Z4YN17_MOUSE Loading...

XIAP associated factor 1

AlphaFold DB , UniProt , Accession Z4YN17, Species MOUSE (Mus musculus, Mouse), Gene Xaf1, Length 207 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
1M59.3Low86.9Confident241 Ų241104.8 Ų104.8100%1.18752%0.519SS*.  0113.50-173.3165.2-177.400105.5
2E64.2Low87.5Confident194 Ų194108 Ų10891%0.90753%0.527SS*.PPolyproline II helixtrans-75.5131.5-179.9-57.7-122.3122.600108.3
3A75.8Confident88Confident69 Ų69109.2 Ų109.257%0.5752%0.523SS*.PPolyproline II helixtrans-82.3119.9177.600000109.1F5A3-F5 HydrophobicContact CB-CE2 4Å; A3-F5 HydrophobicContact CB-CZ 4.16Å; A3-F5 VanDerWaalsContact O-CD2 3.22Å; A3-F5 WeakPolarHBondContact O-CD2 3.33Å; A3-F5 WeakPolarHBondContact O-CE2 3.38Å
4D92.6Very high88.5Confident114 Ų114109.8 Ų109.861%0.6153%0.53SS*.PPolyproline II helixtrans-82.3142.9176.2-167.7-104.7000110.1A16 S17D4-A16 CarbonylContact O-C 3.6Å; D4-A16 WeakPolarHBondContact O-CA 3.21Å; D4-S17 WeakPolarHBondContact O-CB 3.26Å; D4-S17 PolarHBondContact O-N 2.71Å; D4-S17 PolarHBondContact O-OG 3.47Å; D4-S17 WeakPolarHBondContact OD1-CB 3.49Å; D4-S17 PolarHBondContact OD1-OG 3.16Å
5F95.1Very high88.8Confident121 Ų121103.6 Ų103.653%0.53150%0.502SS..EExtended strand (participates in β ladder)trans-127.8145.6-176.7-64.8-90.8000111.6A3 V15 A16A3-F5 HydrophobicContact CB-CE2 4Å; A3-F5 HydrophobicContact CB-CZ 4.16Å; A3-F5 VanDerWaalsContact O-CD2 3.22Å; A3-F5 WeakPolarHBondContact O-CD2 3.33Å; A3-F5 WeakPolarHBondContact O-CE2 3.38Å; F5-V15 CarbonylContact C-O 3.23Å; F5-V15 WeakPolarHBondContact CA-O 3.17Å; F5-A16 HydrophobicContact CD1-CB 4.37Å; F5-A16 HydrophobicContact CE1-CB 4.3Å
6Q95.5Very high89.2Confident80 Ų8099 Ų9937%0.37449%0.486SS..EExtended strand (participates in β ladder)trans-124.7145174.6-75.9172.754.800110.7V15 S17 F20Q6-V15 PolarHBondContact N-O 3.42Å; Q6-V15 PolarHBondContact O-N 3.22Å; Q6-S17 WeakPolarHBondContact CG-OG 3.38Å; Q6-S17 PolarHBondContact NE2-OG 3.17Å; Q6-F20 HydrophobicContact CB-CD2 3.37Å; Q6-F20 HydrophobicContact CB-CE2 3.6Å; Q6-F20 HydrophobicContact CB-CG 3.91Å; Q6-F20 HydrophobicContact CB-CZ 4.3Å; Q6-F20 HydrophobicContact CG-CD2 4.49Å
7V95.9Very high89.6Confident82 Ų8294.9 Ų94.950%0.49747%0.47SS..EExtended strand (participates in β ladder)trans-89.3122.4178.1-179.40000109.8R9 R13 N14V7-R9 PolarHBondContact O-N 3.47Å; V7-R13 WeakPolarHBondContact CA-O 3.41Å; V7-N14 VanDerWaalsContact CG2-OD1 3.25Å; V7-N14 WeakPolarHBondContact CG2-OD1 3.34Å
8C95.8Very high89.8Confident1 Ų198.3 Ų98.31%0.00749%0.489CS..  trans-68.8130.1175.2177.90000110.6N10 K12 R13 F20 H23C8-N10 VanDerWaalsContact C-N 3.31Å; C8-N10 PolarHBondContact O-N 3Å; C8-K12 WeakPolarHBondContact O-CA 3.42Å; C8-K12 PolarHBondContact O-N 2.76Å; C8-R13 PolarHBondContact N-O 3.05Å; C8-F20 HydrophobicContact CB-CE2 4.29Å; C8-H23 WeakPolarHBondContact CB-NE2 2.96Å; C8-H23 PolarHBondContact SG-NE2 3.06Å; C8-H23 VanDerWaalsContact SG-NE2 3.36Å
9R94.9Very high89.9Confident206 Ų20699.1 Ų99.178%0.77749%0.491SS*.THydrogen-bonded Turntrans-71.3-25.7-178.7-65-178.6-178.3-1731.7113.4V7 K12V7-R9 PolarHBondContact O-N 3.47Å; R9-K12 WeakPolarHBondContact O-CE 3.1Å; R9-K12 PolarHBondContact O-NZ 3.36Å
10N93.9Very high90.1Very high40 Ų4095.2 Ų95.221%0.21447%0.471CS..THydrogen-bonded Turntrans-80.2-69.5179-171.436.5000110.8C8 K12 C27 L28 I31C8-N10 VanDerWaalsContact C-N 3.31Å; C8-N10 PolarHBondContact O-N 3Å; N10-K12 PolarHBondContact O-N 3.43Å; N10-C27 PolarHBondContact ND2-O 3.48Å; N10-C27 PolarHBondContact ND2-SG 2.83Å; N10-C27 VanDerWaalsContact ND2-SG 3.36Å; N10-L28 HydrophobicContact CB-CD2 4.02Å; N10-I31 PolarHBondContact ND2-O 3.45Å
11C93.6Very high90.3Very high5 Ų597.6 Ų97.63%0.03448%0.483CS..THydrogen-bonded Turntrans-86.61.2-175.572.30000115.9R13 H23 C27 I31 P40C11-R13 PolarHBondContact O-N 3.31Å; C11-R13 PolarHBondContact SG-NE 2.92Å; C11-H23 VanDerWaalsContact SG-CE1 3.59Å; C11-H23 PolarHBondContact SG-NE2 2.95Å; C11-C27 WeakPolarHBondContact CB-SG 3.49Å; C11-I31 HydrophobicContact CB-CG2 4.36Å; C11-P40 HydrophobicContact CB-CB 3.48Å; C11-P40 VanDerWaalsContact CB-CB 3.48Å; C11-P40 HydrophobicContact CB-CG 4.02Å
12K93.8Very high92Very high143 Ų14392.5 Ų92.562%0.62246%0.459SS*.  trans59.814.3177.9-46.3-55.7-176.2-173.50115.9C8 R9 N10C8-K12 WeakPolarHBondContact O-CA 3.42Å; C8-K12 PolarHBondContact O-N 2.76Å; R9-K12 WeakPolarHBondContact O-CE 3.1Å; R9-K12 PolarHBondContact O-NZ 3.36Å; N10-K12 PolarHBondContact O-N 3.43Å
13R93.4Very high93.5Very high124 Ų12485.2 Ų85.247%0.46843%0.425SS..  trans-87.5148.6177.9-71.5-174.9-79.5-175.1-9.6112.5V7 C8 C11V7-R13 WeakPolarHBondContact CA-O 3.41Å; C8-R13 PolarHBondContact N-O 3.05Å; C11-R13 PolarHBondContact O-N 3.31Å; C11-R13 PolarHBondContact SG-NE 2.92Å
14N95.2Very high94.4Very high117 Ų11784.6 Ų84.663%0.62641%0.411SS*.EExtended strand (participates in β ladder)trans-73.5130.1167-71.1-64.3000109.7V7V7-N14 VanDerWaalsContact CG2-OD1 3.25Å; V7-N14 WeakPolarHBondContact CG2-OD1 3.34Å
15V93.7Very high94.5Very high17 Ų1782.2 Ų82.210%0.10341%0.406CS..EExtended strand (participates in β ladder)trans-132.6135.9-178.5-178.60000107.7F5 Q6 S17 H19 F20 H23F5-V15 CarbonylContact C-O 3.23Å; F5-V15 WeakPolarHBondContact CA-O 3.17Å; Q6-V15 PolarHBondContact N-O 3.42Å; Q6-V15 PolarHBondContact O-N 3.22Å; V15-S17 PolarHBondContact O-N 3.3Å; V15-H19 HydrophobicContact CG1-CB 4.49Å; V15-F20 HydrophobicContact CB-CD2 4.12Å; V15-H23 HydrophobicContact CG1-CB 3.72Å; V15-H23 HydrophobicContact CG2-CB 4.31Å
16A95.4Very high94.5Very high30 Ų3081.2 Ų81.225%0.24840%0.403CS..EExtended strand (participates in β ladder)trans-55.5132.8176.700000110.1D4 F5 L18 H19 F20D4-A16 CarbonylContact O-C 3.6Å; D4-A16 WeakPolarHBondContact O-CA 3.21Å; F5-A16 HydrophobicContact CD1-CB 4.37Å; F5-A16 HydrophobicContact CE1-CB 4.3Å; A16-L18 PolarHBondContact O-N 2.91Å; A16-L18 VanDerWaalsContact O-N 3.07Å; A16-H19 CarbonylContact O-C 3.59Å; A16-H19 PolarHBondContact O-N 3.36Å; A16-F20 PolarHBondContact O-N 3.35Å; A16-F20 VanDerWaalsContact O-N 3.12Å
17S94.9Very high94.4Very high30 Ų3077.4 Ų77.421%0.2139%0.386CS..G310 helixtrans-53.5-34.1-176.7-72.60000112.3D4 Q6 V15 H19 F20D4-S17 WeakPolarHBondContact O-CB 3.26Å; D4-S17 PolarHBondContact O-N 2.71Å; D4-S17 PolarHBondContact O-OG 3.47Å; D4-S17 WeakPolarHBondContact OD1-CB 3.49Å; D4-S17 PolarHBondContact OD1-OG 3.16Å; Q6-S17 WeakPolarHBondContact CG-OG 3.38Å; Q6-S17 PolarHBondContact NE2-OG 3.17Å; V15-S17 PolarHBondContact O-N 3.3Å; S17-H19 VanDerWaalsContact C-N 3.27Å; S17-H19 PolarHBondContact O-N 3.07Å; S17-F20 PolarHBondContact O-N 2.97Å
18L93.4Very high94.3Very high155 Ų15579 Ų7981%0.81239%0.39SS*.G310 helixtrans-60-33.8175.6-176.162.5000113.3A16A16-L18 PolarHBondContact O-N 2.91Å; A16-L18 VanDerWaalsContact O-N 3.07Å
