G4VIL3_SCHMA Loading...

Putative 40s ribosomal protein S10

AlphaFold DB , UniProt , Accession G4VIL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 159 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
1M86.1Confident93.2Very high136 Ų13674 Ų7467%0.6741%0.411SS*.  0131.10176.1176.9-176.400107.3L3 L41 Y42 K45M1-L3 HydrophobicContact CE-CD2 3.75Å; M1-L3 HydrophobicContact CG-CD2 4.33Å; M1-L3 HydrophobicContact CG-CG 4.34Å; M1-L3 HydrophobicContact SD-CD2 4.01Å; M1-L3 HydrophobicContact SD-CG 4.5Å; M1-L41 HydrophobicContact CE-CD2 3.55Å; M1-L41 HydrophobicContact SD-CD2 3.47Å; M1-L41 WeakPolarHBondContact SD-CD2 3.23Å; M1-Y42 HydrophobicContact CE-CD1 3.37Å; M1-Y42 HydrophobicContact CE-CE1 3.24Å; M1-Y42 HydrophobicContact SD-CD1 4.15Å; M1-K45 HydrophobicContact CB-CB 4.42Å; M1-K45 HydrophobicContact SD-CB 3.99Å; M1-K45 HydrophobicContact SD-CG 3.88Å
2L90.6Very high93.3Very high171 Ų17168.6 Ų68.690%0.89538%0.38SS*.  trans-75.3130.8173-161.485.8000109.1
3L91.8Very high93.4Very high33 Ų3371.6 Ų71.617%0.17339%0.39CS..  trans-132.3143.4177.6-69.2171.6000109.1M1 Y42 T46M1-L3 HydrophobicContact CE-CD2 3.75Å; M1-L3 HydrophobicContact CG-CD2 4.33Å; M1-L3 HydrophobicContact CG-CG 4.34Å; M1-L3 HydrophobicContact SD-CD2 4.01Å; M1-L3 HydrophobicContact SD-CG 4.5Å; L3-Y42 HydrophobicContact CD2-CD1 3.43Å; L3-Y42 VanDerWaalsContact CD2-CD1 3.43Å; L3-Y42 HydrophobicContact CD2-CD2 3.94Å; L3-Y42 HydrophobicContact CD2-CE1 3.95Å; L3-Y42 HydrophobicContact CD2-CE2 4.36Å; L3-Y42 HydrophobicContact CD2-CG 3.43Å; L3-Y42 VanDerWaalsContact CD2-CG 3.43Å; L3-T46 WeakPolarHBondContact CD1-OG1 3.49Å
4P94.9Very high93.5Very high78 Ų7870.6 Ų70.651%0.50638%0.38SS..  trans-56.4139.4169.5-23.233.7000111.1A6 T7 R8P4-A6 VanDerWaalsContact C-N 3.3Å; P4-A6 PolarHBondContact O-N 2.84Å; P4-T7 PolarHBondContact O-N 3.13Å; P4-T7 VanDerWaalsContact O-N 3.17Å; P4-R8 PolarHBondContact O-N 3.37Å
5L93.6Very high93.5Very high111 Ų11166 Ų6658%0.58136%0.355SS*.Hα-helixtrans-57.6-42.6-177.2-68.1175.1000112.1T7 R8 N9L5-T7 PolarHBondContact O-N 3.1Å; L5-R8 PolarHBondContact O-N 3.39Å; L5-N9 WeakPolarHBondContact O-CB 3.25Å; L5-N9 VanDerWaalsContact O-CG 3.25Å; L5-N9 PolarHBondContact O-N 3.37Å; L5-N9 PolarHBondContact O-OD1 3.18Å
6A93.8Very high93.6Very high77 Ų7762.3 Ų62.364%0.63634%0.335SS*.Hα-helixtrans-59.1-44.917800000112.5P4 N9 S10P4-A6 VanDerWaalsContact C-N 3.3Å; P4-A6 PolarHBondContact O-N 2.84Å; A6-N9 PolarHBondContact O-N 3.29Å; A6-S10 WeakPolarHBondContact O-CB 3.4Å; A6-S10 PolarHBondContact O-N 2.99Å
7T94.7Very high93.6Very high32 Ų3265.2 Ų65.220%0.19635%0.346CS..Hα-helixtrans-66.1-39.8178.5-53.10000111.9P4 L5 I11 V38 Y42P4-T7 PolarHBondContact O-N 3.13Å; P4-T7 VanDerWaalsContact O-N 3.17Å; L5-T7 PolarHBondContact O-N 3.1Å; T7-I11 WeakPolarHBondContact O-CG1 3.49Å; T7-I11 PolarHBondContact O-N 2.97Å; T7-V38 HydrophobicContact CG2-CB 4.4Å; T7-V38 HydrophobicContact CG2-CG1 3.45Å; T7-V38 VanDerWaalsContact CG2-CG1 3.45Å; T7-V38 HydrophobicContact CG2-CG2 3.95Å; T7-Y42 HydrophobicContact CG2-CD2 3.82Å; T7-Y42 HydrophobicContact CG2-CE2 4.47Å
8R94.6Very high93.6Very high89 Ų8965 Ų6534%0.33635%0.345SS..Hα-helixtrans-64.2-46.8176.4-174.7-169.870.6-177.34.4111.2P4 L5 S10 I11 F12P4-R8 PolarHBondContact O-N 3.37Å; L5-R8 PolarHBondContact O-N 3.39Å; R8-S10 PolarHBondContact O-N 3.24Å; R8-I11 PolarHBondContact O-N 2.81Å; R8-F12 HydrophobicContact CG-CD2 4.19Å; R8-F12 HydrophobicContact CG-CE1 4.28Å; R8-F12 HydrophobicContact CG-CE2 3.62Å; R8-F12 HydrophobicContact CG-CZ 3.68Å; R8-F12 WeakPolarHBondContact O-CG 3.17Å; R8-F12 PolarHBondContact O-N 3.22Å; R8-F12 VanDerWaalsContact O-N 3.08Å
9N94.2Very high93.7Very high49 Ų4961.7 Ų61.726%0.26233%0.328SS..Hα-helixtrans-64.5-40.4-179-69.24.5000111.2L5 A6 I11 F12 E13 L81L5-N9 WeakPolarHBondContact O-CB 3.25Å; L5-N9 VanDerWaalsContact O-CG 3.25Å; L5-N9 PolarHBondContact O-N 3.37Å; L5-N9 PolarHBondContact O-OD1 3.18Å; A6-N9 PolarHBondContact O-N 3.29Å; N9-I11 VanDerWaalsContact C-N 3.28Å; N9-I11 PolarHBondContact O-N 3.06Å; N9-F12 WeakPolarHBondContact O-CB 3.41Å; N9-F12 PolarHBondContact O-N 3.34Å; N9-E13 WeakPolarHBondContact O-CG 3.07Å; N9-E13 PolarHBondContact O-N 3.33Å; N9-L81 HydrophobicContact CB-CD2 4.29Å
10S94.6Very high93.7Very high38 Ų3861 Ų6127%0.26633%0.326SS..Hα-helixtrans-58-37.9173.8178.60000113.2A6 R8 K14A6-S10 WeakPolarHBondContact O-CB 3.4Å; A6-S10 PolarHBondContact O-N 2.99Å; R8-S10 PolarHBondContact O-N 3.24Å; S10-K14 WeakPolarHBondContact O-CG 3.25Å; S10-K14 PolarHBondContact O-N 2.74Å
11I95.8Very high93.8Very high0 Ų058.5 Ų58.50%031%0.313CS..Hα-helixtrans-67-44.9174.2-63.6163.8000110.4T7 R8 N9 K14 V15 L21 I36 V38 V43 T46T7-I11 WeakPolarHBondContact O-CG1 3.49Å; T7-I11 PolarHBondContact O-N 2.97Å; R8-I11 PolarHBondContact O-N 2.81Å; N9-I11 VanDerWaalsContact C-N 3.28Å; N9-I11 PolarHBondContact O-N 3.06Å; I11-K14 PolarHBondContact O-N 3.06Å; I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.41Å; I11-V15 PolarHBondContact O-N 2.92Å; I11-L21 HydrophobicContact CG2-CD2 4.47Å; I11-I36 HydrophobicContact CG1-CG2 4.48Å; I11-V38 HydrophobicContact CD1-CG1 4.33Å; I11-V43 HydrophobicContact CD1-CG2 4.22Å; I11-V43 HydrophobicContact CG1-CG2 4.29Å; I11-T46 HydrophobicContact CD1-CG2 4.49Å; I11-T46 HydrophobicContact CG2-CG2 4.14Å
12F95.4Very high94.3Very high9 Ų955 Ų554%0.03930%0.299CS..Hα-helixtrans-63.8-42.7179.8-69.6-13.3000112.9R8 N9 K14 V15 I16 T46 L50 L77 V80 L81R8-F12 HydrophobicContact CG-CD2 4.19Å; R8-F12 HydrophobicContact CG-CE1 4.28Å; R8-F12 HydrophobicContact CG-CE2 3.62Å; R8-F12 HydrophobicContact CG-CZ 3.68Å; R8-F12 WeakPolarHBondContact O-CG 3.17Å; R8-F12 PolarHBondContact O-N 3.22Å; R8-F12 VanDerWaalsContact O-N 3.08Å; N9-F12 WeakPolarHBondContact O-CB 3.41Å; N9-F12 PolarHBondContact O-N 3.34Å; F12-K14 VanDerWaalsContact C-N 3.28Å; F12-K14 PolarHBondContact O-N 3.48Å; F12-V15 PolarHBondContact O-N 2.71Å; F12-I16 WeakPolarHBondContact O-CG2 3.41Å; F12-I16 PolarHBondContact O-N 2.97Å; F12-T46 HydrophobicContact CD1-CG2 4.25Å; F12-T46 HydrophobicContact CE1-CG2 3.5Å; F12-T46 HydrophobicContact CZ-CG2 4.19Å; F12-L50 HydrophobicContact CD1-CD1 4.29Å; F12-L50 HydrophobicContact CE1-CD1 3.89Å; F12-L50 HydrophobicContact CE1-CD2 4.14Å; F12-L50 HydrophobicContact CE1-CG 4.25Å; F12-L50 HydrophobicContact CZ-CD2 4.42Å; F12-L77 HydrophobicContact CB-CD2 3.88Å; F12-L77 HydrophobicContact CD1-CD2 3.83Å; F12-L77 HydrophobicContact CD2-CD2 4.17Å; F12-L77 HydrophobicContact CE1-CD2 4.38Å; F12-L77 HydrophobicContact CG-CD2 3.7Å; F12-V80 HydrophobicContact CD2-CG1 3.88Å; F12-V80 HydrophobicContact CE2-CG1 3.87Å; F12-L81 HydrophobicContact CB-CD1 4.05Å; F12-L81 HydrophobicContact CB-CD2 4.11Å; F12-L81 HydrophobicContact CB-CG 4.3Å
13E94.2Very high94.5Very high108 Ų10847 Ų4751%0.50526%0.257SS..Hα-helixtrans-57.1-42.7174.5-75.7168.3-164.100111.5N9 I16 Q17 L81N9-E13 WeakPolarHBondContact O-CG 3.07Å; N9-E13 PolarHBondContact O-N 3.33Å; E13-I16 VanDerWaalsContact O-CG2 3.24Å; E13-I16 WeakPolarHBondContact O-CG2 3.46Å; E13-I16 PolarHBondContact O-N 3.21Å; E13-Q17 VanDerWaalsContact O-CB 3.27Å; E13-Q17 WeakPolarHBondContact O-CB 3.33Å; E13-Q17 PolarHBondContact O-N 3.13Å; E13-L81 HydrophobicContact CG-CD1 4.17Å; E13-L81 HydrophobicContact CG-CD2 4.24Å
14K94.3Very high94.6Very high57 Ų5751.4 Ų51.425%0.24827%0.272CS..Hα-helixtrans-68.8-40.9178-78.5-74.6-172.5-163.60113S10 I11 F12 I16 Q17 D18 T35 I36S10-K14 WeakPolarHBondContact O-CG 3.25Å; S10-K14 PolarHBondContact O-N 2.74Å; I11-K14 PolarHBondContact O-N 3.06Å; F12-K14 VanDerWaalsContact C-N 3.28Å; F12-K14 PolarHBondContact O-N 3.48Å; K14-I16 PolarHBondContact O-N 3.21Å; K14-Q17 PolarHBondContact O-N 2.94Å; K14-D18 PolarHBondContact O-N 3.07Å; K14-D18 VanDerWaalsContact O-N 3.14Å; K14-T35 HydrophobicContact CD-CG2 4.48Å; K14-I36 HydrophobicContact CB-CD1 3.72Å; K14-I36 HydrophobicContact CB-CG1 4.06Å; K14-I36 HydrophobicContact CD-CG1 4.48Å; K14-I36 HydrophobicContact CG-CD1 4.09Å; K14-I36 HydrophobicContact CG-CG1 3.87Å; K14-I36 HydrophobicContact CG-CG2 4.46Å
15V94.6Very high94.6Very high2 Ų249.8 Ų49.81%0.01226%0.259CS..Hα-helixtrans-63.6-41176.21740000111.6I11 F12 G19 L21 M47 L69 L77I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.41Å; I11-V15 PolarHBondContact O-N 2.92Å; F12-V15 PolarHBondContact O-N 2.71Å; V15-G19 WeakPolarHBondContact O-CA 3.41Å; V15-G19 PolarHBondContact O-N 2.69Å; V15-L21 HydrophobicContact CG2-CB 4.2Å; V15-L21 HydrophobicContact CG2-CD2 3.82Å; V15-M47 HydrophobicContact CG2-CE 4.1Å; V15-M47 HydrophobicContact CG2-SD 3.72Å; V15-L69 HydrophobicContact CG1-CD1 3.95Å; V15-L69 HydrophobicContact CG1-CD2 4.34Å; V15-L77 HydrophobicContact CB-CD1 4.31Å; V15-L77 HydrophobicContact CG1-CD1 3.83Å
