarHBondContact O-N 3.38Å; K12-T15 PolarHBondContact O-N 3.38Å; K12-T15 PolarHBondContact O-OG1 2.86Å
13W88.7Confident76.4Confident48 Ų4893.4 Ų93.418%0.18246%0.46CS..G310 helixtrans-76.3-16.9177.773.7-97.8000113.4D10 T11 T15 F54 L57 L79 N82 N86D10-W13 PolarHBondContact O-NE1 3.23Å; T11-W13 PolarHBondContact O-N 3.35Å; W13-T15 VanDerWaalsContact C-N 3.29Å; W13-F54 AromaticContact CH2-CD2 3.85Å; W13-F54 HydrophobicContact CH2-CD2 3.85Å; W13-F54 AromaticContact CH2-CE2 3.92Å; W13-F54 HydrophobicContact CH2-CE2 3.92Å; W13-F54 AromaticContact CZ2-CD2 3.89Å; W13-F54 HydrophobicContact CZ2-CD2 3.89Å; W13-F54 AromaticContact CZ2-CE2 3.84Å; W13-F54 HydrophobicContact CZ2-CE2 3.84Å; W13-L57 HydrophobicContact CH2-CD1 4.38Å; W13-L57 HydrophobicContact CZ3-CD1 4.05Å; W13-L79 WeakPolarHBondContact CZ3-O 3.1Å; W13-L79 WeakPolarHBondContact O-CD2 3.41Å; W13-N82 HydrophobicContact CB-CB 4.46Å; W13-N86 HydrophobicContact CB-CB 3.97Å; W13-N86 HydrophobicContact CG-CB 4.26Å
14L91.6Very high78.5Confident13 Ų1394.5 Ų94.57%0.06845%0.454CS..G310 helixtrans-82.9-0.9172.4-68.7167.7000113.1T11 K12 I51 A52 F54 L57T11-L14 CarbonylContact O-C 3.54Å; T11-L14 WeakPolarHBondContact O-CA 3.49Å; T11-L14 WeakPolarHBondContact O-CB 3.5Å; T11-L14 PolarHBondContact O-N 3.32Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L14 PolarHBondContact O-N 3.38Å; L14-I51 HydrophobicContact CB-CG2 4.26Å; L14-A52 PolarHBondContact O-N 3.37Å; L14-F54 HydrophobicContact CD1-CB 4.1Å; L14-F54 HydrophobicContact CD1-CD2 4.3Å; L14-F54 HydrophobicContact CD2-CB 4.36Å; L14-F54 HydrophobicContact CD2-CD2 4.29Å; L14-L57 HydrophobicContact CD2-CD1 3.47Å; L14-L57 VanDerWaalsContact CD2-CD1 3.47Å
15T91.3Very high80.7Confident41 Ų4191.2 Ų91.225%0.25245%0.453SS..EExtended strand (participates in β ladder)trans-81.5135177.864.70000112.8T11 K12 W13 V50 I51T11-T15 PolarHBondContact O-N 3.16Å; K12-T15 PolarHBondContact O-N 3.38Å; K12-T15 PolarHBondContact O-OG1 2.86Å; W13-T15 VanDerWaalsContact C-N 3.29Å; T15-V50 CarbonylContact C-O 3.58Å; T15-V50 VanDerWaalsContact CA-O 3.3Å; T15-V50 WeakPolarHBondContact CA-O 3.42Å; T15-I51 HydrophobicContact CG2-CG1 4.35Å
16L92.6Very high83.1Confident7 Ų786.7 Ų86.74%0.03743%0.433CS..EExtended strand (participates in β ladder)trans-116150.6168.9-71.4179.7000110.7A37 R49 V50 L69 P71 L75 L79L16-A37 HydrophobicContact CB-CB 4.04Å; L16-A37 HydrophobicContact CD1-CB 4.3Å; L16-R49 CarbonylContact O-C 3.57Å; L16-R49 WeakPolarHBondContact O-CA 3.45Å; L16-R49 WeakPolarHBondContact O-CB 3.29Å; L16-V50 PolarHBondContact N-O 2.76Å; L16-V50 PolarHBondContact O-N 3.33Å; L16-L69 HydrophobicContact CD1-CD2 4.36Å; L16-P71 HydrophobicContact CD1-CB 4.02Å; L16-L75 HydrophobicContact CD1-CB 4.04Å; L16-L75 HydrophobicContact CD1-CD1 4.31Å; L16-L75 HydrophobicContact CD1-CD2 4.15Å; L16-L75 HydrophobicContact CD1-CG 4.4Å; L16-L75 HydrophobicContact CD2-CD2 3.93Å; L16-L79 HydrophobicContact CD1-CD1 3.78Å; L16-L79 HydrophobicContact CD1-CG 4.43Å; L16-L79 HydrophobicContact CD2-CD1 4.05Å; L16-L79 HydrophobicContact CD2-CD2 3.73Å; L16-L79 HydrophobicContact CD2-CG 3.77Å; L16-L79 HydrophobicContact CG-CD1 3.86Å; L16-L79 HydrophobicContact CG-CD2 3.99Å; L16-L79 HydrophobicContact CG-CG 4.1Å
17E93.1Very high85.5Confident84 Ų8485.9 Ų85.939%0.39342%0.424SS..EExtended strand (participates in β ladder)trans-82.3135.1172-70.5179.5176.900111.1F36 A37 R49E17-F36 HydrophobicContact CB-CD1 3.92Å; E17-F36 HydrophobicContact CB-CE1 4.34Å; E17-A37 PolarHBondContact O-N 3.26Å; E17-R49 HydrophobicContact CG-CG 4.35Å; E17-R49 IonicContact OE1-CZ 3.18Å; E17-R49 IonicContact OE1-NH1 2.79Å; E17-R49 PolarHBondContact OE1-NH1 2.74Å; E17-R49 IonicContact OE1-NH2 2.74Å; E17-R49 PolarHBondContact OE1-NH2 3.03Å
18V93.7Very high87.5Confident8 Ų886.3 Ų86.35%0.04843%0.427CS..BIsolated β-bridgetrans-72.5142.6174.8177.50000110.4R20 Q23 A37 P39 V45 G48 V50V18-R20 PolarHBondContact O-N 2.94Å; V18-Q23 HydrophobicContact CG1-CB 4.2Å; V18-A37 WeakPolarHBondContact CA-O 3.49Å; V18-P39 HydrophobicContact CG1-CG 4.17Å; V18-P39 HydrophobicContact CG2-CG 3.97Å; V18-V45 HydrophobicContact CG2-CG1 3.76Å; V18-V45 HydrophobicContact CG2-CG2 4.33Å; V18-G48 PolarHBondContact N-O 3.07Å; V18-V50 HydrophobicContact CG2-CG1 3.24Å
19C93.9Very high89.2Confident3 Ų386.8 Ų86.82%0.0242%0.421CS..  trans-63.9110.1171-177.60000110.6Q21 F22 Q23 C27 F36 A37 H38C19-Q21 PolarHBondContact O-N 2.99Å; C19-Q21 VanDerWaalsContact O-N 3.13Å; C19-F22 HydrophobicContact CB-CB 3.73Å; C19-F22 WeakPolarHBondContact O-CB 3.27Å; C19-F22 PolarHBondContact O-N 2.84Å; C19-Q23 PolarHBondContact O-N 3.08Å; C19-C27 VanDerWaalsContact SG-SG 3.69Å; C19-F36 VanDerWaalsContact CA-CB 3.47Å; C19-F36 HydrophobicContact CB-CB 3.69Å; C19-A37 PolarHBondContact N-O 3.39Å; C19-H38 VanDerWaalsContact CB-CD2 3.4Å; C19-H38 WeakPolarHBondContact CB-CD2 3.01Å; C19-H38 WeakPolarHBondContact CB-NE2 3.31Å
20R91.7Very high90.2Very high205 Ų20579.7 Ų79.777%0.77440%0.402SS*.THydrogen-bonded Turntrans-58.9-24.1176.9-71.6-174.8175.2-175.3-2.1113.7V18 R24V18-R20 PolarHBondContact O-N 2.94Å; R20-R24 WeakPolarHBondContact O-CD 3.48Å; R20-R24 VanDerWaalsContact O-CG 3.29Å; R20-R24 WeakPolarHBondContact O-CG 3.4Å
21Q93.9Very high91Very high98 Ų9880.1 Ų80.146%0.45841%0.405SS..THydrogen-bonded Turntrans-74.5-43.3172.5-68.4178.2-18.700111.2C19 R24 G25 T26 C27C19-Q21 PolarHBondContact O-N 2.99Å; C19-Q21 VanDerWaalsContact O-N 3.13Å; Q21-R24 CarbonylContact O-C 3.46Å; Q21-R24 WeakPolarHBondContact O-CA 3.48Å; Q21-R24 PolarHBondContact O-N 3.13Å; Q21-R24 VanDerWaalsContact O-N 3.07Å; Q21-G25 PolarHBondContact O-N 3.29Å; Q21-G25 VanDerWaalsContact O-N 3.13Å; Q21-T26 PolarHBondContact O-N 3.47Å; Q21-C27 HydrophobicContact CB-CB 3.64Å
22F92.6Very high91.3Very high87 Ų8782.5 Ų82.538%0.38241%0.41SS..G310 helixtrans-64.4-42.3177.7179.9-99.6000111.5C19 R24 G25 C27 H38 P39C19-F22 HydrophobicContact CB-CB 3.73Å; C19-F22 WeakPolarHBondContact O-CB 3.27Å; C19-F22 PolarHBondContact O-N 2.84Å; F22-R24 PolarHBondContact O-N 3.45Å; F22-R24 VanDerWaalsContact O-N 3.09Å; F22-G25 PolarHBondContact O-N 3.09Å; F22-C27 HydrophobicContact CB-CB 4.11Å; F22-H38 VanDerWaalsContact CB-CD2 3.48Å; F22-H38 WeakPolarHBondContact CB-CD2 3.43Å; F22-H38 HydrophobicContact CD1-CB 4.2Å; F22-H38 HydrophobicContact CD2-CB 4.11Å; F22-H38 AromaticContact CD2-CD2 3.77Å; F22-H38 AromaticContact CD2-CG 3.67Å; F22-H38 AromaticContact CD2-ND1 3.85Å; F22-H38 HydrophobicContact CE1-CB 4.08Å; F22-H38 HydrophobicContact CE2-CB 3.98Å; F22-H38 AromaticContact CE2-CG 4Å; F22-H38 HydrophobicContact CG-CB 4.22Å; F22-H38 AromaticContact CG-CD2 3.52Å; F22-H38 AromaticContact CG-CG 3.81Å; F22-H38 AromaticContact CG-NE2 3.95Å; F22-H38 HydrophobicContact CZ-CB 3.97Å; F22-P39 WeakPolarHBondContact CE1-O 3.27Å
23Q90.1Very high91.4Very high119 Ų11981.1 Ų81.156%0.55641%0.407SS*.G310 helixtrans-61.8-16.3173.7-162.9173.827.400113.5V18 C19V18-Q23 HydrophobicContact CG1-CB 4.2Å; C19-Q23 PolarHBondContact O-N 3.08Å
24R91Very high91.5Very high180 Ų18079 Ų7968%0.67940%0.399SS*.G310 helixtrans-104.52.4173.2-67.6174.469.4-95.71.8113.7R20 Q21 F22 T26R20-R24 WeakPolarHBondContact O-CD 3.48Å; R20-R24 VanDerWaalsContact O-CG 3.29Å; R20-R24 WeakPolarHBondContact O-CG 3.4Å; Q21-R24 CarbonylContact O-C 3.46Å; Q21-R24 WeakPolarHBondContact O-CA 3.48Å; Q21-R24 PolarHBondContact O-N 3.13Å; Q21-R24 VanDerWaalsContact O-N 3.07Å; F22-R24 PolarHBondContact O-N 3.45Å; F22-R24 VanDerWaalsContact O-N 3.09Å; R24-T26 HydrophobicContact CB-CG2 4.4Å; R24-T26 PolarHBondContact NH1-OG1 3.38Å; R24-T26 WeakPolarHBondContact O-CG2 3.29Å; R24-T26 PolarHBondContact O-N 3.14Å
25G89.8Confident91.5Very high71 Ų7185.2 Ų85.273%0.73243%0.426SS*.THydrogen-bonded Turntrans69.812.7-173.700000115.3Q21 F22Q21-G25 PolarHBondContact O-N 3.29Å; Q21-G25 VanDerWaalsContact O-N 3.13Å; F22-G25 PolarHBondContact O-N 3.09Å
26T94.1Very high91.5Very high75 Ų7586.4 Ų86.446%0.4643%0.428SS..  trans-115.229.6-174.575.20000113.6Q21 R24Q21-T26 PolarHBondContact O-N 3.47Å; R24-T26 HydrophobicContact CB-CG2 4.4Å; R24-T26 PolarHBondContact NH1-OG1 3.38Å; R24-T26 WeakPolarHBondContact O-CG2 3.29Å; R24-T26 PolarHBondContact O-N 3.14Å
27C92.6Very high91.5Very high29 Ų2986.1 Ų86.120%0.19643%0.426CS..  trans-104.6126.4172.2-156.50000110.1C19 Q21 F22C19-C27 VanDerWaalsContact SG-SG 3.69Å; Q21-C27 HydrophobicContact CB-CB 3.64Å; F22-C27 HydrophobicContact CB-CB 4.11Å
28S90.9Very high91.4Very high126 Ų12683.4 Ų83.488%0.88141%0.413SS*.  trans-100.74.8178520000113.7
29R92.3Very high91.2Very high137 Ų13783.7 Ų83.752%0.51742%0.415SS..SBendtrans-90.2146.1176.1-64.2175-179.5-98.9-8.4110E33 C34 H38R29-E33 HydrophobicContact CB-CB 4.42Å; R29-C34 HydrophobicContact CB-CB 4.2Å; R29-H38 PolarHBondContact O-CE1 3.46Å
30S89.1Confident90.8Very high52 Ų5286.6 Ų86.636%0.36443%0.434SS..  trans-66.7171.8163.773.10000110.7E32 E33 C34S30-E32 WeakPolarHBondContact CB-OE2 3.4Å; S30-E32 PolarHBondContact OG-OE2 2.81Å; S30-E33 PolarHBondContact OG-N 3.45Å; S30-C34 VanDerWaalsContact O-CB 3.25Å; S30-C34 WeakPolarHBondContact O-CB 3.48Å; S30-C34 PolarHBondContact O-N 3.24Å; S30-C34 VanDerWaalsContact O-N 3.12Å
31D87.4Confident90.2Very high66 Ų6687.5 Ų87.535%0.35344%0.444SS..THydrogen-bonded Turntrans-72.5-29177.474.8-75.4000112.6E33 C34 H38 P72 H74D31-E33 VanDerWaalsContact C-N 3.33Å; D31-E33 PolarHBondContact O-N 2.57Å; D31-C34 PolarHBondContact O-N 2.91Å; D31-H38 HydrophobicContact CB-CB 4.05Å; D31-P72 WeakPolarHBondContact OD2-CD 3.3Å; D31-P72 VanDerWaalsContact OD2-CG 3.31Å; D31-P72 WeakPolarHBondContact OD2-CG 3.49Å; D31-H74 PolarHBondContact O-CE1 3.37Å; D31-H74 PolarHBondContact O-NE2 3.37Å
32E88.6Confident89.3Confident121 Ų12186.5 Ų86.557%0.56545%0.447SS*.THydrogen-bonded Turntrans-68.1-31.3176.4-42.696.814100112.6S30 P72 H74S30-E32 WeakPolarHBondContact CB-OE2 3.4Å; S30-E32 PolarHBondContact OG-OE2 2.81Å; E32-P72 HydrophobicContact CG-CB 4.36Å; E32-H74 WeakPolarHBondContact CA-CE1 3.45Å; E32-H74 PolarHBondContact O-CE1 2.89Å; E32-H74 PolarHBondContact O-ND1 2.83Å
33E90.3Very high88.8Confident134 Ų13483 Ų8363%0.62643%0.434SS*.THydrogen-bonded Turntrans-91.7-14.4176.6-67.5-166.8174.700114.2R29 S30 D31R29-E33 HydrophobicContact CB-CB 4.42Å; S30-E33 PolarHBondContact OG-N 3.45Å; D31-E33 VanDerWaalsContact C-N 3.33Å; D31-E33 PolarHBondContact O-N 2.57Å
34C91.6Very high88.3Confident4 Ų483.9 Ų83.93%0.02744%0.438CS..  trans-82.3128.5-176.6-165.80000111.4R29 S30 D31 F36 H38 H74R29-C34 HydrophobicContact CB-CB 4.2Å; S30-C34 VanDerWaalsContact O-CB 3.25Å; S30-C34 WeakPolarHBondContact O-CB 3.48Å; S30-C34 PolarHBondContact O-N 3.24Å; S30-C34 VanDerWaalsContact O-N 3.12Å; D31-C34 PolarHBondContact O-N 2.91Å; C34-F36 PolarHBondContact O-N 2.91Å; C34-F36 PolarHBondContact SG-O 3.25Å; C34-F36 VanDerWaalsContact SG-O 3.36Å; C34-H38 PolarHBondContact SG-NE2 3.44Å; C34-H74 CovalentContact O-NE2 1.81Å; C34-H74 PolarHBondContact O-NE2 2.79Å
35K90.1Very high88.2Confident142 Ų14278.2 Ų78.262%0.61742%0.423SS*.SBendtrans-61.5-13.5174.9175.8177.2175.3-56.50113.6
36F92.5Very high87.8Confident67 Ų6781.4 Ų81.429%0.29442%0.419SS..SBendtrans-132.5152.5-172.5-61.6-82.4000110.6E17 C19 C34E17-F36 HydrophobicContact CB-CD1 3.92Å; E17-F36 HydrophobicContact CB-CE1 4.34Å; C19-F36 VanDerWaalsContact CA-CB 3.47Å; C19-F36 HydrophobicContact CB-CB 3.69Å; C34-F36 PolarHBondContact O-N 2.91Å; C34-F36 PolarHBondContact SG-O 3.25Å; C34-F36 VanDerWaalsContact SG-O 3.36Å
37A92.6Very high87.5Confident1 Ų185 Ų851%0.00844%0.436CS..BIsolated β-bridgetrans-65.7139.1-173.600000113.2L16 E17 V18 C19 P39 V50 L69L16-A37 HydrophobicContact CB-CB 4.04Å; L16-A37 HydrophobicContact CD1-CB 4.3Å; E17-A37 PolarHBondContact O-N 3.26Å; V18-A37 WeakPolarHBondContact CA-O 3.49Å; C19-A37 PolarHBondContact N-O 3.39Å; A37-P39 VanDerWaalsContact O-CD 3.29Å; A37-P39 WeakPolarHBondContact O-CD 3.41Å; A37-V50 HydrophobicContact CB-CG2 4.47Å; A37-L69 HydrophobicContact CB-CD2 3.58Å
38H91.8Very high87.2Confident26 Ų2684.9 Ų84.912%0.1244%0.439CS..  trans-106.389.8168.4-68.2174.8000109.1C19 F22 R29 D31 C34C19-H38 VanDerWaalsContact CB-CD2 3.4Å; C19-H38 WeakPolarHBondContact CB-CD2 3.01Å; C19-H38 WeakPolarHBondContact CB-NE2 3.31Å; F22-H38 VanDerWaalsContact CB-CD2 3.48Å; F22-H38 WeakPolarHBondContact CB-CD2 3.43Å; F22-H38 HydrophobicContact CD1-CB 4.2Å; F22-H38 HydrophobicContact CD2-CB 4.11Å; F22-H38 AromaticContact CD2-CD2 3.77Å; F22-H38 AromaticContact CD2-CG 3.67Å; F22-H38 AromaticContact CD2-ND1 3.85Å; F22-H38 HydrophobicContact CE1-CB 4.08Å; F22-H38 HydrophobicContact CE2-CB 3.98Å; F22-H38 AromaticContact CE2-CG 4Å; F22-H38 HydrophobicContact CG-CB 4.22Å; F22-H38 AromaticContact CG-CD2 3.52Å; F22-H38 AromaticContact CG-CG 3.81Å; F22-H38 AromaticContact CG-NE2 3.95Å; F22-H38 HydrophobicContact CZ-CB 3.97Å; R29-H38 PolarHBondContact O-CE1 3.46Å; D31-H38 HydrophobicContact CB-CB 4.05Å; C34-H38 PolarHBondContact SG-NE2 3.44Å