19H91.1Very high94.3Very high114 Ų11487.7 Ų87.753%0.52842%0.423SS..G310 helixtrans-106.83.9-176.2-57.8158.4000113V15 A16 S17 M21 L22 H23V15-H19 HydrophobicContact CG1-CB 4.49Å; A16-H19 CarbonylContact O-C 3.59Å; A16-H19 PolarHBondContact O-N 3.36Å; S17-H19 VanDerWaalsContact C-N 3.27Å; S17-H19 PolarHBondContact O-N 3.07Å; H19-M21 PolarHBondContact O-N 3.33Å; H19-L22 PolarHBondContact O-N 2.84Å; H19-H23 WeakPolarHBondContact O-CB 3.4Å; H19-H23 PolarHBondContact O-N 3.02Å
20F94.7Very high94.2Very high21 Ų2182.5 Ų82.59%0.09241%0.406CS..Hα-helixtrans-61.1-46.4-171.2-172.7-98.3000112.8Q6 C8 V15 A16 S17 L22 H23 E24Q6-F20 HydrophobicContact CB-CD2 3.37Å; Q6-F20 HydrophobicContact CB-CE2 3.6Å; Q6-F20 HydrophobicContact CB-CG 3.91Å; Q6-F20 HydrophobicContact CB-CZ 4.3Å; Q6-F20 HydrophobicContact CG-CD2 4.49Å; C8-F20 HydrophobicContact CB-CE2 4.29Å; V15-F20 HydrophobicContact CB-CD2 4.12Å; A16-F20 PolarHBondContact O-N 3.35Å; A16-F20 VanDerWaalsContact O-N 3.12Å; S17-F20 PolarHBondContact O-N 2.97Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.29Å; F20-H23 PolarHBondContact O-N 3.49Å; F20-E24 HydrophobicContact CE1-CB 4.41Å; F20-E24 WeakPolarHBondContact O-CB 2.93Å; F20-E24 PolarHBondContact O-N 3.24Å
21M94.6Very high94.3Very high146 Ų14681.4 Ų81.472%0.71940%0.4SS*.Hα-helixtrans-59.7-43.3179.9-72-66.5-63.800112.7H19 E24 A25H19-M21 PolarHBondContact O-N 3.33Å; M21-E24 PolarHBondContact O-N 3.39Å; M21-A25 PolarHBondContact O-N 3.31Å; M21-A25 VanDerWaalsContact O-N 3.16Å
22L94.6Very high94.3Very high134 Ų13483.5 Ų83.570%0.70241%0.413SS*.Hα-helixtrans-66.6-44.9177.9178.263.5000110.7H19 F20 H26H19-L22 PolarHBondContact O-N 2.84Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.49Å; L22-H26 PolarHBondContact O-N 3.43Å; L22-H26 VanDerWaalsContact O-N 3.09Å
23H95.9Very high94.3Very high40 Ų4080 Ų8019%0.18540%0.401CS..Hα-helixtrans-60.2-45.9175.5173.995.2000111.6C8 C11 V15 H19 F20 A25 H26 C27C8-H23 WeakPolarHBondContact CB-NE2 2.96Å; C8-H23 PolarHBondContact SG-NE2 3.06Å; C8-H23 VanDerWaalsContact SG-NE2 3.36Å; C11-H23 VanDerWaalsContact SG-CE1 3.59Å; C11-H23 PolarHBondContact SG-NE2 2.95Å; V15-H23 HydrophobicContact CG1-CB 3.72Å; V15-H23 HydrophobicContact CG2-CB 4.31Å; H19-H23 WeakPolarHBondContact O-CB 3.4Å; H19-H23 PolarHBondContact O-N 3.02Å; F20-H23 PolarHBondContact O-N 3.49Å; H23-A25 PolarHBondContact O-N 2.86Å; H23-H26 PolarHBondContact O-N 3.42Å; H23-C27 WeakPolarHBondContact O-CA 3.35Å; H23-C27 WeakPolarHBondContact O-CB 3.45Å; H23-C27 PolarHBondContact O-N 3.24Å
24E95.1Very high94.4Very high57 Ų5774.2 Ų74.227%0.26638%0.379SS..Hα-helixtrans-61.5-46.9-176.9-175.9170.2-136.800111F20 M21 H26 C27 L28F20-E24 HydrophobicContact CE1-CB 4.41Å; F20-E24 WeakPolarHBondContact O-CB 2.93Å; F20-E24 PolarHBondContact O-N 3.24Å; M21-E24 PolarHBondContact O-N 3.39Å; E24-H26 PolarHBondContact O-N 3.47Å; E24-C27 PolarHBondContact O-N 3.05Å; E24-L28 HydrophobicContact CG-CD1 3.82Å; E24-L28 HydrophobicContact CG-CG 4.37Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 VanDerWaalsContact O-CG 3.29Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 3.16Å
25A94.9Very high94.2Very high63 Ų6373.8 Ų73.852%0.52138%0.383SS..Hα-helixtrans-60.2-44.617600000112.4M21 H23 R29M21-A25 PolarHBondContact O-N 3.31Å; M21-A25 VanDerWaalsContact O-N 3.16Å; H23-A25 PolarHBondContact O-N 2.86Å; A25-R29 WeakPolarHBondContact O-CB 3.47Å; A25-R29 PolarHBondContact O-N 2.75Å
26H94.2Very high94.2Very high101 Ų10179 Ų7947%0.46841%0.406SS..Hα-helixtrans-66.6-45.9177.1-179.8-78.3000111.6L22 H23 E24 R29 F30L22-H26 WeakPolarHBondContact O-CB 3.49Å; L22-H26 PolarHBondContact O-N 3.43Å; L22-H26 VanDerWaalsContact O-N 3.09Å; H23-H26 PolarHBondContact O-N 3.42Å; E24-H26 PolarHBondContact O-N 3.47Å; H26-R29 PolarHBondContact O-N 3.41Å; H26-F30 AromaticContact CD2-CD2 3.64Å; H26-F30 AromaticContact CG-CD2 3.98Å; H26-F30 AromaticContact NE2-CD2 3.77Å; H26-F30 WeakPolarHBondContact O-CD2 3.25Å; H26-F30 PolarHBondContact O-N 2.97Å
27C93.8Very high94Very high0 Ų080.2 Ų80.20%041%0.412CS..Hα-helixtrans-64.1-45.9-175.2-174.10000111N10 C11 H23 E24 R29 I31N10-C27 PolarHBondContact ND2-O 3.48Å; N10-C27 PolarHBondContact ND2-SG 2.83Å; N10-C27 VanDerWaalsContact ND2-SG 3.36Å; C11-C27 WeakPolarHBondContact CB-SG 3.49Å; H23-C27 WeakPolarHBondContact O-CA 3.35Å; H23-C27 WeakPolarHBondContact O-CB 3.45Å; H23-C27 PolarHBondContact O-N 3.24Å; E24-C27 PolarHBondContact O-N 3.05Å; C27-R29 VanDerWaalsContact C-N 3.25Å; C27-R29 PolarHBondContact O-N 2.94Å; C27-I31 WeakPolarHBondContact O-CA 3.33Å; C27-I31 VanDerWaalsContact O-CB 3.3Å; C27-I31 WeakPolarHBondContact O-CB 3.15Å; C27-I31 PolarHBondContact O-N 2.88Å
28L94Very high93.9Very high114 Ų11486 Ų8660%0.59744%0.436SS*.Hα-helixtrans-64.3-30.8178.1-72.6171000113.1N10 E24N10-L28 HydrophobicContact CB-CD2 4.02Å; E24-L28 HydrophobicContact CG-CD1 3.82Å; E24-L28 HydrophobicContact CG-CG 4.37Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 VanDerWaalsContact O-CG 3.29Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 3.16Å
29R94.8Very high93.8Very high185 Ų18583.2 Ų83.270%0.69842%0.419SS*.Hα-helixtrans-87.5-32.5-174.7-171.9169.3-177.7154.12.5113.7A25 H26 C27A25-R29 WeakPolarHBondContact O-CB 3.47Å; A25-R29 PolarHBondContact O-N 2.75Å; H26-R29 PolarHBondContact O-N 3.41Å; C27-R29 VanDerWaalsContact C-N 3.25Å; C27-R29 PolarHBondContact O-N 2.94Å
30F92.6Very high93.9Very high97 Ų9779.5 Ų79.543%0.42540%0.404SS..Hα-helixtrans-124.8-12.6-166.9-58.4-65.5000114.3H26 P42 E43H26-F30 AromaticContact CD2-CD2 3.64Å; H26-F30 AromaticContact CG-CD2 3.98Å; H26-F30 AromaticContact NE2-CD2 3.77Å; H26-F30 WeakPolarHBondContact O-CD2 3.25Å; H26-F30 PolarHBondContact O-N 2.97Å; F30-P42 CarbonylContact O-C 3.57Å; F30-P42 VanDerWaalsContact O-CA 3.26Å; F30-P42 WeakPolarHBondContact O-CA 3.4Å; F30-E43 PolarHBondContact O-N 3.38Å
31I95.4Very high93.9Very high16 Ų1679.1 Ų79.18%0.08240%0.404CS..EExtended strand (participates in β ladder)trans-112.1124.3-177-50.7-61.1000109.3N10 C11 C27 P40 I41 P42N10-I31 PolarHBondContact ND2-O 3.45Å; C11-I31 HydrophobicContact CB-CG2 4.36Å; C27-I31 WeakPolarHBondContact O-CA 3.33Å; C27-I31 VanDerWaalsContact O-CB 3.3Å; C27-I31 WeakPolarHBondContact O-CB 3.15Å; C27-I31 PolarHBondContact O-N 2.88Å; I31-P40 HydrophobicContact CG2-CB 3.61Å; I31-I41 WeakPolarHBondContact CA-O 3.46Å; I31-P42 HydrophobicContact CD1-CB 4.24Å; I31-P42 HydrophobicContact CD1-CG 3.95Å
32V94.3Very high93.9Very high50 Ų5074.5 Ų74.530%0.30338%0.384SS..EExtended strand (participates in β ladder)trans-116.8148.4175.6-67.80000109.2I41 E43 M46V32-I41 WeakPolarHBondContact CG2-O 3.25Å; V32-I41 PolarHBondContact N-O 3.03Å; V32-I41 PolarHBondContact O-N 2.81Å; V32-E43 HydrophobicContact CG1-CB 4.35Å; V32-E43 HydrophobicContact CG1-CG 4.48Å; V32-E43 HydrophobicContact CG2-CB 4.16Å; V32-M46 HydrophobicContact CG2-CE 3.55Å
