A0A087WNM2_MOUSE Loading...

TATA-box binding protein associated factor 9

AlphaFold DB , UniProt , Accession A0A087WNM2, Species MOUSE (Mus musculus, Mouse), Gene Taf9, Length 181 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
1M38.4Very low47.6Very low241 Ų241139.2 Ų139.2100%1.18778%0.781SS**  090.20-77.3165.1169.500106.5S3M1-S3 PolarHBondContact O-N 2.97Å
2E35.7Very low49.7Very low195 Ų195132.9 Ų132.991%0.91174%0.742SS**  trans-86.6100.5179-168.3156.2118.800107.1G4E2-G4 PolarHBondContact O-N 3.28Å
3S43.4Very low52.7Low114 Ų114129.4 Ų129.480%0.79773%0.729SS**  trans-65.8101.1174.3-62.70000108.1M1 K5M1-S3 PolarHBondContact O-N 2.97Å; S3-K5 PolarHBondContact O-N 3.08Å
4G45.3Very low55.3Low67 Ų67131.6 Ų131.669%0.69173%0.727SS**  trans-51.5111.2171.500000109.3E2 M6E2-G4 PolarHBondContact O-N 3.28Å; G4-M6 PolarHBondContact O-N 3.12Å
5K42.5Very low57.6Low206 Ų206127.7 Ų127.790%0.89670%0.704SS**  trans-60.297.8178.7-172.6171.7-178.9-179.10108.4S3 A7S3-K5 PolarHBondContact O-N 3.08Å; K5-A7 PolarHBondContact O-N 2.69Å; K5-A7 VanDerWaalsContact O-N 3.16Å
6M49.9Very low59.7Low169 Ų169119.8 Ų119.883%0.83366%0.661SS**PPolyproline II helixtrans-59.7119.3169.6-78.3-163-87.500108G4 S8G4-M6 PolarHBondContact O-N 3.12Å; M6-S8 PolarHBondContact O-N 3.35Å
7A48.2Very low61.5Low76 Ų76118.1 Ų118.163%0.62865%0.647SS**PPolyproline II helixtrans-55.5136.117400000108.9K5K5-A7 PolarHBondContact O-N 2.69Å; K5-A7 VanDerWaalsContact O-N 3.16Å
8S46.7Very low63.2Low72 Ų72117.7 Ų117.750%0.50364%0.641SS.*PPolyproline II helixtrans-61.5146.2-176.859.60000110.6M6 K10 S11M6-S8 PolarHBondContact O-N 3.35Å; S8-K10 PolarHBondContact O-N 2.94Å; S8-S11 PolarHBondContact O-N 3.15Å
9P54.6Low64.6Low107 Ų107113 Ų11370%0.69562%0.615SS**THydrogen-bonded Turntrans-59.6-11.7-175.620.3-31.9000114.6Q17P9-Q17 PolarHBondContact O-NE2 2.92Å
10K53.1Low65.9Low202 Ų202108.5 Ų108.588%0.87859%0.594SS**THydrogen-bonded Turntrans-88.7-9.2178.1-65.5-177.1-175.6175.80114.7S8S8-K10 PolarHBondContact O-N 2.94Å
11S65.9Low67.1Low82 Ų82107.7 Ų107.757%0.57359%0.586SS**SBendtrans-104.61.4177.792.60000114S8S8-S11 PolarHBondContact O-N 3.15Å
12M73.2Confident69.7Low64 Ų64100.1 Ų100.132%0.31555%0.549SS..SBendtrans-88134.9-177-139.6170.9-173.200110A16 Q17 I36M12-A16 HydrophobicContact CE-CB 4.04Å; M12-A16 HydrophobicContact CG-CB 3.69Å; M12-A16 HydrophobicContact SD-CB 4.14Å; M12-Q17 HydrophobicContact CB-CG 4.3Å; M12-Q17 PolarHBondContact O-NE2 3.48Å; M12-I36 HydrophobicContact CE-CB 4.41Å; M12-I36 HydrophobicContact CE-CD1 3.71Å; M12-I36 HydrophobicContact CE-CG2 4.11Å
13P88.3Confident72.4Confident87 Ų8791.2 Ų91.257%0.56551%0.508SS*.  trans-60.7154.9179.522.9-31.8000111.5D15 A16 Q17P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.21Å; P13-A16 HydrophobicContact CG-CB 3.8Å; P13-A16 WeakPolarHBondContact O-CB 3.36Å; P13-A16 PolarHBondContact O-N 2.77Å; P13-Q17 PolarHBondContact O-N 3.16Å
14K89.1Confident74.7Confident161 Ų16192.8 Ų92.870%0.750%0.5SS*.Hα-helixtrans-55.9-40-173-166.7170.2-179.9-178.90112.9A16 Q17 M18K14-A16 PolarHBondContact O-N 3.47Å; K14-Q17 WeakPolarHBondContact O-CB 3.46Å; K14-Q17 PolarHBondContact O-N 3.39Å; K14-M18 WeakPolarHBondContact O-CG 3.47Å; K14-M18 PolarHBondContact O-N 2.98Å
15D90.1Very high77.1Confident73 Ų7395.3 Ų95.339%0.3950%0.498SS..Hα-helixtrans-68.7-35.1179-57.1-30.8000112.2P13 Q17 M18 M19 L40P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.21Å; D15-Q17 VanDerWaalsContact C-N 3.34Å; D15-M18 PolarHBondContact O-N 3.24Å; D15-M19 WeakPolarHBondContact O-CG 3.36Å; D15-M19 PolarHBondContact O-N 3.46Å; D15-L40 HydrophobicContact CB-CD2 3.65Å
16A90.3Very high79.5Confident1 Ų191.7 Ų91.71%0.00849%0.486CS..Hα-helixtrans-67.8-35.717400000111.9M12 P13 K14 M19 A20 I36 L40M12-A16 HydrophobicContact CE-CB 4.04Å; M12-A16 HydrophobicContact CG-CB 3.69Å; M12-A16 HydrophobicContact SD-CB 4.14Å; P13-A16 HydrophobicContact CG-CB 3.8Å; P13-A16 WeakPolarHBondContact O-CB 3.36Å; P13-A16 PolarHBondContact O-N 2.77Å; K14-A16 PolarHBondContact O-N 3.47Å; A16-M19 PolarHBondContact O-N 2.94Å; A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.03Å; A16-I36 HydrophobicContact CB-CG2 3.79Å; A16-L40 HydrophobicContact CB-CD1 4Å
17Q91.1Very high81.5Confident91 Ų9186.3 Ų86.343%0.42547%0.474SS..Hα-helixtrans-64.1-40.1171.6-65.9178.9-13.200111.5P9 M12 P13 K14 D15 A20 Q21P9-Q17 PolarHBondContact O-NE2 2.92Å; M12-Q17 HydrophobicContact CB-CG 4.3Å; M12-Q17 PolarHBondContact O-NE2 3.48Å; P13-Q17 PolarHBondContact O-N 3.16Å; K14-Q17 WeakPolarHBondContact O-CB 3.46Å; K14-Q17 PolarHBondContact O-N 3.39Å; D15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-A20 PolarHBondContact O-N 3.36Å; Q17-Q21 PolarHBondContact O-N 3.5Å
18M91.5Very high83.6Confident110 Ų11086 Ų8654%0.54246%0.461SS..Hα-helixtrans-64.5-43.2174.7-65.7-150.5-63.700111.9K14 D15 A20 Q21 I22K14-M18 WeakPolarHBondContact O-CG 3.47Å; K14-M18 PolarHBondContact O-N 2.98Å; D15-M18 PolarHBondContact O-N 3.24Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 3.04Å; M18-Q21 WeakPolarHBondContact O-CB 3.5Å; M18-Q21 PolarHBondContact O-N 3.23Å; M18-Q21 VanDerWaalsContact O-N 3.14Å; M18-I22 WeakPolarHBondContact O-CG1 3.25Å; M18-I22 PolarHBondContact O-N 3Å
19M91.1Very high85.5Confident29 Ų2988.6 Ų88.614%0.14347%0.474CS..Hα-helixtrans-62-39.7175.6-70.7-57.1-175.400112.3D15 A16 Q21 I22 L23 I36 M39 L40 A43D15-M19 WeakPolarHBondContact O-CG 3.36Å; D15-M19 PolarHBondContact O-N 3.46Å; A16-M19 PolarHBondContact O-N 2.94Å; M19-Q21 VanDerWaalsContact C-N 3.32Å; M19-Q21 PolarHBondContact O-N 3.49Å; M19-I22 PolarHBondContact O-N 3.15Å; M19-I22 HydrophobicContact SD-CD1 4.05Å; M19-L23 WeakPolarHBondContact O-CG 3.4Å; M19-L23 PolarHBondContact O-N 2.9Å; M19-L23 VanDerWaalsContact O-N 3.14Å; M19-I36 HydrophobicContact CB-CG2 4.07Å; M19-M39 HydrophobicContact CB-CE 3.61Å; M19-M39 HydrophobicContact CE-CG 4.46Å; M19-M39 HydrophobicContact CG-CE 3.96Å; M19-M39 HydrophobicContact SD-CE 3.56Å; M19-M39 VanDerWaalsContact SD-CE 3.56Å; M19-M39 HydrophobicContact SD-CG 4.04Å; M19-M39 HydrophobicContact SD-SD 4.37Å; M19-L40 HydrophobicContact CE-CD2 3.79Å; M19-L40 HydrophobicContact CE-CG 4.47Å; M19-L40 HydrophobicContact CG-CD2 3.62Å; M19-L40 HydrophobicContact CG-CG 3.91Å; M19-A43 HydrophobicContact CE-CB 3.79Å
20A89.3Confident87.2Confident23 Ų2391.8 Ų91.819%0.1948%0.48CS..Hα-helixtrans-64.3-36.7173.700000112.3A16 Q17 M18 L23 K24 I36A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.03Å; Q17-A20 PolarHBondContact O-N 3.36Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 3.04Å; A20-L23 PolarHBondContact O-N 2.98Å; A20-K24 PolarHBondContact O-N 2.97Å; A20-I36 HydrophobicContact CB-CD1 4.1Å
21Q91Very high89Confident92 Ų9286.6 Ų86.643%0.4346%0.455SS..Hα-helixtrans-66.8-40.8175.4-172.160.641.100111.7Q17 M18 M19 L23 K24 D25Q17-Q21 PolarHBondContact O-N 3.5Å; M18-Q21 WeakPolarHBondContact O-CB 3.5Å; M18-Q21 PolarHBondContact O-N 3.23Å; M18-Q21 VanDerWaalsContact O-N 3.14Å; M19-Q21 VanDerWaalsContact C-N 3.32Å; M19-Q21 PolarHBondContact O-N 3.49Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.39Å; Q21-K24 WeakPolarHBondContact O-CB 3.48Å; Q21-K24 PolarHBondContact O-N 3.33Å; Q21-K24 VanDerWaalsContact O-N 3.12Å; Q21-D25 PolarHBondContact NE2-OD1 3.49Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 2.77Å