39P89.1Confident87.2Confident14 Ų1484 Ų849%0.09142%0.416CS..  trans-69.8137.7-179.925.7-32.3000112.1V18 F22 A37 C43 V45 V50V18-P39 HydrophobicContact CG1-CG 4.17Å; V18-P39 HydrophobicContact CG2-CG 3.97Å; F22-P39 WeakPolarHBondContact CE1-O 3.27Å; A37-P39 VanDerWaalsContact O-CD 3.29Å; A37-P39 WeakPolarHBondContact O-CD 3.41Å; P39-C43 HydrophobicContact CB-CB 4.05Å; P39-V45 HydrophobicContact CB-CG2 4.08Å; P39-V45 HydrophobicContact CG-CG2 3.72Å; P39-V50 HydrophobicContact CB-CG1 4.03Å; P39-V50 HydrophobicContact CG-CG1 4.07Å
40P85.1Confident87.2Confident64 Ų6477.7 Ų77.742%0.41639%0.393SS..  trans-66.9159.3165.731.1-35.4000110.4S42 C43P40-S42 PolarHBondContact O-N 2.93Å; P40-C43 HydrophobicContact CG-CB 4.31Å; P40-C43 PolarHBondContact O-N 3.12Å
41K78.3Confident87.3Confident225 Ų22577.8 Ų77.898%0.97839%0.389SS*.THydrogen-bonded Turntrans-59.5-14.6-176.2-61.2179.8-178.1177.20114.6
42S76.2Confident87.5Confident76 Ų7674.7 Ų74.753%0.53137%0.372SS..THydrogen-bonded Turntrans-87.5-16.9176.6490000114.5P40P40-S42 PolarHBondContact O-N 2.93Å
43C82.2Confident87.7Confident14 Ų1469.1 Ų69.110%0.09535%0.347CS..SBendtrans-82.8134.7-179.9-78.30000111.9P39 P40 V45 K67P39-C43 HydrophobicContact CB-CB 4.05Å; P40-C43 HydrophobicContact CG-CB 4.31Å; P40-C43 PolarHBondContact O-N 3.12Å; C43-V45 PolarHBondContact O-N 3.36Å; C43-K67 PolarHBondContact SG-O 2.88Å; C43-K67 VanDerWaalsContact SG-O 3.38Å
44Q79.8Confident87.7Confident137 Ų13766.6 Ų66.664%0.6433%0.334SS*.  trans-70.7120.3173.8-68.4177.8-38.100110
45V87.3Confident87.7Confident61 Ų6169.7 Ų69.737%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-104.1114.2174.2-178.50000108.5V18 P39 C43 R49 V50V18-V45 HydrophobicContact CG2-CG1 3.76Å; V18-V45 HydrophobicContact CG2-CG2 4.33Å; P39-V45 HydrophobicContact CB-CG2 4.08Å; P39-V45 HydrophobicContact CG-CG2 3.72Å; C43-V45 PolarHBondContact O-N 3.36Å; V45-R49 CarbonylContact C-O 3.55Å; V45-R49 WeakPolarHBondContact CA-O 3.25Å; V45-V50 HydrophobicContact CG1-CG1 4.49Å; V45-V50 HydrophobicContact CG2-CG1 3.99Å
46E82.4Confident87.7Confident138 Ų13863.8 Ų63.865%0.64533%0.327SS*.EExtended strand (participates in β ladder)trans-116123.1-178.1-172-178.3169.800109.4G48 R49E46-G48 PolarHBondContact O-N 2.89Å; E46-G48 VanDerWaalsContact O-N 3.08Å; E46-R49 PolarHBondContact N-O 2.93Å; E46-R49 WeakPolarHBondContact O-CA 3.36Å; E46-R49 PolarHBondContact O-N 2.87Å
47N86.9Confident87.6Confident152 Ų15260.9 Ų60.981%0.81331%0.314SS*.THydrogen-bonded Turntrans51.633.6180-67.1-63.9000114.5R49N47-R49 VanDerWaalsContact C-N 3.28Å; N47-R49 PolarHBondContact O-N 3.07Å
48G87.2Confident87.4Confident26 Ų2666.2 Ų66.227%0.26834%0.337SS..THydrogen-bonded Turntrans74.713-176.800000114.7V18 E46V18-G48 PolarHBondContact N-O 3.07Å; E46-G48 PolarHBondContact O-N 2.89Å; E46-G48 VanDerWaalsContact O-N 3.08Å
49R91.3Very high87.2Confident108 Ų10868.1 Ų68.141%0.40836%0.363SS..EExtended strand (participates in β ladder)trans-117.6159.3174.7-59.9179.3-171.2-77.1-20.5110.7L16 E17 V45 E46 N47L16-R49 CarbonylContact O-C 3.57Å; L16-R49 WeakPolarHBondContact O-CA 3.45Å; L16-R49 WeakPolarHBondContact O-CB 3.29Å; E17-R49 HydrophobicContact CG-CG 4.35Å; E17-R49 IonicContact OE1-CZ 3.18Å; E17-R49 IonicContact OE1-NH1 2.79Å; E17-R49 PolarHBondContact OE1-NH1 2.74Å; E17-R49 IonicContact OE1-NH2 2.74Å; E17-R49 PolarHBondContact OE1-NH2 3.03Å; V45-R49 CarbonylContact C-O 3.55Å; V45-R49 WeakPolarHBondContact CA-O 3.25Å; E46-R49 PolarHBondContact N-O 2.93Å; E46-R49 WeakPolarHBondContact O-CA 3.36Å; E46-R49 PolarHBondContact O-N 2.87Å; N47-R49 VanDerWaalsContact C-N 3.28Å; N47-R49 PolarHBondContact O-N 3.07Å
50V92Very high87.2Confident3 Ų376.9 Ų76.92%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-132.7150.9175.3-30.60000109.4T15 L16 V18 A37 P39 V45 L69T15-V50 CarbonylContact C-O 3.58Å; T15-V50 VanDerWaalsContact CA-O 3.3Å; T15-V50 WeakPolarHBondContact CA-O 3.42Å; L16-V50 PolarHBondContact N-O 2.76Å; L16-V50 PolarHBondContact O-N 3.33Å; V18-V50 HydrophobicContact CG2-CG1 3.24Å; A37-V50 HydrophobicContact CB-CG2 4.47Å; P39-V50 HydrophobicContact CB-CG1 4.03Å; P39-V50 HydrophobicContact CG-CG1 4.07Å; V45-V50 HydrophobicContact CG1-CG1 4.49Å; V45-V50 HydrophobicContact CG2-CG1 3.99Å; V50-L69 HydrophobicContact CG2-CB 3.81Å; V50-L69 HydrophobicContact CG2-CD2 3.7Å; V50-L69 HydrophobicContact CG2-CG 4.42Å
51I91.4Very high87.5Confident54 Ų5475.3 Ų75.328%0.27739%0.385SS..EExtended strand (participates in β ladder)trans-90123.7173.5-59.7171.8000108.7L14 T15 Y68 L69L14-I51 HydrophobicContact CB-CG2 4.26Å; T15-I51 HydrophobicContact CG2-CG1 4.35Å; I51-Y68 HydrophobicContact CB-CD1 4.01Å; I51-Y68 HydrophobicContact CB-CE1 4.43Å; I51-Y68 HydrophobicContact CG2-CD1 3.82Å; I51-Y68 HydrophobicContact CG2-CE1 4.14Å; I51-Y68 WeakPolarHBondContact O-CB 3.44Å; I51-L69 PolarHBondContact O-N 1.81Å; I51-L69 VanDerWaalsContact O-N 3.16Å
52A91.9Very high88Confident1 Ų171 Ų711%0.00838%0.378CS..BIsolated β-bridgetrans-79.9150.5173.400000111.8L14 F54 L69 P71 L79L14-A52 PolarHBondContact O-N 3.37Å; A52-F54 PolarHBondContact O-N 3.47Å; A52-L69 CarbonylContact C-O 3.46Å; A52-L69 WeakPolarHBondContact CA-O 2.97Å; A52-P71 HydrophobicContact CB-CG 4.28Å; A52-L79 HydrophobicContact CB-CD1 3.43Å; A52-L79 VanDerWaalsContact CB-CD1 3.43Å
53C91.6Very high88.7Confident4 Ų475.9 Ų75.93%0.02739%0.385CS..  trans-72.3113.4-179.5-170.70000111D55 S56 L57 C66 L69C53-D55 PolarHBondContact O-N 3.37Å; C53-S56 WeakPolarHBondContact CB-OG 3.3Å; C53-S56 PolarHBondContact O-N 3.06Å; C53-S56 PolarHBondContact O-OG 3.14Å; C53-L57 PolarHBondContact O-N 3.27Å; C53-L57 VanDerWaalsContact O-N 3.14Å; C53-C66 VanDerWaalsContact SG-SG 3.63Å; C53-L69 PolarHBondContact N-O 3.06Å
54F90.5Very high88.5Confident81 Ų8182.9 Ų82.936%0.35542%0.416SS..Hα-helixtrans-54.9-40.7174.6179.9-94.5000111.8W13 L14 A52 S56 L57 K58W13-F54 AromaticContact CH2-CD2 3.85Å; W13-F54 HydrophobicContact CH2-CD2 3.85Å; W13-F54 AromaticContact CH2-CE2 3.92Å; W13-F54 HydrophobicContact CH2-CE2 3.92Å; W13-F54 AromaticContact CZ2-CD2 3.89Å; W13-F54 HydrophobicContact CZ2-CD2 3.89Å; W13-F54 AromaticContact CZ2-CE2 3.84Å; W13-F54 HydrophobicContact CZ2-CE2 3.84Å; L14-F54 HydrophobicContact CD1-CB 4.1Å; L14-F54 HydrophobicContact CD1-CD2 4.3Å; L14-F54 HydrophobicContact CD2-CB 4.36Å; L14-F54 HydrophobicContact CD2-CD2 4.29Å; A52-F54 PolarHBondContact O-N 3.47Å; F54-S56 PolarHBondContact O-N 3.49Å; F54-L57 WeakPolarHBondContact O-CB 3.43Å; F54-L57 PolarHBondContact O-N 2.9Å; F54-K58 HydrophobicContact CD1-CG 4.31Å; F54-K58 HydrophobicContact CE1-CG 3.92Å; F54-K58 HydrophobicContact CZ-CG 4.14Å; F54-K58 WeakPolarHBondContact O-CG 3.12Å; F54-K58 PolarHBondContact O-N 3.28Å
55D91.4Very high88.7Confident70 Ų7082.7 Ų82.737%0.37442%0.419SS..Hα-helixtrans-72.7-26.4-178.2-61-77.3000113.1C53 K58 G59 R60 C61C53-D55 PolarHBondContact O-N 3.37Å; D55-K58 CarbonylContact O-C 3.46Å; D55-K58 PolarHBondContact O-N 2.88Å; D55-G59 PolarHBondContact O-N 3.48Å; D55-R60 HydrophobicContact CB-CB 4.41Å; D55-R60 PolarHBondContact O-N 2.38Å; D55-C61 HydrophobicContact CB-CB 3.88Å; D55-C61 PolarHBondContact O-N 2.86Å; D55-C61 VanDerWaalsContact O-N 3.09Å
56S90.4Very high88.7Confident18 Ų1880.6 Ų80.613%0.12641%0.407CS..Hα-helixtrans-78.1-33.9172.477.70000112.3C53 F54 K58 G59 H70C53-S56 WeakPolarHBondContact CB-OG 3.3Å; C53-S56 PolarHBondContact O-N 3.06Å; C53-S56 PolarHBondContact O-OG 3.14Å; F54-S56 PolarHBondContact O-N 3.49Å; S56-K58 PolarHBondContact O-N 3.17Å; S56-G59 PolarHBondContact O-N 3.38Å; S56-H70 PolarHBondContact OG-CD2 3.05Å
57L90.1Very high88.9Confident5 Ų579.3 Ų79.33%0.02640%0.399CS..Hα-helixtrans-56.3-40.3165.8-62.1175.1000110.4W13 L14 C53 F54 G59 P71 K76 L79W13-L57 HydrophobicContact CH2-CD1 4.38Å; W13-L57 HydrophobicContact CZ3-CD1 4.05Å; L14-L57 HydrophobicContact CD2-CD1 3.47Å; L14-L57 VanDerWaalsContact CD2-CD1 3.47Å; C53-L57 PolarHBondContact O-N 3.27Å; C53-L57 VanDerWaalsContact O-N 3.14Å; F54-L57 WeakPolarHBondContact O-CB 3.43Å; F54-L57 PolarHBondContact O-N 2.9Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 3.08Å; L57-P71 HydrophobicContact CD2-CG 3.73Å; L57-K76 HydrophobicContact CD2-CB 3.96Å; L57-K76 HydrophobicContact CD2-CD 4.41Å; L57-K76 HydrophobicContact CD2-CG 3.74Å; L57-K76 WeakPolarHBondContact O-CE 3.45Å; L57-K76 PolarHBondContact O-NZ 3.5Å; L57-L79 HydrophobicContact CD1-CB 4.02Å; L57-L79 HydrophobicContact CD1-CD1 4.24Å; L57-L79 HydrophobicContact CD2-CB 4.04Å; L57-L79 HydrophobicContact CD2-CD1 3.94Å
58K87.9Confident89.1Confident114 Ų11476.8 Ų76.850%0.49638%0.379SS..THydrogen-bonded Turntrans-81.80.6175.5-60.3-51.9-178-172.40115.6F54 D55 S56 R60F54-K58 HydrophobicContact CD1-CG 4.31Å; F54-K58 HydrophobicContact CE1-CG 3.92Å; F54-K58 HydrophobicContact CZ-CG 4.14Å; F54-K58 WeakPolarHBondContact O-CG 3.12Å; F54-K58 PolarHBondContact O-N 3.28Å; D55-K58 CarbonylContact O-C 3.46Å; D55-K58 PolarHBondContact O-N 2.88Å; S56-K58 PolarHBondContact O-N 3.17Å; K58-R60 HydrophobicContact CB-CG 4.35Å; K58-R60 PolarHBondContact O-N 3.16Å
59G87.7Confident89.3Confident65 Ų6576.3 Ų76.367%0.6737%0.37SS*.THydrogen-bonded Turntrans67.221.6-179.100000114.6D55 S56 L57D55-G59 PolarHBondContact O-N 3.48Å; S56-G59 PolarHBondContact O-N 3.38Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 3.08Å
60R90.6Very high89.3Confident198 Ų19874.5 Ų74.575%0.74737%0.366SS*.  trans-107.7-15.6-178-65.3-178.2178.5-172.3-3.9113.9D55 K58 T62D55-R60 HydrophobicContact CB-CB 4.41Å; D55-R60 PolarHBondContact O-N 2.38Å; K58-R60 HydrophobicContact CB-CG 4.35Å; K58-R60 PolarHBondContact O-N 3.16Å; R60-T62 PolarHBondContact O-N 3.01Å
61C90Very high89.2Confident32 Ų3275.1 Ų75.122%0.21637%0.37CS..  trans-80.5112177.2-165.20000110.9D55 H70D55-C61 HydrophobicContact CB-CB 3.88Å; D55-C61 PolarHBondContact O-N 2.86Å; D55-C61 VanDerWaalsContact O-N 3.09Å; C61-H70 VanDerWaalsContact SG-CE1 3.54Å; C61-H70 PolarHBondContact SG-NE2 3.42Å
62T88.9Confident89.2Confident135 Ų13573.4 Ų73.483%0.82836%0.363SS*.  trans-97.4-1.1174.851.40000113.7R60R60-T62 PolarHBondContact O-N 3.01Å
63R90.4Very high89.1Confident178 Ų17877.1 Ų77.167%0.67239%0.393SS*.  trans-76.8122.7179.2-73.2179.9166.8179.3-6.2111.2C66 H70R63-C66 HydrophobicContact CB-CB 4.37Å; R63-H70 PolarHBondContact O-CE1 3.44Å; R63-H70 VanDerWaalsContact O-CE1 3.23Å
64E78.8Confident89.1Confident160 Ų16080.3 Ų80.375%0.74841%0.408SS*.SBendtrans-69.1-44.116864.1-61.287.300111.3C66E64-C66 VanDerWaalsContact C-N 3.31Å; E64-C66 PolarHBondContact O-N 2.71Å
65N83Confident89.1Confident134 Ų13476.7 Ų76.772%0.71739%0.392SS*.SBendtrans-91.657175.4-74.3-68.7000112
66C88.1Confident89.2Confident16 Ų1676.2 Ų76.211%0.10839%0.387CS..  trans-72.7139.3178.6-167.30000112.4C53 R63 E64 Y68 H70C53-C66 VanDerWaalsContact SG-SG 3.63Å; R63-C66 HydrophobicContact CB-CB 4.37Å; E64-C66 VanDerWaalsContact C-N 3.31Å; E64-C66 PolarHBondContact O-N 2.71Å; C66-Y68 PolarHBondContact O-N 3.12Å; C66-Y68 PolarHBondContact SG-O 3.07Å; C66-H70 VanDerWaalsContact CB-NE2 3.27Å; C66-H70 WeakPolarHBondContact CB-NE2 3.49Å; C66-H70 PolarHBondContact SG-NE2 3.18Å
67K87.6Confident89.3Confident111 Ų11178.9 Ų78.948%0.48340%0.402SS..SBendtrans-61.6-33.6175.1-179.1-178.8177.4-172.20112.4C43C43-K67 PolarHBondContact SG-O 2.88Å; C43-K67 VanDerWaalsContact SG-O 3.38Å
68Y89.9Confident89.4Confident100 Ų10083 Ų8339%0.39242%0.421SS..SBendtrans-106.6144.9-174.5-54.9-65.1000110I51 C66 H70I51-Y68 HydrophobicContact CB-CD1 4.01Å; I51-Y68 HydrophobicContact CB-CE1 4.43Å; I51-Y68 HydrophobicContact CG2-CD1 3.82Å; I51-Y68 HydrophobicContact CG2-CE1 4.14Å; I51-Y68 WeakPolarHBondContact O-CB 3.44Å; C66-Y68 PolarHBondContact O-N 3.12Å; C66-Y68 PolarHBondContact SG-O 3.07Å; Y68-H70 PolarHBondContact O-N 2.76Å
69L91.3Very high89.6Confident15 Ų1577.6 Ų77.68%0.07940%0.398CS..BIsolated β-bridgetrans-58.4137.3-176.6176.963.4000111L16 A37 V50 I51 A52 C53 P71L16-L69 HydrophobicContact CD1-CD2 4.36Å; A37-L69 HydrophobicContact CB-CD2 3.58Å; V50-L69 HydrophobicContact CG2-CB 3.81Å; V50-L69 HydrophobicContact CG2-CD2 3.7Å; V50-L69 HydrophobicContact CG2-CG 4.42Å; I51-L69 PolarHBondContact O-N 1.81Å; I51-L69 VanDerWaalsContact O-N 3.16Å; A52-L69 CarbonylContact C-O 3.46Å; A52-L69 WeakPolarHBondContact CA-O 2.97Å; C53-L69 PolarHBondContact N-O 3.06Å; L69-P71 VanDerWaalsContact O-CD 3.27Å; L69-P71 WeakPolarHBondContact O-CD 2.74Å
70H91.5Very high89.8Confident71 Ų7177 Ų7733%0.32938%0.378SS..  trans-91.6104.4165-72.8-168.8000108.1S56 C61 R63 C66 Y68S56-H70 PolarHBondContact OG-CD2 3.05Å; C61-H70 VanDerWaalsContact SG-CE1 3.54Å; C61-H70 PolarHBondContact SG-NE2 3.42Å; R63-H70 PolarHBondContact O-CE1 3.44Å; R63-H70 VanDerWaalsContact O-CE1 3.23Å; C66-H70 VanDerWaalsContact CB-NE2 3.27Å; C66-H70 WeakPolarHBondContact CB-NE2 3.49Å; C66-H70 PolarHBondContact SG-NE2 3.18Å; Y68-H70 PolarHBondContact O-N 2.76Å
71P89.7Confident89.8Confident15 Ų1571.7 Ų71.710%0.09736%0.363CS..  trans-77.9141.3-174.730.6-33.9000111.5L16 A52 L57 L69 L75 K76 L79L16-P71 HydrophobicContact CD1-CB 4.02Å; A52-P71 HydrophobicContact CB-CG 4.28Å; L57-P71 HydrophobicContact CD2-CG 3.73Å; L69-P71 VanDerWaalsContact O-CD 3.27Å; L69-P71 WeakPolarHBondContact O-CD 2.74Å; P71-L75 HydrophobicContact CB-CB 3.81Å; P71-K76 HydrophobicContact CG-CB 4.26Å; P71-L79 HydrophobicContact CB-CD1 4.3Å; P71-L79 HydrophobicContact CG-CD1 3.89Å