33L94.6Very high93.8Very high69 Ų6974.1 Ų74.136%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-82.9135174.9-58.7-175.6000109.6E39 P40L33-E39 CarbonylContact C-O 3.53Å; L33-E39 WeakPolarHBondContact CA-O 3.49Å; L33-P40 HydrophobicContact CD2-CB 3.79Å
34C94Very high93.7Very high2 Ų277.5 Ų77.51%0.01441%0.407CS..  trans-60.7133.2171.9171.20000110.2E36 C37 E38 E39 I41 M46 H49 M50C34-E36 VanDerWaalsContact C-N 3.25Å; C34-E36 PolarHBondContact O-N 3.12Å; C34-E36 PolarHBondContact SG-N 3.39Å; C34-C37 VanDerWaalsContact CB-SG 3.55Å; C34-C37 PolarHBondContact SG-N 3.21Å; C34-C37 VanDerWaalsContact SG-N 3.42Å; C34-C37 PolarHBondContact SG-SG 3.29Å; C34-E38 WeakPolarHBondContact O-CA 3.29Å; C34-E38 PolarHBondContact O-N 2.84Å; C34-E39 PolarHBondContact N-O 2.87Å; C34-I41 HydrophobicContact CB-CG1 4.32Å; C34-M46 HydrophobicContact CB-CE 4.16Å; C34-M46 HydrophobicContact CB-SD 4.39Å; C34-H49 PolarHBondContact SG-NE2 3.27Å; C34-M50 HydrophobicContact CB-CE 4.49Å; C34-M50 WeakPolarHBondContact SG-CE 3.37Å
35P92.8Very high93.5Very high109 Ų10980.4 Ų80.471%0.70842%0.419SS*.THydrogen-bonded Turntrans-71.1-19178.929.3-35.6000113.8
36E92.1Very high93.5Very high125 Ų12578.9 Ų78.958%0.58440%0.401SS*.THydrogen-bonded Turntrans-95-42.4-177.6-67.5-164.1-153.200113.3C34 H54C34-E36 VanDerWaalsContact C-N 3.25Å; C34-E36 PolarHBondContact O-N 3.12Å; C34-E36 PolarHBondContact SG-N 3.39Å; E36-H54 WeakPolarHBondContact CB-CE1 3.3Å; E36-H54 WeakPolarHBondContact CB-ND1 3.03Å; E36-H54 WeakPolarHBondContact OE2-CB 3.49Å; E36-H54 IonicContact OE2-CE1 3.9Å; E36-H54 IonicContact OE2-CG 3.69Å; E36-H54 VanDerWaalsContact OE2-CG 3.27Å; E36-H54 IonicContact OE2-ND1 3.27Å; E36-H54 PolarHBondContact OE2-ND1 3.14Å
37C92.9Very high93.5Very high56 Ų5681.2 Ų81.238%0.37841%0.41SS..THydrogen-bonded Turntrans-117.10.3-177.363.30000114.5C34 E39 H49 H54C34-C37 VanDerWaalsContact CB-SG 3.55Å; C34-C37 PolarHBondContact SG-N 3.21Å; C34-C37 VanDerWaalsContact SG-N 3.42Å; C34-C37 PolarHBondContact SG-SG 3.29Å; C37-E39 PolarHBondContact O-N 3.19Å; C37-E39 VanDerWaalsContact SG-CB 3.54Å; C37-H49 PolarHBondContact SG-NE2 3.32Å; C37-H54 PolarHBondContact SG-NE2 2.97Å
38E91.9Very high93.5Very high152 Ų15286.8 Ų86.871%0.7144%0.436SS*.  trans58.613.9-177.8-57.5-177.8179.700114.4C34C34-E38 WeakPolarHBondContact O-CA 3.29Å; C34-E38 PolarHBondContact O-N 2.84Å
39E91.5Very high93.5Very high97 Ų9782.3 Ų82.345%0.45341%0.412SS..  trans-69.1137178.4-166.2-179.1175.200110.5L33 C34 C37 I41 H49L33-E39 CarbonylContact C-O 3.53Å; L33-E39 WeakPolarHBondContact CA-O 3.49Å; C34-E39 PolarHBondContact N-O 2.87Å; C37-E39 PolarHBondContact O-N 3.19Å; C37-E39 VanDerWaalsContact SG-CB 3.54Å; E39-I41 HydrophobicContact CB-CD1 3.92Å; E39-I41 HydrophobicContact CB-CG1 4.38Å; E39-I41 HydrophobicContact CG-CD1 3.67Å; E39-I41 WeakPolarHBondContact O-CG1 3.49Å; E39-I41 PolarHBondContact O-N 3.44Å; E39-H49 IonicContact OE2-CE1 2.71Å
40P92.9Very high93.4Very high35 Ų3575.6 Ų75.623%0.22739%0.389CS..EExtended strand (participates in β ladder)trans-75.6103.6175.928.7-33.9000111.9C11 I31 L33C11-P40 HydrophobicContact CB-CB 3.48Å; C11-P40 VanDerWaalsContact CB-CB 3.48Å; C11-P40 HydrophobicContact CB-CG 4.02Å; I31-P40 HydrophobicContact CG2-CB 3.61Å; L33-P40 HydrophobicContact CD2-CB 3.79Å
41I94.9Very high93.5Very high14 Ų1475.5 Ų75.57%0.07239%0.39CS..EExtended strand (participates in β ladder)trans-110.8139.7-176.1-50.6-55.8000110.4I31 V32 C34 E39 E43 K45 M46 H49I31-I41 WeakPolarHBondContact CA-O 3.46Å; V32-I41 WeakPolarHBondContact CG2-O 3.25Å; V32-I41 PolarHBondContact N-O 3.03Å; V32-I41 PolarHBondContact O-N 2.81Å; C34-I41 HydrophobicContact CB-CG1 4.32Å; E39-I41 HydrophobicContact CB-CD1 3.92Å; E39-I41 HydrophobicContact CB-CG1 4.38Å; E39-I41 HydrophobicContact CG-CD1 3.67Å; E39-I41 WeakPolarHBondContact O-CG1 3.49Å; E39-I41 PolarHBondContact O-N 3.44Å; I41-E43 PolarHBondContact O-N 3.48Å; I41-K45 HydrophobicContact CG2-CB 4.23Å; I41-M46 HydrophobicContact CB-CE 3.74Å; I41-M46 HydrophobicContact CG1-CE 4.05Å; I41-M46 HydrophobicContact CG2-CE 4.34Å; I41-H49 HydrophobicContact CG2-CB 4.13Å
42P94.6Very high93.3Very high49 Ų4980.1 Ų80.132%0.31842%0.419SS..EExtended strand (participates in β ladder)trans-57.3132.6167-22.833.6000111.1F30 I31 S44 K45 M46F30-P42 CarbonylContact O-C 3.57Å; F30-P42 VanDerWaalsContact O-CA 3.26Å; F30-P42 WeakPolarHBondContact O-CA 3.4Å; I31-P42 HydrophobicContact CD1-CB 4.24Å; I31-P42 HydrophobicContact CD1-CG 3.95Å; P42-S44 PolarHBondContact O-N 3.36Å; P42-S44 VanDerWaalsContact O-N 3.12Å; P42-K45 HydrophobicContact CB-CG 4.46Å; P42-K45 WeakPolarHBondContact O-CA 3.49Å; P42-K45 PolarHBondContact O-N 3.35Å; P42-M46 PolarHBondContact O-N 3.26Å
43E92.7Very high93Very high126 Ų12681.9 Ų81.959%0.58943%0.43SS*.G310 helixtrans-53.8-40.1-175.7-173.3-179.8-173.700112.4F30 V32 I41 K45 M46F30-E43 PolarHBondContact O-N 3.38Å; V32-E43 HydrophobicContact CG1-CB 4.35Å; V32-E43 HydrophobicContact CG1-CG 4.48Å; V32-E43 HydrophobicContact CG2-CB 4.16Å; I41-E43 PolarHBondContact O-N 3.48Å; E43-K45 PolarHBondContact O-N 2.91Å; E43-K45 VanDerWaalsContact O-N 3.14Å; E43-M46 PolarHBondContact O-N 2.96Å
44S92.9Very high92.9Very high111 Ų11180.4 Ų80.478%0.77642%0.421SS*.G310 helixtrans-61.2-21.7177.157.10000114.6P42P42-S44 PolarHBondContact O-N 3.36Å; P42-S44 VanDerWaalsContact O-N 3.12Å
45K92.7Very high92.3Very high117 Ų11786.1 Ų86.151%0.50945%0.447SS..G310 helixtrans-107-0.5-178.3-61.9-168177.4-171.80113.6I41 P42 E43 K47 E48 H49I41-K45 HydrophobicContact CG2-CB 4.23Å; P42-K45 HydrophobicContact CB-CG 4.46Å; P42-K45 WeakPolarHBondContact O-CA 3.49Å; P42-K45 PolarHBondContact O-N 3.35Å; E43-K45 PolarHBondContact O-N 2.91Å; E43-K45 VanDerWaalsContact O-N 3.14Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.98Å; K45-E48 PolarHBondContact O-N 3.5Å; K45-H49 WeakPolarHBondContact O-CB 3.38Å; K45-H49 PolarHBondContact O-N 3.03Å
46M94.8Very high91.1Very high32 Ų3289.2 Ų89.216%0.15845%0.452CS..Hα-helixtrans-59.1-41.9-176.8-17955.271.200112.1V32 C34 I41 P42 E43 H49 M50V32-M46 HydrophobicContact CG2-CE 3.55Å; C34-M46 HydrophobicContact CB-CE 4.16Å; C34-M46 HydrophobicContact CB-SD 4.39Å; I41-M46 HydrophobicContact CB-CE 3.74Å; I41-M46 HydrophobicContact CG1-CE 4.05Å; I41-M46 HydrophobicContact CG2-CE 4.34Å; P42-M46 PolarHBondContact O-N 3.26Å; E43-M46 PolarHBondContact O-N 2.96Å; M46-H49 PolarHBondContact O-N 3.36Å; M46-M50 HydrophobicContact CG-CG 4.5Å; M46-M50 VanDerWaalsContact O-CG 3.26Å; M46-M50 WeakPolarHBondContact O-CG 3.47Å; M46-M50 PolarHBondContact O-N 3.23Å; M46-M50 HydrophobicContact SD-CE 4.16Å; M46-M50 HydrophobicContact SD-CG 4.25Å
