A0A096M5I0_POEFO Loading...

TBC1 domain family member 24

May act as a GTPase-activating protein for Rab family protein(s). Involved in neuronal projections development, probably through a negative modulation of ARF6 function. Involved in the regulation of synaptic vesicle trafficking.

AlphaFold DB , UniProt , Accession A0A096M5I0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 593 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
1M40.1Very low73.5Confident198 Ų19864.3 Ų64.398%0.97534%0.337SS*.  0-11.40-64.4-143.4-5300115.7E3M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact N-OE2 3.48Å
2A39.9Very low75Confident37 Ų3764 Ų6431%0.30633%0.328SS..  trans-81.9-11.116000000112D4A2-D4 PolarHBondContact O-N 2.64Å
3E51.2Low76.1Confident119 Ų11966.8 Ų66.856%0.55636%0.356SS*.THydrogen-bonded Turntrans-65.1-28.4-175.4-72143.3142.100114.3M1M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact N-OE2 3.48Å
4D62.1Low77.1Confident136 Ų13668.4 Ų68.473%0.72736%0.361SS*.THydrogen-bonded Turntrans-93.3-24.9-161.2-64.3-26.7000115.9A2A2-D4 PolarHBondContact O-N 2.64Å
5E78.4Confident77.7Confident71 Ų7164.4 Ų64.433%0.33234%0.34SS..THydrogen-bonded Turntrans-97.7-37.5-170.2-165.1173.9-16600114.4K49 K146E5-K49 VanDerWaalsContact OE2-CE 3.27Å; E5-K49 WeakPolarHBondContact OE2-CE 3.47Å; E5-K49 IonicContact OE2-NZ 3.39Å; E5-K49 PolarHBondContact OE2-NZ 3.37Å; E5-K146 VanDerWaalsContact O-CA 3.29Å; E5-K146 WeakPolarHBondContact O-CA 3.49Å; E5-K146 WeakPolarHBondContact O-CB 3.48Å; E5-K146 WeakPolarHBondContact O-CG 3.22Å
6Y83.7Confident78.1Confident16 Ų1663.5 Ų63.56%0.06335%0.351CS..SBendtrans-128.710-178-60.8-81.5000112.6H48 K49 A52 Q53 Q56 K146Y6-H48 PolarHBondContact O-CE1 3.4Å; Y6-H48 VanDerWaalsContact O-CE1 3.22Å; Y6-K49 HydrophobicContact CD2-CG 4.23Å; Y6-K49 HydrophobicContact CE2-CG 4.37Å; Y6-A52 HydrophobicContact CD1-CB 3.67Å; Y6-A52 HydrophobicContact CD2-CB 3.98Å; Y6-A52 HydrophobicContact CE1-CB 4.07Å; Y6-A52 HydrophobicContact CE2-CB 4.37Å; Y6-A52 HydrophobicContact CG-CB 3.61Å; Y6-Q53 HydrophobicContact CE2-CG 4.42Å; Y6-Q56 PolarHBondContact OH-OE1 3.32Å; Y6-K146 HydrophobicContact CD1-CB 4.13Å; Y6-K146 HydrophobicContact CE1-CB 4.15Å
7G82.1Confident77.9Confident2 Ų268.5 Ų68.52%0.02138%0.377CS..  trans-97.9-3.1-17500000115.5F9 V10 W12G7-F9 VanDerWaalsContact C-N 3.26Å; G7-F9 PolarHBondContact O-N 3.17Å; G7-F9 VanDerWaalsContact O-N 3.13Å; G7-V10 PolarHBondContact O-N 2.81Å; G7-W12 VanDerWaalsContact CA-CZ2 3.5Å
8T89.9Confident77.6Confident71 Ų7166.1 Ų66.144%0.43636%0.363SS..THydrogen-bonded Turntrans-53.6-41.4-166.5-490000113.3K107 K146T8-K107 WeakPolarHBondContact O-CE 3.27Å; T8-K107 PolarHBondContact O-NZ 2.78Å; T8-K146 PolarHBondContact OG1-O 2.89Å
9F93.9Very high77.4Confident18 Ų1864.7 Ų64.78%0.07936%0.362CS..THydrogen-bonded Turntrans-92.9-7.8-175-56.4-71.3000114.3G7 L106 K107 A110 L142 E148G7-F9 VanDerWaalsContact C-N 3.26Å; G7-F9 PolarHBondContact O-N 3.17Å; G7-F9 VanDerWaalsContact O-N 3.13Å; F9-L106 HydrophobicContact CB-CD2 4.06Å; F9-L106 WeakPolarHBondContact O-CA 3.42Å; F9-K107 PolarHBondContact O-N 3.31Å; F9-A110 HydrophobicContact CB-CB 3.82Å; F9-A110 HydrophobicContact CD1-CB 3.92Å; F9-A110 HydrophobicContact CG-CB 4.35Å; F9-L142 HydrophobicContact CB-CD2 4.42Å; F9-L142 HydrophobicContact CB-CG 4.02Å; F9-L142 HydrophobicContact CD1-CD1 4.12Å; F9-L142 HydrophobicContact CD1-CD2 4.3Å; F9-L142 HydrophobicContact CD1-CG 4.24Å; F9-L142 HydrophobicContact CD2-CD1 3.57Å; F9-L142 HydrophobicContact CD2-CG 3.86Å; F9-L142 HydrophobicContact CE1-CD1 4.17Å; F9-L142 HydrophobicContact CE2-CD1 3.63Å; F9-L142 HydrophobicContact CE2-CG 4.42Å; F9-L142 HydrophobicContact CG-CD1 3.84Å; F9-L142 HydrophobicContact CG-CD2 4.24Å; F9-L142 HydrophobicContact CG-CG 3.76Å; F9-L142 HydrophobicContact CZ-CD1 3.94Å; F9-E148 HydrophobicContact CE1-CG 4.07Å; F9-E148 HydrophobicContact CZ-CG 3.85Å
10V93.4Very high77.3Confident1 Ų166.3 Ų66.31%0.00637%0.373CS..BIsolated β-bridgetrans-92.9132.2-168179.20000111G7 W12 M15 K107 H143G7-V10 PolarHBondContact O-N 2.81Å; V10-W12 HydrophobicContact CG1-CD2 4.05Å; V10-W12 HydrophobicContact CG1-CE3 4.19Å; V10-W12 HydrophobicContact CG1-CG 4.4Å; V10-W12 PolarHBondContact O-N 3.08Å; V10-M15 HydrophobicContact CG1-CE 3.88Å; V10-M15 HydrophobicContact CG1-CG 3.38Å; V10-M15 HydrophobicContact CG1-SD 3.75Å; V10-K107 WeakPolarHBondContact O-CE 3.37Å; V10-H143 HydrophobicContact CG2-CB 4.29Å; V10-H143 WeakPolarHBondContact CG2-O 3.44Å
11D93.9Very high77.2Confident38 Ų3865.5 Ų65.520%0.20337%0.372CS..  trans-83.793.9162.1-175.9-9.5000108.7S13 Q14 R103 C105 K107D11-S13 PolarHBondContact O-N 3.34Å; D11-S13 VanDerWaalsContact O-N 3.12Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.42Å; D11-Q14 HydrophobicContact CB-CG 4.43Å; D11-Q14 PolarHBondContact O-N 2.77Å; D11-Q14 PolarHBondContact OD2-NE2 3.07Å; D11-R103 IonicContact OD2-NH2 2.72Å; D11-C105 PolarHBondContact N-O 2.7Å; D11-K107 HydrophobicContact CB-CG 4.24Å
12W91.1Very high78.8Confident61 Ų6158.6 Ų58.623%0.23134%0.343CS..G310 helixtrans-59.8-22.9-176.1-67.8106.3000113.8G7 V10 Q14 M15 A19 H48G7-W12 VanDerWaalsContact CA-CZ2 3.5Å; V10-W12 HydrophobicContact CG1-CD2 4.05Å; V10-W12 HydrophobicContact CG1-CE3 4.19Å; V10-W12 HydrophobicContact CG1-CG 4.4Å; V10-W12 PolarHBondContact O-N 3.08Å; W12-Q14 PolarHBondContact O-N 3.41Å; W12-M15 HydrophobicContact CE3-CB 4.39Å; W12-M15 HydrophobicContact CE3-CG 4.06Å; W12-M15 HydrophobicContact CZ3-CE 4.23Å; W12-M15 PolarHBondContact O-N 2.85Å; W12-A19 HydrophobicContact CE3-CB 4.29Å; W12-H48 HydrophobicContact CH2-CB 4.28Å; W12-H48 AromaticContact CH2-CG 3.75Å; W12-H48 AromaticContact CH2-ND1 3.79Å; W12-H48 HydrophobicContact CZ3-CB 4.41Å
13S90.2Very high80.6Confident100 Ų10059.5 Ų59.570%0.69936%0.356SS*.G310 helixtrans-65.6-24.9175.9740000112.7D11D11-S13 PolarHBondContact O-N 3.34Å; D11-S13 VanDerWaalsContact O-N 3.12Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.42Å
14Q89.7Confident82Confident89 Ų8955.7 Ų55.742%0.41634%0.342SS..G310 helixtrans-97-6.6-178.2-57.8-169.936.200113.2D11 W12 G16 Y104 C105D11-Q14 HydrophobicContact CB-CG 4.43Å; D11-Q14 PolarHBondContact O-N 2.77Å; D11-Q14 PolarHBondContact OD2-NE2 3.07Å; W12-Q14 PolarHBondContact O-N 3.41Å; Q14-G16 VanDerWaalsContact C-N 3.3Å; Q14-G16 PolarHBondContact O-N 3.38Å; Q14-Y104 PolarHBondContact OE1-O 3.26Å; Q14-C105 HydrophobicContact CB-CB 4.06Å; Q14-C105 PolarHBondContact O-SG 2.94Å
15M85.7Confident82.9Confident9 Ų954.3 Ų54.34%0.04434%0.338CS..SBendtrans-76.6-13-177.6-73.9-71.9-97.500113.8V10 W12 D17 L18 A19 H48 C105 F222V10-M15 HydrophobicContact CG1-CE 3.88Å; V10-M15 HydrophobicContact CG1-CG 3.38Å; V10-M15 HydrophobicContact CG1-SD 3.75Å; W12-M15 HydrophobicContact CE3-CB 4.39Å; W12-M15 HydrophobicContact CE3-CG 4.06Å; W12-M15 HydrophobicContact CZ3-CE 4.23Å; W12-M15 PolarHBondContact O-N 2.85Å; M15-D17 PolarHBondContact O-N 3.11Å; M15-L18 HydrophobicContact CB-CB 4.36Å; M15-L18 HydrophobicContact CE-CB 4.41Å; M15-L18 WeakPolarHBondContact O-CB 3.42Å; M15-L18 PolarHBondContact O-N 3.41Å; M15-A19 HydrophobicContact CB-CB 4.08Å; M15-H48 WeakPolarHBondContact CE-CD2 3.23Å; M15-C105 HydrophobicContact CG-CB 3.99Å; M15-C105 HydrophobicContact SD-CB 3.57Å; M15-C105 VanDerWaalsContact SD-CB 3.57Å; M15-F222 HydrophobicContact CE-CE1 4Å; M15-F222 HydrophobicContact CE-CZ 4.16Å; M15-F222 HydrophobicContact SD-CD1 4.14Å; M15-F222 HydrophobicContact SD-CE1 3.27Å; M15-F222 WeakPolarHBondContact SD-CE1 3.46Å; M15-F222 HydrophobicContact SD-CZ 3.71Å
16G83.6Confident83Confident50 Ų5058.9 Ų58.952%0.51536%0.357SS..G310 helixtrans55.7-134-177.500000112Q14 L18 A19Q14-G16 VanDerWaalsContact C-N 3.3Å; Q14-G16 PolarHBondContact O-N 3.38Å; G16-L18 PolarHBondContact O-N 3.47Å; G16-A19 VanDerWaalsContact O-CB 3.24Å; G16-A19 WeakPolarHBondContact O-CB 3.43Å; G16-A19 PolarHBondContact O-N 3.48Å
17D75Confident82.9Confident149 Ų14959.9 Ų59.980%0.79736%0.363SS*.G310 helixtrans-58.9-21-179.8-63.9-13.9000114M15 A19 T20M15-D17 PolarHBondContact O-N 3.11Å; D17-A19 VanDerWaalsContact C-N 3.26Å; D17-A19 PolarHBondContact O-N 2.91Å; D17-T20 PolarHBondContact O-N 2.93Å; D17-T20 PolarHBondContact O-OG1 3.22Å; D17-T20 VanDerWaalsContact O-OG1 3.05Å
18L72.3Confident82.5Confident24 Ų2466.1 Ų66.113%0.12640%0.396CS..G310 helixtrans-75.2-14.3176.9-65.6169.1000113.1M15 G16 T20 A45 F222M15-L18 HydrophobicContact CB-CB 4.36Å; M15-L18 HydrophobicContact CE-CB 4.41Å; M15-L18 WeakPolarHBondContact O-CB 3.42Å; M15-L18 PolarHBondContact O-N 3.41Å; G16-L18 PolarHBondContact O-N 3.47Å; L18-T20 VanDerWaalsContact C-N 3.27Å; L18-A45 WeakPolarHBondContact CD2-O 3.46Å; L18-F222 HydrophobicContact CD1-CD1 4.2Å; L18-F222 HydrophobicContact CD1-CE1 3.82Å
19A74.8Confident81.7Confident41 Ų4163.5 Ų63.534%0.33938%0.38SS..G310 helixtrans-67.3-32.3174.200000111.5W12 M15 G16 D17 S21W12-A19 HydrophobicContact CE3-CB 4.29Å; M15-A19 HydrophobicContact CB-CB 4.08Å; G16-A19 VanDerWaalsContact O-CB 3.24Å; G16-A19 WeakPolarHBondContact O-CB 3.43Å; G16-A19 PolarHBondContact O-N 3.48Å; D17-A19 VanDerWaalsContact C-N 3.26Å; D17-A19 PolarHBondContact O-N 2.91Å; A19-S21 PolarHBondContact O-N 2.8Å
20T74.4Confident80.6Confident96 Ų9671.9 Ų71.959%0.58942%0.417SS*.SBendtrans-9399.317752.60000110.2D17 L18 S22D17-T20 PolarHBondContact O-N 2.93Å; D17-T20 PolarHBondContact O-OG1 3.22Å; D17-T20 VanDerWaalsContact O-OG1 3.05Å; L18-T20 VanDerWaalsContact C-N 3.27Å; T20-S22 PolarHBondContact O-N 3.24Å; T20-S22 VanDerWaalsContact O-N 3.12Å
21S75.5Confident80Confident50 Ų5078 Ų7835%0.3545%0.445SS..  trans-62.7116.2175.9-72.30000110.6A19 K46A19-S21 PolarHBondContact O-N 2.8Å; S21-K46 WeakPolarHBondContact CA-O 3.37Å
22S74.3Confident79.3Confident53 Ų5381.5 Ų81.537%0.37146%0.463SS..  trans-137157.2175.560.40000111.1T20 K46T20-S22 PolarHBondContact O-N 3.24Å; T20-S22 VanDerWaalsContact O-N 3.12Å; S22-K46 PolarHBondContact N-O 3.41Å; S22-K46 CarbonylContact O-C 3.53Å; S22-K46 VanDerWaalsContact O-CB 3.3Å; S22-K46 WeakPolarHBondContact O-CB 3.29Å; S22-K46 WeakPolarHBondContact OG-CB 3.06Å
23G77.9Confident78.9Confident56 Ų5686.6 Ų86.658%0.57749%0.487SS*.SBendtrans95.6-158.3-178.900000114
24P79.6Confident78.7Confident39 Ų3986.1 Ų86.125%0.25347%0.474SS..  trans-60.2148.3-174.1-20.731.7000112.3Y43 N47 L50P24-Y43 HydrophobicContact CB-CD1 4.24Å; P24-Y43 HydrophobicContact CB-CE1 3.43Å; P24-Y43 VanDerWaalsContact CB-CE1 3.43Å; P24-Y43 HydrophobicContact CB-CE2 4.42Å; P24-Y43 WeakPolarHBondContact CB-OH 3.43Å; P24-Y43 WeakPolarHBondContact CD-O 3.41Å; P24-Y43 HydrophobicContact CG-CD1 3.94Å; P24-Y43 HydrophobicContact CG-CD2 4.18Å; P24-Y43 HydrophobicContact CG-CE1 3.44Å; P24-Y43 VanDerWaalsContact CG-CE1 3.44Å; P24-Y43 HydrophobicContact CG-CE2 3.7Å; P24-Y43 HydrophobicContact CG-CG 4.29Å; P24-N47 PolarHBondContact O-ND2 3.48Å; P24-L50 HydrophobicContact CB-CD2 3.96Å; P24-L50 WeakPolarHBondContact O-CD2 3.33Å
25T81.1Confident78.6Confident106 Ų10682.6 Ų82.665%0.6546%0.457SS*.SBendtrans-110.7-10.2179.5540000113.6
26K81.1Confident78.9Confident167 Ų16785.1 Ų85.173%0.72647%0.468SS*.SBendtrans-136.3152.9178-66-174.6-180-178.60109.7
27L81.6Confident79.3Confident37 Ų3788.1 Ų88.119%0.19447%0.468CS..  trans-103.3114.3170-164.392.8000108.3C29 F35 M38 Y43 W44 L50 V54L27-C29 HydrophobicContact CD2-CB 4.21Å; L27-C29 HydrophobicContact CG-CB 4.24Å; L27-F35 HydrophobicContact CD2-CD2 4.15Å; L27-F35 HydrophobicContact CD2-CE2 3.25Å; L27-F35 HydrophobicContact CD2-CZ 3.56Å; L27-M38 HydrophobicContact CD1-CE 3.72Å; L27-Y43 HydrophobicContact CD1-CD1 4.47Å; L27-W44 HydrophobicContact CD1-CE3 3.85Å; L27-W44 HydrophobicContact CD1-CZ3 3.92Å; L27-L50 HydrophobicContact CB-CD1 4.3Å; L27-V54 HydrophobicContact CD1-CG2 3.9Å; L27-V54 HydrophobicContact CD2-CG2 4.38Å; L27-V54 HydrophobicContact CG-CG2 4.49Å
28D72.7Confident80.2Confident134 Ų13481.7 Ų81.772%0.71743%0.434SS*.  trans-111.186.3168.9-163.53.5000107.4
29C73.5Confident81.2Confident15 Ų1580.6 Ų80.610%0.10143%0.428CS..  trans-146.3125.2180-177.60000109L27 E31 E34 F35 M38L27-C29 HydrophobicContact CD2-CB 4.21Å; L27-C29 HydrophobicContact CG-CB 4.24Å; C29-E31 PolarHBondContact SG-O 2.77Å; C29-E31 VanDerWaalsContact SG-O 3.4Å; C29-E34 PolarHBondContact SG-OE2 3.35Å; C29-F35 HydrophobicContact CB-CD2 4.18Å; C29-M38 HydrophobicContact CB-SD 3.88Å
30K71.3Confident82.2Confident194 Ų19483.7 Ų83.784%0.84343%0.431SS*.  trans-110.9-17.6-179.4-62.6-178.2-176.4176.40112.6
31E80.2Confident83.1Confident129 Ų12985.6 Ų85.660%0.60343%0.433SS*.  trans-109.4133.8-175-65-167.2-178.700113.4C29 K33 E34 F35C29-E31 PolarHBondContact SG-O 2.77Å; C29-E31 VanDerWaalsContact SG-O 3.4Å; E31-K33 PolarHBondContact O-N 3.15Å; E31-E34 HydrophobicContact CB-CB 4.42Å; E31-E34 PolarHBondContact O-N 3.29Å; E31-F35 PolarHBondContact O-N 3.19Å
32L79Confident83.9Confident112 Ų11283.9 Ų83.959%0.58642%0.424SS*.Hα-helixtrans-59.9-30.8179.9-174.168.7000113.7K36L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 2.92Å; L32-K36 VanDerWaalsContact O-N 3.14Å
33K83Confident84.8Confident169 Ų16986 Ų8674%0.73542%0.424SS*.Hα-helixtrans-68.4-45.1179.4-76.1-178.8-179.3172.30111.5E31 F35 K36 Q37E31-K33 PolarHBondContact O-N 3.15Å; K33-F35 VanDerWaalsContact C-N 3.34Å; K33-K36 PolarHBondContact O-N 3.45Å; K33-Q37 PolarHBondContact O-N 3.34Å
34E86.6Confident85.5Confident90 Ų9083.4 Ų83.442%0.42140%0.397SS..Hα-helixtrans-63.6-43175.7-175.6-179.6-147.800110.3C29 E31 K36 Q37 M38C29-E34 PolarHBondContact SG-OE2 3.35Å; E31-E34 HydrophobicContact CB-CB 4.42Å; E31-E34 PolarHBondContact O-N 3.29Å; E34-K36 VanDerWaalsContact C-N 3.31Å; E34-K36 PolarHBondContact O-N 2.72Å; E34-Q37 WeakPolarHBondContact O-CA 3.49Å; E34-Q37 WeakPolarHBondContact O-CB 3.27Å; E34-Q37 PolarHBondContact O-N 3.27Å; E34-M38 HydrophobicContact CG-CG 4.42Å; E34-M38 HydrophobicContact CG-SD 4.05Å; E34-M38 WeakPolarHBondContact O-CG 3.43Å; E34-M38 PolarHBondContact O-N 2.83Å
35F88.1Confident86.1Confident14 Ų1482.1 Ų82.16%0.06139%0.39CS..Hα-helixtrans-56.6-42176.4-142.3-69.1000113L27 C29 E31 K33 M38 A39 W44 V54 L58 V234L27-F35 HydrophobicContact CD2-CD2 4.15Å; L27-F35 HydrophobicContact CD2-CE2 3.25Å; L27-F35 HydrophobicContact CD2-CZ 3.56Å; C29-F35 HydrophobicContact CB-CD2 4.18Å; E31-F35 PolarHBondContact O-N 3.19Å; K33-F35 VanDerWaalsContact C-N 3.34Å; F35-M38 PolarHBondContact O-N 3.39Å; F35-A39 WeakPolarHBondContact O-CB 3.15Å; F35-A39 PolarHBondContact O-N 3.13Å; F35-W44 AromaticContact CD1-CH2 3.81Å; F35-W44 HydrophobicContact CD1-CH2 3.81Å; F35-W44 HydrophobicContact CD1-CZ3 4.38Å; F35-W44 AromaticContact CE1-CH2 3.55Å; F35-W44 HydrophobicContact CE1-CH2 3.55Å; F35-W44 HydrophobicContact CE1-CZ2 4.27Å; F35-W44 HydrophobicContact CE1-CZ3 4.07Å; F35-V54 HydrophobicContact CE1-CG1 3.88Å; F35-V54 HydrophobicContact CZ-CG1 3.9Å; F35-L58 HydrophobicContact CD1-CD2 4.12Å; F35-L58 HydrophobicContact CE1-CD1 3.88Å; F35-L58 HydrophobicContact CE1-CD2 3.61Å; F35-L58 HydrophobicContact CE1-CG 3.92Å; F35-L58 HydrophobicContact CZ-CD1 4.43Å; F35-L58 HydrophobicContact CZ-CD2 3.83Å; F35-L58 HydrophobicContact CZ-CG 4.05Å; F35-V234 HydrophobicContact CD1-CG1 4.3Å; F35-V234 HydrophobicContact CD1-CG2 3.79Å; F35-V234 HydrophobicContact CE1-CG2 4.05Å
36K91.5Very high86.6Confident62 Ų6283.7 Ų83.727%0.2739%0.387SS..Hα-helixtrans-61.6-43.1174.3-74.9172.2-176.3174.30112L32 K33 E34 R40 V234 E235L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 2.92Å; L32-K36 VanDerWaalsContact O-N 3.14Å; K33-K36 PolarHBondContact O-N 3.45Å; E34-K36 VanDerWaalsContact C-N 3.31Å; E34-K36 PolarHBondContact O-N 2.72Å; K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.44Å; K36-R40 PolarHBondContact O-N 3.47Å; K36-R40 VanDerWaalsContact O-N 3.14Å; K36-V234 HydrophobicContact CB-CG1 4.34Å; K36-V234 HydrophobicContact CG-CG1 3.52Å; K36-E235 HydrophobicContact CD-CG 4.31Å; K36-E235 HydrophobicContact CG-CG 4.01Å
37Q91.9Very high87.1Confident113 Ų11376.3 Ų76.353%0.52836%0.356SS..Hα-helixtrans-65.2-45.9179.4-177.5170.14.300111K33 E34 A39 R40 Q41K33-Q37 PolarHBondContact O-N 3.34Å; E34-Q37 WeakPolarHBondContact O-CA 3.49Å; E34-Q37 WeakPolarHBondContact O-CB 3.27Å; E34-Q37 PolarHBondContact O-N 3.27Å; Q37-A39 PolarHBondContact O-N 3.4Å; Q37-R40 PolarHBondContact O-N 2.65Å; Q37-Q41 HydrophobicContact CG-CG 4.42Å; Q37-Q41 WeakPolarHBondContact O-CB 3.38Å; Q37-Q41 VanDerWaalsContact O-CG 3.31Å; Q37-Q41 WeakPolarHBondContact O-CG 3.27Å; Q37-Q41 PolarHBondContact O-N 3.08Å
38M93.4Very high87.6Confident15 Ų1574.6 Ų74.67%0.07435%0.347CS..Hα-helixtrans-60-43.7177.2-66.8173.777.100112.2L27 C29 E34 F35 R40 Q41 G42 Y43 W44L27-M38 HydrophobicContact CD1-CE 3.72Å; C29-M38 HydrophobicContact CB-SD 3.88Å; E34-M38 HydrophobicContact CG-CG 4.42Å; E34-M38 HydrophobicContact CG-SD 4.05Å; E34-M38 WeakPolarHBondContact O-CG 3.43Å; E34-M38 PolarHBondContact O-N 2.83Å; F35-M38 PolarHBondContact O-N 3.39Å; M38-R40 PolarHBondContact O-N 2.95Å; M38-Q41 PolarHBondContact O-N 2.85Å; M38-G42 PolarHBondContact O-N 2.57Å; M38-Y43 HydrophobicContact CB-CG 4.42Å; M38-Y43 HydrophobicContact CE-CD1 3.27Å; M38-Y43 HydrophobicContact CE-CD2 3.86Å; M38-Y43 HydrophobicContact CE-CE1 3.42Å; M38-Y43 VanDerWaalsContact CE-CE1 3.42Å; M38-Y43 HydrophobicContact CE-CE2 4Å; M38-Y43 HydrophobicContact CE-CG 3.49Å; M38-Y43 VanDerWaalsContact CE-CG 3.49Å; M38-Y43 PolarHBondContact O-N 3.06Å; M38-W44 HydrophobicContact CB-CE3 4.48Å; M38-W44 HydrophobicContact CB-CH2 4.26Å; M38-W44 HydrophobicContact CB-CZ3 3.65Å
39A94.4Very high88.4Confident0 Ų071.6 Ų71.60%033%0.328CS..Hα-helixtrans-60.6-46.6177.100000112.2F35 Q37 G42 W44 R227 V231 V234F35-A39 WeakPolarHBondContact O-CB 3.15Å; F35-A39 PolarHBondContact O-N 3.13Å; Q37-A39 PolarHBondContact O-N 3.4Å; A39-G42 PolarHBondContact O-N 2.96Å; A39-W44 VanDerWaalsContact CA-CH2 3.45Å; A39-W44 HydrophobicContact CB-CH2 3.56Å; A39-W44 HydrophobicContact CB-CZ2 3.57Å; A39-R227 PolarHBondContact O-NH1 2.94Å; A39-R227 VanDerWaalsContact O-NH1 3.14Å; A39-R227 PolarHBondContact O-NH2 3.24Å; A39-V231 HydrophobicContact CB-CG2 4.27Å; A39-V234 HydrophobicContact CB-CG2 3.94Å
40R94.8Very high89.3Confident107 Ų10771 Ų7140%0.40432%0.323SS..Hα-helixtrans-65.6-39179-71.4175.8-177.2-178.92.9112.3K36 Q37 M38 G42 R227 V231 E235 F297K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.44Å; K36-R40 PolarHBondContact O-N 3.47Å; K36-R40 VanDerWaalsContact O-N 3.14Å; Q37-R40 PolarHBondContact O-N 2.65Å; M38-R40 PolarHBondContact O-N 2.95Å; R40-G42 VanDerWaalsContact C-N 3.27Å; R40-G42 PolarHBondContact O-N 2.86Å; R40-R227 PolarHBondContact O-NH2 3.1Å; R40-V231 HydrophobicContact CG-CG1 4.01Å; R40-V231 HydrophobicContact CG-CG2 4.35Å; R40-E235 IonicContact CZ-OE1 3.82Å; R40-E235 IonicContact CZ-OE2 3.14Å; R40-E235 IonicContact NE-OE1 2.82Å; R40-E235 PolarHBondContact NE-OE1 3Å; R40-E235 IonicContact NH2-OE1 3.61Å; R40-E235 PolarHBondContact NH2-OE1 3.43Å; R40-E235 IonicContact NH2-OE2 2.83Å; R40-E235 PolarHBondContact NH2-OE2 2.82Å; R40-F297 HydrophobicContact CG-CD2 4.4Å; R40-F297 HydrophobicContact CG-CE2 4.15Å; R40-F297 HydrophobicContact CG-CZ 4.26Å
41Q93.6Very high90.4Very high135 Ų13561.8 Ų61.863%0.63128%0.283SS*.Hα-helixtrans-75.8-14.8177.5-70.6174.8-14.200113.3Q37 M38Q37-Q41 HydrophobicContact CG-CG 4.42Å; Q37-Q41 WeakPolarHBondContact O-CB 3.38Å; Q37-Q41 VanDerWaalsContact O-CG 3.31Å; Q37-Q41 WeakPolarHBondContact O-CG 3.27Å; Q37-Q41 PolarHBondContact O-N 3.08Å; M38-Q41 PolarHBondContact O-N 2.85Å
42G93.4Very high91.1Very high15 Ų1555.7 Ų55.716%0.15526%0.255CS..THydrogen-bonded Turntrans77.639179.700000112.9M38 A39 R40 W44 A45 R227M38-G42 PolarHBondContact O-N 2.57Å; A39-G42 PolarHBondContact O-N 2.96Å; R40-G42 VanDerWaalsContact C-N 3.27Å; R40-G42 PolarHBondContact O-N 2.86Å; G42-W44 VanDerWaalsContact C-N 3.33Å; G42-W44 PolarHBondContact O-N 3.25Å; G42-A45 WeakPolarHBondContact O-CB 3.44Å; G42-A45 PolarHBondContact O-N 3.33Å; G42-R227 VanDerWaalsContact CA-CZ 3.5Å; G42-R227 VanDerWaalsContact CA-NH2 3.27Å
43Y93.1Very high91.8Very high97 Ų9753.8 Ų53.838%0.3824%0.243SC..THydrogen-bonded Turntrans-54.3-45.5-177.4-176.3-94.6000113.4P24 L27 M38 A45 L50P24-Y43 HydrophobicContact CB-CD1 4.24Å; P24-Y43 HydrophobicContact CB-CE1 3.43Å; P24-Y43 VanDerWaalsContact CB-CE1 3.43Å; P24-Y43 HydrophobicContact CB-CE2 4.42Å; P24-Y43 WeakPolarHBondContact CB-OH 3.43Å; P24-Y43 WeakPolarHBondContact CD-O 3.41Å; P24-Y43 HydrophobicContact CG-CD1 3.94Å; P24-Y43 HydrophobicContact CG-CD2 4.18Å; P24-Y43 HydrophobicContact CG-CE1 3.44Å; P24-Y43 VanDerWaalsContact CG-CE1 3.44Å; P24-Y43 HydrophobicContact CG-CE2 3.7Å; P24-Y43 HydrophobicContact CG-CG 4.29Å; L27-Y43 HydrophobicContact CD1-CD1 4.47Å; M38-Y43 HydrophobicContact CB-CG 4.42Å; M38-Y43 HydrophobicContact CE-CD1 3.27Å; M38-Y43 HydrophobicContact CE-CD2 3.86Å; M38-Y43 HydrophobicContact CE-CE1 3.42Å; M38-Y43 VanDerWaalsContact CE-CE1 3.42Å; M38-Y43 HydrophobicContact CE-CE2 4Å; M38-Y43 HydrophobicContact CE-CG 3.49Å; M38-Y43 VanDerWaalsContact CE-CG 3.49Å; M38-Y43 PolarHBondContact O-N 3.06Å; Y43-A45 VanDerWaalsContact C-N 3.34Å; Y43-L50 HydrophobicContact CE1-CD2 4.48Å
44W92.6Very high92.3Very high1 Ų145.8 Ų45.80%0.00421%0.208CC..THydrogen-bonded Turntrans-95.214.7175.453.984.8000112.6L27 F35 M38 A39 G42 K46 N47 L50 R51 V54 D230L27-W44 HydrophobicContact CD1-CE3 3.85Å; L27-W44 HydrophobicContact CD1-CZ3 3.92Å; F35-W44 AromaticContact CD1-CH2 3.81Å; F35-W44 HydrophobicContact CD1-CH2 3.81Å; F35-W44 HydrophobicContact CD1-CZ3 4.38Å; F35-W44 AromaticContact CE1-CH2 3.55Å; F35-W44 HydrophobicContact CE1-CH2 3.55Å; F35-W44 HydrophobicContact CE1-CZ2 4.27Å; F35-W44 HydrophobicContact CE1-CZ3 4.07Å; M38-W44 HydrophobicContact CB-CE3 4.48Å; M38-W44 HydrophobicContact CB-CH2 4.26Å; M38-W44 HydrophobicContact CB-CZ3 3.65Å; A39-W44 VanDerWaalsContact CA-CH2 3.45Å; A39-W44 HydrophobicContact CB-CH2 3.56Å; A39-W44 HydrophobicContact CB-CZ2 3.57Å; G42-W44 VanDerWaalsContact C-N 3.33Å; G42-W44 PolarHBondContact O-N 3.25Å; W44-K46 PolarHBondContact O-N 2.81Å; W44-K46 VanDerWaalsContact O-N 3.16Å; W44-N47 PolarHBondContact O-N 3.22Å; W44-L50 HydrophobicContact CB-CB 4.45Å; W44-L50 HydrophobicContact CB-CD2 3.76Å; W44-L50 HydrophobicContact CB-CG 3.85Å; W44-R51 PolarHBondContact O-NH1 3.25Å; W44-V54 HydrophobicContact CD2-CG1 4.15Å; W44-V54 HydrophobicContact CD2-CG2 4.17Å; W44-V54 HydrophobicContact CE3-CG1 4.48Å; W44-V54 HydrophobicContact CE3-CG2 4.24Å; W44-V54 HydrophobicContact CG-CG2 4.36Å; W44-V54 HydrophobicContact CH2-CG1 4.21Å; W44-V54 HydrophobicContact CZ2-CG1 3.87Å; W44-D230 HydrophobicContact CZ2-CB 4.49Å; W44-D230 VanDerWaalsContact NE1-CG 3.31Å; W44-D230 PolarHBondContact NE1-OD1 3.31Å
45A92.1Very high92.7Very high12 Ų1241.6 Ų41.610%0.09919%0.188CC..THydrogen-bonded Turntrans-63.9-30.9-168.100000113.1L18 G42 Y43 R51L18-A45 WeakPolarHBondContact CD2-O 3.46Å; G42-A45 WeakPolarHBondContact O-CB 3.44Å; G42-A45 PolarHBondContact O-N 3.33Å; Y43-A45 VanDerWaalsContact C-N 3.34Å; A45-R51 VanDerWaalsContact C-NH2 3.32Å; A45-R51 PolarHBondContact O-NH1 3.16Å; A45-R51 PolarHBondContact O-NH2 3.16Å
46K90.5Very high93.1Very high139 Ų13943.2 Ų43.260%0.60420%0.196SC*.THydrogen-bonded Turntrans-101.61.9-174.1-60.7-173.6177.5-172.70114.3S21 S22 W44S21-K46 WeakPolarHBondContact CA-O 3.37Å; S22-K46 PolarHBondContact N-O 3.41Å; S22-K46 CarbonylContact O-C 3.53Å; S22-K46 VanDerWaalsContact O-CB 3.3Å; S22-K46 WeakPolarHBondContact O-CB 3.29Å; S22-K46 WeakPolarHBondContact OG-CB 3.06Å; W44-K46 PolarHBondContact O-N 2.81Å; W44-K46 VanDerWaalsContact O-N 3.16Å
47N91.3Very high93.1Very high13 Ų1344.6 Ų44.67%0.0720%0.204CC..  trans-120.3106.3-180-174-28.5000109.6P24 W44 K49 L50 R51P24-N47 PolarHBondContact O-ND2 3.48Å; W44-N47 PolarHBondContact O-N 3.22Å; N47-K49 PolarHBondContact OD1-N 2.97Å; N47-K49 VanDerWaalsContact OD1-N 3.16Å; N47-L50 HydrophobicContact CB-CB 3.84Å; N47-L50 PolarHBondContact OD1-N 3.12Å; N47-R51 WeakPolarHBondContact O-CB 3.4Å; N47-R51 PolarHBondContact O-N 3.41Å
48H92.1Very high93.2Very high1 Ų140.1 Ų40.11%0.00518%0.183CC..Hα-helixtrans-61.1-47.4-178.2176-79.7000111.9Y6 W12 M15 R51 A52 H143 F144Y6-H48 PolarHBondContact O-CE1 3.4Å; Y6-H48 VanDerWaalsContact O-CE1 3.22Å; W12-H48 HydrophobicContact CH2-CB 4.28Å; W12-H48 AromaticContact CH2-CG 3.75Å; W12-H48 AromaticContact CH2-ND1 3.79Å; W12-H48 HydrophobicContact CZ3-CB 4.41Å; M15-H48 WeakPolarHBondContact CE-CD2 3.23Å; H48-R51 WeakPolarHBondContact O-CB 3.5Å; H48-R51 PolarHBondContact O-N 3.47Å; H48-A52 PolarHBondContact O-N 2.98Å; H48-H143 PolarHBondContact CE1-O 2.93Å; H48-H143 PolarHBondContact NE2-O 3.37Å; H48-F144 AromaticContact CD2-CD1 3.69Å; H48-F144 AromaticContact CD2-CE1 3.42Å; H48-F144 VanDerWaalsContact CD2-CE1 3.42Å; H48-F144 WeakPolarHBondContact CD2-CE1 3.44Å; H48-F144 AromaticContact NE2-CD1 3.47Å; H48-F144 WeakPolarHBondContact NE2-CD1 3.48Å; H48-F144 AromaticContact NE2-CE1 3.64Å
49K90.9Very high93.3Very high70 Ų7039.4 Ų39.430%0.30418%0.18SC..Hα-helixtrans-63-46.3179.6-179.7168.1-174.7156.70112E5 Y6 N47 R51 A52 Q53E5-K49 VanDerWaalsContact OE2-CE 3.27Å; E5-K49 WeakPolarHBondContact OE2-CE 3.47Å; E5-K49 IonicContact OE2-NZ 3.39Å; E5-K49 PolarHBondContact OE2-NZ 3.37Å; Y6-K49 HydrophobicContact CD2-CG 4.23Å; Y6-K49 HydrophobicContact CE2-CG 4.37Å; N47-K49 PolarHBondContact OD1-N 2.97Å; N47-K49 VanDerWaalsContact OD1-N 3.16Å; K49-R51 VanDerWaalsContact C-N 3.3Å; K49-R51 PolarHBondContact O-N 2.96Å; K49-A52 PolarHBondContact O-N 2.95Å; K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 2.98Å; K49-Q53 VanDerWaalsContact O-N 3.07Å
50L92.3Very high93.3Very high2 Ų243.8 Ų43.81%0.0120%0.199CC..Hα-helixtrans-62.2-41.2177.5179.761000110.9P24 L27 Y43 W44 N47 A52 Q53 V54P24-L50 HydrophobicContact CB-CD2 3.96Å; P24-L50 WeakPolarHBondContact O-CD2 3.33Å; L27-L50 HydrophobicContact CB-CD1 4.3Å; Y43-L50 HydrophobicContact CE1-CD2 4.48Å; W44-L50 HydrophobicContact CB-CB 4.45Å; W44-L50 HydrophobicContact CB-CD2 3.76Å; W44-L50 HydrophobicContact CB-CG 3.85Å; N47-L50 HydrophobicContact CB-CB 3.84Å; N47-L50 PolarHBondContact OD1-N 3.12Å; L50-A52 PolarHBondContact O-N 3.44Å; L50-Q53 PolarHBondContact O-N 3.31Å; L50-V54 HydrophobicContact CD1-CG2 4.34Å; L50-V54 HydrophobicContact CG-CG2 4.42Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.31Å
51R94Very high93.1Very high2 Ų243.5 Ų43.51%0.00821%0.209CC..Hα-helixtrans-60.6-44.9175.9178.8179.6-77.3120.6-25.1112.1W44 A45 N47 H48 K49 Q53 V54 Y55 F144 V226 D230W44-R51 PolarHBondContact O-NH1 3.25Å; A45-R51 VanDerWaalsContact C-NH2 3.32Å; A45-R51 PolarHBondContact O-NH1 3.16Å; A45-R51 PolarHBondContact O-NH2 3.16Å; N47-R51 WeakPolarHBondContact O-CB 3.4Å; N47-R51 PolarHBondContact O-N 3.41Å; H48-R51 WeakPolarHBondContact O-CB 3.5Å; H48-R51 PolarHBondContact O-N 3.47Å; K49-R51 VanDerWaalsContact C-N 3.3Å; K49-R51 PolarHBondContact O-N 2.96Å; R51-Q53 VanDerWaalsContact C-N 3.32Å; R51-Q53 PolarHBondContact O-N 3.48Å; R51-V54 PolarHBondContact O-N 3.07Å; R51-Y55 WeakPolarHBondContact CD-OH 3.44Å; R51-Y55 HydrophobicContact CG-CD1 4.03Å; R51-Y55 HydrophobicContact CG-CD2 4.37Å; R51-Y55 HydrophobicContact CG-CE1 3.54Å; R51-Y55 HydrophobicContact CG-CE2 3.93Å; R51-Y55 HydrophobicContact CG-CG 4.42Å; R51-Y55 VanDerWaalsContact CG-CZ 3.49Å; R51-Y55 WeakPolarHBondContact O-CD1 3.3Å; R51-Y55 PolarHBondContact O-N 3.43Å; R51-F144 HydrophobicContact CB-CE1 4.45Å; R51-F144 VanDerWaalsContact CD-CZ 3.49Å; R51-F144 HydrophobicContact CG-CD1 4.17Å; R51-F144 HydrophobicContact CG-CE1 4.05Å; R51-F144 HydrophobicContact CG-CZ 4.46Å; R51-V226 VanDerWaalsContact CZ-CG1 3.47Å; R51-V226 VanDerWaalsContact NE-CG1 3.31Å; R51-D230 IonicContact CZ-OD1 2.65Å; R51-D230 IonicContact CZ-OD2 3.53Å; R51-D230 IonicContact NE-OD1 3.67Å; R51-D230 PolarHBondContact NE-OD1 3.49Å; R51-D230 IonicContact NE-OD2 3.51Å; R51-D230 PolarHBondContact NE-OD2 3.28Å; R51-D230 IonicContact NH2-OD2 2.95Å; R51-D230 PolarHBondContact NH2-OD2 2.96Å; R51-D230 VanDerWaalsContact NH2-OD2 3.13Å
52A94.5Very high93Very high0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-58.5-44.3176.600000112Y6 H48 K49 L50 V54 Y55 Q56 F144Y6-A52 HydrophobicContact CD1-CB 3.67Å; Y6-A52 HydrophobicContact CD2-CB 3.98Å; Y6-A52 HydrophobicContact CE1-CB 4.07Å; Y6-A52 HydrophobicContact CE2-CB 4.37Å; Y6-A52 HydrophobicContact CG-CB 3.61Å; H48-A52 PolarHBondContact O-N 2.98Å; K49-A52 PolarHBondContact O-N 2.95Å; L50-A52 PolarHBondContact O-N 3.44Å; A52-V54 PolarHBondContact O-N 3.01Å; A52-Y55 PolarHBondContact O-N 3.44Å; A52-Q56 WeakPolarHBondContact O-CB 3.44Å; A52-Q56 PolarHBondContact O-N 2.93Å; A52-F144 HydrophobicContact CB-CB 3.98Å; A52-F144 HydrophobicContact CB-CD1 4.47Å; A52-F144 WeakPolarHBondContact CB-O 3.19Å
53Q93.2Very high92.8Very high72 Ų7239.3 Ų39.334%0.33619%0.19SC..Hα-helixtrans-62.3-42.1175.1-68.6173-15.800112.4Y6 K49 L50 R51 Q56 Q57Y6-Q53 HydrophobicContact CE2-CG 4.42Å; K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 2.98Å; K49-Q53 VanDerWaalsContact O-N 3.07Å; L50-Q53 PolarHBondContact O-N 3.31Å; R51-Q53 VanDerWaalsContact C-N 3.32Å; R51-Q53 PolarHBondContact O-N 3.48Å; Q53-Q56 PolarHBondContact O-N 2.91Å; Q53-Q57 WeakPolarHBondContact O-CB 3.47Å; Q53-Q57 PolarHBondContact O-N 3.19Å
54V94.1Very high92.5Very high1 Ų136 Ų361%0.00618%0.181CC..Hα-helixtrans-63.4-43.1176.2167.80000111.3L27 F35 W44 L50 R51 A52 Q57 L58L27-V54 HydrophobicContact CD1-CG2 3.9Å; L27-V54 HydrophobicContact CD2-CG2 4.38Å; L27-V54 HydrophobicContact CG-CG2 4.49Å; F35-V54 HydrophobicContact CE1-CG1 3.88Å; F35-V54 HydrophobicContact CZ-CG1 3.9Å; W44-V54 HydrophobicContact CD2-CG1 4.15Å; W44-V54 HydrophobicContact CD2-CG2 4.17Å; W44-V54 HydrophobicContact CE3-CG1 4.48Å; W44-V54 HydrophobicContact CE3-CG2 4.24Å; W44-V54 HydrophobicContact CG-CG2 4.36Å; W44-V54 HydrophobicContact CH2-CG1 4.21Å; W44-V54 HydrophobicContact CZ2-CG1 3.87Å; L50-V54 HydrophobicContact CD1-CG2 4.34Å; L50-V54 HydrophobicContact CG-CG2 4.42Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.31Å; R51-V54 PolarHBondContact O-N 3.07Å; A52-V54 PolarHBondContact O-N 3.01Å; V54-Q57 PolarHBondContact O-N 2.91Å; V54-L58 HydrophobicContact CG1-CD1 3.81Å; V54-L58 HydrophobicContact CG1-CG 4.29Å; V54-L58 WeakPolarHBondContact O-CB 3.49Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.44Å; V54-L58 PolarHBondContact O-N 3.21Å
55Y95.9Very high91.5Very high2 Ų244.3 Ų44.31%0.00821%0.212CC..Hα-helixtrans-63.6-45.6178.4-72.97000110.9R51 A52 Q57 L58 I59 F144 V226 L229 D230 L233R51-Y55 WeakPolarHBondContact CD-OH 3.44Å; R51-Y55 HydrophobicContact CG-CD1 4.03Å; R51-Y55 HydrophobicContact CG-CD2 4.37Å; R51-Y55 HydrophobicContact CG-CE1 3.54Å; R51-Y55 HydrophobicContact CG-CE2 3.93Å; R51-Y55 HydrophobicContact CG-CG 4.42Å; R51-Y55 VanDerWaalsContact CG-CZ 3.49Å; R51-Y55 WeakPolarHBondContact O-CD1 3.3Å; R51-Y55 PolarHBondContact O-N 3.43Å; A52-Y55 PolarHBondContact O-N 3.44Å; Y55-Q57 VanDerWaalsContact C-N 3.34Å; Y55-Q57 PolarHBondContact O-N 3.44Å; Y55-L58 PolarHBondContact O-N 2.79Å; Y55-I59 VanDerWaalsContact O-CB 3.31Å; Y55-I59 WeakPolarHBondContact O-CB 3.29Å; Y55-I59 WeakPolarHBondContact O-CD1 3.29Å; Y55-I59 WeakPolarHBondContact O-CG1 3.29Å; Y55-I59 PolarHBondContact O-N 2.97Å; Y55-F144 HydrophobicContact CD2-CB 4Å; Y55-F144 AromaticContact CD2-CD2 3.81Å; Y55-F144 HydrophobicContact CD2-CD2 3.81Å; Y55-F144 AromaticContact CD2-CG 3.98Å; Y55-F144 HydrophobicContact CD2-CG 3.98Å; Y55-F144 HydrophobicContact CE2-CB 4.47Å; Y55-F144 AromaticContact CE2-CD2 3.45Å; Y55-F144 HydrophobicContact CE2-CD2 3.45Å; Y55-F144 VanDerWaalsContact CE2-CD2 3.45Å; Y55-F144 AromaticContact CE2-CE2 3.78Å; Y55-F144 HydrophobicContact CE2-CE2 3.78Å; Y55-F144 AromaticContact CE2-CG 3.96Å; Y55-F144 HydrophobicContact CE2-CG 3.96Å; Y55-V226 PolarHBondContact OH-O 3.16Å; Y55-L229 HydrophobicContact CD2-CD2 4.36Å; Y55-L229 HydrophobicContact CE2-CD2 3.44Å; Y55-L229 VanDerWaalsContact CE2-CD2 3.44Å; Y55-L229 HydrophobicContact CE2-CG 3.88Å; Y55-D230 VanDerWaalsContact CE1-OD1 3.22Å; Y55-D230 WeakPolarHBondContact CE1-OD1 3.14Å; Y55-D230 PolarHBondContact OH-N 3.3Å; Y55-D230 PolarHBondContact OH-OD1 3.1Å; Y55-L233 HydrophobicContact CD1-CD1 3.43Å; Y55-L233 VanDerWaalsContact CD1-CD1 3.43Å; Y55-L233 HydrophobicContact CD2-CD1 3.99Å; Y55-L233 HydrophobicContact CE1-CD1 3.74Å; Y55-L233 HydrophobicContact CE2-CD1 4.25Å; Y55-L233 HydrophobicContact CG-CD1 3.56Å
56Q94.9Very high90.3Very high49 Ų4950.9 Ų50.923%0.22925%0.251CS..Hα-helixtrans-57.4-47.6174.4-177.6177.6-10.200111.5Y6 A52 Q53 K60 Q150Y6-Q56 PolarHBondContact OH-OE1 3.32Å; A52-Q56 WeakPolarHBondContact O-CB 3.44Å; A52-Q56 PolarHBondContact O-N 2.93Å; Q53-Q56 PolarHBondContact O-N 2.91Å; Q56-K60 HydrophobicContact CG-CD 4.17Å; Q56-K60 HydrophobicContact CG-CG 4.48Å; Q56-K60 VanDerWaalsContact O-CB 3.29Å; Q56-K60 WeakPolarHBondContact O-CB 3.47Å; Q56-K60 VanDerWaalsContact O-CG 3.29Å; Q56-K60 WeakPolarHBondContact O-CG 3.31Å; Q56-K60 PolarHBondContact O-N 3.26Å; Q56-Q150 VanDerWaalsContact OE1-NE2 3.11Å
57Q93.3Very high89.6Confident91 Ų9150.8 Ų50.843%0.42526%0.262SS..Hα-helixtrans-59.7-49.8177.8-176.1-178.1-3.800111.6Q53 V54 Y55 T61Q53-Q57 WeakPolarHBondContact O-CB 3.47Å; Q53-Q57 PolarHBondContact O-N 3.19Å; V54-Q57 PolarHBondContact O-N 2.91Å; Y55-Q57 VanDerWaalsContact C-N 3.34Å; Y55-Q57 PolarHBondContact O-N 3.44Å; Q57-T61 VanDerWaalsContact O-CG2 3.31Å; Q57-T61 WeakPolarHBondContact O-CG2 3.2Å; Q57-T61 PolarHBondContact O-N 3.34Å; Q57-T61 PolarHBondContact O-OG1 3.41Å
58L93.7Very high89.3Confident18 Ų1851.4 Ų51.49%0.09427%0.266CS..Hα-helixtrans-62.3-47.4-179.1-72.7172.1000111.8F35 V54 Y55 T61 I62 L233 V234F35-L58 HydrophobicContact CD1-CD2 4.12Å; F35-L58 HydrophobicContact CE1-CD1 3.88Å; F35-L58 HydrophobicContact CE1-CD2 3.61Å; F35-L58 HydrophobicContact CE1-CG 3.92Å; F35-L58 HydrophobicContact CZ-CD1 4.43Å; F35-L58 HydrophobicContact CZ-CD2 3.83Å; F35-L58 HydrophobicContact CZ-CG 4.05Å; V54-L58 HydrophobicContact CG1-CD1 3.81Å; V54-L58 HydrophobicContact CG1-CG 4.29Å; V54-L58 WeakPolarHBondContact O-CB 3.49Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.44Å; V54-L58 PolarHBondContact O-N 3.21Å; Y55-L58 PolarHBondContact O-N 2.79Å; L58-T61 PolarHBondContact O-N 3Å; L58-T61 PolarHBondContact O-OG1 3.38Å; L58-I62 PolarHBondContact O-N 3.45Å; L58-L233 HydrophobicContact CD1-CB 3.8Å; L58-V234 HydrophobicContact CD1-CG2 3.65Å; L58-V234 HydrophobicContact CD2-CG2 4.11Å
59I95.6Very high89.1Confident0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-70.5-37.4-174.8-65.2167.7000111Y55 T61 I62 L141 H154 R157 I158 L233Y55-I59 VanDerWaalsContact O-CB 3.31Å; Y55-I59 WeakPolarHBondContact O-CB 3.29Å; Y55-I59 WeakPolarHBondContact O-CD1 3.29Å; Y55-I59 WeakPolarHBondContact O-CG1 3.29Å; Y55-I59 PolarHBondContact O-N 2.97Å; I59-T61 PolarHBondContact O-N 3.14Å; I59-I62 HydrophobicContact CB-CD1 4.32Å; I59-I62 HydrophobicContact CG1-CD1 4.38Å; I59-I62 HydrophobicContact CG2-CD1 4.13Å; I59-I62 WeakPolarHBondContact O-CB 3.21Å; I59-I62 WeakPolarHBondContact O-CG1 3.47Å; I59-I62 PolarHBondContact O-N 3.17Å; I59-I62 VanDerWaalsContact O-N 3.1Å; I59-L141 HydrophobicContact CD1-CD2 3.68Å; I59-H154 HydrophobicContact CD1-CB 4Å; I59-H154 HydrophobicContact CG2-CB 4.01Å; I59-R157 HydrophobicContact CG2-CB 3.92Å; I59-R157 PolarHBondContact O-NE 3.19Å; I59-I158 HydrophobicContact CD1-CD1 4.2Å; I59-I158 HydrophobicContact CG1-CD1 4.42Å; I59-I158 HydrophobicContact CG2-CG1 4.44Å; I59-L233 HydrophobicContact CD1-CD1 4.25Å; I59-L233 HydrophobicContact CD1-CD2 4.14Å; I59-L233 HydrophobicContact CG1-CD1 4.49Å; I59-L233 HydrophobicContact CG1-CD2 4Å
60K93.1Very high89.2Confident92 Ų9252.1 Ų52.140%0.427%0.274SS..Hα-helixtrans-64.2-24.9173.9-74.2-165.8178.1-133.10113.4Q56 E153 R157Q56-K60 HydrophobicContact CG-CD 4.17Å; Q56-K60 HydrophobicContact CG-CG 4.48Å; Q56-K60 VanDerWaalsContact O-CB 3.29Å; Q56-K60 WeakPolarHBondContact O-CB 3.47Å; Q56-K60 VanDerWaalsContact O-CG 3.29Å; Q56-K60 WeakPolarHBondContact O-CG 3.31Å; Q56-K60 PolarHBondContact O-N 3.26Å; K60-E153 WeakPolarHBondContact CE-OE1 3.43Å; K60-E153 IonicContact NZ-OE1 2.64Å; K60-E153 PolarHBondContact NZ-OE1 2.94Å; K60-E153 IonicContact NZ-OE2 2.79Å; K60-R157 PolarHBondContact O-NH2 3.11Å
61T91.6Very high89.3Confident101 Ų10152.4 Ų52.462%0.6228%0.277SS*.THydrogen-bonded Turntrans-84.5-6175.263.50000114.5Q57 L58 I59 P63Q57-T61 VanDerWaalsContact O-CG2 3.31Å; Q57-T61 WeakPolarHBondContact O-CG2 3.2Å; Q57-T61 PolarHBondContact O-N 3.34Å; Q57-T61 PolarHBondContact O-OG1 3.41Å; L58-T61 PolarHBondContact O-N 3Å; L58-T61 PolarHBondContact O-OG1 3.38Å; I59-T61 PolarHBondContact O-N 3.14Å; T61-P63 WeakPolarHBondContact O-CD 3.37Å
62I91.9Very high89.2Confident12 Ų1257.1 Ų57.16%0.06230%0.299CS..SBendtrans-62.1123.7176.8-65.2172.8000108.7L58 I59 C64 R157 I158 C161 L168L58-I62 PolarHBondContact O-N 3.45Å; I59-I62 HydrophobicContact CB-CD1 4.32Å; I59-I62 HydrophobicContact CG1-CD1 4.38Å; I59-I62 HydrophobicContact CG2-CD1 4.13Å; I59-I62 WeakPolarHBondContact O-CB 3.21Å; I59-I62 WeakPolarHBondContact O-CG1 3.47Å; I59-I62 PolarHBondContact O-N 3.17Å; I59-I62 VanDerWaalsContact O-N 3.1Å; I62-C64 PolarHBondContact O-N 3.09Å; I62-C64 PolarHBondContact O-SG 3.3Å; I62-R157 PolarHBondContact O-NH2 3.34Å; I62-I158 HydrophobicContact CD1-CG1 3.88Å; I62-C161 HydrophobicContact CG2-CB 3.69Å; I62-L168 HydrophobicContact CD1-CD1 3.79Å; I62-L168 HydrophobicContact CG2-CD1 4.49Å
63P88.9Confident89Confident51 Ų5159.1 Ų59.133%0.33131%0.311SS..  trans-66.3125.9174.329.5-35.8000109.3T61 C161 N162 E163T61-P63 WeakPolarHBondContact O-CD 3.37Å; P63-C161 WeakPolarHBondContact O-CA 3.3Å; P63-N162 PolarHBondContact O-N 2.89Å; P63-N162 VanDerWaalsContact O-N 3.13Å; P63-N162 PolarHBondContact O-OD1 3.19Å; P63-E163 HydrophobicContact CG-CB 3.69Å; P63-E163 HydrophobicContact CG-CG 4.39Å
64C85.7Confident89Confident26 Ų2656 Ų5618%0.17630%0.296CS..BIsolated β-bridgetrans-126.3169.5-177.9-59.10000109.7I62 T68 A160 N162I62-C64 PolarHBondContact O-N 3.09Å; I62-C64 PolarHBondContact O-SG 3.3Å; C64-T68 HydrophobicContact CB-CG2 4.32Å; C64-T68 VanDerWaalsContact CB-OG1 3.27Å; C64-T68 WeakPolarHBondContact CB-OG1 3.49Å; C64-A160 HydrophobicContact CB-CB 4.17Å; C64-N162 VanDerWaalsContact C-ND2 3.25Å; C64-N162 PolarHBondContact O-ND2 3.35Å
65R71.6Confident88.9Confident176 Ų17660.4 Ų60.466%0.66431%0.313SS*.  trans-68.4153.9170.8-55.6-179.1-177.3-161.21.8110V67 T68 N162R65-V67 PolarHBondContact O-N 3.17Å; R65-T68 PolarHBondContact O-OG1 3.33Å; R65-N162 HydrophobicContact CG-CB 4.17Å; R65-N162 PolarHBondContact N-ND2 3.42Å
66T66.3Low88.5Confident151 Ų15165.2 Ų65.293%0.92634%0.339SS*.SBendtrans-52.8-34-174.5-46.70000113.7
67V77.3Confident88.1Confident136 Ų13665.5 Ų65.582%0.82434%0.341SS*.SBendtrans-111.278.2-180-1690000109.1R65R65-V67 PolarHBondContact O-N 3.17Å
68T84.8Confident87.6Confident26 Ų2663.6 Ų63.616%0.1633%0.334CS..  trans-106.9125.9174.3-60.70000108.6C64 R65 D70 R157 A160C64-T68 HydrophobicContact CB-CG2 4.32Å; C64-T68 VanDerWaalsContact CB-OG1 3.27Å; C64-T68 WeakPolarHBondContact CB-OG1 3.49Å; R65-T68 PolarHBondContact O-OG1 3.33Å; T68-D70 PolarHBondContact O-N 2.94Å; T68-R157 HydrophobicContact CG2-CG 4.38Å; T68-A160 HydrophobicContact CG2-CB 3.52Å
69P88.6Confident86.7Confident17 Ų1765.1 Ų65.111%0.1135%0.353CS..  trans-53.4135.1177.7-25.132.2000112.1V73 Q124 F125 F152 S156P69-V73 HydrophobicContact CB-CB 4.36Å; P69-V73 HydrophobicContact CB-CG1 4.2Å; P69-Q124 HydrophobicContact CG-CB 3.88Å; P69-Q124 HydrophobicContact CG-CG 4.34Å; P69-F125 HydrophobicContact CG-CE2 4.1Å; P69-F125 HydrophobicContact CG-CZ 4.25Å; P69-F152 HydrophobicContact CB-CE1 3.64Å; P69-F152 HydrophobicContact CB-CZ 3.67Å; P69-S156 WeakPolarHBondContact O-CB 3.35Å
70D91.3Very high85Confident70 Ų7071.6 Ų71.637%0.37439%0.388SS..  trans-116.3-171.518070.812.9000111.9T68 E72 V73 Y74 F152 E153T68-D70 PolarHBondContact O-N 2.94Å; D70-E72 VanDerWaalsContact C-N 3.28Å; D70-E72 PolarHBondContact O-N 2.81Å; D70-E72 WeakPolarHBondContact OD1-CB 3.41Å; D70-E72 PolarHBondContact OD1-N 2.6Å; D70-V73 PolarHBondContact O-N 3.32Å; D70-V73 PolarHBondContact OD1-N 3.47Å; D70-V73 VanDerWaalsContact OD1-N 3.15Å; D70-Y74 PolarHBondContact O-N 2.93Å; D70-F152 WeakPolarHBondContact O-CD1 3.4Å; D70-F152 WeakPolarHBondContact O-CE1 3.43Å; D70-E153 HydrophobicContact CB-CG 4.35Å
71A94.4Very high83.4Confident7 Ų769.4 Ų69.46%0.05839%0.387CS..Hα-helixtrans-66-27.8-178.700000113.1R75 A149 E153A71-R75 VanDerWaalsContact C-NH2 3.32Å; A71-R75 VanDerWaalsContact O-CZ 3.3Å; A71-R75 PolarHBondContact O-N 2.97Å; A71-R75 PolarHBondContact O-NH2 2.82Å; A71-A149 HydrophobicContact CB-CB 3.95Å; A71-A149 WeakPolarHBondContact CB-O 3.47Å; A71-E153 HydrophobicContact CB-CB 4.15Å
72E92.9Very high81.6Confident101 Ų10168.3 Ų68.347%0.47239%0.388SS..Hα-helixtrans-70-42.4175.8-62.2-57.4152.800110.8D70 Y74 R75 D76D70-E72 VanDerWaalsContact C-N 3.28Å; D70-E72 PolarHBondContact O-N 2.81Å; D70-E72 WeakPolarHBondContact OD1-CB 3.41Å; D70-E72 PolarHBondContact OD1-N 2.6Å; E72-Y74 PolarHBondContact O-N 3.21Å; E72-R75 WeakPolarHBondContact O-CA 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.43Å; E72-R75 PolarHBondContact O-N 3.33Å; E72-R75 IonicContact OE1-CZ 3.44Å; E72-R75 IonicContact OE1-NE 2.65Å; E72-R75 PolarHBondContact OE1-NE 3.3Å; E72-R75 IonicContact OE1-NH2 3.42Å; E72-R75 PolarHBondContact OE1-NH2 3Å; E72-R75 IonicContact OE2-CZ 3.46Å; E72-R75 IonicContact OE2-NE 3.48Å; E72-R75 PolarHBondContact OE2-NE 3.21Å; E72-R75 IonicContact OE2-NH2 3.49Å; E72-R75 PolarHBondContact OE2-NH2 3.12Å; E72-D76 PolarHBondContact O-N 3.49Å
73V90.3Very high79.7Confident43 Ų4372.3 Ų72.326%0.26142%0.423SS..Hα-helixtrans-54.2-41.8175.3176.80000111.4P69 D70 D76 I77P69-V73 HydrophobicContact CB-CB 4.36Å; P69-V73 HydrophobicContact CB-CG1 4.2Å; D70-V73 PolarHBondContact O-N 3.32Å; D70-V73 PolarHBondContact OD1-N 3.47Å; D70-V73 VanDerWaalsContact OD1-N 3.15Å; V73-D76 PolarHBondContact O-N 3.24Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 WeakPolarHBondContact O-CD1 3.39Å; V73-I77 VanDerWaalsContact O-CG1 3.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 3.4Å; V73-I77 VanDerWaalsContact O-N 3.11Å
74Y92.1Very high78Confident6 Ų677.8 Ų77.82%0.02444%0.442CS..Hα-helixtrans-63.2-43.8175.2-172.5-95.7000112.9D70 E72 D76 I77 I78 I117 C120 E148 A149 F152D70-Y74 PolarHBondContact O-N 2.93Å; E72-Y74 PolarHBondContact O-N 3.21Å; Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 3.41Å; Y74-I77 PolarHBondContact O-N 2.75Å; Y74-I78 HydrophobicContact CD1-CG1 4.04Å; Y74-I78 HydrophobicContact CD2-CG1 4.4Å; Y74-I78 HydrophobicContact CE1-CB 4.35Å; Y74-I78 HydrophobicContact CE1-CG1 3.54Å; Y74-I78 HydrophobicContact CE2-CD1 4.4Å; Y74-I78 HydrophobicContact CE2-CG1 3.94Å; Y74-I78 HydrophobicContact CG-CG1 4.45Å; Y74-I78 VanDerWaalsContact CZ-CG1 3.49Å; Y74-I78 WeakPolarHBondContact O-CB 3.36Å; Y74-I78 WeakPolarHBondContact O-CG1 3.32Å; Y74-I78 PolarHBondContact O-N 3.43Å; Y74-I117 HydrophobicContact CE2-CG1 4.12Å; Y74-C120 HydrophobicContact CD2-CB 3.98Å; Y74-C120 HydrophobicContact CE2-CB 3.81Å; Y74-E148 HydrophobicContact CD1-CB 4.4Å; Y74-E148 HydrophobicContact CE1-CB 3.46Å; Y74-E148 VanDerWaalsContact CE1-CB 3.46Å; Y74-E148 PolarHBondContact OH-OE2 3.27Å; Y74-A149 HydrophobicContact CD1-CB 3.75Å; Y74-A149 HydrophobicContact CG-CB 4.32Å; Y74-F152 HydrophobicContact CD2-CB 3.51Å; Y74-F152 HydrophobicContact CD2-CD1 4.09Å; Y74-F152 AromaticContact CD2-CD2 3.61Å; Y74-F152 HydrophobicContact CD2-CD2 3.61Å; Y74-F152 HydrophobicContact CD2-CE2 4.37Å; Y74-F152 AromaticContact CD2-CG 3.44Å; Y74-F152 HydrophobicContact CD2-CG 3.44Å; Y74-F152 VanDerWaalsContact CD2-CG 3.44Å; Y74-F152 HydrophobicContact CE2-CB 4.14Å; Y74-F152 HydrophobicContact CE2-CD2 4.28Å; Y74-F152 HydrophobicContact CE2-CG 4.34Å; Y74-F152 HydrophobicContact CG-CB 3.85Å; Y74-F152 HydrophobicContact CG-CD1 4.22Å; Y74-F152 AromaticContact CG-CG 3.94Å; Y74-F152 HydrophobicContact CG-CG 3.94Å
