A0A3B3W336_9TELE Loading...

BPTF-associated chromatin complex component 1

Component of chromatin complexes such as the MLL1/MLL and NURF complexes.

AlphaFold DB , UniProt , Accession A0A3B3W336, Species 9TELE (Poecilia latipinna, sailfin molly), Gene C17orf49, Length 205 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
1M64.8Low89.9Confident248 Ų24897.5 Ų97.5100%1.22258%0.575SS**  0125.10-69.8177.5-164.600107.5
2T77Confident90.4Very high81 Ų8199 Ų9950%0.49757%0.569SS.*  trans-76.2142.6175.357.40000109.9K7T2-K7 WeakPolarHBondContact OG1-CE 3.17Å
3S91.3Very high91Very high73 Ų7398 Ų9851%0.5157%0.571SS.*  trans-66.9155.9178.866.80000110.8S5 A6 K7S3-S5 PolarHBondContact O-N 3.28Å; S3-A6 WeakPolarHBondContact O-CB 3.48Å; S3-A6 PolarHBondContact O-N 2.77Å; S3-A6 PolarHBondContact OG-N 3.19Å; S3-K7 PolarHBondContact O-N 3.08Å; S3-K7 VanDerWaalsContact O-N 3.16Å
4A89.9Confident91.5Very high78 Ų7895.5 Ų95.565%0.64557%0.568SS**Hα-helixtrans-57-37.2177.300000112.1K7 V8A4-K7 PolarHBondContact O-N 3.22Å; A4-V8 WeakPolarHBondContact O-CG2 3.31Å; A4-V8 PolarHBondContact O-N 2.79Å; A4-V8 VanDerWaalsContact O-N 3.1Å
5S91.4Very high91.9Very high96 Ų9690.9 Ų90.967%0.67155%0.545SS*.Hα-helixtrans-64.7-37.6174.4-58.40000112.9S3 K7 V8 G9S3-S5 PolarHBondContact O-N 3.28Å; S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 2.75Å; S5-V8 PolarHBondContact O-N 2.83Å; S5-G9 PolarHBondContact O-N 3.34Å
6A94.1Very high92.2Very high41 Ų4187.3 Ų87.334%0.33953%0.532SS..Hα-helixtrans-62.5-42.5175.500000111.2S3 V8 G9 E10S3-A6 WeakPolarHBondContact O-CB 3.48Å; S3-A6 PolarHBondContact O-N 2.77Å; S3-A6 PolarHBondContact OG-N 3.19Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.2Å; A6-G9 PolarHBondContact O-N 3.39Å; A6-E10 WeakPolarHBondContact O-CG 3.39Å; A6-E10 PolarHBondContact O-N 3.33Å
7K95.2Very high92.6Very high115 Ų11585.8 Ų85.850%0.553%0.531SS..Hα-helixtrans-62.6-39.4176.1-63.1-177.4179.5-173.10112.7T2 S3 A4 S5 E10 I11T2-K7 WeakPolarHBondContact OG1-CE 3.17Å; S3-K7 PolarHBondContact O-N 3.08Å; S3-K7 VanDerWaalsContact O-N 3.16Å; A4-K7 PolarHBondContact O-N 3.22Å; S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 2.75Å; K7-E10 PolarHBondContact O-N 3.13Å; K7-I11 WeakPolarHBondContact O-CG1 3.43Å; K7-I11 PolarHBondContact O-N 2.9Å
8V95.1Very high92.8Very high76 Ų7684.6 Ų84.646%0.46153%0.53SS..Hα-helixtrans-66.3-40.8175173.70000110.9A4 S5 A6 E10 I11 F12A4-V8 WeakPolarHBondContact O-CG2 3.31Å; A4-V8 PolarHBondContact O-N 2.79Å; A4-V8 VanDerWaalsContact O-N 3.1Å; S5-V8 PolarHBondContact O-N 2.83Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.2Å; V8-E10 PolarHBondContact O-N 3.11Å; V8-I11 PolarHBondContact O-N 3.46Å; V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 3.54Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 2.86Å
9G96Very high93.1Very high33 Ų3385.5 Ų85.534%0.3453%0.526SS..Hα-helixtrans-58.6-45.2174.300000112.8S5 A6 I11 F12 S13S5-G9 PolarHBondContact O-N 3.34Å; A6-G9 PolarHBondContact O-N 3.39Å; G9-I11 VanDerWaalsContact C-N 3.3Å; G9-I11 PolarHBondContact O-N 2.93Å; G9-F12 PolarHBondContact O-N 3.36Å; G9-S13 PolarHBondContact O-N 2.86Å; G9-S13 PolarHBondContact O-OG 2.89Å
10E97.6Very high93.3Very high117 Ų11786.4 Ų86.455%0.54753%0.531SS..Hα-helixtrans-58.3-40.1177-72.8171.7172.100112.5A6 K7 V8 S13 A14A6-E10 WeakPolarHBondContact O-CG 3.39Å; A6-E10 PolarHBondContact O-N 3.33Å; K7-E10 PolarHBondContact O-N 3.13Å; V8-E10 PolarHBondContact O-N 3.11Å; E10-S13 PolarHBondContact O-N 3.38Å; E10-A14 PolarHBondContact O-N 3.14Å
11I96.1Very high93.4Very high115 Ų11588.7 Ų88.759%0.5953%0.534SS*.Hα-helixtrans-63.5-45.9177.2-65163.6000110.7K7 V8 G9 A14 A15K7-I11 WeakPolarHBondContact O-CG1 3.43Å; K7-I11 PolarHBondContact O-N 2.9Å; V8-I11 PolarHBondContact O-N 3.46Å; G9-I11 VanDerWaalsContact C-N 3.3Å; G9-I11 PolarHBondContact O-N 2.93Å; I11-A14 PolarHBondContact O-N 3.32Å; I11-A15 PolarHBondContact O-N 2.69Å
12F96.7Very high94.8Very high115 Ų11580 Ų8050%0.50449%0.492SS..Hα-helixtrans-67.8-36.4178.1-75.8-62000112.6V8 G9 A14 A15 G16 L61V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 3.54Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 2.86Å; G9-F12 PolarHBondContact O-N 3.36Å; F12-A14 VanDerWaalsContact C-N 3.33Å; F12-A14 PolarHBondContact O-N 3Å; F12-A15 PolarHBondContact O-N 3.42Å; F12-G16 PolarHBondContact O-N 3.24Å; F12-L61 HydrophobicContact CE1-CD2 4.45Å
13S98.1Very high95.5Very high86 Ų8677.7 Ų77.760%0.60148%0.484SS*.Hα-helixtrans-60.3-43.3171.8-68.30000111.7G9 E10 G16 A17G9-S13 PolarHBondContact O-N 2.86Å; G9-S13 PolarHBondContact O-OG 2.89Å; E10-S13 PolarHBondContact O-N 3.38Å; S13-G16 PolarHBondContact O-N 3.42Å; S13-A17 WeakPolarHBondContact O-CB 3.25Å; S13-A17 PolarHBondContact O-N 3.49Å
14A97.9Very high95.6Very high63 Ų6379.7 Ų79.752%0.52149%0.486SS..Hα-helixtrans-65.1-44.1176.800000112.4E10 I11 F12 A17 A18E10-A14 PolarHBondContact O-N 3.14Å; I11-A14 PolarHBondContact O-N 3.32Å; F12-A14 VanDerWaalsContact C-N 3.33Å; F12-A14 PolarHBondContact O-N 3Å; A14-A17 PolarHBondContact O-N 3.18Å; A14-A18 PolarHBondContact O-N 3.42Å
15A97.1Very high95.7Very high27 Ų2780.1 Ų80.122%0.22348%0.477CS..Hα-helixtrans-61.8-44.8175.600000111.6I11 F12 A17 A18 F19I11-A15 PolarHBondContact O-N 2.69Å; F12-A15 PolarHBondContact O-N 3.42Å; A15-A17 PolarHBondContact O-N 3.06Å; A15-A18 WeakPolarHBondContact O-CB 3.38Å; A15-A18 PolarHBondContact O-N 3.36Å; A15-F19 HydrophobicContact CB-CE2 4.45Å; A15-F19 WeakPolarHBondContact O-CD2 3.38Å; A15-F19 PolarHBondContact O-N 2.92Å
16G97.3Very high95.4Very high33 Ų3378 Ų7834%0.3446%0.46SS..Hα-helixtrans-58.9-45.2175.300000112.4F12 S13 A18 F19 T20F12-G16 PolarHBondContact O-N 3.24Å; S13-G16 PolarHBondContact O-N 3.42Å; G16-A18 VanDerWaalsContact C-N 3.31Å; G16-A18 PolarHBondContact O-N 3.27Å; G16-F19 PolarHBondContact O-N 3.21Å; G16-T20 PolarHBondContact O-N 3.33Å; G16-T20 PolarHBondContact O-OG1 3.43Å; G16-T20 VanDerWaalsContact O-OG1 3.12Å
17A98.2Very high95.1Very high62 Ų6283.3 Ų83.351%0.51248%0.48SS..Hα-helixtrans-60.8-39.517600000112.5S13 A14 A15 T20 K21S13-A17 WeakPolarHBondContact O-CB 3.25Å; S13-A17 PolarHBondContact O-N 3.49Å; A14-A17 PolarHBondContact O-N 3.18Å; A15-A17 PolarHBondContact O-N 3.06Å; A17-T20 PolarHBondContact O-N 2.98Å; A17-K21 WeakPolarHBondContact O-CB 3.31Å; A17-K21 PolarHBondContact O-N 3.07Å
18A97.6Very high94.5Very high63 Ų6383.6 Ų83.652%0.52148%0.483SS..Hα-helixtrans-63.9-42.8175.200000111.9A14 A15 G16 K21 L22A14-A18 PolarHBondContact O-N 3.42Å; A15-A18 WeakPolarHBondContact O-CB 3.38Å; A15-A18 PolarHBondContact O-N 3.36Å; G16-A18 VanDerWaalsContact C-N 3.31Å; G16-A18 PolarHBondContact O-N 3.27Å; A18-K21 PolarHBondContact O-N 3.44Å; A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 3.28Å