22I93.3Very high90.3Very high81 Ų8188.6 Ų88.642%0.41546%0.456SS..Hα-helixtrans-59.2-44.6174.8-67.3165.8000110.9M18 M19 K24 D25 M26M18-I22 WeakPolarHBondContact O-CG1 3.25Å; M18-I22 PolarHBondContact O-N 3Å; M19-I22 PolarHBondContact O-N 3.15Å; M19-I22 HydrophobicContact SD-CD1 4.05Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.4Å; I22-D25 PolarHBondContact O-N 3.12Å; I22-M26 WeakPolarHBondContact O-CG 3.49Å; I22-M26 PolarHBondContact O-N 3.21Å
23L91.8Very high90.9Very high9 Ų989.1 Ų89.15%0.04746%0.464CS..Hα-helixtrans-62.2-38.2176.8-68.7172.3000111.7M19 A20 Q21 M26 G27 I28 Y31 I36 M39M19-L23 WeakPolarHBondContact O-CG 3.4Å; M19-L23 PolarHBondContact O-N 2.9Å; M19-L23 VanDerWaalsContact O-N 3.14Å; A20-L23 PolarHBondContact O-N 2.98Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.39Å; L23-M26 HydrophobicContact CD2-CE 4.43Å; L23-M26 PolarHBondContact O-N 3Å; L23-G27 PolarHBondContact O-N 3.32Å; L23-I28 HydrophobicContact CD2-CD1 4.08Å; L23-I28 PolarHBondContact O-N 2.92Å; L23-Y31 HydrophobicContact CB-CD1 4.35Å; L23-Y31 HydrophobicContact CB-CE1 4.12Å; L23-Y31 HydrophobicContact CD1-CD1 3.78Å; L23-Y31 HydrophobicContact CD1-CD2 4.13Å; L23-Y31 HydrophobicContact CD1-CE1 3.83Å; L23-Y31 HydrophobicContact CD1-CE2 4.21Å; L23-Y31 HydrophobicContact CD1-CG 3.93Å; L23-I36 HydrophobicContact CD1-CG1 4.23Å; L23-M39 HydrophobicContact CD1-CE 4.27Å; L23-M39 HydrophobicContact CD2-CE 4.36Å; L23-M39 HydrophobicContact CG-CE 4.13Å
24K92.7Very high91Very high146 Ų14692.3 Ų92.364%0.63546%0.464SS*.Hα-helixtrans-65.9-41.1175.8-169.9177.9-179.9-177.90112.3A20 Q21 I22 M26 G27A20-K24 PolarHBondContact O-N 2.97Å; Q21-K24 WeakPolarHBondContact O-CB 3.48Å; Q21-K24 PolarHBondContact O-N 3.33Å; Q21-K24 VanDerWaalsContact O-N 3.12Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.4Å; K24-M26 VanDerWaalsContact C-N 3.28Å; K24-M26 PolarHBondContact O-N 3.44Å; K24-G27 PolarHBondContact O-N 3.01Å
25D95.5Very high91.2Very high121 Ų12187.2 Ų87.265%0.64745%0.447SS*.Hα-helixtrans-67.7-29.7177.6-64.8-12.8000111.7Q21 I22 G27Q21-D25 PolarHBondContact NE2-OD1 3.49Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 2.77Å; I22-D25 PolarHBondContact O-N 3.12Å; D25-G27 PolarHBondContact O-N 2.96Å
26M92.5Very high91.3Very high129 Ų12983.8 Ų83.864%0.63543%0.428SS*.THydrogen-bonded Turntrans-78.90.8170.5-65-151.8-60.300114I22 L23 K24 I28I22-M26 WeakPolarHBondContact O-CG 3.49Å; I22-M26 PolarHBondContact O-N 3.21Å; L23-M26 HydrophobicContact CD2-CE 4.43Å; L23-M26 PolarHBondContact O-N 3Å; K24-M26 VanDerWaalsContact C-N 3.28Å; K24-M26 PolarHBondContact O-N 3.44Å; M26-I28 VanDerWaalsContact C-N 3.32Å; M26-I28 HydrophobicContact CB-CD1 4.33Å; M26-I28 HydrophobicContact CB-CG1 4.36Å; M26-I28 HydrophobicContact CE-CD1 4.02Å; M26-I28 PolarHBondContact O-N 2.96Å
27G92.3Very high91.4Very high57 Ų5787.9 Ų87.959%0.58845%0.45SS*.THydrogen-bonded Turntrans76.114.3179.600000114.8L23 K24 D25 T29L23-G27 PolarHBondContact O-N 3.32Å; K24-G27 PolarHBondContact O-N 3.01Å; D25-G27 PolarHBondContact O-N 2.96Å; G27-T29 PolarHBondContact O-N 3.38Å
28I92.4Very high91.5Very high69 Ų6988.2 Ų88.235%0.35445%0.452SS..  trans-89.5106.8179.5-56.2171.5000108.8L23 M26 Y31L23-I28 HydrophobicContact CD2-CD1 4.08Å; L23-I28 PolarHBondContact O-N 2.92Å; M26-I28 VanDerWaalsContact C-N 3.32Å; M26-I28 HydrophobicContact CB-CD1 4.33Å; M26-I28 HydrophobicContact CB-CG1 4.36Å; M26-I28 HydrophobicContact CE-CD1 4.02Å; M26-I28 PolarHBondContact O-N 2.96Å; I28-Y31 HydrophobicContact CG2-CD1 4.34Å
29T86.7Confident91.5Very high127 Ų12785.5 Ų85.578%0.77944%0.438SS*.  trans-94.8-22.7-177.354.50000113.9G27G27-T29 PolarHBondContact O-N 3.38Å
30E90.6Very high91.7Very high174 Ų17485.1 Ų85.181%0.81344%0.437SS*.  trans-120118.8-178.2-64.9-172.1166.900110.1
31Y90.8Very high91.9Very high93 Ų9390 Ų9037%0.36546%0.455SS..  trans-151.7154.2175.653-96.9000110.2L23 I28 I36L23-Y31 HydrophobicContact CB-CD1 4.35Å; L23-Y31 HydrophobicContact CB-CE1 4.12Å; L23-Y31 HydrophobicContact CD1-CD1 3.78Å; L23-Y31 HydrophobicContact CD1-CD2 4.13Å; L23-Y31 HydrophobicContact CD1-CE1 3.83Å; L23-Y31 HydrophobicContact CD1-CE2 4.21Å; L23-Y31 HydrophobicContact CD1-CG 3.93Å; I28-Y31 HydrophobicContact CG2-CD1 4.34Å; Y31-I36 HydrophobicContact CD2-CD1 4.29Å; Y31-I36 HydrophobicContact CD2-CG1 4.4Å; Y31-I36 HydrophobicContact CE2-CD1 3.44Å; Y31-I36 VanDerWaalsContact CE2-CD1 3.44Å; Y31-I36 HydrophobicContact CE2-CG1 3.98Å
32E92.3Very high92.1Very high124 Ų12492 Ų9258%0.57946%0.463SS*.  trans-73.8137.8172.8-170.2-174.5154.500109.7R34 V35E32-R34 HydrophobicContact CG-CB 4.11Å; E32-R34 PolarHBondContact O-N 3.05Å; E32-R34 WeakPolarHBondContact OE1-CB 3.31Å; E32-V35 HydrophobicContact CB-CG2 4.26Å; E32-V35 WeakPolarHBondContact O-CB 3.48Å; E32-V35 WeakPolarHBondContact O-CG2 3.39Å; E32-V35 PolarHBondContact O-N 3.32Å
33P86.1Confident92.1Very high75 Ų7589.6 Ų89.649%0.48746%0.455SS..Hα-helixtrans-53.5-27.2177.6-27.534.3000114V35 I36P33-V35 VanDerWaalsContact C-N 3.25Å; P33-V35 PolarHBondContact O-N 3.44Å; P33-I36 PolarHBondContact O-N 3.11Å
34R91.2Very high92.2Very high153 Ų15394.7 Ų94.758%0.57748%0.477SS*.Hα-helixtrans-64.3-27.8177.8-160.8169.9-153.3-113.7-1.8113.3E32 I36 N37 Q38E32-R34 HydrophobicContact CG-CB 4.11Å; E32-R34 PolarHBondContact O-N 3.05Å; E32-R34 WeakPolarHBondContact OE1-CB 3.31Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.48Å; R34-N37 PolarHBondContact O-N 2.9Å; R34-Q38 HydrophobicContact CG-CG 4.5Å; R34-Q38 WeakPolarHBondContact O-CG 3.46Å; R34-Q38 PolarHBondContact O-N 3.02Å
35V92.6Very high92.4Very high54 Ų5496.9 Ų96.933%0.32748%0.481SS..Hα-helixtrans-62.2-41.21791770000110.7E32 P33 N37 Q38 M39E32-V35 HydrophobicContact CB-CG2 4.26Å; E32-V35 WeakPolarHBondContact O-CB 3.48Å; E32-V35 WeakPolarHBondContact O-CG2 3.39Å; E32-V35 PolarHBondContact O-N 3.32Å; P33-V35 VanDerWaalsContact C-N 3.25Å; P33-V35 PolarHBondContact O-N 3.44Å; V35-N37 VanDerWaalsContact C-N 3.33Å; V35-N37 PolarHBondContact O-N 3.45Å; V35-Q38 PolarHBondContact O-N 3.37Å; V35-M39 VanDerWaalsContact O-CB 3.29Å; V35-M39 WeakPolarHBondContact O-CB 3.3Å; V35-M39 PolarHBondContact O-N 3.45Å
36I91.9Very high92.3Very high2 Ų294.3 Ų94.31%0.0146%0.463CS..Hα-helixtrans-60.7-45.2178.1-68.4173000110.5M12 A16 M19 A20 L23 Y31 P33 R34 M39 L40M12-I36 HydrophobicContact CE-CB 4.41Å; M12-I36 HydrophobicContact CE-CD1 3.71Å; M12-I36 HydrophobicContact CE-CG2 4.11Å; A16-I36 HydrophobicContact CB-CG2 3.79Å; M19-I36 HydrophobicContact CB-CG2 4.07Å; A20-I36 HydrophobicContact CB-CD1 4.1Å; L23-I36 HydrophobicContact CD1-CG1 4.23Å; Y31-I36 HydrophobicContact CD2-CD1 4.29Å; Y31-I36 HydrophobicContact CD2-CG1 4.4Å; Y31-I36 HydrophobicContact CE2-CD1 3.44Å; Y31-I36 VanDerWaalsContact CE2-CD1 3.44Å; Y31-I36 HydrophobicContact CE2-CG1 3.98Å; P33-I36 PolarHBondContact O-N 3.11Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.48Å; I36-M39 PolarHBondContact O-N 3.2Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.04Å
37N92.1Very high92.5Very high86 Ų8691.8 Ų91.846%0.4646%0.455SS..Hα-helixtrans-65-43.2179.4-65.8-23.1000111.7R34 V35 M39 L40 E41R34-N37 PolarHBondContact O-N 2.9Å; V35-N37 VanDerWaalsContact C-N 3.33Å; V35-N37 PolarHBondContact O-N 3.45Å; N37-M39 VanDerWaalsContact C-N 3.34Å; N37-M39 PolarHBondContact O-N 3.28Å; N37-L40 PolarHBondContact O-N 3.17Å; N37-E41 WeakPolarHBondContact O-CG 3.43Å; N37-E41 PolarHBondContact O-N 2.91Å