16I94.3Very high94.5Very high7 Ų745.2 Ų45.24%0.03624%0.235CC..Hα-helixtrans-75-31.5178.9-163.565.7000112.3F12 E13 K14 L69 I74 L77 L81 L83 P89F12-I16 WeakPolarHBondContact O-CG2 3.41Å; F12-I16 PolarHBondContact O-N 2.97Å; E13-I16 VanDerWaalsContact O-CG2 3.24Å; E13-I16 WeakPolarHBondContact O-CG2 3.46Å; E13-I16 PolarHBondContact O-N 3.21Å; K14-I16 PolarHBondContact O-N 3.21Å; I16-L69 HydrophobicContact CD1-CD2 3.93Å; I16-I74 HydrophobicContact CD1-CB 4.43Å; I16-I74 HydrophobicContact CD1-CG1 4.41Å; I16-I74 HydrophobicContact CD1-CG2 4.07Å; I16-L77 HydrophobicContact CB-CD1 4.25Å; I16-L77 HydrophobicContact CD1-CB 4.17Å; I16-L77 HydrophobicContact CD1-CD1 4.3Å; I16-L81 HydrophobicContact CG2-CD1 4Å; I16-L83 HydrophobicContact CG2-CD1 4.25Å; I16-P89 VanDerWaalsContact O-CA 3.24Å; I16-P89 WeakPolarHBondContact O-CA 3.49Å; I16-P89 VanDerWaalsContact O-CB 3.3Å; I16-P89 WeakPolarHBondContact O-CB 3.07Å
17Q93.5Very high94.3Very high111 Ų11145.3 Ų45.352%0.51923%0.228SC..Hα-helixtrans-64.5-52.8176.9-177.8176.720.100111.2E13 K14 A90E13-Q17 VanDerWaalsContact O-CB 3.27Å; E13-Q17 WeakPolarHBondContact O-CB 3.33Å; E13-Q17 PolarHBondContact O-N 3.13Å; K14-Q17 PolarHBondContact O-N 2.94Å; Q17-A90 WeakPolarHBondContact O-CB 3.25Å; Q17-A90 PolarHBondContact O-N 3.31Å
18D94.2Very high94.2Very high62 Ų6250.8 Ų50.833%0.33225%0.245SC..Hα-helixtrans-88.3-33.6-173.5-64.4-20000111.6K14 V20 T91K14-D18 PolarHBondContact O-N 3.07Å; K14-D18 VanDerWaalsContact O-N 3.14Å; D18-V20 PolarHBondContact O-N 3.18Å; D18-T91 WeakPolarHBondContact O-CG2 3.47Å
19G94.8Very high93.8Very high2 Ų251.5 Ų51.52%0.02126%0.261CS..SBendtrans79.5-7.1-171.200000114.1V15 L69V15-G19 WeakPolarHBondContact O-CA 3.41Å; V15-G19 PolarHBondContact O-N 2.69Å; G19-L69 VanDerWaalsContact O-CB 3.31Å; G19-L69 WeakPolarHBondContact O-CB 3.5Å; G19-L69 PolarHBondContact O-N 3.22Å
20V94.8Very high93.4Very high47 Ų4754.1 Ų54.129%0.28528%0.282SS..EExtended strand (participates in β ladder)trans-136144.8179.2177.50000108.4D18 W67 F68 T91D18-V20 PolarHBondContact O-N 3.18Å; V20-W67 WeakPolarHBondContact CA-O 3.32Å; V20-W67 WeakPolarHBondContact CG1-O 3.3Å; V20-F68 HydrophobicContact CG2-CD1 4Å; V20-F68 HydrophobicContact CG2-CE1 4.41Å; V20-T91 HydrophobicContact CG2-CG2 3.76Å
21L95.3Very high93.1Very high10 Ų1055.5 Ų55.55%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-136.8144.7169.4-170.964.9000110.2I11 V15 I36 V43 M47 W67I11-L21 HydrophobicContact CG2-CD2 4.47Å; V15-L21 HydrophobicContact CG2-CB 4.2Å; V15-L21 HydrophobicContact CG2-CD2 3.82Å; L21-I36 HydrophobicContact CD1-CD1 3.85Å; L21-I36 HydrophobicContact CD2-CD1 4.35Å; L21-V43 HydrophobicContact CD2-CG1 3.48Å; L21-V43 VanDerWaalsContact CD2-CG1 3.48Å; L21-V43 HydrophobicContact CG-CG1 4.38Å; L21-M47 HydrophobicContact CB-CE 4.21Å; L21-M47 HydrophobicContact CD2-CE 4.32Å; L21-M47 HydrophobicContact CD2-CG 3.95Å; L21-M47 HydrophobicContact CD2-SD 3.94Å; L21-W67 HydrophobicContact CB-CE3 4.14Å; L21-W67 HydrophobicContact CD2-CE3 4.35Å; L21-W67 HydrophobicContact CD2-CZ3 4.47Å; L21-W67 HydrophobicContact CG-CE3 4.21Å; L21-W67 HydrophobicContact CG-CZ3 4.49Å; L21-W67 PolarHBondContact N-O 3.41Å; L21-W67 VanDerWaalsContact N-O 3.08Å; L21-W67 PolarHBondContact O-N 3.1Å
22T95.4Very high92.9Very high62 Ų6259.4 Ų59.438%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-121.6146.6175.160.80000110.1H33 Y65 Y66T22-H33 PolarHBondContact O-CE1 2.98Å; T22-H33 PolarHBondContact O-ND1 3.09Å; T22-Y65 CarbonylContact C-O 3.57Å; T22-Y65 VanDerWaalsContact CA-O 3.27Å; T22-Y65 WeakPolarHBondContact CA-O 3.25Å; T22-Y66 HydrophobicContact CG2-CD1 3.68Å; T22-Y66 HydrophobicContact CG2-CE1 4.08Å
23A95.5Very high92.7Very high2 Ų259.2 Ų59.22%0.01730%0.302CS..EExtended strand (participates in β ladder)trans-151133.517100000111.1N40 V43 I44 T64 Y65 W67A23-N40 WeakPolarHBondContact CB-OD1 3.37Å; A23-V43 HydrophobicContact CB-CG1 4.34Å; A23-I44 HydrophobicContact CB-CG1 4.25Å; A23-T64 WeakPolarHBondContact O-CA 3.33Å; A23-Y65 PolarHBondContact N-O 3.2Å; A23-Y65 PolarHBondContact O-N 3.09Å; A23-W67 HydrophobicContact CB-CH2 3.69Å; A23-W67 HydrophobicContact CB-CZ3 3.44Å; A23-W67 VanDerWaalsContact CB-CZ3 3.44Å
24R94.6Very high92.5Very high127 Ų12758.6 Ų58.648%0.47931%0.307SS..EExtended strand (participates in β ladder)trans-67.4141.4169.5-170.2175-177.8172.60.8109.4D26 Y31 N40 R63R24-D26 PolarHBondContact O-N 3.19Å; R24-Y31 HydrophobicContact CB-CE1 4.15Å; R24-N40 PolarHBondContact O-ND2 2.81Å; R24-R63 CarbonylContact C-O 3.58Å
25N93.9Very high92.3Very high44 Ų4459.6 Ų59.624%0.23532%0.318CS..SBendtrans-77.568.7173.9-169.219000110.8Y60 R63 Y65N25-Y60 HydrophobicContact CB-CE2 4.07Å; N25-Y60 PolarHBondContact ND2-OH 3.23Å; N25-R63 WeakPolarHBondContact CB-O 3.44Å; N25-R63 PolarHBondContact N-O 3.28Å; N25-Y65 HydrophobicContact CB-CD2 4.24Å; N25-Y65 HydrophobicContact CB-CE2 3.54Å; N25-Y65 PolarHBondContact ND2-OH 3.4Å; N25-Y65 PolarHBondContact OD1-OH 3.21Å
26D93.1Very high92Very high14 Ų1460.1 Ų60.18%0.07532%0.321CS..  trans-124.4113.8172.7-168.8-11.3000109.1R24 R28 Y31 N40R24-D26 PolarHBondContact O-N 3.19Å; D26-R28 WeakPolarHBondContact OD1-CB 3.33Å; D26-R28 VanDerWaalsContact OD1-CG 3.29Å; D26-R28 WeakPolarHBondContact OD1-CG 3.32Å; D26-R28 IonicContact OD1-CZ 3.94Å; D26-R28 PolarHBondContact OD1-N 2.77Å; D26-R28 VanDerWaalsContact OD1-N 3.16Å; D26-R28 IonicContact OD1-NE 3Å; D26-R28 PolarHBondContact OD1-NE 2.98Å; D26-R28 IonicContact OD2-CZ 3.34Å; D26-R28 IonicContact OD2-NE 3.15Å; D26-R28 PolarHBondContact OD2-NE 3.2Å; D26-R28 VanDerWaalsContact OD2-NE 3.15Å; D26-R28 IonicContact OD2-NH2 2.7Å; D26-R28 PolarHBondContact OD2-NH2 2.8Å; D26-Y31 HydrophobicContact CB-CD1 3.87Å; D26-Y31 HydrophobicContact CB-CE1 4.32Å; D26-Y31 HydrophobicContact CB-CG 4.22Å; D26-N40 PolarHBondContact O-ND2 2.97Å
27T89.7Confident91.8Very high79 Ų7966.2 Ų66.249%0.48535%0.354SS..  trans-97.45.1-173.854.30000113.1
28R91.7Very high91.7Very high147 Ų14761.8 Ų61.856%0.55533%0.334SS*.  trans-65.4140.4-178.8-67.8179.3-65.8167.94110.9D26 C30 Y31D26-R28 WeakPolarHBondContact OD1-CB 3.33Å; D26-R28 VanDerWaalsContact OD1-CG 3.29Å; D26-R28 WeakPolarHBondContact OD1-CG 3.32Å; D26-R28 IonicContact OD1-CZ 3.94Å; D26-R28 PolarHBondContact OD1-N 2.77Å; D26-R28 VanDerWaalsContact OD1-N 3.16Å; D26-R28 IonicContact OD1-NE 3Å; D26-R28 PolarHBondContact OD1-NE 2.98Å; D26-R28 IonicContact OD2-CZ 3.34Å; D26-R28 IonicContact OD2-NE 3.15Å; D26-R28 PolarHBondContact OD2-NE 3.2Å; D26-R28 VanDerWaalsContact OD2-NE 3.15Å; D26-R28 IonicContact OD2-NH2 2.7Å; D26-R28 PolarHBondContact OD2-NH2 2.8Å; R28-C30 PolarHBondContact O-N 3.42Å; R28-C30 VanDerWaalsContact O-N 3.14Å; R28-Y31 PolarHBondContact O-N 2.83Å; R28-Y31 VanDerWaalsContact O-N 3.11Å
29P86Confident91.6Very high104 Ų10464.7 Ų64.768%0.67534%0.341SS*.THydrogen-bonded Turntrans-60.2-25.2-177.3-25.234000115.1Y31P29-Y31 VanDerWaalsContact C-N 3.34Å
30C85.2Confident91.6Very high105 Ų10564.6 Ų64.671%0.70934%0.34SS*.THydrogen-bonded Turntrans-79.8-12.9-179.856.80000113.9R28 N32R28-C30 PolarHBondContact O-N 3.42Å; R28-C30 VanDerWaalsContact O-N 3.14Å; C30-N32 PolarHBondContact O-N 2.86Å
31Y89.1Confident91.6Very high66 Ų6664.7 Ų64.726%0.25934%0.338SS..  trans-92.8107.8-176.7-170.8-105.3000111R24 D26 R28 P29 N40R24-Y31 HydrophobicContact CB-CE1 4.15Å; D26-Y31 HydrophobicContact CB-CD1 3.87Å; D26-Y31 HydrophobicContact CB-CE1 4.32Å; D26-Y31 HydrophobicContact CB-CG 4.22Å; R28-Y31 PolarHBondContact O-N 2.83Å; R28-Y31 VanDerWaalsContact O-N 3.11Å; P29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-N40 HydrophobicContact CD1-CB 3.46Å; Y31-N40 VanDerWaalsContact CD1-CB 3.46Å; Y31-N40 HydrophobicContact CE1-CB 3.92Å; Y31-N40 VanDerWaalsContact O-CB 3.31Å; Y31-N40 WeakPolarHBondContact O-CB 3.31Å; Y31-N40 PolarHBondContact O-N 2.81Å
32N91.9Very high91.6Very high82 Ų8266.4 Ų66.444%0.43934%0.344SS..BIsolated β-bridgetrans-93.1147.5172.5-69.5-19.4000110.5C30C30-N32 PolarHBondContact O-N 2.86Å