19F96.8Very high93.7Very high103 Ų10383 Ų8345%0.45248%0.476SS..Hα-helixtrans-65.2-41.6175.6-70.5-54.3000112.7A15 G16 K21 L22 G23 F57A15-F19 HydrophobicContact CB-CE2 4.45Å; A15-F19 WeakPolarHBondContact O-CD2 3.38Å; A15-F19 PolarHBondContact O-N 2.92Å; G16-F19 PolarHBondContact O-N 3.21Å; F19-K21 PolarHBondContact O-N 3.26Å; F19-L22 PolarHBondContact O-N 3.24Å; F19-G23 PolarHBondContact O-N 2.9Å; F19-F57 HydrophobicContact CE2-CE1 4.15Å; F19-F57 HydrophobicContact CE2-CZ 4.48Å; F19-F57 HydrophobicContact CZ-CD1 4.22Å; F19-F57 HydrophobicContact CZ-CE1 4.09Å
20T97.6Very high92Very high102 Ų10288 Ų8863%0.62649%0.49SS*.Hα-helixtrans-58.7-48.7174.9-60.40000111.1G16 A17 L22 G23 E24G16-T20 PolarHBondContact O-N 3.33Å; G16-T20 PolarHBondContact O-OG1 3.43Å; G16-T20 VanDerWaalsContact O-OG1 3.12Å; A17-T20 PolarHBondContact O-N 2.98Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 2.93Å; T20-G23 PolarHBondContact O-N 2.97Å; T20-E24 PolarHBondContact O-N 3.47Å
21K96.3Very high90.2Very high136 Ų13687.7 Ų87.759%0.59150%0.499SS*.Hα-helixtrans-61-42.5178.4-177.8176.6-179.9178.40112.1A17 A18 F19 E24 L25A17-K21 WeakPolarHBondContact O-CB 3.31Å; A17-K21 PolarHBondContact O-N 3.07Å; A18-K21 PolarHBondContact O-N 3.44Å; F19-K21 PolarHBondContact O-N 3.26Å; K21-E24 PolarHBondContact O-N 3.13Å; K21-L25 HydrophobicContact CG-CD1 4.25Å; K21-L25 WeakPolarHBondContact O-CG 3.35Å; K21-L25 PolarHBondContact O-N 3.45Å; K21-L25 VanDerWaalsContact O-N 3.07Å
22L93.9Very high87.9Confident64 Ų6487.8 Ų87.834%0.33551%0.505SS..Hα-helixtrans-63.2-43.6177-18062.8000111.4A18 F19 T20 L25 T26 W42 L50A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 3.28Å; F19-L22 PolarHBondContact O-N 3.24Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 2.95Å; L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.32Å; L22-T26 PolarHBondContact O-OG1 3.28Å; L22-W42 HydrophobicContact CD1-CH2 4.39Å; L22-L50 HydrophobicContact CD2-CD1 3.75Å
23G92.5Very high85.7Confident33 Ų3387.4 Ų87.434%0.3452%0.516SS..Hα-helixtrans-60.7-43.4176.600000112.5F19 T20 T26 M27F19-G23 PolarHBondContact O-N 2.9Å; T20-G23 PolarHBondContact O-N 2.97Å; G23-T26 WeakPolarHBondContact O-CB 3.36Å; G23-T26 PolarHBondContact O-N 2.96Å; G23-M27 WeakPolarHBondContact O-CG 3.47Å; G23-M27 PolarHBondContact O-N 2.98Å
24E93.1Very high83.4Confident116 Ų11691.2 Ų91.254%0.54253%0.53SS..Hα-helixtrans-61-49.1176.3-170.6-169.3160.500112.1T20 K21 T26 M27 Q28T20-E24 PolarHBondContact O-N 3.47Å; K21-E24 PolarHBondContact O-N 3.13Å; E24-T26 VanDerWaalsContact C-N 3.25Å; E24-T26 PolarHBondContact O-N 2.94Å; E24-M27 PolarHBondContact O-N 3.49Å; E24-Q28 WeakPolarHBondContact O-CG 3.44Å; E24-Q28 PolarHBondContact O-N 3.21Å
25L90.2Very high81.3Confident87 Ų8793 Ų9346%0.45554%0.539SS..Hα-helixtrans-63.2-34.4177.3-69.8172.4000112K21 L22 M27 Q28 L29K21-L25 HydrophobicContact CG-CD1 4.25Å; K21-L25 WeakPolarHBondContact O-CG 3.35Å; K21-L25 PolarHBondContact O-N 3.45Å; K21-L25 VanDerWaalsContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.95Å; L25-M27 VanDerWaalsContact C-N 3.33Å; L25-M27 PolarHBondContact O-N 3.4Å; L25-Q28 PolarHBondContact O-N 2.95Å; L25-L29 PolarHBondContact O-N 3.04Å
26T86.8Confident78.9Confident52 Ų5297 Ų9732%0.31957%0.565SS.*Hα-helixtrans-63.4-40175.7-59.10000111.7L22 G23 E24 Q28 L29 W42L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.32Å; L22-T26 PolarHBondContact O-OG1 3.28Å; G23-T26 WeakPolarHBondContact O-CB 3.36Å; G23-T26 PolarHBondContact O-N 2.96Å; E24-T26 VanDerWaalsContact C-N 3.25Å; E24-T26 PolarHBondContact O-N 2.94Å; T26-Q28 VanDerWaalsContact C-N 3.26Å; T26-Q28 PolarHBondContact O-N 3.4Å; T26-L29 WeakPolarHBondContact O-CB 3.37Å; T26-L29 PolarHBondContact O-N 3.4Å; T26-W42 HydrophobicContact CG2-CZ2 4.16Å; T26-W42 WeakPolarHBondContact OG1-CZ2 3.38Å
27M86.8Confident76.9Confident152 Ų152101.6 Ų101.675%0.74959%0.589SS**Hα-helixtrans-68.8-25.7177-68.7177.170.100112.7G23 E24 L25 L29G23-M27 WeakPolarHBondContact O-CG 3.47Å; G23-M27 PolarHBondContact O-N 2.98Å; E24-M27 PolarHBondContact O-N 3.49Å; L25-M27 VanDerWaalsContact C-N 3.33Å; L25-M27 PolarHBondContact O-N 3.4Å; M27-L29 VanDerWaalsContact C-N 3.28Å
28Q83.7Confident74.8Confident121 Ų121104 Ų10457%0.56561%0.609SS**Hα-helixtrans-76.1-14.9176-65.9174.846.400113E24 L25 T26 H30E24-Q28 WeakPolarHBondContact O-CG 3.44Å; E24-Q28 PolarHBondContact O-N 3.21Å; L25-Q28 PolarHBondContact O-N 2.95Å; T26-Q28 VanDerWaalsContact C-N 3.26Å; T26-Q28 PolarHBondContact O-N 3.4Å; Q28-H30 PolarHBondContact O-N 3.47Å
29L77.5Confident72.8Confident62 Ų62104.3 Ų104.333%0.32562%0.618SS.*  trans-77.363.5172-68.9162.2000110.3L25 T26 M27 A40 W42L25-L29 PolarHBondContact O-N 3.04Å; T26-L29 WeakPolarHBondContact O-CB 3.37Å; T26-L29 PolarHBondContact O-N 3.4Å; M27-L29 VanDerWaalsContact C-N 3.28Å; L29-A40 WeakPolarHBondContact CD2-O 3.45Å; L29-W42 VanDerWaalsContact CD1-CD1 3.47Å; L29-W42 HydrophobicContact CD1-CD2 4.39Å; L29-W42 HydrophobicContact CD1-CG 4.15Å; L29-W42 VanDerWaalsContact CD1-NE1 3.26Å
30H60.7Low71.4Confident138 Ų138101.3 Ų101.364%0.63961%0.612SS**  trans-92.3149.1168.7-117.3-102.1000109.9Q28 V32Q28-H30 PolarHBondContact O-N 3.47Å; H30-V32 VanDerWaalsContact C-N 3.34Å; H30-V32 PolarHBondContact O-N 3.35Å
31P59.7Low70.4Confident111 Ų111105.1 Ų105.172%0.72162%0.62SS**  trans-64.596.4170.626.4-32.3000108.8S33P31-S33 PolarHBondContact O-N 3Å
32V48.2Very low69.9Low118 Ų118101.7 Ų101.772%0.71560%0.603SS**  trans-65.2118.8168.1-175.30000106.3H30 D34H30-V32 VanDerWaalsContact C-N 3.34Å; H30-V32 PolarHBondContact O-N 3.35Å; V32-D34 PolarHBondContact O-N 2.94Å
33S50.4Low69.7Low106 Ų106101.8 Ų101.874%0.74161%0.607SS**SBendtrans-38.4121.7179.5-53.80000112.7P31 S35P31-S33 PolarHBondContact O-N 3Å; S33-S35 PolarHBondContact O-N 3.49Å
34D49.7Very low69.6Low167 Ų167106.1 Ų106.189%0.89362%0.618SS**SBendtrans47.65.9153.8-132.1-107.7000121.3V32V32-D34 PolarHBondContact O-N 2.94Å
35S53Low69.7Low101 Ų101105 Ų10571%0.70662%0.619SS**SBendtrans-150.257-175.8-610000114.8S33S33-S35 PolarHBondContact O-N 3.49Å
36S46.5Very low69.8Low110 Ų110105 Ų10577%0.76962%0.617SS**  trans-170.9122.7147.6-97.60000112
37P55.5Low70.1Confident130 Ų130104.6 Ų104.684%0.84461%0.612SS**SBendtrans-80.7134.1174.931.3-28.8000110.5
38A53.8Low70.6Confident113 Ų113102.9 Ų102.993%0.93460%0.603SS**SBendtrans93.99.2158.700000121.5
39G56.4Low71.2Confident69 Ų69103.2 Ų103.271%0.71161%0.606SS**SBendtrans-124.5-11.1-17700000118.9
40A66.9Low72.1Confident40 Ų40103.3 Ų103.333%0.33161%0.606SS.*SBendtrans-110.70.6-160.400000115.9L29L29-A40 WeakPolarHBondContact CD2-O 3.45Å
41K76.2Confident73.9Confident181 Ų181103.7 Ų103.779%0.78760%0.602SS**SBendtrans-127.7133.2-172.9-175-177.8176.2-176.30109.8T43K41-T43 PolarHBondContact O-N 3.44Å; K41-T43 VanDerWaalsContact O-N 3.13Å