38Q93.8Very high92.6Very high99 Ų9992.6 Ų92.646%0.46345%0.449SS..Hα-helixtrans-63.9-39.6176.8-72.2177.3-15.200112.3R34 V35 E41 F42R34-Q38 HydrophobicContact CG-CG 4.5Å; R34-Q38 WeakPolarHBondContact O-CG 3.46Å; R34-Q38 PolarHBondContact O-N 3.02Å; V35-Q38 PolarHBondContact O-N 3.37Å; Q38-E41 PolarHBondContact O-N 3.43Å; Q38-F42 WeakPolarHBondContact O-CB 3.32Å; Q38-F42 PolarHBondContact O-N 2.9Å
39M92.6Very high92.7Very high52 Ų5292 Ų9226%0.25645%0.449SS..Hα-helixtrans-67.9-37.9177.8-166.4161.867.600111.5M19 L23 V35 I36 N37 F42 A43M19-M39 HydrophobicContact CB-CE 3.61Å; M19-M39 HydrophobicContact CE-CG 4.46Å; M19-M39 HydrophobicContact CG-CE 3.96Å; M19-M39 HydrophobicContact SD-CE 3.56Å; M19-M39 VanDerWaalsContact SD-CE 3.56Å; M19-M39 HydrophobicContact SD-CG 4.04Å; M19-M39 HydrophobicContact SD-SD 4.37Å; L23-M39 HydrophobicContact CD1-CE 4.27Å; L23-M39 HydrophobicContact CD2-CE 4.36Å; L23-M39 HydrophobicContact CG-CE 4.13Å; V35-M39 VanDerWaalsContact O-CB 3.29Å; V35-M39 WeakPolarHBondContact O-CB 3.3Å; V35-M39 PolarHBondContact O-N 3.45Å; I36-M39 PolarHBondContact O-N 3.2Å; N37-M39 VanDerWaalsContact C-N 3.34Å; N37-M39 PolarHBondContact O-N 3.28Å; M39-F42 PolarHBondContact O-N 3.34Å; M39-A43 WeakPolarHBondContact O-CB 3.3Å; M39-A43 PolarHBondContact O-N 3.2Å
40L93.5Very high93.2Very high22 Ų2286.4 Ų86.412%0.11541%0.414CS..Hα-helixtrans-62.9-49.8171-75.1170.3000111.7D15 A16 M19 I36 N37 F42 A43 F44D15-L40 HydrophobicContact CB-CD2 3.65Å; A16-L40 HydrophobicContact CB-CD1 4Å; M19-L40 HydrophobicContact CE-CD2 3.79Å; M19-L40 HydrophobicContact CE-CG 4.47Å; M19-L40 HydrophobicContact CG-CD2 3.62Å; M19-L40 HydrophobicContact CG-CG 3.91Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.04Å; N37-L40 PolarHBondContact O-N 3.17Å; L40-F42 VanDerWaalsContact C-N 3.27Å; L40-F42 PolarHBondContact O-N 2.84Å; L40-A43 PolarHBondContact O-N 2.94Å; L40-A43 VanDerWaalsContact O-N 3.17Å; L40-F44 HydrophobicContact CB-CD2 4.43Å; L40-F44 HydrophobicContact CB-CE2 4.4Å; L40-F44 HydrophobicContact CD2-CE2 4.17Å; L40-F44 WeakPolarHBondContact O-CD2 3.37Å; L40-F44 PolarHBondContact O-N 2.97Å
41E94.8Very high93.4Very high124 Ų12482 Ų8258%0.57940%0.395SS*.Hα-helixtrans-56.7-44176.9-76.2178.4-169.600111.5N37 Q38 R45N37-E41 WeakPolarHBondContact O-CG 3.43Å; N37-E41 PolarHBondContact O-N 2.91Å; Q38-E41 PolarHBondContact O-N 3.43Å; E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 WeakPolarHBondContact O-CG 3.41Å; E41-R45 PolarHBondContact O-N 3.24Å
42F94Very high93.6Very high135 Ų13581 Ų8159%0.59240%0.396SS*.Hα-helixtrans-60.9-48.9175.5176-99000111.7Q38 M39 L40 F44 R45 Y46Q38-F42 WeakPolarHBondContact O-CB 3.32Å; Q38-F42 PolarHBondContact O-N 2.9Å; M39-F42 PolarHBondContact O-N 3.34Å; L40-F42 VanDerWaalsContact C-N 3.27Å; L40-F42 PolarHBondContact O-N 2.84Å; F42-F44 PolarHBondContact O-N 3.33Å; F42-R45 PolarHBondContact O-N 3.36Å; F42-Y46 VanDerWaalsContact O-CB 3.26Å; F42-Y46 WeakPolarHBondContact O-CB 3.3Å; F42-Y46 PolarHBondContact O-N 3.4Å
43A93.9Very high93.7Very high30 Ų3077.2 Ų77.225%0.24838%0.38CS..Hα-helixtrans-60.3-47.5-179.700000111.6M19 M39 L40 Y46 V47M19-A43 HydrophobicContact CE-CB 3.79Å; M39-A43 WeakPolarHBondContact O-CB 3.3Å; M39-A43 PolarHBondContact O-N 3.2Å; L40-A43 PolarHBondContact O-N 2.94Å; L40-A43 VanDerWaalsContact O-N 3.17Å; A43-Y46 PolarHBondContact O-N 3.4Å; A43-V47 WeakPolarHBondContact O-CB 3.44Å; A43-V47 VanDerWaalsContact O-CG2 3.29Å; A43-V47 WeakPolarHBondContact O-CG2 3.28Å; A43-V47 PolarHBondContact O-N 2.96Å
44F95.1Very high94.2Very high117 Ų11773.6 Ų73.651%0.51336%0.356SS..Hα-helixtrans-64.6-43.4178.7-76.8-62.9000112.4L40 F42 T48L40-F44 HydrophobicContact CB-CD2 4.43Å; L40-F44 HydrophobicContact CB-CE2 4.4Å; L40-F44 HydrophobicContact CD2-CE2 4.17Å; L40-F44 WeakPolarHBondContact O-CD2 3.37Å; L40-F44 PolarHBondContact O-N 2.97Å; F42-F44 PolarHBondContact O-N 3.33Å; F44-T48 VanDerWaalsContact O-CB 3.31Å; F44-T48 WeakPolarHBondContact O-CB 3.46Å; F44-T48 PolarHBondContact O-N 2.94Å; F44-T48 PolarHBondContact O-OG1 3.34Å
45R95.4Very high94.4Very high191 Ų19172 Ų7272%0.72135%0.353SS*.Hα-helixtrans-61.3-46.4174.5-72.6-179.473170.12.9111.3E41 F42 T48 T49E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 WeakPolarHBondContact O-CG 3.41Å; E41-R45 PolarHBondContact O-N 3.24Å; F42-R45 PolarHBondContact O-N 3.36Å; R45-T48 PolarHBondContact O-N 3.35Å; R45-T49 VanDerWaalsContact O-CG2 3.3Å; R45-T49 WeakPolarHBondContact O-CG2 3.37Å; R45-T49 PolarHBondContact O-N 3.4Å; R45-T49 PolarHBondContact O-OG1 2.93Å
46Y94.2Very high94.5Very high67 Ų6773.4 Ų73.426%0.26336%0.359SS..Hα-helixtrans-59-53.1179-178.1-104.1000111.4F42 A43 T48 T49 I50F42-Y46 VanDerWaalsContact O-CB 3.26Å; F42-Y46 WeakPolarHBondContact O-CB 3.3Å; F42-Y46 PolarHBondContact O-N 3.4Å; A43-Y46 PolarHBondContact O-N 3.4Å; Y46-T48 VanDerWaalsContact C-N 3.31Å; Y46-T48 PolarHBondContact O-N 3.34Å; Y46-T49 PolarHBondContact O-N 2.7Å; Y46-T49 PolarHBondContact O-OG1 3.38Å; Y46-I50 HydrophobicContact CD1-CG1 4.28Å; Y46-I50 HydrophobicContact CE1-CD1 4.43Å; Y46-I50 HydrophobicContact CE1-CG1 3.96Å; Y46-I50 HydrophobicContact CE2-CD1 4.3Å; Y46-I50 HydrophobicContact CE2-CG1 4.24Å; Y46-I50 VanDerWaalsContact O-CG1 3.28Å; Y46-I50 WeakPolarHBondContact O-CG1 3.31Å; Y46-I50 PolarHBondContact O-N 3.47Å
47V95.4Very high94.7Very high77 Ų7776.1 Ų76.147%0.46737%0.369SS..Hα-helixtrans-59.5-41.8178.8172.20000111.4A43 I50 L51A43-V47 WeakPolarHBondContact O-CB 3.44Å; A43-V47 VanDerWaalsContact O-CG2 3.29Å; A43-V47 WeakPolarHBondContact O-CG2 3.28Å; A43-V47 PolarHBondContact O-N 2.96Å; V47-I50 PolarHBondContact O-N 3.24Å; V47-L51 HydrophobicContact CG1-CD1 3.89Å; V47-L51 HydrophobicContact CG1-CG 4.32Å; V47-L51 WeakPolarHBondContact O-CB 3.39Å; V47-L51 VanDerWaalsContact O-CG 3.3Å; V47-L51 WeakPolarHBondContact O-CG 3.41Å; V47-L51 PolarHBondContact O-N 3.5Å
48T96Very high94.8Very high74 Ų7472.2 Ų72.245%0.45435%0.349SS..Hα-helixtrans-63.5-46.6179.2-54.20000110.8F44 R45 Y46 I50 L51 D52F44-T48 VanDerWaalsContact O-CB 3.31Å; F44-T48 WeakPolarHBondContact O-CB 3.46Å; F44-T48 PolarHBondContact O-N 2.94Å; F44-T48 PolarHBondContact O-OG1 3.34Å; R45-T48 PolarHBondContact O-N 3.35Å; Y46-T48 VanDerWaalsContact C-N 3.31Å; Y46-T48 PolarHBondContact O-N 3.34Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 3.16Å; T48-L51 PolarHBondContact O-N 3.08Å; T48-D52 VanDerWaalsContact O-CG 3.31Å; T48-D52 PolarHBondContact O-N 3.17Å
49T94.6Very high94.9Very high57 Ų5771.5 Ų71.535%0.3536%0.355SS..Hα-helixtrans-61.8-39.2176.959.10000112.9R45 Y46 D52 D53R45-T49 VanDerWaalsContact O-CG2 3.3Å; R45-T49 WeakPolarHBondContact O-CG2 3.37Å; R45-T49 PolarHBondContact O-N 3.4Å; R45-T49 PolarHBondContact O-OG1 2.93Å; Y46-T49 PolarHBondContact O-N 2.7Å; Y46-T49 PolarHBondContact O-OG1 3.38Å; T49-D52 PolarHBondContact O-N 2.87Å; T49-D53 PolarHBondContact O-N 3.18Å
50I95.5Very high95Very high9 Ų976 Ų765%0.04638%0.375CS..Hα-helixtrans-64-42.2175.6-67.9-74.6000111.3Y46 V47 T48 D53 A54 V71 A74 I75 R78Y46-I50 HydrophobicContact CD1-CG1 4.28Å; Y46-I50 HydrophobicContact CE1-CD1 4.43Å; Y46-I50 HydrophobicContact CE1-CG1 3.96Å; Y46-I50 HydrophobicContact CE2-CD1 4.3Å; Y46-I50 HydrophobicContact CE2-CG1 4.24Å; Y46-I50 VanDerWaalsContact O-CG1 3.28Å; Y46-I50 WeakPolarHBondContact O-CG1 3.31Å; Y46-I50 PolarHBondContact O-N 3.47Å; V47-I50 PolarHBondContact O-N 3.24Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 3.16Å; I50-D53 PolarHBondContact O-N 3.48Å; I50-A54 WeakPolarHBondContact O-CB 3.35Å; I50-A54 PolarHBondContact O-N 2.94Å; I50-V71 HydrophobicContact CG2-CG1 4.24Å; I50-A74 HydrophobicContact CG2-CB 4.15Å; I50-I75 HydrophobicContact CD1-CG1 4.04Å; I50-I75 HydrophobicContact CG2-CG1 4.07Å; I50-R78 HydrophobicContact CD1-CB 3.95Å; I50-R78 HydrophobicContact CD1-CG 3.7Å
