A0A087YL86_POEFO Loading...

Golgi membrane protein 1

AlphaFold DB , UniProt , Accession A0A087YL86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M41.6Very low52.1Low248 Ų248139.6 Ų139.6100%1.22287%0.865SS**  0145.60-76.4179165.200108.4
2G49.3Very low52.9Low86 Ų86148.4 Ų148.489%0.88787%0.87SS**  trans68122.2166.200000116.3
3G53.9Low53.3Low76 Ų76141.8 Ų141.878%0.78484%0.843SS**  cis-172.2157.9-5.600000110.8
4L55.6Low54.8Low184 Ų184137.2 Ų137.296%0.96382%0.819SS**  trans-76.5126.4176.1-68.1114.9000110.3
5G48.5Very low56.2Low77 Ų77135.1 Ų135.179%0.79481%0.81SS**  trans-12540.9-177.900000113.4G7G5-G7 PolarHBondContact O-N 3.19Å
6N53.8Low57.6Low166 Ų166135.6 Ų135.689%0.88881%0.806SS**  trans-70.694.5-175.6-16414.9000110.8
7G48.2Very low59.2Low61 Ų61134.2 Ų134.263%0.62979%0.791SS**  trans-138.284.1-165.700000114.2G5 R9G5-G7 PolarHBondContact O-N 3.19Å; G7-R9 VanDerWaalsContact C-N 3.33Å; G7-R9 PolarHBondContact O-N 3.23Å
8R57.2Low60.7Low252 Ų252130.6 Ų130.695%0.95177%0.77SS**  trans-63.584.8172.6-72.6-177.9170.4-159.8-1.8111.9G10R8-G10 VanDerWaalsContact C-N 3.28Å; R8-G10 PolarHBondContact O-N 3.48Å
9R54.4Low62.1Low242 Ų242126.6 Ų126.691%0.91375%0.753SS**  trans-94.348.8160.1-73.1-166.7175.9-160.50.7111.7G7 G11G7-R9 VanDerWaalsContact C-N 3.33Å; G7-R9 PolarHBondContact O-N 3.23Å; R9-G11 PolarHBondContact O-N 3.04Å; R9-G11 VanDerWaalsContact O-N 3.14Å
10G54.2Low63.4Low67 Ų67122.7 Ų122.769%0.69174%0.736SS**  trans-60.4114.1154.500000107R8 R12R8-G10 VanDerWaalsContact C-N 3.28Å; R8-G10 PolarHBondContact O-N 3.48Å; G10-R12 PolarHBondContact O-N 2.95Å
11G56Low64.7Low77 Ų77121.9 Ų121.979%0.79473%0.727SS**  trans-59.2112.8-169.800000111.1R9 A13R9-G11 PolarHBondContact O-N 3.04Å; R9-G11 VanDerWaalsContact O-N 3.14Å; G11-A13 PolarHBondContact O-N 2.79Å
12R62.4Low67Low245 Ų245114.6 Ų114.693%0.92569%0.692SS**  trans-59.5109.9167.6-85.9176.9156.6147.5-8.2107.6G10G10-R12 PolarHBondContact O-N 2.95Å
13A57.9Low69Low63 Ų63113 Ų11352%0.52167%0.671SS.*  trans-52136.1160.800000107.9G11 V18G11-A13 PolarHBondContact O-N 2.79Å; A13-V18 HydrophobicContact CB-CG2 4.21Å
14P73.8Confident70.8Confident77 Ų77113 Ų11350%0.566%0.658SS.*  trans-55.2132.4179.9-24.833.2000109.7L16 M17 V18P14-L16 PolarHBondContact O-N 3.5Å; P14-M17 HydrophobicContact CB-CB 4.44Å; P14-M17 HydrophobicContact CB-CG 4Å; P14-M17 HydrophobicContact CG-CG 4.02Å; P14-M17 WeakPolarHBondContact O-CB 3.27Å; P14-M17 PolarHBondContact O-N 3.49Å; P14-V18 PolarHBondContact O-N 2.93Å
15P75.9Confident72.6Confident106 Ų106109.7 Ų109.769%0.68864%0.64SS**Hα-helixtrans-59.5-26.8-176.722.7-33000112.3V18 A19P15-V18 PolarHBondContact O-N 3.42Å; P15-A19 WeakPolarHBondContact O-CB 3.33Å; P15-A19 PolarHBondContact O-N 2.9Å
16L79.5Confident74.7Confident142 Ų142111.8 Ų111.874%0.74363%0.632SS**Hα-helixtrans-64.9-36.8172.3-57.2178.9000113.2P14 A19 A20P14-L16 PolarHBondContact O-N 3.5Å; L16-A19 PolarHBondContact O-N 3.5Å; L16-A20 VanDerWaalsContact O-CB 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.32Å; L16-A20 PolarHBondContact O-N 3.01Å
17M83.8Confident76.6Confident113 Ų113108.7 Ų108.756%0.55762%0.619SS**Hα-helixtrans-67.5-39.6175-68.7-67.5-69.100110.9P14 A20 L21P14-M17 HydrophobicContact CB-CB 4.44Å; P14-M17 HydrophobicContact CB-CG 4Å; P14-M17 HydrophobicContact CG-CG 4.02Å; P14-M17 WeakPolarHBondContact O-CB 3.27Å; P14-M17 PolarHBondContact O-N 3.49Å; M17-A20 PolarHBondContact O-N 2.94Å; M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 VanDerWaalsContact O-CG 3.27Å; M17-L21 WeakPolarHBondContact O-CG 3.34Å; M17-L21 PolarHBondContact O-N 3.37Å
18V86.6Confident78.8Confident68 Ų68111.5 Ų111.541%0.41262%0.619SS.*Hα-helixtrans-65.8-44.1176-176.50000110.6A13 P14 P15 L21 I22A13-V18 HydrophobicContact CB-CG2 4.21Å; P14-V18 PolarHBondContact O-N 2.93Å; P15-V18 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 3.33Å; V18-I22 HydrophobicContact CG1-CD1 4.03Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.3Å; V18-I22 PolarHBondContact O-N 3.29Å
19A86.8Confident80.6Confident55 Ų55101.3 Ų101.346%0.45559%0.593SS.*Hα-helixtrans-62.3-42.5175.400000112.6P15 L16 I22 A23P15-A19 WeakPolarHBondContact O-CB 3.33Å; P15-A19 PolarHBondContact O-N 2.9Å; L16-A19 PolarHBondContact O-N 3.5Å; A19-I22 PolarHBondContact O-N 3.04Å; A19-A23 PolarHBondContact O-N 2.85Å
20A89.2Confident82.5Confident49 Ų4996.5 Ų96.541%0.40558%0.579SS.*Hα-helixtrans-63.5-43.517600000112.1L16 M17 I22 A23 C24L16-A20 VanDerWaalsContact O-CB 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.32Å; L16-A20 PolarHBondContact O-N 3.01Å; M17-A20 PolarHBondContact O-N 2.94Å; A20-I22 PolarHBondContact O-N 3.49Å; A20-A23 PolarHBondContact O-N 3.39Å; A20-C24 PolarHBondContact O-N 3.46Å; A20-C24 PolarHBondContact O-SG 2.99Å; A20-C24 VanDerWaalsContact O-SG 3.36Å
21L89.8Confident84.4Confident106 Ų10698.2 Ų98.256%0.55557%0.572SS**Hα-helixtrans-61.3-41.9175-74.4167.6000112M17 V18 C24 I25M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 VanDerWaalsContact O-CG 3.27Å; M17-L21 WeakPolarHBondContact O-CG 3.34Å; M17-L21 PolarHBondContact O-N 3.37Å; V18-L21 PolarHBondContact O-N 3.33Å; L21-C24 PolarHBondContact O-N 2.99Å; L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.9Å
22I89.9Confident86.2Confident95 Ų95102.7 Ų102.749%0.48757%0.566SS.*Hα-helixtrans-61.7-43.9174.7-68.8164000110.8V18 A19 A20 C24 I25 L26V18-I22 HydrophobicContact CG1-CD1 4.03Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.3Å; V18-I22 PolarHBondContact O-N 3.29Å; A19-I22 PolarHBondContact O-N 3.04Å; A20-I22 PolarHBondContact O-N 3.49Å; I22-C24 PolarHBondContact O-N 3.26Å; I22-I25 PolarHBondContact O-N 3.29Å; I22-L26 HydrophobicContact CG2-CD1 4.23Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 3Å
23A91.9Very high87.7Confident53 Ų5399.7 Ų99.744%0.43856%0.555SS.*Hα-helixtrans-61.7-43.3176.200000112.2A19 A20 I25 L26 V27A19-A23 PolarHBondContact O-N 2.85Å; A20-A23 PolarHBondContact O-N 3.39Å; A23-I25 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 3.08Å; A23-V27 WeakPolarHBondContact O-CG2 3.44Å; A23-V27 PolarHBondContact O-N 3.47Å
24C91.8Very high89.4Confident74 Ų7499 Ų9950%0.554%0.544SS..Hα-helixtrans-60.8-43.4173.8-68.90000112.2A20 L21 I22 L26 V27 L28A20-C24 PolarHBondContact O-N 3.46Å; A20-C24 PolarHBondContact O-SG 2.99Å; A20-C24 VanDerWaalsContact O-SG 3.36Å; L21-C24 PolarHBondContact O-N 2.99Å; I22-C24 PolarHBondContact O-N 3.26Å; C24-L26 VanDerWaalsContact C-N 3.35Å; C24-L26 PolarHBondContact O-N 3.41Å; C24-V27 PolarHBondContact O-N 2.9Å; C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.37Å; C24-L28 PolarHBondContact O-N 3.19Å
25I92.4Very high90.2Very high115 Ų11598.5 Ų98.559%0.5954%0.543SS*.Hα-helixtrans-62.7-40.8177.8-69.9162.8000111.1L21 I22 A23 G29L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.9Å; I22-I25 PolarHBondContact O-N 3.29Å; A23-I25 PolarHBondContact O-N 3.38Å; I25-G29 PolarHBondContact O-N 2.8Å
26L93.1Very high90.9Very high122 Ų12295.8 Ų95.864%0.63953%0.526SS*.Hα-helixtrans-65.7-43.1176.9-71172.7000112.4I22 A23 C24 G29 F30I22-L26 HydrophobicContact CG2-CD1 4.23Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 3Å; A23-L26 PolarHBondContact O-N 3.08Å; C24-L26 VanDerWaalsContact C-N 3.35Å; C24-L26 PolarHBondContact O-N 3.41Å; L26-G29 PolarHBondContact O-N 3.47Å; L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 PolarHBondContact O-N 3.12Å
27V93.8Very high91.3Very high100 Ų10092.3 Ų92.361%0.60651%0.514SS*.Hα-helixtrans-66.1-42.7177.3172.80000111.3A23 C24 F30 N31A23-V27 WeakPolarHBondContact O-CG2 3.44Å; A23-V27 PolarHBondContact O-N 3.47Å; C24-V27 PolarHBondContact O-N 2.9Å; V27-F30 PolarHBondContact O-N 3.06Å; V27-N31 VanDerWaalsContact O-CB 3.3Å; V27-N31 WeakPolarHBondContact O-CB 3.27Å; V27-N31 PolarHBondContact O-N 3.36Å
28L94.1Very high91.7Very high120 Ų12094.9 Ų94.963%0.62852%0.517SS*.Hα-helixtrans-66.2-40175.6-71171.9000111.8C24 N31 Y32C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.37Å; C24-L28 PolarHBondContact O-N 3.19Å; L28-N31 PolarHBondContact O-N 2.92Å; L28-Y32 VanDerWaalsContact O-CB 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.23Å; L28-Y32 PolarHBondContact O-N 3.32Å
29G94.8Very high91.8Very high39 Ų3995.9 Ų95.940%0.40252%0.52SS..Hα-helixtrans-64-42.2175.500000112.7I25 L26 W33I25-G29 PolarHBondContact O-N 2.8Å; L26-G29 PolarHBondContact O-N 3.47Å; G29-W33 VanDerWaalsContact O-CB 3.3Å; G29-W33 WeakPolarHBondContact O-CB 3.49Å; G29-W33 PolarHBondContact O-N 2.86Å
30F94.6Very high91.9Very high140 Ų14098.4 Ų98.461%0.61453%0.526SS*.Hα-helixtrans-67.4-41.5174.6-177-101.2000112.2L26 V27 W33 V34L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 PolarHBondContact O-N 3.12Å; V27-F30 PolarHBondContact O-N 3.06Å; F30-W33 PolarHBondContact O-N 3.16Å; F30-V34 HydrophobicContact CD1-CG2 4.23Å; F30-V34 HydrophobicContact CE1-CG2 3.8Å; F30-V34 HydrophobicContact CE2-CG2 4.14Å; F30-V34 HydrophobicContact CZ-CG2 3.75Å; F30-V34 WeakPolarHBondContact O-CG2 3.42Å; F30-V34 PolarHBondContact O-N 2.88Å
31N94.1Very high92Very high104 Ų104100.5 Ų100.556%0.55653%0.527SS*.Hα-helixtrans-63.4-46175.9-168.2-34.9000111V27 L28 W33 V34 S35V27-N31 VanDerWaalsContact O-CB 3.3Å; V27-N31 WeakPolarHBondContact O-CB 3.27Å; V27-N31 PolarHBondContact O-N 3.36Å; L28-N31 PolarHBondContact O-N 2.92Å; N31-W33 VanDerWaalsContact C-N 3.34Å; N31-W33 PolarHBondContact O-N 3.07Å; N31-V34 PolarHBondContact O-N 2.85Å; N31-S35 VanDerWaalsContact O-CB 3.24Å; N31-S35 WeakPolarHBondContact O-CB 3.23Å; N31-S35 PolarHBondContact O-N 2.83Å
32Y94.7Very high92.1Very high170 Ų170100.6 Ų100.667%0.66753%0.527SS*.Hα-helixtrans-59.4-42.1172.4179.3-98.6000112.2L28 S35 S36L28-Y32 VanDerWaalsContact O-CB 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.23Å; L28-Y32 PolarHBondContact O-N 3.32Å; Y32-S35 PolarHBondContact O-N 3.47Å; Y32-S36 WeakPolarHBondContact O-CB 3.38Å; Y32-S36 PolarHBondContact O-N 3.14Å
33W93.7Very high92.2Very high183 Ų183100.2 Ų100.269%0.69352%0.523SS*.Hα-helixtrans-62.4-48176.5-177.9-93.9000112.4G29 F30 N31 S35 S36 S37G29-W33 VanDerWaalsContact O-CB 3.3Å; G29-W33 WeakPolarHBondContact O-CB 3.49Å; G29-W33 PolarHBondContact O-N 2.86Å; F30-W33 PolarHBondContact O-N 3.16Å; N31-W33 VanDerWaalsContact C-N 3.34Å; N31-W33 PolarHBondContact O-N 3.07Å; W33-S35 VanDerWaalsContact C-N 3.35Å; W33-S35 PolarHBondContact O-N 3.04Å; W33-S36 PolarHBondContact O-N 2.86Å; W33-S37 VanDerWaalsContact O-CB 3.28Å; W33-S37 WeakPolarHBondContact O-CB 3.49Å; W33-S37 PolarHBondContact O-N 3.48Å
34V92.3Very high92.2Very high47 Ų47101.7 Ų101.729%0.28553%0.527SS..Hα-helixtrans-64.4-39177.2171.50000111.6F30 N31 R38F30-V34 HydrophobicContact CD1-CG2 4.23Å; F30-V34 HydrophobicContact CE1-CG2 3.8Å; F30-V34 HydrophobicContact CE2-CG2 4.14Å; F30-V34 HydrophobicContact CZ-CG2 3.75Å; F30-V34 WeakPolarHBondContact O-CG2 3.42Å; F30-V34 PolarHBondContact O-N 2.88Å; N31-V34 PolarHBondContact O-N 2.85Å; V34-R38 WeakPolarHBondContact O-CG 3.38Å; V34-R38 PolarHBondContact O-N 2.92Å
35S90.9Very high92.3Very high68 Ų68103.2 Ų103.248%0.47653%0.525SS..Hα-helixtrans-66.4-48.1175.3-173.80000111.8N31 Y32 W33 S37 R38 N39N31-S35 VanDerWaalsContact O-CB 3.24Å; N31-S35 WeakPolarHBondContact O-CB 3.23Å; N31-S35 PolarHBondContact O-N 2.83Å; Y32-S35 PolarHBondContact O-N 3.47Å; W33-S35 VanDerWaalsContact C-N 3.35Å; W33-S35 PolarHBondContact O-N 3.04Å; S35-S37 PolarHBondContact O-N 3.45Å; S35-R38 PolarHBondContact O-N 3.45Å; S35-N39 WeakPolarHBondContact O-CB 3.22Å; S35-N39 PolarHBondContact O-N 3.39Å
36S90.5Very high92.2Very high49 Ų49103.3 Ų103.334%0.34353%0.527SS..Hα-helixtrans-64.3-39.2178.3-171.20000112.2Y32 W33 R38 N39 L40Y32-S36 WeakPolarHBondContact O-CB 3.38Å; Y32-S36 PolarHBondContact O-N 3.14Å; W33-S36 PolarHBondContact O-N 2.86Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 3.05Å; S36-N39 PolarHBondContact O-N 3.33Å; S36-L40 WeakPolarHBondContact O-CB 3.46Å; S36-L40 PolarHBondContact O-N 3.21Å
37S89.5Confident92.1Very high69 Ų69105.2 Ų105.248%0.48353%0.526SS..Hα-helixtrans-61.5-40.6175.5-174.50000111.7W33 S35 E41W33-S37 VanDerWaalsContact O-CB 3.28Å; W33-S37 WeakPolarHBondContact O-CB 3.49Å; W33-S37 PolarHBondContact O-N 3.48Å; S35-S37 PolarHBondContact O-N 3.45Å; S37-E41 PolarHBondContact O-N 2.91Å; S37-E41 VanDerWaalsContact O-N 3.13Å
38R90.9Very high92Very high167 Ų167106 Ų10663%0.6352%0.523SS*.Hα-helixtrans-70.8-40175.8-73.5173172.1171.5-2.5112V34 S35 S36 L40 E41 L42V34-R38 WeakPolarHBondContact O-CG 3.38Å; V34-R38 PolarHBondContact O-N 2.92Å; S35-R38 PolarHBondContact O-N 3.45Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 3.05Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 2.91Å; R38-E41 WeakPolarHBondContact O-CB 3.33Å; R38-E41 PolarHBondContact O-N 3.49Å; R38-L42 VanDerWaalsContact O-CD1 3.3Å; R38-L42 WeakPolarHBondContact O-CD1 3.42Å; R38-L42 PolarHBondContact O-N 2.82Å
39N88.6Confident91.9Very high89 Ų89105 Ų10548%0.47652%0.518SS..Hα-helixtrans-62.1-40.8175.9-165.55.3000111.4S35 S36 L42 Q43S35-N39 WeakPolarHBondContact O-CB 3.22Å; S35-N39 PolarHBondContact O-N 3.39Å; S36-N39 PolarHBondContact O-N 3.33Å; N39-L42 PolarHBondContact O-N 2.88Å; N39-Q43 WeakPolarHBondContact O-CG 3.49Å; N39-Q43 PolarHBondContact O-N 3.31Å; N39-Q43 PolarHBondContact OD1-NE2 3.4Å
40L90Very high91.8Very high108 Ų108106.9 Ų106.957%0.56552%0.517SS*.Hα-helixtrans-65.1-37.5174.8-172.866.9000112.7S36 R38 Q43 T44S36-L40 WeakPolarHBondContact O-CB 3.46Å; S36-L40 PolarHBondContact O-N 3.21Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 2.91Å; L40-Q43 PolarHBondContact O-N 3.41Å; L40-T44 WeakPolarHBondContact O-CB 3.45Å; L40-T44 PolarHBondContact O-N 2.84Å; L40-T44 PolarHBondContact O-OG1 2.8Å