47K92.5Very high89.3Confident150 Ų15092 Ų9265%0.65246%0.463SS*.Hα-helixtrans-61.1-48.4179-177.8-179.3171.1-174.70112.3K45 H49 M50 E51K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.98Å; K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-N 2.9Å; K47-M50 WeakPolarHBondContact O-CB 3.35Å; K47-M50 PolarHBondContact O-N 3.39Å; K47-E51 WeakPolarHBondContact CE-OE1 3.2Å; K47-E51 IonicContact NZ-OE1 3.57Å; K47-E51 WeakPolarHBondContact O-CG 3.26Å; K47-E51 PolarHBondContact O-N 3.27Å
48E95.3Very high87.1Confident117 Ų11798.1 Ų98.155%0.54749%0.486SS..Hα-helixtrans-61.1-43.7177.2-178.4-173.2170.800111K45 M50 E51 V52K45-E48 PolarHBondContact O-N 3.5Å; E48-M50 VanDerWaalsContact C-N 3.32Å; E48-M50 PolarHBondContact O-N 2.78Å; E48-E51 PolarHBondContact O-N 3.49Å; E48-E51 VanDerWaalsContact O-N 3.16Å; E48-V52 HydrophobicContact CG-CG2 4.26Å; E48-V52 WeakPolarHBondContact O-CB 3.45Å; E48-V52 WeakPolarHBondContact O-CG2 3.39Å; E48-V52 PolarHBondContact O-N 3.16Å
49H94.2Very high84.6Confident19 Ų1995.9 Ų95.99%0.08849%0.486CS..Hα-helixtrans-58.2-43.4175.8167.683.1000112C34 C37 E39 I41 K45 M46 K47 E51 V52 V53 H54C34-H49 PolarHBondContact SG-NE2 3.27Å; C37-H49 PolarHBondContact SG-NE2 3.32Å; E39-H49 IonicContact OE2-CE1 2.71Å; I41-H49 HydrophobicContact CG2-CB 4.13Å; K45-H49 WeakPolarHBondContact O-CB 3.38Å; K45-H49 PolarHBondContact O-N 3.03Å; M46-H49 PolarHBondContact O-N 3.36Å; K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-N 2.9Å; H49-E51 PolarHBondContact O-N 2.88Å; H49-V52 PolarHBondContact O-N 2.96Å; H49-V53 VanDerWaalsContact O-CB 3.25Å; H49-V53 WeakPolarHBondContact O-CB 3.22Å; H49-V53 WeakPolarHBondContact O-CG2 3.49Å; H49-V53 PolarHBondContact O-N 3.34Å; H49-H54 AromaticContact CD2-CD2 3.94Å; H49-H54 AromaticContact CE1-CD2 3.98Å; H49-H54 AromaticContact CE1-NE2 3.78Å; H49-H54 AromaticContact NE2-CD2 3.42Å; H49-H54 PolarHBondContact NE2-CD2 3.36Å; H49-H54 AromaticContact NE2-NE2 3.33Å; H49-H54 PolarHBondContact NE2-NE2 3.01Å
50M92.6Very high82.3Confident45 Ų4597.3 Ų97.322%0.22251%0.506CS..Hα-helixtrans-61.2-43.1174.9-66-75.793.900112.4C34 M46 K47 E48 H54 Q55C34-M50 HydrophobicContact CB-CE 4.49Å; C34-M50 WeakPolarHBondContact SG-CE 3.37Å; M46-M50 HydrophobicContact CG-CG 4.5Å; M46-M50 VanDerWaalsContact O-CG 3.26Å; M46-M50 WeakPolarHBondContact O-CG 3.47Å; M46-M50 PolarHBondContact O-N 3.23Å; M46-M50 HydrophobicContact SD-CE 4.16Å; M46-M50 HydrophobicContact SD-CG 4.25Å; K47-M50 WeakPolarHBondContact O-CB 3.35Å; K47-M50 PolarHBondContact O-N 3.39Å; E48-M50 VanDerWaalsContact C-N 3.32Å; E48-M50 PolarHBondContact O-N 2.78Å; M50-H54 HydrophobicContact CE-CB 4.1Å; M50-H54 WeakPolarHBondContact CE-CD2 3.39Å; M50-H54 CarbonylContact O-C 3.59Å; M50-H54 VanDerWaalsContact O-C 3.23Å; M50-H54 WeakPolarHBondContact O-CA 3.44Å; M50-H54 WeakPolarHBondContact O-CB 3.48Å; M50-H54 PolarHBondContact O-N 3.45Å; M50-H54 HydrophobicContact SD-CB 4.47Å; M50-Q55 PolarHBondContact O-N 3.47Å
51E92.9Very high80Confident94 Ų9499.1 Ų99.144%0.43952%0.524SS..Hα-helixtrans-72-29.9-179.2-68.7174177.100113.3K47 E48 H49 Q55K47-E51 WeakPolarHBondContact CE-OE1 3.2Å; K47-E51 IonicContact NZ-OE1 3.57Å; K47-E51 WeakPolarHBondContact O-CG 3.26Å; K47-E51 PolarHBondContact O-N 3.27Å; E48-E51 PolarHBondContact O-N 3.49Å; E48-E51 VanDerWaalsContact O-N 3.16Å; H49-E51 PolarHBondContact O-N 2.88Å; E51-Q55 WeakPolarHBondContact O-CB 3.48Å; E51-Q55 PolarHBondContact O-OE1 2.71Å
52V91.6Very high77.6Confident114 Ų114104.1 Ų104.169%0.69156%0.558SS**Hα-helixtrans-92.2-43.1-177.4174.60000111.9E48 H49E48-V52 HydrophobicContact CG-CG2 4.26Å; E48-V52 WeakPolarHBondContact O-CB 3.45Å; E48-V52 WeakPolarHBondContact O-CG2 3.39Å; E48-V52 PolarHBondContact O-N 3.16Å; H49-V52 PolarHBondContact O-N 2.96Å
53V89.6Confident75.4Confident87 Ų87109.2 Ų109.253%0.52758%0.582SS.*Hα-helixtrans-94.7-36.5-171.6-175.30000111.5H49H49-V53 VanDerWaalsContact O-CB 3.25Å; H49-V53 WeakPolarHBondContact O-CB 3.22Å; H49-V53 WeakPolarHBondContact O-CG2 3.49Å; H49-V53 PolarHBondContact O-N 3.34Å
54H90.8Very high72.7Confident37 Ų37109.6 Ų109.617%0.17159%0.593CS.*SBendtrans-115.23.4-168.5-67-76.9000114.5E36 C37 H49 M50 Q56E36-H54 WeakPolarHBondContact CB-CE1 3.3Å; E36-H54 WeakPolarHBondContact CB-ND1 3.03Å; E36-H54 WeakPolarHBondContact OE2-CB 3.49Å; E36-H54 IonicContact OE2-CE1 3.9Å; E36-H54 IonicContact OE2-CG 3.69Å; E36-H54 VanDerWaalsContact OE2-CG 3.27Å; E36-H54 IonicContact OE2-ND1 3.27Å; E36-H54 PolarHBondContact OE2-ND1 3.14Å; C37-H54 PolarHBondContact SG-NE2 2.97Å; H49-H54 AromaticContact CD2-CD2 3.94Å; H49-H54 AromaticContact CE1-CD2 3.98Å; H49-H54 AromaticContact CE1-NE2 3.78Å; H49-H54 AromaticContact NE2-CD2 3.42Å; H49-H54 PolarHBondContact NE2-CD2 3.36Å; H49-H54 AromaticContact NE2-NE2 3.33Å; H49-H54 PolarHBondContact NE2-NE2 3.01Å; M50-H54 HydrophobicContact CE-CB 4.1Å; M50-H54 WeakPolarHBondContact CE-CD2 3.39Å; M50-H54 CarbonylContact O-C 3.59Å; M50-H54 VanDerWaalsContact O-C 3.23Å; M50-H54 WeakPolarHBondContact O-CA 3.44Å; M50-H54 WeakPolarHBondContact O-CB 3.48Å; M50-H54 PolarHBondContact O-N 3.45Å; M50-H54 HydrophobicContact SD-CB 4.47Å; H54-Q56 VanDerWaalsContact C-N 3.32Å; H54-Q56 PolarHBondContact O-N 3.29Å
55Q83.2Confident70.6Confident122 Ų122110.4 Ų110.457%0.5759%0.593SS**  trans-69.389.6-179.3-169.7100.272.600111.2M50 E51 K57M50-Q55 PolarHBondContact O-N 3.47Å; E51-Q55 WeakPolarHBondContact O-CB 3.48Å; E51-Q55 PolarHBondContact O-OE1 2.71Å; Q55-K57 PolarHBondContact O-N 2.57Å
56Q66.4Low68Low175 Ų175110.7 Ų110.782%0.81861%0.605SS**  trans-69.9122.5157.8-80.1-177.8-7.600108.3H54 Q58H54-Q56 VanDerWaalsContact C-N 3.32Å; H54-Q56 PolarHBondContact O-N 3.29Å; Q56-Q58 PolarHBondContact O-N 3.09Å
57K53.7Low65.9Low184 Ų184120.5 Ų120.580%0.864%0.64SS**  trans-53107.2177-63.8-178-180-179.80109.2Q55 C59Q55-K57 PolarHBondContact O-N 2.57Å; K57-C59 PolarHBondContact O-N 2.8Å
58Q46.9Very low63.6Low184 Ų184120.2 Ų120.286%0.8664%0.644SS**  trans-66.981.1161.6-74.3-89.42.600107.2Q56 S60Q56-Q58 PolarHBondContact O-N 3.09Å; Q58-S60 VanDerWaalsContact C-N 3.27Å; Q58-S60 PolarHBondContact O-N 2.81Å
59C39.5Very low61.7Low105 Ų105126.1 Ų126.171%0.70966%0.661SS**  trans-71.890165.2-65.80000107.2K57 A61K57-C59 PolarHBondContact O-N 2.8Å; C59-A61 VanDerWaalsContact C-N 3.3Å; C59-A61 PolarHBondContact O-N 3.31Å
60S43.2Very low59Low126 Ų126132 Ų13288%0.88169%0.694SS**  trans-74.191.3162.4-167.10000107.9Q58Q58-S60 VanDerWaalsContact C-N 3.27Å; Q58-S60 PolarHBondContact O-N 2.81Å
61A44.7Very low57.2Low73 Ų73138.6 Ų138.660%0.60372%0.724SS**  trans-132.6135.4161.100000107.9C59 N63C59-A61 VanDerWaalsContact C-N 3.3Å; C59-A61 PolarHBondContact O-N 3.31Å; A61-N63 PolarHBondContact O-N 3.34Å; A61-N63 VanDerWaalsContact O-N 3.16Å
62P45.8Very low54.7Low120 Ų120138.7 Ų138.778%0.77974%0.735SS**  trans-72.1114.3-178.629.3-30.9000109.7
63N48.1Very low52.4Low155 Ų155140.2 Ų140.283%0.82974%0.738SS**  trans36.288.5150.4-54.1-11.8000117.7A61A61-N63 PolarHBondContact O-N 3.34Å; A61-N63 VanDerWaalsContact O-N 3.16Å