72P92.1Very high89.9Confident19 Ų1972.9 Ų72.912%0.12337%0.367CS..  trans-63.1167.2170.328-37.1000111.8D31 E32 H74 L75 K76D31-P72 WeakPolarHBondContact OD2-CD 3.3Å; D31-P72 VanDerWaalsContact OD2-CG 3.31Å; D31-P72 WeakPolarHBondContact OD2-CG 3.49Å; E32-P72 HydrophobicContact CG-CB 4.36Å; P72-H74 WeakPolarHBondContact CB-CE1 3.36Å; P72-H74 WeakPolarHBondContact CG-CE1 3.36Å; P72-H74 PolarHBondContact O-N 3.3Å; P72-H74 VanDerWaalsContact O-N 3.16Å; P72-L75 HydrophobicContact CG-CB 4.43Å; P72-L75 HydrophobicContact CG-CD1 3.99Å; P72-L75 PolarHBondContact O-N 2.79Å; P72-L75 VanDerWaalsContact O-N 3.08Å; P72-K76 PolarHBondContact O-N 3.31Å
73A89.2Confident90Very high78 Ų7867 Ų6765%0.64533%0.333SS*.Hα-helixtrans-52.7-43.3-164.200000115K76 T77A73-K76 WeakPolarHBondContact O-CB 3.17Å; A73-K76 PolarHBondContact O-N 3.41Å; A73-T77 PolarHBondContact O-N 2.79Å; A73-T77 PolarHBondContact O-OG1 3.02Å
74H91.1Very high90Very high72 Ų7266.6 Ų66.633%0.33333%0.332SS..Hα-helixtrans-67-44.2179.262.4-55.8000112.6D31 E32 C34 P72 K76 T77 Q78D31-H74 PolarHBondContact O-CE1 3.37Å; D31-H74 PolarHBondContact O-NE2 3.37Å; E32-H74 WeakPolarHBondContact CA-CE1 3.45Å; E32-H74 PolarHBondContact O-CE1 2.89Å; E32-H74 PolarHBondContact O-ND1 2.83Å; C34-H74 CovalentContact O-NE2 1.81Å; C34-H74 PolarHBondContact O-NE2 2.79Å; P72-H74 WeakPolarHBondContact CB-CE1 3.36Å; P72-H74 WeakPolarHBondContact CG-CE1 3.36Å; P72-H74 PolarHBondContact O-N 3.3Å; P72-H74 VanDerWaalsContact O-N 3.16Å; H74-K76 VanDerWaalsContact C-N 3.35Å; H74-T77 PolarHBondContact O-N 3.47Å; H74-Q78 PolarHBondContact O-N 3Å
75L92.3Very high90.6Very high4 Ų462.6 Ų62.62%0.02132%0.316CS..Hα-helixtrans-68.6-34.3176.3-75.5169.3000111.6L16 P71 P72 Q78 L79L16-L75 HydrophobicContact CD1-CB 4.04Å; L16-L75 HydrophobicContact CD1-CD1 4.31Å; L16-L75 HydrophobicContact CD1-CD2 4.15Å; L16-L75 HydrophobicContact CD1-CG 4.4Å; L16-L75 HydrophobicContact CD2-CD2 3.93Å; P71-L75 HydrophobicContact CB-CB 3.81Å; P72-L75 HydrophobicContact CG-CB 4.43Å; P72-L75 HydrophobicContact CG-CD1 3.99Å; P72-L75 PolarHBondContact O-N 2.79Å; P72-L75 VanDerWaalsContact O-N 3.08Å; L75-Q78 PolarHBondContact O-N 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3Å
76K92.4Very high91Very high61 Ų6157.7 Ų57.727%0.26529%0.29SS..Hα-helixtrans-58.9-53.7170.2166165.4-178.9166.70111.4L57 P71 P72 A73 H74 Q78 L79 E80L57-K76 HydrophobicContact CD2-CB 3.96Å; L57-K76 HydrophobicContact CD2-CD 4.41Å; L57-K76 HydrophobicContact CD2-CG 3.74Å; L57-K76 WeakPolarHBondContact O-CE 3.45Å; L57-K76 PolarHBondContact O-NZ 3.5Å; P71-K76 HydrophobicContact CG-CB 4.26Å; P72-K76 PolarHBondContact O-N 3.31Å; A73-K76 WeakPolarHBondContact O-CB 3.17Å; A73-K76 PolarHBondContact O-N 3.41Å; H74-K76 VanDerWaalsContact C-N 3.35Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 3.33Å; K76-L79 PolarHBondContact O-N 2.95Å; K76-L79 VanDerWaalsContact O-N 3.13Å; K76-E80 VanDerWaalsContact CE-OE1 3.28Å; K76-E80 WeakPolarHBondContact CE-OE1 3.43Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 2.99Å
77T92Very high91Very high74 Ų7462 Ų6245%0.45431%0.311SS..Hα-helixtrans-61.7-37.2179.2-60.50000111.8A73 H74 L79 E80 I81A73-T77 PolarHBondContact O-N 2.79Å; A73-T77 PolarHBondContact O-OG1 3.02Å; H74-T77 PolarHBondContact O-N 3.47Å; T77-L79 PolarHBondContact O-N 3.47Å; T77-E80 PolarHBondContact O-N 3.13Å; T77-I81 HydrophobicContact CG2-CD1 4.07Å; T77-I81 VanDerWaalsContact O-CG1 3.32Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 3.35Å
78Q92.1Very high91Very high91 Ų9161.7 Ų61.743%0.42531%0.313SS..Hα-helixtrans-61.4-43.2174.1-173.4177.9-7.100112.3H74 L75 K76 I81 N82H74-Q78 PolarHBondContact O-N 3Å; L75-Q78 PolarHBondContact O-N 3.22Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 3.33Å; Q78-I81 PolarHBondContact O-N 2.95Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 3.31Å
79L92.8Very high90.9Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-66.4-38.2175.9-74167.4000112.7W13 L16 A52 L57 P71 L75 K76 T77 I81 N82 G83W13-L79 WeakPolarHBondContact CZ3-O 3.1Å; W13-L79 WeakPolarHBondContact O-CD2 3.41Å; L16-L79 HydrophobicContact CD1-CD1 3.78Å; L16-L79 HydrophobicContact CD1-CG 4.43Å; L16-L79 HydrophobicContact CD2-CD1 4.05Å; L16-L79 HydrophobicContact CD2-CD2 3.73Å; L16-L79 HydrophobicContact CD2-CG 3.77Å; L16-L79 HydrophobicContact CG-CD1 3.86Å; L16-L79 HydrophobicContact CG-CD2 3.99Å; L16-L79 HydrophobicContact CG-CG 4.1Å; A52-L79 HydrophobicContact CB-CD1 3.43Å; A52-L79 VanDerWaalsContact CB-CD1 3.43Å; L57-L79 HydrophobicContact CD1-CB 4.02Å; L57-L79 HydrophobicContact CD1-CD1 4.24Å; L57-L79 HydrophobicContact CD2-CB 4.04Å; L57-L79 HydrophobicContact CD2-CD1 3.94Å; P71-L79 HydrophobicContact CB-CD1 4.3Å; P71-L79 HydrophobicContact CG-CD1 3.89Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3Å; K76-L79 PolarHBondContact O-N 2.95Å; K76-L79 VanDerWaalsContact O-N 3.13Å; T77-L79 PolarHBondContact O-N 3.47Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.27Å; L79-N82 PolarHBondContact O-N 2.86Å; L79-G83 PolarHBondContact O-N 3.42Å
80E91.8Very high90.7Very high54 Ų5467 Ų6725%0.25234%0.341SS..Hα-helixtrans-65-35.8175.7-70.1174.9147.600112.3K76 T77 R84K76-E80 VanDerWaalsContact CE-OE1 3.28Å; K76-E80 WeakPolarHBondContact CE-OE1 3.43Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 2.99Å; T77-E80 PolarHBondContact O-N 3.13Å; E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.28Å; E80-R84 PolarHBondContact O-N 3.06Å
81I91.3Very high90.5Very high85 Ų8571.5 Ų71.544%0.43636%0.36SS..Hα-helixtrans-67.4-46.2171.4-67.9164000110.5T77 Q78 L79 G83 R84 N85T77-I81 HydrophobicContact CG2-CD1 4.07Å; T77-I81 VanDerWaalsContact O-CG1 3.32Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 3.35Å; Q78-I81 PolarHBondContact O-N 2.95Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.27Å; I81-G83 VanDerWaalsContact C-N 3.35Å; I81-G83 PolarHBondContact O-N 3.5Å; I81-R84 PolarHBondContact O-N 3.27Å; I81-N85 PolarHBondContact O-N 2.87Å; I81-N85 PolarHBondContact O-ND2 2.95Å
82N91.4Very high90.5Very high58 Ų5874.4 Ų74.431%0.3138%0.378SS..Hα-helixtrans-59.4-43177.7-72.3-16000112.2W13 Q78 L79 N85 N86W13-N82 HydrophobicContact CB-CB 4.46Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 3.31Å; L79-N82 PolarHBondContact O-N 2.86Å; N82-N85 PolarHBondContact O-N 3.38Å; N82-N86 WeakPolarHBondContact O-CB 3.46Å; N82-N86 PolarHBondContact O-N 3.19Å
83G91.5Very high90.1Very high11 Ų1176.4 Ų76.411%0.11340%0.395CS..Hα-helixtrans-65.2-38.9177.300000113.4L79 I81 N86 L87L79-G83 PolarHBondContact O-N 3.42Å; I81-G83 VanDerWaalsContact C-N 3.35Å; I81-G83 PolarHBondContact O-N 3.5Å; G83-N86 PolarHBondContact O-N 2.95Å; G83-L87 WeakPolarHBondContact O-CB 3.38Å; G83-L87 PolarHBondContact O-N 3.35Å
84R90.4Very high89.8Confident169 Ų16975.4 Ų75.464%0.63839%0.388SS*.Hα-helixtrans-62.6-45.9172-70.3171.4-165.1-172.26.3111.3E80 I81 N86 L87 I88E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.28Å; E80-R84 PolarHBondContact O-N 3.06Å; I81-R84 PolarHBondContact O-N 3.27Å; R84-N86 PolarHBondContact O-N 3.49Å; R84-L87 PolarHBondContact O-N 2.99Å; R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.29Å; R84-I88 PolarHBondContact O-N 3.36Å
85N91.6Very high89.4Confident76 Ų7674.7 Ų74.741%0.40639%0.394SS..Hα-helixtrans-63.6-41.1178.7-71.7-24.4000112.2I81 N82 I88 Q89I81-N85 PolarHBondContact O-N 2.87Å; I81-N85 PolarHBondContact O-ND2 2.95Å; N82-N85 PolarHBondContact O-N 3.38Å; N85-I88 PolarHBondContact O-N 2.93Å; N85-Q89 VanDerWaalsContact O-CG 3.26Å; N85-Q89 WeakPolarHBondContact O-CG 3.4Å; N85-Q89 PolarHBondContact O-N 3.47Å
86N90.6Very high88.9Confident32 Ų3280.7 Ų80.717%0.17142%0.423CS..Hα-helixtrans-66.5-39.9176.7179.6-118.4000112.1W13 N82 G83 R84 Q89 Q90W13-N86 HydrophobicContact CB-CB 3.97Å; W13-N86 HydrophobicContact CG-CB 4.26Å; N82-N86 WeakPolarHBondContact O-CB 3.46Å; N82-N86 PolarHBondContact O-N 3.19Å; G83-N86 PolarHBondContact O-N 2.95Å; R84-N86 PolarHBondContact O-N 3.49Å; N86-Q89 PolarHBondContact O-N 3.41Å; N86-Q90 WeakPolarHBondContact O-CB 3.26Å; N86-Q90 PolarHBondContact O-N 2.99Å
87L88.2Confident88.4Confident107 Ų10782.9 Ų82.956%0.5644%0.437SS*.Hα-helixtrans-65.2-38.2173.6-177.762.5000112.6G83 R84 Q90 K91G83-L87 WeakPolarHBondContact O-CB 3.38Å; G83-L87 PolarHBondContact O-N 3.35Å; R84-L87 PolarHBondContact O-N 2.99Å; L87-Q90 PolarHBondContact O-N 3.41Å; L87-K91 WeakPolarHBondContact O-CB 3.35Å; L87-K91 PolarHBondContact O-N 2.98Å
88I88.4Confident87.5Confident103 Ų10382 Ų8253%0.52844%0.438SS..Hα-helixtrans-63-48.5173.3-69.4163.2000110.1R84 N85 Q90 K91 T92R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.29Å; R84-I88 PolarHBondContact O-N 3.36Å; N85-I88 PolarHBondContact O-N 2.93Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 3.49Å; I88-K91 PolarHBondContact O-N 3.38Å; I88-T92 PolarHBondContact O-N 2.87Å; I88-T92 PolarHBondContact O-OG1 2.74Å
89Q87.9Confident86.5Confident128 Ų12883.6 Ų83.660%0.59845%0.446SS*.Hα-helixtrans-58.5-43.6176.6-72.4166.24.400112N85 N86 T92 A93N85-Q89 VanDerWaalsContact O-CG 3.26Å; N85-Q89 WeakPolarHBondContact O-CG 3.4Å; N85-Q89 PolarHBondContact O-N 3.47Å; N86-Q89 PolarHBondContact O-N 3.41Å; Q89-T92 PolarHBondContact O-N 3.34Å; Q89-A93 WeakPolarHBondContact O-CB 3.13Å; Q89-A93 PolarHBondContact O-N 3.22Å
90Q85.8Confident85Confident99 Ų9989.6 Ų89.646%0.46347%0.473SS..Hα-helixtrans-62.1-44.2176.6-173.3176.880.400111.5D10 N86 L87 I88 A93 A94D10-Q90 PolarHBondContact OD2-NE2 3.43Å; N86-Q90 WeakPolarHBondContact O-CB 3.26Å; N86-Q90 PolarHBondContact O-N 2.99Å; L87-Q90 PolarHBondContact O-N 3.41Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 3.49Å; Q90-A93 PolarHBondContact O-N 2.86Å; Q90-A94 WeakPolarHBondContact O-CB 3.34Å; Q90-A94 PolarHBondContact O-N 3.37Å
91K87.9Confident83.4Confident165 Ų16592.6 Ų92.672%0.71749%0.489SS*.Hα-helixtrans-66-40.4175.9-171.3176.3-179.6-179.40112.4L87 I88 A95L87-K91 WeakPolarHBondContact O-CB 3.35Å; L87-K91 PolarHBondContact O-N 2.98Å; I88-K91 PolarHBondContact O-N 3.38Å; K91-A95 WeakPolarHBondContact O-CB 3.42Å; K91-A95 PolarHBondContact O-N 3.45Å
92T88.6Confident81.6Confident77 Ų7796.2 Ų96.247%0.47250%0.504SS..Hα-helixtrans-66-43.9176.2-63.80000111.6I88 Q89 A94 A95 M96I88-T92 PolarHBondContact O-N 2.87Å; I88-T92 PolarHBondContact O-OG1 2.74Å; Q89-T92 PolarHBondContact O-N 3.34Å; T92-A94 PolarHBondContact O-N 3.35Å; T92-A95 PolarHBondContact O-N 2.94Å; T92-M96 HydrophobicContact CG2-SD 4.45Å; T92-M96 WeakPolarHBondContact O-CG 3.39Å; T92-M96 PolarHBondContact O-N 3.01Å
93A84.3Confident79.9Confident60 Ų60102 Ų10250%0.49653%0.527SS..Hα-helixtrans-62.3-43176.400000111.9Q89 Q90 A95 M96 L97Q89-A93 WeakPolarHBondContact O-CB 3.13Å; Q89-A93 PolarHBondContact O-N 3.22Å; Q90-A93 PolarHBondContact O-N 2.86Å; A93-A95 PolarHBondContact O-N 2.93Å; A93-M96 PolarHBondContact O-N 3.17Å; A93-L97 WeakPolarHBondContact O-CB 3.38Å; A93-L97 PolarHBondContact O-N 3.49Å
94A83.6Confident77.8Confident58 Ų58107.6 Ų107.648%0.47955%0.551SS.*Hα-helixtrans-62.9-39.4174.100000112.5Q90 T92 L97 A98Q90-A94 WeakPolarHBondContact O-CB 3.34Å; Q90-A94 PolarHBondContact O-N 3.37Å; T92-A94 PolarHBondContact O-N 3.35Å; A94-L97 PolarHBondContact O-N 2.93Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.47Å
95A82.3Confident75.9Confident57 Ų57105.8 Ų105.847%0.47155%0.553SS.*Hα-helixtrans-66.1-41.7176.100000112.5K91 T92 A93 A98 Q99K91-A95 WeakPolarHBondContact O-CB 3.42Å; K91-A95 PolarHBondContact O-N 3.45Å; T92-A95 PolarHBondContact O-N 2.94Å; A93-A95 PolarHBondContact O-N 2.93Å; A95-A98 PolarHBondContact O-N 3.44Å; A95-Q99 WeakPolarHBondContact O-CB 3.48Å; A95-Q99 PolarHBondContact O-N 3.2Å
96M81.6Confident73.8Confident129 Ų129108.3 Ų108.364%0.63557%0.574SS**Hα-helixtrans-64.1-40.8174.8-70.5-176.37300112T92 A93 Q99 Q100T92-M96 HydrophobicContact CG2-SD 4.45Å; T92-M96 WeakPolarHBondContact O-CG 3.39Å; T92-M96 PolarHBondContact O-N 3.01Å; A93-M96 PolarHBondContact O-N 3.17Å; M96-Q99 PolarHBondContact O-N 2.96Å; M96-Q100 PolarHBondContact O-N 2.86Å
97L81.8Confident72Confident107 Ų107109.7 Ų109.756%0.5660%0.595SS**Hα-helixtrans-65.1-41.2176.4-177.262.1000112.1A93 A94 Q100 M101A93-L97 WeakPolarHBondContact O-CB 3.38Å; A93-L97 PolarHBondContact O-N 3.49Å; A94-L97 PolarHBondContact O-N 2.93Å; L97-Q100 PolarHBondContact O-N 3.23Å; L97-M101 WeakPolarHBondContact O-CG 3.44Å; L97-M101 PolarHBondContact O-N 2.95Å; L97-M101 VanDerWaalsContact O-N 3.1Å
98A74.4Confident69.8Low57 Ų57110.6 Ų110.647%0.47161%0.606SS.*Hα-helixtrans-62-43.7173.900000111.7A94 A95 Q100 M101 Q102A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.47Å; A95-A98 PolarHBondContact O-N 3.44Å; A98-Q100 VanDerWaalsContact C-N 3.32Å; A98-Q100 PolarHBondContact O-N 3Å; A98-M101 PolarHBondContact O-N 3.39Å; A98-Q102 PolarHBondContact O-N 3.49Å
99Q69.9Low68.1Low124 Ų124112.9 Ų112.958%0.57962%0.624SS**Hα-helixtrans-64.8-34.7177.1-164.217319.900112.1A95 M96 Q102A95-Q99 WeakPolarHBondContact O-CB 3.48Å; A95-Q99 PolarHBondContact O-N 3.2Å; M96-Q99 PolarHBondContact O-N 2.96Å; Q99-Q102 PolarHBondContact O-N 2.94Å
100Q60.9Low65.8Low125 Ų125114.7 Ų114.758%0.58464%0.635SS**Hα-helixtrans-65.9-44.2174.6-170.9178.119.100112.2M96 L97 A98 Q102 F103M96-Q100 PolarHBondContact O-N 2.86Å; L97-Q100 PolarHBondContact O-N 3.23Å; A98-Q100 VanDerWaalsContact C-N 3.32Å; A98-Q100 PolarHBondContact O-N 3Å; Q100-Q102 PolarHBondContact O-N 3.13Å; Q100-F103 PolarHBondContact O-N 3.41Å; Q100-F103 VanDerWaalsContact O-N 3.13Å
