A0A096N7X8_PAPAN Loading...

Solute carrier family 25 member 30

AlphaFold DB , UniProt , Accession A0A096N7X8, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A30, Length 291 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
1M34.8Very low59Low246 Ų246117.5 Ų117.5100%1.21262%0.621SS**  098.40-75.2174.1-177.300107.6A3M1-A3 PolarHBondContact O-N 3.48Å
2S39.1Very low60.2Low122 Ų122109 Ų10985%0.85358%0.582SS**  trans-66.7118.5-179.1-18.10000108.5L4S2-L4 PolarHBondContact O-N 3.16Å
3A41.9Very low61.3Low85 Ų85103 Ų10370%0.70256%0.562SS**  trans-51.8118.6172.900000108.2M1 N5M1-A3 PolarHBondContact O-N 3.48Å; A3-N5 VanDerWaalsContact C-N 3.34Å; A3-N5 PolarHBondContact O-N 3.01Å
4L51.8Low62.5Low135 Ų135101.4 Ų101.471%0.70755%0.552SS**  trans-65.198.3-179.7-159.979.5000106.2S2 W6S2-L4 PolarHBondContact O-N 3.16Å; L4-W6 VanDerWaalsContact C-N 3.34Å; L4-W6 PolarHBondContact O-N 3.26Å; L4-W6 PolarHBondContact O-NE1 3.25Å; L4-W6 VanDerWaalsContact O-NE1 3.16Å
5N59.2Low63.3Low126 Ų12694.7 Ų94.767%0.67452%0.515SS*.  trans-64.297.3177.5-84.4-40.3000107.7A3 K7 P8A3-N5 VanDerWaalsContact C-N 3.34Å; A3-N5 PolarHBondContact O-N 3.01Å; N5-K7 PolarHBondContact O-N 3.03Å; N5-P8 WeakPolarHBondContact O-CD 3.42Å
6W65.4Low63.8Low181 Ų18190.1 Ų90.169%0.68649%0.492SS*.  trans-75.6-17.1178.5-46.2-52.4000112.1L4 F9 V10L4-W6 VanDerWaalsContact C-N 3.34Å; L4-W6 PolarHBondContact O-N 3.26Å; L4-W6 PolarHBondContact O-NE1 3.25Å; L4-W6 VanDerWaalsContact O-NE1 3.16Å; W6-F9 WeakPolarHBondContact O-CA 3.27Å; W6-F9 WeakPolarHBondContact O-CB 3.24Å; W6-F9 PolarHBondContact O-N 3.32Å; W6-V10 WeakPolarHBondContact O-CG2 3.32Å; W6-V10 PolarHBondContact O-N 3.49Å
7K68.6Low64.6Low92 Ų9288.6 Ų88.640%0.448%0.483SS..Hα-helixtrans-52.7-49.9-178-59.7-169.6177.6-159.20113.1N5 F9 V10 Y11 L291N5-K7 PolarHBondContact O-N 3.03Å; K7-F9 VanDerWaalsContact C-N 3.26Å; K7-F9 PolarHBondContact O-N 3.44Å; K7-V10 PolarHBondContact O-N 3.23Å; K7-Y11 HydrophobicContact CB-CD2 4.27Å; K7-Y11 HydrophobicContact CB-CE2 3.69Å; K7-Y11 WeakPolarHBondContact O-CB 3.38Å; K7-Y11 WeakPolarHBondContact O-CD2 3.46Å; K7-Y11 PolarHBondContact O-N 2.85Å; K7-L291 WeakPolarHBondContact CD-O 3.35Å; K7-L291 WeakPolarHBondContact CE-O 3.11Å; K7-L291 PolarHBondContact NZ-O 3.46Å; K7-L291 PolarHBondContact NZ-OXT 2.78Å
8P69.3Low65.5Low66 Ų6687.3 Ų87.343%0.42948%0.478SS..Hα-helixtrans-63.9-30.8177.2-17.832.9000113.1N5 G12N5-P8 WeakPolarHBondContact O-CD 3.42Å; P8-G12 WeakPolarHBondContact O-CA 3.34Å; P8-G12 PolarHBondContact O-N 2.87Å
9F68.4Low66Low138 Ų13882.7 Ų82.761%0.60545%0.453SS*.Hα-helixtrans-71.5-43.1177.1-173.9-96.9000111.4W6 K7 G13 I87W6-F9 WeakPolarHBondContact O-CA 3.27Å; W6-F9 WeakPolarHBondContact O-CB 3.24Å; W6-F9 PolarHBondContact O-N 3.32Å; K7-F9 VanDerWaalsContact C-N 3.26Å; K7-F9 PolarHBondContact O-N 3.44Å; F9-G13 PolarHBondContact O-N 2.72Å; F9-I87 HydrophobicContact CE2-CD1 3.98Å
10V75.3Confident66.5Low74 Ų7479.3 Ų79.345%0.44843%0.434SS..Hα-helixtrans-67.6-47.2176.6176.50000110.9W6 K7 G13 L14W6-V10 WeakPolarHBondContact O-CG2 3.32Å; W6-V10 PolarHBondContact O-N 3.49Å; K7-V10 PolarHBondContact O-N 3.23Å; V10-G13 PolarHBondContact O-N 3.02Å; V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.26Å
11Y75.8Confident67Low28 Ų2877.5 Ų77.511%0.1143%0.426CS..Hα-helixtrans-64.4-42.4177.7-57.2-32.7000111.7K7 A15 L286 L291K7-Y11 HydrophobicContact CB-CD2 4.27Å; K7-Y11 HydrophobicContact CB-CE2 3.69Å; K7-Y11 WeakPolarHBondContact O-CB 3.38Å; K7-Y11 WeakPolarHBondContact O-CD2 3.46Å; K7-Y11 PolarHBondContact O-N 2.85Å; Y11-A15 WeakPolarHBondContact O-CB 3.22Å; Y11-A15 PolarHBondContact O-N 3.13Å; Y11-L286 HydrophobicContact CD1-CB 3.94Å; Y11-L286 HydrophobicContact CG-CB 4.14Å; Y11-L291 PolarHBondContact OH-O 2.87Å
12G73.4Confident69Low15 Ų1567.6 Ų67.616%0.15539%0.388CS..Hα-helixtrans-63.8-39.4174.900000112.6P8 S16P8-G12 WeakPolarHBondContact O-CA 3.34Å; P8-G12 PolarHBondContact O-N 2.87Å; G12-S16 VanDerWaalsContact O-CB 3.27Å; G12-S16 WeakPolarHBondContact O-CB 3.04Å; G12-S16 PolarHBondContact O-N 3.14Å; G12-S16 PolarHBondContact O-OG 3.42Å
13G74.3Confident70.7Confident31 Ų3161.9 Ų61.932%0.3235%0.347SS..Hα-helixtrans-65-49.9175.600000112.7F9 V10 S16 I17F9-G13 PolarHBondContact O-N 2.72Å; V10-G13 PolarHBondContact O-N 3.02Å; G13-S16 WeakPolarHBondContact O-CB 3.48Å; G13-S16 PolarHBondContact O-N 2.84Å; G13-I17 WeakPolarHBondContact O-CG1 3.48Å; G13-I17 PolarHBondContact O-N 3.2Å
14L77.4Confident72.2Confident81 Ų8157.8 Ų57.842%0.42431%0.314SS..Hα-helixtrans-63.8-42.2177.7-73.9171.1000112.2V10 S16 I17 T18 L286V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.26Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.75Å; L14-I17 PolarHBondContact O-N 2.58Å; L14-T18 WeakPolarHBondContact O-CB 3.5Å; L14-T18 PolarHBondContact O-N 3.47Å; L14-T18 PolarHBondContact O-OG1 2.89Å; L14-L286 HydrophobicContact CB-CD1 3.68Å
15A74.4Confident73.1Confident0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-62.1-41.3174.200000111.6Y11 T18 A19 F279 T282 Y283 L286Y11-A15 WeakPolarHBondContact O-CB 3.22Å; Y11-A15 PolarHBondContact O-N 3.13Å; A15-T18 PolarHBondContact O-N 2.95Å; A15-A19 VanDerWaalsContact O-CB 3.26Å; A15-A19 WeakPolarHBondContact O-CB 3.27Å; A15-A19 PolarHBondContact O-N 2.79Å; A15-F279 HydrophobicContact CB-CD2 3.84Å; A15-F279 HydrophobicContact CB-CE2 3.85Å; A15-T282 HydrophobicContact CB-CG2 4.15Å; A15-Y283 HydrophobicContact CB-CD2 4.44Å; A15-L286 HydrophobicContact CB-CD1 4.4Å
16S72.6Confident73.9Confident22 Ų2248.9 Ų48.915%0.15427%0.267CS..Hα-helixtrans-64.4-43.4176.7-62.90000112.6G12 G13 L14 A19 E20 F279G12-S16 VanDerWaalsContact O-CB 3.27Å; G12-S16 WeakPolarHBondContact O-CB 3.04Å; G12-S16 PolarHBondContact O-N 3.14Å; G12-S16 PolarHBondContact O-OG 3.42Å; G13-S16 WeakPolarHBondContact O-CB 3.48Å; G13-S16 PolarHBondContact O-N 2.84Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.75Å; S16-A19 PolarHBondContact O-N 3.06Å; S16-E20 WeakPolarHBondContact O-CB 3.15Å; S16-E20 PolarHBondContact O-N 2.99Å; S16-F279 WeakPolarHBondContact OG-CE2 3.36Å
17I77.1Confident74Confident64 Ų6440.9 Ų40.933%0.32824%0.238SC..Hα-helixtrans-64.8-44.7178.1-68.7165.4000110.1G13 L14 E20 C21 M76G13-I17 WeakPolarHBondContact O-CG1 3.48Å; G13-I17 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 2.58Å; I17-E20 PolarHBondContact O-N 2.65Å; I17-C21 WeakPolarHBondContact O-CB 3.49Å; I17-C21 PolarHBondContact O-N 2.94Å; I17-C21 PolarHBondContact O-SG 3.45Å; I17-M76 HydrophobicContact CD1-CE 4.33Å; I17-M76 HydrophobicContact CG1-CE 4.38Å; I17-M76 HydrophobicContact CG2-CE 3.82Å
18T79.9Confident74Confident66 Ų6636.5 Ų36.541%0.40522%0.219SC..Hα-helixtrans-63.8-43.1178.7-53.90000111.3L14 A15 C21 G22 T282L14-T18 WeakPolarHBondContact O-CB 3.5Å; L14-T18 PolarHBondContact O-N 3.47Å; L14-T18 PolarHBondContact O-OG1 2.89Å; A15-T18 PolarHBondContact O-N 2.95Å; T18-C21 PolarHBondContact O-N 3.46Å; T18-G22 PolarHBondContact O-N 3.32Å; T18-T282 HydrophobicContact CG2-CG2 4.09Å
19A75.9Confident74Confident0 Ų033.5 Ų33.50%020%0.199CC..Hα-helixtrans-61-47.4174.100000111.7A15 S16 C21 G22 T23 I278 F279A15-A19 VanDerWaalsContact O-CB 3.26Å; A15-A19 WeakPolarHBondContact O-CB 3.27Å; A15-A19 PolarHBondContact O-N 2.79Å; S16-A19 PolarHBondContact O-N 3.06Å; A19-C21 PolarHBondContact O-N 2.91Å; A19-G22 PolarHBondContact O-N 2.92Å; A19-T23 WeakPolarHBondContact O-CG2 3.33Å; A19-T23 PolarHBondContact O-N 2.96Å; A19-T23 PolarHBondContact O-OG1 3.34Å; A19-I278 HydrophobicContact CB-CB 4.21Å; A19-I278 HydrophobicContact CB-CG2 4.09Å; A19-F279 HydrophobicContact CB-CB 3.95Å
20E75Confident74Confident14 Ų1428.1 Ų28.17%0.06518%0.176CC..Hα-helixtrans-65.4-38.5179.4-164.9158.3-167.500111.7S16 I17 T23 F24 Q79 K131S16-E20 WeakPolarHBondContact O-CB 3.15Å; S16-E20 PolarHBondContact O-N 2.99Å; I17-E20 PolarHBondContact O-N 2.65Å; E20-T23 PolarHBondContact O-N 2.96Å; E20-F24 WeakPolarHBondContact O-CA 3.2Å; E20-F24 VanDerWaalsContact O-CB 3.22Å; E20-F24 WeakPolarHBondContact O-CB 3.43Å; E20-F24 PolarHBondContact O-N 3.11Å; E20-Q79 PolarHBondContact OE2-OE1 3.43Å; E20-K131 IonicContact OE1-NZ 3.05Å; E20-K131 PolarHBondContact OE1-NZ 3.49Å
21C78.1Confident73.6Confident41 Ų4126 Ų2628%0.27716%0.163SC..Hα-helixtrans-60.5-43.3171.8-75.20000112.6I17 T18 A19I17-C21 WeakPolarHBondContact O-CB 3.49Å; I17-C21 PolarHBondContact O-N 2.94Å; I17-C21 PolarHBondContact O-SG 3.45Å; T18-C21 PolarHBondContact O-N 3.46Å; A19-C21 PolarHBondContact O-N 2.91Å
22G77.1Confident73.1Confident39 Ų3925.4 Ų25.440%0.40216%0.16SC..Hα-helixtrans-71.1-36.2-18000000113.2T18 A19T18-G22 PolarHBondContact O-N 3.32Å; A19-G22 PolarHBondContact O-N 2.92Å
23T74.8Confident72.8Confident1 Ų126.5 Ų26.51%0.00616%0.163CC..Hα-helixtrans-89.8-8178.662.40000113.9A19 E20 P25 I26 D27 P274 W275 I278A19-T23 WeakPolarHBondContact O-CG2 3.33Å; A19-T23 PolarHBondContact O-N 2.96Å; A19-T23 PolarHBondContact O-OG1 3.34Å; E20-T23 PolarHBondContact O-N 2.96Å; T23-P25 VanDerWaalsContact C-CD 3.46Å; T23-I26 WeakPolarHBondContact O-CA 3.46Å; T23-I26 WeakPolarHBondContact O-CB 3.26Å; T23-I26 PolarHBondContact O-N 3.46Å; T23-D27 PolarHBondContact O-N 3.03Å; T23-P274 HydrophobicContact CG2-CB 4.32Å; T23-W275 HydrophobicContact CG2-CB 3.9Å; T23-W275 HydrophobicContact CG2-CG 4.47Å; T23-I278 HydrophobicContact CG2-CD1 3.93Å
24F72.3Confident72Confident0 Ų029 Ų290%017%0.166CC..Hα-helixtrans-54-42.7-177.2-156.6-95.8000113.7E20 I26 D27 L28 L68 Y69 S70 I72 A75E20-F24 WeakPolarHBondContact O-CA 3.2Å; E20-F24 VanDerWaalsContact O-CB 3.22Å; E20-F24 WeakPolarHBondContact O-CB 3.43Å; E20-F24 PolarHBondContact O-N 3.11Å; F24-I26 VanDerWaalsContact C-N 3.28Å; F24-I26 PolarHBondContact O-N 3.49Å; F24-D27 PolarHBondContact O-N 3.46Å; F24-L28 HydrophobicContact CE1-CD1 4.32Å; F24-L28 WeakPolarHBondContact O-CB 3.36Å; F24-L28 PolarHBondContact O-N 2.85Å; F24-L68 WeakPolarHBondContact CD1-O 3.24Å; F24-L68 WeakPolarHBondContact CE1-O 3.22Å; F24-Y69 HydrophobicContact CB-CD1 4.41Å; F24-Y69 HydrophobicContact CB-CE1 4.39Å; F24-Y69 HydrophobicContact CD1-CD1 4.19Å; F24-S70 WeakPolarHBondContact CE1-O 3.38Å; F24-S70 WeakPolarHBondContact CZ-O 3.41Å; F24-I72 HydrophobicContact CD2-CB 4.47Å; F24-I72 HydrophobicContact CD2-CG1 4.43Å; F24-I72 HydrophobicContact CE1-CB 4.35Å; F24-I72 HydrophobicContact CE2-CB 4.18Å; F24-I72 HydrophobicContact CZ-CB 4.13Å; F24-I72 VanDerWaalsContact CZ-N 3.28Å; F24-A75 HydrophobicContact CE2-CB 3.89Å
25P71.8Confident71.1Confident18 Ų1827.8 Ų27.812%0.11716%0.159CC..Hα-helixtrans-62.2-34.8176.3-2435.8000113T23 T29 L56 L68T23-P25 VanDerWaalsContact C-CD 3.46Å; P25-T29 VanDerWaalsContact O-CB 3.28Å; P25-T29 WeakPolarHBondContact O-CB 3.21Å; P25-T29 PolarHBondContact O-N 3.43Å; P25-T29 PolarHBondContact O-OG1 3.23Å; P25-L56 HydrophobicContact CB-CD1 4.08Å; P25-L68 HydrophobicContact CB-CD2 4.4Å
26I74.8Confident69.9Low55 Ų5530.8 Ų30.828%0.28217%0.173SC..Hα-helixtrans-72.2-44.3177.9-58.5173.5000109.8T23 F24 L28 T29 K30 L56 P274T23-I26 WeakPolarHBondContact O-CA 3.46Å; T23-I26 WeakPolarHBondContact O-CB 3.26Å; T23-I26 PolarHBondContact O-N 3.46Å; F24-I26 VanDerWaalsContact C-N 3.28Å; F24-I26 PolarHBondContact O-N 3.49Å; I26-L28 PolarHBondContact O-N 2.96Å; I26-T29 PolarHBondContact O-N 2.87Å; I26-K30 WeakPolarHBondContact O-CB 3.22Å; I26-K30 PolarHBondContact O-N 3.38Å; I26-L56 HydrophobicContact CG1-CD1 4.46Å; I26-P274 HydrophobicContact CD1-CB 4.41Å
27D68.7Low68.7Low14 Ų1432.4 Ų32.48%0.07519%0.193CC..Hα-helixtrans-59-46.4175.7-82.55.6000111.1T23 F24 K30 T31 R271T23-D27 PolarHBondContact O-N 3.03Å; F24-D27 PolarHBondContact O-N 3.46Å; D27-K30 PolarHBondContact O-N 2.93Å; D27-T31 PolarHBondContact O-N 3.5Å; D27-T31 PolarHBondContact O-OG1 3.08Å; D27-T31 VanDerWaalsContact O-OG1 3.06Å; D27-R271 WeakPolarHBondContact OD1-CD 3.45Å; D27-R271 IonicContact OD1-CZ 3.14Å; D27-R271 IonicContact OD1-NE 3.87Å; D27-R271 IonicContact OD1-NH1 3.69Å; D27-R271 PolarHBondContact OD1-NH1 2.98Å; D27-R271 IonicContact OD2-NH1 3.9Å; D27-R271 PolarHBondContact OD2-NH1 3.39Å
28L68.9Low67.3Low0 Ų032.7 Ų32.70%019%0.193CC..Hα-helixtrans-63.5-44.1177.8-176.4137.5000111.8F24 I26 K30 T31 R32 I59 A67 L68F24-L28 HydrophobicContact CE1-CD1 4.32Å; F24-L28 WeakPolarHBondContact O-CB 3.36Å; F24-L28 PolarHBondContact O-N 2.85Å; I26-L28 PolarHBondContact O-N 2.96Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 2.98Å; L28-T31 PolarHBondContact O-N 3.45Å; L28-R32 WeakPolarHBondContact O-CB 3.25Å; L28-R32 WeakPolarHBondContact O-CG 3.27Å; L28-R32 PolarHBondContact O-N 3.1Å; L28-I59 HydrophobicContact CD2-CD1 4Å; L28-I59 HydrophobicContact CD2-CG2 4.25Å; L28-A67 WeakPolarHBondContact CD1-O 3Å; L28-L68 HydrophobicContact CD2-CD2 4.37Å
29T68.1Low65.5Low2 Ų234.5 Ų34.51%0.01220%0.204CC..Hα-helixtrans-60.2-43.9176.3-61.10000111.2P25 I26 R32 L33 M52 A55 L56P25-T29 VanDerWaalsContact O-CB 3.28Å; P25-T29 WeakPolarHBondContact O-CB 3.21Å; P25-T29 PolarHBondContact O-N 3.43Å; P25-T29 PolarHBondContact O-OG1 3.23Å; I26-T29 PolarHBondContact O-N 2.87Å; T29-R32 PolarHBondContact O-N 2.93Å; T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 WeakPolarHBondContact O-CB 3.35Å; T29-L33 WeakPolarHBondContact O-CG 3.32Å; T29-L33 PolarHBondContact O-N 3.04Å; T29-M52 HydrophobicContact CG2-CB 4.27Å; T29-M52 WeakPolarHBondContact CG2-O 3.2Å; T29-A55 HydrophobicContact CG2-CB 3.35Å; T29-L56 HydrophobicContact CG2-CB 4.26Å
30K69.6Low63.8Low26 Ų2642 Ų4211%0.11324%0.244CC..Hα-helixtrans-63-48.9176.6-178.1-172.9173.8-162.60111.3I26 D27 L28 R32 L33 Q34 N268I26-K30 WeakPolarHBondContact O-CB 3.22Å; I26-K30 PolarHBondContact O-N 3.38Å; D27-K30 PolarHBondContact O-N 2.93Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 2.98Å; K30-R32 VanDerWaalsContact C-N 3.29Å; K30-R32 PolarHBondContact O-N 2.92Å; K30-L33 PolarHBondContact O-N 3.35Å; K30-Q34 WeakPolarHBondContact O-CB 3.46Å; K30-Q34 VanDerWaalsContact O-CG 3.32Å; K30-Q34 WeakPolarHBondContact O-CG 3.35Å; K30-Q34 PolarHBondContact O-N 3.07Å; K30-N268 PolarHBondContact NZ-OD1 3.12Å
31T65.2Low62.2Low28 Ų2846.2 Ų46.217%0.17227%0.268CS..Hα-helixtrans-57.1-45.2177.6-60.30000110.4D27 L28 Q34 I35 Q135D27-T31 PolarHBondContact O-N 3.5Å; D27-T31 PolarHBondContact O-OG1 3.08Å; D27-T31 VanDerWaalsContact O-OG1 3.06Å; L28-T31 PolarHBondContact O-N 3.45Å; T31-Q34 PolarHBondContact O-N 2.92Å; T31-I35 HydrophobicContact CG2-CD1 3.82Å; T31-I35 WeakPolarHBondContact O-CD1 3.29Å; T31-I35 WeakPolarHBondContact O-CG1 3.43Å; T31-I35 PolarHBondContact O-N 3.26Å; T31-Q135 HydrophobicContact CG2-CB 3.92Å; T31-Q135 PolarHBondContact OG1-OE1 3.46Å
32R66.1Low60.6Low16 Ų1648.4 Ų48.46%0.0629%0.288CS..Hα-helixtrans-68.9-37.7179.1-72.2-174.3172.8-149.710114.1L28 T29 K30 I35 Q36 E63 Q137L28-R32 WeakPolarHBondContact O-CB 3.25Å; L28-R32 WeakPolarHBondContact O-CG 3.27Å; L28-R32 PolarHBondContact O-N 3.1Å; T29-R32 PolarHBondContact O-N 2.93Å; K30-R32 VanDerWaalsContact C-N 3.29Å; K30-R32 PolarHBondContact O-N 2.92Å; R32-I35 PolarHBondContact O-N 2.95Å; R32-Q36 WeakPolarHBondContact O-CB 3.27Å; R32-Q36 PolarHBondContact O-N 3.45Å; R32-E63 IonicContact CZ-OE1 2.81Å; R32-E63 IonicContact CZ-OE2 3.64Å; R32-E63 IonicContact NH1-OE1 2.69Å; R32-E63 PolarHBondContact NH1-OE1 2.94Å; R32-E63 IonicContact NH1-OE2 2.69Å; R32-E63 PolarHBondContact NH1-OE2 3.34Å; R32-E63 IonicContact NH2-OE1 3.77Å; R32-E63 IonicContact NH2-OE2 3.18Å; R32-E63 PolarHBondContact NH2-OE2 3.48Å; R32-Q137 PolarHBondContact NH2-O 2.93Å