42W86.4Confident75.7Confident65 Ų65103.2 Ų103.225%0.24659%0.593CS.*  trans-46.6119.8167.1-84.490.3000110.3L22 T26 L29 E46 I47 L50L22-W42 HydrophobicContact CD1-CH2 4.39Å; T26-W42 HydrophobicContact CG2-CZ2 4.16Å; T26-W42 WeakPolarHBondContact OG1-CZ2 3.38Å; L29-W42 VanDerWaalsContact CD1-CD1 3.47Å; L29-W42 HydrophobicContact CD1-CD2 4.39Å; L29-W42 HydrophobicContact CD1-CG 4.15Å; L29-W42 VanDerWaalsContact CD1-NE1 3.26Å; W42-E46 HydrophobicContact CE3-CB 3.57Å; W42-E46 HydrophobicContact CZ3-CB 3.73Å; W42-I47 HydrophobicContact CB-CD1 4.11Å; W42-I47 HydrophobicContact CB-CG1 4Å; W42-I47 HydrophobicContact CD2-CG1 4.41Å; W42-I47 HydrophobicContact CE3-CG1 3.89Å; W42-L50 HydrophobicContact CH2-CB 4.48Å; W42-L50 HydrophobicContact CH2-CD2 3.82Å; W42-L50 HydrophobicContact CZ3-CB 4.23Å; W42-L50 HydrophobicContact CZ3-CD2 4.15Å
43T89Confident78.1Confident66 Ų66100.4 Ų100.441%0.40558%0.582SS.*  trans-79.5152.8172.965.10000109.7K41 T45 E46 I47K41-T43 PolarHBondContact O-N 3.44Å; K41-T43 VanDerWaalsContact O-N 3.13Å; T43-T45 PolarHBondContact O-N 3.2Å; T43-E46 WeakPolarHBondContact CB-OE2 3.49Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.39Å; T43-E46 PolarHBondContact N-OE2 3.02Å; T43-E46 PolarHBondContact O-N 2.97Å; T43-E46 VanDerWaalsContact O-N 3.08Å; T43-E46 WeakPolarHBondContact OG1-CB 3.35Å; T43-E46 WeakPolarHBondContact OG1-CG 3.49Å; T43-E46 PolarHBondContact OG1-N 3.24Å; T43-E46 PolarHBondContact OG1-OE2 3.12Å; T43-I47 WeakPolarHBondContact O-CG1 3.25Å; T43-I47 PolarHBondContact O-N 3.12Å
44E92Very high80.3Confident123 Ų12398.8 Ų98.858%0.57557%0.568SS**Hα-helixtrans-58.6-34.7177.3-164.962.3-141.400111.3I47 E48 R51E44-I47 PolarHBondContact O-N 3.45Å; E44-E48 WeakPolarHBondContact O-CB 3.47Å; E44-E48 PolarHBondContact O-N 2.89Å; E44-R51 IonicContact OE1-NH1 3.39Å; E44-R51 PolarHBondContact OE1-NH1 2.91Å
45T94.6Very high82.7Confident94 Ų9499.1 Ų99.158%0.57756%0.556SS**Hα-helixtrans-59.8-47.9173.7-50.40000112.1T43 I47 E48 M49T43-T45 PolarHBondContact O-N 3.2Å; T45-I47 VanDerWaalsContact C-N 3.34Å; T45-E48 PolarHBondContact O-N 2.88Å; T45-M49 WeakPolarHBondContact O-CB 3.31Å; T45-M49 VanDerWaalsContact O-CG 3.31Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 2.98Å
46E92.1Very high84.8Confident86 Ų86102.7 Ų102.740%0.40255%0.554SS.*Hα-helixtrans-65.6-39178.3-71.3161.3143.800111.5W42 T43 E48 M49 L50W42-E46 HydrophobicContact CE3-CB 3.57Å; W42-E46 HydrophobicContact CZ3-CB 3.73Å; T43-E46 WeakPolarHBondContact CB-OE2 3.49Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.39Å; T43-E46 PolarHBondContact N-OE2 3.02Å; T43-E46 PolarHBondContact O-N 2.97Å; T43-E46 VanDerWaalsContact O-N 3.08Å; T43-E46 WeakPolarHBondContact OG1-CB 3.35Å; T43-E46 WeakPolarHBondContact OG1-CG 3.49Å; T43-E46 PolarHBondContact OG1-N 3.24Å; T43-E46 PolarHBondContact OG1-OE2 3.12Å; E46-E48 VanDerWaalsContact C-N 3.33Å; E46-M49 PolarHBondContact O-N 3.42Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 3.41Å
47I93.5Very high87.3Confident44 Ų44101.2 Ų101.223%0.22653%0.534CS..Hα-helixtrans-61.2-45.3175.1-65.7169.9000110.1W42 T43 E44 T45 L50 R51W42-I47 HydrophobicContact CB-CD1 4.11Å; W42-I47 HydrophobicContact CB-CG1 4Å; W42-I47 HydrophobicContact CD2-CG1 4.41Å; W42-I47 HydrophobicContact CE3-CG1 3.89Å; T43-I47 WeakPolarHBondContact O-CG1 3.25Å; T43-I47 PolarHBondContact O-N 3.12Å; E44-I47 PolarHBondContact O-N 3.45Å; T45-I47 VanDerWaalsContact C-N 3.34Å; I47-L50 PolarHBondContact O-N 3.4Å; I47-R51 VanDerWaalsContact CG2-CZ 3.42Å; I47-R51 VanDerWaalsContact O-CG 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.3Å; I47-R51 PolarHBondContact O-N 3.29Å
48E97.1Very high89.3Confident116 Ų11696.8 Ų96.854%0.54251%0.512SS..Hα-helixtrans-63.7-46.5176.9-178.9160.9-143.900111.1E44 T45 E46 L50 R51 L52E44-E48 WeakPolarHBondContact O-CB 3.47Å; E44-E48 PolarHBondContact O-N 2.89Å; T45-E48 PolarHBondContact O-N 2.88Å; E46-E48 VanDerWaalsContact C-N 3.33Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.99Å; E48-R51 WeakPolarHBondContact O-CB 3.32Å; E48-R51 PolarHBondContact O-N 3.43Å; E48-R51 VanDerWaalsContact O-N 3.14Å; E48-L52 HydrophobicContact CG-CD1 3.52Å; E48-L52 WeakPolarHBondContact O-CD1 3.33Å; E48-L52 PolarHBondContact O-N 3.23Å
49M96.5Very high91.4Very high128 Ų12896.1 Ų96.163%0.63149%0.493SS*.Hα-helixtrans-55.1-45174.6-76-176.563.900112.1T45 E46 L52 A53T45-M49 WeakPolarHBondContact O-CB 3.31Å; T45-M49 VanDerWaalsContact O-CG 3.31Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 2.98Å; E46-M49 PolarHBondContact O-N 3.42Å; M49-L52 PolarHBondContact O-N 3.13Å; M49-A53 VanDerWaalsContact O-CB 3.31Å; M49-A53 WeakPolarHBondContact O-CB 3.37Å; M49-A53 PolarHBondContact O-N 3.01Å
50L95.9Very high93.4Very high63 Ų6396.4 Ų96.433%0.3348%0.478SS..Hα-helixtrans-63.3-46177179.460.2000111.5L22 W42 E46 I47 E48 L52 A53 V54L22-L50 HydrophobicContact CD2-CD1 3.75Å; W42-L50 HydrophobicContact CH2-CB 4.48Å; W42-L50 HydrophobicContact CH2-CD2 3.82Å; W42-L50 HydrophobicContact CZ3-CB 4.23Å; W42-L50 HydrophobicContact CZ3-CD2 4.15Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 3.41Å; I47-L50 PolarHBondContact O-N 3.4Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.99Å; L50-L52 PolarHBondContact O-N 3.35Å; L50-A53 PolarHBondContact O-N 3.49Å; L50-V54 HydrophobicContact CD1-CG2 3.87Å; L50-V54 HydrophobicContact CG-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CB 3.41Å; L50-V54 WeakPolarHBondContact O-CG2 3.45Å; L50-V54 PolarHBondContact O-N 3.31Å
51R97.9Very high94.9Very high146 Ų14697.6 Ų97.655%0.55148%0.479SS*.Hα-helixtrans-58.5-46.4177.5-75.2172.7177.1149.51.8111.5E44 I47 E48 R55E44-R51 IonicContact OE1-NH1 3.39Å; E44-R51 PolarHBondContact OE1-NH1 2.91Å; I47-R51 VanDerWaalsContact CG2-CZ 3.42Å; I47-R51 VanDerWaalsContact O-CG 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.3Å; I47-R51 PolarHBondContact O-N 3.29Å; E48-R51 WeakPolarHBondContact O-CB 3.32Å; E48-R51 PolarHBondContact O-N 3.43Å; E48-R51 VanDerWaalsContact O-N 3.14Å; R51-R55 VanDerWaalsContact O-CB 3.25Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.3Å
52L98.4Very high95.9Very high101 Ų10193.8 Ų93.853%0.52947%0.467SS..Hα-helixtrans-63.4-45.4177.6-88.2133.9000111.8E48 M49 L50 R55 R56E48-L52 HydrophobicContact CG-CD1 3.52Å; E48-L52 WeakPolarHBondContact O-CD1 3.33Å; E48-L52 PolarHBondContact O-N 3.23Å; M49-L52 PolarHBondContact O-N 3.13Å; L50-L52 PolarHBondContact O-N 3.35Å; L52-R55 PolarHBondContact O-N 2.93Å; L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 3.19Å
53A98Very high96.5Very high60 Ų6095.3 Ų95.350%0.49648%0.48SS..Hα-helixtrans-61.7-47.2179.200000111.8M49 L50 F57M49-A53 VanDerWaalsContact O-CB 3.31Å; M49-A53 WeakPolarHBondContact O-CB 3.37Å; M49-A53 PolarHBondContact O-N 3.01Å; L50-A53 PolarHBondContact O-N 3.49Å; A53-F57 WeakPolarHBondContact O-CB 3.11Å; A53-F57 PolarHBondContact O-N 3.2Å
