A0A087XL80_POEFO Loading...

Nonsense-mediated mRNA decay factor SMG8

Involved in nonsense-mediated decay (NMD) of mRNAs containing premature stop codons.

AlphaFold DB , UniProt , Accession A0A087XL80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 917 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
1M31.9Very low55Low245 Ų245113.9 Ų113.9100%1.20759%0.585SS**  0109.90-77.6164.3164.100106.5E3M1-E3 PolarHBondContact O-N 2.9Å
2K28.3Very low57.5Low201 Ų201104.4 Ų104.487%0.87454%0.537SS*.  trans-72.7118174.5-79.8-179.3174.1-179.40106.8V4K2-V4 PolarHBondContact O-N 3.26Å
3E30.5Very low59.3Low190 Ų19096.8 Ų96.889%0.88850%0.5SS*.  trans-59.3104.9162.6-80.6180146.900107.4M1 K5M1-E3 PolarHBondContact O-N 2.9Å; E3-K5 PolarHBondContact O-N 3.07Å
4V39.8Very low61Low91 Ų9192.8 Ų92.855%0.55249%0.488SS*.  trans-76.9107.1170.1-179.70000105.8K2 M6K2-V4 PolarHBondContact O-N 3.26Å; V4-M6 PolarHBondContact O-N 3.37Å
5K41.9Very low62.5Low191 Ų19189.1 Ų89.183%0.8347%0.469SS*.PPolyproline II helixtrans-62.1120.8179.6-78.1-179.8173.9-179.60109.4E3E3-K5 PolarHBondContact O-N 3.07Å
6M52.9Low63.7Low41 Ų4184.4 Ų84.420%0.20244%0.444CS..PPolyproline II helixtrans-62144.7165.6-90.6-169.351.600110.6V4 K58 I60 L79V4-M6 PolarHBondContact O-N 3.37Å; M6-K58 HydrophobicContact CG-CD 4.29Å; M6-K58 HydrophobicContact SD-CD 3.37Å; M6-K58 WeakPolarHBondContact SD-CD 3.45Å; M6-I60 HydrophobicContact CE-CD1 3.79Å; M6-I60 HydrophobicContact CE-CG1 3.97Å; M6-L79 HydrophobicContact CE-CD1 3.86Å; M6-L79 HydrophobicContact CE-CD2 4.11Å; M6-L79 HydrophobicContact CE-CG 4.15Å
7A63.6Low64.3Low39 Ų3991.5 Ų91.532%0.32246%0.463SS..PPolyproline II helixtrans-63.7136.2172.400000109.9L79A7-L79 WeakPolarHBondContact O-CD1 3.31Å
8P71.2Confident64.6Low95 Ų9589.5 Ų89.562%0.61746%0.463SS*.PPolyproline II helixtrans-62.1157.7174.127.8-34.1000110.4V10P8-V10 WeakPolarHBondContact O-CG2 3.43Å; P8-V10 PolarHBondContact O-N 3.42Å
9P76.9Confident64.3Low47 Ų4794.2 Ų94.231%0.30548%0.483SS..PPolyproline II helixtrans-62.1128.6171.226.6-32.5000109.6I60 F61P9-I60 HydrophobicContact CG-CG2 4.33Å; P9-F61 HydrophobicContact CB-CE1 3.58Å; P9-F61 HydrophobicContact CB-CZ 3.73Å; P9-F61 HydrophobicContact CG-CD1 4.23Å; P9-F61 HydrophobicContact CG-CE1 3.71Å; P9-F61 HydrophobicContact CG-CZ 4.2Å
10V83.3Confident64Low53 Ų5392.8 Ų92.832%0.32148%0.48SS..EExtended strand (participates in β ladder)trans-122.1144.3-178.9-174.40000109.2P8 L12 A14 L15 A78P8-V10 WeakPolarHBondContact O-CG2 3.43Å; P8-V10 PolarHBondContact O-N 3.42Å; V10-L12 PolarHBondContact O-N 3.44Å; V10-A14 HydrophobicContact CG1-CB 3.82Å; V10-L15 HydrophobicContact CG1-CB 4.46Å; V10-A78 PolarHBondContact N-O 2.87Å; V10-A78 VanDerWaalsContact N-O 3.08Å; V10-A78 PolarHBondContact O-N 3.22Å
11D84.7Confident63.2Low60 Ų6097.8 Ų97.832%0.32150%0.501SS..EExtended strand (participates in β ladder)trans-58.2135.4168.9178.559000110.4G13 A14 L15D11-G13 PolarHBondContact O-N 3.5Å; D11-G13 PolarHBondContact OD2-N 3.24Å; D11-G13 VanDerWaalsContact OD2-N 3.14Å; D11-A14 HydrophobicContact CB-CB 4.38Å; D11-A14 WeakPolarHBondContact O-CA 3.33Å; D11-A14 WeakPolarHBondContact O-CB 3.24Å; D11-A14 PolarHBondContact O-N 3.27Å; D11-L15 PolarHBondContact O-N 3.25Å
12L85.3Confident64.3Low0 Ų088 Ų880%045%0.453CS..Hα-helixtrans-60.6-36.7-175.1-179.765.4000111.4V10 A14 L15 L16 V76 A78 L89 Y133 W373 Y381V10-L12 PolarHBondContact O-N 3.44Å; L12-A14 VanDerWaalsContact C-N 3.27Å; L12-A14 PolarHBondContact O-N 3.49Å; L12-L15 HydrophobicContact CD1-CD2 4.38Å; L12-L15 PolarHBondContact O-N 3.08Å; L12-L16 HydrophobicContact CD1-CD1 3.92Å; L12-L16 HydrophobicContact CD1-CD2 4.29Å; L12-L16 HydrophobicContact CD1-CG 3.91Å; L12-L16 HydrophobicContact CD2-CD1 4.3Å; L12-L16 HydrophobicContact CG-CD1 3.71Å; L12-L16 HydrophobicContact CG-CG 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 3.18Å; L12-V76 HydrophobicContact CB-CB 4.08Å; L12-V76 HydrophobicContact CB-CG1 4.18Å; L12-V76 WeakPolarHBondContact CB-O 3.34Å; L12-V76 HydrophobicContact CD2-CB 3.95Å; L12-V76 HydrophobicContact CD2-CG1 3.8Å; L12-V76 PolarHBondContact N-O 2.83Å; L12-A78 HydrophobicContact CD1-CB 4.1Å; L12-L89 HydrophobicContact CD1-CD2 4.21Å; L12-Y133 HydrophobicContact CD2-CD1 4.43Å; L12-Y133 HydrophobicContact CD2-CE1 3.49Å; L12-Y133 VanDerWaalsContact CD2-CE1 3.49Å; L12-W373 HydrophobicContact CD1-CH2 4.06Å; L12-Y381 HydrophobicContact CD2-CD2 3.99Å; L12-Y381 HydrophobicContact CD2-CE2 4.1Å; L12-Y381 HydrophobicContact CG-CD2 4.41Å; L12-Y381 HydrophobicContact CG-CE2 4.41Å
13G80.7Confident65.5Low6 Ų683.9 Ų83.96%0.06244%0.44CS..Hα-helixtrans-65.1-30176.100000113.2D11 R17D11-G13 PolarHBondContact O-N 3.5Å; D11-G13 PolarHBondContact OD2-N 3.24Å; D11-G13 VanDerWaalsContact OD2-N 3.14Å; G13-R17 WeakPolarHBondContact O-CG 3.44Å; G13-R17 PolarHBondContact O-NE 3.43Å
14A82.8Confident66.5Low40 Ų4079.4 Ų79.433%0.33144%0.435SS..Hα-helixtrans-76.5-42.217200000111.7V10 D11 L12 L16 R17 A18V10-A14 HydrophobicContact CG1-CB 3.82Å; D11-A14 HydrophobicContact CB-CB 4.38Å; D11-A14 WeakPolarHBondContact O-CA 3.33Å; D11-A14 WeakPolarHBondContact O-CB 3.24Å; D11-A14 PolarHBondContact O-N 3.27Å; L12-A14 VanDerWaalsContact C-N 3.27Å; L12-A14 PolarHBondContact O-N 3.49Å; A14-L16 VanDerWaalsContact C-N 3.31Å; A14-L16 PolarHBondContact O-N 3.32Å; A14-R17 PolarHBondContact O-N 2.74Å; A14-A18 PolarHBondContact O-N 3.3Å; A14-A18 VanDerWaalsContact O-N 3.07Å
15L83.2Confident67.1Low38 Ų3879.4 Ų79.420%0.19944%0.439CS..Hα-helixtrans-59.7-41.2177.1-177.666.6000112.1V10 D11 L12 R17 A18 A78 F370V10-L15 HydrophobicContact CG1-CB 4.46Å; D11-L15 PolarHBondContact O-N 3.25Å; L12-L15 HydrophobicContact CD1-CD2 4.38Å; L12-L15 PolarHBondContact O-N 3.08Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 3.38Å; L15-A18 PolarHBondContact O-N 3.18Å; L15-A78 HydrophobicContact CD2-CB 3.51Å; L15-F370 HydrophobicContact CD1-CZ 4.46Å
16L82.1Confident67.8Low13 Ų1374.5 Ų74.57%0.06842%0.419CS..THydrogen-bonded Turntrans-76.1-14.6-178.5-64.5173000113.8L12 A14 W373 V374 A377 Y381L12-L16 HydrophobicContact CD1-CD1 3.92Å; L12-L16 HydrophobicContact CD1-CD2 4.29Å; L12-L16 HydrophobicContact CD1-CG 3.91Å; L12-L16 HydrophobicContact CD2-CD1 4.3Å; L12-L16 HydrophobicContact CG-CD1 3.71Å; L12-L16 HydrophobicContact CG-CG 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 3.18Å; A14-L16 VanDerWaalsContact C-N 3.31Å; A14-L16 PolarHBondContact O-N 3.32Å; L16-W373 HydrophobicContact CD2-CZ3 4.41Å; L16-V374 HydrophobicContact CD2-CG1 4.14Å; L16-A377 HydrophobicContact CD2-CB 3.76Å; L16-Y381 HydrophobicContact CD1-CD1 4.31Å; L16-Y381 HydrophobicContact CD1-CD2 4.01Å; L16-Y381 HydrophobicContact CD1-CG 3.72Å
17R74.8Confident68Low205 Ų20580.6 Ų80.677%0.77444%0.44SS*.THydrogen-bonded Turntrans-94.9-23174.6-76.4-175.4-71.8-177.60.1113G13 A14 L15G13-R17 WeakPolarHBondContact O-CG 3.44Å; G13-R17 PolarHBondContact O-NE 3.43Å; A14-R17 PolarHBondContact O-N 2.74Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 3.38Å
18A69.9Low68Low56 Ų5687.7 Ų87.746%0.46347%0.467SS..SBendtrans-68.6137.5174.700000110.1A14 L15A14-A18 PolarHBondContact O-N 3.3Å; A14-A18 VanDerWaalsContact O-N 3.07Å; L15-A18 PolarHBondContact O-N 3.18Å
19E57.5Low68.1Low179 Ų17985.4 Ų85.484%0.83645%0.449SS*.  trans-62135.8170.2-71.5-159.1159.900109.5Q21E19-Q21 PolarHBondContact O-N 2.88Å
20P58.5Low68.3Low66 Ų6683.7 Ų83.743%0.42944%0.44SS..  trans-66.994.8-178.325.1-31.7000110.2E22 T371P20-E22 VanDerWaalsContact C-N 3.27Å; P20-E22 PolarHBondContact O-N 3.31Å; P20-E22 VanDerWaalsContact O-N 3.11Å; P20-T371 HydrophobicContact CG-CG2 4.41Å
21Q48.5Very low68.7Low197 Ų19781.2 Ų81.292%0.92143%0.425SS*.  trans-84.272.6173.2-156.91747.900108.6E19E19-Q21 PolarHBondContact O-N 2.88Å
22E54.2Low69Low41 Ų4178.4 Ų78.419%0.19241%0.41CS..  trans-79.6131.8170.3-83.4175.7-166.400110.1P20 A24 R27 F370 T371P20-E22 VanDerWaalsContact C-N 3.27Å; P20-E22 PolarHBondContact O-N 3.31Å; P20-E22 VanDerWaalsContact O-N 3.11Å; E22-A24 PolarHBondContact O-N 3.22Å; E22-R27 WeakPolarHBondContact OE2-CA 3.46Å; E22-R27 WeakPolarHBondContact OE2-CG 3.48Å; E22-F370 HydrophobicContact CG-CD1 4.1Å; E22-F370 VanDerWaalsContact OE1-CB 3.23Å; E22-F370 WeakPolarHBondContact OE1-CB 3.3Å; E22-F370 VanDerWaalsContact OE1-CD1 3.31Å; E22-F370 WeakPolarHBondContact OE1-CD1 3.01Å; E22-T371 PolarHBondContact OE1-N 3.45Å; E22-T371 PolarHBondContact OE1-OG1 2.87Å; E22-T371 PolarHBondContact OE2-OG1 3.5Å; E22-T371 VanDerWaalsContact OE2-OG1 3.14Å
23D53.3Low69.5Low113 Ų11378.4 Ų78.460%0.60441%0.41SS*.  trans-58.6132.3163.8-81.4-35.6000109.2S25 H26D23-S25 PolarHBondContact O-N 2.84Å; D23-H26 PolarHBondContact O-N 3.24Å
24A52.1Low70.2Confident96 Ų9678.1 Ų78.179%0.79341%0.407SS*.THydrogen-bonded Turntrans-56.6-16.1-172.700000114.8E22E22-A24 PolarHBondContact O-N 3.22Å
25S52.9Low70.9Confident91 Ų9176.2 Ų76.264%0.63639%0.391SS*.THydrogen-bonded Turntrans-80.1-18.9177.853.90000115.2D23D23-S25 PolarHBondContact O-N 2.84Å
26H55.1Low71.4Confident88 Ų8874.5 Ų74.541%0.40738%0.382SS..SBendtrans-114.69.4-172.4-67.1-63.9000114.2D23 E28 D29D23-H26 PolarHBondContact O-N 3.24Å; H26-E28 PolarHBondContact O-N 2.93Å; H26-D29 IonicContact CE1-OD2 2.79Å; H26-D29 IonicContact CG-OD2 3.98Å; H26-D29 IonicContact ND1-OD2 3.01Å; H26-D29 PolarHBondContact ND1-OD2 3.15Å; H26-D29 PolarHBondContact O-N 3.35Å
27R58.5Low72Confident170 Ų17073.9 Ų73.964%0.64238%0.379SS*.THydrogen-bonded Turntrans-63.6-23.9-173.7-130.4-177.3-178.4172.70.4115.2E22E22-R27 WeakPolarHBondContact OE2-CA 3.46Å; E22-R27 WeakPolarHBondContact OE2-CG 3.48Å
28E61.8Low72.9Confident188 Ų18864.2 Ų64.288%0.87934%0.343SS*.THydrogen-bonded Turntrans-105.80.8-178.5-60.5-156.816100113.7H26 G30H26-E28 PolarHBondContact O-N 2.93Å; E28-G30 PolarHBondContact O-N 2.98Å
29D74Confident73.9Confident47 Ų4764.2 Ų64.225%0.25133%0.333SS..  trans-72.3130.2-179.2-87-46.1000111.5H26 R85H26-D29 IonicContact CE1-OD2 2.79Å; H26-D29 IonicContact CG-OD2 3.98Å; H26-D29 IonicContact ND1-OD2 3.01Å; H26-D29 PolarHBondContact ND1-OD2 3.15Å; H26-D29 PolarHBondContact O-N 3.35Å; D29-R85 IonicContact OD1-NH1 2.9Å; D29-R85 PolarHBondContact OD1-NH1 2.74Å
30G82.3Confident75.3Confident11 Ų1156.2 Ų56.211%0.11330%0.296CS..BIsolated β-bridgetrans-74.2135.6177.100000111.9E28E28-G30 PolarHBondContact O-N 2.98Å
31L89.8Confident76.4Confident1 Ų154.8 Ų54.81%0.00529%0.288CS..  trans-104.6130-172.8179.469000112.1V33 Y80 L87 L367 P368 F370 W373L31-V33 HydrophobicContact CD2-CG2 3.87Å; L31-V33 HydrophobicContact CG-CG2 4.03Å; L31-Y80 HydrophobicContact CD1-CD2 3.93Å; L31-Y80 HydrophobicContact CD1-CE2 3.37Å; L31-L87 HydrophobicContact CD1-CB 3.91Å; L31-L87 HydrophobicContact CD2-CB 4.12Å; L31-L87 HydrophobicContact CD2-CD2 4.2Å; L31-L87 HydrophobicContact CG-CB 4.31Å; L31-L367 WeakPolarHBondContact O-CD1 3.48Å; L31-P368 WeakPolarHBondContact CB-O 3.31Å; L31-P368 PolarHBondContact N-O 3.11Å; L31-F370 HydrophobicContact CD2-CB 4.33Å; L31-F370 HydrophobicContact CD2-CD2 4.06Å; L31-W373 HydrophobicContact CD2-CB 4.2Å; L31-W373 HydrophobicContact CD2-CD2 4.43Å; L31-W373 HydrophobicContact CD2-CG 4.19Å
32C92.8Very high77.5Confident0 Ų051.5 Ų51.50%028%0.282CS..EExtended strand (participates in β ladder)trans-93.9136.7164.1-171.80000110.2R85 V86 L87 V343 V346 L347C32-R85 PolarHBondContact N-O 2.91Å; C32-R85 VanDerWaalsContact N-O 3.09Å; C32-V86 HydrophobicContact CB-CG2 4.42Å; C32-V86 CarbonylContact O-C 3.58Å; C32-V86 WeakPolarHBondContact O-CA 3.42Å; C32-L87 PolarHBondContact O-N 3.44Å; C32-V343 HydrophobicContact CB-CG1 4.18Å; C32-V346 HydrophobicContact CB-CB 4.45Å; C32-V346 HydrophobicContact CB-CG1 4.02Å; C32-L347 HydrophobicContact CB-CD2 3.96Å; C32-L347 HydrophobicContact CB-CG 4.32Å
33V94.8Very high78.2Confident0 Ų053.4 Ų53.40%029%0.291CS..EExtended strand (participates in β ladder)trans-117.7120.3-179.3-174.40000109.3L31 L87 L89 C138 H139 V140 W373L31-V33 HydrophobicContact CD2-CG2 3.87Å; L31-V33 HydrophobicContact CG-CG2 4.03Å; V33-L87 WeakPolarHBondContact CA-O 3.49Å; V33-L87 HydrophobicContact CG1-CD2 4.41Å; V33-L87 HydrophobicContact CG2-CB 4.36Å; V33-L87 HydrophobicContact CG2-CD2 4.41Å; V33-L89 HydrophobicContact CG1-CD1 3.79Å; V33-L89 HydrophobicContact CG1-CG 4.1Å; V33-C138 HydrophobicContact CG1-CB 4.43Å; V33-H139 PolarHBondContact N-ND1 3.46Å; V33-H139 PolarHBondContact O-N 3.44Å; V33-V140 PolarHBondContact O-N 3.12Å; V33-W373 HydrophobicContact CG1-CZ2 4.31Å; V33-W373 HydrophobicContact CG2-CG 4.42Å
34V95.8Very high78.6Confident0 Ų051.4 Ų51.40%028%0.283CS..EExtended strand (participates in β ladder)trans-115.2111.6-177.8-178.80000109.1V86 L87 Y88 L89 V140 L142 L339 V343V34-V86 HydrophobicContact CB-CG1 4.22Å; V34-V86 HydrophobicContact CG2-CG1 3.64Å; V34-L87 PolarHBondContact N-O 2.97Å; V34-Y88 HydrophobicContact CB-CD1 3.91Å; V34-Y88 HydrophobicContact CB-CE1 4.15Å; V34-Y88 HydrophobicContact CG1-CD1 4.14Å; V34-Y88 HydrophobicContact CG1-CE1 4.29Å; V34-Y88 HydrophobicContact CG2-CE1 4.46Å; V34-Y88 CarbonylContact O-C 3.59Å; V34-Y88 WeakPolarHBondContact O-CA 3.43Å; V34-L89 PolarHBondContact O-N 3.24Å; V34-V140 CarbonylContact C-O 3.58Å; V34-V140 WeakPolarHBondContact CA-O 3.28Å; V34-V140 HydrophobicContact CG2-CB 4.38Å; V34-L142 HydrophobicContact CG1-CD1 4.04Å; V34-L142 HydrophobicContact CG1-CG 4.08Å; V34-L339 HydrophobicContact CG1-CD1 4.42Å; V34-V343 HydrophobicContact CG2-CG2 4.26Å
35G96.2Very high79.2Confident0 Ų047.5 Ų47.50%025%0.252CS..EExtended strand (participates in β ladder)trans-89.4135.8174.300000111.6L89 V140 L141 L142G35-L89 CarbonylContact C-O 3.52Å; G35-L89 WeakPolarHBondContact CA-O 3.4Å; G35-V140 PolarHBondContact N-O 2.82Å; G35-L141 CarbonylContact O-C 3.56Å; G35-L141 WeakPolarHBondContact O-CA 3.38Å; G35-L142 PolarHBondContact O-N 3.45Å
36V95.3Very high80.1Confident3 Ų343.9 Ų43.92%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-120.2120.1177.5-172.60000108.9K48 L89 L90 L91 L142 V144V36-K48 HydrophobicContact CG1-CB 4.05Å; V36-K48 HydrophobicContact CG1-CD 4.29Å; V36-K48 HydrophobicContact CG1-CG 4.17Å; V36-L89 PolarHBondContact N-O 2.8Å; V36-L90 HydrophobicContact CB-CD1 3.9Å; V36-L90 HydrophobicContact CG1-CD1 3.99Å; V36-L91 PolarHBondContact O-N 3.41Å; V36-L142 WeakPolarHBondContact CA-O 3.42Å; V36-L142 HydrophobicContact CG1-CB 4.43Å; V36-L142 HydrophobicContact CG2-CB 4.28Å; V36-L142 HydrophobicContact CG2-CD1 4.22Å; V36-V144 HydrophobicContact CG1-CG2 3.83Å
37F95.1Very high81.1Confident0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-141.7172.5176.872.3-86.9000110.1L91 L131 M134 F135 L141 L142 L143 V144 Y154 F158 L196F37-L91 HydrophobicContact CB-CB 4.12Å; F37-L91 HydrophobicContact CB-CD2 4.09Å; F37-L131 HydrophobicContact CB-CD1 4.39Å; F37-L131 HydrophobicContact CD1-CD1 3.78Å; F37-L131 HydrophobicContact CD2-CD1 3.8Å; F37-L131 HydrophobicContact CD2-CD2 4.32Å; F37-L131 HydrophobicContact CE1-CD1 3.89Å; F37-L131 HydrophobicContact CE2-CD1 3.93Å; F37-L131 HydrophobicContact CE2-CD2 4.17Å; F37-L131 HydrophobicContact CG-CD1 3.73Å; F37-L131 HydrophobicContact CZ-CD1 3.97Å; F37-M134 HydrophobicContact CB-CE 4.44Å; F37-M134 HydrophobicContact CB-SD 4.28Å; F37-M134 HydrophobicContact CD1-CE 4.49Å; F37-F135 HydrophobicContact CZ-CZ 4.32Å; F37-L141 HydrophobicContact CE1-CB 4.1Å; F37-L141 HydrophobicContact CE1-CD1 4.46Å; F37-L142 PolarHBondContact N-O 3.03Å; F37-L142 VanDerWaalsContact O-O 3.07Å; F37-L143 HydrophobicContact CD2-CG 4.48Å; F37-L143 HydrophobicContact CE2-CB 4.27Å; F37-L143 HydrophobicContact CE2-CD1 3.7Å; F37-L143 HydrophobicContact CE2-CG 3.91Å; F37-L143 HydrophobicContact CZ-CB 4.12Å; F37-L143 HydrophobicContact CZ-CD1 3.98Å; F37-L143 HydrophobicContact CZ-CG 4.24Å; F37-L143 CarbonylContact O-C 3.54Å; F37-L143 WeakPolarHBondContact O-CA 3.34Å; F37-V144 PolarHBondContact O-N 3.46Å; F37-Y154 HydrophobicContact CE2-CE1 4.32Å; F37-F158 HydrophobicContact CE2-CE1 4.43Å; F37-F158 HydrophobicContact CE2-CZ 4.43Å; F37-F158 HydrophobicContact CZ-CE1 4.23Å; F37-F158 HydrophobicContact CZ-CZ 4.23Å; F37-L196 HydrophobicContact CE1-CD1 3.83Å; F37-L196 HydrophobicContact CZ-CD1 3.8Å
38G91.9Very high82.5Confident2 Ų232.7 Ų32.72%0.02118%0.182CC..EExtended strand (participates in β ladder)trans143.4-160.6176.700000112.8V144G38-V144 CarbonylContact C-O 3.5Å; G38-V144 VanDerWaalsContact CA-O 3.26Å; G38-V144 WeakPolarHBondContact CA-O 3.5Å
39K91.8Very high83.6Confident56 Ų5625 Ų2524%0.24315%0.145CC..  trans-104.3150.7177.2-72.4171-175.6-170.90109.8C95 V144 P146 D151 Y154K39-C95 HydrophobicContact CG-CB 3.9Å; K39-V144 PolarHBondContact N-O 2.89Å; K39-P146 WeakPolarHBondContact O-CD 3.3Å; K39-D151 IonicContact NZ-OD2 3.06Å; K39-D151 PolarHBondContact NZ-OD2 3.32Å; K39-Y154 WeakPolarHBondContact CG-OH 3.49Å
40S86.4Confident84.1Confident10 Ų1025 Ų257%0.0715%0.153CC..BIsolated β-bridgetrans-133.6140.9175.155.30000111.1D96 S97S40-D96 WeakPolarHBondContact CB-OD1 3.31Å; S40-D96 VanDerWaalsContact OG-CA 3.29Å; S40-D96 WeakPolarHBondContact OG-CA 3.35Å; S40-D96 VanDerWaalsContact OG-CB 3.3Å; S40-D96 WeakPolarHBondContact OG-CB 3.4Å; S40-D96 PolarHBondContact OG-OD1 3.44Å; S40-S97 PolarHBondContact O-N 3.28Å; S40-S97 PolarHBondContact O-OG 3.35Å; S40-S97 PolarHBondContact OG-N 2.99Å
41S82.3Confident84.2Confident36 Ų3625.2 Ų25.225%0.25215%0.151SC..  trans-80.9162.2174.255.40000111.9Q43 S97S41-Q43 VanDerWaalsContact C-N 3.31Å; S41-Q43 PolarHBondContact O-N 2.84Å; S41-Q43 PolarHBondContact OG-NE2 3.24Å; S41-S97 VanDerWaalsContact C-OG 3.28Å
42T71.5Confident84Confident129 Ų12925.2 Ų25.279%0.79115%0.151SC*.SBendtrans-68.584.6170.148.10000110.6S97T42-S97 PolarHBondContact N-OG 3.48Å
43Q69.6Low83.7Confident80 Ų8026.3 Ų26.337%0.37416%0.157SC..  trans-118.9162.2170.7-71178.213.800109.6S41 G45S41-Q43 VanDerWaalsContact C-N 3.31Å; S41-Q43 PolarHBondContact O-N 2.84Å; S41-Q43 PolarHBondContact OG-NE2 3.24Å; Q43-G45 VanDerWaalsContact C-N 3.29Å; Q43-G45 PolarHBondContact O-N 3.49Å
44T61.5Low83.3Confident72 Ų7230.5 Ų30.544%0.44218%0.182SC..SBendtrans-55.5-42.5-178.241.60000112.1R98T44-R98 PolarHBondContact O-NH2 2.87Å
45G63.5Low82.8Confident14 Ų1430.7 Ų30.714%0.14418%0.184CC..SBendtrans-109.4147.1170.100000112.5Q43Q43-G45 VanDerWaalsContact C-N 3.29Å; Q43-G45 PolarHBondContact O-N 3.49Å
46P72Confident82Confident15 Ų1530.9 Ų30.910%0.09719%0.185CC..  trans-78.4130.2176.732.3-25.4000109.5K48 E49 A50 R98P46-K48 PolarHBondContact O-N 2.85Å; P46-K48 VanDerWaalsContact O-N 3.09Å; P46-E49 HydrophobicContact CG-CB 3.92Å; P46-E49 HydrophobicContact CG-CG 3.71Å; P46-E49 WeakPolarHBondContact CG-OE1 3.45Å; P46-E49 WeakPolarHBondContact CG-OE2 3.47Å; P46-E49 PolarHBondContact O-N 3.12Å; P46-E49 VanDerWaalsContact O-N 3.12Å; P46-A50 PolarHBondContact O-N 3.39Å; P46-R98 VanDerWaalsContact CD-CZ 3.5Å
47L77.3Confident81.4Confident17 Ų1737.2 Ų37.29%0.08922%0.219CC..Hα-helixtrans-54.1-36.3-171.1-69.9166.3000113.7A50 L51 V144 P146 Q201L47-A50 PolarHBondContact O-N 3.33Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 VanDerWaalsContact O-CG 3.24Å; L47-L51 WeakPolarHBondContact O-CG 3.44Å; L47-L51 PolarHBondContact O-N 3.32Å; L47-V144 HydrophobicContact CB-CG1 4.32Å; L47-P146 HydrophobicContact CD1-CB 3.91Å; L47-Q201 VanDerWaalsContact CD1-OE1 3.24Å
48K87.3Confident80.7Confident5 Ų540.2 Ų40.22%0.02223%0.232CC..Hα-helixtrans-71.4-35.6-176.1-54.1-179.9-68.6-162.70112.6V36 P46 I52 L90 L91 D96 V144V36-K48 HydrophobicContact CG1-CB 4.05Å; V36-K48 HydrophobicContact CG1-CD 4.29Å; V36-K48 HydrophobicContact CG1-CG 4.17Å; P46-K48 PolarHBondContact O-N 2.85Å; P46-K48 VanDerWaalsContact O-N 3.09Å; K48-I52 WeakPolarHBondContact O-CG1 3.27Å; K48-I52 PolarHBondContact O-N 3.4Å; K48-L90 HydrophobicContact CB-CD1 3.31Å; K48-L90 HydrophobicContact CB-CG 4.44Å; K48-L90 HydrophobicContact CD-CD1 4.12Å; K48-L90 HydrophobicContact CG-CD1 4.29Å; K48-L91 PolarHBondContact NZ-O 3.15Å; K48-D96 VanDerWaalsContact CE-OD1 3.28Å; K48-D96 WeakPolarHBondContact CE-OD1 3.43Å; K48-D96 IonicContact NZ-OD1 3.94Å; K48-D96 PolarHBondContact NZ-OD1 3.19Å; K48-D96 IonicContact NZ-OD2 3.35Å; K48-D96 PolarHBondContact NZ-OD2 2.78Å; K48-V144 HydrophobicContact CG-CB 4.19Å; K48-V144 HydrophobicContact CG-CG1 4.42Å; K48-V144 HydrophobicContact CG-CG2 4.17Å
49E85.7Confident80.1Confident26 Ų2647.7 Ų47.712%0.12127%0.266CS..Hα-helixtrans-70-42.3175-68.3172.3-154.400110.9P46 L51 I52 N53 F61 L90P46-E49 HydrophobicContact CG-CB 3.92Å; P46-E49 HydrophobicContact CG-CG 3.71Å; P46-E49 WeakPolarHBondContact CG-OE1 3.45Å; P46-E49 WeakPolarHBondContact CG-OE2 3.47Å; P46-E49 PolarHBondContact O-N 3.12Å; P46-E49 VanDerWaalsContact O-N 3.12Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 2.98Å; E49-I52 PolarHBondContact O-N 3.29Å; E49-I52 VanDerWaalsContact O-N 3.14Å; E49-N53 PolarHBondContact O-N 2.98Å; E49-F61 HydrophobicContact CB-CB 3.75Å; E49-F61 HydrophobicContact CB-CD1 4.27Å; E49-F61 HydrophobicContact CB-CD2 3.84Å; E49-F61 HydrophobicContact CB-CG 3.69Å; E49-F61 HydrophobicContact CG-CB 4.18Å; E49-F61 HydrophobicContact CG-CD1 3.81Å; E49-F61 HydrophobicContact CG-CD2 4.11Å; E49-F61 HydrophobicContact CG-CE1 4.19Å; E49-F61 HydrophobicContact CG-CE2 4.46Å; E49-F61 HydrophobicContact CG-CG 3.77Å; E49-F61 HydrophobicContact CG-CZ 4.5Å; E49-L90 HydrophobicContact CG-CD2 3.8Å
50A83.4Confident79.5Confident49 Ų4946.8 Ų46.841%0.40526%0.264SS..Hα-helixtrans-62.1-36.2175.900000112.6P46 L47 N53 T54P46-A50 PolarHBondContact O-N 3.39Å; L47-A50 PolarHBondContact O-N 3.33Å; A50-N53 PolarHBondContact O-N 2.83Å; A50-T54 PolarHBondContact O-N 3.32Å; A50-T54 VanDerWaalsContact O-N 3.09Å; A50-T54 PolarHBondContact O-OG1 3.04Å
51L85.2Confident79.2Confident15 Ų1547.3 Ų47.38%0.07926%0.264CS..Hα-helixtrans-61.5-44.3173-78.3167000111.7L47 E49 T54 L55 V144 V199 I270 L335L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 VanDerWaalsContact O-CG 3.24Å; L47-L51 WeakPolarHBondContact O-CG 3.44Å; L47-L51 PolarHBondContact O-N 3.32Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 2.98Å; L51-T54 PolarHBondContact O-N 3.43Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.39Å; L51-L55 PolarHBondContact O-N 2.81Å; L51-V144 HydrophobicContact CD1-CB 4.22Å; L51-V144 HydrophobicContact CD1-CG1 3.7Å; L51-V144 HydrophobicContact CD1-CG2 3.41Å; L51-V144 VanDerWaalsContact CD1-CG2 3.41Å; L51-V199 HydrophobicContact CD1-CG1 4.32Å; L51-V199 HydrophobicContact CD2-CG1 4.19Å; L51-I270 HydrophobicContact CD2-CD1 3.76Å; L51-I270 HydrophobicContact CD2-CG1 4.49Å; L51-I270 HydrophobicContact CG-CD1 4.42Å; L51-L335 HydrophobicContact CD2-CD1 4.29Å; L51-L335 HydrophobicContact CD2-CD2 3.34Å; L51-L335 HydrophobicContact CD2-CG 4.46Å
52I85.8Confident78.9Confident1 Ų149.2 Ų49.21%0.00528%0.278CS..Hα-helixtrans-65.6-43.1178.3-65.4167.7000110.8K48 E49 T54 L55 A56 I60 F61 L79 L90K48-I52 WeakPolarHBondContact O-CG1 3.27Å; K48-I52 PolarHBondContact O-N 3.4Å; E49-I52 PolarHBondContact O-N 3.29Å; E49-I52 VanDerWaalsContact O-N 3.14Å; I52-T54 PolarHBondContact O-N 3.22Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-L55 VanDerWaalsContact O-N 3.13Å; I52-A56 WeakPolarHBondContact O-CB 3.14Å; I52-A56 PolarHBondContact O-N 3.26Å; I52-I60 HydrophobicContact CG2-CD1 4.23Å; I52-F61 HydrophobicContact CB-CE2 4.16Å; I52-F61 HydrophobicContact CD1-CE2 4.08Å; I52-F61 HydrophobicContact CG2-CE2 3.99Å; I52-L79 HydrophobicContact CG2-CD2 3.48Å; I52-L79 VanDerWaalsContact CG2-CD2 3.48Å; I52-L90 HydrophobicContact CD1-CB 4.31Å; I52-L90 HydrophobicContact CD1-CD1 3.85Å; I52-L90 HydrophobicContact CD1-CD2 4.4Å; I52-L90 HydrophobicContact CD1-CG 4.42Å
53N86.3Confident78.9Confident23 Ų2346.5 Ų46.512%0.12326%0.258CS..Hα-helixtrans-55.7-41.2175-72.7-12.5000111.8E49 A50 D57 K58 I60 F61E49-N53 PolarHBondContact O-N 2.98Å; A50-N53 PolarHBondContact O-N 2.83Å; N53-D57 PolarHBondContact O-N 3.42Å; N53-D57 VanDerWaalsContact O-N 3.09Å; N53-K58 VanDerWaalsContact CA-O 3.22Å; N53-K58 WeakPolarHBondContact CA-O 3.49Å; N53-K58 WeakPolarHBondContact CB-O 3.25Å; N53-K58 PolarHBondContact O-N 2.82Å; N53-K58 VanDerWaalsContact O-N 3.17Å; N53-K58 PolarHBondContact OD1-O 3.06Å; N53-I60 WeakPolarHBondContact OD1-CB 3.48Å; N53-I60 PolarHBondContact OD1-N 2.92Å; N53-F61 PolarHBondContact ND2-O 3.13Å; N53-F61 PolarHBondContact OD1-N 2.85Å
54T85.8Confident78.9Confident87 Ų8750.4 Ų50.453%0.53427%0.274SS..Hα-helixtrans-70.1-37.9178.4-51.80000112.3A50 L51 I52 L335A50-T54 PolarHBondContact O-N 3.32Å; A50-T54 VanDerWaalsContact O-N 3.09Å; A50-T54 PolarHBondContact O-OG1 3.04Å; L51-T54 PolarHBondContact O-N 3.43Å; I52-T54 PolarHBondContact O-N 3.22Å; T54-L335 HydrophobicContact CG2-CD2 4.32Å
55L84.5Confident78.9Confident5 Ų548.4 Ų48.43%0.02627%0.268CS..Hα-helixtrans-71.1-42179.9-74.2170.9000112.4L51 I52 D57 Y88 L142 L335 K336 L339L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.39Å; L51-L55 PolarHBondContact O-N 2.81Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-L55 VanDerWaalsContact O-N 3.13Å; L55-D57 VanDerWaalsContact C-N 3.28Å; L55-Y88 HydrophobicContact CD1-CE1 4.21Å; L55-L142 HydrophobicContact CD1-CD1 4.4Å; L55-L335 HydrophobicContact CD2-CD2 4.08Å; L55-L335 HydrophobicContact CD2-CG 3.86Å; L55-L335 HydrophobicContact CG-CD2 4.07Å; L55-L335 HydrophobicContact CG-CG 4.39Å; L55-K336 HydrophobicContact CD2-CB 4.5Å; L55-L339 HydrophobicContact CD1-CD2 3.66Å; L55-L339 HydrophobicContact CD2-CB 4.16Å; L55-L339 HydrophobicContact CD2-CD2 3.75Å; L55-L339 HydrophobicContact CG-CD2 4.3Å
56A80.4Confident78.6Confident4 Ų451.6 Ų51.63%0.03329%0.288CS..Hα-helixtrans-80.5-7.7178.300000113.4I52 K58 I60I52-A56 WeakPolarHBondContact O-CB 3.14Å; I52-A56 PolarHBondContact O-N 3.26Å; A56-K58 HydrophobicContact CB-CB 4.5Å; A56-K58 WeakPolarHBondContact O-CG 3.37Å; A56-K58 PolarHBondContact O-N 3.02Å; A56-I60 HydrophobicContact CB-CD1 3.44Å; A56-I60 VanDerWaalsContact CB-CD1 3.44Å
57D81.5Confident77.7Confident135 Ų13559.7 Ų59.772%0.72232%0.324SS*.THydrogen-bonded Turntrans54.132.8-175.5-157.324.4000112.9N53 L55N53-D57 PolarHBondContact O-N 3.42Å; N53-D57 VanDerWaalsContact O-N 3.09Å; L55-D57 VanDerWaalsContact C-N 3.28Å
58K80.8Confident76.3Confident63 Ų6367.2 Ų67.227%0.27436%0.359SS..SBendtrans-144.4142.9-173.7-72.3170.7-175.5171.50110.1M6 N53 A56 I60 E83M6-K58 HydrophobicContact CG-CD 4.29Å; M6-K58 HydrophobicContact SD-CD 3.37Å; M6-K58 WeakPolarHBondContact SD-CD 3.45Å; N53-K58 VanDerWaalsContact CA-O 3.22Å; N53-K58 WeakPolarHBondContact CA-O 3.49Å; N53-K58 WeakPolarHBondContact CB-O 3.25Å; N53-K58 PolarHBondContact O-N 2.82Å; N53-K58 VanDerWaalsContact O-N 3.17Å; N53-K58 PolarHBondContact OD1-O 3.06Å; A56-K58 HydrophobicContact CB-CB 4.5Å; A56-K58 WeakPolarHBondContact O-CG 3.37Å; A56-K58 PolarHBondContact O-N 3.02Å; K58-I60 HydrophobicContact CB-CD1 4.29Å; K58-I60 HydrophobicContact CB-CG1 4.15Å; K58-I60 PolarHBondContact O-N 3.25Å; K58-I60 VanDerWaalsContact O-N 3.07Å; K58-E83 IonicContact NZ-OE1 2.86Å; K58-E83 PolarHBondContact NZ-OE1 3.32Å; K58-E83 IonicContact NZ-OE2 2.83Å; K58-E83 PolarHBondContact NZ-OE2 2.79Å
59H79.3Confident74.7Confident160 Ų16068.5 Ų68.574%0.74137%0.374SS*.  trans-8183.2172.8-94.9-78.3000110.7
60I80.4Confident73.2Confident37 Ų3775.3 Ų75.319%0.1941%0.411CS..  trans-84.1-47.7-179.5-62.5142.5000110.5M6 P9 I52 N53 A56 K58 L79M6-I60 HydrophobicContact CE-CD1 3.79Å; M6-I60 HydrophobicContact CE-CG1 3.97Å; P9-I60 HydrophobicContact CG-CG2 4.33Å; I52-I60 HydrophobicContact CG2-CD1 4.23Å; N53-I60 WeakPolarHBondContact OD1-CB 3.48Å; N53-I60 PolarHBondContact OD1-N 2.92Å; A56-I60 HydrophobicContact CB-CD1 3.44Å; A56-I60 VanDerWaalsContact CB-CD1 3.44Å; K58-I60 HydrophobicContact CB-CD1 4.29Å; K58-I60 HydrophobicContact CB-CG1 4.15Å; K58-I60 PolarHBondContact O-N 3.25Å; K58-I60 VanDerWaalsContact O-N 3.07Å; I60-L79 HydrophobicContact CD1-CD2 3.67Å; I60-L79 HydrophobicContact CG1-CD2 4.45Å; I60-L79 HydrophobicContact CG2-CD1 3.82Å; I60-L79 HydrophobicContact CG2-CD2 4.12Å
61F80Confident72.6Confident20 Ų2075.9 Ų75.99%0.08841%0.412CS..SBendtrans-97.8131177.7-61.4-83.1000110.6P9 E49 I52 N53P9-F61 HydrophobicContact CB-CE1 3.58Å; P9-F61 HydrophobicContact CB-CZ 3.73Å; P9-F61 HydrophobicContact CG-CD1 4.23Å; P9-F61 HydrophobicContact CG-CE1 3.71Å; P9-F61 HydrophobicContact CG-CZ 4.2Å; E49-F61 HydrophobicContact CB-CB 3.75Å; E49-F61 HydrophobicContact CB-CD1 4.27Å; E49-F61 HydrophobicContact CB-CD2 3.84Å; E49-F61 HydrophobicContact CB-CG 3.69Å; E49-F61 HydrophobicContact CG-CB 4.18Å; E49-F61 HydrophobicContact CG-CD1 3.81Å; E49-F61 HydrophobicContact CG-CD2 4.11Å; E49-F61 HydrophobicContact CG-CE1 4.19Å; E49-F61 HydrophobicContact CG-CE2 4.46Å; E49-F61 HydrophobicContact CG-CG 3.77Å; E49-F61 HydrophobicContact CG-CZ 4.5Å; I52-F61 HydrophobicContact CB-CE2 4.16Å; I52-F61 HydrophobicContact CD1-CE2 4.08Å; I52-F61 HydrophobicContact CG2-CE2 3.99Å; N53-F61 PolarHBondContact ND2-O 3.13Å; N53-F61 PolarHBondContact OD1-N 2.85Å
62S76.1Confident71.8Confident76 Ų7676.1 Ų76.153%0.53142%0.415SS..  trans-71.7141.1173.8178.70000111F64 G65S62-F64 PolarHBondContact O-N 2.86Å; S62-G65 PolarHBondContact O-N 3.2Å; S62-G65 VanDerWaalsContact O-N 3.11Å
63L70Confident71.6Confident73 Ų7379.5 Ų79.538%0.38243%0.433SS..THydrogen-bonded Turntrans-58.2-35.3179.8-116.9142.5000113P277L63-P277 HydrophobicContact CD2-CG 4.29Å
64F70.1Confident71.5Confident161 Ų16178.8 Ų78.871%0.70643%0.43SS*.THydrogen-bonded Turntrans-90-1.2-178.7-62.3-72.2000113.8S62S62-F64 PolarHBondContact O-N 2.86Å
65G62.8Low71.6Confident30 Ų3076.7 Ų76.731%0.30941%0.414SS..  trans62.9177.4-178.600000114.2S62S62-G65 PolarHBondContact O-N 3.2Å; S62-G65 VanDerWaalsContact O-N 3.11Å
66S56.5Low71.9Confident81 Ų8176.5 Ų76.557%0.56641%0.413SS*.  trans-102.9133.2163.8-179.60000108E68S66-E68 PolarHBondContact O-N 3.25Å
67E52Low72.3Confident185 Ų18578.6 Ų78.686%0.86442%0.422SS*.  trans-76.613.4178.8-71.3-130.6132.700113.4G69E67-G69 PolarHBondContact O-N 2.97Å
68E47.7Very low72.7Confident175 Ų17572.4 Ų72.482%0.81839%0.39SS*.  trans-92.492-170.7-66.6179.9166.100111.5S66S66-E68 PolarHBondContact O-N 3.25Å
69G54.3Low73.1Confident32 Ų3269.6 Ų69.633%0.3338%0.378SS..  trans162.7105.7162.300000113.5E67 S71 R102E67-G69 PolarHBondContact O-N 2.97Å; G69-S71 VanDerWaalsContact C-N 3.29Å; G69-S71 PolarHBondContact O-N 2.81Å; G69-R102 PolarHBondContact O-NE 2.98Å; G69-R102 PolarHBondContact O-NH1 3.14Å; G69-R102 VanDerWaalsContact O-NH1 3.16Å
70D54.6Low73.5Confident170 Ų17063.9 Ų63.991%0.90935%0.35SS*.  trans-76.2-8.2176.9-88-18.6000114.2
71S69.6Low73.7Confident60 Ų6062.1 Ų62.142%0.4234%0.341SS..  trans-79135.2179.8178.30000112.1G69 D73 Q99G69-S71 VanDerWaalsContact C-N 3.29Å; G69-S71 PolarHBondContact O-N 2.81Å; S71-D73 VanDerWaalsContact C-N 3.33Å; S71-D73 VanDerWaalsContact OG-CB 3.31Å; S71-D73 WeakPolarHBondContact OG-CB 3.34Å; S71-D73 PolarHBondContact OG-N 2.88Å; S71-D73 PolarHBondContact OG-OD2 3.38Å; S71-Q99 PolarHBondContact O-OE1 2.87Å
72S69.8Low73.8Confident21 Ų2164.6 Ų64.615%0.14735%0.352CS..  trans-86.6-0.3169.954.70000113.7
73D80.5Confident74.1Confident72 Ų7266.6 Ų66.639%0.38535%0.353SS..SBendtrans-69.1151.8-177.1-66.7-48.5000112S71 Q126S71-D73 VanDerWaalsContact C-N 3.33Å; S71-D73 VanDerWaalsContact OG-CB 3.31Å; S71-D73 WeakPolarHBondContact OG-CB 3.34Å; S71-D73 PolarHBondContact OG-N 2.88Å; S71-D73 PolarHBondContact OG-OD2 3.38Å; D73-Q126 PolarHBondContact OD1-NE2 3.05Å; D73-Q126 PolarHBondContact OD1-OE1 2.96Å
74S85Confident74.8Confident7 Ų764.6 Ų64.65%0.04934%0.343CS..  trans-66.5136.1169.8-60.90000110S92 S93 H130S74-S92 CarbonylContact C-O 3.58Å; S74-S92 VanDerWaalsContact CA-O 3.25Å; S74-S92 WeakPolarHBondContact CA-O 3.23Å; S74-S93 WeakPolarHBondContact OG-CB 3.4Å; S74-H130 PolarHBondContact O-CE1 2.89Å; S74-H130 VanDerWaalsContact O-CE1 3.31Å; S74-H130 PolarHBondContact O-NE2 2.88Å
75H87.9Confident75.7Confident44 Ų4461 Ų6120%0.20433%0.325CS..EExtended strand (participates in β ladder)trans-141.2160.4176.865.1-91.2000111.1S92 Q99H75-S92 PolarHBondContact N-O 3.27Å; H75-S92 PolarHBondContact O-N 3.32Å; H75-Q99 PolarHBondContact CE1-NE2 3.42Å; H75-Q99 VanDerWaalsContact CE1-NE2 3.26Å
76V90.2Very high77Confident0 Ų059.6 Ų59.60%031%0.31CS..EExtended strand (participates in β ladder)trans-120.4122-179.2-179.70000109L12 L89 L90 L91L12-V76 HydrophobicContact CB-CB 4.08Å; L12-V76 HydrophobicContact CB-CG1 4.18Å; L12-V76 WeakPolarHBondContact CB-O 3.34Å; L12-V76 HydrophobicContact CD2-CB 3.95Å; L12-V76 HydrophobicContact CD2-CG1 3.8Å; L12-V76 PolarHBondContact N-O 2.83Å; V76-L89 HydrophobicContact CG1-CB 4.06Å; V76-L90 CarbonylContact C-O 3.59Å; V76-L90 VanDerWaalsContact CA-O 3.3Å; V76-L90 WeakPolarHBondContact CA-O 3.4Å; V76-L91 HydrophobicContact CG2-CB 4.4Å; V76-L91 HydrophobicContact CG2-CD1 3.88Å
77Q90.1Very high78.7Confident49 Ų4955.7 Ų55.723%0.22928%0.283CS..EExtended strand (participates in β ladder)trans-95.4139.8172-62.2178.7-16.200109.7L89 L90Q77-L89 CarbonylContact O-C 3.58Å; Q77-L89 WeakPolarHBondContact O-CA 3.4Å; Q77-L90 HydrophobicContact CB-CB 4.3Å; Q77-L90 PolarHBondContact N-O 3.26Å; Q77-L90 PolarHBondContact O-N 2.83Å
78A90Very high80.6Confident5 Ų547.1 Ų47.14%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-113.1136.6178.500000110.5V10 L12 L15 L87 Y88 L89V10-A78 PolarHBondContact N-O 2.87Å; V10-A78 VanDerWaalsContact N-O 3.08Å; V10-A78 PolarHBondContact O-N 3.22Å; L12-A78 HydrophobicContact CD1-CB 4.1Å; L15-A78 HydrophobicContact CD2-CB 3.51Å; A78-L87 HydrophobicContact CB-CD1 4.41Å; A78-Y88 WeakPolarHBondContact CA-O 3.19Å; A78-L89 HydrophobicContact CB-CD2 3.76Å
79L88.3Confident82.8Confident4 Ų438.8 Ų38.82%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-133116.8175177.376.5000109.3M6 A7 I52 I60 Y88M6-L79 HydrophobicContact CE-CD1 3.86Å; M6-L79 HydrophobicContact CE-CD2 4.11Å; M6-L79 HydrophobicContact CE-CG 4.15Å; A7-L79 WeakPolarHBondContact O-CD1 3.31Å; I52-L79 HydrophobicContact CG2-CD2 3.48Å; I52-L79 VanDerWaalsContact CG2-CD2 3.48Å; I60-L79 HydrophobicContact CD1-CD2 3.67Å; I60-L79 HydrophobicContact CG1-CD2 4.45Å; I60-L79 HydrophobicContact CG2-CD1 3.82Å; I60-L79 HydrophobicContact CG2-CD2 4.12Å; L79-Y88 HydrophobicContact CD2-CD2 4.3Å; L79-Y88 PolarHBondContact N-O 3.17Å; L79-Y88 PolarHBondContact O-N 3.08Å
80Y87.3Confident84.6Confident39 Ų3937.4 Ų37.415%0.15319%0.189CC..EExtended strand (participates in β ladder)trans-97.3114.4176.7-175.5-137.3000111.2L31 Q82 L87 F370L31-Y80 HydrophobicContact CD1-CD2 3.93Å; L31-Y80 HydrophobicContact CD1-CE2 3.37Å; Y80-Q82 HydrophobicContact CD1-CG 3.73Å; Y80-Q82 HydrophobicContact CE1-CB 4.49Å; Y80-Q82 HydrophobicContact CE1-CG 3.55Å; Y80-L87 HydrophobicContact CD2-CB 4.27Å; Y80-L87 HydrophobicContact CD2-CD1 4.39Å; Y80-L87 HydrophobicContact CG-CD1 4.48Å; Y80-F370 HydrophobicContact CD1-CD2 4.28Å; Y80-F370 HydrophobicContact CD1-CE2 4.13Å; Y80-F370 HydrophobicContact CD2-CD2 4.39Å; Y80-F370 HydrophobicContact CE1-CD2 4.27Å; Y80-F370 HydrophobicContact CE2-CD2 4.43Å; Y80-F370 HydrophobicContact CG-CD2 4.34Å; Y80-F370 HydrophobicContact CG-CE2 4.1Å
81D85.9Confident86.5Confident0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-92.999.1171.9-176.5-4.5000109.6E83 N84 R85 V86 Y88D81-E83 VanDerWaalsContact C-N 3.32Å; D81-E83 PolarHBondContact O-N 2.97Å; D81-E83 PolarHBondContact OD1-N 3.07Å; D81-E83 VanDerWaalsContact OD1-N 3.17Å; D81-N84 PolarHBondContact O-N 2.97Å; D81-N84 PolarHBondContact OD1-N 3.46Å; D81-N84 WeakPolarHBondContact OD2-CB 3.22Å; D81-N84 PolarHBondContact OD2-ND2 2.86Å; D81-R85 WeakPolarHBondContact O-CA 3.43Å; D81-R85 PolarHBondContact O-N 3.09Å; D81-V86 PolarHBondContact N-O 3.29Å; D81-V86 PolarHBondContact O-N 3.26Å; D81-V86 VanDerWaalsContact O-N 3.15Å; D81-Y88 HydrophobicContact CB-CE2 4.14Å
82Q80.8Confident87.5Confident72 Ų7227 Ų2734%0.33613%0.13SC..THydrogen-bonded Turntrans-64.6-33.4-178.5-68.4179.8-5.100112.8Y80Y80-Q82 HydrophobicContact CD1-CG 3.73Å; Y80-Q82 HydrophobicContact CE1-CB 4.49Å; Y80-Q82 HydrophobicContact CE1-CG 3.55Å
83E82.4Confident88.5Confident118 Ų11826.1 Ų26.155%0.55112%0.123SC*.THydrogen-bonded Turntrans-67.7-40.9-177.7-69.5171.9-170.800110.8K58 D81K58-E83 IonicContact NZ-OE1 2.86Å; K58-E83 PolarHBondContact NZ-OE1 3.32Å; K58-E83 IonicContact NZ-OE2 2.83Å; K58-E83 PolarHBondContact NZ-OE2 2.79Å; D81-E83 VanDerWaalsContact C-N 3.32Å; D81-E83 PolarHBondContact O-N 2.97Å; D81-E83 PolarHBondContact OD1-N 3.07Å; D81-E83 VanDerWaalsContact OD1-N 3.17Å
84N84.6Confident88.9Confident32 Ų3223.3 Ų23.317%0.17111%0.109CC..THydrogen-bonded Turntrans-95-7.7-177.3-70.5-48.8000113.3D81 V86 W340D81-N84 PolarHBondContact O-N 2.97Å; D81-N84 PolarHBondContact OD1-N 3.46Å; D81-N84 WeakPolarHBondContact OD2-CB 3.22Å; D81-N84 PolarHBondContact OD2-ND2 2.86Å; N84-V86 VanDerWaalsContact C-N 3.26Å; N84-V86 HydrophobicContact CB-CG2 4.12Å; N84-V86 WeakPolarHBondContact O-CG2 3.3Å; N84-V86 PolarHBondContact O-N 3.23Å; N84-W340 HydrophobicContact CB-CH2 3.6Å; N84-W340 HydrophobicContact CB-CZ3 3.9Å; N84-W340 WeakPolarHBondContact OD1-CH2 3.39Å
85R88.6Confident89.1Confident85 Ų8524.8 Ų24.832%0.32112%0.119SC..THydrogen-bonded Turntrans54.441.4-172.9-57-178-64.4176.64.7112.5D29 C32 D81 L347D29-R85 IonicContact OD1-NH1 2.9Å; D29-R85 PolarHBondContact OD1-NH1 2.74Å; C32-R85 PolarHBondContact N-O 2.91Å; C32-R85 VanDerWaalsContact N-O 3.09Å; D81-R85 WeakPolarHBondContact O-CA 3.43Å; D81-R85 PolarHBondContact O-N 3.09Å; R85-L347 HydrophobicContact CB-CD2 4.38Å
86V90.6Very high89.2Confident0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-119.7127179.9-175.70000110.1C32 V34 D81 N84 Y88 W340 V343C32-V86 HydrophobicContact CB-CG2 4.42Å; C32-V86 CarbonylContact O-C 3.58Å; C32-V86 WeakPolarHBondContact O-CA 3.42Å; V34-V86 HydrophobicContact CB-CG1 4.22Å; V34-V86 HydrophobicContact CG2-CG1 3.64Å; D81-V86 PolarHBondContact N-O 3.29Å; D81-V86 PolarHBondContact O-N 3.26Å; D81-V86 VanDerWaalsContact O-N 3.15Å; N84-V86 VanDerWaalsContact C-N 3.26Å; N84-V86 HydrophobicContact CB-CG2 4.12Å; N84-V86 WeakPolarHBondContact O-CG2 3.3Å; N84-V86 PolarHBondContact O-N 3.23Å; V86-Y88 HydrophobicContact CB-CE2 4.03Å; V86-Y88 HydrophobicContact CG1-CD1 4.2Å; V86-Y88 HydrophobicContact CG1-CD2 4.19Å; V86-Y88 HydrophobicContact CG1-CE1 3.78Å; V86-Y88 HydrophobicContact CG1-CE2 3.77Å; V86-Y88 HydrophobicContact CG1-CG 4.39Å; V86-W340 HydrophobicContact CG2-CZ3 4.2Å; V86-V343 HydrophobicContact CG2-CG1 3.81Å
87L92.1Very high89Confident0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-98.4116.8168.6-179.769.8000109.3L31 C32 V33 V34 A78 Y80 L89 W373L31-L87 HydrophobicContact CD1-CB 3.91Å; L31-L87 HydrophobicContact CD2-CB 4.12Å; L31-L87 HydrophobicContact CD2-CD2 4.2Å; L31-L87 HydrophobicContact CG-CB 4.31Å; C32-L87 PolarHBondContact O-N 3.44Å; V33-L87 WeakPolarHBondContact CA-O 3.49Å; V33-L87 HydrophobicContact CG1-CD2 4.41Å; V33-L87 HydrophobicContact CG2-CB 4.36Å; V33-L87 HydrophobicContact CG2-CD2 4.41Å; V34-L87 PolarHBondContact N-O 2.97Å; A78-L87 HydrophobicContact CB-CD1 4.41Å; Y80-L87 HydrophobicContact CD2-CB 4.27Å; Y80-L87 HydrophobicContact CD2-CD1 4.39Å; Y80-L87 HydrophobicContact CG-CD1 4.48Å; L87-L89 HydrophobicContact CD2-CD2 4.14Å; L87-L89 HydrophobicContact CG-CD2 4.12Å; L87-W373 HydrophobicContact CD2-CD2 4.01Å; L87-W373 HydrophobicContact CD2-CE3 3.64Å; L87-W373 HydrophobicContact CD2-CH2 3.38Å; L87-W373 HydrophobicContact CD2-CZ2 3.75Å; L87-W373 HydrophobicContact CD2-CZ3 3.32Å
88Y92.8Very high88.7Confident4 Ų426.1 Ų26.12%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-92130.2174-61.1-81.1000110.1V34 L55 A78 L79 D81 V86 L339V34-Y88 HydrophobicContact CB-CD1 3.91Å; V34-Y88 HydrophobicContact CB-CE1 4.15Å; V34-Y88 HydrophobicContact CG1-CD1 4.14Å; V34-Y88 HydrophobicContact CG1-CE1 4.29Å; V34-Y88 HydrophobicContact CG2-CE1 4.46Å; V34-Y88 CarbonylContact O-C 3.59Å; V34-Y88 WeakPolarHBondContact O-CA 3.43Å; L55-Y88 HydrophobicContact CD1-CE1 4.21Å; A78-Y88 WeakPolarHBondContact CA-O 3.19Å; L79-Y88 HydrophobicContact CD2-CD2 4.3Å; L79-Y88 PolarHBondContact N-O 3.17Å; L79-Y88 PolarHBondContact O-N 3.08Å; D81-Y88 HydrophobicContact CB-CE2 4.14Å; V86-Y88 HydrophobicContact CB-CE2 4.03Å; V86-Y88 HydrophobicContact CG1-CD1 4.2Å; V86-Y88 HydrophobicContact CG1-CD2 4.19Å; V86-Y88 HydrophobicContact CG1-CE1 3.78Å; V86-Y88 HydrophobicContact CG1-CE2 3.77Å; V86-Y88 HydrophobicContact CG1-CG 4.39Å; Y88-L339 HydrophobicContact CE1-CD2 4.28Å
89L94.1Very high88.5Confident0 Ų026.3 Ų26.30%013%0.125CC..EExtended strand (participates in β ladder)trans-115112.5173.7-58.5-179.6000109.5L12 V33 V34 G35 V36 V76 Q77 A78 L87 M134 V137 W373L12-L89 HydrophobicContact CD1-CD2 4.21Å; V33-L89 HydrophobicContact CG1-CD1 3.79Å; V33-L89 HydrophobicContact CG1-CG 4.1Å; V34-L89 PolarHBondContact O-N 3.24Å; G35-L89 CarbonylContact C-O 3.52Å; G35-L89 WeakPolarHBondContact CA-O 3.4Å; V36-L89 PolarHBondContact N-O 2.8Å; V76-L89 HydrophobicContact CG1-CB 4.06Å; Q77-L89 CarbonylContact O-C 3.58Å; Q77-L89 WeakPolarHBondContact O-CA 3.4Å; A78-L89 HydrophobicContact CB-CD2 3.76Å; L87-L89 HydrophobicContact CD2-CD2 4.14Å; L87-L89 HydrophobicContact CG-CD2 4.12Å; L89-M134 HydrophobicContact CB-CE 4.44Å; L89-M134 WeakPolarHBondContact O-CE 3.46Å; L89-V137 HydrophobicContact CD1-CG2 3.91Å; L89-W373 HydrophobicContact CD1-CH2 4.27Å; L89-W373 HydrophobicContact CD1-CZ2 3.87Å; L89-W373 HydrophobicContact CD2-CH2 4.13Å
90L92.6Very high88.6Confident3 Ų329.5 Ų29.52%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-100.1108.8-177.8-17070.7000110.1V36 K48 E49 I52 V76 Q77V36-L90 HydrophobicContact CB-CD1 3.9Å; V36-L90 HydrophobicContact CG1-CD1 3.99Å; K48-L90 HydrophobicContact CB-CD1 3.31Å; K48-L90 HydrophobicContact CB-CG 4.44Å; K48-L90 HydrophobicContact CD-CD1 4.12Å; K48-L90 HydrophobicContact CG-CD1 4.29Å; E49-L90 HydrophobicContact CG-CD2 3.8Å; I52-L90 HydrophobicContact CD1-CB 4.31Å; I52-L90 HydrophobicContact CD1-CD1 3.85Å; I52-L90 HydrophobicContact CD1-CD2 4.4Å; I52-L90 HydrophobicContact CD1-CG 4.42Å; V76-L90 CarbonylContact C-O 3.59Å; V76-L90 VanDerWaalsContact CA-O 3.3Å; V76-L90 WeakPolarHBondContact CA-O 3.4Å; Q77-L90 HydrophobicContact CB-CB 4.3Å; Q77-L90 PolarHBondContact N-O 3.26Å; Q77-L90 PolarHBondContact O-N 2.83Å
91L93.1Very high88.6Confident1 Ų131.8 Ų31.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-85.2115.7173.9171.159.4000110.1V36 F37 K48 V76 H130 L131 M134V36-L91 PolarHBondContact O-N 3.41Å; F37-L91 HydrophobicContact CB-CB 4.12Å; F37-L91 HydrophobicContact CB-CD2 4.09Å; K48-L91 PolarHBondContact NZ-O 3.15Å; V76-L91 HydrophobicContact CG2-CB 4.4Å; V76-L91 HydrophobicContact CG2-CD1 3.88Å; L91-H130 HydrophobicContact CD1-CB 3.63Å; L91-H130 HydrophobicContact CD2-CB 4.24Å; L91-L131 HydrophobicContact CD2-CB 4.31Å; L91-L131 HydrophobicContact CD2-CD1 4.44Å; L91-M134 HydrophobicContact CB-CE 4.23Å; L91-M134 HydrophobicContact CB-SD 3.43Å; L91-M134 WeakPolarHBondContact CB-SD 3.39Å; L91-M134 HydrophobicContact CD2-SD 3.73Å; L91-M134 HydrophobicContact CG-SD 4.19Å
92S90.3Very high88.6Confident12 Ų1235 Ų358%0.08417%0.168CC..EExtended strand (participates in β ladder)trans-97.3118.9167.6-69.50000108.9S74 H75 D96S74-S92 CarbonylContact C-O 3.58Å; S74-S92 VanDerWaalsContact CA-O 3.25Å; S74-S92 WeakPolarHBondContact CA-O 3.23Å; H75-S92 PolarHBondContact N-O 3.27Å; H75-S92 PolarHBondContact O-N 3.32Å; S92-D96 WeakPolarHBondContact CA-OD2 3.4Å
93S91.1Very high88.9Confident1 Ų131.5 Ų31.51%0.00715%0.152CC..  trans-135.2179.5-179.578.60000111.3S74 C95 D96 Q99 H127S74-S93 WeakPolarHBondContact OG-CB 3.4Å; S93-C95 PolarHBondContact O-N 3.02Å; S93-C95 PolarHBondContact OG-N 3.26Å; S93-D96 PolarHBondContact N-OD2 3.47Å; S93-D96 VanDerWaalsContact O-CB 3.27Å; S93-D96 WeakPolarHBondContact O-CB 3.29Å; S93-D96 PolarHBondContact O-N 2.79Å; S93-Q99 VanDerWaalsContact O-CB 3.31Å; S93-Q99 WeakPolarHBondContact O-CB 3.46Å; S93-H127 WeakPolarHBondContact CB-ND1 3.46Å; S93-H127 PolarHBondContact OG-CE1 3.39Å; S93-H127 PolarHBondContact OG-ND1 3.02Å
94V90Very high89.2Confident13 Ų1329.1 Ų29.18%0.07915%0.147CC..THydrogen-bonded Turntrans-63.8-14.1179.7-169.80000113.2D96 L100 W120 L123V94-D96 PolarHBondContact O-N 3.35Å; V94-L100 HydrophobicContact CG1-CD1 3.95Å; V94-W120 HydrophobicContact CG1-CE3 4.08Å; V94-W120 HydrophobicContact CG1-CZ3 3.63Å; V94-L123 HydrophobicContact CB-CB 4.48Å; V94-L123 HydrophobicContact CG1-CD1 4.35Å; V94-L123 HydrophobicContact CG2-CB 3.66Å; V94-L123 HydrophobicContact CG2-CD1 3.98Å; V94-L123 HydrophobicContact CG2-CD2 3.87Å; V94-L123 HydrophobicContact CG2-CG 4.02Å
95C89.4Confident89.2Confident38 Ų3836.3 Ų36.326%0.25717%0.172SC..THydrogen-bonded Turntrans-68.5-13.7168.2-73.50000113.4K39 S93K39-C95 HydrophobicContact CG-CB 3.9Å; S93-C95 PolarHBondContact O-N 3.02Å; S93-C95 PolarHBondContact OG-N 3.26Å
96D88.9Confident89Confident7 Ų735.4 Ų35.44%0.03718%0.179CC..BIsolated β-bridgetrans-91136.1174.6-64.1-61.6000111.8S40 K48 S92 S93 V94 R98 Q99 L100S40-D96 WeakPolarHBondContact CB-OD1 3.31Å; S40-D96 VanDerWaalsContact OG-CA 3.29Å; S40-D96 WeakPolarHBondContact OG-CA 3.35Å; S40-D96 VanDerWaalsContact OG-CB 3.3Å; S40-D96 WeakPolarHBondContact OG-CB 3.4Å; S40-D96 PolarHBondContact OG-OD1 3.44Å; K48-D96 VanDerWaalsContact CE-OD1 3.28Å; K48-D96 WeakPolarHBondContact CE-OD1 3.43Å; K48-D96 IonicContact NZ-OD1 3.94Å; K48-D96 PolarHBondContact NZ-OD1 3.19Å; K48-D96 IonicContact NZ-OD2 3.35Å; K48-D96 PolarHBondContact NZ-OD2 2.78Å; S92-D96 WeakPolarHBondContact CA-OD2 3.4Å; S93-D96 PolarHBondContact N-OD2 3.47Å; S93-D96 VanDerWaalsContact O-CB 3.27Å; S93-D96 WeakPolarHBondContact O-CB 3.29Å; S93-D96 PolarHBondContact O-N 2.79Å; V94-D96 PolarHBondContact O-N 3.35Å; D96-R98 PolarHBondContact O-N 3.39Å; D96-R98 VanDerWaalsContact O-N 3.15Å; D96-Q99 PolarHBondContact O-N 2.84Å; D96-Q99 VanDerWaalsContact O-N 3.15Å; D96-L100 WeakPolarHBondContact O-CB 3.4Å; D96-L100 PolarHBondContact O-N 3.01Å
97S86.8Confident88.7Confident31 Ų3137.9 Ų37.922%0.21719%0.192CC..Hα-helixtrans-56.9-35.1-178.5-68.10000113.5S40 S41 T42 L101S40-S97 PolarHBondContact O-N 3.28Å; S40-S97 PolarHBondContact O-OG 3.35Å; S40-S97 PolarHBondContact OG-N 2.99Å; S41-S97 VanDerWaalsContact C-OG 3.28Å; T42-S97 PolarHBondContact N-OG 3.48Å; S97-L101 VanDerWaalsContact O-CB 3.29Å; S97-L101 WeakPolarHBondContact O-CB 3.24Å; S97-L101 PolarHBondContact O-N 3.31Å
98R83.8Confident88Confident84 Ų8441.6 Ų41.632%0.31722%0.218SC..Hα-helixtrans-68.1-44.5178.8-72-175.5176.2-175.2-5.5112.2T44 P46 D96 L101 R102T44-R98 PolarHBondContact O-NH2 2.87Å; P46-R98 VanDerWaalsContact CD-CZ 3.5Å; D96-R98 PolarHBondContact O-N 3.39Å; D96-R98 VanDerWaalsContact O-N 3.15Å; R98-L101 PolarHBondContact O-N 3.41Å; R98-R102 WeakPolarHBondContact O-CG 3.5Å; R98-R102 PolarHBondContact O-N 3.32Å; R98-R102 VanDerWaalsContact O-N 3.12Å
99Q85.9Confident87Confident8 Ų846.8 Ų46.84%0.03726%0.262CS..Hα-helixtrans-73.7-38178.5-66-54.7-19.600111.8S71 H75 S93 D96 L101 R102 A103S71-Q99 PolarHBondContact O-OE1 2.87Å; H75-Q99 PolarHBondContact CE1-NE2 3.42Å; H75-Q99 VanDerWaalsContact CE1-NE2 3.26Å; S93-Q99 VanDerWaalsContact O-CB 3.31Å; S93-Q99 WeakPolarHBondContact O-CB 3.46Å; D96-Q99 PolarHBondContact O-N 2.84Å; D96-Q99 VanDerWaalsContact O-N 3.15Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.09Å; Q99-R102 PolarHBondContact O-N 3.11Å; Q99-R102 VanDerWaalsContact O-N 3.16Å; Q99-A103 WeakPolarHBondContact O-CB 3.42Å; Q99-A103 PolarHBondContact O-N 3.23Å
100L89Confident85.9Confident71 Ų7150.6 Ų50.637%0.37230%0.301SS..Hα-helixtrans-57.1-44.6171.7-176.862.1000111V94 D96 R102 A103 C104 W120V94-L100 HydrophobicContact CG1-CD1 3.95Å; D96-L100 WeakPolarHBondContact O-CB 3.4Å; D96-L100 PolarHBondContact O-N 3.01Å; L100-R102 VanDerWaalsContact C-N 3.35Å; L100-R102 PolarHBondContact O-N 3.26Å; L100-A103 PolarHBondContact O-N 3.27Å; L100-C104 WeakPolarHBondContact O-CB 3.45Å; L100-C104 PolarHBondContact O-N 3.25Å; L100-C104 PolarHBondContact O-SG 2.91Å; L100-W120 HydrophobicContact CD1-CH2 3.64Å; L100-W120 HydrophobicContact CD1-CZ3 3.58Å
101L87.4Confident85.5Confident87 Ų8753.1 Ų53.146%0.45531%0.313SS..Hα-helixtrans-62.1-40.6176.2-177.963.5000112.2S97 R98 Q99 C104 R105S97-L101 VanDerWaalsContact O-CB 3.29Å; S97-L101 WeakPolarHBondContact O-CB 3.24Å; S97-L101 PolarHBondContact O-N 3.31Å; R98-L101 PolarHBondContact O-N 3.41Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.09Å; L101-C104 PolarHBondContact O-N 2.96Å; L101-R105 WeakPolarHBondContact O-CB 3.44Å; L101-R105 VanDerWaalsContact O-CG 3.3Å; L101-R105 WeakPolarHBondContact O-CG 3.14Å; L101-R105 PolarHBondContact O-N 3.28Å
102R85.8Confident85.2Confident67 Ų6755.5 Ų55.525%0.25333%0.33SS..Hα-helixtrans-63.6-45174.2-71.3178.7-177.2175.7-3111.7G69 R98 Q99 L100 C104 R105 S106G69-R102 PolarHBondContact O-NE 2.98Å; G69-R102 PolarHBondContact O-NH1 3.14Å; G69-R102 VanDerWaalsContact O-NH1 3.16Å; R98-R102 WeakPolarHBondContact O-CG 3.5Å; R98-R102 PolarHBondContact O-N 3.32Å; R98-R102 VanDerWaalsContact O-N 3.12Å; Q99-R102 PolarHBondContact O-N 3.11Å; Q99-R102 VanDerWaalsContact O-N 3.16Å; L100-R102 VanDerWaalsContact C-N 3.35Å; L100-R102 PolarHBondContact O-N 3.26Å; R102-C104 VanDerWaalsContact C-N 3.32Å; R102-C104 PolarHBondContact O-N 3.38Å; R102-R105 PolarHBondContact O-N 3.13Å; R102-R105 VanDerWaalsContact O-N 3.12Å; R102-S106 PolarHBondContact O-N 3.11Å; R102-S106 PolarHBondContact O-OG 3.44Å
103A87.4Confident85Confident0 Ų061.2 Ų61.20%036%0.355CS..Hα-helixtrans-60.8-39.8175.100000112.2Q99 L100 R105 S106 L107 W120 L123Q99-A103 WeakPolarHBondContact O-CB 3.42Å; Q99-A103 PolarHBondContact O-N 3.23Å; L100-A103 PolarHBondContact O-N 3.27Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-S106 WeakPolarHBondContact CA-OG 3.2Å; A103-S106 PolarHBondContact O-OG 2.95Å; A103-L107 PolarHBondContact O-N 2.72Å; A103-W120 HydrophobicContact CB-CH2 4.02Å; A103-W120 HydrophobicContact CB-CZ3 4.04Å; A103-L123 HydrophobicContact CB-CD1 4.15Å
104C88.1Confident84.8Confident67 Ų6762.8 Ų62.845%0.45337%0.369SS..Hα-helixtrans-68.3-32.2174.6-67.90000112.8L100 L101 R102L100-C104 WeakPolarHBondContact O-CB 3.45Å; L100-C104 PolarHBondContact O-N 3.25Å; L100-C104 PolarHBondContact O-SG 2.91Å; L101-C104 PolarHBondContact O-N 2.96Å; R102-C104 VanDerWaalsContact C-N 3.32Å; R102-C104 PolarHBondContact O-N 3.38Å
105R86.5Confident84.7Confident184 Ų18466.4 Ų66.469%0.69439%0.387SS*.Hα-helixtrans-75.9-34.1176.3-75.6174.5178.8179.9-0.8112.8L101 R102 A103 L107L101-R105 WeakPolarHBondContact O-CB 3.44Å; L101-R105 VanDerWaalsContact O-CG 3.3Å; L101-R105 WeakPolarHBondContact O-CG 3.14Å; L101-R105 PolarHBondContact O-N 3.28Å; R102-R105 PolarHBondContact O-N 3.13Å; R102-R105 VanDerWaalsContact O-N 3.12Å; A103-R105 VanDerWaalsContact C-N 3.34Å; R105-L107 VanDerWaalsContact C-N 3.26Å
106S83.3Confident84.8Confident65 Ų6565.4 Ų65.446%0.45538%0.382SS..Hα-helixtrans-74.9-18.5176.364.50000112.7R102 A103 S108R102-S106 PolarHBondContact O-N 3.11Å; R102-S106 PolarHBondContact O-OG 3.44Å; A103-S106 WeakPolarHBondContact CA-OG 3.2Å; A103-S106 PolarHBondContact O-OG 2.95Å; S106-S108 PolarHBondContact O-N 3.43Å
107L85.4Confident84.9Confident52 Ų5266.8 Ų66.827%0.27239%0.388SS..SBendtrans-67.4113.9174.9-15573.3000110.4A103 R105 I111 L119A103-L107 PolarHBondContact O-N 2.72Å; R105-L107 VanDerWaalsContact C-N 3.26Å; L107-I111 HydrophobicContact CD1-CD1 3.73Å; L107-I111 HydrophobicContact CD1-CG2 4.08Å; L107-I111 HydrophobicContact CD2-CG2 4.14Å; L107-I111 HydrophobicContact CG-CG2 3.89Å; L107-L119 HydrophobicContact CD1-CD1 4.23Å; L107-L119 HydrophobicContact CD1-CD2 4.26Å
108S76Confident85Confident79 Ų7970 Ų7055%0.55240%0.403SS*.  trans-70.2149-178.359.70000112.5S106 G110 I111S106-S108 PolarHBondContact O-N 3.43Å; S108-G110 PolarHBondContact O-N 3.48Å; S108-I111 PolarHBondContact O-N 3.42Å
109A73.1Confident85.3Confident113 Ų11368.9 Ų68.993%0.93440%0.402SS*.THydrogen-bonded Turntrans-65.6115170.800000109.4
110G70.8Confident85.5Confident79 Ų7972 Ų7281%0.81441%0.414SS*.THydrogen-bonded Turntrans107.77.7178.400000116.1S108S108-G110 PolarHBondContact O-N 3.48Å
111I84.5Confident85.6Confident56 Ų5671.2 Ų71.229%0.28741%0.407SS..  trans-57.9139.1172.3-166.1166.5000111.2L107 S108 D115 A116L107-I111 HydrophobicContact CD1-CD1 3.73Å; L107-I111 HydrophobicContact CD1-CG2 4.08Å; L107-I111 HydrophobicContact CD2-CG2 4.14Å; L107-I111 HydrophobicContact CG-CG2 3.89Å; S108-I111 PolarHBondContact O-N 3.42Å; I111-D115 HydrophobicContact CD1-CB 3.98Å; I111-D115 HydrophobicContact CG1-CB 3.72Å; I111-A116 HydrophobicContact CD1-CB 4.34Å; I111-A116 HydrophobicContact CG1-CB 4.45Å; I111-A116 HydrophobicContact CG2-CB 4.09Å
112S85.3Confident85.8Confident51 Ų5168.1 Ų68.136%0.35740%0.397SS..  trans-69.4154176.389.50000110.7A114 D115 A116S112-A114 PolarHBondContact O-N 2.87Å; S112-A114 PolarHBondContact OG-N 3.43Å; S112-D115 VanDerWaalsContact CB-OD2 3.31Å; S112-D115 WeakPolarHBondContact CB-OD2 3.23Å; S112-D115 PolarHBondContact O-N 3.17Å; S112-D115 PolarHBondContact OG-N 3.15Å; S112-D115 PolarHBondContact OG-OD2 2.92Å; S112-A116 WeakPolarHBondContact O-CB 3.27Å; S112-A116 PolarHBondContact O-N 3.45Å
113H86.8Confident86Confident133 Ų13365.3 Ų65.362%0.61639%0.387SS*.Hα-helixtrans-61.2-30.9178.7-176.5-81.3000112.7H117H113-H117 PolarHBondContact O-N 2.96Å
114A86.7Confident86.2Confident34 Ų3469.1 Ų69.128%0.28141%0.407SS..Hα-helixtrans-71.6-47.9177.200000111S112 A116 H117 D118S112-A114 PolarHBondContact O-N 2.87Å; S112-A114 PolarHBondContact OG-N 3.43Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 2.95Å; A114-H117 WeakPolarHBondContact O-CB 3.36Å; A114-H117 PolarHBondContact O-N 3Å; A114-H117 VanDerWaalsContact O-N 3.12Å; A114-D118 PolarHBondContact O-N 3.47Å
115D88.8Confident86.3Confident89 Ų8971 Ų7148%0.47640%0.404SS..Hα-helixtrans-64.9-37.3-179.6-55-39.1000111.5I111 S112 H117 D118 L119I111-D115 HydrophobicContact CD1-CB 3.98Å; I111-D115 HydrophobicContact CG1-CB 3.72Å; S112-D115 VanDerWaalsContact CB-OD2 3.31Å; S112-D115 WeakPolarHBondContact CB-OD2 3.23Å; S112-D115 PolarHBondContact O-N 3.17Å; S112-D115 PolarHBondContact OG-N 3.15Å; S112-D115 PolarHBondContact OG-OD2 2.92Å; D115-H117 VanDerWaalsContact C-N 3.35Å; D115-H117 PolarHBondContact O-N 3.5Å; D115-D118 PolarHBondContact O-N 2.9Å; D115-L119 WeakPolarHBondContact O-CB 3.24Å; D115-L119 PolarHBondContact O-N 3.23Å
116A90Very high86.6Confident16 Ų1664.9 Ų64.913%0.13238%0.384CS..Hα-helixtrans-61.2-43.7173.900000111.5I111 S112 A114 L119 W120I111-A116 HydrophobicContact CD1-CB 4.34Å; I111-A116 HydrophobicContact CG1-CB 4.45Å; I111-A116 HydrophobicContact CG2-CB 4.09Å; S112-A116 WeakPolarHBondContact O-CB 3.27Å; S112-A116 PolarHBondContact O-N 3.45Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 2.95Å; A116-L119 PolarHBondContact O-N 3.37Å; A116-W120 PolarHBondContact O-N 3.23Å; A116-W120 VanDerWaalsContact O-N 3.12Å
117H90.9Very high87Confident37 Ų3762.2 Ų62.217%0.17136%0.364CS..Hα-helixtrans-64.5-42.7177.2-174.478.1000112.2H113 A114 D115 L119 W120 K121 D411 T414 V463H113-H117 PolarHBondContact O-N 2.96Å; A114-H117 WeakPolarHBondContact O-CB 3.36Å; A114-H117 PolarHBondContact O-N 3Å; A114-H117 VanDerWaalsContact O-N 3.12Å; D115-H117 VanDerWaalsContact C-N 3.35Å; D115-H117 PolarHBondContact O-N 3.5Å; H117-L119 VanDerWaalsContact C-N 3.28Å; H117-L119 PolarHBondContact O-N 3.06Å; H117-W120 PolarHBondContact O-N 3.46Å; H117-K121 VanDerWaalsContact O-CB 3.3Å; H117-K121 WeakPolarHBondContact O-CB 3.39Å; H117-K121 PolarHBondContact O-N 2.79Å; H117-D411 IonicContact NE2-OD1 3.25Å; H117-D411 PolarHBondContact NE2-OD1 3.36Å; H117-T414 PolarHBondContact NE2-OG1 3.12Å; H117-T414 VanDerWaalsContact NE2-OG1 3.13Å; H117-V463 HydrophobicContact CB-CB 4.33Å; H117-V463 HydrophobicContact CB-CG1 3.64Å; H117-V463 VanDerWaalsContact CG-CG1 3.41Å