64T35.3Very low49.9Very low135 Ų135142.5 Ų142.583%0.82875%0.745SS**  trans-131.5112.6141-12.20000108.5T66T64-T66 PolarHBondContact O-N 3.33Å
65V49.9Very low47.6Very low128 Ų128146.3 Ų146.378%0.77677%0.771SS**  trans-65.2114177.7175.60000109R67V65-R67 HydrophobicContact CG1-CG 4.31Å
66T37.8Very low45.6Very low123 Ų123147.4 Ų147.476%0.75578%0.779SS**  trans-126.8100.6151.419.50000108.1T64 I68T64-T66 PolarHBondContact O-N 3.33Å; T66-I68 PolarHBondContact O-N 3.38Å; T66-I68 VanDerWaalsContact O-N 3.17Å
67R51Low45Very low237 Ų237143.9 Ų143.989%0.89477%0.772SS**  trans-62.2109.3162.9-72.6-88.1176.7177.9-4.1107.2V65V65-R67 HydrophobicContact CG1-CG 4.31Å
68I42.2Very low44.2Very low145 Ų145140.5 Ų140.574%0.74477%0.771SS**  trans-125.7108.3157.3-56.6-175.4000106.4T66 D70T66-I68 PolarHBondContact O-N 3.38Å; T66-I68 VanDerWaalsContact O-N 3.17Å; I68-D70 PolarHBondContact O-N 3.43Å
69R56.7Low44Very low240 Ų240137.6 Ų137.691%0.90677%0.766SS**  trans-60.9123.6159.5-76.6174.1165.6177.6-5.5106.3
70D37.3Very low44.4Very low144 Ų144141 Ų14177%0.7778%0.776SS**  trans-157117.5140.3-124.2-49000110I68 S72I68-D70 PolarHBondContact O-N 3.43Å; D70-S72 PolarHBondContact O-N 3.12Å
71E55.1Low44.1Very low183 Ų183139 Ų13986%0.85577%0.768SS**  trans-59.9119.1167.8-75.4175.689.700108.5
72S39.7Very low43.6Very low95 Ų95145.1 Ų145.166%0.66478%0.781SS**  trans-14079.8160.142.70000109.1D70 I74D70-S72 PolarHBondContact O-N 3.12Å; S72-I74 VanDerWaalsContact C-N 3.32Å; S72-I74 PolarHBondContact O-N 3.33Å
73I42.9Very low43.8Very low146 Ų146148.8 Ų148.875%0.74979%0.79SS**  trans-62.1100154.9-68.3172.1000106.2V75I73-V75 HydrophobicContact CG2-CG2 3.61Å; I73-V75 PolarHBondContact O-N 2.98Å
74I37.5Very low43.5Very low135 Ų135148.1 Ų148.169%0.69279%0.787SS**  trans-89.386.5164-60.3179.4000106S72 I76S72-I74 VanDerWaalsContact C-N 3.32Å; S72-I74 PolarHBondContact O-N 3.33Å; I74-I76 HydrophobicContact CG2-CD1 3.69Å; I74-I76 HydrophobicContact CG2-CG1 3.67Å
75V43.7Very low43.4Very low117 Ų117147.7 Ų147.771%0.70979%0.789SS**  trans-74.1117.71561700000106I73I73-V75 HydrophobicContact CG2-CG2 3.61Å; I73-V75 PolarHBondContact O-N 2.98Å
76I39.4Very low42.9Very low145 Ų145144.1 Ų144.174%0.74478%0.778SS**  trans-118.6137.4160.4-69.3176.8000108.2I74I74-I76 HydrophobicContact CG2-CD1 3.69Å; I74-I76 HydrophobicContact CG2-CG1 3.67Å
77P55.4Low43.5Very low101 Ų101145.4 Ų145.466%0.65678%0.78SS**  trans-102.1155.5-146.136-26.5000112.1
78S36.6Very low42.8Very low113 Ų113145.6 Ų145.679%0.7978%0.781SS**  trans-135.4101.8161.1-73.80000110.6
79T41.4Very low42.2Very low124 Ų124149.3 Ų149.376%0.76179%0.786SS**  trans68.5101.2138.557.20000119.4
80L48.8Very low41.3Very low175 Ų175142.4 Ų142.492%0.91677%0.774SS**  51.987.9126.5-79.6168.2000117.7
81A36Very low41Very low85 Ų85141.5 Ų141.570%0.70277%0.774SS**  -152.3127.8123.300000107.4
82F35.7Very low40Very low201 Ų201139.7 Ų139.788%0.88278%0.775SS**  trans168.184145.9-94.5-70.3000107.8D84F82-D84 VanDerWaalsContact C-N 3.34Å; F82-D84 PolarHBondContact O-N 3.07Å
83M49.3Very low40.1Very low198 Ų198140 Ų14098%0.97578%0.777SS**  trans-85.491.4148.9-58.6-153.684.900106.5
84D40.9Very low39.9Very low141 Ų141142 Ų14275%0.75478%0.78SS**  trans-144.9110.5144.2-16854.2000107.5F82F82-D84 VanDerWaalsContact C-N 3.34Å; F82-D84 PolarHBondContact O-N 3.07Å
85S34.2Very low39.8Very low125 Ų125142.1 Ų142.187%0.87478%0.783SS**  trans-122.394.2172.4-1260000107.7
86G40.3Very low39.3Very low53 Ų53141.5 Ų141.555%0.54678%0.779SS.*  trans-69.2126.4162.300000111.3
87N48.6Very low39.8Very low150 Ų150144.8 Ų144.880%0.80278%0.782SS**  trans76.1128.4147.795.679.7000120.5
88R37.1Very low39.3Very low241 Ų241146.1 Ų146.191%0.90979%0.791SS**  -146.2128.9126.8-118.2-177.1-174.8-850.1112
89R28.8Very low39.3Very low224 Ų224150 Ų15085%0.84579%0.793SS**  trans-73.3137.4173.3175.7168.5-165.5149.65.2110.8
90S37.8Very low39.4Very low95 Ų95150.5 Ų150.566%0.66480%0.797SS**  179.4145.2112.6-116.10000116.5
91T32.9Very low38.8Very low125 Ų125151.4 Ų151.477%0.76779%0.793SS**  trans81.9126.8147.657.60000122.5
92V32.3Very low38.8Very low145 Ų145153.8 Ų153.888%0.87979%0.794SS**  trans99.2120.8156.2169.60000118.5
93S42.4Very low39Very low101 Ų101154.6 Ų154.671%0.70679%0.791SS**  trans-71.9154.2-172-43.20000115.2
94K37.8Very low38.6Very low187 Ų187151.5 Ų151.581%0.81378%0.779SS**  -179.5120.2117.4-94.2153.5-1731670111.9
95D35.8Very low38.5Very low139 Ų139149.8 Ų149.874%0.74378%0.778SS**  trans61.5120.9131.2-75.4-80.3000123
96V32.8Very low38.7Very low104 Ų104149 Ų14963%0.6377%0.772SS**  100.4106.6127.9175.30000119
97R50.2Low38.2Very low213 Ų213152.8 Ų152.880%0.80479%0.785SS**  trans87.9126.9144.5-75.8165.7-170.6-178.40.8120.6
98P46.5Very low37.5Very low129 Ų129154.9 Ų154.984%0.83879%0.787SS**  trans-86.1129.3149.632.1-24.1000109.6
99K35.2Very low37.4Very low195 Ų195153.4 Ų153.485%0.84878%0.781SS**  trans-121.5114.1169.1-134.1-178.2-174.4-178.40110.4
100T43Very low37.5Very low135 Ų135149.7 Ų149.783%0.82877%0.773SS**  trans-57.2173.4163.49.50000113.2
101K36.3Very low37.1Very low194 Ų194150.3 Ų150.384%0.84377%0.773SS**  trans101.2124.8163.9-150176.9-176.7179.80111.4
102N37.4Very low37.1Very low134 Ų134152.6 Ų152.672%0.71777%0.772SS**  -166.4152.852.1-171.614.2000112.5
103R39.6Very low36.9Very low218 Ų218152.1 Ų152.182%0.82376%0.759SS**  trans-93144.1176.7144.5-168.2162.1-161.4-3.3110.5
104N41.4Very low36.8Very low134 Ų134153.6 Ų153.672%0.71775%0.754SS**  trans158.7126.7137.959.521.5000107.4
105S37.5Very low36.3Very low105 Ų105151 Ų15173%0.73475%0.75SS**  cis94.5104.442.473.50000114.2
106S39Very low36Very low109 Ų109147.9 Ų147.976%0.76275%0.75SS**  83.5143.6128.9-134.30000122.5
107T29.4Very low35.7Very low131 Ų131149 Ų14980%0.80476%0.758SS**  trans94.2125.5149.763.10000122.4
108K34.1Very low35Very low194 Ų194145.4 Ų145.484%0.84376%0.759SS**  124.494.8127-153.9174-176.9-176.40112.6
109R35.3Very low34.1Very low210 Ų210143.2 Ų143.279%0.79275%0.752SS**  70.7124.388.7-91-167-178.1-159.84.9115.3
110E29.9Very low34.2Very low147 Ų147142.1 Ų142.169%0.68775%0.754SS**  trans73.8144.9142.5-63.3-172.610300116
111T29.5Very low34Very low108 Ų108141.7 Ų141.766%0.66375%0.754SS**  cis-174.3158.118.6-6.10000108.3
112K33.7Very low33.9Very low172 Ų172139.8 Ų139.875%0.74875%0.752SS**  trans69.8131.6130.9-159.6169.8-175.2-177.20116.3
113K28.4Very low33.9Very low135 Ų135142.3 Ų142.359%0.58776%0.756SS**  cis175.1154.915.1-126-179.5169.3-147.90106
114Q39Very low33.6Very low132 Ų132137.9 Ų137.962%0.61776%0.759SS**  trans68.2149133.1-75.6175.9-1.900120.5
115N27.6Very low33Very low134 Ų134135.1 Ų135.172%0.71776%0.762SS**  cis175.2147.4-19.647.1-4.8000108.1
116G29.6Very low33.4Very low73 Ų73137.6 Ų137.675%0.75377%0.766SS**  trans69168.515900000118.6
117T27.8Very low33.3Very low128 Ų128141.5 Ų141.579%0.78577%0.772SS**  cis-176.4136.1-19.7-85.60000105