54V97.8Very high96.9Very high72 Ų7296.7 Ų96.744%0.43648%0.484SS..Hα-helixtrans-67.2-41.9179.5173.90000111.4L50 F57 G58L50-V54 HydrophobicContact CD1-CG2 3.87Å; L50-V54 HydrophobicContact CG-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CB 3.41Å; L50-V54 WeakPolarHBondContact O-CG2 3.45Å; L50-V54 PolarHBondContact O-N 3.31Å; V54-F57 PolarHBondContact O-N 3.1Å; V54-G58 PolarHBondContact O-N 2.89Å
55R98.4Very high97.1Very high174 Ų17493 Ų9366%0.65747%0.472SS*.Hα-helixtrans-59.3-52176.4-178.9176.5-69.6150.9-1.4111R51 L52 F57 G58 D59R51-R55 VanDerWaalsContact O-CB 3.25Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.3Å; L52-R55 PolarHBondContact O-N 2.93Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 PolarHBondContact O-N 3.47Å; R55-G58 PolarHBondContact O-N 3.19Å; R55-G58 VanDerWaalsContact O-N 3.13Å; R55-D59 PolarHBondContact O-N 3.45Å
56R98.4Very high97.3Very high175 Ų17591.1 Ų91.166%0.6646%0.46SS*.Hα-helixtrans-60.7-42.1179-178.2177.6175.4177.82.2112.2L52 G58 D59 D60L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 3.19Å; R56-G58 VanDerWaalsContact C-N 3.3Å; R56-G58 PolarHBondContact O-N 3.44Å; R56-D59 PolarHBondContact O-N 3.16Å; R56-D60 IonicContact NE-OD2 3.87Å; R56-D60 WeakPolarHBondContact O-CB 3.42Å; R56-D60 PolarHBondContact O-N 3.03Å
57F98.1Very high97.5Very high80 Ų8090 Ų9035%0.35146%0.459SS..Hα-helixtrans-58.7-43.5175.6177.4-112000111.7F19 A53 V54 R55 D60 L61F19-F57 HydrophobicContact CE2-CE1 4.15Å; F19-F57 HydrophobicContact CE2-CZ 4.48Å; F19-F57 HydrophobicContact CZ-CD1 4.22Å; F19-F57 HydrophobicContact CZ-CE1 4.09Å; A53-F57 WeakPolarHBondContact O-CB 3.11Å; A53-F57 PolarHBondContact O-N 3.2Å; V54-F57 PolarHBondContact O-N 3.1Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 PolarHBondContact O-N 3.47Å; F57-D60 PolarHBondContact O-N 3.26Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CD2-CG 4.49Å; F57-L61 HydrophobicContact CE1-CD1 3.52Å; F57-L61 HydrophobicContact CE1-CG 4.27Å; F57-L61 HydrophobicContact CE2-CD1 4.22Å; F57-L61 HydrophobicContact CE2-CD2 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.15Å; F57-L61 HydrophobicContact CZ-CD1 3.6Å; F57-L61 HydrophobicContact CZ-CD2 4.24Å; F57-L61 HydrophobicContact CZ-CG 4.04Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 2.96Å
58G97.6Very high97.6Very high37 Ų3792 Ų9238%0.38147%0.469SS..Hα-helixtrans-60.7-45.5174.400000113V54 R55 R56 L61 N62V54-G58 PolarHBondContact O-N 2.89Å; R55-G58 PolarHBondContact O-N 3.19Å; R55-G58 VanDerWaalsContact O-N 3.13Å; R56-G58 VanDerWaalsContact C-N 3.3Å; R56-G58 PolarHBondContact O-N 3.44Å; G58-L61 PolarHBondContact O-N 2.85Å; G58-N62 WeakPolarHBondContact O-CB 3Å; G58-N62 PolarHBondContact O-N 3.29Å
59D98.6Very high97.6Very high99 Ų9992.6 Ų92.653%0.52947%0.47SS..Hα-helixtrans-62-44.4177.7-65.2-28.9000111.7R55 R56 L61 N62 N63R55-D59 PolarHBondContact O-N 3.45Å; R56-D59 PolarHBondContact O-N 3.16Å; D59-L61 PolarHBondContact O-N 3.49Å; D59-N62 PolarHBondContact O-N 3.25Å; D59-N63 PolarHBondContact O-N 3.08Å
60D98.3Very high97.6Very high74 Ų7492.4 Ų92.440%0.39647%0.468SS..Hα-helixtrans-62.6-42.3177.6-73.6-26.9000111.3R56 F57 N62 N63 I64R56-D60 IonicContact NE-OD2 3.87Å; R56-D60 WeakPolarHBondContact O-CB 3.42Å; R56-D60 PolarHBondContact O-N 3.03Å; F57-D60 PolarHBondContact O-N 3.26Å; D60-N62 PolarHBondContact O-N 2.9Å; D60-N63 PolarHBondContact O-N 3.33Å; D60-I64 VanDerWaalsContact O-CG1 3.3Å; D60-I64 WeakPolarHBondContact O-CG1 3.41Å; D60-I64 PolarHBondContact O-N 3.01Å
61L97.8Very high97.6Very high66 Ų6696.5 Ų96.535%0.34648%0.479SS..Hα-helixtrans-63.3-40.4174.3-72-175.9000112.3F12 F57 G58 D59 N63 I64 S65F12-L61 HydrophobicContact CE1-CD2 4.45Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CD2-CG 4.49Å; F57-L61 HydrophobicContact CE1-CD1 3.52Å; F57-L61 HydrophobicContact CE1-CG 4.27Å; F57-L61 HydrophobicContact CE2-CD1 4.22Å; F57-L61 HydrophobicContact CE2-CD2 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.15Å; F57-L61 HydrophobicContact CZ-CD1 3.6Å; F57-L61 HydrophobicContact CZ-CD2 4.24Å; F57-L61 HydrophobicContact CZ-CG 4.04Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 2.96Å; G58-L61 PolarHBondContact O-N 2.85Å; D59-L61 PolarHBondContact O-N 3.49Å; L61-N63 VanDerWaalsContact C-N 3.35Å; L61-I64 PolarHBondContact O-N 2.98Å; L61-S65 WeakPolarHBondContact O-CB 3.41Å; L61-S65 PolarHBondContact O-N 3.22Å
62N98.1Very high97.5Very high101 Ų10192.6 Ų92.654%0.5447%0.471SS..Hα-helixtrans-65.7-38.7176.9-176.561.6000112G58 D59 D60 S65 T66G58-N62 WeakPolarHBondContact O-CB 3Å; G58-N62 PolarHBondContact O-N 3.29Å; D59-N62 PolarHBondContact O-N 3.25Å; D60-N62 PolarHBondContact O-N 2.9Å; N62-S65 WeakPolarHBondContact O-CB 3.44Å; N62-S65 PolarHBondContact O-N 2.52Å; N62-T66 PolarHBondContact O-N 2.98Å; N62-T66 PolarHBondContact O-OG1 3.41Å
63N98.5Very high97.3Very high96 Ų9692.3 Ų92.351%0.51347%0.473SS..Hα-helixtrans-62.8-48.2174-173.314000111.3D59 D60 L61 S65 T66 V67D59-N63 PolarHBondContact O-N 3.08Å; D60-N63 PolarHBondContact O-N 3.33Å; L61-N63 VanDerWaalsContact C-N 3.35Å; N63-S65 VanDerWaalsContact C-N 3.28Å; N63-S65 PolarHBondContact O-N 3Å; N63-T66 WeakPolarHBondContact O-CB 3.49Å; N63-T66 PolarHBondContact O-N 3.33Å; N63-T66 VanDerWaalsContact O-N 3.08Å; N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 2.9Å
64I97.1Very high97.1Very high95 Ų9592.2 Ų92.249%0.48747%0.473SS..Hα-helixtrans-58.1-42.4175.6-66.8164.2000110.9D60 L61 T66 V67 I68D60-I64 VanDerWaalsContact O-CG1 3.3Å; D60-I64 WeakPolarHBondContact O-CG1 3.41Å; D60-I64 PolarHBondContact O-N 3.01Å; L61-I64 PolarHBondContact O-N 2.98Å; I64-T66 VanDerWaalsContact C-N 3.32Å; I64-T66 PolarHBondContact O-N 2.96Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 HydrophobicContact CG2-CG1 4.46Å; I64-I68 WeakPolarHBondContact O-CG1 3.37Å; I64-I68 PolarHBondContact O-N 3.34Å
65S97.1Very high96.9Very high47 Ų4794.3 Ų94.333%0.32948%0.477SS..Hα-helixtrans-58.4-43.5175.5-175.10000112L61 N62 N63 I68 K69L61-S65 WeakPolarHBondContact O-CB 3.41Å; L61-S65 PolarHBondContact O-N 3.22Å; N62-S65 WeakPolarHBondContact O-CB 3.44Å; N62-S65 PolarHBondContact O-N 2.52Å; N63-S65 VanDerWaalsContact C-N 3.28Å; N63-S65 PolarHBondContact O-N 3Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-K69 WeakPolarHBondContact O-CG 3.49Å; S65-K69 PolarHBondContact O-N 3.26Å
66T97.9Very high96.6Very high53 Ų5390.8 Ų90.833%0.32547%0.471SS..Hα-helixtrans-60.3-49.3175.9-58.30000111.3N62 N63 I64 I68 K69 E70N62-T66 PolarHBondContact O-N 2.98Å; N62-T66 PolarHBondContact O-OG1 3.41Å; N63-T66 WeakPolarHBondContact O-CB 3.49Å; N63-T66 PolarHBondContact O-N 3.33Å; N63-T66 VanDerWaalsContact O-N 3.08Å; I64-T66 VanDerWaalsContact C-N 3.32Å; I64-T66 PolarHBondContact O-N 2.96Å; T66-I68 VanDerWaalsContact C-N 3.3Å; T66-I68 PolarHBondContact O-N 3.5Å; T66-K69 WeakPolarHBondContact O-CB 3.33Å; T66-K69 PolarHBondContact O-N 3.49Å; T66-K69 VanDerWaalsContact O-N 3.13Å; T66-E70 HydrophobicContact CG2-CG 4.42Å; T66-E70 WeakPolarHBondContact O-CG 3.44Å; T66-E70 PolarHBondContact O-N 2.91Å