101M57.9Low64Low118 Ų118118.3 Ų118.358%0.58165%0.652SS**Hα-helixtrans-59.9-32.5175.9-66.7-116.573.600112L97 A98 F103 M104L97-M101 WeakPolarHBondContact O-CG 3.44Å; L97-M101 PolarHBondContact O-N 2.95Å; L97-M101 VanDerWaalsContact O-N 3.1Å; A98-M101 PolarHBondContact O-N 3.39Å; M101-F103 PolarHBondContact O-N 3.32Å; M101-M104 PolarHBondContact O-N 3.1Å
102Q54.4Low61.9Low160 Ų160116.1 Ų116.175%0.74865%0.654SS**THydrogen-bonded Turntrans-69-15.1179.4-130.71620.800114.1A98 Q99 Q100A98-Q102 PolarHBondContact O-N 3.49Å; Q99-Q102 PolarHBondContact O-N 2.94Å; Q100-Q102 PolarHBondContact O-N 3.13Å
103F55.2Low59.8Low179 Ų179118.5 Ų118.579%0.78567%0.669SS**THydrogen-bonded Turntrans-972.2170.1-81.2-85.2000113.8Q100 M101Q100-F103 PolarHBondContact O-N 3.41Å; Q100-F103 VanDerWaalsContact O-N 3.13Å; M101-F103 PolarHBondContact O-N 3.32Å
104M48.7Very low58Low129 Ų129123.4 Ų123.464%0.63568%0.681SS**SBendtrans-104.218.3-179.4-67.6-168.170.200114.4M101 P106M101-M104 PolarHBondContact O-N 3.1Å; M104-P106 WeakPolarHBondContact O-CD 3.43Å
105I50.1Low56.2Low132 Ų132126.5 Ų126.568%0.67769%0.694SS**  trans-115.293.3168.8-55.4-178.8000109.6G107I105-G107 PolarHBondContact O-N 2.82Å
106P48.2Very low54.3Low129 Ų129132.2 Ų132.284%0.83871%0.709SS**  trans-72.9109167.5-926000109.4M104M104-P106 WeakPolarHBondContact O-CD 3.43Å
107G51.9Low52.8Low60 Ų60132.2 Ų132.262%0.61972%0.718SS**  trans91.2103.7165.600000116.4I105I105-G107 PolarHBondContact O-N 2.82Å
108T42.4Very low51.1Low127 Ų127133.9 Ų133.978%0.77973%0.733SS**  -165.7115.2121.211.90000109.6M110T108-M110 PolarHBondContact O-N 3.49Å
109T51.7Low49.5Very low150 Ų150136.4 Ų136.492%0.9275%0.747SS**  trans-82.495.9174.5480000109.9
110M40.3Very low47.8Very low166 Ų166140.1 Ų140.182%0.81876%0.764SS**  trans-116.8114.7174.1-73.6-69.7-75.200109.7T108T108-M110 PolarHBondContact O-N 3.49Å
111Q48.2Very low46.8Very low176 Ų176137.3 Ų137.382%0.82277%0.769SS**  trans-81147.8172.5-70.7-164.7-12.200111V113Q111-V113 PolarHBondContact O-N 3.35Å; Q111-V113 VanDerWaalsContact O-N 3.13Å
112P44.2Very low45.7Very low119 Ų119140.9 Ų140.977%0.77379%0.789SS**  trans-73.8102.117330.2-33.1000110.5Q114P112-Q114 PolarHBondContact O-N 3.34Å
113V44.3Very low44.6Very low127 Ų127137 Ų13777%0.7779%0.792SS**  trans-69.3122.5169.3175.70000109.2Q111 T115Q111-V113 PolarHBondContact O-N 3.35Å; Q111-V113 VanDerWaalsContact O-N 3.13Å; V113-T115 PolarHBondContact O-N 3.42Å
114Q45.9Very low43.7Very low162 Ų162134.5 Ų134.576%0.75780%0.797SS**  trans-71.5115.1172.8-67-70.4100109.7P112P112-Q114 PolarHBondContact O-N 3.34Å
115T46.1Very low43.1Very low123 Ų123134.4 Ų134.476%0.75581%0.809SS**PPolyproline II helixtrans-92.9124.1173.6-80.80000110.2V113V113-T115 PolarHBondContact O-N 3.42Å
116F42.8Very low42.4Very low178 Ų178133.3 Ų133.378%0.78182%0.819SS**PPolyproline II helixtrans-79.4136.3170.8-67.9-96.9000110.3
117P50.1Low41.7Very low128 Ų128130.5 Ų130.583%0.83181%0.814SS**PPolyproline II helixtrans-76.6122.7169.930.5-32000110.6
118V45.7Very low41.1Very low143 Ų143136.4 Ų136.487%0.86783%0.831SS**PPolyproline II helixtrans-94.9139.2168.5174.60000109.4
119S40.6Very low40.8Very low110 Ų110135.7 Ų135.777%0.76983%0.831SS**PPolyproline II helixtrans-100.2127.9-166.955.90000114.9
120Q35.1Very low40.2Very low202 Ų202139 Ų13994%0.94483%0.828SS**  trans-148.4147.8152.6-64.4-171.6-12.900107.4
121G38.1Very low40.1Very low66 Ų66135.8 Ų135.868%0.6882%0.817SS**  cis162.4160.8-500000110.7
122L35.6Very low39.9Very low193 Ų193133.1 Ų133.1100%1.0182%0.816SS**  trans84.3136.9177.1-54.2159.7000117.6
123G31.3Very low39.7Very low78 Ų78137.3 Ų137.380%0.80482%0.817SS**  trans144.696.8175.400000112.9
124S37Very low39.6Very low127 Ų127137.7 Ų137.789%0.88881%0.814SS**  trans-98.9132.7-166.5-50.40000115.1
125S36.2Very low39.5Very low126 Ų126136 Ų13688%0.88182%0.815SS**  trans-167154.2147.152.20000111.2
126A33.9Very low40.1Very low109 Ų109135.2 Ų135.290%0.90181%0.812SS**  trans-99.6156.1-173.800000113.5
127G34Very low40Very low70 Ų70135.7 Ų135.772%0.72282%0.819SS**  trans171.488.3171.800000117.4
128L39.5Very low39.3Very low185 Ų185133.5 Ų133.597%0.96981%0.807SS**  trans63146.8151.4-55.3179.4000120.9
129S37.3Very low38.9Very low112 Ų112134.9 Ų134.978%0.78380%0.804SS**  trans-99.1145.2-169.852.30000114.8
130Y37.9Very low38.7Very low220 Ų220135.3 Ų135.386%0.86381%0.807SS**  trans-149.1163.6134.7-152.5-102.8000111.1
131T38Very low38.9Very low97 Ų97134.2 Ų134.260%0.59580%0.804SS**  trans-95.5142.1-163.3470000115.1
132P44.8Very low38.7Very low121 Ų121134.3 Ų134.379%0.78681%0.805SS**  trans-93.8154.4160.736.3-31.5000111.7
133Y39.4Very low38.9Very low206 Ų206132 Ų13281%0.80879%0.793SS**  trans-108.2136.2173.4-99.2-108.7000111.6
134L43Very low39.4Very low135 Ų135134.9 Ų134.971%0.70780%0.795SS**  trans14.7120.3166.1-67.984.9000118.6
135T43.8Very low39.8Very low127 Ų127134 Ų13478%0.77979%0.786SS**  69.515857.481.40000113.4
136P57.7Low39.6Very low107 Ų107134.1 Ų134.170%0.69578%0.781SS**  -131.4-170.2-106.533.8-10.8000113.9
137M40.2Very low39.6Very low187 Ų187135.9 Ų135.992%0.92178%0.775SS**  trans-175.2168.8137.5-99.8155.1-156.300113.1
138S35.4Very low39.5Very low83 Ų83139.8 Ų139.858%0.5878%0.778SS**  trans-157.5169.6-158.448.70000114.3
139H38.9Very low39.3Very low171 Ų171138.4 Ų138.479%0.79277%0.771SS**  trans72.6158.6174.6-35.8-73.5000114.9
140S35.2Very low39.9Very low119 Ų119138.4 Ų138.483%0.83277%0.768SS**  cis-146.41698.9-41.30000113.1
141M38.9Very low39.4Very low179 Ų179132.9 Ų132.988%0.88276%0.762SS**  trans-71.7154.9172.6-162.778141.300113.2
142G34.2Very low39.5Very low68 Ų68134.9 Ų134.970%0.70177%0.774SS**  trans-168.5150.7168.400000112.2
143L39.8Very low39.7Very low146 Ų146134.7 Ų134.776%0.76477%0.773SS**  trans-136.8164.6-173-65.4171.6000112.2
144V42.9Very low39.7Very low138 Ų138131.2 Ų131.284%0.83677%0.773SS**  trans63.9163.7164.2-57.80000118.4
145P45.7Very low39.5Very low109 Ų109132.3 Ų132.371%0.70878%0.778SS**  cis-134.8161.7-41.332.5-14.4000116.2
146T30.3Very low39.5Very low127 Ų127132.6 Ų132.678%0.77978%0.779SS**  trans35.8136.5143.4-310000124.7
147D33.9Very low38.7Very low146 Ų146133.5 Ų133.578%0.78179%0.785SS**  trans109.3164.9138.9-125-75.2000121.1
148I33.3Very low38.2Very low152 Ų152127.6 Ų127.678%0.77977%0.772SS**  trans81.684.4177.4-46.7-179.4000117.2
149L34.3Very low38.4Very low157 Ų157129 Ų12982%0.82278%0.782SS**  trans-80.8173.7141.6-81.7170.1000109.4
150P49.3Very low38.7Very low111 Ų111126.7 Ų126.772%0.72178%0.782SS**  cis-139.1169.914.142.5-25.7000117.2
151S29Very low39Very low105 Ų105126.6 Ų126.673%0.73478%0.778SS**  179.7115.6125.2-80.20000113.6
152T40.2Very low39.2Very low139 Ų139124.5 Ų124.585%0.85378%0.775SS**  trans35.4153.6146.439.30000124.4
153P49.2Very low39.3Very low116 Ų116126.3 Ų126.375%0.75378%0.777SS**  trans-115.7152.9-157.540.6-29.5000116.4
154V38.6Very low39.3Very low134 Ų134125.7 Ų125.781%0.81278%0.78SS**  trans-142.8109171179.40000112.7
155I38.9Very low39.1Very low158 Ų158125.8 Ų125.881%0.8178%0.781SS**  trans56.6143.8145.2-74.1163.1000121.9
156V43.7Very low38.7Very low133 Ų133125.1 Ų125.181%0.80678%0.784SS**  trans-115.8130.3178.9166.80000109.2
157P40.1Very low39Very low125 Ų125122.5 Ų122.581%0.81278%0.783SS**  -147.3160.6108.437.7-22000114.2
158G30.6Very low39.2Very low63 Ų63121.3 Ų121.365%0.64979%0.786SS**  cis174.1165.9-3.700000111.6
159S38.7Very low39.3Very low114 Ų114118.7 Ų118.780%0.79778%0.781SS**  trans-149.1146172.3-75.70000110P161S159-P161 WeakPolarHBondContact O-CD 3.43Å
160P45.4Very low39.8Very low122 Ų122117 Ų11779%0.79278%0.782SS**PPolyproline II helixtrans-79.8126.7-159.428.9-35.2000114
161P41.8Very low39.4Very low116 Ų116119.2 Ų119.275%0.75379%0.788SS**PPolyproline II helixtrans-76.8143.8163.132.4-32.9000110.7S159 S163S159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-S163 PolarHBondContact O-N 3.35Å
162V43.9Very low40.2Very low135 Ų135118.9 Ų118.982%0.81878%0.775SS**PPolyproline II helixtrans-78.8117175.3179.40000109.9V164V162-V164 PolarHBondContact O-N 3.36Å
163S35.5Very low40.4Very low106 Ų106117.5 Ų117.574%0.74176%0.757SS**PPolyproline II helixtrans-66.4117.1-179.7-58.80000112.8P161P161-S163 PolarHBondContact O-N 3.35Å
164V40.2Very low40.4Very low134 Ų134118.7 Ų118.781%0.81276%0.756SS**  trans-105.994.7166.1-76.60000110.4V162 A166V162-V164 PolarHBondContact O-N 3.36Å; V164-A166 PolarHBondContact O-N 3.48Å
165T37.4Very low41.1Very low140 Ų140117.8 Ų117.886%0.85975%0.746SS**  trans-73.591-177.9-37.40000111.2G167T165-G167 PolarHBondContact O-N 3.27Å
166A38.7Very low42.1Very low94 Ų94120.1 Ų120.178%0.77775%0.745SS**  trans-76.589.2-179.600000112.4V164 S168V164-A166 PolarHBondContact O-N 3.48Å; A166-S168 PolarHBondContact O-N 2.93Å
167G35.4Very low43.2Very low73 Ų73114.8 Ų114.875%0.75372%0.715SS**  trans-73.4111.6170.600000112.1T165 S169T165-G167 PolarHBondContact O-N 3.27Å; G167-S169 PolarHBondContact O-N 3.11Å
168S38.3Very low45.1Very low121 Ų121110.8 Ų110.885%0.84669%0.686SS**  trans-69122.7-179.3-670000113.2A166A166-S168 PolarHBondContact O-N 2.93Å
169S36.3Very low47.7Very low97 Ų97111.9 Ų111.968%0.67867%0.673SS**  trans-157.395.1167.1-80.50000111.2G167 N171G167-S169 PolarHBondContact O-N 3.11Å; S169-N171 PolarHBondContact O-N 3.34Å
170S44.8Very low50Low121 Ų121106.9 Ų106.985%0.84664%0.638SS**THydrogen-bonded Turntrans-82.665.2-164.840.70000114.8
171N40.5Very low52.1Low158 Ų158105.3 Ų105.385%0.84562%0.62SS**THydrogen-bonded Turntrans-158.2-5.5156.9-119.3-92.2000115.6S169 K173S169-N171 PolarHBondContact O-N 3.34Å; N171-K173 VanDerWaalsContact C-N 3.29Å; N171-K173 PolarHBondContact O-N 3.14Å
172Q45.9Very low54.4Low97 Ų9799.9 Ų99.945%0.45359%0.585SS.*  trans-77.716.9-164.4-72.7-71.60.400117.3L174Q172-L174 PolarHBondContact O-N 3.3Å
173K44.5Very low56.6Low111 Ų11193.5 Ų93.548%0.48355%0.546SS..THydrogen-bonded Turntrans-75.5-12.4-163.9-158.6174.1174.4-178.10116N171 T255N171-K173 VanDerWaalsContact C-N 3.29Å; N171-K173 PolarHBondContact O-N 3.14Å; K173-T255 PolarHBondContact NZ-O 2.9Å
174L49Very low59.1Low140 Ų14095.6 Ų95.673%0.73354%0.537SS*.THydrogen-bonded Turntrans-115.2-31176.6-89.6165.5000114.5Q172 R176Q172-L174 PolarHBondContact O-N 3.3Å; L174-R176 VanDerWaalsContact C-N 3.3Å; L174-R176 PolarHBondContact O-N 3.47Å
175L52.3Low61.4Low116 Ų11692.6 Ų92.661%0.60751%0.514SS*.G310 helixtrans-71.7-22.8-174.5-60.8173.2000113.3A177 D178L175-A177 VanDerWaalsContact C-N 3.26Å; L175-A177 PolarHBondContact O-N 3.4Å; L175-D178 VanDerWaalsContact O-CB 3.32Å; L175-D178 WeakPolarHBondContact O-CB 3.48Å; L175-D178 PolarHBondContact O-N 3.09Å
176R60.7Low63.8Low206 Ų20689.5 Ų89.578%0.77749%0.489SS*.G310 helixtrans-72.4-11.3-170.9-134.2178.8-171.4129.66.6115.6L174L174-R176 VanDerWaalsContact C-N 3.3Å; L174-R176 PolarHBondContact O-N 3.47Å
177A66.8Low66.1Low21 Ų2189.3 Ų89.317%0.17447%0.472CS..G310 helixtrans-88.2-3175.300000113.8L175 Q249L175-A177 VanDerWaalsContact C-N 3.26Å; L175-A177 PolarHBondContact O-N 3.4Å; A177-Q249 HydrophobicContact CB-CG 3.82Å
178D79.8Confident68.5Low41 Ų4195 Ų9522%0.21947%0.471CS..SBendtrans-91.3-19.9-177.1-172.8-131.9000113.7L175 T217 V218 M220L175-D178 VanDerWaalsContact O-CB 3.32Å; L175-D178 WeakPolarHBondContact O-CB 3.48Å; L175-D178 PolarHBondContact O-N 3.09Å; D178-T217 WeakPolarHBondContact OD1-CG2 3.45Å; D178-V218 WeakPolarHBondContact O-CB 3.4Å; D178-V218 WeakPolarHBondContact O-CG2 3.34Å; D178-V218 PolarHBondContact O-N 2.77Å; D178-M220 VanDerWaalsContact OD2-CE 3.27Å; D178-M220 WeakPolarHBondContact OD2-CE 3.43Å; D178-M220 WeakPolarHBondContact OD2-CG 3.44Å
179K85.3Confident70.7Confident87 Ų8792.4 Ų92.438%0.37846%0.464SS..EExtended strand (participates in β ladder)trans-99.5127.2-179.2-77176.5164.8-73.20111D210 T215 V216K179-D210 IonicContact NZ-OD2 2.69Å; K179-D210 PolarHBondContact NZ-OD2 3.25Å; K179-T215 HydrophobicContact CB-CG2 4.27Å; K179-T215 PolarHBondContact NZ-OG1 3.1Å; K179-T215 VanDerWaalsContact NZ-OG1 3.08Å; K179-V216 WeakPolarHBondContact CA-O 3.45Å
180L87.7Confident73.2Confident9 Ų993.6 Ų93.65%0.04746%0.462CS..EExtended strand (participates in β ladder)trans-103.1135.1168.5-86.2174.7000110.1A201 T215 V216 V218 F235 P237 L241 I245L180-A201 HydrophobicContact CB-CB 4.11Å; L180-A201 HydrophobicContact CD1-CB 4.26Å; L180-T215 CarbonylContact O-C 3.48Å; L180-T215 VanDerWaalsContact O-CA 3.23Å; L180-T215 WeakPolarHBondContact O-CA 3.27Å; L180-T215 WeakPolarHBondContact O-CB 3.49Å; L180-V216 HydrophobicContact CB-CG2 3.95Å; L180-V216 PolarHBondContact N-O 3.03Å; L180-V216 PolarHBondContact O-N 3.46Å; L180-V218 HydrophobicContact CB-CG2 4.23Å; L180-V218 HydrophobicContact CD1-CG2 3.79Å; L180-V218 HydrophobicContact CG-CG2 3.87Å; L180-F235 HydrophobicContact CD1-CD1 4.33Å; L180-F235 HydrophobicContact CD1-CE1 4.27Å; L180-P237 HydrophobicContact CD1-CB 3.94Å; L180-P237 HydrophobicContact CD1-CG 4.45Å; L180-L241 HydrophobicContact CD1-CB 4.22Å; L180-L241 HydrophobicContact CD1-CD1 4.12Å; L180-I245 HydrophobicContact CD1-CD1 3.89Å; L180-I245 HydrophobicContact CD2-CD1 4.41Å; L180-I245 HydrophobicContact CD2-CG1 4.38Å; L180-I245 HydrophobicContact CG-CD1 4.08Å; L180-I245 HydrophobicContact CG-CG1 4.46Å