41E91.6Very high91.5Very high93 Ų93101.2 Ų101.244%0.43550%0.498SS..Hα-helixtrans-63.4-44.9173-166.4-162.7142.800111.5S37 R38 T44 K45S37-E41 PolarHBondContact O-N 2.91Å; S37-E41 VanDerWaalsContact O-N 3.13Å; R38-E41 WeakPolarHBondContact O-CB 3.33Å; R38-E41 PolarHBondContact O-N 3.49Å; E41-T44 PolarHBondContact O-N 3.08Å; E41-K45 HydrophobicContact CG-CD 4.49Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 3.28Å; E41-K45 IonicContact OE1-NZ 2.65Å; E41-K45 PolarHBondContact OE1-NZ 3.02Å
42L90.8Very high91.5Very high107 Ų107101.1 Ų101.156%0.5649%0.494SS*.Hα-helixtrans-63.9-41176.5-94.868.3000112.1R38 N39 K45 L46R38-L42 VanDerWaalsContact O-CD1 3.3Å; R38-L42 WeakPolarHBondContact O-CD1 3.42Å; R38-L42 PolarHBondContact O-N 2.82Å; N39-L42 PolarHBondContact O-N 2.88Å; L42-K45 PolarHBondContact O-N 3.46Å; L42-L46 PolarHBondContact O-N 3.36Å
43Q92.1Very high91.4Very high87 Ų8798 Ų9841%0.40749%0.492SS..Hα-helixtrans-64.5-42.8175-73.3177.816.700111.8N39 L40 K45 L46 Y47N39-Q43 WeakPolarHBondContact O-CG 3.49Å; N39-Q43 PolarHBondContact O-N 3.31Å; N39-Q43 PolarHBondContact OD1-NE2 3.4Å; L40-Q43 PolarHBondContact O-N 3.41Å; Q43-K45 VanDerWaalsContact C-N 3.34Å; Q43-K45 PolarHBondContact O-N 2.92Å; Q43-L46 PolarHBondContact O-N 3.41Å; Q43-Y47 WeakPolarHBondContact O-CD2 3.42Å; Q43-Y47 PolarHBondContact O-N 2.87Å
44T91.1Very high91.3Very high85 Ų8597.3 Ų97.352%0.52149%0.489SS..Hα-helixtrans-58.6-45.8175.1-550000111.1L40 E41 L46 Y47 E48L40-T44 WeakPolarHBondContact O-CB 3.45Å; L40-T44 PolarHBondContact O-N 2.84Å; L40-T44 PolarHBondContact O-OG1 2.8Å; E41-T44 PolarHBondContact O-N 3.08Å; T44-L46 PolarHBondContact O-N 3.5Å; T44-Y47 PolarHBondContact O-N 3.28Å; T44-E48 PolarHBondContact O-N 3.01Å
45K93.8Very high91.3Very high105 Ų105103 Ų10346%0.45751%0.506SS..Hα-helixtrans-65.2-36176.5-75.2171.6172.1173.20113.1E41 L42 Q43 E48 L49E41-K45 HydrophobicContact CG-CD 4.49Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 3.28Å; E41-K45 IonicContact OE1-NZ 2.65Å; E41-K45 PolarHBondContact OE1-NZ 3.02Å; L42-K45 PolarHBondContact O-N 3.46Å; Q43-K45 VanDerWaalsContact C-N 3.34Å; Q43-K45 PolarHBondContact O-N 2.92Å; K45-E48 PolarHBondContact O-N 3.36Å; K45-L49 WeakPolarHBondContact O-CB 3.33Å; K45-L49 WeakPolarHBondContact O-CG 3.47Å; K45-L49 PolarHBondContact O-N 2.97Å
46L91.2Very high91.3Very high118 Ų118100.8 Ų100.862%0.61849%0.494SS*.Hα-helixtrans-64-45.4172.7-88.4168.5000112.1L42 Q43 T44 E48 L49 E50L42-L46 PolarHBondContact O-N 3.36Å; Q43-L46 PolarHBondContact O-N 3.41Å; T44-L46 PolarHBondContact O-N 3.5Å; L46-E48 VanDerWaalsContact C-N 3.33Å; L46-E48 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-E50 WeakPolarHBondContact O-CB 3.29Å; L46-E50 PolarHBondContact O-N 2.84Å
47Y90.4Very high91.4Very high162 Ų162101.3 Ų101.364%0.63550%0.501SS*.Hα-helixtrans-66.2-33.9176.1-74.5-59000112.9Q43 T44 G51Q43-Y47 WeakPolarHBondContact O-CD2 3.42Å; Q43-Y47 PolarHBondContact O-N 2.87Å; T44-Y47 PolarHBondContact O-N 3.28Å; Y47-G51 PolarHBondContact O-N 3.47Å
48E92.6Very high91.5Very high116 Ų116101 Ų10154%0.54250%0.502SS..Hα-helixtrans-65.5-48.9173-170.2-178.3174.100111.4T44 K45 L46 E50 G51 Q52T44-E48 PolarHBondContact O-N 3.01Å; K45-E48 PolarHBondContact O-N 3.36Å; L46-E48 VanDerWaalsContact C-N 3.33Å; L46-E48 PolarHBondContact O-N 2.88Å; E48-E50 PolarHBondContact O-N 2.86Å; E48-G51 CarbonylContact O-C 3.58Å; E48-G51 WeakPolarHBondContact O-CA 3.32Å; E48-G51 PolarHBondContact O-N 2.98Å; E48-G51 VanDerWaalsContact O-N 3.16Å; E48-Q52 WeakPolarHBondContact O-CG 3.25Å; E48-Q52 PolarHBondContact O-N 3.25Å; E48-Q52 PolarHBondContact OE1-NE2 3.43Å
49L92.4Very high91.5Very high98 Ų9899.2 Ų99.251%0.51350%0.501SS..Hα-helixtrans-61.3-42.2176.2-78.5163.5000112.1K45 L46 G51 Q52 V53K45-L49 WeakPolarHBondContact O-CB 3.33Å; K45-L49 WeakPolarHBondContact O-CG 3.47Å; K45-L49 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 3.44Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.47Å; L49-Q52 PolarHBondContact O-N 2.83Å; L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 2.9Å
50E92.8Very high91.8Very high80 Ų80103.4 Ų103.437%0.37451%0.51SS..Hα-helixtrans-61.9-41.7173.8-164.4-164.2163.700111.1L46 E48 V53 R54L46-E50 WeakPolarHBondContact O-CB 3.29Å; L46-E50 PolarHBondContact O-N 2.84Å; E48-E50 PolarHBondContact O-N 2.86Å; E50-V53 PolarHBondContact O-N 2.68Å; E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 WeakPolarHBondContact O-CG 3.37Å; E50-R54 PolarHBondContact O-N 3.36Å; E50-R54 IonicContact OE1-CZ 2.88Å; E50-R54 IonicContact OE1-NE 3.17Å; E50-R54 PolarHBondContact OE1-NE 3.25Å; E50-R54 IonicContact OE1-NH2 2.65Å; E50-R54 PolarHBondContact OE1-NH2 2.83Å
51G88.4Confident91.9Very high21 Ų2199.7 Ų99.722%0.21650%0.498CS..Hα-helixtrans-61.4-41174.100000113.1Y47 E48 L49 R55Y47-G51 PolarHBondContact O-N 3.47Å; E48-G51 CarbonylContact O-C 3.58Å; E48-G51 WeakPolarHBondContact O-CA 3.32Å; E48-G51 PolarHBondContact O-N 2.98Å; E48-G51 VanDerWaalsContact O-N 3.16Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.47Å; G51-R55 WeakPolarHBondContact O-CG 3.3Å; G51-R55 PolarHBondContact O-N 3.44Å; G51-R55 VanDerWaalsContact O-N 3.11Å
52Q92.9Very high92Very high101 Ų10199.4 Ų99.447%0.47250%0.503SS..Hα-helixtrans-67-43.6174.6-69.417918.500111.5E48 L49 R54 R55 G56E48-Q52 WeakPolarHBondContact O-CG 3.25Å; E48-Q52 PolarHBondContact O-N 3.25Å; E48-Q52 PolarHBondContact OE1-NE2 3.43Å; L49-Q52 PolarHBondContact O-N 2.83Å; Q52-R54 PolarHBondContact O-N 3.46Å; Q52-R55 PolarHBondContact O-N 2.88Å; Q52-G56 PolarHBondContact O-N 2.76Å
53V93.6Very high92.1Very high104 Ų10497.1 Ų97.163%0.6350%0.499SS*.Hα-helixtrans-61.5-43.6175.9168.50000111.4L49 E50 R55 G56 A57L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 2.9Å; E50-V53 PolarHBondContact O-N 2.68Å; V53-R55 PolarHBondContact O-N 2.88Å; V53-G56 PolarHBondContact O-N 3.26Å; V53-A57 VanDerWaalsContact O-CB 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.39Å; V53-A57 PolarHBondContact O-N 3.39Å
54R91.6Very high92.2Very high170 Ų17098.5 Ų98.564%0.64251%0.505SS*.Hα-helixtrans-63.6-39.2176.7-72.9175.4-179.1-134.18.9112.4E50 Q52 A58E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 WeakPolarHBondContact O-CG 3.37Å; E50-R54 PolarHBondContact O-N 3.36Å; E50-R54 IonicContact OE1-CZ 2.88Å; E50-R54 IonicContact OE1-NE 3.17Å; E50-R54 PolarHBondContact OE1-NE 3.25Å; E50-R54 IonicContact OE1-NH2 2.65Å; E50-R54 PolarHBondContact OE1-NH2 2.83Å; Q52-R54 PolarHBondContact O-N 3.46Å; R54-A58 PolarHBondContact O-N 2.87Å; R54-A58 VanDerWaalsContact O-N 3.16Å
55R91.7Very high92.4Very high166 Ų166101 Ų10163%0.62651%0.513SS*.Hα-helixtrans-68-50.1174.7-70.2177-146.81638111.7G51 Q52 V53 A57 A58 E59G51-R55 WeakPolarHBondContact O-CG 3.3Å; G51-R55 PolarHBondContact O-N 3.44Å; G51-R55 VanDerWaalsContact O-N 3.11Å; Q52-R55 PolarHBondContact O-N 2.88Å; V53-R55 PolarHBondContact O-N 2.88Å; R55-A57 PolarHBondContact O-N 3.31Å; R55-A58 WeakPolarHBondContact O-CB 3.47Å; R55-A58 PolarHBondContact O-N 3.1Å; R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 2.76Å
56G91.3Very high92.5Very high22 Ų22101.7 Ų101.723%0.22752%0.516CS..Hα-helixtrans-60.8-31.6177.700000113.3Q52 V53 R60Q52-G56 PolarHBondContact O-N 2.76Å; V53-G56 PolarHBondContact O-N 3.26Å; G56-R60 VanDerWaalsContact O-CB 3.32Å; G56-R60 WeakPolarHBondContact O-CB 3.36Å; G56-R60 WeakPolarHBondContact O-CG 3.49Å; G56-R60 PolarHBondContact O-N 3.38Å
57A92.4Very high92.8Very high59 Ų59102.6 Ų102.649%0.48852%0.515SS..Hα-helixtrans-68.6-41.6171.100000112.6V53 R55 G61V53-A57 VanDerWaalsContact O-CB 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.39Å; V53-A57 PolarHBondContact O-N 3.39Å; R55-A57 PolarHBondContact O-N 3.31Å; A57-G61 PolarHBondContact O-N 2.91Å
58A91.1Very high93.1Very high62 Ų6299.1 Ų99.151%0.51251%0.507SS..Hα-helixtrans-66.8-42.5175.300000112.2R54 R55 G61 V62R54-A58 PolarHBondContact O-N 2.87Å; R54-A58 VanDerWaalsContact O-N 3.16Å; R55-A58 WeakPolarHBondContact O-CB 3.47Å; R55-A58 PolarHBondContact O-N 3.1Å; A58-G61 PolarHBondContact O-N 2.66Å; A58-V62 WeakPolarHBondContact O-CG2 3.31Å; A58-V62 PolarHBondContact O-N 3.24Å
59E91.8Very high93.3Very high131 Ų13198.8 Ų98.861%0.61251%0.506SS*.Hα-helixtrans-62.8-42.4175.9-71.8162.5-160.700111.6R55 V62 A63R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 2.76Å; E59-V62 PolarHBondContact O-N 2.91Å; E59-A63 PolarHBondContact O-N 2.96Å
60R93.2Very high93.5Very high177 Ų17799.8 Ų99.867%0.66851%0.506SS*.Hα-helixtrans-61.9-45.1171.3-76.9172.7-174.3175.62112.2G56 V62 A63 E64G56-R60 VanDerWaalsContact O-CB 3.32Å; G56-R60 WeakPolarHBondContact O-CB 3.36Å; G56-R60 WeakPolarHBondContact O-CG 3.49Å; G56-R60 PolarHBondContact O-N 3.38Å; R60-V62 VanDerWaalsContact C-N 3.29Å; R60-V62 PolarHBondContact O-N 3.37Å; R60-A63 CarbonylContact O-C 3.59Å; R60-A63 PolarHBondContact O-N 2.83Å; R60-E64 WeakPolarHBondContact O-CB 3.24Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 3.01Å
61G92.4Very high93.8Very high29 Ų29100.5 Ų100.530%0.29951%0.509SS..Hα-helixtrans-58.4-39.1176.500000113A57 A58 M65A57-G61 PolarHBondContact O-N 2.91Å; A58-G61 PolarHBondContact O-N 2.66Å; G61-M65 VanDerWaalsContact O-CG 3.25Å; G61-M65 WeakPolarHBondContact O-CG 3.32Å; G61-M65 PolarHBondContact O-N 2.93Å
62V93.4Very high94.2Very high88 Ų88102.9 Ų102.953%0.53352%0.517SS..Hα-helixtrans-68.2-39173.7173.40000111.9A58 E59 R60 K66A58-V62 WeakPolarHBondContact O-CG2 3.31Å; A58-V62 PolarHBondContact O-N 3.24Å; E59-V62 PolarHBondContact O-N 2.91Å; R60-V62 VanDerWaalsContact C-N 3.29Å; R60-V62 PolarHBondContact O-N 3.37Å; V62-K66 PolarHBondContact O-N 2.83Å; V62-K66 VanDerWaalsContact O-N 3.14Å
63A93.9Very high94.5Very high59 Ų59101.9 Ų101.949%0.48851%0.513SS..Hα-helixtrans-67.4-39.9176.100000112.6E59 R60 K66 K67E59-A63 PolarHBondContact O-N 2.96Å; R60-A63 CarbonylContact O-C 3.59Å; R60-A63 PolarHBondContact O-N 2.83Å; A63-K66 PolarHBondContact O-N 3.3Å; A63-K67 WeakPolarHBondContact O-CB 3.38Å; A63-K67 PolarHBondContact O-N 3.46Å
64E95Very high94.7Very high115 Ų115101.8 Ų101.854%0.53751%0.507SS..Hα-helixtrans-65.3-43.2175.5-74.4168.8-163.400111.5R60 K66 K67 N68R60-E64 WeakPolarHBondContact O-CB 3.24Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 3.01Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-K67 PolarHBondContact O-N 3.22Å; E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 PolarHBondContact O-N 3.39Å; E64-N68 PolarHBondContact O-ND2 2.94Å; E64-N68 PolarHBondContact O-OD1 2.88Å
65M94.5Very high95Very high137 Ų13799.2 Ų99.268%0.67550%0.503SS*.Hα-helixtrans-58.2-46.7173.2-73.9-68-171.800111.9G61 N68 E69G61-M65 VanDerWaalsContact O-CG 3.25Å; G61-M65 WeakPolarHBondContact O-CG 3.32Å; G61-M65 PolarHBondContact O-N 2.93Å; M65-N68 PolarHBondContact O-N 2.98Å; M65-E69 PolarHBondContact O-N 3.46Å
66K96.1Very high95.3Very high121 Ų12196.2 Ų96.253%0.52649%0.494SS..Hα-helixtrans-64.7-38.6176.2-73.7-174.6174.5-170.40113V62 A63 E64 N68 E69 F70V62-K66 PolarHBondContact O-N 2.83Å; V62-K66 VanDerWaalsContact O-N 3.14Å; A63-K66 PolarHBondContact O-N 3.3Å; E64-K66 PolarHBondContact O-N 3.49Å; K66-N68 VanDerWaalsContact C-N 3.33Å; K66-E69 PolarHBondContact O-N 3.31Å; K66-F70 WeakPolarHBondContact O-CD2 3.29Å; K66-F70 PolarHBondContact O-N 2.91Å
67K97Very high95.6Very high136 Ų136100.7 Ų100.759%0.59151%0.509SS*.Hα-helixtrans-60-45.5174.1-179.1-171.9171.2-1720110.8A63 E64 E69 F70 Q71A63-K67 WeakPolarHBondContact O-CB 3.38Å; A63-K67 PolarHBondContact O-N 3.46Å; E64-K67 PolarHBondContact O-N 3.22Å; K67-E69 VanDerWaalsContact C-N 3.35Å; K67-F70 PolarHBondContact O-N 3.45Å; K67-Q71 WeakPolarHBondContact O-CB 3.3Å; K67-Q71 PolarHBondContact O-N 2.95Å
68N97.1Very high95.9Very high90 Ų90102.2 Ų102.248%0.48151%0.512SS..Hα-helixtrans-65.2-39.4179-64-16.6000111.4E64 M65 K66 Q71 D72E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 PolarHBondContact O-N 3.39Å; E64-N68 PolarHBondContact O-ND2 2.94Å; E64-N68 PolarHBondContact O-OD1 2.88Å; M65-N68 PolarHBondContact O-N 2.98Å; K66-N68 VanDerWaalsContact C-N 3.33Å; N68-Q71 PolarHBondContact O-N 2.86Å; N68-D72 WeakPolarHBondContact O-CB 3.44Å; N68-D72 PolarHBondContact O-N 2.93Å
69E96.4Very high96.2Very high108 Ų108106.2 Ų106.251%0.50552%0.52SS..Hα-helixtrans-61.3-48.5174.4-175.1-178.7-178.500112.1M65 K66 K67 Q71 D72 Q73M65-E69 PolarHBondContact O-N 3.46Å; K66-E69 PolarHBondContact O-N 3.31Å; K67-E69 VanDerWaalsContact C-N 3.35Å; E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 3.34Å; E69-D72 PolarHBondContact O-N 3.4Å; E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.5Å
70F97.4Very high96.5Very high120 Ų120106 Ų10653%0.52652%0.519SS..Hα-helixtrans-64.2-36.6174.7-70.2-55.5000112.5K66 K67 Q73 I74K66-F70 WeakPolarHBondContact O-CD2 3.29Å; K66-F70 PolarHBondContact O-N 2.91Å; K67-F70 PolarHBondContact O-N 3.45Å; F70-Q73 PolarHBondContact O-N 3.27Å; F70-I74 WeakPolarHBondContact O-CB 3.48Å; F70-I74 WeakPolarHBondContact O-CD1 3.49Å; F70-I74 VanDerWaalsContact O-CG1 3.23Å; F70-I74 WeakPolarHBondContact O-CG1 3.41Å; F70-I74 PolarHBondContact O-N 3.23Å
71Q97.8Very high96.8Very high95 Ų95102.8 Ų102.844%0.44451%0.514SS..Hα-helixtrans-66.3-39.8177.4-174.8174.1-29.500112.2K67 N68 E69 I74 Q75K67-Q71 WeakPolarHBondContact O-CB 3.3Å; K67-Q71 PolarHBondContact O-N 2.95Å; N68-Q71 PolarHBondContact O-N 2.86Å; E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 3.34Å; Q71-I74 PolarHBondContact O-N 2.91Å; Q71-Q75 WeakPolarHBondContact O-CB 3.48Å; Q71-Q75 VanDerWaalsContact O-CG 3.3Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 2.93Å