67V97.3Very high96.4Very high62 Ų6290 Ų9038%0.37647%0.472SS..Hα-helixtrans-58.8-40.5178.1172.50000112.1N63 I64 R71N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 2.9Å; I64-V67 PolarHBondContact O-N 3.34Å; V67-R71 WeakPolarHBondContact O-CB 3.42Å; V67-R71 PolarHBondContact O-N 3.43Å
68I95.2Very high96.2Very high88 Ų8889.1 Ų89.145%0.45148%0.476SS..Hα-helixtrans-65.8-43.3177.8-68.1167.8000110.8I64 S65 T66 R71 T72I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 HydrophobicContact CG2-CG1 4.46Å; I64-I68 WeakPolarHBondContact O-CG1 3.37Å; I64-I68 PolarHBondContact O-N 3.34Å; S65-I68 PolarHBondContact O-N 2.92Å; T66-I68 VanDerWaalsContact C-N 3.3Å; T66-I68 PolarHBondContact O-N 3.5Å; I68-R71 PolarHBondContact O-N 3.4Å; I68-T72 PolarHBondContact O-N 3Å; I68-T72 PolarHBondContact O-OG1 3.32Å
69K96.3Very high95.9Very high128 Ų12890.8 Ų90.856%0.55748%0.479SS*.Hα-helixtrans-61.4-49176.6-71.6171.3-174.6173.10111.2S65 T66 R71 T72 V73S65-K69 WeakPolarHBondContact O-CG 3.49Å; S65-K69 PolarHBondContact O-N 3.26Å; T66-K69 WeakPolarHBondContact O-CB 3.33Å; T66-K69 PolarHBondContact O-N 3.49Å; T66-K69 VanDerWaalsContact O-N 3.13Å; K69-R71 VanDerWaalsContact C-N 3.33Å; K69-R71 PolarHBondContact O-N 3.46Å; K69-T72 WeakPolarHBondContact O-CB 3.4Å; K69-T72 PolarHBondContact O-N 3.03Å; K69-T72 VanDerWaalsContact O-N 3.1Å; K69-V73 WeakPolarHBondContact O-CG2 3.48Å; K69-V73 PolarHBondContact O-N 3.02Å
70E96.9Very high95.6Very high124 Ų12490.3 Ų90.358%0.57948%0.479SS*.Hα-helixtrans-58.5-44.3178.7-72.6178.5175.500112.1T66 T72 V73 A74T66-E70 HydrophobicContact CG2-CG 4.42Å; T66-E70 WeakPolarHBondContact O-CG 3.44Å; T66-E70 PolarHBondContact O-N 2.91Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.28Å; E70-V73 PolarHBondContact O-N 3.13Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.31Å
71R96.4Very high95.2Very high149 Ų14994.6 Ų94.656%0.56249%0.494SS*.Hα-helixtrans-59.1-44.8174.5-175.5-172.3-59.8154.53.4111.6V67 I68 K69 V73 A74 Q75V67-R71 WeakPolarHBondContact O-CB 3.42Å; V67-R71 PolarHBondContact O-N 3.43Å; I68-R71 PolarHBondContact O-N 3.4Å; K69-R71 VanDerWaalsContact C-N 3.33Å; K69-R71 PolarHBondContact O-N 3.46Å; R71-V73 PolarHBondContact O-N 2.8Å; R71-A74 PolarHBondContact O-N 3.35Å; R71-Q75 WeakPolarHBondContact O-CG 3.48Å; R71-Q75 PolarHBondContact O-N 3.44Å
72T95Very high94.7Very high63 Ų6398.9 Ų98.939%0.38751%0.506SS..Hα-helixtrans-62.2-44.4180-55.10000110.7I68 K69 E70 A74 Q75 I76I68-T72 PolarHBondContact O-N 3Å; I68-T72 PolarHBondContact O-OG1 3.32Å; K69-T72 WeakPolarHBondContact O-CB 3.4Å; K69-T72 PolarHBondContact O-N 3.03Å; K69-T72 VanDerWaalsContact O-N 3.1Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.28Å; T72-A74 PolarHBondContact O-N 3.23Å; T72-Q75 PolarHBondContact O-N 2.94Å; T72-I76 HydrophobicContact CG2-CD1 4.14Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 2.91Å
73V95.3Very high94Very high95 Ų95100 Ų10058%0.57651%0.506SS*.Hα-helixtrans-60.4-45.7175.2172.80000111.1K69 E70 R71 Q75 I76 K77K69-V73 WeakPolarHBondContact O-CG2 3.48Å; K69-V73 PolarHBondContact O-N 3.02Å; E70-V73 PolarHBondContact O-N 3.13Å; R71-V73 PolarHBondContact O-N 2.8Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 3.47Å; V73-I76 PolarHBondContact O-N 2.89Å; V73-K77 WeakPolarHBondContact O-CB 3.36Å; V73-K77 PolarHBondContact O-N 3.01Å
74A93.3Very high93Very high59 Ų59101.1 Ų101.149%0.48851%0.511SS..Hα-helixtrans-62.3-40.317800000112.3E70 R71 T72 K77 S78E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.31Å; R71-A74 PolarHBondContact O-N 3.35Å; T72-A74 PolarHBondContact O-N 3.23Å; A74-K77 PolarHBondContact O-N 2.93Å; A74-S78 WeakPolarHBondContact O-CB 3.36Å; A74-S78 PolarHBondContact O-N 3.33Å
75Q92.3Very high92Very high115 Ų115103.4 Ų103.454%0.53752%0.515SS..Hα-helixtrans-64.5-44176.3-75.1179.9-57.300112.2R71 T72 V73 S78 T79R71-Q75 WeakPolarHBondContact O-CG 3.48Å; R71-Q75 PolarHBondContact O-N 3.44Å; T72-Q75 PolarHBondContact O-N 2.94Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 3.47Å; Q75-S78 PolarHBondContact O-N 2.77Å; Q75-T79 WeakPolarHBondContact O-CB 3.39Å; Q75-T79 PolarHBondContact O-N 3.45Å; Q75-T79 PolarHBondContact O-OG1 3.29Å
76I93.8Very high90.8Very high101 Ų101106.6 Ų106.652%0.51853%0.525SS..Hα-helixtrans-61.6-49.8174.9-66.7166000109.7T72 V73 S78 T79 V80T72-I76 HydrophobicContact CG2-CD1 4.14Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 2.91Å; V73-I76 PolarHBondContact O-N 2.89Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.44Å; I76-T79 CarbonylContact O-C 3.6Å; I76-T79 PolarHBondContact O-N 3.35Å; I76-V80 HydrophobicContact CG2-CG2 4.12Å; I76-V80 WeakPolarHBondContact O-CG2 3.36Å; I76-V80 PolarHBondContact O-N 3.48Å
77K93.9Very high89.4Confident158 Ų158110.9 Ų110.969%0.68755%0.546SS*.Hα-helixtrans-59.5-42.6-179.7-163.1177.3-156.5174.20112.2V73 A74 T79 K81V73-K77 WeakPolarHBondContact O-CB 3.36Å; V73-K77 PolarHBondContact O-N 3.01Å; A74-K77 PolarHBondContact O-N 2.93Å; K77-T79 VanDerWaalsContact C-N 3.33Å; K77-K81 VanDerWaalsContact O-CB 3.31Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.26Å
78S92.6Very high87.6Confident61 Ų61112.4 Ų112.443%0.42756%0.559SS.*Hα-helixtrans-64.6-38.5175.1-1780000112A74 Q75 I76 R82A74-S78 WeakPolarHBondContact O-CB 3.36Å; A74-S78 PolarHBondContact O-N 3.33Å; Q75-S78 PolarHBondContact O-N 2.77Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.44Å; S78-R82 VanDerWaalsContact O-CB 3.3Å; S78-R82 WeakPolarHBondContact O-CB 3.31Å; S78-R82 PolarHBondContact O-N 3.5Å
79T92.3Very high85.7Confident72 Ų72115.1 Ų115.144%0.44256%0.564SS.*Hα-helixtrans-69.5-46.6179.3-58.30000110.5Q75 I76 K77 K81 R82 K83Q75-T79 WeakPolarHBondContact O-CB 3.39Å; Q75-T79 PolarHBondContact O-N 3.45Å; Q75-T79 PolarHBondContact O-OG1 3.29Å; I76-T79 CarbonylContact O-C 3.6Å; I76-T79 PolarHBondContact O-N 3.35Å; K77-T79 VanDerWaalsContact C-N 3.33Å; T79-K81 PolarHBondContact O-N 2.91Å; T79-R82 PolarHBondContact O-N 2.94Å; T79-K83 HydrophobicContact CG2-CG 4.29Å; T79-K83 WeakPolarHBondContact O-CB 3.42Å; T79-K83 VanDerWaalsContact O-CG 3.25Å; T79-K83 WeakPolarHBondContact O-CG 3.49Å; T79-K83 PolarHBondContact O-N 2.98Å
80V91.3Very high83.6Confident90 Ų90114.4 Ų114.455%0.54557%0.569SS.*Hα-helixtrans-60.1-46.2175.6173.10000110.9I76 R82 K83 L84I76-V80 HydrophobicContact CG2-CG2 4.12Å; I76-V80 WeakPolarHBondContact O-CG2 3.36Å; I76-V80 PolarHBondContact O-N 3.48Å; V80-R82 PolarHBondContact O-N 3.1Å; V80-K83 PolarHBondContact O-N 3.33Å; V80-L84 WeakPolarHBondContact O-CB 3.25Å; V80-L84 PolarHBondContact O-N 3.11Å