33H91Very high91.5Very high5 Ų563.5 Ų63.52%0.02333%0.326CS..  trans-72.6130.2174.117975.6000109.6T22 T35 N37 V38 V43T22-H33 PolarHBondContact O-CE1 2.98Å; T22-H33 PolarHBondContact O-ND1 3.09Å; H33-T35 VanDerWaalsContact C-N 3.29Å; H33-T35 PolarHBondContact CD2-N 3.06Å; H33-T35 WeakPolarHBondContact NE2-CB 3.38Å; H33-T35 PolarHBondContact O-N 3.14Å; H33-N37 PolarHBondContact O-N 2.86Å; H33-V38 PolarHBondContact N-O 3.08Å; H33-V43 HydrophobicContact CB-CG2 4.22Å
34P89.9Confident91.5Very high95 Ų9563.5 Ų63.562%0.61733%0.326SS*.THydrogen-bonded Turntrans-60.3-30.7-169.422-35.2000114.7
35T89.4Confident91.6Very high78 Ų7861.4 Ų61.448%0.47932%0.32SS..THydrogen-bonded Turntrans-92.2-30.1-173.4-49.40000114.2K14 H33K14-T35 HydrophobicContact CD-CG2 4.48Å; H33-T35 VanDerWaalsContact C-N 3.29Å; H33-T35 PolarHBondContact CD2-N 3.06Å; H33-T35 WeakPolarHBondContact NE2-CB 3.38Å; H33-T35 PolarHBondContact O-N 3.14Å
36I88.4Confident91.7Very high14 Ų1459.8 Ų59.87%0.07231%0.312CS..THydrogen-bonded Turntrans-107.4-11.8-168.1-50.1-179000110.8I11 K14 L21 V38I11-I36 HydrophobicContact CG1-CG2 4.48Å; K14-I36 HydrophobicContact CB-CD1 3.72Å; K14-I36 HydrophobicContact CB-CG1 4.06Å; K14-I36 HydrophobicContact CD-CG1 4.48Å; K14-I36 HydrophobicContact CG-CD1 4.09Å; K14-I36 HydrophobicContact CG-CG1 3.87Å; K14-I36 HydrophobicContact CG-CG2 4.46Å; L21-I36 HydrophobicContact CD1-CD1 3.85Å; L21-I36 HydrophobicContact CD2-CD1 4.35Å; I36-V38 HydrophobicContact CG2-CB 4.09Å; I36-V38 HydrophobicContact CG2-CG2 3.73Å; I36-V38 PolarHBondContact O-N 3.12Å; I36-V38 VanDerWaalsContact O-N 3.09Å
37N89.5Confident91.8Very high135 Ų13559.2 Ų59.272%0.72231%0.309SS*.  trans52.727.2-173.6-70.4-22.2000113.7H33H33-N37 PolarHBondContact O-N 2.86Å
38V92.2Very high92.1Very high18 Ų1861.2 Ų61.211%0.10931%0.307CS..SBendtrans-108.9148.6175.7172.10000108.9T7 I11 H33 I36 N40 Y42T7-V38 HydrophobicContact CG2-CB 4.4Å; T7-V38 HydrophobicContact CG2-CG1 3.45Å; T7-V38 VanDerWaalsContact CG2-CG1 3.45Å; T7-V38 HydrophobicContact CG2-CG2 3.95Å; I11-V38 HydrophobicContact CD1-CG1 4.33Å; H33-V38 PolarHBondContact N-O 3.08Å; I36-V38 HydrophobicContact CG2-CB 4.09Å; I36-V38 HydrophobicContact CG2-CG2 3.73Å; I36-V38 PolarHBondContact O-N 3.12Å; I36-V38 VanDerWaalsContact O-N 3.09Å; V38-N40 PolarHBondContact O-N 3.03Å; V38-Y42 HydrophobicContact CG1-CD2 3.78Å; V38-Y42 HydrophobicContact CG1-CG 4.33Å
39R93.1Very high92.2Very high123 Ų12356.5 Ų56.546%0.46430%0.297SS..BIsolated β-bridgetrans-51.9128.7173.8-70.3-178.5-177.1160.4-0.5110.3L41 Y42R39-L41 PolarHBondContact O-N 2.78Å; R39-L41 VanDerWaalsContact O-N 3.16Å; R39-Y42 HydrophobicContact CB-CD1 4.45Å; R39-Y42 HydrophobicContact CB-CD2 3.96Å; R39-Y42 HydrophobicContact CB-CE2 4.17Å; R39-Y42 HydrophobicContact CB-CG 4.14Å; R39-Y42 HydrophobicContact CG-CE2 4.39Å; R39-Y42 PolarHBondContact NH1-OH 3.28Å; R39-Y42 WeakPolarHBondContact O-CB 3.44Å; R39-Y42 PolarHBondContact O-N 3.41Å
40N94.3Very high92.7Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-61.3-31.5-173.9-176.462.2000113.2A23 R24 D26 Y31 V38 Y42 V43 I44A23-N40 WeakPolarHBondContact CB-OD1 3.37Å; R24-N40 PolarHBondContact O-ND2 2.81Å; D26-N40 PolarHBondContact O-ND2 2.97Å; Y31-N40 HydrophobicContact CD1-CB 3.46Å; Y31-N40 VanDerWaalsContact CD1-CB 3.46Å; Y31-N40 HydrophobicContact CE1-CB 3.92Å; Y31-N40 VanDerWaalsContact O-CB 3.31Å; Y31-N40 WeakPolarHBondContact O-CB 3.31Å; Y31-N40 PolarHBondContact O-N 2.81Å; V38-N40 PolarHBondContact O-N 3.03Å; N40-Y42 VanDerWaalsContact C-N 3.27Å; N40-Y42 PolarHBondContact O-N 3.15Å; N40-V43 WeakPolarHBondContact O-CB 3.49Å; N40-V43 PolarHBondContact O-N 2.73Å; N40-I44 WeakPolarHBondContact ND2-CD1 3.37Å; N40-I44 WeakPolarHBondContact O-CG1 3.27Å; N40-I44 PolarHBondContact O-N 3.33Å
41L94.2Very high93.3Very high48 Ų4851 Ų5125%0.25125%0.251SS..Hα-helixtrans-56-41.2173-177.1150.6000112.3M1 R39 V43 I44 K45M1-L41 HydrophobicContact CE-CD2 3.55Å; M1-L41 HydrophobicContact SD-CD2 3.47Å; M1-L41 WeakPolarHBondContact SD-CD2 3.23Å; R39-L41 PolarHBondContact O-N 2.78Å; R39-L41 VanDerWaalsContact O-N 3.16Å; L41-V43 VanDerWaalsContact C-N 3.34Å; L41-I44 PolarHBondContact O-N 3.11Å; L41-K45 HydrophobicContact CD2-CG 4.05Å; L41-K45 HydrophobicContact CG-CG 4.4Å; L41-K45 WeakPolarHBondContact O-CB 3.43Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 2.88Å; L41-K45 PolarHBondContact O-N 3.46Å
42Y94.7Very high93.6Very high47 Ų4752.4 Ų52.418%0.18427%0.27CS..Hα-helixtrans-65.8-40.3-179.5-60.9-12.6000110.9M1 L3 T7 V38 R39 N40 T46M1-Y42 HydrophobicContact CE-CD1 3.37Å; M1-Y42 HydrophobicContact CE-CE1 3.24Å; M1-Y42 HydrophobicContact SD-CD1 4.15Å; L3-Y42 HydrophobicContact CD2-CD1 3.43Å; L3-Y42 VanDerWaalsContact CD2-CD1 3.43Å; L3-Y42 HydrophobicContact CD2-CD2 3.94Å; L3-Y42 HydrophobicContact CD2-CE1 3.95Å; L3-Y42 HydrophobicContact CD2-CE2 4.36Å; L3-Y42 HydrophobicContact CD2-CG 3.43Å; L3-Y42 VanDerWaalsContact CD2-CG 3.43Å; T7-Y42 HydrophobicContact CG2-CD2 3.82Å; T7-Y42 HydrophobicContact CG2-CE2 4.47Å; V38-Y42 HydrophobicContact CG1-CD2 3.78Å; V38-Y42 HydrophobicContact CG1-CG 4.33Å; R39-Y42 HydrophobicContact CB-CD1 4.45Å; R39-Y42 HydrophobicContact CB-CD2 3.96Å; R39-Y42 HydrophobicContact CB-CE2 4.17Å; R39-Y42 HydrophobicContact CB-CG 4.14Å; R39-Y42 HydrophobicContact CG-CE2 4.39Å; R39-Y42 PolarHBondContact NH1-OH 3.28Å; R39-Y42 WeakPolarHBondContact O-CB 3.44Å; R39-Y42 PolarHBondContact O-N 3.41Å; N40-Y42 VanDerWaalsContact C-N 3.27Å; N40-Y42 PolarHBondContact O-N 3.15Å; Y42-T46 VanDerWaalsContact O-CB 3.25Å; Y42-T46 WeakPolarHBondContact O-CB 3.5Å; Y42-T46 PolarHBondContact O-N 2.94Å; Y42-T46 PolarHBondContact O-OG1 3.37Å
43V95.3Very high93.8Very high0 Ų054.9 Ų54.90%027%0.274CS..Hα-helixtrans-60.2-53.1174.2-178.80000110.6I11 L21 A23 H33 N40 L41 K45 T46 M47 W67I11-V43 HydrophobicContact CD1-CG2 4.22Å; I11-V43 HydrophobicContact CG1-CG2 4.29Å; L21-V43 HydrophobicContact CD2-CG1 3.48Å; L21-V43 VanDerWaalsContact CD2-CG1 3.48Å; L21-V43 HydrophobicContact CG-CG1 4.38Å; A23-V43 HydrophobicContact CB-CG1 4.34Å; H33-V43 HydrophobicContact CB-CG2 4.22Å; N40-V43 WeakPolarHBondContact O-CB 3.49Å; N40-V43 PolarHBondContact O-N 2.73Å; L41-V43 VanDerWaalsContact C-N 3.34Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.1Å; V43-T46 PolarHBondContact O-N 3.16Å; V43-M47 HydrophobicContact CG1-CG 4.2Å; V43-M47 WeakPolarHBondContact O-CB 3.45Å; V43-M47 VanDerWaalsContact O-CG 3.32Å; V43-M47 WeakPolarHBondContact O-CG 3.29Å; V43-M47 PolarHBondContact O-N 3.35Å; V43-W67 HydrophobicContact CG1-CZ3 4.14Å
44I95.2Very high94.1Very high3 Ų356.9 Ų56.92%0.01530%0.295CS..Hα-helixtrans-57.9-45.8-178.8-65.2165.9000111.5A23 N40 L41 R48 Y65 W67A23-I44 HydrophobicContact CB-CG1 4.25Å; N40-I44 WeakPolarHBondContact ND2-CD1 3.37Å; N40-I44 WeakPolarHBondContact O-CG1 3.27Å; N40-I44 PolarHBondContact O-N 3.33Å; L41-I44 PolarHBondContact O-N 3.11Å; I44-R48 VanDerWaalsContact O-CB 3.25Å; I44-R48 WeakPolarHBondContact O-CB 3.19Å; I44-R48 PolarHBondContact O-N 3.39Å; I44-Y65 HydrophobicContact CD1-CD2 4.4Å; I44-Y65 HydrophobicContact CD1-CE2 4.03Å; I44-Y65 HydrophobicContact CG1-CD2 4.1Å; I44-Y65 HydrophobicContact CG1-CE2 4.04Å; I44-Y65 HydrophobicContact CG2-CE2 3.94Å; I44-W67 HydrophobicContact CG1-CH2 4.24Å
45K95.3Very high94.4Very high83 Ų8355 Ų5536%0.36128%0.276SS..Hα-helixtrans-69.8-36-178.5-64.9-63.1-178178.50112.1M1 L41 V43 S49M1-K45 HydrophobicContact CB-CB 4.42Å; M1-K45 HydrophobicContact SD-CB 3.99Å; M1-K45 HydrophobicContact SD-CG 3.88Å; L41-K45 HydrophobicContact CD2-CG 4.05Å; L41-K45 HydrophobicContact CG-CG 4.4Å; L41-K45 WeakPolarHBondContact O-CB 3.43Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 2.88Å; L41-K45 PolarHBondContact O-N 3.46Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.1Å; K45-S49 PolarHBondContact O-N 3.09Å
46T95.8Very high94.8Very high10 Ų1051.6 Ų51.66%0.06126%0.255CS..Hα-helixtrans-67-48.6176-56.30000110.9L3 I11 F12 Y42 V43 R48 S49 L50L3-T46 WeakPolarHBondContact CD1-OG1 3.49Å; I11-T46 HydrophobicContact CD1-CG2 4.49Å; I11-T46 HydrophobicContact CG2-CG2 4.14Å; F12-T46 HydrophobicContact CD1-CG2 4.25Å; F12-T46 HydrophobicContact CE1-CG2 3.5Å; F12-T46 HydrophobicContact CZ-CG2 4.19Å; Y42-T46 VanDerWaalsContact O-CB 3.25Å; Y42-T46 WeakPolarHBondContact O-CB 3.5Å; Y42-T46 PolarHBondContact O-N 2.94Å; Y42-T46 PolarHBondContact O-OG1 3.37Å; V43-T46 PolarHBondContact O-N 3.16Å; T46-R48 VanDerWaalsContact C-N 3.35Å; T46-R48 PolarHBondContact O-N 3.18Å; T46-S49 VanDerWaalsContact O-CB 3.31Å; T46-S49 WeakPolarHBondContact O-CB 3.3Å; T46-S49 PolarHBondContact O-N 3.45Å; T46-S49 VanDerWaalsContact O-N 3.12Å; T46-L50 PolarHBondContact O-N 3.36Å; T46-L50 VanDerWaalsContact O-N 3.1Å