33L66Low58.8Low39 Ų3955.8 Ų55.820%0.20431%0.309CS..Hα-helixtrans-64.9-40.8172.9-85.2166.5000112.2T29 K30 I35 Q36 G37 M52 A55T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 WeakPolarHBondContact O-CB 3.35Å; T29-L33 WeakPolarHBondContact O-CG 3.32Å; T29-L33 PolarHBondContact O-N 3.04Å; K30-L33 PolarHBondContact O-N 3.35Å; L33-I35 PolarHBondContact O-N 2.83Å; L33-Q36 PolarHBondContact O-N 3.48Å; L33-G37 PolarHBondContact O-N 3.49Å; L33-M52 HydrophobicContact CD1-CB 4.15Å; L33-M52 HydrophobicContact CD1-CG 3.54Å; L33-A55 HydrophobicContact CD1-CB 4.11Å; L33-A55 HydrophobicContact CD2-CB 4.48Å; L33-A55 HydrophobicContact CG-CB 4.1Å
34Q57.9Low57.1Low83 Ų8363.6 Ų63.639%0.38834%0.344SS..Hα-helixtrans-63.5-34174.6-74.4-178-20.900111.6K30 T31 Q38K30-Q34 WeakPolarHBondContact O-CB 3.46Å; K30-Q34 VanDerWaalsContact O-CG 3.32Å; K30-Q34 WeakPolarHBondContact O-CG 3.35Å; K30-Q34 PolarHBondContact O-N 3.07Å; T31-Q34 PolarHBondContact O-N 2.92Å; Q34-Q38 WeakPolarHBondContact O-CG 3.28Å
35I60.1Low55.6Low56 Ų5672.7 Ų72.729%0.28738%0.383SS..Hα-helixtrans-74.8-37.9174.1-65.3162.9000111.5T31 R32 L33 G37 Q38 A136T31-I35 HydrophobicContact CG2-CD1 3.82Å; T31-I35 WeakPolarHBondContact O-CD1 3.29Å; T31-I35 WeakPolarHBondContact O-CG1 3.43Å; T31-I35 PolarHBondContact O-N 3.26Å; R32-I35 PolarHBondContact O-N 2.95Å; L33-I35 PolarHBondContact O-N 2.83Å; I35-G37 PolarHBondContact O-N 2.92Å; I35-Q38 VanDerWaalsContact O-CB 3.23Å; I35-Q38 WeakPolarHBondContact O-CB 3.24Å; I35-Q38 PolarHBondContact O-N 2.7Å; I35-A136 HydrophobicContact CD1-CB 3.52Å
36Q48.4Very low54.2Low62 Ų6279.7 Ų79.729%0.2942%0.415SS..Hα-helixtrans-64.8-22.4-179.4-165.8-155.1-36.300113.2R32 L33 Q38 R48 Y49R32-Q36 WeakPolarHBondContact O-CB 3.27Å; R32-Q36 PolarHBondContact O-N 3.45Å; L33-Q36 PolarHBondContact O-N 3.48Å; Q36-Q38 VanDerWaalsContact C-N 3.27Å; Q36-Q38 PolarHBondContact O-N 3.33Å; Q36-R48 HydrophobicContact CG-CB 4.35Å; Q36-Y49 HydrophobicContact CG-CD2 4.39Å; Q36-Y49 PolarHBondContact NE2-O 3.28Å; Q36-Y49 VanDerWaalsContact NE2-O 3.14Å; Q36-Y49 VanDerWaalsContact OE1-CG 3.26Å; Q36-Y49 PolarHBondContact OE1-O 2.85Å
37G47.4Very low53.2Low56 Ų5682.6 Ų82.658%0.57743%0.429SS*.THydrogen-bonded Turntrans-79.5-2.1171.900000114.7L33 I35 T39L33-G37 PolarHBondContact O-N 3.49Å; I35-G37 PolarHBondContact O-N 2.92Å; G37-T39 VanDerWaalsContact C-N 3.34Å; G37-T39 PolarHBondContact O-N 2.89Å; G37-T39 VanDerWaalsContact O-N 3.11Å; G37-T39 PolarHBondContact O-OG1 3.31Å
38Q46.5Very low52.4Low70 Ų7087 Ų8733%0.32745%0.445SS..  trans-90.474.2-176.1-62.4173.6-19.900110Q34 I35 Q36 N40 N230Q34-Q38 WeakPolarHBondContact O-CG 3.28Å; I35-Q38 VanDerWaalsContact O-CB 3.23Å; I35-Q38 WeakPolarHBondContact O-CB 3.24Å; I35-Q38 PolarHBondContact O-N 2.7Å; Q36-Q38 VanDerWaalsContact C-N 3.27Å; Q36-Q38 PolarHBondContact O-N 3.33Å; Q38-N40 PolarHBondContact O-N 3.44Å; Q38-N230 WeakPolarHBondContact CB-ND2 3.37Å; Q38-N230 VanDerWaalsContact CD-OD1 3.3Å; Q38-N230 WeakPolarHBondContact CG-ND2 3.13Å; Q38-N230 PolarHBondContact NE2-ND2 2.9Å; Q38-N230 PolarHBondContact OE1-ND2 3.5Å; Q38-N230 PolarHBondContact OE1-OD1 2.67Å
39T42.6Very low51.8Low104 Ų10487.7 Ų87.764%0.63845%0.448SS*.  trans-72.5106.1-177.2-20.80000111.1G37G37-T39 VanDerWaalsContact C-N 3.34Å; G37-T39 PolarHBondContact O-N 2.89Å; G37-T39 VanDerWaalsContact O-N 3.11Å; G37-T39 PolarHBondContact O-OG1 3.31Å
40N41.1Very low51.3Low157 Ų15797.9 Ų97.984%0.8449%0.486SS*.  trans-1258.9142.3-115.32.9000112.3Q38Q38-N40 PolarHBondContact O-N 3.44Å
41D40.8Very low51.1Low104 Ų10498 Ų9856%0.55649%0.494SS*.  trans-9967.8163-100.2-39.4000109.7K43 F44D41-K43 PolarHBondContact O-N 2.82Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-F44 HydrophobicContact CB-CB 4.39Å; D41-F44 PolarHBondContact O-N 2.88Å
42A44.5Very low51.1Low86 Ų8699.8 Ų99.871%0.71150%0.501SS*.THydrogen-bonded Turntrans-60.9-10.5164.100000112.2
43K38.8Very low51.3Low194 Ų194105.9 Ų105.984%0.84354%0.535SS*.THydrogen-bonded Turntrans-88.7-15.4174.7-81-174.9173.1-177.70114.9D41D41-K43 PolarHBondContact O-N 2.82Å; D41-K43 VanDerWaalsContact O-N 3.11Å
44F40.6Very low51.6Low166 Ų166108.2 Ų108.273%0.72854%0.544SS*.  trans-125.963.4176-75.8-83.2000110.5D41 E46D41-F44 HydrophobicContact CB-CB 4.39Å; D41-F44 PolarHBondContact O-N 2.88Å; F44-E46 PolarHBondContact O-N 2.89Å
45K40.5Very low52.1Low190 Ų190104.2 Ų104.283%0.82653%0.526SS*.  trans-78.451.3178.9-155.5-176.4-172.7-178.10111.6
46E42.5Very low52.6Low166 Ų166104.2 Ų104.278%0.77653%0.526SS*.  trans-95.1117.8160.6-75.3-166176.100108.5F44 R48F44-E46 PolarHBondContact O-N 2.89Å; E46-R48 PolarHBondContact O-N 2.87Å
47I52.3Low54Low116 Ų116105.1 Ų105.160%0.59554%0.535SS*.  trans-64.188.5171.5-58.6170.1000107.1Y49 R50I47-Y49 VanDerWaalsContact C-N 3.28Å; I47-Y49 WeakPolarHBondContact CG2-O 3.25Å; I47-Y49 PolarHBondContact O-N 3.25Å; I47-R50 HydrophobicContact CG2-CG 4.04Å
48R52.9Low55.2Low107 Ų107105.9 Ų105.940%0.40452%0.521SS..SBendtrans-60-35.8-175.7-167.8167180154.52.1112.6Q36 E46 R58 E62Q36-R48 HydrophobicContact CG-CB 4.35Å; E46-R48 PolarHBondContact O-N 2.87Å; R48-R58 WeakPolarHBondContact O-CD 3.42Å; R48-R58 PolarHBondContact O-NH1 2.92Å; R48-E62 IonicContact NH2-OE2 3.98Å; R48-E62 PolarHBondContact NH2-OE2 3.33Å
49Y55.8Low56.3Low14 Ų14102.5 Ų102.56%0.05551%0.505CS..  trans-130126.4172-41.3-67.3000111.1Q36 I47 A55 R58 I59Q36-Y49 HydrophobicContact CG-CD2 4.39Å; Q36-Y49 PolarHBondContact NE2-O 3.28Å; Q36-Y49 VanDerWaalsContact NE2-O 3.14Å; Q36-Y49 VanDerWaalsContact OE1-CG 3.26Å; Q36-Y49 PolarHBondContact OE1-O 2.85Å; I47-Y49 VanDerWaalsContact C-N 3.28Å; I47-Y49 WeakPolarHBondContact CG2-O 3.25Å; I47-Y49 PolarHBondContact O-N 3.25Å; Y49-A55 VanDerWaalsContact CD1-CA 3.45Å; Y49-A55 HydrophobicContact CD1-CB 3.77Å; Y49-A55 HydrophobicContact CD2-CB 4.14Å; Y49-A55 HydrophobicContact CE1-CB 4.45Å; Y49-A55 HydrophobicContact CG-CB 3.6Å; Y49-R58 HydrophobicContact CD1-CB 4.17Å; Y49-R58 HydrophobicContact CD1-CG 4.36Å; Y49-R58 HydrophobicContact CE1-CB 4Å; Y49-R58 HydrophobicContact CE1-CG 3.97Å; Y49-I59 HydrophobicContact CE1-CG1 4.12Å
50R57.8Low57.8Low216 Ų21698.6 Ų98.682%0.81549%0.485SS*.SBendtrans-87.6-9.6179.3-71-178.6170.4-173.5-2.9113.5I47I47-R50 HydrophobicContact CG2-CG 4.04Å
51G64.9Low59.3Low28 Ų28101.5 Ų101.529%0.28948%0.484SS..SBendtrans177.5173.3-179.600000112.6L53 H54 A55G51-L53 PolarHBondContact O-N 3.31Å; G51-H54 PolarHBondContact O-N 3.45Å; G51-A55 WeakPolarHBondContact O-CB 3.14Å; G51-A55 PolarHBondContact O-N 3.48Å
52M65.7Low61Low65 Ų65101 Ų10132%0.3248%0.478SS..Hα-helixtrans-58.5-46.8-177.6-74.6-171-69.900113T29 L33 H54 A55 L56 L270T29-M52 HydrophobicContact CG2-CB 4.27Å; T29-M52 WeakPolarHBondContact CG2-O 3.2Å; L33-M52 HydrophobicContact CD1-CB 4.15Å; L33-M52 HydrophobicContact CD1-CG 3.54Å; M52-H54 PolarHBondContact O-N 2.94Å; M52-A55 PolarHBondContact O-N 2.86Å; M52-L56 WeakPolarHBondContact O-CB 3.28Å; M52-L56 PolarHBondContact O-N 2.94Å; M52-L270 HydrophobicContact CE-CD2 4.37Å
53L70.6Confident62.1Low145 Ų14598.3 Ų98.376%0.75945%0.451SS*.Hα-helixtrans-66.7-39.4179.5-63.6174.4000111.9G51 L56 V57G51-L53 PolarHBondContact O-N 3.31Å; L53-L56 PolarHBondContact O-N 3.04Å; L53-V57 WeakPolarHBondContact O-CG2 3.26Å; L53-V57 PolarHBondContact O-N 3.45Å
54H72.8Confident63.7Low87 Ų8790.4 Ų90.440%0.40343%0.425SS..Hα-helixtrans-66.2-39.7176.9-172.4-89.8000111.8G51 M52 R58G51-H54 PolarHBondContact O-N 3.45Å; M52-H54 PolarHBondContact O-N 2.94Å; H54-R58 WeakPolarHBondContact O-CB 3.2Å; H54-R58 PolarHBondContact O-N 3.4Å
55A67.3Low65.1Low0 Ų088.8 Ų88.80%042%0.424CS..Hα-helixtrans-62.3-46.917300000111.7T29 L33 Y49 G51 M52 V57 R58 I59T29-A55 HydrophobicContact CG2-CB 3.35Å; L33-A55 HydrophobicContact CD1-CB 4.11Å; L33-A55 HydrophobicContact CD2-CB 4.48Å; L33-A55 HydrophobicContact CG-CB 4.1Å; Y49-A55 VanDerWaalsContact CD1-CA 3.45Å; Y49-A55 HydrophobicContact CD1-CB 3.77Å; Y49-A55 HydrophobicContact CD2-CB 4.14Å; Y49-A55 HydrophobicContact CE1-CB 4.45Å; Y49-A55 HydrophobicContact CG-CB 3.6Å; G51-A55 WeakPolarHBondContact O-CB 3.14Å; G51-A55 PolarHBondContact O-N 3.48Å; M52-A55 PolarHBondContact O-N 2.86Å; A55-V57 PolarHBondContact O-N 3.29Å; A55-R58 PolarHBondContact O-N 3.3Å; A55-I59 HydrophobicContact CB-CD1 4.44Å; A55-I59 WeakPolarHBondContact O-CB 3.45Å; A55-I59 VanDerWaalsContact O-CD1 3.3Å; A55-I59 WeakPolarHBondContact O-CD1 3.15Å; A55-I59 WeakPolarHBondContact O-CG1 3.49Å; A55-I59 PolarHBondContact O-N 3.35Å
56L71.8Confident66.5Low55 Ų5589.1 Ų89.129%0.28843%0.425SS..Hα-helixtrans-63.1-46.1-177.5-168.2144.8000111.9P25 I26 T29 M52 L53 G60P25-L56 HydrophobicContact CB-CD1 4.08Å; I26-L56 HydrophobicContact CG1-CD1 4.46Å; T29-L56 HydrophobicContact CG2-CB 4.26Å; M52-L56 WeakPolarHBondContact O-CB 3.28Å; M52-L56 PolarHBondContact O-N 2.94Å; L53-L56 PolarHBondContact O-N 3.04Å; L56-G60 PolarHBondContact O-N 3.2Å
57V75.9Confident67.6Low81 Ų8181.8 Ų81.849%0.49139%0.392SS..Hα-helixtrans-66.2-42.2177.41740000111.5L53 A55 G60 R61L53-V57 WeakPolarHBondContact O-CG2 3.26Å; L53-V57 PolarHBondContact O-N 3.45Å; A55-V57 PolarHBondContact O-N 3.29Å; V57-G60 PolarHBondContact O-N 3.45Å; V57-R61 PolarHBondContact O-N 3.23Å
58R72.8Confident68.3Low72 Ų7276.8 Ų76.827%0.27237%0.367SS..Hα-helixtrans-67.7-42.5-179.1-171.1170.7-173.7168.611.3111.9R48 Y49 H54 A55 R61 E62R48-R58 WeakPolarHBondContact O-CD 3.42Å; R48-R58 PolarHBondContact O-NH1 2.92Å; Y49-R58 HydrophobicContact CD1-CB 4.17Å; Y49-R58 HydrophobicContact CD1-CG 4.36Å; Y49-R58 HydrophobicContact CE1-CB 4Å; Y49-R58 HydrophobicContact CE1-CG 3.97Å; H54-R58 WeakPolarHBondContact O-CB 3.2Å; H54-R58 PolarHBondContact O-N 3.4Å; A55-R58 PolarHBondContact O-N 3.3Å; R58-R61 PolarHBondContact O-N 2.9Å; R58-E62 VanDerWaalsContact CG-CD 3.48Å; R58-E62 HydrophobicContact CG-CG 4.08Å; R58-E62 WeakPolarHBondContact CG-OE1 3.26Å; R58-E62 IonicContact CZ-OE1 2.85Å; R58-E62 IonicContact NE-OE1 2.94Å; R58-E62 PolarHBondContact NE-OE1 2.96Å; R58-E62 IonicContact NE-OE2 3.2Å; R58-E62 PolarHBondContact NE-OE2 3.02Å; R58-E62 IonicContact NH2-OE1 3.2Å; R58-E62 PolarHBondContact NH2-OE1 2.96Å; R58-E62 VanDerWaalsContact NH2-OE1 3.11Å; R58-E62 VanDerWaalsContact O-CB 3.3Å; R58-E62 WeakPolarHBondContact O-CB 2.92Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 3.35Å
59I71.5Confident69.1Low0 Ų076.8 Ų76.80%037%0.368CS..Hα-helixtrans-64.2-44.4175.6-65.4160.9000110.3L28 Y49 A55 R61 E63 G64 L68L28-I59 HydrophobicContact CD2-CD1 4Å; L28-I59 HydrophobicContact CD2-CG2 4.25Å; Y49-I59 HydrophobicContact CE1-CG1 4.12Å; A55-I59 HydrophobicContact CB-CD1 4.44Å; A55-I59 WeakPolarHBondContact O-CB 3.45Å; A55-I59 VanDerWaalsContact O-CD1 3.3Å; A55-I59 WeakPolarHBondContact O-CD1 3.15Å; A55-I59 WeakPolarHBondContact O-CG1 3.49Å; A55-I59 PolarHBondContact O-N 3.35Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.4Å; I59-E63 HydrophobicContact CG2-CB 4.4Å; I59-E63 WeakPolarHBondContact O-CB 3.17Å; I59-E63 PolarHBondContact O-N 2.92Å; I59-G64 PolarHBondContact O-N 3.11Å; I59-L68 HydrophobicContact CB-CD2 4.14Å; I59-L68 HydrophobicContact CG2-CD2 3.66Å; I59-L68 HydrophobicContact CG2-CG 4.3Å
60G72.3Confident69.6Low21 Ų2178 Ų7822%0.21638%0.379CS..Hα-helixtrans-59.8-36.3177.100000113.3L56 V57 G64L56-G60 PolarHBondContact O-N 3.2Å; V57-G60 PolarHBondContact O-N 3.45Å; G60-G64 WeakPolarHBondContact O-CA 3.07Å; G60-G64 PolarHBondContact O-N 3.32Å
61R73.9Confident70Confident218 Ų21868 Ų6882%0.82334%0.342SS*.Hα-helixtrans-83.4-40.7178.6-77.6-174.2174.1-179.1-1.2114.4V57 R58 I59V57-R61 PolarHBondContact O-N 3.23Å; R58-R61 PolarHBondContact O-N 2.9Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.4Å
62E75.1Confident70.4Confident93 Ų9368.6 Ų68.644%0.43534%0.338SS..Hα-helixtrans-86.4-35.7-174.5-68.5-177.417700112.9R48 R58R48-E62 IonicContact NH2-OE2 3.98Å; R48-E62 PolarHBondContact NH2-OE2 3.33Å; R58-E62 VanDerWaalsContact CG-CD 3.48Å; R58-E62 HydrophobicContact CG-CG 4.08Å; R58-E62 WeakPolarHBondContact CG-OE1 3.26Å; R58-E62 IonicContact CZ-OE1 2.85Å; R58-E62 IonicContact NE-OE1 2.94Å; R58-E62 PolarHBondContact NE-OE1 2.96Å; R58-E62 IonicContact NE-OE2 3.2Å; R58-E62 PolarHBondContact NE-OE2 3.02Å; R58-E62 IonicContact NH2-OE1 3.2Å; R58-E62 PolarHBondContact NH2-OE1 2.96Å; R58-E62 VanDerWaalsContact NH2-OE1 3.11Å; R58-E62 VanDerWaalsContact O-CB 3.3Å; R58-E62 WeakPolarHBondContact O-CB 2.92Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 3.35Å
63E68.6Low70.8Confident30 Ų3068 Ų6814%0.1434%0.343CS..THydrogen-bonded Turntrans-113-11-173.7-58.2-176.2-16100113.3R32 I59 A67R32-E63 IonicContact CZ-OE1 2.81Å; R32-E63 IonicContact CZ-OE2 3.64Å; R32-E63 IonicContact NH1-OE1 2.69Å; R32-E63 PolarHBondContact NH1-OE1 2.94Å; R32-E63 IonicContact NH1-OE2 2.69Å; R32-E63 PolarHBondContact NH1-OE2 3.34Å; R32-E63 IonicContact NH2-OE1 3.77Å; R32-E63 IonicContact NH2-OE2 3.18Å; R32-E63 PolarHBondContact NH2-OE2 3.48Å; I59-E63 HydrophobicContact CG2-CB 4.4Å; I59-E63 WeakPolarHBondContact O-CB 3.17Å; I59-E63 PolarHBondContact O-N 2.92Å; E63-A67 HydrophobicContact CB-CB 3.57Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å
64G71.8Confident70.9Confident29 Ų2961 Ų6130%0.29931%0.307SS..  trans85.1161.417800000114.4I59 G60 K66 A67I59-G64 PolarHBondContact O-N 3.11Å; G60-G64 WeakPolarHBondContact O-CA 3.07Å; G60-G64 PolarHBondContact O-N 3.32Å; G64-K66 PolarHBondContact O-N 2.79Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 3.01Å
65L70.9Confident70.8Confident132 Ų13256.9 Ų56.969%0.69129%0.288SS*.THydrogen-bonded Turntrans-61.3-28.6-175.9-66174.4000113.7A67 L68L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 3.42Å; L65-L68 HydrophobicContact CD2-CD1 4.01Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 2.88Å
66K68.8Low71.3Confident197 Ų19760.8 Ų60.886%0.85731%0.307SS*.THydrogen-bonded Turntrans-68.4-29.7175.7-71.6-176.4179.3178.60112.5G64 L68 Y69G64-K66 PolarHBondContact O-N 2.79Å; K66-L68 VanDerWaalsContact C-N 3.29Å; K66-L68 PolarHBondContact O-N 3.29Å; K66-Y69 PolarHBondContact O-N 2.89Å
67A65.4Low71.6Confident11 Ų1162 Ų629%0.09131%0.314CS..G310 helixtrans-69.3-28.9177.700000112.2L28 E63 G64 L65 Y69 S70L28-A67 WeakPolarHBondContact CD1-O 3Å; E63-A67 HydrophobicContact CB-CB 3.57Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 3.01Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 3.42Å; A67-Y69 PolarHBondContact O-N 2.92Å; A67-S70 VanDerWaalsContact O-CB 3.28Å; A67-S70 WeakPolarHBondContact O-CB 3.22Å; A67-S70 PolarHBondContact O-N 3.16Å; A67-S70 VanDerWaalsContact O-N 3.1Å
68L67.6Low71.7Confident12 Ų1260.9 Ų60.96%0.06330%0.3CS..G310 helixtrans-62.1-24.6174-68.2171.3000112.7F24 P25 L28 I59 L65 K66F24-L68 WeakPolarHBondContact CD1-O 3.24Å; F24-L68 WeakPolarHBondContact CE1-O 3.22Å; P25-L68 HydrophobicContact CB-CD2 4.4Å; L28-L68 HydrophobicContact CD2-CD2 4.37Å; I59-L68 HydrophobicContact CB-CD2 4.14Å; I59-L68 HydrophobicContact CG2-CD2 3.66Å; I59-L68 HydrophobicContact CG2-CG 4.3Å; L65-L68 HydrophobicContact CD2-CD1 4.01Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 2.88Å; K66-L68 VanDerWaalsContact C-N 3.29Å; K66-L68 PolarHBondContact O-N 3.29Å
69Y69.8Low71.7Confident106 Ų10660 Ų6042%0.41630%0.299SS..G310 helixtrans-101.79.5177.5-68.5-83.4000113.6F24 K66 A67 G71 I72F24-Y69 HydrophobicContact CB-CD1 4.41Å; F24-Y69 HydrophobicContact CB-CE1 4.39Å; F24-Y69 HydrophobicContact CD1-CD1 4.19Å; K66-Y69 PolarHBondContact O-N 2.89Å; A67-Y69 PolarHBondContact O-N 2.92Å; Y69-G71 PolarHBondContact O-N 2.84Å; Y69-I72 HydrophobicContact CD1-CD1 3.96Å; Y69-I72 WeakPolarHBondContact O-CG2 3.39Å; Y69-I72 PolarHBondContact O-N 2.95Å