118D89.6Confident87.5Confident98 Ų9859.8 Ų59.852%0.52435%0.351SS..Hα-helixtrans-63.6-35.1177.5-76.4-23.1000112.1A114 D115 G122A114-D118 PolarHBondContact O-N 3.47Å; D115-D118 PolarHBondContact O-N 2.9Å; D118-G122 PolarHBondContact O-N 2.87Å
119L90.4Very high88.3Confident60 Ų6056.3 Ų56.331%0.31433%0.327SS..Hα-helixtrans-63.3-51172.8-177.8142.4000111.6L107 D115 A116 H117 K121 G122 L123L107-L119 HydrophobicContact CD1-CD1 4.23Å; L107-L119 HydrophobicContact CD1-CD2 4.26Å; D115-L119 WeakPolarHBondContact O-CB 3.24Å; D115-L119 PolarHBondContact O-N 3.23Å; A116-L119 PolarHBondContact O-N 3.37Å; H117-L119 VanDerWaalsContact C-N 3.28Å; H117-L119 PolarHBondContact O-N 3.06Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.35Å; L119-G122 PolarHBondContact O-N 3.24Å; L119-G122 VanDerWaalsContact O-N 3.14Å; L119-L123 HydrophobicContact CD2-CD1 3.65Å; L119-L123 HydrophobicContact CG-CD1 4.43Å; L119-L123 WeakPolarHBondContact O-CG 3.09Å; L119-L123 PolarHBondContact O-N 3.3Å
120W90.7Very high89.3Confident74 Ų7451.5 Ų51.528%0.2829%0.285SS..Hα-helixtrans-62.1-41.3177.5-66.9116.1000112.2V94 L100 A103 A116 H117 G122 L123 D124V94-W120 HydrophobicContact CG1-CE3 4.08Å; V94-W120 HydrophobicContact CG1-CZ3 3.63Å; L100-W120 HydrophobicContact CD1-CH2 3.64Å; L100-W120 HydrophobicContact CD1-CZ3 3.58Å; A103-W120 HydrophobicContact CB-CH2 4.02Å; A103-W120 HydrophobicContact CB-CZ3 4.04Å; A116-W120 PolarHBondContact O-N 3.23Å; A116-W120 VanDerWaalsContact O-N 3.12Å; H117-W120 PolarHBondContact O-N 3.46Å; W120-G122 VanDerWaalsContact C-N 3.3Å; W120-G122 PolarHBondContact O-N 3.49Å; W120-L123 HydrophobicContact CE3-CD1 3.94Å; W120-L123 HydrophobicContact CZ3-CD1 4.13Å; W120-L123 PolarHBondContact O-N 3Å; W120-D124 PolarHBondContact O-N 2.88Å
121K90.9Very high90.4Very high54 Ų5447.8 Ų47.824%0.23525%0.246CC..Hα-helixtrans-61.2-40.2174-178.8178174.2176.20111.7H117 L119 D124 R125 D407 D411H117-K121 VanDerWaalsContact O-CB 3.3Å; H117-K121 WeakPolarHBondContact O-CB 3.39Å; H117-K121 PolarHBondContact O-N 2.79Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.35Å; K121-D124 PolarHBondContact O-N 3.29Å; K121-R125 WeakPolarHBondContact O-CB 3.34Å; K121-R125 PolarHBondContact O-N 3.12Å; K121-D407 VanDerWaalsContact CE-CG 3.43Å; K121-D407 WeakPolarHBondContact CE-OD1 3.42Å; K121-D407 WeakPolarHBondContact CE-OD2 3.37Å; K121-D407 IonicContact NZ-OD1 2.72Å; K121-D407 PolarHBondContact NZ-OD1 3.25Å; K121-D407 IonicContact NZ-OD2 3.1Å; K121-D407 PolarHBondContact NZ-OD2 3.28Å; K121-D411 WeakPolarHBondContact CE-OD2 3.46Å; K121-D411 IonicContact NZ-OD2 2.7Å; K121-D411 PolarHBondContact NZ-OD2 3.07Å
122G90.2Very high91Very high22 Ų2245.1 Ų45.123%0.22723%0.233CC..Hα-helixtrans-60-46.1174.700000112.2D118 L119 W120 R125 Q126D118-G122 PolarHBondContact O-N 2.87Å; L119-G122 PolarHBondContact O-N 3.24Å; L119-G122 VanDerWaalsContact O-N 3.14Å; W120-G122 VanDerWaalsContact C-N 3.3Å; W120-G122 PolarHBondContact O-N 3.49Å; G122-R125 WeakPolarHBondContact O-CB 3.32Å; G122-R125 PolarHBondContact O-N 3.09Å; G122-Q126 WeakPolarHBondContact O-CG 3.43Å; G122-Q126 PolarHBondContact O-N 3.01Å
123L90.9Very high91.4Very high9 Ų942.7 Ų42.75%0.04722%0.216CC..Hα-helixtrans-65.4-42177.4-70.1171.2000112.6V94 A103 L119 W120 R125 Q126 H127V94-L123 HydrophobicContact CB-CB 4.48Å; V94-L123 HydrophobicContact CG1-CD1 4.35Å; V94-L123 HydrophobicContact CG2-CB 3.66Å; V94-L123 HydrophobicContact CG2-CD1 3.98Å; V94-L123 HydrophobicContact CG2-CD2 3.87Å; V94-L123 HydrophobicContact CG2-CG 4.02Å; A103-L123 HydrophobicContact CB-CD1 4.15Å; L119-L123 HydrophobicContact CD2-CD1 3.65Å; L119-L123 HydrophobicContact CG-CD1 4.43Å; L119-L123 WeakPolarHBondContact O-CG 3.09Å; L119-L123 PolarHBondContact O-N 3.3Å; W120-L123 HydrophobicContact CE3-CD1 3.94Å; W120-L123 HydrophobicContact CZ3-CD1 4.13Å; W120-L123 PolarHBondContact O-N 3Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 3.32Å; L123-Q126 PolarHBondContact O-N 2.97Å; L123-H127 WeakPolarHBondContact O-CB 3.5Å; L123-H127 PolarHBondContact O-N 3.14Å
124D90.7Very high91.8Very high79 Ų7936.3 Ų36.342%0.42219%0.186SC..Hα-helixtrans-63.4-40.1174.4-83.5-15.1000111.8W120 K121 H127 C128W120-D124 PolarHBondContact O-N 2.88Å; K121-D124 PolarHBondContact O-N 3.29Å; D124-H127 PolarHBondContact O-N 3.08Å; D124-C128 PolarHBondContact O-N 3.42Å; D124-C128 PolarHBondContact O-SG 3.35Å
125R91.8Very high92.3Very high106 Ų10634.9 Ų34.940%0.417%0.174SC..Hα-helixtrans-63-46.3174.4-180179.166.7153.5-1.4111.2K121 G122 L123 H127 C128 L129 A403 L406K121-R125 WeakPolarHBondContact O-CB 3.34Å; K121-R125 PolarHBondContact O-N 3.12Å; G122-R125 WeakPolarHBondContact O-CB 3.32Å; G122-R125 PolarHBondContact O-N 3.09Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 3.32Å; R125-H127 VanDerWaalsContact C-N 3.32Å; R125-H127 PolarHBondContact O-N 3.32Å; R125-C128 WeakPolarHBondContact O-CB 3.48Å; R125-C128 PolarHBondContact O-N 2.87Å; R125-L129 HydrophobicContact CG-CD1 4.49Å; R125-L129 WeakPolarHBondContact O-CG 3.37Å; R125-L129 PolarHBondContact O-N 3.46Å; R125-A403 HydrophobicContact CG-CB 4.25Å; R125-L406 HydrophobicContact CG-CD1 4.19Å
126Q91Very high92.5Very high56 Ų5630.7 Ų30.726%0.26215%0.151SC..Hα-helixtrans-58.8-44.8174.9-76.9179.4-15.500111.1D73 G122 L123 C128 L129 H130D73-Q126 PolarHBondContact OD1-NE2 3.05Å; D73-Q126 PolarHBondContact OD1-OE1 2.96Å; G122-Q126 WeakPolarHBondContact O-CG 3.43Å; G122-Q126 PolarHBondContact O-N 3.01Å; L123-Q126 PolarHBondContact O-N 2.97Å; Q126-C128 VanDerWaalsContact C-N 3.3Å; Q126-C128 PolarHBondContact O-N 2.63Å; Q126-L129 PolarHBondContact O-N 2.83Å; Q126-H130 PolarHBondContact O-N 3.06Å; Q126-H130 PolarHBondContact O-ND1 3.08Å
127H93.1Very high92.7Very high9 Ų929.9 Ų29.94%0.04215%0.145CC..Hα-helixtrans-57.5-43.5176.3175.751.3000111.6S93 L123 D124 R125 L129 H130 L131S93-H127 WeakPolarHBondContact CB-ND1 3.46Å; S93-H127 PolarHBondContact OG-CE1 3.39Å; S93-H127 PolarHBondContact OG-ND1 3.02Å; L123-H127 WeakPolarHBondContact O-CB 3.5Å; L123-H127 PolarHBondContact O-N 3.14Å; D124-H127 PolarHBondContact O-N 3.08Å; R125-H127 VanDerWaalsContact C-N 3.32Å; R125-H127 PolarHBondContact O-N 3.32Å; H127-L129 PolarHBondContact O-N 3.25Å; H127-H130 PolarHBondContact O-N 3.32Å; H127-L131 VanDerWaalsContact O-CB 3.26Å; H127-L131 WeakPolarHBondContact O-CB 3.29Å; H127-L131 PolarHBondContact O-N 3.38Å
128C94.4Very high92.9Very high1 Ų128.1 Ų28.11%0.00714%0.137CC..Hα-helixtrans-62.5-40.8177.1-68.20000112.8D124 R125 Q126 L131 L132 L157 L161 L406D124-C128 PolarHBondContact O-N 3.42Å; D124-C128 PolarHBondContact O-SG 3.35Å; R125-C128 WeakPolarHBondContact O-CB 3.48Å; R125-C128 PolarHBondContact O-N 2.87Å; Q126-C128 VanDerWaalsContact C-N 3.3Å; Q126-C128 PolarHBondContact O-N 2.63Å; C128-L131 PolarHBondContact O-N 2.82Å; C128-L132 WeakPolarHBondContact O-CB 3.43Å; C128-L132 PolarHBondContact O-N 3.22Å; C128-L157 VanDerWaalsContact SG-CD1 3.57Å; C128-L161 HydrophobicContact CB-CD2 3.91Å; C128-L161 WeakPolarHBondContact O-CD2 3.47Å; C128-L406 HydrophobicContact CB-CD1 3.68Å; C128-L406 HydrophobicContact CB-CD2 4.41Å
129L93.7Very high93.2Very high7 Ų723.5 Ų23.54%0.03711%0.112CC..Hα-helixtrans-66.4-44.2178.7-68.7171.1000111.9R125 Q126 H127 L131 L132 Y133 L164 V399R125-L129 HydrophobicContact CG-CD1 4.49Å; R125-L129 WeakPolarHBondContact O-CG 3.37Å; R125-L129 PolarHBondContact O-N 3.46Å; Q126-L129 PolarHBondContact O-N 2.83Å; H127-L129 PolarHBondContact O-N 3.25Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-L131 PolarHBondContact O-N 3.06Å; L129-L132 PolarHBondContact O-N 3.11Å; L129-Y133 PolarHBondContact O-N 2.85Å; L129-L164 HydrophobicContact CD2-CD2 4.17Å; L129-V399 HydrophobicContact CD2-CG1 4.5Å
130H93.9Very high93.4Very high12 Ų1220.6 Ų20.66%0.05610%0.097CC..Hα-helixtrans-63.2-40.1174.9-7387.7000112S74 L91 Q126 H127 Y133 M134 I385S74-H130 PolarHBondContact O-CE1 2.89Å; S74-H130 VanDerWaalsContact O-CE1 3.31Å; S74-H130 PolarHBondContact O-NE2 2.88Å; L91-H130 HydrophobicContact CD1-CB 3.63Å; L91-H130 HydrophobicContact CD2-CB 4.24Å; Q126-H130 PolarHBondContact O-N 3.06Å; Q126-H130 PolarHBondContact O-ND1 3.08Å; H127-H130 PolarHBondContact O-N 3.32Å; H130-Y133 WeakPolarHBondContact O-CB 3.29Å; H130-Y133 PolarHBondContact O-N 3.18Å; H130-M134 WeakPolarHBondContact O-CG 3.48Å; H130-M134 PolarHBondContact O-N 3.23Å; H130-I385 WeakPolarHBondContact NE2-CG2 3.4Å
131L95.1Very high93.7Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-67.5-42.6177.8-172.152.1000110.9F37 L91 H127 C128 L129 Y133 M134 F135 L157 L161F37-L131 HydrophobicContact CB-CD1 4.39Å; F37-L131 HydrophobicContact CD1-CD1 3.78Å; F37-L131 HydrophobicContact CD2-CD1 3.8Å; F37-L131 HydrophobicContact CD2-CD2 4.32Å; F37-L131 HydrophobicContact CE1-CD1 3.89Å; F37-L131 HydrophobicContact CE2-CD1 3.93Å; F37-L131 HydrophobicContact CE2-CD2 4.17Å; F37-L131 HydrophobicContact CG-CD1 3.73Å; F37-L131 HydrophobicContact CZ-CD1 3.97Å; L91-L131 HydrophobicContact CD2-CB 4.31Å; L91-L131 HydrophobicContact CD2-CD1 4.44Å; H127-L131 VanDerWaalsContact O-CB 3.26Å; H127-L131 WeakPolarHBondContact O-CB 3.29Å; H127-L131 PolarHBondContact O-N 3.38Å; C128-L131 PolarHBondContact O-N 2.82Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-L131 PolarHBondContact O-N 3.06Å; L131-Y133 VanDerWaalsContact C-N 3.28Å; L131-Y133 PolarHBondContact O-N 3.49Å; L131-M134 HydrophobicContact CD1-SD 4.43Å; L131-M134 WeakPolarHBondContact O-CB 3.3Å; L131-M134 PolarHBondContact O-N 3.34Å; L131-M134 VanDerWaalsContact O-N 3.11Å; L131-F135 HydrophobicContact CD1-CD2 3.97Å; L131-F135 HydrophobicContact CD1-CE2 3.55Å; L131-F135 HydrophobicContact CD2-CE2 4.24Å; L131-F135 HydrophobicContact CG-CD2 3.93Å; L131-F135 HydrophobicContact CG-CE2 3.61Å; L131-F135 WeakPolarHBondContact O-CD2 3.29Å; L131-F135 PolarHBondContact O-N 3.19Å; L131-L157 HydrophobicContact CD2-CD2 3.86Å; L131-L161 HydrophobicContact CB-CD1 4.37Å; L131-L161 HydrophobicContact CD2-CD1 3.54Å; L131-L161 HydrophobicContact CG-CD1 3.79Å
132L95.4Very high93.9Very high0 Ų014.9 Ų14.90%07%0.074CC..Hα-helixtrans-58.1-40.6172.6178.462.3000112C128 L129 F135 S136 L161 L164 R165 V168 L384C128-L132 WeakPolarHBondContact O-CB 3.43Å; C128-L132 PolarHBondContact O-N 3.22Å; L129-L132 PolarHBondContact O-N 3.11Å; L132-F135 PolarHBondContact O-N 3.36Å; L132-S136 PolarHBondContact O-N 3.48Å; L132-S136 VanDerWaalsContact O-N 3.15Å; L132-S136 PolarHBondContact O-OG 3.02Å; L132-L161 HydrophobicContact CB-CD2 4.25Å; L132-L164 HydrophobicContact CD2-CD2 3.87Å; L132-L164 HydrophobicContact CD2-CG 3.97Å; L132-R165 HydrophobicContact CD1-CB 3.71Å; L132-R165 HydrophobicContact CD1-CG 4.06Å; L132-V168 HydrophobicContact CD2-CG1 4.47Å; L132-L384 HydrophobicContact CD2-CD2 4.43Å
133Y95.2Very high94.2Very high0 Ų013.9 Ų13.90%06%0.064CC..Hα-helixtrans-58.1-49.3173.3175.3-90.5000110.9L12 L129 H130 L131 F135 S136 V137 A377 L380 Y381 L384 I385L12-Y133 HydrophobicContact CD2-CD1 4.43Å; L12-Y133 HydrophobicContact CD2-CE1 3.49Å; L12-Y133 VanDerWaalsContact CD2-CE1 3.49Å; L129-Y133 PolarHBondContact O-N 2.85Å; H130-Y133 WeakPolarHBondContact O-CB 3.29Å; H130-Y133 PolarHBondContact O-N 3.18Å; L131-Y133 VanDerWaalsContact C-N 3.28Å; L131-Y133 PolarHBondContact O-N 3.49Å; Y133-F135 PolarHBondContact O-N 3.23Å; Y133-S136 WeakPolarHBondContact O-CA 3.49Å; Y133-S136 WeakPolarHBondContact O-CB 3.26Å; Y133-S136 PolarHBondContact O-N 3.05Å; Y133-V137 HydrophobicContact CD1-CG2 4.13Å; Y133-V137 HydrophobicContact CE1-CG1 4.43Å; Y133-V137 HydrophobicContact CE1-CG2 3.76Å; Y133-V137 HydrophobicContact CE2-CG1 4.18Å; Y133-V137 WeakPolarHBondContact O-CG2 3.36Å; Y133-V137 PolarHBondContact O-N 3.45Å; Y133-V137 VanDerWaalsContact O-N 3.16Å; Y133-A377 WeakPolarHBondContact CE2-O 3.5Å; Y133-A377 WeakPolarHBondContact OH-CB 3.47Å; Y133-A377 PolarHBondContact OH-O 3.14Å; Y133-L380 HydrophobicContact CD2-CB 4.05Å; Y133-L380 HydrophobicContact CE2-CB 3.73Å; Y133-Y381 HydrophobicContact CE2-CD2 4.27Å; Y133-L384 HydrophobicContact CD2-CD1 4.14Å; Y133-I385 HydrophobicContact CD1-CD1 4.36Å; Y133-I385 HydrophobicContact CD2-CD1 4.26Å; Y133-I385 HydrophobicContact CG-CD1 3.97Å
134M95.1Very high94.3Very high0 Ų013.6 Ų13.60%06%0.062CC..Hα-helixtrans-58.6-44.2176.7-66179.680.300112.8F37 L89 L91 H130 L131 S136 V137 C138 L141F37-M134 HydrophobicContact CB-CE 4.44Å; F37-M134 HydrophobicContact CB-SD 4.28Å; F37-M134 HydrophobicContact CD1-CE 4.49Å; L89-M134 HydrophobicContact CB-CE 4.44Å; L89-M134 WeakPolarHBondContact O-CE 3.46Å; L91-M134 HydrophobicContact CB-CE 4.23Å; L91-M134 HydrophobicContact CB-SD 3.43Å; L91-M134 WeakPolarHBondContact CB-SD 3.39Å; L91-M134 HydrophobicContact CD2-SD 3.73Å; L91-M134 HydrophobicContact CG-SD 4.19Å; H130-M134 WeakPolarHBondContact O-CG 3.48Å; H130-M134 PolarHBondContact O-N 3.23Å; L131-M134 HydrophobicContact CD1-SD 4.43Å; L131-M134 WeakPolarHBondContact O-CB 3.3Å; L131-M134 PolarHBondContact O-N 3.34Å; L131-M134 VanDerWaalsContact O-N 3.11Å; M134-S136 PolarHBondContact O-N 3.38Å; M134-S136 VanDerWaalsContact O-N 3.15Å; M134-V137 PolarHBondContact O-N 2.91Å; M134-C138 VanDerWaalsContact O-CB 3.23Å; M134-C138 WeakPolarHBondContact O-CB 3.27Å; M134-C138 PolarHBondContact O-N 2.88Å; M134-C138 PolarHBondContact O-SG 3.03Å; M134-L141 HydrophobicContact CB-CD2 4.18Å; M134-L141 HydrophobicContact CE-CD2 4.3Å
135F95.4Very high94.4Very high3 Ų310.6 Ų10.61%0.0135%0.046CC..Hα-helixtrans-62.8-17.2175.2-80.9-79.6000113.6F37 L131 L132 Y133 L141 F158 L161 P194 L257 F258F37-F135 HydrophobicContact CZ-CZ 4.32Å; L131-F135 HydrophobicContact CD1-CD2 3.97Å; L131-F135 HydrophobicContact CD1-CE2 3.55Å; L131-F135 HydrophobicContact CD2-CE2 4.24Å; L131-F135 HydrophobicContact CG-CD2 3.93Å; L131-F135 HydrophobicContact CG-CE2 3.61Å; L131-F135 WeakPolarHBondContact O-CD2 3.29Å; L131-F135 PolarHBondContact O-N 3.19Å; L132-F135 PolarHBondContact O-N 3.36Å; Y133-F135 PolarHBondContact O-N 3.23Å; F135-L141 HydrophobicContact CD1-CD1 3.29Å; F135-L141 HydrophobicContact CD2-CD1 4.25Å; F135-L141 HydrophobicContact CE1-CD1 3.22Å; F135-L141 HydrophobicContact CE2-CD1 4.2Å; F135-L141 HydrophobicContact CG-CD1 3.81Å; F135-L141 HydrophobicContact CZ-CD1 3.71Å; F135-F158 HydrophobicContact CE2-CD1 4.45Å; F135-F158 HydrophobicContact CE2-CE1 4.16Å; F135-F158 HydrophobicContact CZ-CD1 4.17Å; F135-F158 AromaticContact CZ-CE1 3.8Å; F135-F158 HydrophobicContact CZ-CE1 3.8Å; F135-L161 HydrophobicContact CE2-CD1 4.26Å; F135-P194 HydrophobicContact CD1-CG 3.77Å; F135-P194 HydrophobicContact CE1-CG 4.46Å; F135-L257 HydrophobicContact CB-CD1 4Å; F135-L257 HydrophobicContact CD1-CD1 4Å; F135-L257 HydrophobicContact CD1-CD2 4.3Å; F135-L257 HydrophobicContact CD1-CG 3.71Å; F135-L257 HydrophobicContact CD2-CD1 4.43Å; F135-L257 HydrophobicContact CD2-CD2 4.36Å; F135-L257 HydrophobicContact CD2-CG 4.47Å; F135-L257 HydrophobicContact CE1-CD2 4.18Å; F135-L257 HydrophobicContact CE1-CG 3.93Å; F135-L257 HydrophobicContact CE2-CD2 4.24Å; F135-L257 HydrophobicContact CG-CD1 3.9Å; F135-L257 HydrophobicContact CG-CD2 4.43Å; F135-L257 HydrophobicContact CG-CG 4.05Å; F135-L257 HydrophobicContact CZ-CD2 4.17Å; F135-L257 HydrophobicContact CZ-CG 4.41Å; F135-F258 HydrophobicContact CD1-CB 4.34Å; F135-F258 HydrophobicContact CE1-CB 3.8Å; F135-F258 AromaticContact CE1-CD1 3.72Å; F135-F258 HydrophobicContact CE1-CD1 3.72Å; F135-F258 HydrophobicContact CE1-CG 4.13Å; F135-F258 HydrophobicContact CZ-CD1 4.17Å
136S93.9Very high94.2Very high1 Ų16.8 Ų6.81%0.0074%0.035CC..Hα-helixtrans-95.2-20.9-179.9-52.60000113.2L132 Y133 M134 R190 P191L132-S136 PolarHBondContact O-N 3.48Å; L132-S136 VanDerWaalsContact O-N 3.15Å; L132-S136 PolarHBondContact O-OG 3.02Å; Y133-S136 WeakPolarHBondContact O-CA 3.49Å; Y133-S136 WeakPolarHBondContact O-CB 3.26Å; Y133-S136 PolarHBondContact O-N 3.05Å; M134-S136 PolarHBondContact O-N 3.38Å; M134-S136 VanDerWaalsContact O-N 3.15Å; S136-R190 VanDerWaalsContact O-CA 3.3Å; S136-R190 WeakPolarHBondContact O-CA 3.48Å; S136-P191 VanDerWaalsContact O-CD 3.32Å; S136-P191 WeakPolarHBondContact O-CD 3.36Å
137V93.9Very high94Very high0 Ų05.4 Ų5.40%03%0.031CC..Hα-helixtrans-119.6-11.1-174.7-57.10000115.2L89 Y133 M134 W373 L380L89-V137 HydrophobicContact CD1-CG2 3.91Å; Y133-V137 HydrophobicContact CD1-CG2 4.13Å; Y133-V137 HydrophobicContact CE1-CG1 4.43Å; Y133-V137 HydrophobicContact CE1-CG2 3.76Å; Y133-V137 HydrophobicContact CE2-CG1 4.18Å; Y133-V137 WeakPolarHBondContact O-CG2 3.36Å; Y133-V137 PolarHBondContact O-N 3.45Å; Y133-V137 VanDerWaalsContact O-N 3.16Å; M134-V137 PolarHBondContact O-N 2.91Å; V137-W373 HydrophobicContact CB-CZ2 4.24Å; V137-W373 HydrophobicContact CG2-CZ2 4.13Å; V137-W373 PolarHBondContact O-NE1 3.15Å; V137-L380 HydrophobicContact CG1-CD1 3.67Å
138C95.8Very high93.6Very high0 Ų07.5 Ų7.50%04%0.041CC..  trans-96.6154.7-177.5-59.80000112.8V33 M134 L141V33-C138 HydrophobicContact CG1-CB 4.43Å; M134-C138 VanDerWaalsContact O-CB 3.23Å; M134-C138 WeakPolarHBondContact O-CB 3.27Å; M134-C138 PolarHBondContact O-N 2.88Å; M134-C138 PolarHBondContact O-SG 3.03Å; C138-L141 HydrophobicContact CB-CD2 3.62Å; C138-L141 HydrophobicContact CB-CG 4.16Å
139H95Very high93.4Very high0 Ų011.5 Ų11.50%07%0.066CC..SBendtrans-95.2-44169.3-58.685.2000110.9V33 P194 R195 V346 F352 E366V33-H139 PolarHBondContact N-ND1 3.46Å; V33-H139 PolarHBondContact O-N 3.44Å; H139-P194 WeakPolarHBondContact O-CA 3.43Å; H139-R195 PolarHBondContact O-N 2.76Å; H139-V346 HydrophobicContact CB-CG1 4.35Å; H139-V346 HydrophobicContact CB-CG2 4.11Å; H139-F352 HydrophobicContact CB-CE2 4.4Å; H139-F352 VanDerWaalsContact O-CE2 3.29Å; H139-F352 WeakPolarHBondContact O-CE2 3.37Å; H139-E366 PolarHBondContact NE2-O 3.29Å
140V96Very high93.4Very high0 Ų012.1 Ų12.10%07%0.068CC..EExtended strand (participates in β ladder)trans-122.2140.8178.6-178.10000108.5V33 V34 G35 L197 L339 H342 F352V33-V140 PolarHBondContact O-N 3.12Å; V34-V140 CarbonylContact C-O 3.58Å; V34-V140 WeakPolarHBondContact CA-O 3.28Å; V34-V140 HydrophobicContact CG2-CB 4.38Å; G35-V140 PolarHBondContact N-O 2.82Å; V140-L197 HydrophobicContact CG1-CD1 3.63Å; V140-L197 HydrophobicContact CG1-CG 4.02Å; V140-L339 HydrophobicContact CG1-CD1 4.14Å; V140-H342 HydrophobicContact CG2-CB 4.38Å; V140-F352 HydrophobicContact CG2-CE2 4.46Å; V140-F352 HydrophobicContact CG2-CZ 3.82Å
141L96.9Very high93.4Very high0 Ų013.2 Ų13.20%07%0.074CC..EExtended strand (participates in β ladder)trans-123.3129.6177.1-69.8174.6000109.7G35 F37 M134 F135 C138 P194 R195 L196 L197G35-L141 CarbonylContact O-C 3.56Å; G35-L141 WeakPolarHBondContact O-CA 3.38Å; F37-L141 HydrophobicContact CE1-CB 4.1Å; F37-L141 HydrophobicContact CE1-CD1 4.46Å; M134-L141 HydrophobicContact CB-CD2 4.18Å; M134-L141 HydrophobicContact CE-CD2 4.3Å; F135-L141 HydrophobicContact CD1-CD1 3.29Å; F135-L141 HydrophobicContact CD2-CD1 4.25Å; F135-L141 HydrophobicContact CE1-CD1 3.22Å; F135-L141 HydrophobicContact CE2-CD1 4.2Å; F135-L141 HydrophobicContact CG-CD1 3.81Å; F135-L141 HydrophobicContact CZ-CD1 3.71Å; C138-L141 HydrophobicContact CB-CD2 3.62Å; C138-L141 HydrophobicContact CB-CG 4.16Å; L141-P194 HydrophobicContact CD1-CB 3.98Å; L141-P194 HydrophobicContact CD1-CG 4.02Å; L141-P194 HydrophobicContact CG-CB 4.19Å; L141-R195 PolarHBondContact N-O 3.23Å; L141-L196 HydrophobicContact CB-CD1 3.68Å; L141-L196 WeakPolarHBondContact O-CA 3.32Å; L141-L197 PolarHBondContact O-N 3.32Å
142L95.4Very high93.3Very high8 Ų817.4 Ų17.44%0.04210%0.1CC..EExtended strand (participates in β ladder)trans-106.1115.1175.7-63.6-176.7000109.4V34 G35 V36 F37 L55 L197 V199 L339V34-L142 HydrophobicContact CG1-CD1 4.04Å; V34-L142 HydrophobicContact CG1-CG 4.08Å; G35-L142 PolarHBondContact O-N 3.45Å; V36-L142 WeakPolarHBondContact CA-O 3.42Å; V36-L142 HydrophobicContact CG1-CB 4.43Å; V36-L142 HydrophobicContact CG2-CB 4.28Å; V36-L142 HydrophobicContact CG2-CD1 4.22Å; F37-L142 PolarHBondContact N-O 3.03Å; F37-L142 VanDerWaalsContact O-O 3.07Å; L55-L142 HydrophobicContact CD1-CD1 4.4Å; L142-L197 WeakPolarHBondContact CA-O 3.43Å; L142-L197 HydrophobicContact CD2-CB 3.67Å; L142-L197 HydrophobicContact CD2-CD1 3.76Å; L142-L197 HydrophobicContact CD2-CG 4.14Å; L142-V199 HydrophobicContact CD2-CG2 4.49Å; L142-L339 HydrophobicContact CD1-CD1 4.28Å; L142-L339 HydrophobicContact CD1-CD2 4.28Å; L142-L339 HydrophobicContact CD2-CD1 4.14Å; L142-L339 HydrophobicContact CG-CD1 4.49Å
143L95.5Very high93.2Very high1 Ų121.1 Ų21.11%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-92.7114.4170.2-169.8158.3000109.5F37 H145 Y154 F158 L196 L197 F198 V199F37-L143 HydrophobicContact CD2-CG 4.48Å; F37-L143 HydrophobicContact CE2-CB 4.27Å; F37-L143 HydrophobicContact CE2-CD1 3.7Å; F37-L143 HydrophobicContact CE2-CG 3.91Å; F37-L143 HydrophobicContact CZ-CB 4.12Å; F37-L143 HydrophobicContact CZ-CD1 3.98Å; F37-L143 HydrophobicContact CZ-CG 4.24Å; F37-L143 CarbonylContact O-C 3.54Å; F37-L143 WeakPolarHBondContact O-CA 3.34Å; L143-H145 HydrophobicContact CD2-CB 4.13Å; L143-Y154 HydrophobicContact CD1-CD1 3.84Å; L143-Y154 HydrophobicContact CD1-CD2 4.1Å; L143-Y154 HydrophobicContact CD1-CE1 3.83Å; L143-Y154 HydrophobicContact CD1-CE2 4.09Å; L143-Y154 HydrophobicContact CD1-CG 3.99Å; L143-Y154 HydrophobicContact CD2-CE2 4.06Å; L143-F158 HydrophobicContact CD1-CZ 4Å; L143-L196 HydrophobicContact CB-CD1 4.23Å; L143-L197 PolarHBondContact N-O 3.4Å; L143-F198 HydrophobicContact CB-CD1 4.03Å; L143-F198 HydrophobicContact CB-CE1 4.28Å; L143-F198 HydrophobicContact CD1-CD1 4.27Å; L143-F198 HydrophobicContact CD1-CE1 3.94Å; L143-F198 HydrophobicContact CD2-CD1 4.18Å; L143-F198 HydrophobicContact CG-CD1 4.39Å; L143-V199 PolarHBondContact O-N 3.43Å
144V92.9Very high93.2Very high2 Ų221.3 Ų21.31%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-96.9131178.6-175.10000110V36 F37 G38 K39 L47 K48 L51 V199V36-V144 HydrophobicContact CG1-CG2 3.83Å; F37-V144 PolarHBondContact O-N 3.46Å; G38-V144 CarbonylContact C-O 3.5Å; G38-V144 VanDerWaalsContact CA-O 3.26Å; G38-V144 WeakPolarHBondContact CA-O 3.5Å; K39-V144 PolarHBondContact N-O 2.89Å; L47-V144 HydrophobicContact CB-CG1 4.32Å; K48-V144 HydrophobicContact CG-CB 4.19Å; K48-V144 HydrophobicContact CG-CG1 4.42Å; K48-V144 HydrophobicContact CG-CG2 4.17Å; L51-V144 HydrophobicContact CD1-CB 4.22Å; L51-V144 HydrophobicContact CD1-CG1 3.7Å; L51-V144 HydrophobicContact CD1-CG2 3.41Å; L51-V144 VanDerWaalsContact CD1-CG2 3.41Å; V144-V199 WeakPolarHBondContact CA-O 3.23Å; V144-V199 HydrophobicContact CG2-CB 4.46Å
145H92.1Very high93.1Very high16 Ų1622.1 Ų22.17%0.07413%0.128CC..EExtended strand (participates in β ladder)trans-138.6132.4178.2-168.2-105.2000111.2L143 S147 T149 V199 F200 Q201L143-H145 HydrophobicContact CD2-CB 4.13Å; H145-S147 PolarHBondContact CE1-OG 3.26Å; H145-S147 PolarHBondContact ND1-O 3.12Å; H145-S147 PolarHBondContact ND1-OG 3.38Å; H145-S147 PolarHBondContact O-N 2.87Å; H145-S147 VanDerWaalsContact O-N 3.12Å; H145-T149 PolarHBondContact CE1-O 2.81Å; H145-T149 VanDerWaalsContact CE1-O 3.32Å; H145-T149 PolarHBondContact ND1-O 3.49Å; H145-V199 PolarHBondContact N-O 2.96Å; H145-F200 HydrophobicContact CB-CD1 3.75Å; H145-F200 HydrophobicContact CB-CE1 3.9Å; H145-F200 WeakPolarHBondContact O-CA 3.31Å; H145-Q201 PolarHBondContact O-N 3.46Å
146P88.1Confident93.1Very high26 Ų2628 Ų2817%0.16915%0.15CC..SBendtrans-78.75.7-170.833-36.7000113.7K39 L47 N203K39-P146 WeakPolarHBondContact O-CD 3.3Å; L47-P146 HydrophobicContact CD1-CB 3.91Å; P146-N203 PolarHBondContact O-OD1 2.84Å
147S86.7Confident93.1Very high28 Ų2828.8 Ų28.820%0.19615%0.154CC..SBendtrans-133.9158.7178.570.40000111.8H145 T149 F200 Q201H145-S147 PolarHBondContact CE1-OG 3.26Å; H145-S147 PolarHBondContact ND1-O 3.12Å; H145-S147 PolarHBondContact ND1-OG 3.38Å; H145-S147 PolarHBondContact O-N 2.87Å; H145-S147 VanDerWaalsContact O-N 3.12Å; S147-T149 PolarHBondContact O-N 2.68Å; S147-T149 VanDerWaalsContact O-N 3.15Å; S147-T149 PolarHBondContact OG-OG1 3.45Å; S147-F200 WeakPolarHBondContact O-CD1 3.42Å; S147-Q201 CarbonylContact C-O 3.49Å
148Q85.8Confident93.2Very high52 Ų5228.8 Ų28.824%0.24315%0.154CC..SBendtrans-77.613.3-178.467.7-169.914.100115.2Q201 L231Q148-Q201 PolarHBondContact N-O 3.4Å; Q148-L231 HydrophobicContact CB-CD2 4.38Å
149T90.3Very high93.2Very high86 Ų8632.9 Ų32.953%0.52817%0.169SC..SBendtrans-122.6136-179.851.20000110.1H145 S147 D151H145-T149 PolarHBondContact CE1-O 2.81Å; H145-T149 VanDerWaalsContact CE1-O 3.32Å; H145-T149 PolarHBondContact ND1-O 3.49Å; S147-T149 PolarHBondContact O-N 2.68Å; S147-T149 VanDerWaalsContact O-N 3.15Å; S147-T149 PolarHBondContact OG-OG1 3.45Å; T149-D151 PolarHBondContact O-N 2.7Å
150F93Very high93.2Very high19 Ų1932.9 Ų32.98%0.08317%0.169CC..  trans-69.9129.9174.8178.1-103.9000110.9F198 F200 I239 I242 F243F150-F198 HydrophobicContact CD2-CD1 4.4Å; F150-F198 HydrophobicContact CD2-CE1 4.26Å; F150-F198 HydrophobicContact CE2-CD1 4.31Å; F150-F198 AromaticContact CE2-CE1 3.76Å; F150-F198 HydrophobicContact CE2-CE1 3.76Å; F150-F200 HydrophobicContact CB-CZ 4.27Å; F150-F200 HydrophobicContact CD2-CZ 4.23Å; F150-I239 HydrophobicContact CB-CD1 4.46Å; F150-I239 HydrophobicContact CB-CG1 4.03Å; F150-I239 HydrophobicContact CD1-CG1 4.4Å; F150-I239 HydrophobicContact CD2-CD1 4.01Å; F150-I239 HydrophobicContact CD2-CG1 3.77Å; F150-I239 HydrophobicContact CE2-CG1 4.37Å; F150-I239 HydrophobicContact CG-CD1 4.39Å; F150-I239 HydrophobicContact CG-CG1 3.79Å; F150-I242 HydrophobicContact CD1-CD1 3.75Å; F150-I242 HydrophobicContact CE1-CD1 4.14Å; F150-I242 HydrophobicContact CE1-CG2 4.27Å; F150-F243 HydrophobicContact CE1-CE1 4.32Å; F150-F243 HydrophobicContact CE1-CZ 4.36Å; F150-F243 AromaticContact CE2-CZ 3.97Å; F150-F243 HydrophobicContact CE2-CZ 3.97Å; F150-F243 AromaticContact CZ-CE1 3.73Å; F150-F243 HydrophobicContact CZ-CE1 3.73Å; F150-F243 HydrophobicContact CZ-CE2 4.46Å; F150-F243 AromaticContact CZ-CZ 3.47Å; F150-F243 HydrophobicContact CZ-CZ 3.47Å; F150-F243 VanDerWaalsContact CZ-CZ 3.47Å
151D94.3Very high93.1Very high35 Ų3532.9 Ų32.919%0.18717%0.169CC..  trans-85.5113.3178-179-6.8000110.9K39 T149 T153 Y154K39-D151 IonicContact NZ-OD2 3.06Å; K39-D151 PolarHBondContact NZ-OD2 3.32Å; T149-D151 PolarHBondContact O-N 2.7Å; D151-T153 PolarHBondContact O-N 2.8Å; D151-T153 VanDerWaalsContact OD1-CB 3.3Å; D151-T153 WeakPolarHBondContact OD1-CB 3.32Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.41Å; D151-T153 PolarHBondContact OD1-N 3.42Å; D151-T153 PolarHBondContact OD1-OG1 2.86Å; D151-T153 PolarHBondContact OD2-OG1 2.99Å; D151-Y154 HydrophobicContact CB-CD2 3.9Å; D151-Y154 HydrophobicContact CB-CE2 4.11Å; D151-Y154 WeakPolarHBondContact O-CD2 3.43Å; D151-Y154 PolarHBondContact O-N 2.99Å
152V93.1Very high93Very high89 Ų8934.8 Ų34.854%0.53918%0.18SC..THydrogen-bonded Turntrans-66.3-15.8-178.3-175.40000112.5Y154 D155V152-Y154 PolarHBondContact O-N 2.84Å; V152-D155 VanDerWaalsContact O-CB 3.31Å; V152-D155 WeakPolarHBondContact O-CB 3.4Å; V152-D155 PolarHBondContact O-N 2.76Å; V152-D155 VanDerWaalsContact O-N 3.07Å
153T93Very high93Very high78 Ų7835.4 Ų35.448%0.47919%0.186SC..Hα-helixtrans-62.4-29.2174.862.20000112.6D151 D155 R156 L157D151-T153 PolarHBondContact O-N 2.8Å; D151-T153 VanDerWaalsContact OD1-CB 3.3Å; D151-T153 WeakPolarHBondContact OD1-CB 3.32Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.41Å; D151-T153 PolarHBondContact OD1-N 3.42Å; D151-T153 PolarHBondContact OD1-OG1 2.86Å; D151-T153 PolarHBondContact OD2-OG1 2.99Å; T153-D155 VanDerWaalsContact C-N 3.27Å; T153-D155 PolarHBondContact O-N 2.87Å; T153-R156 WeakPolarHBondContact O-CB 3.31Å; T153-R156 PolarHBondContact O-N 3.15Å; T153-L157 PolarHBondContact O-N 3.45Å
154Y94.7Very high93Very high4 Ų435.3 Ų35.32%0.01619%0.185CC..Hα-helixtrans-61.8-31.8173-76-68.1000113.3F37 K39 L143 D151 V152 R156 L157 F158F37-Y154 HydrophobicContact CE2-CE1 4.32Å; K39-Y154 WeakPolarHBondContact CG-OH 3.49Å; L143-Y154 HydrophobicContact CD1-CD1 3.84Å; L143-Y154 HydrophobicContact CD1-CD2 4.1Å; L143-Y154 HydrophobicContact CD1-CE1 3.83Å; L143-Y154 HydrophobicContact CD1-CE2 4.09Å; L143-Y154 HydrophobicContact CD1-CG 3.99Å; L143-Y154 HydrophobicContact CD2-CE2 4.06Å; D151-Y154 HydrophobicContact CB-CD2 3.9Å; D151-Y154 HydrophobicContact CB-CE2 4.11Å; D151-Y154 WeakPolarHBondContact O-CD2 3.43Å; D151-Y154 PolarHBondContact O-N 2.99Å; V152-Y154 PolarHBondContact O-N 2.84Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 3.12Å; Y154-L157 HydrophobicContact CD1-CD2 3.92Å; Y154-L157 HydrophobicContact CE1-CD2 4.21Å; Y154-L157 PolarHBondContact O-N 3.15Å; Y154-F158 HydrophobicContact CD1-CE2 4.5Å; Y154-F158 HydrophobicContact CD1-CZ 4.08Å; Y154-F158 HydrophobicContact CG-CE2 4.47Å; Y154-F158 HydrophobicContact CG-CZ 4.46Å; Y154-F158 WeakPolarHBondContact O-CB 3.38Å; Y154-F158 WeakPolarHBondContact O-CD2 3.45Å; Y154-F158 VanDerWaalsContact O-CG 3.24Å; Y154-F158 WeakPolarHBondContact O-CG 3.1Å; Y154-F158 PolarHBondContact O-N 2.97Å
155D94.5Very high93Very high16 Ų1636.1 Ų36.19%0.08619%0.188CC..Hα-helixtrans-63.3-40.4176.5176.251.3000111.5V152 T153 R159 I242 F243 S246V152-D155 VanDerWaalsContact O-CB 3.31Å; V152-D155 WeakPolarHBondContact O-CB 3.4Å; V152-D155 PolarHBondContact O-N 2.76Å; V152-D155 VanDerWaalsContact O-N 3.07Å; T153-D155 VanDerWaalsContact C-N 3.27Å; T153-D155 PolarHBondContact O-N 2.87Å; D155-R159 WeakPolarHBondContact O-CG 3.45Å; D155-R159 PolarHBondContact O-N 2.76Å; D155-R159 IonicContact OD1-NH1 2.92Å; D155-R159 PolarHBondContact OD1-NH1 2.6Å; D155-R159 IonicContact OD2-CZ 2.81Å; D155-R159 IonicContact OD2-NH1 3.24Å; D155-R159 PolarHBondContact OD2-NH1 2.96Å; D155-R159 IonicContact OD2-NH2 3.61Å; D155-I242 HydrophobicContact CB-CG2 4.2Å; D155-F243 HydrophobicContact CB-CE1 4.34Å; D155-S246 WeakPolarHBondContact OD1-CB 3.45Å; D155-S246 PolarHBondContact OD1-OG 3.37Å
156R93.9Very high93.1Very high126 Ų12641.2 Ų41.248%0.47521%0.212SC..Hα-helixtrans-67-43.4172.9-175-172.2-66.7-177.72.2111.2T153 Y154 R159 A160 F409 L410T153-R156 WeakPolarHBondContact O-CB 3.31Å; T153-R156 PolarHBondContact O-N 3.15Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 3.12Å; R156-R159 PolarHBondContact O-N 2.89Å; R156-A160 PolarHBondContact O-N 2.81Å; R156-F409 WeakPolarHBondContact CD-O 3.38Å; R156-L410 HydrophobicContact CG-CD2 4.41Å
157L94.9Very high93.4Very high19 Ų1944.8 Ų44.810%0.09923%0.225CC..Hα-helixtrans-60.6-47.5178.9-177.865.1000111.8C128 L131 T153 Y154 R159 A160 L161C128-L157 VanDerWaalsContact SG-CD1 3.57Å; L131-L157 HydrophobicContact CD2-CD2 3.86Å; T153-L157 PolarHBondContact O-N 3.45Å; Y154-L157 HydrophobicContact CD1-CD2 3.92Å; Y154-L157 HydrophobicContact CE1-CD2 4.21Å; Y154-L157 PolarHBondContact O-N 3.15Å; L157-R159 PolarHBondContact O-N 3.47Å; L157-A160 WeakPolarHBondContact O-CB 3.38Å; L157-A160 PolarHBondContact O-N 2.65Å; L157-A160 VanDerWaalsContact O-N 3.14Å; L157-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.47Å; L157-L161 HydrophobicContact CG-CD1 4Å; L157-L161 HydrophobicContact CG-CG 4.48Å; L157-L161 WeakPolarHBondContact O-CB 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 3.31Å
158F95.9Very high93.7Very high0 Ų043.4 Ų43.40%022%0.215CC..Hα-helixtrans-66.4-35.6-178.9-64.2-39.8000112.9F37 F135 L143 Y154 L161 D162 L196 F243 V248 L257 F258F37-F158 HydrophobicContact CE2-CE1 4.43Å; F37-F158 HydrophobicContact CE2-CZ 4.43Å; F37-F158 HydrophobicContact CZ-CE1 4.23Å; F37-F158 HydrophobicContact CZ-CZ 4.23Å; F135-F158 HydrophobicContact CE2-CD1 4.45Å; F135-F158 HydrophobicContact CE2-CE1 4.16Å; F135-F158 HydrophobicContact CZ-CD1 4.17Å; F135-F158 AromaticContact CZ-CE1 3.8Å; F135-F158 HydrophobicContact CZ-CE1 3.8Å; L143-F158 HydrophobicContact CD1-CZ 4Å; Y154-F158 HydrophobicContact CD1-CE2 4.5Å; Y154-F158 HydrophobicContact CD1-CZ 4.08Å; Y154-F158 HydrophobicContact CG-CE2 4.47Å; Y154-F158 HydrophobicContact CG-CZ 4.46Å; Y154-F158 WeakPolarHBondContact O-CB 3.38Å; Y154-F158 WeakPolarHBondContact O-CD2 3.45Å; Y154-F158 VanDerWaalsContact O-CG 3.24Å; Y154-F158 WeakPolarHBondContact O-CG 3.1Å; Y154-F158 PolarHBondContact O-N 2.97Å; F158-L161 HydrophobicContact CD1-CD1 4.15Å; F158-L161 PolarHBondContact O-N 3.26Å; F158-D162 WeakPolarHBondContact O-CB 3.06Å; F158-D162 PolarHBondContact O-N 2.97Å; F158-L196 HydrophobicContact CE2-CD2 3.93Å; F158-L196 HydrophobicContact CZ-CD2 3.76Å; F158-F243 AromaticContact CD2-CE1 3.8Å; F158-F243 HydrophobicContact CD2-CE1 3.8Å; F158-F243 AromaticContact CD2-CZ 3.86Å; F158-F243 HydrophobicContact CD2-CZ 3.86Å; F158-F243 HydrophobicContact CE2-CE1 4.13Å; F158-F243 AromaticContact CE2-CZ 3.74Å; F158-F243 HydrophobicContact CE2-CZ 3.74Å; F158-V248 HydrophobicContact CB-CG1 4.03Å; F158-V248 HydrophobicContact CB-CG2 4.45Å; F158-L257 HydrophobicContact CB-CD2 4.38Å; F158-L257 HydrophobicContact CD1-CD2 4.23Å; F158-F258 HydrophobicContact CB-CE1 4.09Å; F158-F258 HydrophobicContact CD1-CE1 4.07Å; F158-F258 AromaticContact CD2-CE1 3.67Å; F158-F258 HydrophobicContact CD2-CE1 3.67Å; F158-F258 AromaticContact CD2-CZ 3.88Å; F158-F258 HydrophobicContact CD2-CZ 3.88Å; F158-F258 HydrophobicContact CE1-CE1 4.46Å; F158-F258 HydrophobicContact CE2-CE1 4.07Å; F158-F258 HydrophobicContact CE2-CZ 4.13Å; F158-F258 AromaticContact CG-CE1 3.69Å; F158-F258 HydrophobicContact CG-CE1 3.69Å; F158-F258 HydrophobicContact CG-CZ 4.35Å; F158-F258 HydrophobicContact CZ-CE1 4.46Å
159R94.6Very high94.1Very high85 Ų8542.1 Ų42.132%0.32121%0.21SC..Hα-helixtrans-63.6-42.1170.4-73.1-164.9-58-89.9-0.1112.4D155 R156 L157 L161 D162 A163 V248 F409D155-R159 WeakPolarHBondContact O-CG 3.45Å; D155-R159 PolarHBondContact O-N 2.76Å; D155-R159 IonicContact OD1-NH1 2.92Å; D155-R159 PolarHBondContact OD1-NH1 2.6Å; D155-R159 IonicContact OD2-CZ 2.81Å; D155-R159 IonicContact OD2-NH1 3.24Å; D155-R159 PolarHBondContact OD2-NH1 2.96Å; D155-R159 IonicContact OD2-NH2 3.61Å; R156-R159 PolarHBondContact O-N 2.89Å; L157-R159 PolarHBondContact O-N 3.47Å; R159-L161 VanDerWaalsContact C-N 3.34Å; R159-D162 PolarHBondContact O-N 3.29Å; R159-A163 WeakPolarHBondContact O-CB 3.19Å; R159-A163 PolarHBondContact O-N 3.49Å; R159-V248 HydrophobicContact CG-CG2 3.59Å; R159-F409 HydrophobicContact CB-CE1 4.47Å
160A95.1Very high94.2Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-63.5-42.4177.200000111.3R156 L157 A163 L164 L406 F409 L410R156-A160 PolarHBondContact O-N 2.81Å; L157-A160 WeakPolarHBondContact O-CB 3.38Å; L157-A160 PolarHBondContact O-N 2.65Å; L157-A160 VanDerWaalsContact O-N 3.14Å; A160-A163 PolarHBondContact O-N 3.01Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 PolarHBondContact O-N 3.19Å; A160-L406 HydrophobicContact CB-CD2 3.96Å; A160-F409 HydrophobicContact CB-CB 3.61Å; A160-F409 HydrophobicContact CB-CD2 4.16Å; A160-F409 HydrophobicContact CB-CG 3.89Å; A160-L410 HydrophobicContact CB-CD2 4.26Å; A160-L410 HydrophobicContact CB-CG 4.31Å
161L95.3Very high94.2Very high0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-65.5-40.9176.6-75.1170.6000112.7C128 L131 L132 F135 L157 F158 R159 L164 R165 L257C128-L161 HydrophobicContact CB-CD2 3.91Å; C128-L161 WeakPolarHBondContact O-CD2 3.47Å; L131-L161 HydrophobicContact CB-CD1 4.37Å; L131-L161 HydrophobicContact CD2-CD1 3.54Å; L131-L161 HydrophobicContact CG-CD1 3.79Å; L132-L161 HydrophobicContact CB-CD2 4.25Å; F135-L161 HydrophobicContact CE2-CD1 4.26Å; L157-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.47Å; L157-L161 HydrophobicContact CG-CD1 4Å; L157-L161 HydrophobicContact CG-CG 4.48Å; L157-L161 WeakPolarHBondContact O-CB 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 3.31Å; F158-L161 HydrophobicContact CD1-CD1 4.15Å; F158-L161 PolarHBondContact O-N 3.26Å; R159-L161 VanDerWaalsContact C-N 3.34Å; L161-L164 PolarHBondContact O-N 2.89Å; L161-R165 VanDerWaalsContact O-CB 3.23Å; L161-R165 WeakPolarHBondContact O-CB 3.39Å; L161-R165 PolarHBondContact O-N 2.94Å; L161-L257 HydrophobicContact CB-CD2 3.81Å; L161-L257 HydrophobicContact CD1-CD2 4.46Å
162D94.5Very high94Very high41 Ų4140.8 Ų40.822%0.21920%0.204CC..Hα-helixtrans-64.9-41.9176.2-170.549.3000111.4F158 R159 L164 R165 Q166 L257F158-D162 WeakPolarHBondContact O-CB 3.06Å; F158-D162 PolarHBondContact O-N 2.97Å; R159-D162 PolarHBondContact O-N 3.29Å; D162-L164 PolarHBondContact O-N 2.77Å; D162-R165 WeakPolarHBondContact O-CB 3.43Å; D162-R165 PolarHBondContact O-N 3.23Å; D162-Q166 WeakPolarHBondContact O-CG 3.18Å; D162-Q166 PolarHBondContact O-N 3.16Å; D162-Q166 PolarHBondContact OD2-NE2 2.82Å; D162-Q166 VanDerWaalsContact OD2-NE2 3.09Å; D162-L257 HydrophobicContact CB-CB 4.43Å
163A94.6Very high94Very high20 Ų2041 Ų4117%0.16520%0.196CC..Hα-helixtrans-62.1-41.7173.700000112.4R159 A160 K167 V405 F409R159-A163 WeakPolarHBondContact O-CB 3.19Å; R159-A163 PolarHBondContact O-N 3.49Å; A160-A163 PolarHBondContact O-N 3.01Å; A163-K167 PolarHBondContact O-N 2.85Å; A163-V405 HydrophobicContact CB-CG2 4.43Å; A163-F409 HydrophobicContact CB-CE2 3.73Å; A163-F409 HydrophobicContact CB-CZ 3.99Å
164L95.3Very high93.9Very high0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-63.9-46.1174.4179.963.2000111.2L129 L132 A160 L161 D162 Q166 K167 V168 V405 L406L129-L164 HydrophobicContact CD2-CD2 4.17Å; L132-L164 HydrophobicContact CD2-CD2 3.87Å; L132-L164 HydrophobicContact CD2-CG 3.97Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 PolarHBondContact O-N 3.19Å; L161-L164 PolarHBondContact O-N 2.89Å; D162-L164 PolarHBondContact O-N 2.77Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 3.45Å; L164-K167 PolarHBondContact O-N 2.89Å; L164-K167 VanDerWaalsContact O-N 3.17Å; L164-V168 HydrophobicContact CD1-CG2 3.63Å; L164-V168 HydrophobicContact CG-CG2 4.08Å; L164-V168 WeakPolarHBondContact O-CB 3.36Å; L164-V168 WeakPolarHBondContact O-CG2 3.18Å; L164-V168 PolarHBondContact O-N 2.84Å; L164-V405 HydrophobicContact CB-CG1 4.03Å; L164-V405 HydrophobicContact CD1-CG1 3.83Å; L164-L406 HydrophobicContact CB-CD2 4.09Å; L164-L406 HydrophobicContact CD2-CD1 4.07Å; L164-L406 HydrophobicContact CD2-CD2 4.1Å; L164-L406 HydrophobicContact CD2-CG 4.24Å
165R94.5Very high93.6Very high19 Ų1940.4 Ų40.47%0.07220%0.199CC..Hα-helixtrans-55.4-48.3178.9178.9176.1157.746.73.1111.1L132 L161 D162 K167 V168 L169 N188L132-R165 HydrophobicContact CD1-CB 3.71Å; L132-R165 HydrophobicContact CD1-CG 4.06Å; L161-R165 VanDerWaalsContact O-CB 3.23Å; L161-R165 WeakPolarHBondContact O-CB 3.39Å; L161-R165 PolarHBondContact O-N 2.94Å; D162-R165 WeakPolarHBondContact O-CB 3.43Å; D162-R165 PolarHBondContact O-N 3.23Å; R165-K167 VanDerWaalsContact C-N 3.3Å; R165-K167 PolarHBondContact O-N 2.85Å; R165-V168 PolarHBondContact O-N 2.84Å; R165-L169 WeakPolarHBondContact O-CB 3.3Å; R165-L169 PolarHBondContact O-N 3.45Å; R165-N188 PolarHBondContact NH1-O 3.09Å; R165-N188 PolarHBondContact NH2-O 3.03Å
166Q93.4Very high93.3Very high122 Ų12239.6 Ų39.657%0.5720%0.195SC*.Hα-helixtrans-60.5-38.6-179.5-70.2172.917.200112.4D162 L164D162-Q166 WeakPolarHBondContact O-CG 3.18Å; D162-Q166 PolarHBondContact O-N 3.16Å; D162-Q166 PolarHBondContact OD2-NE2 2.82Å; D162-Q166 VanDerWaalsContact OD2-NE2 3.09Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 3.45Å
167K94.2Very high93Very high101 Ų10140.4 Ų40.444%0.43920%0.202SC..Hα-helixtrans-73.1-35.6177.2-70.8-171.2172.1-165.70113.6A163 L164 R165 P170 Q402 V405A163-K167 PolarHBondContact O-N 2.85Å; L164-K167 PolarHBondContact O-N 2.89Å; L164-K167 VanDerWaalsContact O-N 3.17Å; R165-K167 VanDerWaalsContact C-N 3.3Å; R165-K167 PolarHBondContact O-N 2.85Å; K167-P170 WeakPolarHBondContact O-CD 3.49Å; K167-Q402 HydrophobicContact CB-CB 4.26Å; K167-Q402 HydrophobicContact CB-CG 4.41Å; K167-V405 HydrophobicContact CD-CB 3.89Å; K167-V405 HydrophobicContact CD-CG1 4.19Å; K167-V405 HydrophobicContact CD-CG2 3.92Å
168V93.7Very high92.5Very high0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-88.2-22.2-175172.40000112.1L132 L164 R165 P170 L171 I172 L384 V399 Q402L132-V168 HydrophobicContact CD2-CG1 4.47Å; L164-V168 HydrophobicContact CD1-CG2 3.63Å; L164-V168 HydrophobicContact CG-CG2 4.08Å; L164-V168 WeakPolarHBondContact O-CB 3.36Å; L164-V168 WeakPolarHBondContact O-CG2 3.18Å; L164-V168 PolarHBondContact O-N 2.84Å; R165-V168 PolarHBondContact O-N 2.84Å; V168-P170 VanDerWaalsContact C-CD 3.42Å; V168-L171 WeakPolarHBondContact O-CB 3.48Å; V168-L171 PolarHBondContact O-N 2.92Å; V168-I172 HydrophobicContact CG1-CD1 3.56Å; V168-I172 HydrophobicContact CG1-CG1 3.65Å; V168-I172 PolarHBondContact O-N 3.25Å; V168-L384 HydrophobicContact CG1-CD2 3.97Å; V168-V399 HydrophobicContact CG1-CG1 3.99Å; V168-V399 HydrophobicContact CG1-CG2 3.87Å; V168-V399 HydrophobicContact CG2-CG1 4.14Å; V168-Q402 HydrophobicContact CG2-CB 3.92Å
169L93.4Very high92Very high25 Ų2547.4 Ų47.413%0.13124%0.24CC..Hα-helixtrans-49.6-45.9-179.5178.167.8000114.3R165 L171 I172 R173 C189R165-L169 WeakPolarHBondContact O-CB 3.3Å; R165-L169 PolarHBondContact O-N 3.45Å; L169-L171 VanDerWaalsContact C-N 3.27Å; L169-L171 PolarHBondContact O-N 2.98Å; L169-I172 PolarHBondContact O-N 3.37Å; L169-R173 HydrophobicContact CD1-CG 4.33Å; L169-R173 HydrophobicContact CG-CG 4.5Å; L169-R173 WeakPolarHBondContact O-CB 3.49Å; L169-R173 VanDerWaalsContact O-CG 3.25Å; L169-R173 WeakPolarHBondContact O-CG 3.4Å; L169-R173 PolarHBondContact O-N 3.2Å; L169-C189 HydrophobicContact CD1-CB 3.9Å
170P93.5Very high91.5Very high76 Ų7646.7 Ų46.749%0.49425%0.253SS..Hα-helixtrans-62.1-35178.2-17.730.2000113K167 V168 A174K167-P170 WeakPolarHBondContact O-CD 3.49Å; V168-P170 VanDerWaalsContact C-CD 3.42Å; P170-A174 PolarHBondContact O-N 3.25Å
171L92Very high90.9Very high35 Ų3547.6 Ų47.618%0.18326%0.258CS..Hα-helixtrans-72.3-44.6179.5-55.8174.7000110.1V168 L169 R173 A174 A175 L395 K398 V399 Q402V168-L171 WeakPolarHBondContact O-CB 3.48Å; V168-L171 PolarHBondContact O-N 2.92Å; L169-L171 VanDerWaalsContact C-N 3.27Å; L169-L171 PolarHBondContact O-N 2.98Å; L171-R173 VanDerWaalsContact C-N 3.31Å; L171-R173 PolarHBondContact O-N 3.38Å; L171-A174 WeakPolarHBondContact O-CB 3.38Å; L171-A174 PolarHBondContact O-N 2.89Å; L171-A175 PolarHBondContact O-N 3.18Å; L171-L395 WeakPolarHBondContact O-CD2 3.28Å; L171-K398 HydrophobicContact CD1-CB 3.86Å; L171-K398 HydrophobicContact CD2-CB 4.15Å; L171-K398 HydrophobicContact CD2-CD 4.29Å; L171-V399 HydrophobicContact CB-CG2 3.99Å; L171-V399 HydrophobicContact CD1-CB 4.46Å; L171-V399 HydrophobicContact CD1-CG2 3.69Å; L171-Q402 HydrophobicContact CD1-CG 4.26Å
172I91.1Very high90.5Very high1 Ų149.6 Ų49.61%0.00527%0.272CS..Hα-helixtrans-62.9-39.8175.6-64.7172.5000111.2V168 L169 A174 A175 I176 C189 L380 L384V168-I172 HydrophobicContact CG1-CD1 3.56Å; V168-I172 HydrophobicContact CG1-CG1 3.65Å; V168-I172 PolarHBondContact O-N 3.25Å; L169-I172 PolarHBondContact O-N 3.37Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 3.43Å; I172-A175 WeakPolarHBondContact O-CB 3.48Å; I172-A175 PolarHBondContact O-N 2.88Å; I172-A175 VanDerWaalsContact O-N 3.11Å; I172-I176 WeakPolarHBondContact O-CG1 3.48Å; I172-I176 PolarHBondContact O-N 3.07Å; I172-I176 VanDerWaalsContact O-N 3.15Å; I172-C189 HydrophobicContact CB-CB 4.36Å; I172-C189 HydrophobicContact CG2-CB 3.63Å; I172-L380 HydrophobicContact CB-CD2 4.42Å; I172-L380 HydrophobicContact CG2-CD2 3.15Å; I172-L384 HydrophobicContact CD1-CD1 4.17Å; I172-L384 HydrophobicContact CD1-CD2 4.1Å; I172-L384 HydrophobicContact CG1-CD2 4.35Å
173R92.3Very high90.1Very high94 Ų9456.6 Ų56.636%0.35530%0.301SS..Hα-helixtrans-56.8-41.6176-77.2177.7-179.7165.6-1.9112.1L169 L171 A175 K177 L187 C189L169-R173 HydrophobicContact CD1-CG 4.33Å; L169-R173 HydrophobicContact CG-CG 4.5Å; L169-R173 WeakPolarHBondContact O-CB 3.49Å; L169-R173 VanDerWaalsContact O-CG 3.25Å; L169-R173 WeakPolarHBondContact O-CG 3.4Å; L169-R173 PolarHBondContact O-N 3.2Å; L171-R173 VanDerWaalsContact C-N 3.31Å; L171-R173 PolarHBondContact O-N 3.38Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-K177 PolarHBondContact O-N 3.5Å; R173-L187 PolarHBondContact NE-O 2.64Å; R173-L187 PolarHBondContact NH2-O 2.93Å; R173-C189 WeakPolarHBondContact CG-SG 3.43Å; R173-C189 PolarHBondContact N-SG 3.05Å
174A90.8Very high89.7Confident56 Ų5660.5 Ų60.546%0.46332%0.315SS..Hα-helixtrans-65-39.8177.100000111.6P170 L171 I172 I176 K177 L395P170-A174 PolarHBondContact O-N 3.25Å; L171-A174 WeakPolarHBondContact O-CB 3.38Å; L171-A174 PolarHBondContact O-N 2.89Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 3.43Å; A174-I176 PolarHBondContact O-N 3.14Å; A174-K177 WeakPolarHBondContact O-CB 3.3Å; A174-K177 PolarHBondContact O-N 3.45Å; A174-L395 HydrophobicContact CB-CD2 3.79Å
175A88.2Confident89.4Confident12 Ų1260.6 Ų60.610%0.09932%0.316CS..Hα-helixtrans-66.5-32.3179.600000114.2L171 I172 R173 V383 L392 L395L171-A175 PolarHBondContact O-N 3.18Å; I172-A175 WeakPolarHBondContact O-CB 3.48Å; I172-A175 PolarHBondContact O-N 2.88Å; I172-A175 VanDerWaalsContact O-N 3.11Å; R173-A175 VanDerWaalsContact C-N 3.35Å; A175-V383 HydrophobicContact CB-CG2 3.8Å; A175-L392 HydrophobicContact CB-CD2 4.19Å; A175-L395 HydrophobicContact CB-CD2 4.36Å
176I89.2Confident89.1Confident0 Ų063 Ų630%033%0.326CS..THydrogen-bonded Turntrans-99.77.4-178.168.7173.8000113.9I172 A174 D178 C179 C189 L376 L380I172-I176 WeakPolarHBondContact O-CG1 3.48Å; I172-I176 PolarHBondContact O-N 3.07Å; I172-I176 VanDerWaalsContact O-N 3.15Å; A174-I176 PolarHBondContact O-N 3.14Å; I176-D178 VanDerWaalsContact C-N 3.25Å; I176-D178 PolarHBondContact O-N 2.82Å; I176-C179 WeakPolarHBondContact O-CB 3.31Å; I176-C179 PolarHBondContact O-N 2.82Å; I176-C179 VanDerWaalsContact O-N 3.16Å; I176-C189 HydrophobicContact CD1-CB 4.04Å; I176-L376 HydrophobicContact CG2-CD1 4.45Å; I176-L376 HydrophobicContact CG2-CG 4.13Å; I176-L380 HydrophobicContact CG2-CD2 3.56Å; I176-L380 HydrophobicContact CG2-CG 4.1Å
177K87.5Confident88.9Confident143 Ų14361.9 Ų61.962%0.62232%0.324SS*.THydrogen-bonded Turntrans-55.6-41.1-173.3-175.1-176.1173.9-1680112.4R173 A174 K186R173-K177 PolarHBondContact O-N 3.5Å; A174-K177 WeakPolarHBondContact O-CB 3.3Å; A174-K177 PolarHBondContact O-N 3.45Å; K177-K186 PolarHBondContact O-NZ 2.94Å
178D84.6Confident88.6Confident149 Ų14958.5 Ų58.580%0.79731%0.311SS*.THydrogen-bonded Turntrans-91.31.4-173.7-55.4-37.8000113.5I176I176-D178 VanDerWaalsContact C-N 3.25Å; I176-D178 PolarHBondContact O-N 2.82Å
179C84.5Confident88.6Confident16 Ų1658.5 Ų58.511%0.10831%0.311CS..SBendtrans-74.3145.8177.5-66.10000112.1I176 V181 K186I176-C179 WeakPolarHBondContact O-CB 3.31Å; I176-C179 PolarHBondContact O-N 2.82Å; I176-C179 VanDerWaalsContact O-N 3.16Å; C179-V181 VanDerWaalsContact C-N 3.25Å; C179-V181 HydrophobicContact CB-CG2 4.3Å; C179-V181 PolarHBondContact O-N 2.88Å; C179-K186 WeakPolarHBondContact O-CE 3.22Å; C179-K186 PolarHBondContact O-NZ 3.11Å
180A83.4Confident88.5Confident71 Ų7157.4 Ų57.459%0.58731%0.305SS*.SBendtrans-8355.7-179.700000113.5
181V84.1Confident88.4Confident19 Ų1953.9 Ų53.912%0.11528%0.282CS..  trans-115.8167.1178.6-62.30000112C179 W185 K186 L376C179-V181 VanDerWaalsContact C-N 3.25Å; C179-V181 HydrophobicContact CB-CG2 4.3Å; C179-V181 PolarHBondContact O-N 2.88Å; V181-W185 HydrophobicContact CB-CB 4.28Å; V181-W185 HydrophobicContact CB-CD2 4.48Å; V181-W185 HydrophobicContact CB-CG 4.41Å; V181-W185 HydrophobicContact CG1-CE3 4.5Å; V181-W185 HydrophobicContact CG2-CB 4.16Å; V181-W185 HydrophobicContact CG2-CG 4.28Å; V181-K186 HydrophobicContact CG2-CG 3.75Å; V181-K186 WeakPolarHBondContact O-CE 3.29Å; V181-L376 HydrophobicContact CB-CD1 4.42Å; V181-L376 HydrophobicContact CG1-CD1 3.77Å; V181-L376 HydrophobicContact CG2-CD1 3.95Å
182S85.3Confident88.4Confident41 Ų4152.2 Ų52.229%0.28727%0.273SS..  trans-59.7160.1-178.776.50000113.4E184 W185 K186 E366S182-E184 PolarHBondContact O-N 3.42Å; S182-E184 PolarHBondContact OG-N 3.44Å; S182-W185 PolarHBondContact O-N 3.05Å; S182-W185 PolarHBondContact OG-N 3.27Å; S182-W185 VanDerWaalsContact OG-N 3.12Å; S182-K186 WeakPolarHBondContact O-CG 3.42Å; S182-K186 PolarHBondContact O-N 3.29Å; S182-E366 WeakPolarHBondContact CB-OE2 3.48Å; S182-E366 PolarHBondContact N-OE1 3.13Å; S182-E366 PolarHBondContact N-OE2 2.85Å; S182-E366 VanDerWaalsContact N-OE2 3.07Å; S182-E366 PolarHBondContact OG-OE2 2.9Å
183K86.1Confident88.4Confident189 Ų18952.2 Ų52.282%0.82227%0.273SS*.Hα-helixtrans-59.3-34174.4-66.4-178.6-179.3177.60112L187K183-L187 WeakPolarHBondContact O-CB 3.5Å; K183-L187 PolarHBondContact O-N 3.04Å
184E86.1Confident88.6Confident102 Ų10247.7 Ų47.748%0.47726%0.256SS..Hα-helixtrans-73.7-39.7-178.8-61.3-174.7167.400112.1S182 L187 N188 H364S182-E184 PolarHBondContact O-N 3.42Å; S182-E184 PolarHBondContact OG-N 3.44Å; E184-L187 PolarHBondContact O-N 3.48Å; E184-N188 PolarHBondContact O-N 2.69Å; E184-N188 PolarHBondContact O-ND2 2.99Å; E184-H364 HydrophobicContact CB-CB 3.8Å; E184-H364 HydrophobicContact CG-CB 4.35Å; E184-H364 VanDerWaalsContact OE2-CA 3.3Å; E184-H364 WeakPolarHBondContact OE2-CA 3.42Å; E184-H364 WeakPolarHBondContact OE2-CB 3.33Å
185W88.8Confident88.8Confident2 Ų245.7 Ų45.71%0.00824%0.237CC..Hα-helixtrans-64.5-43.9172.5-163.8-33.4000110.3V181 S182 L187 N188 C189 P191 E366 P368 L376V181-W185 HydrophobicContact CB-CB 4.28Å; V181-W185 HydrophobicContact CB-CD2 4.48Å; V181-W185 HydrophobicContact CB-CG 4.41Å; V181-W185 HydrophobicContact CG1-CE3 4.5Å; V181-W185 HydrophobicContact CG2-CB 4.16Å; V181-W185 HydrophobicContact CG2-CG 4.28Å; S182-W185 PolarHBondContact O-N 3.05Å; S182-W185 PolarHBondContact OG-N 3.27Å; S182-W185 VanDerWaalsContact OG-N 3.12Å; W185-L187 PolarHBondContact O-N 3.49Å; W185-N188 PolarHBondContact O-N 3.33Å; W185-C189 WeakPolarHBondContact O-CA 3.25Å; W185-C189 PolarHBondContact O-N 2.83Å; W185-P191 HydrophobicContact CD2-CB 4.21Å; W185-P191 HydrophobicContact CE3-CB 3.9Å; W185-P191 HydrophobicContact CH2-CB 3.64Å; W185-P191 HydrophobicContact CH2-CG 4.14Å; W185-P191 HydrophobicContact CZ2-CB 3.91Å; W185-P191 HydrophobicContact CZ2-CG 4.07Å; W185-P191 HydrophobicContact CZ3-CB 3.62Å; W185-E366 WeakPolarHBondContact CB-OE2 3.21Å; W185-E366 HydrophobicContact CE3-CB 3.85Å; W185-E366 HydrophobicContact CE3-CG 3.85Å; W185-E366 VanDerWaalsContact CE3-OE2 3.31Å; W185-E366 HydrophobicContact CZ3-CB 4.27Å; W185-E366 HydrophobicContact CZ3-CG 4.13Å; W185-P368 HydrophobicContact CH2-CB 3.92Å; W185-P368 HydrophobicContact CH2-CG 3.85Å; W185-P368 HydrophobicContact CZ3-CB 3.78Å; W185-P368 HydrophobicContact CZ3-CG 3.93Å; W185-L376 HydrophobicContact CD2-CD1 4.3Å; W185-L376 HydrophobicContact CG-CD1 4.43Å; W185-L376 HydrophobicContact CZ2-CD1 4.11Å; W185-L376 HydrophobicContact CZ2-CD2 3.95Å
186K88.6Confident89.2Confident68 Ų6845.1 Ų45.130%0.29623%0.232SC..Hα-helixtrans-59.4-36.9174.6-66.2-172.9-174-164.40112.5K177 C179 V181 S182K177-K186 PolarHBondContact O-NZ 2.94Å; C179-K186 WeakPolarHBondContact O-CE 3.22Å; C179-K186 PolarHBondContact O-NZ 3.11Å; V181-K186 HydrophobicContact CG2-CG 3.75Å; V181-K186 WeakPolarHBondContact O-CE 3.29Å; S182-K186 WeakPolarHBondContact O-CG 3.42Å; S182-K186 PolarHBondContact O-N 3.29Å
187L89.7Confident89.5Confident99 Ų9945.1 Ų45.152%0.51823%0.232SC..Hα-helixtrans-71.9-43.4178.8-175.164000112.1R173 K183 E184 W185R173-L187 PolarHBondContact NE-O 2.64Å; R173-L187 PolarHBondContact NH2-O 2.93Å; K183-L187 WeakPolarHBondContact O-CB 3.5Å; K183-L187 PolarHBondContact O-N 3.04Å; E184-L187 PolarHBondContact O-N 3.48Å; W185-L187 PolarHBondContact O-N 3.49Å
188N88.5Confident89.9Confident31 Ų3138.3 Ų38.317%0.16620%0.202CC..Hα-helixtrans-97.2-10.8-173.8-64.7-46.2000113.7R165 E184 W185 R190 H364R165-N188 PolarHBondContact NH1-O 3.09Å; R165-N188 PolarHBondContact NH2-O 3.03Å; E184-N188 PolarHBondContact O-N 2.69Å; E184-N188 PolarHBondContact O-ND2 2.99Å; W185-N188 PolarHBondContact O-N 3.33Å; N188-R190 HydrophobicContact CB-CG 4.07Å; N188-R190 PolarHBondContact O-N 2.75Å; N188-H364 PolarHBondContact ND2-CE1 2.58Å; N188-H364 PolarHBondContact ND2-ND1 3.39Å; N188-H364 VanDerWaalsContact ND2-ND1 3.14Å
189C92.2Very high90.3Very high0 Ų031.3 Ų31.30%017%0.165CC..SBendtrans54.232.8-172.4-57.90000113.7L169 I172 R173 I176 W185L169-C189 HydrophobicContact CD1-CB 3.9Å; I172-C189 HydrophobicContact CB-CB 4.36Å; I172-C189 HydrophobicContact CG2-CB 3.63Å; R173-C189 WeakPolarHBondContact CG-SG 3.43Å; R173-C189 PolarHBondContact N-SG 3.05Å; I176-C189 HydrophobicContact CD1-CB 4.04Å; W185-C189 WeakPolarHBondContact O-CA 3.25Å; W185-C189 PolarHBondContact O-N 2.83Å
190R92.1Very high90.6Very high2 Ų230.6 Ų30.61%0.00816%0.16CC..SBendtrans-154.2152.6176.565.1-174.1176.3-167.22.3111.3S136 N188 C192 S254 C256 L257 H364S136-R190 VanDerWaalsContact O-CA 3.3Å; S136-R190 WeakPolarHBondContact O-CA 3.48Å; N188-R190 HydrophobicContact CB-CG 4.07Å; N188-R190 PolarHBondContact O-N 2.75Å; R190-C192 WeakPolarHBondContact CD-O 3.19Å; R190-C192 WeakPolarHBondContact CG-O 3.31Å; R190-S254 PolarHBondContact NH2-O 3.2Å; R190-C256 PolarHBondContact NH1-O 3.15Å; R190-C256 PolarHBondContact NH2-O 2.95Å; R190-L257 PolarHBondContact NH1-O 3.25Å; R190-H364 WeakPolarHBondContact CG-NE2 3.47Å
191P91.3Very high90.8Very high1 Ų128 Ų281%0.00614%0.136CC..SBendtrans-66.2-40.3179.322.2-30.7000112.8S136 W185 F365 E366S136-P191 VanDerWaalsContact O-CD 3.32Å; S136-P191 WeakPolarHBondContact O-CD 3.36Å; W185-P191 HydrophobicContact CD2-CB 4.21Å; W185-P191 HydrophobicContact CE3-CB 3.9Å; W185-P191 HydrophobicContact CH2-CB 3.64Å; W185-P191 HydrophobicContact CH2-CG 4.14Å; W185-P191 HydrophobicContact CZ2-CB 3.91Å; W185-P191 HydrophobicContact CZ2-CG 4.07Å; W185-P191 HydrophobicContact CZ3-CB 3.62Å; P191-F365 WeakPolarHBondContact O-CA 3.43Å; P191-E366 PolarHBondContact O-N 3.37Å; P191-E366 VanDerWaalsContact O-N 3.12Å
192C91.6Very high90.7Very high0 Ų028.5 Ų28.50%014%0.137CC..SBendtrans-156.9168.8174.662.20000108.7R190 P194 H364 F365R190-C192 WeakPolarHBondContact CD-O 3.19Å; R190-C192 WeakPolarHBondContact CG-O 3.31Å; C192-P194 VanDerWaalsContact O-CD 3.25Å; C192-P194 WeakPolarHBondContact O-CD 3.07Å; C192-H364 WeakPolarHBondContact CA-O 3.23Å; C192-H364 WeakPolarHBondContact CB-O 3.36Å; C192-F365 HydrophobicContact CB-CD2 3.92Å
193P92.5Very high89.9Confident1 Ų130 Ų301%0.00614%0.142CC..  trans-62.4113.8161.9-1833000108.6T259P193-T259 HydrophobicContact CB-CG2 3.82Å
194P95.1Very high88.7Confident0 Ų024 Ų240%013%0.127CC..PPolyproline II helixtrans-69.2142.2-172.426.9-34.4000111.1F135 H139 L141 C192 L257 F258 T259F135-P194 HydrophobicContact CD1-CG 3.77Å; F135-P194 HydrophobicContact CE1-CG 4.46Å; H139-P194 WeakPolarHBondContact O-CA 3.43Å; L141-P194 HydrophobicContact CD1-CB 3.98Å; L141-P194 HydrophobicContact CD1-CG 4.02Å; L141-P194 HydrophobicContact CG-CB 4.19Å; C192-P194 VanDerWaalsContact O-CD 3.25Å; C192-P194 WeakPolarHBondContact O-CD 3.07Å; P194-L257 WeakPolarHBondContact CD-O 3.45Å; P194-F258 HydrophobicContact CG-CB 4.32Å; P194-F258 CarbonylContact O-C 3.55Å; P194-F258 VanDerWaalsContact O-CA 3.24Å; P194-F258 WeakPolarHBondContact O-CA 3.32Å; P194-F258 VanDerWaalsContact O-CB 3.23Å; P194-F258 WeakPolarHBondContact O-CB 3.3Å; P194-T259 PolarHBondContact O-N 3.16Å
195R94.9Very high87.1Confident13 Ų1324.9 Ų24.95%0.04914%0.14CC..EExtended strand (participates in β ladder)trans-82.2125.3171.9-82.9-178.3174.9178.70.3110.5H139 L141 T259 H342 F352 D354H139-R195 PolarHBondContact O-N 2.76Å; L141-R195 PolarHBondContact N-O 3.23Å; R195-T259 WeakPolarHBondContact CA-O 3.47Å; R195-T259 VanDerWaalsContact CG-OG1 3.28Å; R195-T259 WeakPolarHBondContact CG-OG1 3.26Å; R195-H342 PolarHBondContact NH1-ND1 3.34Å; R195-F352 HydrophobicContact CB-CE2 4.34Å; R195-F352 HydrophobicContact CB-CZ 4.48Å; R195-F352 VanDerWaalsContact CD-CD1 3.44Å; R195-F352 HydrophobicContact CG-CB 4.41Å; R195-F352 HydrophobicContact CG-CD1 4.17Å; R195-F352 HydrophobicContact CG-CD2 3.88Å; R195-F352 HydrophobicContact CG-CE1 4.36Å; R195-F352 HydrophobicContact CG-CE2 4.11Å; R195-F352 HydrophobicContact CG-CG 3.9Å; R195-F352 HydrophobicContact CG-CZ 4.32Å; R195-D354 WeakPolarHBondContact CG-OD2 3.31Å; R195-D354 IonicContact CZ-OD1 3.51Å; R195-D354 IonicContact CZ-OD2 2.77Å; R195-D354 IonicContact NE-OD1 3.75Å; R195-D354 PolarHBondContact NE-OD1 3.16Å; R195-D354 IonicContact NE-OD2 3.7Å; R195-D354 PolarHBondContact NE-OD2 3.41Å; R195-D354 IonicContact NH2-OD1 2.86Å; R195-D354 PolarHBondContact NH2-OD1 2.81Å; R195-D354 IonicContact NH2-OD2 3.81Å