118V34.1Very low33.8Very low136 Ų136143.8 Ų143.882%0.82477%0.774SS**  trans65.8123155.9176.40000120.6
119A28.1Very low33.7Very low84 Ų84146.6 Ų146.669%0.69478%0.779SS**  138.8119.7125.200000113.1
120L36.9Very low34.2Very low172 Ų172140.6 Ų140.690%0.90178%0.775SS**  trans-65.3145.2151.8-67.1169.3000108.7
121P38.6Very low34.9Very low126 Ų126141.3 Ų141.382%0.81878%0.783SS**  -137.9161.8112.114.87.4000114.8
122L35.3Very low35.5Very low154 Ų154143.9 Ų143.981%0.80679%0.792SS**  trans-65.2147.4-170.9-83144.9000117.4
123K37.2Very low36.1Very low186 Ų186141.3 Ų141.381%0.80979%0.793SS**  trans77.6124.6139.7-74.8-179179.9-170.40121.4
124S34.2Very low37Very low126 Ų126141.2 Ų141.288%0.88180%0.804SS**  126.5128.5118.472.30000114.4
125G28.9Very low37.5Very low75 Ų75137.4 Ų137.477%0.77380%0.8SS**  trans168.568.317800000112.4Q127G125-Q127 PolarHBondContact O-N 3.36Å
126L46.1Very low39Very low157 Ų157136 Ų13682%0.82279%0.793SS**  trans-64.4107.5157.9-102.4169.2000107.5Q128L126-Q128 HydrophobicContact CD2-CG 4.48Å
127Q35.3Very low40.2Very low191 Ų191140.7 Ų140.789%0.89379%0.794SS**  trans-138.297.4151-70.3-165.814.300108.1G125G125-Q127 PolarHBondContact O-N 3.36Å
128Q41.3Very low41.6Very low180 Ų180139.2 Ų139.284%0.84179%0.785SS**  trans-67.1132.9162.2-70175.7-21.200108.4L126L126-Q128 HydrophobicContact CD2-CG 4.48Å
129R30.2Very low42.6Very low253 Ų253133.5 Ų133.596%0.95575%0.753SS**  trans-128.7125.6152.5-129178.8-171.2-174.71.9107.4
130A46.1Very low43.8Very low84 Ų84136.6 Ų136.669%0.69475%0.747SS**  trans-66.2149.4-165.300000113.8
131D45.2Very low44.9Very low161 Ų161134.6 Ų134.686%0.86174%0.738SS**  -172146.6119.5-91.3-47.7000111.2
132L42.1Very low46.2Very low163 Ų163132 Ų13285%0.85372%0.72SS**SBendtrans88.6142.9167.7-12151.4000118.9T134L132-T134 PolarHBondContact O-N 2.81Å
133P46.1Very low47.7Very low117 Ų117129.3 Ų129.376%0.7671%0.706SS**  trans-70.8127.9-161.429.1-24.9000110.2G135P133-G135 VanDerWaalsContact C-N 3.32Å; P133-G135 PolarHBondContact O-N 2.84Å
134T47.2Very low49.2Very low134 Ų134125.3 Ų125.382%0.82269%0.69SS**  trans-61.189.6173.4-48.70000109.8L132L132-T134 PolarHBondContact O-N 2.81Å
135G50.8Low50.5Low52 Ų52122.8 Ų122.854%0.53667%0.667SS.*  trans-72.2122.8137.600000106.1P133 E137P133-G135 VanDerWaalsContact C-N 3.32Å; P133-G135 PolarHBondContact O-N 2.84Å; G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 2.91Å
136D57.7Low52.6Low105 Ų105119.3 Ų119.356%0.56163%0.63SS**  trans-56.479.2-179.644.1-48.3000112.4T138 A139D136-T138 PolarHBondContact O-N 2.98Å; D136-A139 VanDerWaalsContact O-CB 3.28Å; D136-A139 WeakPolarHBondContact O-CB 3.42Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 WeakPolarHBondContact OD2-CB 3.01Å
137E54.7Low53.2Low170 Ų170115.8 Ų115.879%0.79462%0.618SS**G310 helixtrans-53.6-24.8176.8-75.8-166.4111.700112.8G135 A139G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 2.91Å; E137-A139 VanDerWaalsContact C-N 3.25Å; E137-A139 PolarHBondContact O-N 3.09Å
138T57.9Low54.6Low97 Ų97112.5 Ų112.560%0.59560%0.602SS**G310 helixtrans-72.3-13.3177.156.70000114.4D136 Y140 D141 T142D136-T138 PolarHBondContact O-N 2.98Å; T138-Y140 VanDerWaalsContact C-N 3.28Å; T138-Y140 PolarHBondContact O-N 3.31Å; T138-D141 PolarHBondContact O-N 2.71Å; T138-T142 PolarHBondContact O-N 2.88Å; T138-T142 PolarHBondContact O-OG1 3.44Å
139A54.2Low55.7Low17 Ų17106.3 Ų106.314%0.1458%0.579CS.*G310 helixtrans-69.5-27.3179.400000112.4D136 E137 P156D136-A139 VanDerWaalsContact O-CB 3.28Å; D136-A139 WeakPolarHBondContact O-CB 3.42Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 WeakPolarHBondContact OD2-CB 3.01Å; E137-A139 VanDerWaalsContact C-N 3.25Å; E137-A139 PolarHBondContact O-N 3.09Å; A139-P156 WeakPolarHBondContact O-CD 3.48Å
140Y54.6Low57.1Low148 Ų148103 Ų10358%0.5857%0.566SS**THydrogen-bonded Turntrans-82.6-20.3174.4-65.7-81.5000113T138 P154 P156T138-Y140 VanDerWaalsContact C-N 3.28Å; T138-Y140 PolarHBondContact O-N 3.31Å; Y140-P154 HydrophobicContact CD1-CB 4.41Å; Y140-P156 HydrophobicContact CD1-CG 3.92Å; Y140-P156 HydrophobicContact CE1-CB 4.5Å; Y140-P156 HydrophobicContact CE1-CG 3.64Å
141D59.8Low58.2Low130 Ų130103.2 Ų103.270%0.69556%0.555SS**THydrogen-bonded Turntrans-85.8-17.3178-67.6-44.9000113.5T138 L143T138-D141 PolarHBondContact O-N 2.71Å; D141-L143 PolarHBondContact O-N 3.41Å
142T65.6Low59.2Low72 Ų72100.3 Ų100.344%0.44254%0.539SS..  trans-91.396.8177.8-53.20000110.2T138 L155T138-T142 PolarHBondContact O-N 2.88Å; T138-T142 PolarHBondContact O-OG1 3.44Å; T142-L155 HydrophobicContact CG2-CD1 3.88Å; T142-L155 PolarHBondContact O-N 3.47Å
143L66.3Low60.8Low97 Ų9794.3 Ų94.351%0.50851%0.507SS..EExtended strand (participates in β ladder)trans-82.6125.7175.2-58.1-179.4000110.7D141 L152 L153 P154D141-L143 PolarHBondContact O-N 3.41Å; L143-L152 HydrophobicContact CB-CD2 4.27Å; L143-L153 WeakPolarHBondContact CA-O 3.45Å; L143-P154 HydrophobicContact CD2-CB 4.21Å; L143-P154 VanDerWaalsContact CD2-CD 3.46Å; L143-P154 HydrophobicContact CD2-CG 3.58Å
144Q69.3Low62.3Low102 Ų10289.7 Ų89.748%0.47748%0.477SS..EExtended strand (participates in β ladder)trans-123.4147.2175.2-176.1172.52.900110.3L153 L158Q144-L153 PolarHBondContact N-O 3.45Å; Q144-L153 PolarHBondContact O-N 3.45Å; Q144-L153 VanDerWaalsContact O-N 3.1Å; Q144-L158 HydrophobicContact CB-CD2 3.6Å; Q144-L158 HydrophobicContact CG-CD2 3.77Å
145N61.1Low63.3Low74 Ų7486.7 Ų86.740%0.39646%0.456SS..EExtended strand (participates in β ladder)trans-77.9135176.7-72.2-52.1000110.4C147 R150 I151 L152N145-C147 PolarHBondContact O-N 3.33Å; N145-R150 PolarHBondContact OD1-O 3.33Å; N145-I151 WeakPolarHBondContact CA-O 3.47Å; N145-L152 WeakPolarHBondContact OD1-CD2 3.49Å; N145-L152 WeakPolarHBondContact OD1-CG 3.24Å
146C73.2Confident64.1Low1 Ų186.7 Ų86.71%0.00745%0.447CS..  trans-61.5130.9164.1-176.40000110.1Q148 C149 R150 I151 L158C146-Q148 PolarHBondContact O-N 3.21Å; C146-C149 WeakPolarHBondContact CB-SG 3.44Å; C146-C149 VanDerWaalsContact SG-SG 3.66Å; C146-R150 VanDerWaalsContact O-CA 3.24Å; C146-R150 WeakPolarHBondContact O-CA 3.19Å; C146-R150 PolarHBondContact O-N 3.35Å; C146-I151 PolarHBondContact N-O 2.8Å; C146-I151 VanDerWaalsContact N-O 3.08Å; C146-L158 HydrophobicContact CB-CD1 3.57Å
147C59.8Low64.7Low84 Ų8485.6 Ų85.657%0.56844%0.44SS*.THydrogen-bonded Turntrans-61.9-25179.956.20000112.7N145N145-C147 PolarHBondContact O-N 3.33Å
148Q64.7Low65.4Low121 Ų12177.5 Ų77.557%0.56540%0.402SS*.THydrogen-bonded Turntrans-93.4-44.6-176.8-56.3-58.8-1100113.8C146C146-Q148 PolarHBondContact O-N 3.21Å
149C63.7Low65.8Low51 Ų5177.9 Ų77.935%0.34540%0.4SS..THydrogen-bonded Turntrans-117.8-1.8-172.568.70000114.3C146 I151 H161C146-C149 WeakPolarHBondContact CB-SG 3.44Å; C146-C149 VanDerWaalsContact SG-SG 3.66Å; C149-I151 HydrophobicContact CB-CG1 4.44Å; C149-I151 PolarHBondContact O-N 3.27Å; C149-H161 PolarHBondContact SG-NE2 3.36Å