70S65.5Low72Confident41 Ų4162.9 Ų62.929%0.28732%0.323SS..THydrogen-bonded Turntrans-63.7119.5175.1-172.70000110.6F24 A67F24-S70 WeakPolarHBondContact CE1-O 3.38Å; F24-S70 WeakPolarHBondContact CZ-O 3.41Å; A67-S70 VanDerWaalsContact O-CB 3.28Å; A67-S70 WeakPolarHBondContact O-CB 3.22Å; A67-S70 PolarHBondContact O-N 3.16Å; A67-S70 VanDerWaalsContact O-N 3.1Å
71G66.3Low72.4Confident4 Ų463.3 Ų63.34%0.04132%0.323CS..THydrogen-bonded Turntrans96.48-177.200000115.3Y69 P74 A75Y69-G71 PolarHBondContact O-N 2.84Å; G71-P74 VanDerWaalsContact O-CD 3.3Å; G71-P74 WeakPolarHBondContact O-CD 3.46Å; G71-P74 VanDerWaalsContact O-CG 3.27Å; G71-P74 WeakPolarHBondContact O-CG 3.44Å; G71-A75 WeakPolarHBondContact O-CB 3.34Å; G71-A75 PolarHBondContact O-N 3.22Å
72I73.4Confident72.5Confident42 Ų4255.4 Ų55.422%0.21529%0.293CS..Hα-helixtrans-65.6-38.3174.4-167.8162.6000112.2F24 Y69 A75 M76F24-I72 HydrophobicContact CD2-CB 4.47Å; F24-I72 HydrophobicContact CD2-CG1 4.43Å; F24-I72 HydrophobicContact CE1-CB 4.35Å; F24-I72 HydrophobicContact CE2-CB 4.18Å; F24-I72 HydrophobicContact CZ-CB 4.13Å; F24-I72 VanDerWaalsContact CZ-N 3.28Å; Y69-I72 HydrophobicContact CD1-CD1 3.96Å; Y69-I72 WeakPolarHBondContact O-CG2 3.39Å; Y69-I72 PolarHBondContact O-N 2.95Å; I72-A75 WeakPolarHBondContact O-CB 3.47Å; I72-A75 PolarHBondContact O-N 3.31Å; I72-A75 VanDerWaalsContact O-N 3.11Å; I72-M76 HydrophobicContact CG1-CG 4.2Å; I72-M76 HydrophobicContact CG1-SD 4.3Å; I72-M76 WeakPolarHBondContact O-CG 3.47Å; I72-M76 PolarHBondContact O-N 3.45Å
73A74.7Confident72.4Confident51 Ų5152.2 Ų52.242%0.42129%0.286SS..Hα-helixtrans-57.8-52.5178.100000113.2A75 M76 L77 M145A73-A75 VanDerWaalsContact C-N 3.29Å; A73-A75 PolarHBondContact O-N 2.88Å; A73-M76 PolarHBondContact O-N 2.95Å; A73-L77 WeakPolarHBondContact O-CB 3.4Å; A73-L77 PolarHBondContact O-N 2.94Å; A73-M145 HydrophobicContact CB-SD 4.27Å
74P71.9Confident73Confident0 Ų055.3 Ų55.30%031%0.307CS..Hα-helixtrans-65.8-30.8173.924.6-33.3000112.3G71 L77 R78 T127 L130 K131 M134 M145G71-P74 VanDerWaalsContact O-CD 3.3Å; G71-P74 WeakPolarHBondContact O-CD 3.46Å; G71-P74 VanDerWaalsContact O-CG 3.27Å; G71-P74 WeakPolarHBondContact O-CG 3.44Å; P74-L77 PolarHBondContact O-N 3.49Å; P74-R78 VanDerWaalsContact O-CB 3.31Å; P74-R78 WeakPolarHBondContact O-CB 3.38Å; P74-R78 PolarHBondContact O-N 3.41Å; P74-T127 HydrophobicContact CB-CG2 4.11Å; P74-T127 WeakPolarHBondContact O-CG2 3.26Å; P74-L130 HydrophobicContact CB-CB 4.18Å; P74-K131 HydrophobicContact CB-CB 4.26Å; P74-K131 HydrophobicContact CG-CB 4.35Å; P74-M134 HydrophobicContact CG-SD 3.86Å; P74-M145 HydrophobicContact CB-SD 4.34Å
75A72.5Confident73.5Confident0 Ų055.8 Ų55.80%030%0.302CS..Hα-helixtrans-63.3-45.617500000112.5F24 G71 I72 A73 R78 Q79 K131F24-A75 HydrophobicContact CE2-CB 3.89Å; G71-A75 WeakPolarHBondContact O-CB 3.34Å; G71-A75 PolarHBondContact O-N 3.22Å; I72-A75 WeakPolarHBondContact O-CB 3.47Å; I72-A75 PolarHBondContact O-N 3.31Å; I72-A75 VanDerWaalsContact O-N 3.11Å; A73-A75 VanDerWaalsContact C-N 3.29Å; A73-A75 PolarHBondContact O-N 2.88Å; A75-R78 WeakPolarHBondContact O-CB 3.4Å; A75-R78 PolarHBondContact O-N 3.47Å; A75-Q79 PolarHBondContact O-N 2.88Å; A75-K131 HydrophobicContact CB-CD 3.9Å
76M76.4Confident73.8Confident81 Ų8153 Ų5340%0.39928%0.284SS..Hα-helixtrans-65.6-43176.3-68.6-173.174.300111.9I17 I72 A73 R78 Q79 A80I17-M76 HydrophobicContact CD1-CE 4.33Å; I17-M76 HydrophobicContact CG1-CE 4.38Å; I17-M76 HydrophobicContact CG2-CE 3.82Å; I72-M76 HydrophobicContact CG1-CG 4.2Å; I72-M76 HydrophobicContact CG1-SD 4.3Å; I72-M76 WeakPolarHBondContact O-CG 3.47Å; I72-M76 PolarHBondContact O-N 3.45Å; A73-M76 PolarHBondContact O-N 2.95Å; M76-R78 PolarHBondContact O-N 2.85Å; M76-Q79 WeakPolarHBondContact O-CB 3.32Å; M76-Q79 PolarHBondContact O-N 3.39Å; M76-Q79 VanDerWaalsContact O-N 3.17Å; M76-A80 PolarHBondContact O-N 3.06Å
77L79.4Confident74.2Confident82 Ų8247.1 Ų47.143%0.42926%0.262SS..Hα-helixtrans-59.8-39.2175.8-17664.2000111.3A73 P74 S81 T127 M145A73-L77 WeakPolarHBondContact O-CB 3.4Å; A73-L77 PolarHBondContact O-N 2.94Å; P74-L77 PolarHBondContact O-N 3.49Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 3.03Å; L77-S81 PolarHBondContact O-OG 3.25Å; L77-T127 HydrophobicContact CB-CG2 4.05Å; L77-T127 HydrophobicContact CD2-CG2 4.15Å; L77-T127 HydrophobicContact CG-CG2 4.17Å; L77-M145 HydrophobicContact CD2-CE 3.87Å; L77-M145 HydrophobicContact CD2-SD 4.23Å
78R77.1Confident75Confident57 Ų5748.2 Ų48.222%0.21527%0.274CS..Hα-helixtrans-64-47.2174.7-172.3-15972.187.23.6111P74 A75 M76 A80 S81 Y82 T127 D128P74-R78 VanDerWaalsContact O-CB 3.31Å; P74-R78 WeakPolarHBondContact O-CB 3.38Å; P74-R78 PolarHBondContact O-N 3.41Å; A75-R78 WeakPolarHBondContact O-CB 3.4Å; A75-R78 PolarHBondContact O-N 3.47Å; M76-R78 PolarHBondContact O-N 2.85Å; R78-A80 VanDerWaalsContact C-N 3.33Å; R78-A80 PolarHBondContact O-N 3.01Å; R78-S81 WeakPolarHBondContact CA-OG 3.33Å; R78-S81 PolarHBondContact O-N 2.89Å; R78-S81 PolarHBondContact O-OG 2.93Å; R78-Y82 WeakPolarHBondContact O-CB 3.46Å; R78-Y82 PolarHBondContact O-N 2.7Å; R78-T127 HydrophobicContact CB-CG2 3.76Å; R78-D128 WeakPolarHBondContact CD-OD1 3.48Å
79Q73.6Confident75.6Confident52 Ų5248.9 Ų48.924%0.24328%0.278CS..Hα-helixtrans-57.7-47.3179.5-16088.8-14.600110.9E20 A75 M76 G83E20-Q79 PolarHBondContact OE2-OE1 3.43Å; A75-Q79 PolarHBondContact O-N 2.88Å; M76-Q79 WeakPolarHBondContact O-CB 3.32Å; M76-Q79 PolarHBondContact O-N 3.39Å; M76-Q79 VanDerWaalsContact O-N 3.17Å; Q79-G83 PolarHBondContact O-N 2.87Å
80A77.3Confident76.1Confident61 Ų6146.9 Ų46.950%0.50427%0.271SS..Hα-helixtrans-66.6-47-179.500000112.7M76 R78 T84M76-A80 PolarHBondContact O-N 3.06Å; R78-A80 VanDerWaalsContact C-N 3.33Å; R78-A80 PolarHBondContact O-N 3.01Å; A80-T84 WeakPolarHBondContact O-CB 3.44Å; A80-T84 PolarHBondContact O-N 3.35Å; A80-T84 PolarHBondContact O-OG1 3.37Å
81S79.4Confident76.8Confident30 Ų3049.7 Ų49.721%0.2128%0.279CS..Hα-helixtrans-69.6-49.8-179.454.10000112L77 R78 G83 T84 I85L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 3.03Å; L77-S81 PolarHBondContact O-OG 3.25Å; R78-S81 WeakPolarHBondContact CA-OG 3.33Å; R78-S81 PolarHBondContact O-N 2.89Å; R78-S81 PolarHBondContact O-OG 2.93Å; S81-G83 PolarHBondContact O-N 3.47Å; S81-T84 PolarHBondContact O-N 3.05Å; S81-I85 WeakPolarHBondContact O-CB 3.42Å; S81-I85 WeakPolarHBondContact O-CD1 3.35Å; S81-I85 WeakPolarHBondContact O-CG1 3.48Å; S81-I85 PolarHBondContact O-N 3.48Å
82Y77.9Confident77.6Confident52 Ų5252.9 Ų52.920%0.20430%0.301CS..Hα-helixtrans-61.6-45.5-177-176.1-97.4000111.9R78 K86 S120 A124R78-Y82 WeakPolarHBondContact O-CB 3.46Å; R78-Y82 PolarHBondContact O-N 2.7Å; Y82-K86 HydrophobicContact CE1-CD 3.93Å; Y82-K86 WeakPolarHBondContact O-CB 3.29Å; Y82-K86 PolarHBondContact O-N 3.3Å; Y82-S120 WeakPolarHBondContact CE2-OG 3.17Å; Y82-A124 HydrophobicContact CD2-CB 4.21Å
83G72.8Confident78.1Confident27 Ų2752 Ų5228%0.27830%0.297SS..Hα-helixtrans-62.2-48178.900000112.5Q79 S81 K86 I87Q79-G83 PolarHBondContact O-N 2.87Å; S81-G83 PolarHBondContact O-N 3.47Å; G83-K86 PolarHBondContact O-N 3.24Å; G83-I87 WeakPolarHBondContact O-CG1 3.38Å; G83-I87 PolarHBondContact O-N 2.83Å
84T79.6Confident78.2Confident95 Ų9552.1 Ų52.158%0.58329%0.287SS*.Hα-helixtrans-64.5-46.7-178.7-52.40000111.6A80 S81 G88A80-T84 WeakPolarHBondContact O-CB 3.44Å; A80-T84 PolarHBondContact O-N 3.35Å; A80-T84 PolarHBondContact O-OG1 3.37Å; S81-T84 PolarHBondContact O-N 3.05Å; T84-G88 PolarHBondContact O-N 2.69Å
85I82.8Confident78.6Confident38 Ų3861.5 Ų61.520%0.19532%0.323CS..Hα-helixtrans-67.3-43.4-179.5-62.9162.5000110.2S81 I87 G88 T89 I123S81-I85 WeakPolarHBondContact O-CB 3.42Å; S81-I85 WeakPolarHBondContact O-CD1 3.35Å; S81-I85 WeakPolarHBondContact O-CG1 3.48Å; S81-I85 PolarHBondContact O-N 3.48Å; I85-I87 PolarHBondContact O-N 2.9Å; I85-G88 PolarHBondContact O-N 3.49Å; I85-T89 VanDerWaalsContact O-CB 3.28Å; I85-T89 WeakPolarHBondContact O-CB 3.12Å; I85-T89 PolarHBondContact O-N 3.02Å; I85-T89 PolarHBondContact O-OG1 3.36Å; I85-I123 HydrophobicContact CD1-CB 3.97Å; I85-I123 HydrophobicContact CD1-CG2 3.5Å; I85-I123 VanDerWaalsContact CD1-CG2 3.5Å; I85-I123 HydrophobicContact CG2-CD1 4.01Å
86K76.8Confident78.9Confident73 Ų7367.9 Ų67.932%0.31736%0.356SS..Hα-helixtrans-58.7-48.5178.7-177.7178177.9-179.10111.2Y82 G83 Y90Y82-K86 HydrophobicContact CE1-CD 3.93Å; Y82-K86 WeakPolarHBondContact O-CB 3.29Å; Y82-K86 PolarHBondContact O-N 3.3Å; G83-K86 PolarHBondContact O-N 3.24Å; K86-Y90 WeakPolarHBondContact O-CB 3.4Å; K86-Y90 PolarHBondContact O-N 2.79Å
87I78.4Confident78.7Confident75 Ų7569.7 Ų69.739%0.38536%0.362SS..Hα-helixtrans-66-46.7179.3-66.2170.1000110.7F9 G83 I85 Y90 Q91F9-I87 HydrophobicContact CE2-CD1 3.98Å; G83-I87 WeakPolarHBondContact O-CG1 3.38Å; G83-I87 PolarHBondContact O-N 2.83Å; I85-I87 PolarHBondContact O-N 2.9Å; I87-Y90 PolarHBondContact O-N 3.16Å; I87-Q91 HydrophobicContact CG2-CG 4.42Å; I87-Q91 WeakPolarHBondContact O-CB 3.4Å; I87-Q91 WeakPolarHBondContact O-CG 3.42Å; I87-Q91 PolarHBondContact O-N 3.32Å
88G81Confident78.3Confident33 Ų3366.7 Ų66.734%0.3435%0.347SS..Hα-helixtrans-59.8-51.4179.600000112.1T84 I85 Y90 Q91 S92T84-G88 PolarHBondContact O-N 2.69Å; I85-G88 PolarHBondContact O-N 3.49Å; G88-Y90 PolarHBondContact O-N 3.08Å; G88-Q91 PolarHBondContact O-N 2.84Å; G88-S92 WeakPolarHBondContact O-CB 3.42Å; G88-S92 PolarHBondContact O-N 3.08Å; G88-S92 PolarHBondContact O-OG 2.81Å; G88-S92 VanDerWaalsContact O-OG 3.12Å
89T82Confident77.6Confident26 Ų2672.6 Ų72.616%0.1638%0.377CS..Hα-helixtrans-64.1-40177.4-54.80000111.8I85 S92 L93 I119I85-T89 VanDerWaalsContact O-CB 3.28Å; I85-T89 WeakPolarHBondContact O-CB 3.12Å; I85-T89 PolarHBondContact O-N 3.02Å; I85-T89 PolarHBondContact O-OG1 3.36Å; T89-S92 PolarHBondContact O-N 3.32Å; T89-L93 HydrophobicContact CG2-CD1 3.85Å; T89-L93 HydrophobicContact CG2-CG 4.24Å; T89-L93 WeakPolarHBondContact O-CB 2.9Å; T89-L93 VanDerWaalsContact O-CG 3.26Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 2.86Å; T89-I119 HydrophobicContact CG2-CB 4.13Å; T89-I119 HydrophobicContact CG2-CD1 3.66Å; T89-I119 HydrophobicContact CG2-CG1 4.5Å; T89-I119 HydrophobicContact CG2-CG2 4.13Å
90Y79.9Confident77.1Confident65 Ų6578.7 Ų78.726%0.25540%0.398SS..Hα-helixtrans-61.1-46.1176.4178.9-97000111.6K86 I87 G88 L93 K94 N109 C112K86-Y90 WeakPolarHBondContact O-CB 3.4Å; K86-Y90 PolarHBondContact O-N 2.79Å; I87-Y90 PolarHBondContact O-N 3.16Å; G88-Y90 PolarHBondContact O-N 3.08Å; Y90-L93 PolarHBondContact O-N 3.42Å; Y90-K94 HydrophobicContact CE1-CD 4.08Å; Y90-K94 VanDerWaalsContact O-CB 3.28Å; Y90-K94 WeakPolarHBondContact O-CB 3.24Å; Y90-K94 PolarHBondContact O-N 2.94Å; Y90-N109 PolarHBondContact OH-OD1 3.48Å; Y90-C112 HydrophobicContact CD2-CB 4.15Å; Y90-C112 HydrophobicContact CE2-CB 4.04Å
91Q80.6Confident76.4Confident100 Ų10081 Ų8147%0.46741%0.408SS..Hα-helixtrans-66.3-41.4177.8-72.3-179.5500112.4I87 G88 K94 R95I87-Q91 HydrophobicContact CG2-CG 4.42Å; I87-Q91 WeakPolarHBondContact O-CB 3.4Å; I87-Q91 WeakPolarHBondContact O-CG 3.42Å; I87-Q91 PolarHBondContact O-N 3.32Å; G88-Q91 PolarHBondContact O-N 2.84Å; Q91-K94 PolarHBondContact O-N 3.29Å; Q91-R95 WeakPolarHBondContact O-CB 3.33Å; Q91-R95 VanDerWaalsContact O-CG 3.32Å; Q91-R95 WeakPolarHBondContact O-CG 3.37Å; Q91-R95 PolarHBondContact O-N 2.82Å
92S83.1Confident75.4Confident71 Ų7188.4 Ų88.450%0.49744%0.439SS..Hα-helixtrans-62-45.1175.6-65.90000112G88 T89 R95 L96G88-S92 WeakPolarHBondContact O-CB 3.42Å; G88-S92 PolarHBondContact O-N 3.08Å; G88-S92 PolarHBondContact O-OG 2.81Å; G88-S92 VanDerWaalsContact O-OG 3.12Å; T89-S92 PolarHBondContact O-N 3.32Å; S92-R95 PolarHBondContact O-N 3.47Å; S92-L96 WeakPolarHBondContact O-CG 3.19Å; S92-L96 PolarHBondContact O-N 3.47Å; S92-L96 VanDerWaalsContact O-N 3.16Å
93L82.6Confident74.6Confident24 Ų2490.6 Ų90.613%0.12645%0.454CS..Hα-helixtrans-65.2-42.7176.5-72.7171.6000111.6T89 Y90 R95 L96 F97 C112 L115T89-L93 HydrophobicContact CG2-CD1 3.85Å; T89-L93 HydrophobicContact CG2-CG 4.24Å; T89-L93 WeakPolarHBondContact O-CB 2.9Å; T89-L93 VanDerWaalsContact O-CG 3.26Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 2.86Å; Y90-L93 PolarHBondContact O-N 3.42Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 2.92Å; L93-L96 PolarHBondContact O-N 3.34Å; L93-L96 VanDerWaalsContact O-N 3.11Å; L93-F97 WeakPolarHBondContact O-CD2 3.06Å; L93-F97 PolarHBondContact O-N 2.93Å; L93-C112 HydrophobicContact CB-CB 4.25Å; L93-L115 HydrophobicContact CD1-CB 3.55Å; L93-L115 HydrophobicContact CD1-CD1 4.41Å
94K77.2Confident74.4Confident52 Ų5293.1 Ų93.123%0.22646%0.459CS..Hα-helixtrans-62.9-39.3178.3-165.1171.3-174.9177.20111.8Y90 Q91 L96 F97 V98 E104Y90-K94 HydrophobicContact CE1-CD 4.08Å; Y90-K94 VanDerWaalsContact O-CB 3.28Å; Y90-K94 WeakPolarHBondContact O-CB 3.24Å; Y90-K94 PolarHBondContact O-N 2.94Å; Q91-K94 PolarHBondContact O-N 3.29Å; K94-L96 VanDerWaalsContact C-N 3.29Å; K94-L96 PolarHBondContact O-N 3.14Å; K94-F97 PolarHBondContact O-N 3.07Å; K94-V98 HydrophobicContact CG-CB 4.42Å; K94-V98 HydrophobicContact CG-CG2 4.28Å; K94-V98 WeakPolarHBondContact O-CA 3.27Å; K94-V98 WeakPolarHBondContact O-CB 3.1Å; K94-V98 PolarHBondContact O-N 3.14Å; K94-E104 VanDerWaalsContact CE-OE2 3.29Å; K94-E104 WeakPolarHBondContact CE-OE2 3.16Å; K94-E104 IonicContact NZ-OE1 3.73Å; K94-E104 PolarHBondContact NZ-OE1 3.27Å; K94-E104 IonicContact NZ-OE2 2.67Å; K94-E104 PolarHBondContact NZ-OE2 3.33Å
95R79.4Confident74.2Confident198 Ų19892 Ų9275%0.74745%0.452SS*.Hα-helixtrans-66.3-27.9174.3-74.6178.8-176.4-178.12.9113.8Q91 S92 L93Q91-R95 WeakPolarHBondContact O-CB 3.33Å; Q91-R95 VanDerWaalsContact O-CG 3.32Å; Q91-R95 WeakPolarHBondContact O-CG 3.37Å; Q91-R95 PolarHBondContact O-N 2.82Å; S92-R95 PolarHBondContact O-N 3.47Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 2.92Å
96L79.4Confident73.6Confident133 Ų13393.5 Ų93.570%0.69646%0.46SS*.Hα-helixtrans-81.5-33.2177.4-74.2166.6000112.7S92 L93 K94S92-L96 WeakPolarHBondContact O-CG 3.19Å; S92-L96 PolarHBondContact O-N 3.47Å; S92-L96 VanDerWaalsContact O-N 3.16Å; L93-L96 PolarHBondContact O-N 3.34Å; L93-L96 VanDerWaalsContact O-N 3.11Å; K94-L96 VanDerWaalsContact C-N 3.29Å; K94-L96 PolarHBondContact O-N 3.14Å
97F73.1Confident73.6Confident119 Ų11995.8 Ų95.852%0.52248%0.475SS..Hα-helixtrans-98.8-20.6-175.8-84.2-85.1000114.5L93 K94 I108L93-F97 WeakPolarHBondContact O-CD2 3.06Å; L93-F97 PolarHBondContact O-N 2.93Å; K94-F97 PolarHBondContact O-N 3.07Å; F97-I108 HydrophobicContact CB-CG2 3.97Å
98V70.2Confident73.7Confident20 Ų2093.8 Ų93.812%0.12147%0.465CS..  trans-126.594-177-174.30000108.8K94 R100 E104 I108K94-V98 HydrophobicContact CG-CB 4.42Å; K94-V98 HydrophobicContact CG-CG2 4.28Å; K94-V98 WeakPolarHBondContact O-CA 3.27Å; K94-V98 WeakPolarHBondContact O-CB 3.1Å; K94-V98 PolarHBondContact O-N 3.14Å; V98-R100 WeakPolarHBondContact CG1-O 3.44Å; V98-E104 HydrophobicContact CG1-CB 4.38Å; V98-I108 HydrophobicContact CG2-CG2 3.75Å
99E63.7Low73.7Confident180 Ų18093.3 Ų93.384%0.84145%0.454SS*.SBendtrans-81.1-26.3174.6-67.9-174154.600112.1
100R62.8Low73.6Confident180 Ų18093.1 Ų93.168%0.67945%0.453SS*.SBendtrans-127.6138.4178.2-64.4-178.4-178.7-175.91.1110.9V98 E102 D103V98-R100 WeakPolarHBondContact CG1-O 3.44Å; R100-E102 PolarHBondContact O-N 3.09Å; R100-E102 VanDerWaalsContact O-N 3.08Å; R100-D103 PolarHBondContact O-N 3.48Å; R100-D103 VanDerWaalsContact O-N 3.16Å
101P61.7Low73.8Confident111 Ų11193.4 Ų93.472%0.72146%0.459SS*.G310 helixtrans-64-14.7-178.324.4-32.4000114.2
102E59.5Low74Confident185 Ų18588.7 Ų88.786%0.86444%0.436SS*.G310 helixtrans-78.6-21.6177.8-59.5-173.2-177.300113.3R100 E104R100-E102 PolarHBondContact O-N 3.09Å; R100-E102 VanDerWaalsContact O-N 3.08Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 PolarHBondContact O-N 3.37Å
