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TATA-box binding protein associated factor 9

AlphaFold DB , UniProt , Accession A0A087WQ57, Species MOUSE (Mus musculus, Mouse), Gene Taf9, Length 170 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
1M41.3Very low47.3Very low246 Ų246139.4 Ų139.4100%1.21278%0.781SS**  096.20-79.1170.2170.500107
2E35.4Very low49.5Very low195 Ų195132.8 Ų132.891%0.91174%0.741SS**  trans-12591.8168.9-168.8156.2109.600106.1G4E2-G4 PolarHBondContact O-N 3.33Å; E2-G4 VanDerWaalsContact O-N 3.09Å
3S42.1Very low52.5Low118 Ų118129.2 Ų129.283%0.82573%0.727SS**  trans-69.8103.4173.6-630000107.1K5S3-K5 PolarHBondContact O-N 3.09Å
4G44.6Very low55.1Low67 Ų67132.4 Ų132.469%0.69173%0.729SS**  trans-49.2114.1170.900000109.3E2 M6E2-G4 PolarHBondContact O-N 3.33Å; E2-G4 VanDerWaalsContact O-N 3.09Å; G4-M6 PolarHBondContact O-N 3.15Å
5K41.7Very low57.4Low207 Ų207129.3 Ų129.390%0.971%0.711SS**  trans-60.697.2-179.2-169.1170.6-178177.50108.5S3 A7S3-K5 PolarHBondContact O-N 3.09Å; K5-A7 PolarHBondContact O-N 3.26Å
6M49Very low59.4Low163 Ų163121.3 Ų121.380%0.80367%0.668SS**PPolyproline II helixtrans-59.9122.5170-78.7-160.5-83.200108.1G4 S8G4-M6 PolarHBondContact O-N 3.15Å; M6-S8 PolarHBondContact O-N 2.96Å
7A47.2Very low61.3Low69 Ų69119.6 Ų119.657%0.5765%0.654SS**PPolyproline II helixtrans-53.6134.8174.300000109.1K5K5-A7 PolarHBondContact O-N 3.26Å
8S46Very low63Low71 Ų71120.2 Ų120.250%0.49765%0.653SS.*PPolyproline II helixtrans-59.7145-176.852.90000110.8M6 K10 S11M6-S8 PolarHBondContact O-N 2.96Å; S8-K10 PolarHBondContact O-N 2.7Å; S8-S11 PolarHBondContact O-N 2.98Å; S8-S11 VanDerWaalsContact O-N 3.07Å
9P53.9Low64.4Low110 Ų110115.5 Ų115.571%0.71463%0.627SS**THydrogen-bonded Turntrans-60.2-10-175.621.1-32.4000114.5Q17P9-Q17 PolarHBondContact O-NE2 3.48Å
10K53.8Low65.6Low202 Ų202110.8 Ų110.888%0.87860%0.604SS**THydrogen-bonded Turntrans-89.3-9.7178.6-67.2-176.1179.5177.30114.8S8S8-K10 PolarHBondContact O-N 2.7Å
11S65.5Low66.8Low85 Ų85110 Ų11059%0.59460%0.596SS**SBendtrans-104.80.5178.1930000114.1S8S8-S11 PolarHBondContact O-N 2.98Å; S8-S11 VanDerWaalsContact O-N 3.07Å
12M73.6Confident69.3Low60 Ų60102.4 Ų102.430%0.29656%0.56SS.*SBendtrans-88.6132.1-175.6-169.5163.5-9600109.7A16 Q17 I36M12-A16 HydrophobicContact CG-CB 3.38Å; M12-A16 HydrophobicContact SD-CB 3.96Å; M12-Q17 HydrophobicContact CB-CG 4.41Å; M12-Q17 PolarHBondContact O-NE2 3.21Å; M12-I36 HydrophobicContact CE-CD1 4.42Å; M12-I36 HydrophobicContact SD-CD1 4.35Å
13P88.3Confident71.9Confident87 Ų8793.9 Ų93.957%0.56552%0.52SS*.  trans-61.1155.2-178.522.4-31.3000111.9D15 A16 Q17P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.34Å; P13-A16 HydrophobicContact CG-CB 3.83Å; P13-A16 WeakPolarHBondContact O-CB 3.38Å; P13-A16 PolarHBondContact O-N 3.11Å; P13-Q17 PolarHBondContact O-N 2.9Å
14K88.9Confident74.3Confident173 Ų17395.2 Ų95.275%0.75251%0.511SS*.Hα-helixtrans-52.9-42.4-175.2-70.5-178178.91800112.8A16 Q17 M18K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A16 PolarHBondContact O-N 2.95Å; K14-Q17 WeakPolarHBondContact O-CB 3.47Å; K14-Q17 PolarHBondContact O-N 3.14Å; K14-M18 WeakPolarHBondContact O-CG 3.26Å; K14-M18 PolarHBondContact O-N 2.94Å
15D89.8Confident76.7Confident86 Ų8697.7 Ų97.746%0.4651%0.509SS..Hα-helixtrans-68.3-34.5-179.2-55.7-28.4000112.1P13 Q17 M18 M19 L40P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.34Å; D15-Q17 VanDerWaalsContact C-N 3.35Å; D15-M18 WeakPolarHBondContact O-CB 3.37Å; D15-M18 PolarHBondContact O-N 2.98Å; D15-M19 WeakPolarHBondContact O-CG 3.42Å; D15-M19 PolarHBondContact O-N 3.5Å; D15-L40 HydrophobicContact CB-CD2 3.65Å
16A90.1Very high79.2Confident2 Ų294.5 Ų94.52%0.01750%0.499CS..Hα-helixtrans-69.2-34.2173.800000111.9M12 P13 K14 M19 A20 I36 L40M12-A16 HydrophobicContact CG-CB 3.38Å; M12-A16 HydrophobicContact SD-CB 3.96Å; P13-A16 HydrophobicContact CG-CB 3.83Å; P13-A16 WeakPolarHBondContact O-CB 3.38Å; P13-A16 PolarHBondContact O-N 3.11Å; K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A16 PolarHBondContact O-N 2.95Å; A16-M19 PolarHBondContact O-N 2.93Å; A16-A20 WeakPolarHBondContact O-CB 3.45Å; A16-A20 PolarHBondContact O-N 3.39Å; A16-I36 HydrophobicContact CB-CG2 3.74Å; A16-L40 HydrophobicContact CB-CD1 3.96Å
17Q90.9Very high81.2Confident93 Ų9389.5 Ų89.544%0.43549%0.489SS..Hα-helixtrans-65.3-41171.4-64.2177.6-6.100111.7P9 M12 P13 K14 D15 A20 Q21P9-Q17 PolarHBondContact O-NE2 3.48Å; M12-Q17 HydrophobicContact CB-CG 4.41Å; M12-Q17 PolarHBondContact O-NE2 3.21Å; P13-Q17 PolarHBondContact O-N 2.9Å; K14-Q17 WeakPolarHBondContact O-CB 3.47Å; K14-Q17 PolarHBondContact O-N 3.14Å; D15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-A20 PolarHBondContact O-N 3.01Å; Q17-Q21 PolarHBondContact O-N 3.17Å
18M91.1Very high83.4Confident130 Ų13089.8 Ų89.864%0.6448%0.48SS*.Hα-helixtrans-61.5-45.7174.5-68.4-96.4-7700111.3K14 D15 A20 Q21 I22K14-M18 WeakPolarHBondContact O-CG 3.26Å; K14-M18 PolarHBondContact O-N 2.94Å; D15-M18 WeakPolarHBondContact O-CB 3.37Å; D15-M18 PolarHBondContact O-N 2.98Å; M18-A20 VanDerWaalsContact C-N 3.34Å; M18-A20 PolarHBondContact O-N 3.2Å; M18-Q21 WeakPolarHBondContact O-CB 3.42Å; M18-Q21 PolarHBondContact O-N 3Å; M18-Q21 VanDerWaalsContact O-N 3.16Å; M18-I22 WeakPolarHBondContact O-CG1 3.21Å; M18-I22 PolarHBondContact O-N 3.47Å
19M90.6Very high85.3Confident30 Ų3092.5 Ų92.515%0.14849%0.494CS..Hα-helixtrans-62.7-39176.4-70.8-56.2-175.900112.5D15 A16 Q21 I22 L23 I36 M39 L40 A43D15-M19 WeakPolarHBondContact O-CG 3.42Å; D15-M19 PolarHBondContact O-N 3.5Å; A16-M19 PolarHBondContact O-N 2.93Å; M19-Q21 VanDerWaalsContact C-N 3.34Å; M19-I22 PolarHBondContact O-N 3.24Å; M19-I22 HydrophobicContact SD-CD1 4.02Å; M19-L23 WeakPolarHBondContact O-CG 3.49Å; M19-L23 PolarHBondContact O-N 2.91Å; M19-L23 VanDerWaalsContact O-N 3.13Å; M19-I36 HydrophobicContact CB-CG2 4.11Å; M19-M39 HydrophobicContact CB-CE 3.63Å; M19-M39 HydrophobicContact CE-CG 4.46Å; M19-M39 HydrophobicContact CG-CE 3.98Å; M19-M39 HydrophobicContact SD-CE 3.63Å; M19-M39 HydrophobicContact SD-CG 4.05Å; M19-M39 HydrophobicContact SD-SD 4.37Å; M19-L40 HydrophobicContact CE-CD2 3.78Å; M19-L40 HydrophobicContact CE-CG 4.5Å; M19-L40 HydrophobicContact CG-CD2 3.63Å; M19-L40 HydrophobicContact CG-CG 3.92Å; M19-A43 HydrophobicContact CE-CB 3.81Å
20A89Confident87Confident21 Ų2195.5 Ų95.517%0.17450%0.498CS..Hα-helixtrans-64.9-37.5173.600000112.2A16 Q17 M18 L23 K24 I36A16-A20 WeakPolarHBondContact O-CB 3.45Å; A16-A20 PolarHBondContact O-N 3.39Å; Q17-A20 PolarHBondContact O-N 3.01Å; M18-A20 VanDerWaalsContact C-N 3.34Å; M18-A20 PolarHBondContact O-N 3.2Å; A20-L23 PolarHBondContact O-N 2.93Å; A20-K24 PolarHBondContact O-N 3.45Å; A20-I36 HydrophobicContact CB-CD1 4.11Å
21Q90.6Very high88.8Confident94 Ų9490.2 Ų90.244%0.43947%0.473SS..Hα-helixtrans-65.7-40.7175.3-171.860.640.200111.6Q17 M18 M19 L23 K24 D25Q17-Q21 PolarHBondContact O-N 3.17Å; M18-Q21 WeakPolarHBondContact O-CB 3.42Å; M18-Q21 PolarHBondContact O-N 3Å; M18-Q21 VanDerWaalsContact O-N 3.16Å; M19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.35Å; Q21-K24 WeakPolarHBondContact O-CB 3.5Å; Q21-K24 PolarHBondContact O-N 3.31Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.47Å