75R92.6Very high76.2Confident94 Ų9486.5 Ų86.536%0.35548%0.476SS..Hα-helixtrans-63-39.1179.5-79.1-175.6-80.9-82.5-3.8111.5A71 E72 G79 A149A71-R75 VanDerWaalsContact C-NH2 3.32Å; A71-R75 VanDerWaalsContact O-CZ 3.3Å; A71-R75 PolarHBondContact O-N 2.97Å; A71-R75 PolarHBondContact O-NH2 2.82Å; E72-R75 WeakPolarHBondContact O-CA 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.43Å; E72-R75 PolarHBondContact O-N 3.33Å; E72-R75 IonicContact OE1-CZ 3.44Å; E72-R75 IonicContact OE1-NE 2.65Å; E72-R75 PolarHBondContact OE1-NE 3.3Å; E72-R75 IonicContact OE1-NH2 3.42Å; E72-R75 PolarHBondContact OE1-NH2 3Å; E72-R75 IonicContact OE2-CZ 3.46Å; E72-R75 IonicContact OE2-NE 3.48Å; E72-R75 PolarHBondContact OE2-NE 3.21Å; E72-R75 IonicContact OE2-NH2 3.49Å; E72-R75 PolarHBondContact OE2-NH2 3.12Å; R75-G79 WeakPolarHBondContact O-CA 3.21Å; R75-G79 PolarHBondContact O-N 3.18Å; R75-A149 HydrophobicContact CG-CB 4.09Å; R75-A149 VanDerWaalsContact NH1-CB 3.32Å
76D88.4Confident75.5Confident102 Ų10283.3 Ų83.355%0.54548%0.478SS..Hα-helixtrans-64.6-50176.8-65.5-20.8000110.7E72 V73 Y74 I78 G79 D80E72-D76 PolarHBondContact O-N 3.49Å; V73-D76 PolarHBondContact O-N 3.24Å; Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 3.41Å; D76-I78 PolarHBondContact O-N 2.84Å; D76-G79 PolarHBondContact O-N 3.44Å; D76-D80 PolarHBondContact O-N 3.33Å; D76-D80 VanDerWaalsContact O-N 3.07Å
77I85.4Confident75Confident56 Ų5679.8 Ų79.829%0.28746%0.46SS..Hα-helixtrans-60.2-44.6-179.9-66.7164.9000111.7V73 Y74 A81 C120 Q124V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 WeakPolarHBondContact O-CD1 3.39Å; V73-I77 VanDerWaalsContact O-CG1 3.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 3.4Å; V73-I77 VanDerWaalsContact O-N 3.11Å; Y74-I77 PolarHBondContact O-N 2.75Å; I77-A81 WeakPolarHBondContact O-CB 3.42Å; I77-A81 PolarHBondContact O-N 3.06Å; I77-C120 WeakPolarHBondContact CD1-SG 3.27Å; I77-Q124 HydrophobicContact CD1-CG 4.1Å
78I83.9Confident74.2Confident51 Ų5179.7 Ų79.726%0.26247%0.466SS..Hα-helixtrans-78.2-34.1-179.1-65.3-59.9000112Y74 D76 D80 A81 A82Y74-I78 HydrophobicContact CD1-CG1 4.04Å; Y74-I78 HydrophobicContact CD2-CG1 4.4Å; Y74-I78 HydrophobicContact CE1-CB 4.35Å; Y74-I78 HydrophobicContact CE1-CG1 3.54Å; Y74-I78 HydrophobicContact CE2-CD1 4.4Å; Y74-I78 HydrophobicContact CE2-CG1 3.94Å; Y74-I78 HydrophobicContact CG-CG1 4.45Å; Y74-I78 VanDerWaalsContact CZ-CG1 3.49Å; Y74-I78 WeakPolarHBondContact O-CB 3.36Å; Y74-I78 WeakPolarHBondContact O-CG1 3.32Å; Y74-I78 PolarHBondContact O-N 3.43Å; D76-I78 PolarHBondContact O-N 2.84Å; I78-D80 VanDerWaalsContact C-N 3.27Å; I78-D80 PolarHBondContact O-N 2.97Å; I78-A81 CarbonylContact O-C 3.45Å; I78-A81 PolarHBondContact O-N 3.22Å; I78-A81 VanDerWaalsContact O-N 3.08Å; I78-A82 WeakPolarHBondContact O-CB 3.38Å; I78-A82 PolarHBondContact O-N 3.43Å
79G74.3Confident73.6Confident49 Ų4985.2 Ų85.251%0.50549%0.489SS..Hα-helixtrans-57.4-43.2174.400000111.5R75 D76R75-G79 WeakPolarHBondContact O-CA 3.21Å; R75-G79 PolarHBondContact O-N 3.18Å; D76-G79 PolarHBondContact O-N 3.44Å
80D60.5Low73.4Confident136 Ų13686.3 Ų86.373%0.72749%0.494SS*.Hα-helixtrans-69.2-32.3174.2-71.4-17.4000112.7D76 I78D76-D80 PolarHBondContact O-N 3.33Å; D76-D80 VanDerWaalsContact O-N 3.07Å; I78-D80 VanDerWaalsContact C-N 3.27Å; I78-D80 PolarHBondContact O-N 2.97Å
81A59.3Low73.3Confident47 Ų4786.9 Ų86.939%0.38850%0.501SS..Hα-helixtrans-79.6-25.517900000114.1I77 I78 A83 K84I77-A81 WeakPolarHBondContact O-CB 3.42Å; I77-A81 PolarHBondContact O-N 3.06Å; I78-A81 CarbonylContact O-C 3.45Å; I78-A81 PolarHBondContact O-N 3.22Å; I78-A81 VanDerWaalsContact O-N 3.08Å; A81-A83 PolarHBondContact O-N 3.23Å; A81-K84 WeakPolarHBondContact O-CB 3.47Å; A81-K84 PolarHBondContact O-N 2.9Å
82A53.2Low73.2Confident78 Ų7888.7 Ų88.765%0.64551%0.51SS*.THydrogen-bonded Turntrans-65.2-16.8-178.900000113.5I78 K84I78-A82 WeakPolarHBondContact O-CB 3.38Å; I78-A82 PolarHBondContact O-N 3.43Å; A82-K84 PolarHBondContact O-N 3.33Å
83A52.3Low73Confident95 Ų9584.8 Ų84.879%0.78549%0.493SS*.THydrogen-bonded Turntrans-67.2-14.7168.300000113.2A81A81-A83 PolarHBondContact O-N 3.23Å
84K53.7Low72.9Confident167 Ų16790.5 Ų90.573%0.72652%0.517SS*.SBendtrans-109.3128176.9-63.6176.9-178.8173.60109.2A81 A82A81-K84 WeakPolarHBondContact O-CB 3.47Å; A81-K84 PolarHBondContact O-N 2.9Å; A82-K84 PolarHBondContact O-N 3.33Å
85K48Very low72.6Confident208 Ų20891.4 Ų91.490%0.90452%0.521SS*.PPolyproline II helixtrans-53.2126.9177.2-91-179.4176.1176.80109.9S87K85-S87 PolarHBondContact O-N 3.2Å
86P55.2Low72.7Confident109 Ų10987 Ų8771%0.70851%0.505SS*.PPolyproline II helixtrans-65.7124.9178.923.9-30.7000110.1
87S56.7Low72.6Confident77 Ų7784 Ų8454%0.53849%0.488SS..PPolyproline II helixtrans-55.5138.7166.2160.90000109.8K85 H89K85-S87 PolarHBondContact O-N 3.2Å; S87-H89 PolarHBondContact O-N 3.48Å; S87-H89 PolarHBondContact OG-N 3.29Å; S87-H89 VanDerWaalsContact OG-N 3.1Å; S87-H89 PolarHBondContact OG-O 2.95Å
88S59.6Low72.8Confident135 Ų13584.6 Ų84.694%0.94451%0.509SS*.SBendtrans-68.5-12.7175.554.40000113.6
89H73.8Confident73.2Confident142 Ų14283.4 Ų83.466%0.65750%0.503SS*.  trans-132.7105.7179.4-169.8-88.1000110.4S87S87-H89 PolarHBondContact O-N 3.48Å; S87-H89 PolarHBondContact OG-N 3.29Å; S87-H89 VanDerWaalsContact OG-N 3.1Å; S87-H89 PolarHBondContact OG-O 2.95Å
90I83Confident74.1Confident39 Ų3984.9 Ų84.920%0.250%0.504CS..  trans-99.1108.9175.8-57.5174.4000107.1H115 R116 N119I90-H115 HydrophobicContact CB-CB 4.11Å; I90-H115 HydrophobicContact CG2-CB 4.13Å; I90-H115 PolarHBondContact O-ND1 3.16Å; I90-R116 HydrophobicContact CD1-CG 3.44Å; I90-R116 VanDerWaalsContact CD1-CG 3.44Å; I90-N119 VanDerWaalsContact CG2-ND2 3.31Å; I90-N119 WeakPolarHBondContact CG2-ND2 3.24Å
91P89.2Confident75.8Confident83 Ų8379 Ų7954%0.53947%0.473SS..PPolyproline II helixtrans-65.1153.5177.128.5-33.9000110.9N119P91-N119 PolarHBondContact O-ND2 3.02Å; P91-N119 PolarHBondContact O-OD1 3.36Å
92L92.6Very high77.4Confident44 Ų4478.1 Ų78.123%0.2346%0.463CS..PPolyproline II helixtrans-84.5147.7172.3-69.6170.2000110.3V96 V101 H115 I118L92-V96 HydrophobicContact CB-CG2 3.83Å; L92-V96 HydrophobicContact CD1-CG2 4.19Å; L92-V101 HydrophobicContact CD1-CG2 4.27Å; L92-V101 HydrophobicContact CD2-CG2 4.2Å; L92-H115 HydrophobicContact CD2-CB 4.39Å; L92-I118 HydrophobicContact CD2-CB 4.3Å; L92-I118 HydrophobicContact CD2-CD1 3.79Å; L92-I118 HydrophobicContact CD2-CG2 4.14Å
93P89.4Confident79.3Confident19 Ų1978.7 Ų78.712%0.12345%0.448CS..PPolyproline II helixtrans-59.3149.3174.7-2333.4000112.8F95 V96 I118 A122P93-F95 HydrophobicContact CB-CD1 3.73Å; P93-F95 HydrophobicContact CB-CE1 3.38Å; P93-F95 HydrophobicContact CB-CE2 4.2Å; P93-F95 HydrophobicContact CB-CG 4.28Å; P93-F95 HydrophobicContact CB-CZ 3.63Å; P93-F95 HydrophobicContact CG-CE1 3.93Å; P93-F95 HydrophobicContact CG-CE2 4.5Å; P93-F95 HydrophobicContact CG-CZ 3.79Å; P93-F95 PolarHBondContact O-N 3.39Å; P93-V96 WeakPolarHBondContact O-CG2 3.36Å; P93-V96 PolarHBondContact O-N 3.31Å; P93-I118 HydrophobicContact CG-CG2 3.9Å; P93-A122 HydrophobicContact CB-CB 4.17Å; P93-A122 HydrophobicContact CG-CB 3.73Å
94E87.4Confident81.3Confident164 Ų16475.9 Ų75.977%0.76642%0.418SS*.G310 helixtrans-61.4-31-175.7-63.5-168.3160.800113.9V96 D97E94-V96 PolarHBondContact O-N 3.05Å; E94-D97 PolarHBondContact O-N 3.46Å
95F86.9Confident83.3Confident24 Ų2468.1 Ų68.111%0.10539%0.385CS..G310 helixtrans-62.2-16.5-179.463.3-115.3000113.4P93 D97 I118 A122 I128 H130 C131 L134P93-F95 HydrophobicContact CB-CD1 3.73Å; P93-F95 HydrophobicContact CB-CE1 3.38Å; P93-F95 HydrophobicContact CB-CE2 4.2Å; P93-F95 HydrophobicContact CB-CG 4.28Å; P93-F95 HydrophobicContact CB-CZ 3.63Å; P93-F95 HydrophobicContact CG-CE1 3.93Å; P93-F95 HydrophobicContact CG-CE2 4.5Å; P93-F95 HydrophobicContact CG-CZ 3.79Å; P93-F95 PolarHBondContact O-N 3.39Å; F95-D97 PolarHBondContact O-N 3.02Å; F95-I118 HydrophobicContact CZ-CG2 4.5Å; F95-A122 HydrophobicContact CE1-CB 3.57Å; F95-A122 HydrophobicContact CZ-CB 3.96Å; F95-I128 HydrophobicContact CB-CG2 4.2Å; F95-I128 HydrophobicContact CD1-CG2 4.18Å; F95-I128 HydrophobicContact CD2-CG2 3.82Å; F95-I128 HydrophobicContact CE2-CG2 4.24Å; F95-I128 HydrophobicContact CG-CG2 3.82Å; F95-H130 CarbonylContact O-C 3.22Å; F95-H130 WeakPolarHBondContact O-CA 3.38Å; F95-C131 HydrophobicContact CD2-CB 4.2Å; F95-C131 CarbonylContact O-C 3.56Å; F95-C131 PolarHBondContact O-N 2.97Å; F95-L134 HydrophobicContact CE2-CD2 3.66Å; F95-L134 HydrophobicContact CZ-CD2 4.18Å
96V93.4Very high85.6Confident2 Ų258.2 Ų58.21%0.01234%0.341CS..G310 helixtrans-79.7-3.6174.2-45.30000112.8L92 P93 E94 G98 N99 I118 P135L92-V96 HydrophobicContact CB-CG2 3.83Å; L92-V96 HydrophobicContact CD1-CG2 4.19Å; P93-V96 WeakPolarHBondContact O-CG2 3.36Å; P93-V96 PolarHBondContact O-N 3.31Å; E94-V96 PolarHBondContact O-N 3.05Å; V96-G98 VanDerWaalsContact C-N 3.28Å; V96-G98 PolarHBondContact O-N 2.82Å; V96-N99 WeakPolarHBondContact O-CB 3.37Å; V96-N99 PolarHBondContact O-N 2.87Å; V96-N99 PolarHBondContact O-ND2 3.35Å; V96-I118 HydrophobicContact CG1-CG2 4.23Å; V96-P135 HydrophobicContact CB-CG 3.69Å; V96-P135 HydrophobicContact CG1-CG 3.86Å; V96-P135 HydrophobicContact CG2-CG 4.1Å
97D87.9Confident87.5Confident38 Ų3856.4 Ų56.420%0.20332%0.322CS..THydrogen-bonded Turntrans56.637173.8-16537.5000114.4E94 F95 N99 H130 K326 K328E94-D97 PolarHBondContact O-N 3.46Å; F95-D97 PolarHBondContact O-N 3.02Å; D97-N99 PolarHBondContact O-N 3.33Å; D97-H130 IonicContact OD2-CE1 3.86Å; D97-K326 IonicContact OD1-NZ 3.72Å; D97-K326 PolarHBondContact OD1-NZ 3.11Å; D97-K326 IonicContact OD2-NZ 3.4Å; D97-K326 PolarHBondContact OD2-NZ 3.33Å; D97-K328 IonicContact OD1-NZ 2.94Å; D97-K328 PolarHBondContact OD1-NZ 2.83Å
98G88.5Confident89.1Confident69 Ų6957.2 Ų57.271%0.71132%0.324SS*.THydrogen-bonded Turntrans73.28.9-18000000114.6V96 P100V96-G98 VanDerWaalsContact C-N 3.28Å; V96-G98 PolarHBondContact O-N 2.82Å; G98-P100 WeakPolarHBondContact O-CD 3.44Å
99N92.1Very high90.5Very high27 Ų2756.5 Ų56.514%0.14431%0.306CS..  trans-69.6122.6173-73.9-88.1000109.8V96 D97 P132 P135V96-N99 WeakPolarHBondContact O-CB 3.37Å; V96-N99 PolarHBondContact O-N 2.87Å; V96-N99 PolarHBondContact O-ND2 3.35Å; D97-N99 PolarHBondContact O-N 3.33Å; N99-P132 WeakPolarHBondContact CB-O 3.39Å; N99-P132 VanDerWaalsContact ND2-CB 3.25Å; N99-P132 WeakPolarHBondContact ND2-CB 3.35Å; N99-P135 HydrophobicContact CB-CG 4.37Å; N99-P135 WeakPolarHBondContact O-CG 3.21Å
100P93.7Very high91.4Very high80 Ų8049.9 Ų49.952%0.51928%0.276SS..  trans-75158-179.931.8-35.3000110.8G98 P102G98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-P102 WeakPolarHBondContact O-CD 3.49Å
101V95.6Very high91.9Very high13 Ų1349.6 Ų49.68%0.07928%0.275CS..  trans-68.7114.7166.2177.30000108.4L92 R103 V111 A114 I118 P135 A139L92-V101 HydrophobicContact CD1-CG2 4.27Å; L92-V101 HydrophobicContact CD2-CG2 4.2Å; V101-R103 PolarHBondContact O-N 2.94Å; V101-V111 HydrophobicContact CB-CG1 4.13Å; V101-V111 HydrophobicContact CG1-CG1 4.18Å; V101-A114 HydrophobicContact CG1-CB 3.66Å; V101-A114 HydrophobicContact CG2-CB 4.16Å; V101-I118 HydrophobicContact CG2-CD1 3.79Å; V101-P135 HydrophobicContact CG2-CB 3.95Å; V101-A139 HydrophobicContact CG1-CB 3.86Å
102P94.3Very high92.1Very high27 Ų2747.5 Ų47.518%0.17527%0.265CS..  trans-68.6131.9176-12.227.9000109.4P100 Y104 A136 A139P100-P102 WeakPolarHBondContact O-CD 3.49Å; P102-Y104 HydrophobicContact CB-CD2 4.05Å; P102-Y104 HydrophobicContact CB-CE1 4.27Å; P102-Y104 HydrophobicContact CB-CE2 3.59Å; P102-Y104 HydrophobicContact CG-CE2 4.02Å; P102-A136 HydrophobicContact CG-CB 3.79Å; P102-A139 VanDerWaalsContact O-CB 3.28Å; P102-A139 WeakPolarHBondContact O-CB 3.4Å
103R93.1Very high92.2Very high90 Ų9045.7 Ų45.734%0.3426%0.256SS..  trans-69.9-38.6-178-175.6175.9170.3164.9-5.1112.8D11 V101 C105 L106 V111D11-R103 IonicContact OD2-NH2 2.72Å; V101-R103 PolarHBondContact O-N 2.94Å; R103-C105 PolarHBondContact O-N 3.48Å; R103-C105 VanDerWaalsContact O-N 3.12Å; R103-L106 HydrophobicContact CG-CB 4.33Å; R103-L106 WeakPolarHBondContact CG-O 3.42Å; R103-L106 PolarHBondContact NE-O 3.48Å; R103-L106 PolarHBondContact NH2-O 3.42Å; R103-L106 WeakPolarHBondContact O-CB 3.4Å; R103-L106 WeakPolarHBondContact O-CG 3.27Å; R103-L106 PolarHBondContact O-N 3.4Å; R103-V111 HydrophobicContact CB-CG2 4.42Å; R103-V111 HydrophobicContact CG-CG2 4.21Å
104Y94.2Very high92.5Very high36 Ų3644.8 Ų44.814%0.14125%0.251CS..THydrogen-bonded Turntrans44.6-118.2-168.7-59.7-61.7000111.4Q14 P102 A139 L140 H143 L217 G218 F222Q14-Y104 PolarHBondContact OE1-O 3.26Å; P102-Y104 HydrophobicContact CB-CD2 4.05Å; P102-Y104 HydrophobicContact CB-CE1 4.27Å; P102-Y104 HydrophobicContact CB-CE2 3.59Å; P102-Y104 HydrophobicContact CG-CE2 4.02Å; Y104-A139 HydrophobicContact CD2-CB 4.28Å; Y104-A139 HydrophobicContact CE2-CB 4.38Å; Y104-L140 HydrophobicContact CD2-CD2 3.98Å; Y104-L140 HydrophobicContact CD2-CG 4.37Å; Y104-L140 HydrophobicContact CE2-CD2 3.69Å; Y104-L140 HydrophobicContact CE2-CG 3.81Å; Y104-H143 AromaticContact CD2-CE1 3.96Å; Y104-L217 PolarHBondContact OH-O 2.93Å; Y104-G218 VanDerWaalsContact OH-CA 3.28Å; Y104-G218 WeakPolarHBondContact OH-CA 3.48Å; Y104-G218 PolarHBondContact OH-O 3.41Å; Y104-F222 HydrophobicContact CD1-CB 4.03Å; Y104-F222 HydrophobicContact CD1-CD2 4.1Å; Y104-F222 HydrophobicContact CD2-CD2 4.41Å; Y104-F222 HydrophobicContact CG-CB 4.44Å; Y104-F222 AromaticContact CG-CD2 3.79Å; Y104-F222 HydrophobicContact CG-CD2 3.79Å
105C95Very high92.9Very high5 Ų538.8 Ų38.83%0.03422%0.222CC..THydrogen-bonded Turntrans-105.321.6178.8-510000111.6D11 Q14 M15 R103 H143 F222D11-C105 PolarHBondContact N-O 2.7Å; Q14-C105 HydrophobicContact CB-CB 4.06Å; Q14-C105 PolarHBondContact O-SG 2.94Å; M15-C105 HydrophobicContact CG-CB 3.99Å; M15-C105 HydrophobicContact SD-CB 3.57Å; M15-C105 VanDerWaalsContact SD-CB 3.57Å; R103-C105 PolarHBondContact O-N 3.48Å; R103-C105 VanDerWaalsContact O-N 3.12Å; C105-H143 PolarHBondContact N-NE2 2.98Å; C105-H143 VanDerWaalsContact N-NE2 3.14Å; C105-F222 HydrophobicContact CB-CE1 4.5Å; C105-F222 WeakPolarHBondContact SG-CD1 3.48Å
106L95.4Very high93.3Very high0 Ų041 Ų410%023%0.23CC..BIsolated β-bridgetrans-74.8150.4172.8-63.2176.6000110.9F9 R103 A110 A139 L142 H143F9-L106 HydrophobicContact CB-CD2 4.06Å; F9-L106 WeakPolarHBondContact O-CA 3.42Å; R103-L106 HydrophobicContact CG-CB 4.33Å; R103-L106 WeakPolarHBondContact CG-O 3.42Å; R103-L106 PolarHBondContact NE-O 3.48Å; R103-L106 PolarHBondContact NH2-O 3.42Å; R103-L106 WeakPolarHBondContact O-CB 3.4Å; R103-L106 WeakPolarHBondContact O-CG 3.27Å; R103-L106 PolarHBondContact O-N 3.4Å; L106-A110 HydrophobicContact CB-CB 4.14Å; L106-A110 HydrophobicContact CD2-CB 4.47Å; L106-A139 HydrophobicContact CD1-CB 4.12Å; L106-L142 HydrophobicContact CD1-CD2 4.17Å; L106-L142 HydrophobicContact CD2-CB 4.44Å; L106-L142 HydrophobicContact CD2-CD2 4.34Å; L106-L142 HydrophobicContact CD2-CG 4.38Å; L106-H143 WeakPolarHBondContact CG-CE1 3.41Å; L106-H143 PolarHBondContact N-NE2 2.87Å
107K94.9Very high93.4Very high71 Ų7140.9 Ų40.931%0.30923%0.229SC..  trans-62.4157.3164.2-58.1177.5-174.3167.30110.3T8 F9 V10 D11 E109 A110T8-K107 WeakPolarHBondContact O-CE 3.27Å; T8-K107 PolarHBondContact O-NZ 2.78Å; F9-K107 PolarHBondContact O-N 3.31Å; V10-K107 WeakPolarHBondContact O-CE 3.37Å; D11-K107 HydrophobicContact CB-CG 4.24Å; K107-E109 VanDerWaalsContact C-N 3.26Å; K107-E109 VanDerWaalsContact CB-CD 3.48Å; K107-E109 HydrophobicContact CB-CG 4.22Å; K107-E109 WeakPolarHBondContact CB-OE1 3.39Å; K107-E109 VanDerWaalsContact CD-OE1 3.27Å; K107-E109 WeakPolarHBondContact CD-OE1 2.97Å; K107-E109 PolarHBondContact O-N 3.16Å; K107-A110 HydrophobicContact CB-CB 4.26Å; K107-A110 PolarHBondContact O-N 3.49Å; K107-A110 VanDerWaalsContact O-N 3.17Å
108V91Very high93.9Very high94 Ų9439 Ų3957%0.5722%0.22SC*.THydrogen-bonded Turntrans-57.3-46.7-178.2-174.10000109.9A110 V111V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 2.96Å; V108-V111 WeakPolarHBondContact O-CB 3.44Å; V108-V111 PolarHBondContact O-N 3.17Å
109E89.2Confident94Very high120 Ų12038.5 Ų38.556%0.56120%0.2SC*.THydrogen-bonded Turntrans-68.1-27.3-177.961.7-85.9-16200113.2K107 V111 A112K107-E109 VanDerWaalsContact C-N 3.26Å; K107-E109 VanDerWaalsContact CB-CD 3.48Å; K107-E109 HydrophobicContact CB-CG 4.22Å; K107-E109 WeakPolarHBondContact CB-OE1 3.39Å; K107-E109 VanDerWaalsContact CD-OE1 3.27Å; K107-E109 WeakPolarHBondContact CD-OE1 2.97Å; K107-E109 PolarHBondContact O-N 3.16Å; E109-V111 PolarHBondContact O-N 3.33Å; E109-A112 WeakPolarHBondContact O-CB 3.38Å; E109-A112 PolarHBondContact O-N 2.99Å; E109-A112 VanDerWaalsContact O-N 3.14Å
110A92.8Very high94Very high3 Ų337.7 Ų37.73%0.02520%0.197CC..Hα-helixtrans-71.8-17.7178.200000112.7F9 L106 K107 V108 A112 S113 A114 L142F9-A110 HydrophobicContact CB-CB 3.82Å; F9-A110 HydrophobicContact CD1-CB 3.92Å; F9-A110 HydrophobicContact CG-CB 4.35Å; L106-A110 HydrophobicContact CB-CB 4.14Å; L106-A110 HydrophobicContact CD2-CB 4.47Å; K107-A110 HydrophobicContact CB-CB 4.26Å; K107-A110 PolarHBondContact O-N 3.49Å; K107-A110 VanDerWaalsContact O-N 3.17Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 2.96Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.91Å; A110-S113 VanDerWaalsContact O-CB 3.27Å; A110-S113 WeakPolarHBondContact O-CB 3.31Å; A110-S113 PolarHBondContact O-N 2.81Å; A110-A114 PolarHBondContact O-N 2.92Å; A110-L142 HydrophobicContact CB-CD2 4.5Å; A110-L142 WeakPolarHBondContact O-CD2 3.33Å
111V93.8Very high93.9Very high32 Ų3233.9 Ų33.919%0.19417%0.172CC..Hα-helixtrans-63.1-37.7170-1790000110.3V101 R103 V108 E109 S113 A114 H115V101-V111 HydrophobicContact CB-CG1 4.13Å; V101-V111 HydrophobicContact CG1-CG1 4.18Å; R103-V111 HydrophobicContact CB-CG2 4.42Å; R103-V111 HydrophobicContact CG-CG2 4.21Å; V108-V111 WeakPolarHBondContact O-CB 3.44Å; V108-V111 PolarHBondContact O-N 3.17Å; E109-V111 PolarHBondContact O-N 3.33Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 2.7Å; V111-A114 WeakPolarHBondContact O-CB 3.45Å; V111-A114 PolarHBondContact O-N 3.44Å; V111-H115 PolarHBondContact O-CD2 2.86Å; V111-H115 PolarHBondContact O-N 2.88Å; V111-H115 VanDerWaalsContact O-N 3.09Å
112A92.3Very high93.5Very high40 Ų4034.6 Ų34.633%0.33118%0.179SC..Hα-helixtrans-65.7-31.617600000112.4E109 A110 H115 R116E109-A112 WeakPolarHBondContact O-CB 3.38Å; E109-A112 PolarHBondContact O-N 2.99Å; E109-A112 VanDerWaalsContact O-N 3.14Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.91Å; A112-H115 PolarHBondContact O-N 3.31Å; A112-R116 PolarHBondContact O-N 3.07Å
113S94.6Very high92.9Very high6 Ų636.1 Ų36.14%0.04220%0.2CC..Hα-helixtrans-61.3-46171.6-60.40000111.7A110 V111 H115 R116 I117 E148A110-S113 VanDerWaalsContact O-CB 3.27Å; A110-S113 WeakPolarHBondContact O-CB 3.31Å; A110-S113 PolarHBondContact O-N 2.81Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 2.7Å; S113-H115 VanDerWaalsContact C-N 3.32Å; S113-H115 PolarHBondContact O-N 2.94Å; S113-R116 PolarHBondContact O-N 3.1Å; S113-R116 PolarHBondContact OG-NH2 2.72Å; S113-R116 VanDerWaalsContact OG-NH2 3.08Å; S113-I117 WeakPolarHBondContact O-CD1 3.49Å; S113-I117 VanDerWaalsContact O-CG1 3.31Å; S113-I117 WeakPolarHBondContact O-CG1 3.4Å; S113-I117 PolarHBondContact O-N 2.89Å; S113-E148 WeakPolarHBondContact CB-OE1 3.45Å; S113-E148 PolarHBondContact OG-OE1 3.22Å
114A96.3Very high92.5Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-61.2-40.3175.100000112.1V101 A110 V111 R116 I117 I118 T138 L142V101-A114 HydrophobicContact CG1-CB 3.66Å; V101-A114 HydrophobicContact CG2-CB 4.16Å; A110-A114 PolarHBondContact O-N 2.92Å; V111-A114 WeakPolarHBondContact O-CB 3.45Å; V111-A114 PolarHBondContact O-N 3.44Å; A114-R116 PolarHBondContact O-N 3.47Å; A114-I117 PolarHBondContact O-N 3.18Å; A114-I118 WeakPolarHBondContact O-CB 3.27Å; A114-I118 WeakPolarHBondContact O-CD1 3.42Å; A114-I118 WeakPolarHBondContact O-CG1 3.21Å; A114-I118 PolarHBondContact O-N 3.25Å; A114-T138 HydrophobicContact CB-CG2 4.13Å; A114-L142 HydrophobicContact CB-CD2 4.24Å
115H95.6Very high91.9Very high38 Ų3835.1 Ų35.118%0.17620%0.2CC..Hα-helixtrans-60.9-43.3174.5-78.2-130.4000112.2I90 L92 V111 A112 S113 I118 N119I90-H115 HydrophobicContact CB-CB 4.11Å; I90-H115 HydrophobicContact CG2-CB 4.13Å; I90-H115 PolarHBondContact O-ND1 3.16Å; L92-H115 HydrophobicContact CD2-CB 4.39Å; V111-H115 PolarHBondContact O-CD2 2.86Å; V111-H115 PolarHBondContact O-N 2.88Å; V111-H115 VanDerWaalsContact O-N 3.09Å; A112-H115 PolarHBondContact O-N 3.31Å; S113-H115 VanDerWaalsContact C-N 3.32Å; S113-H115 PolarHBondContact O-N 2.94Å; H115-I118 PolarHBondContact O-N 3.31Å; H115-N119 PolarHBondContact O-N 3.4Å; H115-N119 PolarHBondContact O-ND2 3.18Å
116R94.8Very high91Very high69 Ų6939 Ų3926%0.2623%0.225SC..Hα-helixtrans-60.7-47.2174.9-76.9-170.7-67.1-83.17.4111.9I90 A112 S113 A114 I118 N119 C120 E148I90-R116 HydrophobicContact CD1-CG 3.44Å; I90-R116 VanDerWaalsContact CD1-CG 3.44Å; A112-R116 PolarHBondContact O-N 3.07Å; S113-R116 PolarHBondContact O-N 3.1Å; S113-R116 PolarHBondContact OG-NH2 2.72Å; S113-R116 VanDerWaalsContact OG-NH2 3.08Å; A114-R116 PolarHBondContact O-N 3.47Å; R116-I118 PolarHBondContact O-N 3.27Å; R116-N119 PolarHBondContact O-N 3.19Å; R116-C120 WeakPolarHBondContact O-CB 3.31Å; R116-C120 PolarHBondContact O-N 3.28Å; R116-E148 IonicContact CZ-OE1 2.77Å; R116-E148 IonicContact CZ-OE2 2.64Å; R116-E148 IonicContact NE-OE1 3.76Å; R116-E148 IonicContact NE-OE2 2.66Å; R116-E148 PolarHBondContact NE-OE2 3.45Å; R116-E148 IonicContact NH2-OE1 3.29Å; R116-E148 PolarHBondContact NH2-OE1 3.49Å; R116-E148 IonicContact NH2-OE2 3.43Å
117I96.9Very high90.1Very high0 Ų045.2 Ų45.20%026%0.258CS..Hα-helixtrans-58.9-48.1179-66.9158.5000110.5Y74 S113 A114 N119 C120 V121 T138 L142 E148 C151 F152Y74-I117 HydrophobicContact CE2-CG1 4.12Å; S113-I117 WeakPolarHBondContact O-CD1 3.49Å; S113-I117 VanDerWaalsContact O-CG1 3.31Å; S113-I117 WeakPolarHBondContact O-CG1 3.4Å; S113-I117 PolarHBondContact O-N 2.89Å; A114-I117 PolarHBondContact O-N 3.18Å; I117-N119 VanDerWaalsContact C-N 3.35Å; I117-N119 PolarHBondContact O-N 3.26Å; I117-C120 WeakPolarHBondContact O-CB 3.35Å; I117-C120 PolarHBondContact O-N 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.36Å; I117-V121 PolarHBondContact O-N 3.33Å; I117-T138 HydrophobicContact CB-CG2 4.18Å; I117-T138 HydrophobicContact CG2-CG2 3.89Å; I117-L142 HydrophobicContact CD1-CD1 3.93Å; I117-E148 HydrophobicContact CD1-CB 4.11Å; I117-E148 HydrophobicContact CD1-CG 4.26Å; I117-E148 HydrophobicContact CG1-CB 4.16Å; I117-C151 HydrophobicContact CD1-CB 3.74Å; I117-F152 HydrophobicContact CG2-CB 4.14Å; I117-F152 HydrophobicContact CG2-CD2 4.43Å
118I97.1Very high89.5Confident0 Ų042.3 Ų42.30%025%0.246CC..Hα-helixtrans-63.3-39.5-179.4-66.6162000111.7L92 P93 F95 V96 V101 A114 H115 R116 V121 A122 L134 P135 T138L92-I118 HydrophobicContact CD2-CB 4.3Å; L92-I118 HydrophobicContact CD2-CD1 3.79Å; L92-I118 HydrophobicContact CD2-CG2 4.14Å; P93-I118 HydrophobicContact CG-CG2 3.9Å; F95-I118 HydrophobicContact CZ-CG2 4.5Å; V96-I118 HydrophobicContact CG1-CG2 4.23Å; V101-I118 HydrophobicContact CG2-CD1 3.79Å; A114-I118 WeakPolarHBondContact O-CB 3.27Å; A114-I118 WeakPolarHBondContact O-CD1 3.42Å; A114-I118 WeakPolarHBondContact O-CG1 3.21Å; A114-I118 PolarHBondContact O-N 3.25Å; H115-I118 PolarHBondContact O-N 3.31Å; R116-I118 PolarHBondContact O-N 3.27Å; I118-V121 WeakPolarHBondContact O-CB 3.31Å; I118-V121 PolarHBondContact O-N 2.84Å; I118-A122 PolarHBondContact O-N 3.05Å; I118-L134 HydrophobicContact CG2-CD2 4.11Å; I118-P135 HydrophobicContact CD1-CB 4.25Å; I118-P135 HydrophobicContact CD1-CG 4.47Å; I118-T138 HydrophobicContact CD1-CG2 4.41Å; I118-T138 HydrophobicContact CG1-CG2 4.08Å
119N92.3Very high89.1Confident57 Ų5741.2 Ų41.231%0.30524%0.242SC..Hα-helixtrans-68.8-36.5175.8-82.3-81.6000112.4I90 P91 H115 R116 I117 V121 A122 G123I90-N119 VanDerWaalsContact CG2-ND2 3.31Å; I90-N119 WeakPolarHBondContact CG2-ND2 3.24Å; P91-N119 PolarHBondContact O-ND2 3.02Å; P91-N119 PolarHBondContact O-OD1 3.36Å; H115-N119 PolarHBondContact O-N 3.4Å; H115-N119 PolarHBondContact O-ND2 3.18Å; R116-N119 PolarHBondContact O-N 3.19Å; I117-N119 VanDerWaalsContact C-N 3.35Å; I117-N119 PolarHBondContact O-N 3.26Å; N119-V121 VanDerWaalsContact C-N 3.33Å; N119-A122 WeakPolarHBondContact O-CB 3.45Å; N119-A122 PolarHBondContact O-N 3.42Å; N119-G123 PolarHBondContact O-N 3.46Å
120C91.5Very high89.1Confident11 Ų1135.7 Ų35.77%0.07422%0.217CC..Hα-helixtrans-63.2-42.2172.3-167.40000111Y74 I77 R116 I117 A122 G123 Q124 F152Y74-C120 HydrophobicContact CD2-CB 3.98Å; Y74-C120 HydrophobicContact CE2-CB 3.81Å; I77-C120 WeakPolarHBondContact CD1-SG 3.27Å; R116-C120 WeakPolarHBondContact O-CB 3.31Å; R116-C120 PolarHBondContact O-N 3.28Å; I117-C120 WeakPolarHBondContact O-CB 3.35Å; I117-C120 PolarHBondContact O-N 3.24Å; C120-A122 VanDerWaalsContact C-N 3.32Å; C120-A122 PolarHBondContact O-N 2.88Å; C120-G123 PolarHBondContact O-N 3.48Å; C120-Q124 WeakPolarHBondContact O-CG 3.31Å; C120-Q124 PolarHBondContact O-N 2.74Å; C120-F152 HydrophobicContact CB-CD2 4.07Å; C120-F152 HydrophobicContact CB-CE2 3.99Å; C120-F152 VanDerWaalsContact SG-CE2 3.59Å
121V91.8Very high89.2Confident0 Ų035.6 Ų35.60%022%0.216CC..Hα-helixtrans-58.9-43.2173.9167.90000111.1I117 I118 N119 G123 Q124 F125 I128 L134 F152 V155 L159I117-V121 WeakPolarHBondContact O-CG2 3.36Å; I117-V121 PolarHBondContact O-N 3.33Å; I118-V121 WeakPolarHBondContact O-CB 3.31Å; I118-V121 PolarHBondContact O-N 2.84Å; N119-V121 VanDerWaalsContact C-N 3.33Å; V121-G123 VanDerWaalsContact C-N 3.26Å; V121-G123 PolarHBondContact O-N 2.95Å; V121-Q124 PolarHBondContact O-N 3.42Å; V121-F125 HydrophobicContact CG1-CD2 3.83Å; V121-F125 HydrophobicContact CG1-CE2 4.49Å; V121-F125 HydrophobicContact CG1-CG 4.46Å; V121-F125 WeakPolarHBondContact O-CD2 3.45Å; V121-F125 PolarHBondContact O-N 3.12Å; V121-I128 HydrophobicContact CG1-CD1 4.34Å; V121-L134 HydrophobicContact CG1-CD2 4.13Å; V121-F152 HydrophobicContact CG2-CD2 3.83Å; V121-F152 HydrophobicContact CG2-CE2 3.79Å; V121-V155 HydrophobicContact CG2-CG1 3.84Å; V121-L159 HydrophobicContact CG1-CD1 3.47Å; V121-L159 VanDerWaalsContact CG1-CD1 3.47Å
122A86.7Confident89.3Confident28 Ų2834.5 Ų34.523%0.23121%0.209CC..Hα-helixtrans-56.4-40177.400000112.8P93 F95 I118 N119 C120 Q124P93-A122 HydrophobicContact CB-CB 4.17Å; P93-A122 HydrophobicContact CG-CB 3.73Å; F95-A122 HydrophobicContact CE1-CB 3.57Å; F95-A122 HydrophobicContact CZ-CB 3.96Å; I118-A122 PolarHBondContact O-N 3.05Å; N119-A122 WeakPolarHBondContact O-CB 3.45Å; N119-A122 PolarHBondContact O-N 3.42Å; C120-A122 VanDerWaalsContact C-N 3.32Å; C120-A122 PolarHBondContact O-N 2.88Å; A122-Q124 VanDerWaalsContact C-N 3.33Å
123G80.9Confident89.5Confident59 Ų5932.9 Ų32.961%0.60820%0.195SC*.Hα-helixtrans-72.2-23.5176.700000114.5N119 C120 V121N119-G123 PolarHBondContact O-N 3.46Å; C120-G123 PolarHBondContact O-N 3.48Å; V121-G123 VanDerWaalsContact C-N 3.26Å; V121-G123 PolarHBondContact O-N 2.95Å
124Q84.9Confident89.6Confident76 Ų7632.6 Ų32.636%0.35519%0.193SC..Hα-helixtrans-99.1-15.5-177.2-60.8-58.2-59.600113.6P69 I77 C120 V121 A122 F152P69-Q124 HydrophobicContact CG-CB 3.88Å; P69-Q124 HydrophobicContact CG-CG 4.34Å; I77-Q124 HydrophobicContact CD1-CG 4.1Å; C120-Q124 WeakPolarHBondContact O-CG 3.31Å; C120-Q124 PolarHBondContact O-N 2.74Å; V121-Q124 PolarHBondContact O-N 3.42Å; A122-Q124 VanDerWaalsContact C-N 3.33Å; Q124-F152 HydrophobicContact CB-CZ 4.44Å; Q124-F152 HydrophobicContact CG-CE2 4.41Å; Q124-F152 HydrophobicContact CG-CZ 3.98Å
125F83.1Confident89.7Confident28 Ų2832.6 Ų32.612%0.12319%0.193CC..  trans-129.670.1-178.1-66.4-94.1000110.9P69 V121 D127 I128 L159 A160P69-F125 HydrophobicContact CG-CE2 4.1Å; P69-F125 HydrophobicContact CG-CZ 4.25Å; V121-F125 HydrophobicContact CG1-CD2 3.83Å; V121-F125 HydrophobicContact CG1-CE2 4.49Å; V121-F125 HydrophobicContact CG1-CG 4.46Å; V121-F125 WeakPolarHBondContact O-CD2 3.45Å; V121-F125 PolarHBondContact O-N 3.12Å; F125-D127 PolarHBondContact O-N 3.14Å; F125-I128 HydrophobicContact CB-CD1 3.48Å; F125-I128 VanDerWaalsContact CB-CD1 3.48Å; F125-I128 HydrophobicContact CB-CG1 3.87Å; F125-I128 HydrophobicContact CG-CD1 4.11Å; F125-I128 PolarHBondContact O-N 3.28Å; F125-L159 HydrophobicContact CD1-CB 4.3Å; F125-L159 HydrophobicContact CD2-CD1 4.43Å; F125-L159 HydrophobicContact CE1-CB 3.98Å; F125-L159 HydrophobicContact CZ-CB 4.29Å; F125-A160 HydrophobicContact CE1-CB 4.2Å
126P76.1Confident89.8Confident86 Ų8631.1 Ų31.156%0.55819%0.188SC*.THydrogen-bonded Turntrans-64.8-19.1-177.927.6-35.9000113.6I128P126-I128 PolarHBondContact O-N 3.14Å
127D75.4Confident89.9Confident131 Ų13127.8 Ų27.870%0.70118%0.175SC*.THydrogen-bonded Turntrans-73.8-11.9179.3-61.1-27.1000113.4F125 S129F125-D127 PolarHBondContact O-N 3.14Å; D127-S129 PolarHBondContact O-N 3.27Å
128I82.2Confident90Very high11 Ų1127.8 Ų27.86%0.05618%0.175CC..  trans-76.5108179.2-60.6176000109.2F95 V121 F125 P126 C131 L159 Q171F95-I128 HydrophobicContact CB-CG2 4.2Å; F95-I128 HydrophobicContact CD1-CG2 4.18Å; F95-I128 HydrophobicContact CD2-CG2 3.82Å; F95-I128 HydrophobicContact CE2-CG2 4.24Å; F95-I128 HydrophobicContact CG-CG2 3.82Å; V121-I128 HydrophobicContact CG1-CD1 4.34Å; F125-I128 HydrophobicContact CB-CD1 3.48Å; F125-I128 VanDerWaalsContact CB-CD1 3.48Å; F125-I128 HydrophobicContact CB-CG1 3.87Å; F125-I128 HydrophobicContact CG-CD1 4.11Å; F125-I128 PolarHBondContact O-N 3.28Å; P126-I128 PolarHBondContact O-N 3.14Å; I128-C131 HydrophobicContact CG2-CB 3.78Å; I128-L159 HydrophobicContact CD1-CD1 3.87Å; I128-L159 HydrophobicContact CD1-CD2 3.92Å; I128-L159 HydrophobicContact CD1-CG 4.41Å; I128-Q171 HydrophobicContact CG1-CB 4.29Å; I128-Q171 HydrophobicContact CG1-CG 4.42Å
129S83Confident90.1Very high70 Ų7027.8 Ų27.849%0.4918%0.175SC..SBendtrans-98.1-23.5176.349.50000113.3D127 Q171 T172D127-S129 PolarHBondContact O-N 3.27Å; S129-Q171 PolarHBondContact N-O 3.28Å; S129-T172 WeakPolarHBondContact OG-CA 3.34Å
130H88.3Confident90.3Very high5 Ų525.1 Ų25.12%0.02316%0.161CC..  trans-160.3116179.1-165.874.8000111.9F95 D97 Q171 T172 F173 Y176F95-H130 CarbonylContact O-C 3.22Å; F95-H130 WeakPolarHBondContact O-CA 3.38Å; D97-H130 IonicContact OD2-CE1 3.86Å; H130-Q171 PolarHBondContact N-O 3.11Å; H130-Q171 CarbonylContact O-C 3.59Å; H130-Q171 VanDerWaalsContact O-CA 3.24Å; H130-Q171 WeakPolarHBondContact O-CA 3.3Å; H130-T172 PolarHBondContact O-N 3.06Å; H130-F173 HydrophobicContact CB-CB 4.03Å; H130-F173 VanDerWaalsContact CB-N 3.33Å; H130-Y176 AromaticContact CD2-CD1 3.81Å; H130-Y176 AromaticContact CD2-CG 3.65Å; H130-Y176 AromaticContact NE2-CD1 3.55Å; H130-Y176 AromaticContact NE2-CE1 3.87Å; H130-Y176 AromaticContact NE2-CG 3.79Å
131C95.4Very high90.6Very high0 Ų024.6 Ų24.60%016%0.158CC..  trans-14771.3-180-162.90000111.6F95 I128 S133 L134 D170F95-C131 HydrophobicContact CD2-CB 4.2Å; F95-C131 CarbonylContact O-C 3.56Å; F95-C131 PolarHBondContact O-N 2.97Å; I128-C131 HydrophobicContact CG2-CB 3.78Å; C131-S133 PolarHBondContact O-N 3.49Å; C131-L134 HydrophobicContact CB-CB 4.29Å; C131-L134 WeakPolarHBondContact O-CB 3.49Å; C131-L134 PolarHBondContact O-N 3.04Å; C131-D170 PolarHBondContact SG-O 2.76Å
132P95.2Very high90.9Very high10 Ų1024.6 Ų24.67%0.06516%0.158CC..THydrogen-bonded Turntrans-65.3-19.1-176.125-34.1000114.1N99 P135 Y176N99-P132 WeakPolarHBondContact CB-O 3.39Å; N99-P132 VanDerWaalsContact ND2-CB 3.25Å; N99-P132 WeakPolarHBondContact ND2-CB 3.35Å; P132-P135 WeakPolarHBondContact O-CD 3.49Å; P132-Y176 HydrophobicContact CG-CD2 3.59Å; P132-Y176 HydrophobicContact CG-CE2 3.29Å; P132-Y176 HydrophobicContact CG-CG 4.34Å
133S96.6Very high91.3Very high5 Ų523.3 Ų23.34%0.03515%0.147CC..THydrogen-bonded Turntrans-85.9-11.2178.642.60000114.3C131 A136 L137 Q213C131-S133 PolarHBondContact O-N 3.49Å; S133-A136 PolarHBondContact O-N 3.48Å; S133-L137 PolarHBondContact O-N 2.91Å; S133-L137 VanDerWaalsContact O-N 3.11Å; S133-Q213 PolarHBondContact OG-OE1 3.39Å
134L97.9Very high92.1Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-59.4-43.3-178.9-171.566.5000114F95 I118 V121 C131 A136 L137 T138 V155 L159 L169F95-L134 HydrophobicContact CE2-CD2 3.66Å; F95-L134 HydrophobicContact CZ-CD2 4.18Å; I118-L134 HydrophobicContact CG2-CD2 4.11Å; V121-L134 HydrophobicContact CG1-CD2 4.13Å; C131-L134 HydrophobicContact CB-CB 4.29Å; C131-L134 WeakPolarHBondContact O-CB 3.49Å; C131-L134 PolarHBondContact O-N 3.04Å; L134-A136 VanDerWaalsContact C-N 3.31Å; L134-A136 PolarHBondContact O-N 3.35Å; L134-L137 PolarHBondContact O-N 3.41Å; L134-T138 WeakPolarHBondContact O-CB 3.39Å; L134-T138 PolarHBondContact O-N 2.72Å; L134-T138 PolarHBondContact O-OG1 3.01Å; L134-V155 HydrophobicContact CD1-CG1 3.62Å; L134-L159 HydrophobicContact CD1-CD1 4.16Å; L134-L159 HydrophobicContact CD1-CD2 4.41Å; L134-L169 HydrophobicContact CD1-CD1 4.16Å
135P98Very high92.6Very high0 Ų017 Ų170%010%0.101CC..Hα-helixtrans-57.9-43.2178.6-26.536.5000113.1V96 N99 V101 I118 P132 A139V96-P135 HydrophobicContact CB-CG 3.69Å; V96-P135 HydrophobicContact CG1-CG 3.86Å; V96-P135 HydrophobicContact CG2-CG 4.1Å; N99-P135 HydrophobicContact CB-CG 4.37Å; N99-P135 WeakPolarHBondContact O-CG 3.21Å; V101-P135 HydrophobicContact CG2-CB 3.95Å; I118-P135 HydrophobicContact CD1-CB 4.25Å; I118-P135 HydrophobicContact CD1-CG 4.47Å; P132-P135 WeakPolarHBondContact O-CD 3.49Å; P135-A139 WeakPolarHBondContact O-CB 3.46Å; P135-A139 PolarHBondContact O-N 3.16Å
136A97.6Very high93.1Very high7 Ų720.7 Ų20.76%0.05812%0.117CC..Hα-helixtrans-70.7-43.8-178.500000112.3P102 S133 L134 T138 A139 L140 L217P102-A136 HydrophobicContact CG-CB 3.79Å; S133-A136 PolarHBondContact O-N 3.48Å; L134-A136 VanDerWaalsContact C-N 3.31Å; L134-A136 PolarHBondContact O-N 3.35Å; A136-T138 VanDerWaalsContact C-N 3.35Å; A136-T138 PolarHBondContact O-N 3.02Å; A136-A139 PolarHBondContact O-N 3.38Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.38Å; A136-L140 PolarHBondContact O-N 3.3Å; A136-L217 HydrophobicContact CB-CB 4.3Å; A136-L217 VanDerWaalsContact CB-O 3.3Å; A136-L217 WeakPolarHBondContact CB-O 3.28Å
137L98Very high94Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-62.8-42.9175.5-176.569.7000111.6S133 L134 A139 L140 L141 I158 L169 L229S133-L137 PolarHBondContact O-N 2.91Å; S133-L137 VanDerWaalsContact O-N 3.11Å; L134-L137 PolarHBondContact O-N 3.41Å; L137-A139 PolarHBondContact O-N 3.35Å; L137-L140 PolarHBondContact O-N 2.94Å; L137-L141 HydrophobicContact CD1-CD1 4.32Å; L137-L141 HydrophobicContact CD1-CG 4.36Å; L137-L141 HydrophobicContact CD2-CD1 4.34Å; L137-L141 HydrophobicContact CG-CD1 3.94Å; L137-L141 HydrophobicContact CG-CG 4.36Å; L137-L141 WeakPolarHBondContact O-CG 3.47Å; L137-L141 PolarHBondContact O-N 3.24Å; L137-I158 HydrophobicContact CD2-CB 4.48Å; L137-I158 HydrophobicContact CD2-CD1 3.89Å; L137-I158 HydrophobicContact CD2-CG2 3.85Å; L137-L169 HydrophobicContact CD2-CD1 3.61Å; L137-L169 HydrophobicContact CD2-CD2 4.19Å; L137-L169 HydrophobicContact CD2-CG 4.12Å; L137-L229 HydrophobicContact CD1-CD1 4.21Å
138T98.4Very high95Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-60.5-46.9178.4-55.90000110.5A114 I117 I118 L134 A136 L140 L141 L142 V155A114-T138 HydrophobicContact CB-CG2 4.13Å; I117-T138 HydrophobicContact CB-CG2 4.18Å; I117-T138 HydrophobicContact CG2-CG2 3.89Å; I118-T138 HydrophobicContact CD1-CG2 4.41Å; I118-T138 HydrophobicContact CG1-CG2 4.08Å; L134-T138 WeakPolarHBondContact O-CB 3.39Å; L134-T138 PolarHBondContact O-N 2.72Å; L134-T138 PolarHBondContact O-OG1 3.01Å; A136-T138 VanDerWaalsContact C-N 3.35Å; A136-T138 PolarHBondContact O-N 3.02Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-L140 PolarHBondContact O-N 2.92Å; T138-L141 PolarHBondContact O-N 2.88Å; T138-L142 WeakPolarHBondContact O-CB 3.3Å; T138-L142 PolarHBondContact O-N 2.94Å; T138-V155 HydrophobicContact CG2-CG2 4.33Å
139A97.9Very high95.7Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-56.7-47.4175.400000111.8V101 P102 Y104 L106 P135 A136 L137 L142 H143V101-A139 HydrophobicContact CG1-CB 3.86Å; P102-A139 VanDerWaalsContact O-CB 3.28Å; P102-A139 WeakPolarHBondContact O-CB 3.4Å; Y104-A139 HydrophobicContact CD2-CB 4.28Å; Y104-A139 HydrophobicContact CE2-CB 4.38Å; L106-A139 HydrophobicContact CD1-CB 4.12Å; P135-A139 WeakPolarHBondContact O-CB 3.46Å; P135-A139 PolarHBondContact O-N 3.16Å; A136-A139 PolarHBondContact O-N 3.38Å; L137-A139 PolarHBondContact O-N 3.35Å; A139-L142 WeakPolarHBondContact O-CB 3.29Å; A139-L142 PolarHBondContact O-N 2.65Å; A139-H143 PolarHBondContact O-CE1 3.23Å; A139-H143 PolarHBondContact O-N 3.13Å; A139-H143 PolarHBondContact O-ND1 3.37Å
140L97.6Very high96.4Very high0 Ų011.6 Ų11.60%06%0.058CC..Hα-helixtrans-62.2-44.6-179.7-71.5166.9000112.4Y104 A136 L137 T138 L142 H143 F144 F222 M225 L229Y104-L140 HydrophobicContact CD2-CD2 3.98Å; Y104-L140 HydrophobicContact CD2-CG 4.37Å; Y104-L140 HydrophobicContact CE2-CD2 3.69Å; Y104-L140 HydrophobicContact CE2-CG 3.81Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.38Å; A136-L140 PolarHBondContact O-N 3.3Å; L137-L140 PolarHBondContact O-N 2.94Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-L140 PolarHBondContact O-N 2.92Å; L140-L142 VanDerWaalsContact C-N 3.31Å; L140-L142 PolarHBondContact O-N 3.47Å; L140-H143 WeakPolarHBondContact O-CB 3.45Å; L140-H143 PolarHBondContact O-N 2.84Å; L140-F144 VanDerWaalsContact O-CD2 3.29Å; L140-F144 WeakPolarHBondContact O-CD2 3.34Å; L140-F222 HydrophobicContact CD2-CD2 4.32Å; L140-F222 HydrophobicContact CD2-CE2 4.31Å; L140-M225 HydrophobicContact CD1-CE 3.8Å; L140-M225 HydrophobicContact CD1-CG 3.58Å; L140-M225 HydrophobicContact CD1-SD 4.36Å; L140-M225 HydrophobicContact CD2-CB 4.36Å; L140-M225 HydrophobicContact CD2-CG 3.76Å; L140-M225 HydrophobicContact CG-CG 4.31Å; L140-L229 HydrophobicContact CB-CD2 3.93Å
141L97.9Very high96.9Very high1 Ų111.4 Ų11.41%0.0056%0.057CC..Hα-helixtrans-66.7-34.4177.9-68172.1000112I59 L137 T138 H143 F144 S145 H154 V155 I158I59-L141 HydrophobicContact CD1-CD2 3.68Å; L137-L141 HydrophobicContact CD1-CD1 4.32Å; L137-L141 HydrophobicContact CD1-CG 4.36Å; L137-L141 HydrophobicContact CD2-CD1 4.34Å; L137-L141 HydrophobicContact CG-CD1 3.94Å; L137-L141 HydrophobicContact CG-CG 4.36Å; L137-L141 WeakPolarHBondContact O-CG 3.47Å; L137-L141 PolarHBondContact O-N 3.24Å; T138-L141 PolarHBondContact O-N 2.88Å; L141-H143 PolarHBondContact O-N 3.49Å; L141-F144 CarbonylContact O-C 3.52Å; L141-F144 PolarHBondContact O-N 3.23Å; L141-S145 PolarHBondContact O-N 3.45Å; L141-S145 VanDerWaalsContact O-N 3.16Å; L141-S145 PolarHBondContact O-OG 3.14Å; L141-H154 HydrophobicContact CD1-CB 4.16Å; L141-V155 HydrophobicContact CD1-CG2 3.78Å; L141-I158 HydrophobicContact CD1-CD1 3.82Å
142L97.4Very high97Very high0 Ų011.4 Ų11.40%06%0.057CC..Hα-helixtrans-62.2-30.8178.5-168.464.3000112.5F9 L106 A110 A114 I117 T138 A139 L140 F144 S145 C151F9-L142 HydrophobicContact CB-CD2 4.42Å; F9-L142 HydrophobicContact CB-CG 4.02Å; F9-L142 HydrophobicContact CD1-CD1 4.12Å; F9-L142 HydrophobicContact CD1-CD2 4.3Å; F9-L142 HydrophobicContact CD1-CG 4.24Å; F9-L142 HydrophobicContact CD2-CD1 3.57Å; F9-L142 HydrophobicContact CD2-CG 3.86Å; F9-L142 HydrophobicContact CE1-CD1 4.17Å; F9-L142 HydrophobicContact CE2-CD1 3.63Å; F9-L142 HydrophobicContact CE2-CG 4.42Å; F9-L142 HydrophobicContact CG-CD1 3.84Å; F9-L142 HydrophobicContact CG-CD2 4.24Å; F9-L142 HydrophobicContact CG-CG 3.76Å; F9-L142 HydrophobicContact CZ-CD1 3.94Å; L106-L142 HydrophobicContact CD1-CD2 4.17Å; L106-L142 HydrophobicContact CD2-CB 4.44Å; L106-L142 HydrophobicContact CD2-CD2 4.34Å; L106-L142 HydrophobicContact CD2-CG 4.38Å; A110-L142 HydrophobicContact CB-CD2 4.5Å; A110-L142 WeakPolarHBondContact O-CD2 3.33Å; A114-L142 HydrophobicContact CB-CD2 4.24Å; I117-L142 HydrophobicContact CD1-CD1 3.93Å; T138-L142 WeakPolarHBondContact O-CB 3.3Å; T138-L142 PolarHBondContact O-N 2.94Å; A139-L142 WeakPolarHBondContact O-CB 3.29Å; A139-L142 PolarHBondContact O-N 2.65Å; L140-L142 VanDerWaalsContact C-N 3.31Å; L140-L142 PolarHBondContact O-N 3.47Å; L142-F144 PolarHBondContact O-N 3.2Å; L142-F144 VanDerWaalsContact O-N 3.16Å; L142-S145 PolarHBondContact O-N 2.69Å; L142-C151 HydrophobicContact CD1-CB 3.92Å
143H96.3Very high97.1Very high0 Ų012 Ų120%06%0.059CC..THydrogen-bonded Turntrans-62-21.3173.8-70.178000113.6V10 H48 Y104 C105 L106 A139 L140 L141 F222V10-H143 HydrophobicContact CG2-CB 4.29Å; V10-H143 WeakPolarHBondContact CG2-O 3.44Å; H48-H143 PolarHBondContact CE1-O 2.93Å; H48-H143 PolarHBondContact NE2-O 3.37Å; Y104-H143 AromaticContact CD2-CE1 3.96Å; C105-H143 PolarHBondContact N-NE2 2.98Å; C105-H143 VanDerWaalsContact N-NE2 3.14Å; L106-H143 WeakPolarHBondContact CG-CE1 3.41Å; L106-H143 PolarHBondContact N-NE2 2.87Å; A139-H143 PolarHBondContact O-CE1 3.23Å; A139-H143 PolarHBondContact O-N 3.13Å; A139-H143 PolarHBondContact O-ND1 3.37Å; L140-H143 WeakPolarHBondContact O-CB 3.45Å; L140-H143 PolarHBondContact O-N 2.84Å; L141-H143 PolarHBondContact O-N 3.49Å; H143-F222 HydrophobicContact CB-CE2 4.41Å; H143-F222 HydrophobicContact CB-CZ 4.31Å; H143-F222 AromaticContact CD2-CE2 3.42Å; H143-F222 VanDerWaalsContact CD2-CE2 3.42Å; H143-F222 WeakPolarHBondContact CD2-CE2 3.43Å; H143-F222 AromaticContact CD2-CZ 3.48Å; H143-F222 VanDerWaalsContact CD2-CZ 3.48Å; H143-F222 WeakPolarHBondContact CD2-CZ 3.47Å; H143-F222 AromaticContact CE1-CE2 3.78Å; H143-F222 AromaticContact CG-CE2 3.71Å; H143-F222 AromaticContact CG-CZ 3.91Å; H143-F222 AromaticContact ND1-CE2 3.92Å; H143-F222 AromaticContact NE2-CE2 3.47Å; H143-F222 WeakPolarHBondContact NE2-CE2 3.5Å; H143-F222 AromaticContact NE2-CZ 3.96Å
144F95.9Very high97.2Very high2 Ų211.9 Ų11.91%0.0096%0.057CC..THydrogen-bonded Turntrans-122.817.4-174.9-55.9-73.3000111.8H48 R51 A52 Y55 L140 L141 L142 F222 V226H48-F144 AromaticContact CD2-CD1 3.69Å; H48-F144 AromaticContact CD2-CE1 3.42Å; H48-F144 VanDerWaalsContact CD2-CE1 3.42Å; H48-F144 WeakPolarHBondContact CD2-CE1 3.44Å; H48-F144 AromaticContact NE2-CD1 3.47Å; H48-F144 WeakPolarHBondContact NE2-CD1 3.48Å; H48-F144 AromaticContact NE2-CE1 3.64Å; R51-F144 HydrophobicContact CB-CE1 4.45Å; R51-F144 VanDerWaalsContact CD-CZ 3.49Å; R51-F144 HydrophobicContact CG-CD1 4.17Å; R51-F144 HydrophobicContact CG-CE1 4.05Å; R51-F144 HydrophobicContact CG-CZ 4.46Å; A52-F144 HydrophobicContact CB-CB 3.98Å; A52-F144 HydrophobicContact CB-CD1 4.47Å; A52-F144 WeakPolarHBondContact CB-O 3.19Å; Y55-F144 HydrophobicContact CD2-CB 4Å; Y55-F144 AromaticContact CD2-CD2 3.81Å; Y55-F144 HydrophobicContact CD2-CD2 3.81Å; Y55-F144 AromaticContact CD2-CG 3.98Å; Y55-F144 HydrophobicContact CD2-CG 3.98Å; Y55-F144 HydrophobicContact CE2-CB 4.47Å; Y55-F144 AromaticContact CE2-CD2 3.45Å; Y55-F144 HydrophobicContact CE2-CD2 3.45Å; Y55-F144 VanDerWaalsContact CE2-CD2 3.45Å; Y55-F144 AromaticContact CE2-CE2 3.78Å; Y55-F144 HydrophobicContact CE2-CE2 3.78Å; Y55-F144 AromaticContact CE2-CG 3.96Å; Y55-F144 HydrophobicContact CE2-CG 3.96Å; L140-F144 VanDerWaalsContact O-CD2 3.29Å; L140-F144 WeakPolarHBondContact O-CD2 3.34Å; L141-F144 CarbonylContact O-C 3.52Å; L141-F144 PolarHBondContact O-N 3.23Å; L142-F144 PolarHBondContact O-N 3.2Å; L142-F144 VanDerWaalsContact O-N 3.16Å; F144-F222 HydrophobicContact CZ-CZ 4.23Å; F144-V226 HydrophobicContact CE2-CG1 4.19Å; F144-V226 HydrophobicContact CE2-CG2 4.11Å; F144-V226 HydrophobicContact CZ-CG1 3.72Å; F144-V226 HydrophobicContact CZ-CG2 3.98Å