81K90.8Very high81.2Confident164 Ų164114.5 Ų114.571%0.71358%0.581SS**Hα-helixtrans-62.1-41.7177.1-175.2177.21791780112.2K77 T79 Y85K77-K81 VanDerWaalsContact O-CB 3.31Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.26Å; T79-K81 PolarHBondContact O-N 2.91Å; K81-Y85 WeakPolarHBondContact O-CB 3.35Å; K81-Y85 PolarHBondContact O-N 3.26Å
82R87.4Confident78.7Confident156 Ų156114.8 Ų114.859%0.58959%0.592SS**Hα-helixtrans-64.6-45.7176.1-171.9-171.9-54.2176.24110.8S78 T79 V80 Y85 E86S78-R82 VanDerWaalsContact O-CB 3.3Å; S78-R82 WeakPolarHBondContact O-CB 3.31Å; S78-R82 PolarHBondContact O-N 3.5Å; T79-R82 PolarHBondContact O-N 2.94Å; V80-R82 PolarHBondContact O-N 3.1Å; R82-Y85 PolarHBondContact O-N 2.99Å; R82-E86 VanDerWaalsContact O-CB 3.28Å; R82-E86 WeakPolarHBondContact O-CB 3.4Å; R82-E86 PolarHBondContact O-N 3.48Å
83K82.8Confident76.4Confident125 Ų125115.3 Ų115.354%0.54360%0.603SS.*Hα-helixtrans-63.6-41.7178.4-71.9-64.8-176-176.30111.6T79 V80 Y85 E86 D87T79-K83 HydrophobicContact CG2-CG 4.29Å; T79-K83 WeakPolarHBondContact O-CB 3.42Å; T79-K83 VanDerWaalsContact O-CG 3.25Å; T79-K83 WeakPolarHBondContact O-CG 3.49Å; T79-K83 PolarHBondContact O-N 2.98Å; V80-K83 PolarHBondContact O-N 3.33Å; K83-Y85 PolarHBondContact O-N 3.44Å; K83-E86 PolarHBondContact O-N 2.93Å; K83-D87 WeakPolarHBondContact O-CB 3.3Å; K83-D87 PolarHBondContact O-N 2.82Å
84L77.1Confident73.9Confident119 Ų119117.3 Ų117.362%0.62362%0.616SS**Hα-helixtrans-64.9-39.1175.1-170.466000112.2V80 S88V80-L84 WeakPolarHBondContact O-CB 3.25Å; V80-L84 PolarHBondContact O-N 3.11Å; L84-S88 WeakPolarHBondContact O-CB 3.35Å; L84-S88 PolarHBondContact O-N 3.22Å
85Y76.4Confident71.4Confident143 Ų143123.3 Ų123.356%0.56163%0.633SS**Hα-helixtrans-71.7-32.9176.1-177.4-124.5000112.8K81 R82 K83 R89K81-Y85 WeakPolarHBondContact O-CB 3.35Å; K81-Y85 PolarHBondContact O-N 3.26Å; R82-Y85 PolarHBondContact O-N 2.99Å; K83-Y85 PolarHBondContact O-N 3.44Å; Y85-R89 VanDerWaalsContact CE1-NE 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 2.88Å; Y85-R89 PolarHBondContact O-NE 3.05Å; Y85-R89 PolarHBondContact OH-NH1 3.35Å
86E72.8Confident69.3Low114 Ų114122.7 Ų122.753%0.53364%0.642SS.*Hα-helixtrans-75.8-39.1177.4-164.2164.1156.300111.8R82 K83 R89R82-E86 VanDerWaalsContact O-CB 3.28Å; R82-E86 WeakPolarHBondContact O-CB 3.4Å; R82-E86 PolarHBondContact O-N 3.48Å; K83-E86 PolarHBondContact O-N 2.93Å; E86-R89 PolarHBondContact O-N 2.8Å
87D68.8Low66.9Low143 Ų143124.1 Ų124.177%0.76566%0.658SS**Hα-helixtrans-73.8-31177.9-16455.7000112.3K83 R89K83-D87 WeakPolarHBondContact O-CB 3.3Å; K83-D87 PolarHBondContact O-N 2.82Å; D87-R89 VanDerWaalsContact C-N 3.25Å; D87-R89 PolarHBondContact O-N 2.8Å
88S58.3Low64.4Low94 Ų94125.9 Ų125.966%0.65767%0.665SS**THydrogen-bonded Turntrans-80.6-0.7172.9-161.90000113.3L84 V90L84-S88 WeakPolarHBondContact O-CB 3.35Å; L84-S88 PolarHBondContact O-N 3.22Å; S88-V90 PolarHBondContact O-N 3.29Å
89R55.1Low62.2Low145 Ų145132.5 Ų132.555%0.54769%0.686SS.*  trans-84.295.2168.9-45-143.8-154.6177.924.2109.5Y85 E86 D87Y85-R89 VanDerWaalsContact CE1-NE 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 2.88Å; Y85-R89 PolarHBondContact O-NE 3.05Å; Y85-R89 PolarHBondContact OH-NH1 3.35Å; E86-R89 PolarHBondContact O-N 2.8Å; D87-R89 VanDerWaalsContact C-N 3.25Å; D87-R89 PolarHBondContact O-N 2.8Å
90V53Low59.6Low112 Ų112134.8 Ų134.868%0.67970%0.7SS**  trans-43.8138.6150.4177.90000108.3S88 I92S88-V90 PolarHBondContact O-N 3.29Å; V90-I92 VanDerWaalsContact C-N 3.3Å; V90-I92 PolarHBondContact O-N 3.41Å
91P45.7Very low57.5Low127 Ų127135.7 Ų135.783%0.82571%0.706SS**  trans-62.693.2177.2-11.224.3000108.8A93P91-A93 PolarHBondContact O-N 3.08Å
92I44.6Very low55.2Low154 Ų154137.1 Ų137.179%0.7971%0.712SS**  trans-77.3110.8167.1-68176.8000105.1V90 T94V90-I92 VanDerWaalsContact C-N 3.3Å; V90-I92 PolarHBondContact O-N 3.41Å; I92-T94 PolarHBondContact O-N 3.02Å
93A46.1Very low53.2Low74 Ų74138.8 Ų138.861%0.61272%0.724SS**  trans-32.5126.4168.800000111.2P91 E95P91-A93 PolarHBondContact O-N 3.08Å; A93-E95 PolarHBondContact O-N 3.48Å
94T43.7Very low51Low138 Ų138137.9 Ų137.985%0.84774%0.739SS**  trans-6779.1167.129.50000109.1I92 S96I92-T94 PolarHBondContact O-N 3.02Å; T94-S96 PolarHBondContact O-N 2.83Å
95E40.3Very low49.2Very low184 Ų184136 Ų13686%0.8674%0.742SS**  trans-68.4115.6165.5-74.1-162.491.800109.1A93A93-E95 PolarHBondContact O-N 3.48Å
96S49.1Very low47.5Very low103 Ų103136.1 Ų136.172%0.7276%0.757SS**  trans-85.2136175.2-48.90000109.3T94T94-S96 PolarHBondContact O-N 2.83Å
97P42.8Very low45.6Very low131 Ų131134.2 Ų134.285%0.85176%0.761SS**  trans-109.3104.3149.1-1130.2000111.4
98K42.5Very low44.3Very low195 Ų195136.3 Ų136.385%0.84877%0.768SS**  trans-88.7151.6157.3-75.9179.5177172.20108.9
99K45.8Very low43.5Very low199 Ų199135.9 Ų135.987%0.86577%0.77SS**  trans80.1132170-82.1179170.3178.90114.8
100T38.2Very low43.3Very low120 Ų120134.7 Ų134.774%0.73678%0.781SS**  cis-157.4127.428.435.30000110.1
101V46.4Very low42.6Very low110 Ų110133.9 Ų133.967%0.66779%0.786SS**  73.1109.792.6178.90000116.2
102K42.5Very low42.7Very low194 Ų194133.7 Ų133.784%0.84379%0.785SS**  trans65.5151.9144.7-64.8171.3-168.5179.90117.6
103K44.4Very low42.5Very low190 Ų190132.8 Ų132.883%0.82679%0.786SS**  cis177.8133.8-8.1164.6-175.2178.6-177.50103.6
104A36.6Very low42.7Very low106 Ų106135.3 Ų135.388%0.87680%0.797SS**  trans-158.5125.1149.400000109
105A40Very low42.5Very low81 Ų81133.6 Ų133.667%0.66980%0.797SS**  trans-112.3179.6176.900000108.9
106V40.2Very low42.2Very low145 Ų145129.4 Ų129.488%0.87979%0.793SS**  trans97.9133.5162.7-171.60000113.5
107A34.8Very low42Very low74 Ų74130.2 Ų130.261%0.61280%0.796SS**  cis-177.8156.3-18.200000108.2
108M39.9Very low41.5Very low186 Ų186128 Ų12892%0.91679%0.789SS**  trans58.5141.2139-69.7172.682.800120.2
109A41.3Very low41.2Very low86 Ų86127.2 Ų127.271%0.71179%0.79SS**  cis-166.6-148700000109.7
110P52.3Low41.2Very low119 Ų119125.6 Ų125.677%0.77379%0.79SS**  -125166.2-108.838.1-19.1000118.3
111A37.8Very low41Very low95 Ų95124.7 Ų124.779%0.78579%0.794SS**  trans57.4164.9146.600000121.1
112P47.9Very low40.6Very low124 Ų124125.9 Ų125.981%0.80580%0.801SS**  cis-135.1175.79.739.1-18.3000117.8
113V40.2Very low40.7Very low134 Ų134122.2 Ų122.281%0.81280%0.798SS**  trans-93.3166.8167.9-64.10000110.5
114P50.5Low40.4Very low128 Ų128119.5 Ų119.583%0.83180%0.797SS**  -145.3176.961.431.4-5.5000113.9
115A39.2Very low40.4Very low102 Ų102119.6 Ų119.684%0.84379%0.791SS**  cis-165.2164.147.400000113.2
116A34.8Very low40.3Very low95 Ų95124.5 Ų124.579%0.78580%0.8SS**  trans-84.5-171.5-17000000114.5
117P44.6Very low40.2Very low121 Ų121124.3 Ų124.379%0.78680%0.799SS**  -151.2174.154.239-15.8000119.9
118A30.6Very low40.3Very low85 Ų85126.7 Ų126.770%0.70281%0.806SS**  trans74.2138.1156.400000117.7