196L96.3Very high85.4Confident0 Ų028.5 Ų28.50%016%0.159CC..EExtended strand (participates in β ladder)trans-96.4118.7176.6-172.763.7000110.3F37 L141 L143 F158 F198 F258 T259F37-L196 HydrophobicContact CE1-CD1 3.83Å; F37-L196 HydrophobicContact CZ-CD1 3.8Å; L141-L196 HydrophobicContact CB-CD1 3.68Å; L141-L196 WeakPolarHBondContact O-CA 3.32Å; L143-L196 HydrophobicContact CB-CD1 4.23Å; F158-L196 HydrophobicContact CE2-CD2 3.93Å; F158-L196 HydrophobicContact CZ-CD2 3.76Å; L196-F198 HydrophobicContact CD2-CE1 4.11Å; L196-F198 HydrophobicContact CD2-CE2 4.25Å; L196-F198 HydrophobicContact CD2-CZ 3.52Å; L196-F198 HydrophobicContact CG-CE1 4.39Å; L196-F198 HydrophobicContact CG-CE2 4.07Å; L196-F198 HydrophobicContact CG-CZ 3.78Å; L196-F258 HydrophobicContact CB-CB 4.21Å; L196-F258 HydrophobicContact CB-CD2 3.56Å; L196-F258 HydrophobicContact CB-CE2 4.11Å; L196-F258 HydrophobicContact CB-CG 3.95Å; L196-F258 HydrophobicContact CD2-CD1 4.16Å; L196-F258 HydrophobicContact CD2-CD2 3.85Å; L196-F258 HydrophobicContact CD2-CE1 3.99Å; L196-F258 HydrophobicContact CD2-CE2 3.67Å; L196-F258 HydrophobicContact CD2-CG 4.11Å; L196-F258 HydrophobicContact CD2-CZ 3.74Å; L196-F258 HydrophobicContact CG-CD2 4.37Å; L196-T259 PolarHBondContact N-O 2.94Å
197L96.3Very high83.6Confident0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-111.7147.8175.8-42174.7000109.5V140 L141 L142 L143 F266 F338 L339 H342V140-L197 HydrophobicContact CG1-CD1 3.63Å; V140-L197 HydrophobicContact CG1-CG 4.02Å; L141-L197 PolarHBondContact O-N 3.32Å; L142-L197 WeakPolarHBondContact CA-O 3.43Å; L142-L197 HydrophobicContact CD2-CB 3.67Å; L142-L197 HydrophobicContact CD2-CD1 3.76Å; L142-L197 HydrophobicContact CD2-CG 4.14Å; L143-L197 PolarHBondContact N-O 3.4Å; L197-F266 CarbonylContact C-O 3.49Å; L197-F266 WeakPolarHBondContact CA-O 3.41Å; L197-F266 HydrophobicContact CD2-CB 3.9Å; L197-F338 HydrophobicContact CB-CE1 4.13Å; L197-F338 HydrophobicContact CB-CZ 4.08Å; L197-F338 HydrophobicContact CD1-CE1 4.09Å; L197-F338 HydrophobicContact CD1-CZ 4.35Å; L197-L339 HydrophobicContact CD1-CD1 4.19Å; L197-H342 HydrophobicContact CD1-CB 4.49Å; L197-H342 WeakPolarHBondContact CD1-CD2 3.36Å
198F95.4Very high81.4Confident0 Ų030.4 Ų30.40%017%0.172CC..EExtended strand (participates in β ladder)trans-113.8133.7-175.7-59.6-95.1000110.5L143 F150 L196 F200 I239 F243 F266 V267 Y268L143-F198 HydrophobicContact CB-CD1 4.03Å; L143-F198 HydrophobicContact CB-CE1 4.28Å; L143-F198 HydrophobicContact CD1-CD1 4.27Å; L143-F198 HydrophobicContact CD1-CE1 3.94Å; L143-F198 HydrophobicContact CD2-CD1 4.18Å; L143-F198 HydrophobicContact CG-CD1 4.39Å; F150-F198 HydrophobicContact CD2-CD1 4.4Å; F150-F198 HydrophobicContact CD2-CE1 4.26Å; F150-F198 HydrophobicContact CE2-CD1 4.31Å; F150-F198 AromaticContact CE2-CE1 3.76Å; F150-F198 HydrophobicContact CE2-CE1 3.76Å; L196-F198 HydrophobicContact CD2-CE1 4.11Å; L196-F198 HydrophobicContact CD2-CE2 4.25Å; L196-F198 HydrophobicContact CD2-CZ 3.52Å; L196-F198 HydrophobicContact CG-CE1 4.39Å; L196-F198 HydrophobicContact CG-CE2 4.07Å; L196-F198 HydrophobicContact CG-CZ 3.78Å; F198-F200 HydrophobicContact CB-CD2 4.33Å; F198-F200 HydrophobicContact CB-CE2 3.65Å; F198-F200 HydrophobicContact CB-CZ 4Å; F198-F200 HydrophobicContact CD1-CZ 4.29Å; F198-F200 HydrophobicContact CG-CE2 4.43Å; F198-F200 HydrophobicContact CG-CZ 4.44Å; F198-I239 HydrophobicContact CB-CD1 4.41Å; F198-I239 HydrophobicContact CD1-CD1 4.15Å; F198-I239 HydrophobicContact CD2-CD1 3.97Å; F198-I239 HydrophobicContact CD2-CG2 4.46Å; F198-I239 HydrophobicContact CE1-CD1 4.49Å; F198-I239 HydrophobicContact CE2-CD1 4.34Å; F198-I239 HydrophobicContact CE2-CG2 3.82Å; F198-I239 HydrophobicContact CG-CD1 3.89Å; F198-I239 HydrophobicContact CZ-CG2 3.86Å; F198-F243 HydrophobicContact CE2-CE2 4.47Å; F198-F243 AromaticContact CZ-CE2 3.74Å; F198-F243 HydrophobicContact CZ-CE2 3.74Å; F198-F243 HydrophobicContact CZ-CZ 4.16Å; F198-F266 AromaticContact CD2-CD2 3.83Å; F198-F266 HydrophobicContact CD2-CD2 3.83Å; F198-F266 HydrophobicContact CD2-CE2 4.13Å; F198-F266 HydrophobicContact CE2-CD2 4.11Å; F198-F266 HydrophobicContact CE2-CE2 4.22Å; F198-F266 PolarHBondContact N-O 2.85Å; F198-V267 HydrophobicContact CB-CG2 4.23Å; F198-V267 HydrophobicContact CD2-CG2 4.41Å; F198-V267 CarbonylContact O-C 3.53Å; F198-V267 WeakPolarHBondContact O-CA 3.44Å; F198-Y268 PolarHBondContact O-N 3.31Å
199V93.2Very high79Confident2 Ų234.3 Ų34.31%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-122.1109.5177-176.70000108L51 L142 L143 V144 H145 Y268 I270L51-V199 HydrophobicContact CD1-CG1 4.32Å; L51-V199 HydrophobicContact CD2-CG1 4.19Å; L142-V199 HydrophobicContact CD2-CG2 4.49Å; L143-V199 PolarHBondContact O-N 3.43Å; V144-V199 WeakPolarHBondContact CA-O 3.23Å; V144-V199 HydrophobicContact CG2-CB 4.46Å; H145-V199 PolarHBondContact N-O 2.96Å; V199-Y268 WeakPolarHBondContact CA-O 3.38Å; V199-Y268 HydrophobicContact CG1-CD1 4.42Å; V199-I270 HydrophobicContact CG1-CD1 3.65Å; V199-I270 HydrophobicContact CG1-CG1 3.62Å
200F91.6Very high76.5Confident1 Ų137.8 Ų37.80%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-103.1142.4177.8-62.7-71.3000110.8H145 S147 F150 F198 L235 I239 V267 Y268 V269 I270H145-F200 HydrophobicContact CB-CD1 3.75Å; H145-F200 HydrophobicContact CB-CE1 3.9Å; H145-F200 WeakPolarHBondContact O-CA 3.31Å; S147-F200 WeakPolarHBondContact O-CD1 3.42Å; F150-F200 HydrophobicContact CB-CZ 4.27Å; F150-F200 HydrophobicContact CD2-CZ 4.23Å; F198-F200 HydrophobicContact CB-CD2 4.33Å; F198-F200 HydrophobicContact CB-CE2 3.65Å; F198-F200 HydrophobicContact CB-CZ 4Å; F198-F200 HydrophobicContact CD1-CZ 4.29Å; F198-F200 HydrophobicContact CG-CE2 4.43Å; F198-F200 HydrophobicContact CG-CZ 4.44Å; F200-L235 HydrophobicContact CD2-CD1 3.67Å; F200-L235 HydrophobicContact CE2-CB 4.45Å; F200-L235 HydrophobicContact CE2-CD1 3.94Å; F200-L235 HydrophobicContact CG-CD1 4.35Å; F200-I239 HydrophobicContact CE2-CD1 3.99Å; F200-I239 HydrophobicContact CZ-CD1 4Å; F200-V267 HydrophobicContact CD2-CG1 3.62Å; F200-V267 HydrophobicContact CE2-CG1 3.74Å; F200-Y268 PolarHBondContact N-O 3.28Å; F200-V269 HydrophobicContact CB-CG2 4.38Å; F200-V269 CarbonylContact O-C 3.56Å; F200-V269 VanDerWaalsContact O-CA 3.29Å; F200-V269 WeakPolarHBondContact O-CA 2.96Å; F200-I270 PolarHBondContact O-N 3.2Å
201Q86.6Confident74.2Confident17 Ų1746 Ų468%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-90.3134.1170.6-167.6171.84.900110.6L47 H145 S147 Q148L47-Q201 VanDerWaalsContact CD1-OE1 3.24Å; H145-Q201 PolarHBondContact O-N 3.46Å; S147-Q201 CarbonylContact C-O 3.49Å; Q148-Q201 PolarHBondContact N-O 3.4Å
202M82.3Confident71.4Confident30 Ų3049.1 Ų49.115%0.14831%0.311CS..PPolyproline II helixtrans-83.5126.8173-155159.681.400109.5L206 V269 I270 A272M202-L206 HydrophobicContact CG-CB 4.33Å; M202-L206 HydrophobicContact SD-CB 4.31Å; M202-V269 HydrophobicContact CB-CG1 3.91Å; M202-V269 HydrophobicContact CG-CG1 4.35Å; M202-V269 HydrophobicContact SD-CG1 4.19Å; M202-I270 VanDerWaalsContact CB-O 3.23Å; M202-I270 WeakPolarHBondContact CB-O 3.21Å; M202-I270 PolarHBondContact N-O 3.12Å; M202-A272 HydrophobicContact CB-CB 4.37Å; M202-A272 WeakPolarHBondContact O-CB 3.37Å
203N69.3Low69.1Low72 Ų7254.2 Ų54.239%0.38535%0.347SS..PPolyproline II helixtrans-84.8151.7175.1-65.2-12.4000109.6P146 T205 L206P146-N203 PolarHBondContact O-OD1 2.84Å; N203-T205 PolarHBondContact O-N 3.33Å; N203-L206 PolarHBondContact O-N 2.84Å
204A60Low66.7Low62 Ų6260.9 Ų60.951%0.51238%0.383SS..G310 helixtrans-55.8-12.1-171.100000115.7L206 K207A204-L206 PolarHBondContact O-N 3.16Å; A204-K207 PolarHBondContact O-N 3.07Å
205T52.4Low63.9Low121 Ų12166.5 Ų66.574%0.74242%0.422SS*.G310 helixtrans-66.4-15.817950.30000114.7N203N203-T205 PolarHBondContact O-N 3.33Å
206L52.9Low61.4Low79 Ų7970.6 Ų70.641%0.41447%0.468SS..G310 helixtrans-109.725.9174.6-72.2178.4000113.2M202 N203 A204 V208M202-L206 HydrophobicContact CG-CB 4.33Å; M202-L206 HydrophobicContact SD-CB 4.31Å; N203-L206 PolarHBondContact O-N 2.84Å; A204-L206 PolarHBondContact O-N 3.16Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.37Å
207K50.5Low58.6Low107 Ų10773.6 Ų73.647%0.46550%0.499SS..  trans-61.692.7165.8-77.1-174.3-178179.40108.2A204 P209 D274A204-K207 PolarHBondContact O-N 3.07Å; K207-P209 WeakPolarHBondContact O-CD 3.34Å; K207-D274 IonicContact NZ-OD1 2.71Å; K207-D274 PolarHBondContact NZ-OD1 3.15Å; K207-D274 IonicContact NZ-OD2 2.77Å; K207-D274 PolarHBondContact NZ-OD2 3.13Å
208V44.9Very low55.9Low100 Ų10080.9 Ų80.961%0.60654%0.538SS*.  trans-64.7120.6162.41790000105.3L206 G210 P227L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.37Å; V208-G210 PolarHBondContact O-N 3.37Å; V208-P227 HydrophobicContact CG2-CG 4.41Å
209P37.2Very low53.5Low112 Ų11286.6 Ų86.673%0.72758%0.575SS**  trans-60.8113.8177.624.1-30.6000108K207 N211K207-P209 WeakPolarHBondContact O-CD 3.34Å; P209-N211 PolarHBondContact O-N 3.07Å
210G40Very low51.3Low74 Ų7494.7 Ų94.776%0.76361%0.613SS**SBendtrans-65.6118.9168.900000108.6V208 G212V208-G210 PolarHBondContact O-N 3.37Å; G210-G212 PolarHBondContact O-N 3.23Å
211N44.1Very low49.3Very low173 Ų173103.8 Ų103.893%0.92565%0.652SS**  trans43.470.1166.2-80.25.2000116.3P209P209-N211 PolarHBondContact O-N 3.07Å
212G31.8Very low47.7Very low67 Ų67109 Ų10969%0.69169%0.688SS**  trans-100111.5147.300000108.2G210 D214G210-G212 PolarHBondContact O-N 3.23Å; G212-D214 PolarHBondContact O-N 2.88Å
213S44.5Very low46.6Very low108 Ų108114.8 Ų114.876%0.75571%0.712SS**  trans-48.9135.4156-179.50000108.1
214D41.6Very low46.4Very low141 Ų141120.3 Ų120.375%0.75473%0.732SS**  trans129.879.1156.1-62.4-5.3000112.2G212G212-D214 PolarHBondContact O-N 2.88Å
215S36.7Very low47Very low118 Ų118121 Ų12183%0.82573%0.725SS**  trans-157.2108.4147.2-74.40000107.7G217S215-G217 PolarHBondContact O-N 3.12Å
216G41.2Very low48.4Very low98 Ų98117 Ų117100%1.0170%0.702SS**  trans-62.1100.1172.700000110.2
217G38.7Very low49.9Very low64 Ų64117.1 Ų117.166%0.6671%0.708SS**  trans-159.5128.6175.300000109.1S215S215-G217 PolarHBondContact O-N 3.12Å
218N38.7Very low51.5Low152 Ų152113.7 Ų113.781%0.81369%0.692SS**  trans-29.4135.5-178.1-137.34.3000114.7E220N218-E220 VanDerWaalsContact C-N 3.3Å; N218-E220 PolarHBondContact O-N 3.35Å
219P45.5Very low53.5Low120 Ų120110.4 Ų110.478%0.77967%0.668SS**  trans-73.384.4178.831.5-32.5000109.7K221P219-K221 PolarHBondContact O-N 3.48Å
220E47.6Very low55.9Low172 Ų172111.7 Ų111.780%0.80466%0.659SS**  trans-60132.5162.9-84.6-163.2150.300108.7N218N218-E220 VanDerWaalsContact C-N 3.3Å; N218-E220 PolarHBondContact O-N 3.35Å
221K48.7Very low58.3Low193 Ų193110.1 Ų110.184%0.83963%0.632SS**  trans-40.1134.1179.8-67.4172.8178.4175.20110.9P219 K223P219-K221 PolarHBondContact O-N 3.48Å; K221-K223 PolarHBondContact O-N 2.89Å
222P52.8Low60.5Low127 Ų127101.9 Ų101.983%0.82559%0.589SS**  trans-54.2121.8176.921.9-31.5000109K224P222-K224 PolarHBondContact O-N 2.99Å
223K60.2Low63.4Low151 Ų151101.8 Ų101.866%0.65757%0.57SS**  trans-55.7133.2175.9-71.3176.6-178.4169.30107.8K221 H225K221-K223 PolarHBondContact O-N 2.89Å; K223-H225 PolarHBondContact O-N 3.16Å
224K63.9Low65.7Low187 Ų18798.5 Ų98.581%0.81355%0.55SS*.SBendtrans-54.1-20.2-172.5-164.8178.4179.7-175.90114.8P222P222-K224 PolarHBondContact O-N 2.99Å
225H73.6Confident68.1Low76 Ų7692 Ų9235%0.35251%0.514SS..SBendtrans-135.3145.8-179.4-66.8-67.4000111.9K223 R229 R230K223-H225 PolarHBondContact O-N 3.16Å; H225-R229 HydrophobicContact CB-CB 4.23Å; H225-R229 HydrophobicContact CB-CG 4.23Å; H225-R230 HydrophobicContact CB-CG 4.02Å
226S82.3Confident70.9Confident37 Ų3787.3 Ų87.326%0.25948%0.48SS..  trans-60.6154.3174.172.10000111.4R228 R229 R230 D332S226-R228 PolarHBondContact O-N 2.99Å; S226-R229 PolarHBondContact O-N 3.19Å; S226-R229 VanDerWaalsContact O-N 3.08Å; S226-R229 WeakPolarHBondContact OG-CB 3.3Å; S226-R229 PolarHBondContact OG-N 2.93Å; S226-R230 PolarHBondContact O-N 3.24Å; S226-D332 WeakPolarHBondContact CB-OD2 3.21Å; S226-D332 PolarHBondContact OG-OD2 3.29Å
227P82.9Confident73.4Confident83 Ų8386.8 Ų86.854%0.53945%0.454SS..Hα-helixtrans-53.8-39.5176.9-27.135.4000113.1V208 R230 L231V208-P227 HydrophobicContact CG2-CG 4.41Å; P227-R230 PolarHBondContact O-N 3.12Å; P227-L231 PolarHBondContact O-N 3.02Å
228R84.4Confident76.1Confident35 Ų3588.3 Ų88.313%0.13244%0.444CS..Hα-helixtrans-63-44.5176-170.3177.876.8148.63111.9S226 R230 L231 Q232 Y268 V269 D332S226-R228 PolarHBondContact O-N 2.99Å; R228-R230 PolarHBondContact O-N 3.13Å; R228-L231 WeakPolarHBondContact O-CB 3.26Å; R228-L231 PolarHBondContact O-N 3.42Å; R228-Q232 WeakPolarHBondContact O-CG 3.48Å; R228-Q232 PolarHBondContact O-N 3.42Å; R228-Y268 PolarHBondContact NH1-OH 3.14Å; R228-V269 HydrophobicContact CG-CB 4.11Å; R228-V269 HydrophobicContact CG-CG1 4.38Å; R228-V269 PolarHBondContact NH1-O 3.07Å; R228-D332 IonicContact CZ-OD1 2.86Å; R228-D332 IonicContact NE-OD1 3.33Å; R228-D332 PolarHBondContact NE-OD1 2.98Å; R228-D332 IonicContact NH2-OD1 2.74Å; R228-D332 PolarHBondContact NH2-OD1 3.37Å
229R86.9Confident78.8Confident31 Ų3181.1 Ų81.112%0.11741%0.405CS..Hα-helixtrans-66.8-36.7178.1-171.859.4176.3-171.1-2.2112.6H225 S226 L231 Q232 H233H225-R229 HydrophobicContact CB-CB 4.23Å; H225-R229 HydrophobicContact CB-CG 4.23Å; S226-R229 PolarHBondContact O-N 3.19Å; S226-R229 VanDerWaalsContact O-N 3.08Å; S226-R229 WeakPolarHBondContact OG-CB 3.3Å; S226-R229 PolarHBondContact OG-N 2.93Å; R229-L231 VanDerWaalsContact C-N 3.34Å; R229-Q232 VanDerWaalsContact CD-OE1 3.28Å; R229-Q232 PolarHBondContact O-N 2.79Å; R229-H233 PolarHBondContact NE-CE1 3.31Å; R229-H233 PolarHBondContact NE-NE2 3.22Å; R229-H233 VanDerWaalsContact NE-NE2 3.12Å; R229-H233 PolarHBondContact O-CD2 2.91Å; R229-H233 VanDerWaalsContact O-CD2 3.23Å; R229-H233 PolarHBondContact O-N 3.42Å
230R88.5Confident81.1Confident139 Ų13979.4 Ų79.453%0.52538%0.384SS..Hα-helixtrans-63.1-40172.4-69.2176.162.6-153-3.8112H225 S226 P227 R228 A234H225-R230 HydrophobicContact CB-CG 4.02Å; S226-R230 PolarHBondContact O-N 3.24Å; P227-R230 PolarHBondContact O-N 3.12Å; R228-R230 PolarHBondContact O-N 3.13Å; R230-A234 WeakPolarHBondContact O-CB 3.24Å; R230-A234 PolarHBondContact O-N 3.39Å
231L89.3Confident83.3Confident40 Ų4078.7 Ų78.721%0.20937%0.374CS..Hα-helixtrans-64.6-44.217517762.4000111.6Q148 P227 R228 R229 H233 A234 L235 V269Q148-L231 HydrophobicContact CB-CD2 4.38Å; P227-L231 PolarHBondContact O-N 3.02Å; R228-L231 WeakPolarHBondContact O-CB 3.26Å; R228-L231 PolarHBondContact O-N 3.42Å; R229-L231 VanDerWaalsContact C-N 3.34Å; L231-H233 PolarHBondContact O-N 2.86Å; L231-A234 PolarHBondContact O-N 2.95Å; L231-L235 HydrophobicContact CD1-CD1 4.08Å; L231-L235 HydrophobicContact CD1-CG 4.17Å; L231-L235 HydrophobicContact CG-CD1 4Å; L231-L235 WeakPolarHBondContact O-CG 3.23Å; L231-L235 PolarHBondContact O-N 3.3Å; L231-V269 HydrophobicContact CD2-CG1 4.41Å; L231-V269 HydrophobicContact CD2-CG2 4.34Å
232Q91.2Very high85.5Confident1 Ų171.8 Ų71.81%0.00535%0.346CS..Hα-helixtrans-55.4-51.9174.6-73.2171.20.800111.2R228 R229 A234 L235 E236 V267 V269R228-Q232 WeakPolarHBondContact O-CG 3.48Å; R228-Q232 PolarHBondContact O-N 3.42Å; R229-Q232 VanDerWaalsContact CD-OE1 3.28Å; R229-Q232 PolarHBondContact O-N 2.79Å; Q232-A234 VanDerWaalsContact C-N 3.32Å; Q232-A234 PolarHBondContact O-N 2.93Å; Q232-L235 PolarHBondContact O-N 3.48Å; Q232-L235 VanDerWaalsContact O-N 3.14Å; Q232-E236 VanDerWaalsContact O-CG 3.32Å; Q232-E236 WeakPolarHBondContact O-CG 3.27Å; Q232-E236 PolarHBondContact O-N 3.29Å; Q232-V267 HydrophobicContact CG-CG1 4.5Å; Q232-V269 HydrophobicContact CG-CB 4.32Å; Q232-V269 HydrophobicContact CG-CG2 3.76Å
233H91.9Very high87.5Confident64 Ų6465.8 Ų65.830%0.29631%0.306SS..Hα-helixtrans-61.6-38177.8-70-43.4000113.3R229 L231 L235 E236 D237R229-H233 PolarHBondContact NE-CE1 3.31Å; R229-H233 PolarHBondContact NE-NE2 3.22Å; R229-H233 VanDerWaalsContact NE-NE2 3.12Å; R229-H233 PolarHBondContact O-CD2 2.91Å; R229-H233 VanDerWaalsContact O-CD2 3.23Å; R229-H233 PolarHBondContact O-N 3.42Å; L231-H233 PolarHBondContact O-N 2.86Å; H233-L235 VanDerWaalsContact C-N 3.35Å; H233-E236 IonicContact CE1-OE2 2.96Å; H233-E236 IonicContact CG-OE2 3.74Å; H233-E236 IonicContact ND1-OE2 3.84Å; H233-E236 PolarHBondContact ND1-OE2 3.48Å; H233-E236 PolarHBondContact O-N 3.45Å; H233-D237 WeakPolarHBondContact O-CB 3.48Å; H233-D237 PolarHBondContact O-N 3.28Å
234A92.6Very high89Confident40 Ų4061.6 Ų61.633%0.33129%0.286SS..Hα-helixtrans-64.4-40.1175.200000112.1R230 L231 Q232 Q238R230-A234 WeakPolarHBondContact O-CB 3.24Å; R230-A234 PolarHBondContact O-N 3.39Å; L231-A234 PolarHBondContact O-N 2.95Å; Q232-A234 VanDerWaalsContact C-N 3.32Å; Q232-A234 PolarHBondContact O-N 2.93Å; A234-Q238 WeakPolarHBondContact O-CB 3.44Å; A234-Q238 WeakPolarHBondContact O-CG 3.47Å; A234-Q238 PolarHBondContact O-N 2.66Å
235L93.4Very high90.4Very high3 Ų361.7 Ų61.72%0.01629%0.287CS..Hα-helixtrans-69.6-40.6176.5-71.3170.1000111.7F200 L231 Q232 H233 D237 Q238 I239 V267 V269F200-L235 HydrophobicContact CD2-CD1 3.67Å; F200-L235 HydrophobicContact CE2-CB 4.45Å; F200-L235 HydrophobicContact CE2-CD1 3.94Å; F200-L235 HydrophobicContact CG-CD1 4.35Å; L231-L235 HydrophobicContact CD1-CD1 4.08Å; L231-L235 HydrophobicContact CD1-CG 4.17Å; L231-L235 HydrophobicContact CG-CD1 4Å; L231-L235 WeakPolarHBondContact O-CG 3.23Å; L231-L235 PolarHBondContact O-N 3.3Å; Q232-L235 PolarHBondContact O-N 3.48Å; Q232-L235 VanDerWaalsContact O-N 3.14Å; H233-L235 VanDerWaalsContact C-N 3.35Å; L235-D237 PolarHBondContact O-N 3.46Å; L235-Q238 PolarHBondContact O-N 3.23Å; L235-I239 WeakPolarHBondContact O-CB 3.1Å; L235-I239 WeakPolarHBondContact O-CD1 3.26Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.21Å; L235-V267 HydrophobicContact CB-CG1 4.03Å; L235-V267 HydrophobicContact CB-CG2 4.37Å; L235-V267 HydrophobicContact CD1-CG1 4.15Å; L235-V269 HydrophobicContact CD1-CG2 4.25Å
236E94.5Very high91.3Very high21 Ų2159.2 Ų59.210%0.09828%0.278CS..Hα-helixtrans-55.2-52.2173.8-73172.6161.500110.7Q232 H233 Q238 I239 Y240 A265 F266 V267Q232-E236 VanDerWaalsContact O-CG 3.32Å; Q232-E236 WeakPolarHBondContact O-CG 3.27Å; Q232-E236 PolarHBondContact O-N 3.29Å; H233-E236 IonicContact CE1-OE2 2.96Å; H233-E236 IonicContact CG-OE2 3.74Å; H233-E236 IonicContact ND1-OE2 3.84Å; H233-E236 PolarHBondContact ND1-OE2 3.48Å; H233-E236 PolarHBondContact O-N 3.45Å; E236-Q238 PolarHBondContact O-N 3.02Å; E236-I239 PolarHBondContact O-N 3.08Å; E236-Y240 VanDerWaalsContact O-CB 3.3Å; E236-Y240 WeakPolarHBondContact O-CB 3.24Å; E236-Y240 PolarHBondContact O-N 2.83Å; E236-A265 VanDerWaalsContact OE1-CA 3.29Å; E236-A265 WeakPolarHBondContact OE1-CA 3.5Å; E236-F266 HydrophobicContact CB-CD1 4.42Å; E236-F266 HydrophobicContact CB-CE1 3.6Å; E236-F266 HydrophobicContact CB-CE2 4.35Å; E236-F266 HydrophobicContact CB-CZ 3.56Å; E236-F266 HydrophobicContact CG-CD1 3.91Å; E236-F266 HydrophobicContact CG-CD2 4.45Å; E236-F266 HydrophobicContact CG-CE1 3.58Å; E236-F266 HydrophobicContact CG-CE2 4.15Å; E236-F266 HydrophobicContact CG-CG 4.34Å; E236-F266 HydrophobicContact CG-CZ 3.72Å; E236-F266 WeakPolarHBondContact O-CZ 3.38Å; E236-F266 PolarHBondContact OE1-N 3.17Å; E236-V267 HydrophobicContact CB-CG2 4.38Å; E236-V267 HydrophobicContact CG-CB 3.77Å; E236-V267 HydrophobicContact CG-CG2 3.47Å; E236-V267 VanDerWaalsContact CG-CG2 3.47Å; E236-V267 PolarHBondContact OE1-N 3.28Å
237D93.9Very high91.8Very high86 Ų8667.4 Ų67.446%0.4630%0.303SS..Hα-helixtrans-59.2-44.1177.4-89.32.7000112.6H233 L235 R241H233-D237 WeakPolarHBondContact O-CB 3.48Å; H233-D237 PolarHBondContact O-N 3.28Å; L235-D237 PolarHBondContact O-N 3.46Å; D237-R241 WeakPolarHBondContact O-CB 3.26Å; D237-R241 WeakPolarHBondContact O-CG 3.18Å; D237-R241 PolarHBondContact O-N 3.07Å; D237-R241 IonicContact OD2-NH2 3.92Å; D237-R241 PolarHBondContact OD2-NH2 3.49Å; D237-R241 VanDerWaalsContact OD2-NH2 3.11Å
238Q94.8Very high92.3Very high97 Ų9764.1 Ų64.145%0.45328%0.282SS..Hα-helixtrans-63.8-51.5179.8-77174.214.100111.3A234 L235 E236 Y240 R241 I242A234-Q238 WeakPolarHBondContact O-CB 3.44Å; A234-Q238 WeakPolarHBondContact O-CG 3.47Å; A234-Q238 PolarHBondContact O-N 2.66Å; L235-Q238 PolarHBondContact O-N 3.23Å; E236-Q238 PolarHBondContact O-N 3.02Å; Q238-Y240 VanDerWaalsContact C-N 3.35Å; Q238-Y240 PolarHBondContact O-N 3.49Å; Q238-R241 PolarHBondContact O-N 2.93Å; Q238-I242 VanDerWaalsContact O-CG1 3.23Å; Q238-I242 WeakPolarHBondContact O-CG1 3.37Å; Q238-I242 PolarHBondContact O-N 3.33Å
239I95.4Very high92.6Very high0 Ų063.1 Ų63.10%028%0.279CS..Hα-helixtrans-61-46.1-178.5-67.9167.7000110.1F150 F198 F200 L235 E236 R241 I242 F243 F266 V267F150-I239 HydrophobicContact CB-CD1 4.46Å; F150-I239 HydrophobicContact CB-CG1 4.03Å; F150-I239 HydrophobicContact CD1-CG1 4.4Å; F150-I239 HydrophobicContact CD2-CD1 4.01Å; F150-I239 HydrophobicContact CD2-CG1 3.77Å; F150-I239 HydrophobicContact CE2-CG1 4.37Å; F150-I239 HydrophobicContact CG-CD1 4.39Å; F150-I239 HydrophobicContact CG-CG1 3.79Å; F198-I239 HydrophobicContact CB-CD1 4.41Å; F198-I239 HydrophobicContact CD1-CD1 4.15Å; F198-I239 HydrophobicContact CD2-CD1 3.97Å; F198-I239 HydrophobicContact CD2-CG2 4.46Å; F198-I239 HydrophobicContact CE1-CD1 4.49Å; F198-I239 HydrophobicContact CE2-CD1 4.34Å; F198-I239 HydrophobicContact CE2-CG2 3.82Å; F198-I239 HydrophobicContact CG-CD1 3.89Å; F198-I239 HydrophobicContact CZ-CG2 3.86Å; F200-I239 HydrophobicContact CE2-CD1 3.99Å; F200-I239 HydrophobicContact CZ-CD1 4Å; L235-I239 WeakPolarHBondContact O-CB 3.1Å; L235-I239 WeakPolarHBondContact O-CD1 3.26Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.21Å; E236-I239 PolarHBondContact O-N 3.08Å; I239-R241 PolarHBondContact O-N 2.83Å; I239-I242 PolarHBondContact O-N 2.89Å; I239-F243 HydrophobicContact CG2-CD2 3.62Å; I239-F243 HydrophobicContact CG2-CE2 3.29Å; I239-F243 HydrophobicContact CG2-CZ 4.11Å; I239-F243 PolarHBondContact O-N 2.61Å; I239-F266 HydrophobicContact CB-CE2 4.35Å; I239-F266 HydrophobicContact CG2-CE2 4.19Å; I239-V267 HydrophobicContact CD1-CG2 3.95Å
240Y93.6Very high92.7Very high84 Ų8464.5 Ų64.533%0.32929%0.291SS..Hα-helixtrans-59.1-47.5177.9-173-94.4000111.7E236 Q238 I242 F243 R244 L249E236-Y240 VanDerWaalsContact O-CB 3.3Å; E236-Y240 WeakPolarHBondContact O-CB 3.24Å; E236-Y240 PolarHBondContact O-N 2.83Å; Q238-Y240 VanDerWaalsContact C-N 3.35Å; Q238-Y240 PolarHBondContact O-N 3.49Å; Y240-I242 PolarHBondContact O-N 2.78Å; Y240-F243 PolarHBondContact O-N 3.45Å; Y240-R244 HydrophobicContact CD1-CG 3.9Å; Y240-R244 HydrophobicContact CE1-CG 3.54Å; Y240-R244 HydrophobicContact CE2-CG 4.29Å; Y240-R244 HydrophobicContact CG-CG 4.4Å; Y240-R244 VanDerWaalsContact O-CB 3.27Å; Y240-R244 WeakPolarHBondContact O-CB 3.25Å; Y240-R244 VanDerWaalsContact O-CG 3.26Å; Y240-R244 WeakPolarHBondContact O-CG 3.46Å; Y240-R244 PolarHBondContact O-N 3.34Å; Y240-R244 PolarHBondContact OH-NE 3.23Å; Y240-R244 VanDerWaalsContact OH-NE 3.08Å; Y240-R244 PolarHBondContact OH-NH2 3.46Å; Y240-L249 HydrophobicContact CD2-CD1 4.37Å
241R93.8Very high92.5Very high158 Ų15862.5 Ų62.560%0.59629%0.29SS*.Hα-helixtrans-63.1-41.2178.6-72.5173-16216312.3112.3D237 Q238 I239 K245D237-R241 WeakPolarHBondContact O-CB 3.26Å; D237-R241 WeakPolarHBondContact O-CG 3.18Å; D237-R241 PolarHBondContact O-N 3.07Å; D237-R241 IonicContact OD2-NH2 3.92Å; D237-R241 PolarHBondContact OD2-NH2 3.49Å; D237-R241 VanDerWaalsContact OD2-NH2 3.11Å; Q238-R241 PolarHBondContact O-N 2.93Å; I239-R241 PolarHBondContact O-N 2.83Å; R241-K245 VanDerWaalsContact O-CB 3.24Å; R241-K245 WeakPolarHBondContact O-CB 3.38Å; R241-K245 PolarHBondContact O-N 3.36Å
242I95.3Very high92.3Very high48 Ų4865.5 Ų65.525%0.24630%0.303CS..Hα-helixtrans-60.3-55.5178.2-70.3165000109.7F150 D155 Q238 I239 Y240 R244 K245 S246F150-I242 HydrophobicContact CD1-CD1 3.75Å; F150-I242 HydrophobicContact CE1-CD1 4.14Å; F150-I242 HydrophobicContact CE1-CG2 4.27Å; D155-I242 HydrophobicContact CB-CG2 4.2Å; Q238-I242 VanDerWaalsContact O-CG1 3.23Å; Q238-I242 WeakPolarHBondContact O-CG1 3.37Å; Q238-I242 PolarHBondContact O-N 3.33Å; I239-I242 PolarHBondContact O-N 2.89Å; Y240-I242 PolarHBondContact O-N 2.78Å; I242-R244 PolarHBondContact O-N 3.11Å; I242-K245 PolarHBondContact O-N 3.45Å; I242-S246 WeakPolarHBondContact O-CB 3.3Å; I242-S246 PolarHBondContact O-N 3.35Å; I242-S246 PolarHBondContact O-OG 3.39Å
243F94.8Very high91.8Very high0 Ų065.7 Ų65.70%031%0.305CS..Hα-helixtrans-69.5-30.1-176.6-65.3-33.6000114.2F150 D155 F158 F198 I239 Y240 S246 R247 V248 L249 F258F150-F243 HydrophobicContact CE1-CE1 4.32Å; F150-F243 HydrophobicContact CE1-CZ 4.36Å; F150-F243 AromaticContact CE2-CZ 3.97Å; F150-F243 HydrophobicContact CE2-CZ 3.97Å; F150-F243 AromaticContact CZ-CE1 3.73Å; F150-F243 HydrophobicContact CZ-CE1 3.73Å; F150-F243 HydrophobicContact CZ-CE2 4.46Å; F150-F243 AromaticContact CZ-CZ 3.47Å; F150-F243 HydrophobicContact CZ-CZ 3.47Å; F150-F243 VanDerWaalsContact CZ-CZ 3.47Å; D155-F243 HydrophobicContact CB-CE1 4.34Å; F158-F243 AromaticContact CD2-CE1 3.8Å; F158-F243 HydrophobicContact CD2-CE1 3.8Å; F158-F243 AromaticContact CD2-CZ 3.86Å; F158-F243 HydrophobicContact CD2-CZ 3.86Å; F158-F243 HydrophobicContact CE2-CE1 4.13Å; F158-F243 AromaticContact CE2-CZ 3.74Å; F158-F243 HydrophobicContact CE2-CZ 3.74Å; F198-F243 HydrophobicContact CE2-CE2 4.47Å; F198-F243 AromaticContact CZ-CE2 3.74Å; F198-F243 HydrophobicContact CZ-CE2 3.74Å; F198-F243 HydrophobicContact CZ-CZ 4.16Å; I239-F243 HydrophobicContact CG2-CD2 3.62Å; I239-F243 HydrophobicContact CG2-CE2 3.29Å; I239-F243 HydrophobicContact CG2-CZ 4.11Å; I239-F243 PolarHBondContact O-N 2.61Å; Y240-F243 PolarHBondContact O-N 3.45Å; F243-S246 WeakPolarHBondContact CA-OG 3.39Å; F243-S246 PolarHBondContact O-OG 3.46Å; F243-R247 PolarHBondContact O-N 3.48Å; F243-R247 VanDerWaalsContact O-N 3.16Å; F243-V248 HydrophobicContact CB-CB 4.18Å; F243-V248 HydrophobicContact CD1-CB 4.22Å; F243-V248 HydrophobicContact CD1-CG1 4.28Å; F243-V248 HydrophobicContact CG-CB 4.44Å; F243-V248 HydrophobicContact CG-CG1 4.44Å; F243-V248 PolarHBondContact O-N 3.31Å; F243-L249 HydrophobicContact CB-CB 4.18Å; F243-L249 HydrophobicContact CB-CD1 3.71Å; F243-L249 HydrophobicContact CB-CG 3.7Å; F243-L249 HydrophobicContact CD2-CD1 4.08Å; F243-L249 HydrophobicContact CD2-CG 4.44Å; F243-L249 HydrophobicContact CG-CD1 4.4Å; F243-L249 HydrophobicContact CG-CG 4.48Å; F243-L249 PolarHBondContact O-N 2.88Å; F243-L249 VanDerWaalsContact O-N 3.12Å; F243-F258 HydrophobicContact CD2-CE2 4.07Å; F243-F258 HydrophobicContact CD2-CZ 4.01Å; F243-F258 AromaticContact CE2-CE2 4Å; F243-F258 HydrophobicContact CE2-CE2 4Å; F243-F258 AromaticContact CE2-CZ 3.81Å; F243-F258 HydrophobicContact CE2-CZ 3.81Å; F243-F258 HydrophobicContact CG-CZ 4.45Å; F243-F258 HydrophobicContact CZ-CZ 4.1Å
244R91.8Very high91.3Very high63 Ų6364.4 Ų64.424%0.23830%0.303CS..Hα-helixtrans-66.9-44.4171.2-78.1-55.4-155.4154.38.3111.9Y240 I242 S246 R247 L249 T250 N251Y240-R244 HydrophobicContact CD1-CG 3.9Å; Y240-R244 HydrophobicContact CE1-CG 3.54Å; Y240-R244 HydrophobicContact CE2-CG 4.29Å; Y240-R244 HydrophobicContact CG-CG 4.4Å; Y240-R244 VanDerWaalsContact O-CB 3.27Å; Y240-R244 WeakPolarHBondContact O-CB 3.25Å; Y240-R244 VanDerWaalsContact O-CG 3.26Å; Y240-R244 WeakPolarHBondContact O-CG 3.46Å; Y240-R244 PolarHBondContact O-N 3.34Å; Y240-R244 PolarHBondContact OH-NE 3.23Å; Y240-R244 VanDerWaalsContact OH-NE 3.08Å; Y240-R244 PolarHBondContact OH-NH2 3.46Å; I242-R244 PolarHBondContact O-N 3.11Å; R244-S246 VanDerWaalsContact C-N 3.33Å; R244-S246 PolarHBondContact O-N 2.97Å; R244-R247 PolarHBondContact O-N 3.48Å; R244-L249 WeakPolarHBondContact CD-O 3.47Å; R244-L249 PolarHBondContact NH1-O 3.22Å; R244-T250 PolarHBondContact NH1-O 2.93Å; R244-N251 PolarHBondContact NH1-OD1 3.03Å; R244-N251 PolarHBondContact NH2-OD1 3.27Å
245K94.2Very high90.9Very high189 Ų18967.3 Ų67.382%0.82231%0.313SS*.Hα-helixtrans-66.1-37.2179-173.1173.9-178.31790111.8R241 I242 R247R241-K245 VanDerWaalsContact O-CB 3.24Å; R241-K245 WeakPolarHBondContact O-CB 3.38Å; R241-K245 PolarHBondContact O-N 3.36Å; I242-K245 PolarHBondContact O-N 3.45Å; K245-R247 VanDerWaalsContact C-N 3.28Å; K245-R247 PolarHBondContact O-N 2.86Å
246S92.9Very high90.7Very high24 Ų2467.4 Ų67.417%0.16831%0.314CS..THydrogen-bonded Turntrans-82.7-0.9178.169.60000114.8D155 I242 F243 R244 V248D155-S246 WeakPolarHBondContact OD1-CB 3.45Å; D155-S246 PolarHBondContact OD1-OG 3.37Å; I242-S246 WeakPolarHBondContact O-CB 3.3Å; I242-S246 PolarHBondContact O-N 3.35Å; I242-S246 PolarHBondContact O-OG 3.39Å; F243-S246 WeakPolarHBondContact CA-OG 3.39Å; F243-S246 PolarHBondContact O-OG 3.46Å; R244-S246 VanDerWaalsContact C-N 3.33Å; R244-S246 PolarHBondContact O-N 2.97Å; S246-V248 PolarHBondContact O-N 3.11Å; S246-V248 WeakPolarHBondContact OG-CG2 3.36Å
247R92.1Very high90.6Very high210 Ų21066.5 Ų66.579%0.79231%0.31SS*.THydrogen-bonded Turntrans61.417.5-177.5-54.3-176.8178.6-175.1-0.5115F243 R244 K245 L249F243-R247 PolarHBondContact O-N 3.48Å; F243-R247 VanDerWaalsContact O-N 3.16Å; R244-R247 PolarHBondContact O-N 3.48Å; K245-R247 VanDerWaalsContact C-N 3.28Å; K245-R247 PolarHBondContact O-N 2.86Å; R247-L249 VanDerWaalsContact C-N 3.29Å
248V93.1Very high90.6Very high14 Ų1462.4 Ų62.49%0.08529%0.288CS..SBendtrans-66.4-36.5169.2173.90000110.3F158 R159 F243 S246 F258F158-V248 HydrophobicContact CB-CG1 4.03Å; F158-V248 HydrophobicContact CB-CG2 4.45Å; R159-V248 HydrophobicContact CG-CG2 3.59Å; F243-V248 HydrophobicContact CB-CB 4.18Å; F243-V248 HydrophobicContact CD1-CB 4.22Å; F243-V248 HydrophobicContact CD1-CG1 4.28Å; F243-V248 HydrophobicContact CG-CB 4.44Å; F243-V248 HydrophobicContact CG-CG1 4.44Å; F243-V248 PolarHBondContact O-N 3.31Å; S246-V248 PolarHBondContact O-N 3.11Å; S246-V248 WeakPolarHBondContact OG-CG2 3.36Å; V248-F258 HydrophobicContact CG1-CE1 3.68Å; V248-F258 HydrophobicContact CG1-CZ 3.64Å
249L91.8Very high90.5Very high14 Ų1458 Ų587%0.07327%0.268CS..SBendtrans-103.9114.5171.4-69.7178000110.6Y240 F243 R244 R247 F258 V260Y240-L249 HydrophobicContact CD2-CD1 4.37Å; F243-L249 HydrophobicContact CB-CB 4.18Å; F243-L249 HydrophobicContact CB-CD1 3.71Å; F243-L249 HydrophobicContact CB-CG 3.7Å; F243-L249 HydrophobicContact CD2-CD1 4.08Å; F243-L249 HydrophobicContact CD2-CG 4.44Å; F243-L249 HydrophobicContact CG-CD1 4.4Å; F243-L249 HydrophobicContact CG-CG 4.48Å; F243-L249 PolarHBondContact O-N 2.88Å; F243-L249 VanDerWaalsContact O-N 3.12Å; R244-L249 WeakPolarHBondContact CD-O 3.47Å; R244-L249 PolarHBondContact NH1-O 3.22Å; R247-L249 VanDerWaalsContact C-N 3.29Å; L249-F258 HydrophobicContact CD2-CD2 4.14Å; L249-F258 HydrophobicContact CD2-CE2 3.95Å; L249-F258 WeakPolarHBondContact CD2-O 3.38Å; L249-F258 HydrophobicContact CG-CE2 4.45Å; L249-V260 HydrophobicContact CD1-CB 4.15Å; L249-V260 HydrophobicContact CD1-CG2 3.85Å; L249-V260 HydrophobicContact CD2-CG2 4.36Å
250T88.5Confident90.4Very high60 Ų6058.6 Ų58.637%0.36827%0.271SS..  trans-104.2178.7174.778.90000111.1R244 Q252 C256R244-T250 PolarHBondContact NH1-O 2.93Å; T250-Q252 VanDerWaalsContact C-N 3.27Å; T250-Q252 PolarHBondContact OG1-N 2.81Å; T250-Q252 PolarHBondContact OG1-O 3.21Å; T250-C256 PolarHBondContact N-SG 3.15Å; T250-C256 PolarHBondContact OG1-SG 3.39Å
251N84.8Confident90.1Very high96 Ų9654.8 Ų54.851%0.51326%0.257SS..SBendtrans-73.5-22.3178.9-65.9-14.5000112.7R244 V356R244-N251 PolarHBondContact NH1-OD1 3.03Å; R244-N251 PolarHBondContact NH2-OD1 3.27Å; N251-V356 WeakPolarHBondContact CA-O 2.9Å; N251-V356 VanDerWaalsContact CB-O 3.28Å; N251-V356 WeakPolarHBondContact CB-O 3.42Å; N251-V356 PolarHBondContact O-N 3.18Å
252Q83.7Confident89.4Confident103 Ų10350.2 Ų50.248%0.48125%0.253SS..  trans-103.3107179.4-67.1179.19.500109.1T250 S254 N255 C256T250-Q252 VanDerWaalsContact C-N 3.27Å; T250-Q252 PolarHBondContact OG1-N 2.81Å; T250-Q252 PolarHBondContact OG1-O 3.21Å; Q252-S254 PolarHBondContact O-N 3.47Å; Q252-N255 PolarHBondContact O-N 3.05Å; Q252-N255 PolarHBondContact OE1-ND2 3.02Å; Q252-C256 PolarHBondContact O-SG 3.37Å
253S81.8Confident88.7Confident5 Ų555.7 Ų55.74%0.03528%0.283CS..G310 helixtrans-57.6-34.1179.155.20000112.7N255 C256 T259 S355S253-N255 VanDerWaalsContact C-N 3.27Å; S253-N255 PolarHBondContact O-N 3.47Å; S253-C256 PolarHBondContact O-N 3.31Å; S253-T259 VanDerWaalsContact CB-CG2 3.45Å; S253-S355 PolarHBondContact OG-OG 3.48Å
254S80.9Confident88.2Confident38 Ų3858.8 Ų58.827%0.26630%0.297SS..G310 helixtrans-62.8-26.5-179.956.90000114.6R190 Q252R190-S254 PolarHBondContact NH2-O 3.2Å; Q252-S254 PolarHBondContact O-N 3.47Å
255N83.1Confident88.1Confident100 Ų10056.3 Ų56.354%0.53529%0.291SS..G310 helixtrans-95.5-13.2179.8-65.7-24.6000112.8Q252 S253Q252-N255 PolarHBondContact O-N 3.05Å; Q252-N255 PolarHBondContact OE1-ND2 3.02Å; S253-N255 VanDerWaalsContact C-N 3.27Å; S253-N255 PolarHBondContact O-N 3.47Å
256C90.1Very high88Confident5 Ų547.9 Ų47.93%0.03425%0.254CS..SBendtrans-80156.6179.8-570000110.8R190 T250 Q252 S253 F258R190-C256 PolarHBondContact NH1-O 3.15Å; R190-C256 PolarHBondContact NH2-O 2.95Å; T250-C256 PolarHBondContact N-SG 3.15Å; T250-C256 PolarHBondContact OG1-SG 3.39Å; Q252-C256 PolarHBondContact O-SG 3.37Å; S253-C256 PolarHBondContact O-N 3.31Å; C256-F258 VanDerWaalsContact C-N 3.31Å; C256-F258 VanDerWaalsContact CB-O 3.26Å; C256-F258 WeakPolarHBondContact CB-O 3.48Å
257L91.9Very high88.1Confident2 Ų246.7 Ų46.71%0.0125%0.246CC..SBendtrans-63.7-40.1170.6-178.163.7000111.1F135 F158 L161 D162 R190 P194F135-L257 HydrophobicContact CB-CD1 4Å; F135-L257 HydrophobicContact CD1-CD1 4Å; F135-L257 HydrophobicContact CD1-CD2 4.3Å; F135-L257 HydrophobicContact CD1-CG 3.71Å; F135-L257 HydrophobicContact CD2-CD1 4.43Å; F135-L257 HydrophobicContact CD2-CD2 4.36Å; F135-L257 HydrophobicContact CD2-CG 4.47Å; F135-L257 HydrophobicContact CE1-CD2 4.18Å; F135-L257 HydrophobicContact CE1-CG 3.93Å; F135-L257 HydrophobicContact CE2-CD2 4.24Å; F135-L257 HydrophobicContact CG-CD1 3.9Å; F135-L257 HydrophobicContact CG-CD2 4.43Å; F135-L257 HydrophobicContact CG-CG 4.05Å; F135-L257 HydrophobicContact CZ-CD2 4.17Å; F135-L257 HydrophobicContact CZ-CG 4.41Å; F158-L257 HydrophobicContact CB-CD2 4.38Å; F158-L257 HydrophobicContact CD1-CD2 4.23Å; L161-L257 HydrophobicContact CB-CD2 3.81Å; L161-L257 HydrophobicContact CD1-CD2 4.46Å; D162-L257 HydrophobicContact CB-CB 4.43Å; R190-L257 PolarHBondContact NH1-O 3.25Å; P194-L257 WeakPolarHBondContact CD-O 3.45Å
258F94.5Very high88.1Confident0 Ų037.4 Ų37.40%021%0.211CC..  trans-148.4170.3178.360.6-93.5000111.8F135 F158 P194 L196 F243 V248 L249 C256 V260F135-F258 HydrophobicContact CD1-CB 4.34Å; F135-F258 HydrophobicContact CE1-CB 3.8Å; F135-F258 AromaticContact CE1-CD1 3.72Å; F135-F258 HydrophobicContact CE1-CD1 3.72Å; F135-F258 HydrophobicContact CE1-CG 4.13Å; F135-F258 HydrophobicContact CZ-CD1 4.17Å; F158-F258 HydrophobicContact CB-CE1 4.09Å; F158-F258 HydrophobicContact CD1-CE1 4.07Å; F158-F258 AromaticContact CD2-CE1 3.67Å; F158-F258 HydrophobicContact CD2-CE1 3.67Å; F158-F258 AromaticContact CD2-CZ 3.88Å; F158-F258 HydrophobicContact CD2-CZ 3.88Å; F158-F258 HydrophobicContact CE1-CE1 4.46Å; F158-F258 HydrophobicContact CE2-CE1 4.07Å; F158-F258 HydrophobicContact CE2-CZ 4.13Å; F158-F258 AromaticContact CG-CE1 3.69Å; F158-F258 HydrophobicContact CG-CE1 3.69Å; F158-F258 HydrophobicContact CG-CZ 4.35Å; F158-F258 HydrophobicContact CZ-CE1 4.46Å; P194-F258 HydrophobicContact CG-CB 4.32Å; P194-F258 CarbonylContact O-C 3.55Å; P194-F258 VanDerWaalsContact O-CA 3.24Å; P194-F258 WeakPolarHBondContact O-CA 3.32Å; P194-F258 VanDerWaalsContact O-CB 3.23Å; P194-F258 WeakPolarHBondContact O-CB 3.3Å; L196-F258 HydrophobicContact CB-CB 4.21Å; L196-F258 HydrophobicContact CB-CD2 3.56Å; L196-F258 HydrophobicContact CB-CE2 4.11Å; L196-F258 HydrophobicContact CB-CG 3.95Å; L196-F258 HydrophobicContact CD2-CD1 4.16Å; L196-F258 HydrophobicContact CD2-CD2 3.85Å; L196-F258 HydrophobicContact CD2-CE1 3.99Å; L196-F258 HydrophobicContact CD2-CE2 3.67Å; L196-F258 HydrophobicContact CD2-CG 4.11Å; L196-F258 HydrophobicContact CD2-CZ 3.74Å; L196-F258 HydrophobicContact CG-CD2 4.37Å; F243-F258 HydrophobicContact CD2-CE2 4.07Å; F243-F258 HydrophobicContact CD2-CZ 4.01Å; F243-F258 AromaticContact CE2-CE2 4Å; F243-F258 HydrophobicContact CE2-CE2 4Å; F243-F258 AromaticContact CE2-CZ 3.81Å; F243-F258 HydrophobicContact CE2-CZ 3.81Å; F243-F258 HydrophobicContact CG-CZ 4.45Å; F243-F258 HydrophobicContact CZ-CZ 4.1Å; V248-F258 HydrophobicContact CG1-CE1 3.68Å; V248-F258 HydrophobicContact CG1-CZ 3.64Å; L249-F258 HydrophobicContact CD2-CD2 4.14Å; L249-F258 HydrophobicContact CD2-CE2 3.95Å; L249-F258 WeakPolarHBondContact CD2-O 3.38Å; L249-F258 HydrophobicContact CG-CE2 4.45Å; C256-F258 VanDerWaalsContact C-N 3.31Å; C256-F258 VanDerWaalsContact CB-O 3.26Å; C256-F258 WeakPolarHBondContact CB-O 3.48Å; F258-V260 HydrophobicContact CD2-CG2 4.25Å; F258-V260 HydrophobicContact CE2-CG2 4.05Å
259T93.1Very high87.9Confident5 Ų536.7 Ų36.73%0.03121%0.207CC..BIsolated β-bridgetrans-117.3160.3173.764.60000111.9P193 P194 R195 L196 S253 D354P193-T259 HydrophobicContact CB-CG2 3.82Å; P194-T259 PolarHBondContact O-N 3.16Å; R195-T259 WeakPolarHBondContact CA-O 3.47Å; R195-T259 VanDerWaalsContact CG-OG1 3.28Å; R195-T259 WeakPolarHBondContact CG-OG1 3.26Å; L196-T259 PolarHBondContact N-O 2.94Å; S253-T259 VanDerWaalsContact CB-CG2 3.45Å; T259-D354 WeakPolarHBondContact CB-OD2 3.44Å; T259-D354 HydrophobicContact CG2-CB 4.2Å; T259-D354 PolarHBondContact OG1-OD2 3.19Å
260V92.3Very high87.7Confident12 Ų1237.4 Ų37.47%0.07321%0.21CC..  trans-127.3129.7171.9176.30000107.6L249 F258 F266L249-V260 HydrophobicContact CD1-CB 4.15Å; L249-V260 HydrophobicContact CD1-CG2 3.85Å; L249-V260 HydrophobicContact CD2-CG2 4.36Å; F258-V260 HydrophobicContact CD2-CG2 4.25Å; F258-V260 HydrophobicContact CE2-CG2 4.05Å; V260-F266 HydrophobicContact CG1-CB 4.28Å; V260-F266 HydrophobicContact CG1-CD1 3.4Å; V260-F266 VanDerWaalsContact CG1-CD1 3.4Å; V260-F266 HydrophobicContact CG1-CD2 3.52Å; V260-F266 HydrophobicContact CG1-CE1 3.38Å; V260-F266 HydrophobicContact CG1-CE2 3.52Å; V260-F266 HydrophobicContact CG1-CG 3.46Å; V260-F266 VanDerWaalsContact CG1-CG 3.46Å; V260-F266 HydrophobicContact CG1-CZ 3.43Å; V260-F266 VanDerWaalsContact CG1-CZ 3.43Å
261P88.6Confident87.4Confident4 Ų437.4 Ų37.43%0.02621%0.211CC..  trans-58.7139178.7-22.330000113.1Q264 F266P261-Q264 HydrophobicContact CB-CB 3.81Å; P261-Q264 HydrophobicContact CG-CB 4.47Å; P261-F266 HydrophobicContact CG-CB 4.17Å
262A77.8Confident86.7Confident63 Ų6334.2 Ų34.252%0.52120%0.198SC..SBendtrans-83.3-36.4176.800000113.5V356A262-V356 HydrophobicContact CB-CG1 4.18Å
263N80.2Confident85.7Confident163 Ų16331.6 Ų31.687%0.87219%0.194SC*.SBendtrans-118.43.8-171.2-62.9-30.9000113.6
264Q86.3Confident84.3Confident64 Ų6437.1 Ų37.130%0.29922%0.223SC..SBendtrans-119.2150.2179.5-60.4-177.6-30.800109.1P261 F266 H342P261-Q264 HydrophobicContact CB-CB 3.81Å; P261-Q264 HydrophobicContact CG-CB 4.47Å; Q264-F266 PolarHBondContact O-N 2.75Å; Q264-H342 PolarHBondContact OE1-CE1 2.7Å; Q264-H342 PolarHBondContact OE1-ND1 2.93Å
265A87.9Confident83.3Confident12 Ų1241 Ų4110%0.09924%0.237CC..  trans-65.1135.2175.200000109.2E236 F338 H342E236-A265 VanDerWaalsContact OE1-CA 3.29Å; E236-A265 WeakPolarHBondContact OE1-CA 3.5Å; A265-F338 HydrophobicContact CB-CD2 4.37Å; A265-F338 HydrophobicContact CB-CE2 4.14Å; A265-F338 WeakPolarHBondContact O-CE2 3.17Å; A265-H342 PolarHBondContact O-NE2 3.27Å; A265-H342 VanDerWaalsContact O-NE2 3.12Å
266F93.3Very high82.7Confident11 Ų1140.1 Ų40.15%0.04823%0.232CC..  trans-127.91177.869.4-93.7000112.9L197 F198 E236 I239 V260 P261 Q264L197-F266 CarbonylContact C-O 3.49Å; L197-F266 WeakPolarHBondContact CA-O 3.41Å; L197-F266 HydrophobicContact CD2-CB 3.9Å; F198-F266 AromaticContact CD2-CD2 3.83Å; F198-F266 HydrophobicContact CD2-CD2 3.83Å; F198-F266 HydrophobicContact CD2-CE2 4.13Å; F198-F266 HydrophobicContact CE2-CD2 4.11Å; F198-F266 HydrophobicContact CE2-CE2 4.22Å; F198-F266 PolarHBondContact N-O 2.85Å; E236-F266 HydrophobicContact CB-CD1 4.42Å; E236-F266 HydrophobicContact CB-CE1 3.6Å; E236-F266 HydrophobicContact CB-CE2 4.35Å; E236-F266 HydrophobicContact CB-CZ 3.56Å; E236-F266 HydrophobicContact CG-CD1 3.91Å; E236-F266 HydrophobicContact CG-CD2 4.45Å; E236-F266 HydrophobicContact CG-CE1 3.58Å; E236-F266 HydrophobicContact CG-CE2 4.15Å; E236-F266 HydrophobicContact CG-CG 4.34Å; E236-F266 HydrophobicContact CG-CZ 3.72Å; E236-F266 WeakPolarHBondContact O-CZ 3.38Å; E236-F266 PolarHBondContact OE1-N 3.17Å; I239-F266 HydrophobicContact CB-CE2 4.35Å; I239-F266 HydrophobicContact CG2-CE2 4.19Å; V260-F266 HydrophobicContact CG1-CB 4.28Å; V260-F266 HydrophobicContact CG1-CD1 3.4Å; V260-F266 VanDerWaalsContact CG1-CD1 3.4Å; V260-F266 HydrophobicContact CG1-CD2 3.52Å; V260-F266 HydrophobicContact CG1-CE1 3.38Å; V260-F266 HydrophobicContact CG1-CE2 3.52Å; V260-F266 HydrophobicContact CG1-CG 3.46Å; V260-F266 VanDerWaalsContact CG1-CG 3.46Å; V260-F266 HydrophobicContact CG1-CZ 3.43Å; V260-F266 VanDerWaalsContact CG1-CZ 3.43Å; P261-F266 HydrophobicContact CG-CB 4.17Å; Q264-F266 PolarHBondContact O-N 2.75Å
267V94.1Very high82Confident0 Ų041.4 Ų41.40%024%0.241CC..EExtended strand (participates in β ladder)trans-117.4128.4171.9179.60000110.1F198 F200 Q232 L235 E236 I239F198-V267 HydrophobicContact CB-CG2 4.23Å; F198-V267 HydrophobicContact CD2-CG2 4.41Å; F198-V267 CarbonylContact O-C 3.53Å; F198-V267 WeakPolarHBondContact O-CA 3.44Å; F200-V267 HydrophobicContact CD2-CG1 3.62Å; F200-V267 HydrophobicContact CE2-CG1 3.74Å; Q232-V267 HydrophobicContact CG-CG1 4.5Å; L235-V267 HydrophobicContact CB-CG1 4.03Å; L235-V267 HydrophobicContact CB-CG2 4.37Å; L235-V267 HydrophobicContact CD1-CG1 4.15Å; E236-V267 HydrophobicContact CB-CG2 4.38Å; E236-V267 HydrophobicContact CG-CB 3.77Å; E236-V267 HydrophobicContact CG-CG2 3.47Å; E236-V267 VanDerWaalsContact CG-CG2 3.47Å; E236-V267 PolarHBondContact OE1-N 3.28Å; I239-V267 HydrophobicContact CD1-CG2 3.95Å
268Y92.2Very high81.6Confident14 Ų1445.3 Ų45.36%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-114.3143169.3-167.8-100.3000110.6F198 V199 F200 R228 I270 C333 L335 F338F198-Y268 PolarHBondContact O-N 3.31Å; V199-Y268 WeakPolarHBondContact CA-O 3.38Å; V199-Y268 HydrophobicContact CG1-CD1 4.42Å; F200-Y268 PolarHBondContact N-O 3.28Å; R228-Y268 PolarHBondContact NH1-OH 3.14Å; Y268-I270 HydrophobicContact CD1-CG1 4.22Å; Y268-I270 HydrophobicContact CE1-CG1 4.27Å; Y268-C333 WeakPolarHBondContact CE2-O 3.4Å; Y268-C333 PolarHBondContact OH-O 3.03Å; Y268-L335 HydrophobicContact CD1-CD1 3.69Å; Y268-L335 HydrophobicContact CE1-CB 4.05Å; Y268-L335 HydrophobicContact CE1-CD1 3.96Å; Y268-L335 HydrophobicContact CG-CD1 4.18Å; Y268-L335 PolarHBondContact OH-N 2.51Å; Y268-F338 HydrophobicContact CD2-CB 4.01Å; Y268-F338 HydrophobicContact CD2-CD1 4.39Å; Y268-F338 HydrophobicContact CD2-CD2 4.34Å; Y268-F338 AromaticContact CD2-CG 3.99Å; Y268-F338 HydrophobicContact CD2-CG 3.99Å; Y268-F338 HydrophobicContact CE2-CB 4.49Å; Y268-F338 HydrophobicContact CG-CD1 4.31Å; Y268-F338 HydrophobicContact CG-CG 4.36Å
269V89.9Confident81Confident0 Ų046.8 Ų46.80%028%0.279CS..EExtended strand (participates in β ladder)trans-120.7111.4175178.90000107.8F200 M202 R228 L231 Q232 L235F200-V269 HydrophobicContact CB-CG2 4.38Å; F200-V269 CarbonylContact O-C 3.56Å; F200-V269 VanDerWaalsContact O-CA 3.29Å; F200-V269 WeakPolarHBondContact O-CA 2.96Å; M202-V269 HydrophobicContact CB-CG1 3.91Å; M202-V269 HydrophobicContact CG-CG1 4.35Å; M202-V269 HydrophobicContact SD-CG1 4.19Å; R228-V269 HydrophobicContact CG-CB 4.11Å; R228-V269 HydrophobicContact CG-CG1 4.38Å; R228-V269 PolarHBondContact NH1-O 3.07Å; L231-V269 HydrophobicContact CD2-CG1 4.41Å; L231-V269 HydrophobicContact CD2-CG2 4.34Å; Q232-V269 HydrophobicContact CG-CB 4.32Å; Q232-V269 HydrophobicContact CG-CG2 3.76Å; L235-V269 HydrophobicContact CD1-CG2 4.25Å
270I87Confident80.6Confident28 Ų2848.9 Ų48.914%0.14430%0.297CS..EExtended strand (participates in β ladder)trans-64.9125.1175.1-51.8173.6000107.3L51 V199 F200 M202 Y268L51-I270 HydrophobicContact CD2-CD1 3.76Å; L51-I270 HydrophobicContact CD2-CG1 4.49Å; L51-I270 HydrophobicContact CG-CD1 4.42Å; V199-I270 HydrophobicContact CG1-CD1 3.65Å; V199-I270 HydrophobicContact CG1-CG1 3.62Å; F200-I270 PolarHBondContact O-N 3.2Å; M202-I270 VanDerWaalsContact CB-O 3.23Å; M202-I270 WeakPolarHBondContact CB-O 3.21Å; M202-I270 PolarHBondContact N-O 3.12Å; Y268-I270 HydrophobicContact CD1-CG1 4.22Å; Y268-I270 HydrophobicContact CE1-CG1 4.27Å
271P82.1Confident80.3Confident61 Ų6153.7 Ų53.740%0.39632%0.322SS..  trans-61.6148.6177.127.4-32.8000110.2A273P271-A273 VanDerWaalsContact C-N 3.35Å; P271-A273 PolarHBondContact O-N 3.43Å
272A69.8Low80.3Confident28 Ų2858.5 Ų58.523%0.23135%0.347CS..  trans-67.395.117400000108.8M202M202-A272 HydrophobicContact CB-CB 4.37Å; M202-A272 WeakPolarHBondContact O-CB 3.37Å
273A62.1Low80.7Confident48 Ų4857.1 Ų57.140%0.39734%0.338SS..  trans-97.1135.3167.300000108.4P271 H275P271-A273 VanDerWaalsContact C-N 3.35Å; P271-A273 PolarHBondContact O-N 3.43Å; A273-H275 VanDerWaalsContact CB-NE2 3.27Å; A273-H275 WeakPolarHBondContact CB-NE2 3.24Å; A273-H275 PolarHBondContact O-CD2 3.31Å; A273-H275 PolarHBondContact O-N 2.91Å
274D54Low81Confident121 Ų12154.9 Ų54.965%0.64732%0.322SS*.  trans-7080.9174-68.6-30.1000107.4K207 D276K207-D274 IonicContact NZ-OD1 2.71Å; K207-D274 PolarHBondContact NZ-OD1 3.15Å; K207-D274 IonicContact NZ-OD2 2.77Å; K207-D274 PolarHBondContact NZ-OD2 3.13Å; D274-D276 PolarHBondContact O-N 3.4Å
275H59.1Low81.1Confident119 Ų11956.6 Ų56.655%0.55133%0.333SS*.  trans-84.825.1-177.1-71.9-61.5000113A273 P277A273-H275 VanDerWaalsContact CB-NE2 3.27Å; A273-H275 WeakPolarHBondContact CB-NE2 3.24Å; A273-H275 PolarHBondContact O-CD2 3.31Å; A273-H275 PolarHBondContact O-N 2.91Å; H275-P277 WeakPolarHBondContact O-CD 3.39Å
276D70Confident81.2Confident82 Ų8264.8 Ų64.844%0.43936%0.362SS..  trans-77.1108.6165.5179.311.6000108D274 V278 G279 A280D274-D276 PolarHBondContact O-N 3.4Å; D276-V278 PolarHBondContact O-N 2.98Å; D276-V278 PolarHBondContact OD1-N 3.33Å; D276-G279 PolarHBondContact O-N 3.01Å; D276-G279 PolarHBondContact OD1-N 2.99Å; D276-G279 WeakPolarHBondContact OD2-CA 3.36Å; D276-G279 PolarHBondContact OD2-N 3.36Å; D276-A280 WeakPolarHBondContact O-CB 3.5Å; D276-A280 PolarHBondContact O-N 3.22Å
277P75.3Confident81Confident33 Ų3367.3 Ų67.321%0.21438%0.381CS..Hα-helixtrans-60.2-33.5179.427-35.6000111.4L63 H275 L281L63-P277 HydrophobicContact CD2-CG 4.29Å; H275-P277 WeakPolarHBondContact O-CD 3.39Å; P277-L281 WeakPolarHBondContact O-CG 2.99Å; P277-L281 PolarHBondContact O-N 3.18Å; P277-L281 VanDerWaalsContact O-N 3.12Å
278V83.4Confident80.7Confident84 Ų8472.2 Ų72.251%0.50941%0.407SS..Hα-helixtrans-71.8-47.3177.5-178.30000109.6D276 A280 L281 L282D276-V278 PolarHBondContact O-N 2.98Å; D276-V278 PolarHBondContact OD1-N 3.33Å; V278-A280 VanDerWaalsContact C-N 3.27Å; V278-A280 PolarHBondContact O-N 2.63Å; V278-L281 PolarHBondContact O-N 2.55Å; V278-L281 VanDerWaalsContact O-N 3.15Å; V278-L282 HydrophobicContact CG1-CD1 4.05Å; V278-L282 HydrophobicContact CG1-CG 4.34Å; V278-L282 VanDerWaalsContact O-CG 3.31Å; V278-L282 WeakPolarHBondContact O-CG 3.17Å; V278-L282 PolarHBondContact O-N 3.28Å
279G82.7Confident80.4Confident30 Ų3074.9 Ų74.931%0.30943%0.427SS..Hα-helixtrans-55.5-39.317300000113.4D276 L282 G283D276-G279 PolarHBondContact O-N 3.01Å; D276-G279 PolarHBondContact OD1-N 2.99Å; D276-G279 WeakPolarHBondContact OD2-CA 3.36Å; D276-G279 PolarHBondContact OD2-N 3.36Å; G279-L282 PolarHBondContact O-N 2.97Å; G279-G283 PolarHBondContact O-N 2.95Å
280A83.7Confident80.3Confident49 Ų4979.2 Ų79.241%0.40545%0.449SS..Hα-helixtrans-64.6-45.5175.200000111.9D276 V278 G283 Q284D276-A280 WeakPolarHBondContact O-CB 3.5Å; D276-A280 PolarHBondContact O-N 3.22Å; V278-A280 VanDerWaalsContact C-N 3.27Å; V278-A280 PolarHBondContact O-N 2.63Å; A280-G283 PolarHBondContact O-N 3.5Å; A280-Q284 WeakPolarHBondContact O-CG 3.49Å; A280-Q284 PolarHBondContact O-N 3.23Å
281L86.8Confident79.3Confident114 Ų11483.3 Ų83.360%0.59747%0.471SS*.Hα-helixtrans-63.1-41175-70.3171.5000112P277 V278 G283 Q284 L285P277-L281 WeakPolarHBondContact O-CG 2.99Å; P277-L281 PolarHBondContact O-N 3.18Å; P277-L281 VanDerWaalsContact O-N 3.12Å; V278-L281 PolarHBondContact O-N 2.55Å; V278-L281 VanDerWaalsContact O-N 3.15Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.41Å; L281-Q284 PolarHBondContact O-N 3.24Å; L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 PolarHBondContact O-N 3.12Å
282L87.9Confident78.1Confident105 Ų10584.2 Ų84.255%0.5548%0.479SS..Hα-helixtrans-64.8-37.2174.7-68.9173.6000111.8V278 G279 L285 R286V278-L282 HydrophobicContact CG1-CD1 4.05Å; V278-L282 HydrophobicContact CG1-CG 4.34Å; V278-L282 VanDerWaalsContact O-CG 3.31Å; V278-L282 WeakPolarHBondContact O-CG 3.17Å; V278-L282 PolarHBondContact O-N 3.28Å; G279-L282 PolarHBondContact O-N 2.97Å; L282-L285 PolarHBondContact O-N 3Å; L282-R286 WeakPolarHBondContact O-CB 3.49Å; L282-R286 PolarHBondContact O-N 3.16Å
283G86.5Confident77.4Confident33 Ų3389.5 Ų89.534%0.3450%0.503SS..Hα-helixtrans-66.8-40.517400000112.8G279 A280 L281 R286 S287G279-G283 PolarHBondContact O-N 2.95Å; A280-G283 PolarHBondContact O-N 3.5Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.41Å; G283-R286 PolarHBondContact O-N 3.18Å; G283-S287 WeakPolarHBondContact O-CB 3.42Å; G283-S287 PolarHBondContact O-N 3.4Å; G283-S287 PolarHBondContact O-OG 3.19Å
284Q86.4Confident77Confident116 Ų11694 Ų9454%0.54252%0.516SS..Hα-helixtrans-64.4-44.6172.2-74-179.1-700111.3A280 L281 R286 S287 N288A280-Q284 WeakPolarHBondContact O-CG 3.49Å; A280-Q284 PolarHBondContact O-N 3.23Å; L281-Q284 PolarHBondContact O-N 3.24Å; Q284-R286 VanDerWaalsContact C-N 3.35Å; Q284-R286 PolarHBondContact O-N 2.84Å; Q284-S287 PolarHBondContact O-N 3.41Å; Q284-S287 VanDerWaalsContact O-N 3.15Å; Q284-N288 WeakPolarHBondContact O-CB 3.28Å; Q284-N288 PolarHBondContact O-N 3.45Å; Q284-N288 PolarHBondContact O-ND2 3.28Å
285L89.9Confident76.7Confident101 Ų10195.9 Ų95.953%0.52953%0.526SS..Hα-helixtrans-56.6-49.5174.8-179.366.4000110.7L281 L282 S287 N288 C289L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 PolarHBondContact O-N 3.12Å; L282-L285 PolarHBondContact O-N 3Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.05Å; L285-N288 PolarHBondContact O-N 3.3Å; L285-C289 WeakPolarHBondContact O-CB 3.38Å; L285-C289 PolarHBondContact O-N 3.07Å; L285-C289 PolarHBondContact O-SG 3.13Å
286R89.3Confident76.1Confident183 Ų18395 Ų9569%0.69153%0.533SS*.Hα-helixtrans-55.9-45.7175.5-179-179.1-179.5-176.81.6111.7L282 G283 Q284 C289 I290L282-R286 WeakPolarHBondContact O-CB 3.49Å; L282-R286 PolarHBondContact O-N 3.16Å; G283-R286 PolarHBondContact O-N 3.18Å; Q284-R286 VanDerWaalsContact C-N 3.35Å; Q284-R286 PolarHBondContact O-N 2.84Å; R286-C289 PolarHBondContact O-N 3.23Å; R286-I290 HydrophobicContact CG-CD1 3.93Å; R286-I290 WeakPolarHBondContact O-CD1 3.43Å; R286-I290 VanDerWaalsContact O-CG1 3.24Å; R286-I290 WeakPolarHBondContact O-CG1 3.5Å; R286-I290 PolarHBondContact O-N 3.21Å; R286-I290 VanDerWaalsContact O-N 3.08Å
287S88.1Confident74.9Confident65 Ų6595.1 Ų95.146%0.45555%0.545SS..Hα-helixtrans-65.2-41.5-179.3-55.80000111.7G283 Q284 L285 I290 L291G283-S287 WeakPolarHBondContact O-CB 3.42Å; G283-S287 PolarHBondContact O-N 3.4Å; G283-S287 PolarHBondContact O-OG 3.19Å; Q284-S287 PolarHBondContact O-N 3.41Å; Q284-S287 VanDerWaalsContact O-N 3.15Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.05Å; S287-I290 PolarHBondContact O-N 3.41Å; S287-L291 WeakPolarHBondContact O-CG 3.42Å; S287-L291 PolarHBondContact O-N 3.38Å
288N89Confident73.6Confident103 Ų10398.5 Ų98.555%0.55157%0.568SS**Hα-helixtrans-67.4-39177.9-67.8-14.6000111.7Q284 L285 L291 S292Q284-N288 WeakPolarHBondContact O-CB 3.28Å; Q284-N288 PolarHBondContact O-N 3.45Å; Q284-N288 PolarHBondContact O-ND2 3.28Å; L285-N288 PolarHBondContact O-N 3.3Å; N288-L291 PolarHBondContact O-N 3.44Å; N288-S292 PolarHBondContact O-N 2.85Å; N288-S292 PolarHBondContact O-OG 3.44Å
289C86.3Confident72.1Confident70 Ų70101 Ų10147%0.47358%0.582SS.*Hα-helixtrans-67.4-33.2175.9-66.80000113L285 R286 L291 S292L285-C289 WeakPolarHBondContact O-CB 3.38Å; L285-C289 PolarHBondContact O-N 3.07Å; L285-C289 PolarHBondContact O-SG 3.13Å; R286-C289 PolarHBondContact O-N 3.23Å; C289-L291 VanDerWaalsContact C-N 3.34Å; C289-S292 VanDerWaalsContact C-OG 3.3Å; C289-S292 WeakPolarHBondContact CA-OG 3.37Å; C289-S292 PolarHBondContact O-OG 3.14Å
290I86.2Confident70.1Confident91 Ų91107.2 Ų107.247%0.46761%0.608SS.*Hα-helixtrans-70.4-31.9175.4-68.3164.3000111.3R286 S287 D293R286-I290 HydrophobicContact CG-CD1 3.93Å; R286-I290 WeakPolarHBondContact O-CD1 3.43Å; R286-I290 VanDerWaalsContact O-CG1 3.24Å; R286-I290 WeakPolarHBondContact O-CG1 3.5Å; R286-I290 PolarHBondContact O-N 3.21Å; R286-I290 VanDerWaalsContact O-N 3.08Å; S287-I290 PolarHBondContact O-N 3.41Å; I290-D293 PolarHBondContact O-N 2.9Å
291L66Low68.2Low113 Ų113111.3 Ų111.359%0.59263%0.628SS**Hα-helixtrans-73-32.2177.7-71.1168000112.4S287 N288 C289 D293 Q294S287-L291 WeakPolarHBondContact O-CG 3.42Å; S287-L291 PolarHBondContact O-N 3.38Å; N288-L291 PolarHBondContact O-N 3.44Å; C289-L291 VanDerWaalsContact C-N 3.34Å; L291-D293 PolarHBondContact O-N 2.83Å; L291-Q294 PolarHBondContact O-N 2.95Å
292S57.8Low66.5Low81 Ų81108.3 Ų108.357%0.56663%0.625SS**Hα-helixtrans-67.1-18.8174.738.20000114.5N288 C289N288-S292 PolarHBondContact O-N 2.85Å; N288-S292 PolarHBondContact O-OG 3.44Å; C289-S292 VanDerWaalsContact C-OG 3.3Å; C289-S292 WeakPolarHBondContact CA-OG 3.37Å; C289-S292 PolarHBondContact O-OG 3.14Å
293D54.3Low64.7Low138 Ų138109.8 Ų109.874%0.73864%0.64SS**THydrogen-bonded Turntrans-81.9-11.4174.2-105.9-9.8000113.1I290 L291I290-D293 PolarHBondContact O-N 2.9Å; L291-D293 PolarHBondContact O-N 2.83Å
294Q54.6Low62.7Low142 Ų142118.2 Ų118.266%0.66466%0.662SS**THydrogen-bonded Turntrans-95.61.8-178.9-72.2-163.82500115.3L291 S296L291-Q294 PolarHBondContact O-N 2.95Å; Q294-S296 PolarHBondContact O-N 3.22Å
295D47Very low60.9Low161 Ų161122.8 Ų122.886%0.86167%0.674SS**SBendtrans-80.910.9174.7-93.6-17.1000114.3
296S48Very low58.9Low102 Ų102127.8 Ų127.871%0.71369%0.688SS**  trans-111.458.3164.960.30000111.4Q294 P298Q294-S296 PolarHBondContact O-N 3.22Å; S296-P298 WeakPolarHBondContact O-CD 3.48Å
297A45Very low56.8Low83 Ų83127 Ų12769%0.68669%0.692SS**  trans-67.6126.3166.700000109.9
298P47.5Very low54.7Low105 Ų105131 Ų13168%0.68270%0.704SS**  trans-71.4135.5161.331.1-29.4000107.8S296 L300S296-P298 WeakPolarHBondContact O-CD 3.48Å; P298-L300 PolarHBondContact O-N 3.27Å; P298-L300 VanDerWaalsContact O-N 3.07Å
299V50.7Low52.4Low135 Ų135133.3 Ų133.382%0.81871%0.713SS**  trans-56.9111.8174.3177.60000109
300L40.6Very low50.3Low161 Ų161140.4 Ų140.484%0.84373%0.729SS**  trans-117108.6168.3-77.9170.4000109.7P298P298-L300 PolarHBondContact O-N 3.27Å; P298-L300 VanDerWaalsContact O-N 3.07Å