72D97.9Very high97Very high70 Ų70104.4 Ų104.437%0.37452%0.521SS..Hα-helixtrans-64.5-42.4172.9164.980.8000112N68 E69 Q75 K76N68-D72 WeakPolarHBondContact O-CB 3.44Å; N68-D72 PolarHBondContact O-N 2.93Å; E69-D72 PolarHBondContact O-N 3.4Å; D72-Q75 PolarHBondContact O-N 3.21Å; D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 3.38Å; D72-K76 WeakPolarHBondContact OD1-CE 3.34Å; D72-K76 IonicContact OD1-NZ 2.65Å; D72-K76 PolarHBondContact OD1-NZ 2.84Å; D72-K76 WeakPolarHBondContact OD2-CE 3.3Å; D72-K76 IonicContact OD2-NZ 2.71Å; D72-K76 PolarHBondContact OD2-NZ 2.93Å
73Q98.1Very high97.3Very high81 Ų81106.1 Ų106.138%0.37952%0.523SS..Hα-helixtrans-62.8-42.9174-70176.726.300112.3E69 F70 K76 Q77E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.5Å; F70-Q73 PolarHBondContact O-N 3.27Å; Q73-K76 PolarHBondContact O-N 3.16Å; Q73-Q77 WeakPolarHBondContact O-CG 3.48Å; Q73-Q77 PolarHBondContact O-N 3.06Å
74I98Very high97.5Very high101 Ų101107 Ų10752%0.51852%0.518SS..Hα-helixtrans-64.1-42.8175.6-70.5163.9000110.8F70 Q71 K76 Q77 V78F70-I74 WeakPolarHBondContact O-CB 3.48Å; F70-I74 WeakPolarHBondContact O-CD1 3.49Å; F70-I74 VanDerWaalsContact O-CG1 3.23Å; F70-I74 WeakPolarHBondContact O-CG1 3.41Å; F70-I74 PolarHBondContact O-N 3.23Å; Q71-I74 PolarHBondContact O-N 2.91Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.98Å; I74-Q77 PolarHBondContact O-N 3.32Å; I74-V78 HydrophobicContact CG2-CG2 4.42Å; I74-V78 WeakPolarHBondContact O-CG2 3.36Å; I74-V78 PolarHBondContact O-N 2.85Å
75Q98Very high97.6Very high117 Ų117105.7 Ų105.755%0.54751%0.512SS..Hα-helixtrans-61.3-41.5177.1-78.2178.1-16.300112Q71 D72 V78 E79Q71-Q75 WeakPolarHBondContact O-CB 3.48Å; Q71-Q75 VanDerWaalsContact O-CG 3.3Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 2.93Å; D72-Q75 PolarHBondContact O-N 3.21Å; Q75-V78 PolarHBondContact O-N 3.38Å; Q75-E79 PolarHBondContact O-N 3.35Å
76K98.2Very high97.8Very high103 Ų103100.6 Ų100.645%0.44849%0.49SS..Hα-helixtrans-62.6-45.5174.4-73.4163.5-177.7164.80112.4D72 Q73 I74 V78 E79 E80D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 3.38Å; D72-K76 WeakPolarHBondContact OD1-CE 3.34Å; D72-K76 IonicContact OD1-NZ 2.65Å; D72-K76 PolarHBondContact OD1-NZ 2.84Å; D72-K76 WeakPolarHBondContact OD2-CE 3.3Å; D72-K76 IonicContact OD2-NZ 2.71Å; D72-K76 PolarHBondContact OD2-NZ 2.93Å; Q73-K76 PolarHBondContact O-N 3.16Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.98Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 2.85Å; K76-E79 PolarHBondContact O-N 3.32Å; K76-E80 WeakPolarHBondContact O-CG 3.44Å; K76-E80 PolarHBondContact O-N 3.26Å
77Q98Very high97.9Very high116 Ų11698.9 Ų98.954%0.54249%0.486SS..Hα-helixtrans-62.2-39.3175.6-72.2-179.34.100112.2Q73 I74 E80 I81Q73-Q77 WeakPolarHBondContact O-CG 3.48Å; Q73-Q77 PolarHBondContact O-N 3.06Å; I74-Q77 PolarHBondContact O-N 3.32Å; Q77-E80 PolarHBondContact O-N 2.88Å; Q77-I81 WeakPolarHBondContact O-CB 3.39Å; Q77-I81 WeakPolarHBondContact O-CD1 3.44Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 3.4Å
78V98.3Very high98Very high90 Ų90100.4 Ų100.455%0.54549%0.488SS..Hα-helixtrans-65.1-39.4174.9169.70000111.6I74 Q75 K76 S82I74-V78 HydrophobicContact CG2-CG2 4.42Å; I74-V78 WeakPolarHBondContact O-CG2 3.36Å; I74-V78 PolarHBondContact O-N 2.85Å; Q75-V78 PolarHBondContact O-N 3.38Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 2.85Å; V78-S82 WeakPolarHBondContact O-CB 3.41Å; V78-S82 PolarHBondContact O-N 2.73Å
79E98.3Very high98Very high146 Ų146101.9 Ų101.968%0.68249%0.487SS*.Hα-helixtrans-67.5-42.7175.3-172.3168.9-16000112.1Q75 K76 S82 H83Q75-E79 PolarHBondContact O-N 3.35Å; K76-E79 PolarHBondContact O-N 3.32Å; E79-S82 PolarHBondContact O-N 2.9Å; E79-H83 WeakPolarHBondContact O-CB 3.43Å; E79-H83 PolarHBondContact O-N 3.5Å
80E98.3Very high98.1Very high126 Ų126102.8 Ų102.859%0.58949%0.489SS*.Hα-helixtrans-62.1-46.5174.2-74.3177.7-177.800112.1K76 Q77 H83 I84K76-E80 WeakPolarHBondContact O-CG 3.44Å; K76-E80 PolarHBondContact O-N 3.26Å; Q77-E80 PolarHBondContact O-N 2.88Å; E80-H83 PolarHBondContact O-N 3.31Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.43Å; E80-I84 PolarHBondContact O-N 2.98Å
81I98Very high98.1Very high111 Ų111102.7 Ų102.757%0.56949%0.491SS*.Hα-helixtrans-60.8-47.1175.8-71165000110.2Q77 H83 I84 E85Q77-I81 WeakPolarHBondContact O-CB 3.39Å; Q77-I81 WeakPolarHBondContact O-CD1 3.44Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 3.4Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 PolarHBondContact O-N 3.31Å; I81-I84 PolarHBondContact O-N 2.78Å; I81-E85 VanDerWaalsContact O-CB 3.27Å; I81-E85 WeakPolarHBondContact O-CB 3.4Å; I81-E85 PolarHBondContact O-N 2.62Å
82S98.4Very high98.1Very high63 Ų63103.7 Ų103.744%0.44150%0.498SS..Hα-helixtrans-60.7-40176.9-1780000112.1V78 E79 E85 S86V78-S82 WeakPolarHBondContact O-CB 3.41Å; V78-S82 PolarHBondContact O-N 2.73Å; E79-S82 PolarHBondContact O-N 2.9Å; S82-E85 PolarHBondContact O-N 2.74Å; S82-S86 WeakPolarHBondContact O-CB 3.36Å; S82-S86 PolarHBondContact O-N 3.32Å
83H98.4Very high98.1Very high124 Ų124105.2 Ų105.257%0.57451%0.506SS*.Hα-helixtrans-62.5-51.4175.3-175.185.4000111.5E79 E80 I81 E85 S86 L87E79-H83 WeakPolarHBondContact O-CB 3.43Å; E79-H83 PolarHBondContact O-N 3.5Å; E80-H83 PolarHBondContact O-N 3.31Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 PolarHBondContact O-N 3.31Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-E85 PolarHBondContact O-N 3.06Å; H83-S86 PolarHBondContact O-N 3.4Å; H83-S86 PolarHBondContact O-OG 3.43Å; H83-L87 PolarHBondContact O-N 2.86Å
84I98.2Very high98.1Very high76 Ų76104.5 Ų104.539%0.3951%0.508SS..Hα-helixtrans-60.4-42.6178.2-67.6165.1000111E80 I81 L87 R88E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.43Å; E80-I84 PolarHBondContact O-N 2.98Å; I81-I84 PolarHBondContact O-N 2.78Å; I84-L87 PolarHBondContact O-N 3.04Å; I84-R88 WeakPolarHBondContact O-CG 3.49Å; I84-R88 PolarHBondContact O-N 3.5Å
85E97.9Very high98.1Very high88 Ų88106.7 Ų106.741%0.41151%0.511SS..Hα-helixtrans-65.4-40.3176.7-161.9-160.3-174.300111.5I81 S82 H83 L87 R88 R89I81-E85 VanDerWaalsContact O-CB 3.27Å; I81-E85 WeakPolarHBondContact O-CB 3.4Å; I81-E85 PolarHBondContact O-N 2.62Å; S82-E85 PolarHBondContact O-N 2.74Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-E85 PolarHBondContact O-N 3.06Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 2.86Å; E85-R88 PolarHBondContact O-N 3.15Å; E85-R89 VanDerWaalsContact CD-CZ 3.41Å; E85-R89 PolarHBondContact O-N 3.5Å; E85-R89 IonicContact OE1-CZ 3.4Å; E85-R89 IonicContact OE1-NH1 3.32Å; E85-R89 PolarHBondContact OE1-NH1 2.92Å; E85-R89 IonicContact OE1-NH2 2.69Å; E85-R89 IonicContact OE2-CZ 2.73Å; E85-R89 IonicContact OE2-NH1 3.61Å; E85-R89 PolarHBondContact OE2-NH1 3.21Å; E85-R89 IonicContact OE2-NH2 3.52Å; E85-R89 PolarHBondContact OE2-NH2 2.77Å
86S98.2Very high98.1Very high30 Ų30104.6 Ų104.621%0.2151%0.509CS..Hα-helixtrans-64-34.5174.5890000112.6S82 H83 K90S82-S86 WeakPolarHBondContact O-CB 3.36Å; S82-S86 PolarHBondContact O-N 3.32Å; H83-S86 PolarHBondContact O-N 3.4Å; H83-S86 PolarHBondContact O-OG 3.43Å; S86-K90 WeakPolarHBondContact O-CD 3.49Å; S86-K90 VanDerWaalsContact O-CG 3.25Å; S86-K90 WeakPolarHBondContact O-CG 3.16Å; S86-K90 PolarHBondContact O-N 2.89Å; S86-K90 VanDerWaalsContact O-N 3.12Å
87L98.3Very high98.1Very high85 Ų85106.5 Ų106.545%0.44552%0.52SS..Hα-helixtrans-70.5-44.8176.3-176.264.8000110.8H83 I84 E85 K90 Q91H83-L87 PolarHBondContact O-N 2.86Å; I84-L87 PolarHBondContact O-N 3.04Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 2.86Å; L87-K90 PolarHBondContact O-N 3.42Å; L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 2.92Å
88R98.2Very high98.1Very high169 Ų169106.8 Ų106.864%0.63852%0.521SS*.Hα-helixtrans-60.9-42.9174.7-72.7175.9-177.31500.8112.2I84 E85 Q91 L92I84-R88 WeakPolarHBondContact O-CG 3.49Å; I84-R88 PolarHBondContact O-N 3.5Å; E85-R88 PolarHBondContact O-N 3.15Å; R88-Q91 PolarHBondContact O-N 3.41Å; R88-L92 WeakPolarHBondContact O-CB 3.38Å; R88-L92 PolarHBondContact O-N 2.89Å
89R98.3Very high98.1Very high120 Ų120108.3 Ų108.345%0.45352%0.52SS..Hα-helixtrans-56.9-54.5173.1-83.9-169.6-82.1-96.5-4.5111.2E85 Q91 L92 D93E85-R89 VanDerWaalsContact CD-CZ 3.41Å; E85-R89 PolarHBondContact O-N 3.5Å; E85-R89 IonicContact OE1-CZ 3.4Å; E85-R89 IonicContact OE1-NH1 3.32Å; E85-R89 PolarHBondContact OE1-NH1 2.92Å; E85-R89 IonicContact OE1-NH2 2.69Å; E85-R89 IonicContact OE2-CZ 2.73Å; E85-R89 IonicContact OE2-NH1 3.61Å; E85-R89 PolarHBondContact OE2-NH1 3.21Å; E85-R89 IonicContact OE2-NH2 3.52Å; E85-R89 PolarHBondContact OE2-NH2 2.77Å; R89-Q91 VanDerWaalsContact C-N 3.29Å; R89-Q91 PolarHBondContact O-N 3.47Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.17Å; R89-D93 PolarHBondContact O-N 2.89Å; R89-D93 VanDerWaalsContact O-OD2 3.13Å
90K98.1Very high98.1Very high127 Ų127104 Ų10455%0.55251%0.51SS*.Hα-helixtrans-56.3-40.2177.7-70.4162.3-173.7160.90112.8S86 L87 D93 T94S86-K90 WeakPolarHBondContact O-CD 3.49Å; S86-K90 VanDerWaalsContact O-CG 3.25Å; S86-K90 WeakPolarHBondContact O-CG 3.16Å; S86-K90 PolarHBondContact O-N 2.89Å; S86-K90 VanDerWaalsContact O-N 3.12Å; L87-K90 PolarHBondContact O-N 3.42Å; K90-D93 PolarHBondContact O-N 3.47Å; K90-T94 WeakPolarHBondContact O-CB 3.24Å; K90-T94 PolarHBondContact O-N 3.26Å; K90-T94 PolarHBondContact O-OG1 2.92Å
91Q97.6Very high98.1Very high118 Ų118104.5 Ų104.555%0.55151%0.51SS*.Hα-helixtrans-65.3-41.2175.6-75.3175.7-21.300112.4L87 R88 R89 T94 Y95L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 2.92Å; R88-Q91 PolarHBondContact O-N 3.41Å; R89-Q91 VanDerWaalsContact C-N 3.29Å; R89-Q91 PolarHBondContact O-N 3.47Å; Q91-T94 PolarHBondContact O-N 3.31Å; Q91-Y95 WeakPolarHBondContact O-CB 3.33Å; Q91-Y95 PolarHBondContact O-N 2.88Å
92L98Very high98.1Very high116 Ų116104.1 Ų104.161%0.60751%0.509SS*.Hα-helixtrans-66.3-41.5175.9-175.864.1000111.6R88 R89 Y95 S96R88-L92 WeakPolarHBondContact O-CB 3.38Å; R88-L92 PolarHBondContact O-N 2.89Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.17Å; L92-Y95 PolarHBondContact O-N 3.28Å; L92-S96 VanDerWaalsContact O-CB 3.28Å; L92-S96 WeakPolarHBondContact O-CB 3.32Å; L92-S96 PolarHBondContact O-N 3.24Å
93D97.6Very high98.1Very high102 Ų102106.9 Ų106.955%0.54551%0.514SS..Hα-helixtrans-61.6-47175.1-62-36.3000111R89 K90 S96 Q97R89-D93 PolarHBondContact O-N 2.89Å; R89-D93 VanDerWaalsContact O-OD2 3.13Å; K90-D93 PolarHBondContact O-N 3.47Å; D93-S96 PolarHBondContact O-N 3.15Å; D93-Q97 WeakPolarHBondContact O-CB 3.46Å; D93-Q97 PolarHBondContact O-N 3.42Å
94T97.9Very high98.1Very high67 Ų67107.6 Ų107.641%0.41152%0.518SS..Hα-helixtrans-60.4-48.5174.7-61.40000111.4K90 Q91 S96 Q97 E98K90-T94 WeakPolarHBondContact O-CB 3.24Å; K90-T94 PolarHBondContact O-N 3.26Å; K90-T94 PolarHBondContact O-OG1 2.92Å; Q91-T94 PolarHBondContact O-N 3.31Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.87Å; T94-Q97 PolarHBondContact O-N 2.92Å; T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 WeakPolarHBondContact O-CB 3.22Å; T94-E98 WeakPolarHBondContact O-CG 3.43Å; T94-E98 PolarHBondContact O-N 3.12Å
95Y97.9Very high98.1Very high146 Ų146108 Ų10857%0.57352%0.521SS*.Hα-helixtrans-61.7-39.1178.2176-101.5000112.3Q91 L92 E98 K99Q91-Y95 WeakPolarHBondContact O-CB 3.33Å; Q91-Y95 PolarHBondContact O-N 2.88Å; L92-Y95 PolarHBondContact O-N 3.28Å; Y95-E98 PolarHBondContact O-N 2.93Å; Y95-K99 VanDerWaalsContact O-CB 3.25Å; Y95-K99 WeakPolarHBondContact O-CB 3.37Å; Y95-K99 PolarHBondContact O-N 3.36Å
96S97.9Very high98.1Very high73 Ų73108.3 Ų108.351%0.5152%0.524SS..Hα-helixtrans-62.8-44.8174.5-170.30000111.6L92 D93 T94 K99 A100L92-S96 VanDerWaalsContact O-CB 3.28Å; L92-S96 WeakPolarHBondContact O-CB 3.32Å; L92-S96 PolarHBondContact O-N 3.24Å; D93-S96 PolarHBondContact O-N 3.15Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.87Å; S96-K99 PolarHBondContact O-N 2.86Å; S96-A100 WeakPolarHBondContact O-CB 3.2Å; S96-A100 PolarHBondContact O-N 3.34Å
97Q98.2Very high98.1Very high144 Ų144109.7 Ų109.767%0.67353%0.534SS*.Hα-helixtrans-64.1-42.6175.9-170.8-178.327.100112.3D93 T94 A100 K101D93-Q97 WeakPolarHBondContact O-CB 3.46Å; D93-Q97 PolarHBondContact O-N 3.42Å; T94-Q97 PolarHBondContact O-N 2.92Å; Q97-A100 PolarHBondContact O-N 2.86Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 2.81Å
98E97.9Very high98.1Very high122 Ų122108.6 Ų108.657%0.5753%0.534SS*.Hα-helixtrans-65.7-42.2176.5-74.4-174.9162.500111.8T94 Y95 K101 L102T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 WeakPolarHBondContact O-CB 3.22Å; T94-E98 WeakPolarHBondContact O-CG 3.43Å; T94-E98 PolarHBondContact O-N 3.12Å; Y95-E98 PolarHBondContact O-N 2.93Å; E98-K101 PolarHBondContact O-N 2.83Å; E98-L102 VanDerWaalsContact O-CB 3.29Å; E98-L102 WeakPolarHBondContact O-CB 3.34Å; E98-L102 PolarHBondContact O-N 3.3Å
99K98.3Very high98Very high121 Ų121103.4 Ų103.453%0.52652%0.523SS..Hα-helixtrans-60.1-46.5173.4-179.1-179.4176-177.30111.5Y95 S96 L102 Q103Y95-K99 VanDerWaalsContact O-CB 3.25Å; Y95-K99 WeakPolarHBondContact O-CB 3.37Å; Y95-K99 PolarHBondContact O-N 3.36Å; S96-K99 PolarHBondContact O-N 2.86Å; K99-L102 PolarHBondContact O-N 3.4Å; K99-Q103 WeakPolarHBondContact O-CB 3.44Å; K99-Q103 PolarHBondContact O-N 3.43Å