103D61.3Low74Confident97 Ų9785.4 Ų85.452%0.51941%0.414SS..G310 helixtrans-87.14.4176.8-66.3-45.2000112.7R100 T105R100-D103 PolarHBondContact O-N 3.48Å; R100-D103 VanDerWaalsContact O-N 3.16Å; D103-T105 VanDerWaalsContact C-N 3.32Å; D103-T105 PolarHBondContact O-N 3.32Å
104E66.9Low74.1Confident80 Ų8086.6 Ų86.637%0.37442%0.42SS..  trans-70.886.2-179.9-169.2172.6162.900111.2K94 V98 E102 N109K94-E104 VanDerWaalsContact CE-OE2 3.29Å; K94-E104 WeakPolarHBondContact CE-OE2 3.16Å; K94-E104 IonicContact NZ-OE1 3.73Å; K94-E104 PolarHBondContact NZ-OE1 3.27Å; K94-E104 IonicContact NZ-OE2 2.67Å; K94-E104 PolarHBondContact NZ-OE2 3.33Å; V98-E104 HydrophobicContact CG1-CB 4.38Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 PolarHBondContact O-N 3.37Å; E104-N109 PolarHBondContact OE1-ND2 3.03Å; E104-N109 PolarHBondContact OE1-OD1 3.45Å
105T75.9Confident74.5Confident72 Ų7287.4 Ų87.444%0.44243%0.426SS..  trans-87.7147.5172.359.50000111.4D103 L107 I108 N109D103-T105 VanDerWaalsContact C-N 3.32Å; D103-T105 PolarHBondContact O-N 3.32Å; T105-L107 PolarHBondContact O-N 3.03Å; T105-L107 VanDerWaalsContact O-N 3.14Å; T105-I108 PolarHBondContact O-N 3.47Å; T105-I108 VanDerWaalsContact O-N 3.07Å; T105-I108 WeakPolarHBondContact OG1-CD1 3.22Å; T105-I108 VanDerWaalsContact OG1-CG1 3.27Å; T105-I108 WeakPolarHBondContact OG1-CG1 3.48Å; T105-I108 PolarHBondContact OG1-N 2.87Å; T105-N109 PolarHBondContact O-N 3.49Å; T105-N109 VanDerWaalsContact O-N 3.14Å
106L71.3Confident74.7Confident69 Ų6978 Ų7836%0.36139%0.391SS..Hα-helixtrans-54.4-34.6174.8-62.2-173.7000111.9N109 V110 D184L106-N109 PolarHBondContact O-N 3.34Å; L106-V110 WeakPolarHBondContact O-CG2 3.06Å; L106-V110 PolarHBondContact O-N 2.96Å; L106-D184 HydrophobicContact CD1-CB 3.84Å; L106-D184 HydrophobicContact CD2-CB 4.46Å; L106-D184 WeakPolarHBondContact CD2-OD2 3.26Å
107L76.1Confident74.9Confident121 Ų12171.7 Ų71.763%0.63436%0.358SS*.Hα-helixtrans-66-41.5179.3-166.5133.4000112T105 V110 I111T105-L107 PolarHBondContact O-N 3.03Å; T105-L107 VanDerWaalsContact O-N 3.14Å; L107-V110 PolarHBondContact O-N 2.86Å; L107-I111 HydrophobicContact CD2-CD1 3.54Å; L107-I111 HydrophobicContact CG-CD1 4.31Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.2Å; L107-I111 PolarHBondContact O-N 3.33Å
108I80.3Confident75.4Confident34 Ų3468.1 Ų68.117%0.17435%0.346CS..Hα-helixtrans-65.3-42174.7-67.6168.4000110.6F97 V98 T105 V110 I111 C112F97-I108 HydrophobicContact CB-CG2 3.97Å; V98-I108 HydrophobicContact CG2-CG2 3.75Å; T105-I108 PolarHBondContact O-N 3.47Å; T105-I108 VanDerWaalsContact O-N 3.07Å; T105-I108 WeakPolarHBondContact OG1-CD1 3.22Å; T105-I108 VanDerWaalsContact OG1-CG1 3.27Å; T105-I108 WeakPolarHBondContact OG1-CG1 3.48Å; T105-I108 PolarHBondContact OG1-N 2.87Å; I108-V110 VanDerWaalsContact C-N 3.33Å; I108-V110 PolarHBondContact O-N 2.65Å; I108-I111 PolarHBondContact O-N 2.88Å; I108-C112 WeakPolarHBondContact O-CB 3.3Å; I108-C112 PolarHBondContact O-N 2.99Å; I108-C112 PolarHBondContact O-SG 3.49Å
109N79.9Confident76.2Confident22 Ų2270.4 Ų70.412%0.11836%0.357CS..Hα-helixtrans-62.2-40.3176.9-81.6-22.3000112.4Y90 E104 T105 L106 G113Y90-N109 PolarHBondContact OH-OD1 3.48Å; E104-N109 PolarHBondContact OE1-ND2 3.03Å; E104-N109 PolarHBondContact OE1-OD1 3.45Å; T105-N109 PolarHBondContact O-N 3.49Å; T105-N109 VanDerWaalsContact O-N 3.14Å; L106-N109 PolarHBondContact O-N 3.34Å; N109-G113 PolarHBondContact O-N 3.28Å
110V81.4Confident77Confident22 Ų2261.9 Ų61.913%0.13332%0.317CS..Hα-helixtrans-65-47.1175171.30000111L106 L107 I108 G113 I114 L180 P181L106-V110 WeakPolarHBondContact O-CG2 3.06Å; L106-V110 PolarHBondContact O-N 2.96Å; L107-V110 PolarHBondContact O-N 2.86Å; I108-V110 VanDerWaalsContact C-N 3.33Å; I108-V110 PolarHBondContact O-N 2.65Å; V110-G113 PolarHBondContact O-N 2.91Å; V110-I114 HydrophobicContact CG1-CD1 3.76Å; V110-I114 HydrophobicContact CG1-CG1 4.4Å; V110-I114 VanDerWaalsContact O-CG1 3.31Å; V110-I114 WeakPolarHBondContact O-CG1 3.42Å; V110-I114 PolarHBondContact O-N 3.03Å; V110-L180 HydrophobicContact CG2-CB 3.94Å; V110-L180 HydrophobicContact CG2-CD1 4.39Å; V110-P181 HydrophobicContact CG2-CG 3.77Å
111I84.4Confident77.9Confident72 Ų7253.5 Ų53.537%0.36929%0.286SS..Hα-helixtrans-61.9-47.3178.5-69.9169.9000110.8L107 I108 G113 I114 L115L107-I111 HydrophobicContact CD2-CD1 3.54Å; L107-I111 HydrophobicContact CG-CD1 4.31Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.2Å; L107-I111 PolarHBondContact O-N 3.33Å; I108-I111 PolarHBondContact O-N 2.88Å; I111-G113 VanDerWaalsContact C-N 3.28Å; I111-G113 PolarHBondContact O-N 3.34Å; I111-I114 PolarHBondContact O-N 2.98Å; I111-L115 HydrophobicContact CG2-CD1 3.83Å; I111-L115 HydrophobicContact CG2-CG 4.37Å; I111-L115 WeakPolarHBondContact O-CB 3.28Å; I111-L115 WeakPolarHBondContact O-CG 3.44Å; I111-L115 PolarHBondContact O-N 3.2Å
112C83.3Confident78.9Confident0 Ų050.6 Ų50.60%027%0.266CS..Hα-helixtrans-61.1-39175.9-68.10000111.4Y90 L93 I108 S116Y90-C112 HydrophobicContact CD2-CB 4.15Å; Y90-C112 HydrophobicContact CE2-CB 4.04Å; L93-C112 HydrophobicContact CB-CB 4.25Å; I108-C112 WeakPolarHBondContact O-CB 3.3Å; I108-C112 PolarHBondContact O-N 2.99Å; I108-C112 PolarHBondContact O-SG 3.49Å; C112-S116 VanDerWaalsContact O-CB 3.23Å; C112-S116 WeakPolarHBondContact O-CB 3.49Å; C112-S116 PolarHBondContact O-N 2.94Å; C112-S116 PolarHBondContact O-OG 3.35Å
113G83.1Confident80Confident2 Ų246.5 Ų46.52%0.02125%0.249CC..Hα-helixtrans-63-46174.900000112.8N109 V110 I111 S116 G117N109-G113 PolarHBondContact O-N 3.28Å; V110-G113 PolarHBondContact O-N 2.91Å; I111-G113 VanDerWaalsContact C-N 3.28Å; I111-G113 PolarHBondContact O-N 3.34Å; G113-S116 WeakPolarHBondContact CA-OG 3.13Å; G113-S116 PolarHBondContact O-OG 2.88Å; G113-G117 PolarHBondContact O-N 3.46Å
114I84.6Confident80.9Confident49 Ų4942 Ų4225%0.25123%0.225SC..Hα-helixtrans-64.7-49.9178.1-70.3168.8000110.2V110 I111 S116 G117 V118 A173 V176V110-I114 HydrophobicContact CG1-CD1 3.76Å; V110-I114 HydrophobicContact CG1-CG1 4.4Å; V110-I114 VanDerWaalsContact O-CG1 3.31Å; V110-I114 WeakPolarHBondContact O-CG1 3.42Å; V110-I114 PolarHBondContact O-N 3.03Å; I111-I114 PolarHBondContact O-N 2.98Å; I114-S116 PolarHBondContact O-N 3.38Å; I114-G117 PolarHBondContact O-N 3.33Å; I114-V118 HydrophobicContact CG2-CG2 4.42Å; I114-V118 VanDerWaalsContact O-CG2 3.31Å; I114-V118 WeakPolarHBondContact O-CG2 3.37Å; I114-V118 PolarHBondContact O-N 2.87Å; I114-A173 HydrophobicContact CG2-CB 3.73Å; I114-V176 HydrophobicContact CG1-CB 4.44Å; I114-V176 HydrophobicContact CG1-CG1 4.45Å
115L86.9Confident81.6Confident70 Ų7038.2 Ų38.237%0.36621%0.207SC..Hα-helixtrans-61.7-46.4-179.4-72.2173.9000111.8L93 I111 G117 V118 I119L93-L115 HydrophobicContact CD1-CB 3.55Å; L93-L115 HydrophobicContact CD1-CD1 4.41Å; I111-L115 HydrophobicContact CG2-CD1 3.83Å; I111-L115 HydrophobicContact CG2-CG 4.37Å; I111-L115 WeakPolarHBondContact O-CB 3.28Å; I111-L115 WeakPolarHBondContact O-CG 3.44Å; I111-L115 PolarHBondContact O-N 3.2Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 2.88Å; L115-V118 PolarHBondContact O-N 2.72Å; L115-I119 WeakPolarHBondContact O-CB 3.34Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.48Å; L115-I119 PolarHBondContact O-N 3.45Å
116S83.6Confident81.7Confident0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-63.3-38174.960.90000112.3C112 G113 I114 S120C112-S116 VanDerWaalsContact O-CB 3.23Å; C112-S116 WeakPolarHBondContact O-CB 3.49Å; C112-S116 PolarHBondContact O-N 2.94Å; C112-S116 PolarHBondContact O-OG 3.35Å; G113-S116 WeakPolarHBondContact CA-OG 3.13Å; G113-S116 PolarHBondContact O-OG 2.88Å; I114-S116 PolarHBondContact O-N 3.38Å; S116-S120 WeakPolarHBondContact O-CB 3.4Å; S116-S120 PolarHBondContact O-N 2.86Å; S116-S120 PolarHBondContact O-OG 3.18Å
117G82.6Confident82.1Confident0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-62.3-41.717400000113.1G113 I114 L115 S120 S121G113-G117 PolarHBondContact O-N 3.46Å; I114-G117 PolarHBondContact O-N 3.33Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 2.88Å; G117-S120 WeakPolarHBondContact CA-OG 3.37Å; G117-S120 PolarHBondContact O-OG 3.36Å; G117-S121 WeakPolarHBondContact O-CB 3.37Å; G117-S121 PolarHBondContact O-N 3.33Å; G117-S121 PolarHBondContact O-OG 3.44Å
118V84.5Confident82Confident44 Ų4428.6 Ų28.627%0.26716%0.156SC..Hα-helixtrans-69.9-46178.2169.80000111.4I114 L115 S121 T122 A169 A173I114-V118 HydrophobicContact CG2-CG2 4.42Å; I114-V118 VanDerWaalsContact O-CG2 3.31Å; I114-V118 WeakPolarHBondContact O-CG2 3.37Å; I114-V118 PolarHBondContact O-N 2.87Å; L115-V118 PolarHBondContact O-N 2.72Å; V118-S121 PolarHBondContact O-N 2.68Å; V118-T122 WeakPolarHBondContact O-CB 3.42Å; V118-T122 PolarHBondContact O-N 2.91Å; V118-T122 PolarHBondContact O-OG1 3.25Å; V118-A169 HydrophobicContact CB-CB 4.49Å; V118-A169 HydrophobicContact CG1-CB 3.98Å; V118-A169 HydrophobicContact CG2-CB 4.23Å; V118-A173 HydrophobicContact CG2-CB 4.26Å
119I86.3Confident81.7Confident69 Ų6927.5 Ų27.535%0.35415%0.151SC..Hα-helixtrans-64.2-48.5179.2-67.7165000110.5T89 L115 S121 T122 I123T89-I119 HydrophobicContact CG2-CB 4.13Å; T89-I119 HydrophobicContact CG2-CD1 3.66Å; T89-I119 HydrophobicContact CG2-CG1 4.5Å; T89-I119 HydrophobicContact CG2-CG2 4.13Å; L115-I119 WeakPolarHBondContact O-CB 3.34Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.48Å; L115-I119 PolarHBondContact O-N 3.45Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.98Å; I119-T122 WeakPolarHBondContact O-CB 3.45Å; I119-T122 PolarHBondContact O-N 2.94Å; I119-T122 VanDerWaalsContact O-N 3.16Å; I119-I123 HydrophobicContact CG2-CD1 3.98Å; I119-I123 WeakPolarHBondContact O-CG1 3.09Å; I119-I123 PolarHBondContact O-N 3.43Å; I119-I123 VanDerWaalsContact O-N 3.11Å
120S81.6Confident81.4Confident0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-60.6-41.2177.156.50000112.4Y82 S116 G117 T122 I123 A124Y82-S120 WeakPolarHBondContact CE2-OG 3.17Å; S116-S120 WeakPolarHBondContact O-CB 3.4Å; S116-S120 PolarHBondContact O-N 2.86Å; S116-S120 PolarHBondContact O-OG 3.18Å; G117-S120 WeakPolarHBondContact CA-OG 3.37Å; G117-S120 PolarHBondContact O-OG 3.36Å; S120-T122 VanDerWaalsContact C-N 3.33Å; S120-T122 PolarHBondContact O-N 2.95Å; S120-I123 PolarHBondContact O-N 3.02Å; S120-A124 WeakPolarHBondContact O-CB 3.5Å; S120-A124 PolarHBondContact O-N 3.01Å
121S80.6Confident81.1Confident5 Ų527 Ų274%0.03515%0.146CC..Hα-helixtrans-64.7-36.4175.8-63.50000112.7G117 V118 I119 A124 N125 A172G117-S121 WeakPolarHBondContact O-CB 3.37Å; G117-S121 PolarHBondContact O-N 3.33Å; G117-S121 PolarHBondContact O-OG 3.44Å; V118-S121 PolarHBondContact O-N 2.68Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.98Å; S121-A124 PolarHBondContact O-N 3.44Å; S121-N125 WeakPolarHBondContact O-CB 3.44Å; S121-N125 PolarHBondContact O-N 3.33Å; S121-A172 WeakPolarHBondContact OG-CB 3.39Å
122T82.1Confident80.4Confident50 Ų5026.7 Ų26.731%0.30715%0.145SC..Hα-helixtrans-67.1-41.4179.6-60.50000111.7V118 I119 S120 V165V118-T122 WeakPolarHBondContact O-CB 3.42Å; V118-T122 PolarHBondContact O-N 2.91Å; V118-T122 PolarHBondContact O-OG1 3.25Å; I119-T122 WeakPolarHBondContact O-CB 3.45Å; I119-T122 PolarHBondContact O-N 2.94Å; I119-T122 VanDerWaalsContact O-N 3.16Å; S120-T122 VanDerWaalsContact C-N 3.33Å; S120-T122 PolarHBondContact O-N 2.95Å; T122-V165 HydrophobicContact CG2-CG2 3.96Å
123I83.2Confident79.8Confident99 Ų9929.9 Ų29.951%0.50816%0.157SC..Hα-helixtrans-75.5-35178.4-61.2166.4000111I85 I119 S120 N125 P126I85-I123 HydrophobicContact CD1-CB 3.97Å; I85-I123 HydrophobicContact CD1-CG2 3.5Å; I85-I123 VanDerWaalsContact CD1-CG2 3.5Å; I85-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 HydrophobicContact CG2-CD1 3.98Å; I119-I123 WeakPolarHBondContact O-CG1 3.09Å; I119-I123 PolarHBondContact O-N 3.43Å; I119-I123 VanDerWaalsContact O-N 3.11Å; S120-I123 PolarHBondContact O-N 3.02Å; I123-N125 VanDerWaalsContact C-N 3.33Å; I123-P126 WeakPolarHBondContact O-CD 3.32Å
124A80.6Confident79.1Confident2 Ų230.6 Ų30.62%0.01716%0.16CC..Hα-helixtrans-80-9.5178.800000114.3Y82 S120 S121 P126 T127 D128Y82-A124 HydrophobicContact CD2-CB 4.21Å; S120-A124 WeakPolarHBondContact O-CB 3.5Å; S120-A124 PolarHBondContact O-N 3.01Å; S121-A124 PolarHBondContact O-N 3.44Å; A124-P126 VanDerWaalsContact C-CD 3.45Å; A124-T127 WeakPolarHBondContact O-CB 3.47Å; A124-T127 PolarHBondContact O-N 3.04Å; A124-T127 VanDerWaalsContact O-N 3.08Å; A124-D128 PolarHBondContact O-N 3.31Å
125N80.4Confident78Confident0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-57.1-39.6-174.4-160.276.3000115S121 I123 T127 D128 V129 L161 W162 K163 V165 T168S121-N125 WeakPolarHBondContact O-CB 3.44Å; S121-N125 PolarHBondContact O-N 3.33Å; I123-N125 VanDerWaalsContact C-N 3.33Å; N125-T127 PolarHBondContact O-N 3.34Å; N125-D128 WeakPolarHBondContact O-CB 3.25Å; N125-D128 PolarHBondContact O-N 2.95Å; N125-V129 WeakPolarHBondContact O-CG2 3.26Å; N125-V129 PolarHBondContact O-N 2.93Å; N125-L161 PolarHBondContact ND2-O 3.45Å; N125-W162 VanDerWaalsContact ND2-C 3.33Å; N125-W162 WeakPolarHBondContact ND2-CA 3.36Å; N125-K163 PolarHBondContact ND2-O 2.81Å; N125-K163 VanDerWaalsContact ND2-O 3.15Å; N125-V165 HydrophobicContact CB-CB 4.41Å; N125-V165 HydrophobicContact CB-CG2 4.1Å; N125-V165 WeakPolarHBondContact OD1-CA 3.27Å; N125-T168 PolarHBondContact OD1-OG1 3.28Å; N125-T168 VanDerWaalsContact OD1-OG1 3.05Å
126P79.3Confident76.8Confident23 Ų2327.2 Ų27.215%0.14915%0.149CC..Hα-helixtrans-56.2-40.4175.4-27.237000112.4I123 A124 V129 L130 L161 W162I123-P126 WeakPolarHBondContact O-CD 3.32Å; A124-P126 VanDerWaalsContact C-CD 3.45Å; P126-V129 PolarHBondContact O-N 3.38Å; P126-L130 WeakPolarHBondContact O-CD1 3.46Å; P126-L130 PolarHBondContact O-N 3.38Å; P126-L161 HydrophobicContact CB-CB 4.27Å; P126-L161 HydrophobicContact CB-CD2 4.19Å; P126-L161 HydrophobicContact CG-CB 4.37Å; P126-W162 HydrophobicContact CG-CZ2 4.35Å
127T79.3Confident75.8Confident18 Ų1830.3 Ų30.311%0.1116%0.163CC..Hα-helixtrans-70.8-36.9-179.7-43.40000111.9P74 L77 R78 A124 N125 L130 K131P74-T127 HydrophobicContact CB-CG2 4.11Å; P74-T127 WeakPolarHBondContact O-CG2 3.26Å; L77-T127 HydrophobicContact CB-CG2 4.05Å; L77-T127 HydrophobicContact CD2-CG2 4.15Å; L77-T127 HydrophobicContact CG-CG2 4.17Å; R78-T127 HydrophobicContact CB-CG2 3.76Å; A124-T127 WeakPolarHBondContact O-CB 3.47Å; A124-T127 PolarHBondContact O-N 3.04Å; A124-T127 VanDerWaalsContact O-N 3.08Å; N125-T127 PolarHBondContact O-N 3.34Å; T127-L130 PolarHBondContact O-N 2.82Å; T127-K131 WeakPolarHBondContact O-CB 3.33Å; T127-K131 PolarHBondContact O-N 2.85Å
128D75.1Confident74.2Confident20 Ų2033 Ų3311%0.10718%0.182CC..Hα-helixtrans-60.3-46.6172.4-84.73.6000111.3R78 A124 N125 L130 K131 I132 R225R78-D128 WeakPolarHBondContact CD-OD1 3.48Å; A124-D128 PolarHBondContact O-N 3.31Å; N125-D128 WeakPolarHBondContact O-CB 3.25Å; N125-D128 PolarHBondContact O-N 2.95Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.34Å; D128-K131 PolarHBondContact O-N 3.48Å; D128-I132 VanDerWaalsContact O-CG1 3.31Å; D128-I132 WeakPolarHBondContact O-CG1 3.48Å; D128-I132 PolarHBondContact O-N 3.32Å; D128-R225 IonicContact OD2-NH2 2.7Å; D128-R225 PolarHBondContact OD2-NH2 3.44Å
129V72.7Confident72.6Confident11 Ų1134 Ų347%0.06719%0.191CC..Hα-helixtrans-62-43.2178.6173.60000110.7N125 P126 I132 R133N125-V129 WeakPolarHBondContact O-CG2 3.26Å; N125-V129 PolarHBondContact O-N 2.93Å; P126-V129 PolarHBondContact O-N 3.38Å; V129-I132 PolarHBondContact O-N 3.33Å; V129-R133 WeakPolarHBondContact O-CB 3.19Å; V129-R133 WeakPolarHBondContact O-CG 3.31Å; V129-R133 PolarHBondContact O-N 3.16Å