301T45.3Very low48.2Very low135 Ų135146.6 Ų146.683%0.82875%0.747SS**  trans-76126.9172.347.30000110.7
302G50.3Low46.8Very low52 Ų52146.1 Ų146.154%0.53675%0.753SS.*SBendtrans165.2160.5168.100000115.7R304G302-R304 PolarHBondContact O-N 3.23Å
303P50.2Low45.6Very low135 Ų135146.3 Ų146.388%0.87776%0.76SS**THydrogen-bonded Turntrans-76.820.6-163.731.7-34.7000115.3
304R45.4Very low44.8Very low211 Ų211150.8 Ų150.880%0.79677%0.766SS**THydrogen-bonded Turntrans-87.7-5.3177.4-78.8-175.2174.1170.5-0.8114.6G302 Y306G302-R304 PolarHBondContact O-N 3.23Å; R304-Y306 PolarHBondContact O-N 3.26Å
305R47.8Very low43.6Very low212 Ų212151.5 Ų151.580%0.877%0.77SS**Hα-helixtrans-61.9-27.7177.4-106.3-174.4178.4-172.2-0.1114Q307 M309R305-Q307 PolarHBondContact O-N 3.17Å; R305-M309 PolarHBondContact O-N 3.12Å
306Y47Very low42.9Very low206 Ų206149.7 Ų149.781%0.80877%0.767SS**Hα-helixtrans-75.4-26.8-173.1-148.2-96.1000113.9R304R304-Y306 PolarHBondContact O-N 3.26Å
307Q44.9Very low41.9Very low165 Ų165149.8 Ų149.877%0.77177%0.767SS**Hα-helixtrans-83.7-25.3177.6-83.3-178.4-16.800113.5R305R305-Q307 PolarHBondContact O-N 3.17Å
308Q44.7Very low41.5Very low151 Ų151149.8 Ų149.871%0.70678%0.775SS**Hα-helixtrans-85.3-30.5-176.6-137.9167.2-800112.5R310 R311Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 3.37Å; Q308-R311 PolarHBondContact O-N 3.44Å
309M41.1Very low40.3Very low151 Ų151149.1 Ų149.174%0.74477%0.773SS**Hα-helixtrans-66.3-27.9174.4-114.1167.1178.800113.3R305 R311R305-M309 PolarHBondContact O-N 3.12Å; M309-R311 VanDerWaalsContact C-N 3.31Å; M309-R311 PolarHBondContact O-N 2.85Å
310R41.9Very low39.5Very low218 Ų218154.1 Ų154.182%0.82378%0.777SS**Hα-helixtrans-74-17.9176.4-121.3-176.2-173.6-176.43114Q308Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 3.37Å
311R41.7Very low38.8Very low222 Ų222154.7 Ų154.784%0.83878%0.776SS**Hα-helixtrans-88.5-25.7175.9-80.6-175.1174.3179.9-1.3113.2Q308 M309Q308-R311 PolarHBondContact O-N 3.44Å; M309-R311 VanDerWaalsContact C-N 3.31Å; M309-R311 PolarHBondContact O-N 2.85Å
312S36.7Very low38.2Very low103 Ų103154 Ų15472%0.7278%0.776SS**Hα-helixtrans-87.4-9.9-178.3-145.90000114.5
313A34Very low37.1Very low85 Ų85155.1 Ų155.170%0.70279%0.788SS**THydrogen-bonded Turntrans-89.26.3176.400000114.3
314R36.3Very low36Very low232 Ų232152.2 Ų152.288%0.87578%0.783SS**  trans-99.363.3167.3-88-174.5172.8-173.8-2.3110.3
315Q30.5Very low36.3Very low157 Ų157148.2 Ų148.273%0.73478%0.784SS**  trans-77.2128.1147.7-76.8-74.2-11.500106.5S317Q315-S317 PolarHBondContact O-N 3.14Å
316P30.7Very low35.4Very low123 Ų123146.8 Ų146.880%0.79979%0.789SS**  trans-75.585.2166.430.2-27000107.8
317S27.2Very low34.8Very low104 Ų104140.7 Ų140.773%0.72779%0.789SS**  trans-55.4138.715452.40000108.9Q315 S319Q315-S317 PolarHBondContact O-N 3.14Å; S317-S319 PolarHBondContact O-N 2.88Å
318G36.4Very low34.2Very low83 Ų83136.1 Ų136.186%0.85679%0.785SS**  trans-44.7125.9-175.300000114.2
319S23.6Very low34.3Very low91 Ų91136.2 Ų136.264%0.63679%0.786SS**  trans-93.8111.5163.1-170.90000108.5S317 E321S317-S319 PolarHBondContact O-N 2.88Å; S319-E321 PolarHBondContact OG-OE1 3.43Å
320R33.1Very low34.3Very low239 Ų239136.7 Ų136.790%0.90279%0.791SS**  trans-83106.7162.1174.5176.5155.4-174.1-5.8106
321E25.9Very low34.8Very low174 Ų174132.6 Ų132.681%0.81379%0.79SS**  trans-116.2104.8170.4-83.3177.2-155.300110.1S319S319-E321 PolarHBondContact OG-OE1 3.43Å
322S32.8Very low35.9Very low119 Ų119125.4 Ų125.483%0.83277%0.768SS**  trans-75.6130.7152.7-73.60000108.6
323G26.8Very low37.7Very low77 Ų77121.5 Ų121.579%0.79474%0.74SS**  trans164.597.3163.200000115.3
324G27.5Very low40.2Very low74 Ų74119.7 Ų119.776%0.76372%0.723SS**  trans61.9142.9136.300000121.5
325P51.7Low42.6Very low127 Ų127109.5 Ų109.583%0.82569%0.686SS**  trans-82.4139.9-174.634.8-31.6000111.3
326M29.8Very low45.4Very low181 Ų181105.9 Ų105.989%0.89267%0.667SS**  trans172.8118.9138.8-95.2-61.8-69.500111.7
327G34Very low48.2Very low79 Ų79105 Ų10581%0.81465%0.652SS**  trans47.7111.1147.800000121.1
328G32.9Very low51.3Low68 Ų68100.1 Ų100.170%0.70162%0.618SS**  trans146.283.2156.200000115.2L330G328-L330 PolarHBondContact O-N 3.25Å; G328-L330 VanDerWaalsContact O-N 3.13Å
329Q46.2Very low54Low153 Ų15396.3 Ų96.372%0.71558%0.578SS**  trans-62.9103.8-179.6-145.1167.412.100111.9
330L41.4Very low57.2Low162 Ų16295.7 Ų95.785%0.84856%0.562SS**  trans-135.43.4178.3-82.6171.7000115.4G328G328-L330 PolarHBondContact O-N 3.25Å; G328-L330 VanDerWaalsContact O-N 3.13Å
331V52.8Low60Low131 Ų13188.5 Ų88.579%0.79454%0.539SS*.SBendtrans-127.2134.5-177.7-168.40000111.2C333V331-C333 PolarHBondContact O-N 2.9Å
332D63.4Low63.2Low71 Ų7180.2 Ų80.238%0.3850%0.5SS..  trans-58.5109.9169.7-103.2-53.9000109.1S226 R228S226-D332 WeakPolarHBondContact CB-OD2 3.21Å; S226-D332 PolarHBondContact OG-OD2 3.29Å; R228-D332 IonicContact CZ-OD1 2.86Å; R228-D332 IonicContact NE-OD1 3.33Å; R228-D332 PolarHBondContact NE-OD1 2.98Å; R228-D332 IonicContact NH2-OD1 2.74Å; R228-D332 PolarHBondContact NH2-OD1 3.37Å
333C75.3Confident66Low21 Ų2174.6 Ų74.614%0.14246%0.46CS..  trans-65.5149.5-17553.80000112.9Y268 V331 E337Y268-C333 WeakPolarHBondContact CE2-O 3.4Å; Y268-C333 PolarHBondContact OH-O 3.03Å; V331-C333 PolarHBondContact O-N 2.9Å; C333-E337 WeakPolarHBondContact CA-OE2 3.47Å; C333-E337 HydrophobicContact CB-CB 4.25Å
334S86.4Confident69.2Low48 Ų4875.8 Ų75.834%0.33645%0.445SS..  trans-72.1159.2170.170.20000110.8K336 E337 F338S334-K336 PolarHBondContact O-N 3.41Å; S334-E337 PolarHBondContact N-OE2 3.42Å; S334-E337 PolarHBondContact O-N 2.98Å; S334-E337 WeakPolarHBondContact OG-CB 3.35Å; S334-E337 VanDerWaalsContact OG-CG 3.25Å; S334-E337 WeakPolarHBondContact OG-CG 3.46Å; S334-E337 PolarHBondContact OG-N 3.35Å; S334-E337 PolarHBondContact OG-OE1 3.35Å; S334-F338 PolarHBondContact O-N 2.96Å
335L86.9Confident72.2Confident18 Ų1873.6 Ų73.69%0.09442%0.416CS..Hα-helixtrans-58.4-39.2176.5177.169.9000111.4L51 T54 L55 Y268 F338 L339L51-L335 HydrophobicContact CD2-CD1 4.29Å; L51-L335 HydrophobicContact CD2-CD2 3.34Å; L51-L335 HydrophobicContact CD2-CG 4.46Å; T54-L335 HydrophobicContact CG2-CD2 4.32Å; L55-L335 HydrophobicContact CD2-CD2 4.08Å; L55-L335 HydrophobicContact CD2-CG 3.86Å; L55-L335 HydrophobicContact CG-CD2 4.07Å; L55-L335 HydrophobicContact CG-CG 4.39Å; Y268-L335 HydrophobicContact CD1-CD1 3.69Å; Y268-L335 HydrophobicContact CE1-CB 4.05Å; Y268-L335 HydrophobicContact CE1-CD1 3.96Å; Y268-L335 HydrophobicContact CG-CD1 4.18Å; Y268-L335 PolarHBondContact OH-N 2.51Å; L335-F338 PolarHBondContact O-N 2.74Å; L335-L339 PolarHBondContact O-N 3.47Å; L335-L339 VanDerWaalsContact O-N 3.11Å
336K88.5Confident74.1Confident80 Ų8067.6 Ų67.635%0.34838%0.377SS..Hα-helixtrans-64.1-48.6178-171.7170.6-177.9167.90110.9L55 S334 F338 L339 W340L55-K336 HydrophobicContact CD2-CB 4.5Å; S334-K336 PolarHBondContact O-N 3.41Å; K336-F338 VanDerWaalsContact C-N 3.32Å; K336-F338 PolarHBondContact O-N 3.23Å; K336-L339 PolarHBondContact O-N 3.2Å; K336-W340 WeakPolarHBondContact O-CB 3.45Å; K336-W340 PolarHBondContact O-N 2.98Å
337E90.4Very high76.9Confident104 Ų10460.3 Ų60.349%0.48634%0.342SS..Hα-helixtrans-58.7-42.2175.5-75.4152.8-139.300112.7C333 S334 W340 Q341C333-E337 WeakPolarHBondContact CA-OE2 3.47Å; C333-E337 HydrophobicContact CB-CB 4.25Å; S334-E337 PolarHBondContact N-OE2 3.42Å; S334-E337 PolarHBondContact O-N 2.98Å; S334-E337 WeakPolarHBondContact OG-CB 3.35Å; S334-E337 VanDerWaalsContact OG-CG 3.25Å; S334-E337 WeakPolarHBondContact OG-CG 3.46Å; S334-E337 PolarHBondContact OG-N 3.35Å; S334-E337 PolarHBondContact OG-OE1 3.35Å; E337-W340 PolarHBondContact O-N 3.22Å; E337-Q341 VanDerWaalsContact O-CG 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.49Å; E337-Q341 PolarHBondContact O-N 3.38Å
338F91.9Very high79.6Confident2 Ų259.8 Ų59.81%0.00932%0.322CS..Hα-helixtrans-58.9-48.7177.9169.4-99.2000111.9L197 A265 Y268 S334 L335 K336 H342L197-F338 HydrophobicContact CB-CE1 4.13Å; L197-F338 HydrophobicContact CB-CZ 4.08Å; L197-F338 HydrophobicContact CD1-CE1 4.09Å; L197-F338 HydrophobicContact CD1-CZ 4.35Å; A265-F338 HydrophobicContact CB-CD2 4.37Å; A265-F338 HydrophobicContact CB-CE2 4.14Å; A265-F338 WeakPolarHBondContact O-CE2 3.17Å; Y268-F338 HydrophobicContact CD2-CB 4.01Å; Y268-F338 HydrophobicContact CD2-CD1 4.39Å; Y268-F338 HydrophobicContact CD2-CD2 4.34Å; Y268-F338 AromaticContact CD2-CG 3.99Å; Y268-F338 HydrophobicContact CD2-CG 3.99Å; Y268-F338 HydrophobicContact CE2-CB 4.49Å; Y268-F338 HydrophobicContact CG-CD1 4.31Å; Y268-F338 HydrophobicContact CG-CG 4.36Å; S334-F338 PolarHBondContact O-N 2.96Å; L335-F338 PolarHBondContact O-N 2.74Å; K336-F338 VanDerWaalsContact C-N 3.32Å; K336-F338 PolarHBondContact O-N 3.23Å; F338-H342 PolarHBondContact O-CD2 2.68Å
339L92.4Very high82.1Confident3 Ų363.7 Ų63.72%0.01632%0.32CS..Hα-helixtrans-70.4-40.7178179.761.2000112V34 L55 Y88 V140 L142 L197 L335 K336 Q341 H342 V343V34-L339 HydrophobicContact CG1-CD1 4.42Å; L55-L339 HydrophobicContact CD1-CD2 3.66Å; L55-L339 HydrophobicContact CD2-CB 4.16Å; L55-L339 HydrophobicContact CD2-CD2 3.75Å; L55-L339 HydrophobicContact CG-CD2 4.3Å; Y88-L339 HydrophobicContact CE1-CD2 4.28Å; V140-L339 HydrophobicContact CG1-CD1 4.14Å; L142-L339 HydrophobicContact CD1-CD1 4.28Å; L142-L339 HydrophobicContact CD1-CD2 4.28Å; L142-L339 HydrophobicContact CD2-CD1 4.14Å; L142-L339 HydrophobicContact CG-CD1 4.49Å; L197-L339 HydrophobicContact CD1-CD1 4.19Å; L335-L339 PolarHBondContact O-N 3.47Å; L335-L339 VanDerWaalsContact O-N 3.11Å; K336-L339 PolarHBondContact O-N 3.2Å; L339-Q341 VanDerWaalsContact C-N 3.27Å; L339-Q341 PolarHBondContact O-N 2.98Å; L339-H342 PolarHBondContact O-N 2.93Å; L339-V343 HydrophobicContact CD1-CG2 4.1Å; L339-V343 HydrophobicContact CG-CG2 3.89Å; L339-V343 PolarHBondContact O-N 3.14Å; L339-V343 VanDerWaalsContact O-N 3.08Å
340W92.1Very high84Confident79 Ų7963.7 Ų63.730%0.29932%0.318SS..Hα-helixtrans-64.7-31.6-172.1-154.7-104.5000112.8N84 V86 K336 E337 H342 V343 E344N84-W340 HydrophobicContact CB-CH2 3.6Å; N84-W340 HydrophobicContact CB-CZ3 3.9Å; N84-W340 WeakPolarHBondContact OD1-CH2 3.39Å; V86-W340 HydrophobicContact CG2-CZ3 4.2Å; K336-W340 WeakPolarHBondContact O-CB 3.45Å; K336-W340 PolarHBondContact O-N 2.98Å; E337-W340 PolarHBondContact O-N 3.22Å; W340-H342 PolarHBondContact O-N 3.06Å; W340-H342 VanDerWaalsContact O-N 3.14Å; W340-V343 HydrophobicContact CE3-CB 4.27Å; W340-V343 HydrophobicContact CE3-CG1 4.18Å; W340-V343 HydrophobicContact CH2-CG1 4.38Å; W340-V343 HydrophobicContact CZ3-CG1 4.04Å; W340-V343 PolarHBondContact O-N 3.31Å; W340-E344 VanDerWaalsContact O-CB 3.23Å; W340-E344 WeakPolarHBondContact O-CB 2.99Å; W340-E344 PolarHBondContact O-N 2.87Å
341Q91.5Very high86Confident88 Ų8856.3 Ų56.341%0.41128%0.281SS..Hα-helixtrans-56.2-29.4172.2-73.4170.818.300113.2E337 L339 L345E337-Q341 VanDerWaalsContact O-CG 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.49Å; E337-Q341 PolarHBondContact O-N 3.38Å; L339-Q341 VanDerWaalsContact C-N 3.27Å; L339-Q341 PolarHBondContact O-N 2.98Å; Q341-L345 WeakPolarHBondContact O-CG 3.47Å
342H92.4Very high87.7Confident0 Ų050.2 Ų50.20%024%0.244CC..Hα-helixtrans-92.8-37.7177.5-58.3-67.4000112.4V140 R195 L197 Q264 A265 F338 L339 W340 E344 L345 V346V140-H342 HydrophobicContact CG2-CB 4.38Å; R195-H342 PolarHBondContact NH1-ND1 3.34Å; L197-H342 HydrophobicContact CD1-CB 4.49Å; L197-H342 WeakPolarHBondContact CD1-CD2 3.36Å; Q264-H342 PolarHBondContact OE1-CE1 2.7Å; Q264-H342 PolarHBondContact OE1-ND1 2.93Å; A265-H342 PolarHBondContact O-NE2 3.27Å; A265-H342 VanDerWaalsContact O-NE2 3.12Å; F338-H342 PolarHBondContact O-CD2 2.68Å; L339-H342 PolarHBondContact O-N 2.93Å; W340-H342 PolarHBondContact O-N 3.06Å; W340-H342 VanDerWaalsContact O-N 3.14Å; H342-E344 VanDerWaalsContact C-N 3.34Å; H342-L345 WeakPolarHBondContact O-CB 3.34Å; H342-L345 PolarHBondContact O-N 3.35Å; H342-V346 PolarHBondContact O-N 3.33Å
343V92.3Very high88.6Confident0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-63.3-41176.2173.30000111C32 V34 V86 L339 W340 L345 V346 L347C32-V343 HydrophobicContact CB-CG1 4.18Å; V34-V343 HydrophobicContact CG2-CG2 4.26Å; V86-V343 HydrophobicContact CG2-CG1 3.81Å; L339-V343 HydrophobicContact CD1-CG2 4.1Å; L339-V343 HydrophobicContact CG-CG2 3.89Å; L339-V343 PolarHBondContact O-N 3.14Å; L339-V343 VanDerWaalsContact O-N 3.08Å; W340-V343 HydrophobicContact CE3-CB 4.27Å; W340-V343 HydrophobicContact CE3-CG1 4.18Å; W340-V343 HydrophobicContact CH2-CG1 4.38Å; W340-V343 HydrophobicContact CZ3-CG1 4.04Å; W340-V343 PolarHBondContact O-N 3.31Å; V343-L345 VanDerWaalsContact C-N 3.28Å; V343-L345 PolarHBondContact O-N 2.9Å; V343-V346 WeakPolarHBondContact O-CB 3.39Å; V343-V346 PolarHBondContact O-N 3.37Å; V343-L347 HydrophobicContact CG1-CD1 3.77Å; V343-L347 HydrophobicContact CG1-CG 4.13Å; V343-L347 PolarHBondContact O-N 3.26Å
344E92.5Very high89Confident102 Ų10251.9 Ų51.948%0.47725%0.251SS..Hα-helixtrans-60.1-37.2177.8-172.2179-175.700111.8W340 H342 V346 L347 T348W340-E344 VanDerWaalsContact O-CB 3.23Å; W340-E344 WeakPolarHBondContact O-CB 2.99Å; W340-E344 PolarHBondContact O-N 2.87Å; H342-E344 VanDerWaalsContact C-N 3.34Å; E344-V346 VanDerWaalsContact C-N 3.28Å; E344-V346 PolarHBondContact O-N 2.94Å; E344-L347 PolarHBondContact O-N 3.37Å; E344-T348 HydrophobicContact CG-CG2 4.01Å; E344-T348 VanDerWaalsContact O-CB 3.27Å; E344-T348 WeakPolarHBondContact O-CB 3.5Å; E344-T348 VanDerWaalsContact O-CG2 3.24Å; E344-T348 WeakPolarHBondContact O-CG2 3.44Å; E344-T348 PolarHBondContact O-N 3.06Å; E344-T348 PolarHBondContact O-OG1 3.28Å
345L91.1Very high88.9Confident29 Ų2950.3 Ų50.315%0.15224%0.24CC..Hα-helixtrans-63.2-35.1175.7-66.5173.8000112.7Q341 H342 V343 K349 K350 G351 F352Q341-L345 WeakPolarHBondContact O-CG 3.47Å; H342-L345 WeakPolarHBondContact O-CB 3.34Å; H342-L345 PolarHBondContact O-N 3.35Å; V343-L345 VanDerWaalsContact C-N 3.28Å; V343-L345 PolarHBondContact O-N 2.9Å; L345-K349 PolarHBondContact O-N 3.3Å; L345-K350 HydrophobicContact CD2-CB 4.11Å; L345-K350 HydrophobicContact CD2-CD 3.84Å; L345-K350 PolarHBondContact O-N 3Å; L345-G351 PolarHBondContact O-N 2.92Å; L345-F352 HydrophobicContact CB-CE1 4.28Å
346V91.3Very high88.5Confident0 Ų051.7 Ų51.70%025%0.249CC..Hα-helixtrans-71.7-51.8176.5178.50000110C32 H139 H342 V343 E344 T348 K349 F352 F365 L367C32-V346 HydrophobicContact CB-CB 4.45Å; C32-V346 HydrophobicContact CB-CG1 4.02Å; H139-V346 HydrophobicContact CB-CG1 4.35Å; H139-V346 HydrophobicContact CB-CG2 4.11Å; H342-V346 PolarHBondContact O-N 3.33Å; V343-V346 WeakPolarHBondContact O-CB 3.39Å; V343-V346 PolarHBondContact O-N 3.37Å; E344-V346 VanDerWaalsContact C-N 3.28Å; E344-V346 PolarHBondContact O-N 2.94Å; V346-T348 VanDerWaalsContact C-N 3.3Å; V346-T348 PolarHBondContact O-N 3.47Å; V346-K349 PolarHBondContact O-N 3.24Å; V346-F352 HydrophobicContact CG2-CE1 3.75Å; V346-F352 HydrophobicContact CG2-CE2 4.07Å; V346-F352 HydrophobicContact CG2-CZ 3.27Å; V346-F365 HydrophobicContact CB-CE2 4.46Å; V346-F365 HydrophobicContact CB-CZ 4.32Å; V346-F365 HydrophobicContact CG1-CE2 4.16Å; V346-F365 HydrophobicContact CG1-CZ 3.93Å; V346-F365 HydrophobicContact CG2-CE2 4.31Å; V346-L367 HydrophobicContact CG1-CD1 3.7Å
347L90.3Very high87.7Confident29 Ų2950.2 Ų50.215%0.15226%0.257CS..Hα-helixtrans-65.9-31.1-177.3-65.7178.5000113C32 R85 V343 E344 K349C32-L347 HydrophobicContact CB-CD2 3.96Å; C32-L347 HydrophobicContact CB-CG 4.32Å; R85-L347 HydrophobicContact CB-CD2 4.38Å; V343-L347 HydrophobicContact CG1-CD1 3.77Å; V343-L347 HydrophobicContact CG1-CG 4.13Å; V343-L347 PolarHBondContact O-N 3.26Å; E344-L347 PolarHBondContact O-N 3.37Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.06Å
348T89.4Confident86.8Confident67 Ų6757.2 Ų57.241%0.41128%0.279SS..THydrogen-bonded Turntrans-83.53.7174.9590000113.7E344 V346 K350E344-T348 HydrophobicContact CG-CG2 4.01Å; E344-T348 VanDerWaalsContact O-CB 3.27Å; E344-T348 WeakPolarHBondContact O-CB 3.5Å; E344-T348 VanDerWaalsContact O-CG2 3.24Å; E344-T348 WeakPolarHBondContact O-CG2 3.44Å; E344-T348 PolarHBondContact O-N 3.06Å; E344-T348 PolarHBondContact O-OG1 3.28Å; V346-T348 VanDerWaalsContact C-N 3.3Å; V346-T348 PolarHBondContact O-N 3.47Å; T348-K350 PolarHBondContact O-N 3.28Å
349K86.6Confident85.8Confident151 Ų15163.7 Ų63.766%0.65731%0.313SS*.THydrogen-bonded Turntrans58.622.6-179.2-56.2178.9179.6178.50114.6L345 V346 L347 G351 F365 L367L345-K349 PolarHBondContact O-N 3.3Å; V346-K349 PolarHBondContact O-N 3.24Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.06Å; K349-G351 VanDerWaalsContact C-N 3.31Å; K349-F365 HydrophobicContact CB-CE1 4.42Å; K349-L367 HydrophobicContact CD-CD2 4.44Å; K349-L367 HydrophobicContact CG-CB 4.49Å; K349-L367 HydrophobicContact CG-CD2 3.85Å
350K84.4Confident84.6Confident153 Ų15366.9 Ų66.967%0.66534%0.335SS*.  trans-73.5-26.1174.3-71.6177.3179.8172.90112.1L345 T348L345-K350 HydrophobicContact CD2-CB 4.11Å; L345-K350 HydrophobicContact CD2-CD 3.84Å; L345-K350 PolarHBondContact O-N 3Å; T348-K350 PolarHBondContact O-N 3.28Å
351G84.6Confident83.6Confident7 Ų769 Ų697%0.07235%0.348CS..  trans68.6-165.3179.900000113.7L345 K349 F365L345-G351 PolarHBondContact O-N 2.92Å; K349-G351 VanDerWaalsContact C-N 3.31Å; G351-F365 VanDerWaalsContact CA-CD2 3.5Å
352F87.7Confident82.5Confident3 Ų370 Ų701%0.01336%0.362CS..  trans-12296.6-175.3-58.4-38.1000111.9H139 V140 R195 L345 V346 D354 S363H139-F352 HydrophobicContact CB-CE2 4.4Å; H139-F352 VanDerWaalsContact O-CE2 3.29Å; H139-F352 WeakPolarHBondContact O-CE2 3.37Å; V140-F352 HydrophobicContact CG2-CE2 4.46Å; V140-F352 HydrophobicContact CG2-CZ 3.82Å; R195-F352 HydrophobicContact CB-CE2 4.34Å; R195-F352 HydrophobicContact CB-CZ 4.48Å; R195-F352 VanDerWaalsContact CD-CD1 3.44Å; R195-F352 HydrophobicContact CG-CB 4.41Å; R195-F352 HydrophobicContact CG-CD1 4.17Å; R195-F352 HydrophobicContact CG-CD2 3.88Å; R195-F352 HydrophobicContact CG-CE1 4.36Å; R195-F352 HydrophobicContact CG-CE2 4.11Å; R195-F352 HydrophobicContact CG-CG 3.9Å; R195-F352 HydrophobicContact CG-CZ 4.32Å; L345-F352 HydrophobicContact CB-CE1 4.28Å; V346-F352 HydrophobicContact CG2-CE1 3.75Å; V346-F352 HydrophobicContact CG2-CE2 4.07Å; V346-F352 HydrophobicContact CG2-CZ 3.27Å; F352-D354 PolarHBondContact O-N 3.22Å; F352-S363 PolarHBondContact O-OG 2.76Å
353D82.4Confident81.9Confident107 Ų10771 Ų7157%0.57237%0.369SS*.  trans-93.976.5173.2-168.111.5000111.2
354D84.7Confident81.5Confident20 Ų2071.6 Ų71.611%0.10737%0.372CS..  trans-101.29.7179.6-58.1-40.9000112.7R195 T259 F352 V356R195-D354 WeakPolarHBondContact CG-OD2 3.31Å; R195-D354 IonicContact CZ-OD1 3.51Å; R195-D354 IonicContact CZ-OD2 2.77Å; R195-D354 IonicContact NE-OD1 3.75Å; R195-D354 PolarHBondContact NE-OD1 3.16Å; R195-D354 IonicContact NE-OD2 3.7Å; R195-D354 PolarHBondContact NE-OD2 3.41Å; R195-D354 IonicContact NH2-OD1 2.86Å; R195-D354 PolarHBondContact NH2-OD1 2.81Å; R195-D354 IonicContact NH2-OD2 3.81Å; T259-D354 WeakPolarHBondContact CB-OD2 3.44Å; T259-D354 HydrophobicContact CG2-CB 4.2Å; T259-D354 PolarHBondContact OG1-OD2 3.19Å; F352-D354 PolarHBondContact O-N 3.22Å; D354-V356 PolarHBondContact O-N 3.2Å
355S83.6Confident81.4Confident15 Ų1569 Ų6911%0.10536%0.359CS..  trans-67.9123.5176.6-68.30000109.4S253 Q361S253-S355 PolarHBondContact OG-OG 3.48Å; S355-Q361 PolarHBondContact OG-O 3.26Å; S355-Q361 VanDerWaalsContact OG-O 3.11Å
356V78Confident81.3Confident46 Ų4669.1 Ų69.128%0.27936%0.359SS..  trans-119132.2178.6-58.70000110.8N251 A262 D354N251-V356 WeakPolarHBondContact CA-O 2.9Å; N251-V356 VanDerWaalsContact CB-O 3.28Å; N251-V356 WeakPolarHBondContact CB-O 3.42Å; N251-V356 PolarHBondContact O-N 3.18Å; A262-V356 HydrophobicContact CB-CG1 4.18Å; D354-V356 PolarHBondContact O-N 3.2Å
357G72.6Confident81.3Confident50 Ų5070.8 Ų70.852%0.51537%0.368SS..SBendtrans156.1-179-175.800000111.6N359G357-N359 VanDerWaalsContact C-N 3.29Å; G357-N359 PolarHBondContact O-N 3.41Å
358R71.6Confident81.3Confident251 Ų25169.6 Ų69.695%0.94736%0.361SS*.SBendtrans-67.2-29.1-178.8-65-173.9-176.2-158.30.8112.9
359N69.8Low81.3Confident137 Ų13767.7 Ų67.773%0.73335%0.35SS*.SBendtrans-130.989.2176.1-68.89.7000110.3G357 Q361G357-N359 VanDerWaalsContact C-N 3.29Å; G357-N359 PolarHBondContact O-N 3.41Å; N359-Q361 PolarHBondContact O-N 3.04Å
360P68.4Low81.2Confident71 Ų7161.7 Ų61.746%0.46132%0.324SS..PPolyproline II helixtrans-67124.5174.226.1-30.2000109.9
361Q70.6Confident81.3Confident123 Ų12355.8 Ų55.858%0.57530%0.301SS*.PPolyproline II helixtrans-91137.2171.4-72.8-71.2-24.500108.7S355 N359 S363S355-Q361 PolarHBondContact OG-O 3.26Å; S355-Q361 VanDerWaalsContact OG-O 3.11Å; N359-Q361 PolarHBondContact O-N 3.04Å; Q361-S363 PolarHBondContact O-N 3.27Å
362P68.5Low81.4Confident109 Ų10959.8 Ų59.871%0.70832%0.316SS*.PPolyproline II helixtrans-61.1135.7176.625.7-32.3000109.7
363S78.7Confident81.6Confident22 Ų2259.7 Ų59.715%0.15432%0.315CS..PPolyproline II helixtrans-79.6148.6175.160.60000110.2F352 Q361F352-S363 PolarHBondContact O-OG 2.76Å; Q361-S363 PolarHBondContact O-N 3.27Å
364H85.8Confident81.9Confident12 Ų1255 Ų556%0.05629%0.291CS..PPolyproline II helixtrans-66.8140.3170.860.3-78.9000109.7E184 N188 R190 C192E184-H364 HydrophobicContact CB-CB 3.8Å; E184-H364 HydrophobicContact CG-CB 4.35Å; E184-H364 VanDerWaalsContact OE2-CA 3.3Å; E184-H364 WeakPolarHBondContact OE2-CA 3.42Å; E184-H364 WeakPolarHBondContact OE2-CB 3.33Å; N188-H364 PolarHBondContact ND2-CE1 2.58Å; N188-H364 PolarHBondContact ND2-ND1 3.39Å; N188-H364 VanDerWaalsContact ND2-ND1 3.14Å; R190-H364 WeakPolarHBondContact CG-NE2 3.47Å; C192-H364 WeakPolarHBondContact CA-O 3.23Å; C192-H364 WeakPolarHBondContact CB-O 3.36Å
365F89.9Confident82Confident47 Ų4759.1 Ų59.121%0.20631%0.309CS..  trans-149.9127.2179.1179-93.9000110.8P191 C192 V346 K349 G351 L367P191-F365 WeakPolarHBondContact O-CA 3.43Å; C192-F365 HydrophobicContact CB-CD2 3.92Å; V346-F365 HydrophobicContact CB-CE2 4.46Å; V346-F365 HydrophobicContact CB-CZ 4.32Å; V346-F365 HydrophobicContact CG1-CE2 4.16Å; V346-F365 HydrophobicContact CG1-CZ 3.93Å; V346-F365 HydrophobicContact CG2-CE2 4.31Å; K349-F365 HydrophobicContact CB-CE1 4.42Å; G351-F365 VanDerWaalsContact CA-CD2 3.5Å; F365-L367 HydrophobicContact CE1-CB 4.34Å
366E88.7Confident82.4Confident32 Ų3258.4 Ų58.415%0.1531%0.305CS..  trans-132.9134.9175-175.3167.9-18000110.1H139 S182 W185 P191 P368H139-E366 PolarHBondContact NE2-O 3.29Å; S182-E366 WeakPolarHBondContact CB-OE2 3.48Å; S182-E366 PolarHBondContact N-OE1 3.13Å; S182-E366 PolarHBondContact N-OE2 2.85Å; S182-E366 VanDerWaalsContact N-OE2 3.07Å; S182-E366 PolarHBondContact OG-OE2 2.9Å; W185-E366 WeakPolarHBondContact CB-OE2 3.21Å; W185-E366 HydrophobicContact CE3-CB 3.85Å; W185-E366 HydrophobicContact CE3-CG 3.85Å; W185-E366 VanDerWaalsContact CE3-OE2 3.31Å; W185-E366 HydrophobicContact CZ3-CB 4.27Å; W185-E366 HydrophobicContact CZ3-CG 4.13Å; P191-E366 PolarHBondContact O-N 3.37Å; P191-E366 VanDerWaalsContact O-N 3.12Å; E366-P368 WeakPolarHBondContact O-CD 3.17Å
367L91Very high83Confident35 Ų3556.2 Ų56.218%0.18329%0.291CS..  trans-101.8101.2174.1-174.869.6000108.9L31 V346 K349 F365L31-L367 WeakPolarHBondContact O-CD1 3.48Å; V346-L367 HydrophobicContact CG1-CD1 3.7Å; K349-L367 HydrophobicContact CD-CD2 4.44Å; K349-L367 HydrophobicContact CG-CB 4.49Å; K349-L367 HydrophobicContact CG-CD2 3.85Å; F365-L367 HydrophobicContact CE1-CB 4.34Å
368P89.6Confident83.8Confident3 Ų355.1 Ų55.12%0.01928%0.275CS..  trans-75.7156.3-177.731.7-36000112.2L31 W185 E366 W373L31-P368 WeakPolarHBondContact CB-O 3.31Å; L31-P368 PolarHBondContact N-O 3.11Å; W185-P368 HydrophobicContact CH2-CB 3.92Å; W185-P368 HydrophobicContact CH2-CG 3.85Å; W185-P368 HydrophobicContact CZ3-CB 3.78Å; W185-P368 HydrophobicContact CZ3-CG 3.93Å; E366-P368 WeakPolarHBondContact O-CD 3.17Å; P368-W373 HydrophobicContact CB-CB 4.18Å; P368-W373 HydrophobicContact CG-CB 4.34Å
369T89.2Confident84.7Confident28 Ų2847.6 Ų47.617%0.17225%0.247CC..BIsolated β-bridgetrans-82.4160.1160.259.60000109.7T371 K372 W373T369-T371 PolarHBondContact O-N 3.09Å; T369-K372 PolarHBondContact O-N 3.26Å; T369-K372 WeakPolarHBondContact OG1-CG 3.46Å; T369-W373 WeakPolarHBondContact O-CB 3.3Å; T369-W373 PolarHBondContact O-N 3.2Å
370F85.9Confident85.6Confident25 Ų2541.1 Ų41.111%0.1121%0.212CC..Hα-helixtrans-59-47.1-178.1176.9-85.8000112L15 E22 L31 Y80 K372 W373 V374L15-F370 HydrophobicContact CD1-CZ 4.46Å; E22-F370 HydrophobicContact CG-CD1 4.1Å; E22-F370 VanDerWaalsContact OE1-CB 3.23Å; E22-F370 WeakPolarHBondContact OE1-CB 3.3Å; E22-F370 VanDerWaalsContact OE1-CD1 3.31Å; E22-F370 WeakPolarHBondContact OE1-CD1 3.01Å; L31-F370 HydrophobicContact CD2-CB 4.33Å; L31-F370 HydrophobicContact CD2-CD2 4.06Å; Y80-F370 HydrophobicContact CD1-CD2 4.28Å; Y80-F370 HydrophobicContact CD1-CE2 4.13Å; Y80-F370 HydrophobicContact CD2-CD2 4.39Å; Y80-F370 HydrophobicContact CE1-CD2 4.27Å; Y80-F370 HydrophobicContact CE2-CD2 4.43Å; Y80-F370 HydrophobicContact CG-CD2 4.34Å; Y80-F370 HydrophobicContact CG-CE2 4.1Å; F370-K372 PolarHBondContact O-N 2.92Å; F370-W373 PolarHBondContact O-N 3.42Å; F370-V374 HydrophobicContact CD1-CG2 4.04Å; F370-V374 HydrophobicContact CE1-CG2 3.7Å; F370-V374 HydrophobicContact CE2-CG2 4.33Å; F370-V374 HydrophobicContact CZ-CG2 3.85Å; F370-V374 WeakPolarHBondContact O-CG2 3.47Å; F370-V374 PolarHBondContact O-N 3.05Å
371T86.1Confident86.7Confident29 Ų2939.1 Ų39.118%0.17820%0.196CC..Hα-helixtrans-55.6-46.4174.1-59.10000113.5P20 E22 T369 W373 V374 Q375P20-T371 HydrophobicContact CG-CG2 4.41Å; E22-T371 PolarHBondContact OE1-N 3.45Å; E22-T371 PolarHBondContact OE1-OG1 2.87Å; E22-T371 PolarHBondContact OE2-OG1 3.5Å; E22-T371 VanDerWaalsContact OE2-OG1 3.14Å; T369-T371 PolarHBondContact O-N 3.09Å; T371-W373 VanDerWaalsContact C-N 3.33Å; T371-W373 PolarHBondContact O-N 2.96Å; T371-V374 PolarHBondContact O-N 2.97Å; T371-Q375 WeakPolarHBondContact O-CG 3.46Å; T371-Q375 PolarHBondContact O-N 2.96Å; T371-Q375 VanDerWaalsContact O-N 3.13Å
372K87.5Confident87.6Confident91 Ų9135 Ų3540%0.39618%0.176SC..Hα-helixtrans-65.2-39.1178.8-73.9-179.8-178.5-178.80111.6T369 F370 L376T369-K372 PolarHBondContact O-N 3.26Å; T369-K372 WeakPolarHBondContact OG1-CG 3.46Å; F370-K372 PolarHBondContact O-N 2.92Å; K372-L376 PolarHBondContact O-N 2.58Å
373W90.8Very high88.6Confident0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-63.8-48.5176.8-177.686.6000111.1L12 L16 L31 V33 L87 L89 V137 P368 T369 F370 T371 Q375 L376 A377L12-W373 HydrophobicContact CD1-CH2 4.06Å; L16-W373 HydrophobicContact CD2-CZ3 4.41Å; L31-W373 HydrophobicContact CD2-CB 4.2Å; L31-W373 HydrophobicContact CD2-CD2 4.43Å; L31-W373 HydrophobicContact CD2-CG 4.19Å; V33-W373 HydrophobicContact CG1-CZ2 4.31Å; V33-W373 HydrophobicContact CG2-CG 4.42Å; L87-W373 HydrophobicContact CD2-CD2 4.01Å; L87-W373 HydrophobicContact CD2-CE3 3.64Å; L87-W373 HydrophobicContact CD2-CH2 3.38Å; L87-W373 HydrophobicContact CD2-CZ2 3.75Å; L87-W373 HydrophobicContact CD2-CZ3 3.32Å; L89-W373 HydrophobicContact CD1-CH2 4.27Å; L89-W373 HydrophobicContact CD1-CZ2 3.87Å; L89-W373 HydrophobicContact CD2-CH2 4.13Å; V137-W373 HydrophobicContact CB-CZ2 4.24Å; V137-W373 HydrophobicContact CG2-CZ2 4.13Å; V137-W373 PolarHBondContact O-NE1 3.15Å; P368-W373 HydrophobicContact CB-CB 4.18Å; P368-W373 HydrophobicContact CG-CB 4.34Å; T369-W373 WeakPolarHBondContact O-CB 3.3Å; T369-W373 PolarHBondContact O-N 3.2Å; F370-W373 PolarHBondContact O-N 3.42Å; T371-W373 VanDerWaalsContact C-N 3.33Å; T371-W373 PolarHBondContact O-N 2.96Å; W373-Q375 PolarHBondContact O-N 3.07Å; W373-L376 PolarHBondContact O-N 3.29Å; W373-A377 HydrophobicContact CD2-CB 4.1Å; W373-A377 HydrophobicContact CE3-CB 4.09Å; W373-A377 HydrophobicContact CH2-CB 3.87Å; W373-A377 HydrophobicContact CZ2-CB 3.88Å; W373-A377 HydrophobicContact CZ3-CB 3.98Å; W373-A377 WeakPolarHBondContact O-CB 3.23Å; W373-A377 PolarHBondContact O-N 3.38Å
374V89.4Confident89.1Confident10 Ų1028.9 Ų28.96%0.06114%0.136CC..Hα-helixtrans-58.9-45.2179.61700000111.7L16 F370 T371 L376 A377 S378L16-V374 HydrophobicContact CD2-CG1 4.14Å; F370-V374 HydrophobicContact CD1-CG2 4.04Å; F370-V374 HydrophobicContact CE1-CG2 3.7Å; F370-V374 HydrophobicContact CE2-CG2 4.33Å; F370-V374 HydrophobicContact CZ-CG2 3.85Å; F370-V374 WeakPolarHBondContact O-CG2 3.47Å; F370-V374 PolarHBondContact O-N 3.05Å; T371-V374 PolarHBondContact O-N 2.97Å; V374-L376 PolarHBondContact O-N 3.5Å; V374-A377 PolarHBondContact O-N 3.12Å; V374-S378 VanDerWaalsContact O-CB 3.26Å; V374-S378 WeakPolarHBondContact O-CB 3.23Å; V374-S378 PolarHBondContact O-N 3.39Å
375Q87.3Confident89.1Confident105 Ų10530 Ų3049%0.49114%0.143SC..Hα-helixtrans-58.2-46.7178.6-73.6176-7.800112.3T371 W373 R379T371-Q375 WeakPolarHBondContact O-CG 3.46Å; T371-Q375 PolarHBondContact O-N 2.96Å; T371-Q375 VanDerWaalsContact O-N 3.13Å; W373-Q375 PolarHBondContact O-N 3.07Å; Q375-R379 PolarHBondContact O-N 3.17Å
376L90.1Very high88.7Confident1 Ų129.8 Ų29.81%0.00515%0.147CC..Hα-helixtrans-71.5-44.7179.2-174.8148000111.4I176 V181 W185 K372 W373 V374 S378 R379 L380I176-L376 HydrophobicContact CG2-CD1 4.45Å; I176-L376 HydrophobicContact CG2-CG 4.13Å; V181-L376 HydrophobicContact CB-CD1 4.42Å; V181-L376 HydrophobicContact CG1-CD1 3.77Å; V181-L376 HydrophobicContact CG2-CD1 3.95Å; W185-L376 HydrophobicContact CD2-CD1 4.3Å; W185-L376 HydrophobicContact CG-CD1 4.43Å; W185-L376 HydrophobicContact CZ2-CD1 4.11Å; W185-L376 HydrophobicContact CZ2-CD2 3.95Å; K372-L376 PolarHBondContact O-N 2.58Å; W373-L376 PolarHBondContact O-N 3.29Å; V374-L376 PolarHBondContact O-N 3.5Å; L376-S378 VanDerWaalsContact C-N 3.25Å; L376-S378 PolarHBondContact O-N 2.98Å; L376-R379 PolarHBondContact O-N 2.91Å; L376-L380 HydrophobicContact CD2-CD1 3.48Å; L376-L380 VanDerWaalsContact CD2-CD1 3.48Å; L376-L380 HydrophobicContact CD2-CG 3.94Å; L376-L380 WeakPolarHBondContact O-CG 3.34Å; L376-L380 PolarHBondContact O-N 3.38Å
377A91.3Very high88.1Confident0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-59.5-35.9178.800000111.9L16 Y133 W373 V374 Y381L16-A377 HydrophobicContact CD2-CB 3.76Å; Y133-A377 WeakPolarHBondContact CE2-O 3.5Å; Y133-A377 WeakPolarHBondContact OH-CB 3.47Å; Y133-A377 PolarHBondContact OH-O 3.14Å; W373-A377 HydrophobicContact CD2-CB 4.1Å; W373-A377 HydrophobicContact CE3-CB 4.09Å; W373-A377 HydrophobicContact CH2-CB 3.87Å; W373-A377 HydrophobicContact CZ2-CB 3.88Å; W373-A377 HydrophobicContact CZ3-CB 3.98Å; W373-A377 WeakPolarHBondContact O-CB 3.23Å; W373-A377 PolarHBondContact O-N 3.38Å; V374-A377 PolarHBondContact O-N 3.12Å; A377-Y381 WeakPolarHBondContact O-CB 3.35Å; A377-Y381 PolarHBondContact O-N 3.33Å
378S89.9Confident87Confident26 Ų2634.9 Ų34.918%0.18218%0.179CC..Hα-helixtrans-65.2-50.9175.9-173.60000112.1V374 L376 L380 Y381 Q382V374-S378 VanDerWaalsContact O-CB 3.26Å; V374-S378 WeakPolarHBondContact O-CB 3.23Å; V374-S378 PolarHBondContact O-N 3.39Å; L376-S378 VanDerWaalsContact C-N 3.25Å; L376-S378 PolarHBondContact O-N 2.98Å; S378-L380 VanDerWaalsContact C-N 3.32Å; S378-L380 PolarHBondContact O-N 3.28Å; S378-Y381 PolarHBondContact O-N 2.8Å; S378-Y381 VanDerWaalsContact O-N 3.13Å; S378-Q382 WeakPolarHBondContact O-CG 3.36Å; S378-Q382 PolarHBondContact O-N 2.78Å
379R89.2Confident86.3Confident93 Ų9336.6 Ų36.635%0.35119%0.188SC..Hα-helixtrans-59.6-41.5176.4-67.5-70.6-169.7167.98.3112.1Q375 L376 V383 D389Q375-R379 PolarHBondContact O-N 3.17Å; L376-R379 PolarHBondContact O-N 2.91Å; R379-V383 WeakPolarHBondContact O-CG2 3.34Å; R379-V383 PolarHBondContact O-N 2.99Å; R379-D389 IonicContact NH1-OD2 2.69Å
380L90.6Very high85.6Confident1 Ų144 Ų441%0.00522%0.221CC..Hα-helixtrans-66.3-39.2175.7-69.3-169.4000112.8Y133 V137 I172 I176 L376 S378 V383 L384Y133-L380 HydrophobicContact CD2-CB 4.05Å; Y133-L380 HydrophobicContact CE2-CB 3.73Å; V137-L380 HydrophobicContact CG1-CD1 3.67Å; I172-L380 HydrophobicContact CB-CD2 4.42Å; I172-L380 HydrophobicContact CG2-CD2 3.15Å; I176-L380 HydrophobicContact CG2-CD2 3.56Å; I176-L380 HydrophobicContact CG2-CG 4.1Å; L376-L380 HydrophobicContact CD2-CD1 3.48Å; L376-L380 VanDerWaalsContact CD2-CD1 3.48Å; L376-L380 HydrophobicContact CD2-CG 3.94Å; L376-L380 WeakPolarHBondContact O-CG 3.34Å; L376-L380 PolarHBondContact O-N 3.38Å; S378-L380 VanDerWaalsContact C-N 3.32Å; S378-L380 PolarHBondContact O-N 3.28Å; L380-V383 PolarHBondContact O-N 3.46Å; L380-L384 WeakPolarHBondContact O-CB 3.38Å; L380-L384 WeakPolarHBondContact O-CG 3.18Å; L380-L384 PolarHBondContact O-N 3.27Å
381Y90.8Very high85.1Confident30 Ų3050 Ų5012%0.11825%0.249CC..Hα-helixtrans-66.8-40.1-179.6-172-91.7000111.1L12 L16 Y133 A377 S378 V383 I385 S386L12-Y381 HydrophobicContact CD2-CD2 3.99Å; L12-Y381 HydrophobicContact CD2-CE2 4.1Å; L12-Y381 HydrophobicContact CG-CD2 4.41Å; L12-Y381 HydrophobicContact CG-CE2 4.41Å; L16-Y381 HydrophobicContact CD1-CD1 4.31Å; L16-Y381 HydrophobicContact CD1-CD2 4.01Å; L16-Y381 HydrophobicContact CD1-CG 3.72Å; Y133-Y381 HydrophobicContact CE2-CD2 4.27Å; A377-Y381 WeakPolarHBondContact O-CB 3.35Å; A377-Y381 PolarHBondContact O-N 3.33Å; S378-Y381 PolarHBondContact O-N 2.8Å; S378-Y381 VanDerWaalsContact O-N 3.13Å; Y381-V383 PolarHBondContact O-N 2.99Å; Y381-I385 HydrophobicContact CD2-CB 4.17Å; Y381-I385 HydrophobicContact CD2-CD1 3.46Å; Y381-I385 VanDerWaalsContact CD2-CD1 3.46Å; Y381-I385 HydrophobicContact CD2-CG1 4.35Å; Y381-I385 HydrophobicContact CE1-CB 4.41Å; Y381-I385 HydrophobicContact CE1-CG2 4.19Å; Y381-I385 HydrophobicContact CE2-CB 4.03Å; Y381-I385 HydrophobicContact CE2-CD1 3.46Å; Y381-I385 VanDerWaalsContact CE2-CD1 3.46Å; Y381-I385 HydrophobicContact CE2-CG1 4.33Å; Y381-I385 HydrophobicContact CE2-CG2 3.87Å; Y381-I385 HydrophobicContact CG-CB 4.4Å; Y381-I385 HydrophobicContact CG-CD1 4.36Å; Y381-I385 WeakPolarHBondContact O-CA 3.39Å; Y381-I385 WeakPolarHBondContact O-CB 3.39Å; Y381-I385 PolarHBondContact O-N 2.73Å; Y381-S386 PolarHBondContact O-N 2.71Å
382Q89.1Confident84.8Confident35 Ų3549.4 Ų49.416%0.16425%0.245CC..Iπ-helixtrans-61.3-42.1175-70.8169.7-21.900112.1S378 N387 D389 L392S378-Q382 WeakPolarHBondContact O-CG 3.36Å; S378-Q382 PolarHBondContact O-N 2.78Å; Q382-N387 VanDerWaalsContact O-CA 3.31Å; Q382-N387 WeakPolarHBondContact O-CA 3.46Å; Q382-N387 PolarHBondContact O-N 3.17Å; Q382-D389 HydrophobicContact CG-CB 4.45Å; Q382-D389 PolarHBondContact OE1-OD2 3.49Å; Q382-L392 HydrophobicContact CB-CD1 4.38Å; Q382-L392 VanDerWaalsContact OE1-CD1 3.31Å
383V89.7Confident84.5Confident2 Ų246.5 Ų46.51%0.01224%0.237CC..Iπ-helixtrans-77.7-36-177.7172.60000113A175 R379 L380 Y381 L392 V399A175-V383 HydrophobicContact CB-CG2 3.8Å; R379-V383 WeakPolarHBondContact O-CG2 3.34Å; R379-V383 PolarHBondContact O-N 2.99Å; L380-V383 PolarHBondContact O-N 3.46Å; Y381-V383 PolarHBondContact O-N 2.99Å; V383-L392 HydrophobicContact CG2-CB 4.1Å; V383-L392 HydrophobicContact CG2-CD1 4.24Å; V383-L392 HydrophobicContact CG2-CD2 4.04Å; V383-L392 HydrophobicContact CG2-CG 4.37Å; V383-V399 HydrophobicContact CG1-CG2 3.7Å
384L88.5Confident84.3Confident1 Ų152.2 Ų52.21%0.00526%0.264CS..Iπ-helixtrans-93.4-29.4-175.1-67.6-179.3000114.1L132 Y133 V168 I172 L380 V399L132-L384 HydrophobicContact CD2-CD2 4.43Å; Y133-L384 HydrophobicContact CD2-CD1 4.14Å; V168-L384 HydrophobicContact CG1-CD2 3.97Å; I172-L384 HydrophobicContact CD1-CD1 4.17Å; I172-L384 HydrophobicContact CD1-CD2 4.1Å; I172-L384 HydrophobicContact CG1-CD2 4.35Å; L380-L384 WeakPolarHBondContact O-CB 3.38Å; L380-L384 WeakPolarHBondContact O-CG 3.18Å; L380-L384 PolarHBondContact O-N 3.27Å; L384-V399 HydrophobicContact CD2-CG1 3.8Å
385I87.4Confident84.2Confident37 Ų3753.2 Ų53.219%0.1927%0.269CS..Iπ-helixtrans-125.1-64.8-166.7-61.2165.6000112.4H130 Y133 Y381H130-I385 WeakPolarHBondContact NE2-CG2 3.4Å; Y133-I385 HydrophobicContact CD1-CD1 4.36Å; Y133-I385 HydrophobicContact CD2-CD1 4.26Å; Y133-I385 HydrophobicContact CG-CD1 3.97Å; Y381-I385 HydrophobicContact CD2-CB 4.17Å; Y381-I385 HydrophobicContact CD2-CD1 3.46Å; Y381-I385 VanDerWaalsContact CD2-CD1 3.46Å; Y381-I385 HydrophobicContact CD2-CG1 4.35Å; Y381-I385 HydrophobicContact CE1-CB 4.41Å; Y381-I385 HydrophobicContact CE1-CG2 4.19Å; Y381-I385 HydrophobicContact CE2-CB 4.03Å; Y381-I385 HydrophobicContact CE2-CD1 3.46Å; Y381-I385 VanDerWaalsContact CE2-CD1 3.46Å; Y381-I385 HydrophobicContact CE2-CG1 4.33Å; Y381-I385 HydrophobicContact CE2-CG2 3.87Å; Y381-I385 HydrophobicContact CG-CB 4.4Å; Y381-I385 HydrophobicContact CG-CD1 4.36Å; Y381-I385 WeakPolarHBondContact O-CA 3.39Å; Y381-I385 WeakPolarHBondContact O-CB 3.39Å; Y381-I385 PolarHBondContact O-N 2.73Å
386S80.1Confident84.1Confident41 Ų4148.3 Ų48.329%0.28725%0.246SC..Iπ-helixtrans-89.6-27.3-164.171.40000116.3Y381 T388Y381-S386 PolarHBondContact O-N 2.71Å; S386-T388 VanDerWaalsContact C-N 3.28Å; S386-T388 PolarHBondContact O-N 2.91Å; S386-T388 PolarHBondContact OG-OG1 3.33Å
387N77.6Confident84.1Confident71 Ų7151.8 Ų51.838%0.3827%0.268SS..  trans48.743-178-167.224.1000114.5Q382 A393 A396Q382-N387 VanDerWaalsContact O-CA 3.31Å; Q382-N387 WeakPolarHBondContact O-CA 3.46Å; Q382-N387 PolarHBondContact O-N 3.17Å; N387-A393 VanDerWaalsContact OD1-CA 3.26Å; N387-A393 WeakPolarHBondContact OD1-CA 3.32Å; N387-A396 HydrophobicContact CB-CB 4Å; N387-A396 WeakPolarHBondContact OD1-CB 3.48Å
388T67.1Low84Confident104 Ų10455.9 Ų55.964%0.63829%0.286SS*.  trans-97.6-13.6-173.647.50000114.7S386S386-T388 VanDerWaalsContact C-N 3.28Å; S386-T388 PolarHBondContact O-N 2.91Å; S386-T388 PolarHBondContact OG-OG1 3.33Å
389D74.5Confident83.9Confident38 Ų3854.6 Ų54.620%0.20328%0.277CS..  trans-101.3120.1-174.5-173.7-15.7000109.7R379 Q382 E391 L392 A393R379-D389 IonicContact NH1-OD2 2.69Å; Q382-D389 HydrophobicContact CG-CB 4.45Å; Q382-D389 PolarHBondContact OE1-OD2 3.49Å; D389-E391 VanDerWaalsContact C-N 3.26Å; D389-E391 PolarHBondContact O-N 3.48Å; D389-E391 PolarHBondContact OD1-N 3.34Å; D389-L392 HydrophobicContact CB-CB 4.3Å; D389-L392 CarbonylContact O-C 3.48Å; D389-L392 PolarHBondContact O-N 3.42Å; D389-L392 VanDerWaalsContact O-N 3.12Å; D389-A393 WeakPolarHBondContact O-CB 3.47Å; D389-A393 PolarHBondContact O-N 3.35Å
390E74.8Confident83.9Confident184 Ų18453.1 Ų53.186%0.8627%0.274SS*.THydrogen-bonded Turntrans-60-34.2-176.2-66.3-172.917100112.5L392E390-L392 VanDerWaalsContact C-N 3.32Å; E390-L392 PolarHBondContact O-N 2.9Å
391E75.8Confident83.8Confident152 Ų15255.9 Ų55.971%0.7129%0.293SS*.THydrogen-bonded Turntrans-69-32178.5-65.3-174.7166.400112.2D389D389-E391 VanDerWaalsContact C-N 3.26Å; D389-E391 PolarHBondContact O-N 3.48Å; D389-E391 PolarHBondContact OD1-N 3.34Å
392L80Confident83.9Confident15 Ų1557.6 Ų57.68%0.07930%0.302CS..THydrogen-bonded Turntrans-100.6-3.8-177.3-69.7169.6000113.1A175 Q382 V383 D389 E390 E394 L395 A396A175-L392 HydrophobicContact CB-CD2 4.19Å; Q382-L392 HydrophobicContact CB-CD1 4.38Å; Q382-L392 VanDerWaalsContact OE1-CD1 3.31Å; V383-L392 HydrophobicContact CG2-CB 4.1Å; V383-L392 HydrophobicContact CG2-CD1 4.24Å; V383-L392 HydrophobicContact CG2-CD2 4.04Å; V383-L392 HydrophobicContact CG2-CG 4.37Å; D389-L392 HydrophobicContact CB-CB 4.3Å; D389-L392 CarbonylContact O-C 3.48Å; D389-L392 PolarHBondContact O-N 3.42Å; D389-L392 VanDerWaalsContact O-N 3.12Å; E390-L392 VanDerWaalsContact C-N 3.32Å; E390-L392 PolarHBondContact O-N 2.9Å; L392-E394 VanDerWaalsContact C-N 3.3Å; L392-E394 PolarHBondContact O-N 3.15Å; L392-L395 HydrophobicContact CD2-CD1 4.46Å; L392-L395 PolarHBondContact O-N 3.11Å; L392-A396 PolarHBondContact O-N 3.23Å
393A81.5Confident83.9Confident30 Ų3056 Ų5625%0.24830%0.295CS..Hα-helixtrans-62.8-36.2-177.100000112.8N387 D389 L395 A396 T397N387-A393 VanDerWaalsContact OD1-CA 3.26Å; N387-A393 WeakPolarHBondContact OD1-CA 3.32Å; D389-A393 WeakPolarHBondContact O-CB 3.47Å; D389-A393 PolarHBondContact O-N 3.35Å; A393-L395 VanDerWaalsContact C-N 3.32Å; A393-L395 PolarHBondContact O-N 3.19Å; A393-A396 PolarHBondContact O-N 3.34Å; A393-T397 WeakPolarHBondContact O-CG2 3.5Å; A393-T397 PolarHBondContact O-N 3.05Å; A393-T397 PolarHBondContact O-OG1 3.47Å
394E86.3Confident83.9Confident120 Ų12063.3 Ų63.356%0.56133%0.327SS*.Hα-helixtrans-64.9-37.1174.6-160.6-163157.100111.6L392 T397 K398L392-E394 VanDerWaalsContact C-N 3.3Å; L392-E394 PolarHBondContact O-N 3.15Å; E394-T397 WeakPolarHBondContact CA-OG1 3.34Å; E394-T397 PolarHBondContact O-OG1 3.31Å; E394-K398 VanDerWaalsContact O-CG 3.27Å; E394-K398 WeakPolarHBondContact O-CG 3.26Å; E394-K398 PolarHBondContact O-N 2.89Å; E394-K398 VanDerWaalsContact OE1-CE 3.24Å; E394-K398 WeakPolarHBondContact OE1-CE 3.15Å; E394-K398 IonicContact OE1-NZ 2.6Å; E394-K398 PolarHBondContact OE1-NZ 3.46Å
395L85.8Confident84Confident31 Ų3164.4 Ų64.416%0.16233%0.333CS..Hα-helixtrans-71.3-42.8175.7-78.789.7000111.3L171 A174 A175 L392 A393 T397 K398 V399L171-L395 WeakPolarHBondContact O-CD2 3.28Å; A174-L395 HydrophobicContact CB-CD2 3.79Å; A175-L395 HydrophobicContact CB-CD2 4.36Å; L392-L395 HydrophobicContact CD2-CD1 4.46Å; L392-L395 PolarHBondContact O-N 3.11Å; A393-L395 VanDerWaalsContact C-N 3.32Å; A393-L395 PolarHBondContact O-N 3.19Å; L395-T397 PolarHBondContact O-N 3.35Å; L395-K398 CarbonylContact O-C 3.57Å; L395-K398 WeakPolarHBondContact O-CB 3.25Å; L395-K398 PolarHBondContact O-N 3.12Å; L395-V399 WeakPolarHBondContact O-CG2 3.46Å; L395-V399 PolarHBondContact O-N 3.31Å
396A86.7Confident84.2Confident2 Ų262.8 Ų62.82%0.01733%0.325CS..Hα-helixtrans-61.7-42.6178.900000112.1N387 L392 A393 K398 V399 Q400N387-A396 HydrophobicContact CB-CB 4Å; N387-A396 WeakPolarHBondContact OD1-CB 3.48Å; L392-A396 PolarHBondContact O-N 3.23Å; A393-A396 PolarHBondContact O-N 3.34Å; A396-K398 PolarHBondContact O-N 2.91Å; A396-V399 WeakPolarHBondContact O-CB 3.44Å; A396-V399 PolarHBondContact O-N 3.38Å; A396-Q400 WeakPolarHBondContact O-CG 3.35Å; A396-Q400 PolarHBondContact O-N 2.66Å
397T88.5Confident84.5Confident74 Ų7463.1 Ų63.145%0.45432%0.323SS..Hα-helixtrans-63.5-40.1174.1520000112A393 E394 L395 V399 Q400 S401A393-T397 WeakPolarHBondContact O-CG2 3.5Å; A393-T397 PolarHBondContact O-N 3.05Å; A393-T397 PolarHBondContact O-OG1 3.47Å; E394-T397 WeakPolarHBondContact CA-OG1 3.34Å; E394-T397 PolarHBondContact O-OG1 3.31Å; L395-T397 PolarHBondContact O-N 3.35Å; T397-V399 PolarHBondContact O-N 3.44Å; T397-Q400 PolarHBondContact O-N 3.2Å; T397-S401 PolarHBondContact O-N 2.75Å
398K89.8Confident85Confident86 Ų8662 Ų6237%0.37433%0.329SS..Hα-helixtrans-61-42171.4-73.3170.6-173.1168.50111.6L171 E394 L395 A396 S401 Q402L171-K398 HydrophobicContact CD1-CB 3.86Å; L171-K398 HydrophobicContact CD2-CB 4.15Å; L171-K398 HydrophobicContact CD2-CD 4.29Å; E394-K398 VanDerWaalsContact O-CG 3.27Å; E394-K398 WeakPolarHBondContact O-CG 3.26Å; E394-K398 PolarHBondContact O-N 2.89Å; E394-K398 VanDerWaalsContact OE1-CE 3.24Å; E394-K398 WeakPolarHBondContact OE1-CE 3.15Å; E394-K398 IonicContact OE1-NZ 2.6Å; E394-K398 PolarHBondContact OE1-NZ 3.46Å; L395-K398 CarbonylContact O-C 3.57Å; L395-K398 WeakPolarHBondContact O-CB 3.25Å; L395-K398 PolarHBondContact O-N 3.12Å; A396-K398 PolarHBondContact O-N 2.91Å; K398-S401 WeakPolarHBondContact O-CB 3.17Å; K398-S401 PolarHBondContact O-N 2.95Å; K398-S401 PolarHBondContact O-OG 3.13Å; K398-Q402 WeakPolarHBondContact O-CG 3.44Å; K398-Q402 PolarHBondContact O-N 2.86Å
399V89Confident86.1Confident0 Ų060.8 Ų60.80%032%0.315CS..Hα-helixtrans-61.2-47.7175.2170.10000111.2L129 V168 L171 V383 L384 L395 A396 T397 S401 Q402 A403L129-V399 HydrophobicContact CD2-CG1 4.5Å; V168-V399 HydrophobicContact CG1-CG1 3.99Å; V168-V399 HydrophobicContact CG1-CG2 3.87Å; V168-V399 HydrophobicContact CG2-CG1 4.14Å; L171-V399 HydrophobicContact CB-CG2 3.99Å; L171-V399 HydrophobicContact CD1-CB 4.46Å; L171-V399 HydrophobicContact CD1-CG2 3.69Å; V383-V399 HydrophobicContact CG1-CG2 3.7Å; L384-V399 HydrophobicContact CD2-CG1 3.8Å; L395-V399 WeakPolarHBondContact O-CG2 3.46Å; L395-V399 PolarHBondContact O-N 3.31Å; A396-V399 WeakPolarHBondContact O-CB 3.44Å; A396-V399 PolarHBondContact O-N 3.38Å; T397-V399 PolarHBondContact O-N 3.44Å; V399-S401 PolarHBondContact O-N 3.42Å; V399-Q402 WeakPolarHBondContact O-CB 3.26Å; V399-Q402 PolarHBondContact O-N 3.14Å; V399-A403 PolarHBondContact O-N 3.39Å; V399-A403 VanDerWaalsContact O-N 3.11Å
400Q88.4Confident86.7Confident62 Ų6261.5 Ų61.529%0.2932%0.318SS..Hα-helixtrans-59.8-33.6177.8-70.2-66.8-2.200112.1A396 T397 Q402 A403A396-Q400 WeakPolarHBondContact O-CG 3.35Å; A396-Q400 PolarHBondContact O-N 2.66Å; T397-Q400 PolarHBondContact O-N 3.2Å; Q400-Q402 VanDerWaalsContact C-N 3.34Å; Q400-Q402 PolarHBondContact O-N 3.33Å; Q400-A403 WeakPolarHBondContact O-CB 3.45Å; Q400-A403 PolarHBondContact O-N 2.93Å
401S89.5Confident87.3Confident58 Ų5853.4 Ų53.441%0.40628%0.281SS..Hα-helixtrans-65.3-36.2173.482.90000112.8T397 K398 V399 A403 K404T397-S401 PolarHBondContact O-N 2.75Å; K398-S401 WeakPolarHBondContact O-CB 3.17Å; K398-S401 PolarHBondContact O-N 2.95Å; K398-S401 PolarHBondContact O-OG 3.13Å; V399-S401 PolarHBondContact O-N 3.42Å; S401-A403 VanDerWaalsContact C-N 3.32Å; S401-K404 WeakPolarHBondContact O-CG 3.46Å; S401-K404 PolarHBondContact O-N 3.41Å
402Q92Very high87.9Confident66 Ų6648.6 Ų48.631%0.30827%0.267SS..Hα-helixtrans-74.2-23177.9-61.6-51.2-46.900112.6K167 V168 L171 K398 V399 Q400 K404 V405K167-Q402 HydrophobicContact CB-CB 4.26Å; K167-Q402 HydrophobicContact CB-CG 4.41Å; V168-Q402 HydrophobicContact CG2-CB 3.92Å; L171-Q402 HydrophobicContact CD1-CG 4.26Å; K398-Q402 WeakPolarHBondContact O-CG 3.44Å; K398-Q402 PolarHBondContact O-N 2.86Å; V399-Q402 WeakPolarHBondContact O-CB 3.26Å; V399-Q402 PolarHBondContact O-N 3.14Å; Q400-Q402 VanDerWaalsContact C-N 3.34Å; Q400-Q402 PolarHBondContact O-N 3.33Å; Q402-K404 PolarHBondContact O-N 3.12Å; Q402-K404 VanDerWaalsContact O-N 3.07Å; Q402-V405 WeakPolarHBondContact O-CB 3.29Å; Q402-V405 VanDerWaalsContact O-CG1 3.24Å; Q402-V405 WeakPolarHBondContact O-CG1 3.33Å; Q402-V405 PolarHBondContact O-N 2.75Å
403A89.3Confident88.4Confident1 Ų153.1 Ų53.11%0.00829%0.291CS..G310 helixtrans-58-20.8175.300000113.2R125 V399 Q400 S401 V405 L406R125-A403 HydrophobicContact CG-CB 4.25Å; V399-A403 PolarHBondContact O-N 3.39Å; V399-A403 VanDerWaalsContact O-N 3.11Å; Q400-A403 WeakPolarHBondContact O-CB 3.45Å; Q400-A403 PolarHBondContact O-N 2.93Å; S401-A403 VanDerWaalsContact C-N 3.32Å; A403-V405 PolarHBondContact O-N 3.37Å; A403-L406 VanDerWaalsContact O-CB 3.23Å; A403-L406 WeakPolarHBondContact O-CB 3.4Å; A403-L406 VanDerWaalsContact O-CG 3.3Å; A403-L406 WeakPolarHBondContact O-CG 3.36Å; A403-L406 PolarHBondContact O-N 3.32Å
404K88.5Confident88.8Confident157 Ų15752.8 Ų52.868%0.68329%0.287SS*.G310 helixtrans-56.9-20.2171.4-67.9-174.7178.1-176.30113.9S401 Q402 L406 D407S401-K404 WeakPolarHBondContact O-CG 3.46Å; S401-K404 PolarHBondContact O-N 3.41Å; Q402-K404 PolarHBondContact O-N 3.12Å; Q402-K404 VanDerWaalsContact O-N 3.07Å; K404-L406 PolarHBondContact O-N 3.41Å; K404-D407 WeakPolarHBondContact O-CB 3.44Å; K404-D407 PolarHBondContact O-N 3.18Å
405V92.3Very high89Confident23 Ų2351.2 Ų51.214%0.13928%0.278CS..G310 helixtrans-61.2-27.8173.174.70000112.3A163 L164 K167 Q402 A403 D407 G408 F409A163-V405 HydrophobicContact CB-CG2 4.43Å; L164-V405 HydrophobicContact CB-CG1 4.03Å; L164-V405 HydrophobicContact CD1-CG1 3.83Å; K167-V405 HydrophobicContact CD-CB 3.89Å; K167-V405 HydrophobicContact CD-CG1 4.19Å; K167-V405 HydrophobicContact CD-CG2 3.92Å; Q402-V405 WeakPolarHBondContact O-CB 3.29Å; Q402-V405 VanDerWaalsContact O-CG1 3.24Å; Q402-V405 WeakPolarHBondContact O-CG1 3.33Å; Q402-V405 PolarHBondContact O-N 2.75Å; A403-V405 PolarHBondContact O-N 3.37Å; V405-D407 VanDerWaalsContact C-N 3.26Å; V405-D407 PolarHBondContact O-N 3.01Å; V405-G408 WeakPolarHBondContact O-CA 3.42Å; V405-G408 PolarHBondContact O-N 3.01Å; V405-F409 HydrophobicContact CG2-CE2 4.45Å
406L89.8Confident89.4Confident4 Ų454.9 Ų54.92%0.02129%0.293CS..G310 helixtrans-63.3-33.4178.8-63.4175.9000111.8R125 C128 A160 L164 A403 K404 G408 F409 L410R125-L406 HydrophobicContact CG-CD1 4.19Å; C128-L406 HydrophobicContact CB-CD1 3.68Å; C128-L406 HydrophobicContact CB-CD2 4.41Å; A160-L406 HydrophobicContact CB-CD2 3.96Å; L164-L406 HydrophobicContact CB-CD2 4.09Å; L164-L406 HydrophobicContact CD2-CD1 4.07Å; L164-L406 HydrophobicContact CD2-CD2 4.1Å; L164-L406 HydrophobicContact CD2-CG 4.24Å; A403-L406 VanDerWaalsContact O-CB 3.23Å; A403-L406 WeakPolarHBondContact O-CB 3.4Å; A403-L406 VanDerWaalsContact O-CG 3.3Å; A403-L406 WeakPolarHBondContact O-CG 3.36Å; A403-L406 PolarHBondContact O-N 3.32Å; K404-L406 PolarHBondContact O-N 3.41Å; L406-G408 PolarHBondContact O-N 3.01Å; L406-G408 VanDerWaalsContact O-N 3.11Å; L406-F409 PolarHBondContact O-N 3.38Å; L406-L410 HydrophobicContact CB-CD1 4.32Å; L406-L410 PolarHBondContact O-N 3.39Å
407D87.1Confident89.8Confident47 Ų4754.8 Ų54.825%0.25129%0.292SS..G310 helixtrans-59.5-24.8174.4-60.21.7000111.8K121 K404 V405 F409 D411 K415K121-D407 VanDerWaalsContact CE-CG 3.43Å; K121-D407 WeakPolarHBondContact CE-OD1 3.42Å; K121-D407 WeakPolarHBondContact CE-OD2 3.37Å; K121-D407 IonicContact NZ-OD1 2.72Å; K121-D407 PolarHBondContact NZ-OD1 3.25Å; K121-D407 IonicContact NZ-OD2 3.1Å; K121-D407 PolarHBondContact NZ-OD2 3.28Å; K404-D407 WeakPolarHBondContact O-CB 3.44Å; K404-D407 PolarHBondContact O-N 3.18Å; V405-D407 VanDerWaalsContact C-N 3.26Å; V405-D407 PolarHBondContact O-N 3.01Å; D407-F409 VanDerWaalsContact C-N 3.27Å; D407-F409 PolarHBondContact O-N 2.87Å; D407-D411 HydrophobicContact CB-CB 4.07Å; D407-K415 PolarHBondContact O-NZ 3.35Å
408G87.9Confident90Very high48 Ų4854.2 Ų54.250%0.49528%0.284SS..G310 helixtrans-53.5-42.616900000113.7V405 L406 K415V405-G408 WeakPolarHBondContact O-CA 3.42Å; V405-G408 PolarHBondContact O-N 3.01Å; L406-G408 PolarHBondContact O-N 3.01Å; L406-G408 VanDerWaalsContact O-N 3.11Å; G408-K415 VanDerWaalsContact CA-NZ 3.31Å
409F89.9Confident90.2Very high78 Ų7854.2 Ų54.234%0.34229%0.288SS..THydrogen-bonded Turntrans-111.4-37.2-165.5-66.1-90.2000113.1R156 R159 A160 A163 V405 L406 D407R156-F409 WeakPolarHBondContact CD-O 3.38Å; R159-F409 HydrophobicContact CB-CE1 4.47Å; A160-F409 HydrophobicContact CB-CB 3.61Å; A160-F409 HydrophobicContact CB-CD2 4.16Å; A160-F409 HydrophobicContact CB-CG 3.89Å; A163-F409 HydrophobicContact CB-CE2 3.73Å; A163-F409 HydrophobicContact CB-CZ 3.99Å; V405-F409 HydrophobicContact CG2-CE2 4.45Å; L406-F409 PolarHBondContact O-N 3.38Å; D407-F409 VanDerWaalsContact C-N 3.27Å; D407-F409 PolarHBondContact O-N 2.87Å
410L88.4Confident90.5Very high53 Ų5360.3 Ų60.328%0.27731%0.311SS..THydrogen-bonded Turntrans-97.9-33.3-172.4-55.7-178.3000111.9R156 A160 L406 A412R156-L410 HydrophobicContact CG-CD2 4.41Å; A160-L410 HydrophobicContact CB-CD2 4.26Å; A160-L410 HydrophobicContact CB-CG 4.31Å; L406-L410 HydrophobicContact CB-CD1 4.32Å; L406-L410 PolarHBondContact O-N 3.39Å; L410-A412 PolarHBondContact O-N 3.33Å
411D86.8Confident90.9Very high14 Ų1457.4 Ų57.48%0.07530%0.298CS..  trans-95.456.5-173.5-165.516.4000112.9H117 K121 D407 D413 T414H117-D411 IonicContact NE2-OD1 3.25Å; H117-D411 PolarHBondContact NE2-OD1 3.36Å; K121-D411 WeakPolarHBondContact CE-OD2 3.46Å; K121-D411 IonicContact NZ-OD2 2.7Å; K121-D411 PolarHBondContact NZ-OD2 3.07Å; D407-D411 HydrophobicContact CB-CB 4.07Å; D411-D413 VanDerWaalsContact C-N 3.28Å; D411-T414 WeakPolarHBondContact OD1-CB 3.24Å; D411-T414 PolarHBondContact OD1-N 3.26Å; D411-T414 PolarHBondContact OD1-OG1 3.5Å; D411-T414 WeakPolarHBondContact OD2-CB 3.49Å; D411-T414 PolarHBondContact OD2-OG1 3.11Å; D411-T414 VanDerWaalsContact OD2-OG1 3.12Å
412A88.9Confident91.1Very high51 Ų5159.2 Ų59.242%0.42130%0.3SS..Hα-helixtrans-68.9-30.5176.100000112L410 F416L410-A412 PolarHBondContact O-N 3.33Å; A412-F416 WeakPolarHBondContact O-CB 3.5Å; A412-F416 PolarHBondContact O-N 3.5Å
413D90.3Very high91.3Very high110 Ų11063.4 Ų63.459%0.58832%0.317SS*.Hα-helixtrans-71.9-41.4-172.6-63.4-18.6000112.1D411 F416 S417D411-D413 VanDerWaalsContact C-N 3.28Å; D413-F416 PolarHBondContact O-N 2.97Å; D413-S417 VanDerWaalsContact O-CB 3.29Å; D413-S417 WeakPolarHBondContact O-CB 3.4Å; D413-S417 PolarHBondContact O-N 3.26Å
414T90.5Very high91.6Very high24 Ų2463.4 Ų63.415%0.14732%0.317CS..Hα-helixtrans-63-48.6175.1-54.70000110.9H117 D411 F416 S417 E418 V463H117-T414 PolarHBondContact NE2-OG1 3.12Å; H117-T414 VanDerWaalsContact NE2-OG1 3.13Å; D411-T414 WeakPolarHBondContact OD1-CB 3.24Å; D411-T414 PolarHBondContact OD1-N 3.26Å; D411-T414 PolarHBondContact OD1-OG1 3.5Å; D411-T414 WeakPolarHBondContact OD2-CB 3.49Å; D411-T414 PolarHBondContact OD2-OG1 3.11Å; D411-T414 VanDerWaalsContact OD2-OG1 3.12Å; T414-F416 VanDerWaalsContact C-N 3.32Å; T414-F416 PolarHBondContact O-N 3.21Å; T414-S417 PolarHBondContact O-N 2.98Å; T414-S417 VanDerWaalsContact O-N 3.14Å; T414-E418 HydrophobicContact CG2-CG 4.35Å; T414-E418 WeakPolarHBondContact O-CG 3.48Å; T414-E418 PolarHBondContact O-N 2.86Å; T414-V463 HydrophobicContact CG2-CG2 4.19Å
415K90.7Very high91.9Very high87 Ų8756.8 Ų56.838%0.37829%0.289SS..Hα-helixtrans-60.9-41.4177.7-69.3177.8-174.61650112.1D407 G408 N419D407-K415 PolarHBondContact O-NZ 3.35Å; G408-K415 VanDerWaalsContact CA-NZ 3.31Å; K415-N419 WeakPolarHBondContact O-CB 3.27Å; K415-N419 VanDerWaalsContact O-CG 3.31Å; K415-N419 PolarHBondContact O-N 3.19Å; K415-N419 VanDerWaalsContact O-N 3.15Å; K415-N419 PolarHBondContact O-ND2 3.26Å
416F93.3Very high92.1Very high108 Ų10859.3 Ų59.347%0.47431%0.306SS..Hα-helixtrans-63.1-45.7175.9177.1-95.7000111A412 D413 T414 R420A412-F416 WeakPolarHBondContact O-CB 3.5Å; A412-F416 PolarHBondContact O-N 3.5Å; D413-F416 PolarHBondContact O-N 2.97Å; T414-F416 VanDerWaalsContact C-N 3.32Å; T414-F416 PolarHBondContact O-N 3.21Å; F416-R420 HydrophobicContact CD1-CG 4.2Å; F416-R420 HydrophobicContact CD2-CG 4.47Å; F416-R420 HydrophobicContact CE1-CG 3.82Å; F416-R420 HydrophobicContact CE2-CG 4.12Å; F416-R420 HydrophobicContact CZ-CG 3.79Å; F416-R420 WeakPolarHBondContact O-CB 3.49Å; F416-R420 VanDerWaalsContact O-CG 3.25Å; F416-R420 WeakPolarHBondContact O-CG 3.46Å; F416-R420 PolarHBondContact O-N 2.91Å
417S94.6Very high92.4Very high0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-62.3-48.6179.9-173.20000112.4D413 T414 N419 R420 C421 R461 G462 V463 A464D413-S417 VanDerWaalsContact O-CB 3.29Å; D413-S417 WeakPolarHBondContact O-CB 3.4Å; D413-S417 PolarHBondContact O-N 3.26Å; T414-S417 PolarHBondContact O-N 2.98Å; T414-S417 VanDerWaalsContact O-N 3.14Å; S417-N419 PolarHBondContact O-N 3.25Å; S417-R420 PolarHBondContact O-N 3Å; S417-C421 WeakPolarHBondContact O-CB 3.46Å; S417-C421 PolarHBondContact O-N 3.21Å; S417-C421 PolarHBondContact O-SG 2.67Å; S417-R461 WeakPolarHBondContact CA-O 3.22Å; S417-R461 WeakPolarHBondContact CB-O 3.47Å; S417-R461 PolarHBondContact OG-O 2.86Å; S417-G462 VanDerWaalsContact OG-CA 3.26Å; S417-G462 WeakPolarHBondContact OG-CA 3.46Å; S417-V463 PolarHBondContact OG-N 3.49Å; S417-V463 VanDerWaalsContact OG-N 3.13Å; S417-A464 WeakPolarHBondContact OG-CB 3.45Å; S417-A464 PolarHBondContact OG-N 2.61Å
418E93.6Very high92.8Very high61 Ų6161.2 Ų61.229%0.28532%0.315SS..Hα-helixtrans-58.3-49.9177.5-71.9-179.5156.900111.4T414 R420 C421 Q422 A464 Y468T414-E418 HydrophobicContact CG2-CG 4.35Å; T414-E418 WeakPolarHBondContact O-CG 3.48Å; T414-E418 PolarHBondContact O-N 2.86Å; E418-R420 VanDerWaalsContact C-N 3.28Å; E418-R420 PolarHBondContact O-N 3.48Å; E418-C421 PolarHBondContact O-N 3.34Å; E418-Q422 WeakPolarHBondContact O-CB 3.42Å; E418-Q422 VanDerWaalsContact O-CG 3.26Å; E418-Q422 WeakPolarHBondContact O-CG 3.34Å; E418-Q422 PolarHBondContact O-N 3.2Å; E418-A464 HydrophobicContact CG-CB 3.91Å; E418-Y468 HydrophobicContact CG-CE2 4.41Å