100A98.1Very high98Very high56 Ų56100.7 Ų100.746%0.46352%0.52SS..Hα-helixtrans-62.6-43.3177.400000112S96 Q97 Q103 Q104S96-A100 WeakPolarHBondContact O-CB 3.2Å; S96-A100 PolarHBondContact O-N 3.34Å; Q97-A100 PolarHBondContact O-N 2.86Å; A100-Q103 PolarHBondContact O-N 3.34Å; A100-Q104 WeakPolarHBondContact O-CB 3.32Å; A100-Q104 PolarHBondContact O-N 2.92Å
101K98.3Very high98Very high136 Ų136101.7 Ų101.759%0.59152%0.524SS*.Hα-helixtrans-64.5-40.6175.4-176.5-179.1178.3-175.50112.3Q97 E98 Q104 N105Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 2.81Å; E98-K101 PolarHBondContact O-N 2.83Å; K101-Q104 PolarHBondContact O-N 3.4Å; K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 3.4Å
102L98.3Very high98Very high104 Ų10499.5 Ų99.555%0.54552%0.519SS..Hα-helixtrans-66-43.3175.7179.959.6000111.2E98 K99 N105 I106E98-L102 VanDerWaalsContact O-CB 3.29Å; E98-L102 WeakPolarHBondContact O-CB 3.34Å; E98-L102 PolarHBondContact O-N 3.3Å; K99-L102 PolarHBondContact O-N 3.4Å; L102-N105 WeakPolarHBondContact O-CB 3.43Å; L102-N105 PolarHBondContact O-N 2.9Å; L102-I106 HydrophobicContact CD1-CD1 4.19Å; L102-I106 HydrophobicContact CD1-CG1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.49Å
103Q98Very high98Very high121 Ų12198.7 Ų98.757%0.56551%0.514SS*.Hα-helixtrans-61.3-44.9174.6-176.2174.6-11.300111.4K99 A100 N105 I106 S107K99-Q103 WeakPolarHBondContact O-CB 3.44Å; K99-Q103 PolarHBondContact O-N 3.43Å; A100-Q103 PolarHBondContact O-N 3.34Å; Q103-N105 PolarHBondContact O-N 2.84Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q103-S107 PolarHBondContact O-N 2.85Å; Q103-S107 PolarHBondContact O-OG 3.2Å
104Q98Very high98.1Very high138 Ų13899.6 Ų99.665%0.64552%0.515SS*.Hα-helixtrans-59.2-45.1173.5-176.3-177.34.900111.8A100 K101 S107 S108A100-Q104 WeakPolarHBondContact O-CB 3.32Å; A100-Q104 PolarHBondContact O-N 2.92Å; K101-Q104 PolarHBondContact O-N 3.4Å; Q104-S107 PolarHBondContact O-N 3.35Å; Q104-S108 WeakPolarHBondContact O-CB 3.28Å; Q104-S108 PolarHBondContact O-N 2.85Å; Q104-S108 PolarHBondContact O-OG 2.99Å
105N98.3Very high98.1Very high84 Ų84102.1 Ų102.145%0.44952%0.523SS..Hα-helixtrans-60.4-47.7176.1-74.6-13.4000111.3K101 L102 Q103 S108 S109K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 3.4Å; L102-N105 WeakPolarHBondContact O-CB 3.43Å; L102-N105 PolarHBondContact O-N 2.9Å; Q103-N105 PolarHBondContact O-N 2.84Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-S108 PolarHBondContact O-OG 2.69Å; N105-S109 WeakPolarHBondContact O-CB 3.41Å; N105-S109 PolarHBondContact O-N 3.32Å
106I98.1Very high98.1Very high95 Ų95100.2 Ų100.249%0.48752%0.521SS..Hα-helixtrans-57.5-52176-69.5164.1000110.3L102 Q103 S108 S109 T110L102-I106 HydrophobicContact CD1-CD1 4.19Å; L102-I106 HydrophobicContact CD1-CG1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.49Å; Q103-I106 PolarHBondContact O-N 3.3Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.48Å; I106-S109 WeakPolarHBondContact O-CB 3.34Å; I106-S109 PolarHBondContact O-N 2.71Å; I106-S109 VanDerWaalsContact O-N 3.12Å; I106-T110 PolarHBondContact O-N 2.86Å; I106-T110 PolarHBondContact O-OG1 3.44Å
107S98.1Very high98.1Very high60 Ų60103.3 Ų103.342%0.4253%0.526SS..Hα-helixtrans-61.5-32.6179-61.70000113.4Q103 Q104 K111Q103-S107 PolarHBondContact O-N 2.85Å; Q103-S107 PolarHBondContact O-OG 3.2Å; Q104-S107 PolarHBondContact O-N 3.35Å; S107-K111 WeakPolarHBondContact O-CG 3.42Å; S107-K111 PolarHBondContact O-N 2.9Å
108S98.1Very high98.1Very high62 Ų6298.2 Ų98.243%0.43451%0.512SS..Hα-helixtrans-71.3-42.2173.373.20000112.1Q104 N105 I106 K111 T112Q104-S108 WeakPolarHBondContact O-CB 3.28Å; Q104-S108 PolarHBondContact O-N 2.85Å; Q104-S108 PolarHBondContact O-OG 2.99Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-S108 PolarHBondContact O-OG 2.69Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.48Å; S108-K111 PolarHBondContact O-N 3.02Å; S108-T112 PolarHBondContact O-N 2.93Å
109S97.8Very high98.1Very high59 Ų5996.9 Ų96.941%0.41351%0.506SS..Hα-helixtrans-60.7-50.2176.1-1710000111.2N105 I106 K111 T112 I113N105-S109 WeakPolarHBondContact O-CB 3.41Å; N105-S109 PolarHBondContact O-N 3.32Å; I106-S109 WeakPolarHBondContact O-CB 3.34Å; I106-S109 PolarHBondContact O-N 2.71Å; I106-S109 VanDerWaalsContact O-N 3.12Å; S109-K111 VanDerWaalsContact C-N 3.31Å; S109-K111 PolarHBondContact O-N 2.94Å; S109-T112 PolarHBondContact O-N 3.25Å; S109-T112 PolarHBondContact O-OG1 2.93Å; S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 3.34Å
110T98.2Very high98.1Very high63 Ų6396.4 Ų96.439%0.38751%0.508SS..Hα-helixtrans-53.4-46.6175.6-58.80000111.7I106 T112 I113 E114I106-T110 PolarHBondContact O-N 2.86Å; I106-T110 PolarHBondContact O-OG1 3.44Å; T110-T112 PolarHBondContact O-N 3.34Å; T110-I113 PolarHBondContact O-N 2.82Å; T110-I113 VanDerWaalsContact O-N 3.15Å; T110-E114 HydrophobicContact CG2-CG 4.48Å; T110-E114 WeakPolarHBondContact O-CG 3.29Å; T110-E114 PolarHBondContact O-N 3.2Å
111K98Very high98.1Very high149 Ų14997.5 Ų97.565%0.64851%0.507SS*.Hα-helixtrans-60.6-42.2176.2-73.6175.7-179-174.90112.8S107 S108 S109 I113 E114 E115S107-K111 WeakPolarHBondContact O-CG 3.42Å; S107-K111 PolarHBondContact O-N 2.9Å; S108-K111 PolarHBondContact O-N 3.02Å; S109-K111 VanDerWaalsContact C-N 3.31Å; S109-K111 PolarHBondContact O-N 2.94Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.97Å; K111-E114 PolarHBondContact O-N 3.45Å; K111-E115 WeakPolarHBondContact O-CB 3.25Å; K111-E115 PolarHBondContact O-N 3.28Å
112T97.8Very high98.1Very high72 Ų7295.8 Ų95.844%0.44250%0.501SS..Hα-helixtrans-67.6-33.2175.659.70000112.8S108 S109 T110 L116S108-T112 PolarHBondContact O-N 2.93Å; S109-T112 PolarHBondContact O-N 3.25Å; S109-T112 PolarHBondContact O-OG1 2.93Å; T110-T112 PolarHBondContact O-N 3.34Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 WeakPolarHBondContact O-CD1 3.45Å; T112-L116 WeakPolarHBondContact O-CG 3.25Å; T112-L116 PolarHBondContact O-N 3.32Å
113I98.1Very high98.1Very high99 Ų9996.2 Ų96.251%0.50850%0.502SS..Hα-helixtrans-69.5-40.5175.4-67.7163.3000110.6S109 T110 K111 L116 K117S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 3.34Å; T110-I113 PolarHBondContact O-N 2.82Å; T110-I113 VanDerWaalsContact O-N 3.15Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.97Å; I113-L116 PolarHBondContact O-N 2.83Å; I113-K117 WeakPolarHBondContact O-CB 3.28Å; I113-K117 PolarHBondContact O-N 3.42Å
114E98.2Very high98.1Very high120 Ų12095.7 Ų95.756%0.56150%0.503SS*.Hα-helixtrans-63.6-43.5173.4-73.8169.5175.900111.9T110 K111 K117 G118T110-E114 HydrophobicContact CG2-CG 4.48Å; T110-E114 WeakPolarHBondContact O-CG 3.29Å; T110-E114 PolarHBondContact O-N 3.2Å; K111-E114 PolarHBondContact O-N 3.45Å; E114-K117 PolarHBondContact O-N 3.43Å; E114-G118 PolarHBondContact O-N 3.29Å
115E98.3Very high98.1Very high121 Ų12193.7 Ų93.757%0.56550%0.496SS*.Hα-helixtrans-62.1-49.1174.8-169.7-174.8166.200111.4K111 K117 G118 Q119K111-E115 WeakPolarHBondContact O-CB 3.25Å; K111-E115 PolarHBondContact O-N 3.28Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.85Å; E115-G118 CarbonylContact O-C 3.59Å; E115-G118 WeakPolarHBondContact O-CA 3.45Å; E115-G118 PolarHBondContact O-N 3.36Å; E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 3.49Å; E115-Q119 PolarHBondContact OE1-NE2 2.91Å; E115-Q119 VanDerWaalsContact OE1-NE2 3.16Å
116L98.3Very high98.1Very high105 Ų10592.9 Ų92.955%0.5549%0.492SS..Hα-helixtrans-60.8-38.8176.7-75.3166.4000112.2T112 I113 G118 Q119 L120T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 WeakPolarHBondContact O-CD1 3.45Å; T112-L116 WeakPolarHBondContact O-CG 3.25Å; T112-L116 PolarHBondContact O-N 3.32Å; I113-L116 PolarHBondContact O-N 2.83Å; L116-G118 VanDerWaalsContact C-N 3.34Å; L116-Q119 PolarHBondContact O-N 3.25Å; L116-L120 WeakPolarHBondContact O-CB 3.36Å; L116-L120 PolarHBondContact O-N 2.79Å
117K98.2Very high98Very high138 Ų13893.5 Ų93.560%0.650%0.495SS*.Hα-helixtrans-64-38.9172.8-176.6-179.7-180-177.40111.4I113 E114 E115 N121I113-K117 WeakPolarHBondContact O-CB 3.28Å; I113-K117 PolarHBondContact O-N 3.42Å; E114-K117 PolarHBondContact O-N 3.43Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.85Å; K117-N121 WeakPolarHBondContact O-CB 3.27Å; K117-N121 VanDerWaalsContact O-CG 3.23Å; K117-N121 PolarHBondContact O-N 2.83Å; K117-N121 PolarHBondContact O-ND2 3.39Å
118G98.2Very high98Very high38 Ų3891.8 Ų91.839%0.39249%0.487SS..Hα-helixtrans-61.3-48.6171.400000112.5E114 E115 L116 N121 Q122E114-G118 PolarHBondContact O-N 3.29Å; E115-G118 CarbonylContact O-C 3.59Å; E115-G118 WeakPolarHBondContact O-CA 3.45Å; E115-G118 PolarHBondContact O-N 3.36Å; L116-G118 VanDerWaalsContact C-N 3.34Å; G118-N121 PolarHBondContact O-N 2.96Å; G118-Q122 PolarHBondContact O-N 2.93Å
119Q98.3Very high98Very high93 Ų9394.2 Ų94.244%0.43549%0.49SS..Hα-helixtrans-62.1-42.3176.7-66.4177.716.200111.9E115 L116 Q122 M123E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 3.49Å; E115-Q119 PolarHBondContact OE1-NE2 2.91Å; E115-Q119 VanDerWaalsContact OE1-NE2 3.16Å; L116-Q119 PolarHBondContact O-N 3.25Å; Q119-Q122 PolarHBondContact O-N 3.21Å; Q119-M123 WeakPolarHBondContact O-CG 3.43Å; Q119-M123 PolarHBondContact O-N 2.94Å
120L98.2Very high98Very high111 Ų11196.6 Ų96.658%0.58150%0.498SS*.Hα-helixtrans-59.7-47.9174.7-170.795.5000111.5L116 Q122 M123 N124L116-L120 WeakPolarHBondContact O-CB 3.36Å; L116-L120 PolarHBondContact O-N 2.79Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 3.33Å; L120-M123 PolarHBondContact O-N 2.87Å; L120-N124 WeakPolarHBondContact O-CB 3.33Å; L120-N124 PolarHBondContact O-N 2.87Å
121N98Very high98Very high80 Ų80100.1 Ų100.143%0.42851%0.51SS..Hα-helixtrans-63-38.5177.4-74.8-24.3000112K117 G118 N124 N125K117-N121 WeakPolarHBondContact O-CB 3.27Å; K117-N121 VanDerWaalsContact O-CG 3.23Å; K117-N121 PolarHBondContact O-N 2.83Å; K117-N121 PolarHBondContact O-ND2 3.39Å; G118-N121 PolarHBondContact O-N 2.96Å; N121-N124 PolarHBondContact O-N 2.88Å; N121-N125 WeakPolarHBondContact O-CB 3.35Å; N121-N125 PolarHBondContact O-N 3.35Å; N121-N125 PolarHBondContact O-ND2 3Å
122Q98.2Very high98Very high99 Ų99100.2 Ų100.246%0.46351%0.51SS..Hα-helixtrans-63.4-49.6174.7-178.659.936.400111.4G118 Q119 L120 N124 N125 D126G118-Q122 PolarHBondContact O-N 2.93Å; Q119-Q122 PolarHBondContact O-N 3.21Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 3.33Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-N124 PolarHBondContact O-N 3.43Å; Q122-N125 WeakPolarHBondContact O-CB 3.17Å; Q122-N125 PolarHBondContact O-N 2.92Å; Q122-D126 PolarHBondContact NE2-OD1 2.88Å; Q122-D126 PolarHBondContact NE2-OD2 3.45Å; Q122-D126 PolarHBondContact O-N 3.41Å
123M97.7Very high98Very high114 Ų114102.3 Ų102.356%0.56252%0.515SS*.Hα-helixtrans-59.9-41.6176.6-71.7-170.8-71.800112.2Q119 L120 D126 L127Q119-M123 WeakPolarHBondContact O-CG 3.43Å; Q119-M123 PolarHBondContact O-N 2.94Å; L120-M123 PolarHBondContact O-N 2.87Å; M123-D126 PolarHBondContact O-N 2.92Å; M123-L127 WeakPolarHBondContact O-CB 3.41Å; M123-L127 WeakPolarHBondContact O-CG 3.37Å; M123-L127 PolarHBondContact O-N 3.06Å
124N97.8Very high98Very high110 Ų110103.2 Ų103.259%0.58852%0.52SS*.Hα-helixtrans-63.5-41.2176.7-172.447.8000112L120 N121 Q122 G128L120-N124 WeakPolarHBondContact O-CB 3.33Å; L120-N124 PolarHBondContact O-N 2.87Å; N121-N124 PolarHBondContact O-N 2.88Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-N124 PolarHBondContact O-N 3.43Å; N124-G128 PolarHBondContact O-N 2.91Å
125N98Very high97.9Very high96 Ų96103.7 Ų103.751%0.51352%0.522SS..Hα-helixtrans-62.9-41173.6-81.2-53000112.3N121 Q122 G128 K129N121-N125 WeakPolarHBondContact O-CB 3.35Å; N121-N125 PolarHBondContact O-N 3.35Å; N121-N125 PolarHBondContact O-ND2 3Å; Q122-N125 WeakPolarHBondContact O-CB 3.17Å; Q122-N125 PolarHBondContact O-N 2.92Å; N125-G128 PolarHBondContact O-N 3.3Å; N125-K129 WeakPolarHBondContact O-CG 3.49Å; N125-K129 PolarHBondContact O-N 3.45Å
126D98Very high97.9Very high66 Ų66106.3 Ų106.335%0.35353%0.527SS..Hα-helixtrans-73.9-36.2-179.8-70-29.2000112.6Q122 M123 G128 K129 L130Q122-D126 PolarHBondContact NE2-OD1 2.88Å; Q122-D126 PolarHBondContact NE2-OD2 3.45Å; Q122-D126 PolarHBondContact O-N 3.41Å; M123-D126 PolarHBondContact O-N 2.92Å; D126-G128 VanDerWaalsContact C-N 3.32Å; D126-G128 PolarHBondContact O-N 3.38Å; D126-K129 WeakPolarHBondContact O-CB 3.27Å; D126-K129 PolarHBondContact O-N 3.32Å; D126-K129 WeakPolarHBondContact OD1-CD 3.38Å; D126-K129 WeakPolarHBondContact OD1-CE 3.34Å; D126-K129 IonicContact OD1-NZ 2.66Å; D126-K129 PolarHBondContact OD1-NZ 3.39Å; D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 PolarHBondContact O-N 3.03Å
127L97.6Very high97.8Very high108 Ų108104.8 Ų104.857%0.56552%0.524SS*.Hα-helixtrans-59.4-43.5166.3-73.3170.7000111.2M123 K129 L130 Q131M123-L127 WeakPolarHBondContact O-CB 3.41Å; M123-L127 WeakPolarHBondContact O-CG 3.37Å; M123-L127 PolarHBondContact O-N 3.06Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-Q131 WeakPolarHBondContact O-CB 3.41Å; L127-Q131 PolarHBondContact O-N 3.45Å
128G97.9Very high97.7Very high24 Ų24104.6 Ų104.625%0.24753%0.526CS..Hα-helixtrans-64.8-27.4175.800000114.4N124 N125 D126 K132N124-G128 PolarHBondContact O-N 2.91Å; N125-G128 PolarHBondContact O-N 3.3Å; D126-G128 VanDerWaalsContact C-N 3.32Å; D126-G128 PolarHBondContact O-N 3.38Å; G128-K132 WeakPolarHBondContact O-CD 3.33Å; G128-K132 VanDerWaalsContact O-CG 3.3Å; G128-K132 WeakPolarHBondContact O-CG 3.17Å