51L95.3Very high95Very high80 Ų8077.5 Ų77.542%0.41939%0.39SS..Hα-helixtrans-70.1-32.9178.4-69.8175.1000112.4V47 T48 A54 K55V47-L51 HydrophobicContact CG1-CD1 3.89Å; V47-L51 HydrophobicContact CG1-CG 4.32Å; V47-L51 WeakPolarHBondContact O-CB 3.39Å; V47-L51 VanDerWaalsContact O-CG 3.3Å; V47-L51 WeakPolarHBondContact O-CG 3.41Å; V47-L51 PolarHBondContact O-N 3.5Å; T48-L51 PolarHBondContact O-N 3.08Å; L51-A54 PolarHBondContact O-N 3.36Å; L51-K55 WeakPolarHBondContact O-CG 3.48Å; L51-K55 PolarHBondContact O-N 2.87Å
52D95.4Very high95Very high73 Ų7381 Ų8139%0.3940%0.403SS..Hα-helixtrans-66.4-43.9173.6-70.9-25000110.9T48 T49 K55 I56T48-D52 VanDerWaalsContact O-CG 3.31Å; T48-D52 PolarHBondContact O-N 3.17Å; T49-D52 PolarHBondContact O-N 2.87Å; D52-K55 PolarHBondContact O-N 3.45Å; D52-K55 IonicContact OD1-NZ 3.04Å; D52-I56 WeakPolarHBondContact O-CG1 3.38Å; D52-I56 PolarHBondContact O-N 2.9Å; D52-I56 VanDerWaalsContact O-N 3.12Å
53D95.1Very high94.9Very high44 Ų4479 Ų7924%0.23539%0.394CS..Hα-helixtrans-62.8-42.9173.5-70.2-18.7000111.5T49 I50 K55 I56 Y57 A74T49-D53 PolarHBondContact O-N 3.18Å; I50-D53 PolarHBondContact O-N 3.48Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 2.9Å; D53-I56 WeakPolarHBondContact O-CB 3.43Å; D53-I56 PolarHBondContact O-N 3.12Å; D53-I56 VanDerWaalsContact O-N 3.11Å; D53-Y57 HydrophobicContact CB-CE2 4.26Å; D53-Y57 VanDerWaalsContact O-CD2 3.31Å; D53-Y57 WeakPolarHBondContact O-CD2 3.29Å; D53-Y57 PolarHBondContact O-N 3.48Å; D53-A74 HydrophobicContact CB-CB 3.92Å
54A95.9Very high94.7Very high0 Ų082.8 Ų82.80%043%0.426CS..Hα-helixtrans-63.2-37.2177.300000112.6I50 L51 I56 Y57 S58 V66 D70 V71 A74I50-A54 WeakPolarHBondContact O-CB 3.35Å; I50-A54 PolarHBondContact O-N 2.94Å; L51-A54 PolarHBondContact O-N 3.36Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-Y57 PolarHBondContact O-N 3.34Å; A54-S58 WeakPolarHBondContact O-CB 3.3Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-V66 HydrophobicContact CB-CG1 3.84Å; A54-D70 HydrophobicContact CB-CB 4.22Å; A54-V71 HydrophobicContact CB-CG2 4.07Å; A54-A74 HydrophobicContact CB-CB 4.43Å
55K95.6Very high94.6Very high118 Ų11881.7 Ų81.751%0.51343%0.429SS..Hα-helixtrans-63.9-38.6172.7-77.3172-174.6166.50111.9L51 D52 D53 S59 V66L51-K55 WeakPolarHBondContact O-CG 3.48Å; L51-K55 PolarHBondContact O-N 2.87Å; D52-K55 PolarHBondContact O-N 3.45Å; D52-K55 IonicContact OD1-NZ 3.04Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 2.9Å; K55-S59 WeakPolarHBondContact O-CB 3.34Å; K55-S59 PolarHBondContact O-N 2.81Å; K55-S59 PolarHBondContact O-OG 3.27Å; K55-V66 HydrophobicContact CG-CG2 4.11Å
56I95.4Very high94.6Very high85 Ų8575.7 Ų75.744%0.43641%0.413SS..Hα-helixtrans-61.9-47.2175.2-67.9165.2000109.2D52 D53 A54 S59 H60D52-I56 WeakPolarHBondContact O-CG1 3.38Å; D52-I56 PolarHBondContact O-N 2.9Å; D52-I56 VanDerWaalsContact O-N 3.12Å; D53-I56 WeakPolarHBondContact O-CB 3.43Å; D53-I56 PolarHBondContact O-N 3.12Å; D53-I56 VanDerWaalsContact O-N 3.11Å; A54-I56 VanDerWaalsContact C-N 3.33Å; I56-S59 WeakPolarHBondContact O-CB 3.26Å; I56-S59 PolarHBondContact O-N 3.44Å; I56-H60 VanDerWaalsContact CG2-CD2 3.48Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.13Å; I56-H60 WeakPolarHBondContact CG2-NE2 3.3Å; I56-H60 PolarHBondContact O-CD2 3.33Å; I56-H60 PolarHBondContact O-N 3.47Å
57Y94.8Very high94.6Very high58 Ų5875.2 Ų75.223%0.22742%0.415CS..Hα-helixtrans-63.9-43.4178.3-58.8-35.1000113.9D53 A54 S59 H60 A61 L73 A74D53-Y57 HydrophobicContact CB-CE2 4.26Å; D53-Y57 VanDerWaalsContact O-CD2 3.31Å; D53-Y57 WeakPolarHBondContact O-CD2 3.29Å; D53-Y57 PolarHBondContact O-N 3.48Å; A54-Y57 PolarHBondContact O-N 3.34Å; Y57-S59 VanDerWaalsContact C-N 3.29Å; Y57-S59 PolarHBondContact O-N 2.77Å; Y57-H60 WeakPolarHBondContact O-CB 3.26Å; Y57-H60 PolarHBondContact O-N 3.25Å; Y57-H60 VanDerWaalsContact O-N 3.15Å; Y57-A61 PolarHBondContact O-N 2.66Å; Y57-L73 HydrophobicContact CD1-CD2 4.36Å; Y57-L73 HydrophobicContact CD2-CB 4.29Å; Y57-L73 HydrophobicContact CD2-CD2 3.98Å; Y57-L73 HydrophobicContact CD2-CG 4.11Å; Y57-L73 HydrophobicContact CE2-CB 4.37Å; Y57-L73 HydrophobicContact CE2-CD2 4.2Å; Y57-L73 HydrophobicContact CE2-CG 3.96Å; Y57-L73 HydrophobicContact CG-CD2 4.07Å; Y57-A74 HydrophobicContact CD2-CB 4.21Å; Y57-A74 HydrophobicContact CE2-CB 3.78Å
58S94.9Very high94.6Very high5 Ų574.7 Ų74.74%0.03542%0.419CS..Hα-helixtrans-59.4-41.6173.9177.50000111.5A54 H60 A61 K62 K63 T65 D70A54-S58 WeakPolarHBondContact O-CB 3.3Å; A54-S58 PolarHBondContact O-N 2.95Å; S58-H60 PolarHBondContact O-N 3.26Å; S58-A61 CarbonylContact O-C 3.48Å; S58-A61 PolarHBondContact O-N 3.47Å; S58-A61 VanDerWaalsContact O-N 3.16Å; S58-K62 PolarHBondContact O-N 3.36Å; S58-K62 VanDerWaalsContact O-N 3.12Å; S58-K63 PolarHBondContact O-N 3.48Å; S58-K63 PolarHBondContact OG-O 3.34Å; S58-T65 PolarHBondContact OG-O 3.17Å; S58-D70 WeakPolarHBondContact CB-OD2 3.32Å
59S95Very high94.5Very high84 Ų8476 Ų7659%0.58742%0.423SS*.Hα-helixtrans-63.3-40.3175.1-58.90000112.2K55 I56 Y57 A61 K62K55-S59 WeakPolarHBondContact O-CB 3.34Å; K55-S59 PolarHBondContact O-N 2.81Å; K55-S59 PolarHBondContact O-OG 3.27Å; I56-S59 WeakPolarHBondContact O-CB 3.26Å; I56-S59 PolarHBondContact O-N 3.44Å; Y57-S59 VanDerWaalsContact C-N 3.29Å; Y57-S59 PolarHBondContact O-N 2.77Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 2.82Å; S59-K62 PolarHBondContact O-N 3.47Å; S59-K62 VanDerWaalsContact O-N 3.08Å
60H94.8Very high94.5Very high147 Ų14773.9 Ų73.968%0.68141%0.41SS*.Hα-helixtrans-64.2-35.6173.8-77.7-69000112.6I56 Y57 S58 K62I56-H60 VanDerWaalsContact CG2-CD2 3.48Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.13Å; I56-H60 WeakPolarHBondContact CG2-NE2 3.3Å; I56-H60 PolarHBondContact O-CD2 3.33Å; I56-H60 PolarHBondContact O-N 3.47Å; Y57-H60 WeakPolarHBondContact O-CB 3.26Å; Y57-H60 PolarHBondContact O-N 3.25Å; Y57-H60 VanDerWaalsContact O-N 3.15Å; S58-H60 PolarHBondContact O-N 3.26Å; H60-K62 PolarHBondContact O-N 2.87Å
61A93.5Very high94.5Very high52 Ų5275.4 Ų75.443%0.4342%0.419SS..THydrogen-bonded Turntrans-77.5-0174.100000113.5Y57 S58 S59 K63Y57-A61 PolarHBondContact O-N 2.66Å; S58-A61 CarbonylContact O-C 3.48Å; S58-A61 PolarHBondContact O-N 3.47Å; S58-A61 VanDerWaalsContact O-N 3.16Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 2.82Å; A61-K63 HydrophobicContact CB-CD 4.09Å; A61-K63 HydrophobicContact CB-CG 4.05Å; A61-K63 PolarHBondContact O-N 3.14Å
62K94.5Very high94.5Very high198 Ų19879.5 Ų79.586%0.86143%0.429SS*.THydrogen-bonded Turntrans5630.9-174.9-56.1177.8-178.6176.50113.1S58 S59 H60S58-K62 PolarHBondContact O-N 3.36Å; S58-K62 VanDerWaalsContact O-N 3.12Å; S59-K62 PolarHBondContact O-N 3.47Å; S59-K62 VanDerWaalsContact O-N 3.08Å; H60-K62 PolarHBondContact O-N 2.87Å