150R58.6Low66.3Low184 Ų18483.8 Ų83.869%0.69443%0.425SS*.  trans55.320177.3-59.8-65.6-173.4104.40.2115.8N145 C146N145-R150 PolarHBondContact OD1-O 3.33Å; C146-R150 VanDerWaalsContact O-CA 3.24Å; C146-R150 WeakPolarHBondContact O-CA 3.19Å; C146-R150 PolarHBondContact O-N 3.35Å
151I70.5Confident67.1Low88 Ų8878.9 Ų78.945%0.45141%0.407SS..  trans-71.2133170.2-57.4174.1000108.3N145 C146 C149 L153N145-I151 WeakPolarHBondContact CA-O 3.47Å; C146-I151 PolarHBondContact N-O 2.8Å; C146-I151 VanDerWaalsContact N-O 3.08Å; C149-I151 HydrophobicContact CB-CG1 4.44Å; C149-I151 PolarHBondContact O-N 3.27Å; I151-L153 HydrophobicContact CG2-CD1 4.27Å; I151-L153 HydrophobicContact CG2-CD2 4.25Å; I151-L153 HydrophobicContact CG2-CG 3.93Å
152L66.1Low67.4Low100 Ų10077 Ų7752%0.52439%0.394SS..EExtended strand (participates in β ladder)trans-78.5115.9172.6-77.6168.5000109.4L143 N145L143-L152 HydrophobicContact CB-CD2 4.27Å; N145-L152 WeakPolarHBondContact OD1-CD2 3.49Å; N145-L152 WeakPolarHBondContact OD1-CG 3.24Å
153L74.4Confident67.4Low36 Ų3679 Ų7919%0.18841%0.406CS..EExtended strand (participates in β ladder)trans-135.3149.7175.9-67.4169.6000109.7L143 Q144 I151 I157 L158 H161L143-L153 WeakPolarHBondContact CA-O 3.45Å; Q144-L153 PolarHBondContact N-O 3.45Å; Q144-L153 PolarHBondContact O-N 3.45Å; Q144-L153 VanDerWaalsContact O-N 3.1Å; I151-L153 HydrophobicContact CG2-CD1 4.27Å; I151-L153 HydrophobicContact CG2-CD2 4.25Å; I151-L153 HydrophobicContact CG2-CG 3.93Å; L153-I157 HydrophobicContact CB-CB 4.45Å; L153-I157 HydrophobicContact CB-CG2 4.48Å; L153-I157 HydrophobicContact CD1-CG2 4.26Å; L153-I157 HydrophobicContact CD2-CG2 4.17Å; L153-L158 HydrophobicContact CB-CB 4.07Å; L153-L158 HydrophobicContact CB-CD1 4.3Å; L153-L158 HydrophobicContact CD1-CD1 4.49Å; L153-H161 HydrophobicContact CD1-CB 3.8Å
154P77.6Confident67.1Low21 Ų2180.6 Ų80.614%0.13642%0.415CS..EExtended strand (participates in β ladder)trans-57.2139.4166.9-19.329.3000110.6Y140 L143 P156 I157 L158Y140-P154 HydrophobicContact CD1-CB 4.41Å; L143-P154 HydrophobicContact CD2-CB 4.21Å; L143-P154 VanDerWaalsContact CD2-CD 3.46Å; L143-P154 HydrophobicContact CD2-CG 3.58Å; P154-P156 VanDerWaalsContact C-N 3.33Å; P154-P156 HydrophobicContact CB-CG 4.43Å; P154-P156 VanDerWaalsContact O-N 3.1Å; P154-I157 HydrophobicContact CB-CD1 4.46Å; P154-I157 HydrophobicContact CG-CD1 4.01Å; P154-I157 PolarHBondContact O-N 3.49Å; P154-L158 WeakPolarHBondContact O-CB 3.48Å; P154-L158 PolarHBondContact O-N 3.42Å
155L68.3Low66.6Low71 Ų7177 Ų7737%0.37240%0.4SS..Hα-helixtrans-37.4-49.1-179.9-84.5162.1000116T142 I157 L158 N159T142-L155 HydrophobicContact CG2-CD1 3.88Å; T142-L155 PolarHBondContact O-N 3.47Å; L155-I157 PolarHBondContact O-N 3.43Å; L155-L158 WeakPolarHBondContact O-CB 3.27Å; L155-L158 PolarHBondContact O-N 3.21Å; L155-N159 PolarHBondContact O-N 2.91Å
156P68.3Low66.3Low52 Ų5277.8 Ų77.834%0.33841%0.411SS..Hα-helixtrans-64.2-39.5-179.521-31.8000112.8A139 Y140 P154 N159 E160A139-P156 WeakPolarHBondContact O-CD 3.48Å; Y140-P156 HydrophobicContact CD1-CG 3.92Å; Y140-P156 HydrophobicContact CE1-CB 4.5Å; Y140-P156 HydrophobicContact CE1-CG 3.64Å; P154-P156 VanDerWaalsContact C-N 3.33Å; P154-P156 HydrophobicContact CB-CG 4.43Å; P154-P156 VanDerWaalsContact O-N 3.1Å; P156-N159 PolarHBondContact O-N 3.19Å; P156-E160 PolarHBondContact O-N 2.9Å
157I71.3Confident65.3Low81 Ų8181.9 Ų81.942%0.41544%0.438SS..Hα-helixtrans-74.4-35.7177.7-53.6178.9000110.1L153 P154 L155 N159 E160 H161L153-I157 HydrophobicContact CB-CB 4.45Å; L153-I157 HydrophobicContact CB-CG2 4.48Å; L153-I157 HydrophobicContact CD1-CG2 4.26Å; L153-I157 HydrophobicContact CD2-CG2 4.17Å; P154-I157 HydrophobicContact CB-CD1 4.46Å; P154-I157 HydrophobicContact CG-CD1 4.01Å; P154-I157 PolarHBondContact O-N 3.49Å; L155-I157 PolarHBondContact O-N 3.43Å; I157-N159 VanDerWaalsContact C-N 3.27Å; I157-N159 PolarHBondContact O-N 3.42Å; I157-E160 PolarHBondContact O-N 3.42Å; I157-H161 WeakPolarHBondContact O-CB 3.4Å; I157-H161 PolarHBondContact O-N 3.06Å
158L69.2Low64.4Low1 Ų184 Ų841%0.00545%0.452CS..Hα-helixtrans-62.9-35.4176.1-175.765.1000111.7Q144 C146 L153 P154 L155 H161 Q162Q144-L158 HydrophobicContact CB-CD2 3.6Å; Q144-L158 HydrophobicContact CG-CD2 3.77Å; C146-L158 HydrophobicContact CB-CD1 3.57Å; L153-L158 HydrophobicContact CB-CB 4.07Å; L153-L158 HydrophobicContact CB-CD1 4.3Å; L153-L158 HydrophobicContact CD1-CD1 4.49Å; P154-L158 WeakPolarHBondContact O-CB 3.48Å; P154-L158 PolarHBondContact O-N 3.42Å; L155-L158 WeakPolarHBondContact O-CB 3.27Å; L155-L158 PolarHBondContact O-N 3.21Å; L158-H161 PolarHBondContact O-N 3.1Å; L158-Q162 HydrophobicContact CG-CG 4.49Å; L158-Q162 WeakPolarHBondContact O-CB 3.05Å; L158-Q162 VanDerWaalsContact O-CG 3.27Å; L158-Q162 WeakPolarHBondContact O-CG 3.19Å; L158-Q162 PolarHBondContact O-N 3.37Å; L158-Q162 PolarHBondContact O-NE2 2.82Å
159N64.9Low63.1Low105 Ų10585.4 Ų85.456%0.56146%0.462SS*.Hα-helixtrans-68-46.1178.6-167.143.2000111.7L155 P156 I157 H161 Q162 V163L155-N159 PolarHBondContact O-N 2.91Å; P156-N159 PolarHBondContact O-N 3.19Å; I157-N159 VanDerWaalsContact C-N 3.27Å; I157-N159 PolarHBondContact O-N 3.42Å; N159-H161 VanDerWaalsContact C-N 3.3Å; N159-H161 PolarHBondContact O-N 3.08Å; N159-Q162 PolarHBondContact O-N 3.3Å; N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 2.93Å
160E64.8Low62.2Low140 Ų14088.1 Ų88.165%0.65448%0.479SS*.Hα-helixtrans-62.5-40.7173.3-168.5-174102.500111.2P156 I157 V163 L164P156-E160 PolarHBondContact O-N 2.9Å; I157-E160 PolarHBondContact O-N 3.42Å; E160-V163 PolarHBondContact O-N 2.97Å; E160-L164 PolarHBondContact O-N 3.29Å
161H71.3Confident61.3Low46 Ų4686.8 Ų86.821%0.21349%0.486CS..Hα-helixtrans-63.2-40.8175.3177.579.9000112.4C149 L153 I157 L158 N159 V163 L164 C165C149-H161 PolarHBondContact SG-NE2 3.36Å; L153-H161 HydrophobicContact CD1-CB 3.8Å; I157-H161 WeakPolarHBondContact O-CB 3.4Å; I157-H161 PolarHBondContact O-N 3.06Å; L158-H161 PolarHBondContact O-N 3.1Å; N159-H161 VanDerWaalsContact C-N 3.3Å; N159-H161 PolarHBondContact O-N 3.08Å; H161-V163 VanDerWaalsContact C-N 3.27Å; H161-V163 PolarHBondContact O-N 3.48Å; H161-L164 CarbonylContact O-C 3.58Å; H161-L164 PolarHBondContact O-N 3.45Å; H161-C165 WeakPolarHBondContact O-CA 3.44Å; H161-C165 WeakPolarHBondContact O-CB 3.28Å; H161-C165 PolarHBondContact O-N 3.47Å
162Q67.5Low59.9Low90 Ų9088 Ų8842%0.42150%0.501SS..Hα-helixtrans-61.9-35.1178.6-8417575.600112.5L158 N159L158-Q162 HydrophobicContact CG-CG 4.49Å; L158-Q162 WeakPolarHBondContact O-CB 3.05Å; L158-Q162 VanDerWaalsContact O-CG 3.27Å; L158-Q162 WeakPolarHBondContact O-CG 3.19Å; L158-Q162 PolarHBondContact O-N 3.37Å; L158-Q162 PolarHBondContact O-NE2 2.82Å; N159-Q162 PolarHBondContact O-N 3.3Å