145S96.3Very high97.2Very high0 Ų011.9 Ų11.90%06%0.057CC..  trans-105.7141.1178.2-60.60000110.2L141 L142 Q150 C151L141-S145 PolarHBondContact O-N 3.45Å; L141-S145 VanDerWaalsContact O-N 3.16Å; L141-S145 PolarHBondContact O-OG 3.14Å; L142-S145 PolarHBondContact O-N 2.69Å; S145-Q150 VanDerWaalsContact CA-OE1 3.32Å; S145-C151 WeakPolarHBondContact OG-CA 3.31Å; S145-C151 WeakPolarHBondContact OG-CB 3.41Å
146K94.6Very high97.1Very high106 Ų10611.9 Ų11.946%0.4616%0.057SC..SBendtrans-65.5-43.2176.2174.9175.8179.3-177.50111.9E5 Y6 T8E5-K146 VanDerWaalsContact O-CA 3.29Å; E5-K146 WeakPolarHBondContact O-CA 3.49Å; E5-K146 WeakPolarHBondContact O-CB 3.48Å; E5-K146 WeakPolarHBondContact O-CG 3.22Å; Y6-K146 HydrophobicContact CD1-CB 4.13Å; Y6-K146 HydrophobicContact CE1-CB 4.15Å; T8-K146 PolarHBondContact OG1-O 2.89Å
147D95.1Very high97Very high56 Ų5614 Ų1430%0.2996%0.064SC..SBendtrans-148.3178.7-179.256.434000110.9A149 Q150 C151D147-A149 VanDerWaalsContact C-N 3.29Å; D147-A149 PolarHBondContact O-N 3Å; D147-A149 PolarHBondContact OD1-N 3.13Å; D147-Q150 WeakPolarHBondContact OD1-CB 3.45Å; D147-Q150 PolarHBondContact OD1-N 3.39Å; D147-C151 PolarHBondContact O-N 3.11Å
148E96.2Very high96.9Very high30 Ų3014 Ų1414%0.146%0.064CC..Hα-helixtrans-65.1-34.6179.4-66.4179.5-168.600112.1F9 Y74 S113 R116 I117 C151 F152F9-E148 HydrophobicContact CE1-CG 4.07Å; F9-E148 HydrophobicContact CZ-CG 3.85Å; Y74-E148 HydrophobicContact CD1-CB 4.4Å; Y74-E148 HydrophobicContact CE1-CB 3.46Å; Y74-E148 VanDerWaalsContact CE1-CB 3.46Å; Y74-E148 PolarHBondContact OH-OE2 3.27Å; S113-E148 WeakPolarHBondContact CB-OE1 3.45Å; S113-E148 PolarHBondContact OG-OE1 3.22Å; R116-E148 IonicContact CZ-OE1 2.77Å; R116-E148 IonicContact CZ-OE2 2.64Å; R116-E148 IonicContact NE-OE1 3.76Å; R116-E148 IonicContact NE-OE2 2.66Å; R116-E148 PolarHBondContact NE-OE2 3.45Å; R116-E148 IonicContact NH2-OE1 3.29Å; R116-E148 PolarHBondContact NH2-OE1 3.49Å; R116-E148 IonicContact NH2-OE2 3.43Å; I117-E148 HydrophobicContact CD1-CB 4.11Å; I117-E148 HydrophobicContact CD1-CG 4.26Å; I117-E148 HydrophobicContact CG1-CB 4.16Å; E148-C151 WeakPolarHBondContact O-CB 3.05Å; E148-C151 PolarHBondContact O-N 3.01Å; E148-F152 WeakPolarHBondContact O-CB 3.41Å; E148-F152 PolarHBondContact O-N 3.26Å
149A96.5Very high96.6Very high4 Ų414.3 Ų14.33%0.0337%0.066CC..Hα-helixtrans-67.1-42.8-177.600000112A71 Y74 R75 D147 C151 F152 E153A71-A149 HydrophobicContact CB-CB 3.95Å; A71-A149 WeakPolarHBondContact CB-O 3.47Å; Y74-A149 HydrophobicContact CD1-CB 3.75Å; Y74-A149 HydrophobicContact CG-CB 4.32Å; R75-A149 HydrophobicContact CG-CB 4.09Å; R75-A149 VanDerWaalsContact NH1-CB 3.32Å; D147-A149 VanDerWaalsContact C-N 3.29Å; D147-A149 PolarHBondContact O-N 3Å; D147-A149 PolarHBondContact OD1-N 3.13Å; A149-C151 VanDerWaalsContact C-N 3.34Å; A149-F152 PolarHBondContact O-N 3.38Å; A149-E153 PolarHBondContact O-N 3.49Å
150Q97Very high96.3Very high18 Ų1814.9 Ų14.98%0.0847%0.07CC..Hα-helixtrans-63.7-40.9172.9179.81776800111.5Q56 S145 D147 F152 E153 H154Q56-Q150 VanDerWaalsContact OE1-NE2 3.11Å; S145-Q150 VanDerWaalsContact CA-OE1 3.32Å; D147-Q150 WeakPolarHBondContact OD1-CB 3.45Å; D147-Q150 PolarHBondContact OD1-N 3.39Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; Q150-E153 PolarHBondContact O-N 3Å; Q150-H154 VanDerWaalsContact O-CG 3.3Å; Q150-H154 PolarHBondContact O-N 2.97Å
151C98.3Very high95.9Very high0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-62.9-43.7177-169.30000111.1I117 L142 S145 D147 E148 A149 H154 V155I117-C151 HydrophobicContact CD1-CB 3.74Å; L142-C151 HydrophobicContact CD1-CB 3.92Å; S145-C151 WeakPolarHBondContact OG-CA 3.31Å; S145-C151 WeakPolarHBondContact OG-CB 3.41Å; D147-C151 PolarHBondContact O-N 3.11Å; E148-C151 WeakPolarHBondContact O-CB 3.05Å; E148-C151 PolarHBondContact O-N 3.01Å; A149-C151 VanDerWaalsContact C-N 3.34Å; C151-H154 PolarHBondContact O-N 3.3Å; C151-V155 WeakPolarHBondContact O-CG2 3.45Å; C151-V155 PolarHBondContact O-N 3.14Å
152F98.1Very high95.2Very high0 Ų019.5 Ų19.50%010%0.097CC..Hα-helixtrans-59.4-46.5174.2172.1-90.9000112.5P69 D70 Y74 I117 C120 V121 Q124 E148 A149 Q150 H154 V155 S156P69-F152 HydrophobicContact CB-CE1 3.64Å; P69-F152 HydrophobicContact CB-CZ 3.67Å; D70-F152 WeakPolarHBondContact O-CD1 3.4Å; D70-F152 WeakPolarHBondContact O-CE1 3.43Å; Y74-F152 HydrophobicContact CD2-CB 3.51Å; Y74-F152 HydrophobicContact CD2-CD1 4.09Å; Y74-F152 AromaticContact CD2-CD2 3.61Å; Y74-F152 HydrophobicContact CD2-CD2 3.61Å; Y74-F152 HydrophobicContact CD2-CE2 4.37Å; Y74-F152 AromaticContact CD2-CG 3.44Å; Y74-F152 HydrophobicContact CD2-CG 3.44Å; Y74-F152 VanDerWaalsContact CD2-CG 3.44Å; Y74-F152 HydrophobicContact CE2-CB 4.14Å; Y74-F152 HydrophobicContact CE2-CD2 4.28Å; Y74-F152 HydrophobicContact CE2-CG 4.34Å; Y74-F152 HydrophobicContact CG-CB 3.85Å; Y74-F152 HydrophobicContact CG-CD1 4.22Å; Y74-F152 AromaticContact CG-CG 3.94Å; Y74-F152 HydrophobicContact CG-CG 3.94Å; I117-F152 HydrophobicContact CG2-CB 4.14Å; I117-F152 HydrophobicContact CG2-CD2 4.43Å; C120-F152 HydrophobicContact CB-CD2 4.07Å; C120-F152 HydrophobicContact CB-CE2 3.99Å; C120-F152 VanDerWaalsContact SG-CE2 3.59Å; V121-F152 HydrophobicContact CG2-CD2 3.83Å; V121-F152 HydrophobicContact CG2-CE2 3.79Å; Q124-F152 HydrophobicContact CB-CZ 4.44Å; Q124-F152 HydrophobicContact CG-CE2 4.41Å; Q124-F152 HydrophobicContact CG-CZ 3.98Å; E148-F152 WeakPolarHBondContact O-CB 3.41Å; E148-F152 PolarHBondContact O-N 3.26Å; A149-F152 PolarHBondContact O-N 3.38Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 PolarHBondContact O-N 3.48Å; F152-V155 PolarHBondContact O-N 3.37Å; F152-S156 WeakPolarHBondContact CZ-OG 3.42Å; F152-S156 VanDerWaalsContact O-CB 3.27Å; F152-S156 WeakPolarHBondContact O-CB 2.96Å; F152-S156 PolarHBondContact O-N 3.01Å; F152-S156 PolarHBondContact O-OG 3.19Å
153E97.4Very high94.5Very high23 Ų2323 Ų2311%0.10711%0.113CC..Hα-helixtrans-57.3-46.9175.1-177.4-173.3162.200110.2K60 D70 A71 A149 Q150 V155 S156 R157K60-E153 WeakPolarHBondContact CE-OE1 3.43Å; K60-E153 IonicContact NZ-OE1 2.64Å; K60-E153 PolarHBondContact NZ-OE1 2.94Å; K60-E153 IonicContact NZ-OE2 2.79Å; D70-E153 HydrophobicContact CB-CG 4.35Å; A71-E153 HydrophobicContact CB-CB 4.15Å; A149-E153 PolarHBondContact O-N 3.49Å; Q150-E153 PolarHBondContact O-N 3Å; E153-V155 PolarHBondContact O-N 3.28Å; E153-S156 PolarHBondContact O-N 3.24Å; E153-R157 VanDerWaalsContact O-CG 3.31Å; E153-R157 WeakPolarHBondContact O-CG 3.21Å; E153-R157 PolarHBondContact O-N 3.19Å
154H98.1Very high93.4Very high2 Ų229 Ų291%0.00915%0.152CC..Hα-helixtrans-61.5-45.8-179.9-72167.4000112.9I59 L141 Q150 C151 F152 R157 I158I59-H154 HydrophobicContact CD1-CB 4Å; I59-H154 HydrophobicContact CG2-CB 4.01Å; L141-H154 HydrophobicContact CD1-CB 4.16Å; Q150-H154 VanDerWaalsContact O-CG 3.3Å; Q150-H154 PolarHBondContact O-N 2.97Å; C151-H154 PolarHBondContact O-N 3.3Å; F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 PolarHBondContact O-N 3.48Å; H154-R157 PolarHBondContact O-N 3.41Å; H154-I158 WeakPolarHBondContact O-CG1 3.5Å; H154-I158 PolarHBondContact O-N 2.7Å
155V98.1Very high92.2Very high0 Ų031.3 Ų31.30%018%0.176CC..Hα-helixtrans-62.2-46.6176.4171.10000110.6V121 L134 T138 L141 C151 F152 E153 R157 I158 L159V121-V155 HydrophobicContact CG2-CG1 3.84Å; L134-V155 HydrophobicContact CD1-CG1 3.62Å; T138-V155 HydrophobicContact CG2-CG2 4.33Å; L141-V155 HydrophobicContact CD1-CG2 3.78Å; C151-V155 WeakPolarHBondContact O-CG2 3.45Å; C151-V155 PolarHBondContact O-N 3.14Å; F152-V155 PolarHBondContact O-N 3.37Å; E153-V155 PolarHBondContact O-N 3.28Å; V155-R157 VanDerWaalsContact C-N 3.33Å; V155-R157 PolarHBondContact O-N 3.46Å; V155-I158 PolarHBondContact O-N 3.07Å; V155-I158 VanDerWaalsContact O-N 3.16Å; V155-L159 HydrophobicContact CG1-CD1 3.8Å; V155-L159 HydrophobicContact CG1-CG 4.45Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 2.9Å
156S95.9Very high91.2Very high0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-59.2-42.3-179.8-63.20000112P69 F152 E153 L159 A160P69-S156 WeakPolarHBondContact O-CB 3.35Å; F152-S156 WeakPolarHBondContact CZ-OG 3.42Å; F152-S156 VanDerWaalsContact O-CB 3.27Å; F152-S156 WeakPolarHBondContact O-CB 2.96Å; F152-S156 PolarHBondContact O-N 3.01Å; F152-S156 PolarHBondContact O-OG 3.19Å; E153-S156 PolarHBondContact O-N 3.24Å; S156-L159 PolarHBondContact O-N 3.43Å; S156-A160 WeakPolarHBondContact O-CB 3.46Å; S156-A160 PolarHBondContact O-N 3.15Å
157R95.4Very high90.4Very high51 Ų5132.7 Ų32.719%0.19218%0.18CC..Hα-helixtrans-67.1-36.9176.3-68.4-172.875.381.26.2113.4I59 K60 I62 T68 E153 H154 V155 L159 A160 C161I59-R157 HydrophobicContact CG2-CB 3.92Å; I59-R157 PolarHBondContact O-NE 3.19Å; K60-R157 PolarHBondContact O-NH2 3.11Å; I62-R157 PolarHBondContact O-NH2 3.34Å; T68-R157 HydrophobicContact CG2-CG 4.38Å; E153-R157 VanDerWaalsContact O-CG 3.31Å; E153-R157 WeakPolarHBondContact O-CG 3.21Å; E153-R157 PolarHBondContact O-N 3.19Å; H154-R157 PolarHBondContact O-N 3.41Å; V155-R157 VanDerWaalsContact C-N 3.33Å; V155-R157 PolarHBondContact O-N 3.46Å; R157-L159 VanDerWaalsContact C-N 3.33Å; R157-A160 PolarHBondContact O-N 2.94Å; R157-C161 PolarHBondContact O-N 3.36Å
158I95.8Very high90.2Very high1 Ų130.6 Ų30.61%0.00517%0.168CC..Hα-helixtrans-65.7-40.2176-71.2171.2000110.7I59 I62 L137 L141 H154 V155 L168 L169 L233I59-I158 HydrophobicContact CD1-CD1 4.2Å; I59-I158 HydrophobicContact CG1-CD1 4.42Å; I59-I158 HydrophobicContact CG2-CG1 4.44Å; I62-I158 HydrophobicContact CD1-CG1 3.88Å; L137-I158 HydrophobicContact CD2-CB 4.48Å; L137-I158 HydrophobicContact CD2-CD1 3.89Å; L137-I158 HydrophobicContact CD2-CG2 3.85Å; L141-I158 HydrophobicContact CD1-CD1 3.82Å; H154-I158 WeakPolarHBondContact O-CG1 3.5Å; H154-I158 PolarHBondContact O-N 2.7Å; V155-I158 PolarHBondContact O-N 3.07Å; V155-I158 VanDerWaalsContact O-N 3.16Å; I158-L168 HydrophobicContact CB-CD1 4.47Å; I158-L168 HydrophobicContact CG1-CD1 4.4Å; I158-L168 HydrophobicContact CG2-CB 3.77Å; I158-L168 HydrophobicContact CG2-CD1 4.1Å; I158-L169 HydrophobicContact CG2-CD1 4.07Å; I158-L169 HydrophobicContact CG2-CG 4.09Å; I158-L233 HydrophobicContact CD1-CD2 4.24Å
159L92.8Very high90.1Very high6 Ų629.2 Ų29.23%0.03116%0.162CC..Hα-helixtrans-69.6-41.3176.1-68.8168000112.2V121 F125 I128 L134 V155 S156 R157 C161 L169 Q171V121-L159 HydrophobicContact CG1-CD1 3.47Å; V121-L159 VanDerWaalsContact CG1-CD1 3.47Å; F125-L159 HydrophobicContact CD1-CB 4.3Å; F125-L159 HydrophobicContact CD2-CD1 4.43Å; F125-L159 HydrophobicContact CE1-CB 3.98Å; F125-L159 HydrophobicContact CZ-CB 4.29Å; I128-L159 HydrophobicContact CD1-CD1 3.87Å; I128-L159 HydrophobicContact CD1-CD2 3.92Å; I128-L159 HydrophobicContact CD1-CG 4.41Å; L134-L159 HydrophobicContact CD1-CD1 4.16Å; L134-L159 HydrophobicContact CD1-CD2 4.41Å; V155-L159 HydrophobicContact CG1-CD1 3.8Å; V155-L159 HydrophobicContact CG1-CG 4.45Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 2.9Å; S156-L159 PolarHBondContact O-N 3.43Å; R157-L159 VanDerWaalsContact C-N 3.33Å; L159-C161 PolarHBondContact O-N 2.72Å; L159-L169 HydrophobicContact CD2-CB 4.47Å; L159-L169 HydrophobicContact CD2-CD1 3.81Å; L159-Q171 HydrophobicContact CD2-CG 3.94Å; L159-Q171 PolarHBondContact O-NE2 2.79Å
160A90.6Very high89.9Confident12 Ų1229 Ų2910%0.09916%0.16CC..THydrogen-bonded Turntrans-80.53.1-177.200000114.8C64 T68 F125 S156 R157 N162C64-A160 HydrophobicContact CB-CB 4.17Å; T68-A160 HydrophobicContact CG2-CB 3.52Å; F125-A160 HydrophobicContact CE1-CB 4.2Å; S156-A160 WeakPolarHBondContact O-CB 3.46Å; S156-A160 PolarHBondContact O-N 3.15Å; R157-A160 PolarHBondContact O-N 2.94Å; A160-N162 PolarHBondContact O-N 3.28Å; A160-N162 VanDerWaalsContact O-N 3.11Å
161C89.8Confident89.6Confident23 Ų2330.6 Ų30.616%0.15517%0.168CC..BIsolated β-bridgetrans-53.8117178.8-179.90000110.8I62 P63 R157 L159 K166 L168I62-C161 HydrophobicContact CG2-CB 3.69Å; P63-C161 WeakPolarHBondContact O-CA 3.3Å; R157-C161 PolarHBondContact O-N 3.36Å; L159-C161 PolarHBondContact O-N 2.72Å; C161-K166 PolarHBondContact SG-O 3.23Å; C161-L168 HydrophobicContact CB-CD1 4.03Å; C161-L168 HydrophobicContact CB-CG 4.42Å
162N83.1Confident89Confident75 Ų7533 Ų3340%0.40118%0.183SC..  trans-112.410.7-176.367.7-5000113.5P63 C64 R65 A160 P164P63-N162 PolarHBondContact O-N 2.89Å; P63-N162 VanDerWaalsContact O-N 3.13Å; P63-N162 PolarHBondContact O-OD1 3.19Å; C64-N162 VanDerWaalsContact C-ND2 3.25Å; C64-N162 PolarHBondContact O-ND2 3.35Å; R65-N162 HydrophobicContact CG-CB 4.17Å; R65-N162 PolarHBondContact N-ND2 3.42Å; A160-N162 PolarHBondContact O-N 3.28Å; A160-N162 VanDerWaalsContact O-N 3.11Å; N162-P164 WeakPolarHBondContact O-CD 3.28Å
163E82.4Confident88.3Confident74 Ų7434.2 Ų34.235%0.34619%0.188SC..  trans-64.4122.8176.2-173.5178151.600110.4P63 G165 K166P63-E163 HydrophobicContact CG-CB 3.69Å; P63-E163 HydrophobicContact CG-CG 4.39Å; E163-G165 PolarHBondContact O-N 2.99Å; E163-K166 HydrophobicContact CB-CB 3.96Å; E163-K166 HydrophobicContact CB-CD 4.13Å; E163-K166 HydrophobicContact CG-CB 4.02Å; E163-K166 HydrophobicContact CG-CD 4.08Å; E163-K166 PolarHBondContact O-N 3.2Å; E163-K166 WeakPolarHBondContact OE1-CD 3.48Å; E163-K166 IonicContact OE1-NZ 3.55Å; E163-K166 WeakPolarHBondContact OE2-CD 3.44Å; E163-K166 WeakPolarHBondContact OE2-CE 3.43Å; E163-K166 IonicContact OE2-NZ 3.59Å; E163-K166 PolarHBondContact OE2-NZ 3.21Å
164P74.3Confident87.6Confident127 Ų12733.8 Ų33.883%0.82519%0.186SC*.THydrogen-bonded Turntrans-56126.2-177.7-27.235000112.4N162 K166N162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-K166 PolarHBondContact O-N 3.35Å
165G69.9Low87.1Confident49 Ų4933.9 Ų33.951%0.50519%0.187SC..THydrogen-bonded Turntrans7112179.800000114.9E163E163-G165 PolarHBondContact O-N 2.99Å
166K76.1Confident86.7Confident47 Ų4734.8 Ų34.820%0.20419%0.191CC..  trans-12079.2172.6-170.6-173.3-178.6-172.70109.8C161 E163 P164C161-K166 PolarHBondContact SG-O 3.23Å; E163-K166 HydrophobicContact CB-CB 3.96Å; E163-K166 HydrophobicContact CB-CD 4.13Å; E163-K166 HydrophobicContact CG-CB 4.02Å; E163-K166 HydrophobicContact CG-CD 4.08Å; E163-K166 PolarHBondContact O-N 3.2Å; E163-K166 WeakPolarHBondContact OE1-CD 3.48Å; E163-K166 IonicContact OE1-NZ 3.55Å; E163-K166 WeakPolarHBondContact OE2-CD 3.44Å; E163-K166 WeakPolarHBondContact OE2-CE 3.43Å; E163-K166 IonicContact OE2-NZ 3.59Å; E163-K166 PolarHBondContact OE2-NZ 3.21Å; P164-K166 PolarHBondContact O-N 3.35Å
167R77.1Confident86.2Confident88 Ų8836.7 Ų36.733%0.33220%0.2SC..  trans-73.5141.7164.3-167.5178.5-65.4174.2-1.9109L169 D170 Y237R167-L169 WeakPolarHBondContact CG-O 3.4Å; R167-D170 WeakPolarHBondContact CD-OD1 3.11Å; R167-D170 IonicContact CZ-OD1 2.81Å; R167-D170 IonicContact NE-OD1 3.08Å; R167-D170 IonicContact NH1-OD1 3.9Å; R167-D170 PolarHBondContact NH1-OD1 3.18Å; R167-Y237 VanDerWaalsContact O-CB 3.24Å; R167-Y237 WeakPolarHBondContact O-CB 3.33Å
168L91.5Very high85.8Confident12 Ų1234.2 Ų34.26%0.06319%0.19CC..SBendtrans-112.5-33.5174.1-67.2178.3000112.1I62 I158 C161 Y232 Y237I62-L168 HydrophobicContact CD1-CD1 3.79Å; I62-L168 HydrophobicContact CG2-CD1 4.49Å; I158-L168 HydrophobicContact CB-CD1 4.47Å; I158-L168 HydrophobicContact CG1-CD1 4.4Å; I158-L168 HydrophobicContact CG2-CB 3.77Å; I158-L168 HydrophobicContact CG2-CD1 4.1Å; C161-L168 HydrophobicContact CB-CD1 4.03Å; C161-L168 HydrophobicContact CB-CG 4.42Å; L168-Y232 VanDerWaalsContact C-OH 3.32Å; L168-Y232 PolarHBondContact O-OH 2.89Å; L168-Y237 WeakPolarHBondContact O-CD2 3.43Å; L168-Y237 WeakPolarHBondContact O-CE2 3.4Å
169L93.6Very high85.6Confident1 Ų134.2 Ų34.21%0.00519%0.19CC..SBendtrans-135.3148171.8-71.4177.4000109.8L134 L137 I158 L159 R167L134-L169 HydrophobicContact CD1-CD1 4.16Å; L137-L169 HydrophobicContact CD2-CD1 3.61Å; L137-L169 HydrophobicContact CD2-CD2 4.19Å; L137-L169 HydrophobicContact CD2-CG 4.12Å; I158-L169 HydrophobicContact CG2-CD1 4.07Å; I158-L169 HydrophobicContact CG2-CG 4.09Å; L159-L169 HydrophobicContact CD2-CB 4.47Å; L159-L169 HydrophobicContact CD2-CD1 3.81Å; R167-L169 WeakPolarHBondContact CG-O 3.4Å
170D92.8Very high85.5Confident0 Ų034 Ų340%019%0.189CC..  trans-78.5130166.1-63.7-47.5000109C131 R167 A175 S179 Q213 Y237C131-D170 PolarHBondContact SG-O 2.76Å; R167-D170 WeakPolarHBondContact CD-OD1 3.11Å; R167-D170 IonicContact CZ-OD1 2.81Å; R167-D170 IonicContact NE-OD1 3.08Å; R167-D170 IonicContact NH1-OD1 3.9Å; R167-D170 PolarHBondContact NH1-OD1 3.18Å; D170-A175 HydrophobicContact CB-CB 4.17Å; D170-S179 VanDerWaalsContact OD2-CB 3.31Å; D170-S179 WeakPolarHBondContact OD2-CB 3.02Å; D170-S179 PolarHBondContact OD2-OG 3.14Å; D170-Q213 PolarHBondContact OD2-NE2 2.64Å; D170-Y237 PolarHBondContact OD2-OH 3.03Å
171Q90.3Very high85.1Confident51 Ų5135.8 Ų35.824%0.23820%0.196CC..  trans-118.8-7.1-172.5-65175.94200112.8I128 S129 H130 L159I128-Q171 HydrophobicContact CG1-CB 4.29Å; I128-Q171 HydrophobicContact CG1-CG 4.42Å; S129-Q171 PolarHBondContact N-O 3.28Å; H130-Q171 PolarHBondContact N-O 3.11Å; H130-Q171 CarbonylContact O-C 3.59Å; H130-Q171 VanDerWaalsContact O-CA 3.24Å; H130-Q171 WeakPolarHBondContact O-CA 3.3Å; L159-Q171 HydrophobicContact CD2-CG 3.94Å; L159-Q171 PolarHBondContact O-NE2 2.79Å
172T87Confident85Confident52 Ų5234.7 Ų34.732%0.31919%0.189SC..SBendtrans-128.4156.4177.471.70000110.5S129 H130 L174 A175 Y176S129-T172 WeakPolarHBondContact OG-CA 3.34Å; H130-T172 PolarHBondContact O-N 3.06Å; T172-L174 VanDerWaalsContact C-N 3.33Å; T172-L174 PolarHBondContact O-N 3.48Å; T172-A175 WeakPolarHBondContact O-CB 3.17Å; T172-A175 PolarHBondContact O-N 3Å; T172-A175 WeakPolarHBondContact OG1-CB 3.31Å; T172-A175 PolarHBondContact OG1-N 2.83Å; T172-Y176 PolarHBondContact O-N 2.58Å
173F82.8Confident85.6Confident25 Ų2531.1 Ų31.111%0.1117%0.17CC..Hα-helixtrans-60.4-47.2180172-111.6000111.2H130 A175 Y176 E177 I323 K326H130-F173 HydrophobicContact CB-CB 4.03Å; H130-F173 VanDerWaalsContact CB-N 3.33Å; F173-A175 VanDerWaalsContact C-N 3.32Å; F173-A175 PolarHBondContact O-N 3.33Å; F173-Y176 WeakPolarHBondContact O-CB 3.44Å; F173-Y176 PolarHBondContact O-N 2.83Å; F173-Y176 VanDerWaalsContact O-N 3.12Å; F173-E177 HydrophobicContact CD1-CG 4.27Å; F173-E177 HydrophobicContact CD2-CG 3.85Å; F173-E177 HydrophobicContact CE1-CG 3.86Å; F173-E177 HydrophobicContact CE2-CG 3.39Å; F173-E177 WeakPolarHBondContact CE2-OE1 3.46Å; F173-E177 HydrophobicContact CG-CG 4.31Å; F173-E177 HydrophobicContact CZ-CG 3.42Å; F173-E177 VanDerWaalsContact CZ-CG 3.42Å; F173-E177 WeakPolarHBondContact O-CG 3.17Å; F173-E177 PolarHBondContact O-N 3.21Å; F173-I323 HydrophobicContact CE1-CG2 3.78Å; F173-I323 HydrophobicContact CZ-CG2 4.43Å; F173-K326 HydrophobicContact CB-CB 4.13Å; F173-K326 HydrophobicContact CD1-CB 4.13Å; F173-K326 HydrophobicContact CD2-CB 3.47Å; F173-K326 VanDerWaalsContact CD2-CB 3.47Å; F173-K326 HydrophobicContact CD2-CD 4.02Å; F173-K326 HydrophobicContact CD2-CG 4.05Å; F173-K326 HydrophobicContact CE1-CB 4.35Å; F173-K326 HydrophobicContact CE2-CB 3.73Å; F173-K326 HydrophobicContact CE2-CD 3.96Å; F173-K326 HydrophobicContact CE2-CG 3.89Å; F173-K326 HydrophobicContact CG-CB 3.64Å; F173-K326 HydrophobicContact CZ-CB 4.15Å; F173-K326 HydrophobicContact CZ-CG 4.39Å
174L81.4Confident85.7Confident14 Ų1428 Ų287%0.07316%0.157CC..Hα-helixtrans-60-41.3178.6-17859.1000112.5T172 Y176 S178 E315 L318 Q319 I323T172-L174 VanDerWaalsContact C-N 3.33Å; T172-L174 PolarHBondContact O-N 3.48Å; L174-Y176 VanDerWaalsContact C-N 3.35Å; L174-S178 WeakPolarHBondContact O-CB 3.25Å; L174-S178 PolarHBondContact O-N 3.29Å; L174-E315 HydrophobicContact CD1-CG 4.11Å; L174-E315 HydrophobicContact CD2-CG 3.68Å; L174-E315 WeakPolarHBondContact CD2-OE1 3.46Å; L174-E315 HydrophobicContact CG-CG 3.69Å; L174-L318 HydrophobicContact CD1-CB 3.6Å; L174-L318 HydrophobicContact CD1-CD1 3.88Å; L174-L318 HydrophobicContact CD1-CG 4.4Å; L174-Q319 HydrophobicContact CD1-CG 4.4Å; L174-Q319 HydrophobicContact CD2-CG 3.78Å; L174-I323 WeakPolarHBondContact CD1-O 3.21Å
175A88.4Confident86.1Confident3 Ų324 Ų243%0.02513%0.129CC..Hα-helixtrans-60.5-44.7174.400000111.9D170 T172 F173 S179D170-A175 HydrophobicContact CB-CB 4.17Å; T172-A175 WeakPolarHBondContact O-CB 3.17Å; T172-A175 PolarHBondContact O-N 3Å; T172-A175 WeakPolarHBondContact OG1-CB 3.31Å; T172-A175 PolarHBondContact OG1-N 2.83Å; F173-A175 VanDerWaalsContact C-N 3.32Å; F173-A175 PolarHBondContact O-N 3.33Å; A175-S179 WeakPolarHBondContact O-CB 3.41Å; A175-S179 PolarHBondContact O-N 3.3Å
176Y90.8Very high87.1Confident20 Ų2021.8 Ų21.88%0.07811%0.105CC..Hα-helixtrans-65.3-50.7179175.6-97.1000112.1H130 P132 T172 F173 L174 S178 S179 C180 A210 Q213H130-Y176 AromaticContact CD2-CD1 3.81Å; H130-Y176 AromaticContact CD2-CG 3.65Å; H130-Y176 AromaticContact NE2-CD1 3.55Å; H130-Y176 AromaticContact NE2-CE1 3.87Å; H130-Y176 AromaticContact NE2-CG 3.79Å; P132-Y176 HydrophobicContact CG-CD2 3.59Å; P132-Y176 HydrophobicContact CG-CE2 3.29Å; P132-Y176 HydrophobicContact CG-CG 4.34Å; T172-Y176 PolarHBondContact O-N 2.58Å; F173-Y176 WeakPolarHBondContact O-CB 3.44Å; F173-Y176 PolarHBondContact O-N 2.83Å; F173-Y176 VanDerWaalsContact O-N 3.12Å; L174-Y176 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.17Å; Y176-S179 WeakPolarHBondContact O-CA 3.4Å; Y176-S179 VanDerWaalsContact O-CB 3.22Å; Y176-S179 WeakPolarHBondContact O-CB 3.45Å; Y176-S179 PolarHBondContact O-N 3.19Å; Y176-S179 PolarHBondContact O-OG 3.01Å; Y176-C180 PolarHBondContact O-N 2.88Å; Y176-C180 PolarHBondContact O-SG 3.31Å; Y176-A210 PolarHBondContact OH-O 2.73Å; Y176-Q213 HydrophobicContact CE2-CG 4.41Å
177E83.9Confident87.7Confident39 Ų3919.5 Ų19.518%0.18210%0.095CC..Hα-helixtrans-61-43.3178.6-71.9-59.4138.700111.9F173 S179 C180 M181 L318F173-E177 HydrophobicContact CD1-CG 4.27Å; F173-E177 HydrophobicContact CD2-CG 3.85Å; F173-E177 HydrophobicContact CE1-CG 3.86Å; F173-E177 HydrophobicContact CE2-CG 3.39Å; F173-E177 WeakPolarHBondContact CE2-OE1 3.46Å; F173-E177 HydrophobicContact CG-CG 4.31Å; F173-E177 HydrophobicContact CZ-CG 3.42Å; F173-E177 VanDerWaalsContact CZ-CG 3.42Å; F173-E177 WeakPolarHBondContact O-CG 3.17Å; F173-E177 PolarHBondContact O-N 3.21Å; E177-S179 PolarHBondContact O-N 2.62Å; E177-C180 WeakPolarHBondContact O-CB 3.39Å; E177-C180 PolarHBondContact O-N 3.24Å; E177-C180 VanDerWaalsContact O-N 3.08Å; E177-M181 PolarHBondContact O-N 3.5Å; E177-L318 HydrophobicContact CB-CD1 3.68Å
178S86.7Confident88.3Confident0 Ų017.1 Ų17.10%09%0.089CC..Hα-helixtrans-56.4-42.1172.2169.80000111.3L174 Y176 C180 M181 T182 Q311L174-S178 WeakPolarHBondContact O-CB 3.25Å; L174-S178 PolarHBondContact O-N 3.29Å; Y176-S178 PolarHBondContact O-N 3.17Å; S178-C180 VanDerWaalsContact C-N 3.31Å; S178-C180 PolarHBondContact O-N 2.9Å; S178-M181 PolarHBondContact O-N 2.94Å; S178-T182 WeakPolarHBondContact O-CB 3.35Å; S178-T182 PolarHBondContact O-N 2.82Å; S178-T182 PolarHBondContact O-OG1 2.9Å; S178-T182 VanDerWaalsContact O-OG1 3.11Å; S178-Q311 WeakPolarHBondContact OG-CA 3.41Å; S178-Q311 PolarHBondContact OG-O 2.69Å
179S92.4Very high88.1Confident0 Ų022.7 Ų22.70%011%0.113CC..Hα-helixtrans-62.1-37.2176.993.30000112.8D170 A175 Y176 E177 T182 F183 W212 Q213 Y241D170-S179 VanDerWaalsContact OD2-CB 3.31Å; D170-S179 WeakPolarHBondContact OD2-CB 3.02Å; D170-S179 PolarHBondContact OD2-OG 3.14Å; A175-S179 WeakPolarHBondContact O-CB 3.41Å; A175-S179 PolarHBondContact O-N 3.3Å; Y176-S179 WeakPolarHBondContact O-CA 3.4Å; Y176-S179 VanDerWaalsContact O-CB 3.22Å; Y176-S179 WeakPolarHBondContact O-CB 3.45Å; Y176-S179 PolarHBondContact O-N 3.19Å; Y176-S179 PolarHBondContact O-OG 3.01Å; E177-S179 PolarHBondContact O-N 2.62Å; S179-T182 PolarHBondContact O-N 3.31Å; S179-F183 PolarHBondContact O-N 3.09Å; S179-W212 PolarHBondContact OG-NE1 3.24Å; S179-Q213 PolarHBondContact OG-NE2 2.88Å; S179-Y241 PolarHBondContact O-OH 3.39Å
180C89.8Confident88Confident2 Ų224.8 Ų24.81%0.01412%0.121CC..Hα-helixtrans-69.1-44.2178.2-63.30000111.1Y176 E177 S178 F183 G184Y176-C180 PolarHBondContact O-N 2.88Å; Y176-C180 PolarHBondContact O-SG 3.31Å; E177-C180 WeakPolarHBondContact O-CB 3.39Å; E177-C180 PolarHBondContact O-N 3.24Å; E177-C180 VanDerWaalsContact O-N 3.08Å; S178-C180 VanDerWaalsContact C-N 3.31Å; S178-C180 PolarHBondContact O-N 2.9Å; C180-F183 WeakPolarHBondContact O-CB 3.5Å; C180-F183 PolarHBondContact O-N 3.4Å; C180-G184 PolarHBondContact O-N 3.06Å
181M83.7Confident87.9Confident50 Ų5025.2 Ų25.225%0.24612%0.124CC..Hα-helixtrans-60-47.4172-68-174.969.400111.3E177 S178 F183 G184 D185 N314 L318E177-M181 PolarHBondContact O-N 3.5Å; S178-M181 PolarHBondContact O-N 2.94Å; M181-F183 VanDerWaalsContact C-N 3.27Å; M181-F183 PolarHBondContact O-N 3.46Å; M181-G184 WeakPolarHBondContact O-CA 3.38Å; M181-G184 PolarHBondContact O-N 3.48Å; M181-D185 PolarHBondContact O-N 2.88Å; M181-N314 HydrophobicContact CB-CB 4.09Å; M181-N314 WeakPolarHBondContact CB-ND2 3.48Å; M181-N314 HydrophobicContact SD-CB 4.33Å; M181-L318 HydrophobicContact SD-CD1 3.95Å; M181-L318 HydrophobicContact SD-CD2 3.69Å; M181-L318 HydrophobicContact SD-CG 3.71Å
182T88.2Confident87.9Confident0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-59-40.1177.2-68.40000111.3S178 S179 G184 D185 L186 Y241 I307 L310 Q311 N314S178-T182 WeakPolarHBondContact O-CB 3.35Å; S178-T182 PolarHBondContact O-N 2.82Å; S178-T182 PolarHBondContact O-OG1 2.9Å; S178-T182 VanDerWaalsContact O-OG1 3.11Å; S179-T182 PolarHBondContact O-N 3.31Å; T182-G184 VanDerWaalsContact C-N 3.33Å; T182-G184 PolarHBondContact O-N 2.91Å; T182-D185 PolarHBondContact O-N 2.85Å; T182-L186 HydrophobicContact CG2-CD1 4.03Å; T182-L186 HydrophobicContact CG2-CG 4.37Å; T182-L186 WeakPolarHBondContact O-CB 3.31Å; T182-L186 WeakPolarHBondContact O-CG 3.42Å; T182-L186 PolarHBondContact O-N 3.11Å; T182-Y241 HydrophobicContact CG2-CE1 4.33Å; T182-I307 HydrophobicContact CG2-CG2 4.45Å; T182-L310 HydrophobicContact CG2-CD2 4Å; T182-L310 HydrophobicContact CG2-CG 4.21Å; T182-Q311 HydrophobicContact CG2-CG 4.04Å; T182-Q311 WeakPolarHBondContact OG1-CG 3.21Å; T182-N314 WeakPolarHBondContact CA-ND2 3.45Å; T182-N314 PolarHBondContact N-ND2 3.06Å; T182-N314 VanDerWaalsContact N-ND2 3.12Å; T182-N314 PolarHBondContact OG1-ND2 3.14Å; T182-N314 VanDerWaalsContact OG1-ND2 3.08Å
183F94.3Very high88Confident0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-61.6-42.1174.4178.1-111.1000111.9S179 C180 M181 D185 L186 A187 Y209 W212 W215 Y241 A244 I245 L248S179-F183 PolarHBondContact O-N 3.09Å; C180-F183 WeakPolarHBondContact O-CB 3.5Å; C180-F183 PolarHBondContact O-N 3.4Å; M181-F183 VanDerWaalsContact C-N 3.27Å; M181-F183 PolarHBondContact O-N 3.46Å; F183-D185 PolarHBondContact O-N 2.76Å; F183-L186 PolarHBondContact O-N 3.17Å; F183-A187 WeakPolarHBondContact O-CB 3.44Å; F183-A187 PolarHBondContact O-N 2.83Å; F183-Y209 HydrophobicContact CD1-CD1 4.07Å; F183-Y209 HydrophobicContact CD1-CD2 4.43Å; F183-Y209 AromaticContact CD1-CG 3.92Å; F183-Y209 HydrophobicContact CD1-CG 3.92Å; F183-Y209 AromaticContact CE1-CD1 3.74Å; F183-Y209 HydrophobicContact CE1-CD1 3.74Å; F183-Y209 HydrophobicContact CE1-CE1 4.11Å; F183-Y209 HydrophobicContact CE1-CG 4.09Å; F183-W212 HydrophobicContact CB-CB 4.32Å; F183-W212 HydrophobicContact CB-CD2 4Å; F183-W212 HydrophobicContact CB-CG 3.81Å; F183-W212 HydrophobicContact CD1-CB 3.36Å; F183-W212 AromaticContact CD1-CG 3.82Å; F183-W212 HydrophobicContact CD1-CG 3.82Å; F183-W212 HydrophobicContact CD2-CB 4.26Å; F183-W212 HydrophobicContact CD2-CD2 4.32Å; F183-W212 HydrophobicContact CD2-CE3 4.27Å; F183-W212 HydrophobicContact CD2-CG 4.34Å; F183-W212 HydrophobicContact CE1-CB 3.61Å; F183-W212 HydrophobicContact CE1-CG 4.5Å; F183-W212 HydrophobicContact CE2-CB 4.47Å; F183-W212 HydrophobicContact CG-CB 3.7Å; F183-W212 HydrophobicContact CG-CD2 4.04Å; F183-W212 HydrophobicContact CG-CE3 4.45Å; F183-W212 AromaticContact CG-CG 3.7Å; F183-W212 HydrophobicContact CG-CG 3.7Å; F183-W212 HydrophobicContact CZ-CB 4.16Å; F183-W215 HydrophobicContact CE1-CE3 4.29Å; F183-W215 HydrophobicContact CE1-CH2 4.03Å; F183-W215 AromaticContact CE1-CZ3 3.46Å; F183-W215 HydrophobicContact CE1-CZ3 3.46Å; F183-W215 VanDerWaalsContact CE1-CZ3 3.46Å; F183-W215 HydrophobicContact CZ-CE3 4.25Å; F183-W215 AromaticContact CZ-CZ3 3.64Å; F183-W215 HydrophobicContact CZ-CZ3 3.64Å; F183-Y241 HydrophobicContact CB-CD1 4.39Å; F183-Y241 HydrophobicContact CB-CE1 4.05Å; F183-Y241 HydrophobicContact CD2-CD1 4.09Å; F183-A244 HydrophobicContact CD2-CB 4.13Å; F183-A244 HydrophobicContact CE2-CB 3.36Å; F183-A244 HydrophobicContact CZ-CB 3.82Å; F183-I245 HydrophobicContact CE2-CG1 4.09Å; F183-L248 HydrophobicContact CE1-CD1 4.01Å; F183-L248 HydrophobicContact CZ-CD1 3.55Å; F183-L248 HydrophobicContact CZ-CG 4.19Å
184G85.8Confident88.4Confident7 Ų723.5 Ų23.57%0.07212%0.123CC..Hα-helixtrans-57-47174.900000113.1C180 M181 T182 L186 A187 N188 Y209C180-G184 PolarHBondContact O-N 3.06Å; M181-G184 WeakPolarHBondContact O-CA 3.38Å; M181-G184 PolarHBondContact O-N 3.48Å; T182-G184 VanDerWaalsContact C-N 3.33Å; T182-G184 PolarHBondContact O-N 2.91Å; G184-L186 VanDerWaalsContact C-N 3.34Å; G184-L186 PolarHBondContact O-N 2.82Å; G184-A187 PolarHBondContact O-N 3.47Å; G184-N188 PolarHBondContact O-N 2.95Å; G184-Y209 VanDerWaalsContact CA-CD2 3.47Å
185D82.8Confident88.8Confident44 Ų4423 Ų2324%0.23512%0.12CC..Hα-helixtrans-59.5-45176.2-61.8-38000111.7M181 T182 F183 N188 K189 L310 N314 W472M181-D185 PolarHBondContact O-N 2.88Å; T182-D185 PolarHBondContact O-N 2.85Å; F183-D185 PolarHBondContact O-N 2.76Å; D185-N188 PolarHBondContact O-N 3.32Å; D185-K189 WeakPolarHBondContact O-CB 3.01Å; D185-K189 PolarHBondContact O-N 3.01Å; D185-L310 HydrophobicContact CB-CD2 4.01Å; D185-N314 PolarHBondContact OD2-ND2 3.42Å; D185-N314 VanDerWaalsContact OD2-ND2 3.08Å; D185-W472 WeakPolarHBondContact OD1-CZ3 3.35Å
186L89.1Confident88.6Confident2 Ų229.6 Ų29.61%0.0115%0.148CC..Hα-helixtrans-67.4-38.3177.9-66.8177.2000112T182 F183 G184 K189 Y190 Y241 I245 L301 I302T182-L186 HydrophobicContact CG2-CD1 4.03Å; T182-L186 HydrophobicContact CG2-CG 4.37Å; T182-L186 WeakPolarHBondContact O-CB 3.31Å; T182-L186 WeakPolarHBondContact O-CG 3.42Å; T182-L186 PolarHBondContact O-N 3.11Å; F183-L186 PolarHBondContact O-N 3.17Å; G184-L186 VanDerWaalsContact C-N 3.34Å; G184-L186 PolarHBondContact O-N 2.82Å; L186-K189 PolarHBondContact O-N 3.22Å; L186-Y190 HydrophobicContact CB-CD2 4.37Å; L186-Y190 HydrophobicContact CD2-CD2 4.02Å; L186-Y190 HydrophobicContact CD2-CE2 3.72Å; L186-Y190 WeakPolarHBondContact O-CB 3.24Å; L186-Y190 WeakPolarHBondContact O-CD2 3.48Å; L186-Y190 PolarHBondContact O-N 3.18Å; L186-Y241 HydrophobicContact CD1-CD1 3.79Å; L186-Y241 HydrophobicContact CD1-CD2 4.24Å; L186-Y241 HydrophobicContact CD1-CE1 4.26Å; L186-Y241 HydrophobicContact CD1-CG 3.78Å; L186-I245 HydrophobicContact CB-CD1 4.01Å; L186-L301 HydrophobicContact CD1-CD1 4.38Å; L186-L301 HydrophobicContact CD2-CD1 3.91Å; L186-I302 HydrophobicContact CD2-CD1 3.86Å; L186-I302 HydrophobicContact CD2-CG1 3.97Å
187A90.3Very high88.4Confident0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-63.6-44.5176.600000110.8F183 G184 K189 C191 T192 Y209 L248F183-A187 WeakPolarHBondContact O-CB 3.44Å; F183-A187 PolarHBondContact O-N 2.83Å; G184-A187 PolarHBondContact O-N 3.47Å; A187-K189 PolarHBondContact O-N 2.74Å; A187-C191 CarbonylContact O-C 3.56Å; A187-C191 VanDerWaalsContact O-CA 3.27Å; A187-C191 WeakPolarHBondContact O-CA 3.46Å; A187-C191 PolarHBondContact O-N 3.23Å; A187-T192 PolarHBondContact O-N 3.15Å; A187-Y209 HydrophobicContact CB-CE2 4.21Å; A187-L248 HydrophobicContact CB-CD1 3.89Å
188N88.9Confident88.5Confident37 Ų3729 Ų2920%0.19815%0.147CC..Hα-helixtrans-61.1-44.4175.2-172.220.7000111.7G184 D185 T192 H195 W472G184-N188 PolarHBondContact O-N 2.95Å; D185-N188 PolarHBondContact O-N 3.32Å; N188-T192 VanDerWaalsContact O-CA 3.26Å; N188-T192 WeakPolarHBondContact O-CA 3.45Å; N188-T192 VanDerWaalsContact O-CB 3.31Å; N188-T192 WeakPolarHBondContact O-CB 3.43Å; N188-T192 PolarHBondContact O-N 3.02Å; N188-T192 PolarHBondContact O-OG1 3.33Å; N188-H195 PolarHBondContact OD1-CD2 3.13Å; N188-W472 HydrophobicContact CB-CH2 3.62Å; N188-W472 HydrophobicContact CB-CZ2 3.72Å; N188-W472 HydrophobicContact CB-CZ3 4.18Å; N188-W472 VanDerWaalsContact ND2-CD2 3.34Å; N188-W472 VanDerWaalsContact ND2-CE3 3.32Å; N188-W472 WeakPolarHBondContact ND2-CZ3 3.43Å
189K87.4Confident88.2Confident130 Ų13031.8 Ų31.857%0.56516%0.164SC*.Hα-helixtrans-71.2-43.5-179.1-175.9169.5179.6173.90114.1D185 L186 A187D185-K189 WeakPolarHBondContact O-CB 3.01Å; D185-K189 PolarHBondContact O-N 3.01Å; L186-K189 PolarHBondContact O-N 3.22Å; A187-K189 PolarHBondContact O-N 2.74Å
190Y91.8Very high87.6Confident45 Ų4534.6 Ų34.618%0.17619%0.187CC..Hα-helixtrans-107.2-12.1-168.1-67-75.4000114.6L186 I245 K249 I299 R300 L301 I302L186-Y190 HydrophobicContact CB-CD2 4.37Å; L186-Y190 HydrophobicContact CD2-CD2 4.02Å; L186-Y190 HydrophobicContact CD2-CE2 3.72Å; L186-Y190 WeakPolarHBondContact O-CB 3.24Å; L186-Y190 WeakPolarHBondContact O-CD2 3.48Å; L186-Y190 PolarHBondContact O-N 3.18Å; Y190-I245 HydrophobicContact CD2-CD1 4.41Å; Y190-K249 WeakPolarHBondContact O-CE 3.38Å; Y190-K249 PolarHBondContact O-NZ 3.31Å; Y190-I299 HydrophobicContact CD1-CG2 3.96Å; Y190-I299 HydrophobicContact CG-CG2 4.24Å; Y190-R300 WeakPolarHBondContact CE1-O 3.19Å; Y190-R300 PolarHBondContact OH-O 2.98Å; Y190-L301 HydrophobicContact CD2-CD1 3.73Å; Y190-L301 HydrophobicContact CE2-CD1 3.56Å; Y190-L301 HydrophobicContact CG-CD1 4.36Å; Y190-I302 WeakPolarHBondContact OH-CG2 3.37Å; Y190-I302 PolarHBondContact OH-N 3.48Å
191C91.2Very high87.1Confident9 Ų935 Ų356%0.06119%0.189CC..SBendtrans-144.344.3177.7-164.30000111.8A187 A193 A194 H195 I245 K249A187-C191 CarbonylContact O-C 3.56Å; A187-C191 VanDerWaalsContact O-CA 3.27Å; A187-C191 WeakPolarHBondContact O-CA 3.46Å; A187-C191 PolarHBondContact O-N 3.23Å; C191-A193 PolarHBondContact O-N 3.04Å; C191-A194 PolarHBondContact O-N 3.49Å; C191-A194 WeakPolarHBondContact SG-CB 3.4Å; C191-H195 PolarHBondContact O-N 3.02Å; C191-I245 HydrophobicContact CB-CG2 4.04Å; C191-K249 HydrophobicContact CB-CG 4.17Å; C191-K249 WeakPolarHBondContact SG-CG 3.25Å
192T89.3Confident86.8Confident57 Ų5732.7 Ų32.735%0.3518%0.179SC..Hα-helixtrans-45.6-39.9-172.7-43.40000113.9A187 N188 H195 K196A187-T192 PolarHBondContact O-N 3.15Å; N188-T192 VanDerWaalsContact O-CA 3.26Å; N188-T192 WeakPolarHBondContact O-CA 3.45Å; N188-T192 VanDerWaalsContact O-CB 3.31Å; N188-T192 WeakPolarHBondContact O-CB 3.43Å; N188-T192 PolarHBondContact O-N 3.02Å; N188-T192 PolarHBondContact O-OG1 3.33Å; T192-H195 WeakPolarHBondContact O-CB 3.39Å; T192-H195 PolarHBondContact O-N 3.46Å; T192-K196 HydrophobicContact CG2-CD 4.27Å; T192-K196 HydrophobicContact CG2-CG 4.41Å; T192-K196 WeakPolarHBondContact O-CB 3.39Å; T192-K196 VanDerWaalsContact O-CG 3.3Å; T192-K196 WeakPolarHBondContact O-CG 3.32Å; T192-K196 PolarHBondContact O-N 2.61Å
193A89.2Confident86.1Confident34 Ų3437.1 Ų37.128%0.28120%0.199SC..Hα-helixtrans-80.6-21.1-175.600000114.3C191 L197 R252C191-A193 PolarHBondContact O-N 3.04Å; A193-L197 PolarHBondContact O-N 2.96Å; A193-R252 VanDerWaalsContact CB-NH2 3.29Å
194A90.9Very high85.1Confident1 Ų140.5 Ų40.51%0.00822%0.218CC..Hα-helixtrans-77.3-39.4165.300000109.9C191 L197 I198 L248 R252C191-A194 PolarHBondContact O-N 3.49Å; C191-A194 WeakPolarHBondContact SG-CB 3.4Å; A194-L197 WeakPolarHBondContact O-CB 3.48Å; A194-L197 PolarHBondContact O-N 3.06Å; A194-I198 WeakPolarHBondContact O-CG1 3.24Å; A194-I198 PolarHBondContact O-N 3.4Å; A194-L248 HydrophobicContact CB-CB 4.24Å; A194-R252 HydrophobicContact CB-CB 3.77Å; A194-R252 HydrophobicContact CB-CG 4.23Å
195H89.4Confident84.7Confident4 Ų441.7 Ų41.72%0.01922%0.223CC..Hα-helixtrans-58-49.2174.7179.664.6000111.7N188 C191 T192 L197 I198 V199 Y209 W472N188-H195 PolarHBondContact OD1-CD2 3.13Å; C191-H195 PolarHBondContact O-N 3.02Å; T192-H195 WeakPolarHBondContact O-CB 3.39Å; T192-H195 PolarHBondContact O-N 3.46Å; H195-L197 VanDerWaalsContact C-N 3.3Å; H195-L197 PolarHBondContact O-N 3.23Å; H195-I198 PolarHBondContact O-N 3.04Å; H195-I198 VanDerWaalsContact O-N 3.08Å; H195-V199 VanDerWaalsContact CE1-CG2 3.48Å; H195-V199 WeakPolarHBondContact CE1-CG2 3.37Å; H195-V199 VanDerWaalsContact NE2-CG2 3.33Å; H195-V199 WeakPolarHBondContact NE2-CG2 3.35Å; H195-V199 WeakPolarHBondContact O-CG2 3.43Å; H195-V199 PolarHBondContact O-N 2.69Å; H195-Y209 AromaticContact CE1-CE2 3.96Å; H195-Y209 AromaticContact ND1-CE2 3.58Å; H195-Y209 AromaticContact ND1-CZ 3.63Å; H195-Y209 PolarHBondContact ND1-OH 3Å; H195-W472 AromaticContact CE1-CE2 3.98Å; H195-W472 AromaticContact CE1-CZ2 3.4Å; H195-W472 VanDerWaalsContact CE1-CZ2 3.4Å; H195-W472 WeakPolarHBondContact CE1-CZ2 3.44Å; H195-W472 AromaticContact CE1-NE1 3.97Å; H195-W472 AromaticContact NE2-CE2 3.35Å; H195-W472 VanDerWaalsContact NE2-CE2 3.35Å; H195-W472 AromaticContact NE2-CZ2 3.17Å; H195-W472 WeakPolarHBondContact NE2-CZ2 3.21Å; H195-W472 AromaticContact NE2-NE1 3.14Å; H195-W472 PolarHBondContact NE2-NE1 2.84Å; H195-W472 VanDerWaalsContact NE2-NE1 3.14Å
196K84.8Confident84.3Confident141 Ų14143.2 Ų43.261%0.61323%0.234SC*.Hα-helixtrans-58.5-38.4174.8-76.5-179.3176.6-171.50113.1T192 I198 A200T192-K196 HydrophobicContact CG2-CD 4.27Å; T192-K196 HydrophobicContact CG2-CG 4.41Å; T192-K196 WeakPolarHBondContact O-CB 3.39Å; T192-K196 VanDerWaalsContact O-CG 3.3Å; T192-K196 WeakPolarHBondContact O-CG 3.32Å; T192-K196 PolarHBondContact O-N 2.61Å; K196-I198 VanDerWaalsContact C-N 3.35Å; K196-A200 VanDerWaalsContact O-CB 3.23Å; K196-A200 WeakPolarHBondContact O-CB 3.32Å; K196-A200 PolarHBondContact O-N 2.93Å
197L86.6Confident83.9Confident45 Ų4546.4 Ų46.424%0.23625%0.249CC..Hα-helixtrans-61.5-45.5174.7176.166.6000110.7A193 A194 H195 A200 T201 K255A193-L197 PolarHBondContact O-N 2.96Å; A194-L197 WeakPolarHBondContact O-CB 3.48Å; A194-L197 PolarHBondContact O-N 3.06Å; H195-L197 VanDerWaalsContact C-N 3.3Å; H195-L197 PolarHBondContact O-N 3.23Å; L197-A200 PolarHBondContact O-N 3.01Å; L197-T201 HydrophobicContact CD1-CG2 4.32Å; L197-T201 WeakPolarHBondContact O-CB 3.28Å; L197-T201 WeakPolarHBondContact O-CG2 3.48Å; L197-T201 PolarHBondContact O-N 3.1Å; L197-T201 VanDerWaalsContact O-N 3.16Å; L197-T201 PolarHBondContact O-OG1 2.75Å; L197-K255 HydrophobicContact CD2-CB 4.12Å; L197-K255 HydrophobicContact CD2-CG 4.4Å
198I85.8Confident83.5Confident1 Ų146.4 Ų46.41%0.00525%0.249CC..Hα-helixtrans-66.8-45.4178.6-65.4170.6000110.6A194 H195 K196 A200 T201 A202 V205 V208 Y209 L248 I276A194-I198 WeakPolarHBondContact O-CG1 3.24Å; A194-I198 PolarHBondContact O-N 3.4Å; H195-I198 PolarHBondContact O-N 3.04Å; H195-I198 VanDerWaalsContact O-N 3.08Å; K196-I198 VanDerWaalsContact C-N 3.35Å; I198-A200 VanDerWaalsContact C-N 3.29Å; I198-A200 PolarHBondContact O-N 2.9Å; I198-T201 PolarHBondContact O-N 3.31Å; I198-T201 VanDerWaalsContact O-N 3.09Å; I198-T201 PolarHBondContact O-OG1 3.3Å; I198-A202 HydrophobicContact CG2-CB 4.23Å; I198-A202 VanDerWaalsContact O-CB 3.25Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 2.99Å; I198-V205 HydrophobicContact CG2-CG1 4.11Å; I198-V205 HydrophobicContact CG2-CG2 4.44Å; I198-V208 HydrophobicContact CG2-CB 4.32Å; I198-V208 HydrophobicContact CG2-CG1 4.06Å; I198-V208 HydrophobicContact CG2-CG2 4.45Å; I198-Y209 HydrophobicContact CD1-CE1 3.74Å; I198-Y209 HydrophobicContact CG2-CE1 4.44Å; I198-L248 HydrophobicContact CD1-CD2 3.85Å; I198-I276 HydrophobicContact CD1-CD1 4.15Å
199V80.7Confident83.5Confident58 Ų5844.9 Ų44.935%0.35224%0.24SC..Hα-helixtrans-58.9-39.4175.5172.70000112.1H195 T201 V205H195-V199 VanDerWaalsContact CE1-CG2 3.48Å; H195-V199 WeakPolarHBondContact CE1-CG2 3.37Å; H195-V199 VanDerWaalsContact NE2-CG2 3.33Å; H195-V199 WeakPolarHBondContact NE2-CG2 3.35Å; H195-V199 WeakPolarHBondContact O-CG2 3.43Å; H195-V199 PolarHBondContact O-N 2.69Å; V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 PolarHBondContact O-N 3.38Å; V199-V205 HydrophobicContact CB-CG2 4.4Å; V199-V205 HydrophobicContact CG2-CG2 3.97Å
200A79Confident83.6Confident59 Ų5939.6 Ų39.649%0.48822%0.221SC..Hα-helixtrans-71.6-23.617900000113K196 L197 I198K196-A200 VanDerWaalsContact O-CB 3.23Å; K196-A200 WeakPolarHBondContact O-CB 3.32Å; K196-A200 PolarHBondContact O-N 2.93Å; L197-A200 PolarHBondContact O-N 3.01Å; I198-A200 VanDerWaalsContact C-N 3.29Å; I198-A200 PolarHBondContact O-N 2.9Å
201T80.3Confident83.5Confident10 Ų1038.3 Ų38.36%0.06122%0.217CC..Hα-helixtrans-107.5-33.3-171.950.30000113.9L197 I198 V199 Q264 R266 L267 I272L197-T201 HydrophobicContact CD1-CG2 4.32Å; L197-T201 WeakPolarHBondContact O-CB 3.28Å; L197-T201 WeakPolarHBondContact O-CG2 3.48Å; L197-T201 PolarHBondContact O-N 3.1Å; L197-T201 VanDerWaalsContact O-N 3.16Å; L197-T201 PolarHBondContact O-OG1 2.75Å; I198-T201 PolarHBondContact O-N 3.31Å; I198-T201 VanDerWaalsContact O-N 3.09Å; I198-T201 PolarHBondContact O-OG1 3.3Å; V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 PolarHBondContact O-N 3.38Å; T201-Q264 HydrophobicContact CG2-CG 3.64Å; T201-R266 CarbonylContact O-C 3.56Å; T201-R266 WeakPolarHBondContact O-CA 3.11Å; T201-L267 PolarHBondContact O-N 2.83Å; T201-I272 VanDerWaalsContact C-CD1 3.46Å
202A76.3Confident83.7Confident3 Ų337.9 Ų37.93%0.02521%0.214CC..BIsolated β-bridgetrans-85.5148.2-175.800000112.5I198 V205 V208 I272I198-A202 HydrophobicContact CG2-CB 4.23Å; I198-A202 VanDerWaalsContact O-CB 3.25Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 2.99Å; A202-V205 HydrophobicContact CB-CG2 4.28Å; A202-V208 HydrophobicContact CB-CG2 4.01Å; A202-I272 HydrophobicContact CB-CD1 3.53Å
203Q73.9Confident84Confident92 Ų9235.3 Ų35.343%0.4320%0.198SC..SBendtrans-77-39169-69.6-179.28.900111.6S269Q203-S269 PolarHBondContact N-OG 2.77Å
204D73.1Confident84.2Confident72 Ų7237.5 Ų37.539%0.38520%0.199SC..  trans-133.6114.4176-171.9-21.2000109.9V206 E207 S269D204-V206 WeakPolarHBondContact OD1-CA 3.46Å; D204-V206 WeakPolarHBondContact OD1-CB 3.45Å; D204-V206 PolarHBondContact OD1-N 3.03Å; D204-E207 HydrophobicContact CB-CB 3.99Å; D204-E207 PolarHBondContact OD1-N 3.31Å; D204-S269 PolarHBondContact N-OG 3Å; D204-S269 PolarHBondContact O-OG 3.11Å
205V77.6Confident84.5Confident32 Ų3237.5 Ų37.519%0.19420%0.199CC..Hα-helixtrans-78.4-30.2-179.1179.90000111.7I198 V199 A202 E207 V208 Y209I198-V205 HydrophobicContact CG2-CG1 4.11Å; I198-V205 HydrophobicContact CG2-CG2 4.44Å; V199-V205 HydrophobicContact CB-CG2 4.4Å; V199-V205 HydrophobicContact CG2-CG2 3.97Å; A202-V205 HydrophobicContact CB-CG2 4.28Å; V205-E207 VanDerWaalsContact C-N 3.32Å; V205-V208 PolarHBondContact O-N 2.72Å; V205-Y209 HydrophobicContact CG1-CD2 3.78Å; V205-Y209 HydrophobicContact CG1-CE2 3.48Å; V205-Y209 VanDerWaalsContact CG1-CE2 3.48Å; V205-Y209 HydrophobicContact CG1-CG 4.45Å; V205-Y209 PolarHBondContact O-N 2.89Å