130L74Confident70.4Confident7 Ų737 Ų374%0.03721%0.213CC..Hα-helixtrans-61.5-48.1176.2-99.572.7000112.1P74 P126 T127 D128 I132 R133 M134 M145 F149 I152 L161P74-L130 HydrophobicContact CB-CB 4.18Å; P126-L130 WeakPolarHBondContact O-CD1 3.46Å; P126-L130 PolarHBondContact O-N 3.38Å; T127-L130 PolarHBondContact O-N 2.82Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.34Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 3.37Å; L130-R133 PolarHBondContact O-N 3.34Å; L130-M134 WeakPolarHBondContact O-CB 3.33Å; L130-M134 VanDerWaalsContact O-CG 3.3Å; L130-M134 WeakPolarHBondContact O-CG 3.27Å; L130-M134 PolarHBondContact O-N 3.31Å; L130-M145 HydrophobicContact CD2-CG 3.82Å; L130-F149 HydrophobicContact CD1-CD2 3.78Å; L130-F149 HydrophobicContact CD2-CB 4Å; L130-F149 HydrophobicContact CD2-CD2 4.03Å; L130-I152 HydrophobicContact CD1-CD1 3.73Å; L130-I152 HydrophobicContact CG-CD1 4.17Å; L130-L161 HydrophobicContact CD1-CD2 3.93Å
131K75.1Confident68.8Low25 Ų2542.1 Ų42.111%0.10924%0.239CC..Hα-helixtrans-56.8-49.1178.6-178.4177.4178.1171.80110.7E20 P74 A75 T127 D128 Q135E20-K131 IonicContact OE1-NZ 3.05Å; E20-K131 PolarHBondContact OE1-NZ 3.49Å; P74-K131 HydrophobicContact CB-CB 4.26Å; P74-K131 HydrophobicContact CG-CB 4.35Å; A75-K131 HydrophobicContact CB-CD 3.9Å; T127-K131 WeakPolarHBondContact O-CB 3.33Å; T127-K131 PolarHBondContact O-N 2.85Å; D128-K131 PolarHBondContact O-N 3.48Å; K131-Q135 WeakPolarHBondContact O-CB 3.45Å; K131-Q135 VanDerWaalsContact O-CG 3.25Å; K131-Q135 WeakPolarHBondContact O-CG 3.31Å; K131-Q135 PolarHBondContact O-N 3.48Å
132I68.8Low67.2Low67 Ų6751.2 Ų51.234%0.34428%0.281SS..Hα-helixtrans-64.1-45.5-178.1-66.2168.1000111D128 V129 L130 Q135 A136 M229D128-I132 VanDerWaalsContact O-CG1 3.31Å; D128-I132 WeakPolarHBondContact O-CG1 3.48Å; D128-I132 PolarHBondContact O-N 3.32Å; V129-I132 PolarHBondContact O-N 3.33Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 3.37Å; I132-Q135 PolarHBondContact O-N 3.02Å; I132-A136 WeakPolarHBondContact O-CB 3.41Å; I132-A136 PolarHBondContact O-N 3.23Å; I132-M229 HydrophobicContact CD1-CE 4.45Å; I132-M229 HydrophobicContact CD1-SD 3.91Å
133R70.6Confident66Low66 Ų6650 Ų5025%0.24928%0.279CS..Hα-helixtrans-66-42.1-179.9-74.2179.5-174.6-133.51.2112.8V129 L130 Q135 A136 Q137 I152 E156V129-R133 WeakPolarHBondContact O-CB 3.19Å; V129-R133 WeakPolarHBondContact O-CG 3.31Å; V129-R133 PolarHBondContact O-N 3.16Å; L130-R133 PolarHBondContact O-N 3.34Å; R133-Q135 VanDerWaalsContact C-N 3.34Å; R133-A136 PolarHBondContact O-N 3.19Å; R133-Q137 PolarHBondContact O-N 2.81Å; R133-I152 VanDerWaalsContact CD-CD1 3.46Å; R133-E156 IonicContact CZ-OE1 3.39Å; R133-E156 IonicContact CZ-OE2 3.45Å; R133-E156 IonicContact NH1-OE1 3.71Å; R133-E156 PolarHBondContact NH1-OE1 3.34Å; R133-E156 IonicContact NH1-OE2 3.85Å; R133-E156 IonicContact NH2-OE1 2.71Å; R133-E156 PolarHBondContact NH2-OE1 3.13Å; R133-E156 IonicContact NH2-OE2 3.36Å; R133-E156 PolarHBondContact NH2-OE2 3.15Å
134M68.8Low65.2Low17 Ų1747.9 Ų47.98%0.08428%0.28CS..Hα-helixtrans-67.1-35.6177.3-71.4-17569.500112.2P74 L130 N148P74-M134 HydrophobicContact CG-SD 3.86Å; L130-M134 WeakPolarHBondContact O-CB 3.33Å; L130-M134 VanDerWaalsContact O-CG 3.3Å; L130-M134 WeakPolarHBondContact O-CG 3.27Å; L130-M134 PolarHBondContact O-N 3.31Å; M134-N148 HydrophobicContact CG-CB 4.35Å
135Q62.6Low64.6Low6 Ų650.6 Ų50.63%0.02829%0.293CS..Hα-helixtrans-73.7-27.9174.9-73.2-177.2-15.300112.8T31 K131 I132 R133T31-Q135 HydrophobicContact CG2-CB 3.92Å; T31-Q135 PolarHBondContact OG1-OE1 3.46Å; K131-Q135 WeakPolarHBondContact O-CB 3.45Å; K131-Q135 VanDerWaalsContact O-CG 3.25Å; K131-Q135 WeakPolarHBondContact O-CG 3.31Å; K131-Q135 PolarHBondContact O-N 3.48Å; I132-Q135 PolarHBondContact O-N 3.02Å; R133-Q135 VanDerWaalsContact C-N 3.34Å
136A60.7Low64.3Low43 Ų4357 Ų5736%0.35533%0.326SS..Hα-helixtrans-79.6-3017900000113.8I35 I132 R133 S138I35-A136 HydrophobicContact CD1-CB 3.52Å; I132-A136 WeakPolarHBondContact O-CB 3.41Å; I132-A136 PolarHBondContact O-N 3.23Å; R133-A136 PolarHBondContact O-N 3.19Å; A136-S138 PolarHBondContact O-N 3.1Å
137Q62.2Low64.1Low65 Ų6557.8 Ų57.830%0.30434%0.339SS..SBendtrans-71125.3176.5-77.8172.7-19.200110.7R32 R133R32-Q137 PolarHBondContact NH2-O 2.93Å; R133-Q137 PolarHBondContact O-N 2.81Å
138S50.6Low63.7Low57 Ų5757.4 Ų57.440%0.39934%0.336SS..  trans-71.4146.7161.7-66.20000109.1A136 T140A136-S138 PolarHBondContact O-N 3.1Å; S138-T140 PolarHBondContact O-N 3.23Å
139S49.8Very low63.8Low63 Ų6360.2 Ų60.244%0.44135%0.348SS..THydrogen-bonded Turntrans-52.43.5-161.646.70000119.4I141S139-I141 VanDerWaalsContact C-N 3.34Å; S139-I141 PolarHBondContact O-N 3.21Å
140T41.4Very low63.9Low133 Ų13364 Ų6482%0.81637%0.366SS*.THydrogen-bonded Turntrans-73.9-19.8-176.7-40.50000113.8S138S138-T140 PolarHBondContact O-N 3.23Å
141I46.3Very low63.9Low107 Ų10766.3 Ų66.355%0.54938%0.378SS..SBendtrans-111.286.6174.9-53.1-176.9000109.2S139 G143S139-I141 VanDerWaalsContact C-N 3.34Å; S139-I141 PolarHBondContact O-N 3.21Å; I141-G143 PolarHBondContact O-N 3.18Å
142Q47.6Very low63.8Low197 Ų19765.6 Ų65.692%0.92138%0.375SS*.  trans-71.175.3173-116.5175.7-6.500110.2
143G56.8Low64.2Low25 Ų2567.6 Ų67.626%0.25838%0.379SS..  trans-100.7128.1169.900000111I141 N148I141-G143 PolarHBondContact O-N 3.18Å; G143-N148 PolarHBondContact O-ND2 3.22Å; G143-N148 VanDerWaalsContact O-ND2 3.13Å
144G65.8Low64.6Low53 Ų5371.1 Ų71.155%0.54640%0.398SS..  trans-58.5163.7165.700000111.5I146 G147 N148G144-I146 PolarHBondContact O-N 3.38Å; G144-I146 VanDerWaalsContact O-N 3.1Å; G144-G147 PolarHBondContact O-N 3.48Å; G144-N148 PolarHBondContact O-N 3Å
145M68.6Low64.8Low59 Ų5977 Ų7729%0.29143%0.426SS..Hα-helixtrans-49.6-41.6-179.6-172-174.690.800112.1A73 P74 L77 L130 F149A73-M145 HydrophobicContact CB-SD 4.27Å; P74-M145 HydrophobicContact CB-SD 4.34Å; L77-M145 HydrophobicContact CD2-CE 3.87Å; L77-M145 HydrophobicContact CD2-SD 4.23Å; L130-M145 HydrophobicContact CD2-CG 3.82Å; M145-F149 WeakPolarHBondContact O-CB 3.28Å; M145-F149 PolarHBondContact O-N 2.86Å
146I74.9Confident65Low134 Ų13480.4 Ų80.469%0.68744%0.442SS*.Hα-helixtrans-70.6-38.6-179.9-60171.3000111.6G144 F149 M150G144-I146 PolarHBondContact O-N 3.38Å; G144-I146 VanDerWaalsContact O-N 3.1Å; I146-F149 WeakPolarHBondContact O-CB 3.45Å; I146-F149 PolarHBondContact O-N 3.11Å; I146-M150 WeakPolarHBondContact O-CB 3.37Å; I146-M150 PolarHBondContact O-N 3.41Å
147G73.9Confident65.9Low40 Ų4079.7 Ų79.741%0.41244%0.438SS..Hα-helixtrans-66-41.9176.800000112G144 M150 N151G144-G147 PolarHBondContact O-N 3.48Å; G147-M150 PolarHBondContact O-N 3.46Å; G147-N151 VanDerWaalsContact O-CB 3.32Å; G147-N151 WeakPolarHBondContact O-CB 3.43Å; G147-N151 PolarHBondContact O-N 2.97Å
148N72Confident66.5Low11 Ų1180.1 Ų80.16%0.05945%0.445CS..Hα-helixtrans-68-39.5173.8-84.4-43.3000112.2M134 G143 G144 N151 I152M134-N148 HydrophobicContact CG-CB 4.35Å; G143-N148 PolarHBondContact O-ND2 3.22Å; G143-N148 VanDerWaalsContact O-ND2 3.13Å; G144-N148 PolarHBondContact O-N 3Å; N148-N151 PolarHBondContact O-N 3.43Å; N148-I152 VanDerWaalsContact O-CD1 3.3Å; N148-I152 WeakPolarHBondContact O-CD1 3.33Å; N148-I152 WeakPolarHBondContact O-CG1 3.37Å; N148-I152 PolarHBondContact O-N 3.35Å
149F75.6Confident67.5Low79 Ų7988.1 Ų88.135%0.34647%0.467SS..Hα-helixtrans-56.8-50.6171.9-175.1-98.4000111.6L130 M145 I146 N151 I152 Y153 L161L130-F149 HydrophobicContact CD1-CD2 3.78Å; L130-F149 HydrophobicContact CD2-CB 4Å; L130-F149 HydrophobicContact CD2-CD2 4.03Å; M145-F149 WeakPolarHBondContact O-CB 3.28Å; M145-F149 PolarHBondContact O-N 2.86Å; I146-F149 WeakPolarHBondContact O-CB 3.45Å; I146-F149 PolarHBondContact O-N 3.11Å; F149-N151 VanDerWaalsContact C-N 3.33Å; F149-N151 PolarHBondContact O-N 3.17Å; F149-I152 PolarHBondContact O-N 2.74Å; F149-Y153 WeakPolarHBondContact O-CB 3.42Å; F149-Y153 PolarHBondContact O-N 2.95Å; F149-L161 HydrophobicContact CD2-CD2 4.02Å; F149-L161 HydrophobicContact CE2-CD1 3.81Å; F149-L161 HydrophobicContact CE2-CD2 3.68Å; F149-L161 HydrophobicContact CE2-CG 4.43Å; F149-L161 HydrophobicContact CZ-CD1 3.86Å
150M76.4Confident68.4Low91 Ų9185.2 Ų85.245%0.44845%0.447SS..Hα-helixtrans-63.9-40.1-178-164.567178.900111.4I146 G147 Y153 Q154I146-M150 WeakPolarHBondContact O-CB 3.37Å; I146-M150 PolarHBondContact O-N 3.41Å; G147-M150 PolarHBondContact O-N 3.46Å; M150-Y153 PolarHBondContact O-N 3.32Å; M150-Q154 HydrophobicContact CE-CG 4.39Å; M150-Q154 HydrophobicContact CG-CG 4.45Å; M150-Q154 WeakPolarHBondContact O-CB 3.3Å; M150-Q154 VanDerWaalsContact O-CG 3.31Å; M150-Q154 WeakPolarHBondContact O-CG 3.5Å; M150-Q154 PolarHBondContact O-N 3.11Å
151N73.8Confident69.9Low55 Ų5579.1 Ų79.129%0.29441%0.41SS..Hα-helixtrans-64-44.6177-167.41.8000111.7G147 N148 F149 Y153 Q154 Q155G147-N151 VanDerWaalsContact O-CB 3.32Å; G147-N151 WeakPolarHBondContact O-CB 3.43Å; G147-N151 PolarHBondContact O-N 2.97Å; N148-N151 PolarHBondContact O-N 3.43Å; F149-N151 VanDerWaalsContact C-N 3.33Å; F149-N151 PolarHBondContact O-N 3.17Å; N151-Y153 VanDerWaalsContact C-N 3.32Å; N151-Y153 PolarHBondContact O-N 3.45Å; N151-Q154 PolarHBondContact O-N 3.3Å; N151-Q155 WeakPolarHBondContact O-CB 3.41Å; N151-Q155 WeakPolarHBondContact O-CG 3.38Å; N151-Q155 PolarHBondContact O-N 2.96Å; N151-Q155 WeakPolarHBondContact OD1-CG 3.28Å; N151-Q155 PolarHBondContact OD1-NE2 3.39Å
152I72.7Confident71.4Confident9 Ų979.6 Ų79.65%0.04641%0.405CS..Hα-helixtrans-61.3-44.4175-64.7160.1000110.4L130 R133 N148 F149 E156 L161L130-I152 HydrophobicContact CD1-CD1 3.73Å; L130-I152 HydrophobicContact CG-CD1 4.17Å; R133-I152 VanDerWaalsContact CD-CD1 3.46Å; N148-I152 VanDerWaalsContact O-CD1 3.3Å; N148-I152 WeakPolarHBondContact O-CD1 3.33Å; N148-I152 WeakPolarHBondContact O-CG1 3.37Å; N148-I152 PolarHBondContact O-N 3.35Å; F149-I152 PolarHBondContact O-N 2.74Å; I152-E156 PolarHBondContact O-N 2.71Å; I152-L161 HydrophobicContact CG2-CD2 4Å; I152-L161 HydrophobicContact CG2-CG 4.36Å
153Y78.2Confident72.5Confident110 Ų11074.6 Ų74.643%0.43138%0.38SS..Hα-helixtrans-64.4-40.5179.8-172.4-97.9000112.3F149 M150 N151 G157 T158 L161F149-Y153 WeakPolarHBondContact O-CB 3.42Å; F149-Y153 PolarHBondContact O-N 2.95Å; M150-Y153 PolarHBondContact O-N 3.32Å; N151-Y153 VanDerWaalsContact C-N 3.32Å; N151-Y153 PolarHBondContact O-N 3.45Å; Y153-G157 WeakPolarHBondContact O-CA 3.47Å; Y153-G157 PolarHBondContact O-N 3.17Å; Y153-T158 HydrophobicContact CE2-CG2 3.73Å; Y153-L161 HydrophobicContact CD2-CD1 4Å
154Q77.5Confident73.1Confident139 Ų13974.2 Ų74.265%0.6538%0.376SS*.Hα-helixtrans-73.9-36.8178.6-73.8179.5-8.600113.1M150 N151M150-Q154 HydrophobicContact CE-CG 4.39Å; M150-Q154 HydrophobicContact CG-CG 4.45Å; M150-Q154 WeakPolarHBondContact O-CB 3.3Å; M150-Q154 VanDerWaalsContact O-CG 3.31Å; M150-Q154 WeakPolarHBondContact O-CG 3.5Å; M150-Q154 PolarHBondContact O-N 3.11Å; N151-Q154 PolarHBondContact O-N 3.3Å
155Q72.8Confident73.8Confident142 Ų14273.2 Ų73.266%0.66436%0.359SS*.Hα-helixtrans-84.7-37.9-176.9-69.1-170.7-100113.9N151N151-Q155 WeakPolarHBondContact O-CB 3.41Å; N151-Q155 WeakPolarHBondContact O-CG 3.38Å; N151-Q155 PolarHBondContact O-N 2.96Å; N151-Q155 WeakPolarHBondContact OD1-CG 3.28Å; N151-Q155 PolarHBondContact OD1-NE2 3.39Å
156E68.4Low74.1Confident77 Ų7774 Ų7436%0.3637%0.37SS..Hα-helixtrans-118.6-4-172.9-64.1-175.3-153.100113.7R133 I152 G160R133-E156 IonicContact CZ-OE1 3.39Å; R133-E156 IonicContact CZ-OE2 3.45Å; R133-E156 IonicContact NH1-OE1 3.71Å; R133-E156 PolarHBondContact NH1-OE1 3.34Å; R133-E156 IonicContact NH1-OE2 3.85Å; R133-E156 IonicContact NH2-OE1 2.71Å; R133-E156 PolarHBondContact NH2-OE1 3.13Å; R133-E156 IonicContact NH2-OE2 3.36Å; R133-E156 PolarHBondContact NH2-OE2 3.15Å; I152-E156 PolarHBondContact O-N 2.71Å; E156-G160 PolarHBondContact O-N 2.83Å; E156-G160 WeakPolarHBondContact OE2-CA 3.43Å
157G77.6Confident74.1Confident27 Ų2767.9 Ų67.928%0.27834%0.339SS..Hα-helixtrans65.2-164.9-177.100000113.1Y153 R159 G160Y153-G157 WeakPolarHBondContact O-CA 3.47Å; Y153-G157 PolarHBondContact O-N 3.17Å; G157-R159 VanDerWaalsContact C-N 3.28Å; G157-R159 PolarHBondContact O-N 3.18Å; G157-G160 PolarHBondContact O-N 3.4Å
158T76.2Confident74.2Confident74 Ų7466.3 Ų66.345%0.45432%0.321SS..Hα-helixtrans-59.8-38.917550.80000111.4Y153 G160 L161 W162Y153-T158 HydrophobicContact CE2-CG2 3.73Å; T158-G160 PolarHBondContact O-N 3.06Å; T158-G160 VanDerWaalsContact O-N 3.11Å; T158-L161 PolarHBondContact O-N 3.44Å; T158-W162 HydrophobicContact CG2-CZ3 4.29Å; T158-W162 PolarHBondContact O-N 2.91Å
159R71.4Confident74.7Confident225 Ų22566.5 Ų66.585%0.84932%0.324SS*.Hα-helixtrans-57.8-29179.3-74.8-177167.4-178.3-2.8113.8G157 K163G157-R159 VanDerWaalsContact C-N 3.28Å; G157-R159 PolarHBondContact O-N 3.18Å; R159-K163 PolarHBondContact O-N 3.23Å
160G69.1Low75Confident3 Ų366.6 Ų66.63%0.03133%0.326CS..Hα-helixtrans-65.4-36.2173.700000113.9E156 G157 T158 K163E156-G160 PolarHBondContact O-N 2.83Å; E156-G160 WeakPolarHBondContact OE2-CA 3.43Å; G157-G160 PolarHBondContact O-N 3.4Å; T158-G160 PolarHBondContact O-N 3.06Å; T158-G160 VanDerWaalsContact O-N 3.11Å; G160-K163 VanDerWaalsContact O-CB 3.28Å; G160-K163 WeakPolarHBondContact O-CB 3.13Å; G160-K163 PolarHBondContact O-N 3.48Å
161L73.4Confident75.3Confident5 Ų566.7 Ų66.73%0.02632%0.321CS..Hα-helixtrans-75.6-32.2-178.2-67.4167.2000113.1N125 P126 L130 F149 I152 Y153 T158 K163N125-L161 PolarHBondContact ND2-O 3.45Å; P126-L161 HydrophobicContact CB-CB 4.27Å; P126-L161 HydrophobicContact CB-CD2 4.19Å; P126-L161 HydrophobicContact CG-CB 4.37Å; L130-L161 HydrophobicContact CD1-CD2 3.93Å; F149-L161 HydrophobicContact CD2-CD2 4.02Å; F149-L161 HydrophobicContact CE2-CD1 3.81Å; F149-L161 HydrophobicContact CE2-CD2 3.68Å; F149-L161 HydrophobicContact CE2-CG 4.43Å; F149-L161 HydrophobicContact CZ-CD1 3.86Å; I152-L161 HydrophobicContact CG2-CD2 4Å; I152-L161 HydrophobicContact CG2-CG 4.36Å; Y153-L161 HydrophobicContact CD2-CD1 4Å; T158-L161 PolarHBondContact O-N 3.44Å; L161-K163 VanDerWaalsContact C-N 3.33Å
162W77.7Confident75.6Confident117 Ų11764.4 Ų64.444%0.44331%0.31SS..THydrogen-bonded Turntrans-91.78.3174.3-75.1-87.7000113.4N125 P126 T158 G164 V165N125-W162 VanDerWaalsContact ND2-C 3.33Å; N125-W162 WeakPolarHBondContact ND2-CA 3.36Å; P126-W162 HydrophobicContact CG-CZ2 4.35Å; T158-W162 HydrophobicContact CG2-CZ3 4.29Å; T158-W162 PolarHBondContact O-N 2.91Å; W162-G164 PolarHBondContact O-N 2.95Å; W162-V165 WeakPolarHBondContact O-CB 3.47Å; W162-V165 PolarHBondContact O-N 2.72Å
163K70.2Confident76.2Confident91 Ų9165.1 Ų65.140%0.39632%0.317SS..THydrogen-bonded Turntrans-62.4126.8176.6-165.9176-179.8-175.20109.9N125 R159 G160 L161N125-K163 PolarHBondContact ND2-O 2.81Å; N125-K163 VanDerWaalsContact ND2-O 3.15Å; R159-K163 PolarHBondContact O-N 3.23Å; G160-K163 VanDerWaalsContact O-CB 3.28Å; G160-K163 WeakPolarHBondContact O-CB 3.13Å; G160-K163 PolarHBondContact O-N 3.48Å; L161-K163 VanDerWaalsContact C-N 3.33Å
164G69.9Low76.5Confident17 Ų1762.7 Ų62.718%0.17531%0.311CS..THydrogen-bonded Turntrans83.36.7179.700000115.4W162 S166 L167 T168W162-G164 PolarHBondContact O-N 2.95Å; G164-S166 VanDerWaalsContact C-N 3.26Å; G164-S166 PolarHBondContact O-N 2.91Å; G164-L167 WeakPolarHBondContact O-CB 3.3Å; G164-L167 PolarHBondContact O-N 3.37Å; G164-T168 PolarHBondContact O-N 2.76Å; G164-T168 PolarHBondContact O-OG1 3.39Å; G164-T168 VanDerWaalsContact O-OG1 3.1Å