63K93.3Very high94.5Very high94 Ų9479.7 Ų79.741%0.40943%0.43SS..  trans-95.5145.8174.7-63.3177.5-178.1179.10109.3S58 A61 D67S58-K63 PolarHBondContact O-N 3.48Å; S58-K63 PolarHBondContact OG-O 3.34Å; A61-K63 HydrophobicContact CB-CD 4.09Å; A61-K63 HydrophobicContact CB-CG 4.05Å; A61-K63 PolarHBondContact O-N 3.14Å; K63-D67 WeakPolarHBondContact CD-OD2 3.4Å; K63-D67 IonicContact NZ-OD2 2.7Å; K63-D67 PolarHBondContact NZ-OD2 2.95Å
64A89.4Confident94.5Very high109 Ų10977.6 Ų77.690%0.90142%0.419SS*.SBendtrans-89.2-16.4175.500000112.5
65T93.6Very high94.4Very high94 Ų9481.3 Ų81.358%0.57744%0.437SS*.SBendtrans-112.6143.9-179.754.80000110S58S58-T65 PolarHBondContact OG-O 3.17Å
66V94.2Very high94.3Very high65 Ų6581.4 Ų81.439%0.39444%0.44SS..  trans-84.1121.9174179.50000108.5A54 K55 D70 V71A54-V66 HydrophobicContact CB-CG1 3.84Å; K55-V66 HydrophobicContact CG-CG2 4.11Å; V66-D70 HydrophobicContact CG1-CB 4.12Å; V66-V71 HydrophobicContact CG1-CG2 4.03Å
67D94.8Very high94.1Very high56 Ų5679.9 Ų79.930%0.29944%0.436SS..  trans-92.1163.1179.3-67.5-27.9000111.4K63 D69 D70 V71K63-D67 WeakPolarHBondContact CD-OD2 3.4Å; K63-D67 IonicContact NZ-OD2 2.7Å; K63-D67 PolarHBondContact NZ-OD2 2.95Å; D67-D69 PolarHBondContact O-N 3.39Å; D67-D70 PolarHBondContact N-OD2 3.44Å; D67-D70 WeakPolarHBondContact O-CB 3.48Å; D67-D70 PolarHBondContact O-N 3.27Å; D67-D70 VanDerWaalsContact O-N 3.15Å; D67-V71 PolarHBondContact O-N 3.41Å
68A94.8Very high93.9Very high67 Ų6780.6 Ų80.655%0.55444%0.438SS*.Hα-helixtrans-60-29.8175.100000112.5V71 R72A68-V71 PolarHBondContact O-N 3.26Å; A68-R72 VanDerWaalsContact O-CG 3.25Å; A68-R72 WeakPolarHBondContact O-CG 3.47Å; A68-R72 PolarHBondContact O-N 3.03Å
69D94.8Very high93.6Very high100 Ų10082 Ų8254%0.53545%0.45SS..Hα-helixtrans-72.4-32.2178.3-64.6-33.1000112.3D67 V71 R72 L73D67-D69 PolarHBondContact O-N 3.39Å; D69-V71 VanDerWaalsContact C-N 3.33Å; D69-V71 PolarHBondContact O-N 3.38Å; D69-R72 PolarHBondContact O-N 2.89Å; D69-R72 IonicContact OD1-CZ 2.69Å; D69-R72 IonicContact OD1-NH1 3.99Å; D69-R72 PolarHBondContact OD1-NH1 3Å; D69-L73 WeakPolarHBondContact O-CB 3.35Å; D69-L73 PolarHBondContact O-N 3.49Å
70D94.6Very high93.2Very high14 Ų1484 Ų848%0.07545%0.454CS..Hα-helixtrans-64.7-41174.3-59.4-38.7000110.6A54 S58 V66 D67 A74A54-D70 HydrophobicContact CB-CB 4.22Å; S58-D70 WeakPolarHBondContact CB-OD2 3.32Å; V66-D70 HydrophobicContact CG1-CB 4.12Å; D67-D70 PolarHBondContact N-OD2 3.44Å; D67-D70 WeakPolarHBondContact O-CB 3.48Å; D67-D70 PolarHBondContact O-N 3.27Å; D67-D70 VanDerWaalsContact O-N 3.15Å; D70-A74 WeakPolarHBondContact O-CB 3.44Å; D70-A74 PolarHBondContact O-N 2.93Å
71V95.6Very high92.7Very high41 Ų4183.8 Ų83.825%0.24845%0.453CS..Hα-helixtrans-68.6-41.5176.51790000111.3I50 A54 V66 D67 A68 D69 L73 A74 I75I50-V71 HydrophobicContact CG2-CG1 4.24Å; A54-V71 HydrophobicContact CB-CG2 4.07Å; V66-V71 HydrophobicContact CG1-CG2 4.03Å; D67-V71 PolarHBondContact O-N 3.41Å; A68-V71 PolarHBondContact O-N 3.26Å; D69-V71 VanDerWaalsContact C-N 3.33Å; D69-V71 PolarHBondContact O-N 3.38Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.21Å; V71-A74 PolarHBondContact O-N 2.83Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.26Å; V71-I75 PolarHBondContact O-N 3.17Å
72R95.3Very high92.1Very high166 Ų16684.7 Ų84.763%0.62646%0.457SS*.Hα-helixtrans-60.8-44.4176-75.4167.4176.4175-4.7111.5A68 D69 I75 Q76A68-R72 VanDerWaalsContact O-CG 3.25Å; A68-R72 WeakPolarHBondContact O-CG 3.47Å; A68-R72 PolarHBondContact O-N 3.03Å; D69-R72 PolarHBondContact O-N 2.89Å; D69-R72 IonicContact OD1-CZ 2.69Å; D69-R72 IonicContact OD1-NH1 3.99Å; D69-R72 PolarHBondContact OD1-NH1 3Å; R72-I75 PolarHBondContact O-N 2.92Å; R72-Q76 PolarHBondContact O-N 2.9Å
73L95.2Very high91.3Very high77 Ų7781.3 Ų81.340%0.40344%0.442SS..Hα-helixtrans-61.9-45.1176.6-178.561000111.3Y57 D69 V71 I75 Q76 C77Y57-L73 HydrophobicContact CD1-CD2 4.36Å; Y57-L73 HydrophobicContact CD2-CB 4.29Å; Y57-L73 HydrophobicContact CD2-CD2 3.98Å; Y57-L73 HydrophobicContact CD2-CG 4.11Å; Y57-L73 HydrophobicContact CE2-CB 4.37Å; Y57-L73 HydrophobicContact CE2-CD2 4.2Å; Y57-L73 HydrophobicContact CE2-CG 3.96Å; Y57-L73 HydrophobicContact CG-CD2 4.07Å; D69-L73 WeakPolarHBondContact O-CB 3.35Å; D69-L73 PolarHBondContact O-N 3.49Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.21Å; L73-I75 PolarHBondContact O-N 3.41Å; L73-Q76 PolarHBondContact O-N 3.35Å; L73-C77 PolarHBondContact O-N 3.32Å; L73-C77 PolarHBondContact O-SG 3.24Å
74A95.1Very high90.8Very high0 Ų083.2 Ų83.20%046%0.462CS..Hα-helixtrans-59.3-44.1176.200000113.2I50 D53 A54 Y57 D70 V71 Q76 R78I50-A74 HydrophobicContact CG2-CB 4.15Å; D53-A74 HydrophobicContact CB-CB 3.92Å; A54-A74 HydrophobicContact CB-CB 4.43Å; Y57-A74 HydrophobicContact CD2-CB 4.21Å; Y57-A74 HydrophobicContact CE2-CB 3.78Å; D70-A74 WeakPolarHBondContact O-CB 3.44Å; D70-A74 PolarHBondContact O-N 2.93Å; V71-A74 PolarHBondContact O-N 2.83Å; A74-Q76 VanDerWaalsContact C-N 3.34Å; A74-Q76 PolarHBondContact O-N 3.49Å; A74-R78 WeakPolarHBondContact O-CB 3.36Å; A74-R78 WeakPolarHBondContact O-CG 3.37Å; A74-R78 PolarHBondContact O-N 3.38Å
75I94.3Very high90.2Very high77 Ų7782.4 Ų82.440%0.39545%0.45SS..Hα-helixtrans-62.2-44.3176.1-67.4165.8000110.6I50 V71 R72 L73 R78 A79I50-I75 HydrophobicContact CD1-CG1 4.04Å; I50-I75 HydrophobicContact CG2-CG1 4.07Å; V71-I75 HydrophobicContact CG1-CD1 3.89Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.26Å; V71-I75 PolarHBondContact O-N 3.17Å; R72-I75 PolarHBondContact O-N 2.92Å; L73-I75 PolarHBondContact O-N 3.41Å; I75-R78 PolarHBondContact O-N 3.45Å; I75-A79 VanDerWaalsContact O-CB 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.35Å; I75-A79 PolarHBondContact O-N 2.9Å
76Q93.1Very high89.5Confident121 Ų12183.5 Ų83.557%0.56546%0.458SS*.Hα-helixtrans-63.3-48.6-179.4-171.5173.72.300111.8R72 L73 A74 R78 A79 D80R72-Q76 PolarHBondContact O-N 2.9Å; L73-Q76 PolarHBondContact O-N 3.35Å; A74-Q76 VanDerWaalsContact C-N 3.34Å; A74-Q76 PolarHBondContact O-N 3.49Å; Q76-R78 VanDerWaalsContact C-N 3.31Å; Q76-R78 PolarHBondContact O-N 3.36Å; Q76-A79 WeakPolarHBondContact O-CB 3.32Å; Q76-A79 PolarHBondContact O-N 3.26Å; Q76-A79 VanDerWaalsContact O-N 3.17Å; Q76-D80 PolarHBondContact O-N 2.88Å
77C91.4Very high88.9Confident53 Ų5383.5 Ų83.536%0.35846%0.46SS..Hα-helixtrans-62.3-37.6178.4-67.60000112.6L73 Q81L73-C77 PolarHBondContact O-N 3.32Å; L73-C77 PolarHBondContact O-SG 3.24Å; C77-Q81 PolarHBondContact O-N 3.01Å
78R90.1Very high88.7Confident73 Ų7385 Ų8528%0.27547%0.472SS..Hα-helixtrans-70.3-37174.9-78.5-92.694.2-1778.3112.4I50 A74 I75 Q76 Q81 S82I50-R78 HydrophobicContact CD1-CB 3.95Å; I50-R78 HydrophobicContact CD1-CG 3.7Å; A74-R78 WeakPolarHBondContact O-CB 3.36Å; A74-R78 WeakPolarHBondContact O-CG 3.37Å; A74-R78 PolarHBondContact O-N 3.38Å; I75-R78 PolarHBondContact O-N 3.45Å; Q76-R78 VanDerWaalsContact C-N 3.31Å; Q76-R78 PolarHBondContact O-N 3.36Å; R78-Q81 PolarHBondContact O-N 3.4Å; R78-S82 WeakPolarHBondContact O-CB 3.13Å; R78-S82 PolarHBondContact O-N 3.04Å; R78-S82 PolarHBondContact O-OG 3.41Å
79A88.1Confident88.6Confident33 Ų3390.4 Ų90.427%0.27348%0.478SS..Hα-helixtrans-57.9-50.4174.800000110.6I75 Q76 Q81 S82 F83I75-A79 VanDerWaalsContact O-CB 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.35Å; I75-A79 PolarHBondContact O-N 2.9Å; Q76-A79 WeakPolarHBondContact O-CB 3.32Å; Q76-A79 PolarHBondContact O-N 3.26Å; Q76-A79 VanDerWaalsContact O-N 3.17Å; A79-Q81 PolarHBondContact O-N 3.12Å; A79-S82 PolarHBondContact O-N 3.06Å; A79-F83 CarbonylContact O-C 3.56Å; A79-F83 WeakPolarHBondContact O-CA 3.22Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 2.93Å; A79-F83 VanDerWaalsContact O-O 3.13Å