206V75.3Confident84.8Confident76 Ų7637.3 Ų37.346%0.46120%0.198SC..Hα-helixtrans-65.6-43.4178.2-179.80000108.9D204 V208 Y209 A210D204-V206 WeakPolarHBondContact OD1-CA 3.46Å; D204-V206 WeakPolarHBondContact OD1-CB 3.45Å; D204-V206 PolarHBondContact OD1-N 3.03Å; V206-V208 VanDerWaalsContact C-N 3.27Å; V206-V208 PolarHBondContact O-N 3.24Å; V206-Y209 CarbonylContact O-C 3.53Å; V206-Y209 PolarHBondContact O-N 3.18Å; V206-Y209 VanDerWaalsContact O-N 3.08Å; V206-A210 PolarHBondContact O-N 3.09Å
207E79.3Confident85.2Confident68 Ų6830.7 Ų30.732%0.31817%0.17SC..Hα-helixtrans-59.3-38.6175.6-157.1-151.3141.400112.2D204 V205 A210 S269 R273D204-E207 HydrophobicContact CB-CB 3.99Å; D204-E207 PolarHBondContact OD1-N 3.31Å; V205-E207 VanDerWaalsContact C-N 3.32Å; E207-A210 WeakPolarHBondContact O-CB 3.46Å; E207-A210 PolarHBondContact O-N 3.44Å; E207-S269 WeakPolarHBondContact OE2-CB 3.34Å; E207-R273 WeakPolarHBondContact O-CD 3.35Å; E207-R273 PolarHBondContact O-NE 3.47Å; E207-R273 IonicContact OE1-CZ 2.69Å; E207-R273 IonicContact OE1-NH1 3.65Å; E207-R273 PolarHBondContact OE1-NH1 3.4Å
208V83.8Confident85.5Confident0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-65.6-43.7174.7177.30000111.2I198 A202 V205 V206 A210 W215 I272 R273 I276I198-V208 HydrophobicContact CG2-CB 4.32Å; I198-V208 HydrophobicContact CG2-CG1 4.06Å; I198-V208 HydrophobicContact CG2-CG2 4.45Å; A202-V208 HydrophobicContact CB-CG2 4.01Å; V205-V208 PolarHBondContact O-N 2.72Å; V206-V208 VanDerWaalsContact C-N 3.27Å; V206-V208 PolarHBondContact O-N 3.24Å; V208-A210 VanDerWaalsContact C-N 3.31Å; V208-A210 PolarHBondContact O-N 3.44Å; V208-W215 HydrophobicContact CG1-CZ2 4.28Å; V208-W215 VanDerWaalsContact O-CZ2 3.23Å; V208-W215 WeakPolarHBondContact O-CZ2 3.43Å; V208-I272 HydrophobicContact CG1-CG2 4.08Å; V208-I272 HydrophobicContact CG2-CB 4.24Å; V208-I272 HydrophobicContact CG2-CG2 4.09Å; V208-R273 HydrophobicContact CB-CG 4.38Å; V208-R273 HydrophobicContact CG2-CG 4.2Å; V208-I276 HydrophobicContact CG1-CD1 3.73Å
209Y88.9Confident85.9Confident5 Ų529.9 Ų29.92%0.0217%0.169CC..Hα-helixtrans-77.5-12.6-178.9-70.1-15.7000114.3F183 G184 A187 H195 I198 V205 V206 D211 W212 W215 L248F183-Y209 HydrophobicContact CD1-CD1 4.07Å; F183-Y209 HydrophobicContact CD1-CD2 4.43Å; F183-Y209 AromaticContact CD1-CG 3.92Å; F183-Y209 HydrophobicContact CD1-CG 3.92Å; F183-Y209 AromaticContact CE1-CD1 3.74Å; F183-Y209 HydrophobicContact CE1-CD1 3.74Å; F183-Y209 HydrophobicContact CE1-CE1 4.11Å; F183-Y209 HydrophobicContact CE1-CG 4.09Å; G184-Y209 VanDerWaalsContact CA-CD2 3.47Å; A187-Y209 HydrophobicContact CB-CE2 4.21Å; H195-Y209 AromaticContact CE1-CE2 3.96Å; H195-Y209 AromaticContact ND1-CE2 3.58Å; H195-Y209 AromaticContact ND1-CZ 3.63Å; H195-Y209 PolarHBondContact ND1-OH 3Å; I198-Y209 HydrophobicContact CD1-CE1 3.74Å; I198-Y209 HydrophobicContact CG2-CE1 4.44Å; V205-Y209 HydrophobicContact CG1-CD2 3.78Å; V205-Y209 HydrophobicContact CG1-CE2 3.48Å; V205-Y209 VanDerWaalsContact CG1-CE2 3.48Å; V205-Y209 HydrophobicContact CG1-CG 4.45Å; V205-Y209 PolarHBondContact O-N 2.89Å; V206-Y209 CarbonylContact O-C 3.53Å; V206-Y209 PolarHBondContact O-N 3.18Å; V206-Y209 VanDerWaalsContact O-N 3.08Å; Y209-D211 PolarHBondContact O-N 2.93Å; Y209-W212 WeakPolarHBondContact O-CB 3.47Å; Y209-W212 PolarHBondContact O-N 2.66Å; Y209-W212 VanDerWaalsContact O-N 3.1Å; Y209-W215 AromaticContact CD1-CH2 3.82Å; Y209-W215 HydrophobicContact CD1-CH2 3.82Å; Y209-W215 HydrophobicContact CE1-CH2 4.21Å; Y209-L248 HydrophobicContact CE1-CD1 4.23Å
210A87.6Confident86.7Confident19 Ų1927.2 Ų27.216%0.15715%0.152CC..Hα-helixtrans-54.1-36.1172.100000111.5Y176 V206 E207 V208 W212Y176-A210 PolarHBondContact OH-O 2.73Å; V206-A210 PolarHBondContact O-N 3.09Å; E207-A210 WeakPolarHBondContact O-CB 3.46Å; E207-A210 PolarHBondContact O-N 3.44Å; V208-A210 VanDerWaalsContact C-N 3.31Å; V208-A210 PolarHBondContact O-N 3.44Å; A210-W212 VanDerWaalsContact C-N 3.27Å; A210-W212 PolarHBondContact O-N 3.06Å
211D90.9Very high87.5Confident18 Ų1826.1 Ų26.110%0.09614%0.14CC..THydrogen-bonded Turntrans-80.44.8-178.1-68.5-30.9000114.8Y209 Q213 R214 W215 R273Y209-D211 PolarHBondContact O-N 2.93Å; D211-Q213 VanDerWaalsContact C-N 3.27Å; D211-Q213 PolarHBondContact O-N 2.65Å; D211-Q213 VanDerWaalsContact O-N 3.14Å; D211-R214 HydrophobicContact CB-CB 4.5Å; D211-R214 CarbonylContact O-C 3.55Å; D211-R214 WeakPolarHBondContact O-CA 3.31Å; D211-R214 WeakPolarHBondContact O-CB 3.38Å; D211-R214 PolarHBondContact O-N 3.01Å; D211-W215 VanDerWaalsContact CB-NE1 3.27Å; D211-W215 VanDerWaalsContact O-CG 3.27Å; D211-W215 PolarHBondContact O-N 3.42Å; D211-R273 IonicContact OD1-CZ 3.51Å; D211-R273 IonicContact OD1-NE 2.71Å; D211-R273 IonicContact OD1-NH2 2.83Å; D211-R273 PolarHBondContact OD1-NH2 3.46Å; D211-R273 IonicContact OD2-CZ 3.19Å; D211-R273 VanDerWaalsContact OD2-CZ 3.3Å; D211-R273 IonicContact OD2-NE 2.84Å; D211-R273 PolarHBondContact OD2-NE 2.92Å; D211-R273 IonicContact OD2-NH2 3.65Å; D211-R273 PolarHBondContact OD2-NH2 3.27Å
212W95.4Very high88.2Confident0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-58.3-34.3-171.181.2-87.7000114.2S179 F183 Y209 A210 W215 Y237 L240 Y241 A244S179-W212 PolarHBondContact OG-NE1 3.24Å; F183-W212 HydrophobicContact CB-CB 4.32Å; F183-W212 HydrophobicContact CB-CD2 4Å; F183-W212 HydrophobicContact CB-CG 3.81Å; F183-W212 HydrophobicContact CD1-CB 3.36Å; F183-W212 AromaticContact CD1-CG 3.82Å; F183-W212 HydrophobicContact CD1-CG 3.82Å; F183-W212 HydrophobicContact CD2-CB 4.26Å; F183-W212 HydrophobicContact CD2-CD2 4.32Å; F183-W212 HydrophobicContact CD2-CE3 4.27Å; F183-W212 HydrophobicContact CD2-CG 4.34Å; F183-W212 HydrophobicContact CE1-CB 3.61Å; F183-W212 HydrophobicContact CE1-CG 4.5Å; F183-W212 HydrophobicContact CE2-CB 4.47Å; F183-W212 HydrophobicContact CG-CB 3.7Å; F183-W212 HydrophobicContact CG-CD2 4.04Å; F183-W212 HydrophobicContact CG-CE3 4.45Å; F183-W212 AromaticContact CG-CG 3.7Å; F183-W212 HydrophobicContact CG-CG 3.7Å; F183-W212 HydrophobicContact CZ-CB 4.16Å; Y209-W212 WeakPolarHBondContact O-CB 3.47Å; Y209-W212 PolarHBondContact O-N 2.66Å; Y209-W212 VanDerWaalsContact O-N 3.1Å; A210-W212 VanDerWaalsContact C-N 3.27Å; A210-W212 PolarHBondContact O-N 3.06Å; W212-W215 HydrophobicContact CB-CE3 4.22Å; W212-W215 HydrophobicContact CB-CZ3 4.39Å; W212-W215 WeakPolarHBondContact O-CB 3.26Å; W212-Y237 AromaticContact CH2-CE1 3.83Å; W212-Y237 HydrophobicContact CH2-CE1 3.83Å; W212-Y237 AromaticContact CH2-CZ 3.8Å; W212-Y237 HydrophobicContact CZ2-CE1 4.12Å; W212-Y237 WeakPolarHBondContact CZ2-OH 3.15Å; W212-L240 HydrophobicContact CH2-CB 4.27Å; W212-L240 HydrophobicContact CZ3-CB 3.79Å; W212-Y241 HydrophobicContact CD2-CE1 4.39Å; W212-Y241 HydrophobicContact CE3-CD1 4.18Å; W212-Y241 HydrophobicContact CE3-CE1 4.26Å; W212-Y241 AromaticContact CH2-CD1 3.79Å; W212-Y241 HydrophobicContact CH2-CD1 3.79Å; W212-Y241 AromaticContact CH2-CE1 3.41Å; W212-Y241 HydrophobicContact CH2-CE1 3.41Å; W212-Y241 VanDerWaalsContact CH2-CE1 3.41Å; W212-Y241 HydrophobicContact CH2-CE2 4.41Å; W212-Y241 HydrophobicContact CH2-CG 4.43Å; W212-Y241 AromaticContact CH2-CZ 3.76Å; W212-Y241 HydrophobicContact CZ2-CD1 4.32Å; W212-Y241 AromaticContact CZ2-CE1 3.54Å; W212-Y241 HydrophobicContact CZ2-CE1 3.54Å; W212-Y241 AromaticContact CZ2-CZ 3.87Å; W212-Y241 AromaticContact CZ3-CD1 3.7Å; W212-Y241 HydrophobicContact CZ3-CD1 3.7Å; W212-Y241 AromaticContact CZ3-CE1 3.79Å; W212-Y241 HydrophobicContact CZ3-CE1 3.79Å; W212-Y241 HydrophobicContact CZ3-CG 4.37Å; W212-A244 HydrophobicContact CE3-CB 4.08Å
213Q94.9Very high89.1Confident4 Ų428.8 Ų28.82%0.01916%0.159CC..Hα-helixtrans-70.1-42.4175.2-62.4-172.419.600110.7S133 D170 Y176 S179 D211 W215 V216 L217 Y237S133-Q213 PolarHBondContact OG-OE1 3.39Å; D170-Q213 PolarHBondContact OD2-NE2 2.64Å; Y176-Q213 HydrophobicContact CE2-CG 4.41Å; S179-Q213 PolarHBondContact OG-NE2 2.88Å; D211-Q213 VanDerWaalsContact C-N 3.27Å; D211-Q213 PolarHBondContact O-N 2.65Å; D211-Q213 VanDerWaalsContact O-N 3.14Å; Q213-W215 VanDerWaalsContact C-N 3.33Å; Q213-W215 PolarHBondContact O-N 2.79Å; Q213-V216 PolarHBondContact O-N 2.97Å; Q213-L217 PolarHBondContact O-N 3.3Å; Q213-Y237 VanDerWaalsContact CD-OH 3.27Å; Q213-Y237 PolarHBondContact NE2-OH 2.82Å
214R94.1Very high90.2Very high80 Ų8024.8 Ų24.830%0.30214%0.141SC..Hα-helixtrans-63.5-39179-177.3-178.4176.8162.84.6111.6D211 V216 G218 D219 Q277D211-R214 HydrophobicContact CB-CB 4.5Å; D211-R214 CarbonylContact O-C 3.55Å; D211-R214 WeakPolarHBondContact O-CA 3.31Å; D211-R214 WeakPolarHBondContact O-CB 3.38Å; D211-R214 PolarHBondContact O-N 3.01Å; R214-V216 PolarHBondContact O-N 3.5Å; R214-G218 CarbonylContact O-C 3.04Å; R214-G218 VanDerWaalsContact O-CA 3.31Å; R214-G218 WeakPolarHBondContact O-CA 3.22Å; R214-G218 PolarHBondContact O-N 3.49Å; R214-D219 IonicContact NE-OD1 4Å; R214-D219 IonicContact NE-OD2 3.95Å; R214-D219 PolarHBondContact O-N 3.48Å; R214-Q277 VanDerWaalsContact NH2-NE2 3.14Å
215W96.4Very high91.3Very high1 Ų121.4 Ų21.40%0.00412%0.123CC..Hα-helixtrans-51.9-40.8173.7-67.5-3.8000112.6F183 V208 Y209 D211 W212 Q213 L247 L248 I276 I280F183-W215 HydrophobicContact CE1-CE3 4.29Å; F183-W215 HydrophobicContact CE1-CH2 4.03Å; F183-W215 AromaticContact CE1-CZ3 3.46Å; F183-W215 HydrophobicContact CE1-CZ3 3.46Å; F183-W215 VanDerWaalsContact CE1-CZ3 3.46Å; F183-W215 HydrophobicContact CZ-CE3 4.25Å; F183-W215 AromaticContact CZ-CZ3 3.64Å; F183-W215 HydrophobicContact CZ-CZ3 3.64Å; V208-W215 HydrophobicContact CG1-CZ2 4.28Å; V208-W215 VanDerWaalsContact O-CZ2 3.23Å; V208-W215 WeakPolarHBondContact O-CZ2 3.43Å; Y209-W215 AromaticContact CD1-CH2 3.82Å; Y209-W215 HydrophobicContact CD1-CH2 3.82Å; Y209-W215 HydrophobicContact CE1-CH2 4.21Å; D211-W215 VanDerWaalsContact CB-NE1 3.27Å; D211-W215 VanDerWaalsContact O-CG 3.27Å; D211-W215 PolarHBondContact O-N 3.42Å; W212-W215 HydrophobicContact CB-CE3 4.22Å; W212-W215 HydrophobicContact CB-CZ3 4.39Å; W212-W215 WeakPolarHBondContact O-CB 3.26Å; Q213-W215 VanDerWaalsContact C-N 3.33Å; Q213-W215 PolarHBondContact O-N 2.79Å; W215-L247 HydrophobicContact CB-CD1 4.39Å; W215-L248 HydrophobicContact CH2-CD2 3.97Å; W215-L248 HydrophobicContact CZ3-CD1 4.28Å; W215-L248 HydrophobicContact CZ3-CD2 3.71Å; W215-L248 HydrophobicContact CZ3-CG 3.95Å; W215-I276 HydrophobicContact CD2-CG2 4.11Å; W215-I276 HydrophobicContact CH2-CD1 4.24Å; W215-I276 HydrophobicContact CH2-CG2 4.37Å; W215-I276 HydrophobicContact CZ2-CD1 4.03Å; W215-I276 HydrophobicContact CZ2-CG2 3.85Å; W215-I280 HydrophobicContact CB-CD1 3.51Å; W215-I280 HydrophobicContact CD2-CD1 4Å; W215-I280 HydrophobicContact CG-CD1 3.48Å; W215-I280 VanDerWaalsContact CG-CD1 3.48Å; W215-I280 WeakPolarHBondContact O-CG2 3.49Å
216V96.6Very high92.1Very high0 Ų019.9 Ų19.90%011%0.113CC..Hα-helixtrans-86.9-62.9-179.3-174.50000110Q213 R214 G218 L220 M225 V228 L240 V243 A244 L247Q213-V216 PolarHBondContact O-N 2.97Å; R214-V216 PolarHBondContact O-N 3.5Å; V216-G218 PolarHBondContact O-N 3.48Å; V216-L220 HydrophobicContact CG1-CD1 4.19Å; V216-L220 WeakPolarHBondContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CD1 3.33Å; V216-M225 HydrophobicContact CG1-SD 4.33Å; V216-V228 HydrophobicContact CG1-CG1 3.91Å; V216-L240 HydrophobicContact CG1-CD2 3.8Å; V216-V243 HydrophobicContact CG1-CB 4.19Å; V216-V243 HydrophobicContact CG1-CG1 3.91Å; V216-V243 HydrophobicContact CG2-CB 4.29Å; V216-V243 HydrophobicContact CG2-CG1 4.11Å; V216-A244 HydrophobicContact CG2-CB 3.83Å; V216-L247 HydrophobicContact CG2-CD1 4.21Å
217L93.4Very high93.2Very high2 Ų216.8 Ų16.81%0.019%0.093CC..Hα-helixtrans-76.5-23.6-167.7-65.9178000114.1Y104 A136 Q213 M225 L240Y104-L217 PolarHBondContact OH-O 2.93Å; A136-L217 HydrophobicContact CB-CB 4.3Å; A136-L217 VanDerWaalsContact CB-O 3.3Å; A136-L217 WeakPolarHBondContact CB-O 3.28Å; Q213-L217 PolarHBondContact O-N 3.3Å; L217-M225 HydrophobicContact CD2-CE 3.49Å; L217-M225 VanDerWaalsContact CD2-CE 3.49Å; L217-M225 HydrophobicContact CD2-SD 4.27Å; L217-L240 HydrophobicContact CD1-CD1 4.02Å; L217-L240 HydrophobicContact CD2-CD1 4.35Å; L217-L240 HydrophobicContact CD2-CD2 3.83Å; L217-L240 HydrophobicContact CG-CD1 4.28Å; L217-L240 HydrophobicContact CG-CD2 4.35Å
218G91.6Very high94.1Very high14 Ų1413.6 Ų13.614%0.1448%0.079CC..THydrogen-bonded Turntrans-110.4-55.3-173.400000113.6Y104 R214 V216Y104-G218 VanDerWaalsContact OH-CA 3.28Å; Y104-G218 WeakPolarHBondContact OH-CA 3.48Å; Y104-G218 PolarHBondContact OH-O 3.41Å; R214-G218 CarbonylContact O-C 3.04Å; R214-G218 VanDerWaalsContact O-CA 3.31Å; R214-G218 WeakPolarHBondContact O-CA 3.22Å; R214-G218 PolarHBondContact O-N 3.49Å; V216-G218 PolarHBondContact O-N 3.48Å
219D95.2Very high94.7Very high14 Ų1413.6 Ų13.68%0.0758%0.079CC..THydrogen-bonded Turntrans-86.8-15.6-167.1-70-34.7000114.4R214 Q277 I280 K281R214-D219 IonicContact NE-OD1 4Å; R214-D219 IonicContact NE-OD2 3.95Å; R214-D219 PolarHBondContact O-N 3.48Å; D219-Q277 VanDerWaalsContact CG-NE2 3.32Å; D219-Q277 PolarHBondContact OD1-NE2 3.1Å; D219-Q277 WeakPolarHBondContact OD2-CG 3.41Å; D219-Q277 PolarHBondContact OD2-NE2 3.32Å; D219-I280 HydrophobicContact CB-CG2 3.96Å; D219-K281 HydrophobicContact CB-CG 4.12Å; D219-K281 WeakPolarHBondContact O-CG 3.32Å; D219-K281 WeakPolarHBondContact OD1-CE 3.23Å; D219-K281 IonicContact OD1-NZ 3.01Å
220L96.4Very high95.1Very high2 Ų213.3 Ų13.31%0.018%0.078CC..SBendtrans-63.2141.2175.1-86.4177.5000111.3V216 H224 M225 V228 V243 L247 I280 I283 L292V216-L220 HydrophobicContact CG1-CD1 4.19Å; V216-L220 WeakPolarHBondContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CD1 3.33Å; L220-H224 HydrophobicContact CB-CB 4.45Å; L220-H224 HydrophobicContact CD2-CB 4.08Å; L220-M225 HydrophobicContact CB-CB 4.07Å; L220-M225 HydrophobicContact CD1-SD 4.31Å; L220-V228 HydrophobicContact CD1-CG2 4.18Å; L220-V243 HydrophobicContact CD1-CG1 4.16Å; L220-L247 HydrophobicContact CD2-CD1 4.39Å; L220-L247 HydrophobicContact CD2-CD2 3.99Å; L220-L247 HydrophobicContact CG-CD1 4.46Å; L220-I280 HydrophobicContact CD2-CG2 4.03Å; L220-I280 HydrophobicContact CG-CG2 4.26Å; L220-I283 HydrophobicContact CD2-CG2 4.03Å; L220-L292 HydrophobicContact CD1-CD2 4.23Å; L220-L292 HydrophobicContact CD2-CD2 4.11Å
221P95.9Very high95.5Very high36 Ų3612.4 Ų12.423%0.2347%0.07CC..  trans-56.6147.2169.3-22.432.5000111.3A223 H224 M225 I283P221-A223 VanDerWaalsContact C-N 3.32Å; P221-A223 PolarHBondContact O-N 3.01Å; P221-H224 WeakPolarHBondContact O-CB 3.5Å; P221-H224 PolarHBondContact O-N 3.28Å; P221-M225 PolarHBondContact O-N 2.81Å; P221-I283 HydrophobicContact CG-CG2 4.06Å
222F95.4Very high95.8Very high21 Ų2111.6 Ų11.69%0.0927%0.066CC..Hα-helixtrans-53.5-45.1-172.8-179.4-105.9000113.4M15 L18 Y104 C105 L140 H143 F144 H224 M225 V226M15-F222 HydrophobicContact CE-CE1 4Å; M15-F222 HydrophobicContact CE-CZ 4.16Å; M15-F222 HydrophobicContact SD-CD1 4.14Å; M15-F222 HydrophobicContact SD-CE1 3.27Å; M15-F222 WeakPolarHBondContact SD-CE1 3.46Å; M15-F222 HydrophobicContact SD-CZ 3.71Å; L18-F222 HydrophobicContact CD1-CD1 4.2Å; L18-F222 HydrophobicContact CD1-CE1 3.82Å; Y104-F222 HydrophobicContact CD1-CB 4.03Å; Y104-F222 HydrophobicContact CD1-CD2 4.1Å; Y104-F222 HydrophobicContact CD2-CD2 4.41Å; Y104-F222 HydrophobicContact CG-CB 4.44Å; Y104-F222 AromaticContact CG-CD2 3.79Å; Y104-F222 HydrophobicContact CG-CD2 3.79Å; C105-F222 HydrophobicContact CB-CE1 4.5Å; C105-F222 WeakPolarHBondContact SG-CD1 3.48Å; L140-F222 HydrophobicContact CD2-CD2 4.32Å; L140-F222 HydrophobicContact CD2-CE2 4.31Å; H143-F222 HydrophobicContact CB-CE2 4.41Å; H143-F222 HydrophobicContact CB-CZ 4.31Å; H143-F222 AromaticContact CD2-CE2 3.42Å; H143-F222 VanDerWaalsContact CD2-CE2 3.42Å; H143-F222 WeakPolarHBondContact CD2-CE2 3.43Å; H143-F222 AromaticContact CD2-CZ 3.48Å; H143-F222 VanDerWaalsContact CD2-CZ 3.48Å; H143-F222 WeakPolarHBondContact CD2-CZ 3.47Å; H143-F222 AromaticContact CE1-CE2 3.78Å; H143-F222 AromaticContact CG-CE2 3.71Å; H143-F222 AromaticContact CG-CZ 3.91Å; H143-F222 AromaticContact ND1-CE2 3.92Å; H143-F222 AromaticContact NE2-CE2 3.47Å; H143-F222 WeakPolarHBondContact NE2-CE2 3.5Å; H143-F222 AromaticContact NE2-CZ 3.96Å; F144-F222 HydrophobicContact CZ-CZ 4.23Å; F222-H224 VanDerWaalsContact C-N 3.28Å; F222-H224 PolarHBondContact O-N 3.24Å; F222-M225 PolarHBondContact O-N 3.25Å; F222-M225 VanDerWaalsContact O-N 3.15Å; F222-V226 HydrophobicContact CD1-CG2 4.05Å; F222-V226 HydrophobicContact CD2-CG2 3.78Å; F222-V226 HydrophobicContact CE1-CG2 3.66Å; F222-V226 HydrophobicContact CE2-CG2 3.39Å; F222-V226 HydrophobicContact CG-CG2 4.12Å; F222-V226 HydrophobicContact CZ-CG2 3.34Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.04Å
223A94.9Very high95.8Very high48 Ų4812.8 Ų12.840%0.3977%0.072SC..Hα-helixtrans-58.2-38.3178.700000113.1P221 R227 P289P221-A223 VanDerWaalsContact C-N 3.32Å; P221-A223 PolarHBondContact O-N 3.01Å; A223-R227 WeakPolarHBondContact O-CG 3.22Å; A223-P289 HydrophobicContact CB-CG 4.23Å
224H97Very high95.7Very high9 Ų913.1 Ų13.14%0.0427%0.074CC..Hα-helixtrans-71.6-46.8175.2-60.765.9000110.7L220 P221 F222 V226 R227 V228 V287 L292L220-H224 HydrophobicContact CB-CB 4.45Å; L220-H224 HydrophobicContact CD2-CB 4.08Å; P221-H224 WeakPolarHBondContact O-CB 3.5Å; P221-H224 PolarHBondContact O-N 3.28Å; F222-H224 VanDerWaalsContact C-N 3.28Å; F222-H224 PolarHBondContact O-N 3.24Å; H224-V226 PolarHBondContact O-N 2.83Å; H224-R227 PolarHBondContact O-N 2.91Å; H224-V228 WeakPolarHBondContact O-CG2 3.44Å; H224-V228 PolarHBondContact O-N 3.14Å; H224-V287 PolarHBondContact NE2-O 2.71Å; H224-L292 HydrophobicContact CB-CD2 4.33Å
225M96.3Very high95.6Very high0 Ų010.3 Ų10.30%06%0.064CC..Hα-helixtrans-65.7-41.2-174.6-171.751-131.900112L140 V216 L217 L220 P221 F222 R227 V228 L229L140-M225 HydrophobicContact CD1-CE 3.8Å; L140-M225 HydrophobicContact CD1-CG 3.58Å; L140-M225 HydrophobicContact CD1-SD 4.36Å; L140-M225 HydrophobicContact CD2-CB 4.36Å; L140-M225 HydrophobicContact CD2-CG 3.76Å; L140-M225 HydrophobicContact CG-CG 4.31Å; V216-M225 HydrophobicContact CG1-SD 4.33Å; L217-M225 HydrophobicContact CD2-CE 3.49Å; L217-M225 VanDerWaalsContact CD2-CE 3.49Å; L217-M225 HydrophobicContact CD2-SD 4.27Å; L220-M225 HydrophobicContact CB-CB 4.07Å; L220-M225 HydrophobicContact CD1-SD 4.31Å; P221-M225 PolarHBondContact O-N 2.81Å; F222-M225 PolarHBondContact O-N 3.25Å; F222-M225 VanDerWaalsContact O-N 3.15Å; M225-R227 VanDerWaalsContact C-N 3.28Å; M225-R227 PolarHBondContact O-N 2.78Å; M225-V228 HydrophobicContact CE-CB 4.01Å; M225-V228 HydrophobicContact CE-CG1 3.91Å; M225-V228 CarbonylContact O-C 3.46Å; M225-V228 WeakPolarHBondContact O-CA 3.47Å; M225-V228 WeakPolarHBondContact O-CB 3.38Å; M225-V228 PolarHBondContact O-N 2.88Å; M225-V228 HydrophobicContact SD-CB 4.13Å; M225-V228 HydrophobicContact SD-CG1 4.3Å; M225-L229 HydrophobicContact CE-CB 4.16Å; M225-L229 WeakPolarHBondContact O-CB 3.34Å; M225-L229 PolarHBondContact O-N 3.12Å
226V95.8Very high95.3Very high0 Ų010.3 Ų10.30%07%0.065CC..Hα-helixtrans-61.6-37.6176.1175.90000111.5R51 Y55 F144 F222 H224 V228 L229 D230R51-V226 VanDerWaalsContact CZ-CG1 3.47Å; R51-V226 VanDerWaalsContact NE-CG1 3.31Å; Y55-V226 PolarHBondContact OH-O 3.16Å; F144-V226 HydrophobicContact CE2-CG1 4.19Å; F144-V226 HydrophobicContact CE2-CG2 4.11Å; F144-V226 HydrophobicContact CZ-CG1 3.72Å; F144-V226 HydrophobicContact CZ-CG2 3.98Å; F222-V226 HydrophobicContact CD1-CG2 4.05Å; F222-V226 HydrophobicContact CD2-CG2 3.78Å; F222-V226 HydrophobicContact CE1-CG2 3.66Å; F222-V226 HydrophobicContact CE2-CG2 3.39Å; F222-V226 HydrophobicContact CG-CG2 4.12Å; F222-V226 HydrophobicContact CZ-CG2 3.34Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.04Å; H224-V226 PolarHBondContact O-N 2.83Å; V226-V228 VanDerWaalsContact C-N 3.35Å; V226-L229 WeakPolarHBondContact O-CB 3.42Å; V226-L229 PolarHBondContact O-N 3.22Å; V226-D230 PolarHBondContact O-N 2.91Å
227R96.9Very high95.1Very high11 Ų1111 Ų114%0.0427%0.067CC..Hα-helixtrans-67.3-34.7174-71.2-61.2-58.1114.54.9112.6A39 R40 G42 A223 H224 M225 D230 P289 L293A39-R227 PolarHBondContact O-NH1 2.94Å; A39-R227 VanDerWaalsContact O-NH1 3.14Å; A39-R227 PolarHBondContact O-NH2 3.24Å; R40-R227 PolarHBondContact O-NH2 3.1Å; G42-R227 VanDerWaalsContact CA-CZ 3.5Å; G42-R227 VanDerWaalsContact CA-NH2 3.27Å; A223-R227 WeakPolarHBondContact O-CG 3.22Å; H224-R227 PolarHBondContact O-N 2.91Å; M225-R227 VanDerWaalsContact C-N 3.28Å; M225-R227 PolarHBondContact O-N 2.78Å; R227-D230 IonicContact CZ-OD2 2.88Å; R227-D230 IonicContact NH1-OD2 3.62Å; R227-D230 PolarHBondContact NH1-OD2 3.3Å; R227-P289 HydrophobicContact CB-CB 4.08Å; R227-P289 HydrophobicContact CG-CB 3.74Å; R227-L293 HydrophobicContact CB-CD1 4.02Å
228V97.9Very high95.1Very high1 Ų112.6 Ų12.61%0.0067%0.074CC..Hα-helixtrans-67.2-43.1171.6173.70000110.7V216 L220 H224 M225 V226 D230 V231 Y232 V239 L240 V243 L293V216-V228 HydrophobicContact CG1-CG1 3.91Å; L220-V228 HydrophobicContact CD1-CG2 4.18Å; H224-V228 WeakPolarHBondContact O-CG2 3.44Å; H224-V228 PolarHBondContact O-N 3.14Å; M225-V228 HydrophobicContact CE-CB 4.01Å; M225-V228 HydrophobicContact CE-CG1 3.91Å; M225-V228 CarbonylContact O-C 3.46Å; M225-V228 WeakPolarHBondContact O-CA 3.47Å; M225-V228 WeakPolarHBondContact O-CB 3.38Å; M225-V228 PolarHBondContact O-N 2.88Å; M225-V228 HydrophobicContact SD-CB 4.13Å; M225-V228 HydrophobicContact SD-CG1 4.3Å; V226-V228 VanDerWaalsContact C-N 3.35Å; V228-D230 VanDerWaalsContact C-N 3.34Å; V228-D230 PolarHBondContact O-N 3.38Å; V228-V231 PolarHBondContact O-N 3.01Å; V228-Y232 VanDerWaalsContact O-CB 3.3Å; V228-Y232 WeakPolarHBondContact O-CB 3.21Å; V228-Y232 PolarHBondContact O-N 2.75Å; V228-V239 HydrophobicContact CG1-CG1 4.29Å; V228-L240 HydrophobicContact CG1-CD2 4.28Å; V228-V243 HydrophobicContact CG1-CG2 4.04Å; V228-V243 HydrophobicContact CG2-CG1 4.05Å; V228-V243 HydrophobicContact CG2-CG2 3.93Å; V228-L293 HydrophobicContact CG2-CD2 4.1Å
229L97.6Very high95.2Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-60.4-42.1178.5-174.860.2000111.8Y55 L137 L140 M225 V226 V231 Y232 L233Y55-L229 HydrophobicContact CD2-CD2 4.36Å; Y55-L229 HydrophobicContact CE2-CD2 3.44Å; Y55-L229 VanDerWaalsContact CE2-CD2 3.44Å; Y55-L229 HydrophobicContact CE2-CG 3.88Å; L137-L229 HydrophobicContact CD1-CD1 4.21Å; L140-L229 HydrophobicContact CB-CD2 3.93Å; M225-L229 HydrophobicContact CE-CB 4.16Å; M225-L229 WeakPolarHBondContact O-CB 3.34Å; M225-L229 PolarHBondContact O-N 3.12Å; V226-L229 WeakPolarHBondContact O-CB 3.42Å; V226-L229 PolarHBondContact O-N 3.22Å; L229-V231 PolarHBondContact O-N 3.01Å; L229-Y232 HydrophobicContact CD1-CD1 3.92Å; L229-Y232 HydrophobicContact CD1-CE1 4.5Å; L229-Y232 PolarHBondContact O-N 3.46Å; L229-L233 HydrophobicContact CD1-CD1 4.18Å; L229-L233 HydrophobicContact CD1-CD2 4.3Å; L229-L233 HydrophobicContact CD1-CG 3.95Å; L229-L233 HydrophobicContact CG-CD1 4.18Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CG 3.34Å; L229-L233 PolarHBondContact O-N 2.87Å
230D97Very high95.3Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-51.7-41.6175.3-70.1-30.3000112W44 R51 Y55 V226 R227 V228 V234W44-D230 HydrophobicContact CZ2-CB 4.49Å; W44-D230 VanDerWaalsContact NE1-CG 3.31Å; W44-D230 PolarHBondContact NE1-OD1 3.31Å; R51-D230 IonicContact CZ-OD1 2.65Å; R51-D230 IonicContact CZ-OD2 3.53Å; R51-D230 IonicContact NE-OD1 3.67Å; R51-D230 PolarHBondContact NE-OD1 3.49Å; R51-D230 IonicContact NE-OD2 3.51Å; R51-D230 PolarHBondContact NE-OD2 3.28Å; R51-D230 IonicContact NH2-OD2 2.95Å; R51-D230 PolarHBondContact NH2-OD2 2.96Å; R51-D230 VanDerWaalsContact NH2-OD2 3.13Å; Y55-D230 VanDerWaalsContact CE1-OD1 3.22Å; Y55-D230 WeakPolarHBondContact CE1-OD1 3.14Å; Y55-D230 PolarHBondContact OH-N 3.3Å; Y55-D230 PolarHBondContact OH-OD1 3.1Å; V226-D230 PolarHBondContact O-N 2.91Å; R227-D230 IonicContact CZ-OD2 2.88Å; R227-D230 IonicContact NH1-OD2 3.62Å; R227-D230 PolarHBondContact NH1-OD2 3.3Å; V228-D230 VanDerWaalsContact C-N 3.34Å; V228-D230 PolarHBondContact O-N 3.38Å; D230-V234 WeakPolarHBondContact O-CG2 3.46Å
231V96.9Very high95.3Very high0 Ų011.2 Ų11.20%06%0.063CC..Hα-helixtrans-89.9-32-178.9-164.50000112.2A39 R40 V228 L229 V234 E235 V239 L293 F297A39-V231 HydrophobicContact CB-CG2 4.27Å; R40-V231 HydrophobicContact CG-CG1 4.01Å; R40-V231 HydrophobicContact CG-CG2 4.35Å; V228-V231 PolarHBondContact O-N 3.01Å; L229-V231 PolarHBondContact O-N 3.01Å; V231-V234 PolarHBondContact O-N 2.63Å; V231-E235 HydrophobicContact CG1-CB 4.39Å; V231-E235 HydrophobicContact CG1-CG 4.1Å; V231-E235 WeakPolarHBondContact CG1-OE1 3.15Å; V231-E235 WeakPolarHBondContact O-CB 2.95Å; V231-E235 PolarHBondContact O-N 3.18Å; V231-V239 HydrophobicContact CB-CG1 4.47Å; V231-V239 HydrophobicContact CG1-CG2 4.19Å; V231-L293 HydrophobicContact CG2-CD1 4.26Å; V231-F297 HydrophobicContact CB-CE2 4.49Å; V231-F297 HydrophobicContact CB-CZ 4.17Å; V231-F297 HydrophobicContact CG1-CE1 4.22Å; V231-F297 HydrophobicContact CG1-CE2 4.03Å; V231-F297 HydrophobicContact CG1-CZ 3.39Å; V231-F297 HydrophobicContact CG2-CE2 4.37Å
232Y96.5Very high95.4Very high1 Ų110.8 Ų10.80%0.0046%0.057CC..Hα-helixtrans-62.1-41.3176.6163.9-94000112.1L168 V228 L229 V234 E235 G236 Y237 L240L168-Y232 VanDerWaalsContact C-OH 3.32Å; L168-Y232 PolarHBondContact O-OH 2.89Å; V228-Y232 VanDerWaalsContact O-CB 3.3Å; V228-Y232 WeakPolarHBondContact O-CB 3.21Å; V228-Y232 PolarHBondContact O-N 2.75Å; L229-Y232 HydrophobicContact CD1-CD1 3.92Å; L229-Y232 HydrophobicContact CD1-CE1 4.5Å; L229-Y232 PolarHBondContact O-N 3.46Å; Y232-V234 PolarHBondContact O-N 3.3Å; Y232-E235 PolarHBondContact O-N 3.3Å; Y232-G236 WeakPolarHBondContact O-CA 3.31Å; Y232-G236 PolarHBondContact O-N 3.32Å; Y232-Y237 HydrophobicContact CE2-CD2 4.24Å; Y232-L240 HydrophobicContact CD2-CD1 4.16Å; Y232-L240 HydrophobicContact CD2-CD2 3.77Å; Y232-L240 HydrophobicContact CD2-CG 3.78Å; Y232-L240 HydrophobicContact CE2-CD1 3.86Å; Y232-L240 HydrophobicContact CE2-CD2 4.28Å; Y232-L240 HydrophobicContact CE2-CG 4Å; Y232-L240 HydrophobicContact CG-CD2 4.32Å
233L94.8Very high95.6Very high25 Ų259.8 Ų9.813%0.1315%0.053CC..Hα-helixtrans-65.3-25.8177.4-68.6176.1000112.8Y55 L58 I59 I158 L229Y55-L233 HydrophobicContact CD1-CD1 3.43Å; Y55-L233 VanDerWaalsContact CD1-CD1 3.43Å; Y55-L233 HydrophobicContact CD2-CD1 3.99Å; Y55-L233 HydrophobicContact CE1-CD1 3.74Å; Y55-L233 HydrophobicContact CE2-CD1 4.25Å; Y55-L233 HydrophobicContact CG-CD1 3.56Å; L58-L233 HydrophobicContact CD1-CB 3.8Å; I59-L233 HydrophobicContact CD1-CD1 4.25Å; I59-L233 HydrophobicContact CD1-CD2 4.14Å; I59-L233 HydrophobicContact CG1-CD1 4.49Å; I59-L233 HydrophobicContact CG1-CD2 4Å; I158-L233 HydrophobicContact CD1-CD2 4.24Å; L229-L233 HydrophobicContact CD1-CD1 4.18Å; L229-L233 HydrophobicContact CD1-CD2 4.3Å; L229-L233 HydrophobicContact CD1-CG 3.95Å; L229-L233 HydrophobicContact CG-CD1 4.18Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CG 3.34Å; L229-L233 PolarHBondContact O-N 2.87Å
234V92.8Very high95.7Very high10 Ų107.5 Ų7.56%0.0613%0.034CC..Hα-helixtrans-89.2-41.7178.7-174.90000112.1F35 K36 A39 L58 D230 V231 Y232F35-V234 HydrophobicContact CD1-CG1 4.3Å; F35-V234 HydrophobicContact CD1-CG2 3.79Å; F35-V234 HydrophobicContact CE1-CG2 4.05Å; K36-V234 HydrophobicContact CB-CG1 4.34Å; K36-V234 HydrophobicContact CG-CG1 3.52Å; A39-V234 HydrophobicContact CB-CG2 3.94Å; L58-V234 HydrophobicContact CD1-CG2 3.65Å; L58-V234 HydrophobicContact CD2-CG2 4.11Å; D230-V234 WeakPolarHBondContact O-CG2 3.46Å; V231-V234 PolarHBondContact O-N 2.63Å; Y232-V234 PolarHBondContact O-N 3.3Å
235E91.6Very high95.8Very high22 Ų227 Ų710%0.1033%0.032CC..Hα-helixtrans-109.9-2-170.4-67.2-166.3-116.300114.7K36 R40 V231 Y232 V239 F297 R304K36-E235 HydrophobicContact CD-CG 4.31Å; K36-E235 HydrophobicContact CG-CG 4.01Å; R40-E235 IonicContact CZ-OE1 3.82Å; R40-E235 IonicContact CZ-OE2 3.14Å; R40-E235 IonicContact NE-OE1 2.82Å; R40-E235 PolarHBondContact NE-OE1 3Å; R40-E235 IonicContact NH2-OE1 3.61Å; R40-E235 PolarHBondContact NH2-OE1 3.43Å; R40-E235 IonicContact NH2-OE2 2.83Å; R40-E235 PolarHBondContact NH2-OE2 2.82Å; V231-E235 HydrophobicContact CG1-CB 4.39Å; V231-E235 HydrophobicContact CG1-CG 4.1Å; V231-E235 WeakPolarHBondContact CG1-OE1 3.15Å; V231-E235 WeakPolarHBondContact O-CB 2.95Å; V231-E235 PolarHBondContact O-N 3.18Å; Y232-E235 PolarHBondContact O-N 3.3Å; E235-V239 HydrophobicContact CB-CG2 3.53Å; E235-F297 WeakPolarHBondContact OE1-CE1 3.46Å; E235-R304 VanDerWaalsContact O-CZ 3.23Å; E235-R304 PolarHBondContact O-NH2 3.04Å
236G91.4Very high95.9Very high1 Ų17 Ų71%0.013%0.032CC..  trans68.4-164.8174.700000115Y232 K238 V239Y232-G236 WeakPolarHBondContact O-CA 3.31Å; Y232-G236 PolarHBondContact O-N 3.32Å; G236-K238 PolarHBondContact O-N 3.34Å; G236-V239 WeakPolarHBondContact O-CB 3.45Å; G236-V239 WeakPolarHBondContact O-CG2 3.4Å; G236-V239 PolarHBondContact O-N 3.34Å
237Y91.6Very high96Very high14 Ų147.1 Ų7.16%0.0553%0.032CC..THydrogen-bonded Turntrans-54.7-30.3-168.1-154.4-115.4000115.8R167 L168 D170 W212 Q213 Y232 V239 L240 Y241R167-Y237 VanDerWaalsContact O-CB 3.24Å; R167-Y237 WeakPolarHBondContact O-CB 3.33Å; L168-Y237 WeakPolarHBondContact O-CD2 3.43Å; L168-Y237 WeakPolarHBondContact O-CE2 3.4Å; D170-Y237 PolarHBondContact OD2-OH 3.03Å; W212-Y237 AromaticContact CH2-CE1 3.83Å; W212-Y237 HydrophobicContact CH2-CE1 3.83Å; W212-Y237 AromaticContact CH2-CZ 3.8Å; W212-Y237 HydrophobicContact CZ2-CE1 4.12Å; W212-Y237 WeakPolarHBondContact CZ2-OH 3.15Å; Q213-Y237 VanDerWaalsContact CD-OH 3.27Å; Q213-Y237 PolarHBondContact NE2-OH 2.82Å; Y232-Y237 HydrophobicContact CE2-CD2 4.24Å; Y237-V239 PolarHBondContact O-N 2.86Å; Y237-L240 HydrophobicContact CD2-CD1 3.76Å; Y237-L240 HydrophobicContact CE2-CD1 3.65Å; Y237-L240 WeakPolarHBondContact O-CB 3.38Å; Y237-L240 PolarHBondContact O-N 3.49Å; Y237-Y241 AromaticContact CD1-CE2 3.9Å; Y237-Y241 HydrophobicContact CD1-CE2 3.9Å; Y237-Y241 HydrophobicContact CE1-CE2 4.06Å
238K93Very high96Very high35 Ų356.7 Ų6.715%0.1523%0.031CC..Hα-helixtrans-56.1-26.8176.6-178.3173.91761780112.8G236 L240 R242 L301 I302 R304 I307G236-K238 PolarHBondContact O-N 3.34Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-R242 WeakPolarHBondContact O-CG 3.45Å; K238-R242 PolarHBondContact O-N 3.32Å; K238-L301 HydrophobicContact CD-CD2 4.3Å; K238-L301 HydrophobicContact CG-CD2 3.74Å; K238-L301 PolarHBondContact NZ-O 2.87Å; K238-I302 WeakPolarHBondContact CE-O 3.5Å; K238-I302 PolarHBondContact NZ-O 3.03Å; K238-R304 HydrophobicContact CB-CG 4.46Å; K238-R304 HydrophobicContact CD-CG 4.13Å; K238-I307 HydrophobicContact CB-CD1 4.25Å; K238-I307 HydrophobicContact CD-CD1 3.85Å; K238-I307 HydrophobicContact CG-CD1 3.69Å
239V95.4Very high95.9Very high1 Ų19.4 Ų9.41%0.0064%0.043CC..Hα-helixtrans-62.2-40.6175.7176.30000111.2V228 V231 E235 G236 Y237 Y241 R242 V243 F297V228-V239 HydrophobicContact CG1-CG1 4.29Å; V231-V239 HydrophobicContact CB-CG1 4.47Å; V231-V239 HydrophobicContact CG1-CG2 4.19Å; E235-V239 HydrophobicContact CB-CG2 3.53Å; G236-V239 WeakPolarHBondContact O-CB 3.45Å; G236-V239 WeakPolarHBondContact O-CG2 3.4Å; G236-V239 PolarHBondContact O-N 3.34Å; Y237-V239 PolarHBondContact O-N 2.86Å; V239-Y241 VanDerWaalsContact C-N 3.35Å; V239-Y241 PolarHBondContact O-N 2.73Å; V239-R242 WeakPolarHBondContact O-CB 3.34Å; V239-R242 PolarHBondContact O-N 3.17Å; V239-R242 VanDerWaalsContact O-N 3.1Å; V239-V243 HydrophobicContact CG1-CG2 4.22Å; V239-V243 WeakPolarHBondContact O-CG2 3.46Å; V239-V243 PolarHBondContact O-N 3.04Å; V239-F297 HydrophobicContact CG2-CZ 4.46Å
240L96.6Very high95.9Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-62.2-43.2-178.1-54.2-175.8000111.1W212 V216 L217 V228 Y232 Y237 K238 R242 V243 A244W212-L240 HydrophobicContact CH2-CB 4.27Å; W212-L240 HydrophobicContact CZ3-CB 3.79Å; V216-L240 HydrophobicContact CG1-CD2 3.8Å; L217-L240 HydrophobicContact CD1-CD1 4.02Å; L217-L240 HydrophobicContact CD2-CD1 4.35Å; L217-L240 HydrophobicContact CD2-CD2 3.83Å; L217-L240 HydrophobicContact CG-CD1 4.28Å; L217-L240 HydrophobicContact CG-CD2 4.35Å; V228-L240 HydrophobicContact CG1-CD2 4.28Å; Y232-L240 HydrophobicContact CD2-CD1 4.16Å; Y232-L240 HydrophobicContact CD2-CD2 3.77Å; Y232-L240 HydrophobicContact CD2-CG 3.78Å; Y232-L240 HydrophobicContact CE2-CD1 3.86Å; Y232-L240 HydrophobicContact CE2-CD2 4.28Å; Y232-L240 HydrophobicContact CE2-CG 4Å; Y232-L240 HydrophobicContact CG-CD2 4.32Å; Y237-L240 HydrophobicContact CD2-CD1 3.76Å; Y237-L240 HydrophobicContact CE2-CD1 3.65Å; Y237-L240 WeakPolarHBondContact O-CB 3.38Å; Y237-L240 PolarHBondContact O-N 3.49Å; K238-L240 VanDerWaalsContact C-N 3.32Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.93Å; L240-V243 PolarHBondContact O-N 3Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.08Å
241Y97Very high95.8Very high0 Ų011.6 Ų11.60%05%0.052CC..Hα-helixtrans-59.1-42.6173.6-71-55.1000112.8S179 T182 F183 L186 W212 Y237 V239 V243 I245 I307 Q311S179-Y241 PolarHBondContact O-OH 3.39Å; T182-Y241 HydrophobicContact CG2-CE1 4.33Å; F183-Y241 HydrophobicContact CB-CD1 4.39Å; F183-Y241 HydrophobicContact CB-CE1 4.05Å; F183-Y241 HydrophobicContact CD2-CD1 4.09Å; L186-Y241 HydrophobicContact CD1-CD1 3.79Å; L186-Y241 HydrophobicContact CD1-CD2 4.24Å; L186-Y241 HydrophobicContact CD1-CE1 4.26Å; L186-Y241 HydrophobicContact CD1-CG 3.78Å; W212-Y241 HydrophobicContact CD2-CE1 4.39Å; W212-Y241 HydrophobicContact CE3-CD1 4.18Å; W212-Y241 HydrophobicContact CE3-CE1 4.26Å; W212-Y241 AromaticContact CH2-CD1 3.79Å; W212-Y241 HydrophobicContact CH2-CD1 3.79Å; W212-Y241 AromaticContact CH2-CE1 3.41Å; W212-Y241 HydrophobicContact CH2-CE1 3.41Å; W212-Y241 VanDerWaalsContact CH2-CE1 3.41Å; W212-Y241 HydrophobicContact CH2-CE2 4.41Å; W212-Y241 HydrophobicContact CH2-CG 4.43Å; W212-Y241 AromaticContact CH2-CZ 3.76Å; W212-Y241 HydrophobicContact CZ2-CD1 4.32Å; W212-Y241 AromaticContact CZ2-CE1 3.54Å; W212-Y241 HydrophobicContact CZ2-CE1 3.54Å; W212-Y241 AromaticContact CZ2-CZ 3.87Å; W212-Y241 AromaticContact CZ3-CD1 3.7Å; W212-Y241 HydrophobicContact CZ3-CD1 3.7Å; W212-Y241 AromaticContact CZ3-CE1 3.79Å; W212-Y241 HydrophobicContact CZ3-CE1 3.79Å; W212-Y241 HydrophobicContact CZ3-CG 4.37Å; Y237-Y241 AromaticContact CD1-CE2 3.9Å; Y237-Y241 HydrophobicContact CD1-CE2 3.9Å; Y237-Y241 HydrophobicContact CE1-CE2 4.06Å; V239-Y241 VanDerWaalsContact C-N 3.35Å; V239-Y241 PolarHBondContact O-N 2.73Å; Y241-V243 VanDerWaalsContact C-N 3.34Å; Y241-V243 PolarHBondContact O-N 3.47Å; Y241-I245 WeakPolarHBondContact O-CB 3.37Å; Y241-I245 WeakPolarHBondContact O-CD1 3.45Å; Y241-I245 WeakPolarHBondContact O-CG1 3.41Å; Y241-I245 PolarHBondContact O-N 3.26Å; Y241-I307 HydrophobicContact CD2-CD1 4.33Å; Y241-I307 HydrophobicContact CD2-CG2 4.23Å; Y241-I307 HydrophobicContact CE2-CG2 3.76Å; Y241-Q311 PolarHBondContact OH-NE2 2.98Å
242R97.3Very high95.6Very high27 Ų2716.7 Ų16.710%0.1027%0.071CC..Hα-helixtrans-60.7-46.1177.9-68.2174.1170.6-73.4-0.6111.4K238 V239 L240 A246 S296 I299 L301K238-R242 WeakPolarHBondContact O-CG 3.45Å; K238-R242 PolarHBondContact O-N 3.32Å; V239-R242 WeakPolarHBondContact O-CB 3.34Å; V239-R242 PolarHBondContact O-N 3.17Å; V239-R242 VanDerWaalsContact O-N 3.1Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.93Å; R242-A246 WeakPolarHBondContact O-CB 3.43Å; R242-A246 PolarHBondContact O-N 3.47Å; R242-S296 PolarHBondContact NH1-O 3.11Å; R242-I299 PolarHBondContact NH1-O 3.31Å; R242-L301 HydrophobicContact CG-CB 4.47Å; R242-L301 HydrophobicContact CG-CD2 3.67Å
243V98.4Very high95.4Very high0 Ų024 Ų240%010%0.103CC..Hα-helixtrans-67.2-47.5-178.8177.70000110.2V216 L220 V228 V239 L240 Y241 I245 A246 L247 L292V216-V243 HydrophobicContact CG1-CB 4.19Å; V216-V243 HydrophobicContact CG1-CG1 3.91Å; V216-V243 HydrophobicContact CG2-CB 4.29Å; V216-V243 HydrophobicContact CG2-CG1 4.11Å; L220-V243 HydrophobicContact CD1-CG1 4.16Å; V228-V243 HydrophobicContact CG1-CG2 4.04Å; V228-V243 HydrophobicContact CG2-CG1 4.05Å; V228-V243 HydrophobicContact CG2-CG2 3.93Å; V239-V243 HydrophobicContact CG1-CG2 4.22Å; V239-V243 WeakPolarHBondContact O-CG2 3.46Å; V239-V243 PolarHBondContact O-N 3.04Å; L240-V243 PolarHBondContact O-N 3Å; Y241-V243 VanDerWaalsContact C-N 3.34Å; Y241-V243 PolarHBondContact O-N 3.47Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 PolarHBondContact O-N 3.09Å; V243-A246 CarbonylContact O-C 3.59Å; V243-A246 WeakPolarHBondContact O-CA 3.34Å; V243-A246 WeakPolarHBondContact O-CB 3.44Å; V243-A246 PolarHBondContact O-N 3.14Å; V243-L247 HydrophobicContact CG1-CD1 4.21Å; V243-L247 HydrophobicContact CG1-CG 4.33Å; V243-L247 WeakPolarHBondContact O-CG 3.29Å; V243-L247 PolarHBondContact O-N 2.64Å; V243-L292 HydrophobicContact CG1-CD1 4.39Å; V243-L292 HydrophobicContact CG1-CD2 4.18Å; V243-L292 HydrophobicContact CG1-CG 4.43Å
244A98.3Very high95.2Very high0 Ų028 Ų280%012%0.12CC..Hα-helixtrans-58.4-41.9177.300000112.5F183 W212 V216 L240 A246 L247 L248F183-A244 HydrophobicContact CD2-CB 4.13Å; F183-A244 HydrophobicContact CE2-CB 3.36Å; F183-A244 HydrophobicContact CZ-CB 3.82Å; W212-A244 HydrophobicContact CE3-CB 4.08Å; V216-A244 HydrophobicContact CG2-CB 3.83Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.08Å; A244-A246 PolarHBondContact O-N 2.81Å; A244-L247 PolarHBondContact O-N 2.92Å; A244-L248 PolarHBondContact O-N 3.31Å
245I98.3Very high94.9Very high0 Ų030.5 Ų30.50%013%0.131CC..Hα-helixtrans-65.1-39.6174.3-64.9163000111.1F183 L186 Y190 C191 Y241 V243 L248 K249 I299 L301F183-I245 HydrophobicContact CE2-CG1 4.09Å; L186-I245 HydrophobicContact CB-CD1 4.01Å; Y190-I245 HydrophobicContact CD2-CD1 4.41Å; C191-I245 HydrophobicContact CB-CG2 4.04Å; Y241-I245 WeakPolarHBondContact O-CB 3.37Å; Y241-I245 WeakPolarHBondContact O-CD1 3.45Å; Y241-I245 WeakPolarHBondContact O-CG1 3.41Å; Y241-I245 PolarHBondContact O-N 3.26Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 PolarHBondContact O-N 3.09Å; I245-L248 PolarHBondContact O-N 3.26Å; I245-K249 WeakPolarHBondContact O-CG 3.08Å; I245-K249 PolarHBondContact O-N 3.5Å; I245-K249 VanDerWaalsContact O-N 3.1Å; I245-I299 HydrophobicContact CB-CD1 3.95Å; I245-I299 HydrophobicContact CG2-CD1 3.65Å; I245-L301 HydrophobicContact CD1-CD1 3.88Å
246A98.3Very high94.3Very high0 Ų033.9 Ų33.90%015%0.153CC..Hα-helixtrans-64.9-40.2175.900000111.9R242 V243 A244 L248 K249 F250 L292 K295 S296 I299R242-A246 WeakPolarHBondContact O-CB 3.43Å; R242-A246 PolarHBondContact O-N 3.47Å; V243-A246 CarbonylContact O-C 3.59Å; V243-A246 WeakPolarHBondContact O-CA 3.34Å; V243-A246 WeakPolarHBondContact O-CB 3.44Å; V243-A246 PolarHBondContact O-N 3.14Å; A244-A246 PolarHBondContact O-N 2.81Å; A246-L248 PolarHBondContact O-N 3.01Å; A246-K249 WeakPolarHBondContact O-CB 3.4Å; A246-K249 PolarHBondContact O-N 2.76Å; A246-K249 VanDerWaalsContact O-N 3.11Å; A246-F250 WeakPolarHBondContact O-CD2 3.45Å; A246-F250 PolarHBondContact O-N 2.88Å; A246-L292 HydrophobicContact CB-CD1 4.12Å; A246-K295 HydrophobicContact CB-CB 4.32Å; A246-K295 HydrophobicContact CB-CG 4.07Å; A246-S296 WeakPolarHBondContact CB-OG 3.43Å; A246-I299 HydrophobicContact CB-CD1 4.36Å
247L98.3Very high92.9Very high2 Ų237.3 Ų37.31%0.0119%0.188CC..Hα-helixtrans-59.2-45.7174.2-67.5173.8000111.2W215 V216 L220 V243 A244 K249 F250 Y251 I280 I283 L292W215-L247 HydrophobicContact CB-CD1 4.39Å; V216-L247 HydrophobicContact CG2-CD1 4.21Å; L220-L247 HydrophobicContact CD2-CD1 4.39Å; L220-L247 HydrophobicContact CD2-CD2 3.99Å; L220-L247 HydrophobicContact CG-CD1 4.46Å; V243-L247 HydrophobicContact CG1-CD1 4.21Å; V243-L247 HydrophobicContact CG1-CG 4.33Å; V243-L247 WeakPolarHBondContact O-CG 3.29Å; V243-L247 PolarHBondContact O-N 2.64Å; A244-L247 PolarHBondContact O-N 2.92Å; L247-K249 VanDerWaalsContact C-N 3.28Å; L247-K249 PolarHBondContact O-N 3.48Å; L247-F250 PolarHBondContact O-N 2.88Å; L247-F250 VanDerWaalsContact O-N 3.14Å; L247-Y251 WeakPolarHBondContact O-CB 3.37Å; L247-Y251 PolarHBondContact O-N 3.35Å; L247-I280 HydrophobicContact CD1-CD1 4.23Å; L247-I280 HydrophobicContact CD1-CG1 4.48Å; L247-I283 HydrophobicContact CD2-CD1 3.42Å; L247-I283 VanDerWaalsContact CD2-CD1 3.42Å; L247-L292 HydrophobicContact CD2-CD1 3.83Å; L247-L292 HydrophobicContact CD2-CD2 4.34Å; L247-L292 HydrophobicContact CG-CD1 4.31Å
248L96.7Very high91.2Very high1 Ų139.4 Ų39.41%0.00521%0.214CC..Hα-helixtrans-60.3-35.7174.2-74.5-176.2000113F183 A187 A194 I198 Y209 W215 A244 I245 A246 R252F183-L248 HydrophobicContact CE1-CD1 4.01Å; F183-L248 HydrophobicContact CZ-CD1 3.55Å; F183-L248 HydrophobicContact CZ-CG 4.19Å; A187-L248 HydrophobicContact CB-CD1 3.89Å; A194-L248 HydrophobicContact CB-CB 4.24Å; I198-L248 HydrophobicContact CD1-CD2 3.85Å; Y209-L248 HydrophobicContact CE1-CD1 4.23Å; W215-L248 HydrophobicContact CH2-CD2 3.97Å; W215-L248 HydrophobicContact CZ3-CD1 4.28Å; W215-L248 HydrophobicContact CZ3-CD2 3.71Å; W215-L248 HydrophobicContact CZ3-CG 3.95Å; A244-L248 PolarHBondContact O-N 3.31Å; I245-L248 PolarHBondContact O-N 3.26Å; A246-L248 PolarHBondContact O-N 3.01Å; L248-R252 WeakPolarHBondContact O-CB 3.2Å; L248-R252 PolarHBondContact O-N 2.97Å
249K96.3Very high89.2Confident59 Ų5944.8 Ų44.826%0.25724%0.24SC..Hα-helixtrans-64.8-42174.9-73.1179.6-180-175.30111.9Y190 C191 I245 A246 L247 K253Y190-K249 WeakPolarHBondContact O-CE 3.38Å; Y190-K249 PolarHBondContact O-NZ 3.31Å; C191-K249 HydrophobicContact CB-CG 4.17Å; C191-K249 WeakPolarHBondContact SG-CG 3.25Å; I245-K249 WeakPolarHBondContact O-CG 3.08Å; I245-K249 PolarHBondContact O-N 3.5Å; I245-K249 VanDerWaalsContact O-N 3.1Å; A246-K249 WeakPolarHBondContact O-CB 3.4Å; A246-K249 PolarHBondContact O-N 2.76Å; A246-K249 VanDerWaalsContact O-N 3.11Å; L247-K249 VanDerWaalsContact C-N 3.28Å; L247-K249 PolarHBondContact O-N 3.48Å; K249-K253 PolarHBondContact O-N 3.29Å
250F96.8Very high86.6Confident33 Ų3350 Ų5015%0.14528%0.283CS..Hα-helixtrans-69.7-43.5176.5-71.9-65.8000111.8A246 L247 R252 K253 H254 F279 V287 K291 L292 K295A246-F250 WeakPolarHBondContact O-CD2 3.45Å; A246-F250 PolarHBondContact O-N 2.88Å; L247-F250 PolarHBondContact O-N 2.88Å; L247-F250 VanDerWaalsContact O-N 3.14Å; F250-R252 PolarHBondContact O-N 3.26Å; F250-K253 WeakPolarHBondContact O-CB 3.13Å; F250-K253 PolarHBondContact O-N 3.2Å; F250-K253 VanDerWaalsContact O-N 3.11Å; F250-H254 PolarHBondContact O-N 3.38Å; F250-F279 HydrophobicContact CB-CE1 4.15Å; F250-F279 HydrophobicContact CB-CZ 3.8Å; F250-V287 HydrophobicContact CD1-CG2 3.75Å; F250-V287 HydrophobicContact CD2-CG1 4.46Å; F250-V287 HydrophobicContact CE1-CG1 4.04Å; F250-V287 HydrophobicContact CE1-CG2 3.85Å; F250-V287 HydrophobicContact CE2-CG1 3.91Å; F250-V287 HydrophobicContact CG-CG2 4.11Å; F250-V287 HydrophobicContact CZ-CG1 3.67Å; F250-V287 HydrophobicContact CZ-CG2 4.29Å; F250-K291 HydrophobicContact CZ-CG 4.38Å; F250-L292 HydrophobicContact CD2-CD1 4.23Å; F250-L292 HydrophobicContact CE2-CD1 3.99Å; F250-K295 HydrophobicContact CE2-CB 3.87Å; F250-K295 HydrophobicContact CE2-CG 3.91Å; F250-K295 HydrophobicContact CZ-CB 3.87Å; F250-K295 HydrophobicContact CZ-CG 3.97Å