22I92.9Very high90.1Very high88 Ų8892 Ų9245%0.45147%0.472SS..Hα-helixtrans-59.4-44.7174.7-67.4165.6000110.9M18 M19 K24 D25 M26M18-I22 WeakPolarHBondContact O-CG1 3.21Å; M18-I22 PolarHBondContact O-N 3.47Å; M19-I22 PolarHBondContact O-N 3.24Å; M19-I22 HydrophobicContact SD-CD1 4.02Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.28Å; I22-D25 PolarHBondContact O-N 3.03Å; I22-M26 VanDerWaalsContact O-CG 3.31Å; I22-M26 WeakPolarHBondContact O-CG 3.45Å; I22-M26 PolarHBondContact O-N 2.75Å
23L91.3Very high90.7Very high15 Ų1592.5 Ų92.58%0.07948%0.48CS..Hα-helixtrans-62.3-37.7176.8-69172000111.8M19 A20 Q21 M26 G27 I28 Y31 I36 M39M19-L23 WeakPolarHBondContact O-CG 3.49Å; M19-L23 PolarHBondContact O-N 2.91Å; M19-L23 VanDerWaalsContact O-N 3.13Å; A20-L23 PolarHBondContact O-N 2.93Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.35Å; L23-M26 PolarHBondContact O-N 2.97Å; L23-G27 PolarHBondContact O-N 3.01Å; L23-I28 HydrophobicContact CD2-CD1 4.14Å; L23-I28 PolarHBondContact O-N 2.97Å; L23-Y31 HydrophobicContact CB-CD1 4.32Å; L23-Y31 HydrophobicContact CB-CE1 4.08Å; L23-Y31 HydrophobicContact CD1-CD1 3.79Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.84Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.92Å; L23-I36 HydrophobicContact CD1-CG1 4.27Å; L23-M39 HydrophobicContact CD1-CE 4.23Å; L23-M39 HydrophobicContact CD2-CE 4.35Å; L23-M39 HydrophobicContact CG-CE 4.11Å
24K92.3Very high90.8Very high146 Ų14695.8 Ų95.864%0.63548%0.481SS*.Hα-helixtrans-66-41.9176-166-178.7-179-178.10112.3A20 Q21 I22 M26 G27A20-K24 PolarHBondContact O-N 3.45Å; Q21-K24 WeakPolarHBondContact O-CB 3.5Å; Q21-K24 PolarHBondContact O-N 3.31Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.28Å; K24-M26 VanDerWaalsContact C-N 3.26Å; K24-M26 PolarHBondContact O-N 3.21Å; K24-G27 PolarHBondContact O-N 3.08Å
25D95.3Very high91Very high120 Ų12090.1 Ų90.164%0.64246%0.461SS*.Hα-helixtrans-67.1-30.1177.6-64.7-13000111.6Q21 I22 G27Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.47Å; I22-D25 PolarHBondContact O-N 3.03Å; D25-G27 PolarHBondContact O-N 3.45Å
26M92.3Very high91.1Very high140 Ų14086.1 Ų86.169%0.6944%0.44SS*.THydrogen-bonded Turntrans-76.5-2171.6-67.8-66.9-67.300113.7I22 L23 K24 I28I22-M26 VanDerWaalsContact O-CG 3.31Å; I22-M26 WeakPolarHBondContact O-CG 3.45Å; I22-M26 PolarHBondContact O-N 2.75Å; L23-M26 PolarHBondContact O-N 2.97Å; K24-M26 VanDerWaalsContact C-N 3.26Å; K24-M26 PolarHBondContact O-N 3.21Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.31Å; M26-I28 HydrophobicContact CB-CG1 4.31Å
27G92.3Very high91.2Very high57 Ų5790.3 Ų90.359%0.58846%0.462SS*.THydrogen-bonded Turntrans76.813.8-179.400000114.8L23 K24 D25 T29L23-G27 PolarHBondContact O-N 3.01Å; K24-G27 PolarHBondContact O-N 3.08Å; D25-G27 PolarHBondContact O-N 3.45Å; G27-T29 PolarHBondContact O-N 3.41Å
28I92.4Very high91.3Very high76 Ų7690.6 Ų90.639%0.3946%0.463SS..  trans-90.5106.2-180-55.6173.3000108.9L23 M26 Y31L23-I28 HydrophobicContact CD2-CD1 4.14Å; L23-I28 PolarHBondContact O-N 2.97Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.31Å; M26-I28 HydrophobicContact CB-CG1 4.31Å; I28-Y31 HydrophobicContact CG2-CD1 4.34Å
29T86.6Confident91.3Very high127 Ų12786.9 Ų86.978%0.77945%0.445SS*.  trans-94.2-21.6-177.154.50000114G27G27-T29 PolarHBondContact O-N 3.41Å
30E90.4Very high91.5Very high173 Ų17386.5 Ų86.581%0.80844%0.443SS*.  trans-121.1117.8-178.1-65.3-173.5174.100110.1
31Y90.4Very high91.7Very high91 Ų9191.5 Ų91.536%0.35746%0.463SS..  trans-151.3153.417653.4-97.7000110.3L23 I28 I36L23-Y31 HydrophobicContact CB-CD1 4.32Å; L23-Y31 HydrophobicContact CB-CE1 4.08Å; L23-Y31 HydrophobicContact CD1-CD1 3.79Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.84Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.92Å; I28-Y31 HydrophobicContact CG2-CD1 4.34Å; Y31-I36 HydrophobicContact CD2-CD1 4.37Å; Y31-I36 HydrophobicContact CD2-CG1 4.4Å; Y31-I36 HydrophobicContact CE2-CD1 3.51Å; Y31-I36 HydrophobicContact CE2-CG1 3.98Å
32E92.3Very high91.9Very high122 Ų12293.4 Ų93.457%0.5747%0.47SS*.  trans-72.8137.7172.9-170-174.8154.500109.7R34 V35E32-R34 HydrophobicContact CG-CB 4.09Å; E32-R34 PolarHBondContact O-N 3.36Å; E32-R34 WeakPolarHBondContact OE1-CB 3.35Å; E32-V35 HydrophobicContact CB-CG2 4.27Å; E32-V35 WeakPolarHBondContact O-CB 3.38Å; E32-V35 WeakPolarHBondContact O-CG2 3.4Å; E32-V35 PolarHBondContact O-N 2.96Å
33P86.4Confident91.9Very high72 Ų7290.7 Ų90.747%0.46846%0.461SS..Hα-helixtrans-53.7-27.1177.3-27.534.5000114V35 I36P33-V35 VanDerWaalsContact C-N 3.26Å; P33-V35 PolarHBondContact O-N 2.88Å; P33-I36 PolarHBondContact O-N 3.49Å
34R91.1Very high92.1Very high156 Ų15695.6 Ų95.659%0.58948%0.482SS*.Hα-helixtrans-64.3-27.9177.6-161.8170.1-145.2-114.5-2113.4E32 I36 N37 Q38E32-R34 HydrophobicContact CG-CB 4.09Å; E32-R34 PolarHBondContact O-N 3.36Å; E32-R34 WeakPolarHBondContact OE1-CB 3.35Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.33Å; R34-N37 PolarHBondContact O-N 3.03Å; R34-Q38 HydrophobicContact CG-CG 4.48Å; R34-Q38 WeakPolarHBondContact O-CG 3.28Å; R34-Q38 PolarHBondContact O-N 3.43Å
35V92.5Very high92.3Very high54 Ų5497.6 Ų97.633%0.32749%0.485SS..Hα-helixtrans-61.7-41.2178.6176.20000110.8E32 P33 N37 Q38 M39E32-V35 HydrophobicContact CB-CG2 4.27Å; E32-V35 WeakPolarHBondContact O-CB 3.38Å; E32-V35 WeakPolarHBondContact O-CG2 3.4Å; E32-V35 PolarHBondContact O-N 2.96Å; P33-V35 VanDerWaalsContact C-N 3.26Å; P33-V35 PolarHBondContact O-N 2.88Å; V35-N37 VanDerWaalsContact C-N 3.33Å; V35-N37 PolarHBondContact O-N 3.48Å; V35-Q38 PolarHBondContact O-N 2.71Å; V35-M39 VanDerWaalsContact O-CB 3.27Å; V35-M39 WeakPolarHBondContact O-CB 3.33Å; V35-M39 PolarHBondContact O-N 3.48Å
36I91.9Very high92.2Very high2 Ų295.1 Ų95.11%0.0147%0.467CS..Hα-helixtrans-60.1-45.8177.8-66.8176.1000110.5M12 A16 M19 A20 L23 Y31 P33 R34 M39 L40M12-I36 HydrophobicContact CE-CD1 4.42Å; M12-I36 HydrophobicContact SD-CD1 4.35Å; A16-I36 HydrophobicContact CB-CG2 3.74Å; M19-I36 HydrophobicContact CB-CG2 4.11Å; A20-I36 HydrophobicContact CB-CD1 4.11Å; L23-I36 HydrophobicContact CD1-CG1 4.27Å; Y31-I36 HydrophobicContact CD2-CD1 4.37Å; Y31-I36 HydrophobicContact CD2-CG1 4.4Å; Y31-I36 HydrophobicContact CE2-CD1 3.51Å; Y31-I36 HydrophobicContact CE2-CG1 3.98Å; P33-I36 PolarHBondContact O-N 3.49Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.33Å; I36-M39 PolarHBondContact O-N 3.22Å; I36-L40 HydrophobicContact CG2-CD1 4.12Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 2.83Å
37N91.9Very high92.4Very high89 Ų8992.1 Ų92.148%0.47646%0.457SS..Hα-helixtrans-65.2-43.5-179.8-65.5-23.5000111.7R34 V35 M39 L40 E41R34-N37 PolarHBondContact O-N 3.03Å; V35-N37 VanDerWaalsContact C-N 3.33Å; V35-N37 PolarHBondContact O-N 3.48Å; N37-M39 VanDerWaalsContact C-N 3.34Å; N37-M39 PolarHBondContact O-N 3.1Å; N37-L40 PolarHBondContact O-N 3.36Å; N37-E41 WeakPolarHBondContact O-CG 3.35Å; N37-E41 PolarHBondContact O-N 3.15Å