47M95.9Very high95.2Very high1 Ų159.7 Ų59.71%0.00529%0.285CS..Hα-helixtrans-66.8-35.2179.6-65.5-57.4-73.900112.6V15 L21 V43 S49 L50 K51 V56 W67V15-M47 HydrophobicContact CG2-CE 4.1Å; V15-M47 HydrophobicContact CG2-SD 3.72Å; L21-M47 HydrophobicContact CB-CE 4.21Å; L21-M47 HydrophobicContact CD2-CE 4.32Å; L21-M47 HydrophobicContact CD2-CG 3.95Å; L21-M47 HydrophobicContact CD2-SD 3.94Å; V43-M47 HydrophobicContact CG1-CG 4.2Å; V43-M47 WeakPolarHBondContact O-CB 3.45Å; V43-M47 VanDerWaalsContact O-CG 3.32Å; V43-M47 WeakPolarHBondContact O-CG 3.29Å; V43-M47 PolarHBondContact O-N 3.35Å; M47-S49 VanDerWaalsContact C-N 3.29Å; M47-S49 PolarHBondContact O-N 2.71Å; M47-L50 PolarHBondContact O-N 3.34Å; M47-L50 HydrophobicContact SD-CD1 3.94Å; M47-K51 PolarHBondContact O-N 3.25Å; M47-V56 HydrophobicContact CE-CG1 3.88Å; M47-V56 HydrophobicContact CE-CG2 4.08Å; M47-W67 HydrophobicContact CB-CD2 3.68Å; M47-W67 HydrophobicContact CB-CE3 4.03Å; M47-W67 HydrophobicContact CB-CG 4.27Å; M47-W67 HydrophobicContact CB-CH2 3.83Å; M47-W67 HydrophobicContact CB-CZ2 3.48Å; M47-W67 VanDerWaalsContact CB-CZ2 3.48Å; M47-W67 HydrophobicContact CB-CZ3 4.09Å; M47-W67 HydrophobicContact CE-CB 3.34Å; M47-W67 HydrophobicContact CE-CD2 3.71Å; M47-W67 HydrophobicContact CE-CE3 3.97Å; M47-W67 HydrophobicContact CE-CG 3.44Å; M47-W67 VanDerWaalsContact CE-CG 3.44Å; M47-W67 HydrophobicContact CG-CD2 3.84Å; M47-W67 HydrophobicContact CG-CE3 3.73Å; M47-W67 HydrophobicContact CG-CG 4.49Å; M47-W67 HydrophobicContact CG-CH2 4.03Å; M47-W67 HydrophobicContact CG-CZ2 4.16Å; M47-W67 HydrophobicContact CG-CZ3 3.82Å
48R95.6Very high95.6Very high121 Ų12155.7 Ų55.746%0.45726%0.262SS..Hα-helixtrans-59.2-40.8171.3-176.7179.2-62.5-174.4-3.3112.1I44 T46 K51 S52I44-R48 VanDerWaalsContact O-CB 3.25Å; I44-R48 WeakPolarHBondContact O-CB 3.19Å; I44-R48 PolarHBondContact O-N 3.39Å; T46-R48 VanDerWaalsContact C-N 3.35Å; T46-R48 PolarHBondContact O-N 3.18Å; R48-K51 PolarHBondContact O-N 3.49Å; R48-S52 PolarHBondContact O-N 2.78Å; R48-S52 VanDerWaalsContact O-N 3.11Å
49S95.3Very high95.8Very high48 Ų4860.2 Ų60.234%0.33628%0.282SS..Hα-helixtrans-62.9-45.4175.1-178.70000111.2K45 T46 M47 K51 S52K45-S49 PolarHBondContact O-N 3.09Å; T46-S49 VanDerWaalsContact O-CB 3.31Å; T46-S49 WeakPolarHBondContact O-CB 3.3Å; T46-S49 PolarHBondContact O-N 3.45Å; T46-S49 VanDerWaalsContact O-N 3.12Å; M47-S49 VanDerWaalsContact C-N 3.29Å; M47-S49 PolarHBondContact O-N 2.71Å; S49-K51 PolarHBondContact O-N 3.49Å; S49-S52 PolarHBondContact O-N 3.35Å; S49-S52 PolarHBondContact O-OG 2.85Å
50L96.1Very high96Very high4 Ų459 Ų592%0.02128%0.278CS..Hα-helixtrans-63-41.5178.1-67.4179.6000112.3F12 T46 M47 S52 R53 G54 Y55 V56 Y76F12-L50 HydrophobicContact CD1-CD1 4.29Å; F12-L50 HydrophobicContact CE1-CD1 3.89Å; F12-L50 HydrophobicContact CE1-CD2 4.14Å; F12-L50 HydrophobicContact CE1-CG 4.25Å; F12-L50 HydrophobicContact CZ-CD2 4.42Å; T46-L50 PolarHBondContact O-N 3.36Å; T46-L50 VanDerWaalsContact O-N 3.1Å; M47-L50 PolarHBondContact O-N 3.34Å; M47-L50 HydrophobicContact SD-CD1 3.94Å; L50-S52 PolarHBondContact O-N 3.4Å; L50-R53 PolarHBondContact O-N 3.06Å; L50-G54 PolarHBondContact O-N 2.94Å; L50-Y55 HydrophobicContact CD2-CD2 3.95Å; L50-Y55 PolarHBondContact O-N 2.87Å; L50-Y55 VanDerWaalsContact O-N 3.16Å; L50-V56 HydrophobicContact CB-CB 4.43Å; L50-V56 HydrophobicContact CB-CG2 3.9Å; L50-V56 HydrophobicContact CD1-CG2 4.2Å; L50-Y76 HydrophobicContact CD2-CD1 4.13Å; L50-Y76 HydrophobicContact CD2-CE1 3.77Å
51K96.9Very high96.1Very high89 Ų8961.1 Ų61.139%0.38729%0.293SS..Hα-helixtrans-58.6-45.4174.8171178.8173.8172.90112.4M47 R48 S49 R53 G54 E58M47-K51 PolarHBondContact O-N 3.25Å; R48-K51 PolarHBondContact O-N 3.49Å; S49-K51 PolarHBondContact O-N 3.49Å; K51-R53 PolarHBondContact O-N 2.91Å; K51-R53 VanDerWaalsContact O-N 3.1Å; K51-G54 PolarHBondContact O-N 3.02Å; K51-E58 HydrophobicContact CD-CB 3.67Å; K51-E58 HydrophobicContact CD-CG 4.4Å; K51-E58 WeakPolarHBondContact CD-OE2 3.24Å; K51-E58 WeakPolarHBondContact CE-OE2 3.33Å; K51-E58 IonicContact NZ-OE1 3.42Å; K51-E58 PolarHBondContact NZ-OE1 3.08Å; K51-E58 IonicContact NZ-OE2 2.77Å; K51-E58 PolarHBondContact NZ-OE2 2.79Å
52S96.6Very high96.2Very high96 Ų9670 Ų7067%0.67132%0.323SS*.Hα-helixtrans-60.9-22.2-178.267.30000113.5R48 S49 L50R48-S52 PolarHBondContact O-N 2.78Å; R48-S52 VanDerWaalsContact O-N 3.11Å; S49-S52 PolarHBondContact O-N 3.35Å; S49-S52 PolarHBondContact O-OG 2.85Å; L50-S52 PolarHBondContact O-N 3.4Å
53R95.8Very high96.3Very high135 Ų13575.1 Ų75.151%0.50934%0.342SS..THydrogen-bonded Turntrans-94.9-0.9177-60.2177.4-174.4-179.7-2.4113.5L50 K51 Y55 Y76L50-R53 PolarHBondContact O-N 3.06Å; K51-R53 PolarHBondContact O-N 2.91Å; K51-R53 VanDerWaalsContact O-N 3.1Å; R53-Y55 HydrophobicContact CB-CD2 3.68Å; R53-Y55 HydrophobicContact CB-CE2 3.56Å; R53-Y55 HydrophobicContact CB-CG 4.36Å; R53-Y55 HydrophobicContact CG-CE2 4.24Å; R53-Y76 PolarHBondContact NH1-OH 3.14Å
54G96.6Very high96.3Very high46 Ų4676.5 Ų76.547%0.47435%0.351SS..THydrogen-bonded Turntrans83.12.8-17900000115.6L50 K51 V56 T70L50-G54 PolarHBondContact O-N 2.94Å; K51-G54 PolarHBondContact O-N 3.02Å; G54-V56 VanDerWaalsContact C-N 3.3Å; G54-V56 PolarHBondContact O-N 2.88Å; G54-T70 PolarHBondContact O-OG1 2.68Å
55Y97Very high96.4Very high56 Ų5677.3 Ų77.322%0.2235%0.353CS..SBendtrans-73.7-20.5-177-61.4-40.8000114.1L50 R53 T70 D72 G73 Y76L50-Y55 HydrophobicContact CD2-CD2 3.95Å; L50-Y55 PolarHBondContact O-N 2.87Å; L50-Y55 VanDerWaalsContact O-N 3.16Å; R53-Y55 HydrophobicContact CB-CD2 3.68Å; R53-Y55 HydrophobicContact CB-CE2 3.56Å; R53-Y55 HydrophobicContact CB-CG 4.36Å; R53-Y55 HydrophobicContact CG-CE2 4.24Å; Y55-T70 PolarHBondContact O-N 3Å; Y55-T70 VanDerWaalsContact O-N 3.08Å; Y55-T70 PolarHBondContact O-OG1 3.45Å; Y55-D72 HydrophobicContact CD1-CB 4.47Å; Y55-G73 WeakPolarHBondContact O-CA 3.47Å; Y55-Y76 HydrophobicContact CD1-CG 4.33Å; Y55-Y76 AromaticContact CD2-CD1 3.53Å; Y55-Y76 HydrophobicContact CD2-CD1 3.53Å; Y55-Y76 HydrophobicContact CD2-CD2 4.47Å; Y55-Y76 AromaticContact CD2-CE1 3.96Å; Y55-Y76 HydrophobicContact CD2-CE1 3.96Å; Y55-Y76 AromaticContact CD2-CG 3.81Å; Y55-Y76 HydrophobicContact CD2-CG 3.81Å; Y55-Y76 HydrophobicContact CE1-CD2 4.33Å; Y55-Y76 AromaticContact CE1-CG 3.99Å; Y55-Y76 HydrophobicContact CE1-CG 3.99Å; Y55-Y76 AromaticContact CE2-CD1 3.49Å; Y55-Y76 HydrophobicContact CE2-CD1 3.49Å; Y55-Y76 VanDerWaalsContact CE2-CD1 3.49Å; Y55-Y76 AromaticContact CE2-CD2 3.63Å; Y55-Y76 HydrophobicContact CE2-CD2 3.63Å; Y55-Y76 AromaticContact CE2-CE1 3.76Å; Y55-Y76 HydrophobicContact CE2-CE1 3.76Å; Y55-Y76 AromaticContact CE2-CE2 3.91Å; Y55-Y76 HydrophobicContact CE2-CE2 3.91Å; Y55-Y76 AromaticContact CE2-CG 3.41Å; Y55-Y76 HydrophobicContact CE2-CG 3.41Å; Y55-Y76 VanDerWaalsContact CE2-CG 3.41Å; Y55-Y76 AromaticContact CE2-CZ 3.97Å; Y55-Y76 HydrophobicContact CG-CD1 4.17Å; Y55-Y76 HydrophobicContact CG-CG 4.26Å; Y55-Y76 AromaticContact CZ-CD2 3.56Å; Y55-Y76 AromaticContact CZ-CG 3.52Å; Y55-Y76 WeakPolarHBondContact OH-CD2 3.49Å
56V97.5Very high96.5Very high7 Ų777.5 Ų77.54%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-138.5137.7-174.5174.10000109.8M47 L50 G54 W67 F68 L69M47-V56 HydrophobicContact CE-CG1 3.88Å; M47-V56 HydrophobicContact CE-CG2 4.08Å; L50-V56 HydrophobicContact CB-CB 4.43Å; L50-V56 HydrophobicContact CB-CG2 3.9Å; L50-V56 HydrophobicContact CD1-CG2 4.2Å; G54-V56 VanDerWaalsContact C-N 3.3Å; G54-V56 PolarHBondContact O-N 2.88Å; V56-W67 HydrophobicContact CG1-CB 3.51Å; V56-W67 HydrophobicContact CG1-CG 3.83Å; V56-F68 CarbonylContact C-O 3.58Å; V56-F68 WeakPolarHBondContact CA-O 3.49Å; V56-F68 WeakPolarHBondContact CG1-O 3.24Å; V56-L69 HydrophobicContact CG2-CD1 3.99Å
57R97Very high96.6Very high184 Ų18477.1 Ų77.169%0.69435%0.35SS*.EExtended strand (participates in β ladder)trans-89.5132.9168-63.6-179.269.81721.8109.8W67 F68 T70R57-W67 CarbonylContact O-C 3.59Å; R57-W67 VanDerWaalsContact O-CA 3.32Å; R57-W67 WeakPolarHBondContact O-CA 3.47Å; R57-F68 HydrophobicContact CB-CB 4.39Å; R57-F68 PolarHBondContact N-O 3.3Å; R57-F68 PolarHBondContact O-N 3.12Å; R57-T70 HydrophobicContact CG-CG2 3.77Å