251Y95.1Very high84.1Confident13 Ų1353.7 Ų53.75%0.05132%0.32CS..Hα-helixtrans-57.1-46.9176.4172.4-107.2000111.9L247 K253 H254 K255 D275 I276 F279L247-Y251 WeakPolarHBondContact O-CB 3.37Å; L247-Y251 PolarHBondContact O-N 3.35Å; Y251-K253 VanDerWaalsContact C-N 3.33Å; Y251-K253 PolarHBondContact O-N 2.99Å; Y251-H254 WeakPolarHBondContact O-CB 3.29Å; Y251-H254 PolarHBondContact O-N 2.7Å; Y251-K255 HydrophobicContact CE1-CG 4.21Å; Y251-K255 HydrophobicContact CE2-CD 4.45Å; Y251-K255 HydrophobicContact CE2-CG 3.96Å; Y251-K255 PolarHBondContact O-N 2.62Å; Y251-K255 WeakPolarHBondContact OH-CE 3.34Å; Y251-D275 VanDerWaalsContact CE2-OD2 3.25Å; Y251-D275 WeakPolarHBondContact CE2-OD2 3.37Å; Y251-D275 PolarHBondContact OH-OD2 3.03Å; Y251-I276 HydrophobicContact CD1-CG1 4.16Å; Y251-I276 HydrophobicContact CD2-CG1 4.18Å; Y251-I276 HydrophobicContact CE1-CD1 4.23Å; Y251-I276 HydrophobicContact CE1-CG1 3.77Å; Y251-I276 HydrophobicContact CE2-CG1 3.79Å; Y251-I276 HydrophobicContact CG-CG1 4.35Å; Y251-F279 VanDerWaalsContact CA-CE1 3.48Å; Y251-F279 HydrophobicContact CD2-CB 3.94Å; Y251-F279 AromaticContact CD2-CD1 3.8Å; Y251-F279 HydrophobicContact CD2-CD1 3.8Å; Y251-F279 AromaticContact CD2-CG 3.81Å; Y251-F279 HydrophobicContact CD2-CG 3.81Å; Y251-F279 HydrophobicContact CE2-CB 4.44Å; Y251-F279 HydrophobicContact CG-CD1 4.24Å
252R93.8Very high81.9Confident107 Ų10760.9 Ų60.940%0.40435%0.354SS..Hα-helixtrans-57.6-46.6174.8-175.8-161.6174.4-151.3-6.2111.6A193 A194 L248 F250 H254 K255 T256A193-R252 VanDerWaalsContact CB-NH2 3.29Å; A194-R252 HydrophobicContact CB-CB 3.77Å; A194-R252 HydrophobicContact CB-CG 4.23Å; L248-R252 WeakPolarHBondContact O-CB 3.2Å; L248-R252 PolarHBondContact O-N 2.97Å; F250-R252 PolarHBondContact O-N 3.26Å; R252-H254 VanDerWaalsContact C-N 3.27Å; R252-H254 PolarHBondContact O-N 2.69Å; R252-K255 PolarHBondContact O-N 3.12Å; R252-T256 PolarHBondContact O-N 2.96Å; R252-T256 PolarHBondContact O-OG1 3.3Å; R252-T256 VanDerWaalsContact O-OG1 3.1Å
253K92.1Very high79.4Confident155 Ų15567.8 Ų67.867%0.67439%0.393SS*.Hα-helixtrans-59.7-41.4179.2-173.8-177.4176-172.90111K249 F250 Y251 T256 G257K249-K253 PolarHBondContact O-N 3.29Å; F250-K253 WeakPolarHBondContact O-CB 3.13Å; F250-K253 PolarHBondContact O-N 3.2Å; F250-K253 VanDerWaalsContact O-N 3.11Å; Y251-K253 VanDerWaalsContact C-N 3.33Å; Y251-K253 PolarHBondContact O-N 2.99Å; K253-T256 WeakPolarHBondContact CA-OG1 3.49Å; K253-T256 PolarHBondContact O-N 3.16Å; K253-T256 PolarHBondContact O-OG1 3.12Å; K253-G257 PolarHBondContact O-N 2.79Å; K253-G257 VanDerWaalsContact O-N 3.15Å
254H90Very high77.4Confident107 Ų10774 Ų7450%0.49542%0.422SS..Hα-helixtrans-61.1-46.6175.5179.7-95.7000111.8F250 Y251 R252 G257 G258 F279F250-H254 PolarHBondContact O-N 3.38Å; Y251-H254 WeakPolarHBondContact O-CB 3.29Å; Y251-H254 PolarHBondContact O-N 2.7Å; R252-H254 VanDerWaalsContact C-N 3.27Å; R252-H254 PolarHBondContact O-N 2.69Å; H254-G257 PolarHBondContact O-N 2.87Å; H254-G258 PolarHBondContact O-N 2.66Å; H254-F279 HydrophobicContact CB-CD2 3.97Å; H254-F279 HydrophobicContact CB-CE2 3.58Å; H254-F279 HydrophobicContact CB-CZ 4.35Å; H254-F279 AromaticContact CG-CD2 3.72Å; H254-F279 AromaticContact CG-CE2 3.73Å; H254-F279 AromaticContact ND1-CD2 3.88Å
255K85.8Confident75.7Confident64 Ų6481.8 Ų81.828%0.27846%0.459SS..Hα-helixtrans-64.9-40.1177.5-74.1-65.5-175-173.20113.7L197 Y251 R252 G257 G258 D275L197-K255 HydrophobicContact CD2-CB 4.12Å; L197-K255 HydrophobicContact CD2-CG 4.4Å; Y251-K255 HydrophobicContact CE1-CG 4.21Å; Y251-K255 HydrophobicContact CE2-CD 4.45Å; Y251-K255 HydrophobicContact CE2-CG 3.96Å; Y251-K255 PolarHBondContact O-N 2.62Å; Y251-K255 WeakPolarHBondContact OH-CE 3.34Å; R252-K255 PolarHBondContact O-N 3.12Å; K255-G257 VanDerWaalsContact C-N 3.27Å; K255-G257 PolarHBondContact O-N 3.05Å; K255-G258 PolarHBondContact O-N 3.45Å; K255-D275 WeakPolarHBondContact CE-OD2 3.29Å; K255-D275 IonicContact NZ-OD1 2.65Å; K255-D275 PolarHBondContact NZ-OD1 3.25Å; K255-D275 IonicContact NZ-OD2 2.89Å; K255-D275 PolarHBondContact NZ-OD2 3.35Å
256T79.4Confident74Confident93 Ų9388 Ų8857%0.57148%0.482SS*.Hα-helixtrans-69.9-23177.651.30000113.6R252 K253R252-T256 PolarHBondContact O-N 2.96Å; R252-T256 PolarHBondContact O-OG1 3.3Å; R252-T256 VanDerWaalsContact O-OG1 3.1Å; K253-T256 WeakPolarHBondContact CA-OG1 3.49Å; K253-T256 PolarHBondContact O-N 3.16Å; K253-T256 PolarHBondContact O-OG1 3.12Å
257G61.8Low72.5Confident72 Ų7291 Ų9174%0.74250%0.498SS*.Hα-helixtrans-87.9-14.3177.100000114.4K253 H254 K255K253-G257 PolarHBondContact O-N 2.79Å; K253-G257 VanDerWaalsContact O-N 3.15Å; H254-G257 PolarHBondContact O-N 2.87Å; K255-G257 VanDerWaalsContact C-N 3.27Å; K255-G257 PolarHBondContact O-N 3.05Å
258G56.3Low71.5Confident58 Ų5895.2 Ų95.260%0.59852%0.52SS*.Hα-helixtrans-101.6-31.6-169.200000116.2H254 K255H254-G258 PolarHBondContact O-N 2.66Å; K255-G258 PolarHBondContact O-N 3.45Å
259Q51Low70.7Confident149 Ų14995.2 Ų95.270%0.69652%0.52SS*.  trans-154.193.6-173.9-88.1172.51.800110.9
260A40.4Very low70Confident111 Ų11193.4 Ų93.492%0.91752%0.519SS*.SBendtrans-93.898.2164.100000108.1
261G45.5Very low69.5Low76 Ų7698 Ų9878%0.78454%0.539SS*.  trans136.634.6165.600000119.2
262Q50.7Low69.2Low152 Ų15297.7 Ų97.771%0.7154%0.538SS*.  trans-115.6132.7164.4-75-168.9-7.900111.7Q264Q262-Q264 PolarHBondContact O-N 2.88Å; Q262-Q264 VanDerWaalsContact O-N 3.11Å
263N45.1Very low69Low171 Ų17195.6 Ų95.691%0.91453%0.53SS*.  trans-50.6113.8173.1-83.2-19.3000109.7Q265N263-Q265 PolarHBondContact O-N 3.03Å
264Q56.4Low69Low130 Ų13091.5 Ų91.561%0.60752%0.521SS*.  trans-80.982.8-169.5-152.3102.548.300110.2T201 Q262T201-Q264 HydrophobicContact CG2-CG 3.64Å; Q262-Q264 PolarHBondContact O-N 2.88Å; Q262-Q264 VanDerWaalsContact O-N 3.11Å
265Q60.7Low69.2Low165 Ų16589.1 Ų89.177%0.77151%0.512SS*.PPolyproline II helixtrans-65.9141163.8-107168.7-12.900109.5N263 L267N263-Q265 PolarHBondContact O-N 3.03Å; Q265-L267 PolarHBondContact O-N 3.26Å
266R63.5Low69.7Low130 Ų13086.2 Ų86.249%0.49150%0.499SS..PPolyproline II helixtrans-57.8122.4171.4-80.7-172.2174.7173.3-1.2108.8T201T201-R266 CarbonylContact O-C 3.56Å; T201-R266 WeakPolarHBondContact O-CA 3.11Å
267L67.8Low70.4Confident64 Ų6483.5 Ų83.534%0.33548%0.48SS..BIsolated β-bridgetrans-90.9153.6177.9-64.9172.9000109.7T201 Q265 S269 K271 I272T201-L267 PolarHBondContact O-N 2.83Å; Q265-L267 PolarHBondContact O-N 3.26Å; L267-S269 PolarHBondContact O-N 2.89Å; L267-K271 HydrophobicContact CD2-CD 4.37Å; L267-I272 HydrophobicContact CB-CD1 4.35Å; L267-I272 HydrophobicContact CB-CG1 4.34Å
268D77Confident72.1Confident89 Ų8983 Ų8348%0.47647%0.469SS..PPolyproline II helixtrans-52134.7165.5172.959.5000110.9G270 K271 I272D268-G270 VanDerWaalsContact C-N 3.26Å; D268-G270 PolarHBondContact O-N 2.83Å; D268-G270 WeakPolarHBondContact OD2-CA 3.38Å; D268-G270 PolarHBondContact OD2-N 2.93Å; D268-G270 VanDerWaalsContact OD2-N 3.1Å; D268-K271 WeakPolarHBondContact O-CB 3.13Å; D268-K271 PolarHBondContact O-N 2.87Å; D268-K271 VanDerWaalsContact O-N 3.11Å; D268-K271 PolarHBondContact OD2-N 3.46Å; D268-I272 PolarHBondContact O-N 3.39Å
269S79.8Confident74Confident1 Ų181.2 Ų81.21%0.00745%0.445CS..Hα-helixtrans-60.5-36.5-178-79.30000112.1Q203 D204 E207 L267 K271 I272 R273Q203-S269 PolarHBondContact N-OG 2.77Å; D204-S269 PolarHBondContact N-OG 3Å; D204-S269 PolarHBondContact O-OG 3.11Å; E207-S269 WeakPolarHBondContact OE2-CB 3.34Å; L267-S269 PolarHBondContact O-N 2.89Å; S269-K271 VanDerWaalsContact C-N 3.28Å; S269-K271 PolarHBondContact O-N 2.65Å; S269-I272 PolarHBondContact O-N 3Å; S269-I272 VanDerWaalsContact O-N 3.15Å; S269-R273 WeakPolarHBondContact O-CG 3.43Å; S269-R273 PolarHBondContact O-N 2.79Å
270G82.2Confident76.2Confident22 Ų2274.2 Ų74.223%0.22741%0.412CS..Hα-helixtrans-59.8-35.4175.400000113.3D268 R273 S274D268-G270 VanDerWaalsContact C-N 3.26Å; D268-G270 PolarHBondContact O-N 2.83Å; D268-G270 WeakPolarHBondContact OD2-CA 3.38Å; D268-G270 PolarHBondContact OD2-N 2.93Å; D268-G270 VanDerWaalsContact OD2-N 3.1Å; G270-R273 PolarHBondContact O-N 3.49Å; G270-S274 WeakPolarHBondContact O-CB 2.79Å; G270-S274 PolarHBondContact O-N 2.69Å; G270-S274 PolarHBondContact O-OG 3.07Å
271K85.6Confident78.9Confident130 Ų13074.1 Ų74.157%0.56539%0.391SS*.Hα-helixtrans-66.7-40175.3-168.6172.8-177.21770112.3L267 D268 S269 S274 D275L267-K271 HydrophobicContact CD2-CD 4.37Å; D268-K271 WeakPolarHBondContact O-CB 3.13Å; D268-K271 PolarHBondContact O-N 2.87Å; D268-K271 VanDerWaalsContact O-N 3.11Å; D268-K271 PolarHBondContact OD2-N 3.46Å; S269-K271 VanDerWaalsContact C-N 3.28Å; S269-K271 PolarHBondContact O-N 2.65Å; K271-S274 PolarHBondContact O-N 3.06Å; K271-D275 WeakPolarHBondContact O-CB 3.37Å; K271-D275 PolarHBondContact O-N 3.26Å
272I88.2Confident81.3Confident6 Ų672.2 Ų72.23%0.03137%0.371CS..Hα-helixtrans-69-41.7178-63.4168.7000110.5T201 A202 V208 L267 D268 S269 S274 D275 I276T201-I272 VanDerWaalsContact C-CD1 3.46Å; A202-I272 HydrophobicContact CB-CD1 3.53Å; V208-I272 HydrophobicContact CG1-CG2 4.08Å; V208-I272 HydrophobicContact CG2-CB 4.24Å; V208-I272 HydrophobicContact CG2-CG2 4.09Å; L267-I272 HydrophobicContact CB-CD1 4.35Å; L267-I272 HydrophobicContact CB-CG1 4.34Å; D268-I272 PolarHBondContact O-N 3.39Å; S269-I272 PolarHBondContact O-N 3Å; S269-I272 VanDerWaalsContact O-N 3.15Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.99Å; I272-D275 PolarHBondContact O-N 3.14Å; I272-I276 HydrophobicContact CG2-CD1 3.92Å; I272-I276 HydrophobicContact CG2-CG1 4.42Å; I272-I276 WeakPolarHBondContact O-CG1 3.32Å; I272-I276 PolarHBondContact O-N 3.19Å
273R90.7Very high83.5Confident62 Ų6265 Ų6523%0.23434%0.337CS..Hα-helixtrans-55.1-50.5173.3-70.5172.570.7172.59.1111.3E207 V208 D211 S269 G270 D275 I276 Q277E207-R273 WeakPolarHBondContact O-CD 3.35Å; E207-R273 PolarHBondContact O-NE 3.47Å; E207-R273 IonicContact OE1-CZ 2.69Å; E207-R273 IonicContact OE1-NH1 3.65Å; E207-R273 PolarHBondContact OE1-NH1 3.4Å; V208-R273 HydrophobicContact CB-CG 4.38Å; V208-R273 HydrophobicContact CG2-CG 4.2Å; D211-R273 IonicContact OD1-CZ 3.51Å; D211-R273 IonicContact OD1-NE 2.71Å; D211-R273 IonicContact OD1-NH2 2.83Å; D211-R273 PolarHBondContact OD1-NH2 3.46Å; D211-R273 IonicContact OD2-CZ 3.19Å; D211-R273 VanDerWaalsContact OD2-CZ 3.3Å; D211-R273 IonicContact OD2-NE 2.84Å; D211-R273 PolarHBondContact OD2-NE 2.92Å; D211-R273 IonicContact OD2-NH2 3.65Å; D211-R273 PolarHBondContact OD2-NH2 3.27Å; S269-R273 WeakPolarHBondContact O-CG 3.43Å; S269-R273 PolarHBondContact O-N 2.79Å; G270-R273 PolarHBondContact O-N 3.49Å; R273-D275 VanDerWaalsContact C-N 3.32Å; R273-D275 PolarHBondContact O-N 3.27Å; R273-I276 PolarHBondContact O-N 2.74Å; R273-Q277 WeakPolarHBondContact O-CB 3.45Å; R273-Q277 PolarHBondContact O-N 3.43Å
274S91.9Very high85.9Confident70 Ų7058.9 Ų58.949%0.4932%0.315SS..Hα-helixtrans-61.2-39.4179.3-59.70000112.5G270 K271 I272 Q277 A278G270-S274 WeakPolarHBondContact O-CB 2.79Å; G270-S274 PolarHBondContact O-N 2.69Å; G270-S274 PolarHBondContact O-OG 3.07Å; K271-S274 PolarHBondContact O-N 3.06Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.99Å; S274-Q277 PolarHBondContact O-N 2.94Å; S274-A278 WeakPolarHBondContact O-CB 3.48Å; S274-A278 PolarHBondContact O-N 3.01Å
275D93.9Very high87.7Confident57 Ų5757.7 Ų57.731%0.30532%0.321SS..Hα-helixtrans-71.5-41.8179.8179.686.7000112.8Y251 K255 K271 I272 R273 Q277 A278 F279Y251-D275 VanDerWaalsContact CE2-OD2 3.25Å; Y251-D275 WeakPolarHBondContact CE2-OD2 3.37Å; Y251-D275 PolarHBondContact OH-OD2 3.03Å; K255-D275 WeakPolarHBondContact CE-OD2 3.29Å; K255-D275 IonicContact NZ-OD1 2.65Å; K255-D275 PolarHBondContact NZ-OD1 3.25Å; K255-D275 IonicContact NZ-OD2 2.89Å; K255-D275 PolarHBondContact NZ-OD2 3.35Å; K271-D275 WeakPolarHBondContact O-CB 3.37Å; K271-D275 PolarHBondContact O-N 3.26Å; I272-D275 PolarHBondContact O-N 3.14Å; R273-D275 VanDerWaalsContact C-N 3.32Å; R273-D275 PolarHBondContact O-N 3.27Å; D275-Q277 VanDerWaalsContact C-N 3.33Å; D275-A278 PolarHBondContact O-N 3.19Å; D275-F279 WeakPolarHBondContact O-CB 3.39Å; D275-F279 PolarHBondContact O-N 3.49Å
276I95.4Very high89.3Confident2 Ų254.7 Ų54.71%0.0131%0.314CS..Hα-helixtrans-61.4-45.1171.5-68.3170.5000110I198 V208 W215 Y251 I272 R273 A278 F279 I280I198-I276 HydrophobicContact CD1-CD1 4.15Å; V208-I276 HydrophobicContact CG1-CD1 3.73Å; W215-I276 HydrophobicContact CD2-CG2 4.11Å; W215-I276 HydrophobicContact CH2-CD1 4.24Å; W215-I276 HydrophobicContact CH2-CG2 4.37Å; W215-I276 HydrophobicContact CZ2-CD1 4.03Å; W215-I276 HydrophobicContact CZ2-CG2 3.85Å; Y251-I276 HydrophobicContact CD1-CG1 4.16Å; Y251-I276 HydrophobicContact CD2-CG1 4.18Å; Y251-I276 HydrophobicContact CE1-CD1 4.23Å; Y251-I276 HydrophobicContact CE1-CG1 3.77Å; Y251-I276 HydrophobicContact CE2-CG1 3.79Å; Y251-I276 HydrophobicContact CG-CG1 4.35Å; I272-I276 HydrophobicContact CG2-CD1 3.92Å; I272-I276 HydrophobicContact CG2-CG1 4.42Å; I272-I276 WeakPolarHBondContact O-CG1 3.32Å; I272-I276 PolarHBondContact O-N 3.19Å; R273-I276 PolarHBondContact O-N 2.74Å; I276-A278 PolarHBondContact O-N 3.49Å; I276-F279 WeakPolarHBondContact O-CB 3.48Å; I276-F279 PolarHBondContact O-N 2.82Å; I276-I280 HydrophobicContact CG2-CD1 3.65Å; I276-I280 HydrophobicContact CG2-CG1 4.33Å; I276-I280 VanDerWaalsContact O-CG1 3.29Å; I276-I280 WeakPolarHBondContact O-CG1 3.48Å; I276-I280 PolarHBondContact O-N 2.82Å
277Q95.3Very high90.9Very high37 Ų3749 Ų4917%0.17329%0.294CS..Hα-helixtrans-60.2-45.8178176172.255.400112R214 D219 R273 S274 D275 F279 I280 K281R214-Q277 VanDerWaalsContact NH2-NE2 3.14Å; D219-Q277 VanDerWaalsContact CG-NE2 3.32Å; D219-Q277 PolarHBondContact OD1-NE2 3.1Å; D219-Q277 WeakPolarHBondContact OD2-CG 3.41Å; D219-Q277 PolarHBondContact OD2-NE2 3.32Å; R273-Q277 WeakPolarHBondContact O-CB 3.45Å; R273-Q277 PolarHBondContact O-N 3.43Å; S274-Q277 PolarHBondContact O-N 2.94Å; D275-Q277 VanDerWaalsContact C-N 3.33Å; Q277-F279 VanDerWaalsContact C-N 3.33Å; Q277-F279 PolarHBondContact O-N 3.21Å; Q277-I280 PolarHBondContact O-N 3.42Å; Q277-K281 HydrophobicContact CG-CD 4.1Å; Q277-K281 VanDerWaalsContact NE2-NZ 3.2Å; Q277-K281 WeakPolarHBondContact O-CG 3.41Å; Q277-K281 PolarHBondContact O-N 3.11Å
278A96.3Very high92.3Very high61 Ų6149.7 Ų49.750%0.50430%0.301SS..Hα-helixtrans-61.1-43.217700000111.5S274 D275 I276 I280 K281 G282S274-A278 WeakPolarHBondContact O-CB 3.48Å; S274-A278 PolarHBondContact O-N 3.01Å; D275-A278 PolarHBondContact O-N 3.19Å; I276-A278 PolarHBondContact O-N 3.49Å; A278-I280 PolarHBondContact O-N 2.93Å; A278-K281 PolarHBondContact O-N 3.21Å; A278-G282 PolarHBondContact O-N 3.28Å
279F97.1Very high93.3Very high20 Ų2046.5 Ų46.59%0.08829%0.285CS..Hα-helixtrans-59.4-46.4175.1169-99.7000112.2F250 Y251 H254 D275 I276 Q277 G282 I283F250-F279 HydrophobicContact CB-CE1 4.15Å; F250-F279 HydrophobicContact CB-CZ 3.8Å; Y251-F279 VanDerWaalsContact CA-CE1 3.48Å; Y251-F279 HydrophobicContact CD2-CB 3.94Å; Y251-F279 AromaticContact CD2-CD1 3.8Å; Y251-F279 HydrophobicContact CD2-CD1 3.8Å; Y251-F279 AromaticContact CD2-CG 3.81Å; Y251-F279 HydrophobicContact CD2-CG 3.81Å; Y251-F279 HydrophobicContact CE2-CB 4.44Å; Y251-F279 HydrophobicContact CG-CD1 4.24Å; H254-F279 HydrophobicContact CB-CD2 3.97Å; H254-F279 HydrophobicContact CB-CE2 3.58Å; H254-F279 HydrophobicContact CB-CZ 4.35Å; H254-F279 AromaticContact CG-CD2 3.72Å; H254-F279 AromaticContact CG-CE2 3.73Å; H254-F279 AromaticContact ND1-CD2 3.88Å; D275-F279 WeakPolarHBondContact O-CB 3.39Å; D275-F279 PolarHBondContact O-N 3.49Å; I276-F279 WeakPolarHBondContact O-CB 3.48Å; I276-F279 PolarHBondContact O-N 2.82Å; Q277-F279 VanDerWaalsContact C-N 3.33Å; Q277-F279 PolarHBondContact O-N 3.21Å; F279-G282 CarbonylContact O-C 3.47Å; F279-G282 PolarHBondContact O-N 3.46Å; F279-I283 HydrophobicContact CE1-CD1 4.27Å; F279-I283 HydrophobicContact CE1-CG1 4.48Å; F279-I283 HydrophobicContact CZ-CD1 4.36Å; F279-I283 HydrophobicContact CZ-CG1 4.25Å; F279-I283 PolarHBondContact O-N 3.1Å
280I97.6Very high94Very high2 Ų251.6 Ų51.61%0.0131%0.309CS..Hα-helixtrans-65.4-45.5-178.5-68.8170.3000111W215 D219 L220 L247 I276 Q277 A278 G282 I283W215-I280 HydrophobicContact CB-CD1 3.51Å; W215-I280 HydrophobicContact CD2-CD1 4Å; W215-I280 HydrophobicContact CG-CD1 3.48Å; W215-I280 VanDerWaalsContact CG-CD1 3.48Å; W215-I280 WeakPolarHBondContact O-CG2 3.49Å; D219-I280 HydrophobicContact CB-CG2 3.96Å; L220-I280 HydrophobicContact CD2-CG2 4.03Å; L220-I280 HydrophobicContact CG-CG2 4.26Å; L247-I280 HydrophobicContact CD1-CD1 4.23Å; L247-I280 HydrophobicContact CD1-CG1 4.48Å; I276-I280 HydrophobicContact CG2-CD1 3.65Å; I276-I280 HydrophobicContact CG2-CG1 4.33Å; I276-I280 VanDerWaalsContact O-CG1 3.29Å; I276-I280 WeakPolarHBondContact O-CG1 3.48Å; I276-I280 PolarHBondContact O-N 2.82Å; Q277-I280 PolarHBondContact O-N 3.42Å; A278-I280 PolarHBondContact O-N 2.93Å; I280-G282 PolarHBondContact O-N 3.01Å; I280-I283 VanDerWaalsContact O-CB 3.28Å; I280-I283 WeakPolarHBondContact O-CB 3.42Å; I280-I283 WeakPolarHBondContact O-CG2 3.28Å; I280-I283 PolarHBondContact O-N 2.8Å; I280-I283 VanDerWaalsContact O-N 3.1Å
281K96.3Very high94.8Very high109 Ų10955 Ų5547%0.47432%0.317SS..Hα-helixtrans-59.7-34.3175.6-72176.7-178.6173.40112.1D219 Q277 A278D219-K281 HydrophobicContact CB-CG 4.12Å; D219-K281 WeakPolarHBondContact O-CG 3.32Å; D219-K281 WeakPolarHBondContact OD1-CE 3.23Å; D219-K281 IonicContact OD1-NZ 3.01Å; Q277-K281 HydrophobicContact CG-CD 4.1Å; Q277-K281 VanDerWaalsContact NE2-NZ 3.2Å; Q277-K281 WeakPolarHBondContact O-CG 3.41Å; Q277-K281 PolarHBondContact O-N 3.11Å; A278-K281 PolarHBondContact O-N 3.21Å
282G96.6Very high95.4Very high36 Ų3648.9 Ų48.937%0.37129%0.291SS..THydrogen-bonded Turntrans-86.1-1.3177.500000115.5A278 F279 I280 G284 S285A278-G282 PolarHBondContact O-N 3.28Å; F279-G282 CarbonylContact O-C 3.47Å; F279-G282 PolarHBondContact O-N 3.46Å; I280-G282 PolarHBondContact O-N 3.01Å; G282-G284 PolarHBondContact O-N 3.4Å; G282-G284 VanDerWaalsContact O-N 3.11Å; G282-S285 WeakPolarHBondContact O-CB 3.4Å; G282-S285 PolarHBondContact O-N 3.33Å; G282-S285 VanDerWaalsContact O-N 3.14Å; G282-S285 PolarHBondContact O-OG 3.25Å
283I97.1Very high95.8Very high0 Ų048.9 Ų48.90%029%0.291CS..G310 helixtrans-62-28.3-167.4-159.3175.5000113.4L220 P221 L247 F279 I280 S285 T286 V287L220-I283 HydrophobicContact CD2-CG2 4.03Å; P221-I283 HydrophobicContact CG-CG2 4.06Å; L247-I283 HydrophobicContact CD2-CD1 3.42Å; L247-I283 VanDerWaalsContact CD2-CD1 3.42Å; F279-I283 HydrophobicContact CE1-CD1 4.27Å; F279-I283 HydrophobicContact CE1-CG1 4.48Å; F279-I283 HydrophobicContact CZ-CD1 4.36Å; F279-I283 HydrophobicContact CZ-CG1 4.25Å; F279-I283 PolarHBondContact O-N 3.1Å; I280-I283 VanDerWaalsContact O-CB 3.28Å; I280-I283 WeakPolarHBondContact O-CB 3.42Å; I280-I283 WeakPolarHBondContact O-CG2 3.28Å; I280-I283 PolarHBondContact O-N 2.8Å; I280-I283 VanDerWaalsContact O-N 3.1Å; I283-S285 PolarHBondContact O-N 3.04Å; I283-S285 VanDerWaalsContact O-N 3.09Å; I283-T286 PolarHBondContact O-N 2.99Å; I283-T286 PolarHBondContact O-OG1 3.38Å; I283-V287 HydrophobicContact CD1-CB 4.35Å; I283-V287 HydrophobicContact CD1-CG2 4.35Å; I283-V287 HydrophobicContact CG1-CB 3.98Å; I283-V287 HydrophobicContact CG1-CG2 3.97Å; I283-V287 PolarHBondContact O-N 3.08Å
284G94.6Very high96.2Very high44 Ų4451.4 Ų51.445%0.45431%0.305SS..G310 helixtrans-61.3-18.4179.600000114.6G282 T286G282-G284 PolarHBondContact O-N 3.4Å; G282-G284 VanDerWaalsContact O-N 3.11Å; G284-T286 VanDerWaalsContact C-N 3.29Å; G284-T286 PolarHBondContact O-N 2.99Å
285S94.6Very high96.4Very high105 Ų10551.8 Ų51.873%0.73430%0.298SS*.G310 helixtrans-71.1-21173.961.30000113.8G282 I283G282-S285 WeakPolarHBondContact O-CB 3.4Å; G282-S285 PolarHBondContact O-N 3.33Å; G282-S285 VanDerWaalsContact O-N 3.14Å; G282-S285 PolarHBondContact O-OG 3.25Å; I283-S285 PolarHBondContact O-N 3.04Å; I283-S285 VanDerWaalsContact O-N 3.09Å
286T94.6Very high96.6Very high102 Ų10249 Ų4963%0.62628%0.283SS*.THydrogen-bonded Turntrans-130.3-24.6-170.855.50000114.6I283 G284I283-T286 PolarHBondContact O-N 2.99Å; I283-T286 PolarHBondContact O-OG1 3.38Å; G284-T286 VanDerWaalsContact C-N 3.29Å; G284-T286 PolarHBondContact O-N 2.99Å
287V97.2Very high96.6Very high10 Ų1051 Ų516%0.06129%0.292CS..  trans-130124.4-176.4-172.90000108.6H224 F250 I283 K291 L292H224-V287 PolarHBondContact NE2-O 2.71Å; F250-V287 HydrophobicContact CD1-CG2 3.75Å; F250-V287 HydrophobicContact CD2-CG1 4.46Å; F250-V287 HydrophobicContact CE1-CG1 4.04Å; F250-V287 HydrophobicContact CE1-CG2 3.85Å; F250-V287 HydrophobicContact CE2-CG1 3.91Å; F250-V287 HydrophobicContact CG-CG2 4.11Å; F250-V287 HydrophobicContact CZ-CG1 3.67Å; F250-V287 HydrophobicContact CZ-CG2 4.29Å; I283-V287 HydrophobicContact CD1-CB 4.35Å; I283-V287 HydrophobicContact CD1-CG2 4.35Å; I283-V287 HydrophobicContact CG1-CB 3.98Å; I283-V287 HydrophobicContact CG1-CG2 3.97Å; I283-V287 PolarHBondContact O-N 3.08Å; V287-K291 HydrophobicContact CG1-CB 3.85Å; V287-K291 HydrophobicContact CG1-CG 4.11Å; V287-L292 HydrophobicContact CG1-CB 4.21Å
288T96.8Very high96.7Very high79 Ų7952.8 Ų52.849%0.48531%0.309SS..  trans-76.1160.1174.167.70000111.4E290 K291 L292T288-E290 VanDerWaalsContact C-N 3.25Å; T288-E290 PolarHBondContact O-N 3.49Å; T288-K291 PolarHBondContact O-N 3.14Å; T288-K291 VanDerWaalsContact O-N 3.13Å; T288-K291 WeakPolarHBondContact OG1-CB 3.44Å; T288-K291 PolarHBondContact OG1-N 3.02Å; T288-L292 PolarHBondContact O-N 3.11Å
289P96.6Very high96.5Very high21 Ų2150.3 Ų50.314%0.13629%0.287CS..Hα-helixtrans-53.2-41.8174.3-27.636.5000113.2A223 R227 K291 L292 L293A223-P289 HydrophobicContact CB-CG 4.23Å; R227-P289 HydrophobicContact CB-CB 4.08Å; R227-P289 HydrophobicContact CG-CB 3.74Å; P289-K291 PolarHBondContact O-N 3.05Å; P289-L292 PolarHBondContact O-N 3.42Å; P289-L293 PolarHBondContact O-N 3.49Å
290E96.2Very high96.3Very high109 Ų10960.4 Ų60.451%0.50932%0.324SS..Hα-helixtrans-64.2-42.7178.9-66.864-137.900110.9T288 L292 L293 E294T288-E290 VanDerWaalsContact C-N 3.25Å; T288-E290 PolarHBondContact O-N 3.49Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3.1Å; E290-L293 PolarHBondContact O-N 2.82Å; E290-E294 WeakPolarHBondContact O-CB 3.49Å; E290-E294 PolarHBondContact O-N 2.95Å
291K97.8Very high95.9Very high93 Ų9361 Ų6140%0.40433%0.327SS..Hα-helixtrans-66.3-36.7179.1-165.674.4-159162.50111.9F250 V287 T288 P289 E294 K295F250-K291 HydrophobicContact CZ-CG 4.38Å; V287-K291 HydrophobicContact CG1-CB 3.85Å; V287-K291 HydrophobicContact CG1-CG 4.11Å; T288-K291 PolarHBondContact O-N 3.14Å; T288-K291 VanDerWaalsContact O-N 3.13Å; T288-K291 WeakPolarHBondContact OG1-CB 3.44Å; T288-K291 PolarHBondContact OG1-N 3.02Å; P289-K291 PolarHBondContact O-N 3.05Å; K291-E294 WeakPolarHBondContact CD-OE2 3.15Å; K291-E294 VanDerWaalsContact NZ-CD 3.31Å; K291-E294 IonicContact NZ-OE1 2.9Å; K291-E294 PolarHBondContact NZ-OE1 3.32Å; K291-E294 VanDerWaalsContact NZ-OE1 3.14Å; K291-E294 IonicContact NZ-OE2 3.25Å; K291-E294 PolarHBondContact NZ-OE2 3.22Å; K291-K295 WeakPolarHBondContact O-CB 3.47Å; K291-K295 PolarHBondContact O-N 3.39Å; K291-K295 VanDerWaalsContact O-N 3.09Å
292L98.2Very high95.3Very high1 Ų156.8 Ų56.81%0.00531%0.31CS..Hα-helixtrans-63.2-48.2173.7177.360.6000111.1L220 H224 V243 A246 L247 F250 V287 T288 P289 E290 K295 S296L220-L292 HydrophobicContact CD1-CD2 4.23Å; L220-L292 HydrophobicContact CD2-CD2 4.11Å; H224-L292 HydrophobicContact CB-CD2 4.33Å; V243-L292 HydrophobicContact CG1-CD1 4.39Å; V243-L292 HydrophobicContact CG1-CD2 4.18Å; V243-L292 HydrophobicContact CG1-CG 4.43Å; A246-L292 HydrophobicContact CB-CD1 4.12Å; L247-L292 HydrophobicContact CD2-CD1 3.83Å; L247-L292 HydrophobicContact CD2-CD2 4.34Å; L247-L292 HydrophobicContact CG-CD1 4.31Å; F250-L292 HydrophobicContact CD2-CD1 4.23Å; F250-L292 HydrophobicContact CE2-CD1 3.99Å; V287-L292 HydrophobicContact CG1-CB 4.21Å; T288-L292 PolarHBondContact O-N 3.11Å; P289-L292 PolarHBondContact O-N 3.42Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3.1Å; L292-K295 PolarHBondContact O-N 3.12Å; L292-S296 WeakPolarHBondContact O-CB 3.38Å; L292-S296 PolarHBondContact O-N 3.36Å; L292-S296 PolarHBondContact O-OG 2.55Å
293L97.8Very high94.8Very high7 Ų757.4 Ų57.44%0.03731%0.308CS..Hα-helixtrans-66.1-44178.9-68.6-173.6000112.2R227 V228 V231 P289 E290 K295 S296 F297R227-L293 HydrophobicContact CB-CD1 4.02Å; V228-L293 HydrophobicContact CG2-CD2 4.1Å; V231-L293 HydrophobicContact CG2-CD1 4.26Å; P289-L293 PolarHBondContact O-N 3.49Å; E290-L293 PolarHBondContact O-N 2.82Å; L293-K295 VanDerWaalsContact C-N 3.26Å; L293-K295 PolarHBondContact O-N 3.41Å; L293-S296 WeakPolarHBondContact O-CB 3.32Å; L293-S296 PolarHBondContact O-N 2.96Å; L293-F297 HydrophobicContact CB-CD2 4.39Å; L293-F297 HydrophobicContact CB-CE2 4.48Å; L293-F297 HydrophobicContact CD2-CE2 4.2Å; L293-F297 WeakPolarHBondContact O-CD2 3.25Å; L293-F297 PolarHBondContact O-N 3.26Å
294E97.4Very high94.3Very high114 Ų11461.4 Ų61.453%0.53332%0.324SS..Hα-helixtrans-52.8-48174.9-172.8-160.5149.400110.4E290 K291 S296 F297 S298E290-E294 WeakPolarHBondContact O-CB 3.49Å; E290-E294 PolarHBondContact O-N 2.95Å; K291-E294 WeakPolarHBondContact CD-OE2 3.15Å; K291-E294 VanDerWaalsContact NZ-CD 3.31Å; K291-E294 IonicContact NZ-OE1 2.9Å; K291-E294 PolarHBondContact NZ-OE1 3.32Å; K291-E294 VanDerWaalsContact NZ-OE1 3.14Å; K291-E294 IonicContact NZ-OE2 3.25Å; K291-E294 PolarHBondContact NZ-OE2 3.22Å; E294-S296 PolarHBondContact O-N 3.36Å; E294-F297 PolarHBondContact O-N 2.69Å; E294-S298 WeakPolarHBondContact O-CB 3.36Å; E294-S298 PolarHBondContact O-N 3.11Å
295K97.8Very high93.8Very high78 Ų7867.9 Ų67.934%0.33934%0.339SS..Hα-helixtrans-66-37177.6-169.460.3170.1-173.60113A246 F250 K291 L292 L293 S298A246-K295 HydrophobicContact CB-CB 4.32Å; A246-K295 HydrophobicContact CB-CG 4.07Å; F250-K295 HydrophobicContact CE2-CB 3.87Å; F250-K295 HydrophobicContact CE2-CG 3.91Å; F250-K295 HydrophobicContact CZ-CB 3.87Å; F250-K295 HydrophobicContact CZ-CG 3.97Å; K291-K295 WeakPolarHBondContact O-CB 3.47Å; K291-K295 PolarHBondContact O-N 3.39Å; K291-K295 VanDerWaalsContact O-N 3.09Å; L292-K295 PolarHBondContact O-N 3.12Å; L293-K295 VanDerWaalsContact C-N 3.26Å; L293-K295 PolarHBondContact O-N 3.41Å; K295-S298 PolarHBondContact O-OG 2.96Å; K295-S298 VanDerWaalsContact O-OG 3.11Å
296S97.4Very high93.3Very high0 Ų067.5 Ų67.50%033%0.326CS..Hα-helixtrans-67.2-41.5179.9-58.80000111.9R242 A246 L292 L293 E294R242-S296 PolarHBondContact NH1-O 3.11Å; A246-S296 WeakPolarHBondContact CB-OG 3.43Å; L292-S296 WeakPolarHBondContact O-CB 3.38Å; L292-S296 PolarHBondContact O-N 3.36Å; L292-S296 PolarHBondContact O-OG 2.55Å; L293-S296 WeakPolarHBondContact O-CB 3.32Å; L293-S296 PolarHBondContact O-N 2.96Å; E294-S296 PolarHBondContact O-N 3.36Å
297F96.1Very high93Very high43 Ų4363.1 Ų63.119%0.18930%0.298CS..Hα-helixtrans-83.2-18.1179.8-71.9-72.2000113.6R40 V231 E235 V239 L293 E294 I299R40-F297 HydrophobicContact CG-CD2 4.4Å; R40-F297 HydrophobicContact CG-CE2 4.15Å; R40-F297 HydrophobicContact CG-CZ 4.26Å; V231-F297 HydrophobicContact CB-CE2 4.49Å; V231-F297 HydrophobicContact CB-CZ 4.17Å; V231-F297 HydrophobicContact CG1-CE1 4.22Å; V231-F297 HydrophobicContact CG1-CE2 4.03Å; V231-F297 HydrophobicContact CG1-CZ 3.39Å; V231-F297 HydrophobicContact CG2-CE2 4.37Å; E235-F297 WeakPolarHBondContact OE1-CE1 3.46Å; V239-F297 HydrophobicContact CG2-CZ 4.46Å; L293-F297 HydrophobicContact CB-CD2 4.39Å; L293-F297 HydrophobicContact CB-CE2 4.48Å; L293-F297 HydrophobicContact CD2-CE2 4.2Å; L293-F297 WeakPolarHBondContact O-CD2 3.25Å; L293-F297 PolarHBondContact O-N 3.26Å; E294-F297 PolarHBondContact O-N 2.69Å; F297-I299 PolarHBondContact O-N 2.9Å
298S96.2Very high92.5Very high75 Ų7564.7 Ų64.752%0.52431%0.308SS..THydrogen-bonded Turntrans-67.2-15.4170920000113.1E294 K295 R300E294-S298 WeakPolarHBondContact O-CB 3.36Å; E294-S298 PolarHBondContact O-N 3.11Å; K295-S298 PolarHBondContact O-OG 2.96Å; K295-S298 VanDerWaalsContact O-OG 3.11Å; S298-R300 PolarHBondContact O-N 2.88Å
299I93.6Very high91.8Very high8 Ų866.4 Ų66.44%0.04131%0.314CS..SBendtrans-76.4121.7178.9-60.7163.3000108.9Y190 R242 I245 A246 F297 L301Y190-I299 HydrophobicContact CD1-CG2 3.96Å; Y190-I299 HydrophobicContact CG-CG2 4.24Å; R242-I299 PolarHBondContact NH1-O 3.31Å; I245-I299 HydrophobicContact CB-CD1 3.95Å; I245-I299 HydrophobicContact CG2-CD1 3.65Å; A246-I299 HydrophobicContact CB-CD1 4.36Å; F297-I299 PolarHBondContact O-N 2.9Å; I299-L301 HydrophobicContact CG2-CB 4.25Å; I299-L301 PolarHBondContact O-N 3.38Å
300R91.8Very high91.1Very high233 Ų23367.5 Ų67.588%0.87932%0.318SS*.  trans-80.769.3173.1-65.4-175.8-176.4179.60.5110.9Y190 S298Y190-R300 WeakPolarHBondContact CE1-O 3.19Å; Y190-R300 PolarHBondContact OH-O 2.98Å; S298-R300 PolarHBondContact O-N 2.88Å
301L89.6Confident90.5Very high13 Ų1363 Ų637%0.06830%0.297CS..PPolyproline II helixtrans-70.3140.1-177.1-167.866.1000111.7L186 Y190 K238 R242 I245 I299 I307L186-L301 HydrophobicContact CD1-CD1 4.38Å; L186-L301 HydrophobicContact CD2-CD1 3.91Å; Y190-L301 HydrophobicContact CD2-CD1 3.73Å; Y190-L301 HydrophobicContact CE2-CD1 3.56Å; Y190-L301 HydrophobicContact CG-CD1 4.36Å; K238-L301 HydrophobicContact CD-CD2 4.3Å; K238-L301 HydrophobicContact CG-CD2 3.74Å; K238-L301 PolarHBondContact NZ-O 2.87Å; R242-L301 HydrophobicContact CG-CB 4.47Å; R242-L301 HydrophobicContact CG-CD2 3.67Å; I245-L301 HydrophobicContact CD1-CD1 3.88Å; I299-L301 HydrophobicContact CG2-CB 4.25Å; I299-L301 PolarHBondContact O-N 3.38Å; L301-I307 HydrophobicContact CD2-CD1 4.07Å; L301-I307 HydrophobicContact CG-CD1 4.37Å
302I83.2Confident89.7Confident21 Ų2161.2 Ų61.211%0.10829%0.294CS..PPolyproline II helixtrans-47.9149.817352.2164.9000112.6L186 Y190 K238 E306 I307 L310L186-I302 HydrophobicContact CD2-CD1 3.86Å; L186-I302 HydrophobicContact CD2-CG1 3.97Å; Y190-I302 WeakPolarHBondContact OH-CG2 3.37Å; Y190-I302 PolarHBondContact OH-N 3.48Å; K238-I302 WeakPolarHBondContact CE-O 3.5Å; K238-I302 PolarHBondContact NZ-O 3.03Å; I302-E306 HydrophobicContact CB-CB 3.91Å; I302-E306 HydrophobicContact CD1-CB 3.94Å; I302-E306 HydrophobicContact CG1-CB 4.37Å; I302-I307 HydrophobicContact CD1-CG1 3.77Å; I302-I307 HydrophobicContact CG1-CD1 4.43Å; I302-I307 HydrophobicContact CG1-CG1 3.72Å; I302-L310 HydrophobicContact CD1-CD2 4.48Å
303S87.4Confident88.7Confident49 Ų4964.8 Ų64.834%0.34332%0.316SS..PPolyproline II helixtrans-57.6163.1-17771.40000113.1K305 E306 I307S303-K305 VanDerWaalsContact C-N 3.26Å; S303-K305 PolarHBondContact O-N 3.48Å; S303-E306 WeakPolarHBondContact CA-OE2 3.41Å; S303-E306 WeakPolarHBondContact CB-OE2 3.26Å; S303-E306 PolarHBondContact N-OE2 3.48Å; S303-E306 PolarHBondContact O-N 2.97Å; S303-E306 VanDerWaalsContact OG-CG 3.29Å; S303-E306 WeakPolarHBondContact OG-CG 3.34Å; S303-E306 PolarHBondContact OG-N 3.4Å; S303-E306 PolarHBondContact OG-OE2 2.78Å; S303-I307 WeakPolarHBondContact O-CG1 3.47Å; S303-I307 PolarHBondContact O-N 3.12Å
304R86.1Confident87.8Confident85 Ų8565.1 Ų65.132%0.32132%0.318SS..Hα-helixtrans-60.3-38.3176.3-70-169.5-172.1-179.59.5112E235 K238 I307 T308E235-R304 VanDerWaalsContact O-CZ 3.23Å; E235-R304 PolarHBondContact O-NH2 3.04Å; K238-R304 HydrophobicContact CB-CG 4.46Å; K238-R304 HydrophobicContact CD-CG 4.13Å; R304-I307 PolarHBondContact O-N 3.26Å; R304-T308 WeakPolarHBondContact O-CB 3.19Å; R304-T308 PolarHBondContact O-N 3.42Å; R304-T308 PolarHBondContact O-OG1 3.26Å
305K84.1Confident86.9Confident180 Ų18061.8 Ų61.878%0.78330%0.302SS*.Hα-helixtrans-61.4-45.4176.7-67.8-173.7176.6-174.80111.2S303 T308 L309S303-K305 VanDerWaalsContact C-N 3.26Å; S303-K305 PolarHBondContact O-N 3.48Å; K305-T308 PolarHBondContact O-N 2.9Å; K305-L309 WeakPolarHBondContact O-CB 3.36Å; K305-L309 PolarHBondContact O-N 2.92Å
306E84.1Confident85.6Confident97 Ų9763.9 Ų63.945%0.45331%0.311SS..Hα-helixtrans-66.1-39.1177-70.3164.9113.900112.5I302 S303 T308 L309 L310I302-E306 HydrophobicContact CB-CB 3.91Å; I302-E306 HydrophobicContact CD1-CB 3.94Å; I302-E306 HydrophobicContact CG1-CB 4.37Å; S303-E306 WeakPolarHBondContact CA-OE2 3.41Å; S303-E306 WeakPolarHBondContact CB-OE2 3.26Å; S303-E306 PolarHBondContact N-OE2 3.48Å; S303-E306 PolarHBondContact O-N 2.97Å; S303-E306 VanDerWaalsContact OG-CG 3.29Å; S303-E306 WeakPolarHBondContact OG-CG 3.34Å; S303-E306 PolarHBondContact OG-N 3.4Å; S303-E306 PolarHBondContact OG-OE2 2.78Å; E306-T308 VanDerWaalsContact C-N 3.35Å; E306-L309 PolarHBondContact O-N 3.29Å; E306-L310 WeakPolarHBondContact O-CB 3.43Å; E306-L310 PolarHBondContact O-N 2.9Å
307I87.6Confident84.1Confident9 Ų965.3 Ų65.35%0.04632%0.321CS..Hα-helixtrans-62.8-44.8173.7-66.5172.3000110.3T182 K238 Y241 L301 I302 S303 R304 L309 L310 Q311T182-I307 HydrophobicContact CG2-CG2 4.45Å; K238-I307 HydrophobicContact CB-CD1 4.25Å; K238-I307 HydrophobicContact CD-CD1 3.85Å; K238-I307 HydrophobicContact CG-CD1 3.69Å; Y241-I307 HydrophobicContact CD2-CD1 4.33Å; Y241-I307 HydrophobicContact CD2-CG2 4.23Å; Y241-I307 HydrophobicContact CE2-CG2 3.76Å; L301-I307 HydrophobicContact CD2-CD1 4.07Å; L301-I307 HydrophobicContact CG-CD1 4.37Å; I302-I307 HydrophobicContact CD1-CG1 3.77Å; I302-I307 HydrophobicContact CG1-CD1 4.43Å; I302-I307 HydrophobicContact CG1-CG1 3.72Å; S303-I307 WeakPolarHBondContact O-CG1 3.47Å; S303-I307 PolarHBondContact O-N 3.12Å; R304-I307 PolarHBondContact O-N 3.26Å; I307-L309 VanDerWaalsContact C-N 3.32Å; I307-L309 PolarHBondContact O-N 3.5Å; I307-L310 PolarHBondContact O-N 2.83Å; I307-Q311 HydrophobicContact CG2-CG 4.44Å; I307-Q311 WeakPolarHBondContact O-CG 3.49Å; I307-Q311 PolarHBondContact O-N 3.32Å
308T86.3Confident82.7Confident43 Ų4363.7 Ų63.726%0.26432%0.315SS..Hα-helixtrans-61.4-44178.6-540000110.5R304 K305 E306 L310 Q311 V312R304-T308 WeakPolarHBondContact O-CB 3.19Å; R304-T308 PolarHBondContact O-N 3.42Å; R304-T308 PolarHBondContact O-OG1 3.26Å; K305-T308 PolarHBondContact O-N 2.9Å; E306-T308 VanDerWaalsContact C-N 3.35Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 3.36Å; T308-Q311 PolarHBondContact O-N 2.94Å; T308-V312 WeakPolarHBondContact O-CG2 3.41Å; T308-V312 PolarHBondContact O-N 3.08Å
309L83.6Confident81Confident116 Ų11664.4 Ų64.461%0.60731%0.31SS*.Hα-helixtrans-61.5-43.9176.4-177.561.7000111.3K305 E306 I307 Q311 V312 T313K305-L309 WeakPolarHBondContact O-CB 3.36Å; K305-L309 PolarHBondContact O-N 2.92Å; E306-L309 PolarHBondContact O-N 3.29Å; I307-L309 VanDerWaalsContact C-N 3.32Å; I307-L309 PolarHBondContact O-N 3.5Å; L309-Q311 PolarHBondContact O-N 3.23Å; L309-V312 PolarHBondContact O-N 3.49Å; L309-T313 PolarHBondContact O-N 2.94Å; L309-T313 PolarHBondContact O-OG1 2.92Å
310L81.5Confident79.2Confident44 Ų4471.9 Ų71.923%0.2334%0.344CS..Hα-helixtrans-62.4-41.7177.4-174.956.4000112.1T182 D185 I302 E306 I307 T308 T313 N314T182-L310 HydrophobicContact CG2-CD2 4Å; T182-L310 HydrophobicContact CG2-CG 4.21Å; D185-L310 HydrophobicContact CB-CD2 4.01Å; I302-L310 HydrophobicContact CD1-CD2 4.48Å; E306-L310 WeakPolarHBondContact O-CB 3.43Å; E306-L310 PolarHBondContact O-N 2.9Å; I307-L310 PolarHBondContact O-N 2.83Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 3.36Å; L310-T313 PolarHBondContact O-N 3.03Å; L310-N314 WeakPolarHBondContact O-CB 3.43Å; L310-N314 VanDerWaalsContact O-CG 3.31Å; L310-N314 PolarHBondContact O-N 3.48Å
311Q84Confident77.1Confident13 Ų1367.5 Ų67.56%0.06133%0.332CS..Hα-helixtrans-62.9-45174.2-73175.4-35.800111.7S178 T182 Y241 I307 T308 L309 T313 N314 E315S178-Q311 WeakPolarHBondContact OG-CA 3.41Å; S178-Q311 PolarHBondContact OG-O 2.69Å; T182-Q311 HydrophobicContact CG2-CG 4.04Å; T182-Q311 WeakPolarHBondContact OG1-CG 3.21Å; Y241-Q311 PolarHBondContact OH-NE2 2.98Å; I307-Q311 HydrophobicContact CG2-CG 4.44Å; I307-Q311 WeakPolarHBondContact O-CG 3.49Å; I307-Q311 PolarHBondContact O-N 3.32Å; T308-Q311 PolarHBondContact O-N 2.94Å; L309-Q311 PolarHBondContact O-N 3.23Å; Q311-T313 VanDerWaalsContact C-N 3.31Å; Q311-T313 PolarHBondContact O-N 3.41Å; Q311-N314 PolarHBondContact O-N 3.46Å; Q311-E315 VanDerWaalsContact O-CB 3.25Å; Q311-E315 WeakPolarHBondContact O-CB 3.45Å; Q311-E315 PolarHBondContact O-N 3.44Å
312V80.1Confident75.1Confident57 Ų5769.7 Ų69.735%0.34536%0.358SS..Hα-helixtrans-62.9-38.8177170.50000111.2T308 L309 E315 K316T308-V312 WeakPolarHBondContact O-CG2 3.41Å; T308-V312 PolarHBondContact O-N 3.08Å; L309-V312 PolarHBondContact O-N 3.49Å; V312-E315 PolarHBondContact O-N 3.14Å; V312-K316 HydrophobicContact CG1-CD 4.4Å; V312-K316 WeakPolarHBondContact O-CG 3.29Å; V312-K316 PolarHBondContact O-N 3.46Å
313T77.6Confident73.9Confident75 Ų7572 Ų7246%0.4637%0.37SS..Hα-helixtrans-63.8-45174.8-61.40000111.7L309 L310 Q311 K316 S317L309-T313 PolarHBondContact O-N 2.94Å; L309-T313 PolarHBondContact O-OG1 2.92Å; L310-T313 PolarHBondContact O-N 3.03Å; Q311-T313 VanDerWaalsContact C-N 3.31Å; Q311-T313 PolarHBondContact O-N 3.41Å; T313-K316 PolarHBondContact O-N 3.31Å; T313-S317 PolarHBondContact O-N 3.26Å
314N79.2Confident72.2Confident14 Ų1473.3 Ų73.38%0.07538%0.376CS..Hα-helixtrans-66.4-39.5178.3-71.4-11.8000111.6M181 T182 D185 L310 Q311 S317 L318M181-N314 HydrophobicContact CB-CB 4.09Å; M181-N314 WeakPolarHBondContact CB-ND2 3.48Å; M181-N314 HydrophobicContact SD-CB 4.33Å; T182-N314 WeakPolarHBondContact CA-ND2 3.45Å; T182-N314 PolarHBondContact N-ND2 3.06Å; T182-N314 VanDerWaalsContact N-ND2 3.12Å; T182-N314 PolarHBondContact OG1-ND2 3.14Å; T182-N314 VanDerWaalsContact OG1-ND2 3.08Å; D185-N314 PolarHBondContact OD2-ND2 3.42Å; D185-N314 VanDerWaalsContact OD2-ND2 3.08Å; L310-N314 WeakPolarHBondContact O-CB 3.43Å; L310-N314 VanDerWaalsContact O-CG 3.31Å; L310-N314 PolarHBondContact O-N 3.48Å; Q311-N314 PolarHBondContact O-N 3.46Å; N314-S317 WeakPolarHBondContact O-CB 3.34Å; N314-S317 PolarHBondContact O-N 3.02Å; N314-L318 WeakPolarHBondContact O-CG 3.25Å; N314-L318 PolarHBondContact O-N 2.76Å
315E77.1Confident70.6Confident45 Ų4574 Ų7421%0.2139%0.389CS..Hα-helixtrans-60.1-47.8174.1174.8160.7-176.100111.7L174 Q311 V312 S317 L318 Q319L174-E315 HydrophobicContact CD1-CG 4.11Å; L174-E315 HydrophobicContact CD2-CG 3.68Å; L174-E315 WeakPolarHBondContact CD2-OE1 3.46Å; L174-E315 HydrophobicContact CG-CG 3.69Å; Q311-E315 VanDerWaalsContact O-CB 3.25Å; Q311-E315 WeakPolarHBondContact O-CB 3.45Å; Q311-E315 PolarHBondContact O-N 3.44Å; V312-E315 PolarHBondContact O-N 3.14Å; E315-S317 VanDerWaalsContact C-N 3.3Å; E315-S317 PolarHBondContact O-N 3.37Å; E315-L318 PolarHBondContact O-N 2.88Å; E315-Q319 WeakPolarHBondContact O-CG 3.49Å; E315-Q319 PolarHBondContact O-N 2.89Å
316K71.8Confident68.8Low121 Ų12169.1 Ų69.153%0.52637%0.368SS..Hα-helixtrans-60.7-38.9173.9-73.8179-179.5-174.50112.5V312 T313 Q319 Q320V312-K316 HydrophobicContact CG1-CD 4.4Å; V312-K316 WeakPolarHBondContact O-CG 3.29Å; V312-K316 PolarHBondContact O-N 3.46Å; T313-K316 PolarHBondContact O-N 3.31Å; K316-Q319 PolarHBondContact O-N 2.82Å; K316-Q320 WeakPolarHBondContact O-CB 3Å; K316-Q320 VanDerWaalsContact O-CG 3.26Å; K316-Q320 WeakPolarHBondContact O-CG 3.4Å; K316-Q320 PolarHBondContact O-N 3.37Å
317S65.1Low66.8Low31 Ų3170 Ų7022%0.21737%0.372CS..Hα-helixtrans-64.8-40.1176.9-173.80000111.9T313 N314 E315 Q320 K321T313-S317 PolarHBondContact O-N 3.26Å; N314-S317 WeakPolarHBondContact O-CB 3.34Å; N314-S317 PolarHBondContact O-N 3.02Å; E315-S317 VanDerWaalsContact C-N 3.3Å; E315-S317 PolarHBondContact O-N 3.37Å; S317-Q320 PolarHBondContact O-N 3.09Å; S317-K321 VanDerWaalsContact O-CG 3.24Å; S317-K321 WeakPolarHBondContact O-CG 3.35Å; S317-K321 PolarHBondContact O-N 3.46Å; S317-K321 VanDerWaalsContact O-N 3.13Å
318L65.9Low64.5Low9 Ų976 Ų765%0.04740%0.398CS..Hα-helixtrans-64.5-44.4174.6-71.3168.2000111.4L174 E177 M181 N314 E315 Q320 K321 G322 I323L174-L318 HydrophobicContact CD1-CB 3.6Å; L174-L318 HydrophobicContact CD1-CD1 3.88Å; L174-L318 HydrophobicContact CD1-CG 4.4Å; E177-L318 HydrophobicContact CB-CD1 3.68Å; M181-L318 HydrophobicContact SD-CD1 3.95Å; M181-L318 HydrophobicContact SD-CD2 3.69Å; M181-L318 HydrophobicContact SD-CG 3.71Å; N314-L318 WeakPolarHBondContact O-CG 3.25Å; N314-L318 PolarHBondContact O-N 2.76Å; E315-L318 PolarHBondContact O-N 2.88Å; L318-Q320 PolarHBondContact O-N 3.1Å; L318-K321 CarbonylContact O-C 3.6Å; L318-K321 WeakPolarHBondContact O-CA 3.28Å; L318-K321 WeakPolarHBondContact O-CB 3.35Å; L318-K321 PolarHBondContact O-N 2.76Å; L318-G322 PolarHBondContact O-N 3.1Å; L318-I323 CarbonylContact C-O 3.48Å; L318-I323 HydrophobicContact CB-CB 4.26Å; L318-I323 HydrophobicContact CD2-CB 4.16Å; L318-I323 HydrophobicContact CD2-CD1 3.92Å; L318-I323 HydrophobicContact CD2-CG2 4.15Å; L318-I323 PolarHBondContact O-N 3.34Å
319Q62.3Low62.1Low90 Ų9078.1 Ų78.142%0.42140%0.401SS..Hα-helixtrans-59.8-45.7175.2-71.3172.9-29.800112.2L174 E315 K316 K321 G322 T324L174-Q319 HydrophobicContact CD1-CG 4.4Å; L174-Q319 HydrophobicContact CD2-CG 3.78Å; E315-Q319 WeakPolarHBondContact O-CG 3.49Å; E315-Q319 PolarHBondContact O-N 2.89Å; K316-Q319 PolarHBondContact O-N 2.82Å; Q319-K321 PolarHBondContact O-N 2.91Å; Q319-G322 PolarHBondContact O-N 3.37Å; Q319-T324 HydrophobicContact CG-CG2 4.21Å
320Q55.3Low59.8Low164 Ų16481.3 Ų81.377%0.76641%0.405SS*.Hα-helixtrans-60.9-27.2175.4-75172.8-14.100112.9K316 S317 L318 G322K316-Q320 WeakPolarHBondContact O-CB 3Å; K316-Q320 VanDerWaalsContact O-CG 3.26Å; K316-Q320 WeakPolarHBondContact O-CG 3.4Å; K316-Q320 PolarHBondContact O-N 3.37Å; S317-Q320 PolarHBondContact O-N 3.09Å; L318-Q320 PolarHBondContact O-N 3.1Å; Q320-G322 VanDerWaalsContact C-N 3.31Å
321K48.1Very low57.6Low141 Ų14187.3 Ų87.361%0.61344%0.437SS*.THydrogen-bonded Turntrans-87.45.2174.8-68.5173.7-178.7-176.30113.4S317 L318 Q319 I323S317-K321 VanDerWaalsContact O-CG 3.24Å; S317-K321 WeakPolarHBondContact O-CG 3.35Å; S317-K321 PolarHBondContact O-N 3.46Å; S317-K321 VanDerWaalsContact O-N 3.13Å; L318-K321 CarbonylContact O-C 3.6Å; L318-K321 WeakPolarHBondContact O-CA 3.28Å; L318-K321 WeakPolarHBondContact O-CB 3.35Å; L318-K321 PolarHBondContact O-N 2.76Å; Q319-K321 PolarHBondContact O-N 2.91Å; K321-I323 VanDerWaalsContact C-N 3.26Å; K321-I323 HydrophobicContact CB-CD1 4.33Å; K321-I323 HydrophobicContact CB-CG1 4.37Å; K321-I323 PolarHBondContact O-N 3.26Å
322G47.7Very low55.5Low60 Ų6088.7 Ų88.762%0.61945%0.446SS*.THydrogen-bonded Turntrans74.69.1-177.700000114.8L318 Q319 Q320 T324L318-G322 PolarHBondContact O-N 3.1Å; Q319-G322 PolarHBondContact O-N 3.37Å; Q320-G322 VanDerWaalsContact C-N 3.31Å; G322-T324 PolarHBondContact O-N 3.47Å
323I56.5Low53.9Low70 Ų7094.5 Ų94.536%0.35947%0.47SS..  trans-91.895.4-179.8-56.3171.5000108.4F173 L174 L318 K321F173-I323 HydrophobicContact CE1-CG2 3.78Å; F173-I323 HydrophobicContact CZ-CG2 4.43Å; L174-I323 WeakPolarHBondContact CD1-O 3.21Å; L318-I323 CarbonylContact C-O 3.48Å; L318-I323 HydrophobicContact CB-CB 4.26Å; L318-I323 HydrophobicContact CD2-CB 4.16Å; L318-I323 HydrophobicContact CD2-CD1 3.92Å; L318-I323 HydrophobicContact CD2-CG2 4.15Å; L318-I323 PolarHBondContact O-N 3.34Å; K321-I323 VanDerWaalsContact C-N 3.26Å; K321-I323 HydrophobicContact CB-CD1 4.33Å; K321-I323 HydrophobicContact CB-CG1 4.37Å; K321-I323 PolarHBondContact O-N 3.26Å
324T53.2Low52.7Low76 Ų7692.1 Ų92.147%0.46645%0.454SS..  trans-121.4-26.8-177.658.20000113.9Q319 G322Q319-T324 HydrophobicContact CG-CG2 4.21Å; G322-T324 PolarHBondContact O-N 3.47Å
325V52.1Low51.5Low99 Ų9993.2 Ų93.260%0.647%0.465SS*.SBendtrans-143.8148.2-176.3-175.80000111.1Q327V325-Q327 PolarHBondContact O-N 3.49Å