80D85.9Confident88.4Confident128 Ų12890.8 Ų90.868%0.68448%0.481SS*.Hα-helixtrans-62.8-28.2-179.7-65.2-23.2000113.1Q76Q76-D80 PolarHBondContact O-N 2.88Å
81Q84.8Confident88.3Confident141 Ų14195.5 Ų95.566%0.65950%0.501SS*.Hα-helixtrans-89.2-36.9-178-164.8165.93500114C77 R78 A79C77-Q81 PolarHBondContact O-N 3.01Å; R78-Q81 PolarHBondContact O-N 3.4Å; A79-Q81 PolarHBondContact O-N 3.12Å
82S80.6Confident88.2Confident71 Ų7198 Ų9850%0.49751%0.512SS..Hα-helixtrans-109.8-26.1-170-53.60000113.4R78 A79R78-S82 WeakPolarHBondContact O-CB 3.13Å; R78-S82 PolarHBondContact O-N 3.04Å; R78-S82 PolarHBondContact O-OG 3.41Å; A79-S82 PolarHBondContact O-N 3.06Å
83F78.4Confident88.2Confident128 Ų12893.2 Ų93.256%0.56150%0.499SS*.  trans-106.597.3-178.9-66.4-92000109.1A79 S85A79-F83 CarbonylContact O-C 3.56Å; A79-F83 WeakPolarHBondContact O-CA 3.22Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 2.93Å; A79-F83 VanDerWaalsContact O-O 3.13Å; F83-S85 PolarHBondContact O-N 3.33Å
84T82.4Confident88.2Confident134 Ų13493.4 Ų93.482%0.82250%0.5SS*.PPolyproline II helixtrans-74.8119.4169.3-174.30000108.9
85S76.5Confident88.1Confident92 Ų9296.7 Ų96.764%0.64352%0.517SS*.PPolyproline II helixtrans-79.9139.6162.952.90000108.1F83F83-S85 PolarHBondContact O-N 3.33Å
86P78.8Confident88.2Confident116 Ų11694.7 Ų94.775%0.75351%0.512SS*.PPolyproline II helixtrans-55.6133.1174.523.1-31.6000108.5
87P83.4Confident88.3Confident65 Ų6596.1 Ų96.142%0.42251%0.512SS..PPolyproline II helixtrans-53.1145.1-178.2-26.532.8000111.4R89 F91 L92P87-R89 PolarHBondContact O-N 3.42Å; P87-F91 HydrophobicContact CB-CD1 3.96Å; P87-L92 HydrophobicContact CB-CD2 4.41Å; P87-L92 HydrophobicContact CB-CG 4.31Å
88P90.4Very high88.5Confident88 Ų88100.1 Ų100.157%0.57153%0.525SS*.PPolyproline II helixtrans-54142.8179.6-19.927.6000111.1D90 F91 L92P88-D90 PolarHBondContact O-N 3.14Å; P88-F91 HydrophobicContact CB-CB 4.46Å; P88-F91 WeakPolarHBondContact O-CB 3.37Å; P88-F91 PolarHBondContact O-N 3.35Å; P88-F91 VanDerWaalsContact O-N 3.08Å; P88-L92 PolarHBondContact O-N 2.97Å; P88-L92 VanDerWaalsContact O-N 3.16Å
89R90.9Very high88.6Confident180 Ų180105.3 Ų105.368%0.67955%0.545SS*.Hα-helixtrans-54.6-38.9-179.7-178175179.4-88.6-1.2112P87 F91 L92 L93P87-R89 PolarHBondContact O-N 3.42Å; R89-F91 PolarHBondContact O-N 3.49Å; R89-L92 PolarHBondContact O-N 3.38Å; R89-L93 HydrophobicContact CG-CD1 4.24Å; R89-L93 HydrophobicContact CG-CG 4.35Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.41Å
90D91.9Very high88.9Confident109 Ų109110 Ų11058%0.58357%0.565SS**Hα-helixtrans-65.8-39.4-178.6-57.8-35.9000111.9P88 L92 L93 D94P88-D90 PolarHBondContact O-N 3.14Å; D90-L92 PolarHBondContact O-N 2.94Å; D90-L93 WeakPolarHBondContact O-CB 3.47Å; D90-L93 PolarHBondContact O-N 3.44Å; D90-D94 PolarHBondContact O-N 3.47Å
91F93Very high89.4Confident113 Ų113110.5 Ų110.550%0.49656%0.564SS.*Hα-helixtrans-62.3-42.8173.7-179.5-106.5000111.8P87 P88 R89 L93 D94 I95P87-F91 HydrophobicContact CB-CD1 3.96Å; P88-F91 HydrophobicContact CB-CB 4.46Å; P88-F91 WeakPolarHBondContact O-CB 3.37Å; P88-F91 PolarHBondContact O-N 3.35Å; P88-F91 VanDerWaalsContact O-N 3.08Å; R89-F91 PolarHBondContact O-N 3.49Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 3.05Å; F91-D94 PolarHBondContact O-N 3.05Å; F91-I95 HydrophobicContact CD1-CD1 3.85Å; F91-I95 HydrophobicContact CE1-CD1 3.41Å; F91-I95 VanDerWaalsContact CE1-CD1 3.41Å; F91-I95 HydrophobicContact CE1-CG1 4.5Å; F91-I95 HydrophobicContact CE2-CD1 4.42Å; F91-I95 HydrophobicContact CZ-CD1 3.74Å; F91-I95 WeakPolarHBondContact O-CG1 3.43Å; F91-I95 PolarHBondContact O-N 2.94Å; F91-I95 VanDerWaalsContact O-N 3.12Å
92L93.2Very high89.7Confident92 Ų92108.5 Ų108.548%0.48256%0.562SS.*Hα-helixtrans-65.4-35.7174.5-68.8175000112.3P87 P88 R89 D90 A96P87-L92 HydrophobicContact CB-CD2 4.41Å; P87-L92 HydrophobicContact CB-CG 4.31Å; P88-L92 PolarHBondContact O-N 2.97Å; P88-L92 VanDerWaalsContact O-N 3.16Å; R89-L92 PolarHBondContact O-N 3.38Å; D90-L92 PolarHBondContact O-N 2.94Å; L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.39Å; L92-A96 PolarHBondContact O-N 3.48Å
93L95.1Very high90.2Very high67 Ų67110.3 Ų110.335%0.35157%0.571SS.*Hα-helixtrans-67.9-36.9176.3-76.1176.7000112.5R89 D90 F91 A96 R97R89-L93 HydrophobicContact CG-CD1 4.24Å; R89-L93 HydrophobicContact CG-CG 4.35Å; R89-L93 WeakPolarHBondContact O-CG 3.44Å; R89-L93 PolarHBondContact O-N 3.41Å; D90-L93 WeakPolarHBondContact O-CB 3.47Å; D90-L93 PolarHBondContact O-N 3.44Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 3.05Å; L93-A96 PolarHBondContact O-N 3.36Å; L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 3.4Å
94D93.9Very high90.7Very high81 Ų81111.8 Ų111.843%0.43358%0.584SS.*Hα-helixtrans-67.2-43.4175.5-72.4-24.5000111.4D90 F91 A96 R97 Q98D90-D94 PolarHBondContact O-N 3.47Å; F91-D94 PolarHBondContact O-N 3.05Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 2.87Å; D94-R97 PolarHBondContact O-N 3.44Å; D94-R97 IonicContact OD1-CZ 3.4Å; D94-R97 IonicContact OD1-NH1 3.43Å; D94-R97 PolarHBondContact OD1-NH1 2.87Å; D94-R97 IonicContact OD1-NH2 3.93Å; D94-R97 PolarHBondContact OD1-NH2 2.93Å; D94-Q98 PolarHBondContact O-N 3.33Å
95I94.4Very high90.9Very high69 Ų69110.8 Ų110.835%0.35458%0.58SS.*Hα-helixtrans-59.2-46.5171.6-66.7168.5000110.1F91 R97 Q98 R99F91-I95 HydrophobicContact CD1-CD1 3.85Å; F91-I95 HydrophobicContact CE1-CD1 3.41Å; F91-I95 VanDerWaalsContact CE1-CD1 3.41Å; F91-I95 HydrophobicContact CE1-CG1 4.5Å; F91-I95 HydrophobicContact CE2-CD1 4.42Å; F91-I95 HydrophobicContact CZ-CD1 3.74Å; F91-I95 WeakPolarHBondContact O-CG1 3.43Å; F91-I95 PolarHBondContact O-N 2.94Å; F91-I95 VanDerWaalsContact O-N 3.12Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.49Å; I95-Q98 PolarHBondContact O-N 2.98Å; I95-R99 HydrophobicContact CG2-CG 4.15Å; I95-R99 WeakPolarHBondContact O-CB 3.45Å; I95-R99 VanDerWaalsContact O-CG 3.26Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.02Å
96A95Very high91.2Very high35 Ų35114.6 Ų114.629%0.28959%0.592SS.*Hα-helixtrans-60.6-43.9178.500000111.3L92 L93 D94 Q98 R99 N100L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.39Å; L92-A96 PolarHBondContact O-N 3.48Å; L93-A96 PolarHBondContact O-N 3.36Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 2.87Å; A96-Q98 PolarHBondContact O-N 2.89Å; A96-R99 PolarHBondContact O-N 3.32Å; A96-N100 WeakPolarHBondContact O-CB 3.29Å; A96-N100 PolarHBondContact O-N 3.01Å; A96-N100 PolarHBondContact O-ND2 3.42Å; A96-N100 PolarHBondContact O-OD1 3.26Å
97R95.4Very high91.4Very high150 Ų150117 Ų11757%0.56660%0.597SS**Hα-helixtrans-59.7-46.7176.4-165.6-173.7-57.9117.97110.8L93 D94 I95 Q101L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 3.4Å; D94-R97 PolarHBondContact O-N 3.44Å; D94-R97 IonicContact OD1-CZ 3.4Å; D94-R97 IonicContact OD1-NH1 3.43Å; D94-R97 PolarHBondContact OD1-NH1 2.87Å; D94-R97 IonicContact OD1-NH2 3.93Å; D94-R97 PolarHBondContact OD1-NH2 2.93Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.49Å; R97-Q101 VanDerWaalsContact O-CG 3.26Å; R97-Q101 WeakPolarHBondContact O-CG 3.42Å; R97-Q101 PolarHBondContact O-N 3.47Å; R97-Q101 VanDerWaalsContact O-N 3.17Å