129K98.1Very high97.6Very high114 Ų114105 Ų10550%0.49653%0.526SS..Hα-helixtrans-72.6-52168.6-67165.7-161.3165.20110.4N125 D126 L127 Q131 K132 E133N125-K129 WeakPolarHBondContact O-CG 3.49Å; N125-K129 PolarHBondContact O-N 3.45Å; D126-K129 WeakPolarHBondContact O-CB 3.27Å; D126-K129 PolarHBondContact O-N 3.32Å; D126-K129 WeakPolarHBondContact OD1-CD 3.38Å; D126-K129 WeakPolarHBondContact OD1-CE 3.34Å; D126-K129 IonicContact OD1-NZ 2.66Å; D126-K129 PolarHBondContact OD1-NZ 3.39Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 2.92Å; K129-Q131 VanDerWaalsContact C-N 3.28Å; K129-Q131 PolarHBondContact O-N 3.46Å; K129-K132 WeakPolarHBondContact O-CB 3.12Å; K129-K132 PolarHBondContact O-N 2.91Å; K129-E133 PolarHBondContact O-N 3.34Å
130L97.8Very high97.5Very high108 Ų108104.8 Ų104.857%0.56553%0.527SS*.Hα-helixtrans-60.6-36-177.5-172.464.2000112.2D126 L127 E133 L134D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 PolarHBondContact O-N 3.03Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-E133 PolarHBondContact O-N 3.33Å; L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.42Å; L130-L134 PolarHBondContact O-N 3.35Å
131Q97.8Very high97.4Very high138 Ų138103.9 Ų103.965%0.64553%0.526SS*.Hα-helixtrans-62.9-41.6173.2-175.8-179.7-2.500112.2L127 K129 L134 Q135L127-Q131 WeakPolarHBondContact O-CB 3.41Å; L127-Q131 PolarHBondContact O-N 3.45Å; K129-Q131 VanDerWaalsContact C-N 3.28Å; K129-Q131 PolarHBondContact O-N 3.46Å; Q131-L134 PolarHBondContact O-N 2.79Å; Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 PolarHBondContact O-N 3.26Å
132K97.7Very high97.3Very high150 Ų150103 Ų10365%0.65253%0.527SS*.Hα-helixtrans-68.1-38.2176.2-68.9167.7-173.2173.40111.4G128 K129 R136G128-K132 WeakPolarHBondContact O-CD 3.33Å; G128-K132 VanDerWaalsContact O-CG 3.3Å; G128-K132 WeakPolarHBondContact O-CG 3.17Å; K129-K132 WeakPolarHBondContact O-CB 3.12Å; K129-K132 PolarHBondContact O-N 2.91Å; K132-R136 VanDerWaalsContact O-CB 3.32Å; K132-R136 WeakPolarHBondContact O-CB 3.23Å; K132-R136 PolarHBondContact O-N 3.02Å
133E97.7Very high97.2Very high117 Ų117102.8 Ų102.855%0.54753%0.528SS..Hα-helixtrans-66.6-43.3174.1-67.9-170.6157.500111.9K129 L130 Q135 R136 C137K129-E133 PolarHBondContact O-N 3.34Å; L130-E133 PolarHBondContact O-N 3.33Å; E133-Q135 PolarHBondContact O-N 2.89Å; E133-R136 WeakPolarHBondContact O-CB 3.33Å; E133-R136 PolarHBondContact O-N 2.65Å; E133-C137 WeakPolarHBondContact O-CB 3.48Å; E133-C137 PolarHBondContact O-N 3.4Å; E133-C137 PolarHBondContact O-SG 2.98Å
134L97.4Very high97.2Very high118 Ų118103.1 Ų103.162%0.61853%0.531SS*.Hα-helixtrans-60-46174.3-178.463.1000111.5L130 Q131 R136 C137 Q138L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.42Å; L130-L134 PolarHBondContact O-N 3.35Å; Q131-L134 PolarHBondContact O-N 2.79Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.28Å; L134-C137 PolarHBondContact O-N 3.43Å; L134-Q138 WeakPolarHBondContact O-CB 3.46Å; L134-Q138 PolarHBondContact O-N 2.92Å
135Q97.6Very high97.1Very high130 Ų130100.8 Ų100.861%0.60752%0.523SS*.Hα-helixtrans-62.7-39.3176-168.5-178.424.600111.8Q131 E133 Q138 A139Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 PolarHBondContact O-N 3.26Å; E133-Q135 PolarHBondContact O-N 2.89Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q135-A139 WeakPolarHBondContact O-CB 3.44Å; Q135-A139 PolarHBondContact O-N 2.95Å
136R97.2Very high97Very high175 Ų175100.9 Ų100.966%0.6652%0.524SS*.Hα-helixtrans-64.5-42.6174-175.3-177.7-177.8-166.41.1111.7K132 E133 L134 A139 N140K132-R136 VanDerWaalsContact O-CB 3.32Å; K132-R136 WeakPolarHBondContact O-CB 3.23Å; K132-R136 PolarHBondContact O-N 3.02Å; E133-R136 WeakPolarHBondContact O-CB 3.33Å; E133-R136 PolarHBondContact O-N 2.65Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.28Å; R136-A139 PolarHBondContact O-N 3.02Å; R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 PolarHBondContact O-N 3.46Å; R136-N140 PolarHBondContact O-ND2 3.5Å
137C95.6Very high97Very high73 Ų73104.1 Ų104.149%0.49354%0.535SS..Hα-helixtrans-64.3-41.5174.1-76.60000112E133 L134 N140 T141E133-C137 WeakPolarHBondContact O-CB 3.48Å; E133-C137 PolarHBondContact O-N 3.4Å; E133-C137 PolarHBondContact O-SG 2.98Å; L134-C137 PolarHBondContact O-N 3.43Å; C137-N140 PolarHBondContact O-N 2.85Å; C137-T141 VanDerWaalsContact O-CB 3.31Å; C137-T141 WeakPolarHBondContact O-CB 3.49Å; C137-T141 PolarHBondContact O-N 3.48Å; C137-T141 PolarHBondContact O-OG1 3.26Å
138Q96.7Very high96.9Very high135 Ų135103.7 Ų103.763%0.63153%0.532SS*.Hα-helixtrans-62.4-45.3174-171.7-175.41200111.7L134 Q135 T141 S142L134-Q138 WeakPolarHBondContact O-CB 3.46Å; L134-Q138 PolarHBondContact O-N 2.92Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q138-T141 PolarHBondContact O-N 2.89Å; Q138-S142 WeakPolarHBondContact O-CB 3.37Å; Q138-S142 PolarHBondContact O-N 3.07Å
139A96.9Very high96.8Very high47 Ų47106.5 Ų106.539%0.38855%0.545SS..Hα-helixtrans-62.1-46.617600000111.9Q135 R136 T141 S142 I143Q135-A139 WeakPolarHBondContact O-CB 3.44Å; Q135-A139 PolarHBondContact O-N 2.95Å; R136-A139 PolarHBondContact O-N 3.02Å; A139-T141 VanDerWaalsContact C-N 3.29Å; A139-T141 PolarHBondContact O-N 2.97Å; A139-S142 PolarHBondContact O-N 2.99Å; A139-I143 VanDerWaalsContact O-CG1 3.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.45Å; A139-I143 PolarHBondContact O-N 3.01Å
140N96.8Very high96.8Very high88 Ų88105.7 Ų105.747%0.47155%0.549SS..Hα-helixtrans-58.9-40.8174.3-72.3-17.1000111.9R136 C137 I143 L144R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 PolarHBondContact O-N 3.46Å; R136-N140 PolarHBondContact O-ND2 3.5Å; C137-N140 PolarHBondContact O-N 2.85Å; N140-I143 PolarHBondContact O-N 3.47Å; N140-L144 WeakPolarHBondContact O-CB 3.34Å; N140-L144 PolarHBondContact O-N 3.37Å
141T95.9Very high96.7Very high91 Ų91105.2 Ų105.256%0.55855%0.548SS*.Hα-helixtrans-66.9-41.1178.2-570000111.3C137 Q138 A139 L144 S145C137-T141 VanDerWaalsContact O-CB 3.31Å; C137-T141 WeakPolarHBondContact O-CB 3.49Å; C137-T141 PolarHBondContact O-N 3.48Å; C137-T141 PolarHBondContact O-OG1 3.26Å; Q138-T141 PolarHBondContact O-N 2.89Å; A139-T141 VanDerWaalsContact C-N 3.29Å; A139-T141 PolarHBondContact O-N 2.97Å; T141-L144 PolarHBondContact O-N 3.01Å; T141-S145 VanDerWaalsContact O-CB 3.24Å; T141-S145 WeakPolarHBondContact O-CB 3.11Å; T141-S145 PolarHBondContact O-N 2.94Å
142S95.1Very high96.7Very high62 Ų62103.2 Ų103.243%0.43454%0.54SS..Hα-helixtrans-62.6-47173.7-178.20000111.7Q138 A139 L144 S145 N146Q138-S142 WeakPolarHBondContact O-CB 3.37Å; Q138-S142 PolarHBondContact O-N 3.07Å; A139-S142 PolarHBondContact O-N 2.99Å; S142-L144 VanDerWaalsContact C-N 3.33Å; S142-L144 PolarHBondContact O-N 3.27Å; S142-S145 PolarHBondContact O-N 3.14Å; S142-N146 WeakPolarHBondContact O-CB 3.37Å; S142-N146 PolarHBondContact O-N 3.2Å; S142-N146 PolarHBondContact O-ND2 3.33Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å
143I96.9Very high96.6Very high95 Ų9598.6 Ų98.649%0.48753%0.53SS..Hα-helixtrans-59.7-43.4175.9-67.9162.9000111.2A139 N140 K147A139-I143 VanDerWaalsContact O-CG1 3.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.45Å; A139-I143 PolarHBondContact O-N 3.01Å; N140-I143 PolarHBondContact O-N 3.47Å; I143-K147 WeakPolarHBondContact O-CG 3.25Å; I143-K147 PolarHBondContact O-N 2.94Å
144L96.3Very high96.5Very high121 Ų12198.9 Ų98.963%0.63453%0.531SS*.Hα-helixtrans-68.3-41.7178.2-17661.3000112.2N140 T141 S142 K147 L148N140-L144 WeakPolarHBondContact O-CB 3.34Å; N140-L144 PolarHBondContact O-N 3.37Å; T141-L144 PolarHBondContact O-N 3.01Å; S142-L144 VanDerWaalsContact C-N 3.33Å; S142-L144 PolarHBondContact O-N 3.27Å; L144-K147 PolarHBondContact O-N 3.4Å; L144-L148 WeakPolarHBondContact O-CB 3.2Å; L144-L148 PolarHBondContact O-N 3.38Å
145S95.8Very high96.4Very high61 Ų6196.3 Ų96.343%0.42752%0.522SS..Hα-helixtrans-62.2-42.8175.6-173.50000111.8T141 S142 L148 T149T141-S145 VanDerWaalsContact O-CB 3.24Å; T141-S145 WeakPolarHBondContact O-CB 3.11Å; T141-S145 PolarHBondContact O-N 2.94Å; S142-S145 PolarHBondContact O-N 3.14Å; S145-L148 PolarHBondContact O-N 2.83Å; S145-T149 WeakPolarHBondContact O-CB 3.27Å; S145-T149 PolarHBondContact O-N 3.35Å; S145-T149 PolarHBondContact O-OG1 3.28Å
146N96.6Very high96.3Very high97 Ų9796 Ų9652%0.51952%0.521SS..Hα-helixtrans-64.5-44176-70.9-31.1000111.6S142 T149 V150S142-N146 WeakPolarHBondContact O-CB 3.37Å; S142-N146 PolarHBondContact O-N 3.2Å; S142-N146 PolarHBondContact O-ND2 3.33Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å; N146-T149 PolarHBondContact O-N 2.86Å; N146-V150 WeakPolarHBondContact O-CG2 3.32Å; N146-V150 PolarHBondContact O-N 3.47Å
147K97.3Very high96.1Very high134 Ų13491.3 Ų91.358%0.58352%0.515SS*.Hα-helixtrans-58.6-51.8172.4-79.8-176.2174-172.10111.8I143 L144 T149 V150 D151I143-K147 WeakPolarHBondContact O-CG 3.25Å; I143-K147 PolarHBondContact O-N 2.94Å; L144-K147 PolarHBondContact O-N 3.4Å; K147-T149 VanDerWaalsContact C-N 3.26Å; K147-T149 PolarHBondContact O-N 2.65Å; K147-V150 PolarHBondContact O-N 2.9Å; K147-V150 VanDerWaalsContact O-N 3.08Å; K147-D151 PolarHBondContact O-N 3.48Å
148L96.4Very high96.1Very high99 Ų9992.4 Ų92.452%0.51851%0.513SS..Hα-helixtrans-57.8-39.1178.6-179.861000111.9L144 S145 D151 I152L144-L148 WeakPolarHBondContact O-CB 3.2Å; L144-L148 PolarHBondContact O-N 3.38Å; S145-L148 PolarHBondContact O-N 2.83Å; L148-D151 PolarHBondContact O-N 3.49Å; L148-I152 HydrophobicContact CD1-CD1 3.95Å; L148-I152 HydrophobicContact CD1-CG1 4.22Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 VanDerWaalsContact O-CB 3.32Å; L148-I152 WeakPolarHBondContact O-CB 3.36Å; L148-I152 WeakPolarHBondContact O-CD1 3.35Å; L148-I152 WeakPolarHBondContact O-CG1 3.45Å; L148-I152 PolarHBondContact O-N 3.11Å
149T96.2Very high95.9Very high83 Ų8390.1 Ų90.151%0.50951%0.508SS..Hα-helixtrans-65.1-42.3176.1-57.80000111.8S145 N146 K147 A153S145-T149 WeakPolarHBondContact O-CB 3.27Å; S145-T149 PolarHBondContact O-N 3.35Å; S145-T149 PolarHBondContact O-OG1 3.28Å; N146-T149 PolarHBondContact O-N 2.86Å; K147-T149 VanDerWaalsContact C-N 3.26Å; K147-T149 PolarHBondContact O-N 2.65Å; T149-A153 WeakPolarHBondContact O-CB 3.32Å; T149-A153 PolarHBondContact O-N 2.93Å
150V97.2Very high95.8Very high97 Ų9792.3 Ų92.359%0.58851%0.512SS*.Hα-helixtrans-65.1-44.6174.6170.20000111.3N146 K147 I152 A153 H154N146-V150 WeakPolarHBondContact O-CG2 3.32Å; N146-V150 PolarHBondContact O-N 3.47Å; K147-V150 PolarHBondContact O-N 2.9Å; K147-V150 VanDerWaalsContact O-N 3.08Å; V150-I152 PolarHBondContact O-N 3.3Å; V150-A153 PolarHBondContact O-N 3.16Å; V150-H154 WeakPolarHBondContact O-CB 3.47Å; V150-H154 PolarHBondContact O-N 2.88Å
151D96.6Very high95.6Very high99 Ų9991.2 Ų91.253%0.52951%0.512SS..Hα-helixtrans-65.3-39.2179.3-67.8-30.2000111.6K147 L148 C155K147-D151 PolarHBondContact O-N 3.48Å; L148-D151 PolarHBondContact O-N 3.49Å; D151-C155 VanDerWaalsContact O-CB 3.23Å; D151-C155 WeakPolarHBondContact O-CB 3.46Å; D151-C155 PolarHBondContact O-N 3.4Å
152I96.4Very high95.4Very high96 Ų9692.4 Ų92.449%0.49251%0.511SS..Hα-helixtrans-63.2-47.8172.3-73.3167.4000110.7L148 V150 H154 C155 Q156L148-I152 HydrophobicContact CD1-CD1 3.95Å; L148-I152 HydrophobicContact CD1-CG1 4.22Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 VanDerWaalsContact O-CB 3.32Å; L148-I152 WeakPolarHBondContact O-CB 3.36Å; L148-I152 WeakPolarHBondContact O-CD1 3.35Å; L148-I152 WeakPolarHBondContact O-CG1 3.45Å; L148-I152 PolarHBondContact O-N 3.11Å; V150-I152 PolarHBondContact O-N 3.3Å; I152-H154 VanDerWaalsContact C-N 3.35Å; I152-H154 PolarHBondContact O-N 3.48Å; I152-C155 PolarHBondContact O-N 2.92Å; I152-Q156 VanDerWaalsContact O-CB 3.3Å; I152-Q156 WeakPolarHBondContact O-CB 3.39Å; I152-Q156 PolarHBondContact O-N 3.45Å
153A95.3Very high95.3Very high52 Ų5295.3 Ų95.343%0.4352%0.516SS..Hα-helixtrans-64.1-39.1179.100000112.3T149 V150 Q156 S157T149-A153 WeakPolarHBondContact O-CB 3.32Å; T149-A153 PolarHBondContact O-N 2.93Å; V150-A153 PolarHBondContact O-N 3.16Å; A153-Q156 PolarHBondContact O-N 3.26Å; A153-S157 WeakPolarHBondContact O-CB 3.4Å; A153-S157 PolarHBondContact O-N 3.16Å
154H95.8Very high95.1Very high123 Ų12398 Ų9857%0.56952%0.524SS*.Hα-helixtrans-62.7-49.2173.1174.4-99.2000111.5V150 I152 Q156 S157 Q158V150-H154 WeakPolarHBondContact O-CB 3.47Å; V150-H154 PolarHBondContact O-N 2.88Å; I152-H154 VanDerWaalsContact C-N 3.35Å; I152-H154 PolarHBondContact O-N 3.48Å; H154-Q156 PolarHBondContact O-N 2.86Å; H154-S157 WeakPolarHBondContact O-CB 3.4Å; H154-S157 PolarHBondContact O-N 2.84Å; H154-Q158 PolarHBondContact O-N 3.01Å
155C95Very high94.6Very high65 Ų6596.5 Ų96.544%0.43952%0.516SS..Hα-helixtrans-58.9-45.4175.8-176.90000111.7D151 I152 S157 Q158 V159D151-C155 VanDerWaalsContact O-CB 3.23Å; D151-C155 WeakPolarHBondContact O-CB 3.46Å; D151-C155 PolarHBondContact O-N 3.4Å; I152-C155 PolarHBondContact O-N 2.92Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 2.95Å; C155-Q158 WeakPolarHBondContact O-CB 3.3Å; C155-Q158 PolarHBondContact O-N 3.5Å; C155-Q158 VanDerWaalsContact O-N 3.14Å; C155-V159 WeakPolarHBondContact O-CG2 3.17Å; C155-V159 PolarHBondContact O-N 3.43Å
156Q95.8Very high94.1Very high123 Ų12397.1 Ų97.158%0.57552%0.52SS*.Hα-helixtrans-60-41.1176.4-174.3178.31.300111.8I152 A153 H154 V159 L160I152-Q156 VanDerWaalsContact O-CB 3.3Å; I152-Q156 WeakPolarHBondContact O-CB 3.39Å; I152-Q156 PolarHBondContact O-N 3.45Å; A153-Q156 PolarHBondContact O-N 3.26Å; H154-Q156 PolarHBondContact O-N 2.86Å; Q156-V159 PolarHBondContact O-N 3.39Å; Q156-L160 HydrophobicContact CG-CD1 4.17Å; Q156-L160 WeakPolarHBondContact O-CB 3.4Å; Q156-L160 VanDerWaalsContact O-CG 3.25Å; Q156-L160 WeakPolarHBondContact O-CG 3.3Å; Q156-L160 PolarHBondContact O-N 3.05Å