165V78.6Confident76.8Confident32 Ų3257.3 Ų57.319%0.19429%0.288CS..Hα-helixtrans-56.9-38.5179.974.60000113T122 N125 W162 L167 T168 A169T122-V165 HydrophobicContact CG2-CG2 3.96Å; N125-V165 HydrophobicContact CB-CB 4.41Å; N125-V165 HydrophobicContact CB-CG2 4.1Å; N125-V165 WeakPolarHBondContact OD1-CA 3.27Å; W162-V165 WeakPolarHBondContact O-CB 3.47Å; W162-V165 PolarHBondContact O-N 2.72Å; V165-L167 VanDerWaalsContact C-N 3.28Å; V165-L167 PolarHBondContact O-N 3.32Å; V165-T168 PolarHBondContact O-N 3.3Å; V165-A169 VanDerWaalsContact O-CB 3.26Å; V165-A169 WeakPolarHBondContact O-CB 3.43Å; V165-A169 PolarHBondContact O-N 3.41Å
166S76.8Confident77.2Confident75 Ų7551 Ų5152%0.52426%0.258SS..Hα-helixtrans-62.5-35.8176.7-49.70000112.2G164 Q170G164-S166 VanDerWaalsContact C-N 3.26Å; G164-S166 PolarHBondContact O-N 2.91Å; S166-Q170 WeakPolarHBondContact O-CB 3.4Å; S166-Q170 WeakPolarHBondContact O-CG 3.39Å; S166-Q170 PolarHBondContact O-N 2.93Å
167L74Confident77.9Confident7 Ų748.4 Ų48.44%0.03725%0.253CS..Hα-helixtrans-73.7-40.3177.8-66160.3000111.1G164 V165 R171 V224 R225 M228 T245G164-L167 WeakPolarHBondContact O-CB 3.3Å; G164-L167 PolarHBondContact O-N 3.37Å; V165-L167 VanDerWaalsContact C-N 3.28Å; V165-L167 PolarHBondContact O-N 3.32Å; L167-R171 WeakPolarHBondContact O-CB 3.42Å; L167-R171 PolarHBondContact O-N 3.36Å; L167-V224 HydrophobicContact CD2-CG1 4.32Å; L167-R225 HydrophobicContact CB-CB 4.13Å; L167-R225 HydrophobicContact CB-CG 3.87Å; L167-R225 HydrophobicContact CD1-CB 4.49Å; L167-R225 HydrophobicContact CD1-CG 4.33Å; L167-R225 HydrophobicContact CD2-CB 4.43Å; L167-M228 HydrophobicContact CD1-CB 3.72Å; L167-M228 HydrophobicContact CD1-CE 4.33Å; L167-M228 HydrophobicContact CD1-CG 4.41Å; L167-M228 HydrophobicContact CD1-SD 3.86Å; L167-M228 HydrophobicContact CD2-SD 3.72Å; L167-M228 HydrophobicContact CG-SD 4.25Å; L167-T245 HydrophobicContact CD2-CG2 3.58Å; L167-T245 WeakPolarHBondContact CD2-OG1 3.48Å
168T75.9Confident78.3Confident7 Ų749 Ų494%0.04325%0.251CS..Hα-helixtrans-63.4-44.1174.9-44.60000110.9N125 G164 V165 R171 A172 R225N125-T168 PolarHBondContact OD1-OG1 3.28Å; N125-T168 VanDerWaalsContact OD1-OG1 3.05Å; G164-T168 PolarHBondContact O-N 2.76Å; G164-T168 PolarHBondContact O-OG1 3.39Å; G164-T168 VanDerWaalsContact O-OG1 3.1Å; V165-T168 PolarHBondContact O-N 3.3Å; T168-R171 PolarHBondContact O-N 2.9Å; T168-A172 WeakPolarHBondContact O-CB 3.05Å; T168-A172 PolarHBondContact O-N 2.8Å; T168-R225 PolarHBondContact OG1-NH2 3.41Å
169A81.9Confident78.6Confident15 Ų1548.7 Ų48.712%0.12424%0.244CC..Hα-helixtrans-64.1-47.1177.500000112.4V118 V165 R171 A172 A173V118-A169 HydrophobicContact CB-CB 4.49Å; V118-A169 HydrophobicContact CG1-CB 3.98Å; V118-A169 HydrophobicContact CG2-CB 4.23Å; V165-A169 VanDerWaalsContact O-CB 3.26Å; V165-A169 WeakPolarHBondContact O-CB 3.43Å; V165-A169 PolarHBondContact O-N 3.41Å; A169-R171 VanDerWaalsContact C-N 3.34Å; A169-R171 PolarHBondContact O-N 2.9Å; A169-A172 PolarHBondContact O-N 2.92Å; A169-A173 WeakPolarHBondContact O-CB 3.48Å; A169-A173 PolarHBondContact O-N 3.03Å
170Q82.9Confident79.1Confident81 Ų8140.9 Ų40.938%0.37922%0.219SC..Hα-helixtrans-59.5-44.5176.5-77.6168.8400111.8S166 A173 I174 V221S166-Q170 WeakPolarHBondContact O-CB 3.4Å; S166-Q170 WeakPolarHBondContact O-CG 3.39Å; S166-Q170 PolarHBondContact O-N 2.93Å; Q170-A173 PolarHBondContact O-N 2.99Å; Q170-I174 WeakPolarHBondContact O-CG1 3.41Å; Q170-I174 PolarHBondContact O-N 2.67Å; Q170-V221 HydrophobicContact CB-CG1 4.48Å
171R82.4Confident79.8Confident93 Ų9342.7 Ų42.735%0.35123%0.23SC..Hα-helixtrans-59.3-49175.4-177.3-171-177.7-97.3-6.7111.4L167 T168 A169 A173 I174 V175 V221 D222L167-R171 WeakPolarHBondContact O-CB 3.42Å; L167-R171 PolarHBondContact O-N 3.36Å; T168-R171 PolarHBondContact O-N 2.9Å; A169-R171 VanDerWaalsContact C-N 3.34Å; A169-R171 PolarHBondContact O-N 2.9Å; R171-A173 VanDerWaalsContact C-N 3.31Å; R171-A173 PolarHBondContact O-N 3.35Å; R171-I174 PolarHBondContact O-N 3.44Å; R171-V175 HydrophobicContact CG-CG2 4.38Å; R171-V175 WeakPolarHBondContact O-CB 3.38Å; R171-V175 VanDerWaalsContact O-CG2 3.26Å; R171-V175 WeakPolarHBondContact O-CG2 3.4Å; R171-V175 PolarHBondContact O-N 2.82Å; R171-V221 HydrophobicContact CB-CG1 3.98Å; R171-D222 WeakPolarHBondContact CD-OD1 2.95Å; R171-D222 IonicContact CZ-OD1 2.9Å; R171-D222 IonicContact NE-OD1 3.2Å; R171-D222 PolarHBondContact NE-OD1 3.06Å; R171-D222 IonicContact NE-OD2 2.69Å; R171-D222 IonicContact NH2-OD2 2.84Å
172A80.9Confident80.4Confident6 Ų644.3 Ų44.35%0.0524%0.24CC..Hα-helixtrans-61.4-40.9179.700000112S121 T168 A169 V176S121-A172 WeakPolarHBondContact OG-CB 3.39Å; T168-A172 WeakPolarHBondContact O-CB 3.05Å; T168-A172 PolarHBondContact O-N 2.8Å; A169-A172 PolarHBondContact O-N 2.92Å; A172-V176 WeakPolarHBondContact O-CB 3.38Å; A172-V176 VanDerWaalsContact O-CG2 3.32Å; A172-V176 WeakPolarHBondContact O-CG2 3.49Å; A172-V176 PolarHBondContact O-N 2.91Å
173A84Confident80.7Confident24 Ų2441.4 Ų41.420%0.19823%0.23CC..Hα-helixtrans-62.7-45176.300000112.2I114 V118 A169 Q170 R171 G177I114-A173 HydrophobicContact CG2-CB 3.73Å; V118-A173 HydrophobicContact CG2-CB 4.26Å; A169-A173 WeakPolarHBondContact O-CB 3.48Å; A169-A173 PolarHBondContact O-N 3.03Å; Q170-A173 PolarHBondContact O-N 2.99Å; R171-A173 VanDerWaalsContact C-N 3.31Å; R171-A173 PolarHBondContact O-N 3.35Å; A173-G177 WeakPolarHBondContact O-CA 3.12Å; A173-G177 PolarHBondContact O-N 2.93Å
174I85.7Confident81.2Confident60 Ų6038.9 Ų38.931%0.30822%0.22SC..Hα-helixtrans-68.1-44.7-179.4-72.6164.9000111.2Q170 R171 G177 V178 A217 V221Q170-I174 WeakPolarHBondContact O-CG1 3.41Å; Q170-I174 PolarHBondContact O-N 2.67Å; R171-I174 PolarHBondContact O-N 3.44Å; I174-G177 PolarHBondContact O-N 2.9Å; I174-V178 WeakPolarHBondContact O-CB 3.34Å; I174-V178 WeakPolarHBondContact O-CG2 3.18Å; I174-V178 PolarHBondContact O-N 2.97Å; I174-A217 HydrophobicContact CG2-CB 3.9Å; I174-V221 HydrophobicContact CD1-CG2 3.39Å
175V82.6Confident82Confident26 Ų2643.5 Ų43.516%0.15824%0.24CC..Hα-helixtrans-58.5-54.3177.7170.80000109.8R171 G177 V178 E179R171-V175 HydrophobicContact CG-CG2 4.38Å; R171-V175 WeakPolarHBondContact O-CB 3.38Å; R171-V175 VanDerWaalsContact O-CG2 3.26Å; R171-V175 WeakPolarHBondContact O-CG2 3.4Å; R171-V175 PolarHBondContact O-N 2.82Å; V175-G177 PolarHBondContact O-N 3.34Å; V175-V178 PolarHBondContact O-N 3.46Å; V175-E179 VanDerWaalsContact CG1-CD 3.41Å; V175-E179 HydrophobicContact CG1-CG 4.18Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.42Å; V175-E179 WeakPolarHBondContact CG1-OE2 3.39Å; V175-E179 WeakPolarHBondContact O-CB 3.19Å; V175-E179 VanDerWaalsContact O-CG 3.24Å; V175-E179 WeakPolarHBondContact O-CG 3.32Å; V175-E179 PolarHBondContact O-N 2.91Å
176V81.1Confident82.2Confident8 Ų843.2 Ų43.25%0.04824%0.238CC..Hα-helixtrans-68.2-37.5-177.8179.80000112.2I114 A172 V178 L180I114-V176 HydrophobicContact CG1-CB 4.44Å; I114-V176 HydrophobicContact CG1-CG1 4.45Å; A172-V176 WeakPolarHBondContact O-CB 3.38Å; A172-V176 VanDerWaalsContact O-CG2 3.32Å; A172-V176 WeakPolarHBondContact O-CG2 3.49Å; A172-V176 PolarHBondContact O-N 2.91Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.43Å; V176-L180 HydrophobicContact CG1-CD1 3.59Å; V176-L180 HydrophobicContact CG1-CG 4.21Å; V176-L180 PolarHBondContact O-N 2.88Å
177G83.4Confident82.4Confident23 Ų2341.7 Ų41.724%0.23722%0.222CC..Hα-helixtrans-67.2-23.9179.200000114.2A173 I174 V175 P181A173-G177 WeakPolarHBondContact O-CA 3.12Å; A173-G177 PolarHBondContact O-N 2.93Å; I174-G177 PolarHBondContact O-N 2.9Å; V175-G177 PolarHBondContact O-N 3.34Å; G177-P181 WeakPolarHBondContact O-CD 3.43Å; G177-P181 WeakPolarHBondContact O-CG 3.33Å
178V85.6Confident82.8Confident41 Ų4147 Ų4725%0.24825%0.245CC..Hα-helixtrans-99.2-43177.2174.70000111.4I174 V175 V176 L180 P181 V182 A213 A217I174-V178 WeakPolarHBondContact O-CB 3.34Å; I174-V178 WeakPolarHBondContact O-CG2 3.18Å; I174-V178 PolarHBondContact O-N 2.97Å; V175-V178 PolarHBondContact O-N 3.46Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.43Å; V178-L180 PolarHBondContact O-N 3.47Å; V178-P181 WeakPolarHBondContact O-CD 3.39Å; V178-V182 HydrophobicContact CG1-CG2 3.95Å; V178-V182 VanDerWaalsContact O-CB 3.24Å; V178-V182 WeakPolarHBondContact O-CB 3.08Å; V178-V182 WeakPolarHBondContact O-CG2 3.28Å; V178-V182 PolarHBondContact O-N 3.12Å; V178-V182 VanDerWaalsContact O-N 3.09Å; V178-A213 HydrophobicContact CG1-CB 4.03Å; V178-A217 HydrophobicContact CB-CB 4.26Å; V178-A217 HydrophobicContact CG1-CB 4.14Å; V178-A217 HydrophobicContact CG2-CB 3.78Å
179E82.9Confident83.2Confident66 Ų6652.8 Ų52.831%0.30827%0.271SS..Hα-helixtrans-62.4-45.7-175.7-77.4-176.817000112.4V175 Y183 C210V175-E179 VanDerWaalsContact CG1-CD 3.41Å; V175-E179 HydrophobicContact CG1-CG 4.18Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.42Å; V175-E179 WeakPolarHBondContact CG1-OE2 3.39Å; V175-E179 WeakPolarHBondContact O-CB 3.19Å; V175-E179 VanDerWaalsContact O-CG 3.24Å; V175-E179 WeakPolarHBondContact O-CG 3.32Å; V175-E179 PolarHBondContact O-N 2.91Å; E179-Y183 VanDerWaalsContact O-CB 3.22Å; E179-Y183 WeakPolarHBondContact O-CB 3.48Å; E179-Y183 PolarHBondContact O-N 3.43Å; E179-C210 VanDerWaalsContact C-SG 3.57Å; E179-C210 WeakPolarHBondContact CA-SG 3.31Å; E179-C210 WeakPolarHBondContact CB-SG 3.47Å; E179-C210 PolarHBondContact O-SG 3.05Å
180L82.5Confident83.1Confident62 Ų6253.3 Ų53.333%0.32527%0.272SS..Hα-helixtrans-65.4-52.4-177.3-70.2175000112.4V110 V176 V178 V182 Y183 D184V110-L180 HydrophobicContact CG2-CB 3.94Å; V110-L180 HydrophobicContact CG2-CD1 4.39Å; V176-L180 HydrophobicContact CG1-CD1 3.59Å; V176-L180 HydrophobicContact CG1-CG 4.21Å; V176-L180 PolarHBondContact O-N 2.88Å; V178-L180 PolarHBondContact O-N 3.47Å; L180-V182 PolarHBondContact O-N 3.35Å; L180-Y183 PolarHBondContact O-N 2.94Å; L180-D184 PolarHBondContact O-N 3.41Å; L180-D184 VanDerWaalsContact O-N 3.11Å
181P84.4Confident82.9Confident41 Ų4152.9 Ų52.927%0.26627%0.271SS..Hα-helixtrans-63.4-40.2178.2-24.236.4000113.1V110 G177 V178 Y183 D184 I185V110-P181 HydrophobicContact CG2-CG 3.77Å; G177-P181 WeakPolarHBondContact O-CD 3.43Å; G177-P181 WeakPolarHBondContact O-CG 3.33Å; V178-P181 WeakPolarHBondContact O-CD 3.39Å; P181-Y183 VanDerWaalsContact C-N 3.32Å; P181-Y183 PolarHBondContact O-N 3.42Å; P181-D184 PolarHBondContact O-N 3.14Å; P181-I185 WeakPolarHBondContact O-CB 3.36Å; P181-I185 WeakPolarHBondContact O-CG1 3.49Å; P181-I185 PolarHBondContact O-N 3.32Å
182V85.6Confident82.7Confident38 Ų3855.6 Ų55.623%0.2329%0.292CS..Hα-helixtrans-66-38.9-179.6173.40000110.8V178 L180 T186 C210 A213V178-V182 HydrophobicContact CG1-CG2 3.95Å; V178-V182 VanDerWaalsContact O-CB 3.24Å; V178-V182 WeakPolarHBondContact O-CB 3.08Å; V178-V182 WeakPolarHBondContact O-CG2 3.28Å; V178-V182 PolarHBondContact O-N 3.12Å; V178-V182 VanDerWaalsContact O-N 3.09Å; L180-V182 PolarHBondContact O-N 3.35Å; V182-T186 VanDerWaalsContact O-CB 3.27Å; V182-T186 WeakPolarHBondContact O-CB 3.32Å; V182-T186 PolarHBondContact O-N 3.27Å; V182-T186 PolarHBondContact O-OG1 3.32Å; V182-C210 HydrophobicContact CG1-CB 4.47Å; V182-A213 HydrophobicContact CB-CB 4.3Å; V182-A213 HydrophobicContact CG1-CB 3.84Å; V182-A213 HydrophobicContact CG2-CB 3.93Å
183Y82.8Confident82.3Confident57 Ų5757.9 Ų57.922%0.22431%0.308CS..Hα-helixtrans-60.7-48.5174.5-179.7-94.4000111.3E179 L180 P181 T186 K187 H203 S206 C210E179-Y183 VanDerWaalsContact O-CB 3.22Å; E179-Y183 WeakPolarHBondContact O-CB 3.48Å; E179-Y183 PolarHBondContact O-N 3.43Å; L180-Y183 PolarHBondContact O-N 2.94Å; P181-Y183 VanDerWaalsContact C-N 3.32Å; P181-Y183 PolarHBondContact O-N 3.42Å; Y183-T186 PolarHBondContact O-N 3.16Å; Y183-K187 HydrophobicContact CE1-CD 4.32Å; Y183-K187 VanDerWaalsContact O-CB 3.25Å; Y183-K187 WeakPolarHBondContact O-CB 3.46Å; Y183-K187 PolarHBondContact O-N 2.73Å; Y183-H203 PolarHBondContact OH-ND1 2.92Å; Y183-S206 WeakPolarHBondContact CE2-OG 3.28Å; Y183-C210 HydrophobicContact CD2-CB 4.44Å
184D81.5Confident81.3Confident38 Ų3860 Ų6020%0.20333%0.332CS..Hα-helixtrans-68.2-41.2-178.3-72.4-33000112.9L106 L180 P181 K187 K188L106-D184 HydrophobicContact CD1-CB 3.84Å; L106-D184 HydrophobicContact CD2-CB 4.46Å; L106-D184 WeakPolarHBondContact CD2-OD2 3.26Å; L180-D184 PolarHBondContact O-N 3.41Å; L180-D184 VanDerWaalsContact O-N 3.11Å; P181-D184 PolarHBondContact O-N 3.14Å; D184-K187 PolarHBondContact O-N 2.9Å; D184-K188 WeakPolarHBondContact O-CB 3.37Å; D184-K188 VanDerWaalsContact O-CG 3.28Å; D184-K188 WeakPolarHBondContact O-CG 3.33Å; D184-K188 PolarHBondContact O-N 2.93Å
185I86Confident80Confident114 Ų11464.2 Ų64.259%0.58535%0.354SS*.Hα-helixtrans-62.9-47.6175.5-69166.4000109.8P181 K187 K188 H189P181-I185 WeakPolarHBondContact O-CB 3.36Å; P181-I185 WeakPolarHBondContact O-CG1 3.49Å; P181-I185 PolarHBondContact O-N 3.32Å; I185-K187 PolarHBondContact O-N 3.45Å; I185-K188 PolarHBondContact O-N 3.49Å; I185-H189 VanDerWaalsContact O-CB 3.27Å; I185-H189 WeakPolarHBondContact O-CB 3.23Å; I185-H189 PolarHBondContact O-N 3.39Å
186T83.1Confident78.7Confident25 Ų2566.9 Ų66.915%0.15337%0.366CS..Hα-helixtrans-63.9-44.4179.7-51.90000110.7V182 Y183 H189 L190 T209V182-T186 VanDerWaalsContact O-CB 3.27Å; V182-T186 WeakPolarHBondContact O-CB 3.32Å; V182-T186 PolarHBondContact O-N 3.27Å; V182-T186 PolarHBondContact O-OG1 3.32Å; Y183-T186 PolarHBondContact O-N 3.16Å; T186-H189 PolarHBondContact O-N 3.42Å; T186-L190 HydrophobicContact CG2-CD1 4.22Å; T186-L190 WeakPolarHBondContact O-CB 3.34Å; T186-L190 PolarHBondContact O-N 3.2Å; T186-T209 HydrophobicContact CG2-CG2 4.23Å; T186-T209 WeakPolarHBondContact CG2-OG1 3.19Å; T186-T209 PolarHBondContact OG1-OG1 3.34Å; T186-T209 VanDerWaalsContact OG1-OG1 3.1Å
187K81.3Confident77.8Confident43 Ų4368.7 Ų68.719%0.18739%0.386CS..Hα-helixtrans-60.7-49.3178.4-175.6177.3-179.7174.50111Y183 D184 I185 H189 L190 I191 D198 T202 H203Y183-K187 HydrophobicContact CE1-CD 4.32Å; Y183-K187 VanDerWaalsContact O-CB 3.25Å; Y183-K187 WeakPolarHBondContact O-CB 3.46Å; Y183-K187 PolarHBondContact O-N 2.73Å; D184-K187 PolarHBondContact O-N 2.9Å; I185-K187 PolarHBondContact O-N 3.45Å; K187-H189 VanDerWaalsContact C-N 3.33Å; K187-H189 PolarHBondContact O-N 3.19Å; K187-L190 PolarHBondContact O-N 3Å; K187-I191 HydrophobicContact CD-CD1 4.32Å; K187-I191 HydrophobicContact CG-CD1 3.76Å; K187-I191 VanDerWaalsContact O-CG1 3.3Å; K187-I191 WeakPolarHBondContact O-CG1 3.48Å; K187-I191 PolarHBondContact O-N 2.76Å; K187-D198 WeakPolarHBondContact CE-OD1 3.37Å; K187-D198 IonicContact NZ-OD1 3.21Å; K187-D198 PolarHBondContact NZ-OD1 3.13Å; K187-D198 IonicContact NZ-OD2 2.73Å; K187-D198 PolarHBondContact NZ-OD2 2.97Å; K187-T202 HydrophobicContact CG-CG2 4.48Å; K187-H203 PolarHBondContact NZ-CE1 2.66Å
188K83.1Confident77Confident118 Ų11872.5 Ų72.551%0.51340%0.401SS..Hα-helixtrans-60-44.3177.2-75.8177.3-178.5179.20111.4D184 I185 I191 L192D184-K188 WeakPolarHBondContact O-CB 3.37Å; D184-K188 VanDerWaalsContact O-CG 3.28Å; D184-K188 WeakPolarHBondContact O-CG 3.33Å; D184-K188 PolarHBondContact O-N 2.93Å; I185-K188 PolarHBondContact O-N 3.49Å; K188-I191 PolarHBondContact O-N 2.86Å; K188-L192 VanDerWaalsContact O-CB 3.27Å; K188-L192 WeakPolarHBondContact O-CB 3.34Å; K188-L192 WeakPolarHBondContact O-CD1 3.49Å; K188-L192 VanDerWaalsContact O-CG 3.22Å; K188-L192 WeakPolarHBondContact O-CG 3.08Å; K188-L192 PolarHBondContact O-N 2.98Å