119M37Very low40.4Very low177 Ų177124.5 Ų124.587%0.87280%0.802SS**  cis-154.6161.547-32.6-78.8-102.500112.3
120I45.8Very low40.2Very low166 Ų166124.1 Ų124.185%0.85180%0.799SS**  trans-58.7136176.5-63.6144.7000113.8
121A33.8Very low39.4Very low101 Ų101125.6 Ų125.684%0.83581%0.807SS**  trans-158.8115.615300000112.5
122V37.7Very low39.1Very low134 Ų134124.6 Ų124.681%0.81281%0.805SS**  trans-97.7144159.5166.90000105.2
123P46Very low38.7Very low118 Ų118127.3 Ų127.377%0.76681%0.809SS**  -148.3-168.760.839.5-15.3000112.6
124T36.8Very low38.5Very low132 Ų132129.1 Ų129.181%0.8181%0.809SS**  cis-162.1166.418.6-164.70000110
125S38Very low37.7Very low108 Ų108129.7 Ų129.776%0.75581%0.805SS**  trans-63.6149.6-171.5-55.40000117.2
126Q37.7Very low37.7Very low184 Ų184130.2 Ų130.286%0.8680%0.802SS**  trans-83.7140161.3-63.7171.67.500110
127V38.4Very low38.3Very low142 Ų142131.3 Ų131.386%0.86180%0.801SS**  trans-133.8118157.21730000108.7
128V35.2Very low37.9Very low123 Ų123130.3 Ų130.375%0.74580%0.798SS**  trans-81.7141.1163.91770000107.5
129V42.1Very low38.1Very low140 Ų140134.3 Ų134.385%0.84881%0.806SS**  trans-170.1136.2135.3164.30000109.5
130A38.5Very low38Very low78 Ų78130 Ų13065%0.64580%0.799SS**  trans-91.7-170.5-179.500000112.9
131T34.2Very low38.2Very low151 Ų151127.8 Ų127.893%0.92680%0.795SS**  trans92133.2176.768.30000114.3
132G33.3Very low39.1Very low74 Ų74127.9 Ų127.976%0.76379%0.787SS**  cis-169.5172.57.500000111
133M37.8Very low39.4Very low180 Ų180129.2 Ų129.289%0.88779%0.788SS**  trans-42.9156.1178.7-65.1127.359.800115.7
134Q37.2Very low39Very low173 Ų173132.3 Ų132.381%0.80879%0.789SS**  175.2119.8110.8-162.9156.7-53.600114.4
135N32.5Very low39.2Very low140 Ų140134.6 Ų134.675%0.74979%0.788SS**  trans46.4118.5141.2-5714000123.3
136S39.4Very low39.2Very low112 Ų112138 Ų13878%0.78379%0.792SS**  trans-85.6153.5133.1290000110
137P47.3Very low39.4Very low118 Ų118138 Ų13877%0.76679%0.789SS**  -148.7151.394.335.6-16.5000117
138S36.8Very low39.7Very low101 Ų101137.3 Ų137.371%0.70679%0.786SS**  trans57.4122.4136-153.40000122
139L34.3Very low40.5Very low168 Ų168135.6 Ų135.688%0.8878%0.784SS**  169.3125.8112.5-87.5148.8000110.8
140A35.3Very low40.9Very low87 Ų87134.8 Ų134.872%0.71978%0.776SS**  trans-114.8-174.4163.700000108.1
141P50.2Low42Very low119 Ų119137 Ų13777%0.77378%0.781SS**  cis-137.9-142.9-9.342.3-20.5000110.1
142P51.8Low43.5Very low103 Ų103134 Ų13467%0.66976%0.762SS**  cis-133175-23.236.7-18.1000114.3
143I44.2Very low44.7Very low162 Ų162137.8 Ų137.883%0.83176%0.764SS**  trans177.698.3145.4-83.2142.3000106.3
144K38.6Very low45.7Very low183 Ų183133.7 Ų133.780%0.79675%0.753SS**  72.3117.295.4-76.5-176.8-180174.90116.8
145K40.3Very low46.7Very low181 Ų181129.3 Ų129.379%0.78775%0.746SS**  trans87.9111.3150.1-63.5175.2179.2-177.10117.4
146Q38.8Very low47.8Very low178 Ų178129.5 Ų129.583%0.83275%0.747SS**  86.5129.289.6-160.3-178.8-76.100109.7
147K40.6Very low48.9Very low184 Ų184130.9 Ų130.980%0.875%0.745SS**  cis-156.8141.228.3-165.4172170.2-175.70108.2A149K147-A149 PolarHBondContact O-N 3.3Å
148T45.1Very low49.2Very low128 Ų128132.4 Ų132.479%0.78575%0.747SS**  trans-64.9116.8161.3-54.20000108.4D150T148-D150 VanDerWaalsContact C-N 3.32Å; T148-D150 PolarHBondContact O-N 3.27Å; T148-D150 VanDerWaalsContact O-N 3.08Å
149A52.5Low50.2Low87 Ų87132.4 Ų132.472%0.71975%0.747SS**  trans-79.286.3171.400000108.7K147 V151K147-A149 PolarHBondContact O-N 3.3Å; A149-V151 PolarHBondContact O-N 2.81Å
150D50Low51.3Low124 Ų124130.8 Ų130.866%0.66374%0.739SS**  trans-66.7108156.4-166.2-91.1000106.7T148 T152T148-D150 VanDerWaalsContact C-N 3.32Å; T148-D150 PolarHBondContact O-N 3.27Å; T148-D150 VanDerWaalsContact O-N 3.08Å; D150-T152 VanDerWaalsContact C-N 3.27Å; D150-T152 PolarHBondContact O-N 3.47Å; D150-T152 PolarHBondContact O-OG1 3.02Å; D150-T152 PolarHBondContact OD1-OG1 2.96Å
151V61.4Low52.5Low125 Ų125133.3 Ų133.376%0.75875%0.746SS**  trans-78.983.8177.1177.40000107.2A149A149-V151 PolarHBondContact O-N 2.81Å
152T65.9Low52.5Low86 Ų86133.2 Ų133.253%0.52874%0.739SS.*  trans-75.3131.6173.3-14.30000108.5D150 S154 A155D150-T152 VanDerWaalsContact C-N 3.27Å; D150-T152 PolarHBondContact O-N 3.47Å; D150-T152 PolarHBondContact O-OG1 3.02Å; D150-T152 PolarHBondContact OD1-OG1 2.96Å; T152-S154 PolarHBondContact O-N 2.8Å; T152-A155 PolarHBondContact O-N 3.29Å; T152-A155 VanDerWaalsContact O-N 3.11Å
153L59.3Low52.7Low154 Ų154132.8 Ų132.881%0.80674%0.738SS**G310 helixtrans-56.9-9.1-173.9-68.2170.5000115.3A155L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.42Å
154S58.6Low53Low94 Ų94132.1 Ų132.166%0.65774%0.736SS**G310 helixtrans-71.5-16.1174.3-53.70000114T152 L156T152-S154 PolarHBondContact O-N 2.8Å; S154-L156 VanDerWaalsContact C-N 3.28Å; S154-L156 PolarHBondContact O-N 2.84Å
155A57.2Low53.6Low81 Ų81129.4 Ų129.467%0.66973%0.73SS**G310 helixtrans-77.8-5.2-179.600000114.8T152 L153T152-A155 PolarHBondContact O-N 3.29Å; T152-A155 VanDerWaalsContact O-N 3.11Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.42Å
156L56.5Low54.4Low144 Ų144126.1 Ų126.175%0.75473%0.725SS**G310 helixtrans-99.43.5177.9-71.8173.9000113.6S154S154-L156 VanDerWaalsContact C-N 3.28Å; S154-L156 PolarHBondContact O-N 2.84Å
157N62.3Low55.1Low141 Ų141123.8 Ų123.875%0.75472%0.718SS**SBendtrans-109.83.8-174.6-155.266.9000114.9
158D53.7Low55.6Low151 Ų151122.8 Ų122.881%0.80772%0.72SS**  trans-100.735175.4-79.9-46.3000112.3D160D158-D160 PolarHBondContact O-N 3.16Å
159S58.1Low55.9Low101 Ų101125.3 Ų125.371%0.70672%0.722SS**  trans-75.987.8161-62.60000107.7V161S159-V161 PolarHBondContact O-N 3.37Å
160D57.9Low55.7Low133 Ų133124 Ų12471%0.71172%0.718SS**  trans-36.8103.8166.6-168.2-77.4000110.6D158 N162D158-D160 PolarHBondContact O-N 3.16Å; D160-N162 PolarHBondContact O-N 3.22Å; D160-N162 VanDerWaalsContact OD1-C 3.3Å; D160-N162 PolarHBondContact OD1-N 2.86Å
161V60.4Low55.6Low141 Ų141127.1 Ų127.186%0.85573%0.734SS**  trans-8847170.4-78.40000108.7S159S159-V161 PolarHBondContact O-N 3.37Å
162N49.9Very low54.4Low117 Ų117124.9 Ų124.963%0.62674%0.735SS**SBendtrans-162107162.1-135.6-51.8000115.7D160D160-N162 PolarHBondContact O-N 3.22Å; D160-N162 VanDerWaalsContact OD1-C 3.3Å; D160-N162 PolarHBondContact OD1-N 2.86Å
163S55.1Low53.4Low94 Ų94129.2 Ų129.266%0.65776%0.755SS**  trans49.3103142.669.20000119.2
164D51.3Low52.7Low148 Ų148125.1 Ų125.179%0.79175%0.75SS**  trans-113.383.8131.3-166.835.6000107.4V166D164-V166 VanDerWaalsContact C-N 3.35Å; D164-V166 PolarHBondContact O-N 3.11Å; D164-V166 VanDerWaalsContact O-N 3.09Å
165L50.1Low52.1Low126 Ų126125.7 Ų125.766%0.6675%0.754SS**  trans-66.997.6167.5-171.674.1000106D167L165-D167 PolarHBondContact O-N 3.41Å