157S94.1Very high93.8Very high76 Ų7696.7 Ų96.753%0.53152%0.517SS..Hα-helixtrans-65.2-40.3174-169.50000112.5A153 H154 C155 L160 S161A153-S157 WeakPolarHBondContact O-CB 3.4Å; A153-S157 PolarHBondContact O-N 3.16Å; H154-S157 WeakPolarHBondContact O-CB 3.4Å; H154-S157 PolarHBondContact O-N 2.84Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 2.95Å; S157-L160 PolarHBondContact O-N 3.48Å; S157-S161 WeakPolarHBondContact O-CB 3.5Å; S157-S161 PolarHBondContact O-N 2.86Å; S157-S161 PolarHBondContact O-OG 3.39Å
158Q94.8Very high93.2Very high97 Ų9796.8 Ų96.845%0.45352%0.52SS..Hα-helixtrans-65.1-43.2175.5-166.3179.233.300111.8H154 C155 S161 Q162H154-Q158 PolarHBondContact O-N 3.01Å; C155-Q158 WeakPolarHBondContact O-CB 3.3Å; C155-Q158 PolarHBondContact O-N 3.5Å; C155-Q158 VanDerWaalsContact O-N 3.14Å; Q158-S161 WeakPolarHBondContact CA-OG 3.37Å; Q158-S161 PolarHBondContact O-N 2.85Å; Q158-S161 PolarHBondContact O-OG 3.18Å; Q158-S161 VanDerWaalsContact O-OG 3.04Å; Q158-Q162 WeakPolarHBondContact O-CB 3.24Å; Q158-Q162 WeakPolarHBondContact O-CG 3.43Å; Q158-Q162 PolarHBondContact O-N 3.4Å
159V94Very high92.7Very high87 Ų8798.7 Ų98.753%0.52752%0.524SS..Hα-helixtrans-65-42.9176170.50000111.1C155 Q156 K163C155-V159 WeakPolarHBondContact O-CG2 3.17Å; C155-V159 PolarHBondContact O-N 3.43Å; Q156-V159 PolarHBondContact O-N 3.39Å; V159-K163 VanDerWaalsContact O-CB 3.22Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 PolarHBondContact O-N 3.41Å
160L94.1Very high92.2Very high93 Ų9398.2 Ų98.249%0.48752%0.521SS..Hα-helixtrans-66.9-37177.3-74.4170.6000112.9Q156 S157 K164Q156-L160 HydrophobicContact CG-CD1 4.17Å; Q156-L160 WeakPolarHBondContact O-CB 3.4Å; Q156-L160 VanDerWaalsContact O-CG 3.25Å; Q156-L160 WeakPolarHBondContact O-CG 3.3Å; Q156-L160 PolarHBondContact O-N 3.05Å; S157-L160 PolarHBondContact O-N 3.48Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 2.91Å
161S91.7Very high91.5Very high65 Ų6596 Ų9646%0.45551%0.512SS..Hα-helixtrans-73.1-42.8176.450.40000112.4S157 Q158 K163 K164 L165S157-S161 WeakPolarHBondContact O-CB 3.5Å; S157-S161 PolarHBondContact O-N 2.86Å; S157-S161 PolarHBondContact O-OG 3.39Å; Q158-S161 WeakPolarHBondContact CA-OG 3.37Å; Q158-S161 PolarHBondContact O-N 2.85Å; Q158-S161 PolarHBondContact O-OG 3.18Å; Q158-S161 VanDerWaalsContact O-OG 3.04Å; S161-K163 VanDerWaalsContact C-N 3.34Å; S161-K163 PolarHBondContact O-N 3.31Å; S161-K164 PolarHBondContact O-N 3.45Å; S161-L165 PolarHBondContact O-N 2.96Å
162Q91.8Very high90.6Very high116 Ų11693.8 Ų93.854%0.54251%0.508SS..Hα-helixtrans-60.3-43170.8-73.3-173.52100111.7Q158 K164 L165 C166Q158-Q162 WeakPolarHBondContact O-CB 3.24Å; Q158-Q162 WeakPolarHBondContact O-CG 3.43Å; Q158-Q162 PolarHBondContact O-N 3.4Å; Q162-K164 PolarHBondContact O-N 3.39Å; Q162-L165 PolarHBondContact O-N 3.44Å; Q162-C166 PolarHBondContact O-N 2.96Å; Q162-C166 PolarHBondContact O-SG 3.44Å
163K93.6Very high89.7Confident123 Ų12391.5 Ų91.554%0.53550%0.504SS..Hα-helixtrans-57.5-48.9175.4-177.9-178173.9-1760111.5V159 S161 L165 C166 D167V159-K163 VanDerWaalsContact O-CB 3.22Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 PolarHBondContact O-N 3.41Å; S161-K163 VanDerWaalsContact C-N 3.34Å; S161-K163 PolarHBondContact O-N 3.31Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.49Å; K163-C166 CarbonylContact O-C 3.58Å; K163-C166 WeakPolarHBondContact O-CB 3.44Å; K163-C166 PolarHBondContact O-N 2.86Å; K163-C166 VanDerWaalsContact O-N 3.12Å; K163-D167 VanDerWaalsContact CE-OD2 3.29Å; K163-D167 WeakPolarHBondContact CE-OD2 3.48Å; K163-D167 WeakPolarHBondContact CG-OD2 3.38Å; K163-D167 PolarHBondContact O-N 3.25Å
164K92.1Very high88.7Confident152 Ų15295.8 Ų95.866%0.66151%0.512SS*.Hα-helixtrans-56.3-43.5176.1-76.5174.4178.6-178.10112.1L160 S161 Q162 C166 D167 E168L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 2.91Å; S161-K164 PolarHBondContact O-N 3.45Å; Q162-K164 PolarHBondContact O-N 3.39Å; K164-C166 VanDerWaalsContact C-N 3.32Å; K164-C166 PolarHBondContact O-N 3.42Å; K164-D167 PolarHBondContact O-N 3.25Å; K164-E168 VanDerWaalsContact O-CB 3.27Å; K164-E168 WeakPolarHBondContact O-CB 3.46Å; K164-E168 PolarHBondContact O-N 3.23Å
165L87Confident87.7Confident88 Ų8895.4 Ų95.446%0.46151%0.514SS..Hα-helixtrans-66.5-33.7178.8-144.8173.1000111.8S161 Q162 K163 K169S161-L165 PolarHBondContact O-N 2.96Å; Q162-L165 PolarHBondContact O-N 3.44Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.49Å; L165-K169 HydrophobicContact CD2-CD 3.84Å; L165-K169 VanDerWaalsContact CD2-CE 3.43Å; L165-K169 HydrophobicContact CD2-CG 4.21Å; L165-K169 WeakPolarHBondContact O-CB 3.14Å; L165-K169 VanDerWaalsContact O-CG 3.32Å; L165-K169 WeakPolarHBondContact O-CG 3.42Å; L165-K169 PolarHBondContact O-N 3.33Å
166C85.4Confident86.5Confident75 Ų7598.6 Ų98.651%0.50752%0.522SS..Hα-helixtrans-70.2-47170.6-73.40000112.4Q162 K163 K164 E168 K169 V170Q162-C166 PolarHBondContact O-N 2.96Å; Q162-C166 PolarHBondContact O-SG 3.44Å; K163-C166 CarbonylContact O-C 3.58Å; K163-C166 WeakPolarHBondContact O-CB 3.44Å; K163-C166 PolarHBondContact O-N 2.86Å; K163-C166 VanDerWaalsContact O-N 3.12Å; K164-C166 VanDerWaalsContact C-N 3.32Å; K164-C166 PolarHBondContact O-N 3.42Å; C166-E168 VanDerWaalsContact C-N 3.29Å; C166-E168 PolarHBondContact O-N 3.48Å; C166-K169 PolarHBondContact O-N 3.36Å; C166-V170 WeakPolarHBondContact O-CB 3.3Å; C166-V170 VanDerWaalsContact O-CG2 3.29Å; C166-V170 WeakPolarHBondContact O-CG2 3.38Å; C166-V170 PolarHBondContact O-N 2.96Å
167D89.6Confident85.2Confident88 Ų8897.1 Ų97.147%0.47152%0.521SS..Hα-helixtrans-60.1-40.2177.6-71-27.8000110.8K163 K164 V170 A171K163-D167 VanDerWaalsContact CE-OD2 3.29Å; K163-D167 WeakPolarHBondContact CE-OD2 3.48Å; K163-D167 WeakPolarHBondContact CG-OD2 3.38Å; K163-D167 PolarHBondContact O-N 3.25Å; K164-D167 PolarHBondContact O-N 3.25Å; D167-V170 PolarHBondContact O-N 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.28Å; D167-A171 PolarHBondContact O-N 3.47Å
168E85.4Confident83.6Confident135 Ų135100 Ų10063%0.63153%0.526SS*.Hα-helixtrans-63.7-49.4173.3-177.2179.8-173.200112.3K164 C166 V170 A171 A172K164-E168 VanDerWaalsContact O-CB 3.27Å; K164-E168 WeakPolarHBondContact O-CB 3.46Å; K164-E168 PolarHBondContact O-N 3.23Å; C166-E168 VanDerWaalsContact C-N 3.29Å; C166-E168 PolarHBondContact O-N 3.48Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 3.13Å; E168-A171 WeakPolarHBondContact O-CB 3.28Å; E168-A171 PolarHBondContact O-N 3.42Å; E168-A171 VanDerWaalsContact O-N 3.16Å; E168-A172 PolarHBondContact O-N 2.77Å
169K85.2Confident82Confident139 Ų139103.4 Ų103.460%0.60454%0.54SS*.Hα-helixtrans-61.2-37.8175.4-79.2175.3174.1176.50112.5L165 C166 A172 A173L165-K169 HydrophobicContact CD2-CD 3.84Å; L165-K169 VanDerWaalsContact CD2-CE 3.43Å; L165-K169 HydrophobicContact CD2-CG 4.21Å; L165-K169 WeakPolarHBondContact O-CB 3.14Å; L165-K169 VanDerWaalsContact O-CG 3.32Å; L165-K169 WeakPolarHBondContact O-CG 3.42Å; L165-K169 PolarHBondContact O-N 3.33Å; C166-K169 PolarHBondContact O-N 3.36Å; K169-A172 PolarHBondContact O-N 3.48Å; K169-A173 WeakPolarHBondContact O-CB 3.39Å; K169-A173 PolarHBondContact O-N 2.92Å
170V84.6Confident80.2Confident74 Ų74105.4 Ų105.445%0.44855%0.548SS..Hα-helixtrans-69-36.5175.3168.60000111.2C166 D167 E168 K174C166-V170 WeakPolarHBondContact O-CB 3.3Å; C166-V170 VanDerWaalsContact O-CG2 3.29Å; C166-V170 WeakPolarHBondContact O-CG2 3.38Å; C166-V170 PolarHBondContact O-N 2.96Å; D167-V170 PolarHBondContact O-N 3.25Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 3.13Å; V170-K174 HydrophobicContact CG1-CD 4.18Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.27Å; V170-K174 PolarHBondContact O-N 3Å
171A83.6Confident78.3Confident49 Ų49105.5 Ų105.541%0.40555%0.552SS.*Hα-helixtrans-66.8-44.2173.200000112D167 E168 K174 L175D167-A171 WeakPolarHBondContact O-CB 3.28Å; D167-A171 PolarHBondContact O-N 3.47Å; E168-A171 WeakPolarHBondContact O-CB 3.28Å; E168-A171 PolarHBondContact O-N 3.42Å; E168-A171 VanDerWaalsContact O-N 3.16Å; A171-K174 PolarHBondContact O-N 3.35Å; A171-L175 PolarHBondContact O-N 2.77Å
172A78.5Confident76Confident53 Ų53110.8 Ų110.844%0.43857%0.569SS.*Hα-helixtrans-60.9-48175.200000111.9E168 K169 K174 L175 E176E168-A172 PolarHBondContact O-N 2.77Å; K169-A172 PolarHBondContact O-N 3.48Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-K174 PolarHBondContact O-N 2.96Å; A172-L175 WeakPolarHBondContact O-CB 3.28Å; A172-L175 PolarHBondContact O-N 2.96Å; A172-L175 VanDerWaalsContact O-N 3.08Å; A172-E176 PolarHBondContact O-N 3.15Å
173A76.3Confident73.5Confident49 Ų49113.9 Ų113.941%0.40558%0.581SS.*Hα-helixtrans-61.6-37.5175.800000112.4K169 L175 E176 V177K169-A173 WeakPolarHBondContact O-CB 3.39Å; K169-A173 PolarHBondContact O-N 2.92Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-L175 PolarHBondContact O-N 3.46Å; A173-E176 PolarHBondContact O-N 2.91Å; A173-V177 WeakPolarHBondContact O-CG2 3.3Å; A173-V177 PolarHBondContact O-N 3.32Å
174K75.6Confident70.9Confident141 Ų141114.8 Ų114.861%0.61360%0.596SS**Hα-helixtrans-64-35.9173-79.1171.6179.2177.10112.7V170 A171 A172 V177 Q178V170-K174 HydrophobicContact CG1-CD 4.18Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.27Å; V170-K174 PolarHBondContact O-N 3Å; A171-K174 PolarHBondContact O-N 3.35Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-K174 PolarHBondContact O-N 2.96Å; K174-V177 PolarHBondContact O-N 3.42Å; K174-Q178 PolarHBondContact O-N 3.36Å
175L73.9Confident68.4Low115 Ų115113.3 Ų113.360%0.60260%0.6SS**Hα-helixtrans-69.7-39.2174.7-74.9169.1000112.2A171 A172 A173 Q178 K179A171-L175 PolarHBondContact O-N 2.77Å; A172-L175 WeakPolarHBondContact O-CB 3.28Å; A172-L175 PolarHBondContact O-N 2.96Å; A172-L175 VanDerWaalsContact O-N 3.08Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-L175 PolarHBondContact O-N 3.46Å; L175-Q178 PolarHBondContact O-N 2.92Å; L175-K179 VanDerWaalsContact O-CB 3.3Å; L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 2.65Å
176E70Confident67.3Low133 Ų133114.6 Ų114.662%0.62161%0.614SS**Hα-helixtrans-63.4-42.9171.7-68.7-164.5122.800111.9A172 A173 K179 N180A172-E176 PolarHBondContact O-N 3.15Å; A173-E176 PolarHBondContact O-N 2.91Å; E176-K179 PolarHBondContact O-N 3.17Å; E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 3.06Å; E176-N180 PolarHBondContact O-ND2 3.38Å
177V68.8Low66Low91 Ų91116.5 Ų116.555%0.55263%0.625SS**Hα-helixtrans-61.8-45.4174.5171.20000111.3A173 K174 K179 N180 V181A173-V177 WeakPolarHBondContact O-CG2 3.3Å; A173-V177 PolarHBondContact O-N 3.32Å; K174-V177 PolarHBondContact O-N 3.42Å; V177-K179 PolarHBondContact O-N 2.82Å; V177-N180 PolarHBondContact O-N 3.42Å; V177-V181 HydrophobicContact CG1-CG2 4.34Å; V177-V181 WeakPolarHBondContact O-CB 3.48Å; V177-V181 VanDerWaalsContact O-CG2 3.27Å; V177-V181 WeakPolarHBondContact O-CG2 3.25Å; V177-V181 PolarHBondContact O-N 2.84Å
178Q60.5Low63.2Low136 Ų136117.4 Ų117.464%0.63665%0.645SS**Hα-helixtrans-61.6-42.9174.9-84.7-169.6-2.300112.7K174 L175 N180 V181 Q182K174-Q178 PolarHBondContact O-N 3.36Å; L175-Q178 PolarHBondContact O-N 2.92Å; Q178-N180 PolarHBondContact O-N 2.92Å; Q178-V181 CarbonylContact O-C 3.57Å; Q178-V181 PolarHBondContact O-N 3.04Å; Q178-Q182 PolarHBondContact O-N 3.5Å
179K59.9Low60.4Low169 Ų169114.9 Ų114.974%0.73566%0.655SS**Hα-helixtrans-59.3-34.5176.6-174.3179.4177.6-175.20112.2L175 E176 V177L175-K179 VanDerWaalsContact O-CB 3.3Å; L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 2.65Å; E176-K179 PolarHBondContact O-N 3.17Å; V177-K179 PolarHBondContact O-N 2.82Å
180N57.7Low57.7Low130 Ų130113.9 Ų113.970%0.69567%0.665SS**Hα-helixtrans-80.6-22.9175.3-66.9-27.2000113.6E176 V177 Q178E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 3.06Å; E176-N180 PolarHBondContact O-ND2 3.38Å; V177-N180 PolarHBondContact O-N 3.42Å; Q178-N180 PolarHBondContact O-N 2.92Å
181V53.8Low56Low95 Ų95115.5 Ų115.558%0.57668%0.678SS**Hα-helixtrans-86.7-10.6176.6169.90000112.9V177 Q178 K183V177-V181 HydrophobicContact CG1-CG2 4.34Å; V177-V181 WeakPolarHBondContact O-CB 3.48Å; V177-V181 VanDerWaalsContact O-CG2 3.27Å; V177-V181 WeakPolarHBondContact O-CG2 3.25Å; V177-V181 PolarHBondContact O-N 2.84Å; Q178-V181 CarbonylContact O-C 3.57Å; Q178-V181 PolarHBondContact O-N 3.04Å; V181-K183 PolarHBondContact O-N 3.48Å
182Q43.8Very low53.5Low175 Ų175118.5 Ų118.582%0.81869%0.691SS**SBendtrans-71.940.4174.8-161.285.98000113.5Q178Q178-Q182 PolarHBondContact O-N 3.5Å
183K37.4Very low51.3Low182 Ų182123.6 Ų123.679%0.79171%0.706SS**SBendtrans-149.9119.1172.6-155.6173.9-175.3179.60109.9V181V181-K183 PolarHBondContact O-N 3.48Å
184V39.2Very low49.1Very low141 Ų141127.3 Ų127.386%0.85572%0.715SS**SBendtrans80.490.5179.8-166.90000116.5
185V40.6Very low47Very low122 Ų122129 Ų12974%0.73972%0.722SS**  trans-159.6153170.31740000106.3
186P64.6Low45Very low115 Ų115130.7 Ų130.775%0.74773%0.725SS**  cis-109.8-125.3-4.623.63000108.9
187P57.3Low43Very low114 Ų114128.4 Ų128.474%0.7473%0.728SS**  cis-143.1175.6-1544.2-24.8000119.7
188A30.8Very low41.2Very low108 Ų108130.8 Ų130.889%0.89373%0.734SS**  trans76125.6147.900000122.5
189G25.7Very low39.7Very low82 Ų82129.3 Ų129.385%0.84575%0.745SS**  trans159.4111.6165.500000114.8
190S29.7Very low38.3Very low117 Ų117124.3 Ų124.382%0.81874%0.741SS**  trans-146.4-17817266.80000108.1
191P49.2Very low37Very low109 Ų109126.3 Ų126.371%0.70875%0.746SS**  cis-146.7-165.311.936-10000117.3
192T29.8Very low36Very low111 Ų111128.4 Ų128.468%0.68175%0.749SS**  trans92.5108.3143.8-57.10000123.3