419N94.4Very high93.1Very high87 Ų8760.7 Ų60.747%0.46530%0.3SS..Hα-helixtrans-61.6-35.7179.3-77.6-52.3000112.7K415 S417 K423K415-N419 WeakPolarHBondContact O-CB 3.27Å; K415-N419 VanDerWaalsContact O-CG 3.31Å; K415-N419 PolarHBondContact O-N 3.19Å; K415-N419 VanDerWaalsContact O-N 3.15Å; K415-N419 PolarHBondContact O-ND2 3.26Å; S417-N419 PolarHBondContact O-N 3.25Å; N419-K423 WeakPolarHBondContact O-CG 3.44Å; N419-K423 PolarHBondContact O-N 3.06Å
420R94.8Very high93.4Very high128 Ų12860.7 Ų60.748%0.48331%0.31SS..Hα-helixtrans-70.8-44.7175.8-73.9-69.4-173149.90.7111.5F416 S417 E418 K423 A424F416-R420 HydrophobicContact CD1-CG 4.2Å; F416-R420 HydrophobicContact CD2-CG 4.47Å; F416-R420 HydrophobicContact CE1-CG 3.82Å; F416-R420 HydrophobicContact CE2-CG 4.12Å; F416-R420 HydrophobicContact CZ-CG 3.79Å; F416-R420 WeakPolarHBondContact O-CB 3.49Å; F416-R420 VanDerWaalsContact O-CG 3.25Å; F416-R420 WeakPolarHBondContact O-CG 3.46Å; F416-R420 PolarHBondContact O-N 2.91Å; S417-R420 PolarHBondContact O-N 3Å; E418-R420 VanDerWaalsContact C-N 3.28Å; E418-R420 PolarHBondContact O-N 3.48Å; R420-K423 PolarHBondContact O-N 2.96Å; R420-A424 PolarHBondContact O-N 3.46Å
421C95.6Very high93.7Very high0 Ų059.1 Ų59.10%031%0.305CS..Hα-helixtrans-63.8-43.1178.7-65.40000111.8S417 E418 K423 A424 L425 Y456 Y468S417-C421 WeakPolarHBondContact O-CB 3.46Å; S417-C421 PolarHBondContact O-N 3.21Å; S417-C421 PolarHBondContact O-SG 2.67Å; E418-C421 PolarHBondContact O-N 3.34Å; C421-K423 VanDerWaalsContact C-N 3.27Å; C421-K423 PolarHBondContact O-N 3.21Å; C421-A424 PolarHBondContact O-N 3.26Å; C421-A424 VanDerWaalsContact O-N 3.1Å; C421-L425 PolarHBondContact O-N 3.14Å; C421-Y456 PolarHBondContact SG-OH 3.32Å; C421-Y456 VanDerWaalsContact SG-OH 3.34Å; C421-Y468 HydrophobicContact CB-CD1 4.13Å; C421-Y468 HydrophobicContact CB-CD2 3.47Å; C421-Y468 VanDerWaalsContact CB-CD2 3.47Å; C421-Y468 HydrophobicContact CB-CE2 4.05Å; C421-Y468 HydrophobicContact CB-CG 3.53Å
422Q95.3Very high94Very high97 Ų9758.5 Ų58.545%0.45330%0.301SS..Hα-helixtrans-59.3-36.1175.9-73.9174.5900112.8E418 P426 Y468E418-Q422 WeakPolarHBondContact O-CB 3.42Å; E418-Q422 VanDerWaalsContact O-CG 3.26Å; E418-Q422 WeakPolarHBondContact O-CG 3.34Å; E418-Q422 PolarHBondContact O-N 3.2Å; Q422-P426 WeakPolarHBondContact O-CD 3.4Å; Q422-Y468 HydrophobicContact CG-CE1 3.83Å; Q422-Y468 VanDerWaalsContact CG-OH 3.3Å; Q422-Y468 WeakPolarHBondContact CG-OH 3.48Å; Q422-Y468 PolarHBondContact NE2-OH 2.73Å
423K95.3Very high94.2Very high153 Ų15360.9 Ų60.967%0.66530%0.304SS*.Hα-helixtrans-75.9-30.4175.4-70.7176.7-177.4-176.20113.1N419 R420 C421 P426N419-K423 WeakPolarHBondContact O-CG 3.44Å; N419-K423 PolarHBondContact O-N 3.06Å; R420-K423 PolarHBondContact O-N 2.96Å; C421-K423 VanDerWaalsContact C-N 3.27Å; C421-K423 PolarHBondContact O-N 3.21Å; K423-P426 WeakPolarHBondContact O-CD 3.25Å; K423-P426 WeakPolarHBondContact O-CG 3.33Å
424A96.3Very high94.2Very high2 Ų258.1 Ų58.12%0.01729%0.293CS..Hα-helixtrans-77.2-33.4179.400000112.9R420 C421 L427 A428 Y456 H459 A460R420-A424 PolarHBondContact O-N 3.46Å; C421-A424 PolarHBondContact O-N 3.26Å; C421-A424 VanDerWaalsContact O-N 3.1Å; A424-L427 WeakPolarHBondContact O-CB 3.39Å; A424-L427 PolarHBondContact O-N 3.27Å; A424-A428 PolarHBondContact O-N 3.37Å; A424-Y456 HydrophobicContact CB-CD2 4.03Å; A424-Y456 HydrophobicContact CB-CE2 4.18Å; A424-H459 HydrophobicContact CB-CB 3.76Å; A424-A460 HydrophobicContact CB-CB 3.92Å
425L94.9Very high94.1Very high17 Ų1764.9 Ų64.99%0.08933%0.328CS..Hα-helixtrans-49.8-55.2178.5-86.3-176.4000114.5C421 L427 A428 H429 Y456 Y468 L472C421-L425 PolarHBondContact O-N 3.14Å; L425-L427 PolarHBondContact O-N 3.06Å; L425-A428 PolarHBondContact O-N 2.84Å; L425-A428 VanDerWaalsContact O-N 3.12Å; L425-H429 PolarHBondContact O-CD2 3.11Å; L425-H429 PolarHBondContact O-N 2.85Å; L425-Y456 HydrophobicContact CD2-CE2 4.36Å; L425-Y468 HydrophobicContact CD1-CD1 3.43Å; L425-Y468 VanDerWaalsContact CD1-CD1 3.43Å; L425-Y468 HydrophobicContact CD1-CE1 3.76Å; L425-Y468 HydrophobicContact CD2-CD1 4.47Å; L425-Y468 HydrophobicContact CG-CD1 3.93Å; L425-L472 HydrophobicContact CD2-CB 3.88Å; L425-L472 HydrophobicContact CD2-CD1 4.4Å
426P95.6Very high94Very high76 Ų7662.6 Ų62.649%0.49432%0.32SS..Hα-helixtrans-63.3-31-177.723.9-34.5000112.8Q422 K423 S430Q422-P426 WeakPolarHBondContact O-CD 3.4Å; K423-P426 WeakPolarHBondContact O-CD 3.25Å; K423-P426 WeakPolarHBondContact O-CG 3.33Å; P426-S430 WeakPolarHBondContact O-CB 3.44Å; P426-S430 PolarHBondContact O-N 3.41Å
427L95.3Very high93.5Very high91 Ų9160.9 Ų60.948%0.47632%0.319SS..Hα-helixtrans-67.4-42.2174.7-61.5173.2000111.2A424 L425 S430 A431A424-L427 WeakPolarHBondContact O-CB 3.39Å; A424-L427 PolarHBondContact O-N 3.27Å; L425-L427 PolarHBondContact O-N 3.06Å; L427-S430 PolarHBondContact O-N 3.47Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 2.96Å
428A96.2Very high92.8Very high0 Ų068.7 Ų68.70%036%0.355CS..Hα-helixtrans-67.6-39.8176.500000112.1A424 L425 A431 Y432 A452 L472A424-A428 PolarHBondContact O-N 3.37Å; L425-A428 PolarHBondContact O-N 2.84Å; L425-A428 VanDerWaalsContact O-N 3.12Å; A428-A431 WeakPolarHBondContact O-CB 3.49Å; A428-A431 PolarHBondContact O-N 3.4Å; A428-Y432 PolarHBondContact O-N 3.13Å; A428-A452 WeakPolarHBondContact O-CB 3.23Å; A428-L472 HydrophobicContact CB-CD1 3.93Å; A428-L472 HydrophobicContact CB-CD2 3.61Å; A428-L472 HydrophobicContact CB-CG 4.46Å
429H95.5Very high92.3Very high38 Ų3867.3 Ų67.318%0.17635%0.35CS..Hα-helixtrans-61.6-44.7172.9-85.2-50.1000112.5L425 A431 Y432 Q433 L472 D475L425-H429 PolarHBondContact O-CD2 3.11Å; L425-H429 PolarHBondContact O-N 2.85Å; H429-A431 VanDerWaalsContact C-N 3.32Å; H429-A431 PolarHBondContact O-N 3.5Å; H429-Y432 WeakPolarHBondContact O-CB 3.09Å; H429-Y432 PolarHBondContact O-N 3.22Å; H429-Q433 WeakPolarHBondContact O-CG 3.5Å; H429-Q433 PolarHBondContact O-N 3.24Å; H429-L472 VanDerWaalsContact CE1-CD1 3.49Å; H429-L472 WeakPolarHBondContact CE1-CD1 3.24Å; H429-D475 WeakPolarHBondContact CE1-CB 2.97Å; H429-D475 IonicContact CE1-OD2 2.64Å; H429-D475 IonicContact NE2-OD2 3.11Å; H429-D475 PolarHBondContact NE2-OD2 2.87Å
430S94.9Very high91.9Very high78 Ų7863.5 Ų63.555%0.54533%0.329SS..Hα-helixtrans-62.5-40.4174.8178.40000111.8P426 L427 Y432 Q433 S434P426-S430 WeakPolarHBondContact O-CB 3.44Å; P426-S430 PolarHBondContact O-N 3.41Å; L427-S430 PolarHBondContact O-N 3.47Å; S430-Y432 VanDerWaalsContact C-N 3.34Å; S430-Y432 PolarHBondContact O-N 2.88Å; S430-Q433 PolarHBondContact O-N 3.29Å; S430-S434 PolarHBondContact O-N 3.03Å; S430-S434 VanDerWaalsContact O-N 3.16Å
431A94.1Very high91.6Very high20 Ų2059.4 Ų59.417%0.16532%0.319CS..Hα-helixtrans-61.2-43.9173.300000111L427 A428 H429 Q433 S434 Q448 V455L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 2.96Å; A428-A431 WeakPolarHBondContact O-CB 3.49Å; A428-A431 PolarHBondContact O-N 3.4Å; H429-A431 VanDerWaalsContact C-N 3.32Å; H429-A431 PolarHBondContact O-N 3.5Å; A431-Q433 PolarHBondContact O-N 3.34Å; A431-S434 PolarHBondContact O-N 2.99Å; A431-S434 PolarHBondContact O-OG 2.87Å; A431-Q448 PolarHBondContact O-NE2 3.37Å; A431-V455 HydrophobicContact CB-CB 4.29Å; A431-V455 HydrophobicContact CB-CG1 4.43Å; A431-V455 HydrophobicContact CB-CG2 3.96Å
432Y94.8Very high91.2Very high1 Ų161 Ų610%0.00433%0.329CS..Hα-helixtrans-58.2-48.5175.6-177.7-92.5000111.8A428 H429 S430 S434 L436 Y440 H445 Q448 L449 A452 C476 F479A428-Y432 PolarHBondContact O-N 3.13Å; H429-Y432 WeakPolarHBondContact O-CB 3.09Å; H429-Y432 PolarHBondContact O-N 3.22Å; S430-Y432 VanDerWaalsContact C-N 3.34Å; S430-Y432 PolarHBondContact O-N 2.88Å; Y432-S434 PolarHBondContact O-N 3.02Å; Y432-L436 HydrophobicContact CD1-CD1 4.07Å; Y432-L436 HydrophobicContact CE1-CD1 3.73Å; Y432-L436 VanDerWaalsContact O-CD1 3.24Å; Y432-L436 WeakPolarHBondContact O-CD1 3.26Å; Y432-L436 WeakPolarHBondContact O-CG 3.43Å; Y432-Y440 PolarHBondContact OH-OH 3.31Å; Y432-H445 AromaticContact CE2-ND1 3.81Å; Y432-H445 AromaticContact CZ-ND1 3.65Å; Y432-H445 PolarHBondContact OH-ND1 2.91Å; Y432-Q448 HydrophobicContact CD2-CB 4.03Å; Y432-Q448 HydrophobicContact CD2-CG 3.69Å; Y432-Q448 HydrophobicContact CE2-CB 3.88Å; Y432-Q448 HydrophobicContact CE2-CG 3.96Å; Y432-Q448 HydrophobicContact CG-CG 4.14Å; Y432-Q448 WeakPolarHBondContact O-CG 3.49Å; Y432-Q448 PolarHBondContact O-NE2 3.32Å; Y432-Q448 VanDerWaalsContact O-NE2 3.12Å; Y432-L449 HydrophobicContact CD2-CB 4.36Å; Y432-L449 HydrophobicContact CE2-CB 4.11Å; Y432-A452 HydrophobicContact CD2-CB 4.33Å; Y432-C476 HydrophobicContact CD1-CB 4.41Å; Y432-C476 HydrophobicContact CD2-CB 4.03Å; Y432-C476 HydrophobicContact CE1-CB 4.39Å; Y432-C476 HydrophobicContact CE2-CB 3.96Å; Y432-C476 HydrophobicContact CG-CB 4.26Å; Y432-C476 VanDerWaalsContact CG-SG 3.54Å; Y432-F479 HydrophobicContact CD1-CD1 4.33Å; Y432-F479 AromaticContact CE1-CD1 3.7Å; Y432-F479 HydrophobicContact CE1-CD1 3.7Å; Y432-F479 HydrophobicContact CE1-CE1 4.21Å
433Q91.8Very high90.9Very high101 Ų10160.6 Ų60.647%0.47233%0.333SS..Hα-helixtrans-74.6-8.3-175-66.9172.2-8.900114.3H429 S430 A431 F479H429-Q433 WeakPolarHBondContact O-CG 3.5Å; H429-Q433 PolarHBondContact O-N 3.24Å; S430-Q433 PolarHBondContact O-N 3.29Å; A431-Q433 PolarHBondContact O-N 3.34Å; Q433-F479 HydrophobicContact CG-CE1 4.32Å; Q433-F479 HydrophobicContact CG-CE2 4.35Å; Q433-F479 HydrophobicContact CG-CZ 4.07Å
434S91.4Very high90.7Very high51 Ų5155.8 Ų55.836%0.35732%0.316SS..THydrogen-bonded Turntrans-72.7132.5-178.571.50000112.3S430 A431 Y432 L436S430-S434 PolarHBondContact O-N 3.03Å; S430-S434 VanDerWaalsContact O-N 3.16Å; A431-S434 PolarHBondContact O-N 2.99Å; A431-S434 PolarHBondContact O-OG 2.87Å; Y432-S434 PolarHBondContact O-N 3.02Å; S434-L436 PolarHBondContact O-N 2.85Å
435N87.9Confident90.5Very high166 Ų16656.1 Ų56.189%0.88832%0.317SS*.THydrogen-bonded Turntrans56.728.9174.6-56.2-54.7000115.6
436L87.4Confident90.3Very high39 Ų3961.8 Ų61.820%0.20434%0.341CS..  trans-82.2135.9176.5-75.3178.8000112.2Y432 S434 Y440 V444 Q448 F479Y432-L436 HydrophobicContact CD1-CD1 4.07Å; Y432-L436 HydrophobicContact CE1-CD1 3.73Å; Y432-L436 VanDerWaalsContact O-CD1 3.24Å; Y432-L436 WeakPolarHBondContact O-CD1 3.26Å; Y432-L436 WeakPolarHBondContact O-CG 3.43Å; S434-L436 PolarHBondContact O-N 2.85Å; L436-Y440 HydrophobicContact CB-CE1 4.25Å; L436-Y440 HydrophobicContact CD1-CE1 4Å; L436-Y440 HydrophobicContact CD2-CD1 4.4Å; L436-Y440 HydrophobicContact CD2-CE1 4.11Å; L436-Y440 HydrophobicContact CD2-CE2 4.35Å; L436-Y440 HydrophobicContact CG-CE1 4.38Å; L436-V444 HydrophobicContact CD2-CG1 4.29Å; L436-Q448 HydrophobicContact CD2-CB 4.22Å; L436-Q448 HydrophobicContact CD2-CG 3.87Å; L436-Q448 HydrophobicContact CG-CG 4.37Å; L436-F479 HydrophobicContact CD1-CE1 4.28Å
437P84.2Confident90.2Very high72 Ų7263.4 Ų63.447%0.46835%0.346SS..  trans-59.6157.9165.4-21.433.3000111.7N439 Y440P437-N439 PolarHBondContact O-N 2.77Å; P437-Y440 WeakPolarHBondContact O-CD1 3.46Å
438H79.1Confident90.2Very high164 Ų16460.8 Ų60.876%0.75933%0.331SS*.SBendtrans-56.1-40.3176.7-82.7-66.4000112.9H484H438-H484 PolarHBondContact O-ND1 3.48Å
439N83.3Confident90.1Very high33 Ų3361.2 Ų61.218%0.17633%0.333CS..SBendtrans-136.1136.7175.3-67.290.4000108.8P437 G483 H484 L486 K500P437-N439 PolarHBondContact O-N 2.77Å; N439-G483 PolarHBondContact ND2-O 3.26Å; N439-H484 CarbonylContact C-O 3.55Å; N439-H484 WeakPolarHBondContact CA-O 3.42Å; N439-L486 HydrophobicContact CB-CD1 4.39Å; N439-L486 HydrophobicContact CB-CD2 3.43Å; N439-L486 VanDerWaalsContact CB-CD2 3.43Å; N439-L486 HydrophobicContact CB-CG 3.64Å; N439-L486 WeakPolarHBondContact O-CD1 3.36Å; N439-K500 WeakPolarHBondContact ND2-CD 3.41Å; N439-K500 VanDerWaalsContact OD1-CE 3.27Å; N439-K500 WeakPolarHBondContact OD1-CE 3.31Å
440Y86.9Confident90.1Very high6 Ų662.2 Ų62.22%0.02435%0.348CS..BIsolated β-bridgetrans-149.3162.7-175.655.8-87.2000112.7Y432 L436 P437 V444 H445 W480 H484 L486Y432-Y440 PolarHBondContact OH-OH 3.31Å; L436-Y440 HydrophobicContact CB-CE1 4.25Å; L436-Y440 HydrophobicContact CD1-CE1 4Å; L436-Y440 HydrophobicContact CD2-CD1 4.4Å; L436-Y440 HydrophobicContact CD2-CE1 4.11Å; L436-Y440 HydrophobicContact CD2-CE2 4.35Å; L436-Y440 HydrophobicContact CG-CE1 4.38Å; P437-Y440 WeakPolarHBondContact O-CD1 3.46Å; Y440-V444 HydrophobicContact CD2-CB 3.85Å; Y440-V444 HydrophobicContact CD2-CG1 3.82Å; Y440-V444 HydrophobicContact CG-CB 4.27Å; Y440-V444 HydrophobicContact CG-CG1 4.05Å; Y440-H445 HydrophobicContact CD2-CB 4.31Å; Y440-H445 HydrophobicContact CE2-CB 3.86Å; Y440-W480 AromaticContact CD2-CD1 3.8Å; Y440-W480 AromaticContact CD2-NE1 3.84Å; Y440-W480 AromaticContact CE2-CD1 3.23Å; Y440-W480 AromaticContact CE2-CG 3.99Å; Y440-W480 HydrophobicContact CE2-CG 3.99Å; Y440-W480 AromaticContact CE2-NE1 3.72Å; Y440-W480 AromaticContact CZ-CD1 3.49Å; Y440-W480 VanDerWaalsContact CZ-CD1 3.49Å; Y440-W480 PolarHBondContact O-NE1 3.05Å; Y440-W480 VanDerWaalsContact O-NE1 3.15Å; Y440-H484 HydrophobicContact CE1-CB 4Å; Y440-H484 PolarHBondContact N-O 3.15Å; Y440-L486 PolarHBondContact O-N 3.44Å
441T87.9Confident90.1Very high43 Ų4362.6 Ų62.626%0.26434%0.341SS..  trans-80.2164.5-177.863.80000112.3T443 V444 H445 L486 E488T441-T443 PolarHBondContact O-N 3.35Å; T441-V444 PolarHBondContact O-N 3.46Å; T441-H445 PolarHBondContact O-N 3.27Å; T441-L486 HydrophobicContact CG2-CD1 4.48Å; T441-E488 VanDerWaalsContact CA-OE1 3.3Å; T441-E488 WeakPolarHBondContact CA-OE1 3.38Å; T441-E488 WeakPolarHBondContact CB-OE1 3.24Å; T441-E488 HydrophobicContact CG2-CG 4.03Å
442T88.1Confident90.1Very high34 Ų3461.7 Ų61.721%0.20933%0.334CS..Hα-helixtrans-53.1-35.5173-46.80000111.8H445 K446 W480 E488T442-H445 WeakPolarHBondContact O-CB 3.46Å; T442-H445 PolarHBondContact O-N 2.63Å; T442-K446 HydrophobicContact CG2-CD 4.26Å; T442-K446 HydrophobicContact CG2-CG 4.5Å; T442-K446 WeakPolarHBondContact O-CB 3.41Å; T442-K446 VanDerWaalsContact O-CG 3.32Å; T442-K446 WeakPolarHBondContact O-CG 3.42Å; T442-K446 PolarHBondContact O-N 3.42Å; T442-W480 VanDerWaalsContact CA-CZ2 3.48Å; T442-W480 HydrophobicContact CG2-CH2 3.78Å; T442-W480 HydrophobicContact CG2-CZ2 4.39Å; T442-W480 HydrophobicContact CG2-CZ3 4.4Å; T442-W480 WeakPolarHBondContact OG1-CH2 3.44Å; T442-W480 WeakPolarHBondContact OG1-CZ2 3.44Å; T442-E488 VanDerWaalsContact CB-OE1 3.31Å; T442-E488 WeakPolarHBondContact CB-OE1 3.49Å; T442-E488 PolarHBondContact N-OE1 3.24Å; T442-E488 PolarHBondContact OG1-OE1 2.9Å
443T89.1Confident90.2Very high87 Ų8764.2 Ų64.253%0.53435%0.347SS..Hα-helixtrans-63.8-44.6177.1-43.80000111.6T441 K446 N447T441-T443 PolarHBondContact O-N 3.35Å; T443-K446 PolarHBondContact O-N 3.18Å; T443-N447 VanDerWaalsContact O-CG 3.25Å; T443-N447 PolarHBondContact O-N 3.33Å; T443-N447 VanDerWaalsContact O-N 3.08Å; T443-N447 PolarHBondContact O-ND2 3.05Å
444V89.6Confident90.4Very high53 Ų5366.9 Ų66.932%0.32135%0.353SS..Hα-helixtrans-67.2-42.4177.6178.20000110.3L436 Y440 T441 K446 N447 Q448L436-V444 HydrophobicContact CD2-CG1 4.29Å; Y440-V444 HydrophobicContact CD2-CB 3.85Å; Y440-V444 HydrophobicContact CD2-CG1 3.82Å; Y440-V444 HydrophobicContact CG-CB 4.27Å; Y440-V444 HydrophobicContact CG-CG1 4.05Å; T441-V444 PolarHBondContact O-N 3.46Å; V444-K446 PolarHBondContact O-N 3.32Å; V444-N447 PolarHBondContact O-N 3.24Å; V444-Q448 WeakPolarHBondContact O-CB 3.33Å; V444-Q448 PolarHBondContact O-N 3.09Å
445H91.9Very high90.5Very high8 Ų865.7 Ų65.74%0.03734%0.343CS..Hα-helixtrans-53.5-53.1173.3170.163.7000111.8Y432 Y440 T441 T442 N447 Q448 L449 W480Y432-H445 AromaticContact CE2-ND1 3.81Å; Y432-H445 AromaticContact CZ-ND1 3.65Å; Y432-H445 PolarHBondContact OH-ND1 2.91Å; Y440-H445 HydrophobicContact CD2-CB 4.31Å; Y440-H445 HydrophobicContact CE2-CB 3.86Å; T441-H445 PolarHBondContact O-N 3.27Å; T442-H445 WeakPolarHBondContact O-CB 3.46Å; T442-H445 PolarHBondContact O-N 2.63Å; H445-N447 PolarHBondContact O-N 3.12Å; H445-Q448 PolarHBondContact O-N 3.22Å; H445-L449 VanDerWaalsContact O-CB 3.23Å; H445-L449 WeakPolarHBondContact O-CB 3.3Å; H445-L449 PolarHBondContact O-N 3.39Å; H445-W480 HydrophobicContact CB-CD2 3.85Å; H445-W480 HydrophobicContact CB-CE3 4.27Å; H445-W480 HydrophobicContact CB-CG 4.06Å; H445-W480 HydrophobicContact CB-CZ2 4.5Å; H445-W480 AromaticContact CD2-CE3 3.68Å; H445-W480 AromaticContact CG-CD2 3.73Å; H445-W480 AromaticContact CG-CE3 3.77Å; H445-W480 AromaticContact CG-CG 3.96Å; H445-W480 AromaticContact ND1-CG 3.88Å
446K92.4Very high91Very high136 Ų13657.8 Ų57.859%0.59130%0.301SS*.Hα-helixtrans-60.7-42.8-179-75.1176.8176.4178.70112.3T442 T443 V444 A450T442-K446 HydrophobicContact CG2-CD 4.26Å; T442-K446 HydrophobicContact CG2-CG 4.5Å; T442-K446 WeakPolarHBondContact O-CB 3.41Å; T442-K446 VanDerWaalsContact O-CG 3.32Å; T442-K446 WeakPolarHBondContact O-CG 3.42Å; T442-K446 PolarHBondContact O-N 3.42Å; T443-K446 PolarHBondContact O-N 3.18Å; V444-K446 PolarHBondContact O-N 3.32Å; K446-A450 WeakPolarHBondContact O-CB 3.32Å; K446-A450 PolarHBondContact O-N 3.34Å
447N93.4Very high91.3Very high111 Ų11158.3 Ų58.359%0.59431%0.308SS*.Hα-helixtrans-64.3-44.3177.7-70.9-15.8000111.8T443 V444 H445 A450 Q451T443-N447 VanDerWaalsContact O-CG 3.25Å; T443-N447 PolarHBondContact O-N 3.33Å; T443-N447 VanDerWaalsContact O-N 3.08Å; T443-N447 PolarHBondContact O-ND2 3.05Å; V444-N447 PolarHBondContact O-N 3.24Å; H445-N447 PolarHBondContact O-N 3.12Å; N447-A450 PolarHBondContact O-N 3.08Å; N447-Q451 PolarHBondContact O-N 3.25Å; N447-Q451 VanDerWaalsContact O-N 3.14Å
448Q93.6Very high91.8Very high36 Ų3660 Ų6017%0.16831%0.309CS..Hα-helixtrans-69.5-38.2180-1666521.600112.1A431 Y432 L436 V444 H445 Q451 A452A431-Q448 PolarHBondContact O-NE2 3.37Å; Y432-Q448 HydrophobicContact CD2-CB 4.03Å; Y432-Q448 HydrophobicContact CD2-CG 3.69Å; Y432-Q448 HydrophobicContact CE2-CB 3.88Å; Y432-Q448 HydrophobicContact CE2-CG 3.96Å; Y432-Q448 HydrophobicContact CG-CG 4.14Å; Y432-Q448 WeakPolarHBondContact O-CG 3.49Å; Y432-Q448 PolarHBondContact O-NE2 3.32Å; Y432-Q448 VanDerWaalsContact O-NE2 3.12Å; L436-Q448 HydrophobicContact CD2-CB 4.22Å; L436-Q448 HydrophobicContact CD2-CG 3.87Å; L436-Q448 HydrophobicContact CG-CG 4.37Å; V444-Q448 WeakPolarHBondContact O-CB 3.33Å; V444-Q448 PolarHBondContact O-N 3.09Å; H445-Q448 PolarHBondContact O-N 3.22Å; Q448-Q451 WeakPolarHBondContact O-CB 3.46Å; Q448-Q451 PolarHBondContact O-N 3.14Å; Q448-A452 PolarHBondContact O-N 3.1Å
449L94.9Very high92.5Very high9 Ų956.7 Ų56.75%0.04729%0.294CS..Hα-helixtrans-63.8-42174.7179.757000111.7Y432 H445 Q451 A452 L453 H473 C476Y432-L449 HydrophobicContact CD2-CB 4.36Å; Y432-L449 HydrophobicContact CE2-CB 4.11Å; H445-L449 VanDerWaalsContact O-CB 3.23Å; H445-L449 WeakPolarHBondContact O-CB 3.3Å; H445-L449 PolarHBondContact O-N 3.39Å; L449-Q451 VanDerWaalsContact C-N 3.28Å; L449-Q451 PolarHBondContact O-N 3.39Å; L449-A452 PolarHBondContact O-N 2.96Å; L449-L453 HydrophobicContact CD1-CD1 4.31Å; L449-L453 HydrophobicContact CD1-CG 4.3Å; L449-L453 HydrophobicContact CG-CD1 4.12Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 WeakPolarHBondContact O-CG 3.49Å; L449-L453 PolarHBondContact O-N 2.82Å; L449-H473 VanDerWaalsContact CD2-CD2 3.46Å; L449-H473 WeakPolarHBondContact CD2-CD2 3.11Å; L449-C476 HydrophobicContact CD1-CB 3.78Å
450A94.8Very high93Very high59 Ų5955.1 Ų55.149%0.48829%0.286SS..Hα-helixtrans-60.1-40.1174.100000111.8K446 N447 L453 R454K446-A450 WeakPolarHBondContact O-CB 3.32Å; K446-A450 PolarHBondContact O-N 3.34Å; N447-A450 PolarHBondContact O-N 3.08Å; A450-L453 PolarHBondContact O-N 3.42Å; A450-R454 WeakPolarHBondContact O-CB 3.34Å; A450-R454 PolarHBondContact O-N 2.91Å
451Q94.8Very high93.1Very high86 Ų8661.3 Ų61.340%0.40231%0.309SS..Hα-helixtrans-66.2-42174.9-179.460.115.100112.2N447 Q448 L449 R454 V455N447-Q451 PolarHBondContact O-N 3.25Å; N447-Q451 VanDerWaalsContact O-N 3.14Å; Q448-Q451 WeakPolarHBondContact O-CB 3.46Å; Q448-Q451 PolarHBondContact O-N 3.14Å; L449-Q451 VanDerWaalsContact C-N 3.28Å; L449-Q451 PolarHBondContact O-N 3.39Å; Q451-R454 WeakPolarHBondContact O-CB 3.43Å; Q451-R454 PolarHBondContact O-N 3.42Å; Q451-V455 PolarHBondContact O-N 3.41Å
452A96Very high93.3Very high0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-62.5-44.3175.500000112A428 Y432 Q448 L449 R454 V455 Y456A428-A452 WeakPolarHBondContact O-CB 3.23Å; Y432-A452 HydrophobicContact CD2-CB 4.33Å; Q448-A452 PolarHBondContact O-N 3.1Å; L449-A452 PolarHBondContact O-N 2.96Å; A452-R454 VanDerWaalsContact C-N 3.28Å; A452-R454 PolarHBondContact O-N 2.85Å; A452-V455 PolarHBondContact O-N 3.05Å; A452-Y456 WeakPolarHBondContact O-CB 3.35Å; A452-Y456 PolarHBondContact O-N 3.34Å
453L95.6Very high93.4Very high55 Ų5560.4 Ų60.429%0.28831%0.311SS..Hα-helixtrans-62.3-35.7174.6-75.1167.3000111.9L449 A450 Y456 S457 A469 L472L449-L453 HydrophobicContact CD1-CD1 4.31Å; L449-L453 HydrophobicContact CD1-CG 4.3Å; L449-L453 HydrophobicContact CG-CD1 4.12Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 WeakPolarHBondContact O-CG 3.49Å; L449-L453 PolarHBondContact O-N 2.82Å; A450-L453 PolarHBondContact O-N 3.42Å; L453-Y456 WeakPolarHBondContact O-CB 3.46Å; L453-Y456 PolarHBondContact O-N 3.39Å; L453-S457 WeakPolarHBondContact O-CB 3.45Å; L453-S457 PolarHBondContact O-N 3.01Å; L453-A469 HydrophobicContact CD2-CB 4.36Å; L453-L472 HydrophobicContact CD2-CD2 3.96Å; L453-L472 HydrophobicContact CG-CD2 4.44Å
454R95.4Very high93.5Very high156 Ų15656.8 Ų56.859%0.58929%0.29SS*.Hα-helixtrans-63-46.7173.4-174.2179.6180-177.40.9111.5A450 Q451 A452 S457 Q458A450-R454 WeakPolarHBondContact O-CB 3.34Å; A450-R454 PolarHBondContact O-N 2.91Å; Q451-R454 WeakPolarHBondContact O-CB 3.43Å; Q451-R454 PolarHBondContact O-N 3.42Å; A452-R454 VanDerWaalsContact C-N 3.28Å; A452-R454 PolarHBondContact O-N 2.85Å; R454-S457 PolarHBondContact O-N 3.21Å; R454-S457 PolarHBondContact O-OG 2.77Å; R454-Q458 WeakPolarHBondContact O-CG 3.44Å; R454-Q458 PolarHBondContact O-N 2.95Å
455V95.2Very high93.7Very high26 Ų2657.1 Ų57.116%0.15829%0.287CS..Hα-helixtrans-62.3-44.6175.8174.30000110.7A431 Q451 A452 S457 Q458 H459A431-V455 HydrophobicContact CB-CB 4.29Å; A431-V455 HydrophobicContact CB-CG1 4.43Å; A431-V455 HydrophobicContact CB-CG2 3.96Å; Q451-V455 PolarHBondContact O-N 3.41Å; A452-V455 PolarHBondContact O-N 3.05Å; V455-S457 VanDerWaalsContact C-N 3.31Å; V455-S457 PolarHBondContact O-N 3.07Å; V455-Q458 WeakPolarHBondContact O-CB 3.07Å; V455-Q458 PolarHBondContact O-N 3.36Å; V455-H459 PolarHBondContact O-CD2 2.96Å; V455-H459 PolarHBondContact O-N 3.12Å
456Y96.8Very high93.7Very high1 Ų162.7 Ų62.70%0.00431%0.313CS..Hα-helixtrans-55.5-46.6174.4177.5-101.9000111.6C421 A424 L425 A452 L453 Q458 H459 A460 F465 Y468 A469 L472C421-Y456 PolarHBondContact SG-OH 3.32Å; C421-Y456 VanDerWaalsContact SG-OH 3.34Å; A424-Y456 HydrophobicContact CB-CD2 4.03Å; A424-Y456 HydrophobicContact CB-CE2 4.18Å; L425-Y456 HydrophobicContact CD2-CE2 4.36Å; A452-Y456 WeakPolarHBondContact O-CB 3.35Å; A452-Y456 PolarHBondContact O-N 3.34Å; L453-Y456 WeakPolarHBondContact O-CB 3.46Å; L453-Y456 PolarHBondContact O-N 3.39Å; Y456-Q458 PolarHBondContact O-N 3Å; Y456-Q458 VanDerWaalsContact O-N 3.14Å; Y456-H459 PolarHBondContact O-N 2.96Å; Y456-H459 VanDerWaalsContact O-N 3.11Å; Y456-A460 HydrophobicContact CD1-CB 4.2Å; Y456-A460 HydrophobicContact CD2-CB 3.88Å; Y456-A460 HydrophobicContact CE1-CB 3.74Å; Y456-A460 HydrophobicContact CE2-CB 3.39Å; Y456-A460 HydrophobicContact CG-CB 4.24Å; Y456-A460 WeakPolarHBondContact O-CB 3.44Å; Y456-A460 PolarHBondContact O-N 2.92Å; Y456-A460 WeakPolarHBondContact OH-CB 3.48Å; Y456-F465 HydrophobicContact CD1-CD2 4.38Å; Y456-F465 AromaticContact CD1-CE2 3.68Å; Y456-F465 HydrophobicContact CD1-CE2 3.68Å; Y456-F465 AromaticContact CD1-CZ 3.86Å; Y456-F465 HydrophobicContact CD1-CZ 3.86Å; Y456-F465 HydrophobicContact CE1-CD1 4.44Å; Y456-F465 AromaticContact CE1-CD2 3.56Å; Y456-F465 HydrophobicContact CE1-CD2 3.56Å; Y456-F465 HydrophobicContact CE1-CE1 4.22Å; Y456-F465 AromaticContact CE1-CE2 3.29Å; Y456-F465 HydrophobicContact CE1-CE2 3.29Å; Y456-F465 HydrophobicContact CE1-CG 4.14Å; Y456-F465 AromaticContact CE1-CZ 3.65Å; Y456-F465 HydrophobicContact CE1-CZ 3.65Å; Y456-F465 PolarHBondContact OH-O 3.45Å; Y456-Y468 WeakPolarHBondContact OH-CB 3.42Å; Y456-A469 HydrophobicContact CD1-CB 4.26Å; Y456-A469 HydrophobicContact CE1-CB 3.78Å; Y456-L472 HydrophobicContact CD2-CD2 4.37Å; Y456-L472 HydrophobicContact CG-CD2 4.04Å
457S94.7Very high93.7Very high49 Ų4964.4 Ų64.434%0.34332%0.316SS..Hα-helixtrans-63.7-16.6178.280.40000114.6L453 R454 V455 R461L453-S457 WeakPolarHBondContact O-CB 3.45Å; L453-S457 PolarHBondContact O-N 3.01Å; R454-S457 PolarHBondContact O-N 3.21Å; R454-S457 PolarHBondContact O-OG 2.77Å; V455-S457 VanDerWaalsContact C-N 3.31Å; V455-S457 PolarHBondContact O-N 3.07Å; S457-R461 PolarHBondContact O-NH1 2.95Å
458Q94.5Very high93.8Very high108 Ų10860.1 Ų60.151%0.50529%0.292SS..Hα-helixtrans-83.2-32.3175.3-69.8172-0.700112R454 V455 Y456R454-Q458 WeakPolarHBondContact O-CG 3.44Å; R454-Q458 PolarHBondContact O-N 2.95Å; V455-Q458 WeakPolarHBondContact O-CB 3.07Å; V455-Q458 PolarHBondContact O-N 3.36Å; Y456-Q458 PolarHBondContact O-N 3Å; Y456-Q458 VanDerWaalsContact O-N 3.14Å
459H92.9Very high93.8Very high95 Ų9559 Ų5944%0.4429%0.288SS..Hα-helixtrans-105.9-29.8-171.7-66-69.9000114.4A424 V455 Y456A424-H459 HydrophobicContact CB-CB 3.76Å; V455-H459 PolarHBondContact O-CD2 2.96Å; V455-H459 PolarHBondContact O-N 3.12Å; Y456-H459 PolarHBondContact O-N 2.96Å; Y456-H459 VanDerWaalsContact O-N 3.11Å
460A94Very high93.8Very high0 Ų062 Ų620%031%0.307CS..  trans-88.2140.3-179.400000111.9A424 Y456 F465A424-A460 HydrophobicContact CB-CB 3.92Å; Y456-A460 HydrophobicContact CD1-CB 4.2Å; Y456-A460 HydrophobicContact CD2-CB 3.88Å; Y456-A460 HydrophobicContact CE1-CB 3.74Å; Y456-A460 HydrophobicContact CE2-CB 3.39Å; Y456-A460 HydrophobicContact CG-CB 4.24Å; Y456-A460 WeakPolarHBondContact O-CB 3.44Å; Y456-A460 PolarHBondContact O-N 2.92Å; Y456-A460 WeakPolarHBondContact OH-CB 3.48Å; A460-F465 HydrophobicContact CB-CD2 3.67Å; A460-F465 HydrophobicContact CB-CE2 3.86Å
461R90.1Very high93.8Very high135 Ų13562.7 Ų62.751%0.50930%0.3SS..  trans-147.3155.7-179.4-68.4-67.1-178.9-863.8110.9S417 S457S417-R461 WeakPolarHBondContact CA-O 3.22Å; S417-R461 WeakPolarHBondContact CB-O 3.47Å; S417-R461 PolarHBondContact OG-O 2.86Å; S457-R461 PolarHBondContact O-NH1 2.95Å
462G91Very high93.8Very high38 Ų3858.6 Ų58.639%0.39228%0.281SS..SBendtrans94.9-168170.500000114.4S417 A464 F465S417-G462 VanDerWaalsContact OG-CA 3.26Å; S417-G462 WeakPolarHBondContact OG-CA 3.46Å; G462-A464 VanDerWaalsContact C-N 3.32Å; G462-A464 PolarHBondContact O-N 3.18Å; G462-F465 WeakPolarHBondContact O-CB 3.46Å; G462-F465 PolarHBondContact O-N 3.22Å
463V91.1Very high93.8Very high21 Ų2162.9 Ų62.913%0.12730%0.301CS..THydrogen-bonded Turntrans-64.3-30.6-169.4-59.60000114.3H117 T414 S417 F465H117-V463 HydrophobicContact CB-CB 4.33Å; H117-V463 HydrophobicContact CB-CG1 3.64Å; H117-V463 VanDerWaalsContact CG-CG1 3.41Å; T414-V463 HydrophobicContact CG2-CG2 4.19Å; S417-V463 PolarHBondContact OG-N 3.49Å; S417-V463 VanDerWaalsContact OG-N 3.13Å; V463-F465 VanDerWaalsContact C-N 3.27Å; V463-F465 PolarHBondContact O-N 2.83Å
464A91.9Very high93.8Very high11 Ų1164.8 Ų64.89%0.09131%0.308CS..THydrogen-bonded Turntrans-82.1-4.4-178.800000113.1S417 E418 G462 Q466 R467 Y468S417-A464 WeakPolarHBondContact OG-CB 3.45Å; S417-A464 PolarHBondContact OG-N 2.61Å; E418-A464 HydrophobicContact CG-CB 3.91Å; G462-A464 VanDerWaalsContact C-N 3.32Å; G462-A464 PolarHBondContact O-N 3.18Å; A464-Q466 PolarHBondContact O-N 3.05Å; A464-R467 PolarHBondContact O-N 3.46Å; A464-Y468 HydrophobicContact CB-CD2 3.93Å; A464-Y468 HydrophobicContact CB-CE2 4.13Å; A464-Y468 WeakPolarHBondContact O-CD2 3.34Å; A464-Y468 PolarHBondContact O-N 3.4Å
465F93Very high93.7Very high59 Ų5959.8 Ų59.826%0.25929%0.293SS..Hα-helixtrans-52.1-50.7-174.9179.4-90.6000112.9Y456 A460 G462 V463 R467 Y468 A469Y456-F465 HydrophobicContact CD1-CD2 4.38Å; Y456-F465 AromaticContact CD1-CE2 3.68Å; Y456-F465 HydrophobicContact CD1-CE2 3.68Å; Y456-F465 AromaticContact CD1-CZ 3.86Å; Y456-F465 HydrophobicContact CD1-CZ 3.86Å; Y456-F465 HydrophobicContact CE1-CD1 4.44Å; Y456-F465 AromaticContact CE1-CD2 3.56Å; Y456-F465 HydrophobicContact CE1-CD2 3.56Å; Y456-F465 HydrophobicContact CE1-CE1 4.22Å; Y456-F465 AromaticContact CE1-CE2 3.29Å; Y456-F465 HydrophobicContact CE1-CE2 3.29Å; Y456-F465 HydrophobicContact CE1-CG 4.14Å; Y456-F465 AromaticContact CE1-CZ 3.65Å; Y456-F465 HydrophobicContact CE1-CZ 3.65Å; Y456-F465 PolarHBondContact OH-O 3.45Å; A460-F465 HydrophobicContact CB-CD2 3.67Å; A460-F465 HydrophobicContact CB-CE2 3.86Å; G462-F465 WeakPolarHBondContact O-CB 3.46Å; G462-F465 PolarHBondContact O-N 3.22Å; V463-F465 VanDerWaalsContact C-N 3.27Å; V463-F465 PolarHBondContact O-N 2.83Å; F465-R467 PolarHBondContact O-N 3.42Å; F465-Y468 PolarHBondContact O-N 3.12Å; F465-A469 WeakPolarHBondContact O-CB 3.36Å; F465-A469 PolarHBondContact O-N 3.5Å
466Q91.8Very high93.7Very high125 Ų12558.6 Ų58.658%0.58429%0.286SS*.Hα-helixtrans-65.2-43.2-174.4-17065.88.400111.9A464 Y468 A469 V470A464-Q466 PolarHBondContact O-N 3.05Å; Q466-Y468 VanDerWaalsContact C-N 3.34Å; Q466-Y468 PolarHBondContact O-N 2.97Å; Q466-A469 PolarHBondContact O-N 3.01Å; Q466-V470 WeakPolarHBondContact O-CG2 3.47Å; Q466-V470 PolarHBondContact O-N 3.18Å
467R92.9Very high93.4Very high173 Ų17363 Ų6365%0.65330%0.303SS*.Hα-helixtrans-58.2-46.6177.9177.9-179172.2-173.6-1.6111.5A464 F465 V470 Q471A464-R467 PolarHBondContact O-N 3.46Å; F465-R467 PolarHBondContact O-N 3.42Å; R467-V470 PolarHBondContact O-N 2.88Å; R467-Q471 PolarHBondContact O-N 3.18Å; R467-Q471 VanDerWaalsContact O-N 3.09Å
468Y94.9Very high93.3Very high21 Ų2166 Ų668%0.08231%0.31CS..Hα-helixtrans-74.3-27.5-179.7-84.2-80.8000112.9E418 C421 Q422 L425 Y456 A464 F465 Q466 Q471 L472E418-Y468 HydrophobicContact CG-CE2 4.41Å; C421-Y468 HydrophobicContact CB-CD1 4.13Å; C421-Y468 HydrophobicContact CB-CD2 3.47Å; C421-Y468 VanDerWaalsContact CB-CD2 3.47Å; C421-Y468 HydrophobicContact CB-CE2 4.05Å; C421-Y468 HydrophobicContact CB-CG 3.53Å; Q422-Y468 HydrophobicContact CG-CE1 3.83Å; Q422-Y468 VanDerWaalsContact CG-OH 3.3Å; Q422-Y468 WeakPolarHBondContact CG-OH 3.48Å; Q422-Y468 PolarHBondContact NE2-OH 2.73Å; L425-Y468 HydrophobicContact CD1-CD1 3.43Å; L425-Y468 VanDerWaalsContact CD1-CD1 3.43Å; L425-Y468 HydrophobicContact CD1-CE1 3.76Å; L425-Y468 HydrophobicContact CD2-CD1 4.47Å; L425-Y468 HydrophobicContact CG-CD1 3.93Å; Y456-Y468 WeakPolarHBondContact OH-CB 3.42Å; A464-Y468 HydrophobicContact CB-CD2 3.93Å; A464-Y468 HydrophobicContact CB-CE2 4.13Å; A464-Y468 WeakPolarHBondContact O-CD2 3.34Å; A464-Y468 PolarHBondContact O-N 3.4Å; F465-Y468 PolarHBondContact O-N 3.12Å; Q466-Y468 VanDerWaalsContact C-N 3.34Å; Q466-Y468 PolarHBondContact O-N 2.97Å; Y468-Q471 PolarHBondContact O-N 2.75Å; Y468-L472 PolarHBondContact O-N 3.16Å
469A94.2Very high93.1Very high12 Ų1264 Ų6410%0.09930%0.3CS..Hα-helixtrans-65.6-41.5171.100000112L453 Y456 F465 Q466 L472 H473L453-A469 HydrophobicContact CD2-CB 4.36Å; Y456-A469 HydrophobicContact CD1-CB 4.26Å; Y456-A469 HydrophobicContact CE1-CB 3.78Å; F465-A469 WeakPolarHBondContact O-CB 3.36Å; F465-A469 PolarHBondContact O-N 3.5Å; Q466-A469 PolarHBondContact O-N 3.01Å; A469-L472 WeakPolarHBondContact O-CB 3.02Å; A469-L472 PolarHBondContact O-N 3.35Å; A469-H473 PolarHBondContact O-N 3.28Å
470V94.1Very high92.9Very high72 Ų7259.9 Ų59.944%0.43628%0.281SS..Hα-helixtrans-64.2-43.5173.8174.60000110.6Q466 R467 L472 H473 E474Q466-V470 WeakPolarHBondContact O-CG2 3.47Å; Q466-V470 PolarHBondContact O-N 3.18Å; R467-V470 PolarHBondContact O-N 2.88Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 2.95Å; V470-H473 WeakPolarHBondContact O-CB 3.46Å; V470-H473 PolarHBondContact O-N 3.46Å; V470-H473 VanDerWaalsContact O-N 3.12Å; V470-E474 PolarHBondContact O-N 2.88Å
471Q95.1Very high92.5Very high74 Ų7462.5 Ų62.535%0.34630%0.299SS..Hα-helixtrans-57.1-45.4174.4-175-177.7-600111.9R467 Y468 H473 E474 D475R467-Q471 PolarHBondContact O-N 3.18Å; R467-Q471 VanDerWaalsContact O-N 3.09Å; Y468-Q471 PolarHBondContact O-N 2.75Å; Q471-H473 VanDerWaalsContact C-N 3.31Å; Q471-H473 PolarHBondContact O-N 2.92Å; Q471-E474 PolarHBondContact O-N 3.34Å; Q471-D475 WeakPolarHBondContact O-CB 3.37Å; Q471-D475 PolarHBondContact O-N 3.47Å
472L95.6Very high92.3Very high0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-58.4-43.4175.7177.363.4000111.6L425 A428 H429 L453 Y456 Y468 A469 V470 D475 C476L425-L472 HydrophobicContact CD2-CB 3.88Å; L425-L472 HydrophobicContact CD2-CD1 4.4Å; A428-L472 HydrophobicContact CB-CD1 3.93Å; A428-L472 HydrophobicContact CB-CD2 3.61Å; A428-L472 HydrophobicContact CB-CG 4.46Å; H429-L472 VanDerWaalsContact CE1-CD1 3.49Å; H429-L472 WeakPolarHBondContact CE1-CD1 3.24Å; L453-L472 HydrophobicContact CD2-CD2 3.96Å; L453-L472 HydrophobicContact CG-CD2 4.44Å; Y456-L472 HydrophobicContact CD2-CD2 4.37Å; Y456-L472 HydrophobicContact CG-CD2 4.04Å; Y468-L472 PolarHBondContact O-N 3.16Å; A469-L472 WeakPolarHBondContact O-CB 3.02Å; A469-L472 PolarHBondContact O-N 3.35Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 2.95Å; L472-D475 PolarHBondContact O-N 3.46Å; L472-C476 WeakPolarHBondContact O-CB 3.48Å; L472-C476 PolarHBondContact O-N 3.27Å; L472-C476 PolarHBondContact O-SG 2.95Å
473H94.3Very high91.6Very high89 Ų8961.7 Ų61.741%0.41231%0.305SS..Hα-helixtrans-60.2-50.3176.8-176.7-66.8000111.9L449 A469 V470 Q471 D475 C476 Y477L449-H473 VanDerWaalsContact CD2-CD2 3.46Å; L449-H473 WeakPolarHBondContact CD2-CD2 3.11Å; A469-H473 PolarHBondContact O-N 3.28Å; V470-H473 WeakPolarHBondContact O-CB 3.46Å; V470-H473 PolarHBondContact O-N 3.46Å; V470-H473 VanDerWaalsContact O-N 3.12Å; Q471-H473 VanDerWaalsContact C-N 3.31Å; Q471-H473 PolarHBondContact O-N 2.92Å; H473-D475 PolarHBondContact O-N 3.27Å; H473-C476 PolarHBondContact O-N 3.48Å; H473-Y477 WeakPolarHBondContact O-CB 3.37Å; H473-Y477 PolarHBondContact O-N 2.71Å
474E95.5Very high91.2Very high95 Ų9563.2 Ų63.244%0.44431%0.31SS..Hα-helixtrans-61.1-43.9178.3-72-175.7-16800112.6V470 Q471 Y477 K478V470-E474 PolarHBondContact O-N 2.88Å; Q471-E474 PolarHBondContact O-N 3.34Å; E474-Y477 PolarHBondContact O-N 3.33Å; E474-K478 WeakPolarHBondContact O-CB 3.41Å; E474-K478 VanDerWaalsContact O-CG 3.27Å; E474-K478 WeakPolarHBondContact O-CG 3.4Å; E474-K478 PolarHBondContact O-N 3.46Å; E474-K478 IonicContact OE2-NZ 3.33Å
475D94.5Very high90.9Very high51 Ų5164.2 Ų64.227%0.27331%0.313SS..Hα-helixtrans-65.6-42.4-179.3-72.5-13000111.1H429 Q471 L472 H473 K478 F479H429-D475 WeakPolarHBondContact CE1-CB 2.97Å; H429-D475 IonicContact CE1-OD2 2.64Å; H429-D475 IonicContact NE2-OD2 3.11Å; H429-D475 PolarHBondContact NE2-OD2 2.87Å; Q471-D475 WeakPolarHBondContact O-CB 3.37Å; Q471-D475 PolarHBondContact O-N 3.47Å; L472-D475 PolarHBondContact O-N 3.46Å; H473-D475 PolarHBondContact O-N 3.27Å; D475-K478 PolarHBondContact O-N 2.93Å; D475-F479 WeakPolarHBondContact O-CB 3.37Å; D475-F479 PolarHBondContact O-N 3.03Å
476C93.8Very high90.5Very high1 Ų164.1 Ų64.11%0.00732%0.315CS..Hα-helixtrans-65.9-37.5174.4-71.40000112.4Y432 L449 L472 H473 F479 W480Y432-C476 HydrophobicContact CD1-CB 4.41Å; Y432-C476 HydrophobicContact CD2-CB 4.03Å; Y432-C476 HydrophobicContact CE1-CB 4.39Å; Y432-C476 HydrophobicContact CE2-CB 3.96Å; Y432-C476 HydrophobicContact CG-CB 4.26Å; Y432-C476 VanDerWaalsContact CG-SG 3.54Å; L449-C476 HydrophobicContact CD1-CB 3.78Å; L472-C476 WeakPolarHBondContact O-CB 3.48Å; L472-C476 PolarHBondContact O-N 3.27Å; L472-C476 PolarHBondContact O-SG 2.95Å; H473-C476 PolarHBondContact O-N 3.48Å; C476-F479 PolarHBondContact O-N 2.88Å; C476-W480 PolarHBondContact O-N 3.35Å
477Y91.7Very high90.2Very high93 Ų9358.7 Ų58.737%0.36529%0.291SS..Hα-helixtrans-65.7-47.1175.5-178.1-92.7000111.4H473 E474 F479 W480 S481H473-Y477 WeakPolarHBondContact O-CB 3.37Å; H473-Y477 PolarHBondContact O-N 2.71Å; E474-Y477 PolarHBondContact O-N 3.33Å; Y477-F479 VanDerWaalsContact C-N 3.26Å; Y477-F479 PolarHBondContact O-N 3.05Å; Y477-W480 AromaticContact CD2-CE3 3.95Å; Y477-W480 HydrophobicContact CD2-CE3 3.95Å; Y477-W480 HydrophobicContact CD2-CZ3 4.16Å; Y477-W480 AromaticContact CE2-CE3 3.96Å; Y477-W480 HydrophobicContact CE2-CE3 3.96Å; Y477-W480 AromaticContact CE2-CZ3 3.76Å; Y477-W480 HydrophobicContact CE2-CZ3 3.76Å; Y477-W480 PolarHBondContact O-N 3.21Å; Y477-W480 VanDerWaalsContact O-N 3.08Å; Y477-S481 PolarHBondContact O-N 2.78Å; Y477-S481 PolarHBondContact O-OG 2.76Å
478K91.9Very high89.8Confident113 Ų11354.4 Ų54.449%0.49128%0.278SS..Hα-helixtrans-58.3-39.6174.3-73167.5-169.7158.20111.5E474 D475 S481 N482E474-K478 WeakPolarHBondContact O-CB 3.41Å; E474-K478 VanDerWaalsContact O-CG 3.27Å; E474-K478 WeakPolarHBondContact O-CG 3.4Å; E474-K478 PolarHBondContact O-N 3.46Å; E474-K478 IonicContact OE2-NZ 3.33Å; D475-K478 PolarHBondContact O-N 2.93Å; K478-S481 PolarHBondContact O-OG 2.93Å; K478-N482 WeakPolarHBondContact O-CB 3.26Å; K478-N482 PolarHBondContact O-N 3.43Å; K478-N482 VanDerWaalsContact O-N 3.1Å
479F90.3Very high89.3Confident66 Ų6658.6 Ų58.629%0.28930%0.299SS..Hα-helixtrans-62.9-43.2174.4-178.1-89.6000111.7Y432 Q433 L436 D475 C476 Y477 H484Y432-F479 HydrophobicContact CD1-CD1 4.33Å; Y432-F479 AromaticContact CE1-CD1 3.7Å; Y432-F479 HydrophobicContact CE1-CD1 3.7Å; Y432-F479 HydrophobicContact CE1-CE1 4.21Å; Q433-F479 HydrophobicContact CG-CE1 4.32Å; Q433-F479 HydrophobicContact CG-CE2 4.35Å; Q433-F479 HydrophobicContact CG-CZ 4.07Å; L436-F479 HydrophobicContact CD1-CE1 4.28Å; D475-F479 WeakPolarHBondContact O-CB 3.37Å; D475-F479 PolarHBondContact O-N 3.03Å; C476-F479 PolarHBondContact O-N 2.88Å; Y477-F479 VanDerWaalsContact C-N 3.26Å; Y477-F479 PolarHBondContact O-N 3.05Å; F479-H484 AromaticContact CZ-NE2 3.88Å; F479-H484 PolarHBondContact O-CD2 3.46Å
480W89.6Confident89Confident9 Ų963 Ų633%0.03431%0.312CS..Hα-helixtrans-70.1-43.9179.7174.152.9000113.3Y440 T442 H445 C476 Y477 N482 H484 Q485Y440-W480 AromaticContact CD2-CD1 3.8Å; Y440-W480 AromaticContact CD2-NE1 3.84Å; Y440-W480 AromaticContact CE2-CD1 3.23Å; Y440-W480 AromaticContact CE2-CG 3.99Å; Y440-W480 HydrophobicContact CE2-CG 3.99Å; Y440-W480 AromaticContact CE2-NE1 3.72Å; Y440-W480 AromaticContact CZ-CD1 3.49Å; Y440-W480 VanDerWaalsContact CZ-CD1 3.49Å; Y440-W480 PolarHBondContact O-NE1 3.05Å; Y440-W480 VanDerWaalsContact O-NE1 3.15Å; T442-W480 VanDerWaalsContact CA-CZ2 3.48Å; T442-W480 HydrophobicContact CG2-CH2 3.78Å; T442-W480 HydrophobicContact CG2-CZ2 4.39Å; T442-W480 HydrophobicContact CG2-CZ3 4.4Å; T442-W480 WeakPolarHBondContact OG1-CH2 3.44Å; T442-W480 WeakPolarHBondContact OG1-CZ2 3.44Å; H445-W480 HydrophobicContact CB-CD2 3.85Å; H445-W480 HydrophobicContact CB-CE3 4.27Å; H445-W480 HydrophobicContact CB-CG 4.06Å; H445-W480 HydrophobicContact CB-CZ2 4.5Å; H445-W480 AromaticContact CD2-CE3 3.68Å; H445-W480 AromaticContact CG-CD2 3.73Å; H445-W480 AromaticContact CG-CE3 3.77Å; H445-W480 AromaticContact CG-CG 3.96Å; H445-W480 AromaticContact ND1-CG 3.88Å; C476-W480 PolarHBondContact O-N 3.35Å; Y477-W480 AromaticContact CD2-CE3 3.95Å; Y477-W480 HydrophobicContact CD2-CE3 3.95Å; Y477-W480 HydrophobicContact CD2-CZ3 4.16Å; Y477-W480 AromaticContact CE2-CE3 3.96Å; Y477-W480 HydrophobicContact CE2-CE3 3.96Å; Y477-W480 AromaticContact CE2-CZ3 3.76Å; Y477-W480 HydrophobicContact CE2-CZ3 3.76Å; Y477-W480 PolarHBondContact O-N 3.21Å; Y477-W480 VanDerWaalsContact O-N 3.08Å; W480-N482 PolarHBondContact O-N 2.92Å; W480-H484 CarbonylContact O-C 3.56Å; W480-H484 WeakPolarHBondContact O-CB 3.18Å; W480-H484 PolarHBondContact O-N 2.99Å; W480-Q485 HydrophobicContact CH2-CG 4.33Å; W480-Q485 HydrophobicContact CZ2-CB 4.44Å; W480-Q485 HydrophobicContact CZ2-CG 3.67Å; W480-Q485 PolarHBondContact O-N 2.68Å
481S85.6Confident88.8Confident54 Ų5459.5 Ų59.538%0.37829%0.292SS..Hα-helixtrans-69.7-20.7178.964.10000112.9Y477 K478 G483Y477-S481 PolarHBondContact O-N 2.78Å; Y477-S481 PolarHBondContact O-OG 2.76Å; K478-S481 PolarHBondContact O-OG 2.93Å; S481-G483 PolarHBondContact O-N 3.31Å
482N85.2Confident88.4Confident118 Ų11856.4 Ų56.463%0.63128%0.277SS*.THydrogen-bonded Turntrans-78.365.9176.3-168.919.9000112.5K478 W480 H484K478-N482 WeakPolarHBondContact O-CB 3.26Å; K478-N482 PolarHBondContact O-N 3.43Å; K478-N482 VanDerWaalsContact O-N 3.1Å; W480-N482 PolarHBondContact O-N 2.92Å; N482-H484 VanDerWaalsContact C-N 3.3Å; N482-H484 PolarHBondContact O-CD2 2.97Å; N482-H484 VanDerWaalsContact O-CD2 3.3Å; N482-H484 PolarHBondContact O-N 3.42Å
483G76.8Confident87.9Confident39 Ų3958.2 Ų58.240%0.40229%0.288SS..THydrogen-bonded Turntrans78.74.8170.300000116.1N439 S481N439-G483 PolarHBondContact ND2-O 3.26Å; S481-G483 PolarHBondContact O-N 3.31Å
484H82.2Confident87.5Confident52 Ų5255.6 Ų55.624%0.24128%0.278CS..THydrogen-bonded Turntrans-98-4.9175.1-68.3-77.6000113.4H438 N439 Y440 F479 W480 N482H438-H484 PolarHBondContact O-ND1 3.48Å; N439-H484 CarbonylContact C-O 3.55Å; N439-H484 WeakPolarHBondContact CA-O 3.42Å; Y440-H484 HydrophobicContact CE1-CB 4Å; Y440-H484 PolarHBondContact N-O 3.15Å; F479-H484 AromaticContact CZ-NE2 3.88Å; F479-H484 PolarHBondContact O-CD2 3.46Å; W480-H484 CarbonylContact O-C 3.56Å; W480-H484 WeakPolarHBondContact O-CB 3.18Å; W480-H484 PolarHBondContact O-N 2.99Å; N482-H484 VanDerWaalsContact C-N 3.3Å; N482-H484 PolarHBondContact O-CD2 2.97Å; N482-H484 VanDerWaalsContact O-CD2 3.3Å; N482-H484 PolarHBondContact O-N 3.42Å
485Q85.2Confident87Confident33 Ų3355 Ų5515%0.15427%0.274CS..BIsolated β-bridgetrans-79.4135.3179-169175.49.600112.1W480 F501W480-Q485 HydrophobicContact CH2-CG 4.33Å; W480-Q485 HydrophobicContact CZ2-CB 4.44Å; W480-Q485 HydrophobicContact CZ2-CG 3.67Å; W480-Q485 PolarHBondContact O-N 2.68Å; Q485-F501 HydrophobicContact CB-CB 3.85Å; Q485-F501 HydrophobicContact CG-CB 3.87Å; Q485-F501 HydrophobicContact CG-CD2 4.35Å; Q485-F501 HydrophobicContact CG-CG 4.29Å; Q485-F501 PolarHBondContact O-N 2.9Å
486L84.8Confident86.5Confident56 Ų5657.1 Ų57.129%0.29328%0.283SS..BIsolated β-bridgetrans-91.1148.9168.2-74.9173000111N439 Y440 T441 E488N439-L486 HydrophobicContact CB-CD1 4.39Å; N439-L486 HydrophobicContact CB-CD2 3.43Å; N439-L486 VanDerWaalsContact CB-CD2 3.43Å; N439-L486 HydrophobicContact CB-CG 3.64Å; N439-L486 WeakPolarHBondContact O-CD1 3.36Å; Y440-L486 PolarHBondContact O-N 3.44Å; T441-L486 HydrophobicContact CG2-CD1 4.48Å; L486-E488 PolarHBondContact O-N 3.48Å
487C85.3Confident86.3Confident11 Ų1157.5 Ų57.57%0.07429%0.285CS..PPolyproline II helixtrans-70.1123.1165.7-175.80000109C497 H499 H522C487-C497 HydrophobicContact CB-CB 3.94Å; C487-H499 VanDerWaalsContact CB-O 3.3Å; C487-H499 WeakPolarHBondContact CB-O 3.31Å; C487-H499 PolarHBondContact N-O 3.44Å; C487-H522 VanDerWaalsContact SG-CE1 3.52Å; C487-H522 PolarHBondContact SG-ND1 3.09Å
488E84.9Confident85.9Confident83 Ų8356 Ų5639%0.38829%0.286SS..  trans-94.1-1.5-178.7-67.9-179-165.700113.2T441 T442 L486T441-E488 VanDerWaalsContact CA-OE1 3.3Å; T441-E488 WeakPolarHBondContact CA-OE1 3.38Å; T441-E488 WeakPolarHBondContact CB-OE1 3.24Å; T441-E488 HydrophobicContact CG2-CG 4.03Å; T442-E488 VanDerWaalsContact CB-OE1 3.31Å; T442-E488 WeakPolarHBondContact CB-OE1 3.49Å; T442-E488 PolarHBondContact N-OE1 3.24Å; T442-E488 PolarHBondContact OG1-OE1 2.9Å; L486-E488 PolarHBondContact O-N 3.48Å
489E84.8Confident85.5Confident110 Ų11053 Ų5351%0.51427%0.273SS..  trans-64.1142.1-178.6-70.9-61.2153.800111.9C497 H522E489-C497 PolarHBondContact O-N 2.78Å; E489-H522 VanDerWaalsContact CG-CE1 3.48Å; E489-H522 WeakPolarHBondContact CG-CE1 3.38Å
490R87.8Confident85.2Confident103 Ų10355.3 Ų55.339%0.38928%0.283SS..BIsolated β-bridgetrans-115139-179.6-63.3-169.3-179.9174.97.1110.6D494 Q495 H496 F545R490-D494 VanDerWaalsContact CD-OD1 3.23Å; R490-D494 WeakPolarHBondContact CD-OD1 3.44Å; R490-D494 IonicContact CZ-OD1 3.97Å; R490-D494 IonicContact NE-OD1 2.72Å; R490-D494 IonicContact NH1-OD1 2.69Å; R490-D494 PolarHBondContact NH1-OD1 3.35Å; R490-Q495 CarbonylContact C-O 3.59Å; R490-Q495 WeakPolarHBondContact CA-O 3.27Å; R490-H496 PolarHBondContact NE-CE1 3.38Å; R490-H496 PolarHBondContact NE-NE2 3.39Å; R490-H496 PolarHBondContact NH2-NE2 3.26Å; R490-F545 VanDerWaalsContact C-CE1 3.46Å
491S89.6Confident84.8Confident0 Ų059.1 Ų59.10%030%0.3CS..  trans-65.9164.6171.171.50000110.7T493 D494 Q495 D543 F890S491-T493 PolarHBondContact O-N 2.73Å; S491-T493 PolarHBondContact OG-N 2.98Å; S491-T493 PolarHBondContact OG-OG1 3.49Å; S491-D494 PolarHBondContact O-N 2.8Å; S491-Q495 PolarHBondContact N-O 2.75Å; S491-Q495 WeakPolarHBondContact OG-CB 3.14Å; S491-Q495 PolarHBondContact OG-N 3.45Å; S491-Q495 VanDerWaalsContact OG-N 3.09Å; S491-Q495 PolarHBondContact OG-O 2.87Å; S491-D543 VanDerWaalsContact CB-CG 3.43Å; S491-D543 WeakPolarHBondContact CB-OD2 3.22Å; S491-D543 VanDerWaalsContact OG-CG 3.24Å; S491-D543 PolarHBondContact OG-OD1 3.18Å; S491-D543 PolarHBondContact OG-OD2 2.86Å; S491-F890 WeakPolarHBondContact O-CE1 3.22Å
492L87.8Confident84.7Confident9 Ų957 Ų575%0.04728%0.284CS..THydrogen-bonded Turntrans-64.9-9.6176.2-61.3173.8000113P544 D546 I547 A550 P888 P891L492-P544 HydrophobicContact CB-CG 4.47Å; L492-P544 WeakPolarHBondContact CB-O 3.43Å; L492-P544 HydrophobicContact CD1-CB 4.23Å; L492-P544 HydrophobicContact CD1-CG 4.2Å; L492-P544 WeakPolarHBondContact CG-O 3.48Å; L492-P544 PolarHBondContact N-O 2.93Å; L492-D546 WeakPolarHBondContact CD1-O 3.44Å; L492-I547 HydrophobicContact CD1-CD1 3.77Å; L492-I547 HydrophobicContact CD1-CG1 4.3Å; L492-I547 HydrophobicContact CD2-CD1 3.95Å; L492-I547 HydrophobicContact CD2-CG1 4.43Å; L492-A550 HydrophobicContact CD1-CB 3.62Å; L492-P888 HydrophobicContact CD2-CB 3.42Å; L492-P888 VanDerWaalsContact CD2-CB 3.42Å; L492-P888 HydrophobicContact CD2-CG 3.91Å; L492-P891 WeakPolarHBondContact O-CD 3.42Å
493T84.6Confident84.6Confident37 Ų3754.3 Ų54.323%0.22727%0.27CS..THydrogen-bonded Turntrans-99.913.8171.370.60000113.8S491 Q495 D543 Y880S491-T493 PolarHBondContact O-N 2.73Å; S491-T493 PolarHBondContact OG-N 2.98Å; S491-T493 PolarHBondContact OG-OG1 3.49Å; T493-Q495 PolarHBondContact OG1-NE2 2.86Å; T493-Q495 VanDerWaalsContact OG1-NE2 3.11Å; T493-D543 WeakPolarHBondContact CB-OD1 3.44Å; T493-D543 WeakPolarHBondContact CG2-OD1 3.3Å; T493-D543 PolarHBondContact OG1-OD1 3.46Å; T493-D543 PolarHBondContact OG1-OD2 2.94Å; T493-D543 VanDerWaalsContact OG1-OD2 3.04Å; T493-Y880 HydrophobicContact CG2-CE1 4.48Å
494D86.3Confident84.8Confident35 Ų3556.6 Ų56.619%0.18727%0.272CS..SBendtrans65.534.3-179.4-163.836.3000113.8R490 S491 F890 K893R490-D494 VanDerWaalsContact CD-OD1 3.23Å; R490-D494 WeakPolarHBondContact CD-OD1 3.44Å; R490-D494 IonicContact CZ-OD1 3.97Å; R490-D494 IonicContact NE-OD1 2.72Å; R490-D494 IonicContact NH1-OD1 2.69Å; R490-D494 PolarHBondContact NH1-OD1 3.35Å; S491-D494 PolarHBondContact O-N 2.8Å; D494-F890 HydrophobicContact CB-CB 4.45Å; D494-F890 HydrophobicContact CB-CD1 3.78Å; D494-F890 HydrophobicContact CB-CE1 4.26Å; D494-F890 HydrophobicContact CB-CG 4.16Å; D494-K893 WeakPolarHBondContact OD2-CE 3.22Å; D494-K893 IonicContact OD2-NZ 2.81Å; D494-K893 PolarHBondContact OD2-NZ 2.87Å
495Q84.4Confident84.8Confident81 Ų8155.4 Ų55.438%0.37927%0.269SS..  trans-106.8137.4173.5-58.1-18046.400111.1R490 S491 T493R490-Q495 CarbonylContact C-O 3.59Å; R490-Q495 WeakPolarHBondContact CA-O 3.27Å; S491-Q495 PolarHBondContact N-O 2.75Å; S491-Q495 WeakPolarHBondContact OG-CB 3.14Å; S491-Q495 PolarHBondContact OG-N 3.45Å; S491-Q495 VanDerWaalsContact OG-N 3.09Å; S491-Q495 PolarHBondContact OG-O 2.87Å; T493-Q495 PolarHBondContact OG1-NE2 2.86Å; T493-Q495 VanDerWaalsContact OG1-NE2 3.11Å
496H84.9Confident84.3Confident96 Ų9660.5 Ų60.544%0.44429%0.293SS..BIsolated β-bridgetrans-75.2149.3-178.4-65.177.3000111.6R490R490-H496 PolarHBondContact NE-CE1 3.38Å; R490-H496 PolarHBondContact NE-NE2 3.39Å; R490-H496 PolarHBondContact NH2-NE2 3.26Å
497C87.8Confident83.3Confident10 Ų1064.6 Ų64.67%0.06832%0.323CS..  trans-59.8137.7166.9-171.70000110.6C487 E489 H502 H522 N523 F545C487-C497 HydrophobicContact CB-CB 3.94Å; E489-C497 PolarHBondContact O-N 2.78Å; C497-H502 PolarHBondContact SG-NE2 3.26Å; C497-H522 HydrophobicContact CB-CB 4.5Å; C497-N523 CarbonylContact C-O 3.55Å; C497-N523 WeakPolarHBondContact CA-O 3.35Å; C497-F545 HydrophobicContact CB-CE1 4.14Å; C497-F545 HydrophobicContact CB-CZ 4.27Å
498V84.6Confident82.1Confident62 Ų6268.2 Ų68.238%0.37636%0.362SS..  trans-86.8-9.4179.5-55.60000113.3N523 R525V498-N523 WeakPolarHBondContact CG2-O 3.4Å; V498-N523 PolarHBondContact N-O 3.41Å; V498-R525 HydrophobicContact CG1-CG 4.03Å; V498-R525 HydrophobicContact CG2-CG 4.1Å
499H83.4Confident81.6Confident49 Ų4968.9 Ų68.923%0.22737%0.365CS..SBendtrans-84.9156.4-176.1-66.1-61.6000111.6C487 M520 N523C487-H499 VanDerWaalsContact CB-O 3.3Å; C487-H499 WeakPolarHBondContact CB-O 3.31Å; C487-H499 PolarHBondContact N-O 3.44Å; H499-M520 HydrophobicContact CB-SD 4.23Å; H499-M520 WeakPolarHBondContact CE1-CE 2.97Å; H499-N523 WeakPolarHBondContact NE2-CB 3.48Å
500K82.8Confident81Confident114 Ų11472 Ų7250%0.49638%0.378SS..BIsolated β-bridgetrans-63171.4165.4-61.1-174.8179.9-171.50109.2N439 H502N439-K500 WeakPolarHBondContact ND2-CD 3.41Å; N439-K500 VanDerWaalsContact OD1-CE 3.27Å; N439-K500 WeakPolarHBondContact OD1-CE 3.31Å; K500-H502 PolarHBondContact O-CD2 3.22Å; K500-H502 PolarHBondContact O-N 3.19Å; K500-H502 VanDerWaalsContact O-N 3.13Å
501F82.2Confident80.4Confident89 Ų8971 Ų7139%0.3938%0.384SS..SBendtrans-48.7126172.5-176.2-103.3000111Q485 P517Q485-F501 HydrophobicContact CB-CB 3.85Å; Q485-F501 HydrophobicContact CG-CB 3.87Å; Q485-F501 HydrophobicContact CG-CD2 4.35Å; Q485-F501 HydrophobicContact CG-CG 4.29Å; Q485-F501 PolarHBondContact O-N 2.9Å; F501-P517 HydrophobicContact CD1-CB 3.87Å; F501-P517 HydrophobicContact CD1-CG 4.03Å; F501-P517 HydrophobicContact CE1-CB 4.27Å; F501-P517 HydrophobicContact CE1-CG 3.91Å
502H83.4Confident79.9Confident9 Ų974.2 Ų74.24%0.04240%0.401CS..  trans-147.4154.4-17271.785.7000109C497 K500 P518 M520 H522C497-H502 PolarHBondContact SG-NE2 3.26Å; K500-H502 PolarHBondContact O-CD2 3.22Å; K500-H502 PolarHBondContact O-N 3.19Å; K500-H502 VanDerWaalsContact O-N 3.13Å; H502-P518 CarbonylContact C-O 3.51Å; H502-P518 WeakPolarHBondContact CA-O 3.41Å; H502-P518 HydrophobicContact CB-CG 4.02Å; H502-P518 VanDerWaalsContact CB-O 3.22Å; H502-P518 WeakPolarHBondContact CB-O 3.48Å; H502-M520 HydrophobicContact CB-CG 3.94Å; H502-M520 HydrophobicContact CB-SD 4.48Å; H502-M520 PolarHBondContact CE1-O 2.81Å; H502-M520 PolarHBondContact ND1-O 2.8Å; H502-H522 AromaticContact CE1-CE1 3.44Å; H502-H522 PolarHBondContact CE1-CE1 3.31Å; H502-H522 VanDerWaalsContact CE1-CE1 3.44Å; H502-H522 AromaticContact CE1-CG 3.83Å; H502-H522 AromaticContact CE1-ND1 3.05Å; H502-H522 PolarHBondContact CE1-ND1 2.85Å; H502-H522 AromaticContact NE2-CE1 3.61Å; H502-H522 AromaticContact NE2-CG 3.97Å; H502-H522 AromaticContact NE2-ND1 2.97Å; H502-H522 PolarHBondContact NE2-ND1 3.1Å
503L82.5Confident79.2Confident63 Ų6379.2 Ų79.233%0.3343%0.427SS..BIsolated β-bridgetrans-94.8154.5175.7-63.9172.1000110.1P517 P518 I519 M520L503-P517 HydrophobicContact CD1-CG 3.99Å; L503-P517 HydrophobicContact CG-CG 3.89Å; L503-P518 PolarHBondContact N-O 3.5Å; L503-I519 HydrophobicContact CB-CG1 4.22Å; L503-I519 CarbonylContact O-C 3.57Å; L503-I519 WeakPolarHBondContact O-CA 3.43Å; L503-M520 PolarHBondContact O-N 3.15Å
504L81.8Confident78.7Confident86 Ų8685 Ų8545%0.4546%0.457SS..PPolyproline II helixtrans-86.1139.5172.5-67.8175.5000109.9
505P81.7Confident78.1Confident28 Ų2887.3 Ų87.318%0.18247%0.466CS..PPolyproline II helixtrans-65.4140.6175.526.2-31.9000111I519 N521P505-I519 HydrophobicContact CB-CG2 3.84Å; P505-N521 VanDerWaalsContact CD-OD1 3.22Å; P505-N521 WeakPolarHBondContact CD-OD1 3.28Å; P505-N521 WeakPolarHBondContact CG-OD1 3.49Å
506Q74.3Confident77.6Confident140 Ų14090 Ų9065%0.65448%0.483SS*.PPolyproline II helixtrans-70.9157.7173.3-64-173.926.400111.1G508 E509Q506-G508 PolarHBondContact O-N 3.21Å; Q506-E509 HydrophobicContact CB-CB 4.31Å; Q506-E509 WeakPolarHBondContact O-CB 3.39Å; Q506-E509 PolarHBondContact O-N 2.97Å
507P64.8Low77Confident141 Ų14187 Ų8792%0.91647%0.473SS*.THydrogen-bonded Turntrans-55.8110.9178.7-2332.8000111.8
508G60.5Low76.7Confident88 Ų8888.1 Ų88.191%0.90748%0.48SS*.THydrogen-bonded Turntrans97.9-5.4-178.800000115.6Q506Q506-G508 PolarHBondContact O-N 3.21Å
509E73.3Confident76.7Confident96 Ų9686 Ų8645%0.44947%0.466SS..PPolyproline II helixtrans-88.5141.7175.4-162.5172.4-162.300110.9Q506Q506-E509 HydrophobicContact CB-CB 4.31Å; Q506-E509 WeakPolarHBondContact O-CB 3.39Å; Q506-E509 PolarHBondContact O-N 2.97Å
510K71.9Confident76.7Confident177 Ų17785.2 Ų85.277%0.7746%0.463SS*.PPolyproline II helixtrans-83.4149.2176.5-70.7-178.3-178.6174.60109.9D512K510-D512 PolarHBondContact O-N 3.49Å
511P76.3Confident76.8Confident81 Ų8184.5 Ų84.553%0.52647%0.465SS..PPolyproline II helixtrans-55.9129.5172.3-21.331.7000110.9I519P511-I519 CarbonylContact C-O 3.51Å; P511-I519 WeakPolarHBondContact CA-O 3.34Å; P511-I519 WeakPolarHBondContact CB-O 3.43Å
512D78.6Confident77.1Confident68 Ų6881.9 Ų81.936%0.36445%0.454SS..BIsolated β-bridgetrans-115.7105.9176.2-174.6-1.7000109.2K510 D514 H515 I519K510-D512 PolarHBondContact O-N 3.49Å; D512-D514 VanDerWaalsContact C-N 3.33Å; D512-D514 PolarHBondContact OD1-N 2.98Å; D512-H515 HydrophobicContact CB-CB 4.35Å; D512-H515 PolarHBondContact OD1-N 3.29Å; D512-I519 HydrophobicContact CB-CB 4.36Å; D512-I519 HydrophobicContact CB-CD1 4.4Å; D512-I519 PolarHBondContact N-O 2.85Å; D512-I519 VanDerWaalsContact N-O 3.09Å; D512-I519 PolarHBondContact O-N 3.45Å
513L73.6Confident77.3Confident113 Ų11384.8 Ų84.859%0.59247%0.469SS*.SBendtrans-80.5-17-178-63.5172.3000112.7M520L513-M520 HydrophobicContact CD2-CE 3.83Å; L513-M520 HydrophobicContact CD2-SD 4.26Å
514D73.8Confident77.5Confident159 Ų15982.4 Ų82.485%0.8546%0.458SS*.SBendtrans-91.1-10.2-177.6-65.3-31.8000111.9D512D512-D514 VanDerWaalsContact C-N 3.33Å; D512-D514 PolarHBondContact OD1-N 2.98Å
515H73.6Confident77.7Confident83 Ų8387.9 Ų87.938%0.38447%0.473SS..SBendtrans-64.3147.4169-16461.2000111.3D512 P517 P518 I519D512-H515 HydrophobicContact CB-CB 4.35Å; D512-H515 PolarHBondContact OD1-N 3.29Å; H515-P517 CarbonylContact C-O 3.56Å; H515-P517 PolarHBondContact CD2-O 3.21Å; H515-P517 CarbonylContact O-C 3.56Å; H515-P518 WeakPolarHBondContact O-CA 3.38Å; H515-I519 HydrophobicContact CB-CD1 4.3Å; H515-I519 HydrophobicContact CB-CG1 4.04Å
516N72.8Confident77.9Confident138 Ų13887.2 Ų87.274%0.73847%0.471SS*.SBendtrans-125.2102177.7-171.621.7000110.2
517P73.2Confident78.5Confident34 Ų3490.3 Ų90.322%0.22148%0.476CS..SBendcis-74.11566.232.1-38.2000113.9F501 L503 H515F501-P517 HydrophobicContact CD1-CB 3.87Å; F501-P517 HydrophobicContact CD1-CG 4.03Å; F501-P517 HydrophobicContact CE1-CB 4.27Å; F501-P517 HydrophobicContact CE1-CG 3.91Å; L503-P517 HydrophobicContact CD1-CG 3.99Å; L503-P517 HydrophobicContact CG-CG 3.89Å; H515-P517 CarbonylContact C-O 3.56Å; H515-P517 PolarHBondContact CD2-O 3.21Å; H515-P517 CarbonylContact O-C 3.56Å
518P81.3Confident79.6Confident33 Ų3384.3 Ų84.321%0.21444%0.438CS..  trans-63.5148.1-176.924.3-33.5000112.4H502 L503 H515H502-P518 CarbonylContact C-O 3.51Å; H502-P518 WeakPolarHBondContact CA-O 3.41Å; H502-P518 HydrophobicContact CB-CG 4.02Å; H502-P518 VanDerWaalsContact CB-O 3.22Å; H502-P518 WeakPolarHBondContact CB-O 3.48Å; L503-P518 PolarHBondContact N-O 3.5Å; H515-P518 WeakPolarHBondContact O-CA 3.38Å