38Q93.6Very high92.5Very high100 Ų10092.9 Ų92.947%0.46745%0.45SS..Hα-helixtrans-64.1-39.4177.1-72177.6-19.200112.2R34 V35 E41 F42R34-Q38 HydrophobicContact CG-CG 4.48Å; R34-Q38 WeakPolarHBondContact O-CG 3.28Å; R34-Q38 PolarHBondContact O-N 3.43Å; V35-Q38 PolarHBondContact O-N 2.71Å; Q38-E41 PolarHBondContact O-N 3.02Å; Q38-F42 WeakPolarHBondContact O-CB 3.33Å; Q38-F42 PolarHBondContact O-N 2.87Å
39M92.1Very high92.6Very high52 Ų5291.4 Ų91.426%0.25644%0.444SS..Hα-helixtrans-67.6-38.1177.5-167.8161.365.900111.6M19 L23 V35 I36 N37 F42 A43M19-M39 HydrophobicContact CB-CE 3.63Å; M19-M39 HydrophobicContact CE-CG 4.46Å; M19-M39 HydrophobicContact CG-CE 3.98Å; M19-M39 HydrophobicContact SD-CE 3.63Å; M19-M39 HydrophobicContact SD-CG 4.05Å; M19-M39 HydrophobicContact SD-SD 4.37Å; L23-M39 HydrophobicContact CD1-CE 4.23Å; L23-M39 HydrophobicContact CD2-CE 4.35Å; L23-M39 HydrophobicContact CG-CE 4.11Å; V35-M39 VanDerWaalsContact O-CB 3.27Å; V35-M39 WeakPolarHBondContact O-CB 3.33Å; V35-M39 PolarHBondContact O-N 3.48Å; I36-M39 PolarHBondContact O-N 3.22Å; N37-M39 VanDerWaalsContact C-N 3.34Å; N37-M39 PolarHBondContact O-N 3.1Å; M39-F42 PolarHBondContact O-N 3.29Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 3.31Å
40L93.3Very high93.1Very high22 Ų2285.8 Ų85.812%0.11541%0.41CS..Hα-helixtrans-63.4-49.5171.5-75.7171.2000111.7D15 A16 M19 I36 N37 F42 A43 F44D15-L40 HydrophobicContact CB-CD2 3.65Å; A16-L40 HydrophobicContact CB-CD1 3.96Å; M19-L40 HydrophobicContact CE-CD2 3.78Å; M19-L40 HydrophobicContact CE-CG 4.5Å; M19-L40 HydrophobicContact CG-CD2 3.63Å; M19-L40 HydrophobicContact CG-CG 3.92Å; I36-L40 HydrophobicContact CG2-CD1 4.12Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 2.83Å; N37-L40 PolarHBondContact O-N 3.36Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 2.91Å; L40-A43 PolarHBondContact O-N 3.38Å; L40-F44 HydrophobicContact CB-CD2 4.45Å; L40-F44 HydrophobicContact CB-CE2 4.42Å; L40-F44 HydrophobicContact CD2-CE2 4.22Å; L40-F44 WeakPolarHBondContact O-CD2 3.31Å; L40-F44 PolarHBondContact O-N 2.94Å
41E94.7Very high93.3Very high125 Ų12581.3 Ų81.358%0.58439%0.391SS*.Hα-helixtrans-57.3-43.7176.9-76.2178.3-167.700111.7N37 Q38 R45N37-E41 WeakPolarHBondContact O-CG 3.35Å; N37-E41 PolarHBondContact O-N 3.15Å; Q38-E41 PolarHBondContact O-N 3.02Å; E41-R45 WeakPolarHBondContact O-CB 3.31Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.29Å; E41-R45 PolarHBondContact O-N 3.27Å
42F93.9Very high93.5Very high134 Ų13480.9 Ų80.959%0.58840%0.395SS*.Hα-helixtrans-61-48.9175.4175.6-99000111.6Q38 M39 L40 F44 R45 Y46Q38-F42 WeakPolarHBondContact O-CB 3.33Å; Q38-F42 PolarHBondContact O-N 2.87Å; M39-F42 PolarHBondContact O-N 3.29Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 2.91Å; F42-F44 PolarHBondContact O-N 3.41Å; F42-R45 PolarHBondContact O-N 2.98Å; F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.38Å; F42-Y46 PolarHBondContact O-N 3.01Å
43A93.7Very high93.7Very high31 Ų3176.6 Ų76.626%0.25638%0.376SS..Hα-helixtrans-59.9-47.6179.900000111.6M19 M39 L40 Y46 V47M19-A43 HydrophobicContact CE-CB 3.81Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 3.31Å; L40-A43 PolarHBondContact O-N 3.38Å; A43-Y46 PolarHBondContact O-N 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.37Å; A43-V47 PolarHBondContact O-N 2.86Å
44F95Very high94.1Very high119 Ų11973.2 Ų73.252%0.52235%0.354SS..Hα-helixtrans-62.7-45.9177.9-77.2-63.3000111.8L40 F42 Y46 V47 T48L40-F44 HydrophobicContact CB-CD2 4.45Å; L40-F44 HydrophobicContact CB-CE2 4.42Å; L40-F44 HydrophobicContact CD2-CE2 4.22Å; L40-F44 WeakPolarHBondContact O-CD2 3.31Å; L40-F44 PolarHBondContact O-N 2.94Å; F42-F44 PolarHBondContact O-N 3.41Å; F44-Y46 PolarHBondContact O-N 3.42Å; F44-V47 PolarHBondContact O-N 2.94Å; F44-T48 VanDerWaalsContact O-CG2 3.32Å; F44-T48 WeakPolarHBondContact O-CG2 3.38Å; F44-T48 PolarHBondContact O-N 3.44Å; F44-T48 PolarHBondContact O-OG1 3.43Å
45R95.4Very high94.3Very high187 Ų18771.3 Ų71.371%0.70635%0.35SS*.Hα-helixtrans-59.8-47.3176.3-73.7179.371.41722.4111.2E41 F42 T48 T49E41-R45 WeakPolarHBondContact O-CB 3.31Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.29Å; E41-R45 PolarHBondContact O-N 3.27Å; F42-R45 PolarHBondContact O-N 2.98Å; R45-T48 WeakPolarHBondContact CA-OG1 3.48Å; R45-T48 PolarHBondContact O-N 3.25Å; R45-T48 PolarHBondContact O-OG1 3.35Å; R45-T49 WeakPolarHBondContact O-CG2 3.41Å; R45-T49 PolarHBondContact O-N 2.9Å; R45-T49 PolarHBondContact O-OG1 2.81Å
46Y94.3Very high94.5Very high69 Ų6972.9 Ų72.927%0.27136%0.355SS..Hα-helixtrans-58.2-51.4178.2-177.8-103.4000111.6F42 A43 F44 T48 T49 I50F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.38Å; F42-Y46 PolarHBondContact O-N 3.01Å; A43-Y46 PolarHBondContact O-N 3.32Å; F44-Y46 PolarHBondContact O-N 3.42Å; Y46-T48 PolarHBondContact O-N 2.96Å; Y46-T49 PolarHBondContact O-N 2.75Å; Y46-T49 PolarHBondContact O-OG1 3.23Å; Y46-I50 HydrophobicContact CD1-CG1 4.29Å; Y46-I50 HydrophobicContact CE1-CD1 4.45Å; Y46-I50 HydrophobicContact CE1-CG1 3.96Å; Y46-I50 HydrophobicContact CE2-CD1 4.3Å; Y46-I50 HydrophobicContact CE2-CG1 4.25Å; Y46-I50 VanDerWaalsContact O-CG1 3.29Å; Y46-I50 WeakPolarHBondContact O-CG1 3.29Å; Y46-I50 PolarHBondContact O-N 3.17Å
47V95.4Very high94.6Very high77 Ų7775.6 Ų75.647%0.46737%0.366SS..Hα-helixtrans-61.5-44.1179174.70000111.5A43 F44 T49 I50 L51A43-V47 WeakPolarHBondContact O-CG2 3.37Å; A43-V47 PolarHBondContact O-N 2.86Å; F44-V47 PolarHBondContact O-N 2.94Å; V47-T49 VanDerWaalsContact C-N 3.35Å; V47-T49 PolarHBondContact O-N 2.93Å; V47-I50 PolarHBondContact O-N 3.49Å; V47-L51 HydrophobicContact CG1-CD1 3.87Å; V47-L51 HydrophobicContact CG1-CG 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 3.23Å
48T96.1Very high94.7Very high72 Ų7271.6 Ų71.644%0.44235%0.345SS..Hα-helixtrans-60.2-44.317753.40000112.1F44 R45 Y46 I50 L51 D52F44-T48 VanDerWaalsContact O-CG2 3.32Å; F44-T48 WeakPolarHBondContact O-CG2 3.38Å; F44-T48 PolarHBondContact O-N 3.44Å; F44-T48 PolarHBondContact O-OG1 3.43Å; R45-T48 WeakPolarHBondContact CA-OG1 3.48Å; R45-T48 PolarHBondContact O-N 3.25Å; R45-T48 PolarHBondContact O-OG1 3.35Å; Y46-T48 PolarHBondContact O-N 2.96Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.88Å; T48-L51 PolarHBondContact O-N 3.27Å; T48-D52 VanDerWaalsContact O-CG 3.29Å; T48-D52 PolarHBondContact O-N 2.9Å
49T94.5Very high94.8Very high45 Ų4570.8 Ų70.828%0.27635%0.35SS..Hα-helixtrans-64.1-3817854.80000112.7R45 Y46 V47 D52 D53R45-T49 WeakPolarHBondContact O-CG2 3.41Å; R45-T49 PolarHBondContact O-N 2.9Å; R45-T49 PolarHBondContact O-OG1 2.81Å; Y46-T49 PolarHBondContact O-N 2.75Å; Y46-T49 PolarHBondContact O-OG1 3.23Å; V47-T49 VanDerWaalsContact C-N 3.35Å; V47-T49 PolarHBondContact O-N 2.93Å; T49-D52 PolarHBondContact O-N 3.39Å; T49-D53 VanDerWaalsContact O-CG 3.22Å; T49-D53 PolarHBondContact O-N 3.37Å