189H83.8Confident76.4Confident129 Ų12973.4 Ų73.460%0.59741%0.407SS*.Hα-helixtrans-63.1-44.6179.4-16276.6000111.5I185 T186 K187 L192 S193I185-H189 VanDerWaalsContact O-CB 3.27Å; I185-H189 WeakPolarHBondContact O-CB 3.23Å; I185-H189 PolarHBondContact O-N 3.39Å; T186-H189 PolarHBondContact O-N 3.42Å; K187-H189 VanDerWaalsContact C-N 3.33Å; K187-H189 PolarHBondContact O-N 3.19Å; H189-L192 PolarHBondContact O-N 3.11Å; H189-S193 VanDerWaalsContact O-CB 3.24Å; H189-S193 WeakPolarHBondContact O-CB 3.46Å; H189-S193 PolarHBondContact O-N 3.41Å; H189-S193 PolarHBondContact O-OG 2.93Å
190L79.5Confident76Confident26 Ų2676.1 Ų76.114%0.13643%0.428CS..Hα-helixtrans-63.8-42.8178.5-117.177.7000113.1T186 K187 T202 L205T186-L190 HydrophobicContact CG2-CD1 4.22Å; T186-L190 WeakPolarHBondContact O-CB 3.34Å; T186-L190 PolarHBondContact O-N 3.2Å; K187-L190 PolarHBondContact O-N 3Å; L190-T202 HydrophobicContact CB-CG2 3.96Å; L190-T202 HydrophobicContact CD2-CG2 3.81Å; L190-L205 HydrophobicContact CD1-CD2 3.98Å; L190-L205 HydrophobicContact CD2-CB 4.26Å; L190-L205 HydrophobicContact CD2-CD2 3.86Å; L190-L205 HydrophobicContact CG-CD2 4.49Å
191I79.6Confident75.5Confident72 Ų7281.1 Ų81.137%0.36944%0.443SS..Hα-helixtrans-67.5-43.5179.4-67.2172.2000110.6K187 K188 S193 G194 T202K187-I191 HydrophobicContact CD-CD1 4.32Å; K187-I191 HydrophobicContact CG-CD1 3.76Å; K187-I191 VanDerWaalsContact O-CG1 3.3Å; K187-I191 WeakPolarHBondContact O-CG1 3.48Å; K187-I191 PolarHBondContact O-N 2.76Å; K188-I191 PolarHBondContact O-N 2.86Å; I191-S193 VanDerWaalsContact C-N 3.33Å; I191-S193 PolarHBondContact O-N 3.19Å; I191-G194 PolarHBondContact O-N 2.95Å; I191-T202 HydrophobicContact CG1-CG2 4.31Å
192L77Confident75.1Confident150 Ų15079.1 Ų79.179%0.78543%0.431SS*.Hα-helixtrans-71.6-27-179.9-72.1168.7000113.2K188 H189 G194K188-L192 VanDerWaalsContact O-CB 3.27Å; K188-L192 WeakPolarHBondContact O-CB 3.34Å; K188-L192 WeakPolarHBondContact O-CD1 3.49Å; K188-L192 VanDerWaalsContact O-CG 3.22Å; K188-L192 WeakPolarHBondContact O-CG 3.08Å; K188-L192 PolarHBondContact O-N 2.98Å; H189-L192 PolarHBondContact O-N 3.11Å; L192-G194 PolarHBondContact O-N 2.86Å
193S73.4Confident74.7Confident55 Ų5580.5 Ų80.539%0.38543%0.434SS..THydrogen-bonded Turntrans-71-9.4176.6-59.60000112.8H189 I191 L195H189-S193 VanDerWaalsContact O-CB 3.24Å; H189-S193 WeakPolarHBondContact O-CB 3.46Å; H189-S193 PolarHBondContact O-N 3.41Å; H189-S193 PolarHBondContact O-OG 2.93Å; I191-S193 VanDerWaalsContact C-N 3.33Å; I191-S193 PolarHBondContact O-N 3.19Å; S193-L195 PolarHBondContact O-N 2.92Å
194G62.8Low74.5Confident68 Ų6883.9 Ų83.970%0.70145%0.45SS*.THydrogen-bonded Turntrans67.80.6177.300000115.1I191 L192I191-G194 PolarHBondContact O-N 2.95Å; L192-G194 PolarHBondContact O-N 2.86Å
195L58.3Low74.4Confident149 Ų14985.8 Ų85.878%0.7846%0.46SS*.SBendtrans-72.3-31.5-178.8-96.9108.3000112.9S193S193-L195 PolarHBondContact O-N 2.92Å
196M55.4Low74Confident81 Ų8180.3 Ų80.340%0.39943%0.432SS..  trans-151.8129.8-178.7-67.4-177.2168.600110T202M196-T202 VanDerWaalsContact CB-OG1 3.27Å; M196-T202 WeakPolarHBondContact CB-OG1 3.44Å
197G61.8Low73.8Confident46 Ų4682.3 Ų82.347%0.47445%0.447SS..  trans-67.1-166.6171.500000112.8T199 T202G197-T199 PolarHBondContact O-N 3.25Å; G197-T199 PolarHBondContact O-OG1 3.35Å; G197-T202 WeakPolarHBondContact O-CB 3.42Å; G197-T202 PolarHBondContact O-OG1 3.14Å
198D66.7Low73.8Confident104 Ų10485.1 Ų85.156%0.55646%0.459SS*.SBendtrans-72.367.5172.8-148.421.5000110.4K187 H203K187-D198 WeakPolarHBondContact CE-OD1 3.37Å; K187-D198 IonicContact NZ-OD1 3.21Å; K187-D198 PolarHBondContact NZ-OD1 3.13Å; K187-D198 IonicContact NZ-OD2 2.73Å; K187-D198 PolarHBondContact NZ-OD2 2.97Å; D198-H203 IonicContact OD1-CD2 2.84Å; D198-H203 IonicContact OD1-CE1 2.88Å; D198-H203 IonicContact OD1-NE2 2.73Å; D198-H203 PolarHBondContact OD1-NE2 3.31Å; D198-H203 VanDerWaalsContact OD1-NE2 3.14Å
199T73.9Confident73.8Confident60 Ų6081.6 Ų81.637%0.36845%0.448SS..  trans-106.7161.9-175.947.90000110.1G197 Y201 T202 H203G197-T199 PolarHBondContact O-N 3.25Å; G197-T199 PolarHBondContact O-OG1 3.35Å; T199-Y201 PolarHBondContact O-N 3.25Å; T199-Y201 VanDerWaalsContact O-N 3.13Å; T199-T202 WeakPolarHBondContact O-CB 3.39Å; T199-T202 PolarHBondContact O-N 3.3Å; T199-T202 PolarHBondContact OG1-OG1 2.91Å; T199-H203 PolarHBondContact O-CD2 3.43Å; T199-H203 PolarHBondContact O-N 3.1Å
200V73.3Confident73.7Confident123 Ų12376.1 Ų76.175%0.74542%0.424SS*.Hα-helixtrans-54.3-34178.2-178.30000111.6H203 F204V200-H203 PolarHBondContact O-N 2.97Å; V200-F204 VanDerWaalsContact O-CB 3.32Å; V200-F204 WeakPolarHBondContact O-CB 3.35Å; V200-F204 PolarHBondContact O-N 2.9Å
201Y72.5Confident73.7Confident166 Ų16676.4 Ų76.465%0.65143%0.433SS*.Hα-helixtrans-65.4-41.3176.6-66.1-73000113.2T199 F204 L205T199-Y201 PolarHBondContact O-N 3.25Å; T199-Y201 VanDerWaalsContact O-N 3.13Å; Y201-F204 PolarHBondContact O-N 2.88Å; Y201-L205 WeakPolarHBondContact O-CB 3.4Å; Y201-L205 PolarHBondContact O-N 2.95Å
202T76.6Confident73.9Confident0 Ų075.5 Ų75.50%043%0.428CS..Hα-helixtrans-62.3-45.3176.1-61.10000111.1K187 L190 I191 M196 G197 T199 S206K187-T202 HydrophobicContact CG-CG2 4.48Å; L190-T202 HydrophobicContact CB-CG2 3.96Å; L190-T202 HydrophobicContact CD2-CG2 3.81Å; I191-T202 HydrophobicContact CG1-CG2 4.31Å; M196-T202 VanDerWaalsContact CB-OG1 3.27Å; M196-T202 WeakPolarHBondContact CB-OG1 3.44Å; G197-T202 WeakPolarHBondContact O-CB 3.42Å; G197-T202 PolarHBondContact O-OG1 3.14Å; T199-T202 WeakPolarHBondContact O-CB 3.39Å; T199-T202 PolarHBondContact O-N 3.3Å; T199-T202 PolarHBondContact OG1-OG1 2.91Å; T202-S206 VanDerWaalsContact O-CB 3.29Å; T202-S206 WeakPolarHBondContact O-CB 3.48Å; T202-S206 PolarHBondContact O-N 3.29Å; T202-S206 PolarHBondContact O-OG 2.92Å
203H77.1Confident74.3Confident66 Ų6669.6 Ų69.631%0.30640%0.401SS..Hα-helixtrans-63.6-40.3174.8-75.7-72.4000112.5Y183 K187 D198 T199 V200 S206 S207Y183-H203 PolarHBondContact OH-ND1 2.92Å; K187-H203 PolarHBondContact NZ-CE1 2.66Å; D198-H203 IonicContact OD1-CD2 2.84Å; D198-H203 IonicContact OD1-CE1 2.88Å; D198-H203 IonicContact OD1-NE2 2.73Å; D198-H203 PolarHBondContact OD1-NE2 3.31Å; D198-H203 VanDerWaalsContact OD1-NE2 3.14Å; T199-H203 PolarHBondContact O-CD2 3.43Å; T199-H203 PolarHBondContact O-N 3.1Å; V200-H203 PolarHBondContact O-N 2.97Å; H203-S206 WeakPolarHBondContact CA-OG 3.43Å; H203-S206 PolarHBondContact O-OG 2.84Å; H203-S206 VanDerWaalsContact O-OG 3.07Å; H203-S207 VanDerWaalsContact O-CB 3.22Å; H203-S207 WeakPolarHBondContact O-CB 3.31Å; H203-S207 PolarHBondContact O-N 3.39Å; H203-S207 PolarHBondContact O-OG 2.73Å
204F77.2Confident74.7Confident128 Ų12867 Ų6756%0.56138%0.383SS*.Hα-helixtrans-66.2-46.5178.5-173.2-94.3000111.6V200 Y201 S207 F208V200-F204 VanDerWaalsContact O-CB 3.32Å; V200-F204 WeakPolarHBondContact O-CB 3.35Å; V200-F204 PolarHBondContact O-N 2.9Å; Y201-F204 PolarHBondContact O-N 2.88Å; F204-S207 PolarHBondContact O-N 2.67Å; F204-F208 WeakPolarHBondContact O-CB 3.46Å; F204-F208 PolarHBondContact O-N 3.43Å
205L80.1Confident75.4Confident78 Ų7864.3 Ų64.341%0.40835%0.354SS..Hα-helixtrans-68.1-41.6-178.8-165.166.6000111.4L190 Y201 F208 T209L190-L205 HydrophobicContact CD1-CD2 3.98Å; L190-L205 HydrophobicContact CD2-CB 4.26Å; L190-L205 HydrophobicContact CD2-CD2 3.86Å; L190-L205 HydrophobicContact CG-CD2 4.49Å; Y201-L205 WeakPolarHBondContact O-CB 3.4Å; Y201-L205 PolarHBondContact O-N 2.95Å; L205-F208 PolarHBondContact O-N 3.48Å; L205-T209 WeakPolarHBondContact O-CG2 3.32Å; L205-T209 PolarHBondContact O-N 3.49Å; L205-T209 PolarHBondContact O-OG1 2.93Å
206S78.6Confident76.6Confident0 Ų061.1 Ų61.10%034%0.338CS..Hα-helixtrans-66.3-37.7175.365.10000112.4Y183 T202 H203 T209 C210Y183-S206 WeakPolarHBondContact CE2-OG 3.28Å; T202-S206 VanDerWaalsContact O-CB 3.29Å; T202-S206 WeakPolarHBondContact O-CB 3.48Å; T202-S206 PolarHBondContact O-N 3.29Å; T202-S206 PolarHBondContact O-OG 2.92Å; H203-S206 WeakPolarHBondContact CA-OG 3.43Å; H203-S206 PolarHBondContact O-OG 2.84Å; H203-S206 VanDerWaalsContact O-OG 3.07Å; S206-T209 PolarHBondContact O-OG1 3.19Å; S206-T209 VanDerWaalsContact O-OG1 3.08Å; S206-C210 WeakPolarHBondContact O-CB 3.02Å; S206-C210 PolarHBondContact O-N 3.21Å
207S79.1Confident78Confident66 Ų6658.9 Ų58.946%0.46233%0.332SS..Hα-helixtrans-65.9-36.8171.5-70.40000112.3H203 F204 G211H203-S207 VanDerWaalsContact O-CB 3.22Å; H203-S207 WeakPolarHBondContact O-CB 3.31Å; H203-S207 PolarHBondContact O-N 3.39Å; H203-S207 PolarHBondContact O-OG 2.73Å; F204-S207 PolarHBondContact O-N 2.67Å; S207-G211 PolarHBondContact O-N 2.97Å
208F80.8Confident79Confident102 Ų10257 Ų5745%0.44731%0.312SS..Hα-helixtrans-69.2-46.7178.6-175.2-101.3000112.3F204 L205 G211 L212F204-F208 WeakPolarHBondContact O-CB 3.46Å; F204-F208 PolarHBondContact O-N 3.43Å; L205-F208 PolarHBondContact O-N 3.48Å; F208-G211 PolarHBondContact O-N 3.49Å; F208-L212 HydrophobicContact CD1-CD1 3.85Å; F208-L212 HydrophobicContact CD1-CG 4.47Å; F208-L212 HydrophobicContact CE1-CD1 3.35Å; F208-L212 HydrophobicContact CE1-CG 4.15Å; F208-L212 HydrophobicContact CZ-CD1 3.84Å; F208-L212 HydrophobicContact CZ-CG 4.29Å; F208-L212 WeakPolarHBondContact O-CG 3.3Å; F208-L212 PolarHBondContact O-N 2.92Å
209T83Confident79.7Confident45 Ų4552.4 Ų52.428%0.27629%0.287SS..Hα-helixtrans-64.6-41.6176.557.40000111.6T186 L205 S206 L212 A213T186-T209 HydrophobicContact CG2-CG2 4.23Å; T186-T209 WeakPolarHBondContact CG2-OG1 3.19Å; T186-T209 PolarHBondContact OG1-OG1 3.34Å; T186-T209 VanDerWaalsContact OG1-OG1 3.1Å; L205-T209 WeakPolarHBondContact O-CG2 3.32Å; L205-T209 PolarHBondContact O-N 3.49Å; L205-T209 PolarHBondContact O-OG1 2.93Å; S206-T209 PolarHBondContact O-OG1 3.19Å; S206-T209 VanDerWaalsContact O-OG1 3.08Å; T209-L212 PolarHBondContact O-N 3.01Å; T209-A213 WeakPolarHBondContact O-CB 3.21Å; T209-A213 PolarHBondContact O-N 3.03Å
210C81.7Confident79.9Confident14 Ų1450.7 Ų50.710%0.09528%0.277CS..Hα-helixtrans-56.3-51172.3168.50000111.4E179 V182 Y183 S206 L212 A213 G214E179-C210 VanDerWaalsContact C-SG 3.57Å; E179-C210 WeakPolarHBondContact CA-SG 3.31Å; E179-C210 WeakPolarHBondContact CB-SG 3.47Å; E179-C210 PolarHBondContact O-SG 3.05Å; V182-C210 HydrophobicContact CG1-CB 4.47Å; Y183-C210 HydrophobicContact CD2-CB 4.44Å; S206-C210 WeakPolarHBondContact O-CB 3.02Å; S206-C210 PolarHBondContact O-N 3.21Å; C210-L212 VanDerWaalsContact C-N 3.34Å; C210-L212 PolarHBondContact O-N 3.46Å; C210-A213 PolarHBondContact O-N 3.39Å; C210-G214 PolarHBondContact O-N 2.96Å
211G79.4Confident80.3Confident31 Ų3145.8 Ų45.832%0.3225%0.247SC..Hα-helixtrans-62.6-37.6178.600000113.4S207 F208 A215S207-G211 PolarHBondContact O-N 2.97Å; F208-G211 PolarHBondContact O-N 3.49Å; G211-A215 VanDerWaalsContact O-CB 3.28Å; G211-A215 WeakPolarHBondContact O-CB 3.34Å; G211-A215 PolarHBondContact O-N 3.41Å
212L83.1Confident80.4Confident53 Ų5339.2 Ų39.228%0.27722%0.223SC..Hα-helixtrans-66.1-46.9174.1-76.6177000112.1F208 T209 C210 A215 L216 W269F208-L212 HydrophobicContact CD1-CD1 3.85Å; F208-L212 HydrophobicContact CD1-CG 4.47Å; F208-L212 HydrophobicContact CE1-CD1 3.35Å; F208-L212 HydrophobicContact CE1-CG 4.15Å; F208-L212 HydrophobicContact CZ-CD1 3.84Å; F208-L212 HydrophobicContact CZ-CG 4.29Å; F208-L212 WeakPolarHBondContact O-CG 3.3Å; F208-L212 PolarHBondContact O-N 2.92Å; T209-L212 PolarHBondContact O-N 3.01Å; C210-L212 VanDerWaalsContact C-N 3.34Å; C210-L212 PolarHBondContact O-N 3.46Å; L212-A215 PolarHBondContact O-N 3.03Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 3.2Å; L212-W269 HydrophobicContact CD2-CZ2 4.41Å; L212-W269 VanDerWaalsContact CD2-NE1 3.35Å
213A84.8Confident80.2Confident26 Ų2640 Ų4022%0.21523%0.228CC..Hα-helixtrans-63.8-42.8178.200000111.6V178 V182 T209 C210 L216 A217V178-A213 HydrophobicContact CG1-CB 4.03Å; V182-A213 HydrophobicContact CB-CB 4.3Å; V182-A213 HydrophobicContact CG1-CB 3.84Å; V182-A213 HydrophobicContact CG2-CB 3.93Å; T209-A213 WeakPolarHBondContact O-CB 3.21Å; T209-A213 PolarHBondContact O-N 3.03Å; C210-A213 PolarHBondContact O-N 3.39Å; A213-L216 PolarHBondContact O-N 3.49Å; A213-A217 WeakPolarHBondContact O-CB 3.25Å; A213-A217 PolarHBondContact O-N 3.16Å
214G82.3Confident80.1Confident1 Ų136.9 Ų36.91%0.0121%0.214CC..Hα-helixtrans-60.9-43.1174.300000112.2C210 S218C210-G214 PolarHBondContact O-N 2.96Å; G214-S218 VanDerWaalsContact O-CB 3.25Å; G214-S218 WeakPolarHBondContact O-CB 3.49Å; G214-S218 PolarHBondContact O-N 3.4Å; G214-S218 PolarHBondContact O-OG 3.22Å
215A77.8Confident79.9Confident11 Ų1132 Ų329%0.09119%0.192CC..Hα-helixtrans-62.6-47.8174.900000111.6G211 L212 A217 S218 N219 F265G211-A215 VanDerWaalsContact O-CB 3.28Å; G211-A215 WeakPolarHBondContact O-CB 3.34Å; G211-A215 PolarHBondContact O-N 3.41Å; L212-A215 PolarHBondContact O-N 3.03Å; A215-A217 PolarHBondContact O-N 3.45Å; A215-S218 PolarHBondContact O-N 2.92Å; A215-S218 PolarHBondContact O-OG 2.95Å; A215-N219 PolarHBondContact O-N 3.11Å; A215-N219 PolarHBondContact O-ND2 2.93Å; A215-N219 PolarHBondContact O-OD1 2.95Å; A215-F265 HydrophobicContact CB-CE2 4.15Å
216L84.3Confident79.2Confident83 Ų8331.1 Ų31.144%0.43519%0.19SC..Hα-helixtrans-59.6-44.6178.3-72.9171.6000112.2L212 A213 Y262 F265L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 3.2Å; A213-L216 PolarHBondContact O-N 3.49Å; L216-Y262 HydrophobicContact CD2-CE1 4.15Å; L216-F265 HydrophobicContact CD2-CE2 4.47Å; L216-F265 HydrophobicContact CD2-CZ 4.26Å
217A84.9Confident78.8Confident34 Ų3433.3 Ų33.328%0.28120%0.198SC..Hα-helixtrans-70.4-33.8179.700000113.2I174 V178 A213 A215I174-A217 HydrophobicContact CG2-CB 3.9Å; V178-A217 HydrophobicContact CB-CB 4.26Å; V178-A217 HydrophobicContact CG1-CB 4.14Å; V178-A217 HydrophobicContact CG2-CB 3.78Å; A213-A217 WeakPolarHBondContact O-CB 3.25Å; A213-A217 PolarHBondContact O-N 3.16Å; A215-A217 PolarHBondContact O-N 3.45Å
218S81.3Confident78.3Confident7 Ų732 Ų325%0.04919%0.185CC..Hα-helixtrans-86.6-21-177.360.30000114.4G214 A215 V221 D222G214-S218 VanDerWaalsContact O-CB 3.25Å; G214-S218 WeakPolarHBondContact O-CB 3.49Å; G214-S218 PolarHBondContact O-N 3.4Å; G214-S218 PolarHBondContact O-OG 3.22Å; A215-S218 PolarHBondContact O-N 2.92Å; A215-S218 PolarHBondContact O-OG 2.95Å; S218-V221 WeakPolarHBondContact O-CB 3.44Å; S218-V221 PolarHBondContact O-N 2.76Å; S218-V221 VanDerWaalsContact O-N 3.13Å; S218-D222 PolarHBondContact O-N 2.82Å
219N81.3Confident77.4Confident7 Ų729.7 Ų29.74%0.03718%0.176CC..Hα-helixtrans-54.6-46.6-178.4-73.5-41.4000114.6A215 V221 D222 V223 Y262 F265A215-N219 PolarHBondContact O-N 3.11Å; A215-N219 PolarHBondContact O-ND2 2.93Å; A215-N219 PolarHBondContact O-OD1 2.95Å; N219-V221 PolarHBondContact O-N 3.23Å; N219-D222 PolarHBondContact O-N 3.47Å; N219-D222 VanDerWaalsContact O-N 3.14Å; N219-V223 WeakPolarHBondContact O-CG2 3.22Å; N219-V223 PolarHBondContact O-N 3.02Å; N219-Y262 HydrophobicContact CB-CD1 4.3Å; N219-F265 WeakPolarHBondContact ND2-CD2 3.38Å; N219-F265 WeakPolarHBondContact ND2-CE2 3.27Å
220P79.6Confident76.3Confident23 Ų2330.6 Ų30.615%0.14918%0.179CC..Hα-helixtrans-61-37.5179.9-23.235.1000111.9V223 V224 L261P220-V223 PolarHBondContact O-N 2.65Å; P220-V224 WeakPolarHBondContact O-CG2 3.21Å; P220-V224 PolarHBondContact O-N 3.1Å; P220-L261 HydrophobicContact CB-CB 4.18Å; P220-L261 HydrophobicContact CB-CD2 4.4Å; P220-L261 HydrophobicContact CG-CB 4.44Å
221V80.7Confident75.1Confident20 Ų2032.2 Ų32.212%0.12119%0.185CC..Hα-helixtrans-68.8-40.3177.6-172.80000110.5Q170 R171 I174 S218 N219 V223 V224 R225Q170-V221 HydrophobicContact CB-CG1 4.48Å; R171-V221 HydrophobicContact CB-CG1 3.98Å; I174-V221 HydrophobicContact CD1-CG2 3.39Å; S218-V221 WeakPolarHBondContact O-CB 3.44Å; S218-V221 PolarHBondContact O-N 2.76Å; S218-V221 VanDerWaalsContact O-N 3.13Å; N219-V221 PolarHBondContact O-N 3.23Å; V221-V223 VanDerWaalsContact C-N 3.34Å; V221-V224 PolarHBondContact O-N 3.05Å; V221-R225 WeakPolarHBondContact O-CB 3.23Å; V221-R225 PolarHBondContact O-N 2.79Å