519I84.1Confident81.1Confident16 Ų1682.4 Ų82.48%0.08241%0.409CS..BIsolated β-bridgetrans-99.6108.3175.2-55.2178.5000108.8L503 P505 P511 D512 H515L503-I519 HydrophobicContact CB-CG1 4.22Å; L503-I519 CarbonylContact O-C 3.57Å; L503-I519 WeakPolarHBondContact O-CA 3.43Å; P505-I519 HydrophobicContact CB-CG2 3.84Å; P511-I519 CarbonylContact C-O 3.51Å; P511-I519 WeakPolarHBondContact CA-O 3.34Å; P511-I519 WeakPolarHBondContact CB-O 3.43Å; D512-I519 HydrophobicContact CB-CB 4.36Å; D512-I519 HydrophobicContact CB-CD1 4.4Å; D512-I519 PolarHBondContact N-O 2.85Å; D512-I519 VanDerWaalsContact N-O 3.09Å; D512-I519 PolarHBondContact O-N 3.45Å; H515-I519 HydrophobicContact CB-CD1 4.3Å; H515-I519 HydrophobicContact CB-CG1 4.04Å
520M84.6Confident82Confident33 Ų3378.2 Ų78.216%0.16339%0.39CS..  trans-156.8158.9-179.565.3-166.4-42.700112.4H499 H502 L503 L513H499-M520 HydrophobicContact CB-SD 4.23Å; H499-M520 WeakPolarHBondContact CE1-CE 2.97Å; H502-M520 HydrophobicContact CB-CG 3.94Å; H502-M520 HydrophobicContact CB-SD 4.48Å; H502-M520 PolarHBondContact CE1-O 2.81Å; H502-M520 PolarHBondContact ND1-O 2.8Å; L503-M520 PolarHBondContact O-N 3.15Å; L513-M520 HydrophobicContact CD2-CE 3.83Å; L513-M520 HydrophobicContact CD2-SD 4.26Å
521N85.2Confident83Confident100 Ų10069.8 Ų69.854%0.53535%0.354SS..  trans-73.4150.3173.8-67.4-23.9000111P505P505-N521 VanDerWaalsContact CD-OD1 3.22Å; P505-N521 WeakPolarHBondContact CD-OD1 3.28Å; P505-N521 WeakPolarHBondContact CG-OD1 3.49Å
522H87.1Confident83.8Confident34 Ų3466 Ų6616%0.15733%0.329CS..  trans-60.1149.1173.1-63-56.6000111.7C487 E489 C497 H502 F545C487-H522 VanDerWaalsContact SG-CE1 3.52Å; C487-H522 PolarHBondContact SG-ND1 3.09Å; E489-H522 VanDerWaalsContact CG-CE1 3.48Å; E489-H522 WeakPolarHBondContact CG-CE1 3.38Å; C497-H522 HydrophobicContact CB-CB 4.5Å; H502-H522 AromaticContact CE1-CE1 3.44Å; H502-H522 PolarHBondContact CE1-CE1 3.31Å; H502-H522 VanDerWaalsContact CE1-CE1 3.44Å; H502-H522 AromaticContact CE1-CG 3.83Å; H502-H522 AromaticContact CE1-ND1 3.05Å; H502-H522 PolarHBondContact CE1-ND1 2.85Å; H502-H522 AromaticContact NE2-CE1 3.61Å; H502-H522 AromaticContact NE2-CG 3.97Å; H502-H522 AromaticContact NE2-ND1 2.97Å; H502-H522 PolarHBondContact NE2-ND1 3.1Å; H522-F545 HydrophobicContact CB-CB 4.04Å; H522-F545 HydrophobicContact CB-CD1 3.33Å; H522-F545 HydrophobicContact CB-CD2 3.55Å; H522-F545 HydrophobicContact CB-CE1 3.53Å; H522-F545 HydrophobicContact CB-CE2 3.76Å; H522-F545 HydrophobicContact CB-CG 3.34Å; H522-F545 HydrophobicContact CB-CZ 3.75Å; H522-F545 AromaticContact CD2-CD1 3.95Å; H522-F545 AromaticContact CG-CD1 3.74Å
523N87.9Confident84.5Confident70 Ų7063.1 Ų63.137%0.37431%0.313SS..  trans-151124.3-178.9-166.4-24.6000110.1C497 V498 H499 R525C497-N523 CarbonylContact C-O 3.55Å; C497-N523 WeakPolarHBondContact CA-O 3.35Å; V498-N523 WeakPolarHBondContact CG2-O 3.4Å; V498-N523 PolarHBondContact N-O 3.41Å; H499-N523 WeakPolarHBondContact NE2-CB 3.48Å; N523-R525 WeakPolarHBondContact OD1-CA 3.43Å; N523-R525 PolarHBondContact OD1-N 3.44Å
524S87.7Confident85.3Confident13 Ų1357.7 Ų57.79%0.09129%0.285CS..  trans-96.2-517464.20000112.9G526 D543S524-G526 PolarHBondContact O-N 2.87Å; S524-G526 PolarHBondContact OG-N 3.02Å; S524-D543 WeakPolarHBondContact CB-OD2 3.35Å; S524-D543 WeakPolarHBondContact OG-CB 3.18Å; S524-D543 VanDerWaalsContact OG-CG 3.31Å; S524-D543 PolarHBondContact OG-OD2 3.36Å
525R86.5Confident86.2Confident201 Ų20150.1 Ų50.176%0.75825%0.245SC*.  trans61.55.8-165.1-56.2177.3177.6-177.6-0.1114.2V498 N523V498-R525 HydrophobicContact CG1-CG 4.03Å; V498-R525 HydrophobicContact CG2-CG 4.1Å; N523-R525 WeakPolarHBondContact OD1-CA 3.43Å; N523-R525 PolarHBondContact OD1-N 3.44Å
526G84.1Confident87Confident14 Ų1451.8 Ų51.814%0.14425%0.247CC..  trans-69.5133.117400000111.5S524 D543S524-G526 PolarHBondContact O-N 2.87Å; S524-G526 PolarHBondContact OG-N 3.02Å; G526-D543 WeakPolarHBondContact O-CB 3.44Å; G526-D543 PolarHBondContact O-N 3.21Å
527R86.9Confident88Confident204 Ų20450 Ų5077%0.7723%0.233SC*.EExtended strand (participates in β ladder)trans-131.5135.5172.7-71.8-175.4174.4163.15.3110.4R541 D542R527-R541 WeakPolarHBondContact CA-O 3.46Å; R527-D542 WeakPolarHBondContact CG-OD1 3.34Å; R527-D542 IonicContact NE-OD1 2.63Å; R527-D542 PolarHBondContact NE-OD1 3.27Å; R527-D542 VanDerWaalsContact NE-OD1 3.11Å
528S88.8Confident88.9Confident15 Ų1551.5 Ų51.511%0.10524%0.237CC..EExtended strand (participates in β ladder)trans-123.6168.6174.4620000110.3P540 R541 G775S528-P540 CarbonylContact O-C 3.54Å; S528-P540 WeakPolarHBondContact O-CA 3.3Å; S528-R541 PolarHBondContact N-O 2.86Å; S528-R541 PolarHBondContact O-N 3.46Å; S528-R541 PolarHBondContact OG-O 3.19Å; S528-G775 CarbonylContact C-O 3.51Å; S528-G775 VanDerWaalsContact CA-O 3.27Å; S528-G775 WeakPolarHBondContact CA-O 3.41Å; S528-G775 WeakPolarHBondContact CB-O 3.49Å
529T91.8Very high89.5Confident48 Ų4850.9 Ų50.929%0.29424%0.235SC..EExtended strand (participates in β ladder)trans-112.5130.6168.8-59.90000108.2Q538 G775 G777T529-Q538 HydrophobicContact CG2-CB 4.06Å; T529-G775 PolarHBondContact N-O 3.2Å; T529-G777 PolarHBondContact O-N 2.83Å
530S91.9Very high89.8Confident9 Ų955 Ų556%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-134.2144.2179.2-57.40000111.5A539 E773S530-A539 PolarHBondContact N-O 3.42Å; S530-A539 PolarHBondContact O-N 3.2Å; S530-E773 VanDerWaalsContact CA-OE1 3.22Å; S530-E773 WeakPolarHBondContact CA-OE1 3.47Å
531A93.9Very high90.1Very high0 Ų053.8 Ų53.80%026%0.256CS..EExtended strand (participates in β ladder)trans-85.1153.8174.200000112.9K537 Q538 E773 R831A531-K537 CarbonylContact C-O 3.49Å; A531-K537 WeakPolarHBondContact CA-O 3.26Å; A531-Q538 HydrophobicContact CB-CG 3.71Å; A531-E773 PolarHBondContact N-OE1 3.03Å; A531-R831 PolarHBondContact O-NH2 3.1Å
532C93.4Very high90.3Very high0 Ų053.9 Ų53.90%026%0.257CS..  trans-65.6176.3178.1660000113.1C534 G535 K537 L558 R831C532-C534 PolarHBondContact O-N 3.23Å; C532-C534 PolarHBondContact SG-SG 3.25Å; C532-G535 PolarHBondContact O-N 2.95Å; C532-K537 PolarHBondContact N-O 3.19Å; C532-K537 PolarHBondContact SG-N 3.08Å; C532-L558 HydrophobicContact CB-CB 3.97Å; C532-L558 HydrophobicContact CB-CD1 3.98Å; C532-R831 PolarHBondContact O-NE 3.47Å; C532-R831 PolarHBondContact O-NH2 3.41Å
533N92.6Very high90.4Very high8 Ų853 Ų534%0.04325%0.254CS..THydrogen-bonded Turntrans-51.6-41.5-179.6-70.3-37.6000112.8Y555 L684 R877N533-Y555 VanDerWaalsContact OD1-CD1 3.32Å; N533-Y555 WeakPolarHBondContact OD1-CD1 3.22Å; N533-L684 HydrophobicContact CB-CD1 3.52Å; N533-R877 PolarHBondContact OD1-NE 3.14Å; N533-R877 PolarHBondContact OD1-NH2 2.95Å
534C90.9Very high90.5Very high0 Ų050.1 Ų50.10%024%0.238CC..THydrogen-bonded Turntrans-87.5-10.2-179.274.70000115C532 R536 C563 L566 L684 L686 Q700C532-C534 PolarHBondContact O-N 3.23Å; C532-C534 PolarHBondContact SG-SG 3.25Å; C534-R536 PolarHBondContact O-N 3.28Å; C534-C563 PolarHBondContact SG-SG 3.39Å; C534-L566 HydrophobicContact CB-CD1 3.72Å; C534-L684 HydrophobicContact CB-CD1 4.13Å; C534-L686 HydrophobicContact CB-CD2 3.58Å; C534-Q700 PolarHBondContact O-NE2 2.92Å
535G91.3Very high90.6Very high0 Ų050.8 Ų50.80%024%0.24CC..SBendtrans80.9-0.2-177.800000116.2C532 Q700 R779C532-G535 PolarHBondContact O-N 2.95Å; G535-Q700 PolarHBondContact O-OE1 2.97Å; G535-R779 PolarHBondContact O-NH1 2.72Å
536R91.8Very high90.7Very high117 Ų11745.6 Ų45.644%0.44223%0.227SC..SBendtrans-80.5-19.5-175.8-66.2-179.5-178.7164.14115C534 L686 Q700 P701C534-R536 PolarHBondContact O-N 3.28Å; R536-L686 PolarHBondContact NH2-O 3.15Å; R536-Q700 HydrophobicContact CG-CG 4.35Å; R536-P701 WeakPolarHBondContact O-CD 3.37Å
537K92.1Very high90.9Very high101 Ų10146.4 Ų46.444%0.43923%0.228SC..  trans-131.6145.8177.9-69.5-166-174.6-179.10111.4A531 C532 K561 C562A531-K537 CarbonylContact C-O 3.49Å; A531-K537 WeakPolarHBondContact CA-O 3.26Å; C532-K537 PolarHBondContact N-O 3.19Å; C532-K537 PolarHBondContact SG-N 3.08Å; K537-K561 WeakPolarHBondContact CE-O 3.32Å; K537-K561 PolarHBondContact NZ-O 2.94Å; K537-C562 HydrophobicContact CB-CB 4.46Å; K537-C562 HydrophobicContact CD-CB 3.9Å; K537-C562 HydrophobicContact CG-CB 4.13Å
538Q93.1Very high90.9Very high65 Ų6541.1 Ų41.130%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-115.3144.8173.7-74.8-178.9-43.600110.8T529 A531 P701 G777T529-Q538 HydrophobicContact CG2-CB 4.06Å; A531-Q538 HydrophobicContact CB-CG 3.71Å; Q538-P701 HydrophobicContact CG-CG 4.35Å; Q538-G777 PolarHBondContact NE2-O 3.13Å
539A93Very high90.9Very high20 Ų2042.1 Ų42.117%0.16522%0.221CC..EExtended strand (participates in β ladder)trans-143.4154.3176.400000110.9S530 F554 L558S530-A539 PolarHBondContact N-O 3.42Å; S530-A539 PolarHBondContact O-N 3.2Å; A539-F554 HydrophobicContact CB-CE2 4.39Å; A539-F554 HydrophobicContact CB-CZ 4.38Å; A539-L558 HydrophobicContact CB-CD1 4.1Å; A539-L558 HydrophobicContact CB-CD2 3.68Å; A539-L558 HydrophobicContact CB-CG 4.44Å
540P91.9Very high90.8Very high103 Ų10339.8 Ų39.867%0.66921%0.207SC*.EExtended strand (participates in β ladder)trans-64.4141.2170.228.8-34.5000110.2S528S528-P540 CarbonylContact O-C 3.54Å; S528-P540 WeakPolarHBondContact O-CA 3.3Å
541R89.6Confident90.8Very high7 Ų739.4 Ų39.43%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-126.6122.3178.7171.5-179.7-88-135-7.1108.6R527 S528 A550 F554 Y880R527-R541 WeakPolarHBondContact CA-O 3.46Å; S528-R541 PolarHBondContact N-O 2.86Å; S528-R541 PolarHBondContact O-N 3.46Å; S528-R541 PolarHBondContact OG-O 3.19Å; R541-A550 VanDerWaalsContact CZ-O 3.23Å; R541-A550 PolarHBondContact NH1-O 2.9Å; R541-A550 PolarHBondContact NH2-O 3.43Å; R541-F554 HydrophobicContact CB-CD2 3.93Å; R541-F554 HydrophobicContact CB-CE2 3.57Å; R541-F554 HydrophobicContact CB-CZ 4.16Å; R541-F554 HydrophobicContact CG-CD2 4.07Å; R541-F554 HydrophobicContact CG-CE2 4.2Å; R541-F554 VanDerWaalsContact NH2-CB 3.27Å; R541-Y880 VanDerWaalsContact NH1-CD2 3.34Å
542D90.4Very high90.6Very high103 Ų10341.9 Ų41.955%0.55122%0.215SC*.EExtended strand (participates in β ladder)trans-71.4150.7169.1-64.6-44.4000110R527 P544R527-D542 WeakPolarHBondContact CG-OD1 3.34Å; R527-D542 IonicContact NE-OD1 2.63Å; R527-D542 PolarHBondContact NE-OD1 3.27Å; R527-D542 VanDerWaalsContact NE-OD1 3.11Å; D542-P544 VanDerWaalsContact O-CD 3.32Å; D542-P544 WeakPolarHBondContact O-CD 3.46Å
543D89.6Confident90.4Very high16 Ų1644.1 Ų44.19%0.08623%0.227CC..  trans-65.6114-178.6-176.526000111.6S491 T493 S524 G526S491-D543 VanDerWaalsContact CB-CG 3.43Å; S491-D543 WeakPolarHBondContact CB-OD2 3.22Å; S491-D543 VanDerWaalsContact OG-CG 3.24Å; S491-D543 PolarHBondContact OG-OD1 3.18Å; S491-D543 PolarHBondContact OG-OD2 2.86Å; T493-D543 WeakPolarHBondContact CB-OD1 3.44Å; T493-D543 WeakPolarHBondContact CG2-OD1 3.3Å; T493-D543 PolarHBondContact OG1-OD1 3.46Å; T493-D543 PolarHBondContact OG1-OD2 2.94Å; T493-D543 VanDerWaalsContact OG1-OD2 3.04Å; S524-D543 WeakPolarHBondContact CB-OD2 3.35Å; S524-D543 WeakPolarHBondContact OG-CB 3.18Å; S524-D543 VanDerWaalsContact OG-CG 3.31Å; S524-D543 PolarHBondContact OG-OD2 3.36Å; G526-D543 WeakPolarHBondContact O-CB 3.44Å; G526-D543 PolarHBondContact O-N 3.21Å
544P90Very high90.4Very high9 Ų945 Ų456%0.05823%0.23CC..  trans-80139.1-169.831.4-34.1000111.9L492 D542 A549 A550 Y880L492-P544 HydrophobicContact CB-CG 4.47Å; L492-P544 WeakPolarHBondContact CB-O 3.43Å; L492-P544 HydrophobicContact CD1-CB 4.23Å; L492-P544 HydrophobicContact CD1-CG 4.2Å; L492-P544 WeakPolarHBondContact CG-O 3.48Å; L492-P544 PolarHBondContact N-O 2.93Å; D542-P544 VanDerWaalsContact O-CD 3.32Å; D542-P544 WeakPolarHBondContact O-CD 3.46Å; P544-A549 HydrophobicContact CB-CB 4.28Å; P544-A550 HydrophobicContact CB-CB 3.78Å; P544-A550 HydrophobicContact CG-CB 3.64Å; P544-Y880 HydrophobicContact CG-CD1 4.33Å; P544-Y880 HydrophobicContact CG-CE1 3.93Å
545F88.9Confident90.3Very high26 Ų2645.4 Ų45.411%0.11423%0.232CC..SBendtrans-96.9-27.3170.1-73.4-105.4000111.7R490 C497 H522R490-F545 VanDerWaalsContact C-CE1 3.46Å; C497-F545 HydrophobicContact CB-CE1 4.14Å; C497-F545 HydrophobicContact CB-CZ 4.27Å; H522-F545 HydrophobicContact CB-CB 4.04Å; H522-F545 HydrophobicContact CB-CD1 3.33Å; H522-F545 HydrophobicContact CB-CD2 3.55Å; H522-F545 HydrophobicContact CB-CE1 3.53Å; H522-F545 HydrophobicContact CB-CE2 3.76Å; H522-F545 HydrophobicContact CB-CG 3.34Å; H522-F545 HydrophobicContact CB-CZ 3.75Å; H522-F545 AromaticContact CD2-CD1 3.95Å; H522-F545 AromaticContact CG-CD1 3.74Å
546D88.3Confident90.3Very high92 Ų9249.8 Ų49.849%0.49225%0.253SS..SBendtrans-108.1145.9179.9-58.4-57.4000112.6L492 Q548 A549 A550L492-D546 WeakPolarHBondContact CD1-O 3.44Å; D546-Q548 VanDerWaalsContact C-N 3.29Å; D546-Q548 PolarHBondContact O-N 3.47Å; D546-A549 HydrophobicContact CB-CB 4.37Å; D546-A549 PolarHBondContact O-N 2.77Å; D546-A550 PolarHBondContact O-N 2.98Å
547I88Confident90.2Very high31 Ų3148.9 Ų48.916%0.15926%0.257CS..Hα-helixtrans-66.2-33.6-179.6-67.9-72.2000111.8L492 A550 N551 M665 F678 A883L492-I547 HydrophobicContact CD1-CD1 3.77Å; L492-I547 HydrophobicContact CD1-CG1 4.3Å; L492-I547 HydrophobicContact CD2-CD1 3.95Å; L492-I547 HydrophobicContact CD2-CG1 4.43Å; I547-A550 PolarHBondContact O-N 2.93Å; I547-N551 WeakPolarHBondContact O-CB 3.21Å; I547-N551 PolarHBondContact O-N 2.66Å; I547-M665 HydrophobicContact CG2-CG 4.17Å; I547-M665 HydrophobicContact CG2-SD 4.19Å; I547-F678 HydrophobicContact CG2-CE2 4.17Å; I547-F678 HydrophobicContact CG2-CZ 4.02Å; I547-A883 HydrophobicContact CD1-CB 3.44Å; I547-A883 VanDerWaalsContact CD1-CB 3.44Å; I547-A883 HydrophobicContact CG1-CB 3.62Å
548Q87.9Confident90Very high94 Ų9444.8 Ų44.844%0.43924%0.239SC..Hα-helixtrans-63-47.9175.4-169-177.1-28.400111.3D546 A550 N551 H552 D553 F678D546-Q548 VanDerWaalsContact C-N 3.29Å; D546-Q548 PolarHBondContact O-N 3.47Å; Q548-A550 VanDerWaalsContact C-N 3.28Å; Q548-A550 PolarHBondContact O-N 2.94Å; Q548-N551 PolarHBondContact O-N 3.19Å; Q548-H552 HydrophobicContact CG-CB 4.21Å; Q548-H552 WeakPolarHBondContact O-CA 3.3Å; Q548-H552 WeakPolarHBondContact O-CB 3.37Å; Q548-H552 PolarHBondContact O-N 3.34Å; Q548-D553 WeakPolarHBondContact CG-OD1 3.23Å; Q548-D553 PolarHBondContact NE2-OD1 3.23Å; Q548-D553 PolarHBondContact O-N 3.44Å; Q548-F678 VanDerWaalsContact CA-CZ 3.41Å; Q548-F678 HydrophobicContact CB-CD1 4.27Å; Q548-F678 HydrophobicContact CB-CE1 3.57Å; Q548-F678 HydrophobicContact CB-CE2 4.37Å; Q548-F678 HydrophobicContact CB-CZ 3.64Å; Q548-F678 HydrophobicContact CG-CD1 3.85Å; Q548-F678 HydrophobicContact CG-CE1 3.68Å; Q548-F678 HydrophobicContact CG-CG 4.38Å; Q548-F678 HydrophobicContact CG-CZ 4.06Å
549A88.4Confident89.7Confident35 Ų3543.6 Ų43.629%0.28923%0.234SC..Iπ-helixtrans-60-39.7175.500000111.8P544 D546 D553P544-A549 HydrophobicContact CB-CB 4.28Å; D546-A549 HydrophobicContact CB-CB 4.37Å; D546-A549 PolarHBondContact O-N 2.77Å; A549-D553 WeakPolarHBondContact CA-OD2 3.39Å; A549-D553 PolarHBondContact N-OD2 3.05Å
550A89.3Confident89.3Confident0 Ų050.6 Ų50.60%026%0.263CS..Iπ-helixtrans-70.1-44.1179.700000114.2L492 R541 P544 D546 I547 Q548 Y880L492-A550 HydrophobicContact CD1-CB 3.62Å; R541-A550 VanDerWaalsContact CZ-O 3.23Å; R541-A550 PolarHBondContact NH1-O 2.9Å; R541-A550 PolarHBondContact NH2-O 3.43Å; P544-A550 HydrophobicContact CB-CB 3.78Å; P544-A550 HydrophobicContact CG-CB 3.64Å; D546-A550 PolarHBondContact O-N 2.98Å; I547-A550 PolarHBondContact O-N 2.93Å; Q548-A550 VanDerWaalsContact C-N 3.28Å; Q548-A550 PolarHBondContact O-N 2.94Å; A550-Y880 HydrophobicContact CB-CD1 4.14Å
551N91.9Very high89Confident0 Ų052.3 Ų52.30%026%0.26CS..Iπ-helixtrans-109.4-16-166.8-70.5-16.8000114.2I547 Q548 Y555 S680 R877 Y880 S881I547-N551 WeakPolarHBondContact O-CB 3.21Å; I547-N551 PolarHBondContact O-N 2.66Å; Q548-N551 PolarHBondContact O-N 3.19Å; N551-Y555 WeakPolarHBondContact O-CD2 3.42Å; N551-S680 PolarHBondContact ND2-OG 3.37Å; N551-R877 PolarHBondContact O-NH1 3.36Å; N551-R877 PolarHBondContact O-NH2 3.47Å; N551-Y880 PolarHBondContact OD1-N 3.17Å; N551-S881 PolarHBondContact ND2-O 3.1Å; N551-S881 PolarHBondContact OD1-N 3.02Å; N551-S881 VanDerWaalsContact OD1-N 3.07Å
552H89.6Confident89Confident53 Ų5353.4 Ų53.425%0.24527%0.269CS..Iπ-helixtrans-123.5-68.4-175-169.971.6000112.8Q548 F554 Y555 Q556 F678Q548-H552 HydrophobicContact CG-CB 4.21Å; Q548-H552 WeakPolarHBondContact O-CA 3.3Å; Q548-H552 WeakPolarHBondContact O-CB 3.37Å; Q548-H552 PolarHBondContact O-N 3.34Å; H552-F554 VanDerWaalsContact C-N 3.34Å; H552-F554 PolarHBondContact O-N 3.33Å; H552-Y555 PolarHBondContact O-N 3.17Å; H552-Q556 PolarHBondContact NE2-OE1 3.1Å; H552-Q556 PolarHBondContact O-N 2.85Å; H552-F678 HydrophobicContact CB-CB 4.33Å; H552-F678 HydrophobicContact CB-CD2 3.71Å; H552-F678 HydrophobicContact CB-CE2 4.3Å; H552-F678 HydrophobicContact CB-CG 4.09Å
553D90.6Very high88.9Confident47 Ų4748.6 Ų48.625%0.25124%0.243SC..Iπ-helixtrans-58.6-42-164.9-55.2-27.8000112.8Q548 A549 Y555 Q556 N557Q548-D553 WeakPolarHBondContact CG-OD1 3.23Å; Q548-D553 PolarHBondContact NE2-OD1 3.23Å; Q548-D553 PolarHBondContact O-N 3.44Å; A549-D553 WeakPolarHBondContact CA-OD2 3.39Å; A549-D553 PolarHBondContact N-OD2 3.05Å; D553-Y555 VanDerWaalsContact C-N 3.3Å; D553-Y555 PolarHBondContact O-N 2.59Å; D553-Q556 PolarHBondContact O-N 3.1Å; D553-N557 WeakPolarHBondContact O-CB 3.42Å; D553-N557 VanDerWaalsContact O-CG 3.25Å; D553-N557 PolarHBondContact O-N 3.31Å; D553-N557 PolarHBondContact O-ND2 2.83Å
554F91Very high88.7Confident25 Ų2550.4 Ų50.411%0.1127%0.265CS..Hα-helixtrans-57.6-43175.5173.2-93.4000112.6A539 R541 H552 L558A539-F554 HydrophobicContact CB-CE2 4.39Å; A539-F554 HydrophobicContact CB-CZ 4.38Å; R541-F554 HydrophobicContact CB-CD2 3.93Å; R541-F554 HydrophobicContact CB-CE2 3.57Å; R541-F554 HydrophobicContact CB-CZ 4.16Å; R541-F554 HydrophobicContact CG-CD2 4.07Å; R541-F554 HydrophobicContact CG-CE2 4.2Å; R541-F554 VanDerWaalsContact NH2-CB 3.27Å; H552-F554 VanDerWaalsContact C-N 3.34Å; H552-F554 PolarHBondContact O-N 3.33Å; F554-L558 HydrophobicContact CD1-CD1 4.14Å; F554-L558 HydrophobicContact CE1-CD1 3.49Å; F554-L558 VanDerWaalsContact CE1-CD1 3.49Å; F554-L558 HydrophobicContact CE2-CD1 4.18Å; F554-L558 HydrophobicContact CZ-CD1 3.51Å; F554-L558 PolarHBondContact O-N 3.43Å
555Y90.8Very high88.5Confident10 Ų1059.9 Ų59.94%0.03931%0.306CS..Hα-helixtrans-76.5-36.8-176.8-65.4-76.4000111.3N533 N551 H552 D553 L558 E559 R877N533-Y555 VanDerWaalsContact OD1-CD1 3.32Å; N533-Y555 WeakPolarHBondContact OD1-CD1 3.22Å; N551-Y555 WeakPolarHBondContact O-CD2 3.42Å; H552-Y555 PolarHBondContact O-N 3.17Å; D553-Y555 VanDerWaalsContact C-N 3.3Å; D553-Y555 PolarHBondContact O-N 2.59Å; Y555-L558 CarbonylContact O-C 3.59Å; Y555-L558 PolarHBondContact O-N 2.85Å; Y555-L558 VanDerWaalsContact O-N 3.14Å; Y555-E559 PolarHBondContact O-N 3.05Å; Y555-R877 VanDerWaalsContact CD2-CZ 3.44Å; Y555-R877 HydrophobicContact CE1-CG 4.36Å; Y555-R877 VanDerWaalsContact CE2-CZ 3.46Å
556Q89.6Confident88.5Confident92 Ų9260.4 Ų60.443%0.4331%0.309SS..Hα-helixtrans-60.2-45.8174.7-16917821.900111.2H552 D553 L558 E559H552-Q556 PolarHBondContact NE2-OE1 3.1Å; H552-Q556 PolarHBondContact O-N 2.85Å; D553-Q556 PolarHBondContact O-N 3.1Å; Q556-L558 PolarHBondContact O-N 2.81Å; Q556-L558 VanDerWaalsContact O-N 3.15Å; Q556-E559 WeakPolarHBondContact O-CB 3.23Å; Q556-E559 PolarHBondContact O-N 2.85Å
557N89.4Confident88.5Confident98 Ų9860.4 Ų60.452%0.52431%0.306SS..Hα-helixtrans-60.1-26175.5-73.2-28.8000113.8D553D553-N557 WeakPolarHBondContact O-CB 3.42Å; D553-N557 VanDerWaalsContact O-CG 3.25Å; D553-N557 PolarHBondContact O-N 3.31Å; D553-N557 PolarHBondContact O-ND2 2.83Å
558L89.2Confident88.5Confident14 Ų1464.1 Ų64.17%0.07332%0.318CS..Hα-helixtrans-92.6-18.8175.6-67.9177.2000113.3C532 A539 F554 Y555 Q556 K561 C562C532-L558 HydrophobicContact CB-CB 3.97Å; C532-L558 HydrophobicContact CB-CD1 3.98Å; A539-L558 HydrophobicContact CB-CD1 4.1Å; A539-L558 HydrophobicContact CB-CD2 3.68Å; A539-L558 HydrophobicContact CB-CG 4.44Å; F554-L558 HydrophobicContact CD1-CD1 4.14Å; F554-L558 HydrophobicContact CE1-CD1 3.49Å; F554-L558 VanDerWaalsContact CE1-CD1 3.49Å; F554-L558 HydrophobicContact CE2-CD1 4.18Å; F554-L558 HydrophobicContact CZ-CD1 3.51Å; F554-L558 PolarHBondContact O-N 3.43Å; Y555-L558 CarbonylContact O-C 3.59Å; Y555-L558 PolarHBondContact O-N 2.85Å; Y555-L558 VanDerWaalsContact O-N 3.14Å; Q556-L558 PolarHBondContact O-N 2.81Å; Q556-L558 VanDerWaalsContact O-N 3.15Å; L558-K561 PolarHBondContact O-N 2.99Å; L558-C562 WeakPolarHBondContact O-CB 3.15Å; L558-C562 PolarHBondContact O-N 2.83Å
559E87.2Confident88.4Confident41 Ų4161.6 Ų61.619%0.19231%0.307CS..Iπ-helixtrans-63.5-47.9179.4-175.3164.8-159.400110.4Y555 Q556 K561 C562 C563 G564 R568Y555-E559 PolarHBondContact O-N 3.05Å; Q556-E559 WeakPolarHBondContact O-CB 3.23Å; Q556-E559 PolarHBondContact O-N 2.85Å; E559-K561 PolarHBondContact O-N 2.89Å; E559-K561 VanDerWaalsContact O-N 3.12Å; E559-C562 CarbonylContact O-C 3.6Å; E559-C562 PolarHBondContact O-N 2.98Å; E559-C563 HydrophobicContact CB-CB 4.5Å; E559-C563 HydrophobicContact CG-CB 4.13Å; E559-C563 PolarHBondContact O-N 2.81Å; E559-G564 PolarHBondContact O-N 3.49Å; E559-R568 IonicContact OE1-NH1 3.76Å; E559-R568 PolarHBondContact OE1-NH1 2.84Å; E559-R568 VanDerWaalsContact OE1-NH1 3.12Å; E559-R568 IonicContact OE2-NH1 3.11Å
560E82.8Confident88.2Confident167 Ų16764.5 Ų64.578%0.7832%0.318SS*.Iπ-helixtrans-52.5-36.7174.3-64.4-175.3168.800112.3
561K87Confident88Confident138 Ų13865 Ų6560%0.632%0.32SS*.Iπ-helixtrans-86.7-18-176.5-62.9175.4-174.2169.80113K537 L558 E559K537-K561 WeakPolarHBondContact CE-O 3.32Å; K537-K561 PolarHBondContact NZ-O 2.94Å; L558-K561 PolarHBondContact O-N 2.99Å; E559-K561 PolarHBondContact O-N 2.89Å; E559-K561 VanDerWaalsContact O-N 3.12Å
562C89.2Confident87.6Confident31 Ų3167.7 Ų67.721%0.20934%0.338CS..Iπ-helixtrans-148-54.9-168-168.40000115.6K537 L558 E559K537-C562 HydrophobicContact CB-CB 4.46Å; K537-C562 HydrophobicContact CD-CB 3.9Å; K537-C562 HydrophobicContact CG-CB 4.13Å; L558-C562 WeakPolarHBondContact O-CB 3.15Å; L558-C562 PolarHBondContact O-N 2.83Å; E559-C562 CarbonylContact O-C 3.6Å; E559-C562 PolarHBondContact O-N 2.98Å
563C88.2Confident87.3Confident2 Ų267.5 Ų67.51%0.01434%0.34CS..Iπ-helixtrans-91.9-16.6-165.9-53.80000113.4C534 E559 K565 L566 L684C534-C563 PolarHBondContact SG-SG 3.39Å; E559-C563 HydrophobicContact CB-CB 4.5Å; E559-C563 HydrophobicContact CG-CB 4.13Å; E559-C563 PolarHBondContact O-N 2.81Å; C563-K565 PolarHBondContact O-N 2.87Å; C563-L566 HydrophobicContact CB-CD1 4.42Å; C563-L566 WeakPolarHBondContact O-CB 3.16Å; C563-L566 PolarHBondContact O-N 2.74Å; C563-L684 HydrophobicContact CB-CD1 4.01Å
564G85.8Confident86.8Confident53 Ų5365.9 Ų65.955%0.54633%0.331SS..THydrogen-bonded Turntrans-65.2-8.1-168.400000116.8E559E559-G564 PolarHBondContact O-N 3.49Å
565K85.8Confident86Confident209 Ų20972 Ų7291%0.90936%0.36SS*.THydrogen-bonded Turntrans-100.5-1.2174.9-61.4-174.5-178.5-176.70113.7C563C563-K565 PolarHBondContact O-N 2.87Å
566L88.8Confident85.1Confident36 Ų3675.4 Ų75.419%0.18838%0.383CS..SBendtrans-87.6147.6-178-61.4174.1000110.3C534 C563 L684 L686C534-L566 HydrophobicContact CB-CD1 3.72Å; C563-L566 HydrophobicContact CB-CD1 4.42Å; C563-L566 WeakPolarHBondContact O-CB 3.16Å; C563-L566 PolarHBondContact O-N 2.74Å; L566-L684 HydrophobicContact CD1-CD1 4.24Å; L566-L686 HydrophobicContact CD1-CD2 4.02Å
567E87.5Confident83.8Confident93 Ų9374.7 Ų74.744%0.43539%0.388SS..EExtended strand (participates in β ladder)trans-67.9133.5172.3-178.3-172.216000109.1L684 K685E567-L684 WeakPolarHBondContact O-CA 3.44Å; E567-K685 HydrophobicContact CB-CB 4.03Å; E567-K685 HydrophobicContact CB-CD 4.34Å; E567-K685 HydrophobicContact CG-CD 4.45Å; E567-K685 PolarHBondContact O-N 2.9Å; E567-K685 IonicContact OE1-NZ 2.87Å; E567-K685 WeakPolarHBondContact OE2-CD 3.47Å; E567-K685 IonicContact OE2-NZ 2.75Å; E567-K685 PolarHBondContact OE2-NZ 2.89Å
568R87.9Confident82.4Confident109 Ų10973.1 Ų73.141%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-126.6137.7-173-177.6172.273.7177.915.7110.1E559 D570 L684E559-R568 IonicContact OE1-NH1 3.76Å; E559-R568 PolarHBondContact OE1-NH1 2.84Å; E559-R568 VanDerWaalsContact OE1-NH1 3.12Å; E559-R568 IonicContact OE2-NH1 3.11Å; R568-D570 WeakPolarHBondContact CD-OD1 3.33Å; R568-D570 IonicContact CZ-OD1 2.87Å; R568-D570 IonicContact CZ-OD2 3.35Å; R568-D570 IonicContact NE-OD1 3.91Å; R568-D570 PolarHBondContact NE-OD1 2.87Å; R568-D570 IonicContact NE-OD2 2.63Å; R568-D570 PolarHBondContact NE-OD2 2.82Å; R568-D570 VanDerWaalsContact NH2-CG 3.33Å; R568-D570 IonicContact NH2-OD1 3.73Å; R568-D570 PolarHBondContact NH2-OD1 3.19Å; R568-D570 IonicContact NH2-OD2 3.23Å; R568-D570 PolarHBondContact NH2-OD2 2.9Å; R568-D570 VanDerWaalsContact NH2-OD2 3.1Å; R568-L684 HydrophobicContact CB-CD2 3.73Å; R568-L684 HydrophobicContact CG-CD2 3.78Å
569I87Confident80.8Confident40 Ų4081.6 Ų81.621%0.20543%0.427CS..EExtended strand (participates in β ladder)trans-94115.9163.8-65.7171.4000106.6L683 V866 W874I569-L683 HydrophobicContact CB-CB 4.37Å; I569-L683 HydrophobicContact CB-CD2 4.04Å; I569-L683 HydrophobicContact CB-CG 4.29Å; I569-L683 HydrophobicContact CD1-CD2 3.77Å; I569-L683 HydrophobicContact CD1-CG 4.36Å; I569-L683 HydrophobicContact CG1-CD2 4.42Å; I569-L683 HydrophobicContact CG2-CD2 4.38Å; I569-L683 PolarHBondContact N-O 3.01Å; I569-V866 HydrophobicContact CD1-CG1 3.99Å; I569-V866 HydrophobicContact CG2-CG1 4.11Å; I569-W874 HydrophobicContact CD1-CE3 4.29Å; I569-W874 HydrophobicContact CD1-CH2 3.66Å; I569-W874 HydrophobicContact CD1-CZ2 4.49Å; I569-W874 HydrophobicContact CD1-CZ3 3.53Å; I569-W874 HydrophobicContact CG1-CH2 4.04Å; I569-W874 HydrophobicContact CG1-CZ3 3.8Å
570D83.2Confident79.2Confident96 Ų9686.6 Ų86.651%0.51346%0.455SS..PPolyproline II helixtrans-83.6124.6-178.3-82.8-45000111.2R568R568-D570 WeakPolarHBondContact CD-OD1 3.33Å; R568-D570 IonicContact CZ-OD1 2.87Å; R568-D570 IonicContact CZ-OD2 3.35Å; R568-D570 IonicContact NE-OD1 3.91Å; R568-D570 PolarHBondContact NE-OD1 2.87Å; R568-D570 IonicContact NE-OD2 2.63Å; R568-D570 PolarHBondContact NE-OD2 2.82Å; R568-D570 VanDerWaalsContact NH2-CG 3.33Å; R568-D570 IonicContact NH2-OD1 3.73Å; R568-D570 PolarHBondContact NH2-OD1 3.19Å; R568-D570 IonicContact NH2-OD2 3.23Å; R568-D570 PolarHBondContact NH2-OD2 2.9Å; R568-D570 VanDerWaalsContact NH2-OD2 3.1Å
571F86.1Confident78.2Confident11 Ų1179.9 Ų79.95%0.04843%0.426CS..PPolyproline II helixtrans-76.6137168.7-64.3-69.9000109.3V573 W681 L683 P861 E862 Q863 V866 L876F571-V573 PolarHBondContact O-N 3.38Å; F571-W681 HydrophobicContact CD2-CB 3.67Å; F571-W681 HydrophobicContact CE2-CB 3.51Å; F571-W681 HydrophobicContact CZ-CB 4.26Å; F571-L683 HydrophobicContact CE2-CB 4.11Å; F571-L683 HydrophobicContact CZ-CB 4.14Å; F571-P861 HydrophobicContact CD1-CB 3.67Å; F571-P861 HydrophobicContact CE1-CB 3.52Å; F571-P861 HydrophobicContact CE1-CG 4.05Å; F571-P861 HydrophobicContact CG-CB 4.3Å; F571-P861 HydrophobicContact CZ-CB 4.05Å; F571-E862 WeakPolarHBondContact CB-OE2 3.43Å; F571-Q863 HydrophobicContact CD1-CB 4.3Å; F571-V866 HydrophobicContact CE1-CG2 4.01Å; F571-L876 HydrophobicContact CE2-CD1 4.42Å; F571-L876 HydrophobicContact CZ-CD1 4.2Å
572P82.1Confident77.1Confident56 Ų5675.7 Ų75.736%0.36442%0.416SS..PPolyproline II helixtrans-54.3132.7178.6-2734.1000112.1L675 E862P572-L675 HydrophobicContact CB-CD1 3.97Å; P572-L675 HydrophobicContact CB-CD2 4.06Å; P572-E862 HydrophobicContact CB-CB 4.44Å; P572-E862 VanDerWaalsContact O-CG 3.27Å; P572-E862 WeakPolarHBondContact O-CG 3.21Å
573V83.8Confident76.1Confident49 Ų4977.4 Ų77.430%0.29743%0.427SS..  trans-122.4156.9172.1-65.80000109.4F571 Q575F571-V573 PolarHBondContact O-N 3.38Å; V573-Q575 PolarHBondContact O-N 2.84Å
574F80.4Confident74.9Confident14 Ų1478 Ų786%0.06143%0.432CS..  trans-60.8125.6177.5177-98.6000110.8P576 P581 S657 E660 L675 P676F574-P576 HydrophobicContact CE1-CB 3.81Å; F574-P576 HydrophobicContact CE1-CG 4.49Å; F574-P576 HydrophobicContact CZ-CB 4.46Å; F574-P581 HydrophobicContact CE1-CB 3.54Å; F574-P581 HydrophobicContact CE1-CG 3.96Å; F574-P581 HydrophobicContact CZ-CB 3.69Å; F574-S657 WeakPolarHBondContact CD2-O 3.37Å; F574-S657 VanDerWaalsContact CE2-O 3.29Å; F574-S657 WeakPolarHBondContact CE2-O 3.08Å; F574-E660 WeakPolarHBondContact CD2-O 3.46Å; F574-E660 VanDerWaalsContact CE2-C 3.44Å; F574-E660 WeakPolarHBondContact CE2-O 3.2Å; F574-L675 HydrophobicContact CB-CB 4.08Å; F574-P676 PolarHBondContact N-O 3.09Å
575Q74.3Confident73.4Confident152 Ų15280.1 Ų80.171%0.7144%0.439SS*.  trans-108.9112.3173.4-68.5-176.73.500108.5V573 S577V573-Q575 PolarHBondContact O-N 2.84Å; Q575-S577 PolarHBondContact O-N 2.94Å
576P72.6Confident71.4Confident82 Ų8275.5 Ų75.553%0.53242%0.424SS..  trans-65.8127.6-179.423.2-29.8000110.8F574 P581F574-P576 HydrophobicContact CE1-CB 3.81Å; F574-P576 HydrophobicContact CE1-CG 4.49Å; F574-P576 HydrophobicContact CZ-CB 4.46Å; P576-P581 HydrophobicContact CB-CB 4.24Å; P576-P581 HydrophobicContact CB-CG 3.94Å
577S60.9Low68.9Low77 Ų7784.8 Ų84.854%0.53846%0.457SS..SBendtrans-92.6-6.1169.556.40000113Q575 T658Q575-S577 PolarHBondContact O-N 2.94Å; S577-T658 PolarHBondContact N-O 3.32Å; S577-T658 VanDerWaalsContact N-O 3.17Å; S577-T658 VanDerWaalsContact OG-CB 3.27Å; S577-T658 WeakPolarHBondContact OG-CB 3.38Å; S577-T658 PolarHBondContact OG-O 3.29Å; S577-T658 PolarHBondContact OG-OG1 2.82Å; S577-T658 VanDerWaalsContact OG-OG1 3.13Å
578T61.4Low66.4Low65 Ų6584.4 Ų84.440%0.39947%0.469SS..SBendtrans-124.9156.1178.256.50000110.9D580T578-D580 PolarHBondContact O-N 3.08Å
579L55.2Low63.8Low192 Ų19288.3 Ų88.3100%1.00549%0.492SS*.SBendtrans-66.6-20.9179.6-73.3166.4000113.4
580D54.1Low60.8Low147 Ų14797.4 Ų97.479%0.78652%0.524SS*.SBendtrans-139.285.6-180-162.38.7000110.5T578T578-D580 PolarHBondContact O-N 3.08Å
581P61.3Low58.1Low26 Ų2698.6 Ų98.617%0.16954%0.537CS..PPolyproline II helixtrans-77.1134.3178.132.8-37.7000111.2F574 P576 Y661F574-P581 HydrophobicContact CE1-CB 3.54Å; F574-P581 HydrophobicContact CE1-CG 3.96Å; F574-P581 HydrophobicContact CZ-CB 3.69Å; P576-P581 HydrophobicContact CB-CB 4.24Å; P576-P581 HydrophobicContact CB-CG 3.94Å; P581-Y661 HydrophobicContact CB-CD1 4.33Å; P581-Y661 WeakPolarHBondContact O-CE1 3.46Å
582A63Low55.3Low49 Ų49104.1 Ų104.141%0.40557%0.574SS.*EExtended strand (participates in β ladder)trans-85.9148.5-179.500000112.2V659 E660 Y661A582-V659 PolarHBondContact N-O 3.3Å; A582-E660 VanDerWaalsContact O-CA 3.26Å; A582-E660 WeakPolarHBondContact O-CA 3.38Å; A582-Y661 VanDerWaalsContact C-CE1 3.47Å; A582-Y661 VanDerWaalsContact O-CD1 3.3Å; A582-Y661 WeakPolarHBondContact O-CD1 3.48Å; A582-Y661 PolarHBondContact O-N 2.95Å
583P69.3Low52.6Low67 Ų67107.1 Ų107.144%0.43560%0.596SS.*EExtended strand (participates in β ladder)trans-67.5137.5167.426.9-30.8000110.2S585 Y661 P663P583-S585 PolarHBondContact O-N 3.34Å; P583-Y661 HydrophobicContact CB-CE1 4.12Å; P583-Y661 HydrophobicContact CB-CE2 4.11Å; P583-P663 HydrophobicContact CB-CG 3.7Å
584A62.6Low49.9Very low15 Ų15113 Ų11312%0.12462%0.62CS.*PPolyproline II helixtrans-60.5133.1173.100000110.5E660 Y661 L674A584-E660 HydrophobicContact CB-CB 4.28Å; A584-Y661 PolarHBondContact N-O 2.8Å; A584-L674 HydrophobicContact CB-CD1 3.46Å; A584-L674 VanDerWaalsContact CB-CD1 3.46Å; A584-L674 HydrophobicContact CB-CD2 4.15Å; A584-L674 HydrophobicContact CB-CG 4.45Å
585S53.6Low47.2Very low98 Ų98118.6 Ų118.669%0.68566%0.656SS**  trans-105.7125.9-179-176.30000111P583 R587P583-S585 PolarHBondContact O-N 3.34Å; S585-R587 VanDerWaalsContact C-N 3.31Å; S585-R587 PolarHBondContact O-N 3.35Å
586D45.5Very low44.9Very low111 Ų111116.4 Ų116.459%0.59466%0.658SS**  trans-78.676.9-179.2-147.719.4000110.9
587R36Very low42.6Very low232 Ų232116.9 Ų116.988%0.87567%0.668SS**  trans-94.77.5177.9-113.1-175.1-178.7-166.61114.3S585 Q589S585-R587 VanDerWaalsContact C-N 3.31Å; S585-R587 PolarHBondContact O-N 3.35Å; R587-Q589 PolarHBondContact O-N 3.13Å
588A34.5Very low40.8Very low84 Ų84121.4 Ų121.469%0.69469%0.687SS**  trans-93.164.2-176.900000112.7
589Q33.7Very low39Very low191 Ų191121.6 Ų121.689%0.89370%0.701SS**SBendtrans-172.476.3154.2-105.9170.639.500110.9R587R587-Q589 PolarHBondContact O-N 3.13Å
590R23.8Very low37.5Very low232 Ų232122 Ų12288%0.87570%0.698SS**  trans-158.4128.1155.2-105.4174.9-166.6-179.33.7108.6
591P26.6Very low36Very low121 Ų121126.4 Ų126.479%0.78670%0.704SS**PPolyproline II helixtrans-70.9145.317229.9-30.7000109.6
592P27.6Very low34.3Very low126 Ų126131.2 Ų131.282%0.81874%0.735SS**PPolyproline II helixtrans-79127.6179.730.4-30000110.5
593S24.4Very low32.3Very low120 Ų120138 Ų13884%0.83976%0.755SS**PPolyproline II helixtrans-90.3122159.952.10000108.4
594E27.3Very low30.1Very low171 Ų171141.9 Ų141.980%0.79977%0.767SS**PPolyproline II helixtrans-74.2163.2-179.3-65.9-171.5147.800113.9
595T23.8Very low28.1Very low132 Ų132149.3 Ų149.381%0.8180%0.8SS**  trans89.4132.5164.167.90000117.1
596S25.1Very low26.7Very low107 Ų107150.7 Ų150.775%0.74881%0.809SS**  cis-176.2150-8.342.10000110.2
597A24.3Very low25.6Very low91 Ų91149.9 Ų149.975%0.75282%0.818SS**  trans76.5117.314600000123.2
598D23.5Very low25.1Very low173 Ų173143.3 Ų143.393%0.92581%0.813SS**  trans70.4131.3134.7-80.3-21.2000124.4
599G23.3Very low24.6Very low69 Ų69148.2 Ų148.271%0.71182%0.822SS**  trans125.991.2134.700000118.8
600E24.4Very low24.3Very low200 Ų200143.9 Ų143.994%0.93581%0.812SS**  trans73.5123.3144.4-58.8-171.6129.100122
601R23.1Very low24.5Very low240 Ų240141 Ų14191%0.90681%0.808SS**  trans-83.3155.1163-70.4178177.5-179.6-1.5110.3
602P24.2Very low24.5Very low127 Ų127141 Ų14183%0.82581%0.806SS**  -133.5157.4115.113.67.9000114.7
603K21.8Very low24.9Very low192 Ų192140.3 Ų140.384%0.83580%0.802SS**  trans-55.9159.3168.3-62.2173.6168.4-177.30110.7
604E22.1Very low25Very low147 Ų147138.1 Ų138.169%0.68780%0.798SS**  cis-175.9169.934-146172.2-132.800109.8
605Q21.9Very low25Very low172 Ų172137.8 Ų137.880%0.80480%0.802SS**  trans98124.8151.1-69.6169.225.600122.1
606S23.8Very low25.2Very low126 Ų126135.9 Ų135.988%0.88180%0.8SS**  trans-56.9135.9173.4-58.60000114.7
607A22.6Very low25.5Very low95 Ų95136 Ų13679%0.78580%0.8SS**  trans-165.9132.2144.700000111.3
608A24.4Very low25.8Very low93 Ų93138.7 Ų138.777%0.76980%0.801SS**  trans37.6112.2149.700000119.7S610A608-S610 PolarHBondContact O-N 2.71Å
609H25.9Very low26.1Very low188 Ų188135.8 Ų135.887%0.8779%0.794SS**  trans-61101.1162.4-78.1-69.6000110.8
610S25.7Very low26.3Very low99 Ų99140.2 Ų140.269%0.69280%0.801SS**  trans-92.2121.9162.646.60000108.3A608 T612A608-S610 PolarHBondContact O-N 2.71Å; S610-T612 PolarHBondContact O-N 3.17Å
611H28.6Very low26.6Very low171 Ų171135 Ų13579%0.79279%0.792SS**  trans-83.793.7170.8-73.3-77000109.1
612T27.5Very low26.9Very low121 Ų121131.1 Ų131.174%0.74279%0.789SS**PPolyproline II helixtrans-93.9129.5152.742.70000108.1S610S610-T612 PolarHBondContact O-N 3.17Å
613P34.6Very low27Very low112 Ų112130.8 Ų130.873%0.72779%0.789SS**PPolyproline II helixtrans-75.4124.9164.9-6.623.3000108.6
614G27.4Very low27.4Very low74 Ų74129.9 Ų129.976%0.76379%0.792SS**PPolyproline II helixtrans-67.5149.1-178.400000115
615D26.3Very low27.6Very low165 Ų165126.2 Ų126.288%0.88279%0.794SS**  trans20.8101.5155.1-70.6-24.2000119.1S617D615-S617 PolarHBondContact O-N 3.47Å
616A27.9Very low27.8Very low92 Ų92127.9 Ų127.976%0.7680%0.802SS**  trans-80.285.4152.800000109.8L618A616-L618 VanDerWaalsContact C-N 3.34Å; A616-L618 PolarHBondContact O-N 2.96Å
617S32.1Very low28Very low109 Ų109127.1 Ų127.176%0.76280%0.796SS**  trans-78.691.2151.2-178.60000107.5D615D615-S617 PolarHBondContact O-N 3.47Å
618L31Very low28.2Very low147 Ų147129 Ų12977%0.7780%0.799SS**  trans-121.897.4168.9-70177.8000108.7A616 L620A616-L618 VanDerWaalsContact C-N 3.34Å; A616-L618 PolarHBondContact O-N 2.96Å; L618-L620 PolarHBondContact O-N 3.43Å
619S29.2Very low28.1Very low112 Ų112131.7 Ų131.778%0.78380%0.8SS**  trans-54.9113.2162.1-510000109.2A621S619-A621 PolarHBondContact O-N 3.26Å
620L29Very low28.1Very low162 Ų162128.7 Ų128.785%0.84880%0.8SS**  trans-71.792.1166.1-106.396.2000108.7L618L618-L620 PolarHBondContact O-N 3.43Å
621A29.1Very low28.1Very low90 Ų90132.1 Ų132.174%0.74481%0.81SS**  trans-96.8101.8161.400000108.7S619 S623S619-A621 PolarHBondContact O-N 3.26Å; A621-S623 PolarHBondContact O-N 2.89Å
622L28.9Very low27.9Very low160 Ų160127.8 Ų127.884%0.83881%0.811SS**  trans-72.6112.4160.9-72.5164.6000107.5
623S28.3Very low27.7Very low119 Ų119126.8 Ų126.883%0.83282%0.815SS**  trans-137.4126.7161.2-101.90000112A621A621-S623 PolarHBondContact O-N 2.89Å
624L28.6Very low27.3Very low173 Ų173132.8 Ų132.891%0.90683%0.825SS**  trans-59.4158.5175-96.960.9000111.5
625G26.3Very low27.2Very low70 Ų70134.3 Ų134.372%0.72283%0.83SS**  trans-61.2166.2-167.500000117.2
626Q27.6Very low27.1Very low207 Ų207134.2 Ų134.297%0.96783%0.83SS**  trans-164.5136.4130.5-102.2165.622.800109.6
627S27.9Very low27Very low110 Ų110133.8 Ų133.877%0.76983%0.826SS**  trans-100.1131.7178.448.40000110.2
628T25.1Very low26.6Very low136 Ų136136.7 Ų136.783%0.83483%0.833SS**  trans-170.9111.1152.150.90000105.9
629D23.5Very low26.3Very low149 Ų149134.2 Ų134.280%0.79783%0.834SS**  55.8107.680.2-147.720.4000114
630S26.2Very low26.2Very low124 Ų124134 Ų13487%0.86784%0.839SS**  trans176.2142.8138.9-80.80000113.9
631L25.7Very low26.1Very low172 Ų172134.8 Ų134.890%0.90184%0.844SS**  trans-84.1157.9-174.9-68150.7000113.9
632G23Very low25.9Very low79 Ų79133.6 Ų133.681%0.81484%0.841SS**  trans78154.2153.100000116
633A24.3Very low25.9Very low100 Ų100132.3 Ų132.383%0.82684%0.842SS**  cis-163.2167.318.500000111.5
634Y26.7Very low26.2Very low238 Ų238133.2 Ų133.293%0.93384%0.842SS**  trans-48.3149.2168-68.8-100.4000115.1
635A24.9Very low26.1Very low106 Ų106133.7 Ų133.788%0.87684%0.839SS**  trans-155.2132.814500000111.2
636D23.1Very low26.3Very low163 Ų163135.3 Ų135.387%0.87284%0.838SS**  trans-75.8160.2179.3-97.5-49.3000113.9
637A25.8Very low26.5Very low84 Ų84135.7 Ų135.769%0.69484%0.836SS**  trans40.8124.4144.300000121.1
638D24.4Very low26.3Very low170 Ų170141.7 Ų141.791%0.90984%0.842SS**  -160.7145.3115.8-112.3-23.6000113.5
639A25.5Very low26.5Very low95 Ų95140.5 Ų140.579%0.78584%0.836SS**  trans-94.6142.1-179.500000111.2
640A27.1Very low26.6Very low107 Ų107138.1 Ų138.188%0.88483%0.831SS**  trans-157.4134.8155.500000112.6
641D25.8Very low27.5Very low179 Ų179140.3 Ų140.396%0.95783%0.832SS**  trans-36.1146176.7-100.9-36.4000119.3
642G26.3Very low28Very low65 Ų65138 Ų13867%0.6783%0.825SS**  trans-175.8141.6163.300000111.7
643P28.3Very low28.9Very low133 Ų133141.2 Ų141.286%0.86482%0.824SS**  trans-85.5148.8-134.832.2-36000116.4
644V33.3Very low30Very low137 Ų137147.1 Ų147.183%0.8383%0.825SS**  trans-62.7127.3170174.90000111.5
645Q27.1Very low31.3Very low183 Ų183144.4 Ų144.486%0.85582%0.82SS**  trans-145.3155.3157.3-88.4-128.7-3.400109.4
646P30.7Very low33Very low105 Ų105142.6 Ų142.668%0.68280%0.799SS**  -89.1144.8-105.431.2-36.6000114.8R648P646-R648 PolarHBondContact O-N 3.09Å
647K31.9Very low34.9Very low214 Ų214136.7 Ų136.793%0.9377%0.771SS**  trans-58.2126.8155.8-87.8178.7173.9174.30110
648R24.8Very low36.7Very low237 Ų237136.2 Ų136.289%0.89476%0.759SS**  trans-140.1156.6153.4-113.7-172.7179.4174.80.6108.4P646P646-R648 PolarHBondContact O-N 3.09Å
649P28.3Very low38.5Very low110 Ų110131.7 Ų131.771%0.71474%0.738SS**  -99.8164.6-101.437-33.9000114.3
650S26.2Very low40.6Very low100 Ų100131.2 Ų131.270%0.69972%0.719SS**  trans34.2122148.861.30000120.7V652S650-V652 PolarHBondContact O-N 3.32Å
651L43.5Very low42.9Very low170 Ų170127.6 Ų127.689%0.8968%0.683SS**  -2.5111.2124.4-112.4131000113.6
652V36.7Very low45.4Very low122 Ų122119.2 Ų119.274%0.73964%0.638SS**  trans174124.6132.5171.90000107S650S650-V652 PolarHBondContact O-N 3.32Å
653D42.2Very low47.2Very low148 Ų148119.6 Ų119.679%0.79163%0.629SS**  trans41.589.3163.4-61.2-34.8000119.9Q655D653-Q655 PolarHBondContact O-N 2.77Å
654R48Very low49.3Very low224 Ų224114.2 Ų114.285%0.84560%0.598SS**PPolyproline II helixtrans-68.9120.3151.2-99.9-176.8151.2143.7-4.3108
655Q53.1Low51.7Low181 Ų181107.9 Ų107.985%0.84656%0.559SS**PPolyproline II helixtrans-55.4138.8173.4-75.6-177.6-28.400110.6D653D653-Q655 PolarHBondContact O-N 2.77Å
656P61.2Low54.5Low67 Ų6799.7 Ų99.744%0.43552%0.522SS..PPolyproline II helixtrans-62.5141.9177.824.1-31.1000110.9T658 G673 L675P656-T658 PolarHBondContact O-N 2.93Å; P656-G673 CarbonylContact C-O 3.55Å; P656-G673 VanDerWaalsContact CA-O 3.22Å; P656-G673 WeakPolarHBondContact CA-O 3.09Å; P656-L675 HydrophobicContact CB-CD1 3.71Å; P656-L675 HydrophobicContact CB-CG 3.98Å; P656-L675 HydrophobicContact CG-CD1 4.2Å
657S62.8Low57.2Low39 Ų3995.5 Ų95.527%0.27349%0.493SS..PPolyproline II helixtrans-59.8132.3178.2-175.60000110.5F574 E660 G673F574-S657 WeakPolarHBondContact CD2-O 3.37Å; F574-S657 VanDerWaalsContact CE2-O 3.29Å; F574-S657 WeakPolarHBondContact CE2-O 3.08Å; S657-E660 PolarHBondContact OG-N 2.81Å; S657-E660 PolarHBondContact OG-O 3.43Å; S657-G673 PolarHBondContact N-O 2.77Å
658T63.7Low59.8Low74 Ų7488.8 Ų88.845%0.45447%0.473SS..SBendtrans-104.3-1177.962.90000112.9S577 P656S577-T658 PolarHBondContact N-O 3.32Å; S577-T658 VanDerWaalsContact N-O 3.17Å; S577-T658 VanDerWaalsContact OG-CB 3.27Å; S577-T658 WeakPolarHBondContact OG-CB 3.38Å; S577-T658 PolarHBondContact OG-O 3.29Å; S577-T658 PolarHBondContact OG-OG1 2.82Å; S577-T658 VanDerWaalsContact OG-OG1 3.13Å; P656-T658 PolarHBondContact O-N 2.93Å
659V61.8Low62.5Low76 Ų7681 Ų8146%0.46146%0.459SS..SBendtrans-114.5-29.4-175.7-174.10000111.7A582A582-V659 PolarHBondContact N-O 3.3Å
660E70.9Confident65Low84 Ų8477 Ų7739%0.39343%0.433SS..EExtended strand (participates in β ladder)trans-123.9134.2-179.1-64.1-179.4175.700111.8F574 A582 A584 S657 L674F574-E660 WeakPolarHBondContact CD2-O 3.46Å; F574-E660 VanDerWaalsContact CE2-C 3.44Å; F574-E660 WeakPolarHBondContact CE2-O 3.2Å; A582-E660 VanDerWaalsContact O-CA 3.26Å; A582-E660 WeakPolarHBondContact O-CA 3.38Å; A584-E660 HydrophobicContact CB-CB 4.28Å; S657-E660 PolarHBondContact OG-N 2.81Å; S657-E660 PolarHBondContact OG-O 3.43Å; E660-L674 HydrophobicContact CB-CD2 4.24Å
661Y74.2Confident67.3Low32 Ų3275.2 Ų75.213%0.12542%0.42CS..EExtended strand (participates in β ladder)trans-106.8154.2177.868.9-88.8000111.9P581 A582 P583 A584 P663 K677P581-Y661 HydrophobicContact CB-CD1 4.33Å; P581-Y661 WeakPolarHBondContact O-CE1 3.46Å; A582-Y661 VanDerWaalsContact C-CE1 3.47Å; A582-Y661 VanDerWaalsContact O-CD1 3.3Å; A582-Y661 WeakPolarHBondContact O-CD1 3.48Å; A582-Y661 PolarHBondContact O-N 2.95Å; P583-Y661 HydrophobicContact CB-CE1 4.12Å; P583-Y661 HydrophobicContact CB-CE2 4.11Å; A584-Y661 PolarHBondContact N-O 2.8Å; Y661-P663 HydrophobicContact CE2-CB 4.5Å; Y661-P663 HydrophobicContact CE2-CG 4.48Å; Y661-P663 WeakPolarHBondContact O-CD 3.36Å; Y661-K677 HydrophobicContact CD2-CD 3.64Å; Y661-K677 VanDerWaalsContact CD2-CE 3.49Å; Y661-K677 HydrophobicContact CD2-CG 3.56Å; Y661-K677 HydrophobicContact CE2-CD 3.56Å; Y661-K677 HydrophobicContact CE2-CG 4.06Å; Y661-K677 HydrophobicContact CG-CD 4.18Å; Y661-K677 HydrophobicContact CG-CG 3.87Å; Y661-K677 PolarHBondContact OH-NZ 2.74Å
662L78.1Confident68.7Low2 Ų276.7 Ų76.71%0.0142%0.419CS..BIsolated β-bridgetrans-76.3119.1171.9-174.468.9000109.8G664 T666 C670 L674 L675L662-G664 VanDerWaalsContact C-N 3.29Å; L662-G664 PolarHBondContact O-N 3.19Å; L662-T666 HydrophobicContact CD2-CG2 3.97Å; L662-C670 HydrophobicContact CD1-CB 4.48Å; L662-L674 HydrophobicContact CB-CB 4.23Å; L662-L675 WeakPolarHBondContact CB-O 3.33Å; L662-L675 PolarHBondContact N-O 3.38Å
663P63.6Low70.2Confident73 Ų7372.3 Ų72.347%0.47440%0.398SS..SBendtrans-68.6-26.1-178-22.635.5000114.2P583 Y661P583-P663 HydrophobicContact CB-CG 3.7Å; Y661-P663 HydrophobicContact CE2-CB 4.5Å; Y661-P663 HydrophobicContact CE2-CG 4.48Å; Y661-P663 WeakPolarHBondContact O-CD 3.36Å
664G72.7Confident71.9Confident21 Ų2166.5 Ų66.522%0.21637%0.367CS..SBendtrans-110.6-156.4-179.500000113.4L662L662-G664 VanDerWaalsContact C-N 3.29Å; L662-G664 PolarHBondContact O-N 3.19Å
665M85Confident73.6Confident4 Ų457.1 Ų57.12%0.0233%0.334CS..  trans-90154.8175.7-62.6168.763.800111.3I547 H667 F859 P879 S881 Y882I547-M665 HydrophobicContact CG2-CG 4.17Å; I547-M665 HydrophobicContact CG2-SD 4.19Å; M665-H667 PolarHBondContact O-N 2.79Å; M665-H667 PolarHBondContact O-ND1 2.84Å; M665-F859 HydrophobicContact CB-CD1 3.94Å; M665-F859 HydrophobicContact CB-CE1 3.94Å; M665-F859 HydrophobicContact CE-CD1 4.18Å; M665-F859 HydrophobicContact SD-CE1 4.45Å; M665-P879 HydrophobicContact CE-CB 3.48Å; M665-P879 VanDerWaalsContact CE-CB 3.48Å; M665-P879 HydrophobicContact CE-CG 3.45Å; M665-P879 VanDerWaalsContact CE-CG 3.45Å; M665-S881 VanDerWaalsContact SD-O 3.35Å; M665-Y882 HydrophobicContact CE-CD1 3.97Å; M665-Y882 HydrophobicContact CE-CE1 4.4Å
666T86.1Confident75.1Confident11 Ų1148.8 Ų48.87%0.06730%0.295CS..  trans-63.2125.4173340000112L662 P676 H860 E862L662-T666 HydrophobicContact CD2-CG2 3.97Å; T666-P676 HydrophobicContact CG2-CG 4.47Å; T666-H860 WeakPolarHBondContact CB-O 3.37Å; T666-H860 PolarHBondContact O-N 3.49Å; T666-H860 PolarHBondContact OG1-O 3.25Å; T666-E862 HydrophobicContact CG2-CG 3.72Å; T666-E862 WeakPolarHBondContact CG2-OE1 3.46Å; T666-E862 PolarHBondContact OG1-OE1 2.84Å
667H87.2Confident76.1Confident16 Ų1650.8 Ų50.87%0.07430%0.297CS..BIsolated β-bridgetrans-152.7166.7179.763.7-77.9000112.2M665 A669 C670 P857 I858 F859M665-H667 PolarHBondContact O-N 2.79Å; M665-H667 PolarHBondContact O-ND1 2.84Å; H667-A669 PolarHBondContact O-N 3.04Å; H667-C670 PolarHBondContact CE1-SG 2.64Å; H667-C670 PolarHBondContact ND1-SG 3.11Å; H667-C670 WeakPolarHBondContact O-CB 3.28Å; H667-C670 PolarHBondContact O-N 3.21Å; H667-P857 HydrophobicContact CB-CB 4.16Å; H667-P857 HydrophobicContact CB-CG 4.34Å; H667-P857 VanDerWaalsContact CD2-CB 3.46Å; H667-P857 WeakPolarHBondContact CD2-CB 3.47Å; H667-P857 VanDerWaalsContact CD2-CG 3.47Å; H667-P857 WeakPolarHBondContact CD2-CG 3.48Å; H667-I858 CarbonylContact C-O 3.53Å; H667-I858 WeakPolarHBondContact CA-O 3.44Å; H667-I858 WeakPolarHBondContact CB-O 3.48Å; H667-F859 HydrophobicContact CB-CD1 3.89Å; H667-F859 HydrophobicContact CB-CE1 4.03Å; H667-F859 HydrophobicContact CB-CG 4.15Å; H667-F859 HydrophobicContact CB-CZ 4.42Å
668S85.3Confident77.2Confident73 Ų7350.7 Ų50.751%0.5129%0.292SS..THydrogen-bonded Turntrans-61.1-15-173.163.80000115.9I858S668-I858 PolarHBondContact N-O 2.91Å; S668-I858 PolarHBondContact OG-N 3.15Å
669A81.6Confident78.4Confident73 Ų7348 Ų4860%0.60328%0.276SS*.THydrogen-bonded Turntrans-97-5.1177.200000113.3H667 P857H667-A669 PolarHBondContact O-N 3.04Å; A669-P857 HydrophobicContact CB-CB 4.37Å
670C81.6Confident79.8Confident26 Ų2644.6 Ų44.618%0.17626%0.255CS..SBendtrans-69146.3177.4-72.10000112.7L662 H667L662-C670 HydrophobicContact CD1-CB 4.48Å; H667-C670 PolarHBondContact CE1-SG 2.64Å; H667-C670 PolarHBondContact ND1-SG 3.11Å; H667-C670 WeakPolarHBondContact O-CB 3.28Å; H667-C670 PolarHBondContact O-N 3.21Å
671P75.1Confident80.8Confident63 Ų6340.9 Ų40.941%0.40924%0.238SC..PPolyproline II helixtrans-57.5138.2164.6-22.132.7000111.9G673 L674P671-G673 PolarHBondContact O-N 3.34Å; P671-L674 HydrophobicContact CB-CD1 4.06Å; P671-L674 HydrophobicContact CG-CD1 4.13Å
672K72.2Confident81.7Confident202 Ų20239.8 Ų39.888%0.87824%0.235SC*.THydrogen-bonded Turntrans-67.8129.5179.2-63.3-175.6179.5-176.60110.7
673G68.4Low82.4Confident29 Ų2939.8 Ų39.830%0.29924%0.235SC..THydrogen-bonded Turntrans101.55.1174.700000115.8P656 S657 P671P656-G673 CarbonylContact C-O 3.55Å; P656-G673 VanDerWaalsContact CA-O 3.22Å; P656-G673 WeakPolarHBondContact CA-O 3.09Å; S657-G673 PolarHBondContact N-O 2.77Å; P671-G673 PolarHBondContact O-N 3.34Å
674L78.5Confident83.9Confident27 Ų2736.4 Ų36.414%0.14121%0.213CC..  trans-97.3137.6171.5-64.8173.8000110.8A584 E660 L662 P671A584-L674 HydrophobicContact CB-CD1 3.46Å; A584-L674 VanDerWaalsContact CB-CD1 3.46Å; A584-L674 HydrophobicContact CB-CD2 4.15Å; A584-L674 HydrophobicContact CB-CG 4.45Å; E660-L674 HydrophobicContact CB-CD2 4.24Å; L662-L674 HydrophobicContact CB-CB 4.23Å; P671-L674 HydrophobicContact CB-CD1 4.06Å; P671-L674 HydrophobicContact CG-CD1 4.13Å
675L82.7Confident84.9Confident27 Ų2737.3 Ų37.314%0.14121%0.211CC..  trans-113.1148.1177.5-64.3177.2000110.6P572 F574 P656 L662 E862P572-L675 HydrophobicContact CB-CD1 3.97Å; P572-L675 HydrophobicContact CB-CD2 4.06Å; F574-L675 HydrophobicContact CB-CB 4.08Å; P656-L675 HydrophobicContact CB-CD1 3.71Å; P656-L675 HydrophobicContact CB-CG 3.98Å; P656-L675 HydrophobicContact CG-CD1 4.2Å; L662-L675 WeakPolarHBondContact CB-O 3.33Å; L662-L675 PolarHBondContact N-O 3.38Å; L675-E862 HydrophobicContact CD2-CB 4Å; L675-E862 HydrophobicContact CD2-CG 3.9Å
676P85.1Confident85.2Confident6 Ų637.7 Ų37.74%0.03921%0.213CC..BIsolated β-bridgetrans-79.1160.9175.531.8-31.8000111.9F574 T666 F678 E862F574-P676 PolarHBondContact N-O 3.09Å; T666-P676 HydrophobicContact CG2-CG 4.47Å; P676-F678 VanDerWaalsContact C-N 3.29Å; P676-F678 PolarHBondContact O-N 2.59Å; P676-E862 HydrophobicContact CG-CG 4.02Å; P676-E862 WeakPolarHBondContact CG-OE1 3.46Å
677K82.5Confident85.5Confident109 Ų10938 Ų3847%0.47422%0.218SC..SBendtrans-64.4-30178.1-79.5177.6160.8173.50114.1Y661Y661-K677 HydrophobicContact CD2-CD 3.64Å; Y661-K677 VanDerWaalsContact CD2-CE 3.49Å; Y661-K677 HydrophobicContact CD2-CG 3.56Å; Y661-K677 HydrophobicContact CE2-CD 3.56Å; Y661-K677 HydrophobicContact CE2-CG 4.06Å; Y661-K677 HydrophobicContact CG-CD 4.18Å; Y661-K677 HydrophobicContact CG-CG 3.87Å; Y661-K677 PolarHBondContact OH-NZ 2.74Å
678F86Confident85.6Confident36 Ų3640.3 Ų40.316%0.15824%0.235CC..SBendtrans-143.4149.9-179.855.7-93.2000109.5I547 Q548 H552 P676I547-F678 HydrophobicContact CG2-CE2 4.17Å; I547-F678 HydrophobicContact CG2-CZ 4.02Å; Q548-F678 VanDerWaalsContact CA-CZ 3.41Å; Q548-F678 HydrophobicContact CB-CD1 4.27Å; Q548-F678 HydrophobicContact CB-CE1 3.57Å; Q548-F678 HydrophobicContact CB-CE2 4.37Å; Q548-F678 HydrophobicContact CB-CZ 3.64Å; Q548-F678 HydrophobicContact CG-CD1 3.85Å; Q548-F678 HydrophobicContact CG-CE1 3.68Å; Q548-F678 HydrophobicContact CG-CG 4.38Å; Q548-F678 HydrophobicContact CG-CZ 4.06Å; H552-F678 HydrophobicContact CB-CB 4.33Å; H552-F678 HydrophobicContact CB-CD2 3.71Å; H552-F678 HydrophobicContact CB-CE2 4.3Å; H552-F678 HydrophobicContact CB-CG 4.09Å; P676-F678 VanDerWaalsContact C-N 3.29Å; P676-F678 PolarHBondContact O-N 2.59Å
679S87.9Confident85.8Confident18 Ų1837.5 Ų37.513%0.12622%0.216CC..  trans-79.3128.4174.5-169.90000110.4W681S679-W681 VanDerWaalsContact C-N 3.3Å; S679-W681 PolarHBondContact OG-N 2.89Å; S679-W681 PolarHBondContact OG-O 3.25Å; S679-W681 VanDerWaalsContact OG-O 3.12Å
680S90.6Very high86.1Confident4 Ų442.9 Ų42.93%0.02823%0.226CC..SBendtrans-84.8-7171.4-68.60000113.1N551 R877N551-S680 PolarHBondContact ND2-OG 3.37Å; S680-R877 PolarHBondContact O-NH1 3.29Å
681W92.3Very high86.5Confident6 Ų644.5 Ų44.52%0.02324%0.238CC..  trans-110.3156.6-178.2-57.289.5000109.8F571 S679 P847 V849 P861 L876 F878 P879F571-W681 HydrophobicContact CD2-CB 3.67Å; F571-W681 HydrophobicContact CE2-CB 3.51Å; F571-W681 HydrophobicContact CZ-CB 4.26Å; S679-W681 VanDerWaalsContact C-N 3.3Å; S679-W681 PolarHBondContact OG-N 2.89Å; S679-W681 PolarHBondContact OG-O 3.25Å; S679-W681 VanDerWaalsContact OG-O 3.12Å; W681-P847 HydrophobicContact CH2-CB 4.3Å; W681-P847 HydrophobicContact CZ3-CB 3.91Å; W681-P847 HydrophobicContact CZ3-CG 4.45Å; W681-V849 HydrophobicContact CH2-CG2 3.74Å; W681-V849 HydrophobicContact CZ3-CG2 4.5Å; W681-P861 HydrophobicContact CD2-CB 4.33Å; W681-P861 HydrophobicContact CG-CB 4.05Å; W681-L876 HydrophobicContact CE3-CD1 4.4Å; W681-F878 HydrophobicContact CE3-CD1 4.47Å; W681-F878 HydrophobicContact CH2-CD1 4.05Å; W681-F878 AromaticContact CZ3-CD1 3.47Å; W681-F878 HydrophobicContact CZ3-CD1 3.47Å; W681-F878 VanDerWaalsContact CZ3-CD1 3.47Å; W681-F878 HydrophobicContact CZ3-CE1 4.01Å; W681-F878 HydrophobicContact CZ3-CG 4.28Å; W681-P879 HydrophobicContact CD2-CG 3.86Å; W681-P879 HydrophobicContact CE3-CG 4.26Å; W681-P879 HydrophobicContact CG-CG 4.39Å; W681-P879 HydrophobicContact CH2-CG 4.15Å; W681-P879 HydrophobicContact CZ2-CG 3.74Å; W681-P879 HydrophobicContact CZ3-CG 4.41Å
682S93.3Very high87.3Confident10 Ų1042.4 Ų42.47%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-147.6128.4173.8-178.60000110.4L876 R877S682-L876 CarbonylContact O-C 3.57Å; S682-L876 WeakPolarHBondContact O-CA 3.5Å; S682-R877 PolarHBondContact N-O 2.88Å; S682-R877 PolarHBondContact O-N 3.4Å
683L93.6Very high88.1Confident2 Ų236.2 Ų36.21%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-120.5114.5177.5-179.158.5000109.8I569 F571 L845 V866 L868 W874 V875 L876I569-L683 HydrophobicContact CB-CB 4.37Å; I569-L683 HydrophobicContact CB-CD2 4.04Å; I569-L683 HydrophobicContact CB-CG 4.29Å; I569-L683 HydrophobicContact CD1-CD2 3.77Å; I569-L683 HydrophobicContact CD1-CG 4.36Å; I569-L683 HydrophobicContact CG1-CD2 4.42Å; I569-L683 HydrophobicContact CG2-CD2 4.38Å; I569-L683 PolarHBondContact N-O 3.01Å; F571-L683 HydrophobicContact CE2-CB 4.11Å; F571-L683 HydrophobicContact CZ-CB 4.14Å; L683-L845 HydrophobicContact CD1-CD2 4.25Å; L683-L845 HydrophobicContact CD2-CD2 4.07Å; L683-V866 HydrophobicContact CD2-CG1 3.83Å; L683-L868 HydrophobicContact CD1-CD2 4.39Å; L683-L868 HydrophobicContact CD2-CD2 3.96Å; L683-W874 HydrophobicContact CD1-CB 4.41Å; L683-W874 HydrophobicContact CD1-CE3 4.23Å; L683-W874 HydrophobicContact CG-CE3 4.17Å; L683-V875 WeakPolarHBondContact CA-O 3.41Å; L683-L876 HydrophobicContact CB-CD1 4.32Å; L683-L876 HydrophobicContact CD1-CB 4.15Å
684L93.8Very high88.9Confident1 Ų136.8 Ų36.81%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-122144.1-174.7-62.2175.8000111.2N533 C534 C563 L566 E567 R568 W874 V875N533-L684 HydrophobicContact CB-CD1 3.52Å; C534-L684 HydrophobicContact CB-CD1 4.13Å; C563-L684 HydrophobicContact CB-CD1 4.01Å; L566-L684 HydrophobicContact CD1-CD1 4.24Å; E567-L684 WeakPolarHBondContact O-CA 3.44Å; R568-L684 HydrophobicContact CB-CD2 3.73Å; R568-L684 HydrophobicContact CG-CD2 3.78Å; L684-W874 CarbonylContact O-C 3.33Å; L684-W874 WeakPolarHBondContact O-CA 3.5Å; L684-V875 HydrophobicContact CB-CG1 3.93Å; L684-V875 PolarHBondContact N-O 3.48Å; L684-V875 PolarHBondContact O-N 3.31Å
685K94.1Very high89.1Confident40 Ų4041.3 Ų41.317%0.17422%0.217CC..EExtended strand (participates in β ladder)trans-94.8117.8167.5-162.3-174.4-177.9175.60109.5E567 F873 W874E567-K685 HydrophobicContact CB-CB 4.03Å; E567-K685 HydrophobicContact CB-CD 4.34Å; E567-K685 HydrophobicContact CG-CD 4.45Å; E567-K685 PolarHBondContact O-N 2.9Å; E567-K685 IonicContact OE1-NZ 2.87Å; E567-K685 WeakPolarHBondContact OE2-CD 3.47Å; E567-K685 IonicContact OE2-NZ 2.75Å; E567-K685 PolarHBondContact OE2-NZ 2.89Å; K685-F873 CarbonylContact C-O 3.56Å; K685-F873 WeakPolarHBondContact CA-O 3.48Å; K685-W874 HydrophobicContact CB-CD2 4.12Å; K685-W874 HydrophobicContact CB-CE3 3.76Å; K685-W874 HydrophobicContact CB-CH2 3.84Å; K685-W874 HydrophobicContact CB-CZ2 4.19Å; K685-W874 HydrophobicContact CB-CZ3 3.62Å; K685-W874 HydrophobicContact CD-CH2 3.98Å; K685-W874 HydrophobicContact CD-CZ2 3.82Å; K685-W874 HydrophobicContact CG-CD2 4.13Å; K685-W874 HydrophobicContact CG-CE3 4.28Å; K685-W874 HydrophobicContact CG-CH2 4.12Å; K685-W874 HydrophobicContact CG-CZ2 3.96Å; K685-W874 HydrophobicContact CG-CZ3 4.28Å