50I95.6Very high94.9Very high9 Ų975.4 Ų75.45%0.04637%0.371CS..Hα-helixtrans-65.7-42175.9-68.3-74.8000110.9Y46 V47 T48 D52 D53 A54 V71 A74 I75 R78Y46-I50 HydrophobicContact CD1-CG1 4.29Å; Y46-I50 HydrophobicContact CE1-CD1 4.45Å; Y46-I50 HydrophobicContact CE1-CG1 3.96Å; Y46-I50 HydrophobicContact CE2-CD1 4.3Å; Y46-I50 HydrophobicContact CE2-CG1 4.25Å; Y46-I50 VanDerWaalsContact O-CG1 3.29Å; Y46-I50 WeakPolarHBondContact O-CG1 3.29Å; Y46-I50 PolarHBondContact O-N 3.17Å; V47-I50 PolarHBondContact O-N 3.49Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.88Å; I50-D52 VanDerWaalsContact C-N 3.35Å; I50-D53 PolarHBondContact O-N 3.47Å; I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.49Å; I50-V71 HydrophobicContact CG2-CG1 4.21Å; I50-A74 HydrophobicContact CD1-CB 4.49Å; I50-A74 HydrophobicContact CG2-CB 4.14Å; I50-I75 HydrophobicContact CD1-CG1 4.04Å; I50-I75 HydrophobicContact CG2-CG1 4.1Å; I50-R78 HydrophobicContact CD1-CB 3.96Å; I50-R78 HydrophobicContact CD1-CG 3.64Å
51L95.3Very high94.9Very high79 Ų7976.8 Ų76.841%0.41439%0.385SS..Hα-helixtrans-69.2-33.7178.5-69.8175.4000112.3V47 T48 A54 K55V47-L51 HydrophobicContact CG1-CD1 3.87Å; V47-L51 HydrophobicContact CG1-CG 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 3.23Å; T48-L51 PolarHBondContact O-N 3.27Å; L51-A54 PolarHBondContact O-N 2.94Å; L51-K55 VanDerWaalsContact O-CG 3.31Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 3.14Å
52D95.3Very high94.9Very high82 Ų8280.1 Ų80.144%0.43940%0.398SS..Hα-helixtrans-67.4-43.8173.8-70.4-23.8000111.1T48 T49 I50 A54 K55 I56T48-D52 VanDerWaalsContact O-CG 3.29Å; T48-D52 PolarHBondContact O-N 2.9Å; T49-D52 PolarHBondContact O-N 3.39Å; I50-D52 VanDerWaalsContact C-N 3.35Å; D52-A54 PolarHBondContact O-N 3.45Å; D52-K55 PolarHBondContact O-N 3.43Å; D52-K55 IonicContact OD1-NZ 2.98Å; D52-I56 WeakPolarHBondContact O-CG1 3.41Å; D52-I56 PolarHBondContact O-N 2.9Å; D52-I56 VanDerWaalsContact O-N 3.12Å
53D95.1Very high94.8Very high33 Ų3378 Ų7818%0.17639%0.389CS..Hα-helixtrans-62.2-42.4173.9-66.3-22.2000110.9T49 I50 K55 I56 Y57 A74 R78T49-D53 VanDerWaalsContact O-CG 3.22Å; T49-D53 PolarHBondContact O-N 3.37Å; I50-D53 PolarHBondContact O-N 3.47Å; D53-K55 PolarHBondContact O-N 3.47Å; D53-I56 WeakPolarHBondContact O-CB 3.34Å; D53-I56 PolarHBondContact O-N 3.49Å; D53-I56 VanDerWaalsContact O-N 3.15Å; D53-Y57 HydrophobicContact CB-CE2 4.24Å; D53-Y57 WeakPolarHBondContact O-CD2 3.32Å; D53-Y57 PolarHBondContact O-N 3.06Å; D53-A74 HydrophobicContact CB-CB 4Å; D53-R78 IonicContact OD1-NH2 3.72Å; D53-R78 IonicContact OD2-CZ 2.7Å; D53-R78 IonicContact OD2-NE 3.77Å; D53-R78 PolarHBondContact OD2-NE 3.04Å; D53-R78 IonicContact OD2-NH2 2.94Å; D53-R78 PolarHBondContact OD2-NH2 3.15Å
54A95.9Very high94.6Very high0 Ų081.8 Ų81.80%042%0.42CS..Hα-helixtrans-63.9-37.9176.700000113.2I50 L51 D52 I56 Y57 S58 V66 D70 V71 A74I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 2.94Å; D52-A54 PolarHBondContact O-N 3.45Å; A54-I56 VanDerWaalsContact C-N 3.3Å; A54-I56 PolarHBondContact O-N 3.28Å; A54-Y57 PolarHBondContact O-N 3.46Å; A54-S58 PolarHBondContact O-N 2.78Å; A54-V66 HydrophobicContact CB-CG1 3.86Å; A54-D70 HydrophobicContact CB-CB 4.22Å; A54-V71 HydrophobicContact CB-CG2 4.08Å; A54-A74 HydrophobicContact CB-CB 4.43Å
55K95.3Very high94.6Very high117 Ų11780.6 Ų80.651%0.50942%0.422SS..Hα-helixtrans-62.6-38.6172.7-76.9171.2-173.6165.30111.9L51 D52 D53 S59 V66L51-K55 VanDerWaalsContact O-CG 3.31Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 3.14Å; D52-K55 PolarHBondContact O-N 3.43Å; D52-K55 IonicContact OD1-NZ 2.98Å; D53-K55 PolarHBondContact O-N 3.47Å; K55-S59 WeakPolarHBondContact O-CB 3.14Å; K55-S59 PolarHBondContact O-N 3.4Å; K55-S59 PolarHBondContact O-OG 2.82Å; K55-V66 HydrophobicContact CG-CG2 4.11Å
56I95.4Very high94.5Very high87 Ų8774.9 Ų74.945%0.44641%0.408SS..Hα-helixtrans-62-47.2175.5-67.6165.6000109.1D52 D53 A54 S59 H60D52-I56 WeakPolarHBondContact O-CG1 3.41Å; D52-I56 PolarHBondContact O-N 2.9Å; D52-I56 VanDerWaalsContact O-N 3.12Å; D53-I56 WeakPolarHBondContact O-CB 3.34Å; D53-I56 PolarHBondContact O-N 3.49Å; D53-I56 VanDerWaalsContact O-N 3.15Å; A54-I56 VanDerWaalsContact C-N 3.3Å; A54-I56 PolarHBondContact O-N 3.28Å; I56-S59 WeakPolarHBondContact O-CB 3.29Å; I56-S59 PolarHBondContact O-N 3.46Å; I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.39Å; I56-H60 WeakPolarHBondContact CG2-NE2 3.46Å; I56-H60 PolarHBondContact O-CD2 2.94Å; I56-H60 PolarHBondContact O-N 3.34Å
57Y94.7Very high94.5Very high59 Ų5974.4 Ų74.423%0.23141%0.41CS..Hα-helixtrans-63.2-44.6178.4-58.6-40000113.5D53 A54 S59 H60 A61 L73 A74D53-Y57 HydrophobicContact CB-CE2 4.24Å; D53-Y57 WeakPolarHBondContact O-CD2 3.32Å; D53-Y57 PolarHBondContact O-N 3.06Å; A54-Y57 PolarHBondContact O-N 3.46Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 2.9Å; Y57-H60 WeakPolarHBondContact O-CB 3.36Å; Y57-H60 PolarHBondContact O-N 3.35Å; Y57-H60 VanDerWaalsContact O-N 3.14Å; Y57-A61 PolarHBondContact O-N 3.15Å; Y57-L73 HydrophobicContact CD1-CD2 4.28Å; Y57-L73 HydrophobicContact CD2-CB 4.39Å; Y57-L73 HydrophobicContact CD2-CD2 4.12Å; Y57-L73 HydrophobicContact CD2-CG 4.24Å; Y57-L73 HydrophobicContact CE2-CD2 4.35Å; Y57-L73 HydrophobicContact CE2-CG 4.13Å; Y57-L73 HydrophobicContact CG-CD2 4.1Å; Y57-A74 HydrophobicContact CD2-CB 4.18Å; Y57-A74 HydrophobicContact CE2-CB 3.74Å
58S94.8Very high94.5Very high4 Ų474 Ų743%0.02842%0.415CS..Hα-helixtrans-57.4-42.1173.3177.20000111.6A54 A61 K62 K63 T65A54-S58 PolarHBondContact O-N 2.78Å; S58-A61 CarbonylContact O-C 3.59Å; S58-A61 PolarHBondContact O-N 3.26Å; S58-K62 PolarHBondContact O-N 2.87Å; S58-K62 VanDerWaalsContact O-N 3.15Å; S58-K63 PolarHBondContact O-N 3.45Å; S58-K63 PolarHBondContact OG-O 3.03Å; S58-T65 PolarHBondContact OG-O 2.98Å; S58-T65 VanDerWaalsContact OG-O 3.11Å
59S94.9Very high94.4Very high84 Ų8475.1 Ų75.159%0.58742%0.418SS*.Hα-helixtrans-64.5-40177.5-58.30000111.9K55 I56 Y57 A61 K62K55-S59 WeakPolarHBondContact O-CB 3.14Å; K55-S59 PolarHBondContact O-N 3.4Å; K55-S59 PolarHBondContact O-OG 2.82Å; I56-S59 WeakPolarHBondContact O-CB 3.29Å; I56-S59 PolarHBondContact O-N 3.46Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 2.9Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 3.46Å; S59-K62 PolarHBondContact O-N 2.97Å; S59-K62 VanDerWaalsContact O-N 3.09Å
60H94.7Very high94.4Very high148 Ų14873.7 Ų73.769%0.68541%0.409SS*.Hα-helixtrans-64.1-36.3173.4-77.3-69.1000112.6I56 Y57 K62I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.39Å; I56-H60 WeakPolarHBondContact CG2-NE2 3.46Å; I56-H60 PolarHBondContact O-CD2 2.94Å; I56-H60 PolarHBondContact O-N 3.34Å; Y57-H60 WeakPolarHBondContact O-CB 3.36Å; Y57-H60 PolarHBondContact O-N 3.35Å; Y57-H60 VanDerWaalsContact O-N 3.14Å; H60-K62 PolarHBondContact O-N 3.16Å
61A93.2Very high94.4Very high51 Ų5175.2 Ų75.242%0.42142%0.418SS..THydrogen-bonded Turntrans-76.8-0.2174.400000113.6Y57 S58 S59 K63Y57-A61 PolarHBondContact O-N 3.15Å; S58-A61 CarbonylContact O-C 3.59Å; S58-A61 PolarHBondContact O-N 3.26Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 3.46Å; A61-K63 HydrophobicContact CB-CD 4.08Å; A61-K63 HydrophobicContact CB-CG 4.01Å; A61-K63 PolarHBondContact O-N 3.27Å
62K94.3Very high94.4Very high195 Ų19578.8 Ų78.885%0.84843%0.426SS*.THydrogen-bonded Turntrans56.229.8-174.6-55.9178.8-178.41770113.1S58 S59 H60S58-K62 PolarHBondContact O-N 2.87Å; S58-K62 VanDerWaalsContact O-N 3.15Å; S59-K62 PolarHBondContact O-N 2.97Å; S59-K62 VanDerWaalsContact O-N 3.09Å; H60-K62 PolarHBondContact O-N 3.16Å