58E96.9Very high96.6Very high50 Ų5081.8 Ų81.823%0.23437%0.37CS..EExtended strand (participates in β ladder)trans-111131.6178.2179.9-171.8140.600110.5K51 Y65 Y66K51-E58 HydrophobicContact CD-CB 3.67Å; K51-E58 HydrophobicContact CD-CG 4.4Å; K51-E58 WeakPolarHBondContact CD-OE2 3.24Å; K51-E58 WeakPolarHBondContact CE-OE2 3.33Å; K51-E58 IonicContact NZ-OE1 3.42Å; K51-E58 PolarHBondContact NZ-OE1 3.08Å; K51-E58 IonicContact NZ-OE2 2.77Å; K51-E58 PolarHBondContact NZ-OE2 2.79Å; E58-Y65 HydrophobicContact CG-CD1 4.25Å; E58-Y65 WeakPolarHBondContact OE1-CD1 3.46Å; E58-Y65 WeakPolarHBondContact OE1-CE1 3.47Å; E58-Y66 CarbonylContact C-O 3.58Å; E58-Y66 WeakPolarHBondContact CA-O 3.35Å
59Q97.2Very high96.6Very high113 Ų11377.4 Ų77.453%0.52836%0.356SS..EExtended strand (participates in β ladder)trans-113.9128.8162.7-17963.943.500108.1Y66 F68Q59-Y66 PolarHBondContact N-O 2.7Å; Q59-Y66 WeakPolarHBondContact O-CB 3.44Å; Q59-Y66 PolarHBondContact O-N 3.15Å; Q59-F68 HydrophobicContact CB-CE2 4.26Å
60Y97.2Very high96.6Very high99 Ų9976.5 Ų76.539%0.38835%0.348SS..EExtended strand (participates in β ladder)trans-111.3126.5176.5-175.9-112.7000109.7N25 R63 T64 Y65N25-Y60 HydrophobicContact CB-CE2 4.07Å; N25-Y60 PolarHBondContact ND2-OH 3.23Å; Y60-R63 WeakPolarHBondContact OH-CA 3.31Å; Y60-T64 VanDerWaalsContact CD2-O 3.29Å; Y60-T64 WeakPolarHBondContact CD2-O 3.47Å; Y60-Y65 AromaticContact CD2-CD1 3.44Å; Y60-Y65 HydrophobicContact CD2-CD1 3.44Å; Y60-Y65 VanDerWaalsContact CD2-CD1 3.44Å; Y60-Y65 HydrophobicContact CD2-CD2 4.49Å; Y60-Y65 AromaticContact CD2-CE1 3.51Å; Y60-Y65 HydrophobicContact CD2-CE1 3.51Å; Y60-Y65 AromaticContact CD2-CG 3.97Å; Y60-Y65 HydrophobicContact CD2-CG 3.97Å; Y60-Y65 HydrophobicContact CE2-CD1 4.02Å; Y60-Y65 HydrophobicContact CE2-CD2 4.4Å; Y60-Y65 AromaticContact CE2-CE1 3.76Å; Y60-Y65 HydrophobicContact CE2-CE1 3.76Å; Y60-Y65 HydrophobicContact CE2-CE2 4.17Å; Y60-Y65 HydrophobicContact CE2-CG 4.32Å; Y60-Y65 AromaticContact CE2-CZ 3.84Å; Y60-Y65 HydrophobicContact CG-CD1 4.34Å; Y60-Y65 HydrophobicContact CG-CE1 4.32Å
61S97Very high96.6Very high44 Ų4481.3 Ų81.331%0.30838%0.378SS..EExtended strand (participates in β ladder)trans-153.4140.8179.7-1640000110.5R63 T64S61-R63 VanDerWaalsContact C-N 3.31Å; S61-R63 PolarHBondContact O-N 3.47Å; S61-T64 PolarHBondContact N-O 2.73Å; S61-T64 WeakPolarHBondContact O-CA 3.3Å; S61-T64 WeakPolarHBondContact O-CB 3.49Å; S61-T64 PolarHBondContact O-N 3.02Å
62W95.9Very high96.5Very high234 Ų23482.2 Ų82.289%0.88639%0.387SS*.THydrogen-bonded Turntrans4847.9175.6-56.197.7000114.3T64W62-T64 PolarHBondContact O-N 3.5Å; W62-T64 VanDerWaalsContact O-N 3.15Å; W62-T64 PolarHBondContact O-OG1 3.49Å
63R95.6Very high96.4Very high154 Ų15477.6 Ų77.658%0.58136%0.355SS*.THydrogen-bonded Turntrans55.827.3-175.6-60177.264.2173.21.7114R24 N25 Y60 S61R24-R63 CarbonylContact C-O 3.58Å; N25-R63 WeakPolarHBondContact CB-O 3.44Å; N25-R63 PolarHBondContact N-O 3.28Å; Y60-R63 WeakPolarHBondContact OH-CA 3.31Å; S61-R63 VanDerWaalsContact C-N 3.31Å; S61-R63 PolarHBondContact O-N 3.47Å
64T96.3Very high96.4Very high30 Ų3071.9 Ų71.918%0.18434%0.335CS..EExtended strand (participates in β ladder)trans-129.5133.1179.6-55.30000109.3A23 Y60 S61 W62 Y66A23-T64 WeakPolarHBondContact O-CA 3.33Å; Y60-T64 VanDerWaalsContact CD2-O 3.29Å; Y60-T64 WeakPolarHBondContact CD2-O 3.47Å; S61-T64 PolarHBondContact N-O 2.73Å; S61-T64 WeakPolarHBondContact O-CA 3.3Å; S61-T64 WeakPolarHBondContact O-CB 3.49Å; S61-T64 PolarHBondContact O-N 3.02Å; W62-T64 PolarHBondContact O-N 3.5Å; W62-T64 VanDerWaalsContact O-N 3.15Å; W62-T64 PolarHBondContact O-OG1 3.49Å; T64-Y66 HydrophobicContact CG2-CE1 4.34Å; T64-Y66 HydrophobicContact CG2-CE2 3.91Å
65Y97.1Very high96.3Very high19 Ų1973.2 Ų73.28%0.07533%0.331CS..EExtended strand (participates in β ladder)trans-88.5132.9171.9-59.8-79.3000109.2T22 A23 N25 I44 E58 Y60 W67T22-Y65 CarbonylContact C-O 3.57Å; T22-Y65 VanDerWaalsContact CA-O 3.27Å; T22-Y65 WeakPolarHBondContact CA-O 3.25Å; A23-Y65 PolarHBondContact N-O 3.2Å; A23-Y65 PolarHBondContact O-N 3.09Å; N25-Y65 HydrophobicContact CB-CD2 4.24Å; N25-Y65 HydrophobicContact CB-CE2 3.54Å; N25-Y65 PolarHBondContact ND2-OH 3.4Å; N25-Y65 PolarHBondContact OD1-OH 3.21Å; I44-Y65 HydrophobicContact CD1-CD2 4.4Å; I44-Y65 HydrophobicContact CD1-CE2 4.03Å; I44-Y65 HydrophobicContact CG1-CD2 4.1Å; I44-Y65 HydrophobicContact CG1-CE2 4.04Å; I44-Y65 HydrophobicContact CG2-CE2 3.94Å; E58-Y65 HydrophobicContact CG-CD1 4.25Å; E58-Y65 WeakPolarHBondContact OE1-CD1 3.46Å; E58-Y65 WeakPolarHBondContact OE1-CE1 3.47Å; Y60-Y65 AromaticContact CD2-CD1 3.44Å; Y60-Y65 HydrophobicContact CD2-CD1 3.44Å; Y60-Y65 VanDerWaalsContact CD2-CD1 3.44Å; Y60-Y65 HydrophobicContact CD2-CD2 4.49Å; Y60-Y65 AromaticContact CD2-CE1 3.51Å; Y60-Y65 HydrophobicContact CD2-CE1 3.51Å; Y60-Y65 AromaticContact CD2-CG 3.97Å; Y60-Y65 HydrophobicContact CD2-CG 3.97Å; Y60-Y65 HydrophobicContact CE2-CD1 4.02Å; Y60-Y65 HydrophobicContact CE2-CD2 4.4Å; Y60-Y65 AromaticContact CE2-CE1 3.76Å; Y60-Y65 HydrophobicContact CE2-CE1 3.76Å; Y60-Y65 HydrophobicContact CE2-CE2 4.17Å; Y60-Y65 HydrophobicContact CE2-CG 4.32Å; Y60-Y65 AromaticContact CE2-CZ 3.84Å; Y60-Y65 HydrophobicContact CG-CD1 4.34Å; Y60-Y65 HydrophobicContact CG-CE1 4.32Å; Y65-W67 VanDerWaalsContact CB-CH2 3.43Å; Y65-W67 HydrophobicContact CD1-CZ2 4.04Å; Y65-W67 AromaticContact CD2-CH2 4Å; Y65-W67 HydrophobicContact CD2-CH2 4Å; Y65-W67 HydrophobicContact CD2-CZ2 4.07Å; Y65-W67 AromaticContact CG-CH2 3.84Å; Y65-W67 HydrophobicContact CG-CH2 3.84Å; Y65-W67 AromaticContact CG-CZ2 3.56Å; Y65-W67 HydrophobicContact CG-CZ2 3.56Å
66Y97.3Very high96.2Very high87 Ų8772.8 Ų72.834%0.34133%0.329SS..EExtended strand (participates in β ladder)trans-117.6122.9171-59-91.6000107.3T22 E58 Q59 T64T22-Y66 HydrophobicContact CG2-CD1 3.68Å; T22-Y66 HydrophobicContact CG2-CE1 4.08Å; E58-Y66 CarbonylContact C-O 3.58Å; E58-Y66 WeakPolarHBondContact CA-O 3.35Å; Q59-Y66 PolarHBondContact N-O 2.7Å; Q59-Y66 WeakPolarHBondContact O-CB 3.44Å; Q59-Y66 PolarHBondContact O-N 3.15Å; T64-Y66 HydrophobicContact CG2-CE1 4.34Å; T64-Y66 HydrophobicContact CG2-CE2 3.91Å
67W97.5Very high96.1Very high3 Ų372.6 Ų72.61%0.01133%0.328CS..EExtended strand (participates in β ladder)trans-118.2132.5-178.6-69.5-64.4000110.7V20 L21 A23 V43 I44 M47 V56 R57 Y65V20-W67 WeakPolarHBondContact CA-O 3.32Å; V20-W67 WeakPolarHBondContact CG1-O 3.3Å; L21-W67 HydrophobicContact CB-CE3 4.14Å; L21-W67 HydrophobicContact CD2-CE3 4.35Å; L21-W67 HydrophobicContact CD2-CZ3 4.47Å; L21-W67 HydrophobicContact CG-CE3 4.21Å; L21-W67 HydrophobicContact CG-CZ3 4.49Å; L21-W67 PolarHBondContact N-O 3.41Å; L21-W67 VanDerWaalsContact N-O 3.08Å; L21-W67 PolarHBondContact O-N 3.1Å; A23-W67 HydrophobicContact CB-CH2 3.69Å; A23-W67 HydrophobicContact CB-CZ3 3.44Å; A23-W67 VanDerWaalsContact CB-CZ3 3.44Å; V43-W67 HydrophobicContact CG1-CZ3 4.14Å; I44-W67 HydrophobicContact CG1-CH2 4.24Å; M47-W67 HydrophobicContact CB-CD2 3.68Å; M47-W67 HydrophobicContact CB-CE3 4.03Å; M47-W67 HydrophobicContact CB-CG 4.27Å; M47-W67 HydrophobicContact CB-CH2 3.83Å; M47-W67 HydrophobicContact CB-CZ2 3.48Å; M47-W67 VanDerWaalsContact CB-CZ2 3.48Å; M47-W67 HydrophobicContact CB-CZ3 4.09Å; M47-W67 HydrophobicContact CE-CB 3.34Å; M47-W67 HydrophobicContact CE-CD2 3.71Å; M47-W67 HydrophobicContact CE-CE3 3.97Å; M47-W67 HydrophobicContact CE-CG 3.44Å; M47-W67 VanDerWaalsContact CE-CG 3.44Å; M47-W67 HydrophobicContact CG-CD2 3.84Å; M47-W67 HydrophobicContact CG-CE3 3.73Å; M47-W67 HydrophobicContact CG-CG 4.49Å; M47-W67 HydrophobicContact CG-CH2 4.03Å; M47-W67 HydrophobicContact CG-CZ2 4.16Å; M47-W67 HydrophobicContact CG-CZ3 3.82Å; V56-W67 HydrophobicContact CG1-CB 3.51Å; V56-W67 HydrophobicContact CG1-CG 3.83Å; R57-W67 CarbonylContact O-C 3.59Å; R57-W67 VanDerWaalsContact O-CA 3.32Å; R57-W67 WeakPolarHBondContact O-CA 3.47Å; Y65-W67 VanDerWaalsContact CB-CH2 3.43Å; Y65-W67 HydrophobicContact CD1-CZ2 4.04Å; Y65-W67 AromaticContact CD2-CH2 4Å; Y65-W67 HydrophobicContact CD2-CH2 4Å; Y65-W67 HydrophobicContact CD2-CZ2 4.07Å; Y65-W67 AromaticContact CG-CH2 3.84Å; Y65-W67 HydrophobicContact CG-CH2 3.84Å; Y65-W67 AromaticContact CG-CZ2 3.56Å; Y65-W67 HydrophobicContact CG-CZ2 3.56Å
68F96.6Very high96Very high98 Ų9865.9 Ų65.943%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-117.2125.3176.8-55.3-84.1000108.9V20 V56 R57 Q59V20-F68 HydrophobicContact CG2-CD1 4Å; V20-F68 HydrophobicContact CG2-CE1 4.41Å; V56-F68 CarbonylContact C-O 3.58Å; V56-F68 WeakPolarHBondContact CA-O 3.49Å; V56-F68 WeakPolarHBondContact CG1-O 3.24Å; R57-F68 HydrophobicContact CB-CB 4.39Å; R57-F68 PolarHBondContact N-O 3.3Å; R57-F68 PolarHBondContact O-N 3.12Å; Q59-F68 HydrophobicContact CB-CE2 4.26Å