686L91.3Very high89.2Confident12 Ų1243.5 Ų43.56%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-78.5-21.7179.9-61.7179.3000113.2C534 R536 L566 F833 F873 V875C534-L686 HydrophobicContact CB-CD2 3.58Å; R536-L686 PolarHBondContact NH2-O 3.15Å; L566-L686 HydrophobicContact CD1-CD2 4.02Å; L686-F833 HydrophobicContact CD1-CD1 4.04Å; L686-F833 HydrophobicContact CD1-CE1 3.89Å; L686-F873 HydrophobicContact CB-CB 4.42Å; L686-F873 HydrophobicContact CB-CD1 3.67Å; L686-F873 HydrophobicContact CB-CE1 4.1Å; L686-F873 HydrophobicContact CB-CG 4.05Å; L686-F873 HydrophobicContact CD1-CD1 3.82Å; L686-F873 HydrophobicContact CD1-CD2 4.25Å; L686-F873 HydrophobicContact CD1-CE1 3.42Å; L686-F873 VanDerWaalsContact CD1-CE1 3.42Å; L686-F873 HydrophobicContact CD1-CE2 3.88Å; L686-F873 HydrophobicContact CD1-CG 4.23Å; L686-F873 HydrophobicContact CD1-CZ 3.45Å; L686-F873 VanDerWaalsContact CD1-CZ 3.45Å; L686-F873 HydrophobicContact CG-CD1 4.34Å; L686-F873 HydrophobicContact CG-CE1 4.38Å; L686-F873 PolarHBondContact N-O 3.44Å; L686-V875 HydrophobicContact CD1-CB 4.16Å; L686-V875 HydrophobicContact CD1-CG1 4.04Å; L686-V875 HydrophobicContact CD2-CG1 3.8Å; L686-V875 HydrophobicContact CG-CB 4.44Å; L686-V875 HydrophobicContact CG-CG1 3.88Å
687G91.4Very high89.4Confident18 Ų1843.5 Ų43.519%0.18623%0.233CC..EExtended strand (participates in β ladder)trans157.4-169.8-177.400000112.4F873G687-F873 PolarHBondContact O-N 3.32Å
688P91.1Very high89.7Confident65 Ų6538.9 Ų38.942%0.42221%0.213SC..  trans-68.3165.5172.729.5-34.8000111.6K690 S691 D871P688-K690 PolarHBondContact O-N 3.39Å; P688-K690 VanDerWaalsContact O-N 3.1Å; P688-S691 VanDerWaalsContact O-CB 3.27Å; P688-S691 WeakPolarHBondContact O-CB 3.27Å; P688-S691 PolarHBondContact O-N 2.86Å; P688-S691 PolarHBondContact O-OG 3.13Å; P688-D871 VanDerWaalsContact CA-O 3.32Å; P688-D871 WeakPolarHBondContact CA-O 3.4Å
689A89.4Confident89.7Confident14 Ų1445.4 Ų45.412%0.11624%0.244CC..G310 helixtrans-58.1-32.8-176.300000112.9S691 Y692 V835 V836 D871A689-S691 PolarHBondContact O-N 2.87Å; A689-Y692 PolarHBondContact O-N 3.04Å; A689-V835 HydrophobicContact CB-CG1 3.92Å; A689-V836 VanDerWaalsContact CB-O 3.23Å; A689-V836 WeakPolarHBondContact CB-O 3.37Å; A689-D871 VanDerWaalsContact CB-OD1 3.22Å; A689-D871 WeakPolarHBondContact CB-OD1 3.37Å; A689-D871 PolarHBondContact N-O 3.36Å; A689-D871 PolarHBondContact N-OD1 2.86Å
690K88.1Confident89.8Confident186 Ų18645.6 Ų45.681%0.80924%0.243SC*.G310 helixtrans-64.5-15.1177-64.3175.7-175.5165.70114.4P688 Y692P688-K690 PolarHBondContact O-N 3.39Å; P688-K690 VanDerWaalsContact O-N 3.1Å; K690-Y692 PolarHBondContact O-N 2.85Å
691S89.3Confident89.8Confident60 Ų6047.9 Ų47.942%0.4226%0.258SS..G310 helixtrans-69.3-18177.564.30000113.1P688 A689 F873P688-S691 VanDerWaalsContact O-CB 3.27Å; P688-S691 WeakPolarHBondContact O-CB 3.27Å; P688-S691 PolarHBondContact O-N 2.86Å; P688-S691 PolarHBondContact O-OG 3.13Å; A689-S691 PolarHBondContact O-N 2.87Å; S691-F873 WeakPolarHBondContact OG-CD1 3.33Å
692Y91.7Very high89.6Confident18 Ų1849 Ų497%0.07127%0.272CS..  trans-94.1125170.7176.7-108.5000111.1A689 K690 C694 L698 L710 F767 V835A689-Y692 PolarHBondContact O-N 3.04Å; K690-Y692 PolarHBondContact O-N 2.85Å; Y692-C694 HydrophobicContact CE1-CB 4.21Å; Y692-L698 HydrophobicContact CD2-CD2 3.94Å; Y692-L698 HydrophobicContact CE2-CD2 4.06Å; Y692-L698 HydrophobicContact CE2-CG 4.46Å; Y692-L710 HydrophobicContact CD1-CD1 4.18Å; Y692-L710 HydrophobicContact CD2-CD1 3.79Å; Y692-L710 HydrophobicContact CD2-CG 4.25Å; Y692-L710 HydrophobicContact CE1-CB 4.06Å; Y692-L710 HydrophobicContact CE1-CD1 4.04Å; Y692-L710 HydrophobicContact CE1-CG 4.25Å; Y692-L710 HydrophobicContact CE2-CB 4.17Å; Y692-L710 HydrophobicContact CE2-CD1 3.65Å; Y692-L710 HydrophobicContact CE2-CG 3.6Å; Y692-L710 HydrophobicContact CG-CD1 4.06Å; Y692-L710 WeakPolarHBondContact OH-CB 3.4Å; Y692-L710 PolarHBondContact OH-N 2.69Å; Y692-F767 HydrophobicContact CD1-CB 4.28Å; Y692-F767 AromaticContact CD1-CD2 3.94Å; Y692-F767 HydrophobicContact CD1-CD2 3.94Å; Y692-F767 HydrophobicContact CD1-CE2 4.41Å; Y692-F767 HydrophobicContact CD1-CG 4.01Å; Y692-F767 HydrophobicContact CE1-CB 4Å; Y692-F767 AromaticContact CE1-CD1 3.75Å; Y692-F767 HydrophobicContact CE1-CD1 3.75Å; Y692-F767 AromaticContact CE1-CD2 3.97Å; Y692-F767 HydrophobicContact CE1-CD2 3.97Å; Y692-F767 HydrophobicContact CE1-CE1 4.18Å; Y692-F767 HydrophobicContact CE1-CE2 4.38Å; Y692-F767 AromaticContact CE1-CG 3.64Å; Y692-F767 HydrophobicContact CE1-CG 3.64Å; Y692-F767 HydrophobicContact CE1-CZ 4.47Å; Y692-V835 HydrophobicContact CD1-CG2 3.92Å; Y692-V835 HydrophobicContact CG-CG2 3.9Å
693N88.6Confident89.6Confident72 Ų7250 Ų5039%0.38528%0.275SS..  trans-110.2116.3174.5-178.4-11.5000110.6H695 T696 G697N693-H695 PolarHBondContact O-N 3.05Å; N693-H695 VanDerWaalsContact O-N 3.15Å; N693-H695 WeakPolarHBondContact OD1-CB 3.37Å; N693-H695 PolarHBondContact OD1-N 3.24Å; N693-H695 PolarHBondContact OD1-ND1 2.92Å; N693-T696 WeakPolarHBondContact CB-OG1 3.29Å; N693-T696 PolarHBondContact O-N 3.44Å; N693-T696 PolarHBondContact O-OG1 3.46Å; N693-G697 PolarHBondContact O-N 2.97Å
694C84.8Confident89.4Confident41 Ų4151.8 Ų51.828%0.27728%0.284SS..THydrogen-bonded Turntrans-64.4-15.9-179.361.90000114.9Y692 F767 G796Y692-C694 HydrophobicContact CE1-CB 4.21Å; C694-F767 HydrophobicContact CB-CE1 3.99Å; C694-F767 HydrophobicContact CB-CZ 3.97Å; C694-G796 VanDerWaalsContact O-CA 3.3Å; C694-G796 WeakPolarHBondContact O-CA 3.37Å
695H83.8Confident89.1Confident123 Ų12358 Ų5857%0.56932%0.324SS*.THydrogen-bonded Turntrans-88.3-28.3177.6-5889.5000113.1N693N693-H695 PolarHBondContact O-N 3.05Å; N693-H695 VanDerWaalsContact O-N 3.15Å; N693-H695 WeakPolarHBondContact OD1-CB 3.37Å; N693-H695 PolarHBondContact OD1-N 3.24Å; N693-H695 PolarHBondContact OD1-ND1 2.92Å
696T85.4Confident88.7Confident72 Ų7257.3 Ų57.344%0.44233%0.329SS..THydrogen-bonded Turntrans-103.5-23.6-179.158.80000112.7N693N693-T696 WeakPolarHBondContact CB-OG1 3.29Å; N693-T696 PolarHBondContact O-N 3.44Å; N693-T696 PolarHBondContact O-OG1 3.46Å
697G88.3Confident88.7Confident6 Ų656.9 Ų56.96%0.06233%0.327CS..  trans74.1-161.7-176.800000112.4N693 S708N693-G697 PolarHBondContact O-N 2.97Å; G697-S708 WeakPolarHBondContact CA-O 3.15Å
698L89.9Confident88.7Confident13 Ų1356.9 Ų56.97%0.06832%0.324CS..  trans-78.4120.8177.3-59.3176000110.9Y692 Q700 F703 S708 L710 I781 F833 F873Y692-L698 HydrophobicContact CD2-CD2 3.94Å; Y692-L698 HydrophobicContact CE2-CD2 4.06Å; Y692-L698 HydrophobicContact CE2-CG 4.46Å; L698-Q700 VanDerWaalsContact C-N 3.33Å; L698-Q700 PolarHBondContact O-N 2.86Å; L698-Q700 VanDerWaalsContact O-N 3.13Å; L698-F703 HydrophobicContact CB-CE2 4.36Å; L698-F703 HydrophobicContact CD1-CE2 4.26Å; L698-F703 HydrophobicContact CD1-CZ 3.8Å; L698-S708 WeakPolarHBondContact CG-O 3.2Å; L698-S708 PolarHBondContact N-O 3.02Å; L698-L710 HydrophobicContact CD1-CD2 4.07Å; L698-L710 HydrophobicContact CD2-CD1 4.46Å; L698-L710 HydrophobicContact CD2-CG 4.49Å; L698-L710 HydrophobicContact CG-CD2 4.45Å; L698-I781 HydrophobicContact CD1-CD1 4.34Å; L698-F833 HydrophobicContact CD1-CD1 4.44Å; L698-F833 HydrophobicContact CD1-CD2 3.84Å; L698-F833 HydrophobicContact CD1-CE1 4.33Å; L698-F833 HydrophobicContact CD1-CE2 3.71Å; L698-F833 HydrophobicContact CD1-CG 4.2Å; L698-F833 HydrophobicContact CD1-CZ 3.98Å; L698-F873 HydrophobicContact CD2-CE1 4.15Å; L698-F873 HydrophobicContact CD2-CZ 3.57Å
699E85.7Confident88.8Confident172 Ų17255 Ų5580%0.80431%0.31SS*.  trans-86.373.1173.3-63.8-171.9148.500110.6
700Q90Very high89Confident23 Ų2354.5 Ų54.511%0.10731%0.305CS..  trans-134.3149.5-178.8-66.5-171.3-3.800110.9C534 G535 R536 L698 F703C534-Q700 PolarHBondContact O-NE2 2.92Å; G535-Q700 PolarHBondContact O-OE1 2.97Å; R536-Q700 HydrophobicContact CG-CG 4.35Å; L698-Q700 VanDerWaalsContact C-N 3.33Å; L698-Q700 PolarHBondContact O-N 2.86Å; L698-Q700 VanDerWaalsContact O-N 3.13Å; Q700-F703 HydrophobicContact CB-CD2 4.04Å; Q700-F703 HydrophobicContact CB-CE2 3.81Å
701P90.4Very high89.2Confident52 Ų5245.6 Ų45.634%0.33827%0.266SS..THydrogen-bonded Turntrans-69.7154.7-178.529.7-35.8000112.1R536 Q538 R779R536-P701 WeakPolarHBondContact O-CD 3.37Å; Q538-P701 HydrophobicContact CG-CG 4.35Å; P701-R779 WeakPolarHBondContact O-CD 3.4Å; P701-R779 PolarHBondContact O-NH1 2.81Å
702G88.8Confident89.3Confident30 Ų3043.9 Ų43.931%0.30925%0.253SS..THydrogen-bonded Turntrans89-9.817100000115.8R778 R779G702-R778 CarbonylContact O-C 3.57Å; G702-R778 WeakPolarHBondContact O-CA 3.29Å; G702-R779 PolarHBondContact O-N 2.93Å
703F91.8Very high89.3Confident31 Ų3144.6 Ų44.614%0.13626%0.256CS..BIsolated β-bridgetrans-66.9134.7179.4-82.4-83.5000112.9L698 Q700 E771 R779 I781L698-F703 HydrophobicContact CB-CE2 4.36Å; L698-F703 HydrophobicContact CD1-CE2 4.26Å; L698-F703 HydrophobicContact CD1-CZ 3.8Å; Q700-F703 HydrophobicContact CB-CD2 4.04Å; Q700-F703 HydrophobicContact CB-CE2 3.81Å; F703-E771 HydrophobicContact CE1-CG 4.03Å; F703-E771 HydrophobicContact CZ-CG 3.9Å; F703-R779 CarbonylContact C-O 3.54Å; F703-R779 VanDerWaalsContact CA-O 3.27Å; F703-R779 WeakPolarHBondContact CA-O 3.28Å; F703-R779 HydrophobicContact CD1-CB 4.11Å; F703-R779 HydrophobicContact CD2-CB 4.44Å; F703-R779 HydrophobicContact CE1-CB 4.21Å; F703-R779 VanDerWaalsContact CE2-CZ 3.44Å; F703-R779 HydrophobicContact CG-CB 4.23Å; F703-R779 HydrophobicContact CZ-CB 4.44Å; F703-I781 HydrophobicContact CE1-CD1 3.91Å; F703-I781 HydrophobicContact CE1-CG1 3.91Å; F703-I781 HydrophobicContact CZ-CD1 4.27Å
704L89.9Confident89.3Confident38 Ų3845.8 Ų45.820%0.19926%0.262CS..PPolyproline II helixtrans-63.5147.4170.9-61.7177.2000109.8G706 S707 R778 R779 F780 P816L704-G706 PolarHBondContact O-N 2.91Å; L704-S707 WeakPolarHBondContact CB-OG 3.34Å; L704-S707 PolarHBondContact N-OG 3.3Å; L704-S707 WeakPolarHBondContact O-CB 3.27Å; L704-S707 PolarHBondContact O-N 2.82Å; L704-S707 PolarHBondContact O-OG 3.4Å; L704-R778 HydrophobicContact CD2-CB 4.34Å; L704-R779 PolarHBondContact N-O 2.67Å; L704-F780 HydrophobicContact CD1-CB 4.2Å; L704-F780 HydrophobicContact CD1-CD1 3.96Å; L704-F780 HydrophobicContact CD1-CG 4.35Å; L704-F780 HydrophobicContact CG-CB 4.5Å; L704-P816 HydrophobicContact CD1-CB 4.07Å; L704-P816 HydrophobicContact CD1-CG 4.01Å
705P86.6Confident89.3Confident131 Ų13144.7 Ų44.785%0.85125%0.254SS*.THydrogen-bonded Turntrans-52.7125.7-178.7-27.234.8000112.7S707P705-S707 VanDerWaalsContact C-N 3.31Å; P705-S707 PolarHBondContact O-N 2.83Å
706G86.3Confident89.2Confident27 Ų2743.8 Ų43.828%0.27826%0.256SS..THydrogen-bonded Turntrans76.28.2177.700000115.9L704 A791L704-G706 PolarHBondContact O-N 2.91Å; G706-A791 PolarHBondContact O-N 3.34Å
707S90.6Very high88.8Confident2 Ų241.5 Ų41.51%0.01424%0.241CC..  trans-109.75.5-175.374.70000115.3L704 P705 F709 F780 I781 V789L704-S707 WeakPolarHBondContact CB-OG 3.34Å; L704-S707 PolarHBondContact N-OG 3.3Å; L704-S707 WeakPolarHBondContact O-CB 3.27Å; L704-S707 PolarHBondContact O-N 2.82Å; L704-S707 PolarHBondContact O-OG 3.4Å; P705-S707 VanDerWaalsContact C-N 3.31Å; P705-S707 PolarHBondContact O-N 2.83Å; S707-F709 VanDerWaalsContact C-N 3.31Å; S707-F709 PolarHBondContact O-N 3.07Å; S707-F780 WeakPolarHBondContact OG-CB 3.3Å; S707-I781 WeakPolarHBondContact O-CB 3.49Å; S707-I781 WeakPolarHBondContact O-CG1 3.4Å; S707-I781 PolarHBondContact O-N 2.88Å; S707-V789 WeakPolarHBondContact CA-O 3.27Å; S707-V789 WeakPolarHBondContact CB-O 3.46Å
708S91.9Very high87.4Confident19 Ų1951.6 Ų51.613%0.13328%0.277CS..  trans-89.718-178.3560000113.9G697 L698G697-S708 WeakPolarHBondContact CA-O 3.15Å; L698-S708 WeakPolarHBondContact CG-O 3.2Å; L698-S708 PolarHBondContact N-O 3.02Å
709F93.5Very high85.5Confident26 Ų2655.1 Ų55.111%0.11430%0.303CS..PPolyproline II helixtrans-103.6131.2-174.6-61.7-92.9000111.4S707 V789 A791 A797S707-F709 VanDerWaalsContact C-N 3.31Å; S707-F709 PolarHBondContact O-N 3.07Å; F709-V789 HydrophobicContact CB-CG1 4.05Å; F709-A791 HydrophobicContact CD1-CB 4.37Å; F709-A791 HydrophobicContact CD2-CB 3.37Å; F709-A791 HydrophobicContact CE1-CB 4.44Å; F709-A791 HydrophobicContact CE2-CB 3.48Å; F709-A791 VanDerWaalsContact CE2-CB 3.48Å; F709-A791 HydrophobicContact CG-CB 3.86Å; F709-A791 HydrophobicContact CZ-CB 4.03Å; F709-A797 HydrophobicContact CB-CB 3.94Å
710L93.1Very high83.4Confident2 Ų258.5 Ų58.51%0.0131%0.309CS..PPolyproline II helixtrans-77.7151.1172.5-51.7-179.3000110.9Y692 L698 F767 I781 F833 V835 F873Y692-L710 HydrophobicContact CD1-CD1 4.18Å; Y692-L710 HydrophobicContact CD2-CD1 3.79Å; Y692-L710 HydrophobicContact CD2-CG 4.25Å; Y692-L710 HydrophobicContact CE1-CB 4.06Å; Y692-L710 HydrophobicContact CE1-CD1 4.04Å; Y692-L710 HydrophobicContact CE1-CG 4.25Å; Y692-L710 HydrophobicContact CE2-CB 4.17Å; Y692-L710 HydrophobicContact CE2-CD1 3.65Å; Y692-L710 HydrophobicContact CE2-CG 3.6Å; Y692-L710 HydrophobicContact CG-CD1 4.06Å; Y692-L710 WeakPolarHBondContact OH-CB 3.4Å; Y692-L710 PolarHBondContact OH-N 2.69Å; L698-L710 HydrophobicContact CD1-CD2 4.07Å; L698-L710 HydrophobicContact CD2-CD1 4.46Å; L698-L710 HydrophobicContact CD2-CG 4.49Å; L698-L710 HydrophobicContact CG-CD2 4.45Å; L710-F767 HydrophobicContact CB-CB 3.83Å; L710-F767 HydrophobicContact CD1-CB 4.11Å; L710-I781 HydrophobicContact CD2-CD1 4.39Å; L710-F833 HydrophobicContact CD1-CB 4.1Å; L710-F833 HydrophobicContact CD2-CB 3.58Å; L710-F833 HydrophobicContact CD2-CD2 4.29Å; L710-F833 HydrophobicContact CD2-CG 4.17Å; L710-V835 HydrophobicContact CD1-CG2 3.75Å; L710-F873 HydrophobicContact CD1-CE2 4.18Å; L710-F873 HydrophobicContact CD1-CZ 4.48Å
711L92.9Very high80.8Confident0 Ų062.6 Ų62.60%034%0.34CS..EExtended strand (participates in β ladder)trans-85.2134.2-178.9-54.1172.4000110.6F767 V768 V789 A797 D799 A801 V804L711-F767 CarbonylContact O-C 3.6Å; L711-F767 VanDerWaalsContact O-CA 3.28Å; L711-F767 WeakPolarHBondContact O-CA 3.36Å; L711-V768 WeakPolarHBondContact CB-O 3.49Å; L711-V768 PolarHBondContact N-O 3.3Å; L711-V768 PolarHBondContact O-N 2.87Å; L711-V789 HydrophobicContact CD2-CG2 3.78Å; L711-A797 HydrophobicContact CD2-CB 4.16Å; L711-D799 HydrophobicContact CD2-CB 4.18Å; L711-D799 WeakPolarHBondContact CD2-O 3.38Å; L711-A801 HydrophobicContact CB-CB 3.85Å; L711-V804 HydrophobicContact CD1-CB 4.44Å; L711-V804 HydrophobicContact CD1-CG1 3.91Å; L711-V804 HydrophobicContact CD1-CG2 3.59Å
712P91.8Very high78.6Confident23 Ų2369.7 Ų69.715%0.14937%0.368CS..EExtended strand (participates in β ladder)trans-67.9135.4174.727.4-35000112F767 D799 A801P712-F767 HydrophobicContact CB-CD1 4.25Å; P712-F767 HydrophobicContact CB-CE1 4.01Å; P712-D799 WeakPolarHBondContact CD-O 3.38Å; P712-A801 WeakPolarHBondContact O-CB 3.44Å; P712-A801 PolarHBondContact O-N 3.45Å
713W91.4Very high76.4Confident34 Ų3476.9 Ų76.913%0.12939%0.394CS..EExtended strand (participates in β ladder)trans-119.699.8173.7-170.617000109.5L715 A766 V768 A801 L805 I843 L908 A910W713-L715 HydrophobicContact CD2-CD1 4.35Å; W713-L715 HydrophobicContact CD2-CD2 3.97Å; W713-L715 HydrophobicContact CD2-CG 4.21Å; W713-L715 VanDerWaalsContact CE2-CD2 3.44Å; W713-L715 HydrophobicContact CE3-CD1 4.31Å; W713-L715 HydrophobicContact CG-CD2 4.39Å; W713-L715 HydrophobicContact CG-CG 4.41Å; W713-L715 HydrophobicContact CH2-CD2 4.31Å; W713-L715 HydrophobicContact CZ2-CD2 3.65Å; W713-L715 HydrophobicContact CZ3-CD1 4.5Å; W713-A766 HydrophobicContact CB-CB 4.15Å; W713-A766 HydrophobicContact CE3-CB 4Å; W713-A766 PolarHBondContact N-O 3.37Å; W713-A766 PolarHBondContact O-N 2.78Å; W713-V768 HydrophobicContact CE3-CG2 3.92Å; W713-A801 HydrophobicContact CB-CB 3.74Å; W713-A801 HydrophobicContact CG-CB 4.22Å; W713-L805 HydrophobicContact CD2-CD1 3.63Å; W713-L805 VanDerWaalsContact CE2-CD1 3.49Å; W713-L805 HydrophobicContact CE3-CD1 4.05Å; W713-L805 HydrophobicContact CG-CD1 4.06Å; W713-L805 HydrophobicContact CH2-CD1 4.21Å; W713-L805 HydrophobicContact CZ2-CD1 3.8Å; W713-L805 HydrophobicContact CZ3-CD1 4.33Å; W713-I843 HydrophobicContact CZ3-CD1 4.1Å; W713-I843 HydrophobicContact CZ3-CG2 4.2Å; W713-L908 HydrophobicContact CH2-CB 4.16Å; W713-L908 HydrophobicContact CZ3-CB 4.24Å; W713-A910 HydrophobicContact CH2-CB 3.58Å; W713-A910 HydrophobicContact CZ2-CB 3.84Å; W713-A910 HydrophobicContact CZ3-CB 4.32Å
714D88.6Confident73.8Confident97 Ų9783.2 Ų83.252%0.51943%0.429SS..EExtended strand (participates in β ladder)trans-81.3120177.3-68-37.7000109.9R765D714-R765 IonicContact OD1-CZ 3.45Å; D714-R765 VanDerWaalsContact OD1-CZ 3.25Å; D714-R765 IonicContact OD1-NE 2.83Å; D714-R765 PolarHBondContact OD1-NE 3.47Å; D714-R765 IonicContact OD1-NH2 3.55Å; D714-R765 PolarHBondContact OD1-NH2 2.75Å; D714-R765 IonicContact OD2-NH2 2.75Å; D714-R765 PolarHBondContact OD2-NH2 3.13Å
715L85.3Confident71.5Confident18 Ų1886.3 Ų86.39%0.09446%0.46CS..EExtended strand (participates in β ladder)trans-113132.2-177.3-67.5171.1000110W713 A763 A764 A766 L841 I843 A910W713-L715 HydrophobicContact CD2-CD1 4.35Å; W713-L715 HydrophobicContact CD2-CD2 3.97Å; W713-L715 HydrophobicContact CD2-CG 4.21Å; W713-L715 VanDerWaalsContact CE2-CD2 3.44Å; W713-L715 HydrophobicContact CE3-CD1 4.31Å; W713-L715 HydrophobicContact CG-CD2 4.39Å; W713-L715 HydrophobicContact CG-CG 4.41Å; W713-L715 HydrophobicContact CH2-CD2 4.31Å; W713-L715 HydrophobicContact CZ2-CD2 3.65Å; W713-L715 HydrophobicContact CZ3-CD1 4.5Å; L715-A763 CarbonylContact O-C 3.58Å; L715-A763 WeakPolarHBondContact O-CA 3.48Å; L715-A764 WeakPolarHBondContact CB-O 3.29Å; L715-A764 PolarHBondContact N-O 3.3Å; L715-A764 PolarHBondContact O-N 3Å; L715-A766 HydrophobicContact CD1-CB 4.21Å; L715-L841 HydrophobicContact CB-CD1 4.04Å; L715-L841 HydrophobicContact CB-CD2 4.46Å; L715-L841 HydrophobicContact CD1-CD1 3.55Å; L715-L841 HydrophobicContact CG-CD1 4.44Å; L715-I843 HydrophobicContact CD1-CD1 4.16Å; L715-A910 HydrophobicContact CD1-CB 3.81Å; L715-A910 HydrophobicContact CD2-CB 3.49Å; L715-A910 VanDerWaalsContact CD2-CB 3.49Å; L715-A910 HydrophobicContact CG-CB 4.3Å
716V81.6Confident68.9Low103 Ų10383.1 Ų83.162%0.62445%0.451SS*.EExtended strand (participates in β ladder)trans-91.6125.7179.2-178.50000109.7R718 D762V716-R718 HydrophobicContact CG1-CG 4.39Å; V716-D762 WeakPolarHBondContact CA-O 3.41Å
717I76.7Confident66.8Low24 Ų2488 Ų8812%0.12348%0.478CS..  trans-96.3105.5175.7-55.6171.8000107.1S719 D762 A764 A839 P840 L841 T912I717-S719 PolarHBondContact O-N 2.85Å; I717-D762 PolarHBondContact N-O 2.86Å; I717-A764 HydrophobicContact CD1-CB 3.83Å; I717-A764 HydrophobicContact CG1-CB 4.4Å; I717-A839 HydrophobicContact CD1-CB 4.26Å; I717-P840 HydrophobicContact CD1-CG 4.43Å; I717-P840 HydrophobicContact CG2-CG 4.32Å; I717-L841 HydrophobicContact CG1-CD2 4.04Å; I717-L841 HydrophobicContact CG1-CG 4.46Å; I717-T912 HydrophobicContact CG2-CG2 4.37Å
718R58.7Low64.1Low218 Ų21892.1 Ų92.182%0.82351%0.512SS*.  trans-86.3108.4176-73-175.6177.4169.5-0.6109.8V716V716-R718 HydrophobicContact CG1-CG 4.39Å
719S50.4Low61.3Low87 Ų8799.3 Ų99.361%0.60854%0.544SS*.  trans-111.596.3169.254.30000110.2I717I717-S719 PolarHBondContact O-N 2.85Å
720R41.5Very low58.9Low244 Ų244102.4 Ų102.492%0.92157%0.566SS**  trans-148.9128.1159.2-84.6-160.2175.3-174.7-5.1111.2
721S35.8Very low56Low109 Ų109109.4 Ų109.476%0.76260%0.603SS**  trans-77.6139.8165.444.70000110.5E723S721-E723 VanDerWaalsContact C-N 3.27Å; S721-E723 PolarHBondContact O-N 3.23Å
722E43.6Very low53Low200 Ų200116.8 Ų116.894%0.93564%0.642SS**SBendtrans-81.435.8-178.2-74.2-174.913000114.5
723E41.7Very low50Low181 Ų181119.2 Ų119.285%0.84667%0.672SS**  trans-130.673.4179.2-74.1-174.1141.800111.3S721S721-E723 VanDerWaalsContact C-N 3.27Å; S721-E723 PolarHBondContact O-N 3.23Å
724D38.1Very low46.9Very low165 Ų165121 Ų12188%0.88270%0.7SS**  trans-160.166.6149.3-156.716.2000109.4
725A41.5Very low44.2Very low103 Ų103123.3 Ų123.385%0.85172%0.718SS**  trans-103.990.4168.400000108.4
726G32.4Very low41.7Very low64 Ų64127 Ų12766%0.6675%0.752SS**  trans-79.4150.3164.900000111.6
727P41.9Very low39.2Very low128 Ų128127.6 Ų127.683%0.83176%0.76SS**  trans-93.3148.9-153.235.7-34.3000115.4
728A34.5Very low37.2Very low89 Ų89137.7 Ų137.774%0.73680%0.797SS**  trans39.6117.5140.200000118.5
729E32.7Very low36Very low171 Ų171133.3 Ų133.380%0.79980%0.796SS**  15617870.5-92.2-94.1121.300106.7
730P42.1Very low35Very low91 Ų91132.9 Ų132.959%0.59180%0.798SS**  cis-133.1172.2-46.232.1-13.1000114.4
731L33Very low35.1Very low149 Ų149126.8 Ų126.878%0.7879%0.79SS**  trans35.6125.3153.9-7996.6000120.6
732D30.1Very low35Very low155 Ų155129 Ų12983%0.82979%0.794SS**  -177.9145.185.9-126.8-19.1000114.3
733G28.1Very low34.4Very low74 Ų74129.2 Ų129.276%0.76379%0.791SS**  trans78.1106.8142.500000121.5
734G27.8Very low34.2Very low70 Ų70128.1 Ų128.172%0.72279%0.791SS**  117.891121.900000120
735T29.9Very low34.2Very low146 Ų146126.3 Ų126.390%0.89679%0.788SS**  trans58.8121.2132.68.40000122
736A34.2Very low33.8Very low97 Ų97128.3 Ų128.380%0.80279%0.79SS**  trans-52.6141.8159.400000113.8
737S29.6Very low33.9Very low115 Ų115128.3 Ų128.380%0.80479%0.79SS**  trans-168.8140.4133500000111.5
738W32.9Very low33.5Very low236 Ų236132.6 Ų132.689%0.89480%0.796SS**  trans-55.9165.1171.3-72.583.9000112.9
739P33.7Very low33.4Very low125 Ų125140.5 Ų140.581%0.81281%0.807SS**  -141139.4106.634.1-19.3000114.7
740A30.5Very low33.3Very low78 Ų78136.3 Ų136.365%0.64581%0.809SS**  trans-89-171.9151.700000109.1
741P42.5Very low32.7Very low117 Ų117136 Ų13676%0.7682%0.822SS**  -117176.5-75.132.5-15.8000111.7
742N33.8Very low32.6Very low155 Ų155133.9 Ų133.983%0.82983%0.826SS**  trans75.694175.3-77.8-11.2000119
743K32.5Very low32.8Very low205 Ų205130 Ų13089%0.89182%0.823SS**  trans-149.6118.2131.8-71-165.3-179.7172.70109.7
744N37.5Very low33.4Very low158 Ų158132.7 Ų132.785%0.84583%0.827SS**  trans-66.4149.2161.3-76.5-15.7000109.3
745P37.6Very low33.5Very low126 Ų126133.5 Ų133.582%0.81884%0.836SS**  trans-129.7142.9131.128.4-13.3000113.1
746V33Very low34.1Very low145 Ų145137.9 Ų137.988%0.87984%0.836SS**  trans-67.5134.5177.8166.80000111.4
747G33.9Very low34.3Very low65 Ų65138.5 Ų138.567%0.6783%0.834SS**  trans79.2109.4131.800000119.8
748K33.6Very low34.8Very low217 Ų217144.7 Ų144.794%0.94384%0.84SS**  -166.4131.1120.5-115171.5179175.40111.9
749R33.5Very low35.3Very low256 Ų256142.7 Ų142.797%0.96683%0.832SS**  trans-76.9147.6170.3-78.1177.9175.1176.7-1.7110.4
750G29.3Very low35.9Very low83 Ų83147.3 Ų147.386%0.85683%0.833SS**  trans123.1121.5149.500000114.6
751G29.9Very low36.8Very low84 Ų84149.6 Ų149.687%0.86684%0.835SS**  trans145.4118.3163.900000114
752A31.8Very low37.9Very low105 Ų105147.6 Ų147.687%0.86882%0.818SS**  trans-80.7136.9-172.100000114.7
753G32.6Very low39.7Very low74 Ų74143.3 Ų143.376%0.76380%0.803SS**  trans55.8176148.600000120.8
754P41.3Very low42.2Very low130 Ų130134 Ų13484%0.84477%0.765SS**  -124.4131-60.533.2-19.3000111.3
755G30.4Very low44.6Very low87 Ų87133.1 Ų133.190%0.89775%0.75SS**  trans-101.272.8173.200000112.6S757G755-S757 PolarHBondContact O-N 3.23Å
756R42.7Very low47.2Very low238 Ų238127.1 Ų127.190%0.89871%0.711SS**  trans-76.7108162.6-82.9-179.4173.4176.8-1.2108.1
757S38.4Very low50.1Low110 Ų110121.8 Ų121.877%0.76968%0.676SS**  trans176.374142.4-165.60000110.9G755G755-S757 PolarHBondContact O-N 3.23Å
758R39.3Very low52.9Low244 Ų244118.7 Ų118.792%0.92164%0.644SS**SBendtrans-96.9127.5137.1-85.1-175.2176172.9-1.2104.2R760R758-R760 PolarHBondContact O-N 3.12Å
759R42.9Very low55.8Low194 Ų194108.4 Ų108.473%0.73260%0.599SS**  trans-46.9126.7-177.5-67.1-176.1-179.7-166.4-0.8109.2D761R759-D761 PolarHBondContact O-N 3.3Å
760R46.8Very low58.8Low222 Ų22296.2 Ų96.284%0.83855%0.554SS**G310 helixtrans-72.3-4179.4-151.8-175.4-125.1-137.70.7111.8R758R758-R760 PolarHBondContact O-N 3.12Å
761D50.5Low61.9Low127 Ų12792.3 Ų92.368%0.67951%0.513SS*.G310 helixtrans-87.7-7.8-171.8-55.8-36.6000113.8R759R759-D761 PolarHBondContact O-N 3.3Å
762D64.3Low65Low75 Ų7588.3 Ų88.340%0.40147%0.472SS..G310 helixtrans-101.1-1.1-176-64-20.9000113.9V716 I717V716-D762 WeakPolarHBondContact CA-O 3.41Å; I717-D762 PolarHBondContact N-O 2.86Å
763A72.7Confident67.9Low64 Ų6484 Ų8453%0.52943%0.434SS..EExtended strand (participates in β ladder)trans-143.9126.3-178.300000113.7L715L715-A763 CarbonylContact O-C 3.58Å; L715-A763 WeakPolarHBondContact O-CA 3.48Å
764A84.3Confident70.7Confident11 Ų1180.9 Ų80.99%0.09140%0.4CS..EExtended strand (participates in β ladder)trans-108.5146.2172.800000110.8L715 I717 P837 A839 L841L715-A764 WeakPolarHBondContact CB-O 3.29Å; L715-A764 PolarHBondContact N-O 3.3Å; L715-A764 PolarHBondContact O-N 3Å; I717-A764 HydrophobicContact CD1-CB 3.83Å; I717-A764 HydrophobicContact CG1-CB 4.4Å; A764-P837 HydrophobicContact CB-CG 4.09Å; A764-A839 HydrophobicContact CB-CB 3.64Å; A764-L841 HydrophobicContact CB-CD1 3.51Å; A764-L841 HydrophobicContact CB-CG 4.44Å
765R88.5Confident72.8Confident139 Ų13976.9 Ų76.953%0.52538%0.381SS..EExtended strand (participates in β ladder)trans-114.1112.6-175.7179.4171.7-70.3177.7-5.4110.8D714 F767D714-R765 IonicContact OD1-CZ 3.45Å; D714-R765 VanDerWaalsContact OD1-CZ 3.25Å; D714-R765 IonicContact OD1-NE 2.83Å; D714-R765 PolarHBondContact OD1-NE 3.47Å; D714-R765 IonicContact OD1-NH2 3.55Å; D714-R765 PolarHBondContact OD1-NH2 2.75Å; D714-R765 IonicContact OD2-NH2 2.75Å; D714-R765 PolarHBondContact OD2-NH2 3.13Å; R765-F767 HydrophobicContact CG-CE2 4.2Å; R765-F767 HydrophobicContact CG-CZ 4.15Å
766A91.5Very high75.6Confident0 Ų078.8 Ų78.80%036%0.362CS..EExtended strand (participates in β ladder)trans-93.9169.7168.900000110.8W713 L715 V835 I843W713-A766 HydrophobicContact CB-CB 4.15Å; W713-A766 HydrophobicContact CE3-CB 4Å; W713-A766 PolarHBondContact N-O 3.37Å; W713-A766 PolarHBondContact O-N 2.78Å; L715-A766 HydrophobicContact CD1-CB 4.21Å; A766-V835 VanDerWaalsContact CA-O 3.27Å; A766-V835 WeakPolarHBondContact CA-O 3.19Å; A766-V835 VanDerWaalsContact CB-O 3.23Å; A766-V835 WeakPolarHBondContact CB-O 3.43Å; A766-I843 HydrophobicContact CB-CD1 4.23Å
767F93.3Very high77.8Confident33 Ų3367.6 Ų67.615%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-131.8140.2171.5-63.6-92.7000111.5Y692 C694 L710 L711 P712 R765 V834 V835Y692-F767 HydrophobicContact CD1-CB 4.28Å; Y692-F767 AromaticContact CD1-CD2 3.94Å; Y692-F767 HydrophobicContact CD1-CD2 3.94Å; Y692-F767 HydrophobicContact CD1-CE2 4.41Å; Y692-F767 HydrophobicContact CD1-CG 4.01Å; Y692-F767 HydrophobicContact CE1-CB 4Å; Y692-F767 AromaticContact CE1-CD1 3.75Å; Y692-F767 HydrophobicContact CE1-CD1 3.75Å; Y692-F767 AromaticContact CE1-CD2 3.97Å; Y692-F767 HydrophobicContact CE1-CD2 3.97Å; Y692-F767 HydrophobicContact CE1-CE1 4.18Å; Y692-F767 HydrophobicContact CE1-CE2 4.38Å; Y692-F767 AromaticContact CE1-CG 3.64Å; Y692-F767 HydrophobicContact CE1-CG 3.64Å; Y692-F767 HydrophobicContact CE1-CZ 4.47Å; C694-F767 HydrophobicContact CB-CE1 3.99Å; C694-F767 HydrophobicContact CB-CZ 3.97Å; L710-F767 HydrophobicContact CB-CB 3.83Å; L710-F767 HydrophobicContact CD1-CB 4.11Å; L711-F767 CarbonylContact O-C 3.6Å; L711-F767 VanDerWaalsContact O-CA 3.28Å; L711-F767 WeakPolarHBondContact O-CA 3.36Å; P712-F767 HydrophobicContact CB-CD1 4.25Å; P712-F767 HydrophobicContact CB-CE1 4.01Å; R765-F767 HydrophobicContact CG-CE2 4.2Å; R765-F767 HydrophobicContact CG-CZ 4.15Å; F767-V834 CarbonylContact O-C 3.57Å; F767-V834 WeakPolarHBondContact O-CA 3.19Å; F767-V835 HydrophobicContact CB-CB 3.96Å; F767-V835 HydrophobicContact CB-CG2 4.02Å; F767-V835 HydrophobicContact CD2-CB 4.28Å; F767-V835 HydrophobicContact CD2-CG1 4.37Å; F767-V835 PolarHBondContact N-O 3.28Å; F767-V835 VanDerWaalsContact N-O 3.17Å; F767-V835 PolarHBondContact O-N 2.68Å
768V94.3Very high80.3Confident0 Ų064.8 Ų64.80%029%0.293CS..EExtended strand (participates in β ladder)trans-134.7140.3-177.7-176.80000110.7L711 W713 F770 A801 L805 L832 F833 L908L711-V768 WeakPolarHBondContact CB-O 3.49Å; L711-V768 PolarHBondContact N-O 3.3Å; L711-V768 PolarHBondContact O-N 2.87Å; W713-V768 HydrophobicContact CE3-CG2 3.92Å; V768-F770 HydrophobicContact CG1-CE2 4.21Å; V768-A801 HydrophobicContact CB-CB 4.19Å; V768-L805 HydrophobicContact CG1-CD2 4.23Å; V768-L832 HydrophobicContact CG1-CD1 3.65Å; V768-F833 CarbonylContact C-O 3.49Å; V768-F833 VanDerWaalsContact CA-O 3.3Å; V768-F833 WeakPolarHBondContact CA-O 3.46Å; V768-L908 HydrophobicContact CG1-CD1 3.9Å; V768-L908 HydrophobicContact CG2-CD1 3.88Å
769G94.3Very high82.8Confident0 Ų053.2 Ų53.20%025%0.249CC..EExtended strand (participates in β ladder)trans-147.1124.4173.900000113.2L832 F833G769-L832 WeakPolarHBondContact O-CA 3.42Å; G769-F833 PolarHBondContact N-O 3.34Å; G769-F833 PolarHBondContact O-N 2.96Å
770F95.1Very high85.2Confident1 Ų144.2 Ų44.20%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-87.1115.1171.1-71.7-90.3000109.3V768 Y772 I781 S782 V804 L805 M809 L829 L832 I907V768-F770 HydrophobicContact CG1-CE2 4.21Å; F770-Y772 HydrophobicContact CB-CE2 4.44Å; F770-I781 CarbonylContact O-C 3.38Å; F770-I781 WeakPolarHBondContact O-CA 3.3Å; F770-S782 PolarHBondContact O-N 3.13Å; F770-V804 HydrophobicContact CD2-CB 3.78Å; F770-V804 HydrophobicContact CD2-CG1 4.45Å; F770-V804 HydrophobicContact CD2-CG2 3.79Å; F770-V804 HydrophobicContact CE2-CB 3.72Å; F770-V804 HydrophobicContact CE2-CG2 3.66Å; F770-L805 HydrophobicContact CE2-CD2 4.39Å; F770-M809 HydrophobicContact CB-CE 4.25Å; F770-M809 HydrophobicContact CD1-CB 4.43Å; F770-M809 HydrophobicContact CD1-CG 4.12Å; F770-M809 HydrophobicContact CD2-CG 4.34Å; F770-M809 HydrophobicContact CE1-CB 4.45Å; F770-M809 HydrophobicContact CE1-CG 4.01Å; F770-M809 HydrophobicContact CE2-CG 4.25Å; F770-M809 HydrophobicContact CG-CE 4.32Å; F770-M809 HydrophobicContact CG-CG 4.27Å; F770-M809 HydrophobicContact CZ-CG 4.06Å; F770-L829 HydrophobicContact CB-CD1 3.69Å; F770-L829 HydrophobicContact CD1-CD1 3.96Å; F770-L829 HydrophobicContact CD1-CD2 4.04Å; F770-L829 HydrophobicContact CG-CD1 4.33Å; F770-L832 HydrophobicContact CD1-CD1 3.98Å; F770-L832 HydrophobicContact CD2-CD1 4.18Å; F770-L832 HydrophobicContact CE1-CD1 3.86Å; F770-L832 HydrophobicContact CE2-CD1 4.05Å; F770-L832 HydrophobicContact CG-CD1 4.16Å; F770-L832 HydrophobicContact CZ-CD1 3.9Å; F770-I907 HydrophobicContact CE1-CG2 4.18Å; F770-I907 HydrophobicContact CZ-CG2 3.73Å
771E95.6Very high87.5Confident0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-101.3124-173.9-165.9-142.213100111.8F703 R779 I781 L829 A830 R831 F833F703-E771 HydrophobicContact CE1-CG 4.03Å; F703-E771 HydrophobicContact CZ-CG 3.9Å; E771-R779 IonicContact OE1-CZ 2.72Å; E771-R779 IonicContact OE1-NE 3.81Å; E771-R779 PolarHBondContact OE1-NE 2.95Å; E771-R779 IonicContact OE1-NH2 2.64Å; E771-R779 PolarHBondContact OE1-NH2 2.7Å; E771-R779 IonicContact OE2-CZ 3.67Å; E771-R779 IonicContact OE2-NE 3.39Å; E771-R779 IonicContact OE2-NH2 3.12Å; E771-R779 PolarHBondContact OE2-NH2 2.94Å; E771-I781 HydrophobicContact CB-CD1 3.7Å; E771-I781 HydrophobicContact CG-CD1 3.9Å; E771-L829 WeakPolarHBondContact O-CD1 3.37Å; E771-A830 PolarHBondContact O-N 2.98Å; E771-R831 HydrophobicContact CB-CB 4.14Å; E771-R831 WeakPolarHBondContact CB-O 3.36Å; E771-R831 PolarHBondContact N-O 3.47Å; E771-R831 PolarHBondContact O-N 3.16Å; E771-R831 IonicContact OE1-CZ 2.87Å; E771-R831 IonicContact OE1-NH1 3.6Å; E771-R831 PolarHBondContact OE1-NH1 2.72Å; E771-R831 WeakPolarHBondContact OE2-CD 3.19Å; E771-R831 IonicContact OE2-CZ 3.1Å; E771-R831 IonicContact OE2-NE 3.87Å; E771-R831 IonicContact OE2-NH1 3.67Å; E771-R831 PolarHBondContact OE2-NH1 3.43Å; E771-F833 HydrophobicContact CB-CD2 4.32Å; E771-F833 HydrophobicContact CB-CE2 3.99Å; E771-F833 HydrophobicContact CG-CE2 4.19Å; E771-F833 WeakPolarHBondContact OE2-CE2 3.22Å
772Y94.4Very high89.4Confident0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-102.5137.8173.7-69.8-95.4000110.6F770 R779 F780 M809 P810 V813 Q828 L829F770-Y772 HydrophobicContact CB-CE2 4.44Å; Y772-R779 CarbonylContact O-C 3.53Å; Y772-R779 WeakPolarHBondContact O-CA 3.47Å; Y772-F780 VanDerWaalsContact CB-CZ 3.48Å; Y772-F780 HydrophobicContact CD2-CD2 4.49Å; Y772-F780 AromaticContact CD2-CE2 3.98Å; Y772-F780 HydrophobicContact CD2-CE2 3.98Å; Y772-F780 AromaticContact CG-CE2 3.96Å; Y772-F780 HydrophobicContact CG-CE2 3.96Å; Y772-F780 HydrophobicContact CG-CZ 4.05Å; Y772-F780 PolarHBondContact N-O 2.83Å; Y772-F780 PolarHBondContact O-N 3.29Å; Y772-M809 HydrophobicContact CE2-CE 4.3Å; Y772-P810 WeakPolarHBondContact CE1-O 3.33Å; Y772-P810 VanDerWaalsContact CZ-O 3.27Å; Y772-P810 PolarHBondContact OH-O 2.87Å; Y772-V813 HydrophobicContact CD1-CB 4.49Å; Y772-V813 HydrophobicContact CD1-CG1 4.32Å; Y772-V813 HydrophobicContact CD1-CG2 3.49Å; Y772-V813 VanDerWaalsContact CD1-CG2 3.49Å; Y772-V813 HydrophobicContact CE1-CB 4.38Å; Y772-V813 HydrophobicContact CE1-CG1 3.75Å; Y772-V813 HydrophobicContact CE1-CG2 3.83Å; Y772-V813 HydrophobicContact CG-CG2 3.94Å; Y772-Q828 CarbonylContact C-O 3.47Å; Y772-Q828 VanDerWaalsContact CA-O 3.29Å; Y772-Q828 WeakPolarHBondContact CA-O 3.21Å; Y772-L829 HydrophobicContact CD1-CB 4.05Å; Y772-L829 HydrophobicContact CD2-CD1 4.06Å; Y772-L829 HydrophobicContact CE1-CB 3.68Å; Y772-L829 HydrophobicContact CE1-CD1 4.21Å; Y772-L829 HydrophobicContact CE2-CD1 3.67Å; Y772-L829 HydrophobicContact CG-CD1 4.46Å
773E93.6Very high90.5Very high16 Ų1624.3 Ų24.38%0.07513%0.126CC..EExtended strand (participates in β ladder)trans-128132.5178.9-175.5166-174.900109.8S530 A531 R778 R779 A827 Q828 A830 R831S530-E773 VanDerWaalsContact CA-OE1 3.22Å; S530-E773 WeakPolarHBondContact CA-OE1 3.47Å; A531-E773 PolarHBondContact N-OE1 3.03Å; E773-R778 WeakPolarHBondContact CA-O 3.35Å; E773-R779 HydrophobicContact CB-CG 4.15Å; E773-R779 HydrophobicContact CG-CG 3.91Å; E773-A827 CarbonylContact O-C 3.58Å; E773-A827 WeakPolarHBondContact O-CA 3.21Å; E773-Q828 PolarHBondContact N-O 3.44Å; E773-Q828 PolarHBondContact O-N 3.05Å; E773-A830 HydrophobicContact CB-CB 3.92Å; E773-R831 IonicContact OE2-CZ 2.79Å; E773-R831 IonicContact OE2-NH1 3.47Å; E773-R831 PolarHBondContact OE2-NH1 2.97Å; E773-R831 VanDerWaalsContact OE2-NH1 3.13Å; E773-R831 IonicContact OE2-NH2 2.97Å; E773-R831 PolarHBondContact OE2-NH2 2.87Å
774D90.3Very high91.1Very high8 Ų821.7 Ų21.74%0.04311%0.105CC..EExtended strand (participates in β ladder)trans-97.6169.1174.775.913.5000113.1R776 G777 R778 S815 A827D774-R776 PolarHBondContact O-N 2.95Å; D774-R776 WeakPolarHBondContact OD1-CA 3.35Å; D774-R776 WeakPolarHBondContact OD1-CB 3.45Å; D774-R776 PolarHBondContact OD1-N 2.76Å; D774-G777 PolarHBondContact O-N 2.61Å; D774-G777 PolarHBondContact OD1-N 3.32Å; D774-R778 PolarHBondContact N-O 3.45Å; D774-R778 WeakPolarHBondContact OD1-CB 3.37Å; D774-R778 PolarHBondContact OD1-N 3.21Å; D774-R778 IonicContact OD1-NE 3.61Å; D774-R778 IonicContact OD2-CZ 3.13Å; D774-R778 IonicContact OD2-NE 3.99Å; D774-R778 PolarHBondContact OD2-NE 3.18Å; D774-R778 IonicContact OD2-NH2 3.65Å; D774-R778 PolarHBondContact OD2-NH2 2.94Å; D774-S815 PolarHBondContact OD2-OG 2.81Å; D774-A827 HydrophobicContact CB-CB 4Å
775G86.4Confident90.9Very high45 Ų4523.1 Ų23.146%0.46411%0.113SC..THydrogen-bonded Turntrans-61.8-8.9-178.800000115.4S528 T529S528-G775 CarbonylContact C-O 3.51Å; S528-G775 VanDerWaalsContact CA-O 3.27Å; S528-G775 WeakPolarHBondContact CA-O 3.41Å; S528-G775 WeakPolarHBondContact CB-O 3.49Å; T529-G775 PolarHBondContact N-O 3.2Å
776R88Confident90.5Very high127 Ų12724.1 Ų24.148%0.47913%0.129SC..BIsolated β-bridgetrans-981.8174.1-60.2-178.1-177.7-129.1-1.2112.4D774D774-R776 PolarHBondContact O-N 2.95Å; D774-R776 WeakPolarHBondContact OD1-CA 3.35Å; D774-R776 WeakPolarHBondContact OD1-CB 3.45Å; D774-R776 PolarHBondContact OD1-N 2.76Å
777G88.7Confident90.2Very high3 Ų329.2 Ų29.23%0.03115%0.151CC..  trans76.819.4-175.800000113.6T529 Q538 D774T529-G777 PolarHBondContact O-N 2.83Å; Q538-G777 PolarHBondContact NE2-O 3.13Å; D774-G777 PolarHBondContact O-N 2.61Å; D774-G777 PolarHBondContact OD1-N 3.32Å
778R90.9Very high89.9Confident52 Ų5229.8 Ų29.820%0.19616%0.156CC..  trans-84137.5172.2-59.3174.8-65.4-1779.1109.1G702 L704 E773 D774 S815 A817G702-R778 CarbonylContact O-C 3.57Å; G702-R778 WeakPolarHBondContact O-CA 3.29Å; L704-R778 HydrophobicContact CD2-CB 4.34Å; E773-R778 WeakPolarHBondContact CA-O 3.35Å; D774-R778 PolarHBondContact N-O 3.45Å; D774-R778 WeakPolarHBondContact OD1-CB 3.37Å; D774-R778 PolarHBondContact OD1-N 3.21Å; D774-R778 IonicContact OD1-NE 3.61Å; D774-R778 IonicContact OD2-CZ 3.13Å; D774-R778 IonicContact OD2-NE 3.99Å; D774-R778 PolarHBondContact OD2-NE 3.18Å; D774-R778 IonicContact OD2-NH2 3.65Å; D774-R778 PolarHBondContact OD2-NH2 2.94Å; R778-S815 PolarHBondContact NH2-OG 2.76Å; R778-S815 VanDerWaalsContact NH2-OG 3.16Å; R778-A817 PolarHBondContact NH2-O 2.82Å
779R92.9Very high89.4Confident0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-129.6149.5-167.8-60.7166.765.1-164.84.9111.6G535 P701 G702 F703 L704 E771 Y772 E773 R831G535-R779 PolarHBondContact O-NH1 2.72Å; P701-R779 WeakPolarHBondContact O-CD 3.4Å; P701-R779 PolarHBondContact O-NH1 2.81Å; G702-R779 PolarHBondContact O-N 2.93Å; F703-R779 CarbonylContact C-O 3.54Å; F703-R779 VanDerWaalsContact CA-O 3.27Å; F703-R779 WeakPolarHBondContact CA-O 3.28Å; F703-R779 HydrophobicContact CD1-CB 4.11Å; F703-R779 HydrophobicContact CD2-CB 4.44Å; F703-R779 HydrophobicContact CE1-CB 4.21Å; F703-R779 VanDerWaalsContact CE2-CZ 3.44Å; F703-R779 HydrophobicContact CG-CB 4.23Å; F703-R779 HydrophobicContact CZ-CB 4.44Å; L704-R779 PolarHBondContact N-O 2.67Å; E771-R779 IonicContact OE1-CZ 2.72Å; E771-R779 IonicContact OE1-NE 3.81Å; E771-R779 PolarHBondContact OE1-NE 2.95Å; E771-R779 IonicContact OE1-NH2 2.64Å; E771-R779 PolarHBondContact OE1-NH2 2.7Å; E771-R779 IonicContact OE2-CZ 3.67Å; E771-R779 IonicContact OE2-NE 3.39Å; E771-R779 IonicContact OE2-NH2 3.12Å; E771-R779 PolarHBondContact OE2-NH2 2.94Å; Y772-R779 CarbonylContact O-C 3.53Å; Y772-R779 WeakPolarHBondContact O-CA 3.47Å; E773-R779 HydrophobicContact CB-CG 4.15Å; E773-R779 HydrophobicContact CG-CG 3.91Å; R779-R831 VanDerWaalsContact NH2-NH1 3.17Å
780F93.4Very high88.8Confident6 Ų637.4 Ų37.43%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-159.3150.4172.956.9-86.8000111.6L704 S707 Y772 I788 V813 P816 A827L704-F780 HydrophobicContact CD1-CB 4.2Å; L704-F780 HydrophobicContact CD1-CD1 3.96Å; L704-F780 HydrophobicContact CD1-CG 4.35Å; L704-F780 HydrophobicContact CG-CB 4.5Å; S707-F780 WeakPolarHBondContact OG-CB 3.3Å; Y772-F780 VanDerWaalsContact CB-CZ 3.48Å; Y772-F780 HydrophobicContact CD2-CD2 4.49Å; Y772-F780 AromaticContact CD2-CE2 3.98Å; Y772-F780 HydrophobicContact CD2-CE2 3.98Å; Y772-F780 AromaticContact CG-CE2 3.96Å; Y772-F780 HydrophobicContact CG-CE2 3.96Å; Y772-F780 HydrophobicContact CG-CZ 4.05Å; Y772-F780 PolarHBondContact N-O 2.83Å; Y772-F780 PolarHBondContact O-N 3.29Å; F780-I788 HydrophobicContact CB-CG2 3.88Å; F780-I788 HydrophobicContact CD2-CB 4.28Å; F780-I788 HydrophobicContact CD2-CG1 3.83Å; F780-I788 HydrophobicContact CD2-CG2 3.72Å; F780-I788 HydrophobicContact CE2-CG1 3.88Å; F780-I788 HydrophobicContact CG-CG2 4.05Å; F780-V813 HydrophobicContact CE2-CG2 4.17Å; F780-V813 HydrophobicContact CZ-CG2 3.67Å; F780-P816 HydrophobicContact CD1-CG 4.01Å; F780-P816 HydrophobicContact CE1-CG 3.66Å; F780-P816 HydrophobicContact CE2-CG 4.34Å; F780-P816 HydrophobicContact CG-CG 4.5Å; F780-P816 HydrophobicContact CZ-CG 3.82Å; F780-A827 HydrophobicContact CE1-CB 3.8Å; F780-A827 HydrophobicContact CZ-CB 3.98Å
781I93.9Very high88Confident0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-86.7137.9170.2-56.5-58.2000110L698 F703 S707 L710 F770 E771 V789 F833L698-I781 HydrophobicContact CD1-CD1 4.34Å; F703-I781 HydrophobicContact CE1-CD1 3.91Å; F703-I781 HydrophobicContact CE1-CG1 3.91Å; F703-I781 HydrophobicContact CZ-CD1 4.27Å; S707-I781 WeakPolarHBondContact O-CB 3.49Å; S707-I781 WeakPolarHBondContact O-CG1 3.4Å; S707-I781 PolarHBondContact O-N 2.88Å; L710-I781 HydrophobicContact CD2-CD1 4.39Å; F770-I781 CarbonylContact O-C 3.38Å; F770-I781 WeakPolarHBondContact O-CA 3.3Å; E771-I781 HydrophobicContact CB-CD1 3.7Å; E771-I781 HydrophobicContact CG-CD1 3.9Å; I781-V789 HydrophobicContact CB-CB 4.37Å; I781-V789 HydrophobicContact CB-CG2 4.03Å; I781-V789 HydrophobicContact CG2-CG2 3.81Å; I781-V789 WeakPolarHBondContact O-CB 3.23Å; I781-V789 WeakPolarHBondContact O-CG2 3.44Å; I781-V789 PolarHBondContact O-N 2.76Å; I781-F833 HydrophobicContact CD1-CD2 4.16Å; I781-F833 HydrophobicContact CD1-CE2 4.42Å
782S91.7Very high86.3Confident4 Ų445.9 Ų45.93%0.02824%0.236CC..EExtended strand (participates in β ladder)trans-91.4139.4174.4-171.30000112.5F770 G784 K787F770-S782 PolarHBondContact O-N 3.13Å; S782-G784 PolarHBondContact OG-N 3.38Å; S782-G784 PolarHBondContact OG-O 3.09Å; S782-K787 PolarHBondContact OG-O 2.88Å
783S86.9Confident84.7Confident2 Ų248.4 Ų48.41%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-100.4-3.417663.10000113.5K787 V804S783-K787 WeakPolarHBondContact CA-O 3.27Å; S783-K787 PolarHBondContact N-O 2.97Å; S783-K787 WeakPolarHBondContact OG-CD 3.41Å; S783-K787 VanDerWaalsContact OG-CG 3.29Å; S783-K787 WeakPolarHBondContact OG-CG 3.41Å; S783-K787 PolarHBondContact OG-O 2.93Å; S783-V804 VanDerWaalsContact C-CG1 3.47Å
784G84.4Confident82.9Confident9 Ų954.2 Ų54.29%0.09330%0.301CS..EExtended strand (participates in β ladder)trans173.3163.8-179.400000109.8S782 D786 K787S782-G784 PolarHBondContact OG-N 3.38Å; S782-G784 PolarHBondContact OG-O 3.09Å; G784-D786 PolarHBondContact O-N 2.82Å; G784-K787 PolarHBondContact N-O 2.87Å; G784-K787 PolarHBondContact O-N 2.83Å
785P80.8Confident81.4Confident40 Ų4056 Ų5626%0.2632%0.321SS..THydrogen-bonded Turntrans-43.9-39.8-174.3-33.837.5000115.5A807 M809 P810P785-A807 HydrophobicContact CG-CB 3.97Å; P785-M809 HydrophobicContact CG-SD 4.17Å; P785-P810 HydrophobicContact CB-CG 4.39Å; P785-P810 VanDerWaalsContact O-CG 3.23Å; P785-P810 WeakPolarHBondContact O-CG 3.44Å
786D80.1Confident80.6Confident161 Ų16154.2 Ų54.286%0.86130%0.303SS*.THydrogen-bonded Turntrans-114.711-178.4-54-55.1000114.5G784G784-D786 PolarHBondContact O-N 2.82Å
787K84.9Confident80.1Confident106 Ų10649 Ų4946%0.46129%0.287SS..EExtended strand (participates in β ladder)trans-130.4121.7-168.7-167.6-169.9173.8-157.80113.2S782 S783 G784 D799S782-K787 PolarHBondContact OG-O 2.88Å; S783-K787 WeakPolarHBondContact CA-O 3.27Å; S783-K787 PolarHBondContact N-O 2.97Å; S783-K787 WeakPolarHBondContact OG-CD 3.41Å; S783-K787 VanDerWaalsContact OG-CG 3.29Å; S783-K787 WeakPolarHBondContact OG-CG 3.41Å; S783-K787 PolarHBondContact OG-O 2.93Å; G784-K787 PolarHBondContact N-O 2.87Å; G784-K787 PolarHBondContact O-N 2.83Å; K787-D799 IonicContact NZ-OD1 3.29Å; K787-D799 IonicContact NZ-OD2 3.38Å; K787-D799 PolarHBondContact NZ-OD2 2.86Å
788I86.1Confident79.5Confident45 Ų4557.8 Ų57.823%0.23132%0.324CS..EExtended strand (participates in β ladder)trans-78.8143.9176.5-51.3150.4000111F780 K790 P816F780-I788 HydrophobicContact CB-CG2 3.88Å; F780-I788 HydrophobicContact CD2-CB 4.28Å; F780-I788 HydrophobicContact CD2-CG1 3.83Å; F780-I788 HydrophobicContact CD2-CG2 3.72Å; F780-I788 HydrophobicContact CE2-CG1 3.88Å; F780-I788 HydrophobicContact CG-CG2 4.05Å; I788-K790 PolarHBondContact O-N 2.72Å; I788-P816 HydrophobicContact CD1-CB 3.46Å; I788-P816 VanDerWaalsContact CD1-CB 3.46Å; I788-P816 HydrophobicContact CD1-CG 3.2Å; I788-P816 HydrophobicContact CG1-CG 4Å
789V85.2Confident79.2Confident3 Ų357 Ų572%0.01832%0.324CS..  trans-62.7128.8169.2174.40000110.2S707 F709 L711 I781 A797S707-V789 WeakPolarHBondContact CA-O 3.27Å; S707-V789 WeakPolarHBondContact CB-O 3.46Å; F709-V789 HydrophobicContact CB-CG1 4.05Å; L711-V789 HydrophobicContact CD2-CG2 3.78Å; I781-V789 HydrophobicContact CB-CB 4.37Å; I781-V789 HydrophobicContact CB-CG2 4.03Å; I781-V789 HydrophobicContact CG2-CG2 3.81Å; I781-V789 WeakPolarHBondContact O-CB 3.23Å; I781-V789 WeakPolarHBondContact O-CG2 3.44Å; I781-V789 PolarHBondContact O-N 2.76Å; V789-A797 HydrophobicContact CG1-CB 3.99Å
790K82.2Confident79Confident158 Ų15859.4 Ų59.469%0.68734%0.34SS*.  trans-131.799.3171.5-67.2-176.7179.4179.10109.4I788 L792I788-K790 PolarHBondContact O-N 2.72Å; K790-L792 HydrophobicContact CB-CD1 4.16Å; K790-L792 PolarHBondContact O-N 2.84Å
791A77.4Confident78.8Confident19 Ų1959.1 Ų59.116%0.15734%0.338CS..  trans-84.1105.6172.600000109.9G706 F709G706-A791 PolarHBondContact O-N 3.34Å; F709-A791 HydrophobicContact CD1-CB 4.37Å; F709-A791 HydrophobicContact CD2-CB 3.37Å; F709-A791 HydrophobicContact CE1-CB 4.44Å; F709-A791 HydrophobicContact CE2-CB 3.48Å; F709-A791 VanDerWaalsContact CE2-CB 3.48Å; F709-A791 HydrophobicContact CG-CB 3.86Å; F709-A791 HydrophobicContact CZ-CB 4.03Å
792L59.5Low78.4Confident159 Ų15961.5 Ų61.583%0.83236%0.355SS*.  trans-98.2100.7170.4-86.385.2000109.3K790K790-L792 HydrophobicContact CB-CD1 4.16Å; K790-L792 PolarHBondContact O-N 2.84Å
793G61.7Low78.2Confident53 Ų5367.6 Ų67.655%0.54638%0.378SS..SBendtrans100.1174.8170.600000116G795G793-G795 PolarHBondContact O-N 3.32Å
794P54.4Low78.2Confident139 Ų13967.6 Ų67.690%0.90338%0.377SS*.THydrogen-bonded Turntrans-68.2112.9-177.325.9-31.1000110.2
795G59.4Low78.4Confident45 Ų4567.5 Ų67.546%0.46438%0.375SS..THydrogen-bonded Turntrans150.7-1.3-179.100000116.5G793G793-G795 PolarHBondContact O-N 3.32Å
796G70.8Confident78.8Confident8 Ų871.4 Ų71.48%0.08239%0.393CS..  trans71.8-166.8174.800000114.7C694C694-G796 VanDerWaalsContact O-CA 3.3Å; C694-G796 WeakPolarHBondContact O-CA 3.37Å
797A76.6Confident79.3Confident16 Ų1665.2 Ų65.213%0.13236%0.364CS..  trans-72.5128177.500000111.4F709 L711 V789F709-A797 HydrophobicContact CB-CB 3.94Å; L711-A797 HydrophobicContact CD2-CB 4.16Å; V789-A797 HydrophobicContact CG1-CB 3.99Å
798K75.8Confident79.6Confident188 Ų18862.7 Ų62.782%0.81736%0.356SS*.  trans-91-17.6-178-65-175.4179.3178.90114.4
799D84.8Confident79.9Confident35 Ų3560.6 Ų60.619%0.18735%0.345CS..SBendtrans-77.5134.1-178.7-75.5-53.8000110.4L711 P712 K787 R803L711-D799 HydrophobicContact CD2-CB 4.18Å; L711-D799 WeakPolarHBondContact CD2-O 3.38Å; P712-D799 WeakPolarHBondContact CD-O 3.38Å; K787-D799 IonicContact NZ-OD1 3.29Å; K787-D799 IonicContact NZ-OD2 3.38Å; K787-D799 PolarHBondContact NZ-OD2 2.86Å; D799-R803 IonicContact OD1-CZ 3.33Å; D799-R803 IonicContact OD1-NH1 3.56Å; D799-R803 PolarHBondContact OD1-NH1 2.86Å
800P88.9Confident80.3Confident51 Ų5161.4 Ų61.433%0.33135%0.35SS..  trans-75.9146.4-179.631-35000112.1S802 R803P800-S802 PolarHBondContact O-N 2.82Å; P800-R803 HydrophobicContact CG-CG 4.47Å; P800-R803 PolarHBondContact O-N 2.91Å
801A88.5Confident80.8Confident0 Ų053.9 Ų53.90%032%0.318CS..THydrogen-bonded Turntrans-64.7-21.5178.500000113.6L711 P712 W713 V768 R803 V804 L805L711-A801 HydrophobicContact CB-CB 3.85Å; P712-A801 WeakPolarHBondContact O-CB 3.44Å; P712-A801 PolarHBondContact O-N 3.45Å; W713-A801 HydrophobicContact CB-CB 3.74Å; W713-A801 HydrophobicContact CG-CB 4.22Å; V768-A801 HydrophobicContact CB-CB 4.19Å; A801-R803 PolarHBondContact O-N 2.86Å; A801-V804 WeakPolarHBondContact O-CG2 3.43Å; A801-V804 PolarHBondContact O-N 2.8Å; A801-L805 HydrophobicContact CB-CD1 4.26Å; A801-L805 WeakPolarHBondContact O-CG 3.39Å; A801-L805 PolarHBondContact O-N 3.17Å; A801-L805 VanDerWaalsContact O-N 3.1Å
802S86.4Confident81.5Confident50 Ų5053.7 Ų53.735%0.3531%0.313SS..Hα-helixtrans-56.3-27.2179.5570000113.4P800 N806P800-S802 PolarHBondContact O-N 2.82Å; S802-N806 VanDerWaalsContact O-CB 3.31Å; S802-N806 WeakPolarHBondContact O-CB 3.41Å; S802-N806 VanDerWaalsContact O-CG 3.32Å; S802-N806 PolarHBondContact O-N 2.81Å; S802-N806 PolarHBondContact O-ND2 3.44Å
803R86.6Confident82.9Confident133 Ų13346.8 Ų46.850%0.50228%0.278SS..Hα-helixtrans-66.9-40.6176.4-69.6-173.8-179160.94.9113.4D799 P800 A801 A807D799-R803 IonicContact OD1-CZ 3.33Å; D799-R803 IonicContact OD1-NH1 3.56Å; D799-R803 PolarHBondContact OD1-NH1 2.86Å; P800-R803 HydrophobicContact CG-CG 4.47Å; P800-R803 PolarHBondContact O-N 2.91Å; A801-R803 PolarHBondContact O-N 2.86Å; R803-A807 WeakPolarHBondContact O-CB 3.38Å
804V88.3Confident84.2Confident1 Ų148.1 Ų48.11%0.00628%0.277CS..Hα-helixtrans-85-23.8-179.4-66.60000112.3L711 F770 S783 A801 M809L711-V804 HydrophobicContact CD1-CB 4.44Å; L711-V804 HydrophobicContact CD1-CG1 3.91Å; L711-V804 HydrophobicContact CD1-CG2 3.59Å; F770-V804 HydrophobicContact CD2-CB 3.78Å; F770-V804 HydrophobicContact CD2-CG1 4.45Å; F770-V804 HydrophobicContact CD2-CG2 3.79Å; F770-V804 HydrophobicContact CE2-CB 3.72Å; F770-V804 HydrophobicContact CE2-CG2 3.66Å; S783-V804 VanDerWaalsContact C-CG1 3.47Å; A801-V804 WeakPolarHBondContact O-CG2 3.43Å; A801-V804 PolarHBondContact O-N 2.8Å; V804-M809 HydrophobicContact CB-SD 3.86Å; V804-M809 HydrophobicContact CG1-CE 4.22Å; V804-M809 HydrophobicContact CG1-SD 3.91Å
805L89Confident85.5Confident7 Ų742.4 Ų42.44%0.03724%0.24CC..Hα-helixtrans-79.6-31.9178.6-67175.8000113.1W713 V768 F770 A801 G906 I907 L908W713-L805 HydrophobicContact CD2-CD1 3.63Å; W713-L805 VanDerWaalsContact CE2-CD1 3.49Å; W713-L805 HydrophobicContact CE3-CD1 4.05Å; W713-L805 HydrophobicContact CG-CD1 4.06Å; W713-L805 HydrophobicContact CH2-CD1 4.21Å; W713-L805 HydrophobicContact CZ2-CD1 3.8Å; W713-L805 HydrophobicContact CZ3-CD1 4.33Å; V768-L805 HydrophobicContact CG1-CD2 4.23Å; F770-L805 HydrophobicContact CE2-CD2 4.39Å; A801-L805 HydrophobicContact CB-CD1 4.26Å; A801-L805 WeakPolarHBondContact O-CG 3.39Å; A801-L805 PolarHBondContact O-N 3.17Å; A801-L805 VanDerWaalsContact O-N 3.1Å; L805-G906 PolarHBondContact O-N 2.99Å; L805-I907 HydrophobicContact CD2-CG2 4.41Å; L805-L908 HydrophobicContact CD2-CB 3.94Å; L805-L908 HydrophobicContact CD2-CD1 3.93Å; L805-L908 HydrophobicContact CD2-CG 4.37Å
806N89.1Confident86.4Confident123 Ų12343.1 Ų43.166%0.65824%0.236SC*.SBendtrans-92.9-2.1-177.8-67.8-21.9000114.1S802S802-N806 VanDerWaalsContact O-CB 3.31Å; S802-N806 WeakPolarHBondContact O-CB 3.41Å; S802-N806 VanDerWaalsContact O-CG 3.32Å; S802-N806 PolarHBondContact O-N 2.81Å; S802-N806 PolarHBondContact O-ND2 3.44Å
807A89.6Confident86.1Confident30 Ų3044.2 Ų44.225%0.24825%0.245CC..SBendtrans-115.9154.3179.500000110.7P785 R803 M809P785-A807 HydrophobicContact CG-CB 3.97Å; R803-A807 WeakPolarHBondContact O-CB 3.38Å; A807-M809 PolarHBondContact O-N 3.02Å
808D91.3Very high85.3Confident53 Ų5353 Ų5328%0.28328%0.283SS..PPolyproline II helixtrans-71.3125.2168-69.6-13.7000108.3K902 V903 R905D808-K902 HydrophobicContact CB-CB 4.39Å; D808-K902 HydrophobicContact CB-CD 3.95Å; D808-K902 WeakPolarHBondContact OD2-CD 3.48Å; D808-K902 IonicContact OD2-NZ 2.67Å; D808-K902 PolarHBondContact OD2-NZ 2.89Å; D808-V903 CarbonylContact C-O 3.58Å; D808-V903 WeakPolarHBondContact CA-O 3.04Å; D808-R905 WeakPolarHBondContact OD1-CB 3.18Å; D808-R905 PolarHBondContact OD1-N 2.88Å
809M93.1Very high84.4Confident2 Ų244.9 Ų44.91%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-91127.6-179.5-70.7-59.1-60.200109.8F770 Y772 P785 V804 A807 L811 K902 V903F770-M809 HydrophobicContact CB-CE 4.25Å; F770-M809 HydrophobicContact CD1-CB 4.43Å; F770-M809 HydrophobicContact CD1-CG 4.12Å; F770-M809 HydrophobicContact CD2-CG 4.34Å; F770-M809 HydrophobicContact CE1-CB 4.45Å; F770-M809 HydrophobicContact CE1-CG 4.01Å; F770-M809 HydrophobicContact CE2-CG 4.25Å; F770-M809 HydrophobicContact CG-CE 4.32Å; F770-M809 HydrophobicContact CG-CG 4.27Å; F770-M809 HydrophobicContact CZ-CG 4.06Å; Y772-M809 HydrophobicContact CE2-CE 4.3Å; P785-M809 HydrophobicContact CG-SD 4.17Å; V804-M809 HydrophobicContact CB-SD 3.86Å; V804-M809 HydrophobicContact CG1-CE 4.22Å; V804-M809 HydrophobicContact CG1-SD 3.91Å; A807-M809 PolarHBondContact O-N 3.02Å; M809-L811 PolarHBondContact O-N 2.97Å; M809-K902 CarbonylContact O-C 3.57Å; M809-K902 VanDerWaalsContact O-CA 3.3Å; M809-K902 WeakPolarHBondContact O-CA 3.03Å; M809-V903 HydrophobicContact CB-CB 4.43Å; M809-V903 PolarHBondContact N-O 3.19Å; M809-V903 PolarHBondContact O-N 2.91Å
810P92.8Very high82.8Confident19 Ų1955.1 Ų55.112%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-64.7136.1-17924.4-32.1000110.6Y772 P785 Y812 V813 Y901Y772-P810 WeakPolarHBondContact CE1-O 3.33Å; Y772-P810 VanDerWaalsContact CZ-O 3.27Å; Y772-P810 PolarHBondContact OH-O 2.87Å; P785-P810 HydrophobicContact CB-CG 4.39Å; P785-P810 VanDerWaalsContact O-CG 3.23Å; P785-P810 WeakPolarHBondContact O-CG 3.44Å; P810-Y812 VanDerWaalsContact C-N 3.29Å; P810-V813 HydrophobicContact CB-CG1 4.03Å; P810-V813 HydrophobicContact CG-CG1 3.48Å; P810-V813 VanDerWaalsContact CG-CG1 3.48Å; P810-Y901 CarbonylContact C-O 3.58Å; P810-Y901 WeakPolarHBondContact CA-O 3.4Å
811L93.2Very high81.2Confident0 Ų055.5 Ų55.50%030%0.303CS..SBendtrans-70.2-30.7176.5179.862.7000111.1M809 Q828 L829 V849 P851 Y882 Y901M809-L811 PolarHBondContact O-N 2.97Å; L811-Q828 HydrophobicContact CD1-CG 4.27Å; L811-Q828 CarbonylContact O-C 3.57Å; L811-Q828 WeakPolarHBondContact O-CA 3.33Å; L811-L829 HydrophobicContact CD1-CB 4.35Å; L811-L829 PolarHBondContact O-N 2.85Å; L811-V849 HydrophobicContact CD1-CG1 4.22Å; L811-V849 HydrophobicContact CD2-CG1 4.05Å; L811-P851 HydrophobicContact CD2-CB 4.02Å; L811-Y882 HydrophobicContact CD1-CE2 4.32Å; L811-Y882 HydrophobicContact CD2-CD2 4.42Å; L811-Y882 HydrophobicContact CD2-CE2 3.96Å; L811-Y901 PolarHBondContact N-O 3.22Å
812Y91.7Very high79.2Confident15 Ų1564.4 Ų64.46%0.05935%0.349CS..EExtended strand (participates in β ladder)trans-127.7135.4177.1-61-79.1000110.7P810 F826 A827 Q828 P891 P892 Y901P810-Y812 VanDerWaalsContact C-N 3.29Å; Y812-F826 HydrophobicContact CD1-CB 4.38Å; Y812-A827 WeakPolarHBondContact CA-O 3.36Å; Y812-Q828 HydrophobicContact CD1-CB 3.91Å; Y812-Q828 HydrophobicContact CD1-CG 4.07Å; Y812-Q828 HydrophobicContact CE1-CB 3.76Å; Y812-Q828 HydrophobicContact CE1-CG 3.62Å; Y812-P891 HydrophobicContact CE1-CB 4.42Å; Y812-P892 HydrophobicContact CD2-CG 3.68Å; Y812-P892 VanDerWaalsContact CE2-CD 3.45Å; Y812-P892 HydrophobicContact CE2-CG 4.3Å; Y812-P892 HydrophobicContact CG-CG 3.86Å; Y812-Y901 AromaticContact CD2-CD1 3.85Å; Y812-Y901 HydrophobicContact CD2-CD1 3.85Å; Y812-Y901 HydrophobicContact CD2-CG 4.08Å; Y812-Y901 AromaticContact CE2-CD1 3.75Å; Y812-Y901 HydrophobicContact CE2-CD1 3.75Å; Y812-Y901 HydrophobicContact CE2-CE1 4.38Å; Y812-Y901 HydrophobicContact CE2-CG 4.42Å
813V90.1Very high77.9Confident15 Ų1569.1 Ų69.19%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-130.6150.4173.6-62.70000110.3Y772 F780 P810 S815 F826 A827Y772-V813 HydrophobicContact CD1-CB 4.49Å; Y772-V813 HydrophobicContact CD1-CG1 4.32Å; Y772-V813 HydrophobicContact CD1-CG2 3.49Å; Y772-V813 VanDerWaalsContact CD1-CG2 3.49Å; Y772-V813 HydrophobicContact CE1-CB 4.38Å; Y772-V813 HydrophobicContact CE1-CG1 3.75Å; Y772-V813 HydrophobicContact CE1-CG2 3.83Å; Y772-V813 HydrophobicContact CG-CG2 3.94Å; F780-V813 HydrophobicContact CE2-CG2 4.17Å; F780-V813 HydrophobicContact CZ-CG2 3.67Å; P810-V813 HydrophobicContact CB-CG1 4.03Å; P810-V813 HydrophobicContact CG-CG1 3.48Å; P810-V813 VanDerWaalsContact CG-CG1 3.48Å; V813-S815 PolarHBondContact O-N 3.03Å; V813-F826 CarbonylContact O-C 3.54Å; V813-F826 WeakPolarHBondContact O-CA 3.22Å; V813-A827 HydrophobicContact CG2-CB 4.16Å; V813-A827 PolarHBondContact N-O 3.43Å; V813-A827 PolarHBondContact O-N 3.41Å
814P87.1Confident76.6Confident81 Ų8166.2 Ų66.253%0.52636%0.362SS..EExtended strand (participates in β ladder)trans-57130.7172.3-23.934.3000111.2F826P814-F826 HydrophobicContact CG-CE1 4.49Å
815S83.6Confident76Confident19 Ų1969.8 Ų69.813%0.13338%0.378CS..  trans-63.1128.9179-178.80000109.6D774 R778 V813 A817 H825D774-S815 PolarHBondContact OD2-OG 2.81Å; R778-S815 PolarHBondContact NH2-OG 2.76Å; R778-S815 VanDerWaalsContact NH2-OG 3.16Å; V813-S815 PolarHBondContact O-N 3.03Å; S815-A817 PolarHBondContact O-N 3.14Å; S815-A817 VanDerWaalsContact O-N 3.09Å; S815-H825 WeakPolarHBondContact CB-O 3.32Å; S815-H825 PolarHBondContact N-O 3.44Å