181E89Confident75.3Confident89 Ų8988.9 Ų88.942%0.41643%0.429SS..EExtended strand (participates in β ladder)trans-72138169.5-176.7179.3-173.700110.9F200 A201E181-F200 HydrophobicContact CB-CD1 4.09Å; E181-F200 HydrophobicContact CG-CD1 3.98Å; E181-F200 HydrophobicContact CG-CE1 4.27Å; E181-F200 WeakPolarHBondContact O-CB 2.92Å; E181-F200 WeakPolarHBondContact OE2-CE1 3.15Å; E181-A201 PolarHBondContact O-N 3.33Å
182V89.9Confident77.4Confident2 Ų286.4 Ų86.41%0.01243%0.431CS..BIsolated β-bridgetrans-83.3141.8-179.9175.10000111.1R184 A201 P203 I209 N214 V216V182-R184 PolarHBondContact O-N 3Å; V182-R184 VanDerWaalsContact O-N 3.1Å; V182-A201 WeakPolarHBondContact CA-O 3.27Å; V182-P203 HydrophobicContact CG1-CG 3.91Å; V182-P203 HydrophobicContact CG2-CG 3.88Å; V182-I209 HydrophobicContact CG1-CD1 4.45Å; V182-I209 HydrophobicContact CG2-CG1 4.28Å; V182-I209 HydrophobicContact CG2-CG2 4.18Å; V182-N214 WeakPolarHBondContact CB-O 3.21Å; V182-N214 WeakPolarHBondContact CG2-O 3.44Å; V182-N214 PolarHBondContact N-O 3.27Å; V182-V216 HydrophobicContact CG2-CB 4.45Å; V182-V216 HydrophobicContact CG2-CG1 3.62Å; V182-V216 HydrophobicContact CG2-CG2 4.29Å
183C89.7Confident79.2Confident0 Ų087.2 Ų87.20%043%0.43CS..  trans-66.7110.7177.4-173.90000111.1E185 F186 Q187 C198 F200 A201 H202C183-E185 PolarHBondContact O-N 3.44Å; C183-F186 HydrophobicContact CB-CB 3.71Å; C183-F186 WeakPolarHBondContact O-CB 3.34Å; C183-F186 PolarHBondContact O-N 3.37Å; C183-Q187 PolarHBondContact O-N 2.91Å; C183-C198 VanDerWaalsContact SG-SG 3.6Å; C183-F200 HydrophobicContact CB-CB 3.74Å; C183-A201 PolarHBondContact N-O 2.9Å; C183-H202 WeakPolarHBondContact CB-CD2 3.45Å; C183-H202 VanDerWaalsContact CB-NE2 3.34Å; C183-H202 WeakPolarHBondContact CB-NE2 3.49Å
184R88.6Confident80.3Confident150 Ų15083.8 Ų83.857%0.56643%0.426SS*.THydrogen-bonded Turntrans-61.4-30177.1-73.6-178.9167.1168.1-1.4113.2V182 R188 N214V182-R184 PolarHBondContact O-N 3Å; V182-R184 VanDerWaalsContact O-N 3.1Å; R184-R188 WeakPolarHBondContact O-CG 2.93Å; R184-R188 PolarHBondContact O-N 2.96Å; R184-N214 PolarHBondContact NE-OD1 3.43Å; R184-N214 PolarHBondContact NH2-OD1 3.05Å
185E89.3Confident81.4Confident71 Ų7181.8 Ų81.833%0.33241%0.413SS..THydrogen-bonded Turntrans-70.7-34.7173.5-63.8163.463.300111.9C183 R188 G189 N190 C191 R193C183-E185 PolarHBondContact O-N 3.44Å; E185-R188 PolarHBondContact O-N 3.34Å; E185-G189 PolarHBondContact O-N 3.33Å; E185-G189 VanDerWaalsContact O-N 3.14Å; E185-N190 PolarHBondContact O-N 3.27Å; E185-C191 HydrophobicContact CB-CB 3.66Å; E185-C191 PolarHBondContact O-N 3.02Å; E185-R193 IonicContact OE1-CZ 2.77Å; E185-R193 IonicContact OE1-NH2 3.59Å; E185-R193 PolarHBondContact OE1-NH2 3.14Å; E185-R193 IonicContact OE2-CZ 3.67Å; E185-R193 IonicContact OE2-NH1 2.67Å; E185-R193 IonicContact OE2-NH2 2.66Å; E185-R193 PolarHBondContact OE2-NH2 3.03Å
186F87.5Confident82.3Confident76 Ų7680.6 Ų80.633%0.33341%0.41SS..THydrogen-bonded Turntrans-70.9-41.8176.6-177.9-103.2000110.3C183 R188 G189 C191 H202C183-F186 HydrophobicContact CB-CB 3.71Å; C183-F186 WeakPolarHBondContact O-CB 3.34Å; C183-F186 PolarHBondContact O-N 3.37Å; F186-R188 PolarHBondContact O-N 3.43Å; F186-R188 VanDerWaalsContact O-N 3.13Å; F186-G189 PolarHBondContact O-N 3.21Å; F186-C191 HydrophobicContact CB-CB 4.02Å; F186-H202 HydrophobicContact CD1-CB 4.04Å; F186-H202 HydrophobicContact CD2-CB 4.15Å; F186-H202 AromaticContact CD2-CE1 3.73Å; F186-H202 AromaticContact CD2-CG 3.67Å; F186-H202 AromaticContact CD2-ND1 3.37Å; F186-H202 WeakPolarHBondContact CD2-ND1 3.26Å; F186-H202 HydrophobicContact CE1-CB 4Å; F186-H202 HydrophobicContact CE2-CB 4.12Å; F186-H202 AromaticContact CE2-ND1 3.79Å; F186-H202 HydrophobicContact CG-CB 4.11Å; F186-H202 AromaticContact CG-CD2 3.86Å; F186-H202 AromaticContact CG-CG 3.69Å; F186-H202 AromaticContact CG-ND1 3.85Å; F186-H202 HydrophobicContact CZ-CB 4.04Å
187Q86.8Confident83.3Confident89 Ų8976.4 Ų76.442%0.41640%0.403SS..THydrogen-bonded Turntrans-63.6-14.3172.1-159.3179.332.900113.4C183C183-Q187 PolarHBondContact O-N 2.91Å
188R86.5Confident84.2Confident192 Ų19275.4 Ų75.473%0.72540%0.395SS*.THydrogen-bonded Turntrans-96.6-11.6171.1-70.3-81.5-171-870.7113.6R184 E185 F186 N190R184-R188 WeakPolarHBondContact O-CG 2.93Å; R184-R188 PolarHBondContact O-N 2.96Å; E185-R188 PolarHBondContact O-N 3.34Å; F186-R188 PolarHBondContact O-N 3.43Å; F186-R188 VanDerWaalsContact O-N 3.13Å; R188-N190 PolarHBondContact O-OD1 3.35Å
189G84.5Confident84.4Confident68 Ų6880.5 Ų80.570%0.70141%0.411SS*.THydrogen-bonded Turntrans80.48.9-171.700000115.2E185 F186E185-G189 PolarHBondContact O-N 3.33Å; E185-G189 VanDerWaalsContact O-N 3.14Å; F186-G189 PolarHBondContact O-N 3.21Å
190N88.6Confident84.5Confident121 Ų12179.2 Ų79.265%0.64741%0.406SS*.  trans-104.8-2.9-173.9-69.3106.1000115E185 R188 A192E185-N190 PolarHBondContact O-N 3.27Å; R188-N190 PolarHBondContact O-OD1 3.35Å; N190-A192 PolarHBondContact O-N 3.26Å
191C87.6Confident84.5Confident22 Ų2278.8 Ų78.815%0.14940%0.404CS..  trans-77.996.1-176.9-155.90000112.3E185 F186 R193E185-C191 HydrophobicContact CB-CB 3.66Å; E185-C191 PolarHBondContact O-N 3.02Å; F186-C191 HydrophobicContact CB-CB 4.02Å; C191-R193 PolarHBondContact O-N 2.69Å
192A85.2Confident84.4Confident106 Ų10675.2 Ų75.288%0.87639%0.387SS*.  trans-75.3-2.1172.200000114.1N190N190-A192 PolarHBondContact O-N 3.26Å
193R83.4Confident84.1Confident114 Ų11475.5 Ų75.543%0.4339%0.389SS..SBendtrans-82.8121.7173.7-78.3168.8-88.3163.6-4.5109.1E185 C191 C198 H202E185-R193 IonicContact OE1-CZ 2.77Å; E185-R193 IonicContact OE1-NH2 3.59Å; E185-R193 PolarHBondContact OE1-NH2 3.14Å; E185-R193 IonicContact OE2-CZ 3.67Å; E185-R193 IonicContact OE2-NH1 2.67Å; E185-R193 IonicContact OE2-NH2 2.66Å; E185-R193 PolarHBondContact OE2-NH2 3.03Å; C191-R193 PolarHBondContact O-N 2.69Å; R193-C198 HydrophobicContact CB-CB 4.39Å; R193-H202 PolarHBondContact O-CE1 3.25Å
194G69.1Low83.3Confident39 Ų3981 Ų8140%0.40243%0.427SS..  trans-58.2158.5-179.400000113.2T196 D197 C198G194-T196 PolarHBondContact O-N 3.39Å; G194-T196 VanDerWaalsContact O-N 3.11Å; G194-D197 PolarHBondContact O-N 3.35Å; G194-C198 PolarHBondContact O-N 3.47Å
195E71.6Confident82.5Confident99 Ų9978.1 Ų78.146%0.46342%0.423SS..THydrogen-bonded Turntrans-56.2-27.6-180173172.9-162.900113.4P238E195-P238 HydrophobicContact CG-CB 4.38Å; E195-P238 HydrophobicContact CG-CG 3.35Å; E195-P238 WeakPolarHBondContact OE1-CG 3.44Å
196T71.4Confident81.1Confident90 Ų9078.8 Ų78.855%0.55244%0.436SS*.THydrogen-bonded Turntrans-68.4-37173.139.30000113.8G194 H240G194-T196 PolarHBondContact O-N 3.39Å; G194-T196 VanDerWaalsContact O-N 3.11Å; T196-H240 VanDerWaalsContact O-CB 3.31Å; T196-H240 WeakPolarHBondContact O-CB 3.43Å; T196-H240 PolarHBondContact O-ND1 3.17Å
197D80.5Confident80Confident118 Ų11880.5 Ų80.563%0.63145%0.454SS*.THydrogen-bonded Turntrans-111.2-12.8-163.7-63.3-85.7000113.3G194G194-D197 PolarHBondContact O-N 3.35Å
198C86.9Confident79Confident0 Ų078.6 Ų78.60%045%0.446CS..  trans-66.4146.8174.4-164.60000112.2C183 R193 G194 F200 H202 H240C183-C198 VanDerWaalsContact SG-SG 3.6Å; R193-C198 HydrophobicContact CB-CB 4.39Å; G194-C198 PolarHBondContact O-N 3.47Å; C198-F200 VanDerWaalsContact C-N 3.3Å; C198-F200 PolarHBondContact O-N 2.92Å; C198-H202 WeakPolarHBondContact CB-NE2 3.27Å; C198-H202 PolarHBondContact SG-NE2 2.96Å; C198-H240 PolarHBondContact O-CE1 3.37Å; C198-H240 PolarHBondContact O-ND1 2.92Å
199R83.9Confident78.7Confident148 Ų14870.8 Ų70.856%0.55842%0.418SS*.SBendtrans-78.6-15.3-178.7-173.656.1172-170.7-4.7113.4K244R199-K244 PolarHBondContact O-NZ 3.04Å
200F87.2Confident78.6Confident61 Ų6170.4 Ų70.427%0.26840%0.4SS..SBendtrans-128.4162.4-169.8-55.8-77.9000110E181 C183 C198E181-F200 HydrophobicContact CB-CD1 4.09Å; E181-F200 HydrophobicContact CG-CD1 3.98Å; E181-F200 HydrophobicContact CG-CE1 4.27Å; E181-F200 WeakPolarHBondContact O-CB 2.92Å; E181-F200 WeakPolarHBondContact OE2-CE1 3.15Å; C183-F200 HydrophobicContact CB-CB 3.74Å; C198-F200 VanDerWaalsContact C-N 3.3Å; C198-F200 PolarHBondContact O-N 2.92Å
201A87.3Confident78.3Confident0 Ų070.8 Ų70.80%041%0.407CS..BIsolated β-bridgetrans-72.3141.6-17900000112.4L180 E181 V182 C183 P203 V216 F235 L241L180-A201 HydrophobicContact CB-CB 4.11Å; L180-A201 HydrophobicContact CD1-CB 4.26Å; E181-A201 PolarHBondContact O-N 3.33Å; V182-A201 WeakPolarHBondContact CA-O 3.27Å; C183-A201 PolarHBondContact N-O 2.9Å; A201-P203 VanDerWaalsContact C-CD 3.45Å; A201-P203 VanDerWaalsContact O-CD 3.23Å; A201-P203 WeakPolarHBondContact O-CD 3.39Å; A201-V216 HydrophobicContact CB-CG2 3.73Å; A201-F235 HydrophobicContact CB-CE1 3.89Å; A201-F235 HydrophobicContact CB-CZ 4.31Å; A201-L241 HydrophobicContact CB-CD1 4.42Å
202H86.5Confident77.9Confident14 Ų1474.2 Ų74.27%0.06543%0.431CS..  trans-11080.9170.5-73.3-163.2000109.2C183 F186 R193 C198 S204C183-H202 WeakPolarHBondContact CB-CD2 3.45Å; C183-H202 VanDerWaalsContact CB-NE2 3.34Å; C183-H202 WeakPolarHBondContact CB-NE2 3.49Å; F186-H202 HydrophobicContact CD1-CB 4.04Å; F186-H202 HydrophobicContact CD2-CB 4.15Å; F186-H202 AromaticContact CD2-CE1 3.73Å; F186-H202 AromaticContact CD2-CG 3.67Å; F186-H202 AromaticContact CD2-ND1 3.37Å; F186-H202 WeakPolarHBondContact CD2-ND1 3.26Å; F186-H202 HydrophobicContact CE1-CB 4Å; F186-H202 HydrophobicContact CE2-CB 4.12Å; F186-H202 AromaticContact CE2-ND1 3.79Å; F186-H202 HydrophobicContact CG-CB 4.11Å; F186-H202 AromaticContact CG-CD2 3.86Å; F186-H202 AromaticContact CG-CG 3.69Å; F186-H202 AromaticContact CG-ND1 3.85Å; F186-H202 HydrophobicContact CZ-CB 4.04Å; R193-H202 PolarHBondContact O-CE1 3.25Å; C198-H202 WeakPolarHBondContact CB-NE2 3.27Å; C198-H202 PolarHBondContact SG-NE2 2.96Å; H202-S204 PolarHBondContact O-N 2.96Å
203P83.5Confident77.7Confident8 Ų874.1 Ų74.15%0.05242%0.416CS..  trans-74.7111.8175.830.7-33.6000110.4V182 A201 D205 I209 V216V182-P203 HydrophobicContact CG1-CG 3.91Å; V182-P203 HydrophobicContact CG2-CG 3.88Å; A201-P203 VanDerWaalsContact C-CD 3.45Å; A201-P203 VanDerWaalsContact O-CD 3.23Å; A201-P203 WeakPolarHBondContact O-CD 3.39Å; P203-D205 PolarHBondContact O-N 3.37Å; P203-I209 HydrophobicContact CB-CG1 4.42Å; P203-I209 HydrophobicContact CG-CD1 3.8Å; P203-I209 HydrophobicContact CG-CG1 3.81Å; P203-V216 HydrophobicContact CB-CG1 3.97Å; P203-V216 HydrophobicContact CG-CG1 3.92Å
204S73.3Confident77.7Confident114 Ų11470.1 Ų70.180%0.79740%0.403SS*.SBendtrans-66.6-19.7172.6-530000113.3H202H202-S204 PolarHBondContact O-N 2.96Å
205D71.3Confident78.6Confident90 Ų9069.1 Ų69.148%0.48139%0.389SS..SBendtrans-106103177.7-167.1-122.7000110.5P203 P207 M208P203-D205 PolarHBondContact O-N 3.37Å; D205-P207 VanDerWaalsContact C-CD 3.44Å; D205-P207 WeakPolarHBondContact OD1-CG 3.38Å; D205-M208 HydrophobicContact CB-CG 4.07Å; D205-M208 HydrophobicContact CB-SD 4.19Å; D205-M208 PolarHBondContact O-N 3.45Å; D205-M208 WeakPolarHBondContact OD1-CG 3.49Å
206S60.5Low79.3Confident86 Ų8664.5 Ų64.560%0.60137%0.368SS*.G310 helixtrans-56.9-39-176.4-164.10000115.7M208 I209S206-M208 PolarHBondContact O-N 3.33Å; S206-I209 WeakPolarHBondContact O-CB 3.15Å; S206-I209 VanDerWaalsContact O-CG1 3.32Å; S206-I209 WeakPolarHBondContact O-CG1 3.34Å; S206-I209 PolarHBondContact O-N 2.86Å; S206-I209 VanDerWaalsContact O-N 3.14Å
207P64Low80.2Confident111 Ų11162.3 Ų62.372%0.72135%0.354SS*.G310 helixtrans-71.70.5-178.730.1-36000114.6D205 I209D205-P207 VanDerWaalsContact C-CD 3.44Å; D205-P207 WeakPolarHBondContact OD1-CG 3.38Å; P207-I209 VanDerWaalsContact C-N 3.31Å
208M67.4Low80.7Confident49 Ų4956.9 Ų56.924%0.24133%0.325CS..G310 helixtrans-82.2-6.3169.4-52.7-16793.600113.7D205 S206 K233D205-M208 HydrophobicContact CB-CG 4.07Å; D205-M208 HydrophobicContact CB-SD 4.19Å; D205-M208 PolarHBondContact O-N 3.45Å; D205-M208 WeakPolarHBondContact OD1-CG 3.49Å; S206-M208 PolarHBondContact O-N 3.33Å; M208-K233 VanDerWaalsContact CE-C 3.48Å; M208-K233 WeakPolarHBondContact CE-O 3.16Å
209I80.1Confident80.8Confident28 Ų2857.1 Ų57.114%0.14433%0.327CS..EExtended strand (participates in β ladder)trans-91.2129.1-173.7-53.1171000111.1V182 P203 S206 P207 T211 V216V182-I209 HydrophobicContact CG1-CD1 4.45Å; V182-I209 HydrophobicContact CG2-CG1 4.28Å; V182-I209 HydrophobicContact CG2-CG2 4.18Å; P203-I209 HydrophobicContact CB-CG1 4.42Å; P203-I209 HydrophobicContact CG-CD1 3.8Å; P203-I209 HydrophobicContact CG-CG1 3.81Å; S206-I209 WeakPolarHBondContact O-CB 3.15Å; S206-I209 VanDerWaalsContact O-CG1 3.32Å; S206-I209 WeakPolarHBondContact O-CG1 3.34Å; S206-I209 PolarHBondContact O-N 2.86Å; S206-I209 VanDerWaalsContact O-N 3.14Å; P207-I209 VanDerWaalsContact C-N 3.31Å; I209-T211 PolarHBondContact O-N 2.97Å; I209-V216 HydrophobicContact CG1-CG1 3.97Å