326K45.1Very low50.8Low77 Ų7792.1 Ų92.134%0.33546%0.461SS..  trans-81.696.8168.9-161.5173-174.9172.20109.5D97 F173 K328D97-K326 IonicContact OD1-NZ 3.72Å; D97-K326 PolarHBondContact OD1-NZ 3.11Å; D97-K326 IonicContact OD2-NZ 3.4Å; D97-K326 PolarHBondContact OD2-NZ 3.33Å; F173-K326 HydrophobicContact CB-CB 4.13Å; F173-K326 HydrophobicContact CD1-CB 4.13Å; F173-K326 HydrophobicContact CD2-CB 3.47Å; F173-K326 VanDerWaalsContact CD2-CB 3.47Å; F173-K326 HydrophobicContact CD2-CD 4.02Å; F173-K326 HydrophobicContact CD2-CG 4.05Å; F173-K326 HydrophobicContact CE1-CB 4.35Å; F173-K326 HydrophobicContact CE2-CB 3.73Å; F173-K326 HydrophobicContact CE2-CD 3.96Å; F173-K326 HydrophobicContact CE2-CG 3.89Å; F173-K326 HydrophobicContact CG-CB 3.64Å; F173-K326 HydrophobicContact CZ-CB 4.15Å; F173-K326 HydrophobicContact CZ-CG 4.39Å; K326-K328 VanDerWaalsContact C-N 3.34Å; K326-K328 PolarHBondContact O-N 3.01Å
327Q43.7Very low50.6Low117 Ų11789.8 Ų89.855%0.54745%0.454SS..  trans-77.189.8165.9-82179.5-9.100108.8V325 R329V325-Q327 PolarHBondContact O-N 3.49Å; Q327-R329 PolarHBondContact O-N 2.71Å
328K37.5Very low50.6Low134 Ų13492.6 Ų92.658%0.58347%0.471SS*.  trans-82.371.8170.1-157.8175.8-169.6170.50108D97 K326 R330D97-K328 IonicContact OD1-NZ 2.94Å; D97-K328 PolarHBondContact OD1-NZ 2.83Å; K326-K328 VanDerWaalsContact C-N 3.34Å; K326-K328 PolarHBondContact O-N 3.01Å; K328-R330 PolarHBondContact O-N 2.65Å
329R37.7Very low50.7Low87 Ų8799.4 Ų99.433%0.32851%0.508SS..  trans-68.6132.2170.7-74-167.6-176.786.57.8108.3Q327 N331 S356 W357 I358Q327-R329 PolarHBondContact O-N 2.71Å; R329-N331 PolarHBondContact O-N 2.62Å; R329-S356 WeakPolarHBondContact CD-O 3.34Å; R329-S356 PolarHBondContact NE-O 2.75Å; R329-S356 PolarHBondContact NH1-O 2.83Å; R329-W357 VanDerWaalsContact CZ-C 3.46Å; R329-W357 PolarHBondContact NH2-O 2.94Å; R329-I358 PolarHBondContact NE-O 3.3Å
330R33.8Very low51.1Low184 Ų184100.1 Ų100.169%0.69452%0.518SS*.  trans-53.6140.8162.9-73.1176.6176.4-178.70.8106.2K328 V332K328-R330 PolarHBondContact O-N 2.65Å; R330-V332 HydrophobicContact CB-CG2 4.41Å; R330-V332 PolarHBondContact O-N 2.87Å
331N35.1Very low52.4Low170 Ų17093.7 Ų93.791%0.90949%0.488SS*.  trans-61.878.1161.1-77-23.4000106.5R329 Q333R329-N331 PolarHBondContact O-N 2.62Å; N331-Q333 PolarHBondContact O-N 2.84Å; N331-Q333 VanDerWaalsContact O-N 3.12Å
332V40.1Very low54.3Low41 Ų4191.6 Ų91.625%0.24849%0.491CS..  trans-64.1110.9159.3-175.40000102.1R330 L334 E360 A363 L364R330-V332 HydrophobicContact CB-CG2 4.41Å; R330-V332 PolarHBondContact O-N 2.87Å; V332-L334 PolarHBondContact O-N 3.18Å; V332-E360 HydrophobicContact CG2-CG 4.13Å; V332-A363 HydrophobicContact CB-CB 4.23Å; V332-A363 HydrophobicContact CG1-CB 3.99Å; V332-A363 HydrophobicContact CG2-CB 4.38Å; V332-L364 HydrophobicContact CG1-CD2 3.68Å; V332-L364 HydrophobicContact CG1-CG 4.45Å
333Q46.3Very low56.4Low180 Ų18089.8 Ų89.884%0.84147%0.469SS*.  trans-55101.8171-127.1171.6-16.300105.1N331 A335N331-Q333 PolarHBondContact O-N 2.84Å; N331-Q333 VanDerWaalsContact O-N 3.12Å; Q333-A335 PolarHBondContact O-N 2.79Å
334L52.5Low58.2Low24 Ų2491.6 Ų91.613%0.12648%0.476CS..  trans-57.1130179.3-83.3156.5000106.9V332 L336 H352 W355V332-L334 PolarHBondContact O-N 3.18Å; L334-L336 HydrophobicContact CB-CB 4.25Å; L334-L336 HydrophobicContact CB-CD1 4.04Å; L334-L336 HydrophobicContact CB-CG 4.12Å; L334-L336 HydrophobicContact CD1-CD1 4.2Å; L334-L336 HydrophobicContact CD2-CD1 4.16Å; L334-L336 HydrophobicContact CD2-CG 4.49Å; L334-L336 HydrophobicContact CG-CD1 4.36Å; L334-L336 PolarHBondContact O-N 2.6Å; L334-H352 HydrophobicContact CD1-CB 4.31Å; L334-H352 WeakPolarHBondContact CD1-CD2 3.39Å; L334-H352 WeakPolarHBondContact CD1-NE2 3.28Å; L334-H352 WeakPolarHBondContact CD1-O 3.16Å; L334-W355 HydrophobicContact CD1-CB 4.23Å; L334-W355 HydrophobicContact CD2-CB 3.64Å; L334-W355 HydrophobicContact CD2-CG 3.61Å
335A54.7Low60.1Low37 Ų3788.2 Ų88.231%0.30646%0.455SS..  trans-73.132.6170.800000111.3Q333 D337 Q366Q333-A335 PolarHBondContact O-N 2.79Å; A335-D337 PolarHBondContact O-N 3.29Å; A335-Q366 HydrophobicContact CB-CG 4.24Å; A335-Q366 PolarHBondContact O-NE2 3.48Å; A335-Q366 VanDerWaalsContact O-NE2 3.14Å
336L62.7Low61.9Low23 Ų2383.9 Ų83.912%0.1243%0.428CS..  trans-84.798.5171.9-72170.4000106.8L334 P338 M351 H352 W355 P367L334-L336 HydrophobicContact CB-CB 4.25Å; L334-L336 HydrophobicContact CB-CD1 4.04Å; L334-L336 HydrophobicContact CB-CG 4.12Å; L334-L336 HydrophobicContact CD1-CD1 4.2Å; L334-L336 HydrophobicContact CD2-CD1 4.16Å; L334-L336 HydrophobicContact CD2-CG 4.49Å; L334-L336 HydrophobicContact CG-CD1 4.36Å; L334-L336 PolarHBondContact O-N 2.6Å; L336-P338 VanDerWaalsContact O-CD 3.23Å; L336-P338 WeakPolarHBondContact O-CD 3.32Å; L336-M351 HydrophobicContact CD1-CG 4.45Å; L336-M351 HydrophobicContact CD2-CG 4.38Å; L336-H352 HydrophobicContact CD1-CB 3.87Å; L336-W355 HydrophobicContact CD1-CB 4.06Å; L336-W355 HydrophobicContact CD1-CG 4.35Å; L336-P367 HydrophobicContact CD2-CB 4.41Å; L336-P367 HydrophobicContact CD2-CG 3.32Å
337D66.3Low63.8Low71 Ų7182.6 Ų82.638%0.3843%0.429SS..  trans-73.5112167-177.7-8000108.2A335 D339 T340 F341A335-D337 PolarHBondContact O-N 3.29Å; D337-D339 PolarHBondContact O-N 3Å; D337-D339 VanDerWaalsContact O-N 3.16Å; D337-D339 WeakPolarHBondContact OD1-CB 3.37Å; D337-D339 PolarHBondContact OD1-N 2.7Å; D337-T340 HydrophobicContact CB-CG2 4.47Å; D337-T340 WeakPolarHBondContact CB-OG1 3.18Å; D337-T340 PolarHBondContact O-N 3.15Å; D337-T340 VanDerWaalsContact O-N 3.15Å; D337-T340 PolarHBondContact O-OG1 3.26Å; D337-F341 PolarHBondContact O-N 2.86Å
338P66.1Low65.6Low91 Ų9178.7 Ų78.759%0.59142%0.417SS*.THydrogen-bonded Turntrans-60.6-23.5-178.6-19.632.9000112.9L336 A348L336-P338 VanDerWaalsContact O-CD 3.23Å; L336-P338 WeakPolarHBondContact O-CD 3.32Å; P338-A348 HydrophobicContact CB-CB 4.49Å
339D67.2Low67.6Low152 Ų15278.1 Ų78.181%0.81342%0.415SS*.THydrogen-bonded Turntrans-80.1-19.7-177.7-65.3-29.1000112.1D337D337-D339 PolarHBondContact O-N 3Å; D337-D339 VanDerWaalsContact O-N 3.16Å; D337-D339 WeakPolarHBondContact OD1-CB 3.37Å; D337-D339 PolarHBondContact OD1-N 2.7Å
340T71.9Confident69.7Low105 Ų10575.1 Ų75.164%0.64440%0.404SS*.THydrogen-bonded Turntrans-105.8-15.7179.760.90000114.1D337D337-T340 HydrophobicContact CB-CG2 4.47Å; D337-T340 WeakPolarHBondContact CB-OG1 3.18Å; D337-T340 PolarHBondContact O-N 3.15Å; D337-T340 VanDerWaalsContact O-N 3.15Å; D337-T340 PolarHBondContact O-OG1 3.26Å
341F83.3Confident72.1Confident29 Ų2966.4 Ų66.413%0.12737%0.371CS..  trans-78.6130.2-179.1178.2-96000112.2D337 S343 V346 A348 M351 P367 W585D337-F341 PolarHBondContact O-N 2.86Å; F341-S343 VanDerWaalsContact CZ-CB 3.49Å; F341-V346 HydrophobicContact CZ-CG2 4.21Å; F341-A348 VanDerWaalsContact CD1-CA 3.49Å; F341-A348 HydrophobicContact CD1-CB 3.74Å; F341-A348 HydrophobicContact CE1-CB 4.47Å; F341-A348 HydrophobicContact CG-CB 4.46Å; F341-M351 HydrophobicContact CD2-CG 4.29Å; F341-M351 HydrophobicContact CE1-CB 3.83Å; F341-M351 HydrophobicContact CE1-CG 4.34Å; F341-M351 HydrophobicContact CE2-CB 4.01Å; F341-M351 HydrophobicContact CE2-CE 3.64Å; F341-M351 HydrophobicContact CE2-CG 3.57Å; F341-M351 HydrophobicContact CE2-SD 4.42Å; F341-M351 HydrophobicContact CZ-CB 3.49Å; F341-M351 VanDerWaalsContact CZ-CB 3.49Å; F341-M351 HydrophobicContact CZ-CE 3.56Å; F341-M351 HydrophobicContact CZ-CG 3.58Å; F341-M351 HydrophobicContact CZ-SD 4.42Å; F341-P367 HydrophobicContact CD2-CG 3.97Å; F341-P367 HydrophobicContact CE2-CG 4.32Å; F341-W585 HydrophobicContact CD2-CH2 4.29Å; F341-W585 HydrophobicContact CD2-CZ3 4.42Å; F341-W585 AromaticContact CE2-CH2 3.59Å; F341-W585 HydrophobicContact CE2-CH2 3.59Å; F341-W585 HydrophobicContact CE2-CZ2 4.06Å; F341-W585 AromaticContact CE2-CZ3 3.89Å; F341-W585 HydrophobicContact CE2-CZ3 3.89Å; F341-W585 HydrophobicContact CZ-CH2 4.19Å; F341-W585 HydrophobicContact CZ-CZ2 4.28Å
342S87.4Confident74.1Confident96 Ų9662.2 Ų62.267%0.67135%0.346SS*.  trans-141.2119.4174.4-170.80000110.8W585S342-W585 VanDerWaalsContact O-CH2 3.32Å; S342-W585 WeakPolarHBondContact O-CH2 3.47Å
343S92.4Very high75.7Confident23 Ų2363.1 Ų63.116%0.16135%0.35CS..  trans-130.4143.8171.2167.80000108.1F341 I345 V346 E583F341-S343 VanDerWaalsContact CZ-CB 3.49Å; S343-I345 VanDerWaalsContact C-N 3.35Å; S343-I345 PolarHBondContact OG-N 3.37Å; S343-V346 WeakPolarHBondContact CB-O 3.35Å; S343-V346 PolarHBondContact OG-N 3.29Å; S343-V346 VanDerWaalsContact OG-N 3.09Å; S343-E583 WeakPolarHBondContact CB-OE2 3.43Å; S343-E583 VanDerWaalsContact OG-CD 3.27Å; S343-E583 PolarHBondContact OG-OE1 2.78Å; S343-E583 PolarHBondContact OG-OE2 2.97Å
344E93Very high77.2Confident108 Ų10854.6 Ų54.651%0.50531%0.31SS..SBendtrans-82.2-18.6171.9-73.9-177.3-97.300111.1S374 R398 L581 E583E344-S374 VanDerWaalsContact OE1-CB 3.24Å; E344-S374 WeakPolarHBondContact OE1-CB 3.3Å; E344-S374 PolarHBondContact OE1-OG 2.96Å; E344-R398 PolarHBondContact O-NH1 2.84Å; E344-R398 PolarHBondContact O-NH2 3.08Å; E344-L581 HydrophobicContact CB-CD2 3.29Å; E344-L581 HydrophobicContact CG-CD2 4.34Å; E344-E583 PolarHBondContact N-OE1 3.24Å
345I93.9Very high78.5Confident5 Ų553.5 Ų53.53%0.02630%0.304CS..SBendtrans-92.6-46.9-177.7-59.6-178.1000113.2S343 L396 R398 V404 L581 E583S343-I345 VanDerWaalsContact C-N 3.35Å; S343-I345 PolarHBondContact OG-N 3.37Å; I345-L396 HydrophobicContact CB-CB 4.48Å; I345-L396 HydrophobicContact CD1-CB 3.9Å; I345-L396 WeakPolarHBondContact CD1-O 3.34Å; I345-L396 HydrophobicContact CG2-CB 4.24Å; I345-R398 VanDerWaalsContact C-NH2 3.26Å; I345-R398 VanDerWaalsContact CA-NH2 3.27Å; I345-R398 HydrophobicContact CG1-CB 4.32Å; I345-R398 HydrophobicContact CG2-CB 4.16Å; I345-R398 PolarHBondContact O-NH2 3.06Å; I345-V404 HydrophobicContact CG2-CG1 3.64Å; I345-V404 HydrophobicContact CG2-CG2 4.04Å; I345-L581 HydrophobicContact CD1-CB 4.26Å; I345-L581 HydrophobicContact CD1-CD2 4.22Å; I345-L581 HydrophobicContact CD1-CG 4.14Å; I345-L581 HydrophobicContact CG1-CB 4.17Å; I345-L581 HydrophobicContact CG1-CD2 3.56Å; I345-L581 HydrophobicContact CG1-CG 4Å; I345-E583 HydrophobicContact CD1-CB 3.94Å; I345-E583 HydrophobicContact CD1-CG 3.65Å; I345-E583 HydrophobicContact CG1-CG 3.98Å; I345-E583 PolarHBondContact N-OE1 3.39Å
346V88.9Confident79.1Confident7 Ų753.7 Ų53.74%0.04230%0.303CS..SBendtrans-127.4150-173.9-65.30000112.5F341 S343 E350 M351 I354 L396 V404F341-V346 HydrophobicContact CZ-CG2 4.21Å; S343-V346 WeakPolarHBondContact CB-O 3.35Å; S343-V346 PolarHBondContact OG-N 3.29Å; S343-V346 VanDerWaalsContact OG-N 3.09Å; V346-E350 HydrophobicContact CB-CB 3.9Å; V346-E350 HydrophobicContact CG1-CB 4.29Å; V346-M351 HydrophobicContact CG2-CB 4.03Å; V346-M351 HydrophobicContact CG2-CE 3.92Å; V346-I354 HydrophobicContact CG1-CD1 4.16Å; V346-L396 HydrophobicContact CG1-CD1 4.22Å; V346-L396 HydrophobicContact CG1-CD2 4.49Å; V346-L396 HydrophobicContact CG2-CD1 3.66Å; V346-V404 HydrophobicContact CG1-CG1 4.05Å
347S86.3Confident79.4Confident50 Ų5056.6 Ų56.635%0.3531%0.313SS..  trans-71.7162.3169.264.30000112K349 E350 M351S347-K349 PolarHBondContact O-N 3.32Å; S347-K349 VanDerWaalsContact O-N 3.16Å; S347-E350 WeakPolarHBondContact CB-OE2 3.34Å; S347-E350 PolarHBondContact N-OE2 2.95Å; S347-E350 PolarHBondContact O-N 3.27Å; S347-E350 VanDerWaalsContact O-N 3.11Å; S347-E350 WeakPolarHBondContact OG-CG 3.31Å; S347-E350 PolarHBondContact OG-N 3.17Å; S347-E350 PolarHBondContact OG-OE2 3.23Å; S347-M351 PolarHBondContact O-N 3.41Å
348A81Confident79.7Confident36 Ų3653.3 Ų53.330%0.29830%0.295SS..Hα-helixtrans-55.2-33.5173.900000112.7P338 F341 H352P338-A348 HydrophobicContact CB-CB 4.49Å; F341-A348 VanDerWaalsContact CD1-CA 3.49Å; F341-A348 HydrophobicContact CD1-CB 3.74Å; F341-A348 HydrophobicContact CE1-CB 4.47Å; F341-A348 HydrophobicContact CG-CB 4.46Å; A348-H352 VanDerWaalsContact O-CB 3.3Å; A348-H352 WeakPolarHBondContact O-CB 3.4Å; A348-H352 PolarHBondContact O-N 2.98Å
349K79.9Confident79.7Confident122 Ų12250.1 Ų50.153%0.5327%0.274SS..Hα-helixtrans-69.2-46.8176.3-177.7-177.5175.1-173.50111.9S347 M351 H352 D353 T440S347-K349 PolarHBondContact O-N 3.32Å; S347-K349 VanDerWaalsContact O-N 3.16Å; K349-M351 VanDerWaalsContact C-N 3.33Å; K349-H352 WeakPolarHBondContact O-CB 3.38Å; K349-H352 PolarHBondContact O-N 3.19Å; K349-D353 PolarHBondContact O-N 3.15Å; K349-T440 HydrophobicContact CD-CG2 3.84Å; K349-T440 VanDerWaalsContact CE-CG2 3.42Å
350E80.2Confident79.5Confident24 Ų2448.5 Ų48.511%0.11226%0.262CS..Hα-helixtrans-65.9-39.5177.8-72.8161.1139.600111.2V346 S347 H352 D353 I354 V436V346-E350 HydrophobicContact CB-CB 3.9Å; V346-E350 HydrophobicContact CG1-CB 4.29Å; S347-E350 WeakPolarHBondContact CB-OE2 3.34Å; S347-E350 PolarHBondContact N-OE2 2.95Å; S347-E350 PolarHBondContact O-N 3.27Å; S347-E350 VanDerWaalsContact O-N 3.11Å; S347-E350 WeakPolarHBondContact OG-CG 3.31Å; S347-E350 PolarHBondContact OG-N 3.17Å; S347-E350 PolarHBondContact OG-OE2 3.23Å; E350-H352 VanDerWaalsContact C-N 3.31Å; E350-H352 PolarHBondContact O-N 3.39Å; E350-D353 PolarHBondContact O-N 2.82Å; E350-I354 VanDerWaalsContact O-CG1 3.26Å; E350-I354 WeakPolarHBondContact O-CG1 3.36Å; E350-I354 PolarHBondContact O-N 3.1Å; E350-V436 HydrophobicContact CB-CG1 4.45Å; E350-V436 HydrophobicContact CG-CG1 4.1Å
351M85.3Confident79.3Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-60.3-43.2171.5-175.859.785.400110.8L336 F341 V346 S347 K349 D353 I354 W355 L394 L396 W585L336-M351 HydrophobicContact CD1-CG 4.45Å; L336-M351 HydrophobicContact CD2-CG 4.38Å; F341-M351 HydrophobicContact CD2-CG 4.29Å; F341-M351 HydrophobicContact CE1-CB 3.83Å; F341-M351 HydrophobicContact CE1-CG 4.34Å; F341-M351 HydrophobicContact CE2-CB 4.01Å; F341-M351 HydrophobicContact CE2-CE 3.64Å; F341-M351 HydrophobicContact CE2-CG 3.57Å; F341-M351 HydrophobicContact CE2-SD 4.42Å; F341-M351 HydrophobicContact CZ-CB 3.49Å; F341-M351 VanDerWaalsContact CZ-CB 3.49Å; F341-M351 HydrophobicContact CZ-CE 3.56Å; F341-M351 HydrophobicContact CZ-CG 3.58Å; F341-M351 HydrophobicContact CZ-SD 4.42Å; V346-M351 HydrophobicContact CG2-CB 4.03Å; V346-M351 HydrophobicContact CG2-CE 3.92Å; S347-M351 PolarHBondContact O-N 3.41Å; K349-M351 VanDerWaalsContact C-N 3.33Å; M351-D353 VanDerWaalsContact C-N 3.32Å; M351-D353 PolarHBondContact O-N 2.96Å; M351-I354 PolarHBondContact O-N 2.96Å; M351-W355 HydrophobicContact CG-CE3 4.24Å; M351-W355 VanDerWaalsContact O-CB 3.31Å; M351-W355 WeakPolarHBondContact O-CB 3.42Å; M351-W355 PolarHBondContact O-N 3.24Å; M351-W355 HydrophobicContact SD-CE3 3.55Å; M351-W355 VanDerWaalsContact SD-CE3 3.55Å; M351-W355 HydrophobicContact SD-CZ3 3.85Å; M351-L394 HydrophobicContact CE-CD2 4.25Å; M351-L394 HydrophobicContact SD-CD2 3.88Å; M351-L396 HydrophobicContact CE-CD1 3.66Å; M351-W585 HydrophobicContact CE-CD2 3.96Å; M351-W585 HydrophobicContact CE-CG 4.19Å; M351-W585 HydrophobicContact CE-CZ2 4.26Å
352H77.6Confident78.9Confident82 Ų8250.2 Ų50.238%0.3826%0.257SS..Hα-helixtrans-59.4-42.1174.9178-71.9000112.2L334 L336 A348 K349 E350 W355 S356L334-H352 HydrophobicContact CD1-CB 4.31Å; L334-H352 WeakPolarHBondContact CD1-CD2 3.39Å; L334-H352 WeakPolarHBondContact CD1-NE2 3.28Å; L334-H352 WeakPolarHBondContact CD1-O 3.16Å; L336-H352 HydrophobicContact CD1-CB 3.87Å; A348-H352 VanDerWaalsContact O-CB 3.3Å; A348-H352 WeakPolarHBondContact O-CB 3.4Å; A348-H352 PolarHBondContact O-N 2.98Å; K349-H352 WeakPolarHBondContact O-CB 3.38Å; K349-H352 PolarHBondContact O-N 3.19Å; E350-H352 VanDerWaalsContact C-N 3.31Å; E350-H352 PolarHBondContact O-N 3.39Å; H352-W355 PolarHBondContact O-N 2.8Å; H352-S356 WeakPolarHBondContact O-CB 3.39Å; H352-S356 PolarHBondContact O-N 2.79Å
353D72.6Confident77.6Confident60 Ų6046 Ų4632%0.32123%0.228SC..Hα-helixtrans-64.1-42.7176.2-67.3-25000111.4K349 E350 M351 S356 W357K349-D353 PolarHBondContact O-N 3.15Å; E350-D353 PolarHBondContact O-N 2.82Å; M351-D353 VanDerWaalsContact C-N 3.32Å; M351-D353 PolarHBondContact O-N 2.96Å; D353-S356 WeakPolarHBondContact O-CB 3.19Å; D353-S356 PolarHBondContact O-N 3.39Å; D353-S356 PolarHBondContact O-OG 2.96Å; D353-W357 PolarHBondContact O-NE1 3.49Å
354I78Confident76.6Confident2 Ų250.3 Ų50.31%0.0125%0.249CC..Hα-helixtrans-67.6-42.2176.5-63.9162.1000111.5V346 E350 M351 S356 W357 L394 L396 F434 V436V346-I354 HydrophobicContact CG1-CD1 4.16Å; E350-I354 VanDerWaalsContact O-CG1 3.26Å; E350-I354 WeakPolarHBondContact O-CG1 3.36Å; E350-I354 PolarHBondContact O-N 3.1Å; M351-I354 PolarHBondContact O-N 2.96Å; I354-S356 PolarHBondContact O-N 2.87Å; I354-W357 HydrophobicContact CB-CE3 4.3Å; I354-W357 HydrophobicContact CB-CZ3 4.34Å; I354-W357 HydrophobicContact CG1-CE3 4.23Å; I354-W357 HydrophobicContact CG1-CH2 4.25Å; I354-W357 HydrophobicContact CG1-CZ3 3.77Å; I354-W357 HydrophobicContact CG2-CE3 4.29Å; I354-W357 WeakPolarHBondContact O-CA 3.49Å; I354-W357 VanDerWaalsContact O-CB 3.26Å; I354-W357 WeakPolarHBondContact O-CB 3.26Å; I354-W357 PolarHBondContact O-N 3.35Å; I354-L394 HydrophobicContact CG2-CD1 3.84Å; I354-L394 HydrophobicContact CG2-CD2 3.87Å; I354-L394 HydrophobicContact CG2-CG 4.5Å; I354-L396 HydrophobicContact CD1-CD2 3.91Å; I354-F434 HydrophobicContact CD1-CE2 3.89Å; I354-F434 HydrophobicContact CD1-CZ 4.4Å; I354-F434 HydrophobicContact CG1-CE2 4.14Å; I354-F434 HydrophobicContact CG2-CE1 4.14Å; I354-F434 HydrophobicContact CG2-CE2 4.19Å; I354-F434 HydrophobicContact CG2-CZ 3.81Å; I354-V436 HydrophobicContact CD1-CG2 3.76Å; I354-V436 HydrophobicContact CG1-CG2 4.34Å
355W79.6Confident76Confident1 Ų145.6 Ų45.60%0.00423%0.227CC..Hα-helixtrans-65.9-31.2178-140-89.8000111.3L334 L336 M351 H352 W357 I358 C365 P367 L394 F587L334-W355 HydrophobicContact CD1-CB 4.23Å; L334-W355 HydrophobicContact CD2-CB 3.64Å; L334-W355 HydrophobicContact CD2-CG 3.61Å; L336-W355 HydrophobicContact CD1-CB 4.06Å; L336-W355 HydrophobicContact CD1-CG 4.35Å; M351-W355 HydrophobicContact CG-CE3 4.24Å; M351-W355 VanDerWaalsContact O-CB 3.31Å; M351-W355 WeakPolarHBondContact O-CB 3.42Å; M351-W355 PolarHBondContact O-N 3.24Å; M351-W355 HydrophobicContact SD-CE3 3.55Å; M351-W355 VanDerWaalsContact SD-CE3 3.55Å; M351-W355 HydrophobicContact SD-CZ3 3.85Å; H352-W355 PolarHBondContact O-N 2.8Å; W355-W357 PolarHBondContact O-N 2.85Å; W355-W357 VanDerWaalsContact O-N 3.09Å; W355-I358 HydrophobicContact CB-CD1 4.35Å; W355-I358 HydrophobicContact CD2-CD1 3.62Å; W355-I358 HydrophobicContact CE3-CD1 3.72Å; W355-I358 HydrophobicContact CG-CD1 3.88Å; W355-I358 HydrophobicContact CZ3-CD1 4.19Å; W355-I358 WeakPolarHBondContact O-CB 3.02Å; W355-I358 PolarHBondContact O-N 2.83Å; W355-I358 VanDerWaalsContact O-N 3.1Å; W355-C365 PolarHBondContact NE1-O 3.13Å; W355-P367 HydrophobicContact CE3-CB 4.41Å; W355-P367 VanDerWaalsContact CH2-CA 3.48Å; W355-P367 HydrophobicContact CH2-CB 3.44Å; W355-P367 VanDerWaalsContact CH2-CB 3.44Å; W355-P367 HydrophobicContact CZ2-CB 3.97Å; W355-P367 HydrophobicContact CZ3-CB 3.69Å; W355-L394 HydrophobicContact CE3-CD2 4.11Å; W355-L394 HydrophobicContact CZ3-CD2 3.8Å; W355-F587 HydrophobicContact CD2-CE1 4.44Å; W355-F587 AromaticContact CE2-CE1 3.71Å; W355-F587 AromaticContact CH2-CD1 3.9Å; W355-F587 HydrophobicContact CH2-CD1 3.9Å; W355-F587 AromaticContact CH2-CE1 3.5Å; W355-F587 HydrophobicContact CH2-CE1 3.5Å; W355-F587 VanDerWaalsContact CH2-CE1 3.5Å; W355-F587 HydrophobicContact CH2-CE2 4.45Å; W355-F587 HydrophobicContact CH2-CG 4.5Å; W355-F587 AromaticContact CH2-CZ 3.8Å; W355-F587 HydrophobicContact CH2-CZ 3.8Å; W355-F587 AromaticContact CZ2-CD1 3.38Å; W355-F587 HydrophobicContact CZ2-CD1 3.38Å; W355-F587 AromaticContact CZ2-CE1 3.23Å; W355-F587 HydrophobicContact CZ2-CE1 3.23Å; W355-F587 HydrophobicContact CZ2-CG 4.25Å; W355-F587 HydrophobicContact CZ2-CZ 4.04Å; W355-F587 HydrophobicContact CZ3-CE1 4.23Å; W355-F587 HydrophobicContact CZ3-CZ 4.31Å
356S67.4Low75.5Confident41 Ų4148.8 Ų48.829%0.28724%0.242SC..THydrogen-bonded Turntrans-62.8-9.216892.60000112.3R329 H352 D353 I354R329-S356 WeakPolarHBondContact CD-O 3.34Å; R329-S356 PolarHBondContact NE-O 2.75Å; R329-S356 PolarHBondContact NH1-O 2.83Å; H352-S356 WeakPolarHBondContact O-CB 3.39Å; H352-S356 PolarHBondContact O-N 2.79Å; D353-S356 WeakPolarHBondContact O-CB 3.19Å; D353-S356 PolarHBondContact O-N 3.39Å; D353-S356 PolarHBondContact O-OG 2.96Å; I354-S356 PolarHBondContact O-N 2.87Å
357W68.8Low75.5Confident84 Ų8449.7 Ų49.732%0.31825%0.248SC..THydrogen-bonded Turntrans-93.4-5174.1-54.3-23.2000114.7R329 D353 I354 W355 F432 F434R329-W357 VanDerWaalsContact CZ-C 3.46Å; R329-W357 PolarHBondContact NH2-O 2.94Å; D353-W357 PolarHBondContact O-NE1 3.49Å; I354-W357 HydrophobicContact CB-CE3 4.3Å; I354-W357 HydrophobicContact CB-CZ3 4.34Å; I354-W357 HydrophobicContact CG1-CE3 4.23Å; I354-W357 HydrophobicContact CG1-CH2 4.25Å; I354-W357 HydrophobicContact CG1-CZ3 3.77Å; I354-W357 HydrophobicContact CG2-CE3 4.29Å; I354-W357 WeakPolarHBondContact O-CA 3.49Å; I354-W357 VanDerWaalsContact O-CB 3.26Å; I354-W357 WeakPolarHBondContact O-CB 3.26Å; I354-W357 PolarHBondContact O-N 3.35Å; W355-W357 PolarHBondContact O-N 2.85Å; W355-W357 VanDerWaalsContact O-N 3.09Å; W357-F432 HydrophobicContact CB-CE2 3.93Å; W357-F432 HydrophobicContact CB-CZ 3.69Å; W357-F432 HydrophobicContact CE3-CE2 4.33Å; W357-F432 WeakPolarHBondContact O-CE1 3.38Å; W357-F432 WeakPolarHBondContact O-CZ 3.08Å; W357-F434 HydrophobicContact CE3-CB 4.09Å; W357-F434 HydrophobicContact CE3-CD1 4.44Å; W357-F434 HydrophobicContact CE3-CG 4.13Å; W357-F434 HydrophobicContact CZ3-CB 3.65Å; W357-F434 HydrophobicContact CZ3-CD1 4.46Å; W357-F434 AromaticContact CZ3-CD2 3.84Å; W357-F434 HydrophobicContact CZ3-CD2 3.84Å; W357-F434 AromaticContact CZ3-CG 3.73Å; W357-F434 HydrophobicContact CZ3-CG 3.73Å
358I72.2Confident75.7Confident1 Ų150.6 Ų50.61%0.00525%0.247CC..SBendtrans-84.6149.7-172.1-59.7-177.5000110R329 W355 E360 F362 F408 F587R329-I358 PolarHBondContact NE-O 3.3Å; W355-I358 HydrophobicContact CB-CD1 4.35Å; W355-I358 HydrophobicContact CD2-CD1 3.62Å; W355-I358 HydrophobicContact CE3-CD1 3.72Å; W355-I358 HydrophobicContact CG-CD1 3.88Å; W355-I358 HydrophobicContact CZ3-CD1 4.19Å; W355-I358 WeakPolarHBondContact O-CB 3.02Å; W355-I358 PolarHBondContact O-N 2.83Å; W355-I358 VanDerWaalsContact O-N 3.1Å; I358-E360 PolarHBondContact O-N 2.96Å; I358-F362 HydrophobicContact CG2-CB 3.76Å; I358-F362 HydrophobicContact CG2-CD2 4.15Å; I358-F362 HydrophobicContact CG2-CG 4.45Å; I358-F408 HydrophobicContact CD1-CD2 4.32Å; I358-F408 HydrophobicContact CD1-CE2 4.49Å; I358-F408 HydrophobicContact CG1-CD2 4.14Å; I358-F408 HydrophobicContact CG1-CE2 4.36Å; I358-F408 HydrophobicContact CG2-CD2 4.31Å; I358-F408 HydrophobicContact CG2-CE2 3.69Å; I358-F408 HydrophobicContact CG2-CZ 4.12Å; I358-F587 HydrophobicContact CD1-CE1 3.46Å; I358-F587 VanDerWaalsContact CD1-CE1 3.46Å; I358-F587 HydrophobicContact CD1-CZ 3.58Å; I358-F587 HydrophobicContact CG2-CE1 3.78Å; I358-F587 HydrophobicContact CG2-CZ 4.28Å
359P67.4Low76.3Confident24 Ų2452.4 Ų52.416%0.15625%0.251CS..  trans-52.1136.8173.8-27.734.9000112.3R361 F362 F408 E430P359-R361 HydrophobicContact CB-CG 4.44Å; P359-R361 PolarHBondContact O-N 3.24Å; P359-F362 HydrophobicContact CB-CD2 3.97Å; P359-F362 HydrophobicContact CB-CE2 4.31Å; P359-F362 HydrophobicContact CG-CD2 4.22Å; P359-F362 HydrophobicContact CG-CE2 4.39Å; P359-F362 PolarHBondContact O-N 2.93Å; P359-F408 HydrophobicContact CG-CE1 4.07Å; P359-F408 HydrophobicContact CG-CZ 4.2Å; P359-E430 HydrophobicContact CG-CB 4.5Å
360E62.2Low77.1Confident119 Ų11947.1 Ų47.156%0.55623%0.229SC*.G310 helixtrans-55.2-30.1-170.4-170.5173.4-172.500113.3V332 I358 F362 A363V332-E360 HydrophobicContact CG2-CG 4.13Å; I358-E360 PolarHBondContact O-N 2.96Å; E360-F362 PolarHBondContact O-N 3.22Å; E360-A363 WeakPolarHBondContact O-CB 3.41Å; E360-A363 PolarHBondContact O-N 3.2Å; E360-A363 VanDerWaalsContact O-N 3.09Å
361R68.4Low78Confident137 Ų13746 Ų4652%0.51722%0.223SC..G310 helixtrans-62.5-20.817771.6-179.8-176.1-80.52.1114.4P359 E430P359-R361 HydrophobicContact CB-CG 4.44Å; P359-R361 PolarHBondContact O-N 3.24Å; R361-E430 IonicContact CZ-OE1 3Å; R361-E430 IonicContact CZ-OE2 3.3Å; R361-E430 IonicContact NH1-OE1 2.79Å; R361-E430 PolarHBondContact NH1-OE1 3.4Å; R361-E430 IonicContact NH1-OE2 3.82Å; R361-E430 PolarHBondContact NH1-OE2 2.79Å; R361-E430 IonicContact NH2-OE1 3.96Å; R361-E430 PolarHBondContact NH2-OE1 3.33Å; R361-E430 IonicContact NH2-OE2 2.77Å; R361-E430 PolarHBondContact NH2-OE2 3.35Å
362F74.1Confident78.6Confident32 Ų3246.1 Ų46.114%0.1422%0.224CC..G310 helixtrans-106.5-3176.5-51.2-62.7000112.8I358 P359 E360 L364 C365 P392 F408 F587I358-F362 HydrophobicContact CG2-CB 3.76Å; I358-F362 HydrophobicContact CG2-CD2 4.15Å; I358-F362 HydrophobicContact CG2-CG 4.45Å; P359-F362 HydrophobicContact CB-CD2 3.97Å; P359-F362 HydrophobicContact CB-CE2 4.31Å; P359-F362 HydrophobicContact CG-CD2 4.22Å; P359-F362 HydrophobicContact CG-CE2 4.39Å; P359-F362 PolarHBondContact O-N 2.93Å; E360-F362 PolarHBondContact O-N 3.22Å; F362-L364 PolarHBondContact O-N 3.23Å; F362-L364 VanDerWaalsContact O-N 3.16Å; F362-C365 WeakPolarHBondContact O-CB 3.25Å; F362-C365 PolarHBondContact O-N 3.07Å; F362-P392 HydrophobicContact CD1-CG 4.09Å; F362-P392 HydrophobicContact CD2-CG 3.8Å; F362-P392 VanDerWaalsContact CE1-CD 3.45Å; F362-P392 HydrophobicContact CE1-CG 3.96Å; F362-P392 HydrophobicContact CE2-CB 4.48Å; F362-P392 HydrophobicContact CE2-CG 3.63Å; F362-P392 HydrophobicContact CG-CG 4Å; F362-P392 HydrophobicContact CZ-CG 3.7Å; F362-F408 HydrophobicContact CD2-CZ 4.14Å; F362-F408 HydrophobicContact CE2-CZ 4.16Å; F362-F587 HydrophobicContact CB-CD1 3.86Å; F362-F587 HydrophobicContact CB-CE1 4.25Å
363A61.3Low79.5Confident9 Ų942.8 Ų42.87%0.07421%0.21CC..THydrogen-bonded Turntrans-68.3-14.8-176.200000113.4V332 E360V332-A363 HydrophobicContact CB-CB 4.23Å; V332-A363 HydrophobicContact CG1-CB 3.99Å; V332-A363 HydrophobicContact CG2-CB 4.38Å; E360-A363 WeakPolarHBondContact O-CB 3.41Å; E360-A363 PolarHBondContact O-N 3.2Å; E360-A363 VanDerWaalsContact O-N 3.09Å
364L71.1Confident80.5Confident113 Ų11342.7 Ų42.759%0.59221%0.214SC*.THydrogen-bonded Turntrans-91.8-10.4174.6-61.9177.9000113.3V332 F362V332-L364 HydrophobicContact CG1-CD2 3.68Å; V332-L364 HydrophobicContact CG1-CG 4.45Å; F362-L364 PolarHBondContact O-N 3.23Å; F362-L364 VanDerWaalsContact O-N 3.16Å
365C79Confident81.4Confident8 Ų847.2 Ų47.25%0.05424%0.241CC..SBendtrans-76.9147.2177.9-55.10000110.4W355 F362 F587 Q588W355-C365 PolarHBondContact NE1-O 3.13Å; F362-C365 WeakPolarHBondContact O-CB 3.25Å; F362-C365 PolarHBondContact O-N 3.07Å; C365-F587 HydrophobicContact CB-CB 3.74Å; C365-F587 HydrophobicContact CB-CD1 4.13Å; C365-F587 HydrophobicContact CB-CG 4.45Å; C365-Q588 CarbonylContact C-O 3.54Å; C365-Q588 VanDerWaalsContact CA-O 3.25Å; C365-Q588 WeakPolarHBondContact CA-O 3.38Å; C365-Q588 WeakPolarHBondContact CB-O 3.44Å
366Q83.6Confident82.2Confident73 Ų7349.5 Ų49.534%0.34125%0.252SS..EExtended strand (participates in β ladder)trans-86.6144.4173.1-64.8-163.5-38.200110.7A335 E368 Q588A335-Q366 HydrophobicContact CB-CG 4.24Å; A335-Q366 PolarHBondContact O-NE2 3.48Å; A335-Q366 VanDerWaalsContact O-NE2 3.14Å; Q366-E368 PolarHBondContact O-N 3.48Å; Q366-Q588 PolarHBondContact N-O 3.36Å; Q366-Q588 PolarHBondContact O-N 3.3Å
367P88.5Confident83.4Confident26 Ų2648.9 Ų48.917%0.16925%0.252CS..EExtended strand (participates in β ladder)trans-69.1127.7175.631.1-37.8000110.7L336 F341 W355 W585L336-P367 HydrophobicContact CD2-CB 4.41Å; L336-P367 HydrophobicContact CD2-CG 3.32Å; F341-P367 HydrophobicContact CD2-CG 3.97Å; F341-P367 HydrophobicContact CE2-CG 4.32Å; W355-P367 HydrophobicContact CE3-CB 4.41Å; W355-P367 VanDerWaalsContact CH2-CA 3.48Å; W355-P367 HydrophobicContact CH2-CB 3.44Å; W355-P367 VanDerWaalsContact CH2-CB 3.44Å; W355-P367 HydrophobicContact CZ2-CB 3.97Å; W355-P367 HydrophobicContact CZ3-CB 3.69Å; P367-W585 HydrophobicContact CB-CE3 3.69Å; P367-W585 HydrophobicContact CB-CZ3 3.98Å
368E91.3Very high84.6Confident69 Ų6947.6 Ų47.632%0.32226%0.255SS..EExtended strand (participates in β ladder)trans-112.8122.1173.4-176.4-178-167.500109.3Q366 L370 H390 W585 G586 Q588Q366-E368 PolarHBondContact O-N 3.48Å; E368-L370 HydrophobicContact CB-CD2 4.4Å; E368-L370 HydrophobicContact CG-CD2 3.94Å; E368-L370 PolarHBondContact O-N 3.38Å; E368-L370 VanDerWaalsContact O-N 3.16Å; E368-H390 IonicContact OE2-CE1 3.07Å; E368-H390 IonicContact OE2-ND1 2.75Å; E368-W585 VanDerWaalsContact C-CE3 3.48Å; E368-W585 CarbonylContact O-C 3.58Å; E368-W585 VanDerWaalsContact O-CA 3.24Å; E368-W585 WeakPolarHBondContact O-CA 3.22Å; E368-G586 PolarHBondContact N-O 2.9Å; E368-G586 PolarHBondContact O-N 2.87Å; E368-Q588 HydrophobicContact CB-CB 4.4Å
369L94.4Very high85.6Confident73 Ų7349.9 Ų49.938%0.38227%0.271SS..EExtended strand (participates in β ladder)trans-75.3106.4176.3-179.363.8000109.5F371 T372 E583 W585L369-F371 WeakPolarHBondContact CD1-O 2.77Å; L369-T372 HydrophobicContact CD2-CG2 4.24Å; L369-E583 HydrophobicContact CD1-CB 3.99Å; L369-E583 HydrophobicContact CD1-CG 4.13Å; L369-W585 HydrophobicContact CB-CD2 4.35Å; L369-W585 HydrophobicContact CB-CE3 3.95Å; L369-W585 HydrophobicContact CB-CH2 3.79Å; L369-W585 HydrophobicContact CB-CZ2 4.17Å; L369-W585 HydrophobicContact CB-CZ3 3.68Å; L369-W585 HydrophobicContact CD1-CD2 4.04Å; L369-W585 HydrophobicContact CD1-CH2 4.25Å; L369-W585 HydrophobicContact CD1-CZ2 3.72Å; L369-W585 HydrophobicContact CG-CH2 4.43Å; L369-W585 HydrophobicContact CG-CZ2 4.36Å
370L96.8Very high86.8Confident12 Ų1248.8 Ų48.86%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-84.7-41.8-179.7-54.6179.2000111.3E368 H386 H390 T393 A584E368-L370 HydrophobicContact CB-CD2 4.4Å; E368-L370 HydrophobicContact CG-CD2 3.94Å; E368-L370 PolarHBondContact O-N 3.38Å; E368-L370 VanDerWaalsContact O-N 3.16Å; L370-H386 WeakPolarHBondContact O-CB 3.35Å; L370-H386 PolarHBondContact O-CD2 2.81Å; L370-H390 HydrophobicContact CD1-CB 3.56Å; L370-H390 WeakPolarHBondContact CD2-CE1 3.24Å; L370-H390 WeakPolarHBondContact CD2-ND1 3.45Å; L370-T393 HydrophobicContact CD1-CG2 4.09Å; L370-A584 WeakPolarHBondContact CB-O 3.47Å; L370-A584 PolarHBondContact N-O 2.87Å
371F97.9Very high88.4Confident0 Ų047.2 Ų47.20%027%0.266CS..EExtended strand (participates in β ladder)trans-146.5140.1-174.2179.8-90000112.3L369 T373 H376 G377 R382 F383 H386 L556 L582 E583 A584L369-F371 WeakPolarHBondContact CD1-O 2.77Å; F371-T373 HydrophobicContact CE1-CG2 3.78Å; F371-T373 HydrophobicContact CZ-CG2 4.21Å; F371-H376 WeakPolarHBondContact CA-ND1 3.46Å; F371-H376 HydrophobicContact CD2-CB 3.74Å; F371-H376 AromaticContact CD2-CG 3.98Å; F371-H376 AromaticContact CD2-ND1 3.53Å; F371-H376 HydrophobicContact CE2-CB 3.43Å; F371-H376 VanDerWaalsContact CE2-CB 3.43Å; F371-H376 AromaticContact CG-ND1 3.95Å; F371-H376 HydrophobicContact CZ-CB 4.15Å; F371-G377 WeakPolarHBondContact CZ-O 3.37Å; F371-R382 HydrophobicContact CE2-CB 4.33Å; F371-R382 HydrophobicContact CE2-CG 4.22Å; F371-F383 HydrophobicContact CB-CD2 4.47Å; F371-F383 HydrophobicContact CD1-CB 4.45Å; F371-F383 AromaticContact CD1-CD2 3.71Å; F371-F383 HydrophobicContact CD1-CD2 3.71Å; F371-F383 HydrophobicContact CD2-CB 4.3Å; F371-F383 HydrophobicContact CE1-CB 4.26Å; F371-F383 HydrophobicContact CE1-CD2 4.05Å; F371-F383 HydrophobicContact CE2-CB 4.09Å; F371-F383 HydrophobicContact CG-CB 4.47Å; F371-F383 HydrophobicContact CG-CD2 4.06Å; F371-F383 HydrophobicContact CZ-CB 4.07Å; F371-H386 HydrophobicContact CB-CB 4.21Å; F371-H386 HydrophobicContact CD2-CB 4.39Å; F371-L556 HydrophobicContact CE1-CD1 3.74Å; F371-L556 HydrophobicContact CZ-CD1 3.7Å; F371-L582 HydrophobicContact CD1-CD2 3.82Å; F371-L582 HydrophobicContact CE1-CD2 3.85Å; F371-E583 CarbonylContact O-C 3.52Å; F371-E583 VanDerWaalsContact O-CA 3.22Å; F371-E583 WeakPolarHBondContact O-CA 3.16Å; F371-A584 HydrophobicContact CB-CB 3.94Å; F371-A584 PolarHBondContact N-O 2.92Å; F371-A584 VanDerWaalsContact N-O 3.14Å; F371-A584 PolarHBondContact O-N 2.93Å
372T97.4Very high89.6Confident2 Ų246.9 Ų46.91%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-141141.5163.5176.50000111.2L369 S374 T375 H376 L582L369-T372 HydrophobicContact CD2-CG2 4.24Å; T372-S374 WeakPolarHBondContact CG2-OG 3.45Å; T372-S374 PolarHBondContact O-N 3Å; T372-S374 PolarHBondContact OG1-N 3.22Å; T372-S374 PolarHBondContact OG1-OG 3.45Å; T372-T375 HydrophobicContact CG2-CG2 3.76Å; T372-T375 WeakPolarHBondContact CG2-OG1 3.27Å; T372-T375 PolarHBondContact O-N 3.24Å; T372-H376 PolarHBondContact N-ND1 2.83Å; T372-H376 VanDerWaalsContact O-CB 3.27Å; T372-H376 WeakPolarHBondContact O-CB 3.46Å; T372-H376 PolarHBondContact O-N 3.37Å; T372-L582 CarbonylContact C-O 3.52Å; T372-L582 VanDerWaalsContact CA-O 3.25Å; T372-L582 WeakPolarHBondContact CA-O 3.44Å
373T96.9Very high90.7Very high13 Ų1345.4 Ų45.48%0.0826%0.258CS..Hα-helixtrans-67-20.3177.751.60000113.1F371 G377 L556 L581 L582F371-T373 HydrophobicContact CE1-CG2 3.78Å; F371-T373 HydrophobicContact CZ-CG2 4.21Å; T373-G377 WeakPolarHBondContact O-CA 3.45Å; T373-G377 PolarHBondContact O-N 3.44Å; T373-G377 VanDerWaalsContact O-N 3.07Å; T373-L556 HydrophobicContact CG2-CB 4.17Å; T373-L556 HydrophobicContact CG2-CD1 4.04Å; T373-L581 WeakPolarHBondContact OG1-CD1 3.18Å; T373-L582 HydrophobicContact CG2-CB 3.95Å; T373-L582 PolarHBondContact N-O 2.82Å; T373-L582 PolarHBondContact OG1-N 3.03Å
374S94.9Very high92.4Very high58 Ų5845.2 Ų45.241%0.40626%0.256SS..Hα-helixtrans-67.5-40.8176.557.20000112.9E344 T372E344-S374 VanDerWaalsContact OE1-CB 3.24Å; E344-S374 WeakPolarHBondContact OE1-CB 3.3Å; E344-S374 PolarHBondContact OE1-OG 2.96Å; T372-S374 WeakPolarHBondContact CG2-OG 3.45Å; T372-S374 PolarHBondContact O-N 3Å; T372-S374 PolarHBondContact OG1-N 3.22Å; T372-S374 PolarHBondContact OG1-OG 3.45Å
375T95.2Very high93.6Very high96 Ų9643.5 Ų43.559%0.58925%0.253SS*.Hα-helixtrans-97.3-38.9-177.864.10000112.3T372T372-T375 HydrophobicContact CG2-CG2 3.76Å; T372-T375 WeakPolarHBondContact CG2-OG1 3.27Å; T372-T375 PolarHBondContact O-N 3.24Å
376H96.2Very high94.4Very high50 Ų5046.1 Ų46.123%0.23126%0.264CS..Hα-helixtrans-96-12.5-172.5-56.3143000112.4F371 T372 R382 H386F371-H376 WeakPolarHBondContact CA-ND1 3.46Å; F371-H376 HydrophobicContact CD2-CB 3.74Å; F371-H376 AromaticContact CD2-CG 3.98Å; F371-H376 AromaticContact CD2-ND1 3.53Å; F371-H376 HydrophobicContact CE2-CB 3.43Å; F371-H376 VanDerWaalsContact CE2-CB 3.43Å; F371-H376 AromaticContact CG-ND1 3.95Å; F371-H376 HydrophobicContact CZ-CB 4.15Å; T372-H376 PolarHBondContact N-ND1 2.83Å; T372-H376 VanDerWaalsContact O-CB 3.27Å; T372-H376 WeakPolarHBondContact O-CB 3.46Å; T372-H376 PolarHBondContact O-N 3.37Å; H376-R382 HydrophobicContact CB-CG 4.42Å; H376-R382 WeakPolarHBondContact O-CD 3.33Å; H376-R382 PolarHBondContact O-NH1 2.89Å; H376-H386 AromaticContact CE1-CD2 3.93Å; H376-H386 AromaticContact NE2-NE2 3.97Å
377G94.1Very high95Very high27 Ų2742.6 Ų42.628%0.27825%0.248SC..  trans76.3172.4-177.300000113.1F371 T373 S379F371-G377 WeakPolarHBondContact CZ-O 3.37Å; T373-G377 WeakPolarHBondContact O-CA 3.45Å; T373-G377 PolarHBondContact O-N 3.44Å; T373-G377 VanDerWaalsContact O-N 3.07Å; G377-S379 PolarHBondContact O-N 3.36Å
378C93Very high95.3Very high58 Ų5843.7 Ų43.739%0.39225%0.251SS..SBendtrans-9280.3-172.1-370000111.1E555 L556 N557C378-E555 WeakPolarHBondContact CB-O 3.15Å; C378-L556 HydrophobicContact CB-CB 4.22Å; C378-N557 PolarHBondContact SG-OD1 3.45Å; C378-N557 VanDerWaalsContact SG-OD1 3.41Å
379S93.3Very high95.3Very high48 Ų4843.2 Ų43.234%0.33627%0.265SS..  trans-140.3118.2177.3177.10000111.3G377 S381 R382 F383G377-S379 PolarHBondContact O-N 3.36Å; S379-S381 VanDerWaalsContact C-N 3.27Å; S379-S381 PolarHBondContact O-N 2.88Å; S379-R382 PolarHBondContact O-N 3.5Å; S379-F383 PolarHBondContact O-N 2.96Å
380L93.9Very high95.2Very high2 Ų242.5 Ų42.51%0.0126%0.259CS..Hα-helixtrans-61.5-33.4177.9-177.956.7000113.1R382 F383 Y384 S535 I539 A554 L556L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.06Å; L380-F383 HydrophobicContact CD1-CB 4.37Å; L380-F383 HydrophobicContact CD1-CD1 3.99Å; L380-F383 HydrophobicContact CD1-CG 4.4Å; L380-F383 WeakPolarHBondContact O-CB 3.29Å; L380-F383 PolarHBondContact O-N 3.08Å; L380-Y384 HydrophobicContact CD1-CD2 4.34Å; L380-Y384 HydrophobicContact CD1-CE1 4.13Å; L380-Y384 HydrophobicContact CD1-CE2 3.77Å; L380-Y384 HydrophobicContact CD2-CE2 4.04Å; L380-Y384 HydrophobicContact CG-CD2 4.16Å; L380-Y384 HydrophobicContact CG-CE2 3.52Å; L380-Y384 VanDerWaalsContact O-CD2 3.23Å; L380-Y384 WeakPolarHBondContact O-CD2 3.44Å; L380-Y384 PolarHBondContact O-N 2.98Å; L380-S535 WeakPolarHBondContact CD2-O 3.37Å; L380-I539 HydrophobicContact CD1-CD1 3.44Å; L380-I539 VanDerWaalsContact CD1-CD1 3.44Å; L380-I539 HydrophobicContact CD1-CG1 3.5Å; L380-I539 HydrophobicContact CD2-CG1 4.48Å; L380-A554 WeakPolarHBondContact CB-O 3.35Å; L380-A554 PolarHBondContact N-O 2.96Å; L380-L556 HydrophobicContact CB-CD2 4.34Å; L380-L556 HydrophobicContact CD1-CD2 4.11Å
381S93.9Very high94.9Very high85 Ų8547.2 Ų47.259%0.59428%0.281SS*.Hα-helixtrans-62.6-38173.2-175.40000112.1S379 S385S379-S381 VanDerWaalsContact C-N 3.27Å; S379-S381 PolarHBondContact O-N 2.88Å; S381-S385 PolarHBondContact O-N 3.15Å
382R95.3Very high94.6Very high131 Ų13147.2 Ų47.249%0.49428%0.281SS..Hα-helixtrans-73.9-38.4178.3-169.9174-96.8160.2-7.3110.8F371 H376 S379 L380 Y384 S385 H386F371-R382 HydrophobicContact CE2-CB 4.33Å; F371-R382 HydrophobicContact CE2-CG 4.22Å; H376-R382 HydrophobicContact CB-CG 4.42Å; H376-R382 WeakPolarHBondContact O-CD 3.33Å; H376-R382 PolarHBondContact O-NH1 2.89Å; S379-R382 PolarHBondContact O-N 3.5Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.06Å; R382-Y384 PolarHBondContact O-N 3.19Å; R382-S385 WeakPolarHBondContact CA-OG 3.31Å; R382-S385 PolarHBondContact O-N 3.02Å; R382-S385 PolarHBondContact O-OG 2.87Å; R382-H386 PolarHBondContact O-N 3.14Å; R382-H386 PolarHBondContact O-ND1 3.47Å
383F97.4Very high94.5Very high1 Ų147.2 Ų47.20%0.00428%0.281CS..Hα-helixtrans-52.1-53.2170.3171.5-86.5000111.2F371 S379 L380 S385 H386 C387 L395 W413 I539 L556 L582 A584F371-F383 HydrophobicContact CB-CD2 4.47Å; F371-F383 HydrophobicContact CD1-CB 4.45Å; F371-F383 AromaticContact CD1-CD2 3.71Å; F371-F383 HydrophobicContact CD1-CD2 3.71Å; F371-F383 HydrophobicContact CD2-CB 4.3Å; F371-F383 HydrophobicContact CE1-CB 4.26Å; F371-F383 HydrophobicContact CE1-CD2 4.05Å; F371-F383 HydrophobicContact CE2-CB 4.09Å; F371-F383 HydrophobicContact CG-CB 4.47Å; F371-F383 HydrophobicContact CG-CD2 4.06Å; F371-F383 HydrophobicContact CZ-CB 4.07Å; S379-F383 PolarHBondContact O-N 2.96Å; L380-F383 HydrophobicContact CD1-CB 4.37Å; L380-F383 HydrophobicContact CD1-CD1 3.99Å; L380-F383 HydrophobicContact CD1-CG 4.4Å; L380-F383 WeakPolarHBondContact O-CB 3.29Å; L380-F383 PolarHBondContact O-N 3.08Å; F383-S385 PolarHBondContact O-N 2.92Å; F383-H386 PolarHBondContact O-N 3.16Å; F383-H386 VanDerWaalsContact O-N 3.11Å; F383-C387 HydrophobicContact CE1-CB 4.3Å; F383-C387 HydrophobicContact CZ-CB 4.4Å; F383-C387 PolarHBondContact O-N 3.19Å; F383-C387 PolarHBondContact O-SG 2.99Å; F383-C387 VanDerWaalsContact O-SG 3.35Å; F383-L395 HydrophobicContact CE2-CD1 3.87Å; F383-L395 HydrophobicContact CZ-CD1 4.31Å; F383-W413 AromaticContact CE1-CD2 4Å; F383-W413 HydrophobicContact CE1-CD2 4Å; F383-W413 AromaticContact CE1-CE2 3.62Å; F383-W413 HydrophobicContact CE1-CE3 4.46Å; F383-W413 HydrophobicContact CE1-CG 4.47Å; F383-W413 HydrophobicContact CE1-CH2 4.21Å; F383-W413 AromaticContact CE1-CZ2 3.7Å; F383-W413 HydrophobicContact CE1-CZ2 3.7Å; F383-W413 AromaticContact CZ-CE2 3.76Å; F383-W413 HydrophobicContact CZ-CH2 4.37Å; F383-W413 AromaticContact CZ-CZ2 3.6Å; F383-W413 HydrophobicContact CZ-CZ2 3.6Å; F383-W413 AromaticContact CZ-NE1 3.97Å; F383-I539 HydrophobicContact CD1-CD1 3.97Å; F383-I539 HydrophobicContact CE1-CD1 3.69Å; F383-I539 HydrophobicContact CE2-CD1 4.44Å; F383-I539 HydrophobicContact CG-CD1 4.5Å; F383-I539 HydrophobicContact CZ-CD1 3.96Å; F383-L556 HydrophobicContact CB-CD1 4.18Å; F383-L582 HydrophobicContact CD2-CD2 4.13Å; F383-L582 HydrophobicContact CE2-CD2 4.18Å; F383-A584 HydrophobicContact CD2-CB 4.35Å; F383-A584 HydrophobicContact CE2-CB 3.65Å; F383-A584 HydrophobicContact CZ-CB 4.39Å
384Y96.1Very high94.4Very high5 Ų546.6 Ų46.62%0.0228%0.277CS..Hα-helixtrans-59.5-44179.8-67.2-47.7000112.7L380 R382 H386 C387 E388 W413 R416 G534 S535L380-Y384 HydrophobicContact CD1-CD2 4.34Å; L380-Y384 HydrophobicContact CD1-CE1 4.13Å; L380-Y384 HydrophobicContact CD1-CE2 3.77Å; L380-Y384 HydrophobicContact CD2-CE2 4.04Å; L380-Y384 HydrophobicContact CG-CD2 4.16Å; L380-Y384 HydrophobicContact CG-CE2 3.52Å; L380-Y384 VanDerWaalsContact O-CD2 3.23Å; L380-Y384 WeakPolarHBondContact O-CD2 3.44Å; L380-Y384 PolarHBondContact O-N 2.98Å; R382-Y384 PolarHBondContact O-N 3.19Å; Y384-H386 PolarHBondContact O-N 3.16Å; Y384-C387 PolarHBondContact O-N 3.22Å; Y384-C387 VanDerWaalsContact O-N 3.12Å; Y384-E388 WeakPolarHBondContact O-CB 3.33Å; Y384-E388 WeakPolarHBondContact O-CG 3.31Å; Y384-E388 PolarHBondContact O-N 3.24Å; Y384-W413 HydrophobicContact CD1-CB 4.2Å; Y384-W413 HydrophobicContact CD1-CD2 4.43Å; Y384-W413 HydrophobicContact CD1-CE3 4.3Å; Y384-W413 HydrophobicContact CD1-CG 4.44Å; Y384-W413 HydrophobicContact CE1-CD2 4.25Å; Y384-W413 AromaticContact CE1-CE3 3.7Å; Y384-W413 HydrophobicContact CE1-CE3 3.7Å; Y384-W413 HydrophobicContact CE1-CZ3 4.2Å; Y384-R416 VanDerWaalsContact CG-CZ 3.5Å; Y384-G534 WeakPolarHBondContact OH-CA 3.32Å; Y384-S535 VanDerWaalsContact CE2-O 3.25Å; Y384-S535 WeakPolarHBondContact CE2-O 3.15Å; Y384-S535 PolarHBondContact OH-N 3.11Å; Y384-S535 PolarHBondContact OH-O 3.32Å
385S96.1Very high94.5Very high76 Ų7644 Ų4453%0.53126%0.258SS..Hα-helixtrans-61.9-18.6179.963.70000115S381 R382 F383S381-S385 PolarHBondContact O-N 3.15Å; R382-S385 WeakPolarHBondContact CA-OG 3.31Å; R382-S385 PolarHBondContact O-N 3.02Å; R382-S385 PolarHBondContact O-OG 2.87Å; F383-S385 PolarHBondContact O-N 2.92Å
386H96.8Very high94.6Very high63 Ų6339.4 Ų39.429%0.29223%0.23SC..Hα-helixtrans-97.8-26.3176.1-68.772.3000112.8L370 F371 H376 R382 F383 Y384L370-H386 WeakPolarHBondContact O-CB 3.35Å; L370-H386 PolarHBondContact O-CD2 2.81Å; F371-H386 HydrophobicContact CB-CB 4.21Å; F371-H386 HydrophobicContact CD2-CB 4.39Å; H376-H386 AromaticContact CE1-CD2 3.93Å; H376-H386 AromaticContact NE2-NE2 3.97Å; R382-H386 PolarHBondContact O-N 3.14Å; R382-H386 PolarHBondContact O-ND1 3.47Å; F383-H386 PolarHBondContact O-N 3.16Å; F383-H386 VanDerWaalsContact O-N 3.11Å; Y384-H386 PolarHBondContact O-N 3.16Å
387C96.2Very high94.7Very high0 Ų037 Ų370%022%0.219CC..Hα-helixtrans-100.1-19.9-174.8-59.90000113.8F383 Y384 H390 W413F383-C387 HydrophobicContact CE1-CB 4.3Å; F383-C387 HydrophobicContact CZ-CB 4.4Å; F383-C387 PolarHBondContact O-N 3.19Å; F383-C387 PolarHBondContact O-SG 2.99Å; F383-C387 VanDerWaalsContact O-SG 3.35Å; Y384-C387 PolarHBondContact O-N 3.22Å; Y384-C387 VanDerWaalsContact O-N 3.12Å; C387-H390 PolarHBondContact O-N 2.91Å; C387-W413 VanDerWaalsContact CB-CD1 3.48Å; C387-W413 HydrophobicContact CB-CG 4.28Å
388E94.8Very high94.7Very high48 Ų4839.6 Ų39.622%0.22422%0.221CC..THydrogen-bonded Turntrans-61.7133.7173.7-77.6173.2156.100110.8Y384 H390 W413 E414 R416 K417Y384-E388 WeakPolarHBondContact O-CB 3.33Å; Y384-E388 WeakPolarHBondContact O-CG 3.31Å; Y384-E388 PolarHBondContact O-N 3.24Å; E388-H390 VanDerWaalsContact C-N 3.33Å; E388-W413 HydrophobicContact CG-CB 4.33Å; E388-E414 HydrophobicContact CB-CG 4.05Å; E388-E414 HydrophobicContact CG-CG 4.01Å; E388-E414 WeakPolarHBondContact CG-OE1 3.47Å; E388-R416 IonicContact OE1-CZ 2.62Å; E388-R416 IonicContact OE1-NH1 3.88Å; E388-R416 PolarHBondContact OE1-NH1 3.42Å; E388-R416 IonicContact OE1-NH2 2.7Å; E388-R416 PolarHBondContact OE1-NH2 2.86Å; E388-K417 WeakPolarHBondContact OE1-CE 3.22Å; E388-K417 IonicContact OE1-NZ 2.75Å; E388-K417 PolarHBondContact OE1-NZ 3.08Å; E388-K417 IonicContact OE2-NZ 3.72Å