816P76.4Confident75.9Confident60 Ų6072 Ų7239%0.3939%0.388SS..SBendtrans-66.9-14.6-172.9-22.734.2000114.9L704 F780 I788L704-P816 HydrophobicContact CD1-CB 4.07Å; L704-P816 HydrophobicContact CD1-CG 4.01Å; F780-P816 HydrophobicContact CD1-CG 4.01Å; F780-P816 HydrophobicContact CE1-CG 3.66Å; F780-P816 HydrophobicContact CE2-CG 4.34Å; F780-P816 HydrophobicContact CG-CG 4.5Å; F780-P816 HydrophobicContact CZ-CG 3.82Å; I788-P816 HydrophobicContact CD1-CB 3.46Å; I788-P816 VanDerWaalsContact CD1-CB 3.46Å; I788-P816 HydrophobicContact CD1-CG 3.2Å; I788-P816 HydrophobicContact CG1-CG 4Å
817A66.3Low76Confident31 Ų3166.2 Ų66.226%0.25636%0.356SS..SBendtrans-108.5114.8-176.700000109.7R778 S815 G819R778-A817 PolarHBondContact NH2-O 2.82Å; S815-A817 PolarHBondContact O-N 3.14Å; S815-A817 VanDerWaalsContact O-N 3.09Å; A817-G819 PolarHBondContact O-N 2.96Å
818Q59.8Low76.1Confident199 Ų19965.9 Ų65.993%0.9335%0.35SS*.  trans-54.2109.7172.6-75.8179.3-1400109.1
819G56.4Low76.3Confident19 Ų1963.4 Ų63.420%0.19634%0.336CS..  trans-64.8157.616800000109.8A817 G821A817-G819 PolarHBondContact O-N 2.96Å; G819-G821 VanDerWaalsContact C-N 3.33Å; G819-G821 PolarHBondContact O-N 3.04Å
820R49.8Very low76.4Confident249 Ų24964 Ų6494%0.9434%0.342SS*.SBendtrans-68.296.3162.5-64.6-171.3-163.2-159.75107.4
821G56Low76.5Confident60 Ų6063.1 Ų63.162%0.61934%0.336SS*.SBendtrans162157.5178.900000113.4G819G819-G821 VanDerWaalsContact C-N 3.33Å; G819-G821 PolarHBondContact O-N 3.04Å
822L47.7Very low76.6Confident186 Ų18663.1 Ų63.197%0.97434%0.336SS*.SBendtrans-78.6-14-178.6-82.7138.7000114.3
823K57.3Low76.8Confident150 Ų15062.4 Ų62.465%0.65233%0.333SS*.SBendtrans-97.9129-176-66-167.8173.3-178.40112.9H825 E894K823-H825 PolarHBondContact O-CE1 2.98Å; K823-H825 PolarHBondContact O-N 3.33Å; K823-H825 PolarHBondContact O-ND1 2.93Å; K823-E894 WeakPolarHBondContact CB-OE1 3.45Å; K823-E894 WeakPolarHBondContact CD-OE1 3.4Å; K823-E894 VanDerWaalsContact CG-OE1 3.22Å; K823-E894 WeakPolarHBondContact CG-OE1 3.33Å
824P60.1Low77.1Confident72 Ų7261.9 Ų61.947%0.46833%0.33SS..PPolyproline II helixtrans-63.1131.1173.626.8-33.1000110.1E894P824-E894 WeakPolarHBondContact CD-OE1 3.46Å; P824-E894 HydrophobicContact CG-CG 4Å
825H75.1Confident77.4Confident76 Ų7658.3 Ų58.335%0.35231%0.307SS..PPolyproline II helixtrans-96.1135.5174.6-65.256.8000108.2S815 K823S815-H825 WeakPolarHBondContact CB-O 3.32Å; S815-H825 PolarHBondContact N-O 3.44Å; K823-H825 PolarHBondContact O-CE1 2.98Å; K823-H825 PolarHBondContact O-N 3.33Å; K823-H825 PolarHBondContact O-ND1 2.93Å
826F87.5Confident77.8Confident54 Ų5457.4 Ų57.424%0.23730%0.3CS..EExtended strand (participates in β ladder)trans-91.7144.2174.2-61-70.1000110.9Y812 V813 P814 L898Y812-F826 HydrophobicContact CD1-CB 4.38Å; V813-F826 CarbonylContact O-C 3.54Å; V813-F826 WeakPolarHBondContact O-CA 3.22Å; P814-F826 HydrophobicContact CG-CE1 4.49Å; F826-L898 HydrophobicContact CD1-CD1 4.39Å; F826-L898 HydrophobicContact CE1-CD1 3.96Å; F826-L898 HydrophobicContact CE1-CD2 4.13Å; F826-L898 HydrophobicContact CZ-CD2 4.45Å
827A90.5Very high78.4Confident0 Ų055.5 Ų55.50%029%0.288CS..EExtended strand (participates in β ladder)trans-99.3134.8163.400000108.2E773 D774 F780 Y812 V813E773-A827 CarbonylContact O-C 3.58Å; E773-A827 WeakPolarHBondContact O-CA 3.21Å; D774-A827 HydrophobicContact CB-CB 4Å; F780-A827 HydrophobicContact CE1-CB 3.8Å; F780-A827 HydrophobicContact CZ-CB 3.98Å; Y812-A827 WeakPolarHBondContact CA-O 3.36Å; V813-A827 HydrophobicContact CG2-CB 4.16Å; V813-A827 PolarHBondContact N-O 3.43Å; V813-A827 PolarHBondContact O-N 3.41Å
828Q93.4Very high79.4Confident24 Ų2460.3 Ų60.311%0.11231%0.31CS..EExtended strand (participates in β ladder)trans-98.7142.1179.9-175.4177.5600110Y772 E773 L811 Y812 A830 Y880Y772-Q828 CarbonylContact C-O 3.47Å; Y772-Q828 VanDerWaalsContact CA-O 3.29Å; Y772-Q828 WeakPolarHBondContact CA-O 3.21Å; E773-Q828 PolarHBondContact N-O 3.44Å; E773-Q828 PolarHBondContact O-N 3.05Å; L811-Q828 HydrophobicContact CD1-CG 4.27Å; L811-Q828 CarbonylContact O-C 3.57Å; L811-Q828 WeakPolarHBondContact O-CA 3.33Å; Y812-Q828 HydrophobicContact CD1-CB 3.91Å; Y812-Q828 HydrophobicContact CD1-CG 4.07Å; Y812-Q828 HydrophobicContact CE1-CB 3.76Å; Y812-Q828 HydrophobicContact CE1-CG 3.62Å; Q828-A830 PolarHBondContact O-N 3.4Å; Q828-A830 VanDerWaalsContact O-N 3.13Å; Q828-Y880 PolarHBondContact NE2-O 3.41Å; Q828-Y880 PolarHBondContact OE1-O 2.64Å
829L95.1Very high80.5Confident0 Ų051.6 Ų51.60%027%0.272CS..EExtended strand (participates in β ladder)trans-65.5111.4170.2-176.474.6000109.3F770 E771 Y772 L811 F878 V903F770-L829 HydrophobicContact CB-CD1 3.69Å; F770-L829 HydrophobicContact CD1-CD1 3.96Å; F770-L829 HydrophobicContact CD1-CD2 4.04Å; F770-L829 HydrophobicContact CG-CD1 4.33Å; E771-L829 WeakPolarHBondContact O-CD1 3.37Å; Y772-L829 HydrophobicContact CD1-CB 4.05Å; Y772-L829 HydrophobicContact CD2-CD1 4.06Å; Y772-L829 HydrophobicContact CE1-CB 3.68Å; Y772-L829 HydrophobicContact CE1-CD1 4.21Å; Y772-L829 HydrophobicContact CE2-CD1 3.67Å; Y772-L829 HydrophobicContact CG-CD1 4.46Å; L811-L829 HydrophobicContact CD1-CB 4.35Å; L811-L829 PolarHBondContact O-N 2.85Å; L829-F878 HydrophobicContact CD2-CD2 4.28Å; L829-F878 HydrophobicContact CD2-CE2 3.87Å; L829-F878 HydrophobicContact CD2-CZ 4.02Å; L829-F878 HydrophobicContact CG-CD2 4.21Å; L829-F878 HydrophobicContact CG-CE2 4.11Å; L829-V903 HydrophobicContact CD2-CB 4.23Å; L829-V903 HydrophobicContact CD2-CG2 3.34Å
830A94.1Very high81.6Confident15 Ų1554.2 Ų54.212%0.12429%0.285CS..EExtended strand (participates in β ladder)trans-107.3-34.7-171.400000112.8E771 E773 Q828 F878E771-A830 PolarHBondContact O-N 2.98Å; E773-A830 HydrophobicContact CB-CB 3.92Å; Q828-A830 PolarHBondContact O-N 3.4Å; Q828-A830 VanDerWaalsContact O-N 3.13Å; A830-F878 PolarHBondContact O-N 2.79Å
831R95.6Very high83.2Confident1 Ų142.5 Ų42.50%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-143.6153.5-176.1-53.5-177.6-163.274.620113.1A531 C532 E771 E773 R779 F833 V875 L876A531-R831 PolarHBondContact O-NH2 3.1Å; C532-R831 PolarHBondContact O-NE 3.47Å; C532-R831 PolarHBondContact O-NH2 3.41Å; E771-R831 HydrophobicContact CB-CB 4.14Å; E771-R831 WeakPolarHBondContact CB-O 3.36Å; E771-R831 PolarHBondContact N-O 3.47Å; E771-R831 PolarHBondContact O-N 3.16Å; E771-R831 IonicContact OE1-CZ 2.87Å; E771-R831 IonicContact OE1-NH1 3.6Å; E771-R831 PolarHBondContact OE1-NH1 2.72Å; E771-R831 WeakPolarHBondContact OE2-CD 3.19Å; E771-R831 IonicContact OE2-CZ 3.1Å; E771-R831 IonicContact OE2-NE 3.87Å; E771-R831 IonicContact OE2-NH1 3.67Å; E771-R831 PolarHBondContact OE2-NH1 3.43Å; E773-R831 IonicContact OE2-CZ 2.79Å; E773-R831 IonicContact OE2-NH1 3.47Å; E773-R831 PolarHBondContact OE2-NH1 2.97Å; E773-R831 VanDerWaalsContact OE2-NH1 3.13Å; E773-R831 IonicContact OE2-NH2 2.97Å; E773-R831 PolarHBondContact OE2-NH2 2.87Å; R779-R831 VanDerWaalsContact NH2-NH1 3.17Å; R831-F833 HydrophobicContact CB-CE2 4.3Å; R831-V875 HydrophobicContact CB-CG2 3.99Å; R831-V875 HydrophobicContact CG-CG2 4.38Å; R831-L876 CarbonylContact C-O 3.56Å; R831-L876 WeakPolarHBondContact CA-O 3.21Å
832L96.1Very high84.7Confident0 Ų043.2 Ų43.20%023%0.228CC..EExtended strand (participates in β ladder)trans-121.3117.7168.8172.166.8000108.9V768 G769 F770 V834 L845 V875 L876 F878 I907 L908V768-L832 HydrophobicContact CG1-CD1 3.65Å; G769-L832 WeakPolarHBondContact O-CA 3.42Å; F770-L832 HydrophobicContact CD1-CD1 3.98Å; F770-L832 HydrophobicContact CD2-CD1 4.18Å; F770-L832 HydrophobicContact CE1-CD1 3.86Å; F770-L832 HydrophobicContact CE2-CD1 4.05Å; F770-L832 HydrophobicContact CG-CD1 4.16Å; F770-L832 HydrophobicContact CZ-CD1 3.9Å; L832-V834 HydrophobicContact CD1-CG2 4.48Å; L832-V834 HydrophobicContact CD2-CG2 4.22Å; L832-V834 HydrophobicContact CG-CG2 3.92Å; L832-L845 HydrophobicContact CD2-CD1 3.78Å; L832-V875 CarbonylContact O-C 3.5Å; L832-V875 WeakPolarHBondContact O-CA 3.3Å; L832-L876 HydrophobicContact CB-CB 4.29Å; L832-L876 PolarHBondContact N-O 3.19Å; L832-L876 PolarHBondContact O-N 3.06Å; L832-F878 HydrophobicContact CB-CE2 3.81Å; L832-F878 HydrophobicContact CB-CZ 4.24Å; L832-I907 HydrophobicContact CD2-CD1 3.74Å; L832-I907 HydrophobicContact CD2-CG1 4.01Å; L832-I907 HydrophobicContact CD2-CG2 4.44Å; L832-L908 HydrophobicContact CD2-CD1 4.26Å; L832-L908 HydrophobicContact CD2-CG 4.44Å
833F95.5Very high86.7Confident0 Ų034.4 Ų34.40%018%0.182CC..EExtended strand (participates in β ladder)trans-94.3134.9174.3-69.3-79.9000110.5L686 L698 L710 V768 G769 E771 I781 R831 F873 W874 V875L686-F833 HydrophobicContact CD1-CD1 4.04Å; L686-F833 HydrophobicContact CD1-CE1 3.89Å; L698-F833 HydrophobicContact CD1-CD1 4.44Å; L698-F833 HydrophobicContact CD1-CD2 3.84Å; L698-F833 HydrophobicContact CD1-CE1 4.33Å; L698-F833 HydrophobicContact CD1-CE2 3.71Å; L698-F833 HydrophobicContact CD1-CG 4.2Å; L698-F833 HydrophobicContact CD1-CZ 3.98Å; L710-F833 HydrophobicContact CD1-CB 4.1Å; L710-F833 HydrophobicContact CD2-CB 3.58Å; L710-F833 HydrophobicContact CD2-CD2 4.29Å; L710-F833 HydrophobicContact CD2-CG 4.17Å; V768-F833 CarbonylContact C-O 3.49Å; V768-F833 VanDerWaalsContact CA-O 3.3Å; V768-F833 WeakPolarHBondContact CA-O 3.46Å; G769-F833 PolarHBondContact N-O 3.34Å; G769-F833 PolarHBondContact O-N 2.96Å; E771-F833 HydrophobicContact CB-CD2 4.32Å; E771-F833 HydrophobicContact CB-CE2 3.99Å; E771-F833 HydrophobicContact CG-CE2 4.19Å; E771-F833 WeakPolarHBondContact OE2-CE2 3.22Å; I781-F833 HydrophobicContact CD1-CD2 4.16Å; I781-F833 HydrophobicContact CD1-CE2 4.42Å; R831-F833 HydrophobicContact CB-CE2 4.3Å; F833-F873 HydrophobicContact CB-CE2 4.08Å; F833-F873 AromaticContact CD1-CE2 3.74Å; F833-F873 HydrophobicContact CD1-CE2 3.74Å; F833-F873 AromaticContact CD1-CZ 3.74Å; F833-F873 HydrophobicContact CD1-CZ 3.74Å; F833-F873 HydrophobicContact CE1-CZ 4.37Å; F833-F873 HydrophobicContact CG-CE2 4.34Å; F833-W874 WeakPolarHBondContact CA-O 3.33Å; F833-V875 HydrophobicContact CD1-CB 3.83Å; F833-V875 HydrophobicContact CD1-CG2 3.76Å; F833-V875 HydrophobicContact CE1-CB 3.89Å; F833-V875 HydrophobicContact CE1-CG2 3.56Å; F833-V875 HydrophobicContact CG-CG2 4.37Å; F833-V875 HydrophobicContact CZ-CG2 4.02Å
834V95.3Very high88.3Confident4 Ų428.4 Ų28.42%0.02416%0.158CC..EExtended strand (participates in β ladder)trans-137.2121.4-178.9-169.70000110F767 L832 V836 L868 W874 L908F767-V834 CarbonylContact O-C 3.57Å; F767-V834 WeakPolarHBondContact O-CA 3.19Å; L832-V834 HydrophobicContact CD1-CG2 4.48Å; L832-V834 HydrophobicContact CD2-CG2 4.22Å; L832-V834 HydrophobicContact CG-CG2 3.92Å; V834-V836 HydrophobicContact CG1-CG2 4.21Å; V834-L868 HydrophobicContact CB-CD1 4.1Å; V834-L868 HydrophobicContact CG1-CD1 3.81Å; V834-L868 HydrophobicContact CG2-CD1 4.48Å; V834-W874 HydrophobicContact CB-CB 4.48Å; V834-W874 PolarHBondContact N-O 3.22Å; V834-W874 PolarHBondContact O-N 2.82Å; V834-L908 HydrophobicContact CG1-CD1 4.22Å; V834-L908 HydrophobicContact CG1-CD2 4.45Å; V834-L908 HydrophobicContact CG2-CD1 3.78Å; V834-L908 HydrophobicContact CG2-CD2 4.22Å
835V93.9Very high89.9Confident5 Ų525 Ų253%0.0314%0.136CC..EExtended strand (participates in β ladder)trans-106.1111.5174-176.40000108.2A689 Y692 L710 A766 F767 F873A689-V835 HydrophobicContact CB-CG1 3.92Å; Y692-V835 HydrophobicContact CD1-CG2 3.92Å; Y692-V835 HydrophobicContact CG-CG2 3.9Å; L710-V835 HydrophobicContact CD1-CG2 3.75Å; A766-V835 VanDerWaalsContact CA-O 3.27Å; A766-V835 WeakPolarHBondContact CA-O 3.19Å; A766-V835 VanDerWaalsContact CB-O 3.23Å; A766-V835 WeakPolarHBondContact CB-O 3.43Å; F767-V835 HydrophobicContact CB-CB 3.96Å; F767-V835 HydrophobicContact CB-CG2 4.02Å; F767-V835 HydrophobicContact CD2-CB 4.28Å; F767-V835 HydrophobicContact CD2-CG1 4.37Å; F767-V835 PolarHBondContact N-O 3.28Å; F767-V835 VanDerWaalsContact N-O 3.17Å; F767-V835 PolarHBondContact O-N 2.68Å; V835-F873 HydrophobicContact CG2-CD2 3.54Å; V835-F873 HydrophobicContact CG2-CE2 3.89Å; V835-F873 HydrophobicContact CG2-CG 4.15Å
836V92.3Very high90.7Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-94.6116.6179.1-174.50000108.5A689 V834 I843 L868 D871 G872A689-V836 VanDerWaalsContact CB-O 3.23Å; A689-V836 WeakPolarHBondContact CB-O 3.37Å; V834-V836 HydrophobicContact CG1-CG2 4.21Å; V836-I843 HydrophobicContact CB-CD1 4.43Å; V836-I843 HydrophobicContact CG1-CD1 4.02Å; V836-I843 HydrophobicContact CG1-CG1 4.36Å; V836-I843 HydrophobicContact CG2-CB 4.48Å; V836-I843 HydrophobicContact CG2-CD1 4.13Å; V836-L868 HydrophobicContact CG2-CB 3.92Å; V836-L868 HydrophobicContact CG2-CD1 4.05Å; V836-D871 WeakPolarHBondContact O-CA 3.43Å; V836-D871 PolarHBondContact O-N 3.3Å; V836-G872 PolarHBondContact N-O 3.09Å; V836-G872 PolarHBondContact O-N 2.78Å; V836-G872 VanDerWaalsContact O-N 3.14Å
837P89.3Confident90.9Very high20 Ų2020.5 Ų20.513%0.1312%0.117CC..  trans-69.5163.4-179.730-34.7000112A764 A839 L841 D871A764-P837 HydrophobicContact CB-CG 4.09Å; P837-A839 VanDerWaalsContact C-N 3.32Å; P837-A839 HydrophobicContact CG-CB 4.37Å; P837-A839 PolarHBondContact O-N 2.88Å; P837-L841 HydrophobicContact CG-CD1 4.17Å; P837-D871 PolarHBondContact O-N 3.17Å
838D86.8Confident91Very high133 Ų13323.5 Ų23.571%0.71113%0.131SC*.SBendtrans-77.382.9168.9-171.917.6000109.6D871D838-D871 HydrophobicContact CB-CB 4.02Å
839A83.4Confident91.1Very high16 Ų1622.4 Ų22.413%0.13213%0.126CC..SBendtrans-150.2158.8-177.400000109.9I717 A764 P837 L841 N870I717-A839 HydrophobicContact CD1-CB 4.26Å; A764-A839 HydrophobicContact CB-CB 3.64Å; P837-A839 VanDerWaalsContact C-N 3.32Å; P837-A839 HydrophobicContact CG-CB 4.37Å; P837-A839 PolarHBondContact O-N 2.88Å; A839-L841 HydrophobicContact CB-CD1 4.16Å; A839-L841 HydrophobicContact CB-CG 4.21Å; A839-L841 PolarHBondContact O-N 3.43Å; A839-N870 PolarHBondContact O-ND2 2.7Å; A839-N870 VanDerWaalsContact O-ND2 3.13Å
840P80.1Confident91Very high73 Ų7323.6 Ų23.647%0.47413%0.131SC..SBendtrans-73.958.9177.632.9-37.6000111.9I717 A913I717-P840 HydrophobicContact CD1-CG 4.43Å; I717-P840 HydrophobicContact CG2-CG 4.32Å; P840-A913 PolarHBondContact O-N 3.23Å; P840-A913 VanDerWaalsContact O-N 3.08Å
841L83Confident90.8Very high4 Ų423 Ų232%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-115.4146.5177.7-68.4173.4000108.7L715 I717 A764 P837 A839 N870L715-L841 HydrophobicContact CB-CD1 4.04Å; L715-L841 HydrophobicContact CB-CD2 4.46Å; L715-L841 HydrophobicContact CD1-CD1 3.55Å; L715-L841 HydrophobicContact CG-CD1 4.44Å; I717-L841 HydrophobicContact CG1-CD2 4.04Å; I717-L841 HydrophobicContact CG1-CG 4.46Å; A764-L841 HydrophobicContact CB-CD1 3.51Å; A764-L841 HydrophobicContact CB-CG 4.44Å; P837-L841 HydrophobicContact CG-CD1 4.17Å; A839-L841 HydrophobicContact CB-CD1 4.16Å; A839-L841 HydrophobicContact CB-CG 4.21Å; A839-L841 PolarHBondContact O-N 3.43Å; L841-N870 PolarHBondContact O-OD1 3.02Å
842E86.4Confident90.4Very high75 Ų7523.1 Ų23.135%0.3513%0.128SC..EExtended strand (participates in β ladder)trans-112.7118.7167.6-170.5-178.9-179.700107.7T867 A910 T911E842-T867 HydrophobicContact CG-CG2 3.44Å; E842-T867 VanDerWaalsContact CG-CG2 3.44Å; E842-T867 WeakPolarHBondContact OE1-CG2 3.27Å; E842-T867 PolarHBondContact OE1-OG1 2.97Å; E842-A910 CarbonylContact O-C 3.12Å; E842-A910 WeakPolarHBondContact O-CA 3.41Å; E842-T911 PolarHBondContact N-O 2.96Å; E842-T911 PolarHBondContact O-N 2.99Å
843I89.7Confident89.8Confident0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-108.5113.6176.7-59.2-172.4000108.6W713 L715 A766 V836 L868 L908 R909 A910W713-I843 HydrophobicContact CZ3-CD1 4.1Å; W713-I843 HydrophobicContact CZ3-CG2 4.2Å; L715-I843 HydrophobicContact CD1-CD1 4.16Å; A766-I843 HydrophobicContact CB-CD1 4.23Å; V836-I843 HydrophobicContact CB-CD1 4.43Å; V836-I843 HydrophobicContact CG1-CD1 4.02Å; V836-I843 HydrophobicContact CG1-CG1 4.36Å; V836-I843 HydrophobicContact CG2-CB 4.48Å; V836-I843 HydrophobicContact CG2-CD1 4.13Å; I843-L868 HydrophobicContact CG2-CD1 4.24Å; I843-L868 PolarHBondContact O-N 2.95Å; I843-L908 HydrophobicContact CG2-CD2 3.93Å; I843-R909 CarbonylContact C-O 3.59Å; I843-R909 WeakPolarHBondContact CA-O 3.45Å; I843-A910 HydrophobicContact CG1-CB 4.3Å
844T91.8Very high88.9Confident24 Ų2430.6 Ų30.615%0.14718%0.177CC..EExtended strand (participates in β ladder)trans-101.5134.5179.2-44.20000110.7E865 L908 R909T844-E865 HydrophobicContact CG2-CB 4.03Å; T844-L908 WeakPolarHBondContact O-CA 3.43Å; T844-R909 PolarHBondContact N-O 2.96Å; T844-R909 PolarHBondContact O-N 2.9Å
845L92.6Very high88.1Confident2 Ų236.7 Ų36.71%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-103.9128.2177.6-179.773.3000110.4L683 L832 P847 E865 V866 L876 I907 L908L683-L845 HydrophobicContact CD1-CD2 4.25Å; L683-L845 HydrophobicContact CD2-CD2 4.07Å; L832-L845 HydrophobicContact CD2-CD1 3.78Å; L845-P847 HydrophobicContact CG-CG 4.26Å; L845-E865 WeakPolarHBondContact O-CA 3.34Å; L845-V866 PolarHBondContact N-O 2.83Å; L845-V866 PolarHBondContact O-N 3.01Å; L845-L876 HydrophobicContact CD1-CD2 4.32Å; L845-L876 HydrophobicContact CD2-CB 4.35Å; L845-L876 HydrophobicContact CD2-CD1 4.22Å; L845-L876 HydrophobicContact CD2-CD2 4.12Å; L845-L876 HydrophobicContact CD2-CG 4.45Å; L845-I907 CarbonylContact C-O 3.54Å; L845-I907 WeakPolarHBondContact CA-O 3.38Å; L845-I907 HydrophobicContact CD1-CD1 4.5Å; L845-I907 HydrophobicContact CD1-CG1 3.88Å; L845-L908 HydrophobicContact CB-CD2 4.18Å; L845-L908 HydrophobicContact CD1-CD2 3.63Å; L845-L908 HydrophobicContact CD1-CG 4.25Å
846N92.7Very high87.6Confident33 Ų3337.8 Ų37.818%0.17622%0.224CC..  trans-136.983176.9-174.6-9.2000110.9Q848 T864 E865 I907N846-Q848 PolarHBondContact O-N 2.82Å; N846-T864 VanDerWaalsContact CA-O 3.28Å; N846-T864 WeakPolarHBondContact CA-O 3.47Å; N846-T864 WeakPolarHBondContact CB-O 3.32Å; N846-T864 VanDerWaalsContact CG-O 3.27Å; N846-T864 PolarHBondContact OD1-O 2.75Å; N846-T864 VanDerWaalsContact OD1-O 3.1Å; N846-E865 HydrophobicContact CB-CG 4.37Å; N846-I907 PolarHBondContact N-O 3.15Å; N846-I907 WeakPolarHBondContact O-CA 3.36Å
847P92.3Very high87.4Confident1 Ų138.8 Ų38.81%0.00623%0.23CC..  trans-78.7125-175.810.92.8000111.5W681 L845 H860 P861 L876 F878 I907W681-P847 HydrophobicContact CH2-CB 4.3Å; W681-P847 HydrophobicContact CZ3-CB 3.91Å; W681-P847 HydrophobicContact CZ3-CG 4.45Å; L845-P847 HydrophobicContact CG-CG 4.26Å; P847-H860 WeakPolarHBondContact O-CA 3.39Å; P847-H860 WeakPolarHBondContact O-CB 3.37Å; P847-P861 HydrophobicContact CG-CG 3.73Å; P847-P861 WeakPolarHBondContact O-CD 3.42Å; P847-L876 HydrophobicContact CB-CD2 3.84Å; P847-L876 HydrophobicContact CG-CD2 3.76Å; P847-F878 HydrophobicContact CB-CE1 4.45Å; P847-I907 HydrophobicContact CB-CD1 3.94Å; P847-I907 HydrophobicContact CB-CG1 4.32Å
848Q92.9Very high87.4Confident64 Ų6440.3 Ų40.330%0.29924%0.237SC..  trans-132.3125.4175.6-65.4-174.7-800110.4N846 I858 F859 V903 L904N846-Q848 PolarHBondContact O-N 2.82Å; Q848-I858 HydrophobicContact CB-CG2 3.81Å; Q848-I858 HydrophobicContact CG-CG2 4.32Å; Q848-F859 WeakPolarHBondContact CA-O 3.42Å; Q848-V903 WeakPolarHBondContact O-CA 3.43Å; Q848-L904 HydrophobicContact CB-CB 4.13Å; Q848-L904 HydrophobicContact CB-CD1 3.94Å; Q848-L904 HydrophobicContact CB-CG 4.22Å; Q848-L904 PolarHBondContact O-N 3.01Å
849V94Very high87.7Confident0 Ų034 Ų340%020%0.203CC..EExtended strand (participates in β ladder)trans-126.2130.3-174.4-175.70000110.7W681 L811 F859 F878 Y882 V903W681-V849 HydrophobicContact CH2-CG2 3.74Å; W681-V849 HydrophobicContact CZ3-CG2 4.5Å; L811-V849 HydrophobicContact CD1-CG1 4.22Å; L811-V849 HydrophobicContact CD2-CG1 4.05Å; V849-F859 PolarHBondContact N-O 2.88Å; V849-F859 PolarHBondContact O-N 2.77Å; V849-F878 HydrophobicContact CG2-CD1 3.89Å; V849-F878 HydrophobicContact CG2-CE1 4.06Å; V849-Y882 HydrophobicContact CB-CE1 3.98Å; V849-Y882 HydrophobicContact CG1-CE1 3.78Å; V849-Y882 HydrophobicContact CG1-CE2 4.4Å; V849-Y882 HydrophobicContact CG2-CE1 4.45Å; V849-V903 HydrophobicContact CG1-CG2 4.49Å; V849-V903 HydrophobicContact CG2-CG1 4.47Å; V849-V903 HydrophobicContact CG2-CG2 3.94Å
850Q92.7Very high88.1Confident25 Ų2535.1 Ų35.112%0.11721%0.205CC..EExtended strand (participates in β ladder)trans-111104.4172.1-177179.9-2.700108.8G852 Y901 K902Q850-G852 VanDerWaalsContact C-N 3.31Å; Q850-G852 WeakPolarHBondContact CG-O 3.23Å; Q850-G852 PolarHBondContact NE2-O 2.78Å; Q850-G852 PolarHBondContact O-N 3.03Å; Q850-Y901 CarbonylContact O-C 3.47Å; Q850-Y901 WeakPolarHBondContact O-CA 3.4Å; Q850-K902 HydrophobicContact CB-CG 4.26Å; Q850-K902 PolarHBondContact N-O 3.01Å; Q850-K902 PolarHBondContact O-N 3.04Å
851P90.2Very high88.4Confident3 Ų331.6 Ų31.62%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-90.525-17636.6-37.2000113.6L811 F859 Y882 C889 Y901L811-P851 HydrophobicContact CD2-CB 4.02Å; P851-F859 HydrophobicContact CG-CD2 3.66Å; P851-F859 HydrophobicContact CG-CE2 3.49Å; P851-F859 VanDerWaalsContact CG-CE2 3.49Å; P851-Y882 HydrophobicContact CB-CD2 3.91Å; P851-Y882 HydrophobicContact CB-CG 3.88Å; P851-Y882 HydrophobicContact CG-CD1 4.33Å; P851-Y882 HydrophobicContact CG-CD2 4.48Å; P851-Y882 HydrophobicContact CG-CG 3.94Å; P851-C889 HydrophobicContact CB-CB 4.1Å; P851-C889 HydrophobicContact CG-CB 3.99Å; P851-Y901 VanDerWaalsContact C-CD1 3.45Å; P851-Y901 WeakPolarHBondContact O-CD1 3.32Å; P851-Y901 WeakPolarHBondContact O-CE1 3.32Å
852G87.8Confident88.4Confident4 Ų433 Ų334%0.04119%0.189CC..SBendtrans172.3174.7179.100000116.3Q850 C856 H900Q850-G852 VanDerWaalsContact C-N 3.31Å; Q850-G852 WeakPolarHBondContact CG-O 3.23Å; Q850-G852 PolarHBondContact NE2-O 2.78Å; Q850-G852 PolarHBondContact O-N 3.03Å; G852-C856 WeakPolarHBondContact O-CB 3.44Å; G852-H900 CarbonylContact C-O 3.5Å; G852-H900 PolarHBondContact N-O 3.45Å; G852-H900 VanDerWaalsContact O-O 3.13Å
853P83.3Confident88.2Confident63 Ų6333.2 Ų33.241%0.40919%0.19SC..SBendtrans-56.2141.9176.318.7-29.9000112.3C856 H900P853-C856 WeakPolarHBondContact O-CB 3.32Å; P853-C856 PolarHBondContact O-N 2.98Å; P853-H900 WeakPolarHBondContact CA-ND1 3.22Å; P853-H900 VanDerWaalsContact CB-ND1 3.35Å; P853-H900 WeakPolarHBondContact CB-ND1 3.27Å
854P77.4Confident87.8Confident94 Ų9436.1 Ų36.161%0.6121%0.208SC*.THydrogen-bonded Turntrans-50.6135.1164.2-24.334.6000110C856P854-C856 VanDerWaalsContact CA-N 3.34Å
855P76.8Confident87.6Confident132 Ų13239.9 Ų39.986%0.85722%0.224SC*.THydrogen-bonded Turncis-88.62917.236-37.5000116.8
856C83.6Confident87.4Confident27 Ų2740 Ų4018%0.18223%0.225CC..PPolyproline II helixtrans-58.2131.3174.6-174.90000112.8G852 P853 P854G852-C856 WeakPolarHBondContact O-CB 3.44Å; P853-C856 WeakPolarHBondContact O-CB 3.32Å; P853-C856 PolarHBondContact O-N 2.98Å; P854-C856 VanDerWaalsContact CA-N 3.34Å
857P88.4Confident87.3Confident22 Ų2241.6 Ų41.614%0.14324%0.235CC..PPolyproline II helixtrans-75.1163.6179.231.4-35.5000113H667 A669 F859 T884H667-P857 HydrophobicContact CB-CB 4.16Å; H667-P857 HydrophobicContact CB-CG 4.34Å; H667-P857 VanDerWaalsContact CD2-CB 3.46Å; H667-P857 WeakPolarHBondContact CD2-CB 3.47Å; H667-P857 VanDerWaalsContact CD2-CG 3.47Å; H667-P857 WeakPolarHBondContact CD2-CG 3.48Å; A669-P857 HydrophobicContact CB-CB 4.37Å; P857-F859 HydrophobicContact CG-CE2 4.12Å; P857-F859 HydrophobicContact CG-CZ 4.4Å; P857-T884 HydrophobicContact CG-CG2 3.54Å
858I90.3Very high87.1Confident52 Ų5241.7 Ų41.727%0.26724%0.236SC..PPolyproline II helixtrans-93122.7177.8-59.6167000108.9H667 S668 Q848 L904H667-I858 CarbonylContact C-O 3.53Å; H667-I858 WeakPolarHBondContact CA-O 3.44Å; H667-I858 WeakPolarHBondContact CB-O 3.48Å; S668-I858 PolarHBondContact N-O 2.91Å; S668-I858 PolarHBondContact OG-N 3.15Å; Q848-I858 HydrophobicContact CB-CG2 3.81Å; Q848-I858 HydrophobicContact CG-CG2 4.32Å; I858-L904 HydrophobicContact CD1-CD1 3.94Å; I858-L904 HydrophobicContact CG1-CD1 4.41Å; I858-L904 HydrophobicContact CG2-CD1 4.16Å
859F92Very high86.8Confident0 Ų043.2 Ų43.20%025%0.246CC..BIsolated β-bridgetrans-89.8138.9177.2-67.8-99000110.5M665 H667 Q848 V849 P851 P857 Y882 A883 T884M665-F859 HydrophobicContact CB-CD1 3.94Å; M665-F859 HydrophobicContact CB-CE1 3.94Å; M665-F859 HydrophobicContact CE-CD1 4.18Å; M665-F859 HydrophobicContact SD-CE1 4.45Å; H667-F859 HydrophobicContact CB-CD1 3.89Å; H667-F859 HydrophobicContact CB-CE1 4.03Å; H667-F859 HydrophobicContact CB-CG 4.15Å; H667-F859 HydrophobicContact CB-CZ 4.42Å; Q848-F859 WeakPolarHBondContact CA-O 3.42Å; V849-F859 PolarHBondContact N-O 2.88Å; V849-F859 PolarHBondContact O-N 2.77Å; P851-F859 HydrophobicContact CG-CD2 3.66Å; P851-F859 HydrophobicContact CG-CE2 3.49Å; P851-F859 VanDerWaalsContact CG-CE2 3.49Å; P857-F859 HydrophobicContact CG-CE2 4.12Å; P857-F859 HydrophobicContact CG-CZ 4.4Å; F859-Y882 HydrophobicContact CB-CD1 3.9Å; F859-Y882 HydrophobicContact CB-CE1 4.16Å; F859-Y882 HydrophobicContact CD1-CD1 4.03Å; F859-Y882 AromaticContact CD2-CD1 3.98Å; F859-Y882 HydrophobicContact CD2-CD1 3.98Å; F859-Y882 AromaticContact CG-CD1 3.69Å; F859-Y882 HydrophobicContact CG-CD1 3.69Å; F859-Y882 HydrophobicContact CG-CE1 4.44Å; F859-A883 WeakPolarHBondContact CE1-O 3.43Å; F859-T884 HydrophobicContact CE2-CG2 4.4Å; F859-T884 HydrophobicContact CZ-CG2 3.7Å
860H91.1Very high86.4Confident39 Ų3946.5 Ų46.518%0.18126%0.263CS..  trans-148.9158.117957.179000108.8T666 P847 T864T666-H860 WeakPolarHBondContact CB-O 3.37Å; T666-H860 PolarHBondContact O-N 3.49Å; T666-H860 PolarHBondContact OG1-O 3.25Å; P847-H860 WeakPolarHBondContact O-CA 3.39Å; P847-H860 WeakPolarHBondContact O-CB 3.37Å; H860-T864 HydrophobicContact CB-CG2 4.37Å; H860-T864 WeakPolarHBondContact ND1-CG2 3.27Å
861P87.5Confident86.2Confident0 Ų047.7 Ų47.70%027%0.27CS..  trans-62.2162.4169.528.5-37.4000111.7F571 W681 P847 Q863F571-P861 HydrophobicContact CD1-CB 3.67Å; F571-P861 HydrophobicContact CE1-CB 3.52Å; F571-P861 HydrophobicContact CE1-CG 4.05Å; F571-P861 HydrophobicContact CG-CB 4.3Å; F571-P861 HydrophobicContact CZ-CB 4.05Å; W681-P861 HydrophobicContact CD2-CB 4.33Å; W681-P861 HydrophobicContact CG-CB 4.05Å; P847-P861 HydrophobicContact CG-CG 3.73Å; P847-P861 WeakPolarHBondContact O-CD 3.42Å; P861-Q863 VanDerWaalsContact CG-O 3.28Å; P861-Q863 WeakPolarHBondContact CG-O 3.42Å; P861-Q863 PolarHBondContact O-N 3.2Å
862E82.6Confident86.2Confident32 Ų3247.5 Ų47.515%0.1527%0.269CS..SBendtrans-58.5-39178.9-65.167.5-140.500111.3F571 P572 T666 L675 P676F571-E862 WeakPolarHBondContact CB-OE2 3.43Å; P572-E862 HydrophobicContact CB-CB 4.44Å; P572-E862 VanDerWaalsContact O-CG 3.27Å; P572-E862 WeakPolarHBondContact O-CG 3.21Å; T666-E862 HydrophobicContact CG2-CG 3.72Å; T666-E862 WeakPolarHBondContact CG2-OE1 3.46Å; T666-E862 PolarHBondContact OG1-OE1 2.84Å; L675-E862 HydrophobicContact CD2-CB 4Å; L675-E862 HydrophobicContact CD2-CG 3.9Å; P676-E862 HydrophobicContact CG-CG 4.02Å; P676-E862 WeakPolarHBondContact CG-OE1 3.46Å
863Q83.2Confident86.5Confident81 Ų8147.9 Ų47.938%0.37927%0.27SS..SBendtrans-97.2104.2169.1-176.7174.7-1.200109.4F571 P861 E865 V866F571-Q863 HydrophobicContact CD1-CB 4.3Å; P861-Q863 VanDerWaalsContact CG-O 3.28Å; P861-Q863 WeakPolarHBondContact CG-O 3.42Å; P861-Q863 PolarHBondContact O-N 3.2Å; Q863-E865 WeakPolarHBondContact CG-O 3.42Å; Q863-E865 PolarHBondContact NE2-O 2.87Å; Q863-E865 PolarHBondContact O-N 3.25Å; Q863-V866 HydrophobicContact CB-CG2 4.41Å; Q863-V866 HydrophobicContact CG-CG2 3.96Å
864T81.4Confident87.1Confident60 Ų6045 Ų4537%0.36825%0.251SS..SBendtrans-70.4-27.2-173.250.10000114.3N846 H860N846-T864 VanDerWaalsContact CA-O 3.28Å; N846-T864 WeakPolarHBondContact CA-O 3.47Å; N846-T864 WeakPolarHBondContact CB-O 3.32Å; N846-T864 VanDerWaalsContact CG-O 3.27Å; N846-T864 PolarHBondContact OD1-O 2.75Å; N846-T864 VanDerWaalsContact OD1-O 3.1Å; H860-T864 HydrophobicContact CB-CG2 4.37Å; H860-T864 WeakPolarHBondContact ND1-CG2 3.27Å
865E86.6Confident87.9Confident104 Ų10440.5 Ų40.549%0.48622%0.222SC..  trans-126.2121.6178-66.1-171.6164.900110.4T844 L845 N846 Q863T844-E865 HydrophobicContact CG2-CB 4.03Å; L845-E865 WeakPolarHBondContact O-CA 3.34Å; N846-E865 HydrophobicContact CB-CG 4.37Å; Q863-E865 WeakPolarHBondContact CG-O 3.42Å; Q863-E865 PolarHBondContact NE2-O 2.87Å; Q863-E865 PolarHBondContact O-N 3.25Å
866V89.1Confident88.8Confident5 Ų534.3 Ų34.33%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-125.2118.6179.7-178.40000109.5I569 F571 L683 L845 Q863I569-V866 HydrophobicContact CD1-CG1 3.99Å; I569-V866 HydrophobicContact CG2-CG1 4.11Å; F571-V866 HydrophobicContact CE1-CG2 4.01Å; L683-V866 HydrophobicContact CD2-CG1 3.83Å; L845-V866 PolarHBondContact N-O 2.83Å; L845-V866 PolarHBondContact O-N 3.01Å; Q863-V866 HydrophobicContact CB-CG2 4.41Å; Q863-V866 HydrophobicContact CG-CG2 3.96Å
867T89.7Confident89.4Confident65 Ų6533.3 Ų33.340%0.39917%0.174SC..EExtended strand (participates in β ladder)trans-80.6126.2173.2-64.70000110.2E842E842-T867 HydrophobicContact CG-CG2 3.44Å; E842-T867 VanDerWaalsContact CG-CG2 3.44Å; E842-T867 WeakPolarHBondContact OE1-CG2 3.27Å; E842-T867 PolarHBondContact OE1-OG1 2.97Å
868L88.9Confident89.7Confident3 Ų332.4 Ų32.42%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-85.3134.5177.7-58.2179.8000110.4L683 V834 V836 I843 W874L683-L868 HydrophobicContact CD1-CD2 4.39Å; L683-L868 HydrophobicContact CD2-CD2 3.96Å; V834-L868 HydrophobicContact CB-CD1 4.1Å; V834-L868 HydrophobicContact CG1-CD1 3.81Å; V834-L868 HydrophobicContact CG2-CD1 4.48Å; V836-L868 HydrophobicContact CG2-CB 3.92Å; V836-L868 HydrophobicContact CG2-CD1 4.05Å; I843-L868 HydrophobicContact CG2-CD1 4.24Å; I843-L868 PolarHBondContact O-N 2.95Å; L868-W874 HydrophobicContact CD1-CB 4.45Å; L868-W874 HydrophobicContact CD1-CG 4.37Å; L868-W874 HydrophobicContact CD2-CB 4.45Å; L868-W874 HydrophobicContact CD2-CD2 4.08Å; L868-W874 HydrophobicContact CD2-CE3 4.46Å; L868-W874 HydrophobicContact CD2-CG 4.06Å
869L86.3Confident89.8Confident96 Ų9630 Ų3050%0.50316%0.155SC..PPolyproline II helixtrans-67.7146.3177.4-58.3171.2000111.6W874L869-W874 HydrophobicContact CB-CZ2 4.05Å; L869-W874 HydrophobicContact CD1-CZ2 4.35Å; L869-W874 HydrophobicContact CG-CZ2 4.3Å; L869-W874 PolarHBondContact O-NE1 3.36Å
870N84.8Confident89.8Confident69 Ų6932.1 Ų32.137%0.36916%0.163SC..SBendtrans-61.7156.7174.4-66.4-13000112A839 L841 G872A839-N870 PolarHBondContact O-ND2 2.7Å; A839-N870 VanDerWaalsContact O-ND2 3.13Å; L841-N870 PolarHBondContact O-OD1 3.02Å; N870-G872 VanDerWaalsContact C-N 3.34Å; N870-G872 PolarHBondContact O-N 2.89Å
871D89.1Confident89.8Confident50 Ų5030.5 Ų30.527%0.26716%0.157SC..SBendtrans50.248.4-173.3-168.328.9000113.4P688 A689 V836 P837 D838P688-D871 VanDerWaalsContact CA-O 3.32Å; P688-D871 WeakPolarHBondContact CA-O 3.4Å; A689-D871 VanDerWaalsContact CB-OD1 3.22Å; A689-D871 WeakPolarHBondContact CB-OD1 3.37Å; A689-D871 PolarHBondContact N-O 3.36Å; A689-D871 PolarHBondContact N-OD1 2.86Å; V836-D871 WeakPolarHBondContact O-CA 3.43Å; V836-D871 PolarHBondContact O-N 3.3Å; P837-D871 PolarHBondContact O-N 3.17Å; D838-D871 HydrophobicContact CB-CB 4.02Å
872G91.1Very high90Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-129134.3-174.800000113.6V836 N870V836-G872 PolarHBondContact N-O 3.09Å; V836-G872 PolarHBondContact O-N 2.78Å; V836-G872 VanDerWaalsContact O-N 3.14Å; N870-G872 VanDerWaalsContact C-N 3.34Å; N870-G872 PolarHBondContact O-N 2.89Å
873F94.1Very high90.3Very high12 Ų1229.5 Ų29.55%0.05315%0.154CC..EExtended strand (participates in β ladder)trans-99.8109.3164.6-179.4-160.3000109.7K685 L686 G687 S691 L698 L710 F833 V835K685-F873 CarbonylContact C-O 3.56Å; K685-F873 WeakPolarHBondContact CA-O 3.48Å; L686-F873 HydrophobicContact CB-CB 4.42Å; L686-F873 HydrophobicContact CB-CD1 3.67Å; L686-F873 HydrophobicContact CB-CE1 4.1Å; L686-F873 HydrophobicContact CB-CG 4.05Å; L686-F873 HydrophobicContact CD1-CD1 3.82Å; L686-F873 HydrophobicContact CD1-CD2 4.25Å; L686-F873 HydrophobicContact CD1-CE1 3.42Å; L686-F873 VanDerWaalsContact CD1-CE1 3.42Å; L686-F873 HydrophobicContact CD1-CE2 3.88Å; L686-F873 HydrophobicContact CD1-CG 4.23Å; L686-F873 HydrophobicContact CD1-CZ 3.45Å; L686-F873 VanDerWaalsContact CD1-CZ 3.45Å; L686-F873 HydrophobicContact CG-CD1 4.34Å; L686-F873 HydrophobicContact CG-CE1 4.38Å; L686-F873 PolarHBondContact N-O 3.44Å; G687-F873 PolarHBondContact O-N 3.32Å; S691-F873 WeakPolarHBondContact OG-CD1 3.33Å; L698-F873 HydrophobicContact CD2-CE1 4.15Å; L698-F873 HydrophobicContact CD2-CZ 3.57Å; L710-F873 HydrophobicContact CD1-CE2 4.18Å; L710-F873 HydrophobicContact CD1-CZ 4.48Å; F833-F873 HydrophobicContact CB-CE2 4.08Å; F833-F873 AromaticContact CD1-CE2 3.74Å; F833-F873 HydrophobicContact CD1-CE2 3.74Å; F833-F873 AromaticContact CD1-CZ 3.74Å; F833-F873 HydrophobicContact CD1-CZ 3.74Å; F833-F873 HydrophobicContact CE1-CZ 4.37Å; F833-F873 HydrophobicContact CG-CE2 4.34Å; V835-F873 HydrophobicContact CG2-CD2 3.54Å; V835-F873 HydrophobicContact CG2-CE2 3.89Å; V835-F873 HydrophobicContact CG2-CG 4.15Å
874W94.9Very high90.4Very high1 Ų127 Ų270%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-110.3151.6-173.3-61.992.7000112.5I569 L683 L684 K685 F833 V834 L868 L869I569-W874 HydrophobicContact CD1-CE3 4.29Å; I569-W874 HydrophobicContact CD1-CH2 3.66Å; I569-W874 HydrophobicContact CD1-CZ2 4.49Å; I569-W874 HydrophobicContact CD1-CZ3 3.53Å; I569-W874 HydrophobicContact CG1-CH2 4.04Å; I569-W874 HydrophobicContact CG1-CZ3 3.8Å; L683-W874 HydrophobicContact CD1-CB 4.41Å; L683-W874 HydrophobicContact CD1-CE3 4.23Å; L683-W874 HydrophobicContact CG-CE3 4.17Å; L684-W874 CarbonylContact O-C 3.33Å; L684-W874 WeakPolarHBondContact O-CA 3.5Å; K685-W874 HydrophobicContact CB-CD2 4.12Å; K685-W874 HydrophobicContact CB-CE3 3.76Å; K685-W874 HydrophobicContact CB-CH2 3.84Å; K685-W874 HydrophobicContact CB-CZ2 4.19Å; K685-W874 HydrophobicContact CB-CZ3 3.62Å; K685-W874 HydrophobicContact CD-CH2 3.98Å; K685-W874 HydrophobicContact CD-CZ2 3.82Å; K685-W874 HydrophobicContact CG-CD2 4.13Å; K685-W874 HydrophobicContact CG-CE3 4.28Å; K685-W874 HydrophobicContact CG-CH2 4.12Å; K685-W874 HydrophobicContact CG-CZ2 3.96Å; K685-W874 HydrophobicContact CG-CZ3 4.28Å; F833-W874 WeakPolarHBondContact CA-O 3.33Å; V834-W874 HydrophobicContact CB-CB 4.48Å; V834-W874 PolarHBondContact N-O 3.22Å; V834-W874 PolarHBondContact O-N 2.82Å; L868-W874 HydrophobicContact CD1-CB 4.45Å; L868-W874 HydrophobicContact CD1-CG 4.37Å; L868-W874 HydrophobicContact CD2-CB 4.45Å; L868-W874 HydrophobicContact CD2-CD2 4.08Å; L868-W874 HydrophobicContact CD2-CE3 4.46Å; L868-W874 HydrophobicContact CD2-CG 4.06Å; L869-W874 HydrophobicContact CB-CZ2 4.05Å; L869-W874 HydrophobicContact CD1-CZ2 4.35Å; L869-W874 HydrophobicContact CG-CZ2 4.3Å; L869-W874 PolarHBondContact O-NE1 3.36Å
875V95.4Very high90.2Very high0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-135.5122.8170.461.20000110.4L683 L684 L686 R831 L832 F833L683-V875 WeakPolarHBondContact CA-O 3.41Å; L684-V875 HydrophobicContact CB-CG1 3.93Å; L684-V875 PolarHBondContact N-O 3.48Å; L684-V875 PolarHBondContact O-N 3.31Å; L686-V875 HydrophobicContact CD1-CB 4.16Å; L686-V875 HydrophobicContact CD1-CG1 4.04Å; L686-V875 HydrophobicContact CD2-CG1 3.8Å; L686-V875 HydrophobicContact CG-CB 4.44Å; L686-V875 HydrophobicContact CG-CG1 3.88Å; R831-V875 HydrophobicContact CB-CG2 3.99Å; R831-V875 HydrophobicContact CG-CG2 4.38Å; L832-V875 CarbonylContact O-C 3.5Å; L832-V875 WeakPolarHBondContact O-CA 3.3Å; F833-V875 HydrophobicContact CD1-CB 3.83Å; F833-V875 HydrophobicContact CD1-CG2 3.76Å; F833-V875 HydrophobicContact CE1-CB 3.89Å; F833-V875 HydrophobicContact CE1-CG2 3.56Å; F833-V875 HydrophobicContact CG-CG2 4.37Å; F833-V875 HydrophobicContact CZ-CG2 4.02Å
876L95.4Very high89.6Confident2 Ų235 Ų351%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-94.9128.1168.1177.374.4000108.8F571 W681 S682 L683 R831 L832 L845 P847 F878F571-L876 HydrophobicContact CE2-CD1 4.42Å; F571-L876 HydrophobicContact CZ-CD1 4.2Å; W681-L876 HydrophobicContact CE3-CD1 4.4Å; S682-L876 CarbonylContact O-C 3.57Å; S682-L876 WeakPolarHBondContact O-CA 3.5Å; L683-L876 HydrophobicContact CB-CD1 4.32Å; L683-L876 HydrophobicContact CD1-CB 4.15Å; R831-L876 CarbonylContact C-O 3.56Å; R831-L876 WeakPolarHBondContact CA-O 3.21Å; L832-L876 HydrophobicContact CB-CB 4.29Å; L832-L876 PolarHBondContact N-O 3.19Å; L832-L876 PolarHBondContact O-N 3.06Å; L845-L876 HydrophobicContact CD1-CD2 4.32Å; L845-L876 HydrophobicContact CD2-CB 4.35Å; L845-L876 HydrophobicContact CD2-CD1 4.22Å; L845-L876 HydrophobicContact CD2-CD2 4.12Å; L845-L876 HydrophobicContact CD2-CG 4.45Å; P847-L876 HydrophobicContact CB-CD2 3.84Å; P847-L876 HydrophobicContact CG-CD2 3.76Å; L876-F878 HydrophobicContact CD2-CE1 4.26Å; L876-F878 HydrophobicContact CD2-CE2 4.49Å; L876-F878 HydrophobicContact CD2-CZ 4.11Å
877R94.8Very high89.2Confident7 Ų736.1 Ų36.13%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-97.1126.2169.5-177.6-87.8-70.1-164.63.7109.8N533 N551 Y555 S680 S682N533-R877 PolarHBondContact OD1-NE 3.14Å; N533-R877 PolarHBondContact OD1-NH2 2.95Å; N551-R877 PolarHBondContact O-NH1 3.36Å; N551-R877 PolarHBondContact O-NH2 3.47Å; Y555-R877 VanDerWaalsContact CD2-CZ 3.44Å; Y555-R877 HydrophobicContact CE1-CG 4.36Å; Y555-R877 VanDerWaalsContact CE2-CZ 3.46Å; S680-R877 PolarHBondContact O-NH1 3.29Å; S682-R877 PolarHBondContact N-O 2.88Å; S682-R877 PolarHBondContact O-N 3.4Å
878F94.9Very high89Confident2 Ų235.1 Ų35.11%0.00917%0.174CC..PPolyproline II helixtrans-80.2151.6174-67.4-89.5000111.2W681 L829 A830 L832 P847 V849 L876 V903 I907W681-F878 HydrophobicContact CE3-CD1 4.47Å; W681-F878 HydrophobicContact CH2-CD1 4.05Å; W681-F878 AromaticContact CZ3-CD1 3.47Å; W681-F878 HydrophobicContact CZ3-CD1 3.47Å; W681-F878 VanDerWaalsContact CZ3-CD1 3.47Å; W681-F878 HydrophobicContact CZ3-CE1 4.01Å; W681-F878 HydrophobicContact CZ3-CG 4.28Å; L829-F878 HydrophobicContact CD2-CD2 4.28Å; L829-F878 HydrophobicContact CD2-CE2 3.87Å; L829-F878 HydrophobicContact CD2-CZ 4.02Å; L829-F878 HydrophobicContact CG-CD2 4.21Å; L829-F878 HydrophobicContact CG-CE2 4.11Å; A830-F878 PolarHBondContact O-N 2.79Å; L832-F878 HydrophobicContact CB-CE2 3.81Å; L832-F878 HydrophobicContact CB-CZ 4.24Å; P847-F878 HydrophobicContact CB-CE1 4.45Å; V849-F878 HydrophobicContact CG2-CD1 3.89Å; V849-F878 HydrophobicContact CG2-CE1 4.06Å; L876-F878 HydrophobicContact CD2-CE1 4.26Å; L876-F878 HydrophobicContact CD2-CE2 4.49Å; L876-F878 HydrophobicContact CD2-CZ 4.11Å; F878-V903 HydrophobicContact CE1-CG1 4.14Å; F878-V903 HydrophobicContact CE1-CG2 4.14Å; F878-V903 HydrophobicContact CZ-CG1 4.38Å; F878-I907 HydrophobicContact CE1-CD1 4.07Å; F878-I907 HydrophobicContact CZ-CD1 3.73Å
879P93.9Very high89Confident1 Ų136.3 Ų36.31%0.00618%0.182CC..PPolyproline II helixtrans-54.2141.4171.3-25.333.1000112.2M665 W681 Y882M665-P879 HydrophobicContact CE-CB 3.48Å; M665-P879 VanDerWaalsContact CE-CB 3.48Å; M665-P879 HydrophobicContact CE-CG 3.45Å; M665-P879 VanDerWaalsContact CE-CG 3.45Å; W681-P879 HydrophobicContact CD2-CG 3.86Å; W681-P879 HydrophobicContact CE3-CG 4.26Å; W681-P879 HydrophobicContact CG-CG 4.39Å; W681-P879 HydrophobicContact CH2-CG 4.15Å; W681-P879 HydrophobicContact CZ2-CG 3.74Å; W681-P879 HydrophobicContact CZ3-CG 4.41Å; P879-Y882 HydrophobicContact CB-CD1 4.33Å; P879-Y882 HydrophobicContact CB-CE1 3.84Å; P879-Y882 HydrophobicContact CB-CE2 4.36Å; P879-Y882 HydrophobicContact CG-CE1 3.83Å; P879-Y882 PolarHBondContact O-OH 3.19Å
880Y91.6Very high89Confident45 Ų4535 Ų3518%0.17617%0.172CC..SBendtrans-75.6-43.6175.7176.5-96.1000110.8T493 R541 P544 A550 N551 Q828T493-Y880 HydrophobicContact CG2-CE1 4.48Å; R541-Y880 VanDerWaalsContact NH1-CD2 3.34Å; P544-Y880 HydrophobicContact CG-CD1 4.33Å; P544-Y880 HydrophobicContact CG-CE1 3.93Å; A550-Y880 HydrophobicContact CB-CD1 4.14Å; N551-Y880 PolarHBondContact OD1-N 3.17Å; Q828-Y880 PolarHBondContact NE2-O 3.41Å; Q828-Y880 PolarHBondContact OE1-O 2.64Å
881S91.7Very high89.1Confident6 Ų633.7 Ų33.74%0.04217%0.168CC..SBendtrans-123.5152.4174.8-175.60000110.6N551 M665N551-S881 PolarHBondContact ND2-O 3.1Å; N551-S881 PolarHBondContact OD1-N 3.02Å; N551-S881 VanDerWaalsContact OD1-N 3.07Å; M665-S881 VanDerWaalsContact SD-O 3.35Å
882Y91.3Very high88.9Confident1 Ų131.8 Ų31.80%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-120.5132.7178.9-60.9-94.9000108.4M665 L811 V849 P851 F859 P879 C889M665-Y882 HydrophobicContact CE-CD1 3.97Å; M665-Y882 HydrophobicContact CE-CE1 4.4Å; L811-Y882 HydrophobicContact CD1-CE2 4.32Å; L811-Y882 HydrophobicContact CD2-CD2 4.42Å; L811-Y882 HydrophobicContact CD2-CE2 3.96Å; V849-Y882 HydrophobicContact CB-CE1 3.98Å; V849-Y882 HydrophobicContact CG1-CE1 3.78Å; V849-Y882 HydrophobicContact CG1-CE2 4.4Å; V849-Y882 HydrophobicContact CG2-CE1 4.45Å; P851-Y882 HydrophobicContact CB-CD2 3.91Å; P851-Y882 HydrophobicContact CB-CG 3.88Å; P851-Y882 HydrophobicContact CG-CD1 4.33Å; P851-Y882 HydrophobicContact CG-CD2 4.48Å; P851-Y882 HydrophobicContact CG-CG 3.94Å; F859-Y882 HydrophobicContact CB-CD1 3.9Å; F859-Y882 HydrophobicContact CB-CE1 4.16Å; F859-Y882 HydrophobicContact CD1-CD1 4.03Å; F859-Y882 AromaticContact CD2-CD1 3.98Å; F859-Y882 HydrophobicContact CD2-CD1 3.98Å; F859-Y882 AromaticContact CG-CD1 3.69Å; F859-Y882 HydrophobicContact CG-CD1 3.69Å; F859-Y882 HydrophobicContact CG-CE1 4.44Å; P879-Y882 HydrophobicContact CB-CD1 4.33Å; P879-Y882 HydrophobicContact CB-CE1 3.84Å; P879-Y882 HydrophobicContact CB-CE2 4.36Å; P879-Y882 HydrophobicContact CG-CE1 3.83Å; P879-Y882 PolarHBondContact O-OH 3.19Å; Y882-C889 WeakPolarHBondContact O-CB 3.41Å; Y882-C889 PolarHBondContact O-N 2.81Å
883A88.6Confident88.5Confident10 Ų1036.9 Ų36.98%0.08318%0.18CC..EExtended strand (participates in β ladder)trans-143.1145.3177.900000112.3I547 F859 P888I547-A883 HydrophobicContact CD1-CB 3.44Å; I547-A883 VanDerWaalsContact CD1-CB 3.44Å; I547-A883 HydrophobicContact CG1-CB 3.62Å; F859-A883 WeakPolarHBondContact CE1-O 3.43Å; A883-P888 HydrophobicContact CB-CB 4.27Å
884T84.5Confident87.3Confident28 Ų2841.4 Ų41.417%0.17220%0.202CC..EExtended strand (participates in β ladder)trans-109.4176.5173.266.50000109.3P857 F859 R886 G887P857-T884 HydrophobicContact CG-CG2 3.54Å; F859-T884 HydrophobicContact CE2-CG2 4.4Å; F859-T884 HydrophobicContact CZ-CG2 3.7Å; T884-R886 PolarHBondContact O-N 2.97Å; T884-R886 PolarHBondContact OG1-N 3.4Å; T884-G887 PolarHBondContact N-O 2.94Å; T884-G887 PolarHBondContact O-N 2.84Å; T884-G887 PolarHBondContact OG1-O 2.71Å
885E77.4Confident86Confident92 Ų9249 Ų4943%0.4324%0.242SC..THydrogen-bonded Turntrans-60.9-22171.4-60.1-179.8-172.100113G887E885-G887 VanDerWaalsContact C-N 3.27Å; E885-G887 PolarHBondContact O-N 2.61Å
886R73.9Confident85.1Confident240 Ų24053 Ų5391%0.90626%0.261SS*.THydrogen-bonded Turntrans-83-1.7175.5-59-176.1-178.1-166.6-0.1113.4T884T884-R886 PolarHBondContact O-N 2.97Å; T884-R886 PolarHBondContact OG1-N 3.4Å
887G81Confident84.3Confident28 Ų2856.4 Ų56.429%0.28928%0.283SS..EExtended strand (participates in β ladder)trans115.7-178.8-177.900000114.2T884 E885T884-G887 PolarHBondContact N-O 2.94Å; T884-G887 PolarHBondContact O-N 2.84Å; T884-G887 PolarHBondContact OG1-O 2.71Å; E885-G887 VanDerWaalsContact C-N 3.27Å; E885-G887 PolarHBondContact O-N 2.61Å
888P86Confident83.8Confident45 Ų4558.1 Ų58.129%0.29229%0.293SS..EExtended strand (participates in β ladder)trans-75.1145.6-175.931.5-36.2000113.4L492 A883 F890L492-P888 HydrophobicContact CD2-CB 3.42Å; L492-P888 VanDerWaalsContact CD2-CB 3.42Å; L492-P888 HydrophobicContact CD2-CG 3.91Å; A883-P888 HydrophobicContact CB-CB 4.27Å; P888-F890 HydrophobicContact CG-CD1 4.49Å; P888-F890 HydrophobicContact CG-CE1 3.78Å; P888-F890 HydrophobicContact CG-CE2 4.27Å; P888-F890 HydrophobicContact CG-CZ 3.66Å; P888-F890 PolarHBondContact O-N 3.12Å
889C87.9Confident83.2Confident27 Ų2762 Ų6218%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-84.299.9168.7-63.90000108.8P851 Y882P851-C889 HydrophobicContact CB-CB 4.1Å; P851-C889 HydrophobicContact CG-CB 3.99Å; Y882-C889 WeakPolarHBondContact O-CB 3.41Å; Y882-C889 PolarHBondContact O-N 2.81Å
890F87.4Confident82.7Confident68 Ų6865.3 Ų65.330%0.29834%0.336SS..PPolyproline II helixtrans-67.1149.4-178.5-62.9-67.6000112.6S491 D494 P888S491-F890 WeakPolarHBondContact O-CE1 3.22Å; D494-F890 HydrophobicContact CB-CB 4.45Å; D494-F890 HydrophobicContact CB-CD1 3.78Å; D494-F890 HydrophobicContact CB-CE1 4.26Å; D494-F890 HydrophobicContact CB-CG 4.16Å; P888-F890 HydrophobicContact CG-CD1 4.49Å; P888-F890 HydrophobicContact CG-CE1 3.78Å; P888-F890 HydrophobicContact CG-CE2 4.27Å; P888-F890 HydrophobicContact CG-CZ 3.66Å; P888-F890 PolarHBondContact O-N 3.12Å
891P86.8Confident82.7Confident43 Ų4363.9 Ų63.928%0.27933%0.33SS..PPolyproline II helixtrans-55.1152.1171-24.233.5000112.5L492 Y812L492-P891 WeakPolarHBondContact O-CD 3.42Å; Y812-P891 HydrophobicContact CE1-CB 4.42Å
892P85.4Confident82.8Confident9 Ų965.9 Ų65.96%0.05834%0.338CS..PPolyproline II helixtrans-62.6138-177.624.1-33.2000112.2Y812 Q896 L898 Y901Y812-P892 HydrophobicContact CD2-CG 3.68Å; Y812-P892 VanDerWaalsContact CE2-CD 3.45Å; Y812-P892 HydrophobicContact CE2-CG 4.3Å; Y812-P892 HydrophobicContact CG-CG 3.86Å; P892-Q896 HydrophobicContact CB-CB 4.44Å; P892-L898 HydrophobicContact CB-CD2 3.79Å; P892-L898 HydrophobicContact CG-CD2 3.58Å; P892-Y901 HydrophobicContact CB-CD2 4.26Å; P892-Y901 HydrophobicContact CB-CE1 4.36Å; P892-Y901 HydrophobicContact CB-CE2 3.82Å
893K80.6Confident82.9Confident108 Ų10865.9 Ų65.947%0.4734%0.338SS..PPolyproline II helixtrans-81.7159.3170.4-61.5-173.9-179.9-170.10110.3D494 N895 Q896D494-K893 WeakPolarHBondContact OD2-CE 3.22Å; D494-K893 IonicContact OD2-NZ 2.81Å; D494-K893 PolarHBondContact OD2-NZ 2.87Å; K893-N895 PolarHBondContact O-N 3.11Å; K893-Q896 HydrophobicContact CB-CG 4.47Å; K893-Q896 PolarHBondContact O-N 3.13Å
894E69.4Low83Confident106 Ų10666.9 Ų66.950%0.49534%0.342SS..THydrogen-bonded Turntrans-50-26.1-176.5-74.9172.7-173.500114.7K823 P824K823-E894 WeakPolarHBondContact CB-OE1 3.45Å; K823-E894 WeakPolarHBondContact CD-OE1 3.4Å; K823-E894 VanDerWaalsContact CG-OE1 3.22Å; K823-E894 WeakPolarHBondContact CG-OE1 3.33Å; P824-E894 WeakPolarHBondContact CD-OE1 3.46Å; P824-E894 HydrophobicContact CG-CG 4Å
895N67.4Low83.2Confident161 Ų16174.1 Ų74.186%0.86137%0.366SS*.THydrogen-bonded Turntrans-97.95.2-177-61.4-17.4000114.6K893K893-N895 PolarHBondContact O-N 3.11Å
896Q77Confident83.6Confident83 Ų8371.8 Ų71.839%0.38837%0.366SS..SBendtrans-100.4141.3-174.2-71.7178-21.500112.8P892 K893 L898 Y901P892-Q896 HydrophobicContact CB-CB 4.44Å; K893-Q896 HydrophobicContact CB-CG 4.47Å; K893-Q896 PolarHBondContact O-N 3.13Å; Q896-L898 PolarHBondContact O-N 2.9Å; Q896-Y901 PolarHBondContact OE1-OH 3.46Å
897P79.6Confident84.3Confident74 Ų7460.5 Ų60.548%0.48132%0.324SS..  trans-70.6121.4177.528.7-33.1000111.1S899P897-S899 PolarHBondContact O-N 3.27Å
898L83.1Confident84.8Confident44 Ų4459.7 Ų59.723%0.2331%0.313CS..G310 helixtrans-68.7-16.5179.6-61179.3000113.5F826 P892 Q896 H900 Y901F826-L898 HydrophobicContact CD1-CD1 4.39Å; F826-L898 HydrophobicContact CE1-CD1 3.96Å; F826-L898 HydrophobicContact CE1-CD2 4.13Å; F826-L898 HydrophobicContact CZ-CD2 4.45Å; P892-L898 HydrophobicContact CB-CD2 3.79Å; P892-L898 HydrophobicContact CG-CD2 3.58Å; Q896-L898 PolarHBondContact O-N 2.9Å; L898-H900 PolarHBondContact O-N 3.49Å; L898-Y901 PolarHBondContact O-N 3.03Å
899S82Confident84.9Confident84 Ų8465.2 Ų65.259%0.58733%0.328SS*.G310 helixtrans-61.3-17.4179.3520000113.9P897P897-S899 PolarHBondContact O-N 3.27Å
900H84.9Confident84.8Confident70 Ų7065.4 Ų65.432%0.32433%0.332SS..G310 helixtrans-88.3-9.6178.2-66.1-153.1000112.6G852 P853 L898G852-H900 CarbonylContact C-O 3.5Å; G852-H900 PolarHBondContact N-O 3.45Å; G852-H900 VanDerWaalsContact O-O 3.13Å; P853-H900 WeakPolarHBondContact CA-ND1 3.22Å; P853-H900 VanDerWaalsContact CB-ND1 3.35Å; P853-H900 WeakPolarHBondContact CB-ND1 3.27Å; L898-H900 PolarHBondContact O-N 3.49Å
901Y91.1Very high84.6Confident14 Ų1465 Ų656%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-110.298.9-179.5-64-98.4000108.6P810 L811 Y812 Q850 P851 P892 Q896 L898P810-Y901 CarbonylContact C-O 3.58Å; P810-Y901 WeakPolarHBondContact CA-O 3.4Å; L811-Y901 PolarHBondContact N-O 3.22Å; Y812-Y901 AromaticContact CD2-CD1 3.85Å; Y812-Y901 HydrophobicContact CD2-CD1 3.85Å; Y812-Y901 HydrophobicContact CD2-CG 4.08Å; Y812-Y901 AromaticContact CE2-CD1 3.75Å; Y812-Y901 HydrophobicContact CE2-CD1 3.75Å; Y812-Y901 HydrophobicContact CE2-CE1 4.38Å; Y812-Y901 HydrophobicContact CE2-CG 4.42Å; Q850-Y901 CarbonylContact O-C 3.47Å; Q850-Y901 WeakPolarHBondContact O-CA 3.4Å; P851-Y901 VanDerWaalsContact C-CD1 3.45Å; P851-Y901 WeakPolarHBondContact O-CD1 3.32Å; P851-Y901 WeakPolarHBondContact O-CE1 3.32Å; P892-Y901 HydrophobicContact CB-CD2 4.26Å; P892-Y901 HydrophobicContact CB-CE1 4.36Å; P892-Y901 HydrophobicContact CB-CE2 3.82Å; Q896-Y901 PolarHBondContact OE1-OH 3.46Å; L898-Y901 PolarHBondContact O-N 3.03Å
902K92.7Very high84.1Confident49 Ų4965.8 Ų65.821%0.21334%0.339CS..EExtended strand (participates in β ladder)trans-151.3150.8-168.259.3-177.7-1751680114D808 M809 Q850 L904D808-K902 HydrophobicContact CB-CB 4.39Å; D808-K902 HydrophobicContact CB-CD 3.95Å; D808-K902 WeakPolarHBondContact OD2-CD 3.48Å; D808-K902 IonicContact OD2-NZ 2.67Å; D808-K902 PolarHBondContact OD2-NZ 2.89Å; M809-K902 CarbonylContact O-C 3.57Å; M809-K902 VanDerWaalsContact O-CA 3.3Å; M809-K902 WeakPolarHBondContact O-CA 3.03Å; Q850-K902 HydrophobicContact CB-CG 4.26Å; Q850-K902 PolarHBondContact N-O 3.01Å; Q850-K902 PolarHBondContact O-N 3.04Å; K902-L904 HydrophobicContact CD-CD2 4.2Å; K902-L904 HydrophobicContact CG-CD2 4.22Å
903V93.3Very high82.9Confident1 Ų167.3 Ų67.31%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-90.4125160.4-176.30000107.4D808 M809 L829 Q848 V849 F878 I907D808-V903 CarbonylContact C-O 3.58Å; D808-V903 WeakPolarHBondContact CA-O 3.04Å; M809-V903 HydrophobicContact CB-CB 4.43Å; M809-V903 PolarHBondContact N-O 3.19Å; M809-V903 PolarHBondContact O-N 2.91Å; L829-V903 HydrophobicContact CD2-CB 4.23Å; L829-V903 HydrophobicContact CD2-CG2 3.34Å; Q848-V903 WeakPolarHBondContact O-CA 3.43Å; V849-V903 HydrophobicContact CG1-CG2 4.49Å; V849-V903 HydrophobicContact CG2-CG1 4.47Å; V849-V903 HydrophobicContact CG2-CG2 3.94Å; F878-V903 HydrophobicContact CE1-CG1 4.14Å; F878-V903 HydrophobicContact CE1-CG2 4.14Å; F878-V903 HydrophobicContact CZ-CG1 4.38Å; V903-I907 HydrophobicContact CG1-CD1 3.91Å
904L91Very high81.6Confident31 Ų3169.1 Ų69.116%0.16237%0.367CS..PPolyproline II helixtrans-68.2143.3-175.1-59.4-178.9000110.7Q848 I858 K902Q848-L904 HydrophobicContact CB-CB 4.13Å; Q848-L904 HydrophobicContact CB-CD1 3.94Å; Q848-L904 HydrophobicContact CB-CG 4.22Å; Q848-L904 PolarHBondContact O-N 3.01Å; I858-L904 HydrophobicContact CD1-CD1 3.94Å; I858-L904 HydrophobicContact CG1-CD1 4.41Å; I858-L904 HydrophobicContact CG2-CD1 4.16Å; K902-L904 HydrophobicContact CD-CD2 4.2Å; K902-L904 HydrophobicContact CG-CD2 4.22Å
905R89.6Confident80.4Confident179 Ų17969.2 Ų69.268%0.67538%0.377SS*.SBendtrans-55.9154.7174.467.4-174.9-179.5-174.4-2.4111.8D808D808-R905 WeakPolarHBondContact OD1-CB 3.18Å; D808-R905 PolarHBondContact OD1-N 2.88Å
906G84.8Confident79.1Confident43 Ų4367.6 Ų67.644%0.44338%0.376SS..  trans84.219.5178.400000114.8L805 L908L805-G906 PolarHBondContact O-N 2.99Å; G906-L908 PolarHBondContact O-N 3.24Å
907I89.8Confident76.9Confident4 Ų476.4 Ų76.42%0.02142%0.417CS..SBendtrans-58.1-26.6175.3-173.8160.3000113.9F770 L805 L832 L845 N846 P847 F878 V903F770-I907 HydrophobicContact CE1-CG2 4.18Å; F770-I907 HydrophobicContact CZ-CG2 3.73Å; L805-I907 HydrophobicContact CD2-CG2 4.41Å; L832-I907 HydrophobicContact CD2-CD1 3.74Å; L832-I907 HydrophobicContact CD2-CG1 4.01Å; L832-I907 HydrophobicContact CD2-CG2 4.44Å; L845-I907 CarbonylContact C-O 3.54Å; L845-I907 WeakPolarHBondContact CA-O 3.38Å; L845-I907 HydrophobicContact CD1-CD1 4.5Å; L845-I907 HydrophobicContact CD1-CG1 3.88Å; N846-I907 PolarHBondContact N-O 3.15Å; N846-I907 WeakPolarHBondContact O-CA 3.36Å; P847-I907 HydrophobicContact CB-CD1 3.94Å; P847-I907 HydrophobicContact CB-CG1 4.32Å; F878-I907 HydrophobicContact CE1-CD1 4.07Å; F878-I907 HydrophobicContact CZ-CD1 3.73Å; V903-I907 HydrophobicContact CG1-CD1 3.91Å
908L90.9Very high76.8Confident11 Ų1176.6 Ų76.66%0.05841%0.414CS..EExtended strand (participates in β ladder)trans-125.8133.3175.6-71.5168.7000109.9W713 V768 L805 L832 V834 I843 T844 L845 G906W713-L908 HydrophobicContact CH2-CB 4.16Å; W713-L908 HydrophobicContact CZ3-CB 4.24Å; V768-L908 HydrophobicContact CG1-CD1 3.9Å; V768-L908 HydrophobicContact CG2-CD1 3.88Å; L805-L908 HydrophobicContact CD2-CB 3.94Å; L805-L908 HydrophobicContact CD2-CD1 3.93Å; L805-L908 HydrophobicContact CD2-CG 4.37Å; L832-L908 HydrophobicContact CD2-CD1 4.26Å; L832-L908 HydrophobicContact CD2-CG 4.44Å; V834-L908 HydrophobicContact CG1-CD1 4.22Å; V834-L908 HydrophobicContact CG1-CD2 4.45Å; V834-L908 HydrophobicContact CG2-CD1 3.78Å; V834-L908 HydrophobicContact CG2-CD2 4.22Å; I843-L908 HydrophobicContact CG2-CD2 3.93Å; T844-L908 WeakPolarHBondContact O-CA 3.43Å; L845-L908 HydrophobicContact CB-CD2 4.18Å; L845-L908 HydrophobicContact CD1-CD2 3.63Å; L845-L908 HydrophobicContact CD1-CG 4.25Å; G906-L908 PolarHBondContact O-N 3.24Å
909R87.9Confident76.5Confident161 Ų16178.3 Ų78.361%0.60842%0.423SS*.EExtended strand (participates in β ladder)trans-124.4137.1172.2-171.8-178.9-63.2179.44.4108.8I843 T844I843-R909 CarbonylContact C-O 3.59Å; I843-R909 WeakPolarHBondContact CA-O 3.45Å; T844-R909 PolarHBondContact N-O 2.96Å; T844-R909 PolarHBondContact O-N 2.9Å
910A85.1Confident76.2Confident31 Ų3177.9 Ų77.926%0.25641%0.414SS..EExtended strand (participates in β ladder)trans-115.3129173.100000109.7W713 L715 E842 I843W713-A910 HydrophobicContact CH2-CB 3.58Å; W713-A910 HydrophobicContact CZ2-CB 3.84Å; W713-A910 HydrophobicContact CZ3-CB 4.32Å; L715-A910 HydrophobicContact CD1-CB 3.81Å; L715-A910 HydrophobicContact CD2-CB 3.49Å; L715-A910 VanDerWaalsContact CD2-CB 3.49Å; L715-A910 HydrophobicContact CG-CB 4.3Å; E842-A910 CarbonylContact O-C 3.12Å; E842-A910 WeakPolarHBondContact O-CA 3.41Å; I843-A910 HydrophobicContact CG1-CB 4.3Å
911T83.1Confident75.7Confident60 Ų6078.4 Ų78.437%0.36842%0.419SS..EExtended strand (participates in β ladder)trans-122.7151173.4410000109.5E842E842-T911 PolarHBondContact N-O 2.96Å; E842-T911 PolarHBondContact O-N 2.99Å
912T76.8Confident74.7Confident58 Ų5882.4 Ų82.436%0.35644%0.442SS..EExtended strand (participates in β ladder)trans-74.1126.9169.946.40000108.3I717 N914I717-T912 HydrophobicContact CG2-CG2 4.37Å; T912-N914 PolarHBondContact O-N 3.12Å
913A61.6Low73.5Confident42 Ų4284.7 Ų84.735%0.34746%0.457SS..PPolyproline II helixtrans-66.5121.6177.400000109.1P840P840-A913 PolarHBondContact O-N 3.23Å; P840-A913 VanDerWaalsContact O-N 3.08Å
914N53.2Low72.1Confident145 Ų14590.6 Ų90.678%0.77549%0.49SS*.PPolyproline II helixtrans-71.6134.2165.6-79.2-15.6000107.8T912T912-N914 PolarHBondContact O-N 3.12Å
915P44.3Very low70.6Confident109 Ų10995.2 Ų95.271%0.70852%0.515SS*.PPolyproline II helixtrans-59.8144.7176.225.3-32.1000109.8Q917P915-Q917 PolarHBondContact O-N 2.7Å
916P39.5Very low69Low127 Ų12788.3 Ų88.383%0.82550%0.501SS*.PPolyproline II helixtrans-58.5132.1171.225.6-32000108.8
917Q31.4Very low67.6Low268 Ų26892.4 Ų92.4100%1.25251%0.507SS*.  trans-67.70167.5-84.9-171.3-2200110.8P915P915-Q917 PolarHBondContact O-N 2.7Å

Retrieved 917 of 917 residues in 406.5 ms (Link to these results)

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