193Q32.6Very low35.3Very low160 Ų160127 Ų12775%0.74874%0.741SS**  trans41.4164.7130.1-44.7-174.112.300122.6
194Q30.6Very low34.9Very low128 Ų128125.5 Ų125.560%0.59874%0.736SS**  cis-163.4153.411.2-149.3-177.29000113.3
195K30.7Very low34.5Very low176 Ų176126.2 Ų126.277%0.76573%0.73SS**  trans64.9159.1151.4-93.5178.2-168148.70120.9
196K31.5Very low34.4Very low151 Ų151126.2 Ų126.266%0.65773%0.733SS**  cis-158.2173.7-12.6-155.8-143.8174.7-159.60109.8E198K196-E198 WeakPolarHBondContact CD-OE2 3.32Å; K196-E198 WeakPolarHBondContact CE-OE2 3.42Å; K196-E198 IonicContact NZ-OE1 2.62Å; K196-E198 PolarHBondContact NZ-OE1 2.93Å; K196-E198 IonicContact NZ-OE2 2.9Å; K196-E198 PolarHBondContact NZ-OE2 3.48Å
197A29.4Very low32.8Very low85 Ų85127.8 Ų127.870%0.70273%0.734SS**  trans83.8145.2152.700000119.5
198E31.4Very low31.5Very low141 Ų141126 Ų12666%0.65974%0.736SS**  cis-165.9169.2-32.1-142.6124170.900110.6K196K196-E198 WeakPolarHBondContact CD-OE2 3.32Å; K196-E198 WeakPolarHBondContact CE-OE2 3.42Å; K196-E198 IonicContact NZ-OE1 2.62Å; K196-E198 PolarHBondContact NZ-OE1 2.93Å; K196-E198 IonicContact NZ-OE2 2.9Å; K196-E198 PolarHBondContact NZ-OE2 3.48Å
199A29.1Very low31.5Very low105 Ų105130.8 Ų130.887%0.86874%0.736SS**  trans64.8139.117200000118
200G28.6Very low31.6Very low63 Ų63131.9 Ų131.965%0.64974%0.738SS**  cis169.9129.4-11.800000114.2
201E31.8Very low31.8Very low173 Ų173131 Ų13181%0.80874%0.737SS**  trans65.7141.9141.3-56.1-172.198.200119.2
202Q31.6Very low31.4Very low138 Ų138131.2 Ų131.265%0.64574%0.738SS**  cis-160.6158.5-2.7-124-174.348.200111.6
203K30Very low31.4Very low146 Ų146131.5 Ų131.564%0.63574%0.74SS**  trans32149.5134.1-82.2-178.5173.7-80.50121.9
204E28.6Very low31.4Very low151 Ų151132.6 Ų132.671%0.70675%0.745SS**  cis-168.1162-11.5-146.2157.7-141.600109.8
205E31.1Very low31.4Very low155 Ų155131.6 Ų131.672%0.72476%0.759SS**  trans-74.6160.1158.2-110.2-171.9116.400110.1
206P38.4Very low31.5Very low123 Ų123132.4 Ų132.480%0.79977%0.765SS**  -155.2-175.157.542.9-20.7000118.9
207I31.8Very low31.4Very low148 Ų148129.3 Ų129.376%0.75977%0.768SS**  trans-55.4142.9177.2-62.5151.4000115.5
208G29.6Very low31.3Very low76 Ų76130 Ų13078%0.78477%0.773SS**  trans-164.1128.7161.600000113
209K30.9Very low31.2Very low209 Ų209127.4 Ų127.491%0.90978%0.776SS**  trans-96.1137.3-173.8-68.6179176.2-179.90113.8
210A28.2Very low31.2Very low105 Ų105127.3 Ų127.387%0.86878%0.775SS**  trans-164.1145136.900000111.3
211A32.2Very low31.2Very low97 Ų97129.1 Ų129.180%0.80278%0.784SS**  trans-131.9170.2170.500000106.9
212P42.3Very low31Very low114 Ų114127.4 Ų127.474%0.7479%0.785SS**  cis-116.2-171.122.340.6-23.7000112.6
213T29.1Very low30.8Very low118 Ų118126.6 Ų126.672%0.72480%0.795SS**  cis-144.6125.918.7-31.50000114.5
214E32.3Very low30.9Very low183 Ų183128.3 Ų128.386%0.85581%0.805SS**  trans-1.6131.3152.6-62.6160.2163.100121.9
215A31Very low31.1Very low106 Ų106128 Ų12888%0.87680%0.802SS**  trans-154.2111.7133.400000109.5
216E31.9Very low31.4Very low194 Ų194126.3 Ų126.391%0.90780%0.804SS**  trans-87.8160.2178.2-106.3-171.9123.300112
217A29.8Very low31Very low85 Ų85125.7 Ų125.770%0.70279%0.794SS**  cis-149.3168.80.500000111.8
218A28.1Very low31.1Very low99 Ų99125 Ų12582%0.81879%0.79SS**  trans-111.8-177.9166.700000109.5
219A29.5Very low31.6Very low87 Ų87127 Ų12772%0.71979%0.789SS**  cis-151.1141.63.300000108.3
220A28.5Very low31.6Very low103 Ų103126.7 Ų126.785%0.85179%0.791SS**  55.2113.394.400000117.7
221A27.8Very low31.5Very low102 Ų102124.8 Ų124.884%0.84378%0.782SS**  trans-155.599.9152.500000112.8
222V28.6Very low31.5Very low137 Ų137130.8 Ų130.883%0.8379%0.79SS**  trans-6.1135.2155.4-179.90000118.5
223S26.1Very low30.8Very low121 Ų121129.1 Ų129.185%0.84679%0.794SS**  trans-128.6143.7156.8-173.40000110.8
224Q33.1Very low30.7Very low181 Ų181129 Ų12985%0.84680%0.797SS**  trans-95.7156.9-176.6-67.3-175.3-4.600112.5
225K31.8Very low30.7Very low145 Ų145128.9 Ų128.963%0.6379%0.794SS**  trans-135.9139.6-179.6-159.8-154.1-174.4-165.20110.7N227K225-N227 VanDerWaalsContact CE-OD1 3.24Å; K225-N227 WeakPolarHBondContact CE-OD1 3.43Å; K225-N227 PolarHBondContact NZ-OD1 2.9Å
226P38.3Very low30.8Very low119 Ų119129.5 Ų129.577%0.77379%0.787SS**  -133.7123.3115146.7000111.4
227N29.1Very low30.9Very low111 Ų111124.6 Ų124.659%0.59477%0.774SS**  64.2102.299.6-75.3-1.6000113.9K225K225-N227 VanDerWaalsContact CE-OD1 3.24Å; K225-N227 WeakPolarHBondContact CE-OD1 3.43Å; K225-N227 PolarHBondContact NZ-OD1 2.9Å
228I35.9Very low30.8Very low133 Ų133129.1 Ų129.168%0.68278%0.78SS**  81.2140.472.1-74.8174.2000111.9
229P40.1Very low31Very low117 Ų117131.5 Ų131.576%0.7678%0.779SS**  cis-123.3163.35.936-21000116.2
230Q29Very low31.3Very low203 Ų203134.5 Ų134.595%0.94978%0.782SS**  trans-133.9143143.2-159.1175.819.600107.9
231G27.3Very low31.4Very low65 Ų65136 Ų13667%0.6777%0.774SS**  trans-116.2147-162.800000115.9
232K32.1Very low31.6Very low223 Ų223138 Ų13897%0.9777%0.771SS**  trans70.2121.7166.1-55.7-178.9177.3-177.40116.9
233G27.5Very low31.8Very low80 Ų80139.3 Ų139.383%0.82577%0.773SS**  trans142.748.3164.400000118.2
234S27.4Very low32.1Very low114 Ų114140.6 Ų140.680%0.79777%0.769SS**  trans-76.3142.9167.9-157.70000109.4
235K32.7Very low31.9Very low182 Ų182139.3 Ų139.379%0.79177%0.768SS**  cis61.513748.1-83.5-164.6178.7-169.90113.5
236V31.3Very low32Very low119 Ų119137.8 Ų137.872%0.72177%0.771SS**  cis-162.6164.5-1193.50000110.4
237S34Very low31.6Very low90 Ų90139.4 Ų139.463%0.62977%0.773SS**  trans26.1149.6158.7-49.80000125.9
238E28.7Very low31.8Very low181 Ų181144 Ų14485%0.84679%0.788SS**  113155.9126-102.1162.2128.300122.4
239L33.1Very low31.5Very low149 Ų149146.5 Ų146.578%0.7880%0.796SS**  trans-83.5154.1-156.7-67.7143.8000114.2
240L34.2Very low30.8Very low149 Ų149152.6 Ų152.678%0.7880%0.804SS**  -174.4131.6109.2-119.180.4000114.5
241I31.9Very low30.7Very low135 Ų135148.1 Ų148.169%0.69280%0.796SS**  trans41126132.9-62.7174.4000121.4
242N31.6Very low30.9Very low144 Ų144154 Ų15477%0.7781%0.806SS**  trans38.6129.4151.3-58.4-3.9000121.9
243N32.2Very low31Very low165 Ų165152.3 Ų152.388%0.88280%0.801SS**  -155.4158.4113-111.9-35.1000113.7
244I32.3Very low31.5Very low147 Ų147154 Ų15475%0.75480%0.797SS**  trans-81132.9179.3-64.4163.5000109.2T246I244-T246 HydrophobicContact CG2-CG2 4.43Å
245N29.3Very low31.4Very low155 Ų155155.7 Ų155.783%0.82980%0.797SS**  trans-104.965.5179.4-16460.3000112.4
246T33.4Very low31.4Very low112 Ų112153.9 Ų153.969%0.68779%0.794SS**  trans-82.1105.6156.837.70000108.6I244I244-T246 HydrophobicContact CG2-CG2 4.43Å
247D29.8Very low31.3Very low153 Ų153155.3 Ų155.382%0.81880%0.798SS**  trans-172.2105150-97.4-22.3000110.6
248K34.6Very low31Very low209 Ų209158.2 Ų158.291%0.90981%0.807SS**  trans-15495.9147.7-159.7163.3-171.1175.50110.8
249E28.6Very low31Very low184 Ų184156.3 Ų156.386%0.8680%0.801SS**  trans-63.9158.2-178.6-163.8172.3-168.300113
250W26.3Very low30.9Very low245 Ų245154.7 Ų154.793%0.92880%0.803SS**  trans-70.8148171.8-59-31.1000111.7
251S26.8Very low30.6Very low110 Ų110156.7 Ų156.777%0.76981%0.805SS**  trans-166.1123137.5-83.40000112.3
252E30.9Very low30.4Very low189 Ų189155 Ų15588%0.88381%0.811SS**  trans44135.7135.7-51.9-169.3139.800122.2
253Q34.9Very low30.3Very low186 Ų186157.2 Ų157.287%0.86982%0.816SS**  trans-73.8166.4164.7-57.8175.1-89.800111
254P36.5Very low30.3Very low115 Ų115154.9 Ų154.975%0.74781%0.813SS**  -146.3162.1111.937.7-24.1000117
255L26.6Very low30.3Very low151 Ų151157.4 Ų157.479%0.79182%0.822SS**  trans52.3104.1150.7-95.361.1000122.1
256I32.8Very low30.2Very low143 Ų143155 Ų15573%0.73382%0.817SS**  23.5115.2112.5-42165.9000117.7
257D28.7Very low30.1Very low149 Ų149155.7 Ų155.780%0.79782%0.821SS**  169125.3114-104.2-32.7000112.3
258D26.7Very low30.3Very low152 Ų152153.8 Ų153.881%0.81382%0.817SS**  -175176.9126.6-151.8-8.7000110.6
259L29.1Very low30Very low140 Ų140151.7 Ų151.773%0.73381%0.813SS**  trans-102.8164.5-146-10163.3000119.3
260S31.3Very low30Very low116 Ų116149.3 Ų149.381%0.81181%0.81SS**  trans89.1148.6153.989.20000116.9
261K28.6Very low30.1Very low191 Ų191141.3 Ų141.383%0.8380%0.804SS**  cis-159.2133.512.3-172.2-179177.9-177.60112.6
262A28.3Very low30.2Very low98 Ų98141.7 Ų141.781%0.8181%0.807SS**  trans61.6160.617300000114.8
263E29.4Very low30.1Very low191 Ų191140.7 Ų140.789%0.89380%0.802SS**  cis-132.4172.913.5-165.5167.9170.100111.1
264S31.6Very low29.8Very low117 Ų117138.5 Ų138.582%0.81880%0.796SS**  trans-122.5132-166.5-56.30000114.5
265Q31.1Very low29.4Very low199 Ų199145.1 Ų145.193%0.9381%0.806SS**  trans-146.9138.9150.2-130.3172.615.300113
266S29.2Very low29.5Very low104 Ų104145 Ų14573%0.72781%0.806SS**  trans-85.3170176.351.50000111
267V30.8Very low29.4Very low128 Ų128147 Ų14778%0.77681%0.809SS**  cis-153.2150.537.5177.60000110
268P34.3Very low29.4Very low112 Ų112146.2 Ų146.273%0.72781%0.805SS**  trans-102.6165.1179.539.5-35.5000115.1
269M28.2Very low29.5Very low166 Ų166145.7 Ų145.782%0.81880%0.797SS**  trans-178.2122.8135.4-99.5-17290.700110
270V27.8Very low29.6Very low133 Ų133145.4 Ų145.481%0.80679%0.792SS**  78.612684.51690000114.3
271G28.2Very low29.5Very low77 Ų77147.9 Ų147.979%0.79479%0.789SS**  trans165.475.8171.400000115.4
272S30.2Very low29.5Very low119 Ų119145.4 Ų145.483%0.83278%0.78SS**  trans-95.2162.7172.8-64.20000112.8
273E28.1Very low29.6Very low167 Ų167143.7 Ų143.778%0.7877%0.772SS**  trans111.1109.1154.3-62.6-141.776.300120.5
274N28.9Very low29.5Very low140 Ų140142.3 Ų142.375%0.74977%0.765SS**  36.8118.7124.5-67.7-45.4000120.5
275R27.9Very low29.2Very low255 Ų255139.8 Ų139.896%0.96276%0.758SS**  -147.1150.4124.1-129.9174.8-174.1179.62112.8
276N27.9Very low29.2Very low148 Ų148138.8 Ų138.879%0.79175%0.75SS**  trans-131168.4-169.9-133.4-28.6000109.9
277K31.8Very low29Very low184 Ų184139.6 Ų139.680%0.875%0.751SS**  trans78.2146.9-177.7-51.9-169.8171-172.30114.2
278L27.7Very low28.9Very low133 Ų133138.2 Ų138.270%0.69675%0.747SS**  cis-161.2169.8-0.3-133.739.3000107.2
279Q29.7Very low28.6Very low141 Ų141141.6 Ų141.666%0.65975%0.753SS**  cis-154.7-170.68.1-159.5156.3-28.100111.5
280Q30.5Very low28.5Very low134 Ų134137.9 Ų137.963%0.62675%0.749SS**  trans-41.2170.9168.6-68.4161.3-43.100117.5
281K29.6Very low28.5Very low169 Ų169137.4 Ų137.474%0.73575%0.747SS**  cis-163.1137.641.7-163.5171.3-178.5-173.60118.1
282E28.9Very low28.5Very low139 Ų139139.1 Ų139.165%0.6574%0.741SS**  trans16.7156.4145.2-54.5157.4169.300121.6
283G29.2Very low28.3Very low62 Ų62143.8 Ų143.864%0.63974%0.741SS**  cis-160.6155.78.900000112.5
284E28.5Very low28.5Very low161 Ų161145.4 Ų145.475%0.75275%0.745SS**  88.6142.689.3-72.8-151.8115.500114K286E284-K286 IonicContact OE1-NZ 2.99Å; E284-K286 PolarHBondContact OE1-NZ 2.91Å
285G25.2Very low28.3Very low64 Ų64142.7 Ų142.766%0.6675%0.751SS**  cis-116.6173-4.800000112.8
286K30.4Very low28.4Very low179 Ų179138.1 Ų138.178%0.77874%0.744SS**  cis63.7138.549.2-67.4177.1-175.2154.70112.7E284E284-K286 IonicContact OE1-NZ 2.99Å; E284-K286 PolarHBondContact OE1-NZ 2.91Å
287T26.1Very low28.6Very low120 Ų120137 Ų13774%0.73674%0.743SS**  cis-131.2144.723.732.60000112.7
288S27.5Very low28.5Very low100 Ų100135.2 Ų135.270%0.69974%0.742SS**  42.5140.991.772.20000115.8
289E27.4Very low28.6Very low182 Ų182137.9 Ų137.985%0.8575%0.751SS**  cis-134.3157.127.4-69.1171.8112.400110.9
290A27.2Very low28.7Very low88 Ų88138.9 Ų138.973%0.72776%0.76SS**  cis85.8132.842.600000116.4
291T28.6Very low28.7Very low124 Ų124140.3 Ų140.376%0.76177%0.768SS**  trans105.183.4155.3-45.30000121.4
292T27.6Very low28.9Very low112 Ų112140.4 Ų140.469%0.68778%0.777SS**  78.5119.7115.3-55.70000124.4
293R26.5Very low29Very low218 Ų218140.8 Ų140.882%0.82378%0.783SS**  trans82.3133.2144.4-82.6171.9-175.41760.9124.2
294K30.8Very low29.3Very low201 Ų201146.2 Ų146.287%0.87479%0.79SS**  trans67.4127.9138.7-72.8-174174.3-167.50120.4
295G24.3Very low29.6Very low83 Ų83145 Ų14586%0.85679%0.788SS**  trans-175.3125.9155.500000110.4
296L30.1Very low30Very low158 Ų158149.4 Ų149.483%0.82780%0.795SS**  trans-139.5119.6176.5178.2144.1000108.9
297T32.3Very low30.2Very low126 Ų126150.4 Ų150.477%0.77380%0.802SS**  trans-149.9113.3173.745.50000109.5
298N29.6Very low30.7Very low146 Ų146149.8 Ų149.878%0.78180%0.798SS**  trans-75.1146.2158.4-61.6-16.4000108.1
299H30.5Very low30.8Very low189 Ų189152.6 Ų152.688%0.87580%0.802SS**  trans-136.3131.7154.1-100.3-83.3000109
300L31.6Very low30.9Very low162 Ų162151 Ų15185%0.84880%0.8SS**  trans-137.3122.7178.8-177.387.4000106.4
301M31.9Very low31.1Very low163 Ų163151.3 Ų151.380%0.80379%0.792SS**  trans174.6123.5148.8-103.6170.9171.300109.2
302D32.8Very low31.4Very low172 Ų172154 Ų15492%0.9280%0.796SS**  -159.2112.2122.6-98.9-29.9000106.7
303D30.7Very low31.6Very low146 Ų146157.3 Ų157.378%0.78180%0.803SS**  trans-74.9145.2169.9-83.5-57.6000109.3
304K36.8Very low31.8Very low177 Ų177156 Ų15677%0.7781%0.807SS**  trans-160.3142140.3-116.3-176.9167.8-156.30116.6
305D34.2Very low31.7Very low134 Ų134153.8 Ų153.872%0.71780%0.804SS**  trans6189.9151.7-54.1-27.4000117.6
306I33.8Very low32Very low158 Ų158153.5 Ų153.581%0.8179%0.794SS**  trans-72.6136156.3-75.3171.3000109.1V308I306-V308 HydrophobicContact CG2-CG2 3.64Å
307E35.1Very low32Very low200 Ų200157.1 Ų157.194%0.93580%0.796SS**  trans-135.4148156.9-155.2160-130.600109.3
308V35.2Very low31.9Very low106 Ų106156.3 Ų156.364%0.64279%0.791SS**  trans-136.4137.6-161.7170.50000111I306I306-V308 HydrophobicContact CG2-CG2 3.64Å
309M29.4Very low32Very low160 Ų160157.6 Ų157.679%0.78879%0.793SS**  trans63.5127.8173.3-74164.350.700116.4