63K92.9Very high94.4Very high91 Ų9178.5 Ų78.540%0.39643%0.425SS..  trans-95.7140.8175.1-62.5177.9-178.6178.90109.8S58 A61 D67S58-K63 PolarHBondContact O-N 3.45Å; S58-K63 PolarHBondContact OG-O 3.03Å; A61-K63 HydrophobicContact CB-CD 4.08Å; A61-K63 HydrophobicContact CB-CG 4.01Å; A61-K63 PolarHBondContact O-N 3.27Å; K63-D67 WeakPolarHBondContact CD-OD2 3.39Å; K63-D67 IonicContact NZ-OD2 3.95Å; K63-D67 PolarHBondContact NZ-OD2 3.32Å
64A89.3Confident94.4Very high109 Ų10977 Ų7790%0.90142%0.416SS*.SBendtrans-84.6-16.3176.700000113.1
65T93.4Very high94.3Very high95 Ų9580.5 Ų80.558%0.58343%0.434SS*.SBendtrans-117.6138.6-178.353.90000110.2S58S58-T65 PolarHBondContact OG-O 2.98Å; S58-T65 VanDerWaalsContact OG-O 3.11Å
66V94Very high94.2Very high67 Ų6780.7 Ų80.741%0.40644%0.437SS..  trans-78122.7175.3-179.80000109.2A54 K55 D70 V71A54-V66 HydrophobicContact CB-CG1 3.86Å; K55-V66 HydrophobicContact CG-CG2 4.11Å; V66-D70 HydrophobicContact CG1-CB 4.14Å; V66-V71 HydrophobicContact CG1-CG2 4.05Å
67D94.7Very high94Very high59 Ų5979.1 Ų79.132%0.31643%0.433SS..  trans-93163.8178.7-67.9-30.8000111.7K63 D69 D70 V71K63-D67 WeakPolarHBondContact CD-OD2 3.39Å; K63-D67 IonicContact NZ-OD2 3.95Å; K63-D67 PolarHBondContact NZ-OD2 3.32Å; D67-D69 PolarHBondContact O-N 3.2Å; D67-D70 PolarHBondContact N-OD2 3.43Å; D67-D70 PolarHBondContact O-N 2.91Å; D67-D70 VanDerWaalsContact O-N 3.17Å; D67-V71 PolarHBondContact O-N 3.46Å
68A94.6Very high93.8Very high68 Ų6879.4 Ų79.456%0.56243%0.434SS*.Hα-helixtrans-60.3-29.6174.800000112.6V71 R72A68-V71 PolarHBondContact O-N 3.39Å; A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.49Å; A68-R72 PolarHBondContact O-N 3.37Å
69D94.5Very high93.5Very high96 Ų9680.8 Ų80.851%0.51345%0.446SS..Hα-helixtrans-72.4-32.5178.4-64.8-33.3000112.3D67 V71 R72 L73D67-D69 PolarHBondContact O-N 3.2Å; D69-V71 VanDerWaalsContact C-N 3.33Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-CZ 3.75Å; D69-R72 IonicContact OD1-NH1 3.59Å; D69-R72 PolarHBondContact OD1-NH1 3.31Å; D69-L73 WeakPolarHBondContact O-CB 3.29Å; D69-L73 PolarHBondContact O-N 3.2Å
70D94.4Very high93.1Very high14 Ų1483.5 Ų83.58%0.07545%0.453CS..Hα-helixtrans-64.9-40.9174.4-59.3-40.7000110.7A54 V66 D67 A74A54-D70 HydrophobicContact CB-CB 4.22Å; V66-D70 HydrophobicContact CG1-CB 4.14Å; D67-D70 PolarHBondContact N-OD2 3.43Å; D67-D70 PolarHBondContact O-N 2.91Å; D67-D70 VanDerWaalsContact O-N 3.17Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.46Å
71V95.6Very high92.6Very high41 Ų4183.9 Ų83.925%0.24846%0.456CS..Hα-helixtrans-68.3-41.3176.3179.50000111.2I50 A54 V66 D67 A68 D69 L73 A74 I75I50-V71 HydrophobicContact CG2-CG1 4.21Å; A54-V71 HydrophobicContact CB-CG2 4.08Å; V66-V71 HydrophobicContact CG1-CG2 4.05Å; D67-V71 PolarHBondContact O-N 3.46Å; A68-V71 PolarHBondContact O-N 3.39Å; D69-V71 VanDerWaalsContact C-N 3.33Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 3.19Å; V71-A74 PolarHBondContact O-N 3.18Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.28Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.36Å
72R95.4Very high92Very high155 Ų15585.2 Ų85.259%0.58546%0.462SS*.Hα-helixtrans-60.9-44.6176-75.9167.7176.9172-4.4111.6A68 D69 I75 Q76A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.49Å; A68-R72 PolarHBondContact O-N 3.37Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-CZ 3.75Å; D69-R72 IonicContact OD1-NH1 3.59Å; D69-R72 PolarHBondContact OD1-NH1 3.31Å; R72-I75 PolarHBondContact O-N 2.95Å; R72-Q76 WeakPolarHBondContact O-CG 3.37Å; R72-Q76 PolarHBondContact O-N 3.38Å
73L95.1Very high91.3Very high76 Ų7682 Ų8240%0.39845%0.448SS..Hα-helixtrans-62.2-45176.7-178.560.9000111.2Y57 D69 V71 I75 Q76 C77Y57-L73 HydrophobicContact CD1-CD2 4.28Å; Y57-L73 HydrophobicContact CD2-CB 4.39Å; Y57-L73 HydrophobicContact CD2-CD2 4.12Å; Y57-L73 HydrophobicContact CD2-CG 4.24Å; Y57-L73 HydrophobicContact CE2-CD2 4.35Å; Y57-L73 HydrophobicContact CE2-CG 4.13Å; Y57-L73 HydrophobicContact CG-CD2 4.1Å; D69-L73 WeakPolarHBondContact O-CB 3.29Å; D69-L73 PolarHBondContact O-N 3.2Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 3.19Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.45Å; L73-Q76 PolarHBondContact O-N 3.02Å; L73-C77 PolarHBondContact O-N 3.37Å; L73-C77 PolarHBondContact O-SG 2.91Å
74A95Very high90.8Very high0 Ų083.9 Ų83.90%047%0.467CS..Hα-helixtrans-58.5-43.2175.800000113.2I50 D53 A54 Y57 D70 V71 R78I50-A74 HydrophobicContact CD1-CB 4.49Å; I50-A74 HydrophobicContact CG2-CB 4.14Å; D53-A74 HydrophobicContact CB-CB 4Å; A54-A74 HydrophobicContact CB-CB 4.43Å; Y57-A74 HydrophobicContact CD2-CB 4.18Å; Y57-A74 HydrophobicContact CE2-CB 3.74Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.46Å; V71-A74 PolarHBondContact O-N 3.18Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 WeakPolarHBondContact O-CG 3.35Å; A74-R78 PolarHBondContact O-N 3.5Å; A74-R78 VanDerWaalsContact O-N 3.08Å
75I94.3Very high90.2Very high75 Ų7583.1 Ų83.139%0.38546%0.456SS..Hα-helixtrans-64-43.9176.6-67.3165.3000110.8I50 V71 R72 L73 R78 A79I50-I75 HydrophobicContact CD1-CG1 4.04Å; I50-I75 HydrophobicContact CG2-CG1 4.1Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.28Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.36Å; R72-I75 PolarHBondContact O-N 2.95Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.45Å; I75-R78 PolarHBondContact O-N 3.03Å; I75-A79 VanDerWaalsContact O-CB 3.31Å; I75-A79 WeakPolarHBondContact O-CB 3.23Å; I75-A79 PolarHBondContact O-N 3.13Å
76Q92.9Very high89.5Confident121 Ų12184 Ų8457%0.56546%0.463SS*.Hα-helixtrans-62.1-49.9179-76.1179.2-12.700111.9R72 L73 R78 A79 D80R72-Q76 WeakPolarHBondContact O-CG 3.37Å; R72-Q76 PolarHBondContact O-N 3.38Å; L73-Q76 PolarHBondContact O-N 3.02Å; Q76-R78 VanDerWaalsContact C-N 3.27Å; Q76-R78 PolarHBondContact O-N 3.35Å; Q76-A79 WeakPolarHBondContact O-CB 3.35Å; Q76-A79 PolarHBondContact O-N 3.44Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; Q76-D80 PolarHBondContact O-N 3.39Å
77C91.4Very high88.9Confident54 Ų5483.9 Ų83.937%0.36546%0.464SS..Hα-helixtrans-61-37178.9-66.60000112.4L73 Q81L73-C77 PolarHBondContact O-N 3.37Å; L73-C77 PolarHBondContact O-SG 2.91Å; C77-Q81 PolarHBondContact O-N 3.13Å
78R90.3Very high88.7Confident64 Ų6485.2 Ų85.224%0.24248%0.476CS..Hα-helixtrans-70.9-37.2174.9-76.6-74.3-174.3166.6-1.8112.8I50 D53 A74 I75 Q76 Q81 S82I50-R78 HydrophobicContact CD1-CB 3.96Å; I50-R78 HydrophobicContact CD1-CG 3.64Å; D53-R78 IonicContact OD1-NH2 3.72Å; D53-R78 IonicContact OD2-CZ 2.7Å; D53-R78 IonicContact OD2-NE 3.77Å; D53-R78 PolarHBondContact OD2-NE 3.04Å; D53-R78 IonicContact OD2-NH2 2.94Å; D53-R78 PolarHBondContact OD2-NH2 3.15Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 WeakPolarHBondContact O-CG 3.35Å; A74-R78 PolarHBondContact O-N 3.5Å; A74-R78 VanDerWaalsContact O-N 3.08Å; I75-R78 PolarHBondContact O-N 3.03Å; Q76-R78 VanDerWaalsContact C-N 3.27Å; Q76-R78 PolarHBondContact O-N 3.35Å; R78-Q81 PolarHBondContact O-N 3.28Å; R78-S82 WeakPolarHBondContact O-CB 3.12Å; R78-S82 PolarHBondContact O-N 2.89Å; R78-S82 PolarHBondContact O-OG 3.4Å