166V57.4Low52Low112 Ų112126.3 Ų126.368%0.67975%0.754SS**  trans-67.388.8167.6-79.60000108.7D164 I168D164-V166 VanDerWaalsContact C-N 3.35Å; D164-V166 PolarHBondContact O-N 3.11Å; D164-V166 VanDerWaalsContact O-N 3.09Å; V166-I168 VanDerWaalsContact C-N 3.31Å; V166-I168 PolarHBondContact O-N 3.23Å
167D53Low51.3Low128 Ų128127.6 Ų127.668%0.68476%0.761SS**  trans-61.290.6164.7-72-54.3000109.1L165 E169L165-D167 PolarHBondContact O-N 3.41Å; D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.28Å
168I52Low50.6Low164 Ų164129.5 Ų129.584%0.84176%0.763SS**  trans-93.772.6160.4-81.7159.9000106.9V166V166-I168 VanDerWaalsContact C-N 3.31Å; V166-I168 PolarHBondContact O-N 3.23Å
169E51.5Low50.7Low180 Ų180132 Ų13284%0.84177%0.766SS**  trans-89.4119.8161-171.4173.8175.200108.8D167D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.28Å
170G49Very low50.3Low61 Ų61133.9 Ų133.963%0.62977%0.768SS**  trans80.192.2137.200000117.9
171L46.3Very low50Low189 Ų189134.2 Ų134.299%0.9977%0.77SS**  trans-154.2109.7134.7-133.678000110.9
172G36.7Very low49.2Very low77 Ų77135.9 Ų135.979%0.79477%0.766SS**  trans129.274.6156.100000116.4
173D44.6Very low49.5Very low178 Ų178134.1 Ų134.195%0.95276%0.756SS**  trans-60131.5157.2-150-74.7000109.6
174G44.7Very low49.1Very low68 Ų68138.2 Ų138.270%0.70177%0.765SS**  trans178.773.2-174.800000117
175S47.4Very low48.9Very low106 Ų106139.3 Ų139.374%0.74177%0.765SS**  trans75.6108143.1-156.90000120.4
176S53.4Low49.1Very low93 Ų93137.1 Ų137.165%0.6576%0.761SS**  trans22.7115.6144.764.10000119.1
177N41.8Very low48.9Very low172 Ų172138.9 Ų138.992%0.9277%0.765SS**  trans-129120.3143.2-119.1-88.9000111.5
178K48.6Very low48.8Very low181 Ų181140.3 Ų140.379%0.78777%0.773SS**  trans-69.9138.3-172.9-68.1176.3179.7177.40110.2L180K178-L180 PolarHBondContact O-N 3.23Å; K178-L180 VanDerWaalsContact O-N 3.16Å
179K55.6Low48.8Very low202 Ų202140 Ų14088%0.87877%0.773SS**  trans-37.3111.9149.6-169.1176.8-178.7-169.50110.4
180L49.9Very low48.5Very low142 Ų142136.4 Ų136.474%0.74376%0.759SS**  trans-112.698.8165.6-147.589.4000108.1K178 F182K178-L180 PolarHBondContact O-N 3.23Å; K178-L180 VanDerWaalsContact O-N 3.16Å; L180-F182 HydrophobicContact CD2-CD2 3.72Å; L180-F182 HydrophobicContact CD2-CE2 4.21Å; L180-F182 HydrophobicContact CG-CD2 4.43Å; L180-F182 PolarHBondContact O-N 3.34Å
181N50.5Low48.6Very low139 Ų139139.3 Ų139.374%0.74377%0.769SS**  trans-79.5102.8167.4-177.483.6000106.7
182F45.3Very low49.1Very low177 Ų177135.3 Ų135.378%0.77676%0.758SS**  trans-95.3108.3171.1-130.5-92.4000108.9L180 Q184L180-F182 HydrophobicContact CD2-CD2 3.72Å; L180-F182 HydrophobicContact CD2-CE2 4.21Å; L180-F182 HydrophobicContact CG-CD2 4.43Å; L180-F182 PolarHBondContact O-N 3.34Å; F182-Q184 PolarHBondContact O-N 3.45Å; F182-Q184 VanDerWaalsContact O-N 3.11Å
183D55.8Low50.1Low79 Ų79139 Ų13942%0.42276%0.758SS.*  trans-41.9105.2165.1-160.1-87.3000110.5E185 S186D183-E185 WeakPolarHBondContact OD1-CG 3.46Å; D183-S186 WeakPolarHBondContact OD1-CB 3.1Å; D183-S186 PolarHBondContact OD1-OG 2.74Å
184Q45.7Very low50.6Low181 Ų181138.2 Ų138.285%0.84675%0.752SS**  trans-114.137.6167.5-160.2170.1-3.800109.6F182F182-Q184 PolarHBondContact O-N 3.45Å; F182-Q184 VanDerWaalsContact O-N 3.11Å
185E48Very low50.9Low170 Ų170142.5 Ų142.579%0.79476%0.756SS**SBendtrans-102.3-3.9167.253.6-178.987.400112.6D183D183-E185 WeakPolarHBondContact OD1-CG 3.46Å
186S55.1Low50.6Low80 Ų80144 Ų14456%0.55976%0.756SS**SBendtrans-99.119.9-171.6-71.30000117.6D183D183-S186 WeakPolarHBondContact OD1-CB 3.1Å; D183-S186 PolarHBondContact OD1-OG 2.74Å
187L52.2Low50.4Low149 Ų149144.3 Ų144.378%0.7876%0.758SS**  trans-130.221.6-179.3-31.7-174.3000116.9L189L187-L189 PolarHBondContact O-N 3.37Å
188N51.4Low50.9Low158 Ų158140.5 Ų140.585%0.84574%0.744SS**  trans-90.160.7165.7-152.3-78.9000110.6
189L51.1Low50.7Low159 Ų159138.9 Ų138.983%0.83274%0.744SS**  trans-98104.3166-80.4164.6000108.1L187L187-L189 PolarHBondContact O-N 3.37Å
190D46.1Very low50.6Low104 Ų104136.8 Ų136.856%0.55674%0.742SS**  trans6984.5142.2-154.2-7.8000117.9S192D190-S192 PolarHBondContact O-N 3.09Å; D190-S192 WeakPolarHBondContact OD1-CA 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.38Å; D190-S192 PolarHBondContact OD1-N 3Å; D190-S192 PolarHBondContact OD1-OG 3.37Å
191S50.9Low50.6Low121 Ų121135.2 Ų135.285%0.84674%0.74SS**THydrogen-bonded Turntrans-77.521.6164-65.50000113.9
192S55.7Low51Low106 Ų106135.6 Ų135.674%0.74174%0.741SS**THydrogen-bonded Turntrans-89.3-3.3176.5-340000114.5D190D190-S192 PolarHBondContact O-N 3.09Å; D190-S192 WeakPolarHBondContact OD1-CA 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.38Å; D190-S192 PolarHBondContact OD1-N 3Å; D190-S192 PolarHBondContact OD1-OG 3.37Å
193L58.8Low51.1Low153 Ų153135 Ų13580%0.80175%0.746SS**  trans-109.40.2-167.6-160.259.3000116.3M195L193-M195 PolarHBondContact O-N 2.94Å; L193-M195 VanDerWaalsContact O-N 3.12Å
194I53.5Low50.9Low162 Ų162136 Ų13683%0.83176%0.758SS**SBendtrans-90.288.1-177.9-54.1179.1000111.4
195M51.5Low51.2Low158 Ų158142.9 Ų142.978%0.77878%0.777SS**  trans46.388.9133.3-131.514188.800117.6L193 S197L193-M195 PolarHBondContact O-N 2.94Å; L193-M195 VanDerWaalsContact O-N 3.12Å; M195-S197 PolarHBondContact O-N 2.85Å
196N41.8Very low51.3Low139 Ų139141.5 Ų141.574%0.74378%0.776SS**  trans-78.492.4155.1-168.5-5.3000108.7S198N196-S198 PolarHBondContact O-N 3.4Å; N196-S198 VanDerWaalsContact O-N 3.11Å; N196-S198 VanDerWaalsContact OD1-CB 3.25Å; N196-S198 WeakPolarHBondContact OD1-CB 3.03Å; N196-S198 PolarHBondContact OD1-N 2.96Å; N196-S198 PolarHBondContact OD1-OG 2.94Å; N196-S198 VanDerWaalsContact OD1-OG 3.13Å
197S48Very low51.1Low99 Ų99144.7 Ų144.769%0.69279%0.787SS**  trans-78.127.9174.8-580000113.4M195M195-S197 PolarHBondContact O-N 2.85Å
198S53.9Low51.1Low91 Ų91144.5 Ų144.564%0.63679%0.788SS**  trans-119.355.7-175.8-37.60000111.6N196N196-S198 PolarHBondContact O-N 3.4Å; N196-S198 VanDerWaalsContact O-N 3.11Å; N196-S198 VanDerWaalsContact OD1-CB 3.25Å; N196-S198 WeakPolarHBondContact OD1-CB 3.03Å; N196-S198 PolarHBondContact OD1-N 2.96Å; N196-S198 PolarHBondContact OD1-OG 2.94Å; N196-S198 VanDerWaalsContact OD1-OG 3.13Å
199D43.4Very low51.1Low147 Ų147143.7 Ų143.779%0.78678%0.784SS**  trans-159.392.4156.4-144.9-114.5000111.4
200L53.5Low51.1Low159 Ų159142.8 Ų142.883%0.83278%0.781SS**  trans-74.9139.6158-79.7155.4000108.2
201P49.9Very low51.4Low108 Ų108145.3 Ų145.370%0.70180%0.796SS**  trans-116.5123.4134.630.3-21.1000110.1
202L59.6Low51.4Low147 Ų147147.1 Ų147.177%0.7779%0.793SS**  trans-55.2161.4151.8-62172.3000109.6
203L47.5Very low51.1Low166 Ų166150.2 Ų150.287%0.86980%0.797SS**  trans106128.2177.2-60.3144.3000111.5
204S51.7Low50.5Low98 Ų98150 Ų15069%0.68580%0.796SS**  cis-172.8148.14.7-90.40000108.3
205R51.1Low50.2Low326 Ų326148.9 Ų148.9100%1.2379%0.793SS**  trans65.30157.5-85.5174.379.3157.93.2119.9

Retrieved 205 of 205 residues in 72.6 ms (Link to these results)