98Q95.5Very high90.9Very high137 Ų137122.3 Ų122.364%0.6461%0.613SS**Hα-helixtrans-63.4-42178.5-173.8-178.9-2.600112.3D94 I95 A96D94-Q98 PolarHBondContact O-N 3.33Å; I95-Q98 PolarHBondContact O-N 2.98Å; A96-Q98 PolarHBondContact O-N 2.89Å
99R93.9Very high90.3Very high182 Ų182124.6 Ų124.669%0.68763%0.628SS**Hα-helixtrans-71.8-40.2179.6-65.5-62.2-67165.6-3.1112.2I95 A96 Q101 T102I95-R99 HydrophobicContact CG2-CG 4.15Å; I95-R99 WeakPolarHBondContact O-CB 3.45Å; I95-R99 VanDerWaalsContact O-CG 3.26Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.02Å; A96-R99 PolarHBondContact O-N 3.32Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 3.38Å; R99-T102 PolarHBondContact O-N 3.36Å
100N94.6Very high89.1Confident131 Ų131125.4 Ų125.470%0.70163%0.633SS**Hα-helixtrans-77.5-9.9-177-63.6-12.3000113.4A96 T102A96-N100 WeakPolarHBondContact O-CB 3.29Å; A96-N100 PolarHBondContact O-N 3.01Å; A96-N100 PolarHBondContact O-ND2 3.42Å; A96-N100 PolarHBondContact O-OD1 3.26Å; N100-T102 PolarHBondContact O-N 3.45Å
101Q94.9Very high87.8Confident139 Ų139125.9 Ų125.965%0.6565%0.645SS**THydrogen-bonded Turntrans-65.3-25170.6-82.8167.82100112.9R97 R99 P103R97-Q101 VanDerWaalsContact O-CG 3.26Å; R97-Q101 WeakPolarHBondContact O-CG 3.42Å; R97-Q101 PolarHBondContact O-N 3.47Å; R97-Q101 VanDerWaalsContact O-N 3.17Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 3.38Å; Q101-P103 VanDerWaalsContact O-CD 3.32Å; Q101-P103 WeakPolarHBondContact O-CD 3.41Å
102T92Very high87.1Confident100 Ų100122.6 Ų122.661%0.61364%0.643SS**SBendtrans-79.1114.5177.5-53.60000108.7R99 N100R99-T102 PolarHBondContact O-N 3.36Å; N100-T102 PolarHBondContact O-N 3.45Å
103P89.9Confident86.4Confident108 Ų108124.2 Ų124.270%0.70166%0.659SS**PPolyproline II helixtrans-62.5149.6179.227.2-34.4000110.2Q101Q101-P103 VanDerWaalsContact O-CD 3.32Å; Q101-P103 WeakPolarHBondContact O-CD 3.41Å
104L88.9Confident85.5Confident160 Ų160131.8 Ų131.884%0.83868%0.683SS**PPolyproline II helixtrans-62.4141.7178.8-63.4175.3000110.5
105P87.1Confident84.9Confident112 Ų112134 Ų13473%0.72769%0.694SS**PPolyproline II helixtrans-57.9141.3172.6-2333.2000111.3I107P105-I107 PolarHBondContact O-N 3.27Å
106L83.7Confident84.4Confident172 Ų172133.9 Ų133.990%0.90170%0.698SS**PPolyproline II helixtrans-57.7127.4177.3-68119.7000110.8K108L106-K108 PolarHBondContact O-N 3.16Å
107I81.4Confident83.9Confident167 Ų167135.7 Ų135.786%0.85671%0.706SS**  trans-75.3114.7176.1-56171.6000107.6P105P105-I107 PolarHBondContact O-N 3.27Å
108K74.2Confident83.2Confident176 Ų176134.7 Ų134.777%0.76571%0.712SS**  trans-76.4141.9170.2-70-174.2178.7-175.40109L106 Y110L106-K108 PolarHBondContact O-N 3.16Å; K108-Y110 PolarHBondContact O-N 3.43Å
109P77.3Confident82.5Confident136 Ų136138.3 Ų138.388%0.88372%0.72SS**SBendtrans-7118.4-177.229.8-35.8000114.4S111P109-S111 PolarHBondContact O-N 2.75Å
110Y66.7Low81.9Confident197 Ų197137.3 Ų137.377%0.77372%0.717SS**  trans-77.9117.3177.2-172.2-96.2000109.4K108 G112K108-Y110 PolarHBondContact O-N 3.43Å; Y110-G112 PolarHBondContact O-N 2.96Å
111S62.7Low81.4Confident120 Ų120132.2 Ų132.284%0.83969%0.692SS**  trans-67.695.7176.7-54.90000110.6P109P109-S111 PolarHBondContact O-N 2.75Å
112G78.4Confident80.9Confident44 Ų44133.3 Ų133.345%0.45470%0.701SS.*SBendtrans168.5159.2169.600000115Y110 R114Y110-G112 PolarHBondContact O-N 2.96Å; G112-R114 PolarHBondContact O-N 3.37Å
113P79.2Confident80.5Confident125 Ų125133.7 Ų133.781%0.81270%0.704SS**  trans-61.1124.8173.1-18.630.8000110.8L115P113-L115 PolarHBondContact O-N 3.19Å
114R76.1Confident80Confident226 Ų226131.9 Ų131.985%0.85370%0.698SS**  trans-81.5101.3174.8-174.4171.8-177.5-931.2109.5G112G112-R114 PolarHBondContact O-N 3.37Å
115L82.1Confident79.7Confident127 Ų127129 Ų12967%0.66569%0.689SS**PPolyproline II helixtrans-68.7148.2169.6-64177.5000110.4P113P113-L115 PolarHBondContact O-N 3.19Å
116P84.4Confident79.4Confident68 Ų68131 Ų13144%0.44269%0.693SS.*PPolyproline II helixtrans-53.4160.9163.5-24.135.2000111.3C121P116-C121 PolarHBondContact O-SG 3.32Å
117P83.6Confident79.4Confident72 Ų72130.9 Ų130.947%0.46868%0.682SS.*PPolyproline II helixtrans-49.4145.1168.9-24.330.1000111.1R119 Y120 C121P117-R119 PolarHBondContact O-N 2.97Å; P117-Y120 HydrophobicContact CB-CD2 3.88Å; P117-Y120 HydrophobicContact CB-CE2 4.31Å; P117-Y120 HydrophobicContact CG-CD2 3.86Å; P117-Y120 HydrophobicContact CG-CE2 4.14Å; P117-Y120 WeakPolarHBondContact O-CA 3.44Å; P117-Y120 PolarHBondContact O-N 3.49Å; P117-C121 PolarHBondContact O-N 2.84Å
118D79.9Confident79.4Confident130 Ų130134.3 Ų134.370%0.69568%0.684SS**G310 helixtrans-50.4-33.2-173.9-171.457.6000114Y120 C121D118-Y120 PolarHBondContact O-N 2.89Å; D118-C121 WeakPolarHBondContact O-CB 3.41Å; D118-C121 PolarHBondContact O-N 3.33Å
119R80.9Confident79.8Confident212 Ų212133.3 Ų133.380%0.869%0.686SS**G310 helixtrans-61.3-24.1174.5-59.8-172.8-62.4-177.80.1114.8P117P117-R119 PolarHBondContact O-N 2.97Å
120Y81.8Confident80Confident161 Ų161136.3 Ų136.363%0.63169%0.685SS**G310 helixtrans-105.13.9176.3-53.3-67.1000111.8P117 D118P117-Y120 HydrophobicContact CB-CD2 3.88Å; P117-Y120 HydrophobicContact CB-CE2 4.31Å; P117-Y120 HydrophobicContact CG-CD2 3.86Å; P117-Y120 HydrophobicContact CG-CE2 4.14Å; P117-Y120 WeakPolarHBondContact O-CA 3.44Å; P117-Y120 PolarHBondContact O-N 3.49Å; D118-Y120 PolarHBondContact O-N 2.89Å
121C84.6Confident80.5Confident24 Ų24132 Ų13216%0.16269%0.685CS.*SBendtrans-91.5132.2172.5-73.20000109.9P116 P117 D118 T123P116-C121 PolarHBondContact O-SG 3.32Å; P117-C121 PolarHBondContact O-N 2.84Å; D118-C121 WeakPolarHBondContact O-CB 3.41Å; D118-C121 PolarHBondContact O-N 3.33Å; C121-T123 PolarHBondContact O-N 3.24Å
122L83.9Confident81Confident163 Ų163134.4 Ų134.485%0.85369%0.687SS**THydrogen-bonded Turntrans-81.343.8176.3-62.2174.9000111.8
123T83.5Confident80.5Confident108 Ų108141 Ų14166%0.66371%0.706SS**THydrogen-bonded Turntrans-95-24.5-175.9-48.30000112C121C121-T123 PolarHBondContact O-N 3.24Å
124A80.6Confident79.6Confident69 Ų69144 Ų14457%0.5771%0.706SS**SBendtrans-75.6138.5178.600000111.5N126A124-N126 PolarHBondContact O-N 2.98Å
125P80.7Confident78.9Confident101 Ų101142.7 Ų142.766%0.65671%0.707SS**  trans-60.4119.9173.1-20.130.5000111.3Y127P125-Y127 HydrophobicContact CB-CD1 4.48Å; P125-Y127 HydrophobicContact CB-CE1 4.36Å; P125-Y127 PolarHBondContact O-N 3.21Å
126N81.1Confident77.8Confident154 Ų154140.5 Ų140.582%0.82471%0.707SS**SBendtrans-76.69.8174.5-71.5-33000113.5A124A124-N126 PolarHBondContact O-N 2.98Å
127Y84.2Confident76.1Confident169 Ų169142.5 Ų142.566%0.66372%0.72SS**  trans-136.4144.7-179.665.7-86.2000110.7P125 L129P125-Y127 HydrophobicContact CB-CD1 4.48Å; P125-Y127 HydrophobicContact CB-CE1 4.36Å; P125-Y127 PolarHBondContact O-N 3.21Å; Y127-L129 HydrophobicContact CD2-CG 4.38Å; Y127-L129 HydrophobicContact CE2-CG 4.34Å
128R82.2Confident75.1Confident239 Ų239143 Ų14390%0.90273%0.731SS**  trans-116.8120.2169-64.9-176.976.8171.74.5107.9K130R128-K130 PolarHBondContact O-N 3.19Å
129L82.4Confident73.6Confident154 Ų154143.1 Ų143.181%0.80674%0.738SS**PPolyproline II helixtrans-67.3121.9169.7-71.7164.6000107.7Y127 S131Y127-L129 HydrophobicContact CD2-CG 4.38Å; Y127-L129 HydrophobicContact CE2-CG 4.34Å; L129-S131 PolarHBondContact O-N 3.17Å
130K80.5Confident72.1Confident199 Ų199138.3 Ų138.387%0.86574%0.744SS**PPolyproline II helixtrans-65.8121.9166.9-66.4-178.1-179.8-179.80106.4R128 L132R128-K130 PolarHBondContact O-N 3.19Å; K130-L132 PolarHBondContact O-N 3.39Å; K130-L132 VanDerWaalsContact O-N 3.16Å