69L95.7Very high95.9Very high29 Ų2970.1 Ų70.115%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-70.4137.1178.2-167.463.1000110.2V15 I16 G19 V56 I74 L77V15-L69 HydrophobicContact CG1-CD1 3.95Å; V15-L69 HydrophobicContact CG1-CD2 4.34Å; I16-L69 HydrophobicContact CD1-CD2 3.93Å; G19-L69 VanDerWaalsContact O-CB 3.31Å; G19-L69 WeakPolarHBondContact O-CB 3.5Å; G19-L69 PolarHBondContact O-N 3.22Å; V56-L69 HydrophobicContact CG2-CD1 3.99Å; L69-I74 HydrophobicContact CD2-CB 4.47Å; L69-I74 HydrophobicContact CD2-CG1 3.47Å; L69-I74 VanDerWaalsContact CD2-CG1 3.47Å; L69-I74 HydrophobicContact CG-CG1 3.84Å; L69-L77 HydrophobicContact CD1-CD1 3.78Å; L69-L77 HydrophobicContact CD2-CD1 4.06Å
70T95.9Very high95.7Very high29 Ų2966.4 Ų66.418%0.17831%0.307CS..  trans-94.3164.6174.563.40000110.8G54 Y55 R57 D72 G73 I74G54-T70 PolarHBondContact O-OG1 2.68Å; Y55-T70 PolarHBondContact O-N 3Å; Y55-T70 VanDerWaalsContact O-N 3.08Å; Y55-T70 PolarHBondContact O-OG1 3.45Å; R57-T70 HydrophobicContact CG-CG2 3.77Å; T70-D72 VanDerWaalsContact C-N 3.29Å; T70-D72 PolarHBondContact O-N 3.01Å; T70-G73 WeakPolarHBondContact O-CA 3.27Å; T70-G73 PolarHBondContact O-N 2.95Å; T70-G73 VanDerWaalsContact O-N 3.09Å; T70-G73 PolarHBondContact OG1-N 2.88Å; T70-I74 WeakPolarHBondContact O-CG1 3.38Å; T70-I74 PolarHBondContact O-N 3.03Å
71T94.2Very high95.5Very high105 Ų10563 Ų6364%0.64430%0.295SS*.Hα-helixtrans-56.6-42.4175.8-46.60000112.2G73 I74 N75T71-G73 VanDerWaalsContact C-N 3.32Å; T71-G73 PolarHBondContact O-N 3.21Å; T71-I74 WeakPolarHBondContact O-CB 3.43Å; T71-I74 PolarHBondContact O-N 3.33Å; T71-N75 PolarHBondContact O-N 3.24Å
72D95.5Very high95.4Very high108 Ų10868.8 Ų68.858%0.57832%0.317SS*.Hα-helixtrans-66.1-36.9177-59.3-29.6000111.8Y55 T70 I74 N75 Y76Y55-D72 HydrophobicContact CD1-CB 4.47Å; T70-D72 VanDerWaalsContact C-N 3.29Å; T70-D72 PolarHBondContact O-N 3.01Å; D72-I74 VanDerWaalsContact C-N 3.32Å; D72-I74 PolarHBondContact O-N 3.26Å; D72-N75 PolarHBondContact O-N 3.29Å; D72-Y76 PolarHBondContact O-N 3.44Å
73G95.5Very high95.1Very high0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-64.9-33.8175.300000113.7Y55 T70 T71 Y76 L77Y55-G73 WeakPolarHBondContact O-CA 3.47Å; T70-G73 WeakPolarHBondContact O-CA 3.27Å; T70-G73 PolarHBondContact O-N 2.95Å; T70-G73 VanDerWaalsContact O-N 3.09Å; T70-G73 PolarHBondContact OG1-N 2.88Å; T71-G73 VanDerWaalsContact C-N 3.32Å; T71-G73 PolarHBondContact O-N 3.21Å; G73-Y76 PolarHBondContact O-N 3.39Å; G73-L77 WeakPolarHBondContact O-CB 3.29Å; G73-L77 VanDerWaalsContact O-CG 3.3Å; G73-L77 WeakPolarHBondContact O-CG 3.42Å; G73-L77 PolarHBondContact O-N 2.95Å
74I94.9Very high94.9Very high15 Ų1556.9 Ų56.98%0.07729%0.287CS..Hα-helixtrans-61.6-47.9173.2-66167.9000109.8I16 L69 T70 T71 D72 Y76 L77 R78 P89 L92I16-I74 HydrophobicContact CD1-CB 4.43Å; I16-I74 HydrophobicContact CD1-CG1 4.41Å; I16-I74 HydrophobicContact CD1-CG2 4.07Å; L69-I74 HydrophobicContact CD2-CB 4.47Å; L69-I74 HydrophobicContact CD2-CG1 3.47Å; L69-I74 VanDerWaalsContact CD2-CG1 3.47Å; L69-I74 HydrophobicContact CG-CG1 3.84Å; T70-I74 WeakPolarHBondContact O-CG1 3.38Å; T70-I74 PolarHBondContact O-N 3.03Å; T71-I74 WeakPolarHBondContact O-CB 3.43Å; T71-I74 PolarHBondContact O-N 3.33Å; D72-I74 VanDerWaalsContact C-N 3.32Å; D72-I74 PolarHBondContact O-N 3.26Å; I74-Y76 PolarHBondContact O-N 2.94Å; I74-L77 PolarHBondContact O-N 3.49Å; I74-R78 WeakPolarHBondContact O-CG 3.43Å; I74-R78 PolarHBondContact O-N 3.5Å; I74-P89 HydrophobicContact CD1-CG 3.79Å; I74-P89 HydrophobicContact CG1-CG 4.28Å; I74-L92 HydrophobicContact CD1-CD1 3.97Å
75N94.1Very high94.5Very high74 Ų7460 Ų6040%0.39631%0.31SS..Hα-helixtrans-62.1-45.4179.5-67.4-22.4000111.4T71 D72 L77 R78 E79T71-N75 PolarHBondContact O-N 3.24Å; D72-N75 PolarHBondContact O-N 3.29Å; N75-L77 PolarHBondContact O-N 3.33Å; N75-R78 WeakPolarHBondContact O-CB 3.31Å; N75-R78 PolarHBondContact O-N 2.99Å; N75-E79 PolarHBondContact O-N 3.25Å; N75-E79 VanDerWaalsContact O-N 3.09Å
76Y95.5Very high94Very high47 Ų4765.5 Ų65.518%0.18434%0.34CS..Hα-helixtrans-58.3-45.5176.1177.2-107.3000112.8L50 R53 Y55 D72 G73 I74 R78 E79 V80L50-Y76 HydrophobicContact CD2-CD1 4.13Å; L50-Y76 HydrophobicContact CD2-CE1 3.77Å; R53-Y76 PolarHBondContact NH1-OH 3.14Å; Y55-Y76 HydrophobicContact CD1-CG 4.33Å; Y55-Y76 AromaticContact CD2-CD1 3.53Å; Y55-Y76 HydrophobicContact CD2-CD1 3.53Å; Y55-Y76 HydrophobicContact CD2-CD2 4.47Å; Y55-Y76 AromaticContact CD2-CE1 3.96Å; Y55-Y76 HydrophobicContact CD2-CE1 3.96Å; Y55-Y76 AromaticContact CD2-CG 3.81Å; Y55-Y76 HydrophobicContact CD2-CG 3.81Å; Y55-Y76 HydrophobicContact CE1-CD2 4.33Å; Y55-Y76 AromaticContact CE1-CG 3.99Å; Y55-Y76 HydrophobicContact CE1-CG 3.99Å; Y55-Y76 AromaticContact CE2-CD1 3.49Å; Y55-Y76 HydrophobicContact CE2-CD1 3.49Å; Y55-Y76 VanDerWaalsContact CE2-CD1 3.49Å; Y55-Y76 AromaticContact CE2-CD2 3.63Å; Y55-Y76 HydrophobicContact CE2-CD2 3.63Å; Y55-Y76 AromaticContact CE2-CE1 3.76Å; Y55-Y76 HydrophobicContact CE2-CE1 3.76Å; Y55-Y76 AromaticContact CE2-CE2 3.91Å; Y55-Y76 HydrophobicContact CE2-CE2 3.91Å; Y55-Y76 AromaticContact CE2-CG 3.41Å; Y55-Y76 HydrophobicContact CE2-CG 3.41Å; Y55-Y76 VanDerWaalsContact CE2-CG 3.41Å; Y55-Y76 AromaticContact CE2-CZ 3.97Å; Y55-Y76 HydrophobicContact CG-CD1 4.17Å; Y55-Y76 HydrophobicContact CG-CG 4.26Å; Y55-Y76 AromaticContact CZ-CD2 3.56Å; Y55-Y76 AromaticContact CZ-CG 3.52Å; Y55-Y76 WeakPolarHBondContact OH-CD2 3.49Å; D72-Y76 PolarHBondContact O-N 3.44Å; G73-Y76 PolarHBondContact O-N 3.39Å; I74-Y76 PolarHBondContact O-N 2.94Å; Y76-R78 VanDerWaalsContact C-N 3.31Å; Y76-R78 PolarHBondContact O-N 3.16Å; Y76-E79 PolarHBondContact O-N 3.31Å; Y76-V80 HydrophobicContact CD1-CG2 4.35Å; Y76-V80 HydrophobicContact CD2-CG2 4.19Å; Y76-V80 HydrophobicContact CE1-CG2 3.9Å; Y76-V80 HydrophobicContact CE2-CG2 3.7Å; Y76-V80 HydrophobicContact CG-CG2 4.49Å; Y76-V80 VanDerWaalsContact O-CG2 3.31Å; Y76-V80 WeakPolarHBondContact O-CG2 3.28Å; Y76-V80 PolarHBondContact O-N 3.25Å
77L94.9Very high93.4Very high2 Ų264.5 Ų64.51%0.0134%0.341CS..Hα-helixtrans-67.6-32.2179.8-70177.2000112.3F12 V15 I16 L69 G73 I74 N75 L81F12-L77 HydrophobicContact CB-CD2 3.88Å; F12-L77 HydrophobicContact CD1-CD2 3.83Å; F12-L77 HydrophobicContact CD2-CD2 4.17Å; F12-L77 HydrophobicContact CE1-CD2 4.38Å; F12-L77 HydrophobicContact CG-CD2 3.7Å; V15-L77 HydrophobicContact CB-CD1 4.31Å; V15-L77 HydrophobicContact CG1-CD1 3.83Å; I16-L77 HydrophobicContact CB-CD1 4.25Å; I16-L77 HydrophobicContact CD1-CB 4.17Å; I16-L77 HydrophobicContact CD1-CD1 4.3Å; L69-L77 HydrophobicContact CD1-CD1 3.78Å; L69-L77 HydrophobicContact CD2-CD1 4.06Å; G73-L77 WeakPolarHBondContact O-CB 3.29Å; G73-L77 VanDerWaalsContact O-CG 3.3Å; G73-L77 WeakPolarHBondContact O-CG 3.42Å; G73-L77 PolarHBondContact O-N 2.95Å; I74-L77 PolarHBondContact O-N 3.49Å; N75-L77 PolarHBondContact O-N 3.33Å; L77-L81 VanDerWaalsContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.34Å; L77-L81 PolarHBondContact O-N 2.95Å
78R94.5Very high92.8Very high44 Ų4467.8 Ų67.817%0.16636%0.357CS..Hα-helixtrans-64.6-43.4173.7-73.5169174.5-178.1-6.6112.1I74 N75 Y76 H82 L83 S85 I87I74-R78 WeakPolarHBondContact O-CG 3.43Å; I74-R78 PolarHBondContact O-N 3.5Å; N75-R78 WeakPolarHBondContact O-CB 3.31Å; N75-R78 PolarHBondContact O-N 2.99Å; Y76-R78 VanDerWaalsContact C-N 3.31Å; Y76-R78 PolarHBondContact O-N 3.16Å; R78-H82 WeakPolarHBondContact O-CA 3.3Å; R78-H82 PolarHBondContact O-N 3.02Å; R78-L83 PolarHBondContact O-N 3.39Å; R78-S85 PolarHBondContact NH1-O 3.32Å; R78-S85 PolarHBondContact NH2-O 3.01Å; R78-I87 PolarHBondContact NE-O 3.2Å; R78-I87 PolarHBondContact NH2-O 3.4Å
79E94.7Very high92.6Very high138 Ų13863.1 Ų63.165%0.64534%0.337SS*.Hα-helixtrans-64.3-43.6176.6-70.2174.1-170.400111.8N75 Y76 H82N75-E79 PolarHBondContact O-N 3.25Å; N75-E79 VanDerWaalsContact O-N 3.09Å; Y76-E79 PolarHBondContact O-N 3.31Å; E79-H82 PolarHBondContact O-CE1 3Å; E79-H82 PolarHBondContact O-ND1 3.16Å; E79-H82 VanDerWaalsContact O-ND1 3.1Å