79A88.5Confident88.5Confident34 Ų3490.4 Ų90.428%0.28148%0.48SS..Hα-helixtrans-57.4-51.1174.900000110.2I75 Q76 Q81 S82 F83I75-A79 VanDerWaalsContact O-CB 3.31Å; I75-A79 WeakPolarHBondContact O-CB 3.23Å; I75-A79 PolarHBondContact O-N 3.13Å; Q76-A79 WeakPolarHBondContact O-CB 3.35Å; Q76-A79 PolarHBondContact O-N 3.44Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; A79-Q81 PolarHBondContact O-N 2.94Å; A79-S82 PolarHBondContact O-N 2.93Å; A79-F83 CarbonylContact O-C 3.51Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.36Å; A79-F83 PolarHBondContact O-N 3.43Å; A79-F83 VanDerWaalsContact O-O 3.07Å
80D86.3Confident88.3Confident140 Ų14091 Ų9175%0.74948%0.484SS*.Hα-helixtrans-63.4-28.7-179.1-64.6-23000113.4Q76Q76-D80 PolarHBondContact O-N 3.39Å
81Q84.9Confident88.2Confident157 Ų15795.7 Ų95.773%0.73450%0.504SS*.Hα-helixtrans-88.9-37.4-177.5-162.7170.641.100113.7C77 R78 A79C77-Q81 PolarHBondContact O-N 3.13Å; R78-Q81 PolarHBondContact O-N 3.28Å; A79-Q81 PolarHBondContact O-N 2.94Å
82S81Confident88Confident78 Ų7898.2 Ų98.255%0.54552%0.515SS..Hα-helixtrans-106.8-25.3-170.9-52.10000113.4R78 A79R78-S82 WeakPolarHBondContact O-CB 3.12Å; R78-S82 PolarHBondContact O-N 2.89Å; R78-S82 PolarHBondContact O-OG 3.4Å; A79-S82 PolarHBondContact O-N 2.93Å
83F79.9Confident88Confident127 Ų12794 Ų9456%0.55750%0.504SS*.  trans-110108.6-177.2-63.3-93.7000109.1A79 S85A79-F83 CarbonylContact O-C 3.51Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.36Å; A79-F83 PolarHBondContact O-N 3.43Å; A79-F83 VanDerWaalsContact O-O 3.07Å; F83-S85 PolarHBondContact O-N 3.37Å
84T82.4Confident88Confident131 Ų13194.4 Ų94.480%0.80451%0.506SS*.  trans-81.7115.3168.5-176.70000108.5
85S75.5Confident87.9Confident94 Ų9497.6 Ų97.666%0.65752%0.523SS*.PPolyproline II helixtrans-71.6136.9159.856.80000108.1F83F83-S85 PolarHBondContact O-N 3.37Å
86P78.3Confident87.9Confident112 Ų11295.7 Ų95.773%0.72752%0.518SS*.PPolyproline II helixtrans-53.9133.117423-32.2000109
87P82.2Confident88Confident66 Ų6697.1 Ų97.143%0.42952%0.518SS..PPolyproline II helixtrans-54143.4-179.2-25.532.7000111.1R89 F91 L92P87-R89 PolarHBondContact O-N 2.94Å; P87-F91 HydrophobicContact CB-CD1 4.05Å; P87-L92 HydrophobicContact CB-CD2 4.5Å; P87-L92 HydrophobicContact CB-CG 4.33Å
88P89.8Confident88.2Confident87 Ų87101 Ų10157%0.56553%0.531SS*.PPolyproline II helixtrans-58.6143.118023.1-31.4000110.4D90 F91 L92P88-D90 PolarHBondContact O-N 2.96Å; P88-D90 VanDerWaalsContact O-N 3.15Å; P88-F91 HydrophobicContact CG-CB 3.91Å; P88-F91 WeakPolarHBondContact O-CB 3.31Å; P88-F91 PolarHBondContact O-N 3.3Å; P88-L92 PolarHBondContact O-N 3.04Å
89R90.1Very high88.4Confident176 Ų176106.5 Ų106.566%0.66455%0.552SS**Hα-helixtrans-54.5-37.9-175.9-178.1175179.3-87.8-1.4112.3P87 F91 L92 L93P87-R89 PolarHBondContact O-N 2.94Å; R89-F91 VanDerWaalsContact C-N 3.35Å; R89-F91 PolarHBondContact O-N 3.2Å; R89-L92 PolarHBondContact O-N 3.01Å; R89-L93 HydrophobicContact CG-CD1 4.27Å; R89-L93 HydrophobicContact CG-CG 4.37Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.48Å
90D91.2Very high88.6Confident109 Ų109111 Ų11158%0.58357%0.571SS**Hα-helixtrans-65.9-38.5-178.4-57.6-36.3000111.9P88 L92 L93 D94P88-D90 PolarHBondContact O-N 2.96Å; P88-D90 VanDerWaalsContact O-N 3.15Å; D90-L92 PolarHBondContact O-N 3.34Å; D90-L93 WeakPolarHBondContact O-CB 3.46Å; D90-L93 PolarHBondContact O-N 3.37Å; D90-D94 PolarHBondContact O-N 3.01Å
91F92.5Very high89Confident113 Ų113111 Ų11150%0.49657%0.567SS.*Hα-helixtrans-62.9-42.2173.7180-106.7000111.7P87 P88 R89 L93 D94 I95P87-F91 HydrophobicContact CB-CD1 4.05Å; P88-F91 HydrophobicContact CG-CB 3.91Å; P88-F91 WeakPolarHBondContact O-CB 3.31Å; P88-F91 PolarHBondContact O-N 3.3Å; R89-F91 VanDerWaalsContact C-N 3.35Å; R89-F91 PolarHBondContact O-N 3.2Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.89Å; F91-D94 PolarHBondContact O-N 3.42Å; F91-I95 HydrophobicContact CD1-CD1 3.89Å; F91-I95 HydrophobicContact CE1-CD1 3.44Å; F91-I95 VanDerWaalsContact CE1-CD1 3.44Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.73Å; F91-I95 WeakPolarHBondContact O-CG1 3.44Å; F91-I95 PolarHBondContact O-N 2.9Å; F91-I95 VanDerWaalsContact O-N 3.14Å
92L92.3Very high89.4Confident94 Ų94108.3 Ų108.349%0.49256%0.561SS.*Hα-helixtrans-65.6-36174.3-69.6174.6000112.3P87 P88 R89 D90 A96P87-L92 HydrophobicContact CB-CD2 4.5Å; P87-L92 HydrophobicContact CB-CG 4.33Å; P88-L92 PolarHBondContact O-N 3.04Å; R89-L92 PolarHBondContact O-N 3.01Å; D90-L92 PolarHBondContact O-N 3.34Å; L92-A96 VanDerWaalsContact O-CB 3.29Å; L92-A96 WeakPolarHBondContact O-CB 3.27Å; L92-A96 PolarHBondContact O-N 2.87Å
93L94.8Very high89.8Confident67 Ų67109.8 Ų109.835%0.35157%0.569SS.*Hα-helixtrans-67.5-36.9176.3-76.1176.8000112.6R89 D90 F91 A96 R97R89-L93 HydrophobicContact CG-CD1 4.27Å; R89-L93 HydrophobicContact CG-CG 4.37Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.48Å; D90-L93 WeakPolarHBondContact O-CB 3.46Å; D90-L93 PolarHBondContact O-N 3.37Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.89Å; L93-A96 PolarHBondContact O-N 3.41Å; L93-R97 WeakPolarHBondContact O-CB 3.43Å; L93-R97 PolarHBondContact O-N 3.34Å
94D93.7Very high90.2Very high83 Ų83111.3 Ų111.344%0.44458%0.582SS.*Hα-helixtrans-67.5-43.5175.9-72.9-23.8000111.5D90 F91 A96 R97 Q98D90-D94 PolarHBondContact O-N 3.01Å; F91-D94 PolarHBondContact O-N 3.42Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 3.32Å; D94-R97 PolarHBondContact O-N 3.49Å; D94-R97 IonicContact OD1-CZ 2.71Å; D94-R97 IonicContact OD1-NH1 2.86Å; D94-R97 PolarHBondContact OD1-NH1 2.94Å; D94-R97 IonicContact OD1-NH2 3.36Å; D94-Q98 PolarHBondContact O-N 3.3Å
95I93.8Very high90.4Very high68 Ų68110.3 Ų110.335%0.34958%0.578SS.*Hα-helixtrans-59.6-45.9171.8-66.1169.9000110.2F91 R97 Q98 R99F91-I95 HydrophobicContact CD1-CD1 3.89Å; F91-I95 HydrophobicContact CE1-CD1 3.44Å; F91-I95 VanDerWaalsContact CE1-CD1 3.44Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.73Å; F91-I95 WeakPolarHBondContact O-CG1 3.44Å; F91-I95 PolarHBondContact O-N 2.9Å; F91-I95 VanDerWaalsContact O-N 3.14Å; I95-R97 VanDerWaalsContact C-N 3.35Å; I95-R97 PolarHBondContact O-N 2.86Å; I95-Q98 PolarHBondContact O-N 2.99Å; I95-R99 HydrophobicContact CG2-CG 4.22Å; I95-R99 WeakPolarHBondContact O-CB 3.34Å; I95-R99 VanDerWaalsContact O-CG 3.29Å; I95-R99 WeakPolarHBondContact O-CG 3.41Å; I95-R99 PolarHBondContact O-N 3.07Å
96A94.6Very high90.8Very high34 Ų34113.9 Ų113.928%0.28159%0.589SS.*Hα-helixtrans-60.9-44.117800000111.3L92 L93 D94 Q98 R99 N100L92-A96 VanDerWaalsContact O-CB 3.29Å; L92-A96 WeakPolarHBondContact O-CB 3.27Å; L92-A96 PolarHBondContact O-N 2.87Å; L93-A96 PolarHBondContact O-N 3.41Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 3.32Å; A96-Q98 PolarHBondContact O-N 2.94Å; A96-R99 PolarHBondContact O-N 3.37Å; A96-N100 WeakPolarHBondContact O-CB 3.48Å; A96-N100 PolarHBondContact O-N 3.44Å; A96-N100 PolarHBondContact O-ND2 3.38Å; A96-N100 PolarHBondContact O-OD1 3.25Å