210D82.5Confident81.1Confident61 Ų6151.9 Ų51.933%0.32631%0.309SS..EExtended strand (participates in β ladder)trans-82.9107.1174-159.5-5.5000110.1K179 S212 D213 N214 T215K179-D210 IonicContact NZ-OD2 2.69Å; K179-D210 PolarHBondContact NZ-OD2 3.25Å; D210-S212 VanDerWaalsContact C-N 3.29Å; D210-S212 PolarHBondContact O-N 3.15Å; D210-S212 PolarHBondContact OD1-OG 3.32Å; D210-D213 PolarHBondContact O-N 3Å; D210-N214 WeakPolarHBondContact O-CA 3.49Å; D210-N214 PolarHBondContact O-N 3.07Å; D210-T215 WeakPolarHBondContact CB-O 3.13Å; D210-T215 PolarHBondContact N-O 3.24Å; D210-T215 PolarHBondContact O-N 3.43Å
211T80.4Confident81.3Confident128 Ų12852.4 Ų52.479%0.78532%0.315SS*.THydrogen-bonded Turntrans-66.8-23.7-170.2-56.30000113.8I209I209-T211 PolarHBondContact O-N 2.97Å
212S80.3Confident81.5Confident95 Ų9555.9 Ų55.966%0.66433%0.329SS*.THydrogen-bonded Turntrans-69-33.3178.256.10000113.4D210D210-S212 VanDerWaalsContact C-N 3.29Å; D210-S212 PolarHBondContact O-N 3.15Å; D210-S212 PolarHBondContact OD1-OG 3.32Å
213D80Confident81.6Confident103 Ų10355.5 Ų55.555%0.55133%0.327SS*.THydrogen-bonded Turntrans-125.7-1-168.2-69.3-101.6000113.6D210 T215D210-D213 PolarHBondContact O-N 3Å; D213-T215 HydrophobicContact CB-CG2 4.05Å; D213-T215 PolarHBondContact O-N 2.97Å
214N84.4Confident81.8Confident31 Ų3160.3 Ų60.317%0.16635%0.347CS..THydrogen-bonded Turntrans52.235.2-168.5-65.3127000113.2V182 R184 D210V182-N214 WeakPolarHBondContact CB-O 3.21Å; V182-N214 WeakPolarHBondContact CG2-O 3.44Å; V182-N214 PolarHBondContact N-O 3.27Å; R184-N214 PolarHBondContact NE-OD1 3.43Å; R184-N214 PolarHBondContact NH2-OD1 3.05Å; D210-N214 WeakPolarHBondContact O-CA 3.49Å; D210-N214 PolarHBondContact O-N 3.07Å
215T86.8Confident82.5Confident18 Ų1859.7 Ų59.711%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-108.6148.7-17960.20000113.3K179 L180 D210 D213K179-T215 HydrophobicContact CB-CG2 4.27Å; K179-T215 PolarHBondContact NZ-OG1 3.1Å; K179-T215 VanDerWaalsContact NZ-OG1 3.08Å; L180-T215 CarbonylContact O-C 3.48Å; L180-T215 VanDerWaalsContact O-CA 3.23Å; L180-T215 WeakPolarHBondContact O-CA 3.27Å; L180-T215 WeakPolarHBondContact O-CB 3.49Å; D210-T215 WeakPolarHBondContact CB-O 3.13Å; D210-T215 PolarHBondContact N-O 3.24Å; D210-T215 PolarHBondContact O-N 3.43Å; D213-T215 HydrophobicContact CB-CG2 4.05Å; D213-T215 PolarHBondContact O-N 2.97Å
216V88.3Confident83.3Confident1 Ų165 Ų651%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-107.5142.7165.8-70.50000110.2K179 L180 V182 A201 P203 I209 F235K179-V216 WeakPolarHBondContact CA-O 3.45Å; L180-V216 HydrophobicContact CB-CG2 3.95Å; L180-V216 PolarHBondContact N-O 3.03Å; L180-V216 PolarHBondContact O-N 3.46Å; V182-V216 HydrophobicContact CG2-CB 4.45Å; V182-V216 HydrophobicContact CG2-CG1 3.62Å; V182-V216 HydrophobicContact CG2-CG2 4.29Å; A201-V216 HydrophobicContact CB-CG2 3.73Å; P203-V216 HydrophobicContact CB-CG1 3.97Å; P203-V216 HydrophobicContact CG-CG1 3.92Å; I209-V216 HydrophobicContact CG1-CG1 3.97Å; V216-F235 HydrophobicContact CB-CB 4.39Å; V216-F235 HydrophobicContact CG2-CB 4.37Å; V216-F235 HydrophobicContact CG2-CD1 4.02Å; V216-F235 HydrophobicContact CG2-CG 4.24Å
217T89.1Confident84.8Confident45 Ų4562 Ų6228%0.27634%0.335SS..EExtended strand (participates in β ladder)trans-88.6124.6178.1-53.60000109.6D178 Y234 F235D178-T217 WeakPolarHBondContact OD1-CG2 3.45Å; T217-Y234 HydrophobicContact CG2-CD1 3.74Å; T217-Y234 HydrophobicContact CG2-CE1 3.99Å; T217-F235 PolarHBondContact O-N 3.43Å
218V90.3Very high86Confident3 Ų361.8 Ų61.82%0.01834%0.336CS..BIsolated β-bridgetrans-85.8146-172.6176.40000111.5D178 L180 M220 I223 P237 I245D178-V218 WeakPolarHBondContact O-CB 3.4Å; D178-V218 WeakPolarHBondContact O-CG2 3.34Å; D178-V218 PolarHBondContact O-N 2.77Å; L180-V218 HydrophobicContact CB-CG2 4.23Å; L180-V218 HydrophobicContact CD1-CG2 3.79Å; L180-V218 HydrophobicContact CG-CG2 3.87Å; V218-M220 HydrophobicContact CB-CE 3.78Å; V218-M220 HydrophobicContact CG1-CE 3.64Å; V218-M220 PolarHBondContact O-N 2.94Å; V218-I223 HydrophobicContact CG1-CD1 4.02Å; V218-I223 HydrophobicContact CG1-CG1 3.7Å; V218-P237 HydrophobicContact CG1-CG 3.75Å; V218-I245 HydrophobicContact CG1-CD1 4.07Å; V218-I245 HydrophobicContact CG2-CD1 4.03Å
219C91Very high87.2Confident5 Ų568.4 Ų68.43%0.03436%0.358CS..  trans-71.798.1169.3-171.30000110.4D221 Y222 I223 F235 H236C219-D221 PolarHBondContact O-N 3.26Å; C219-Y222 WeakPolarHBondContact O-CB 3.38Å; C219-Y222 PolarHBondContact O-N 3.41Å; C219-Y222 PolarHBondContact SG-N 2.95Å; C219-Y222 VanDerWaalsContact SG-N 3.37Å; C219-I223 PolarHBondContact O-N 3.33Å; C219-I223 VanDerWaalsContact O-N 3.09Å; C219-F235 PolarHBondContact N-O 2.97Å; C219-H236 VanDerWaalsContact CB-CD2 3.44Å; C219-H236 WeakPolarHBondContact CB-CD2 3.41Å
220M89.5Confident87.3Confident39 Ų3975.5 Ų75.519%0.19239%0.391CS..Hα-helixtrans-56.7-35.3173.9-73-62.910200112.9D178 V218 Y222 I223 K224 I245 Q249D178-M220 VanDerWaalsContact OD2-CE 3.27Å; D178-M220 WeakPolarHBondContact OD2-CE 3.43Å; D178-M220 WeakPolarHBondContact OD2-CG 3.44Å; V218-M220 HydrophobicContact CB-CE 3.78Å; V218-M220 HydrophobicContact CG1-CE 3.64Å; V218-M220 PolarHBondContact O-N 2.94Å; M220-Y222 VanDerWaalsContact C-N 3.3Å; M220-Y222 PolarHBondContact O-N 3.47Å; M220-I223 HydrophobicContact CE-CB 4.39Å; M220-I223 HydrophobicContact CE-CG1 3.78Å; M220-I223 WeakPolarHBondContact O-CB 3.48Å; M220-I223 PolarHBondContact O-N 3.29Å; M220-K224 WeakPolarHBondContact O-CB 3.31Å; M220-K224 WeakPolarHBondContact O-CE 3.35Å; M220-K224 VanDerWaalsContact O-CG 3.27Å; M220-K224 WeakPolarHBondContact O-CG 3.46Å; M220-K224 PolarHBondContact O-N 3.03Å; M220-I245 HydrophobicContact CE-CG2 4.25Å; M220-Q249 PolarHBondContact SD-NE2 3.32Å
221D90.6Very high87.4Confident72 Ų7282.3 Ų82.339%0.38542%0.417SS..Hα-helixtrans-68.5-27.6176.4-66.8-54.8000112.8C219 K224 S225 R226 C227C219-D221 PolarHBondContact O-N 3.26Å; D221-K224 CarbonylContact O-C 3.58Å; D221-K224 WeakPolarHBondContact OD1-CE 3.4Å; D221-K224 IonicContact OD1-NZ 3.93Å; D221-K224 PolarHBondContact OD1-NZ 3.11Å; D221-S225 PolarHBondContact O-N 3.34Å; D221-R226 HydrophobicContact CB-CB 4.23Å; D221-R226 CarbonylContact O-C 3.58Å; D221-R226 WeakPolarHBondContact O-CA 3.39Å; D221-R226 PolarHBondContact O-N 3.3Å; D221-C227 HydrophobicContact CB-CB 4.02Å; D221-C227 PolarHBondContact O-N 2.97Å
222Y91.8Very high87.7Confident73 Ų7377.6 Ų77.629%0.28639%0.389SS..Hα-helixtrans-69.1-45.2168.4-174.3-109.2000111.5C219 M220 K224 S225 C227 H236C219-Y222 WeakPolarHBondContact O-CB 3.38Å; C219-Y222 PolarHBondContact O-N 3.41Å; C219-Y222 PolarHBondContact SG-N 2.95Å; C219-Y222 VanDerWaalsContact SG-N 3.37Å; M220-Y222 VanDerWaalsContact C-N 3.3Å; M220-Y222 PolarHBondContact O-N 3.47Å; Y222-K224 PolarHBondContact O-N 3.13Å; Y222-S225 PolarHBondContact O-N 3.26Å; Y222-C227 WeakPolarHBondContact CD2-O 3.45Å; Y222-H236 HydrophobicContact CD1-CB 3.89Å; Y222-H236 AromaticContact CD1-CG 3.9Å; Y222-H236 HydrophobicContact CD2-CB 4.42Å; Y222-H236 AromaticContact CD2-CD2 3.97Å; Y222-H236 AromaticContact CD2-CE1 3.56Å; Y222-H236 AromaticContact CD2-CG 3.75Å; Y222-H236 AromaticContact CD2-ND1 3.49Å; Y222-H236 WeakPolarHBondContact CD2-ND1 3.39Å; Y222-H236 AromaticContact CD2-NE2 3.85Å; Y222-H236 HydrophobicContact CE1-CB 3.78Å; Y222-H236 HydrophobicContact CE2-CB 4.35Å; Y222-H236 AromaticContact CE2-ND1 3.66Å; Y222-H236 HydrophobicContact CG-CB 4.2Å; Y222-H236 AromaticContact CG-CD2 3.64Å; Y222-H236 AromaticContact CG-CG 3.69Å; Y222-H236 AromaticContact CG-ND1 3.93Å; Y222-H236 AromaticContact CG-NE2 3.83Å
223I89.5Confident88Confident6 Ų681 Ų813%0.03139%0.392CS..Hα-helixtrans-56.6-38.9174.1-62.9-56.2000111.7V218 C219 M220 S225 P237 Q242 I245 K246V218-I223 HydrophobicContact CG1-CD1 4.02Å; V218-I223 HydrophobicContact CG1-CG1 3.7Å; C219-I223 PolarHBondContact O-N 3.33Å; C219-I223 VanDerWaalsContact O-N 3.09Å; M220-I223 HydrophobicContact CE-CB 4.39Å; M220-I223 HydrophobicContact CE-CG1 3.78Å; M220-I223 WeakPolarHBondContact O-CB 3.48Å; M220-I223 PolarHBondContact O-N 3.29Å; I223-S225 VanDerWaalsContact C-N 3.29Å; I223-S225 PolarHBondContact O-N 3.25Å; I223-P237 HydrophobicContact CD1-CG 3.73Å; I223-Q242 HydrophobicContact CD1-CB 4.2Å; I223-Q242 HydrophobicContact CD1-CG 3.85Å; I223-I245 HydrophobicContact CD1-CD1 3.96Å; I223-I245 HydrophobicContact CD1-CG2 4.4Å; I223-I245 HydrophobicContact CG1-CG2 4.3Å; I223-I245 HydrophobicContact CG2-CG2 4.24Å; I223-K246 HydrophobicContact CG2-CD 4.46Å; I223-K246 HydrophobicContact CG2-CG 3.88Å; I223-K246 WeakPolarHBondContact O-CE 3.44Å; I223-K246 PolarHBondContact O-NZ 3.12Å; I223-K246 VanDerWaalsContact O-NZ 3.11Å
224K87.9Confident88.4Confident109 Ų10981 Ų8147%0.47439%0.385SS..THydrogen-bonded Turntrans-836.1176.5-63.3171.5-52.9-1680114M220 D221 Y222 R226M220-K224 WeakPolarHBondContact O-CB 3.31Å; M220-K224 WeakPolarHBondContact O-CE 3.35Å; M220-K224 VanDerWaalsContact O-CG 3.27Å; M220-K224 WeakPolarHBondContact O-CG 3.46Å; M220-K224 PolarHBondContact O-N 3.03Å; D221-K224 CarbonylContact O-C 3.58Å; D221-K224 WeakPolarHBondContact OD1-CE 3.4Å; D221-K224 IonicContact OD1-NZ 3.93Å; D221-K224 PolarHBondContact OD1-NZ 3.11Å; Y222-K224 PolarHBondContact O-N 3.13Å; K224-R226 VanDerWaalsContact C-N 3.31Å; K224-R226 HydrophobicContact CB-CG 4.45Å; K224-R226 PolarHBondContact O-N 3.07Å
225S87Confident88.6Confident101 Ų10180.4 Ų80.471%0.70638%0.381SS*.THydrogen-bonded Turntrans5638.4-178.6-55.50000114.6D221 Y222 I223D221-S225 PolarHBondContact O-N 3.34Å; Y222-S225 PolarHBondContact O-N 3.26Å; I223-S225 VanDerWaalsContact C-N 3.29Å; I223-S225 PolarHBondContact O-N 3.25Å
226R88.9Confident88.8Confident202 Ų20281.4 Ų81.476%0.76239%0.385SS*.  trans-115.3-14.3175.8-62.8-175.2-177.3-170.4-1114D221 K224D221-R226 HydrophobicContact CB-CB 4.23Å; D221-R226 CarbonylContact O-C 3.58Å; D221-R226 WeakPolarHBondContact O-CA 3.39Å; D221-R226 PolarHBondContact O-N 3.3Å; K224-R226 VanDerWaalsContact C-N 3.31Å; K224-R226 HydrophobicContact CB-CG 4.45Å; K224-R226 PolarHBondContact O-N 3.07Å
227C90.6Very high88.7Confident22 Ų2281.4 Ų81.415%0.14938%0.384CS..  trans-103.9134.1171.3-171.30000110.2D221 Y222 H236D221-C227 HydrophobicContact CB-CB 4.02Å; D221-C227 PolarHBondContact O-N 2.97Å; Y222-C227 WeakPolarHBondContact CD2-O 3.45Å; C227-H236 PolarHBondContact SG-NE2 3.2Å
228S90.6Very high88.7Confident107 Ų10780.3 Ų80.375%0.74838%0.378SS*.  trans-137.935.4174.5620000110.6
229R92.2Very high88.5Confident188 Ų18883.9 Ų83.971%0.70941%0.408SS*.  trans-99.5113.5-179.6-67.4-176.5176.5-167.9-1.2110.1K231 C232 H236R229-K231 PolarHBondContact O-N 2.91Å; R229-C232 PolarHBondContact O-N 3.03Å; R229-H236 PolarHBondContact O-CE1 3.12Å
230E81.8Confident88.3Confident176 Ų17687.2 Ų87.282%0.82242%0.423SS*.SBendtrans-56.4-38.8176.3-53.4-48.698.100112.5C232E230-C232 PolarHBondContact O-N 3.1Å
231K84.8Confident88.1Confident205 Ų20585.5 Ų85.589%0.89141%0.414SS*.SBendtrans-99.372172.6-62.9-173.4-179.9-175.80110.5R229R229-K231 PolarHBondContact O-N 2.91Å
232C87.1Confident88Confident29 Ų2983.7 Ų83.720%0.19640%0.404CS..  trans-85.3149.4175.1-167.20000111.8R229 E230 Y234 H236R229-C232 PolarHBondContact O-N 3.03Å; E230-C232 PolarHBondContact O-N 3.1Å; C232-Y234 PolarHBondContact O-N 3.21Å; C232-H236 WeakPolarHBondContact CB-NE2 3.38Å; C232-H236 PolarHBondContact SG-NE2 2.92Å
233K86.5Confident87.8Confident165 Ų16583 Ų8372%0.71741%0.414SS*.SBendtrans-67.7-17.9172.4179.1175.6176.8-1730113M208M208-K233 VanDerWaalsContact CE-C 3.48Å; M208-K233 WeakPolarHBondContact CE-O 3.16Å
234Y88.1Confident87.6Confident103 Ų10386.3 Ų86.340%0.40443%0.427SS..SBendtrans-128.8148-172.9-58.7-79.7000110.2T217 C232 H236T217-Y234 HydrophobicContact CG2-CD1 3.74Å; T217-Y234 HydrophobicContact CG2-CE1 3.99Å; C232-Y234 PolarHBondContact O-N 3.21Å; Y234-H236 PolarHBondContact O-CD2 3.22Å
235F89.3Confident87.5Confident19 Ų1981.4 Ų81.48%0.08341%0.407CS..BIsolated β-bridgetrans-61.9138.4-171-177.8-113.9000112.4L180 A201 V216 T217 C219 P237L180-F235 HydrophobicContact CD1-CD1 4.33Å; L180-F235 HydrophobicContact CD1-CE1 4.27Å; A201-F235 HydrophobicContact CB-CE1 3.89Å; A201-F235 HydrophobicContact CB-CZ 4.31Å; V216-F235 HydrophobicContact CB-CB 4.39Å; V216-F235 HydrophobicContact CG2-CB 4.37Å; V216-F235 HydrophobicContact CG2-CD1 4.02Å; V216-F235 HydrophobicContact CG2-CG 4.24Å; T217-F235 PolarHBondContact O-N 3.43Å; C219-F235 PolarHBondContact N-O 2.97Å; F235-P237 HydrophobicContact CD1-CB 4.18Å; F235-P237 HydrophobicContact CE1-CB 3.86Å; F235-P237 WeakPolarHBondContact O-CD 3.32Å
236H89.9Confident87.6Confident40 Ų4080.5 Ų80.519%0.18539%0.39CS..  trans-104.290.1178-79.9-167.2000110C219 Y222 C227 R229 C232 Y234C219-H236 VanDerWaalsContact CB-CD2 3.44Å; C219-H236 WeakPolarHBondContact CB-CD2 3.41Å; Y222-H236 HydrophobicContact CD1-CB 3.89Å; Y222-H236 AromaticContact CD1-CG 3.9Å; Y222-H236 HydrophobicContact CD2-CB 4.42Å; Y222-H236 AromaticContact CD2-CD2 3.97Å; Y222-H236 AromaticContact CD2-CE1 3.56Å; Y222-H236 AromaticContact CD2-CG 3.75Å; Y222-H236 AromaticContact CD2-ND1 3.49Å; Y222-H236 WeakPolarHBondContact CD2-ND1 3.39Å; Y222-H236 AromaticContact CD2-NE2 3.85Å; Y222-H236 HydrophobicContact CE1-CB 3.78Å; Y222-H236 HydrophobicContact CE2-CB 4.35Å; Y222-H236 AromaticContact CE2-ND1 3.66Å; Y222-H236 HydrophobicContact CG-CB 4.2Å; Y222-H236 AromaticContact CG-CD2 3.64Å; Y222-H236 AromaticContact CG-CG 3.69Å; Y222-H236 AromaticContact CG-ND1 3.93Å; Y222-H236 AromaticContact CG-NE2 3.83Å; C227-H236 PolarHBondContact SG-NE2 3.2Å; R229-H236 PolarHBondContact O-CE1 3.12Å; C232-H236 WeakPolarHBondContact CB-NE2 3.38Å; C232-H236 PolarHBondContact SG-NE2 2.92Å; Y234-H236 PolarHBondContact O-CD2 3.22Å