80V94Very high92.3Very high36 Ų3664 Ų6422%0.21835%0.349CS..Hα-helixtrans-71.2-36.5-178173.10000112.9F12 Y76F12-V80 HydrophobicContact CD2-CG1 3.88Å; F12-V80 HydrophobicContact CE2-CG1 3.87Å; Y76-V80 HydrophobicContact CD1-CG2 4.35Å; Y76-V80 HydrophobicContact CD2-CG2 4.19Å; Y76-V80 HydrophobicContact CE1-CG2 3.9Å; Y76-V80 HydrophobicContact CE2-CG2 3.7Å; Y76-V80 HydrophobicContact CG-CG2 4.49Å; Y76-V80 VanDerWaalsContact O-CG2 3.31Å; Y76-V80 WeakPolarHBondContact O-CG2 3.28Å; Y76-V80 PolarHBondContact O-N 3.25Å
81L93.9Very high92Very high26 Ų2666.7 Ų66.714%0.13637%0.365CS..Hα-helixtrans-92.6-3.2179.7-64.9174.7000113.1N9 F12 E13 I16 L77 L83N9-L81 HydrophobicContact CB-CD2 4.29Å; F12-L81 HydrophobicContact CB-CD1 4.05Å; F12-L81 HydrophobicContact CB-CD2 4.11Å; F12-L81 HydrophobicContact CB-CG 4.3Å; E13-L81 HydrophobicContact CG-CD1 4.17Å; E13-L81 HydrophobicContact CG-CD2 4.24Å; I16-L81 HydrophobicContact CG2-CD1 4Å; L77-L81 VanDerWaalsContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.34Å; L77-L81 PolarHBondContact O-N 2.95Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 HydrophobicContact CB-CD1 3.81Å; L81-L83 HydrophobicContact CB-CG 3.74Å; L81-L83 HydrophobicContact CD1-CD1 3.86Å; L81-L83 PolarHBondContact O-N 2.78Å
82H93.1Very high91.7Very high167 Ų16767.1 Ų67.177%0.77336%0.363SS*.THydrogen-bonded Turntrans54.443.4-175.8-51.6-54.2000113.1R78 E79R78-H82 WeakPolarHBondContact O-CA 3.3Å; R78-H82 PolarHBondContact O-N 3.02Å; E79-H82 PolarHBondContact O-CE1 3Å; E79-H82 PolarHBondContact O-ND1 3.16Å; E79-H82 VanDerWaalsContact O-ND1 3.1Å
83L91.3Very high91.3Very high55 Ų5568.7 Ų68.729%0.28836%0.364SS..  trans-92.9144.5-179.9-66.7174.5000110.8I16 R78 L81 I87I16-L83 HydrophobicContact CG2-CD1 4.25Å; R78-L83 PolarHBondContact O-N 3.39Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 HydrophobicContact CB-CD1 3.81Å; L81-L83 HydrophobicContact CB-CG 3.74Å; L81-L83 HydrophobicContact CD1-CD1 3.86Å; L81-L83 PolarHBondContact O-N 2.78Å; L83-I87 HydrophobicContact CB-CD1 4.11Å; L83-I87 HydrophobicContact CD1-CD1 4.38Å; L83-I87 HydrophobicContact CD2-CD1 3.78Å; L83-I87 HydrophobicContact CG-CD1 4.29Å
84P91.3Very high90.7Very high83 Ų8373 Ų7354%0.53940%0.401SS..  trans-63.1153.9172.326.8-34.5000111.5D86 I87P84-D86 PolarHBondContact O-N 3.04Å; P84-I87 HydrophobicContact CG-CD1 4.05Å; P84-I87 HydrophobicContact CG-CG1 4.29Å; P84-I87 PolarHBondContact O-N 3.26Å
85S87.4Confident90Very high96 Ų9677.4 Ų77.467%0.67143%0.43SS*.THydrogen-bonded Turntrans-63.7-9-179.456.40000114.7R78R78-S85 PolarHBondContact NH1-O 3.32Å; R78-S85 PolarHBondContact NH2-O 3.01Å
86D85.3Confident89.2Confident133 Ų13380 Ų8071%0.71145%0.45SS*.THydrogen-bonded Turntrans-78.3-21.7179.8-162.430.1000112.8P84 I88P84-D86 PolarHBondContact O-N 3.04Å; D86-I88 WeakPolarHBondContact O-CG1 3.47Å; D86-I88 PolarHBondContact O-N 2.89Å
87I85.2Confident88.2Confident67 Ų6789.1 Ų89.134%0.34449%0.485SS..  trans-76.5108.1-179.3-63.7171.8000109.3R78 L83 P84R78-I87 PolarHBondContact NE-O 3.2Å; R78-I87 PolarHBondContact NH2-O 3.4Å; L83-I87 HydrophobicContact CB-CD1 4.11Å; L83-I87 HydrophobicContact CD1-CD1 4.38Å; L83-I87 HydrophobicContact CD2-CD1 3.78Å; L83-I87 HydrophobicContact CG-CD1 4.29Å; P84-I87 HydrophobicContact CG-CD1 4.05Å; P84-I87 HydrophobicContact CG-CG1 4.29Å; P84-I87 PolarHBondContact O-N 3.26Å
88I86.4Confident87.1Confident71 Ų7194.2 Ų94.236%0.36451%0.512SS..  trans-107.1135.5-178.4-66.8166.5000108.9D86 L92 K93D86-I88 WeakPolarHBondContact O-CG1 3.47Å; D86-I88 PolarHBondContact O-N 2.89Å; I88-L92 HydrophobicContact CG2-CB 3.33Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.29Å; I88-K93 WeakPolarHBondContact O-CE 3.49Å
89P90.6Very high85.8Confident0 Ų0100 Ų1000%055%0.545CS..  trans-61151.9176.425.7-35.6000112.1I16 I74 T91 L92I16-P89 VanDerWaalsContact O-CA 3.24Å; I16-P89 WeakPolarHBondContact O-CA 3.49Å; I16-P89 VanDerWaalsContact O-CB 3.3Å; I16-P89 WeakPolarHBondContact O-CB 3.07Å; I74-P89 HydrophobicContact CD1-CG 3.79Å; I74-P89 HydrophobicContact CG1-CG 4.28Å; P89-T91 PolarHBondContact O-N 3.38Å; P89-T91 VanDerWaalsContact O-N 3.12Å; P89-L92 HydrophobicContact CG-CB 4.48Å; P89-L92 HydrophobicContact CG-CD1 3.93Å; P89-L92 HydrophobicContact CG-CG 4.17Å; P89-L92 PolarHBondContact O-N 3.49Å
90A90.7Very high84.3Confident48 Ų48104 Ų10440%0.39755%0.554SS.*G310 helixtrans-53.8-35.6-178.600000113.4Q17 L92 K93Q17-A90 WeakPolarHBondContact O-CB 3.25Å; Q17-A90 PolarHBondContact O-N 3.31Å; A90-L92 PolarHBondContact O-N 3.18Å; A90-L92 VanDerWaalsContact O-N 3.14Å; A90-K93 PolarHBondContact O-N 3.19Å; A90-K93 VanDerWaalsContact O-N 3.09Å
91T88.4Confident82.7Confident85 Ų85107 Ų10752%0.52157%0.572SS.*G310 helixtrans-54.9-25.9174.851.60000115.8D18 V20 P89D18-T91 WeakPolarHBondContact O-CG2 3.47Å; V20-T91 HydrophobicContact CG2-CG2 3.76Å; P89-T91 PolarHBondContact O-N 3.38Å; P89-T91 VanDerWaalsContact O-N 3.12Å
92L88.2Confident80.7Confident114 Ų114111 Ų11160%0.59760%0.6SS**G310 helixtrans-101.2-7.6-179.2-70.4178.8000112.6I74 I88 P89 A90I74-L92 HydrophobicContact CD1-CD1 3.97Å; I88-L92 HydrophobicContact CG2-CB 3.33Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.29Å; P89-L92 HydrophobicContact CG-CB 4.48Å; P89-L92 HydrophobicContact CG-CD1 3.93Å; P89-L92 HydrophobicContact CG-CG 4.17Å; P89-L92 PolarHBondContact O-N 3.49Å; A90-L92 PolarHBondContact O-N 3.18Å; A90-L92 VanDerWaalsContact O-N 3.14Å
93K87.1Confident78.9Confident141 Ų141107 Ų10761%0.61360%0.596SS**SBendtrans-74.2128.7174.4-64.3-176.8-178.2179.50108.6I88 A90I88-K93 WeakPolarHBondContact O-CE 3.49Å; A90-K93 PolarHBondContact O-N 3.19Å; A90-K93 VanDerWaalsContact O-N 3.09Å
94A82.5Confident76.9Confident92 Ų92109.5 Ų109.576%0.7662%0.624SS**PPolyproline II helixtrans-58.3134176.100000109.8
95P81.1Confident74.7Confident107 Ų107109 Ų10970%0.69563%0.634SS**PPolyproline II helixtrans-60.7143.7174.926.2-33.3000109.4R97P95-R97 PolarHBondContact O-N 3.01Å
96P78Confident72.7Confident127 Ų127112.2 Ų112.283%0.82564%0.64SS**PPolyproline II helixtrans-57.8127.1174.225-32.3000108.5D98P96-D98 PolarHBondContact O-N 3.04Å; P96-D98 VanDerWaalsContact O-N 3.13Å
97R74.5Confident70.9Confident240 Ų240113.5 Ų113.591%0.90665%0.647SS**PPolyproline II helixtrans-61.9117.2175.6-65.9-178.6-179.8176-0.1107.6P95 I99P95-R97 PolarHBondContact O-N 3.01Å; R97-I99 PolarHBondContact O-N 2.96Å
98D70.2Confident68.9Low109 Ų109118.9 Ų118.958%0.58367%0.671SS**  trans-68.4114.5175.7-162.6-16.7000108.8P96 R100 T101P96-D98 PolarHBondContact O-N 3.04Å; P96-D98 VanDerWaalsContact O-N 3.13Å; D98-R100 PolarHBondContact O-N 3.34Å; D98-R100 VanDerWaalsContact O-N 3.07Å; D98-R100 WeakPolarHBondContact OD1-CB 3.49Å; D98-R100 PolarHBondContact OD1-N 3.03Å; D98-T101 PolarHBondContact O-N 2.93Å
99I67.9Low66.7Low166 Ų166118.9 Ų118.985%0.85169%0.688SS**THydrogen-bonded Turntrans-62.8-14.9-178.9-62.2167.4000110.8R97R97-I99 PolarHBondContact O-N 2.96Å
100R63.8Low64.4Low222 Ų222122.2 Ų122.284%0.83872%0.723SS**THydrogen-bonded Turntrans-85.6-6.1-177.3-65.7-179.8168.2177.5-2.9115.2D98 P102D98-R100 PolarHBondContact O-N 3.34Å; D98-R100 VanDerWaalsContact O-N 3.07Å; D98-R100 WeakPolarHBondContact OD1-CB 3.49Å; D98-R100 PolarHBondContact OD1-N 3.03Å; R100-P102 VanDerWaalsContact O-CD 3.25Å; R100-P102 WeakPolarHBondContact O-CD 3.39Å
101T59.3Low62.2Low98 Ų98129 Ų12960%0.60175%0.746SS**SBendtrans-99.2100.5172.6-39.90000107.9D98 A103D98-T101 PolarHBondContact O-N 2.93Å; T101-A103 PolarHBondContact O-N 3.4Å
102P52.9Low59.7Low110 Ų110137.1 Ų137.171%0.71477%0.767SS**  trans-55.8131.116924.3-31.2000106.8R100 A104R100-P102 VanDerWaalsContact O-CD 3.25Å; R100-P102 WeakPolarHBondContact O-CD 3.39Å; P102-A104 VanDerWaalsContact C-N 3.3Å; P102-A104 PolarHBondContact O-N 2.65Å
103A55.3Low57.8Low84 Ų84134.6 Ų134.669%0.69477%0.769SS**  trans-48.294.3-179.300000110.4T101 G105T101-A103 PolarHBondContact O-N 3.4Å; A103-G105 PolarHBondContact O-N 3.2Å
104A48.4Very low55.9Low106 Ų106134.5 Ų134.588%0.87678%0.782SS**SBendtrans-74.186.2168.800000106P102P102-A104 VanDerWaalsContact C-N 3.3Å; P102-A104 PolarHBondContact O-N 2.65Å
105G45.2Very low54.4Low72 Ų72135.7 Ų135.774%0.74279%0.785SS**SBendtrans111.313160.300000118.2A103 D107A103-G105 PolarHBondContact O-N 3.2Å; G105-D107 PolarHBondContact O-N 3.5Å
106M46.9Very low52.9Low165 Ų165136.5 Ų136.581%0.81378%0.784SS**  trans-88.398.8165.1-140.778.4159.900108.2Q108M106-Q108 VanDerWaalsContact C-N 3.28Å; M106-Q108 PolarHBondContact O-N 3.06Å
107D46.9Very low51.9Low159 Ų159132.1 Ų132.185%0.8576%0.762SS**  trans-34.785.6170.5-165.2-146.5000111.4G105 G109G105-D107 PolarHBondContact O-N 3.5Å; D107-G109 PolarHBondContact O-N 3.08Å