389G90.6Very high94.8Very high60 Ų6036.9 Ų36.962%0.61920%0.203SC*.THydrogen-bonded Turntrans88.9-5.7-175.900000114.6D412G389-D412 WeakPolarHBondContact CA-OD2 3.48Å; G389-D412 PolarHBondContact N-OD1 2.86Å; G389-D412 VanDerWaalsContact N-OD1 3.11Å; G389-D412 PolarHBondContact N-OD2 2.78Å
390H92.6Very high94.8Very high57 Ų5737.9 Ų37.926%0.26421%0.207SC..  trans-106.2120.7173.8-66.7-98000110.4E368 L370 C387 E388 T393E368-H390 IonicContact OE2-CE1 3.07Å; E368-H390 IonicContact OE2-ND1 2.75Å; L370-H390 HydrophobicContact CD1-CB 3.56Å; L370-H390 WeakPolarHBondContact CD2-CE1 3.24Å; L370-H390 WeakPolarHBondContact CD2-ND1 3.45Å; C387-H390 PolarHBondContact O-N 2.91Å; E388-H390 VanDerWaalsContact C-N 3.33Å; H390-T393 HydrophobicContact CB-CG2 4.12Å; H390-T393 WeakPolarHBondContact O-CG2 3.47Å
391E89.8Confident94.5Very high111 Ų11142.5 Ų42.552%0.51923%0.231SC..SBendtrans-139.3125.5176.1180176144.400109.9S410 D412E391-S410 WeakPolarHBondContact CG-O 3.48Å; E391-D412 HydrophobicContact CB-CB 4.25Å; E391-D412 PolarHBondContact OE2-N 3.21Å
392P91.9Very high94.2Very high1 Ų140.6 Ų40.61%0.00623%0.225CC..SBendcis-78.4-179.3-3.631-31.8000112.8F362 F408 L409 F587F362-P392 HydrophobicContact CD1-CG 4.09Å; F362-P392 HydrophobicContact CD2-CG 3.8Å; F362-P392 VanDerWaalsContact CE1-CD 3.45Å; F362-P392 HydrophobicContact CE1-CG 3.96Å; F362-P392 HydrophobicContact CE2-CB 4.48Å; F362-P392 HydrophobicContact CE2-CG 3.63Å; F362-P392 HydrophobicContact CG-CG 4Å; F362-P392 HydrophobicContact CZ-CG 3.7Å; P392-F408 HydrophobicContact CB-CE1 4.38Å; P392-F408 HydrophobicContact CB-CE2 3.66Å; P392-F408 HydrophobicContact CB-CZ 3.49Å; P392-F408 VanDerWaalsContact CB-CZ 3.49Å; P392-F408 HydrophobicContact CG-CE2 3.67Å; P392-F408 HydrophobicContact CG-CZ 3.61Å; P392-L409 WeakPolarHBondContact CA-O 3.3Å; P392-L409 WeakPolarHBondContact CB-O 3.39Å; P392-F587 HydrophobicContact CB-CD2 4.34Å; P392-F587 HydrophobicContact CB-CE2 4.18Å; P392-F587 HydrophobicContact CG-CD2 3.55Å; P392-F587 HydrophobicContact CG-CE2 3.67Å; P392-F587 HydrophobicContact CG-CG 4.02Å; P392-F587 HydrophobicContact CG-CZ 4.22Å; P392-F587 WeakPolarHBondContact O-CD2 3.36Å
393T95.9Very high93.8Very high2 Ų237.4 Ų37.41%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-130.7149.9169.854.40000112.1L370 H390 L409 W413 W585L370-T393 HydrophobicContact CD1-CG2 4.09Å; H390-T393 HydrophobicContact CB-CG2 4.12Å; H390-T393 WeakPolarHBondContact O-CG2 3.47Å; T393-L409 PolarHBondContact N-O 3.44Å; T393-L409 PolarHBondContact O-N 2.93Å; T393-W413 PolarHBondContact OG1-NE1 2.81Å; T393-W585 CarbonylContact C-O 3.57Å; T393-W585 VanDerWaalsContact CA-O 3.3Å; T393-W585 WeakPolarHBondContact CA-O 3.34Å
394L94.9Very high93.5Very high0 Ų038.2 Ų38.20%022%0.223CC..EExtended strand (participates in β ladder)trans-113.8122.5173.7176.275.5000109.3M351 I354 W355 F408 F434 A584 W585 F587M351-L394 HydrophobicContact CE-CD2 4.25Å; M351-L394 HydrophobicContact SD-CD2 3.88Å; I354-L394 HydrophobicContact CG2-CD1 3.84Å; I354-L394 HydrophobicContact CG2-CD2 3.87Å; I354-L394 HydrophobicContact CG2-CG 4.5Å; W355-L394 HydrophobicContact CE3-CD2 4.11Å; W355-L394 HydrophobicContact CZ3-CD2 3.8Å; L394-F408 HydrophobicContact CD1-CB 4.38Å; L394-F434 HydrophobicContact CD1-CE1 3.58Å; L394-F434 HydrophobicContact CD1-CZ 3.72Å; L394-A584 CarbonylContact O-C 3.46Å; L394-A584 WeakPolarHBondContact O-CA 3.48Å; L394-W585 HydrophobicContact CB-CB 4.16Å; L394-W585 PolarHBondContact N-O 3.09Å; L394-W585 PolarHBondContact O-N 2.99Å; L394-F587 HydrophobicContact CB-CE2 4.49Å; L394-F587 HydrophobicContact CB-CZ 4.34Å
395L97.2Very high93.3Very high2 Ų238 Ų381%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-100127.5177.5-16969.4000110F383 I397 G406 A407 L409 L550 I552 L582 A584F383-L395 HydrophobicContact CE2-CD1 3.87Å; F383-L395 HydrophobicContact CZ-CD1 4.31Å; L395-I397 HydrophobicContact CD2-CD1 4.15Å; L395-I397 HydrophobicContact CG-CD1 4.47Å; L395-I397 HydrophobicContact CG-CG1 4.34Å; L395-G406 CarbonylContact O-C 3.45Å; L395-G406 WeakPolarHBondContact O-CA 3.48Å; L395-A407 PolarHBondContact N-O 3.45Å; L395-A407 PolarHBondContact O-N 2.72Å; L395-L409 HydrophobicContact CB-CD1 4.45Å; L395-L550 HydrophobicContact CD2-CD2 4.21Å; L395-I552 HydrophobicContact CD2-CD1 3.73Å; L395-L582 HydrophobicContact CD1-CD1 4.1Å; L395-L582 HydrophobicContact CD1-CD2 3.73Å; L395-L582 HydrophobicContact CD1-CG 3.87Å; L395-A584 HydrophobicContact CD1-CB 4.46Å
396L97.2Very high93.1Very high0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-119.6137.1174-66.4178.7000110.2I345 V346 M351 I354 F434 L582 E583I345-L396 HydrophobicContact CB-CB 4.48Å; I345-L396 HydrophobicContact CD1-CB 3.9Å; I345-L396 WeakPolarHBondContact CD1-O 3.34Å; I345-L396 HydrophobicContact CG2-CB 4.24Å; V346-L396 HydrophobicContact CG1-CD1 4.22Å; V346-L396 HydrophobicContact CG1-CD2 4.49Å; V346-L396 HydrophobicContact CG2-CD1 3.66Å; M351-L396 HydrophobicContact CE-CD1 3.66Å; I354-L396 HydrophobicContact CD1-CD2 3.91Å; L396-F434 HydrophobicContact CD2-CE2 3.7Å; L396-F434 HydrophobicContact CD2-CZ 3.59Å; L396-L582 CarbonylContact O-C 3.57Å; L396-L582 VanDerWaalsContact O-CA 3.3Å; L396-L582 WeakPolarHBondContact O-CA 3.38Å; L396-E583 HydrophobicContact CB-CB 4.32Å; L396-E583 PolarHBondContact N-O 3.25Å; L396-E583 PolarHBondContact O-N 2.82Å
397I97.1Very high92.8Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-134.5128-176.6-57.7173.2000108L395 V404 C405 L550 I552 F577 I579 L581 L582L395-I397 HydrophobicContact CD2-CD1 4.15Å; L395-I397 HydrophobicContact CG-CD1 4.47Å; L395-I397 HydrophobicContact CG-CG1 4.34Å; I397-V404 CarbonylContact O-C 3.45Å; I397-V404 VanDerWaalsContact O-CA 3.27Å; I397-V404 WeakPolarHBondContact O-CA 3.27Å; I397-C405 WeakPolarHBondContact CA-O 3.43Å; I397-C405 WeakPolarHBondContact CB-O 3.36Å; I397-C405 PolarHBondContact N-O 3.28Å; I397-C405 PolarHBondContact O-N 2.81Å; I397-L550 HydrophobicContact CD1-CD1 4.05Å; I397-L550 HydrophobicContact CD1-CD2 3.79Å; I397-L550 HydrophobicContact CD1-CG 4.42Å; I397-I552 HydrophobicContact CD1-CD1 3.52Å; I397-I552 HydrophobicContact CD1-CG1 4.28Å; I397-F577 HydrophobicContact CG2-CE2 4.17Å; I397-I579 HydrophobicContact CG2-CD1 4.39Å; I397-I579 HydrophobicContact CG2-CG1 3.94Å; I397-I579 HydrophobicContact CG2-CG2 4.08Å; I397-L581 WeakPolarHBondContact CA-O 3.34Å; I397-L582 HydrophobicContact CG1-CD1 4.26Å; I397-L582 HydrophobicContact CG1-CG 4.29Å
398R95.9Very high92.5Very high81 Ų8131.4 Ų31.431%0.30618%0.183SC..EExtended strand (participates in β ladder)trans-103.6130.5162.8-169.4-179.2-78155.1-5.9108.5E344 I345 D403 V404 S580 L581E344-R398 PolarHBondContact O-NH1 2.84Å; E344-R398 PolarHBondContact O-NH2 3.08Å; I345-R398 VanDerWaalsContact C-NH2 3.26Å; I345-R398 VanDerWaalsContact CA-NH2 3.27Å; I345-R398 HydrophobicContact CG1-CB 4.32Å; I345-R398 HydrophobicContact CG2-CB 4.16Å; I345-R398 PolarHBondContact O-NH2 3.06Å; R398-D403 CarbonylContact C-O 3.49Å; R398-D403 WeakPolarHBondContact CA-O 3.44Å; R398-V404 HydrophobicContact CB-CG2 4.39Å; R398-V404 HydrophobicContact CG-CG2 4.14Å; R398-S580 WeakPolarHBondContact CG-OG 3.26Å; R398-S580 PolarHBondContact O-N 3.34Å; R398-S580 PolarHBondContact O-OG 3.12Å; R398-L581 HydrophobicContact CB-CB 4.31Å; R398-L581 PolarHBondContact N-O 3.21Å; R398-L581 PolarHBondContact O-N 3.01Å
399T94.6Very high92.3Very high2 Ų229.1 Ų29.11%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-83.5166.4173.175.30000110.7D401 G402 D403 F577 Q578 S580T399-D401 PolarHBondContact O-N 3.06Å; T399-D401 PolarHBondContact OG1-N 3.11Å; T399-G402 PolarHBondContact O-N 3.32Å; T399-G402 PolarHBondContact OG1-N 3.46Å; T399-D403 HydrophobicContact CG2-CB 4.04Å; T399-D403 PolarHBondContact N-O 3.35Å; T399-D403 PolarHBondContact OG1-N 3.03Å; T399-D403 VanDerWaalsContact OG1-N 3.15Å; T399-D403 PolarHBondContact OG1-O 2.85Å; T399-F577 HydrophobicContact CG2-CB 4.1Å; T399-F577 HydrophobicContact CG2-CD2 3.61Å; T399-F577 HydrophobicContact CG2-CE2 4.26Å; T399-F577 HydrophobicContact CG2-CG 4Å; T399-Q578 CarbonylContact C-O 3.48Å; T399-Q578 WeakPolarHBondContact CA-O 3.44Å; T399-Q578 WeakPolarHBondContact CB-O 3.4Å; T399-S580 PolarHBondContact O-OG 2.97Å
400T93.1Very high91.9Very high69 Ų6926.4 Ų26.442%0.42314%0.144SC..THydrogen-bonded Turntrans-67.1-21.1170.555.20000112.8G402 Q578T400-G402 VanDerWaalsContact C-N 3.25Å; T400-Q578 HydrophobicContact CG2-CB 3.82Å; T400-Q578 HydrophobicContact CG2-CG 3.8Å; T400-Q578 PolarHBondContact N-O 3.15Å
401D88.3Confident91.6Very high98 Ų9824 Ų2452%0.52413%0.134SC..THydrogen-bonded Turntrans-84.6-1178.5-64.5-21.5000111.9T399T399-D401 PolarHBondContact O-N 3.06Å; T399-D401 PolarHBondContact OG1-N 3.11Å
402G85.8Confident91.8Very high45 Ų4520.1 Ų20.146%0.46412%0.116SC..SBendtrans91.6-8.4176.900000114.8T399 T400T399-G402 PolarHBondContact O-N 3.32Å; T399-G402 PolarHBondContact OG1-N 3.46Å; T400-G402 VanDerWaalsContact C-N 3.25Å
403D87.2Confident91.9Very high65 Ų6520 Ų2035%0.34812%0.116SC..  trans-63.9140.6175.2-68.3-43.4000110.9R398 T399 C573R398-D403 CarbonylContact C-O 3.49Å; R398-D403 WeakPolarHBondContact CA-O 3.44Å; T399-D403 HydrophobicContact CG2-CB 4.04Å; T399-D403 PolarHBondContact N-O 3.35Å; T399-D403 PolarHBondContact OG1-N 3.03Å; T399-D403 VanDerWaalsContact OG1-N 3.15Å; T399-D403 PolarHBondContact OG1-O 2.85Å; D403-C573 HydrophobicContact CB-CB 3.98Å; D403-C573 WeakPolarHBondContact OD2-CB 3.24Å
404V90.8Very high91.7Very high18 Ų1823.5 Ų23.511%0.10913%0.132CC..EExtended strand (participates in β ladder)trans-115.3124.7173.2175.20000109.4I345 V346 I397 R398 R435 V436I345-V404 HydrophobicContact CG2-CG1 3.64Å; I345-V404 HydrophobicContact CG2-CG2 4.04Å; V346-V404 HydrophobicContact CG1-CG1 4.05Å; I397-V404 CarbonylContact O-C 3.45Å; I397-V404 VanDerWaalsContact O-CA 3.27Å; I397-V404 WeakPolarHBondContact O-CA 3.27Å; R398-V404 HydrophobicContact CB-CG2 4.39Å; R398-V404 HydrophobicContact CG-CG2 4.14Å; V404-R435 CarbonylContact O-C 3.5Å; V404-R435 WeakPolarHBondContact O-CA 3.47Å; V404-V436 HydrophobicContact CB-CB 3.96Å; V404-V436 HydrophobicContact CB-CG2 4.4Å; V404-V436 HydrophobicContact CG1-CB 3.84Å; V404-V436 HydrophobicContact CG1-CG2 3.73Å; V404-V436 PolarHBondContact O-N 3.38Å
405C91.8Very high91.3Very high1 Ų125.5 Ų25.51%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-141.7169.7178.166.30000111.5I397 F434 R435 L572I397-C405 WeakPolarHBondContact CA-O 3.43Å; I397-C405 WeakPolarHBondContact CB-O 3.36Å; I397-C405 PolarHBondContact N-O 3.28Å; I397-C405 PolarHBondContact O-N 2.81Å; C405-F434 WeakPolarHBondContact CA-O 3.17Å; C405-F434 WeakPolarHBondContact CB-O 3.4Å; C405-R435 HydrophobicContact CB-CB 4.32Å; C405-L572 HydrophobicContact CB-CB 4.08Å; C405-L572 HydrophobicContact CB-CD1 4.39Å
406G93.3Very high91Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-177.1-175.8-174.200000114.9L395 V433 F434L395-G406 CarbonylContact O-C 3.45Å; L395-G406 WeakPolarHBondContact O-CA 3.48Å; G406-V433 WeakPolarHBondContact O-CA 3.43Å; G406-F434 PolarHBondContact N-O 3.47Å; G406-F434 PolarHBondContact O-N 2.87Å
407A90.8Very high90.5Very high0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-147.4142.8178.500000112L395 L409 F432 V433 V541L395-A407 PolarHBondContact N-O 3.45Å; L395-A407 PolarHBondContact O-N 2.72Å; A407-L409 HydrophobicContact CB-CD2 4.01Å; A407-L409 HydrophobicContact CB-CG 4.33Å; A407-F432 CarbonylContact C-O 3.53Å; A407-F432 VanDerWaalsContact CA-O 3.27Å; A407-F432 WeakPolarHBondContact CA-O 3.33Å; A407-V433 HydrophobicContact CB-CG1 4.09Å; A407-V541 HydrophobicContact CB-CB 4.49Å; A407-V541 HydrophobicContact CB-CG1 3.88Å; A407-V541 HydrophobicContact CB-CG2 4.26Å
408F89.1Confident89.7Confident0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-93.5130.6162.7175.6-95.9000109.2I358 P359 F362 P392 L394 E430 C431 F432 F587I358-F408 HydrophobicContact CD1-CD2 4.32Å; I358-F408 HydrophobicContact CD1-CE2 4.49Å; I358-F408 HydrophobicContact CG1-CD2 4.14Å; I358-F408 HydrophobicContact CG1-CE2 4.36Å; I358-F408 HydrophobicContact CG2-CD2 4.31Å; I358-F408 HydrophobicContact CG2-CE2 3.69Å; I358-F408 HydrophobicContact CG2-CZ 4.12Å; P359-F408 HydrophobicContact CG-CE1 4.07Å; P359-F408 HydrophobicContact CG-CZ 4.2Å; F362-F408 HydrophobicContact CD2-CZ 4.14Å; F362-F408 HydrophobicContact CE2-CZ 4.16Å; P392-F408 HydrophobicContact CB-CE1 4.38Å; P392-F408 HydrophobicContact CB-CE2 3.66Å; P392-F408 HydrophobicContact CB-CZ 3.49Å; P392-F408 VanDerWaalsContact CB-CZ 3.49Å; P392-F408 HydrophobicContact CG-CE2 3.67Å; P392-F408 HydrophobicContact CG-CZ 3.61Å; L394-F408 HydrophobicContact CD1-CB 4.38Å; F408-E430 VanDerWaalsContact CD1-O 3.32Å; F408-E430 WeakPolarHBondContact CD1-O 3.23Å; F408-C431 VanDerWaalsContact O-CA 3.28Å; F408-C431 WeakPolarHBondContact O-CA 3.48Å; F408-F432 HydrophobicContact CB-CD1 3.74Å; F408-F432 HydrophobicContact CB-CD2 4.23Å; F408-F432 HydrophobicContact CB-CE1 3.33Å; F408-F432 HydrophobicContact CB-CE2 3.85Å; F408-F432 HydrophobicContact CB-CG 4.18Å; F408-F432 HydrophobicContact CB-CZ 3.38Å; F408-F432 AromaticContact CD1-CD1 3.93Å; F408-F432 HydrophobicContact CD1-CD1 3.93Å; F408-F432 AromaticContact CD1-CE1 3.63Å; F408-F432 HydrophobicContact CD1-CE1 3.63Å; F408-F432 HydrophobicContact CD1-CZ 4.47Å; F408-F432 HydrophobicContact CD2-CE1 4.49Å; F408-F432 HydrophobicContact CG-CD1 4.15Å; F408-F432 AromaticContact CG-CE1 3.57Å; F408-F432 HydrophobicContact CG-CE1 3.57Å; F408-F432 AromaticContact CG-CZ 3.96Å; F408-F432 HydrophobicContact CG-CZ 3.96Å; F408-F432 PolarHBondContact N-O 2.95Å; F408-F432 PolarHBondContact O-N 2.8Å; F408-F587 HydrophobicContact CD2-CZ 4.1Å; F408-F587 HydrophobicContact CE2-CE1 4.38Å; F408-F587 HydrophobicContact CE2-CE2 4.08Å; F408-F587 AromaticContact CE2-CZ 3.68Å; F408-F587 HydrophobicContact CE2-CZ 3.68Å
409L91.4Very high88.3Confident0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-124.1117.7-169.3-58.4175.1000109.2P392 T393 L395 A407 W413 M532 V541P392-L409 WeakPolarHBondContact CA-O 3.3Å; P392-L409 WeakPolarHBondContact CB-O 3.39Å; T393-L409 PolarHBondContact N-O 3.44Å; T393-L409 PolarHBondContact O-N 2.93Å; L395-L409 HydrophobicContact CB-CD1 4.45Å; A407-L409 HydrophobicContact CB-CD2 4.01Å; A407-L409 HydrophobicContact CB-CG 4.33Å; L409-W413 HydrophobicContact CD1-CH2 3.72Å; L409-W413 HydrophobicContact CD1-CZ2 3.2Å; L409-M532 HydrophobicContact CB-CE 3.83Å; L409-M532 HydrophobicContact CB-SD 3.92Å; L409-M532 HydrophobicContact CD1-CE 4.04Å; L409-M532 HydrophobicContact CD2-CB 4.2Å; L409-M532 HydrophobicContact CD2-CE 4.18Å; L409-M532 HydrophobicContact CD2-SD 4.2Å; L409-M532 HydrophobicContact CG-CE 4.24Å; L409-V541 HydrophobicContact CD2-CB 4.41Å; L409-V541 HydrophobicContact CD2-CG1 3.66Å; L409-V541 HydrophobicContact CD2-CG2 3.84Å
410S81.2Confident87.2Confident3 Ų340.6 Ų40.62%0.02123%0.226CC..  trans-84.7-9.9-164.356.40000115.4E391 T428 C431E391-S410 WeakPolarHBondContact CG-O 3.48Å; S410-T428 WeakPolarHBondContact CB-OG1 3.18Å; S410-T428 PolarHBondContact OG-N 2.96Å; S410-T428 PolarHBondContact OG-OG1 3.14Å; S410-C431 PolarHBondContact N-SG 2.89Å; S410-C431 PolarHBondContact OG-SG 3.25Å
411S87Confident85.9Confident7 Ų745.3 Ų45.35%0.04925%0.249CC..SBendtrans-133152.6-173.6-64.40000112.6G427S411-G427 WeakPolarHBondContact OG-CA 3.24Å
412D92.9Very high85.3Confident28 Ų2848.9 Ų48.915%0.1526%0.26CS..  trans-57.6139176.2-166.3-32.7000112.3G389 E391 E414 E415 F426G389-D412 WeakPolarHBondContact CA-OD2 3.48Å; G389-D412 PolarHBondContact N-OD1 2.86Å; G389-D412 VanDerWaalsContact N-OD1 3.11Å; G389-D412 PolarHBondContact N-OD2 2.78Å; E391-D412 HydrophobicContact CB-CB 4.25Å; E391-D412 PolarHBondContact OE2-N 3.21Å; D412-E414 PolarHBondContact O-N 3.39Å; D412-E414 WeakPolarHBondContact OD1-CB 3.26Å; D412-E414 PolarHBondContact OD1-N 3.47Å; D412-E415 WeakPolarHBondContact O-CB 3.35Å; D412-E415 WeakPolarHBondContact O-CG 3.43Å; D412-E415 PolarHBondContact O-N 2.83Å; D412-E415 VanDerWaalsContact O-N 3.14Å; D412-F426 WeakPolarHBondContact O-CE2 3.35Å
413W93.9Very high85.1Confident0 Ų050.8 Ų50.80%026%0.259CS..G310 helixtrans-63.1-20174.4-69.1100.1000114.1F383 Y384 C387 E388 T393 L409 E415 R416 F426 M532 I539F383-W413 AromaticContact CE1-CD2 4Å; F383-W413 HydrophobicContact CE1-CD2 4Å; F383-W413 AromaticContact CE1-CE2 3.62Å; F383-W413 HydrophobicContact CE1-CE3 4.46Å; F383-W413 HydrophobicContact CE1-CG 4.47Å; F383-W413 HydrophobicContact CE1-CH2 4.21Å; F383-W413 AromaticContact CE1-CZ2 3.7Å; F383-W413 HydrophobicContact CE1-CZ2 3.7Å; F383-W413 AromaticContact CZ-CE2 3.76Å; F383-W413 HydrophobicContact CZ-CH2 4.37Å; F383-W413 AromaticContact CZ-CZ2 3.6Å; F383-W413 HydrophobicContact CZ-CZ2 3.6Å; F383-W413 AromaticContact CZ-NE1 3.97Å; Y384-W413 HydrophobicContact CD1-CB 4.2Å; Y384-W413 HydrophobicContact CD1-CD2 4.43Å; Y384-W413 HydrophobicContact CD1-CE3 4.3Å; Y384-W413 HydrophobicContact CD1-CG 4.44Å; Y384-W413 HydrophobicContact CE1-CD2 4.25Å; Y384-W413 AromaticContact CE1-CE3 3.7Å; Y384-W413 HydrophobicContact CE1-CE3 3.7Å; Y384-W413 HydrophobicContact CE1-CZ3 4.2Å; C387-W413 VanDerWaalsContact CB-CD1 3.48Å; C387-W413 HydrophobicContact CB-CG 4.28Å; E388-W413 HydrophobicContact CG-CB 4.33Å; T393-W413 PolarHBondContact OG1-NE1 2.81Å; L409-W413 HydrophobicContact CD1-CH2 3.72Å; L409-W413 HydrophobicContact CD1-CZ2 3.2Å; W413-E415 PolarHBondContact O-N 3.09Å; W413-R416 WeakPolarHBondContact O-CB 3.36Å; W413-R416 WeakPolarHBondContact O-CD 3.43Å; W413-R416 WeakPolarHBondContact O-CG 3.23Å; W413-R416 PolarHBondContact O-N 3.34Å; W413-R416 PolarHBondContact O-NH1 3.26Å; W413-F426 HydrophobicContact CE3-CZ 4.15Å; W413-M532 HydrophobicContact CD2-CE 4.09Å; W413-M532 HydrophobicContact CE3-CE 3.95Å; W413-M532 HydrophobicContact CH2-CE 3.82Å; W413-M532 HydrophobicContact CZ2-CE 3.97Å; W413-M532 HydrophobicContact CZ3-CE 3.8Å; W413-I539 HydrophobicContact CH2-CD1 4.24Å; W413-I539 HydrophobicContact CH2-CG1 4.2Å; W413-I539 HydrophobicContact CH2-CG2 3.62Å; W413-I539 HydrophobicContact CZ3-CG1 4.28Å; W413-I539 HydrophobicContact CZ3-CG2 4.14Å
414E91.6Very high84.9Confident75 Ų7549.1 Ų49.135%0.3525%0.252SS..G310 helixtrans-56-30.5170.4-80.1-66.615500112.6E388 D412 R416 K417E388-E414 HydrophobicContact CB-CG 4.05Å; E388-E414 HydrophobicContact CG-CG 4.01Å; E388-E414 WeakPolarHBondContact CG-OE1 3.47Å; D412-E414 PolarHBondContact O-N 3.39Å; D412-E414 WeakPolarHBondContact OD1-CB 3.26Å; D412-E414 PolarHBondContact OD1-N 3.47Å; E414-R416 PolarHBondContact O-N 3.01Å; E414-R416 VanDerWaalsContact O-N 3.07Å; E414-K417 WeakPolarHBondContact O-CB 3.04Å; E414-K417 PolarHBondContact O-N 2.94Å; E414-K417 IonicContact OE1-NZ 3.79Å; E414-K417 PolarHBondContact OE1-NZ 3.16Å; E414-K417 VanDerWaalsContact OE2-CD 3.29Å; E414-K417 WeakPolarHBondContact OE2-CD 3.42Å; E414-K417 WeakPolarHBondContact OE2-CE 3.5Å; E414-K417 IonicContact OE2-NZ 3.73Å; E414-K417 PolarHBondContact OE2-NZ 2.91Å
415E88.3Confident84.8Confident41 Ų4151.6 Ų51.619%0.19226%0.26CS..G310 helixtrans-59.9-24.7-179.2-66.6-140.4156.200113D412 W413 K417 R418 F426D412-E415 WeakPolarHBondContact O-CB 3.35Å; D412-E415 WeakPolarHBondContact O-CG 3.43Å; D412-E415 PolarHBondContact O-N 2.83Å; D412-E415 VanDerWaalsContact O-N 3.14Å; W413-E415 PolarHBondContact O-N 3.09Å; E415-K417 PolarHBondContact O-N 2.68Å; E415-K417 VanDerWaalsContact O-N 3.1Å; E415-R418 VanDerWaalsContact CD-CZ 3.49Å; E415-R418 VanDerWaalsContact O-CB 3.31Å; E415-R418 WeakPolarHBondContact O-CB 3.38Å; E415-R418 WeakPolarHBondContact O-CG 3.45Å; E415-R418 PolarHBondContact O-N 3.42Å; E415-R418 IonicContact OE1-CZ 3.74Å; E415-R418 IonicContact OE1-NH1 3.91Å; E415-R418 PolarHBondContact OE1-NH1 3.22Å; E415-R418 IonicContact OE1-NH2 2.69Å; E415-R418 PolarHBondContact OE1-NH2 2.98Å; E415-R418 IonicContact OE2-CZ 3.13Å; E415-R418 IonicContact OE2-NH1 2.7Å; E415-R418 PolarHBondContact OE2-NH1 2.78Å; E415-F426 HydrophobicContact CB-CB 4.1Å; E415-F426 HydrophobicContact CB-CD1 4.32Å; E415-F426 HydrophobicContact CB-CD2 3.59Å; E415-F426 HydrophobicContact CB-CE2 3.99Å; E415-F426 HydrophobicContact CB-CG 3.77Å; E415-F426 HydrophobicContact CG-CD2 4.35Å; E415-F426 WeakPolarHBondContact OE2-CB 3.25Å
416R89.4Confident84.5Confident28 Ų2852.3 Ų52.311%0.10626%0.263CS..G310 helixtrans-57.8-26.6175.885.4-169.4-178.1-70.5-0.3113Y384 E388 W413 E414 R418 F426Y384-R416 VanDerWaalsContact CG-CZ 3.5Å; E388-R416 IonicContact OE1-CZ 2.62Å; E388-R416 IonicContact OE1-NH1 3.88Å; E388-R416 PolarHBondContact OE1-NH1 3.42Å; E388-R416 IonicContact OE1-NH2 2.7Å; E388-R416 PolarHBondContact OE1-NH2 2.86Å; W413-R416 WeakPolarHBondContact O-CB 3.36Å; W413-R416 WeakPolarHBondContact O-CD 3.43Å; W413-R416 WeakPolarHBondContact O-CG 3.23Å; W413-R416 PolarHBondContact O-N 3.34Å; W413-R416 PolarHBondContact O-NH1 3.26Å; E414-R416 PolarHBondContact O-N 3.01Å; E414-R416 VanDerWaalsContact O-N 3.07Å; R416-R418 VanDerWaalsContact C-N 3.29Å; R416-R418 PolarHBondContact O-N 3.45Å; R416-F426 HydrophobicContact CB-CE1 3.74Å; R416-F426 HydrophobicContact CB-CZ 4.11Å
417K87.8Confident83.9Confident104 Ų10453.2 Ų53.245%0.45227%0.273SS..G310 helixtrans-75.5-17-179.6-61177.8-169.5158.20112.5E388 E414 E415 G419 G420E388-K417 WeakPolarHBondContact OE1-CE 3.22Å; E388-K417 IonicContact OE1-NZ 2.75Å; E388-K417 PolarHBondContact OE1-NZ 3.08Å; E388-K417 IonicContact OE2-NZ 3.72Å; E414-K417 WeakPolarHBondContact O-CB 3.04Å; E414-K417 PolarHBondContact O-N 2.94Å; E414-K417 IonicContact OE1-NZ 3.79Å; E414-K417 PolarHBondContact OE1-NZ 3.16Å; E414-K417 VanDerWaalsContact OE2-CD 3.29Å; E414-K417 WeakPolarHBondContact OE2-CD 3.42Å; E414-K417 WeakPolarHBondContact OE2-CE 3.5Å; E414-K417 IonicContact OE2-NZ 3.73Å; E414-K417 PolarHBondContact OE2-NZ 2.91Å; E415-K417 PolarHBondContact O-N 2.68Å; E415-K417 VanDerWaalsContact O-N 3.1Å; K417-G419 VanDerWaalsContact C-N 3.25Å; K417-G419 PolarHBondContact O-N 3.03Å; K417-G420 PolarHBondContact O-N 3.37Å
418R80.8Confident83.1Confident189 Ų18955.9 Ų55.971%0.71329%0.289SS*.G310 helixtrans-62.9-29.6-178.2-69.2-175.4179.3160.29.8113E415 R416 G420E415-R418 VanDerWaalsContact CD-CZ 3.49Å; E415-R418 VanDerWaalsContact O-CB 3.31Å; E415-R418 WeakPolarHBondContact O-CB 3.38Å; E415-R418 WeakPolarHBondContact O-CG 3.45Å; E415-R418 PolarHBondContact O-N 3.42Å; E415-R418 IonicContact OE1-CZ 3.74Å; E415-R418 IonicContact OE1-NH1 3.91Å; E415-R418 PolarHBondContact OE1-NH1 3.22Å; E415-R418 IonicContact OE1-NH2 2.69Å; E415-R418 PolarHBondContact OE1-NH2 2.98Å; E415-R418 IonicContact OE2-CZ 3.13Å; E415-R418 IonicContact OE2-NH1 2.7Å; E415-R418 PolarHBondContact OE2-NH1 2.78Å; R416-R418 VanDerWaalsContact C-N 3.29Å; R416-R418 PolarHBondContact O-N 3.45Å; R418-G420 VanDerWaalsContact C-N 3.34Å
419G65.3Low81.9Confident30 Ų3056.6 Ų56.631%0.30930%0.296SS..G310 helixtrans-81.6-2.5179.300000115.7K417 K422K417-G419 VanDerWaalsContact C-N 3.25Å; K417-G419 PolarHBondContact O-N 3.03Å; G419-K422 PolarHBondContact O-N 2.91Å
420G71Confident81Confident52 Ų5258.4 Ų58.454%0.53631%0.305SS..THydrogen-bonded Turntrans64-135.3-17000000111.7K417 R418 K422K417-G420 PolarHBondContact O-N 3.37Å; R418-G420 VanDerWaalsContact C-N 3.34Å; G420-K422 PolarHBondContact O-N 3.13Å
421N67.1Low80.8Confident168 Ų16858.4 Ų58.490%0.89831%0.305SS*.THydrogen-bonded Turntrans-79.83.5177.2-73.51000113.9
422K74.6Confident80.5Confident173 Ų17359.8 Ų59.875%0.75231%0.31SS*.SBendtrans-99135.3177.7-69-177.4-180179.10109.5G419 G420 S424G419-K422 PolarHBondContact O-N 2.91Å; G420-K422 PolarHBondContact O-N 3.13Å; K422-S424 PolarHBondContact O-N 3.2Å; K422-S424 VanDerWaalsContact O-N 3.12Å
423L81.9Confident80.1Confident84 Ų8459.5 Ų59.544%0.4431%0.309SS..  trans-58.2116.1171.8-174.976.1000109.6Y425 A533 I540L423-Y425 HydrophobicContact CD2-CE2 4.48Å; L423-A533 HydrophobicContact CD1-CB 3.8Å; L423-A533 HydrophobicContact CG-CB 4.16Å; L423-I540 HydrophobicContact CD1-CD1 4.39Å; L423-I540 HydrophobicContact CD2-CD1 3.78Å
424S83.8Confident79.6Confident31 Ų3160.1 Ų60.122%0.21731%0.312CS..  trans-119.5133176.456.20000109.9K422K422-S424 PolarHBondContact O-N 3.2Å; K422-S424 VanDerWaalsContact O-N 3.12Å
425Y87.2Confident79.3Confident70 Ų7063.5 Ų63.528%0.27532%0.321SS..EExtended strand (participates in β ladder)trans-82.3143.9171.7-71.4-96.6000111L423 S529 M530 M532 A533 I540L423-Y425 HydrophobicContact CD2-CE2 4.48Å; Y425-S529 WeakPolarHBondContact CB-O 3.22Å; Y425-M530 VanDerWaalsContact CD1-C 3.49Å; Y425-M530 VanDerWaalsContact CD1-CA 3.42Å; Y425-M530 HydrophobicContact CD1-CB 3.7Å; Y425-M530 HydrophobicContact CD1-CG 4.11Å; Y425-M530 HydrophobicContact CD2-CB 4.41Å; Y425-M530 HydrophobicContact CD2-CG 3.89Å; Y425-M530 HydrophobicContact CE1-CB 3.89Å; Y425-M530 HydrophobicContact CE1-CG 4.32Å; Y425-M530 HydrophobicContact CE2-CG 4.14Å; Y425-M530 HydrophobicContact CE2-SD 4.32Å; Y425-M530 HydrophobicContact CG-CB 3.97Å; Y425-M530 HydrophobicContact CG-CG 3.87Å; Y425-M532 CarbonylContact C-O 2.93Å; Y425-M532 VanDerWaalsContact CA-O 3.25Å; Y425-M532 WeakPolarHBondContact CA-O 3.49Å; Y425-A533 HydrophobicContact CD1-CB 3.74Å; Y425-A533 HydrophobicContact CD2-CB 4.35Å; Y425-A533 HydrophobicContact CE1-CB 3.95Å; Y425-A533 HydrophobicContact CG-CB 3.97Å; Y425-I540 HydrophobicContact CE1-CG2 4.08Å
426F87.3Confident78.8Confident15 Ų1562.7 Ų62.77%0.06632%0.32CS..EExtended strand (participates in β ladder)trans-144-172.3177.859.5-85.1000109.3D412 W413 E415 R416 F531 M532D412-F426 WeakPolarHBondContact O-CE2 3.35Å; W413-F426 HydrophobicContact CE3-CZ 4.15Å; E415-F426 HydrophobicContact CB-CB 4.1Å; E415-F426 HydrophobicContact CB-CD1 4.32Å; E415-F426 HydrophobicContact CB-CD2 3.59Å; E415-F426 HydrophobicContact CB-CE2 3.99Å; E415-F426 HydrophobicContact CB-CG 3.77Å; E415-F426 HydrophobicContact CG-CD2 4.35Å; E415-F426 WeakPolarHBondContact OE2-CB 3.25Å; R416-F426 HydrophobicContact CB-CE1 3.74Å; R416-F426 HydrophobicContact CB-CZ 4.11Å; F426-F531 WeakPolarHBondContact O-CB 3.41Å; F426-M532 HydrophobicContact CD2-CE 4.34Å; F426-M532 HydrophobicContact CD2-CG 3.68Å; F426-M532 HydrophobicContact CD2-SD 3.95Å; F426-M532 HydrophobicContact CE2-CE 3.44Å; F426-M532 VanDerWaalsContact CE2-CE 3.44Å; F426-M532 HydrophobicContact CE2-CG 3.64Å; F426-M532 HydrophobicContact CE2-SD 3.64Å; F426-M532 HydrophobicContact CG-CG 4.19Å; F426-M532 HydrophobicContact CZ-CE 3.82Å; F426-M532 HydrophobicContact CZ-CG 4.1Å; F426-M532 HydrophobicContact CZ-SD 4.43Å; F426-M532 PolarHBondContact N-O 2.85Å; F426-M532 VanDerWaalsContact O-CG 3.32Å; F426-M532 WeakPolarHBondContact O-CG 3.34Å; F426-M532 PolarHBondContact O-N 2.97Å; F426-M532 VanDerWaalsContact O-O 3.13Å
427G79.4Confident77.5Confident20 Ų2063.1 Ų63.121%0.20633%0.327CS..  trans95167.3-172.700000113.2S411 F531S411-G427 WeakPolarHBondContact OG-CA 3.24Å; G427-F531 WeakPolarHBondContact O-CD2 3.25Å
428T73.4Confident75.4Confident55 Ų5565.5 Ų65.534%0.33734%0.34SS..  trans-108.4172.117679.20000111S410 E430 C431 F531S410-T428 WeakPolarHBondContact CB-OG1 3.18Å; S410-T428 PolarHBondContact OG-N 2.96Å; S410-T428 PolarHBondContact OG-OG1 3.14Å; T428-E430 PolarHBondContact O-N 3.21Å; T428-E430 WeakPolarHBondContact OG1-CB 3.42Å; T428-E430 PolarHBondContact OG1-N 3.34Å; T428-C431 PolarHBondContact O-N 3.04Å; T428-F531 WeakPolarHBondContact O-CD1 3.36Å; T428-F531 VanDerWaalsContact O-CG 3.31Å; T428-F531 WeakPolarHBondContact O-CG 3.41Å
429G64.8Low73.3Confident15 Ų1560.9 Ų60.916%0.15533%0.329CS..THydrogen-bonded Turntrans-64.58.1172.500000115.3F521G429-F521 VanDerWaalsContact O-CD2 3.22Å; G429-F521 WeakPolarHBondContact O-CD2 3.4Å; G429-F521 WeakPolarHBondContact O-CE2 3.33Å
430E72.8Confident71.7Confident38 Ų3861.7 Ų61.718%0.17833%0.327CS..THydrogen-bonded Turntrans-93-8.3173.9-60.4-176.1110.300113.2P359 R361 F408 T428 H520P359-E430 HydrophobicContact CG-CB 4.5Å; R361-E430 IonicContact CZ-OE1 3Å; R361-E430 IonicContact CZ-OE2 3.3Å; R361-E430 IonicContact NH1-OE1 2.79Å; R361-E430 PolarHBondContact NH1-OE1 3.4Å; R361-E430 IonicContact NH1-OE2 3.82Å; R361-E430 PolarHBondContact NH1-OE2 2.79Å; R361-E430 IonicContact NH2-OE1 3.96Å; R361-E430 PolarHBondContact NH2-OE1 3.33Å; R361-E430 IonicContact NH2-OE2 2.77Å; R361-E430 PolarHBondContact NH2-OE2 3.35Å; F408-E430 VanDerWaalsContact CD1-O 3.32Å; F408-E430 WeakPolarHBondContact CD1-O 3.23Å; T428-E430 PolarHBondContact O-N 3.21Å; T428-E430 WeakPolarHBondContact OG1-CB 3.42Å; T428-E430 PolarHBondContact OG1-N 3.34Å; E430-H520 VanDerWaalsContact CG-CE1 3.48Å; E430-H520 WeakPolarHBondContact CG-CE1 3.26Å; E430-H520 IonicContact OE1-CE1 2.74Å
431C77.3Confident69.8Low3 Ų364.6 Ų64.62%0.0233%0.33CS..  trans-61.9142.2169.4-66.10000110.6F408 S410 T428 F531 F567F408-C431 VanDerWaalsContact O-CA 3.28Å; F408-C431 WeakPolarHBondContact O-CA 3.48Å; S410-C431 PolarHBondContact N-SG 2.89Å; S410-C431 PolarHBondContact OG-SG 3.25Å; T428-C431 PolarHBondContact O-N 3.04Å; C431-F531 HydrophobicContact CB-CB 4.13Å; C431-F567 HydrophobicContact CB-CE1 3.94Å; C431-F567 HydrophobicContact CB-CZ 3.86Å; C431-F567 WeakPolarHBondContact O-CE1 3.14Å
432F81.1Confident67.9Low36 Ų3661.5 Ų61.516%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-150.5155.5171.463.2-94.5000111W357 A407 F408 F434W357-F432 HydrophobicContact CB-CE2 3.93Å; W357-F432 HydrophobicContact CB-CZ 3.69Å; W357-F432 HydrophobicContact CE3-CE2 4.33Å; W357-F432 WeakPolarHBondContact O-CE1 3.38Å; W357-F432 WeakPolarHBondContact O-CZ 3.08Å; A407-F432 CarbonylContact C-O 3.53Å; A407-F432 VanDerWaalsContact CA-O 3.27Å; A407-F432 WeakPolarHBondContact CA-O 3.33Å; F408-F432 HydrophobicContact CB-CD1 3.74Å; F408-F432 HydrophobicContact CB-CD2 4.23Å; F408-F432 HydrophobicContact CB-CE1 3.33Å; F408-F432 HydrophobicContact CB-CE2 3.85Å; F408-F432 HydrophobicContact CB-CG 4.18Å; F408-F432 HydrophobicContact CB-CZ 3.38Å; F408-F432 AromaticContact CD1-CD1 3.93Å; F408-F432 HydrophobicContact CD1-CD1 3.93Å; F408-F432 AromaticContact CD1-CE1 3.63Å; F408-F432 HydrophobicContact CD1-CE1 3.63Å; F408-F432 HydrophobicContact CD1-CZ 4.47Å; F408-F432 HydrophobicContact CD2-CE1 4.49Å; F408-F432 HydrophobicContact CG-CD1 4.15Å; F408-F432 AromaticContact CG-CE1 3.57Å; F408-F432 HydrophobicContact CG-CE1 3.57Å; F408-F432 AromaticContact CG-CZ 3.96Å; F408-F432 HydrophobicContact CG-CZ 3.96Å; F408-F432 PolarHBondContact N-O 2.95Å; F408-F432 PolarHBondContact O-N 2.8Å; F432-F434 HydrophobicContact CD2-CD1 4.05Å; F432-F434 AromaticContact CE2-CD1 3.75Å; F432-F434 HydrophobicContact CE2-CD1 3.75Å; F432-F434 HydrophobicContact CE2-CE1 4.33Å
433V82.9Confident65.7Low22 Ų2259.9 Ų59.913%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-108.8152.8174.6-66.20000110.5G406 A407 V541 A549 F567 N569 L572G406-V433 WeakPolarHBondContact O-CA 3.43Å; A407-V433 HydrophobicContact CB-CG1 4.09Å; V433-V541 HydrophobicContact CG1-CG1 3.92Å; V433-A549 HydrophobicContact CG1-CB 3.95Å; V433-A549 HydrophobicContact CG2-CB 4.15Å; V433-F567 HydrophobicContact CG1-CD2 4.1Å; V433-F567 HydrophobicContact CG1-CE2 4.02Å; V433-F567 HydrophobicContact CG2-CB 4.46Å; V433-F567 HydrophobicContact CG2-CD2 4.11Å; V433-N569 HydrophobicContact CG2-CB 4.06Å; V433-L572 HydrophobicContact CB-CD1 4.01Å; V433-L572 HydrophobicContact CB-CD2 4.11Å; V433-L572 HydrophobicContact CG1-CD1 4.48Å; V433-L572 HydrophobicContact CG2-CD2 3.91Å
434F84.5Confident63.3Low13 Ų1358.7 Ų58.76%0.05734%0.338CS..EExtended strand (participates in β ladder)trans-148.7165.6-179.560.4-93000112.5I354 W357 L394 L396 C405 G406 F432 V436I354-F434 HydrophobicContact CD1-CE2 3.89Å; I354-F434 HydrophobicContact CD1-CZ 4.4Å; I354-F434 HydrophobicContact CG1-CE2 4.14Å; I354-F434 HydrophobicContact CG2-CE1 4.14Å; I354-F434 HydrophobicContact CG2-CE2 4.19Å; I354-F434 HydrophobicContact CG2-CZ 3.81Å; W357-F434 HydrophobicContact CE3-CB 4.09Å; W357-F434 HydrophobicContact CE3-CD1 4.44Å; W357-F434 HydrophobicContact CE3-CG 4.13Å; W357-F434 HydrophobicContact CZ3-CB 3.65Å; W357-F434 HydrophobicContact CZ3-CD1 4.46Å; W357-F434 AromaticContact CZ3-CD2 3.84Å; W357-F434 HydrophobicContact CZ3-CD2 3.84Å; W357-F434 AromaticContact CZ3-CG 3.73Å; W357-F434 HydrophobicContact CZ3-CG 3.73Å; L394-F434 HydrophobicContact CD1-CE1 3.58Å; L394-F434 HydrophobicContact CD1-CZ 3.72Å; L396-F434 HydrophobicContact CD2-CE2 3.7Å; L396-F434 HydrophobicContact CD2-CZ 3.59Å; C405-F434 WeakPolarHBondContact CA-O 3.17Å; C405-F434 WeakPolarHBondContact CB-O 3.4Å; G406-F434 PolarHBondContact N-O 3.47Å; G406-F434 PolarHBondContact O-N 2.87Å; F432-F434 HydrophobicContact CD2-CD1 4.05Å; F432-F434 AromaticContact CE2-CD1 3.75Å; F432-F434 HydrophobicContact CE2-CD1 3.75Å; F432-F434 HydrophobicContact CE2-CE1 4.33Å; F434-V436 HydrophobicContact CD2-CG2 4.29Å; F434-V436 HydrophobicContact CE2-CG2 4.29Å
435R85.3Confident60.7Low146 Ų14665.5 Ų65.555%0.55137%0.372SS*.EExtended strand (participates in β ladder)trans-130.8141.5167.773.7-179.5-162.8114.54.4109.7V404 C405 L572V404-R435 CarbonylContact O-C 3.5Å; V404-R435 WeakPolarHBondContact O-CA 3.47Å; C405-R435 HydrophobicContact CB-CB 4.32Å; R435-L572 VanDerWaalsContact CD-O 3.22Å; R435-L572 WeakPolarHBondContact CD-O 3.05Å
436V76.6Confident57.9Low25 Ų2571.5 Ų71.515%0.15240%0.402CS..EExtended strand (participates in β ladder)trans-97.3124.6175.3-175.10000107.2E350 I354 V404 F434E350-V436 HydrophobicContact CB-CG1 4.45Å; E350-V436 HydrophobicContact CG-CG1 4.1Å; I354-V436 HydrophobicContact CD1-CG2 3.76Å; I354-V436 HydrophobicContact CG1-CG2 4.34Å; V404-V436 HydrophobicContact CB-CB 3.96Å; V404-V436 HydrophobicContact CB-CG2 4.4Å; V404-V436 HydrophobicContact CG1-CB 3.84Å; V404-V436 HydrophobicContact CG1-CG2 3.73Å; V404-V436 PolarHBondContact O-N 3.38Å; F434-V436 HydrophobicContact CD2-CG2 4.29Å; F434-V436 HydrophobicContact CE2-CG2 4.29Å
437S63.6Low55.1Low37 Ų3780.3 Ų80.326%0.25944%0.443SS..  trans-107.9134.5-177.7-520000109.4L439S437-L439 PolarHBondContact O-N 2.66Å
438E42.6Very low52.6Low154 Ų15490.9 Ų90.972%0.7248%0.477SS*.G310 helixtrans-619.4-177.4-73.5-166.2144.200116.1T440 L441E438-T440 PolarHBondContact O-N 2.95Å; E438-L441 HydrophobicContact CB-CD1 4.31Å; E438-L441 HydrophobicContact CG-CD1 4.06Å; E438-L441 PolarHBondContact O-N 3.4Å; E438-L441 VanDerWaalsContact O-N 3.12Å
439L37.8Very low50.4Low92 Ų9294.4 Ų94.448%0.48250%0.499SS..G310 helixtrans-63.7-3.9178.4-59.2169000113.4S437 M467S437-L439 PolarHBondContact O-N 2.66Å; L439-M467 HydrophobicContact CB-CE 4.22Å; L439-M467 HydrophobicContact CB-SD 3.75Å; L439-M467 HydrophobicContact CD1-SD 4.35Å; L439-M467 HydrophobicContact CD2-CB 3.16Å; L439-M467 HydrophobicContact CD2-CE 3.74Å; L439-M467 HydrophobicContact CD2-CG 3.29Å; L439-M467 HydrophobicContact CD2-SD 3.15Å; L439-M467 WeakPolarHBondContact CD2-SD 3.33Å; L439-M467 HydrophobicContact CG-CG 4.49Å; L439-M467 HydrophobicContact CG-SD 3.91Å
440T31.1Very low48.7Very low46 Ų46101.8 Ų101.828%0.28253%0.534SS..G310 helixtrans-93.8-9.9-179.9-36.90000113.1K349 E438K349-T440 HydrophobicContact CD-CG2 3.84Å; K349-T440 VanDerWaalsContact CE-CG2 3.42Å; E438-T440 PolarHBondContact O-N 2.95Å
441L31.1Very low46.7Very low113 Ų113109.5 Ų109.559%0.59257%0.567SS**SBendtrans-10310.9-161-78.5167.3000118.7E438E438-L441 HydrophobicContact CB-CD1 4.31Å; E438-L441 HydrophobicContact CG-CD1 4.06Å; E438-L441 PolarHBondContact O-N 3.4Å; E438-L441 VanDerWaalsContact O-N 3.12Å
442S27Very low44.4Very low104 Ų104116.2 Ų116.273%0.72760%0.602SS**  trans-134.62317661.80000116.3G444S442-G444 VanDerWaalsContact C-N 3.25Å; S442-G444 PolarHBondContact O-N 3.33Å; S442-G444 VanDerWaalsContact O-N 3.13Å
443C28.4Very low41.8Very low138 Ų138121.8 Ų121.893%0.93263%0.634SS**SBendtrans-86.268.5165.1-157.40000110.4
444G30.8Very low39.3Very low59 Ų59127.6 Ų127.661%0.60866%0.663SS**SBendtrans155.3108.6172.200000113.8S442S442-G444 VanDerWaalsContact C-N 3.25Å; S442-G444 PolarHBondContact O-N 3.33Å; S442-G444 VanDerWaalsContact O-N 3.13Å
445L29.4Very low36.7Very low175 Ų175134.3 Ų134.392%0.91670%0.695SS**SBendtrans77.9107.4163.4-60.4157.4000117.7
446E29.2Very low34.4Very low196 Ų196136.1 Ų136.192%0.91671%0.707SS**  trans134.274.5139.5-70.7-166.9168.900114.8
447E28.2Very low32Very low199 Ų199142.7 Ų142.793%0.9374%0.74SS**  trans-116.641.1170.1-147.4-176-161.900112
448R27.3Very low30.8Very low243 Ų243146.5 Ų146.592%0.91776%0.764SS**SBendtrans-125.8-0.6-176.8-85.3-171.8178.2177.61.1117.7
449T27.6Very low29.9Very low128 Ų128146.8 Ų146.879%0.78577%0.77SS**SBendtrans-146.686.1-178.4-44.90000111.4
450L28.9Very low29.3Very low171 Ų171147.9 Ų147.990%0.89578%0.782SS**  trans172.452.1150.9-91.2149.6000110.6
451K30Very low29.4Very low200 Ų200153 Ų15387%0.8781%0.808SS**  trans-111.391.7149-72.9-177.2-177.9175.30105.1
452N29.6Very low29Very low143 Ų143153.1 Ų153.177%0.76582%0.816SS**  trans172.297.7155.2-83.8-16.4000109
453N26.8Very low29Very low154 Ų154156.5 Ų156.582%0.82483%0.825SS**  trans155.6102.2131-75.4-33.6000113.5
454L29.1Very low28.8Very low144 Ų144158 Ų15875%0.75482%0.815SS**  trans26119.5144.5-76.3137.8000123.4
455Q30.4Very low28.3Very low153 Ų153160.4 Ų160.472%0.71582%0.82SS**  87.5114.8108.8-142.816737.800122.5
456K36.6Very low28.3Very low184 Ų184161.4 Ų161.480%0.882%0.82SS**  trans54.9103.8145.7-73.8-179.4176.1179.60120.7
457L25.7Very low28.1Very low164 Ų164157.4 Ų157.486%0.85980%0.803SS**  trans-156.9147.4134.4-117.6112000108.6
458P39.4Very low27.9Very low117 Ų117154.3 Ų154.376%0.7679%0.788SS**  trans-97116.4-173.433.9-25.5000112
459L23.7Very low27.9Very low159 Ų159150.6 Ų150.683%0.83277%0.774SS**  trans-160.9161.8174.6-92.7176.8000109.8
460P24.4Very low27.8Very low115 Ų115151.3 Ų151.375%0.74776%0.763SS**  -67.2162.5-119.228-8.5000115.4P462P460-P462 WeakPolarHBondContact O-CD 3.49Å; P460-P462 VanDerWaalsContact O-N 3.12Å
461D34.1Very low27.3Very low155 Ų155151 Ų15183%0.82976%0.757SS**  trans-43.5116.7179.5-83.1-37.6000112L463D461-L463 PolarHBondContact O-N 2.67Å; D461-L463 VanDerWaalsContact O-N 3.13Å
462P22.8Very low27.1Very low115 Ų115146.9 Ų146.975%0.74774%0.737SS**  trans-71.1110.2171.13.39.5000107.8P460 K464P460-P462 WeakPolarHBondContact O-CD 3.49Å; P460-P462 VanDerWaalsContact O-N 3.12Å; P462-K464 PolarHBondContact O-N 3.13Å; P462-K464 VanDerWaalsContact O-N 3.09Å
463L27.6Very low26.6Very low175 Ų175146 Ų14692%0.91674%0.736SS**  trans-50.7115.9165.4-88112.9000108.6D461D461-L463 PolarHBondContact O-N 2.67Å; D461-L463 VanDerWaalsContact O-N 3.13Å
464K22.4Very low26.5Very low170 Ų170143.6 Ų143.674%0.73973%0.726SS**  trans-71.1145.8-177.4-71.4179.6176.5-177.40110.4P462 E466P462-K464 PolarHBondContact O-N 3.13Å; P462-K464 VanDerWaalsContact O-N 3.09Å; K464-E466 PolarHBondContact O-N 3.32Å
465P21.9Very low26.2Very low109 Ų109142.7 Ų142.771%0.70872%0.721SS**  trans-67.9122.9178.427.9-32.8000110.6M467P465-M467 PolarHBondContact O-N 3.16Å
466E27.9Very low26Very low195 Ų195146.1 Ų146.191%0.91173%0.727SS**SBendtrans-81.865.3172.6-81.1-167.8154.600111.4K464K464-E466 PolarHBondContact O-N 3.32Å
467M24.9Very low25.5Very low112 Ų112142.5 Ų142.555%0.55271%0.713SS**  trans-135.874.4140.9-159169.541.300109.7L439 P465L439-M467 HydrophobicContact CB-CE 4.22Å; L439-M467 HydrophobicContact CB-SD 3.75Å; L439-M467 HydrophobicContact CD1-SD 4.35Å; L439-M467 HydrophobicContact CD2-CB 3.16Å; L439-M467 HydrophobicContact CD2-CE 3.74Å; L439-M467 HydrophobicContact CD2-CG 3.29Å; L439-M467 HydrophobicContact CD2-SD 3.15Å; L439-M467 WeakPolarHBondContact CD2-SD 3.33Å; L439-M467 HydrophobicContact CG-CG 4.49Å; L439-M467 HydrophobicContact CG-SD 3.91Å; P465-M467 PolarHBondContact O-N 3.16Å
468E24.1Very low25.7Very low134 Ų134139.8 Ų139.863%0.62671%0.706SS**  trans-92.5105.2158.3-76-172.8175.300108.4Y470E468-Y470 HydrophobicContact CB-CD2 4.33Å; E468-Y470 PolarHBondContact O-N 2.78Å
469R29.3Very low25.2Very low165 Ų165141.1 Ų141.162%0.62370%0.702SS**  trans-63.868.3150.7-174.1-157.8-97.3-165.1-6.4108.5
470Y23.6Very low25.8Very low143 Ų143140.5 Ų140.556%0.56170%0.699SS**  trans-152.1147.4176.1-72.6-68.2000116.3E468E468-Y470 HydrophobicContact CB-CD2 4.33Å; E468-Y470 PolarHBondContact O-N 2.78Å
471E20.2Very low26.2Very low164 Ų164139 Ų13977%0.76670%0.696SS**  trans56.9111.5140.4-71.7-174.4148.700119.8V473E471-V473 PolarHBondContact O-N 3.37Å
472W24Very low26.1Very low115 Ų115136.5 Ų136.544%0.43669%0.691SS.*  trans-6.694.7140.8-62.2100.2000115.2D185 N188 H195 V474D185-W472 WeakPolarHBondContact OD1-CZ3 3.35Å; N188-W472 HydrophobicContact CB-CH2 3.62Å; N188-W472 HydrophobicContact CB-CZ2 3.72Å; N188-W472 HydrophobicContact CB-CZ3 4.18Å; N188-W472 VanDerWaalsContact ND2-CD2 3.34Å; N188-W472 VanDerWaalsContact ND2-CE3 3.32Å; N188-W472 WeakPolarHBondContact ND2-CZ3 3.43Å; H195-W472 AromaticContact CE1-CE2 3.98Å; H195-W472 AromaticContact CE1-CZ2 3.4Å; H195-W472 VanDerWaalsContact CE1-CZ2 3.4Å; H195-W472 WeakPolarHBondContact CE1-CZ2 3.44Å; H195-W472 AromaticContact CE1-NE1 3.97Å; H195-W472 AromaticContact NE2-CE2 3.35Å; H195-W472 VanDerWaalsContact NE2-CE2 3.35Å; H195-W472 AromaticContact NE2-CZ2 3.17Å; H195-W472 WeakPolarHBondContact NE2-CZ2 3.21Å; H195-W472 AromaticContact NE2-NE1 3.14Å; H195-W472 PolarHBondContact NE2-NE1 2.84Å; H195-W472 VanDerWaalsContact NE2-NE1 3.14Å; W472-V474 VanDerWaalsContact C-N 3.25Å; W472-V474 PolarHBondContact O-N 2.79Å
473V20.2Very low26.5Very low123 Ų123135.1 Ų135.175%0.74569%0.689SS**  trans-72.294.4148.8-177.60000106E471 I475E471-V473 PolarHBondContact O-N 3.37Å; V473-I475 HydrophobicContact CG1-CG1 3.92Å; V473-I475 PolarHBondContact O-N 3.22Å
474V24.3Very low26.7Very low104 Ų104133.8 Ų133.863%0.6368%0.681SS**  trans-63.197.6158.3176.70000105.6W472 R476W472-V474 VanDerWaalsContact C-N 3.25Å; W472-V474 PolarHBondContact O-N 2.79Å; V474-R476 HydrophobicContact CG1-CG 4.15Å; V474-R476 PolarHBondContact O-N 2.62Å
475I23.1Very low27Very low125 Ų125136.6 Ų136.664%0.64169%0.687SS**  trans-67.192.7164.7-58.6178.7000106.4V473 H477V473-I475 HydrophobicContact CG1-CG1 3.92Å; V473-I475 PolarHBondContact O-N 3.22Å; I475-H477 VanDerWaalsContact C-N 3.32Å; I475-H477 HydrophobicContact CG2-CB 3.99Å; I475-H477 PolarHBondContact O-N 2.87Å
476R27.1Very low27.3Very low225 Ų225137.1 Ų137.185%0.84969%0.69SS**  trans-76.793.7149.1-72.6-166-173.9-1703.9105.6V474 P478V474-R476 HydrophobicContact CG1-CG 4.15Å; V474-R476 PolarHBondContact O-N 2.62Å; R476-P478 VanDerWaalsContact O-CD 3.26Å; R476-P478 WeakPolarHBondContact O-CD 3.31Å
477H24.6Very low27.4Very low108 Ų108133 Ų13350%0.569%0.69SS.*  trans-77.1119.8166.3-128.6-82.1000107.9I475 E479I475-H477 VanDerWaalsContact C-N 3.32Å; I475-H477 HydrophobicContact CG2-CB 3.99Å; I475-H477 PolarHBondContact O-N 2.87Å; H477-E479 IonicContact CE1-OE2 2.72Å; H477-E479 PolarHBondContact CE1-OE2 3.16Å; H477-E479 VanDerWaalsContact CE1-OE2 3.28Å; H477-E479 IonicContact ND1-OE2 3.76Å; H477-E479 PolarHBondContact ND1-OE2 3.04Å; H477-E479 PolarHBondContact O-N 3.09Å
478P29.7Very low27.6Very low108 Ų108130.9 Ų130.970%0.70170%0.696SS**G310 helixtrans-73.47.2175-13.931.2000113.9R476R476-P478 VanDerWaalsContact O-CD 3.26Å; R476-P478 WeakPolarHBondContact O-CD 3.31Å