163V64.2Low58.6Low114 Ų11490.9 Ų90.969%0.69152%0.516SS*.Hα-helixtrans-69.2-36.2177.7177.80000111.3N159 E160 H161N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 2.93Å; E160-V163 PolarHBondContact O-N 2.97Å; H161-V163 VanDerWaalsContact C-N 3.27Å; H161-V163 PolarHBondContact O-N 3.48Å
164L60.5Low57.1Low131 Ų13196 Ų9669%0.68654%0.543SS*.Hα-helixtrans-89.2-21.8179.6-64.7170.3000113.3E160 H161 S166E160-L164 PolarHBondContact O-N 3.29Å; H161-L164 CarbonylContact O-C 3.58Å; H161-L164 PolarHBondContact O-N 3.45Å; L164-S166 PolarHBondContact O-N 3.44Å
165C59.7Low55.5Low25 Ų2599.9 Ų99.917%0.16957%0.571CS.*  trans-79.269.8176-165.30000109.1H161H161-C165 WeakPolarHBondContact O-CA 3.44Å; H161-C165 WeakPolarHBondContact O-CB 3.28Å; H161-C165 PolarHBondContact O-N 3.47Å
166S54.9Low54Low91 Ų91102.5 Ų102.564%0.63659%0.593SS**PPolyproline II helixtrans-55.5145.5169.4-67.80000110.1L164 C168L164-S166 PolarHBondContact O-N 3.44Å; S166-C168 PolarHBondContact O-N 3.33Å
167P51.5Low52.7Low88 Ų88108.5 Ų108.557%0.57162%0.622SS**PPolyproline II helixtrans-59.3133.4-179.925.3-32.3000108.9I169P167-I169 PolarHBondContact O-N 3.38Å; P167-I169 VanDerWaalsContact O-N 3.09Å
168C40.8Very low51.4Low128 Ų128107.3 Ų107.387%0.86563%0.629SS**SBendtrans-46.3123.8154.7-75.20000107.1S166S166-C168 PolarHBondContact O-N 3.33Å
169I38.3Very low50.4Low150 Ų150113.6 Ų113.677%0.76967%0.668SS**  trans-33.9136.6-172.1-61.7172.8000112.8P167 N171P167-I169 PolarHBondContact O-N 3.38Å; P167-I169 VanDerWaalsContact O-N 3.09Å; I169-N171 PolarHBondContact O-N 3.29Å
170P43.6Very low49.4Very low108 Ų108113.6 Ų113.670%0.70168%0.675SS**SBendtrans-76.596.2-172.332.7-33.6000110
171N39.5Very low48.1Very low156 Ų156113.5 Ų113.583%0.83469%0.688SS**  trans-149.327.2152.7-101.8-41.4000112.5I169 L173I169-N171 PolarHBondContact O-N 3.29Å; N171-L173 PolarHBondContact O-N 3.32Å
172C40.4Very low46.5Very low114 Ų114116.1 Ų116.177%0.7771%0.711SS**  trans-99.865.5168.8-125.80000109.3L174C172-L174 PolarHBondContact O-N 3.27Å
173L39.9Very low45.2Very low161 Ų161117.7 Ų117.784%0.84373%0.727SS**  trans-90.530.7170.5-119.7163.1000111.4N171N171-L173 PolarHBondContact O-N 3.32Å
174L42.8Very low44.3Very low144 Ų144118.7 Ų118.775%0.75473%0.728SS**SBendtrans-146.7112.8171.4-133.267.1000110.5C172C172-L174 PolarHBondContact O-N 3.27Å
175S44.6Very low43Very low102 Ų102121.1 Ų121.171%0.71373%0.733SS**  trans51.5105.9152.954.40000117.9
176C35.4Very low41.7Very low125 Ų125126.7 Ų126.785%0.84576%0.756SS**  trans-128.669.8151.6-82.30000110G178C176-G178 VanDerWaalsContact C-N 3.27Å; C176-G178 PolarHBondContact O-N 2.94Å
177L40.7Very low40.9Very low179 Ų179128.4 Ų128.494%0.93777%0.765SS**  trans-68.494.2142.5-89158.2000106.8
178G45.4Very low40.3Very low55 Ų55129.1 Ų129.157%0.56777%0.772SS**SBendtrans69.9130.215500000118.3C176C176-G178 VanDerWaalsContact C-N 3.27Å; C176-G178 PolarHBondContact O-N 2.94Å
179T47Very low40.4Very low134 Ų134128.1 Ų128.182%0.82276%0.757SS**  trans77.3127.2149.2-5.50000117.9
180C44.5Very low40.5Very low104 Ų104125.4 Ų125.470%0.70376%0.757SS**  trans58.8108.415158.80000120.2
181C37.2Very low40.6Very low139 Ų139126 Ų12694%0.93976%0.764SS**  trans-138.879.6131-97.30000109.3
182S38.7Very low40.9Very low100 Ų100126.1 Ų126.170%0.69976%0.76SS**  trans-57.9135.3150.8-49.50000108.3
183V40.4Very low40.6Very low124 Ų124126.7 Ų126.775%0.75276%0.764SS**SBendtrans78.9125.3142.7177.60000116.5
184L44.8Very low41Very low134 Ų134125.6 Ų125.670%0.70276%0.763SS**  trans77.5112161.1-61.8157.9000119
185K32.5Very low41Very low183 Ų183122.8 Ų122.880%0.79676%0.761SS**  -141.5103.9126.1-141.5105.7179.9-168.30111.2
186H33.2Very low41.1Very low141 Ų141123.3 Ų123.365%0.65376%0.762SS**  trans-49.8156.1160.9-100-101.4000112.2S188H186-S188 PolarHBondContact O-N 3.02Å
187P37.6Very low41.7Very low128 Ų128123.3 Ų123.383%0.83176%0.76SS**SBendtrans-75.827.2-17733-37.9000115.6
188S38.4Very low42.3Very low102 Ų102121.4 Ų121.471%0.71376%0.756SS**  trans-106.47.6-169.7-1660000116.5H186H186-S188 PolarHBondContact O-N 3.02Å
189L43.4Very low42.5Very low107 Ų107124 Ų12456%0.5676%0.763SS**  trans-126.835.3-176.9-68.5173000113.6S191L189-S191 PolarHBondContact O-N 2.77Å
190A40.9Very low42.7Very low93 Ų93123.7 Ų123.777%0.76976%0.763SS**THydrogen-bonded Turntrans-74.9-5.2175.900000114.2
191S46Very low42.9Very low121 Ų121124.3 Ų124.385%0.84677%0.768SS**THydrogen-bonded Turntrans-102.415.6-169.8-58.20000116.1L189L189-S191 PolarHBondContact O-N 2.77Å
192Q44.1Very low43.5Very low158 Ų158122.3 Ų122.374%0.73876%0.762SS**  trans-120.111-177.3-73.8-178.654.800115.6V194Q192-V194 PolarHBondContact O-N 2.86Å
193C35.8Very low44Very low127 Ų127123.3 Ų123.386%0.85877%0.769SS**  trans-92.490.5174.6-63.20000110.7
194V48Very low44.5Very low138 Ų138123.6 Ų123.684%0.83677%0.77SS**PPolyproline II helixtrans-88.8132.1161.6175.80000108.1Q192Q192-V194 PolarHBondContact O-N 2.86Å
195A42.9Very low44.8Very low84 Ų84122.5 Ų122.569%0.69477%0.774SS**PPolyproline II helixtrans-63.9144.1179.700000111.9
196P46.8Very low45.6Very low113 Ų113121.2 Ų121.273%0.73478%0.775SS**PPolyproline II helixtrans-69.2150.1174.728.9-33.7000111.5
197P47.4Very low46.5Very low126 Ų126124 Ų12482%0.81881%0.809SS**PPolyproline II helixtrans-72.1138.6-179.829.6-32.9000111.5
198V53Low46.9Very low138 Ų138123.9 Ų123.984%0.83681%0.807SS**PPolyproline II helixtrans-73.2130.8177-146.10000109.3
199P49.8Very low47.3Very low111 Ų111125 Ų12572%0.72181%0.812SS**PPolyproline II helixtrans-74.1147.5176.229.4-33.3000111.3
200P52.2Low47.6Very low127 Ų127126 Ų12683%0.82583%0.826SS**PPolyproline II helixtrans-73.4134.2178.629-32.6000111.6A202P200-A202 PolarHBondContact O-N 3.36Å
201S48.2Very low47.9Very low116 Ų116127.9 Ų127.981%0.81183%0.83SS**PPolyproline II helixtrans-63.4119.2172.540.40000111.3S203S201-S203 PolarHBondContact O-N 3.23Å
202A48.6Very low48.1Very low98 Ų98128.4 Ų128.481%0.8183%0.829SS**PPolyproline II helixtrans-75.1116.5173.900000110.6P200 V204P200-A202 PolarHBondContact O-N 3.36Å; A202-V204 PolarHBondContact O-N 3.16Å
203S51Low48.3Very low121 Ų121126.4 Ų126.485%0.84684%0.835SS**  trans-71.8114.4169.4-5.50000109.2S201 S205S201-S203 PolarHBondContact O-N 3.23Å; S203-S205 PolarHBondContact O-N 3.21Å
204V49Very low49.2Very low129 Ų129126.4 Ų126.478%0.78283%0.833SS**  trans-75.2112.3170.6179.90000108.1A202 L206A202-V204 PolarHBondContact O-N 3.16Å; V204-L206 HydrophobicContact CG1-CD1 4.33Å
205S52.6Low49.3Very low112 Ų112125.5 Ų125.578%0.78383%0.833SS**  trans-89.3114.8171.8-150.10000108.4S203S203-S205 PolarHBondContact O-N 3.21Å
206L49.7Very low49.9Very low156 Ų156128.9 Ų128.982%0.81785%0.845SS**  trans-74.9130.6170.5-95.177.8000109.6V204V204-L206 HydrophobicContact CG1-CD1 4.33Å
207C50Low50.1Low200 Ų200130.4 Ų130.4100%1.35186%0.855SS**  trans-132.30157.1-75.40000107.7

Retrieved 207 of 207 residues in 31.2 ms (Link to these results)