108Q43Very low50.9Low181 Ų181131.7 Ų131.785%0.84676%0.76SS**  trans-63.9107.5161.7-98.2-178.75.300104.3M106 G110M106-Q108 VanDerWaalsContact C-N 3.28Å; M106-Q108 PolarHBondContact O-N 3.06Å; Q108-G110 VanDerWaalsContact C-N 3.27Å; Q108-G110 WeakPolarHBondContact O-CA 3.37Å; Q108-G110 PolarHBondContact O-N 3.29Å
109G40.6Very low50.3Low70 Ų70130.8 Ų130.872%0.72276%0.758SS**  trans-41.798167.900000108.9D107 Q111D107-G109 PolarHBondContact O-N 3.08Å; G109-Q111 PolarHBondContact O-N 2.94Å
110G41.3Very low49.8Very low71 Ų71125.4 Ų125.473%0.73274%0.739SS**  trans-69100.1-167.700000108.8Q108 R112Q108-G110 VanDerWaalsContact C-N 3.27Å; Q108-G110 WeakPolarHBondContact O-CA 3.37Å; Q108-G110 PolarHBondContact O-N 3.29Å; G110-R112 PolarHBondContact O-N 2.83Å
111Q44.1Very low49.4Very low191 Ų191123.7 Ų123.789%0.89374%0.738SS**  trans-50.8107.2154.5-82.9171.8-31.500108.3G109 G113G109-Q111 PolarHBondContact O-N 2.94Å; Q111-G113 PolarHBondContact O-N 3.3Å
112R36.4Very low49.3Very low254 Ų254129.9 Ų129.996%0.95875%0.75SS**SBendtrans22.7101.5140.4-83.1177.5162.6167.2-4.9115G110G110-R112 PolarHBondContact O-N 2.83Å
113G49.3Very low49.5Very low61 Ų61134.1 Ų134.163%0.62975%0.752SS**  trans-171.1121.8160.400000110.5Q111 S115Q111-G113 PolarHBondContact O-N 3.3Å; G113-S115 PolarHBondContact O-N 2.99Å
114P46.7Very low49Very low139 Ų139132.5 Ų132.590%0.90374%0.743SS**  trans-81.484.9-172.233.2-31000109.4D116P114-D116 PolarHBondContact O-N 3.14Å
115S50.9Low49.4Very low117 Ų117133.2 Ų133.282%0.81874%0.739SS**  trans-97.372.2177.3-160.80000110.4G113 G117G113-S115 PolarHBondContact O-N 2.99Å; S115-G117 VanDerWaalsContact C-N 3.28Å; S115-G117 PolarHBondContact O-N 3.11Å
116D48.8Very low49.4Very low124 Ų124136.1 Ų136.166%0.66374%0.742SS**  trans-76.479170.2-161.52000109.1P114P114-D116 PolarHBondContact O-N 3.14Å
117G57.8Low49.4Very low36 Ų36133.5 Ų133.537%0.37174%0.735SS.*SBendtrans-126.5-17-177.100000114.6S115 F121S115-G117 VanDerWaalsContact C-N 3.28Å; S115-G117 PolarHBondContact O-N 3.11Å; G117-F121 WeakPolarHBondContact O-CD2 3.5Å; G117-F121 VanDerWaalsContact O-CE2 3.25Å; G117-F121 WeakPolarHBondContact O-CE2 3.46Å
118R53.9Low49.1Very low231 Ų231132 Ų13287%0.87273%0.734SS**SBendtrans-113.1-21.9-177-125.1176.5-149.4150.25.9113.6
119V57.4Low48.7Very low89 Ų89126.1 Ų126.154%0.53972%0.722SS.*SBendtrans-83.9-30.4175.6-164.10000110.2F121 R122 R123V119-F121 VanDerWaalsContact C-N 3.32Å; V119-F121 PolarHBondContact O-N 3.09Å; V119-R122 PolarHBondContact O-N 3.34Å; V119-R123 PolarHBondContact O-N 3.1Å
120A57Low48.7Very low53 Ų53129.1 Ų129.144%0.43873%0.726SS.*THydrogen-bonded Turntrans-65.3-21.6173.700000115.3
121F55.8Low48.3Very low186 Ų186132.5 Ų132.582%0.81673%0.733SS**THydrogen-bonded Turntrans-86.6-16.9173-73.8-77.3000113.4G117 V119G117-F121 WeakPolarHBondContact O-CD2 3.5Å; G117-F121 VanDerWaalsContact O-CE2 3.25Å; G117-F121 WeakPolarHBondContact O-CE2 3.46Å; V119-F121 VanDerWaalsContact C-N 3.32Å; V119-F121 PolarHBondContact O-N 3.09Å
122R57.5Low48.1Very low229 Ų229127.1 Ų127.186%0.86473%0.728SS**THydrogen-bonded Turntrans-89.7-19.4177.6-122.6-176.2-149.8175.36.2112.7V119V119-R122 PolarHBondContact O-N 3.34Å
123R56.8Low47.8Very low199 Ų199124.9 Ų124.975%0.75173%0.726SS**SBendtrans-112.6100.5171.5-69.4-176.5172.7178.7-2.2106.1V119V119-R123 PolarHBondContact O-N 3.1Å
124G45.3Very low47.3Very low49 Ų49124.8 Ų124.851%0.50573%0.725SS.*  trans-47.8157.2-178.200000112.8V126G124-V126 PolarHBondContact O-N 2.9Å
125P54.8Low47Very low121 Ų121124.7 Ų124.779%0.78672%0.722SS**  trans-61.598.7-168.726.1-33.9000110.9T127P125-T127 PolarHBondContact O-N 3.31Å
126V45.5Very low46.4Very low134 Ų134125.4 Ų125.481%0.81272%0.724SS**  trans-83.283.8158.9177.60000104.8G124 P128G124-V126 PolarHBondContact O-N 2.9Å; V126-P128 WeakPolarHBondContact O-CD 3.36Å
127T47.6Very low45.9Very low109 Ų109122.9 Ų122.967%0.66973%0.727SS**  trans-76.9107.9175.1-34.60000108P125 G129P125-T127 PolarHBondContact O-N 3.31Å; T127-G129 PolarHBondContact O-N 3.42Å
128P39.8Very low45.1Very low128 Ų128130 Ų13083%0.83175%0.747SS**  trans-87.587.4170.419.60.4000106.4V126V126-P128 WeakPolarHBondContact O-CD 3.36Å
129G36.1Very low44.2Very low57 Ų57126 Ų12659%0.58874%0.744SS**  trans166.357.2-178.500000115.5T127T127-G129 PolarHBondContact O-N 3.42Å
130V39.3Very low43.6Very low134 Ų134126.3 Ų126.381%0.81276%0.756SS**  trans-141.9110150.9-177.70000107.5G132V130-G132 PolarHBondContact O-N 3.25Å
131T32.6Very low42.7Very low142 Ų142128.8 Ų128.887%0.87178%0.776SS**  trans-58.595.716645.10000109.2
132G40.1Very low42.1Very low77 Ų77127.9 Ų127.979%0.79478%0.778SS**  trans-92.785.1168.600000110.4V130V130-G132 PolarHBondContact O-N 3.25Å
133F30.1Very low41.5Very low208 Ų208119.8 Ų119.891%0.91277%0.766SS**  trans-90.5116.7162.9-178.3-86.1000107.9
134G39Very low40.6Very low59 Ų59118.9 Ų118.961%0.60878%0.776SS**  trans70.1140.3174.100000113.1
135T40.8Very low40.9Very low137 Ų137121.4 Ų121.484%0.8479%0.786SS**  cis-169.7142.524.1-10.60000105
136P38.9Very low40.5Very low131 Ų131123.5 Ų123.585%0.85179%0.785SS**  trans-81.1139.2-175.533.2-30.4000109.7
137G37.7Very low41.3Very low71 Ų71122.9 Ų122.973%0.73278%0.781SS**  trans175.8113.1172.700000115.1
138K41.7Very low41.7Very low185 Ų185124.6 Ų124.680%0.80478%0.782SS**  trans80.796.8143.7-85.3161.9165179.60118.1
139D34.7Very low42.8Very low148 Ų148127.6 Ų127.679%0.79178%0.782SS**  60.691.1116.8-49.5-25.1000117
140A44.9Very low43.8Very low96 Ų96134 Ų13479%0.79380%0.796SS**  trans-149.582.8149.500000109.6
141A36.6Very low44.1Very low105 Ų105131.3 Ų131.387%0.86880%0.795SS**  trans-68124.616700000110.2
142I44.4Very low44.8Very low167 Ų167127.2 Ų127.286%0.85678%0.781SS**  trans-139.4108.1163.1-63.9170.7000102.4
143G44.7Very low45.3Very low59 Ų59134.9 Ų134.961%0.60879%0.788SS**  cis127.296.238.500000104.2S145G143-S145 PolarHBondContact O-N 3.42Å; G143-S145 VanDerWaalsContact O-N 3.13Å
144D38.3Very low46.2Very low179 Ų179129 Ų12996%0.95779%0.785SS**  trans-55.3112.1-174.1-69-51.8000111.3
145S50.3Low47.2Very low102 Ų102138 Ų13871%0.71380%0.801SS**  trans-143.2111.7162.149.80000110.2G143 V147G143-S145 PolarHBondContact O-N 3.42Å; G143-S145 VanDerWaalsContact O-N 3.13Å; S145-V147 PolarHBondContact O-N 2.99Å
146E46.5Very low47.6Very low165 Ų165135.3 Ų135.377%0.77180%0.8SS**  trans-51113.4179.5-179.6179.3177.600113H148E146-H148 WeakPolarHBondContact CG-ND1 3.45Å; E146-H148 IonicContact OE1-CE1 2.84Å; E146-H148 PolarHBondContact OE1-CE1 3.17Å; E146-H148 IonicContact OE1-ND1 3.1Å; E146-H148 PolarHBondContact OE1-ND1 3.05Å; E146-H148 VanDerWaalsContact OE1-ND1 3.1Å
147V62.4Low48.1Very low121 Ų121140.7 Ų140.773%0.73380%0.804SS**  trans-101.798.4172.4-82.50000110.5S145S145-V147 PolarHBondContact O-N 2.99Å
148H57.6Low49.4Very low146 Ų146142.9 Ų142.968%0.67681%0.805SS**  trans-88.4117.4173-88.986.8000111.3E146E146-H148 WeakPolarHBondContact CG-ND1 3.45Å; E146-H148 IonicContact OE1-CE1 2.84Å; E146-H148 PolarHBondContact OE1-CE1 3.17Å; E146-H148 IonicContact OE1-ND1 3.1Å; E146-H148 PolarHBondContact OE1-ND1 3.05Å; E146-H148 VanDerWaalsContact OE1-ND1 3.1Å
149F61.1Low49.8Very low191 Ų191146.5 Ų146.584%0.83883%0.828SS**  trans-89105.2171.5-67-83.8000110.3G151F149-G151 PolarHBondContact O-N 3.32Å
150H57.2Low50.6Low192 Ų192146.5 Ų146.589%0.88983%0.83SS**  trans-81.6106.3173.5-127.861.8000109.9
151G47.2Very low50.9Low77 Ų77149.1 Ų149.179%0.79483%0.832SS**  trans-83.4129.416900000110.7F149F149-G151 PolarHBondContact O-N 3.32Å
152G46.2Very low51.7Low55 Ų55151.6 Ų151.657%0.56783%0.83SS**  trans161.7104.6166.700000113.8
153Y51.2Low52.1Low239 Ų239150.6 Ų150.694%0.93783%0.828SS**  trans-148.387.1143.6-76.2-71.5000108.2
154G49.7Very low52.5Low84 Ų84156.4 Ų156.487%0.86684%0.842SS**  trans-70.7131.9164.600000110.1
155R58.2Low53.5Low249 Ų249154.9 Ų154.994%0.9483%0.834SS**  trans-113.6120.7170.5-77.7-168173.3-166-0.8109.8
156G50.7Low53.7Low80 Ų80158.6 Ų158.683%0.82584%0.843SS**  trans90.897.5143.500000117.3
157R48.1Very low54.3Low244 Ų244158.2 Ų158.292%0.92185%0.849SS**  trans-117.7123.6152.1-153.4177.3-171.2-137.82.3107.1
158P66.7Low53.6Low117 Ų117161.3 Ų161.376%0.7686%0.858SS**  trans-77.7157.5161.731.2-28.8000110
159M49.2Very low53.2Low261 Ų261162.6 Ų162.6100%1.28688%0.875SS**  trans-43.20178.4-59.2-72.1-133.300114.5

Retrieved 159 of 159 residues in 30.8 ms (Link to these results)

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