97R95.3Very high90.9Very high151 Ų151116.5 Ų116.557%0.5760%0.595SS**Hα-helixtrans-59.9-45.6176.6-166.5-174.2-61.1118.44.3110.8L93 D94 I95 Q101L93-R97 WeakPolarHBondContact O-CB 3.43Å; L93-R97 PolarHBondContact O-N 3.34Å; D94-R97 PolarHBondContact O-N 3.49Å; D94-R97 IonicContact OD1-CZ 2.71Å; D94-R97 IonicContact OD1-NH1 2.86Å; D94-R97 PolarHBondContact OD1-NH1 2.94Å; D94-R97 IonicContact OD1-NH2 3.36Å; I95-R97 VanDerWaalsContact C-N 3.35Å; I95-R97 PolarHBondContact O-N 2.86Å; R97-Q101 VanDerWaalsContact O-CG 3.29Å; R97-Q101 WeakPolarHBondContact O-CG 3.4Å; R97-Q101 PolarHBondContact O-N 3.47Å
98Q95.4Very high90.5Very high136 Ų136121.7 Ų121.764%0.63661%0.61SS**Hα-helixtrans-63.7-42.3178.1-173.2-179-1.200112.3D94 I95 A96D94-Q98 PolarHBondContact O-N 3.3Å; I95-Q98 PolarHBondContact O-N 2.99Å; A96-Q98 PolarHBondContact O-N 2.94Å
99R93.3Very high89.9Confident180 Ų180123.9 Ų123.968%0.67963%0.625SS**Hα-helixtrans-71.3-39.8179.2-66.3-62.1-66.1159.7-2.4112.3I95 A96 Q101 T102I95-R99 HydrophobicContact CG2-CG 4.22Å; I95-R99 WeakPolarHBondContact O-CB 3.34Å; I95-R99 VanDerWaalsContact O-CG 3.29Å; I95-R99 WeakPolarHBondContact O-CG 3.41Å; I95-R99 PolarHBondContact O-N 3.07Å; A96-R99 PolarHBondContact O-N 3.37Å; R99-Q101 VanDerWaalsContact C-N 3.26Å; R99-Q101 PolarHBondContact O-N 3.32Å; R99-T102 PolarHBondContact O-N 3.36Å
100N94.4Very high88.8Confident129 Ų129124.9 Ų124.969%0.6963%0.63SS**Hα-helixtrans-77-9-177.5-63.8-12.2000113.6A96 T102A96-N100 WeakPolarHBondContact O-CB 3.48Å; A96-N100 PolarHBondContact O-N 3.44Å; A96-N100 PolarHBondContact O-ND2 3.38Å; A96-N100 PolarHBondContact O-OD1 3.25Å; N100-T102 PolarHBondContact O-N 3.48Å
101Q94.8Very high87.6Confident140 Ų140125.4 Ų125.465%0.65464%0.642SS**THydrogen-bonded Turntrans-65.3-26170.5-81.8167.422.900112.8R97 R99 P103R97-Q101 VanDerWaalsContact O-CG 3.29Å; R97-Q101 WeakPolarHBondContact O-CG 3.4Å; R97-Q101 PolarHBondContact O-N 3.47Å; R99-Q101 VanDerWaalsContact C-N 3.26Å; R99-Q101 PolarHBondContact O-N 3.32Å; Q101-P103 VanDerWaalsContact O-CD 3.31Å; Q101-P103 WeakPolarHBondContact O-CD 3.43Å
102T91.8Very high87Confident100 Ų100122.2 Ų122.261%0.61364%0.641SS**SBendtrans-79114177.4-53.30000108.6R99 N100R99-T102 PolarHBondContact O-N 3.36Å; N100-T102 PolarHBondContact O-N 3.48Å
103P89.3Confident86.3Confident109 Ų109123.7 Ų123.771%0.70866%0.656SS**PPolyproline II helixtrans-62.8150.7179.227.5-34.5000110.3Q101Q101-P103 VanDerWaalsContact O-CD 3.31Å; Q101-P103 WeakPolarHBondContact O-CD 3.43Å
104L88.7Confident85.4Confident159 Ų159131.2 Ų131.283%0.83268%0.68SS**PPolyproline II helixtrans-62.5141.1178.9-64174.5000110.5
105P87Confident84.8Confident110 Ų110133.4 Ų133.471%0.71469%0.691SS**PPolyproline II helixtrans-58141.9172.5-22.933.2000111.2I107P105-I107 PolarHBondContact O-N 3.4Å
106L83.8Confident84.4Confident169 Ų169133.4 Ų133.489%0.88570%0.695SS**PPolyproline II helixtrans-60129.1178.2-69.886.9000110.5K108L106-K108 PolarHBondContact O-N 3.21Å
107I81.4Confident83.8Confident166 Ų166135.2 Ų135.285%0.85171%0.705SS**  trans-75.5114.1176.3-55.4172.4000107.6P105P105-I107 PolarHBondContact O-N 3.4Å
108K73.7Confident83.1Confident175 Ų175134 Ų13476%0.76171%0.709SS**  trans-75142.9170.1-69.2-173.3178.9-174.60109L106 Y110L106-K108 PolarHBondContact O-N 3.21Å; K108-Y110 PolarHBondContact O-N 3.32Å
109P77.1Confident82.4Confident134 Ų134137.5 Ų137.587%0.8772%0.717SS**SBendtrans-71.824.2-177.330.6-36.4000114.3
110Y66.8Low81.8Confident196 Ų196136.7 Ų136.777%0.76972%0.715SS**  trans-82.4119.1177.2-172.3-96.5000109.4K108 G112K108-Y110 PolarHBondContact O-N 3.32Å; Y110-G112 PolarHBondContact O-N 3.24Å
111S66.1Low81.3Confident121 Ų121131.8 Ų131.885%0.84669%0.69SS**  trans-69.395.9176.6-550000110.4
112G78.8Confident80.8Confident45 Ų45133 Ų13346%0.46470%0.7SS.*SBendtrans165.9160.417000000115Y110 R114Y110-G112 PolarHBondContact O-N 3.24Å; G112-R114 PolarHBondContact O-N 2.96Å
113P78.8Confident80.3Confident126 Ų126133.1 Ų133.182%0.81870%0.701SS**  trans-65.8125.3175.425.9-31.5000110.5L115P113-L115 PolarHBondContact O-N 3.4Å
114R75.4Confident79.9Confident225 Ų225131.1 Ų131.185%0.84969%0.694SS**  trans-80104.7177.3-175173.7-176.6-94.41.4109.8G112G112-R114 PolarHBondContact O-N 2.96Å
115L81.8Confident79.6Confident128 Ų128128.2 Ų128.267%0.6769%0.685SS**PPolyproline II helixtrans-70.9147.4168.8-63.5177000110.2P113P113-L115 PolarHBondContact O-N 3.4Å
116P83.9Confident79.3Confident68 Ų68130.2 Ų130.244%0.44269%0.689SS.*PPolyproline II helixtrans-53.4161.2162.8-24.235.1000111.1C121P116-C121 PolarHBondContact O-SG 2.75Å
117P83.3Confident79.3Confident73 Ų73130.2 Ų130.247%0.47468%0.679SS.*PPolyproline II helixtrans-49.9144.9169.4-2430.2000111.2R119 Y120 C121P117-R119 PolarHBondContact O-N 3.18Å; P117-Y120 HydrophobicContact CB-CD2 3.91Å; P117-Y120 HydrophobicContact CB-CE2 4.35Å; P117-Y120 HydrophobicContact CG-CD2 3.9Å; P117-Y120 HydrophobicContact CG-CE2 4.18Å; P117-Y120 WeakPolarHBondContact O-CA 3.44Å; P117-Y120 PolarHBondContact O-N 3.08Å; P117-C121 PolarHBondContact O-N 2.97Å
118D79.2Confident79.3Confident126 Ų126133.8 Ų133.867%0.67468%0.681SS**G310 helixtrans-51.7-31.4-173.5-172.758.1000113.9Y120 C121D118-Y120 PolarHBondContact O-N 3.36Å; D118-C121 WeakPolarHBondContact O-CB 3.43Å; D118-C121 PolarHBondContact O-N 2.88Å
119R80.9Confident79.8Confident209 Ų209132.9 Ų132.979%0.78968%0.684SS**G310 helixtrans-61-23.9173.8-60.1-172.2-61.9-178.80.4114.7P117P117-R119 PolarHBondContact O-N 3.18Å
120Y81.5Confident79.9Confident163 Ų163135 Ų13564%0.63968%0.679SS**G310 helixtrans-105.44.1176.2-54.1-68.7000111.9P117 D118P117-Y120 HydrophobicContact CB-CD2 3.91Å; P117-Y120 HydrophobicContact CB-CE2 4.35Å; P117-Y120 HydrophobicContact CG-CD2 3.9Å; P117-Y120 HydrophobicContact CG-CE2 4.18Å; P117-Y120 WeakPolarHBondContact O-CA 3.44Å; P117-Y120 PolarHBondContact O-N 3.08Å; D118-Y120 PolarHBondContact O-N 3.36Å
121C84Confident80.4Confident26 Ų26130.6 Ų130.618%0.17668%0.677CS.*SBendtrans-90.8133.8172.4-70.80000109.9P116 P117 D118 T123P116-C121 PolarHBondContact O-SG 2.75Å; P117-C121 PolarHBondContact O-N 2.97Å; D118-C121 WeakPolarHBondContact O-CB 3.43Å; D118-C121 PolarHBondContact O-N 2.88Å; C121-T123 VanDerWaalsContact CB-OG1 3.28Å; C121-T123 WeakPolarHBondContact CB-OG1 3.28Å; C121-T123 PolarHBondContact O-N 3.04Å; C121-T123 VanDerWaalsContact O-N 3.08Å
122L83.3Confident80.8Confident164 Ų164132.9 Ų132.986%0.85968%0.679SS**THydrogen-bonded Turntrans-84.341.4175.7-61.3174.2000111.6
123T82.4Confident80.3Confident104 Ų104139.2 Ų139.264%0.63870%0.697SS**THydrogen-bonded Turntrans-91-21.7-178.725.60000112.7C121C121-T123 VanDerWaalsContact CB-OG1 3.28Å; C121-T123 WeakPolarHBondContact CB-OG1 3.28Å; C121-T123 PolarHBondContact O-N 3.04Å; C121-T123 VanDerWaalsContact O-N 3.08Å
124A80.9Confident79.4Confident66 Ų66142.3 Ų142.355%0.54570%0.697SS.*SBendtrans-74.3137.8179.200000111.4N126A124-N126 PolarHBondContact O-N 2.81Å; A124-N126 VanDerWaalsContact O-N 3.15Å
125P80.9Confident78.7Confident99 Ų99141 Ų14164%0.64370%0.698SS**  trans-60.9117.5173.4-20.531000111.3Y127P125-Y127 HydrophobicContact CB-CE1 4.46Å; P125-Y127 PolarHBondContact O-N 3.26Å