237P87.1Confident87.4Confident0 Ų073.1 Ų73.10%037%0.372CS..  trans-68.4147-17222.3-33.1000114.2L180 V218 I223 F235 L241 Q242 I245L180-P237 HydrophobicContact CD1-CB 3.94Å; L180-P237 HydrophobicContact CD1-CG 4.45Å; V218-P237 HydrophobicContact CG1-CG 3.75Å; I223-P237 HydrophobicContact CD1-CG 3.73Å; F235-P237 HydrophobicContact CD1-CB 4.18Å; F235-P237 HydrophobicContact CE1-CB 3.86Å; F235-P237 WeakPolarHBondContact O-CD 3.32Å; P237-L241 HydrophobicContact CB-CB 3.89Å; P237-Q242 HydrophobicContact CB-CG 4.46Å; P237-Q242 HydrophobicContact CG-CG 4.09Å; P237-Q242 VanDerWaalsContact O-CG 3.26Å; P237-Q242 WeakPolarHBondContact O-CG 3.4Å; P237-Q242 PolarHBondContact O-NE2 3.07Å; P237-I245 HydrophobicContact CB-CD1 4.42Å; P237-I245 HydrophobicContact CG-CD1 3.84Å
238P87.5Confident87.1Confident23 Ų2374 Ų7415%0.14938%0.381CS..  trans-55.8157.5168.3-25.733.1000113.7E195 H240 L241 Q242E195-P238 HydrophobicContact CG-CB 4.38Å; E195-P238 HydrophobicContact CG-CG 3.35Å; E195-P238 WeakPolarHBondContact OE1-CG 3.44Å; P238-H240 VanDerWaalsContact C-N 3.29Å; P238-H240 PolarHBondContact O-N 3Å; P238-H240 VanDerWaalsContact O-N 3.14Å; P238-L241 PolarHBondContact O-N 3.43Å; P238-Q242 WeakPolarHBondContact O-CG 3.43Å; P238-Q242 PolarHBondContact O-N 3.38Å
239A86.1Confident86.7Confident78 Ų7871.9 Ų71.965%0.64536%0.359SS*.Hα-helixtrans-52.7-39.8-173.700000114.4Q242 A243A239-Q242 WeakPolarHBondContact O-CB 3.34Å; A239-Q242 PolarHBondContact O-N 2.96Å; A239-A243 PolarHBondContact O-N 3.4Å
240H86.9Confident86.2Confident75 Ų7568.8 Ų68.835%0.34735%0.353SS..Hα-helixtrans-60.3-45.8175.2168.4-145.6000112.3T196 C198 P238 A243 K244T196-H240 VanDerWaalsContact O-CB 3.31Å; T196-H240 WeakPolarHBondContact O-CB 3.43Å; T196-H240 PolarHBondContact O-ND1 3.17Å; C198-H240 PolarHBondContact O-CE1 3.37Å; C198-H240 PolarHBondContact O-ND1 2.92Å; P238-H240 VanDerWaalsContact C-N 3.29Å; P238-H240 PolarHBondContact O-N 3Å; P238-H240 VanDerWaalsContact O-N 3.14Å; H240-A243 PolarHBondContact O-N 3.19Å; H240-K244 PolarHBondContact O-N 3.33Å
241L86.4Confident86Confident2 Ų266.4 Ų66.41%0.0134%0.341CS..Hα-helixtrans-73.7-31.1177.2-62.8-176.4000112.2L180 A201 P237 P238 A243 K244 I245L180-L241 HydrophobicContact CD1-CB 4.22Å; L180-L241 HydrophobicContact CD1-CD1 4.12Å; A201-L241 HydrophobicContact CB-CD1 4.42Å; P237-L241 HydrophobicContact CB-CB 3.89Å; P238-L241 PolarHBondContact O-N 3.43Å; L241-A243 VanDerWaalsContact C-N 3.34Å; L241-A243 PolarHBondContact O-N 3.45Å; L241-K244 HydrophobicContact CD2-CD 4.12Å; L241-K244 WeakPolarHBondContact O-CB 3.34Å; L241-K244 PolarHBondContact O-N 3.27Å; L241-I245 WeakPolarHBondContact O-CD1 3.37Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.03Å
242Q88.8Confident85.5Confident34 Ų3457.9 Ų57.916%0.15931%0.309CS..Hα-helixtrans-60.1-42.5170.2-64.9-178.137.100112.2I223 P237 P238 A239 I245 K246I223-Q242 HydrophobicContact CD1-CB 4.2Å; I223-Q242 HydrophobicContact CD1-CG 3.85Å; P237-Q242 HydrophobicContact CB-CG 4.46Å; P237-Q242 HydrophobicContact CG-CG 4.09Å; P237-Q242 VanDerWaalsContact O-CG 3.26Å; P237-Q242 WeakPolarHBondContact O-CG 3.4Å; P237-Q242 PolarHBondContact O-NE2 3.07Å; P238-Q242 WeakPolarHBondContact O-CG 3.43Å; P238-Q242 PolarHBondContact O-N 3.38Å; A239-Q242 WeakPolarHBondContact O-CB 3.34Å; A239-Q242 PolarHBondContact O-N 2.96Å; Q242-I245 PolarHBondContact O-N 3.41Å; Q242-K246 WeakPolarHBondContact O-CB 3.23Å; Q242-K246 VanDerWaalsContact O-CG 3.27Å; Q242-K246 WeakPolarHBondContact O-CG 3.48Å; Q242-K246 PolarHBondContact O-N 3.25Å
243A86.8Confident84.9Confident60 Ų6061 Ų6150%0.49632%0.324SS..Hα-helixtrans-62.4-43.9177.700000111.4A239 H240 L241 I245 K246 A247A239-A243 PolarHBondContact O-N 3.4Å; H240-A243 PolarHBondContact O-N 3.19Å; L241-A243 VanDerWaalsContact C-N 3.34Å; L241-A243 PolarHBondContact O-N 3.45Å; A243-I245 PolarHBondContact O-N 3.45Å; A243-K246 PolarHBondContact O-N 3Å; A243-A247 WeakPolarHBondContact O-CB 3.48Å; A243-A247 PolarHBondContact O-N 2.78Å
244K84.4Confident84.1Confident74 Ų7459 Ų5932%0.32232%0.317SS..Hα-helixtrans-56.5-45.9174.3-172.2-173.4179.3-167.30112R199 H240 L241 A248R199-K244 PolarHBondContact O-NZ 3.04Å; H240-K244 PolarHBondContact O-N 3.33Å; L241-K244 HydrophobicContact CD2-CD 4.12Å; L241-K244 WeakPolarHBondContact O-CB 3.34Å; L241-K244 PolarHBondContact O-N 3.27Å; K244-A248 PolarHBondContact O-N 3.48Å; K244-A248 VanDerWaalsContact O-N 3.1Å
245I87.4Confident83.1Confident7 Ų757.9 Ų57.94%0.03632%0.321CS..Hα-helixtrans-66.2-49.3177.6-67.1158.9000111.5L180 V218 M220 I223 P237 L241 Q242 A243 A247 A248 Q249L180-I245 HydrophobicContact CD1-CD1 3.89Å; L180-I245 HydrophobicContact CD2-CD1 4.41Å; L180-I245 HydrophobicContact CD2-CG1 4.38Å; L180-I245 HydrophobicContact CG-CD1 4.08Å; L180-I245 HydrophobicContact CG-CG1 4.46Å; V218-I245 HydrophobicContact CG1-CD1 4.07Å; V218-I245 HydrophobicContact CG2-CD1 4.03Å; M220-I245 HydrophobicContact CE-CG2 4.25Å; I223-I245 HydrophobicContact CD1-CD1 3.96Å; I223-I245 HydrophobicContact CD1-CG2 4.4Å; I223-I245 HydrophobicContact CG1-CG2 4.3Å; I223-I245 HydrophobicContact CG2-CG2 4.24Å; P237-I245 HydrophobicContact CB-CD1 4.42Å; P237-I245 HydrophobicContact CG-CD1 3.84Å; L241-I245 WeakPolarHBondContact O-CD1 3.37Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.03Å; Q242-I245 PolarHBondContact O-N 3.41Å; A243-I245 PolarHBondContact O-N 3.45Å; I245-A247 VanDerWaalsContact C-N 3.27Å; I245-A247 PolarHBondContact O-N 3.29Å; I245-A248 PolarHBondContact O-N 3.33Å; I245-A248 VanDerWaalsContact O-N 3.12Å; I245-Q249 HydrophobicContact CG2-CG 4.33Å; I245-Q249 WeakPolarHBondContact O-CG 3.32Å; I245-Q249 PolarHBondContact O-N 3.49Å
246K87.7Confident82.1Confident81 Ų8158.4 Ų58.435%0.35233%0.329SS..Hα-helixtrans-60.5-37.3-178.8-72.5168.1178.8174.80111.5I223 Q242 A243 H250I223-K246 HydrophobicContact CG2-CD 4.46Å; I223-K246 HydrophobicContact CG2-CG 3.88Å; I223-K246 WeakPolarHBondContact O-CE 3.44Å; I223-K246 PolarHBondContact O-NZ 3.12Å; I223-K246 VanDerWaalsContact O-NZ 3.11Å; Q242-K246 WeakPolarHBondContact O-CB 3.23Å; Q242-K246 VanDerWaalsContact O-CG 3.27Å; Q242-K246 WeakPolarHBondContact O-CG 3.48Å; Q242-K246 PolarHBondContact O-N 3.25Å; A243-K246 PolarHBondContact O-N 3Å; K246-H250 PolarHBondContact O-N 3.46Å; K246-H250 VanDerWaalsContact O-N 3.15Å
247A84.9Confident80.9Confident48 Ų4860.5 Ų60.540%0.39734%0.344SS..Hα-helixtrans-65.7-46.8172.500000112.6A243 I245 Q249 H250 Q251A243-A247 WeakPolarHBondContact O-CB 3.48Å; A243-A247 PolarHBondContact O-N 2.78Å; I245-A247 VanDerWaalsContact C-N 3.27Å; I245-A247 PolarHBondContact O-N 3.29Å; A247-Q249 VanDerWaalsContact C-N 3.34Å; A247-Q249 PolarHBondContact O-N 3.09Å; A247-H250 PolarHBondContact O-N 3.12Å; A247-Q251 WeakPolarHBondContact O-CG 3.23Å; A247-Q251 PolarHBondContact O-N 3.21Å
248A84.5Confident79.8Confident39 Ų3963.3 Ų63.332%0.32237%0.368SS..Hα-helixtrans-61.8-39.3178.100000112.5K244 I245 Q251 A252K244-A248 PolarHBondContact O-N 3.48Å; K244-A248 VanDerWaalsContact O-N 3.1Å; I245-A248 PolarHBondContact O-N 3.33Å; I245-A248 VanDerWaalsContact O-N 3.12Å; A248-Q251 PolarHBondContact O-N 3.48Å; A248-A252 WeakPolarHBondContact O-CB 3.43Å; A248-A252 PolarHBondContact O-N 3.16Å
249Q83.3Confident78.6Confident63 Ų6364.5 Ų64.529%0.29438%0.379SS..Hα-helixtrans-62.9-42174-72.2177.1-19.400112.3A177 M220 I245 A247 A252 N253A177-Q249 HydrophobicContact CB-CG 3.82Å; M220-Q249 PolarHBondContact SD-NE2 3.32Å; I245-Q249 HydrophobicContact CG2-CG 4.33Å; I245-Q249 WeakPolarHBondContact O-CG 3.32Å; I245-Q249 PolarHBondContact O-N 3.49Å; A247-Q249 VanDerWaalsContact C-N 3.34Å; A247-Q249 PolarHBondContact O-N 3.09Å; Q249-A252 PolarHBondContact O-N 3.08Å; Q249-N253 WeakPolarHBondContact O-CB 3.5Å; Q249-N253 PolarHBondContact O-N 3.48Å
250H81.5Confident77.4Confident124 Ų12467.2 Ų67.257%0.57438%0.379SS*.Hα-helixtrans-64.3-43177.3-168.476.8000111.8K246 A247 N253 Q254K246-H250 PolarHBondContact O-N 3.46Å; K246-H250 VanDerWaalsContact O-N 3.15Å; A247-H250 PolarHBondContact O-N 3.12Å; H250-N253 PolarHBondContact O-N 2.96Å; H250-Q254 WeakPolarHBondContact O-CB 3.21Å; H250-Q254 PolarHBondContact O-N 3.32Å
251Q77.5Confident76.1Confident125 Ų12566.3 Ų66.358%0.58438%0.384SS*.Hα-helixtrans-62.3-47.6174.6-69.5174.13.700111.8A247 A248 N253 Q254 T255A247-Q251 WeakPolarHBondContact O-CG 3.23Å; A247-Q251 PolarHBondContact O-N 3.21Å; A248-Q251 PolarHBondContact O-N 3.48Å; Q251-N253 VanDerWaalsContact C-N 3.29Å; Q251-N253 PolarHBondContact O-N 3.36Å; Q251-Q254 PolarHBondContact O-N 3.41Å; Q251-T255 PolarHBondContact O-N 3.21Å; Q251-T255 PolarHBondContact O-OG1 3.5Å
252A72.9Confident74.7Confident27 Ų2769 Ų6922%0.22341%0.407CS..Hα-helixtrans-58.1-41.2178.300000112.3A248 Q249 A256A248-A252 WeakPolarHBondContact O-CB 3.43Å; A248-A252 PolarHBondContact O-N 3.16Å; Q249-A252 PolarHBondContact O-N 3.08Å; A252-A256 PolarHBondContact O-N 2.82Å
253N74.9Confident73.1Confident93 Ų9370.6 Ų70.650%0.49743%0.426SS..Hα-helixtrans-66.6-43.5175.7-168.147.4000112.2Q249 H250 Q251 T255 A256 V257Q249-N253 WeakPolarHBondContact O-CB 3.5Å; Q249-N253 PolarHBondContact O-N 3.48Å; H250-N253 PolarHBondContact O-N 2.96Å; Q251-N253 VanDerWaalsContact C-N 3.29Å; Q251-N253 PolarHBondContact O-N 3.36Å; N253-T255 PolarHBondContact O-N 2.89Å; N253-A256 WeakPolarHBondContact O-CB 3.43Å; N253-A256 PolarHBondContact O-N 2.89Å; N253-A256 VanDerWaalsContact O-N 3.1Å; N253-V257 PolarHBondContact O-N 2.82Å
254Q69.2Low71.6Confident125 Ų12572 Ų7258%0.58443%0.429SS*.Hα-helixtrans-61.1-43.1176.5-172.2172.580.200111.7H250 Q251 A256 V257 A258H250-Q254 WeakPolarHBondContact O-CB 3.21Å; H250-Q254 PolarHBondContact O-N 3.32Å; Q251-Q254 PolarHBondContact O-N 3.41Å; Q254-A256 VanDerWaalsContact C-N 3.27Å; Q254-A256 PolarHBondContact O-N 3.46Å; Q254-V257 PolarHBondContact O-N 3.14Å; Q254-A258 WeakPolarHBondContact O-CB 3.36Å; Q254-A258 PolarHBondContact O-N 2.81Å
255T68.5Low70Confident79 Ų7971.3 Ų71.349%0.48544%0.436SS..Hα-helixtrans-72.1-17.3175.6-44.20000112.9K173 Q251 N253 A259K173-T255 PolarHBondContact NZ-O 2.9Å; Q251-T255 PolarHBondContact O-N 3.21Å; Q251-T255 PolarHBondContact O-OG1 3.5Å; N253-T255 PolarHBondContact O-N 2.89Å; T255-A259 WeakPolarHBondContact O-CB 3.43Å; T255-A259 PolarHBondContact O-N 3.37Å
256A67.9Low68.2Low30 Ų3073.9 Ų73.925%0.24846%0.459CS..Hα-helixtrans-76.3-50.5170.200000111A252 N253 Q254 A258 A259 Q260A252-A256 PolarHBondContact O-N 2.82Å; N253-A256 WeakPolarHBondContact O-CB 3.43Å; N253-A256 PolarHBondContact O-N 2.89Å; N253-A256 VanDerWaalsContact O-N 3.1Å; Q254-A256 VanDerWaalsContact C-N 3.27Å; Q254-A256 PolarHBondContact O-N 3.46Å; A256-A258 PolarHBondContact O-N 2.77Å; A256-A259 PolarHBondContact O-N 3.01Å; A256-Q260 PolarHBondContact O-N 3.04Å
257V65.5Low66.3Low84 Ų8473.9 Ų73.951%0.50947%0.474SS..Hα-helixtrans-59.9-44.3177.1175.40000111.5N253 Q254 A259 Q260 A261N253-V257 PolarHBondContact O-N 2.82Å; Q254-V257 PolarHBondContact O-N 3.14Å; V257-A259 VanDerWaalsContact C-N 3.33Å; V257-A259 PolarHBondContact O-N 3.11Å; V257-Q260 PolarHBondContact O-N 3.22Å; V257-A261 PolarHBondContact O-N 3.08Å
258A64.1Low64.8Low59 Ų5978.8 Ų78.849%0.48849%0.49SS..Hα-helixtrans-62-37.7176.900000113Q254 A256 A261 A262Q254-A258 WeakPolarHBondContact O-CB 3.36Å; Q254-A258 PolarHBondContact O-N 2.81Å; A256-A258 PolarHBondContact O-N 2.77Å; A258-A261 PolarHBondContact O-N 2.93Å; A258-A262 PolarHBondContact O-N 3.14Å
259A60.6Low63.1Low48 Ų4882.2 Ų82.240%0.39751%0.507SS..Hα-helixtrans-69.7-35.6177.100000112.4T255 A256 V257 A263T255-A259 WeakPolarHBondContact O-CB 3.43Å; T255-A259 PolarHBondContact O-N 3.37Å; A256-A259 PolarHBondContact O-N 3.01Å; V257-A259 VanDerWaalsContact C-N 3.33Å; V257-A259 PolarHBondContact O-N 3.11Å; A259-A263 PolarHBondContact O-N 2.84Å; A259-A263 VanDerWaalsContact O-N 3.09Å
260Q61.1Low61.3Low134 Ų13487.7 Ų87.763%0.62653%0.533SS*.Hα-helixtrans-67.7-41.1174.2-71.5174.4-4700111.5A256 V257 A262 A263 T264A256-Q260 PolarHBondContact O-N 3.04Å; V257-Q260 PolarHBondContact O-N 3.22Å; Q260-A262 PolarHBondContact O-N 3.13Å; Q260-A263 PolarHBondContact O-N 2.66Å; Q260-T264 PolarHBondContact O-N 2.67Å; Q260-T264 VanDerWaalsContact O-N 3.12Å; Q260-T264 PolarHBondContact O-OG1 3.03Å
261A59.1Low59.4Low56 Ų5686.9 Ų86.946%0.46354%0.541SS..Hα-helixtrans-61.6-42174.300000112.6V257 A258 T264 A265V257-A261 PolarHBondContact O-N 3.08Å; A258-A261 PolarHBondContact O-N 2.93Å; A261-T264 WeakPolarHBondContact CA-OG1 3.19Å; A261-T264 PolarHBondContact O-N 3.24Å; A261-T264 PolarHBondContact O-OG1 3.29Å; A261-A265 PolarHBondContact O-N 3.1Å; A261-A265 VanDerWaalsContact O-N 3.12Å
262A58.3Low57.7Low60 Ų6087.1 Ų87.150%0.49655%0.551SS.*Hα-helixtrans-63.4-40175.600000112.6A258 Q260 T264 A265 A266A258-A262 PolarHBondContact O-N 3.14Å; Q260-A262 PolarHBondContact O-N 3.13Å; A262-T264 PolarHBondContact O-N 2.99Å; A262-A265 PolarHBondContact O-N 3.28Å; A262-A266 PolarHBondContact O-N 3.2Å; A262-A266 VanDerWaalsContact O-N 3.11Å