479E29.9Very low28.3Very low145 Ų145130 Ų13068%0.67870%0.702SS**G310 helixtrans-971.4-174.7-64.5-177.6162.900113.9H477H477-E479 IonicContact CE1-OE2 2.72Å; H477-E479 PolarHBondContact CE1-OE2 3.16Å; H477-E479 VanDerWaalsContact CE1-OE2 3.28Å; H477-E479 IonicContact ND1-OE2 3.76Å; H477-E479 PolarHBondContact ND1-OE2 3.04Å; H477-E479 PolarHBondContact O-N 3.09Å
480L36.6Very low28.3Very low146 Ų146129.5 Ų129.576%0.76471%0.712SS**G310 helixtrans-92.66167.6-91.9142000113.4
481A32.9Very low28.6Very low84 Ų84130.2 Ų130.269%0.69473%0.725SS**SBendtrans-88.1-7.9178.200000114.6
482S31.7Very low29.5Very low102 Ų102128 Ų12871%0.71373%0.725SS**SBendtrans-112.1-0.3-176.960.70000115.4
483A30.6Very low29.8Very low86 Ų86127.3 Ų127.371%0.71174%0.744SS**  trans-96.223.4177.800000114.1
484I31.2Very low30.2Very low146 Ų146126.2 Ų126.275%0.74975%0.748SS**  trans-99.192.8165.8-56.5175.2000107.3
485R29.7Very low30.4Very low229 Ų229129.3 Ų129.386%0.86476%0.761SS**  trans-106.5125.1154.1-71.5-170.4-173.9-170.22.9107.8
486P28.8Very low31.3Very low120 Ų120128.1 Ų128.178%0.77976%0.761SS**  trans-67137.3172.226.7-29.3000109.3G488P486-G488 PolarHBondContact O-N 2.71Å
487A29.1Very low31.2Very low110 Ų110123.2 Ų123.291%0.90976%0.762SS**  trans-59.9128.8173.400000110.4
488G29Very low31.4Very low66 Ų66123 Ų12368%0.6878%0.779SS**  trans-112.9149.9159.600000109.1P486P486-G488 PolarHBondContact O-N 2.71Å
489P39.3Very low31.2Very low115 Ų115125 Ų12575%0.74778%0.784SS**  trans-80.5151.2-174.435-32.1000111
490D29.2Very low31.2Very low155 Ų155127.3 Ų127.383%0.82979%0.794SS**  trans145.197151.4-69.4-17.6000111.3
491D29.2Very low30.7Very low158 Ų158125.6 Ų125.685%0.84579%0.794SS**  trans28.8166.9135.6-84.4-18.3000123.4
492P39.6Very low30.3Very low118 Ų118129.8 Ų129.877%0.76680%0.804SS**  cis-138.1-174.6-27.234.8-13.6000114.7
493A29.8Very low30.2Very low100 Ų100130.5 Ų130.583%0.82681%0.806SS**  trans-36.7152.917800000121.5
494A28.6Very low30.3Very low101 Ų101135.7 Ų135.784%0.83582%0.816SS**  trans-173.7113.913300000114.4
495D29.4Very low30.2Very low168 Ų168134.7 Ų134.790%0.89882%0.819SS**  trans28.6156.9143.7-100.31.6000128.1
496P41Very low30.2Very low100 Ų100131.8 Ų131.865%0.64982%0.821SS**  trans-104.9159.8-171.741.9-33.3000114
497S25.8Very low30.3Very low123 Ų123135.5 Ų135.586%0.8683%0.825SS**  trans163.8135.6142.844.40000111
498A28.2Very low30.3Very low104 Ų104135.8 Ų135.886%0.8682%0.818SS**  167.6121.7122.200000110.6
499D26Very low30.4Very low149 Ų149139 Ų13980%0.79783%0.827SS**  trans-73.4149.9174-162.46.7000111.1
500Q28.7Very low30.1Very low193 Ų193137.3 Ų137.390%0.90283%0.83SS**  trans-171.2118.7146.7-106.5167.344.200113.4
501S26.8Very low30Very low110 Ų110139.3 Ų139.377%0.76983%0.834SS**  trans-68.5154.7174.452.20000115.3
502L24.1Very low29.9Very low172 Ų172140 Ų14090%0.90184%0.837SS**  trans-131.6152.7165.4-82.4162.4000111.8
503P29.8Very low29.3Very low117 Ų117138 Ų13876%0.7683%0.825SS**  trans-100.3157.3-161.325.9-9.6000115.2
504Q32.1Very low29.3Very low195 Ų195137.9 Ų137.991%0.91182%0.816SS**  trans-85.8155.9171.2-70.4-174.9-21.800112.4
505P30.6Very low29.3Very low126 Ų126141.9 Ų141.982%0.81882%0.815SS**  trans-127.1155.6150.333.2-18.1000114.9
506D28.5Very low29.2Very low168 Ų168141.9 Ų141.990%0.89881%0.814SS**  trans-68.5154.5-169.2-63.4-62.3000117
507K31.5Very low28.6Very low197 Ų197141.1 Ų141.186%0.85782%0.817SS**  trans-107.5138.8178.6-104.9-177.7176.3-177.20112.2
508P28.2Very low28.7Very low117 Ų117140.3 Ų140.376%0.7681%0.807SS**  trans-88.2159.6157.832.3-27.3000112.3
509P32.5Very low28.9Very low134 Ų134143.2 Ų143.287%0.8780%0.802SS**SBendtrans-95.1129.2-166.434.5-27.7000111.9
510G33.2Very low29.3Very low79 Ų79140.9 Ų140.981%0.81479%0.786SS**  trans159.56.6171.700000119.2
511E26.2Very low29.6Very low196 Ų196137.8 Ų137.892%0.91677%0.77SS**  trans-114.4135177-79.8-177.7164.600112.6
512L27.1Very low29.9Very low174 Ų174141 Ų14191%0.91178%0.778SS**  trans-54.3154.5179.2-67.8155.7000112.1
513S28.2Very low30.5Very low74 Ų74134.9 Ų134.952%0.51775%0.746SS.*  trans-62.8142.4-168.467.40000112.9F515S513-F515 PolarHBondContact O-N 2.76Å
514P29.1Very low30.9Very low99 Ų99135.8 Ų135.864%0.64375%0.745SS**G310 helixtrans-65.2-1.9179.1-16.228.9000114.5
515F28.5Very low31.4Very low185 Ų185131.7 Ų131.781%0.81174%0.738SS**G310 helixtrans-88.1-2.7-169-91.3-89.9000114.5S513S513-F515 PolarHBondContact O-N 2.76Å
516L27.7Very low32Very low167 Ų167134.9 Ų134.987%0.87474%0.739SS**G310 helixtrans-1040.7175.8-66.2174.2000113.9
517A27.4Very low33Very low85 Ų85129 Ų12970%0.70271%0.707SS**SBendtrans-99.6-2.6-175.700000115.2
518T28.8Very low34Very low106 Ų106122.9 Ų122.965%0.6569%0.687SS**  trans-114.952.3-161.1-360000114.5
519H31.8Very low35.7Very low164 Ų164121.2 Ų121.276%0.75968%0.678SS**SBendtrans-127.114.9166.7-99.752.4000114.6
520H34.3Very low38Very low100 Ų100116.8 Ų116.846%0.46365%0.646SS.*SBendtrans-127.499.5179.8-80.6-140.4000109.3E430E430-H520 VanDerWaalsContact CG-CE1 3.48Å; E430-H520 WeakPolarHBondContact CG-CE1 3.26Å; E430-H520 IonicContact OE1-CE1 2.74Å
521F34.3Very low40.4Very low129 Ų129113.7 Ų113.757%0.56661%0.61SS**  trans56.5135.9172.5-58.9-88.4000114.8G429 L523G429-F521 VanDerWaalsContact O-CD2 3.22Å; G429-F521 WeakPolarHBondContact O-CD2 3.4Å; G429-F521 WeakPolarHBondContact O-CE2 3.33Å; F521-L523 HydrophobicContact CB-CD1 4.12Å; F521-L523 HydrophobicContact CB-CD2 4.21Å; F521-L523 HydrophobicContact CB-CG 3.78Å; F521-L523 PolarHBondContact O-N 3.23Å
522N33.4Very low43.6Very low176 Ų176104.4 Ų104.494%0.94157%0.567SS**  trans-7673.6178.6-141.4-5.2000109.2
523L37.8Very low46.6Very low44 Ų4496.1 Ų96.123%0.2352%0.523CS..  trans-94.7126.5-177.9-61.3-179.8000109.5F521 S525 T528 F531 T566F521-L523 HydrophobicContact CB-CD1 4.12Å; F521-L523 HydrophobicContact CB-CD2 4.21Å; F521-L523 HydrophobicContact CB-CG 3.78Å; F521-L523 PolarHBondContact O-N 3.23Å; L523-S525 PolarHBondContact O-N 3.11Å; L523-T528 HydrophobicContact CB-CG2 4.38Å; L523-F531 HydrophobicContact CD1-CE1 3.75Å; L523-F531 HydrophobicContact CD1-CZ 4.09Å; L523-T566 WeakPolarHBondContact CD2-O 3.32Å
524N37.8Very low49.6Very low136 Ų13692.8 Ų92.873%0.72750%0.501SS*.  trans-57.3128.3177.9-95.3-23000111.1K526 N527 T528N524-K526 PolarHBondContact O-N 2.96Å; N524-N527 PolarHBondContact O-N 3.41Å; N524-N527 VanDerWaalsContact O-N 3.08Å; N524-T528 WeakPolarHBondContact O-CG2 3.44Å
525S41.6Very low52.5Low110 Ų11089.5 Ų89.577%0.76948%0.48SS*.THydrogen-bonded Turntrans-57.7-1.4-174.959.80000117.2L523L523-S525 PolarHBondContact O-N 3.11Å
526K44.7Very low55.3Low192 Ų19288.3 Ų88.384%0.83548%0.475SS*.THydrogen-bonded Turntrans-96.5-17176-70.3-173.4177.9-177.20114.1N524N524-K526 PolarHBondContact O-N 2.96Å
527N49.8Very low58.3Low44 Ų4486.3 Ų86.324%0.23547%0.465CS..SBendtrans-120.79.7-173-67.1-8.9000113.8N524 S529 M530 A565N524-N527 PolarHBondContact O-N 3.41Å; N524-N527 VanDerWaalsContact O-N 3.08Å; N527-S529 PolarHBondContact O-N 3.02Å; N527-M530 HydrophobicContact CB-CE 3.99Å; N527-A565 VanDerWaalsContact ND2-CB 3.35Å; N527-A565 WeakPolarHBondContact ND2-CB 3.22Å
528T52.1Low61.4Low70 Ų7082.8 Ų82.843%0.42944%0.436SS..THydrogen-bonded Turntrans-71.217-162.952.40000116.8L523 N524 F531L523-T528 HydrophobicContact CB-CG2 4.38Å; N524-T528 WeakPolarHBondContact O-CG2 3.44Å; T528-F531 VanDerWaalsContact O-CE2 3.26Å; T528-F531 WeakPolarHBondContact O-CE2 3.41Å
529S63Low64.6Low81 Ų8177.8 Ų77.857%0.56641%0.405SS*.THydrogen-bonded Turntrans-141.113.5-176.968.90000114.3Y425 N527Y425-S529 WeakPolarHBondContact CB-O 3.22Å; N527-S529 PolarHBondContact O-N 3.02Å
530M82.2Confident67.6Low42 Ų4270.5 Ų70.521%0.20737%0.372CS..  trans-103.951.1-178.1-69.1-176.4-80.200112.6Y425 N527 G542 G543Y425-M530 VanDerWaalsContact CD1-C 3.49Å; Y425-M530 VanDerWaalsContact CD1-CA 3.42Å; Y425-M530 HydrophobicContact CD1-CB 3.7Å; Y425-M530 HydrophobicContact CD1-CG 4.11Å; Y425-M530 HydrophobicContact CD2-CB 4.41Å; Y425-M530 HydrophobicContact CD2-CG 3.89Å; Y425-M530 HydrophobicContact CE1-CB 3.89Å; Y425-M530 HydrophobicContact CE1-CG 4.32Å; Y425-M530 HydrophobicContact CE2-CG 4.14Å; Y425-M530 HydrophobicContact CE2-SD 4.32Å; Y425-M530 HydrophobicContact CG-CB 3.97Å; Y425-M530 HydrophobicContact CG-CG 3.87Å; N527-M530 HydrophobicContact CB-CE 3.99Å; M530-G542 CarbonylContact O-C 3.59Å; M530-G542 WeakPolarHBondContact O-CA 3.45Å; M530-G543 PolarHBondContact O-N 2.96Å
531F83.3Confident70.3Confident14 Ų1465.8 Ų65.86%0.06135%0.35CS..SBendtrans-80.3-49.9-172.8-60.9-69.4000113.8F426 G427 T428 C431 L523 T528 G542 T566 F567F426-F531 WeakPolarHBondContact O-CB 3.41Å; G427-F531 WeakPolarHBondContact O-CD2 3.25Å; T428-F531 WeakPolarHBondContact O-CD1 3.36Å; T428-F531 VanDerWaalsContact O-CG 3.31Å; T428-F531 WeakPolarHBondContact O-CG 3.41Å; C431-F531 HydrophobicContact CB-CB 4.13Å; L523-F531 HydrophobicContact CD1-CE1 3.75Å; L523-F531 HydrophobicContact CD1-CZ 4.09Å; T528-F531 VanDerWaalsContact O-CE2 3.26Å; T528-F531 WeakPolarHBondContact O-CE2 3.41Å; F531-G542 PolarHBondContact O-N 3.34Å; F531-T566 HydrophobicContact CD1-CG2 3.57Å; F531-T566 HydrophobicContact CE1-CG2 3.77Å; F531-T566 HydrophobicContact CG-CG2 4.41Å; F531-F567 AromaticContact CD1-CE1 3.93Å; F531-F567 HydrophobicContact CD1-CE1 3.93Å; F531-F567 HydrophobicContact CD1-CZ 4.34Å
532M92Very high72.6Confident0 Ų059.6 Ų59.60%032%0.323CS..EExtended strand (participates in β ladder)trans-146.7150.6174.560.4-173-63.300110.4L409 W413 Y425 F426 I540L409-M532 HydrophobicContact CB-CE 3.83Å; L409-M532 HydrophobicContact CB-SD 3.92Å; L409-M532 HydrophobicContact CD1-CE 4.04Å; L409-M532 HydrophobicContact CD2-CB 4.2Å; L409-M532 HydrophobicContact CD2-CE 4.18Å; L409-M532 HydrophobicContact CD2-SD 4.2Å; L409-M532 HydrophobicContact CG-CE 4.24Å; W413-M532 HydrophobicContact CD2-CE 4.09Å; W413-M532 HydrophobicContact CE3-CE 3.95Å; W413-M532 HydrophobicContact CH2-CE 3.82Å; W413-M532 HydrophobicContact CZ2-CE 3.97Å; W413-M532 HydrophobicContact CZ3-CE 3.8Å; Y425-M532 CarbonylContact C-O 2.93Å; Y425-M532 VanDerWaalsContact CA-O 3.25Å; Y425-M532 WeakPolarHBondContact CA-O 3.49Å; F426-M532 HydrophobicContact CD2-CE 4.34Å; F426-M532 HydrophobicContact CD2-CG 3.68Å; F426-M532 HydrophobicContact CD2-SD 3.95Å; F426-M532 HydrophobicContact CE2-CE 3.44Å; F426-M532 VanDerWaalsContact CE2-CE 3.44Å; F426-M532 HydrophobicContact CE2-CG 3.64Å; F426-M532 HydrophobicContact CE2-SD 3.64Å; F426-M532 HydrophobicContact CG-CG 4.19Å; F426-M532 HydrophobicContact CZ-CE 3.82Å; F426-M532 HydrophobicContact CZ-CG 4.1Å; F426-M532 HydrophobicContact CZ-SD 4.43Å; F426-M532 PolarHBondContact N-O 2.85Å; F426-M532 VanDerWaalsContact O-CG 3.32Å; F426-M532 WeakPolarHBondContact O-CG 3.34Å; F426-M532 PolarHBondContact O-N 2.97Å; F426-M532 VanDerWaalsContact O-O 3.13Å; M532-I540 CarbonylContact C-O 3.49Å; M532-I540 VanDerWaalsContact CA-O 3.29Å; M532-I540 WeakPolarHBondContact CA-O 3.25Å
533A91Very high74.6Confident0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-145.7151.1172.600000109.4L423 Y425 I540L423-A533 HydrophobicContact CD1-CB 3.8Å; L423-A533 HydrophobicContact CG-CB 4.16Å; Y425-A533 HydrophobicContact CD1-CB 3.74Å; Y425-A533 HydrophobicContact CD2-CB 4.35Å; Y425-A533 HydrophobicContact CE1-CB 3.95Å; Y425-A533 HydrophobicContact CG-CB 3.97Å; A533-I540 HydrophobicContact CB-CB 4.3Å; A533-I540 PolarHBondContact N-O 3.15Å; A533-I540 PolarHBondContact O-N 3.21Å
534G90.9Very high75.9Confident5 Ų549.9 Ų49.95%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-138.5144.8176.500000110.4Y384Y384-G534 WeakPolarHBondContact OH-CA 3.32Å
535S90.2Very high77.2Confident30 Ų3046.4 Ų46.421%0.2127%0.271CS..  trans-138.7-176172.6660000110L380 Y384 D537 S538L380-S535 WeakPolarHBondContact CD2-O 3.37Å; Y384-S535 VanDerWaalsContact CE2-O 3.25Å; Y384-S535 WeakPolarHBondContact CE2-O 3.15Å; Y384-S535 PolarHBondContact OH-N 3.11Å; Y384-S535 PolarHBondContact OH-O 3.32Å; S535-D537 PolarHBondContact O-N 2.99Å; S535-D537 PolarHBondContact OG-N 2.79Å; S535-S538 PolarHBondContact N-O 2.79Å; S535-S538 PolarHBondContact OG-N 2.91Å; S535-S538 VanDerWaalsContact OG-N 3.13Å; S535-S538 PolarHBondContact OG-O 2.78Å; S535-S538 PolarHBondContact OG-OG 3.45Å
536F87.3Confident78.6Confident160 Ų16049.4 Ų49.470%0.70228%0.278SS*.SBendtrans-69.8-20.1170.4-62.5-74.3000112.8
537D89.9Confident80.5Confident124 Ų12441.7 Ų41.766%0.66325%0.248SC*.SBendtrans-103.4-16.5-172.2-59.2-37.6000113.3S535 A554S535-D537 PolarHBondContact O-N 2.99Å; S535-D537 PolarHBondContact OG-N 2.79Å; D537-A554 PolarHBondContact O-N 3.28Å
538S93.3Very high82.4Confident12 Ų1241.3 Ų41.38%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-168.5160.3-174.451.80000115.2S535 I552S535-S538 PolarHBondContact N-O 2.79Å; S535-S538 PolarHBondContact OG-N 2.91Å; S535-S538 VanDerWaalsContact OG-N 3.13Å; S535-S538 PolarHBondContact OG-O 2.78Å; S535-S538 PolarHBondContact OG-OG 3.45Å; S538-I552 CarbonylContact C-O 3.56Å; S538-I552 WeakPolarHBondContact CA-O 2.98Å; S538-I552 VanDerWaalsContact CB-O 3.25Å; S538-I552 WeakPolarHBondContact CB-O 3.27Å
539I95.2Very high84Confident1 Ų138 Ų381%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-106.6136.7161.5-66.2168.9000108.8L380 F383 W413 V541 F551 I552 L556L380-I539 HydrophobicContact CD1-CD1 3.44Å; L380-I539 VanDerWaalsContact CD1-CD1 3.44Å; L380-I539 HydrophobicContact CD1-CG1 3.5Å; L380-I539 HydrophobicContact CD2-CG1 4.48Å; F383-I539 HydrophobicContact CD1-CD1 3.97Å; F383-I539 HydrophobicContact CE1-CD1 3.69Å; F383-I539 HydrophobicContact CE2-CD1 4.44Å; F383-I539 HydrophobicContact CG-CD1 4.5Å; F383-I539 HydrophobicContact CZ-CD1 3.96Å; W413-I539 HydrophobicContact CH2-CD1 4.24Å; W413-I539 HydrophobicContact CH2-CG1 4.2Å; W413-I539 HydrophobicContact CH2-CG2 3.62Å; W413-I539 HydrophobicContact CZ3-CG1 4.28Å; W413-I539 HydrophobicContact CZ3-CG2 4.14Å; I539-V541 HydrophobicContact CG2-CG2 4.23Å; I539-F551 WeakPolarHBondContact O-CA 3.38Å; I539-I552 HydrophobicContact CB-CB 4.32Å; I539-I552 PolarHBondContact N-O 2.9Å; I539-I552 PolarHBondContact O-N 3.04Å; I539-L556 HydrophobicContact CD1-CD2 4.43Å
540I94.6Very high85.5Confident11 Ų1134.1 Ų34.16%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-128.2130.2175.5-50.9-175.1000109.4L423 Y425 M532 A533 N548 F551L423-I540 HydrophobicContact CD1-CD1 4.39Å; L423-I540 HydrophobicContact CD2-CD1 3.78Å; Y425-I540 HydrophobicContact CE1-CG2 4.08Å; M532-I540 CarbonylContact C-O 3.49Å; M532-I540 VanDerWaalsContact CA-O 3.29Å; M532-I540 WeakPolarHBondContact CA-O 3.25Å; A533-I540 HydrophobicContact CB-CB 4.3Å; A533-I540 PolarHBondContact N-O 3.15Å; A533-I540 PolarHBondContact O-N 3.21Å; I540-N548 HydrophobicContact CG2-CB 4.03Å; I540-F551 HydrophobicContact CD1-CD2 4.4Å; I540-F551 HydrophobicContact CG1-CD2 4Å; I540-F551 HydrophobicContact CG1-CE2 4.48Å
541V92.8Very high86.1Confident0 Ų035.2 Ų35.20%020%0.203CC..EExtended strand (participates in β ladder)trans-123.7122.6172.4-167.90000108.2A407 L409 V433 I539 A549 L550 F567A407-V541 HydrophobicContact CB-CB 4.49Å; A407-V541 HydrophobicContact CB-CG1 3.88Å; A407-V541 HydrophobicContact CB-CG2 4.26Å; L409-V541 HydrophobicContact CD2-CB 4.41Å; L409-V541 HydrophobicContact CD2-CG1 3.66Å; L409-V541 HydrophobicContact CD2-CG2 3.84Å; V433-V541 HydrophobicContact CG1-CG1 3.92Å; I539-V541 HydrophobicContact CG2-CG2 4.23Å; V541-A549 VanDerWaalsContact O-CB 3.31Å; V541-A549 WeakPolarHBondContact O-CB 3.3Å; V541-A549 PolarHBondContact O-N 3.06Å; V541-L550 HydrophobicContact CB-CB 4.14Å; V541-L550 HydrophobicContact CG2-CB 4.48Å; V541-L550 HydrophobicContact CG2-CD2 4.36Å; V541-L550 PolarHBondContact N-O 3.32Å; V541-L550 PolarHBondContact O-N 2.89Å; V541-F567 HydrophobicContact CG1-CE2 3.98Å; V541-F567 HydrophobicContact CG1-CZ 4.28Å
542G81.6Confident86.8Confident0 Ų034.6 Ų34.60%020%0.2CC..SBendtrans68.4109.3-177.200000112.8M530 F531 N548 A549 C564M530-G542 CarbonylContact O-C 3.59Å; M530-G542 WeakPolarHBondContact O-CA 3.45Å; F531-G542 PolarHBondContact O-N 3.34Å; G542-N548 CarbonylContact O-C 3.51Å; G542-N548 WeakPolarHBondContact O-CA 3.33Å; G542-N548 WeakPolarHBondContact O-CB 3.18Å; G542-A549 PolarHBondContact O-N 2.84Å; G542-C564 PolarHBondContact O-SG 3.47Å
543G76.1Confident87Confident0 Ų035.6 Ų35.60%021%0.205CC..  trans-111.9-173.6173.400000113.4M530 C564 T566M530-G543 PolarHBondContact O-N 2.96Å; G543-C564 PolarHBondContact O-SG 3.19Å; G543-T566 VanDerWaalsContact O-CB 3.26Å; G543-T566 WeakPolarHBondContact O-CB 3.4Å; G543-T566 PolarHBondContact O-OG1 3.3Å
544G64.3Low87.1Confident15 Ų1536.7 Ų36.716%0.15521%0.214CC..SBendtrans85.2131.8175.300000114.4A565G544-A565 VanDerWaalsContact O-CB 3.28Å; G544-A565 WeakPolarHBondContact O-CB 3.3Å; G544-A565 PolarHBondContact O-N 2.81Å
545G65.3Low87.3Confident64 Ų6441.5 Ų41.566%0.6624%0.235SC*.SBendtrans94.8-145.2-169.500000111.7
546D70.5Confident87.6Confident173 Ų17340.1 Ų40.193%0.92523%0.226SC*.SBendtrans-90.9-16.2-172.5-58.2-37.1000114.2
547S84.6Confident87.9Confident29 Ų2935 Ų3520%0.20321%0.206CC..SBendtrans-155.9175.6179.6-169.50000112.5H560S547-H560 PolarHBondContact OG-NE2 2.92Å; S547-H560 VanDerWaalsContact OG-NE2 3.13Å
548N89.4Confident88.2Confident36 Ų3633.9 Ų33.919%0.19320%0.196CC..  trans-97.2150.4176.3-57.5-37.1000110.9I540 G542 L550 G562I540-N548 HydrophobicContact CG2-CB 4.03Å; G542-N548 CarbonylContact O-C 3.51Å; G542-N548 WeakPolarHBondContact O-CA 3.33Å; G542-N548 WeakPolarHBondContact O-CB 3.18Å; N548-L550 VanDerWaalsContact C-N 3.31Å; N548-G562 PolarHBondContact O-N 3.34Å
549A86.1Confident88.4Confident0 Ų033.6 Ų33.60%020%0.195CC..SBendtrans-67.5-38.8177.300000110.9V433 V541 G542 T561 C564 F567 N569V433-A549 HydrophobicContact CG1-CB 3.95Å; V433-A549 HydrophobicContact CG2-CB 4.15Å; V541-A549 VanDerWaalsContact O-CB 3.31Å; V541-A549 WeakPolarHBondContact O-CB 3.3Å; V541-A549 PolarHBondContact O-N 3.06Å; G542-A549 PolarHBondContact O-N 2.84Å; A549-T561 WeakPolarHBondContact O-CB 3.45Å; A549-T561 PolarHBondContact O-OG1 2.69Å; A549-C564 HydrophobicContact CB-CB 3.67Å; A549-F567 HydrophobicContact CB-CD2 3.71Å; A549-F567 HydrophobicContact CB-CE2 4.18Å; A549-N569 WeakPolarHBondContact CB-OD1 3.26Å
550L94.5Very high88.3Confident1 Ų136.1 Ų36.11%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-149.9132.5173.1-179.865.3000109.9L395 I397 V541 N548 I552 H560 L572 F577L395-L550 HydrophobicContact CD2-CD2 4.21Å; I397-L550 HydrophobicContact CD1-CD1 4.05Å; I397-L550 HydrophobicContact CD1-CD2 3.79Å; I397-L550 HydrophobicContact CD1-CG 4.42Å; V541-L550 HydrophobicContact CB-CB 4.14Å; V541-L550 HydrophobicContact CG2-CB 4.48Å; V541-L550 HydrophobicContact CG2-CD2 4.36Å; V541-L550 PolarHBondContact N-O 3.32Å; V541-L550 PolarHBondContact O-N 2.89Å; N548-L550 VanDerWaalsContact C-N 3.31Å; L550-I552 HydrophobicContact CD1-CG1 4.46Å; L550-I552 HydrophobicContact CD2-CD1 4.4Å; L550-I552 HydrophobicContact CG-CD1 4.49Å; L550-I552 HydrophobicContact CG-CG1 4.34Å; L550-H560 CarbonylContact C-O 3.55Å; L550-H560 WeakPolarHBondContact CA-O 3.47Å; L550-L572 HydrophobicContact CB-CD1 4.41Å; L550-F577 HydrophobicContact CD1-CE1 4.35Å; L550-F577 HydrophobicContact CD1-CZ 3.72Å
551F96.1Very high88.2Confident65 Ų6535.6 Ų35.629%0.28520%0.204SC..EExtended strand (participates in β ladder)trans-127.8140.5173171-84.5000108.6I539 I540 G559 H560I539-F551 WeakPolarHBondContact O-CA 3.38Å; I540-F551 HydrophobicContact CD1-CD2 4.4Å; I540-F551 HydrophobicContact CG1-CD2 4Å; I540-F551 HydrophobicContact CG1-CE2 4.48Å; F551-G559 CarbonylContact O-C 3.6Å; F551-G559 WeakPolarHBondContact O-CA 3.38Å; F551-H560 HydrophobicContact CB-CB 4.21Å; F551-H560 HydrophobicContact CD1-CB 4.34Å; F551-H560 PolarHBondContact N-O 2.97Å; F551-H560 PolarHBondContact O-N 2.82Å
552I97.1Very high88Confident0 Ų035.7 Ų35.70%021%0.205CC..EExtended strand (participates in β ladder)trans-136.7136.9177.2-52.3171000108.9L395 I397 S538 I539 L550 L556 H558 I579 L582L395-I552 HydrophobicContact CD2-CD1 3.73Å; I397-I552 HydrophobicContact CD1-CD1 3.52Å; I397-I552 HydrophobicContact CD1-CG1 4.28Å; S538-I552 CarbonylContact C-O 3.56Å; S538-I552 WeakPolarHBondContact CA-O 2.98Å; S538-I552 VanDerWaalsContact CB-O 3.25Å; S538-I552 WeakPolarHBondContact CB-O 3.27Å; I539-I552 HydrophobicContact CB-CB 4.32Å; I539-I552 PolarHBondContact N-O 2.9Å; I539-I552 PolarHBondContact O-N 3.04Å; L550-I552 HydrophobicContact CD1-CG1 4.46Å; L550-I552 HydrophobicContact CD2-CD1 4.4Å; L550-I552 HydrophobicContact CG-CD1 4.49Å; L550-I552 HydrophobicContact CG-CG1 4.34Å; I552-L556 HydrophobicContact CG2-CD2 3.85Å; I552-H558 WeakPolarHBondContact CA-O 3.48Å; I552-I579 HydrophobicContact CG1-CD1 4.35Å; I552-I579 HydrophobicContact CG2-CD1 3.63Å; I552-L582 HydrophobicContact CD1-CD1 3.88Å
553D95.8Very high87.9Confident21 Ų2143.4 Ų43.411%0.11223%0.234CC..EExtended strand (participates in β ladder)trans-73169.6178.267.3-4000113.7E555 L556 N557 H558D553-E555 PolarHBondContact O-N 3.02Å; D553-L556 PolarHBondContact O-N 2.91Å; D553-L556 VanDerWaalsContact O-N 3.15Å; D553-L556 WeakPolarHBondContact OD1-CA 3.23Å; D553-L556 PolarHBondContact OD1-N 3.43Å; D553-N557 PolarHBondContact OD1-N 2.99Å; D553-H558 PolarHBondContact N-O 3.41Å; D553-H558 PolarHBondContact OD1-N 3.41Å; D553-H558 WeakPolarHBondContact OD2-CB 3.45Å; D553-H558 IonicContact OD2-CG 3.49Å; D553-H558 PolarHBondContact OD2-N 3.43Å; D553-H558 IonicContact OD2-ND1 2.87Å; D553-H558 PolarHBondContact OD2-ND1 2.86Å
554A94.1Very high88Confident23 Ų2343.4 Ų43.419%0.1924%0.235CC..THydrogen-bonded Turntrans-64-28.7179.900000112.9L380 D537 L556L380-A554 WeakPolarHBondContact CB-O 3.35Å; L380-A554 PolarHBondContact N-O 2.96Å; D537-A554 PolarHBondContact O-N 3.28Å; A554-L556 VanDerWaalsContact C-N 3.29Å
555E94.5Very high88.3Confident106 Ų10644.6 Ų44.650%0.49524%0.243SC..THydrogen-bonded Turntrans-83.8-0.2178.7-63.376.4-168.700112.8C378 D553 N557C378-E555 WeakPolarHBondContact CB-O 3.15Å; D553-E555 PolarHBondContact O-N 3.02Å; E555-N557 HydrophobicContact CB-CB 4.33Å; E555-N557 PolarHBondContact O-N 3.35Å; E555-N557 PolarHBondContact O-ND2 3.18Å; E555-N557 PolarHBondContact O-OD1 2.92Å
556L96.1Very high88.5Confident1 Ų141.6 Ų41.61%0.00521%0.212CC..SBendtrans50.429.2-178.3-52.1179.5000113.8F371 T373 C378 L380 F383 I539 I552 D553 A554 L582F371-L556 HydrophobicContact CE1-CD1 3.74Å; F371-L556 HydrophobicContact CZ-CD1 3.7Å; T373-L556 HydrophobicContact CG2-CB 4.17Å; T373-L556 HydrophobicContact CG2-CD1 4.04Å; C378-L556 HydrophobicContact CB-CB 4.22Å; L380-L556 HydrophobicContact CB-CD2 4.34Å; L380-L556 HydrophobicContact CD1-CD2 4.11Å; F383-L556 HydrophobicContact CB-CD1 4.18Å; I539-L556 HydrophobicContact CD1-CD2 4.43Å; I552-L556 HydrophobicContact CG2-CD2 3.85Å; D553-L556 PolarHBondContact O-N 2.91Å; D553-L556 VanDerWaalsContact O-N 3.15Å; D553-L556 WeakPolarHBondContact OD1-CA 3.23Å; D553-L556 PolarHBondContact OD1-N 3.43Å; A554-L556 VanDerWaalsContact C-N 3.29Å; L556-L582 HydrophobicContact CD2-CD1 4.34Å
557N94.9Very high88.5Confident53 Ų5335.3 Ų35.328%0.28318%0.176SC..SBendtrans-114.4-25.8-173.1-74.3-35.3000112C378 D553 E555 Q578 I579C378-N557 PolarHBondContact SG-OD1 3.45Å; C378-N557 VanDerWaalsContact SG-OD1 3.41Å; D553-N557 PolarHBondContact OD1-N 2.99Å; E555-N557 HydrophobicContact CB-CB 4.33Å; E555-N557 PolarHBondContact O-N 3.35Å; E555-N557 PolarHBondContact O-ND2 3.18Å; E555-N557 PolarHBondContact O-OD1 2.92Å; N557-Q578 WeakPolarHBondContact O-CA 3.25Å; N557-Q578 WeakPolarHBondContact O-CG 3.49Å; N557-I579 PolarHBondContact O-N 2.55Å
558H96.3Very high87.8Confident100 Ų10039.3 Ų39.346%0.46320%0.195SC..EExtended strand (participates in β ladder)trans-127142.5178.6-53.487.4000110.9I552 D553I552-H558 WeakPolarHBondContact CA-O 3.48Å; D553-H558 PolarHBondContact N-O 3.41Å; D553-H558 PolarHBondContact OD1-N 3.41Å; D553-H558 WeakPolarHBondContact OD2-CB 3.45Å; D553-H558 IonicContact OD2-CG 3.49Å; D553-H558 PolarHBondContact OD2-N 3.43Å; D553-H558 IonicContact OD2-ND1 2.87Å; D553-H558 PolarHBondContact OD2-ND1 2.86Å
559G95.9Very high86.9Confident6 Ų638.3 Ų38.36%0.06219%0.19CC..EExtended strand (participates in β ladder)trans-132.7160.2173.600000113F551 F577F551-G559 CarbonylContact O-C 3.6Å; F551-G559 WeakPolarHBondContact O-CA 3.38Å; G559-F577 VanDerWaalsContact C-CE1 3.46Å; G559-F577 PolarHBondContact N-O 3.47Å; G559-F577 WeakPolarHBondContact O-CD1 3.44Å; G559-F577 PolarHBondContact O-N 2.84Å
560H94.9Very high86.5Confident54 Ų5442.6 Ų42.625%0.2522%0.217CC..EExtended strand (participates in β ladder)trans-131.1142.5171.9-178.881.3000110.1S547 L550 F551 E575 S576S547-H560 PolarHBondContact OG-NE2 2.92Å; S547-H560 VanDerWaalsContact OG-NE2 3.13Å; L550-H560 CarbonylContact C-O 3.55Å; L550-H560 WeakPolarHBondContact CA-O 3.47Å; F551-H560 HydrophobicContact CB-CB 4.21Å; F551-H560 HydrophobicContact CD1-CB 4.34Å; F551-H560 PolarHBondContact N-O 2.97Å; F551-H560 PolarHBondContact O-N 2.82Å; H560-E575 CarbonylContact C-O 3.53Å; H560-E575 WeakPolarHBondContact CA-O 2.91Å; H560-E575 PolarHBondContact CE1-O 2.95Å; H560-E575 VanDerWaalsContact CG-O 3.31Å; H560-E575 PolarHBondContact ND1-O 3.21Å; H560-S576 PolarHBondContact ND1-OG 2.72Å
561T92.4Very high85.9Confident0 Ų044.7 Ų44.70%023%0.231CC..  trans-138.1135.1175-178.50000109.9A549 P571 L572 E575 F577A549-T561 WeakPolarHBondContact O-CB 3.45Å; A549-T561 PolarHBondContact O-OG1 2.69Å; T561-P571 HydrophobicContact CG2-CB 4.16Å; T561-L572 HydrophobicContact CG2-CB 4.23Å; T561-L572 WeakPolarHBondContact OG1-CG 3.34Å; T561-L572 PolarHBondContact OG1-N 3.13Å; T561-E575 PolarHBondContact N-O 2.84Å; T561-E575 WeakPolarHBondContact O-CA 3.47Å; T561-E575 VanDerWaalsContact O-CA 3.31Å; T561-F577 HydrophobicContact CG2-CE1 3.97Å; T561-F577 HydrophobicContact CG2-CD1 4.29Å
562G86.8Confident85.2Confident2 Ų242.2 Ų42.22%0.02122%0.221CC..  trans-141.4-179.4-17800000112.3N548 C564 N569N548-G562 PolarHBondContact O-N 3.34Å; G562-C564 PolarHBondContact O-N 2.8Å; G562-N569 PolarHBondContact O-ND2 3.19Å
563R80.8Confident84.7Confident162 Ų16243.2 Ų43.261%0.61123%0.228SC*.  trans-68.6123.9169.2-174173.3-173.4-99.9-11.4109.6D568 N569R563-D568 IonicContact CZ-OD1 3.28Å; R563-D568 IonicContact NH2-OD1 3.35Å; R563-D568 PolarHBondContact NH2-OD1 3.12Å; R563-N569 VanDerWaalsContact CA-O 3.31Å; R563-N569 WeakPolarHBondContact CA-O 3.31Å
564C78.5Confident84.3Confident1 Ų148.6 Ų48.61%0.00725%0.25CS..BIsolated β-bridgetrans-121.8134.5-177.6176.40000111.5G542 G543 A549 G562 T566 D568 N569G542-C564 PolarHBondContact O-SG 3.47Å; G543-C564 PolarHBondContact O-SG 3.19Å; A549-C564 HydrophobicContact CB-CB 3.67Å; G562-C564 PolarHBondContact O-N 2.8Å; C564-T566 PolarHBondContact SG-N 3.07Å; C564-T566 VanDerWaalsContact SG-N 3.41Å; C564-D568 WeakPolarHBondContact O-CA 3.05Å; C564-D568 PolarHBondContact O-N 2.75Å; C564-N569 WeakPolarHBondContact CB-OD1 3.27Å; C564-N569 PolarHBondContact N-O 2.89Å
565A69.6Low84Confident39 Ų3953 Ų5332%0.32227%0.267SS..THydrogen-bonded Turntrans-77-21.7-179.500000113.7N527 G544N527-A565 VanDerWaalsContact ND2-CB 3.35Å; N527-A565 WeakPolarHBondContact ND2-CB 3.22Å; G544-A565 VanDerWaalsContact O-CB 3.28Å; G544-A565 WeakPolarHBondContact O-CB 3.3Å; G544-A565 PolarHBondContact O-N 2.81Å
566T69.1Low84Confident2 Ų251.6 Ų51.61%0.01227%0.269CS..THydrogen-bonded Turntrans-71.7-29.2179.3-67.70000112.9L523 F531 G543 C564L523-T566 WeakPolarHBondContact CD2-O 3.32Å; F531-T566 HydrophobicContact CD1-CG2 3.57Å; F531-T566 HydrophobicContact CE1-CG2 3.77Å; F531-T566 HydrophobicContact CG-CG2 4.41Å; G543-T566 VanDerWaalsContact O-CB 3.26Å; G543-T566 WeakPolarHBondContact O-CB 3.4Å; G543-T566 PolarHBondContact O-OG1 3.3Å; C564-T566 PolarHBondContact SG-N 3.07Å; C564-T566 VanDerWaalsContact SG-N 3.41Å
567F70.4Confident84Confident41 Ų4152 Ų5218%0.1827%0.271CS..THydrogen-bonded Turntrans-116.6-4.8175.8-55.4-57.1000113.6C431 V433 F531 V541 A549 N569C431-F567 HydrophobicContact CB-CE1 3.94Å; C431-F567 HydrophobicContact CB-CZ 3.86Å; C431-F567 WeakPolarHBondContact O-CE1 3.14Å; V433-F567 HydrophobicContact CG1-CD2 4.1Å; V433-F567 HydrophobicContact CG1-CE2 4.02Å; V433-F567 HydrophobicContact CG2-CB 4.46Å; V433-F567 HydrophobicContact CG2-CD2 4.11Å; F531-F567 AromaticContact CD1-CE1 3.93Å; F531-F567 HydrophobicContact CD1-CE1 3.93Å; F531-F567 HydrophobicContact CD1-CZ 4.34Å; V541-F567 HydrophobicContact CG1-CE2 3.98Å; V541-F567 HydrophobicContact CG1-CZ 4.28Å; A549-F567 HydrophobicContact CB-CD2 3.71Å; A549-F567 HydrophobicContact CB-CE2 4.18Å; F567-N569 HydrophobicContact CB-CB 4.41Å; F567-N569 PolarHBondContact O-N 3.07Å
568D71Confident84.1Confident112 Ų11254.3 Ų54.360%0.59928%0.279SS*.THydrogen-bonded Turntrans48.839.9-170.8-162.931.5000112.8R563 C564R563-D568 IonicContact CZ-OD1 3.28Å; R563-D568 IonicContact NH2-OD1 3.35Å; R563-D568 PolarHBondContact NH2-OD1 3.12Å; C564-D568 WeakPolarHBondContact O-CA 3.05Å; C564-D568 PolarHBondContact O-N 2.75Å
569N69.6Low84.1Confident16 Ų1649.9 Ų49.99%0.08626%0.259CS..BIsolated β-bridgetrans-95.2150.6179.170.2-75.7000111.9V433 A549 G562 R563 C564 F567V433-N569 HydrophobicContact CG2-CB 4.06Å; A549-N569 WeakPolarHBondContact CB-OD1 3.26Å; G562-N569 PolarHBondContact O-ND2 3.19Å; R563-N569 VanDerWaalsContact CA-O 3.31Å; R563-N569 WeakPolarHBondContact CA-O 3.31Å; C564-N569 WeakPolarHBondContact CB-OD1 3.27Å; C564-N569 PolarHBondContact N-O 2.89Å; F567-N569 HydrophobicContact CB-CB 4.41Å; F567-N569 PolarHBondContact O-N 3.07Å
570P77.4Confident84.1Confident89 Ų8952.3 Ų52.358%0.57828%0.275SS*.PPolyproline II helixtrans-76.7171.216134.5-35000111.3L572P570-L572 PolarHBondContact O-N 3.45Å
571P82.5Confident84.2Confident45 Ų4550.4 Ų50.429%0.29227%0.267SS..PPolyproline II helixtrans-50134.4169.8-24.132.2000111.8T561 E575T561-P571 HydrophobicContact CG2-CB 4.16Å; P571-E575 HydrophobicContact CG-CG 4.14Å; P571-E575 HydrophobicContact CB-CG 4.23Å
572L82.6Confident84.5Confident14 Ų1450.4 Ų50.47%0.07327%0.267CS..SBendtrans-74.5-30.8-173.8-60.4175.8000113C405 V433 R435 L550 T561 P570C405-L572 HydrophobicContact CB-CB 4.08Å; C405-L572 HydrophobicContact CB-CD1 4.39Å; V433-L572 HydrophobicContact CB-CD1 4.01Å; V433-L572 HydrophobicContact CB-CD2 4.11Å; V433-L572 HydrophobicContact CG1-CD1 4.48Å; V433-L572 HydrophobicContact CG2-CD2 3.91Å; R435-L572 VanDerWaalsContact CD-O 3.22Å; R435-L572 WeakPolarHBondContact CD-O 3.05Å; L550-L572 HydrophobicContact CB-CD1 4.41Å; T561-L572 HydrophobicContact CG2-CB 4.23Å; T561-L572 WeakPolarHBondContact OG1-CG 3.34Å; T561-L572 PolarHBondContact OG1-N 3.13Å; P570-L572 PolarHBondContact O-N 3.45Å
573C85.9Confident85Confident21 Ų2150.4 Ų50.414%0.14227%0.266CS..SBendtrans-150.2-157.8176.758.90000107.8D403 E575 F577D403-C573 HydrophobicContact CB-CB 3.98Å; D403-C573 WeakPolarHBondContact OD2-CB 3.24Å; C573-E575 PolarHBondContact O-N 3.05Å; C573-F577 WeakPolarHBondContact SG-CD1 3.21Å
574K86.3Confident85.8Confident133 Ų13342.8 Ų42.858%0.57824%0.238SC*.SBendtrans-51.8132.2168.4-171.2179.9180-178.30110.2S576 F577K574-S576 PolarHBondContact O-N 2.84Å; K574-S576 VanDerWaalsContact O-N 3.09Å; K574-F577 WeakPolarHBondContact O-CD1 3.42Å
575E88.3Confident86.6Confident117 Ų11743.1 Ų43.155%0.54724%0.239SC..SBendtrans-54.5-36.8-170-70.3-173.7173.700113.4H560 T561 P571 C573H560-E575 CarbonylContact C-O 3.53Å; H560-E575 WeakPolarHBondContact CA-O 2.91Å; H560-E575 PolarHBondContact CE1-O 2.95Å; H560-E575 VanDerWaalsContact CG-O 3.31Å; H560-E575 PolarHBondContact ND1-O 3.21Å; T561-E575 PolarHBondContact N-O 2.84Å; T561-E575 WeakPolarHBondContact O-CA 3.47Å; T561-E575 VanDerWaalsContact O-CA 3.31Å; P571-E575 HydrophobicContact CG-CG 4.14Å; P571-E575 HydrophobicContact CB-CG 4.23Å; C573-E575 PolarHBondContact O-N 3.05Å
576S94.9Very high87.8Confident76 Ų7641.3 Ų41.353%0.53122%0.224SC..EExtended strand (participates in β ladder)trans-120.3129.6169.3-54.10000109.1H560 K574H560-S576 PolarHBondContact ND1-OG 2.72Å; K574-S576 PolarHBondContact O-N 2.84Å; K574-S576 VanDerWaalsContact O-N 3.09Å
577F95.2Very high88.7Confident10 Ų1042.5 Ų42.54%0.04423%0.229CC..EExtended strand (participates in β ladder)trans-142.2154.7-172.259.6-89.8000111.7I397 T399 L550 G559 T561 C573 K574 I579I397-F577 HydrophobicContact CG2-CE2 4.17Å; T399-F577 HydrophobicContact CG2-CB 4.1Å; T399-F577 HydrophobicContact CG2-CD2 3.61Å; T399-F577 HydrophobicContact CG2-CE2 4.26Å; T399-F577 HydrophobicContact CG2-CG 4Å; L550-F577 HydrophobicContact CD1-CE1 4.35Å; L550-F577 HydrophobicContact CD1-CZ 3.72Å; G559-F577 VanDerWaalsContact C-CE1 3.46Å; G559-F577 PolarHBondContact N-O 3.47Å; G559-F577 WeakPolarHBondContact O-CD1 3.44Å; G559-F577 PolarHBondContact O-N 2.84Å; T561-F577 HydrophobicContact CG2-CE1 3.97Å; T561-F577 HydrophobicContact CG2-CD1 4.29Å; C573-F577 WeakPolarHBondContact SG-CD1 3.21Å; K574-F577 WeakPolarHBondContact O-CD1 3.42Å; F577-I579 HydrophobicContact CE2-CG1 3.8Å; F577-I579 HydrophobicContact CE2-CD1 4.34Å; F577-I579 HydrophobicContact CD2-CG1 4.09Å
578Q97.1Very high89.3Confident100 Ų10044.1 Ų44.147%0.46724%0.237SC..EExtended strand (participates in β ladder)trans-97.5135.4171.6-169.7174.78.300108.9T399 T400 N557T399-Q578 CarbonylContact C-O 3.48Å; T399-Q578 WeakPolarHBondContact CA-O 3.44Å; T399-Q578 WeakPolarHBondContact CB-O 3.4Å; T400-Q578 HydrophobicContact CG2-CB 3.82Å; T400-Q578 HydrophobicContact CG2-CG 3.8Å; T400-Q578 PolarHBondContact N-O 3.15Å; N557-Q578 WeakPolarHBondContact O-CA 3.25Å; N557-Q578 WeakPolarHBondContact O-CG 3.49Å
579I97.1Very high89.4Confident8 Ų844 Ų444%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-85.2124.1179.8-62.5172.3000107.7I397 I552 N557 F577 L582I397-I579 HydrophobicContact CG2-CD1 4.39Å; I397-I579 HydrophobicContact CG2-CG1 3.94Å; I397-I579 HydrophobicContact CG2-CG2 4.08Å; I552-I579 HydrophobicContact CG1-CD1 4.35Å; I552-I579 HydrophobicContact CG2-CD1 3.63Å; N557-I579 PolarHBondContact O-N 2.55Å; F577-I579 HydrophobicContact CE2-CG1 3.8Å; F577-I579 HydrophobicContact CE2-CD1 4.34Å; F577-I579 HydrophobicContact CD2-CG1 4.09Å; I579-L582 HydrophobicContact CG2-CB 4.11Å
580S96.4Very high88.9Confident57 Ų5746.1 Ų46.140%0.39926%0.256SS..EExtended strand (participates in β ladder)trans-88.5-39.817161.50000111R398 T399R398-S580 WeakPolarHBondContact CG-OG 3.26Å; R398-S580 PolarHBondContact O-N 3.34Å; R398-S580 PolarHBondContact O-OG 3.12Å; T399-S580 PolarHBondContact O-OG 2.97Å
581L97.1Very high87.5Confident14 Ų1450.5 Ų50.57%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-149.5143.6178.3-165.470.4000110.8E344 I345 T373 I397 R398E344-L581 HydrophobicContact CB-CD2 3.29Å; E344-L581 HydrophobicContact CG-CD2 4.34Å; I345-L581 HydrophobicContact CD1-CB 4.26Å; I345-L581 HydrophobicContact CD1-CD2 4.22Å; I345-L581 HydrophobicContact CD1-CG 4.14Å; I345-L581 HydrophobicContact CG1-CB 4.17Å; I345-L581 HydrophobicContact CG1-CD2 3.56Å; I345-L581 HydrophobicContact CG1-CG 4Å; T373-L581 WeakPolarHBondContact OG1-CD1 3.18Å; I397-L581 WeakPolarHBondContact CA-O 3.34Å; R398-L581 HydrophobicContact CB-CB 4.31Å; R398-L581 PolarHBondContact N-O 3.21Å; R398-L581 PolarHBondContact O-N 3.01Å
582L97.9Very high85.7Confident0 Ų051.5 Ų51.50%028%0.283CS..EExtended strand (participates in β ladder)trans-132.8130.8173.1176.5159.9000109.2F371 T372 T373 F383 L395 L396 I397 I552 L556 I579F371-L582 HydrophobicContact CD1-CD2 3.82Å; F371-L582 HydrophobicContact CE1-CD2 3.85Å; T372-L582 CarbonylContact C-O 3.52Å; T372-L582 VanDerWaalsContact CA-O 3.25Å; T372-L582 WeakPolarHBondContact CA-O 3.44Å; T373-L582 HydrophobicContact CG2-CB 3.95Å; T373-L582 PolarHBondContact N-O 2.82Å; T373-L582 PolarHBondContact OG1-N 3.03Å; F383-L582 HydrophobicContact CD2-CD2 4.13Å; F383-L582 HydrophobicContact CE2-CD2 4.18Å; L395-L582 HydrophobicContact CD1-CD1 4.1Å; L395-L582 HydrophobicContact CD1-CD2 3.73Å; L395-L582 HydrophobicContact CD1-CG 3.87Å; L396-L582 CarbonylContact O-C 3.57Å; L396-L582 VanDerWaalsContact O-CA 3.3Å; L396-L582 WeakPolarHBondContact O-CA 3.38Å; I397-L582 HydrophobicContact CG1-CD1 4.26Å; I397-L582 HydrophobicContact CG1-CG 4.29Å; I552-L582 HydrophobicContact CD1-CD1 3.88Å; L556-L582 HydrophobicContact CD2-CD1 4.34Å; I579-L582 HydrophobicContact CG2-CB 4.11Å
583E98.1Very high83.5Confident2 Ų262.6 Ų62.61%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-120.2144.1173.9-65.9175.4176.400110.6S343 E344 I345 L369 F371 L396 W585S343-E583 WeakPolarHBondContact CB-OE2 3.43Å; S343-E583 VanDerWaalsContact OG-CD 3.27Å; S343-E583 PolarHBondContact OG-OE1 2.78Å; S343-E583 PolarHBondContact OG-OE2 2.97Å; E344-E583 PolarHBondContact N-OE1 3.24Å; I345-E583 HydrophobicContact CD1-CB 3.94Å; I345-E583 HydrophobicContact CD1-CG 3.65Å; I345-E583 HydrophobicContact CG1-CG 3.98Å; I345-E583 PolarHBondContact N-OE1 3.39Å; L369-E583 HydrophobicContact CD1-CB 3.99Å; L369-E583 HydrophobicContact CD1-CG 4.13Å; F371-E583 CarbonylContact O-C 3.52Å; F371-E583 VanDerWaalsContact O-CA 3.22Å; F371-E583 WeakPolarHBondContact O-CA 3.16Å; L396-E583 HydrophobicContact CB-CB 4.32Å; L396-E583 PolarHBondContact N-O 3.25Å; L396-E583 PolarHBondContact O-N 2.82Å; E583-W585 WeakPolarHBondContact OE2-CZ2 3.44Å; E583-W585 PolarHBondContact OE2-NE1 3.41Å
584A97.6Very high83.4Confident2 Ų264.7 Ų64.72%0.01734%0.344CS..EExtended strand (participates in β ladder)trans-122.1128.9170.900000109.7L370 F371 F383 L394 L395L370-A584 WeakPolarHBondContact CB-O 3.47Å; L370-A584 PolarHBondContact N-O 2.87Å; F371-A584 HydrophobicContact CB-CB 3.94Å; F371-A584 PolarHBondContact N-O 2.92Å; F371-A584 VanDerWaalsContact N-O 3.14Å; F371-A584 PolarHBondContact O-N 2.93Å; F383-A584 HydrophobicContact CD2-CB 4.35Å; F383-A584 HydrophobicContact CE2-CB 3.65Å; F383-A584 HydrophobicContact CZ-CB 4.39Å; L394-A584 CarbonylContact O-C 3.46Å; L394-A584 WeakPolarHBondContact O-CA 3.48Å; L395-A584 HydrophobicContact CD1-CB 4.46Å
585W95.7Very high83.2Confident8 Ų861.1 Ų61.13%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-119.1136.2-174-6684.4000111F341 S342 M351 P367 E368 L369 T393 L394 E583F341-W585 HydrophobicContact CD2-CH2 4.29Å; F341-W585 HydrophobicContact CD2-CZ3 4.42Å; F341-W585 AromaticContact CE2-CH2 3.59Å; F341-W585 HydrophobicContact CE2-CH2 3.59Å; F341-W585 HydrophobicContact CE2-CZ2 4.06Å; F341-W585 AromaticContact CE2-CZ3 3.89Å; F341-W585 HydrophobicContact CE2-CZ3 3.89Å; F341-W585 HydrophobicContact CZ-CH2 4.19Å; F341-W585 HydrophobicContact CZ-CZ2 4.28Å; S342-W585 VanDerWaalsContact O-CH2 3.32Å; S342-W585 WeakPolarHBondContact O-CH2 3.47Å; M351-W585 HydrophobicContact CE-CD2 3.96Å; M351-W585 HydrophobicContact CE-CG 4.19Å; M351-W585 HydrophobicContact CE-CZ2 4.26Å; P367-W585 HydrophobicContact CB-CE3 3.69Å; P367-W585 HydrophobicContact CB-CZ3 3.98Å; E368-W585 VanDerWaalsContact C-CE3 3.48Å; E368-W585 CarbonylContact O-C 3.58Å; E368-W585 VanDerWaalsContact O-CA 3.24Å; E368-W585 WeakPolarHBondContact O-CA 3.22Å; L369-W585 HydrophobicContact CB-CD2 4.35Å; L369-W585 HydrophobicContact CB-CE3 3.95Å; L369-W585 HydrophobicContact CB-CH2 3.79Å; L369-W585 HydrophobicContact CB-CZ2 4.17Å; L369-W585 HydrophobicContact CB-CZ3 3.68Å; L369-W585 HydrophobicContact CD1-CD2 4.04Å; L369-W585 HydrophobicContact CD1-CH2 4.25Å; L369-W585 HydrophobicContact CD1-CZ2 3.72Å; L369-W585 HydrophobicContact CG-CH2 4.43Å; L369-W585 HydrophobicContact CG-CZ2 4.36Å; T393-W585 CarbonylContact C-O 3.57Å; T393-W585 VanDerWaalsContact CA-O 3.3Å; T393-W585 WeakPolarHBondContact CA-O 3.34Å; L394-W585 HydrophobicContact CB-CB 4.16Å; L394-W585 PolarHBondContact N-O 3.09Å; L394-W585 PolarHBondContact O-N 2.99Å; E583-W585 WeakPolarHBondContact OE2-CZ2 3.44Å; E583-W585 PolarHBondContact OE2-NE1 3.41Å
586G92.7Very high82.9Confident0 Ų058 Ų580%032%0.319CS..EExtended strand (participates in β ladder)trans-102.6178.3173.700000112.4E368E368-G586 PolarHBondContact N-O 2.9Å; E368-G586 PolarHBondContact O-N 2.87Å
587F89.9Confident82.2Confident27 Ų2756.9 Ų56.912%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-121.7101.3-174.8-64.6-99.5000109.1W355 I358 F362 C365 P392 L394 F408W355-F587 HydrophobicContact CD2-CE1 4.44Å; W355-F587 AromaticContact CE2-CE1 3.71Å; W355-F587 AromaticContact CH2-CD1 3.9Å; W355-F587 HydrophobicContact CH2-CD1 3.9Å; W355-F587 AromaticContact CH2-CE1 3.5Å; W355-F587 HydrophobicContact CH2-CE1 3.5Å; W355-F587 VanDerWaalsContact CH2-CE1 3.5Å; W355-F587 HydrophobicContact CH2-CE2 4.45Å; W355-F587 HydrophobicContact CH2-CG 4.5Å; W355-F587 AromaticContact CH2-CZ 3.8Å; W355-F587 HydrophobicContact CH2-CZ 3.8Å; W355-F587 AromaticContact CZ2-CD1 3.38Å; W355-F587 HydrophobicContact CZ2-CD1 3.38Å; W355-F587 AromaticContact CZ2-CE1 3.23Å; W355-F587 HydrophobicContact CZ2-CE1 3.23Å; W355-F587 HydrophobicContact CZ2-CG 4.25Å; W355-F587 HydrophobicContact CZ2-CZ 4.04Å; W355-F587 HydrophobicContact CZ3-CE1 4.23Å; W355-F587 HydrophobicContact CZ3-CZ 4.31Å; I358-F587 HydrophobicContact CD1-CE1 3.46Å; I358-F587 VanDerWaalsContact CD1-CE1 3.46Å; I358-F587 HydrophobicContact CD1-CZ 3.58Å; I358-F587 HydrophobicContact CG2-CE1 3.78Å; I358-F587 HydrophobicContact CG2-CZ 4.28Å; F362-F587 HydrophobicContact CB-CD1 3.86Å; F362-F587 HydrophobicContact CB-CE1 4.25Å; C365-F587 HydrophobicContact CB-CB 3.74Å; C365-F587 HydrophobicContact CB-CD1 4.13Å; C365-F587 HydrophobicContact CB-CG 4.45Å; P392-F587 HydrophobicContact CB-CD2 4.34Å; P392-F587 HydrophobicContact CB-CE2 4.18Å; P392-F587 HydrophobicContact CG-CD2 3.55Å; P392-F587 HydrophobicContact CG-CE2 3.67Å; P392-F587 HydrophobicContact CG-CG 4.02Å; P392-F587 HydrophobicContact CG-CZ 4.22Å; P392-F587 WeakPolarHBondContact O-CD2 3.36Å; L394-F587 HydrophobicContact CB-CE2 4.49Å; L394-F587 HydrophobicContact CB-CZ 4.34Å; F408-F587 HydrophobicContact CD2-CZ 4.1Å; F408-F587 HydrophobicContact CE2-CE1 4.38Å; F408-F587 HydrophobicContact CE2-CE2 4.08Å; F408-F587 AromaticContact CE2-CZ 3.68Å; F408-F587 HydrophobicContact CE2-CZ 3.68Å
588Q82.6Confident81.4Confident75 Ų7559.9 Ų59.935%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-89.9129.9180-169.8175.21700110.6C365 Q366 E368 A590C365-Q588 CarbonylContact C-O 3.54Å; C365-Q588 VanDerWaalsContact CA-O 3.25Å; C365-Q588 WeakPolarHBondContact CA-O 3.38Å; C365-Q588 WeakPolarHBondContact CB-O 3.44Å; Q366-Q588 PolarHBondContact N-O 3.36Å; Q366-Q588 PolarHBondContact O-N 3.3Å; E368-Q588 HydrophobicContact CB-CB 4.4Å; Q588-A590 PolarHBondContact O-N 3.39Å
589D71.9Confident80.4Confident110 Ų11057.2 Ų57.259%0.58831%0.314SS*.  trans-66.7120.8175.4-94.8-21.4000110.9M591 A592D589-M591 PolarHBondContact O-N 2.88Å; D589-A592 HydrophobicContact CB-CB 4.21Å; D589-A592 PolarHBondContact O-N 3.13Å; D589-A592 VanDerWaalsContact O-N 3.12Å
590A59.1Low79.2Confident60 Ų6060.7 Ų60.750%0.49633%0.333SS..THydrogen-bonded Turntrans-62.6-9.1179.600000114.4Q588Q588-A590 PolarHBondContact O-N 3.39Å
591M49.5Very low77.9Confident182 Ų18261 Ų6190%0.89733%0.328SS*.THydrogen-bonded Turntrans-1071.5-178.1-66.1-77.6-75.400113.3D589 H593D589-M591 PolarHBondContact O-N 2.88Å; M591-H593 PolarHBondContact O-N 3.09Å
592A43.1Very low76.3Confident66 Ų6664.9 Ų64.955%0.54535%0.35SS..  trans-9166.8179.500000111.3D589D589-A592 HydrophobicContact CB-CB 4.21Å; D589-A592 PolarHBondContact O-N 3.13Å; D589-A592 VanDerWaalsContact O-N 3.12Å
593H37.2Very low74.3Confident247 Ų24770.8 Ų70.8100%1.14438%0.381SS*.  trans-135.60165.8-84.4-43.3000111.6M591M591-H593 PolarHBondContact O-N 3.09Å

Retrieved 593 of 593 residues in 196.8 ms (Link to these results)

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