126N81.7Confident77.6Confident152 Ų152138.7 Ų138.781%0.81370%0.697SS**SBendtrans-7810.3174.9-71.8-30.8000113.6A124A124-N126 PolarHBondContact O-N 2.81Å; A124-N126 VanDerWaalsContact O-N 3.15Å
127Y84.1Confident75.9Confident169 Ų169141 Ų14166%0.66371%0.712SS**  trans-137.3143.9-179.464.7-85.9000110.7P125 L129P125-Y127 HydrophobicContact CB-CE1 4.46Å; P125-Y127 PolarHBondContact O-N 3.26Å; Y127-L129 HydrophobicContact CE2-CD1 4.1Å
128R81.7Confident74.8Confident241 Ų241141.6 Ų141.691%0.90972%0.723SS**  trans-116.1120167.6-65.5-177.884.11685.3107.8K130R128-K130 PolarHBondContact O-N 3.15Å
129L82.2Confident73.4Confident156 Ų156141.7 Ų141.782%0.81773%0.731SS**PPolyproline II helixtrans-64.3122.2169.2-87.2135.8000108.2Y127 S131Y127-L129 HydrophobicContact CE2-CD1 4.1Å; L129-S131 PolarHBondContact O-N 3.2Å
130K80.4Confident72.1Confident177 Ų177137 Ų13777%0.7774%0.736SS**PPolyproline II helixtrans-66.3116.3166.9-67.7-178179.7178.90106.4R128 L132R128-K130 PolarHBondContact O-N 3.15Å; K130-L132 PolarHBondContact O-N 3.27Å; K130-L132 VanDerWaalsContact O-N 3.08Å
131S77.9Confident70.8Confident104 Ų104132.6 Ų132.673%0.72774%0.741SS**PPolyproline II helixtrans-57.7118170.757.30000107.7L129 Q133L129-S131 PolarHBondContact O-N 3.2Å; S131-Q133 PolarHBondContact O-N 3.27Å
132L72.8Confident69.2Low169 Ų169142.4 Ų142.489%0.88577%0.774SS**  trans-65.1107.7169.5-156.874.4000105.5K130 K134K130-L132 PolarHBondContact O-N 3.27Å; K130-L132 VanDerWaalsContact O-N 3.08Å; L132-K134 PolarHBondContact O-N 3.01Å
133Q68.8Low67.7Low179 Ų179142.7 Ų142.784%0.83678%0.775SS**  trans-56.8107.7172.6-73.6-175.3-27.600106.4S131 K135S131-Q133 PolarHBondContact O-N 3.27Å; Q133-K135 PolarHBondContact O-N 3.09Å
134K59.5Low66.4Low191 Ų191143.3 Ų143.383%0.8378%0.779SS**  trans-65.192.5171.2-173.7175.5-177.5176.60105.5L132 A136L132-K134 PolarHBondContact O-N 3.01Å; K134-A136 PolarHBondContact O-N 3.37Å
135K61Low64.8Low196 Ų196146.6 Ų146.685%0.85279%0.792SS**  trans-55.3114.6167.2-141.3174.6-177179.80104.5Q133Q133-K135 PolarHBondContact O-N 3.09Å
136A59.4Low63.2Low80 Ų80147.9 Ų147.966%0.66180%0.8SS**PPolyproline II helixtrans-49.1139.5178.400000108.5K134 A138K134-A136 PolarHBondContact O-N 3.37Å; A136-A138 PolarHBondContact O-N 3.2Å
137P48Very low61.8Low117 Ų117151.9 Ų151.976%0.7680%0.804SS**PPolyproline II helixtrans-58.1117.9176.823.8-30.4000107.9
138A59.7Low59.8Low85 Ų85152 Ų15270%0.70282%0.815SS**PPolyproline II helixtrans-60144167.200000108.2A136 A140A136-A138 PolarHBondContact O-N 3.2Å; A138-A140 PolarHBondContact O-N 3Å
139P50.5Low58.6Low128 Ų128145.8 Ų145.883%0.83181%0.808SS**PPolyproline II helixtrans-56.2138.8-179.923.5-32.2000110.5G141P139-G141 PolarHBondContact O-N 3.08Å
140A52.6Low56.9Low110 Ų110145.2 Ų145.291%0.90981%0.811SS**SBendtrans-52.2127.4-17100000112.6A138A138-A140 PolarHBondContact O-N 3Å
141G54.5Low55.2Low71 Ų71139.9 Ų139.973%0.73281%0.806SS**  trans164.137.6171.100000118.7P139P139-G141 PolarHBondContact O-N 3.08Å
142R50.2Low54.1Low233 Ų233140.3 Ų140.388%0.87981%0.809SS**  trans-174.2126.7151.4-129.5168167.9161.1-4.5111.8T144R142-T144 PolarHBondContact O-N 3.28Å
143I52.3Low52.8Low170 Ų170139.3 Ų139.387%0.87281%0.81SS**  trans-79.5115173-58.4170.2000108
144T54.6Low51.8Low117 Ų117135.1 Ų135.172%0.71880%0.8SS**  trans-131.1126163.855.50000108.7R142R142-T144 PolarHBondContact O-N 3.28Å
145V48Very low51Low134 Ų134131.5 Ų131.581%0.81280%0.799SS**PPolyproline II helixtrans-57.9138.1-176.8-70.50000112.6R147V145-R147 PolarHBondContact O-N 2.85Å
146P47.8Very low50.3Low126 Ų126132.9 Ų132.982%0.81880%0.799SS**PPolyproline II helixtrans-83119.4178.827.7-23.9000111.1
147R52.8Low49.4Very low237 Ų237134.9 Ų134.989%0.89481%0.805SS**PPolyproline II helixtrans-78.4120.6164.8-178.3-166.6175.1164.51.7108.9V145 S149V145-R147 PolarHBondContact O-N 2.85Å; R147-S149 PolarHBondContact O-N 2.79Å
148L42.2Very low49.2Very low170 Ų170134.9 Ų134.989%0.8981%0.808SS**PPolyproline II helixtrans-63.7118.9171.6-79134.2000110.2
149S54.5Low48.7Very low111 Ų111136.8 Ų136.878%0.77681%0.811SS**  trans-108.1117.3168.8-173.70000108.4R147 G151R147-S149 PolarHBondContact O-N 2.79Å; S149-G151 PolarHBondContact O-N 3.01Å
150V47.9Very low48.4Very low145 Ų145136.9 Ų136.988%0.87981%0.812SS**  trans-72.7110.1174.9174.40000107.8
151G44.3Very low48Very low65 Ų65138.3 Ų138.367%0.6781%0.809SS**  trans-69132.6179.300000112S149S149-G151 PolarHBondContact O-N 3.01Å
152S54.1Low47.4Very low112 Ų112143 Ų14378%0.78382%0.817SS**  trans-73.1128.7175.950.40000111.8S154S152-S154 PolarHBondContact O-N 3.49Å
153V46.8Very low47Very low148 Ų148135.4 Ų135.490%0.89781%0.81SS**  trans-77.2108.6168.9-70.20000108.6
154S48.1Very low46.8Very low92 Ų92133.5 Ų133.564%0.64381%0.807SS**  trans-101.9103.1168.8-172.20000108.4S152 R156S152-S154 PolarHBondContact O-N 3.49Å; S154-R156 PolarHBondContact O-N 3.01Å
155S40.8Very low46.2Very low114 Ų114134 Ų13480%0.79781%0.812SS**  trans-81.4103.2168.850.70000108.7
156R46.6Very low46.1Very low226 Ų226133.9 Ų133.985%0.85381%0.812SS**  trans-98.3116.8164.2-112.1-177.6179.3-140.70.6108.7S154 S158S154-R156 PolarHBondContact O-N 3.01Å; R156-S158 PolarHBondContact O-N 3.43Å
157P41Very low45.9Very low121 Ų121133.5 Ų133.579%0.78681%0.809SS**  trans-68.6124.417326.1-29.1000108.8
158S44.5Very low45.1Very low117 Ų117131.5 Ų131.582%0.81881%0.81SS**  trans-92.3108.3171.4-56.60000107.5R156R156-S158 PolarHBondContact O-N 3.43Å
159T48.8Very low44.9Very low126 Ų126129.9 Ų129.977%0.77381%0.808SS**PPolyproline II helixtrans-65.9131.3169.137.90000109.7T161T159-T161 PolarHBondContact O-N 3.46Å
160P44.1Very low44.1Very low130 Ų130137.1 Ų137.184%0.84483%0.832SS**PPolyproline II helixtrans-73.5118.3176.928.4-30.4000109.8
161T43.9Very low43.9Very low139 Ų139136.7 Ų136.785%0.85383%0.83SS**PPolyproline II helixtrans-69.7128.9170.524.30000110.3T159 G163T159-T161 PolarHBondContact O-N 3.46Å; T161-G163 PolarHBondContact O-N 3.4Å
162L42.9Very low43.9Very low171 Ų171140.5 Ų140.590%0.89584%0.838SS**PPolyproline II helixtrans-68.2122.7174.7-161.873.2000109.1
163G41.2Very low43.3Very low72 Ų72142.1 Ų142.174%0.74284%0.841SS**PPolyproline II helixtrans-63.2140.4-178.800000113T161T161-G163 PolarHBondContact O-N 3.4Å
164T47.7Very low43.1Very low131 Ų131141.7 Ų141.780%0.80484%0.838SS**PPolyproline II helixtrans-69141.517643.40000112.2
165P43.2Very low42.8Very low126 Ų126144.8 Ų144.882%0.81885%0.85SS**PPolyproline II helixtrans-77.6133.3174.431.1-31.2000111.1
166T44Very low43Very low133 Ų133146.9 Ų146.982%0.81685%0.854SS**PPolyproline II helixtrans-77.2138170.530.20000110.8
167P44Very low42.7Very low117 Ų117141.2 Ų141.276%0.7685%0.854SS**PPolyproline II helixtrans-79.9127.4176.930.3-30000110.7
168Q35.6Very low42.8Very low196 Ų196142.8 Ų142.892%0.91686%0.859SS**PPolyproline II helixtrans-74.2126.6167.2-72.4-177.8-21.200108.8
169T38.3Very low42.7Very low136 Ų136144.9 Ų144.983%0.83486%0.862SS**PPolyproline II helixtrans-91.9146.7169.8-42.80000108.1
170M38.8Very low42.1Very low262 Ų262146.6 Ų146.6100%1.29187%0.87SS**  trans-39.10-170.7-67.2-173.7165.100117.1

Retrieved 170 of 170 residues in 58 ms (Link to these results)