310D29.2Very low32.1Very low149 Ų149157.5 Ų157.580%0.79779%0.793SS**  -127.9155.8114.1-154.8-9.8000108.9
311V33.2Very low32.1Very low94 Ų94154.2 Ų154.257%0.5779%0.789SS**  trans-127.4121.3177.4172.80000107
312H33.5Very low32.1Very low181 Ų181153 Ų15384%0.83879%0.786SS**  trans-120.5113.5165.4-102.141.5000110.8
313E32.4Very low32.1Very low180 Ų180154.2 Ų154.284%0.84179%0.786SS**  trans-110.8114.1173.8172178.4-127.400105.3
314E30Very low32.1Very low191 Ų191150.8 Ų150.889%0.89379%0.785SS**  trans-137.9122.6167.9-162.1170.2-137.100110
315D29.6Very low32.3Very low155 Ų155148.9 Ų148.983%0.82979%0.788SS**  trans-74.7144.6177.8-90.9-51.8000111.6
316A30.8Very low32.4Very low76 Ų76151.7 Ų151.763%0.62880%0.797SS**  157.7117.7103.500000115.2
317R30.1Very low32.4Very low234 Ų234151.7 Ų151.788%0.88380%0.799SS**  trans70154.6146.1-55.6170.7-172.6-158.50.5116.4
318T28.9Very low32.5Very low109 Ų109150.2 Ų150.267%0.66980%0.795SS**  cis-149.6166.25.7-15.40000110.7
319E31.7Very low32.4Very low173 Ų173152.8 Ų152.881%0.80880%0.804SS**  trans5.2133.9140.8-70.3161.8-173.100118.2
320E32.6Very low32.4Very low188 Ų188153.5 Ų153.588%0.87981%0.811SS**  cis-140.8-168.4-4.6-61.7-156.684.400108.1
321A32.1Very low32.4Very low93 Ų93150.5 Ų150.577%0.76982%0.816SS**  cis-157.9-178.71000000111.2
322D32.5Very low32.2Very low138 Ų138153.9 Ų153.974%0.73883%0.826SS**  trans-136.3119.1169.3172.230.7000111.8
323Q32.3Very low31.8Very low196 Ų196152.6 Ų152.692%0.91682%0.82SS**  trans-177.6123.6158.1-106.9145.476.200110.5
324G30.9Very low31.8Very low75 Ų75152.7 Ų152.777%0.77382%0.818SS**  trans173.65.7176.500000120
325V40.6Very low32.3Very low136 Ų136148.3 Ų148.382%0.82481%0.806SS**  trans-125.667.7-175.9-77.40000113.4
326Q36.3Very low32.1Very low193 Ų193148.2 Ų148.290%0.90280%0.8SS**  trans-163.454.1173.6-134158.5112.500116.1
327D33.8Very low32Very low159 Ų159152.4 Ų152.485%0.8581%0.807SS**  trans-152.258176.5-146.14.4000117.3
328I36.4Very low31.9Very low169 Ų169147.2 Ų147.287%0.86780%0.801SS**SBendtrans-141.128.2162.5-30.9176000112.4
329L33.5Very low31.8Very low159 Ų159145.8 Ų145.883%0.83280%0.801SS**  trans-147.586.8176.6-78180000112.4
330N30.2Very low31.7Very low175 Ų175145.8 Ų145.894%0.93681%0.806SS**  trans176.8136.9132.8-88.9-26.5000110.7
331G28.5Very low31.4Very low86 Ų86140 Ų14089%0.88780%0.796SS**  trans171.559.6-178.300000114.2
332Q28.7Very low31.3Very low166 Ų166145.5 Ų145.578%0.77681%0.806SS**  trans-117.3151.3-179.8-176.5176.8-72.400111.9
333E26.4Very low31.2Very low153 Ų153149.9 Ų149.972%0.71581%0.812SS**  trans71.3112169.4-83.2160.3114.200117.3
334K32Very low31.7Very low183 Ų183144.7 Ų144.780%0.79680%0.796SS**  71.3152.381.8-94.6-161.2171.8-165.70114.3
335P40.9Very low31.8Very low99 Ų99150.6 Ų150.664%0.64380%0.803SS**  cis-124.4-155.530.937.8-16.6000113.2
336E25.2Very low31.4Very low153 Ų153153 Ų15372%0.71581%0.805SS**  cis-151.2-108.59.9-161.361-76.300114.2
337E27.9Very low31.8Very low164 Ų164149.7 Ų149.777%0.76680%0.801SS**  trans-115.5169.5-165.8-78.4177.5138.200112.9
338T27.8Very low31.8Very low125 Ų125150.1 Ų150.177%0.76780%0.803SS**  cis-162.115435.1-19.50000114.3
339A28Very low31.8Very low79 Ų79150.8 Ų150.865%0.65380%0.803SS**  trans61.3132.1142.700000124.3
340N28.7Very low31.7Very low173 Ų173153.6 Ų153.693%0.92580%0.804SS**  trans64.7150.2157.2-61-18.9000118.7
341G27.4Very low32Very low65 Ų65152.5 Ų152.567%0.6780%0.798SS**  cis161.3146.7-900000113.5
342Q29.4Very low32.3Very low209 Ų209151.4 Ų151.498%0.97779%0.786SS**  trans74.2172.6175.1-64.5172.3-110.700117.6
343R29.6Very low32.6Very low230 Ų230151.6 Ų151.687%0.86879%0.793SS**  trans-162.3172.7-154.5-167.6-145.4173.7-125.52.4107.5
344P43.7Very low33.2Very low88 Ų88152.8 Ų152.857%0.57180%0.798SS**  -97.1165.1-84.838.7-24.5000112.2
345E32.3Very low33.3Very low199 Ų199153.7 Ų153.793%0.9381%0.805SS**  trans-133.7162.4156.6-70.9-166.213900110.7
346E33.6Very low33Very low185 Ų185155 Ų15586%0.86481%0.811SS**PPolyproline II helixtrans-94168.5-166.8-81.6178.3153.200112.3
347P43.1Very low33.4Very low125 Ų125154 Ų15481%0.81282%0.815SS**PPolyproline II helixtrans-83.2128.1-172.231.9-33.8000113
348D35.3Very low33.5Very low167 Ų167153.2 Ų153.289%0.89382%0.816SS**PPolyproline II helixtrans-95.2131162.2-84.4-41.9000110.4
349E35.7Very low33.7Very low184 Ų184150.9 Ų150.986%0.8682%0.817SS**PPolyproline II helixtrans-83.9139.5170.5-56.9173.5135.500110
350Y32.6Very low33.8Very low218 Ų218152.6 Ų152.686%0.85582%0.82SS**  trans-164.4153.9135.7-131.1-94000114.3
351D35.5Very low33.9Very low151 Ų151150.9 Ų150.981%0.80781%0.81SS**  trans-67.6166.8170.9-71.2-62.2000113.6
352G33.8Very low34.7Very low63 Ų63154 Ų15465%0.64981%0.811SS**  trans156.479.2152.100000119.3
353D35Very low35.5Very low171 Ų171152.3 Ų152.391%0.91480%0.803SS**  trans67167.6140.2-56.2-21.3000122.2
354E39.1Very low36.1Very low177 Ų177150.1 Ų150.183%0.82780%0.8SS**  trans-76.1142.3-164.6-56.8172.1107.200114.5
355Q34.3Very low35.9Very low202 Ų202152.4 Ų152.494%0.94480%0.803SS**  trans-130.1106.4147.3-79.7-172.958.200110.9
356V36Very low36.3Very low126 Ų126151.2 Ų151.276%0.76480%0.797SS**  trans-88.6124.5160.4176.40000107.8
357V32.1Very low36.7Very low133 Ų133152.5 Ų152.581%0.80679%0.794SS**  trans-166.8114.4141.2148.90000108.9
358D30.8Very low36.7Very low147 Ų147152 Ų15279%0.78679%0.785SS**  trans31.5124.3138.5-146.34.7000120.7
359G31Very low37.1Very low76 Ų76150.5 Ų150.578%0.78477%0.77SS**  trans-175.880.7-179.500000111.4
360V31Very low37.4Very low116 Ų116148.3 Ų148.370%0.70376%0.764SS**  trans-68129.4-175-179.30000111.9L362V360-L362 HydrophobicContact CG1-CD1 4.27Å; V360-L362 HydrophobicContact CG1-CG 4.25Å
361D31.7Very low38.2Very low137 Ų137142.4 Ų142.473%0.73375%0.751SS**  trans-140.8139153.9-157.6-8.9000110.5
362L43Very low38.7Very low131 Ų131142.8 Ų142.869%0.68675%0.748SS**  trans-109.410.1-156.6-102.6163.2000114.7V360V360-L362 HydrophobicContact CG1-CD1 4.27Å; V360-L362 HydrophobicContact CG1-CG 4.25Å
363E46.8Very low39.3Very low172 Ų172148.6 Ų148.680%0.80476%0.758SS**SBendtrans-88.9-10.5-176.4-64.1-159.5132.900115.5
364K41Very low39.9Very low185 Ų185149.5 Ų149.580%0.80476%0.757SS**SBendtrans-79.4-24.2-175.9-98.8-178.8178.1174.70115.4Q366 R367K364-Q366 PolarHBondContact O-N 3.27Å; K364-R367 PolarHBondContact O-N 2.85Å
365E39.2Very low40.6Very low136 Ų136148.5 Ų148.564%0.63675%0.754SS**THydrogen-bonded Turntrans-69.1-20.1-171.3-154.6-174.9139.700113.4
366Q41Very low41.5Very low173 Ų173143.5 Ų143.581%0.80875%0.748SS**THydrogen-bonded Turntrans-85.4-7.8-177.7-151.1164.7900114K364K364-Q366 PolarHBondContact O-N 3.27Å
367R42.8Very low42.3Very low213 Ų213144.1 Ų144.180%0.80475%0.746SS**THydrogen-bonded Turntrans-93.4-25.8-179.8-166.6167.2-178.7157.81.2114.6K364K364-R367 PolarHBondContact O-N 2.85Å
368N43.7Very low43Very low114 Ų114148.2 Ų148.261%0.6175%0.749SS**G310 helixtrans-79.3-17.9-176.4-7917.8000114.4N370 T371N368-N370 PolarHBondContact O-N 2.84Å; N368-T371 PolarHBondContact O-N 2.86Å; N368-T371 PolarHBondContact O-OG1 3.07Å
369K42.9Very low44Very low136 Ų136147.3 Ų147.359%0.59174%0.744SS**G310 helixtrans-70.2-19.2-177.6-71.3179.61791680113.8T371K369-T371 VanDerWaalsContact C-N 3.32Å
370N43Very low44.9Very low138 Ų138146.4 Ų146.474%0.73873%0.734SS**G310 helixtrans-92.312.3178.6-66.739.3000113.1N368N368-N370 PolarHBondContact O-N 2.84Å
371T47.5Very low45.7Very low93 Ų93146.7 Ų146.757%0.57173%0.732SS**G310 helixtrans-121.70.6179.237.30000114.4N368 K369N368-T371 PolarHBondContact O-N 2.86Å; N368-T371 PolarHBondContact O-OG1 3.07Å; K369-T371 VanDerWaalsContact C-N 3.32Å
372E46.2Very low46.8Very low160 Ų160147.9 Ų147.975%0.74874%0.739SS**SBendtrans-102.4-10.3174.1-66.9-176.7126.800113
373E48.2Very low47.2Very low184 Ų184150 Ų15086%0.8675%0.745SS**SBendtrans-91.4-6.8-175.5-153.9163.7-137.600113.8
374E47.3Very low47.5Very low191 Ų191148.7 Ų148.789%0.89374%0.744SS**SBendtrans-106.439.8175-157.9-177.9179.500111.9
375M53.2Low48.3Very low155 Ų155148.2 Ų148.276%0.76474%0.744SS**  trans-140.633.3-174.5-141-177.8-56.700115.1
376A52.6Low49Very low98 Ų98144.7 Ų144.781%0.8174%0.744SS**  trans-152.476.2179.300000114.8
377D53.8Low49.8Very low138 Ų138144.6 Ų144.674%0.73874%0.744SS**  trans-152.131.9152.2-148.27.5000114.2N379D377-N379 PolarHBondContact O-N 3.31Å; D377-N379 PolarHBondContact OD1-ND2 3.37Å
378Y46.4Very low50.3Low220 Ų220142.7 Ų142.786%0.86374%0.742SS**  trans-86.683.7165.8-165.1-94.9000109.1G380Y378-G380 PolarHBondContact O-N 2.96Å
379N52.1Low51.1Low128 Ų128144.4 Ų144.468%0.68475%0.746SS**  trans-65.7106.4170.2-67.8-71.5000108.3D377 D381D377-N379 PolarHBondContact O-N 3.31Å; D377-N379 PolarHBondContact OD1-ND2 3.37Å; N379-D381 VanDerWaalsContact C-N 3.28Å; N379-D381 PolarHBondContact O-N 3.46Å
380G50.4Low51.9Low56 Ų56141.1 Ų141.158%0.57774%0.744SS**  trans-71.180.9-178.700000111.7Y378 D382Y378-G380 PolarHBondContact O-N 2.96Å; G380-D382 PolarHBondContact O-N 3.35Å
381D46.1Very low52.7Low122 Ų122140.1 Ų140.165%0.65274%0.739SS**  trans-83.893.4170.8-157.3-4.8000108.8N379 E383 N384N379-D381 VanDerWaalsContact C-N 3.28Å; N379-D381 PolarHBondContact O-N 3.46Å; D381-E383 PolarHBondContact O-N 3Å; D381-N384 PolarHBondContact O-N 3.47Å
382D55.7Low53.3Low163 Ų163142.6 Ų142.687%0.87274%0.742SS**THydrogen-bonded Turntrans-64.6-3-175.7-82.1-29000113.4G380 N384G380-D382 PolarHBondContact O-N 3.35Å; D382-N384 VanDerWaalsContact C-N 3.3Å; D382-N384 PolarHBondContact O-N 3.34Å
383E51.5Low54Low176 Ų176141.3 Ų141.382%0.82274%0.736SS**THydrogen-bonded Turntrans-77.1-6.8174.9-64.3-162.717300114.2D381 E385D381-E383 PolarHBondContact O-N 3Å; E383-E385 PolarHBondContact O-N 2.93Å
384N52.8Low54.7Low144 Ų144135.3 Ų135.377%0.7772%0.717SS**  trans-76.266.2173.1-169.496.7000111.8D381 D382 G386D381-N384 PolarHBondContact O-N 3.47Å; D382-N384 VanDerWaalsContact C-N 3.3Å; D382-N384 PolarHBondContact O-N 3.34Å; N384-G386 PolarHBondContact O-N 3.38Å
385E57Low55.3Low175 Ų175129.2 Ų129.282%0.81870%0.7SS**  trans-60.8127.6162.5-71.7-164.4-18000109.5E383 E387E383-E385 PolarHBondContact O-N 2.93Å; E385-E387 PolarHBondContact O-N 3.5Å
386G55Low55.5Low62 Ų62128.6 Ų128.664%0.63970%0.699SS**  trans-72.391.1-178.200000112.3N384 F388N384-G386 PolarHBondContact O-N 3.38Å; G386-F388 PolarHBondContact O-N 3.26Å
387E57.3Low55.9Low171 Ų171128 Ų12880%0.79969%0.694SS**  trans-49.7121.8169.7-72.3-174.3-162.700110.4E385 E389E385-E387 PolarHBondContact O-N 3.5Å; E387-E389 PolarHBondContact O-N 3.23Å
388F54.7Low56Low173 Ų173130 Ų13076%0.75970%0.699SS**  trans-66.2125.4179.2-89.8-100.7000110G386 A390 D391G386-F388 PolarHBondContact O-N 3.26Å; F388-A390 PolarHBondContact O-N 2.98Å; F388-D391 PolarHBondContact O-N 2.89Å
389E60.2Low56Low150 Ų150129.9 Ų129.970%0.70171%0.713SS**Hα-helixtrans-58-15-172.5-167.6167.1-15500114.4E387 Q393E387-E389 PolarHBondContact O-N 3.23Å; E389-Q393 PolarHBondContact O-N 3.14Å
390A59.1Low56.2Low67 Ų67130 Ų13055%0.55472%0.715SS**Hα-helixtrans-61.8-42.7170.400000113.7F388 K392 Q393 A394F388-A390 PolarHBondContact O-N 2.98Å; A390-K392 VanDerWaalsContact C-N 3.34Å; A390-K392 PolarHBondContact O-N 3.33Å; A390-Q393 PolarHBondContact O-N 3.05Å; A390-A394 PolarHBondContact O-N 2.97Å
391D59.5Low56.5Low117 Ų117133.8 Ų133.863%0.62672%0.722SS**Hα-helixtrans-72.2-32.7-175.3-70.7-32.7000111.5F388 Q393 A394 A395F388-D391 PolarHBondContact O-N 2.89Å; D391-Q393 VanDerWaalsContact C-N 3.28Å; D391-Q393 PolarHBondContact O-N 3.01Å; D391-A394 WeakPolarHBondContact O-CB 3.46Å; D391-A394 PolarHBondContact O-N 3.46Å; D391-A394 VanDerWaalsContact O-N 3.15Å; D391-A395 PolarHBondContact O-N 2.82Å
392K61.2Low57.1Low145 Ų145134.5 Ų134.563%0.6373%0.726SS**Hα-helixtrans-62.9-33.1171.5-165.7171-172169.10112.7A390A390-K392 VanDerWaalsContact C-N 3.34Å; A390-K392 PolarHBondContact O-N 3.33Å
393Q59.6Low57.2Low133 Ų133132.8 Ų132.862%0.62172%0.717SS**Hα-helixtrans-76.7-32.2173-66.1-175.727.200112.3E389 A390 D391 L396 A397E389-Q393 PolarHBondContact O-N 3.14Å; A390-Q393 PolarHBondContact O-N 3.05Å; D391-Q393 VanDerWaalsContact C-N 3.28Å; D391-Q393 PolarHBondContact O-N 3.01Å; Q393-L396 PolarHBondContact O-N 3.49Å; Q393-A397 PolarHBondContact O-N 2.94Å
394A63.8Low57.6Low57 Ų57130.1 Ų130.147%0.47171%0.71SS.*Hα-helixtrans-64-40.117400000112.4A390 D391 L396 A397A390-A394 PolarHBondContact O-N 2.97Å; D391-A394 WeakPolarHBondContact O-CB 3.46Å; D391-A394 PolarHBondContact O-N 3.46Å; D391-A394 VanDerWaalsContact O-N 3.15Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.99Å; A394-A397 PolarHBondContact O-N 2.95Å
395A59.7Low57.9Low64 Ų64129.2 Ų129.253%0.52971%0.706SS.*Hα-helixtrans-63.8-32177.700000113.8D391 A397D391-A395 PolarHBondContact O-N 2.82Å; A395-A397 VanDerWaalsContact C-N 3.32Å
396L58Low57.9Low142 Ų142125.9 Ų125.974%0.74370%0.699SS**Hα-helixtrans-78.7-13176.7-75.5166.3000113.6Q393 A394 Q398Q393-L396 PolarHBondContact O-N 3.49Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.99Å; L396-Q398 VanDerWaalsContact C-N 3.34Å
397A60.5Low58.2Low86 Ų86130.8 Ų130.871%0.71170%0.703SS**THydrogen-bonded Turntrans-907.6178.800000113.9Q393 A394 A395Q393-A397 PolarHBondContact O-N 2.94Å; A394-A397 PolarHBondContact O-N 2.95Å; A395-A397 VanDerWaalsContact C-N 3.32Å
398Q56.3Low58.2Low180 Ų180127.5 Ų127.584%0.84170%0.695SS**  trans-132.415.9-170.9-136.6174.380.200115.3L396L396-Q398 VanDerWaalsContact C-N 3.34Å
399N46.3Very low58.6Low216 Ų216123.4 Ų123.4100%1.15569%0.689SS**  trans-114.40167.2-77.1-77.4000110.7

Retrieved 399 of 399 residues in 436 ms (Link to these results)