131S78Confident70.5Confident108 Ų108134.1 Ų134.176%0.75575%0.75SS**PPolyproline II helixtrans-59.2123.6171.350.20000107.9L129 Q133L129-S131 PolarHBondContact O-N 3.17Å; S131-Q133 PolarHBondContact O-N 3.29Å
132L72.7Confident68.7Low170 Ų170144.7 Ų144.789%0.8979%0.786SS**  trans-63.6111.3164.5-124.675.2000105K130 K134K130-L132 PolarHBondContact O-N 3.39Å; K130-L132 VanDerWaalsContact O-N 3.16Å; L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 3.37Å
133Q68.5Low67.2Low183 Ų183144.8 Ų144.886%0.85579%0.786SS**  trans-58.7101.3168.7-72.7-171.4-26.300106.7S131 K135S131-Q133 PolarHBondContact O-N 3.29Å; Q133-K135 PolarHBondContact O-N 3.01Å
134K59.7Low65.7Low187 Ų187145.8 Ų145.881%0.81379%0.792SS**  trans-65.292.7168.6-176174179.21750105.5L132 A136L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 3.37Å; K134-A136 PolarHBondContact O-N 2.99Å
135K61.6Low64.1Low198 Ų198148.9 Ų148.986%0.86180%0.803SS**  trans-55.9110.6165-147.5177.2-173.3-178.60104.6Q133Q133-K135 PolarHBondContact O-N 3.01Å
136A58.4Low62.6Low81 Ų81150.1 Ų150.167%0.66981%0.812SS**PPolyproline II helixtrans-53.4134.8-177.800000108.6K134 A138K134-A136 PolarHBondContact O-N 2.99Å; A136-A138 PolarHBondContact O-N 2.98Å
137P49.7Very low61.2Low110 Ų110154.1 Ų154.171%0.71482%0.815SS**PPolyproline II helixtrans-63.3123.9171.825.7-30.3000107.9
138A62.4Low59.2Low84 Ų84154.3 Ų154.369%0.69483%0.827SS**PPolyproline II helixtrans-56.7148.6165.600000109.2A136A136-A138 PolarHBondContact O-N 2.98Å
139P48.6Very low57.9Low132 Ų132148.2 Ų148.286%0.85782%0.821SS**SBendtrans-59.1143.9-17724.2-32.3000111.4
140A49.2Very low56.2Low111 Ų111147.8 Ų147.892%0.91782%0.824SS**PPolyproline II helixtrans-59.9137.8-161.500000115.1
141G47.7Very low54.4Low73 Ų73141.5 Ų141.575%0.75382%0.816SS**  trans-175110.3163.700000111.5
142R47Very low53.3Low245 Ų245142.1 Ų142.193%0.92582%0.82SS**  trans93.7109.1167.7-140.2169.8-170.8166.72.1117
143I52Low51.9Low165 Ų165141.1 Ų141.185%0.84682%0.821SS**  trans-68.1122.9175.9-60.3162.3000109.3
144T51.5Low50.9Low129 Ų129137.8 Ų137.879%0.79182%0.818SS**  trans-134.8135.1158.850.10000108.6
145V48.3Very low49.9Very low134 Ų134134.5 Ų134.581%0.81282%0.818SS**PPolyproline II helixtrans-67.7143.8-171.7-70.10000112.4
146P48.1Very low49.2Very low128 Ų128135.8 Ų135.883%0.83182%0.817SS**PPolyproline II helixtrans-84.9125.3-179.4117.2000111.9
147R52.2Low48.2Very low237 Ų237137.6 Ų137.689%0.89482%0.822SS**PPolyproline II helixtrans-82.5121.3164-176.3-159.8177.1-177.92.2109.1S149R147-S149 PolarHBondContact O-N 3.29Å
148L42.4Very low47.8Very low174 Ų174137.9 Ų137.991%0.91183%0.827SS**PPolyproline II helixtrans-65.6123174.1-74.2151.1000110.7
149S55Low47.1Very low110 Ų110139.8 Ų139.877%0.76983%0.831SS**  trans-121121.7168.8-177.60000108.4R147 G151R147-S149 PolarHBondContact O-N 3.29Å; S149-G151 PolarHBondContact O-N 3.16Å
150V47.1Very low46.7Very low146 Ų146139.6 Ų139.689%0.88583%0.829SS**  trans-77.9111.8178.4172.80000108.4
151G43.3Very low46.3Very low67 Ų67140.8 Ų140.869%0.69183%0.825SS**  trans-82.6132.1175.900000112S149S149-G151 PolarHBondContact O-N 3.16Å
152S54Low45.8Very low120 Ų120145.7 Ų145.784%0.83983%0.833SS**  trans-70.8135.9178.644.50000112.7S154S152-S154 PolarHBondContact O-N 3.04Å
153V44Very low45.3Very low149 Ų149137.3 Ų137.390%0.90382%0.823SS**  trans-79.8113.5168.5-70.60000109
154S47.1Very low44.8Very low114 Ų114136 Ų13680%0.79782%0.822SS**  trans-109.6104.4167.9-170.50000108.7S152S152-S154 PolarHBondContact O-N 3.04Å
155S38.8Very low44.1Very low117 Ų117135.6 Ų135.682%0.81882%0.822SS**  trans-84.4111.316842.60000108.5
156R45.4Very low43.5Very low225 Ų225135.6 Ų135.685%0.84982%0.823SS**  trans-108.3121.8164.9-157.9175.5-172.4-140.71.5108.9
157P38Very low43.1Very low119 Ų119135.2 Ų135.277%0.77382%0.82SS**  trans-76.1124.8175.728.9-31.2000109.6
158S41.9Very low42.2Very low117 Ų117131.9 Ų131.982%0.81882%0.815SS**  trans-94111169.7-60.40000108.9
159T46.5Very low41.7Very low124 Ų124130 Ų13076%0.76181%0.811SS**PPolyproline II helixtrans-65.8132.7165.240.40000110.3T161T159-T161 PolarHBondContact O-N 3.4Å
160P41.8Very low40.7Very low127 Ų127132 Ų13283%0.82581%0.81SS**PPolyproline II helixtrans-78.5119.2173.830-29.6000110.1
161T40.9Very low40.1Very low136 Ų136130.7 Ų130.783%0.83481%0.807SS**PPolyproline II helixtrans-76.2129.3166.536.70000109.9T159 G163T159-T161 PolarHBondContact O-N 3.4Å; T161-G163 PolarHBondContact O-N 2.8Å
162L37.2Very low39.6Very low177 Ų177133.1 Ų133.193%0.92781%0.808SS**PPolyproline II helixtrans-66.4119.7175-171.666.8000109.3
163G36Very low38.6Very low68 Ų68133.5 Ų133.570%0.70181%0.811SS**PPolyproline II helixtrans-66.3142-179.300000113.1T161T161-G163 PolarHBondContact O-N 2.8Å
164T40.7Very low38.2Very low137 Ų137131.8 Ų131.884%0.8480%0.801SS**PPolyproline II helixtrans-60.8144.8172.328.50000112.7
165P38.1Very low37.6Very low122 Ų122136.6 Ų136.679%0.79281%0.808SS**PPolyproline II helixtrans-83.9130.3173.132.2-29.8000111
166T35.3Very low37.6Very low133 Ų133137.3 Ų137.382%0.81681%0.806SS**PPolyproline II helixtrans-78.6135.8165.2170000110.2
167P38.3Very low37.2Very low121 Ų121129.8 Ų129.879%0.78680%0.799SS**PPolyproline II helixtrans-79.4122.6178.728.7-30.4000111.3
168Q34.4Very low38Very low167 Ų167130.6 Ų130.678%0.7880%0.802SS**  trans-92.7109.2162.2-71-164.9-13.700109M170Q168-M170 PolarHBondContact O-N 2.82Å
169T32.7Very low38.1Very low135 Ų135130.9 Ų130.983%0.82880%0.801SS**  trans-63.3116.1167.2-67.30000109.1
170M33.9Very low38Very low152 Ų152133.8 Ų133.875%0.74981%0.808SS**  trans-103114.7163.5-59.9-134.7-177.300108.2Q168 V172Q168-M170 PolarHBondContact O-N 2.82Å; M170-V172 PolarHBondContact O-N 3.39Å
171S32.8Very low38.2Very low118 Ų118136.8 Ų136.883%0.82583%0.832SS**  trans-73.9107.9170.838.70000109.4
172V33.6Very low38Very low117 Ų117136.8 Ų136.871%0.70983%0.832SS**  trans-101.1110168.9-179.50000108M170 T174M170-V172 PolarHBondContact O-N 3.39Å; V172-T174 HydrophobicContact CG1-CG2 4.18Å; V172-T174 PolarHBondContact O-N 2.96Å
173S33.7Very low38.1Very low128 Ų128134.7 Ų134.790%0.89583%0.827SS**  trans-73.2111.5170.2-147.60000108.4
174T34.7Very low38.2Very low113 Ų113138.4 Ų138.469%0.69383%0.834SS**  trans-113.1113.8170.236.20000108.8V172 V176V172-T174 HydrophobicContact CG1-CG2 4.18Å; V172-T174 PolarHBondContact O-N 2.96Å; T174-V176 PolarHBondContact O-N 3.22Å
175K35.9Very low38.1Very low216 Ų216138.5 Ų138.594%0.93983%0.834SS**  trans-83.9102.7168.2-170.1-179.3-178.31800107.2
176V36.9Very low38.1Very low131 Ų131139.5 Ų139.579%0.79484%0.836SS**PPolyproline II helixtrans-102.2124.6171.41620000108.4T174T174-V176 PolarHBondContact O-N 3.22Å
177G37.9Very low38.2Very low67 Ų67139.9 Ų139.969%0.69184%0.837SS**PPolyproline II helixtrans-74.7144.7172.200000111.8
178T54.3Low38.2Very low137 Ų137141.3 Ų141.384%0.8484%0.841SS**PPolyproline II helixtrans-67.6144.5175.8190000112.5
179P45.1Very low38.5Very low122 Ų122139.3 Ų139.379%0.79285%0.846SS**PPolyproline II helixtrans-86.6133.6158.733.4-26.5000109.4
180M44.2Very low39Very low185 Ų185139.7 Ų139.791%0.91185%0.847SS**PPolyproline II helixtrans-96.9140.7162.7-91-87.4-168.700108.3
181S45.4Very low39.5Very low190 Ų190138.5 Ų138.5100%1.32986%0.856SS**  trans-61.10165.2-56.40000113

Retrieved 181 of 181 residues in 38.1 ms (Link to these results)