263A55.9Low55.9Low67 Ų6790.3 Ų90.355%0.55458%0.578SS**Hα-helixtrans-63-39.6175.800000112.3A259 Q260 A265A259-A263 PolarHBondContact O-N 2.84Å; A259-A263 VanDerWaalsContact O-N 3.09Å; Q260-A263 PolarHBondContact O-N 2.66Å; A263-A265 VanDerWaalsContact C-N 3.33Å; A263-A265 PolarHBondContact O-N 3.47Å
264T54.8Low54.2Low90 Ų9096.2 Ų96.255%0.55260%0.599SS**Hα-helixtrans-68.8-27.4174.544.10000113.8Q260 A261 A262Q260-T264 PolarHBondContact O-N 2.67Å; Q260-T264 VanDerWaalsContact O-N 3.12Å; Q260-T264 PolarHBondContact O-OG1 3.03Å; A261-T264 WeakPolarHBondContact CA-OG1 3.19Å; A261-T264 PolarHBondContact O-N 3.24Å; A261-T264 PolarHBondContact O-OG1 3.29Å; A262-T264 PolarHBondContact O-N 2.99Å
265A49.7Very low52.4Low58 Ų5894.6 Ų94.648%0.47961%0.607SS.*Hα-helixtrans-73.6-43175.600000112.1A261 A262 A263 A267 M268 T269A261-A265 PolarHBondContact O-N 3.1Å; A261-A265 VanDerWaalsContact O-N 3.12Å; A262-A265 PolarHBondContact O-N 3.28Å; A263-A265 VanDerWaalsContact C-N 3.33Å; A263-A265 PolarHBondContact O-N 3.47Å; A265-A267 PolarHBondContact O-N 2.96Å; A265-A267 VanDerWaalsContact O-N 3.16Å; A265-M268 PolarHBondContact O-N 3.35Å; A265-M268 VanDerWaalsContact O-N 3.08Å; A265-T269 PolarHBondContact O-OG1 3.3Å
266A49.7Very low50.8Low62 Ų6298.8 Ų98.851%0.51262%0.623SS.*Hα-helixtrans-62.5-22-179.700000114A262 M268A262-A266 PolarHBondContact O-N 3.2Å; A262-A266 VanDerWaalsContact O-N 3.11Å; A266-M268 VanDerWaalsContact C-N 3.32Å
267A48.3Very low49.1Very low80 Ų80106.5 Ų106.566%0.66165%0.651SS**THydrogen-bonded Turntrans-74.3-17176.200000114.1A265A265-A267 PolarHBondContact O-N 2.96Å; A265-A267 VanDerWaalsContact O-N 3.16Å
268M53.5Low47.5Very low151 Ų151111.6 Ų111.674%0.74466%0.661SS**SBendtrans-94.3-12-174.4-59.5-167.7-169.400114.4A265 A266A265-M268 PolarHBondContact O-N 3.35Å; A265-M268 VanDerWaalsContact O-N 3.08Å; A266-M268 VanDerWaalsContact C-N 3.32Å
269T48.2Very low46.5Very low111 Ų111114.1 Ų114.168%0.68167%0.673SS**SBendtrans-97.71.3-166.7-4.40000115.9A265A265-T269 PolarHBondContact O-OG1 3.3Å
270Q45.4Very low45.3Very low179 Ų179117.9 Ų117.984%0.83669%0.686SS**SBendtrans-89.5-1.5-176.9-64.4-168.421.800114.8
271S41.8Very low43.9Very low107 Ų107117.5 Ų117.575%0.74868%0.684SS**SBendtrans-88.1-2.9-167.8-56.80000116.6
272T42.3Very low42.5Very low130 Ų130118.3 Ų118.380%0.79869%0.69SS**SBendtrans-139.851.5-165.960.70000116.3
273A35.2Very low41.1Very low94 Ų94121.8 Ų121.878%0.77771%0.705SS**  trans-164.794.8159.800000115.3
274K38.2Very low39.9Very low216 Ų216124.6 Ų124.694%0.93972%0.715SS**  174105.2126.4-99.3172.2178.5176.60112
275A32.5Very low38.6Very low92 Ų92126.6 Ų126.676%0.7672%0.723SS**  trans-120158161.900000109.1
276M34.8Very low37.7Very low167 Ų167130.9 Ų130.982%0.82374%0.737SS**  trans68.1107.3168.5-58.5-59.6172.600119.3
277K31.9Very low36.6Very low192 Ų192132 Ų13284%0.83575%0.746SS**  63.2105.8127.6-76.9-172.3173.6-176.60121.8
278R32.5Very low35.7Very low191 Ų191137.4 Ų137.472%0.72176%0.755SS**  -57.5174.7123.4-118.6179.1157.7-173.6-9.1109.7E281R278-E281 PolarHBondContact NH2-O 3Å
279P43.1Very low35.5Very low111 Ų111134.6 Ų134.672%0.72175%0.748SS**  cis-93.5-173.721.240.7-38.2000111.7
280L35.4Very low34.8Very low128 Ų128137.6 Ų137.667%0.6775%0.754SS**  cis-140-175.3-2.7-145.127.3000106.4
281E31.6Very low33.9Very low126 Ų126132.3 Ų132.359%0.58975%0.748SS**  cis-135.6-159.6-4.1-169.335.5-6500108.6R278R278-E281 PolarHBondContact NH2-O 3Å
282A30.4Very low33.7Very low73 Ų73134 Ų13460%0.60375%0.753SS**  trans-83.2-170.7159.800000110.9
283T27.8Very low33.1Very low132 Ų132135.9 Ų135.981%0.8176%0.758SS**  cis-120.4-179.68.953.80000110.5
284V30.5Very low33.2Very low126 Ų126139.5 Ų139.576%0.76476%0.758SS**  cis-129.8148.611.2168.40000109.4
285D27.3Very low33.6Very low133 Ų133134.1 Ų134.171%0.71175%0.746SS**  trans7.1146.8151.7-107.8-147.8000120.9
286L30.7Very low33.4Very low147 Ų147137.3 Ų137.377%0.7775%0.749SS**  cis-158.117310.6-173.852000110.9
287A27.5Very low34.1Very low86 Ų86134.7 Ų134.771%0.71174%0.744SS**  trans85.5115.9165.900000118.6
288F28.5Very low34Very low194 Ų194135.6 Ų135.685%0.85175%0.748SS**  trans-158.7-179.6177.9-123.1-111.9000104.7
289P49.9Very low34Very low92 Ų92138 Ų13860%0.59776%0.757SS**  cis-148.7175.420.447.4-28.8000119.4
290H32.9Very low34.2Very low173 Ų173138.7 Ų138.780%0.80176%0.761SS**  trans64.6149.4150.9-57.9138.7000120.1
291G28.1Very low33.8Very low68 Ų68137.6 Ų137.670%0.70177%0.771SS**  cis-155.6170.23.400000113.4
292V37.3Very low34.2Very low142 Ų142139 Ų13986%0.86178%0.782SS**  trans-116.5128.7-171.3-179.80000110.9
293L29.4Very low34.4Very low171 Ų171142.2 Ų142.290%0.89578%0.784SS**  trans-143.9135.6159-77.3-177.6000112.9
294Q37.1Very low34.6Very low170 Ų170143.9 Ų143.979%0.79478%0.78SS**  trans-131.3151.2154.2-87.7-81.6-23.500103.4
295P46Very low35Very low103 Ų103142.8 Ų142.867%0.66978%0.778SS**  -159.1-153.156.336.8-9.9000115.6
296L27.9Very low35.2Very low159 Ų159144.6 Ų144.683%0.83279%0.788SS**  trans83.6153.3164-95.577.1000118.8
297P50.9Low35.2Very low111 Ų111141.4 Ų141.472%0.72179%0.791SS**  trans-120169.9-151.543.4-33.6000115.3
298K28.9Very low35.3Very low212 Ų212141.9 Ų141.992%0.92280%0.795SS**  trans-131152.5161.5-72.8-171.7176.8177.50112.2
299R33.5Very low35.6Very low242 Ų242137.9 Ų137.991%0.91379%0.791SS**PPolyproline II helixtrans-87.1172.2-171.5-109.9-179.9174.5170.6-2111.8
300P47.4Very low34.9Very low124 Ų124139.6 Ų139.681%0.80581%0.805SS**PPolyproline II helixtrans-75.1157.3-156.930.9-38000114.8
301A26.3Very low35.5Very low106 Ų106139.7 Ų139.788%0.87681%0.81SS**PPolyproline II helixtrans-103.3157.2162.500000110.4
302L39.8Very low36Very low155 Ų155146.4 Ų146.481%0.81282%0.821SS**  trans-127.2148.5-162.4169.565.1000110.5
303E35.3Very low36.1Very low140 Ų140145.5 Ų145.565%0.65481%0.811SS**  trans67164.2170.2-81.3-168.6130.200116.9
304K31.1Very low36.7Very low168 Ų168142.7 Ų142.773%0.7380%0.803SS**  cis-141.7171.96.3-140.8165.7-174.877.40112.4
305S39.5Very low37.4Very low102 Ų102138.9 Ų138.971%0.71380%0.795SS**  trans-94.7152.6-163.6-460000116.7
306N30.3Very low37.6Very low171 Ų171139.1 Ų139.191%0.91480%0.795SS**  trans166.7119.7139.9-84.2-21.2000106.2
307G32.2Very low38.8Very low81 Ų81139 Ų13984%0.83579%0.794SS**  cis125.3131.147.300000106
308A28.9Very low38.6Very low96 Ų96141.1 Ų141.179%0.79379%0.794SS**  cis-152.4161.311.900000114.2
309S34.8Very low39.3Very low109 Ų109139.1 Ų139.176%0.76278%0.782SS**  trans5494146.5-58.90000121.6
310S36.3Very low40Very low129 Ų129135.8 Ų135.890%0.90278%0.777SS**  -157.794.5128.9-84.20000110.5F312S310-F312 PolarHBondContact O-N 3.45Å
311L44.1Very low40.1Very low174 Ų174136.7 Ų136.791%0.91177%0.77SS**  trans-82111.5179.6-70.2169.4000110.7
312F39.1Very low41.1Very low209 Ų209134.7 Ų134.792%0.91775%0.754SS**  trans-132.7126.8159-118.7-90.2000110.5S310S310-F312 PolarHBondContact O-N 3.45Å
313N39.8Very low41.8Very low124 Ų124133.4 Ų133.466%0.66375%0.747SS**  trans-97.9116.6-168.8174.88.5000110.9S315N313-S315 VanDerWaalsContact C-N 3.28Å; N313-S315 PolarHBondContact O-N 3.38Å; N313-S315 WeakPolarHBondContact OD1-CB 3.49Å; N313-S315 PolarHBondContact OD1-N 3.38Å
314P41.4Very low42.3Very low112 Ų112130.1 Ų130.173%0.72774%0.743SS**  trans-83.811.3178.834.1-35.1000114.6V316P314-V316 PolarHBondContact O-N 2.89Å
315S51.9Low43Very low89 Ų89129.5 Ų129.562%0.62275%0.748SS**THydrogen-bonded Turntrans-76.455.1-179.3-157.50000113.9N313N313-S315 VanDerWaalsContact C-N 3.28Å; N313-S315 PolarHBondContact O-N 3.38Å; N313-S315 WeakPolarHBondContact OD1-CB 3.49Å; N313-S315 PolarHBondContact OD1-N 3.38Å
316V51.2Low43.1Very low109 Ų109128.9 Ų128.966%0.66175%0.749SS**THydrogen-bonded Turntrans-127.2-32.6171.3-178.80000110.9P314 H318P314-V316 PolarHBondContact O-N 2.89Å; V316-H318 PolarHBondContact O-N 3.06Å
317L51.9Low43.6Very low156 Ų156129 Ų12982%0.81774%0.744SS**THydrogen-bonded Turntrans-74.6-21.3-178.6-92161.9000114.6
318H48.1Very low43.9Very low155 Ų155131.3 Ų131.372%0.71874%0.737SS**THydrogen-bonded Turntrans-85.2-35.2-177.1-154.277.7000113.4V316 Q320 Q321V316-H318 PolarHBondContact O-N 3.06Å; H318-Q320 PolarHBondContact O-N 3.3Å; H318-Q321 PolarHBondContact O-N 2.97Å
319Y43.4Very low44.1Very low170 Ų170136 Ų13667%0.66774%0.742SS**Hα-helixtrans-66.1-36.4-177-171-102.4000112.7Q321 A322 L323Y319-Q321 VanDerWaalsContact C-N 3.26Å; Y319-Q321 PolarHBondContact O-N 3.43Å; Y319-A322 PolarHBondContact O-N 3.36Å; Y319-L323 HydrophobicContact CE1-CD1 4Å
320Q48.3Very low44.2Very low173 Ų173138.4 Ų138.481%0.80874%0.741SS**Hα-helixtrans-72.6-18.6-177.8-154167.911100113.4H318H318-Q320 PolarHBondContact O-N 3.3Å
321Q49.5Very low44.5Very low143 Ų143138 Ų13867%0.66874%0.736SS**Hα-helixtrans-85.6-26.2176-164.664.975.800112.8H318 Y319H318-Q321 PolarHBondContact O-N 2.97Å; Y319-Q321 VanDerWaalsContact C-N 3.26Å; Y319-Q321 PolarHBondContact O-N 3.43Å
322A45.3Very low43.9Very low64 Ų64133.1 Ų133.153%0.52972%0.72SS.*Hα-helixtrans-76-22.6-170.900000114.6Y319 A324Y319-A322 PolarHBondContact O-N 3.36Å; A322-A324 VanDerWaalsContact C-N 3.27Å; A322-A324 PolarHBondContact O-N 2.93Å
323L54.6Low43.3Very low128 Ų128133.2 Ų133.267%0.6772%0.721SS**THydrogen-bonded Turntrans-80.1-2.1-177.1-72.9163.5000114.3Y319Y319-L323 HydrophobicContact CE1-CD1 4Å
324A46.2Very low42.9Very low70 Ų70136.4 Ų136.458%0.57973%0.729SS**THydrogen-bonded Turntrans-88.4-5.4-175.200000115.3A322A322-A324 VanDerWaalsContact C-N 3.27Å; A322-A324 PolarHBondContact O-N 2.93Å
325N45.3Very low43.2Very low156 Ų156136.6 Ų136.683%0.83473%0.73SS**SBendtrans-132.650.8-171.9-84.5-51000113.1
326A41.9Very low42.1Very low89 Ų89138.6 Ų138.674%0.73674%0.739SS**  trans-133.262.1-17900000113.3
327Q40.9Very low41.3Very low173 Ų173137.4 Ų137.481%0.80874%0.74SS**  trans-144.3130.7171.9-84.9-94.9-60.200105.1
328L39Very low40.4Very low129 Ų129136.7 Ų136.768%0.67574%0.743SS**  cis-142.3145.312-76.6156.5000110.5
329Q33.6Very low40.1Very low195 Ų195135.7 Ų135.791%0.91175%0.748SS**  trans-158.3127.8139.1-132.887.468.600110.8
330Q37.4Very low40.1Very low160 Ų160133 Ų13375%0.74875%0.751SS**  trans-112.7151.6168-92.4-81-6.300106.2A332Q330-A332 VanDerWaalsContact OE1-N 3.08Å
331P40.9Very low39.4Very low120 Ų120129 Ų12978%0.77975%0.747SS**  -148.8146.670.737.6-17.6000118.7
332A31.2Very low38.8Very low71 Ų71128.6 Ų128.659%0.58776%0.755SS**  trans31.9129.8134.100000122.1Q330Q330-A332 VanDerWaalsContact OE1-N 3.08Å
333F28.5Very low38.5Very low212 Ų212131 Ų13193%0.9377%0.768SS**  -162.5151.1125.1-111.9-77.4000111.4
334F30.7Very low38Very low190 Ų190131.7 Ų131.783%0.83378%0.777SS**  trans-117.4174.7167.9-68.6-84.8000108
335P47.4Very low38.3Very low117 Ų117133.7 Ų133.776%0.7678%0.784SS**  cis-106.8-138.4-0.518.57.4000110.4
336T29.5Very low37.7Very low130 Ų130137.1 Ų137.180%0.79879%0.787SS**  cis-155.1164.911.8-46.60000110.6
337A33.2Very low37.5Very low84 Ų84136 Ų13669%0.69478%0.778SS**  trans-98.4158.5-177.900000114.5
338T33.8Very low37.3Very low141 Ų141132.1 Ų132.187%0.86578%0.775SS**  trans-165.2136.5137.45.90000112.9
339T41.1Very low37.1Very low134 Ų134132.7 Ų132.782%0.82278%0.784SS**  trans-123156.8148.557.50000106.1
340P44Very low37.3Very low115 Ų115127.4 Ų127.475%0.74777%0.774SS**  -156.3-179.7103.440.7-22.9000115.8
341A33.7Very low38.3Very low87 Ų87125.7 Ų125.772%0.71978%0.777SS**  trans63.7125153.800000118.8
342T37.7Very low38.1Very low136 Ų136124.1 Ų124.183%0.83477%0.774SS**  cis86.310844.6-61.10000113.8
343S38.3Very low38.7Very low115 Ų115128 Ų12880%0.80479%0.785SS**  trans-175.5132133.334.50000113.8
344V44.9Very low39.3Very low142 Ų142125.9 Ų125.986%0.86178%0.778SS**  trans-141.8141.9150.1-144.30000104.1
345P51.1Low39.9Very low111 Ų111123.2 Ų123.272%0.72177%0.771SS**  -157.6-178.798.639.1-19.4000116.2
346Y34.3Very low39.7Very low229 Ų229125 Ų12590%0.89877%0.772SS**  trans78.2143.6144.8-126.2-112.9000119.6
347A37Very low40.2Very low66 Ų66126.2 Ų126.255%0.54577%0.773SS.*  cis-171.4175.4-30.600000111.5
348A35.6Very low41Very low91 Ų91135.3 Ų135.375%0.75280%0.797SS**  trans74.1152.6153.500000117.7
349T36.4Very low41.3Very low140 Ų140135 Ų13586%0.85979%0.794SS**  cis-147.1167.5-1.7-33.40000110
350A36.3Very low41.3Very low85 Ų85135.1 Ų135.170%0.70279%0.792SS**  trans-110.7-157.7168.100000110.1
351P59.7Low41.2Very low123 Ų123136.2 Ų136.280%0.79980%0.795SS**  cis-129.1-174.4-31.140.4-25000112.6
352A35.5Very low41.6Very low87 Ų87139.1 Ų139.172%0.71980%0.799SS**  trans173158142.500000115.1
353N43.2Very low41.9Very low154 Ų154139.3 Ų139.382%0.82480%0.797SS**  trans50.1123.6162.5-61.3-3.5000119.4
354Q42.8Very low42.1Very low166 Ų166140.9 Ų140.978%0.77680%0.796SS**  cis88.7130.614.6-136.7-154.4130.800117.7
355I43Very low41.9Very low135 Ų135140.8 Ų140.869%0.69279%0.792SS**  trans72133.4161.4-16.1175.3000122
356I42.8Very low41.2Very low154 Ų154143.1 Ų143.179%0.7980%0.797SS**  trans129.3138.8140-66.9-175.2000115.9
357L40.7Very low41.8Very low156 Ų156135.9 Ų135.982%0.81779%0.789SS**  trans-73157.6-174-63.863.4000113.2
358K48.5Very low42.2Very low274 Ų274142.3 Ų142.3100%1.19181%0.811SS**  -147.60119.8-155.9155.3-170.9170.20111.6

Retrieved 358 of 358 residues in 283.3 ms (Link to these results)

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