222D75.2Confident73.7Confident28 Ų2840.7 Ų40.715%0.1521%0.208CC..Hα-helixtrans-63.5-40175.8-77.6-13.8000111.3R171 S218 N219 T226R171-D222 WeakPolarHBondContact CD-OD1 2.95Å; R171-D222 IonicContact CZ-OD1 2.9Å; R171-D222 IonicContact NE-OD1 3.2Å; R171-D222 PolarHBondContact NE-OD1 3.06Å; R171-D222 IonicContact NE-OD2 2.69Å; R171-D222 IonicContact NH2-OD2 2.84Å; S218-D222 PolarHBondContact O-N 2.82Å; N219-D222 PolarHBondContact O-N 3.47Å; N219-D222 VanDerWaalsContact O-N 3.14Å; D222-T226 WeakPolarHBondContact O-CB 3.31Å; D222-T226 VanDerWaalsContact O-CG2 3.27Å; D222-T226 WeakPolarHBondContact O-CG2 3.46Å; D222-T226 PolarHBondContact O-N 3Å; D222-T226 PolarHBondContact O-OG1 3.27Å
223V72.8Confident72.2Confident16 Ų1644.5 Ų44.510%0.09723%0.233CC..Hα-helixtrans-66.1-45.9174.91730000111.4N219 P220 V221 T226 R227 L261N219-V223 WeakPolarHBondContact O-CG2 3.22Å; N219-V223 PolarHBondContact O-N 3.02Å; P220-V223 PolarHBondContact O-N 2.65Å; V221-V223 VanDerWaalsContact C-N 3.34Å; V223-T226 WeakPolarHBondContact CA-OG1 3.43Å; V223-T226 PolarHBondContact O-N 3.11Å; V223-T226 PolarHBondContact O-OG1 3.29Å; V223-R227 WeakPolarHBondContact O-CB 3.19Å; V223-R227 VanDerWaalsContact O-CG 3.27Å; V223-R227 WeakPolarHBondContact O-CG 3.45Å; V223-R227 PolarHBondContact O-N 3.03Å; V223-L261 VanDerWaalsContact CG2-O 3.31Å; V223-L261 WeakPolarHBondContact CG2-O 3.21Å
224V74.3Confident70.2Confident1 Ų147.4 Ų47.41%0.00625%0.245CC..Hα-helixtrans-65.3-41.4177.2172.80000111.1L167 P220 V221 T226 R227 M228 T245 C248 L249L167-V224 HydrophobicContact CD2-CG1 4.32Å; P220-V224 WeakPolarHBondContact O-CG2 3.21Å; P220-V224 PolarHBondContact O-N 3.1Å; V221-V224 PolarHBondContact O-N 3.05Å; V224-T226 PolarHBondContact O-N 3.47Å; V224-R227 PolarHBondContact O-N 2.89Å; V224-M228 HydrophobicContact CG1-CG 4.15Å; V224-M228 HydrophobicContact CG1-SD 3.95Å; V224-M228 WeakPolarHBondContact O-CB 3.49Å; V224-M228 WeakPolarHBondContact O-CG 3.5Å; V224-M228 PolarHBondContact O-N 2.94Å; V224-T245 HydrophobicContact CG1-CG2 3.52Å; V224-C248 HydrophobicContact CG1-CB 3.82Å; V224-L249 HydrophobicContact CG2-CB 3.99Å; V224-L249 HydrophobicContact CG2-CD1 4.41Å; V224-L249 HydrophobicContact CG2-CG 4.36Å
225R73.8Confident68.1Low27 Ų2759.7 Ų59.710%0.10229%0.291CS..Hα-helixtrans-59.8-48.7177.6178.3177.3-176.9-178.42.9111.1D128 L167 T168 V221 R227 M228 M229D128-R225 IonicContact OD2-NH2 2.7Å; D128-R225 PolarHBondContact OD2-NH2 3.44Å; L167-R225 HydrophobicContact CB-CB 4.13Å; L167-R225 HydrophobicContact CB-CG 3.87Å; L167-R225 HydrophobicContact CD1-CB 4.49Å; L167-R225 HydrophobicContact CD1-CG 4.33Å; L167-R225 HydrophobicContact CD2-CB 4.43Å; T168-R225 PolarHBondContact OG1-NH2 3.41Å; V221-R225 WeakPolarHBondContact O-CB 3.23Å; V221-R225 PolarHBondContact O-N 2.79Å; R225-R227 VanDerWaalsContact C-N 3.33Å; R225-R227 PolarHBondContact O-N 3.49Å; R225-M228 PolarHBondContact O-N 2.86Å; R225-M229 HydrophobicContact CG-CE 4.21Å; R225-M229 HydrophobicContact CG-CG 4.21Å; R225-M229 HydrophobicContact CG-SD 3.6Å; R225-M229 VanDerWaalsContact O-CB 3.24Å; R225-M229 WeakPolarHBondContact O-CB 3.44Å; R225-M229 VanDerWaalsContact O-CG 3.27Å; R225-M229 WeakPolarHBondContact O-CG 3.29Å; R225-M229 PolarHBondContact O-N 3.28Å
226T64.4Low66.3Low59 Ų5965.4 Ų65.436%0.36232%0.32SS..Hα-helixtrans-63.5-39.2178.949.80000111.7D222 V223 V224 N230D222-T226 WeakPolarHBondContact O-CB 3.31Å; D222-T226 VanDerWaalsContact O-CG2 3.27Å; D222-T226 WeakPolarHBondContact O-CG2 3.46Å; D222-T226 PolarHBondContact O-N 3Å; D222-T226 PolarHBondContact O-OG1 3.27Å; V223-T226 WeakPolarHBondContact CA-OG1 3.43Å; V223-T226 PolarHBondContact O-N 3.11Å; V223-T226 PolarHBondContact O-OG1 3.29Å; V224-T226 PolarHBondContact O-N 3.47Å; T226-N230 WeakPolarHBondContact O-CB 3.46Å; T226-N230 PolarHBondContact O-N 3.38Å
227R70.4Confident64.6Low46 Ų4665.1 Ų65.117%0.17434%0.336CS..Hα-helixtrans-65.2-47.4174.7-73.1175.2-175.1-125-10113V223 V224 R225 N230 Q231 Y242 T252 E256V223-R227 WeakPolarHBondContact O-CB 3.19Å; V223-R227 VanDerWaalsContact O-CG 3.27Å; V223-R227 WeakPolarHBondContact O-CG 3.45Å; V223-R227 PolarHBondContact O-N 3.03Å; V224-R227 PolarHBondContact O-N 2.89Å; R225-R227 VanDerWaalsContact C-N 3.33Å; R225-R227 PolarHBondContact O-N 3.49Å; R227-N230 PolarHBondContact O-N 3.44Å; R227-Q231 PolarHBondContact O-N 2.85Å; R227-Y242 HydrophobicContact CB-CE2 3.97Å; R227-T252 VanDerWaalsContact CZ-CG2 3.45Å; R227-T252 VanDerWaalsContact NH1-CG2 3.29Å; R227-T252 PolarHBondContact NH1-OG1 3.47Å; R227-E256 IonicContact CZ-OE1 3.79Å; R227-E256 IonicContact CZ-OE2 2.87Å; R227-E256 IonicContact NH1-OE1 3.11Å; R227-E256 PolarHBondContact NH1-OE1 2.85Å; R227-E256 IonicContact NH2-OE1 3.9Å; R227-E256 PolarHBondContact NH2-OE1 3.42Å; R227-E256 IonicContact NH2-OE2 3.9Å; R227-E256 PolarHBondContact NH2-OE2 2.77Å
228M68.7Low62.6Low39 Ų3973 Ų7319%0.19236%0.359CS..Hα-helixtrans-69.6-42.1-179.6-75.9-170.773.900113.2L167 V224 R225 N230 Q231 T245 C248L167-M228 HydrophobicContact CD1-CB 3.72Å; L167-M228 HydrophobicContact CD1-CE 4.33Å; L167-M228 HydrophobicContact CD1-CG 4.41Å; L167-M228 HydrophobicContact CD1-SD 3.86Å; L167-M228 HydrophobicContact CD2-SD 3.72Å; L167-M228 HydrophobicContact CG-SD 4.25Å; V224-M228 HydrophobicContact CG1-CG 4.15Å; V224-M228 HydrophobicContact CG1-SD 3.95Å; V224-M228 WeakPolarHBondContact O-CB 3.49Å; V224-M228 WeakPolarHBondContact O-CG 3.5Å; V224-M228 PolarHBondContact O-N 2.94Å; R225-M228 PolarHBondContact O-N 2.86Å; M228-N230 PolarHBondContact O-N 3.05Å; M228-Q231 WeakPolarHBondContact O-CB 3.27Å; M228-Q231 PolarHBondContact O-N 2.94Å; M228-Q231 VanDerWaalsContact O-N 3.12Å; M228-T245 WeakPolarHBondContact SD-CA 3.19Å; M228-T245 HydrophobicContact SD-CG2 4.26Å; M228-T245 PolarHBondContact SD-N 2.84Å; M228-C248 HydrophobicContact CG-CB 3.99Å; M228-C248 HydrophobicContact SD-CB 4.41Å
229M61.8Low60.9Low52 Ų5282.3 Ų82.326%0.25639%0.393SS..Hα-helixtrans-63.6-27.3175.5-74.8-178.6152.200111.5I132 R225I132-M229 HydrophobicContact CD1-CE 4.45Å; I132-M229 HydrophobicContact CD1-SD 3.91Å; R225-M229 HydrophobicContact CG-CE 4.21Å; R225-M229 HydrophobicContact CG-CG 4.21Å; R225-M229 HydrophobicContact CG-SD 3.6Å; R225-M229 VanDerWaalsContact O-CB 3.24Å; R225-M229 WeakPolarHBondContact O-CB 3.44Å; R225-M229 VanDerWaalsContact O-CG 3.27Å; R225-M229 WeakPolarHBondContact O-CG 3.29Å; R225-M229 PolarHBondContact O-N 3.28Å
230N59.8Low59.2Low65 Ų6586 Ų8635%0.34842%0.419SS..THydrogen-bonded Turntrans-85-5.4176.1-174.546.2000114.8Q38 T226 R227 M228 R232Q38-N230 WeakPolarHBondContact CB-ND2 3.37Å; Q38-N230 VanDerWaalsContact CD-OD1 3.3Å; Q38-N230 WeakPolarHBondContact CG-ND2 3.13Å; Q38-N230 PolarHBondContact NE2-ND2 2.9Å; Q38-N230 PolarHBondContact OE1-ND2 3.5Å; Q38-N230 PolarHBondContact OE1-OD1 2.67Å; T226-N230 WeakPolarHBondContact O-CB 3.46Å; T226-N230 PolarHBondContact O-N 3.38Å; R227-N230 PolarHBondContact O-N 3.44Å; M228-N230 PolarHBondContact O-N 3.05Å; N230-R232 PolarHBondContact O-N 2.96Å
231Q56.9Low58.2Low47 Ų4786.5 Ų86.522%0.2243%0.428CS..  trans-67.8119.9178.5-173.3176.3-22.600110.7R227 M228 Y242R227-Q231 PolarHBondContact O-N 2.85Å; M228-Q231 WeakPolarHBondContact O-CB 3.27Å; M228-Q231 PolarHBondContact O-N 2.94Å; M228-Q231 VanDerWaalsContact O-N 3.12Å; Q231-Y242 VanDerWaalsContact CD-N 3.33Å; Q231-Y242 PolarHBondContact NE2-O 2.9Å; Q231-Y242 PolarHBondContact OE1-O 2.96Å
232R50.3Low57.3Low209 Ų20987.8 Ų87.879%0.78943%0.431SS*.  trans-82.1134.2172.4-70.8-174-178.9-177.11.5110N230 L234N230-R232 PolarHBondContact O-N 2.96Å; R232-L234 PolarHBondContact O-N 3.36Å
233V50.8Low56.8Low133 Ų13391.2 Ų91.281%0.80645%0.453SS*.  trans-74.4105.3165.2-178.70000106.2R235V233-R235 PolarHBondContact O-N 2.69Å
234L42.5Very low56.7Low88 Ų8891.6 Ų91.646%0.46146%0.461SS..  trans-62.9135.9171.8-81142.4000109R232 D236 S240R232-L234 PolarHBondContact O-N 3.36Å; L234-D236 PolarHBondContact O-N 2.93Å; L234-S240 VanDerWaalsContact CD1-CB 3.42Å
235R39.5Very low56.5Low259 Ų25993 Ų9398%0.97747%0.469SS*.THydrogen-bonded Turntrans-633.1-173.8-164174.1165.5-178.9-4.5114.2V233V233-R235 PolarHBondContact O-N 2.69Å
236D40Very low56.7Low131 Ų13198.1 Ų98.170%0.70150%0.498SS*.THydrogen-bonded Turntrans-110.616.5-170-156.327.7000113.6L234 R238L234-D236 PolarHBondContact O-N 2.93Å; D236-R238 PolarHBondContact O-N 2.67Å
237G47Very low57.4Low76 Ų7698 Ų9878%0.78450%0.495SS*.SBendtrans68.1-14.8177.300000115.6R239G237-R239 PolarHBondContact O-N 2.97Å
238R43.2Very low57.5Low200 Ų20095.8 Ų95.876%0.75549%0.486SS*.  trans-80.6111.9170.3-68.4-177.3178.4-1760.5109.5D236 S240D236-R238 PolarHBondContact O-N 2.67Å; R238-S240 VanDerWaalsContact C-N 3.32Å; R238-S240 PolarHBondContact O-N 3.49Å
239R46.7Very low58Low203 Ų20396.4 Ų96.477%0.76649%0.49SS*.  trans-64.187.8169.9-65.5179.1-177.3172.11.1109.1G237 G241G237-R239 PolarHBondContact O-N 2.97Å; R239-G241 PolarHBondContact O-N 3.37Å
240S45.5Very low58.9Low84 Ų8499 Ų9959%0.58751%0.505SS*.  trans-85.2100.4162.71620000107.9L234 R238L234-S240 VanDerWaalsContact CD1-CB 3.42Å; R238-S240 VanDerWaalsContact C-N 3.32Å; R238-S240 PolarHBondContact O-N 3.49Å
241G59Low59.6Low33 Ų3399.8 Ų99.834%0.3451%0.506SS..SBendtrans149.7-179.7175.100000111.9R239 T243R239-G241 PolarHBondContact O-N 3.37Å; G241-T243 PolarHBondContact O-N 2.95Å
242Y60.2Low60.4Low48 Ų4897.6 Ų97.619%0.18850%0.496CS..  trans-57.3133.2-175.6-49.4-68.8000112.4R227 Q231 G244 C248 Q251R227-Y242 HydrophobicContact CB-CE2 3.97Å; Q231-Y242 VanDerWaalsContact CD-N 3.33Å; Q231-Y242 PolarHBondContact NE2-O 2.9Å; Q231-Y242 PolarHBondContact OE1-O 2.96Å; Y242-G244 VanDerWaalsContact C-N 3.34Å; Y242-C248 HydrophobicContact CD1-CB 3.61Å; Y242-C248 HydrophobicContact CD2-CB 3.95Å; Y242-C248 WeakPolarHBondContact CD2-SG 3.48Å; Y242-C248 HydrophobicContact CE1-CB 4.1Å; Y242-C248 HydrophobicContact CE2-CB 4.46Å; Y242-C248 WeakPolarHBondContact CE2-SG 3.42Å; Y242-C248 HydrophobicContact CG-CB 3.46Å; Y242-C248 VanDerWaalsContact CG-CB 3.46Å; Y242-C248 VanDerWaalsContact CG-SG 3.58Å; Y242-C248 VanDerWaalsContact CZ-SG 3.57Å; Y242-Q251 HydrophobicContact CD1-CB 4.38Å; Y242-Q251 HydrophobicContact CE1-CB 4.02Å; Y242-Q251 HydrophobicContact CE1-CG 4.22Å
243T64.3Low61.8Low100 Ų10094.2 Ų94.261%0.61348%0.483SS*.SBendtrans-79.7-20.9178.357.60000112.5G241 D247G241-T243 PolarHBondContact O-N 2.95Å; T243-D247 WeakPolarHBondContact CB-OD2 3.4Å; T243-D247 PolarHBondContact N-OD2 3.46Å; T243-D247 WeakPolarHBondContact OG1-CB 3.39Å; T243-D247 VanDerWaalsContact OG1-CG 3.26Å; T243-D247 PolarHBondContact OG1-OD2 3.13Å
244G70.7Confident63.1Low24 Ų2496.6 Ų96.625%0.24748%0.483CS..SBendtrans-170.1178.9176.100000112.8Y242 L246 D247 C248Y242-G244 VanDerWaalsContact C-N 3.34Å; G244-L246 VanDerWaalsContact C-N 3.33Å; G244-L246 PolarHBondContact O-N 2.89Å; G244-D247 PolarHBondContact O-N 3.49Å; G244-C248 PolarHBondContact O-N 3.29Å
245T72.1Confident64.6Low29 Ų2997.7 Ų97.718%0.17849%0.489CS..Hα-helixtrans-58.6-43-179.6-46.50000112.9L167 V224 M228 C248 L249L167-T245 HydrophobicContact CD2-CG2 3.58Å; L167-T245 WeakPolarHBondContact CD2-OG1 3.48Å; V224-T245 HydrophobicContact CG1-CG2 3.52Å; M228-T245 WeakPolarHBondContact SD-CA 3.19Å; M228-T245 HydrophobicContact SD-CG2 4.26Å; M228-T245 PolarHBondContact SD-N 2.84Å; T245-C248 PolarHBondContact O-N 3.46Å; T245-L249 WeakPolarHBondContact O-CB 3.24Å; T245-L249 PolarHBondContact O-N 2.86Å
246L77.4Confident66.1Low136 Ų13689.5 Ų89.571%0.71246%0.462SS*.Hα-helixtrans-70-39.4-179.7-65.6175.9000111.8G244 C248 L249 L250G244-L246 VanDerWaalsContact C-N 3.33Å; G244-L246 PolarHBondContact O-N 2.89Å; L246-C248 VanDerWaalsContact C-N 3.33Å; L246-C248 PolarHBondContact O-N 2.9Å; L246-L249 PolarHBondContact O-N 3.1Å; L246-L250 WeakPolarHBondContact O-CB 3.14Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.16Å; L246-L250 PolarHBondContact O-N 2.99Å
247D78.8Confident67.9Low55 Ų5584.7 Ų84.729%0.29444%0.443SS..Hα-helixtrans-63.3-41.3174.8-174.631.8000111T243 G244 L249 L250 Q251T243-D247 WeakPolarHBondContact CB-OD2 3.4Å; T243-D247 PolarHBondContact N-OD2 3.46Å; T243-D247 WeakPolarHBondContact OG1-CB 3.39Å; T243-D247 VanDerWaalsContact OG1-CG 3.26Å; T243-D247 PolarHBondContact OG1-OD2 3.13Å; G244-D247 PolarHBondContact O-N 3.49Å; D247-L249 PolarHBondContact O-N 2.95Å; D247-L250 PolarHBondContact O-N 2.74Å; D247-Q251 WeakPolarHBondContact O-CB 3.47Å; D247-Q251 PolarHBondContact O-N 3.42Å
248C73.4Confident69.3Low0 Ų085.9 Ų85.90%043%0.427CS..Hα-helixtrans-61.5-44.5173.3-1710000113.3V224 M228 Y242 G244 T245 L246 T252V224-C248 HydrophobicContact CG1-CB 3.82Å; M228-C248 HydrophobicContact CG-CB 3.99Å; M228-C248 HydrophobicContact SD-CB 4.41Å; Y242-C248 HydrophobicContact CD1-CB 3.61Å; Y242-C248 HydrophobicContact CD2-CB 3.95Å; Y242-C248 WeakPolarHBondContact CD2-SG 3.48Å; Y242-C248 HydrophobicContact CE1-CB 4.1Å; Y242-C248 HydrophobicContact CE2-CB 4.46Å; Y242-C248 WeakPolarHBondContact CE2-SG 3.42Å; Y242-C248 HydrophobicContact CG-CB 3.46Å; Y242-C248 VanDerWaalsContact CG-CB 3.46Å; Y242-C248 VanDerWaalsContact CG-SG 3.58Å; Y242-C248 VanDerWaalsContact CZ-SG 3.57Å; G244-C248 PolarHBondContact O-N 3.29Å; T245-C248 PolarHBondContact O-N 3.46Å; L246-C248 VanDerWaalsContact C-N 3.33Å; L246-C248 PolarHBondContact O-N 2.9Å; C248-T252 WeakPolarHBondContact O-CB 3.18Å; C248-T252 PolarHBondContact O-N 3.44Å; C248-T252 PolarHBondContact O-OG1 3.02Å
249L78.7Confident70.9Confident52 Ų5284.7 Ų84.727%0.27243%0.428SS..Hα-helixtrans-64.2-48.4178.5-169.2150.1000111.1V224 T245 L246 D247 T252 W253V224-L249 HydrophobicContact CG2-CB 3.99Å; V224-L249 HydrophobicContact CG2-CD1 4.41Å; V224-L249 HydrophobicContact CG2-CG 4.36Å; T245-L249 WeakPolarHBondContact O-CB 3.24Å; T245-L249 PolarHBondContact O-N 2.86Å; L246-L249 PolarHBondContact O-N 3.1Å; D247-L249 PolarHBondContact O-N 2.95Å; L249-T252 PolarHBondContact O-N 3.05Å; L249-W253 HydrophobicContact CD2-CE3 4.45Å; L249-W253 WeakPolarHBondContact O-CB 3.27Å; L249-W253 PolarHBondContact O-N 3.47Å
250L80.3Confident71.9Confident108 Ų10875.1 Ų75.157%0.56539%0.392SS*.Hα-helixtrans-64.2-45.6-179.4-73.3171000112L246 D247 T252 W253 K254L246-L250 WeakPolarHBondContact O-CB 3.14Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.16Å; L246-L250 PolarHBondContact O-N 2.99Å; D247-L250 PolarHBondContact O-N 2.74Å; L250-T252 VanDerWaalsContact C-N 3.33Å; L250-T252 PolarHBondContact O-N 2.93Å; L250-W253 PolarHBondContact O-N 3.04Å; L250-K254 VanDerWaalsContact O-CB 3.31Å; L250-K254 WeakPolarHBondContact O-CB 3.17Å; L250-K254 PolarHBondContact O-N 3.28Å
251Q74.6Confident73.2Confident81 Ų8171.5 Ų71.538%0.37937%0.366SS..Hα-helixtrans-68-35.4179-170.5172.354.100111.6Y242 D247 N255Y242-Q251 HydrophobicContact CD1-CB 4.38Å; Y242-Q251 HydrophobicContact CE1-CB 4.02Å; Y242-Q251 HydrophobicContact CE1-CG 4.22Å; D247-Q251 WeakPolarHBondContact O-CB 3.47Å; D247-Q251 PolarHBondContact O-N 3.42Å; Q251-N255 VanDerWaalsContact CG-ND2 3.26Å; Q251-N255 WeakPolarHBondContact CG-ND2 3.47Å; Q251-N255 WeakPolarHBondContact O-CB 3.35Å; Q251-N255 VanDerWaalsContact O-CG 3.23Å; Q251-N255 PolarHBondContact O-N 2.9Å
252T74.3Confident73.9Confident1 Ų173.4 Ų73.41%0.00636%0.364CS..Hα-helixtrans-64.8-45.7173.7-61.30000111.3R227 C248 L249 L250 E256 A260 L261R227-T252 VanDerWaalsContact CZ-CG2 3.45Å; R227-T252 VanDerWaalsContact NH1-CG2 3.29Å; R227-T252 PolarHBondContact NH1-OG1 3.47Å; C248-T252 WeakPolarHBondContact O-CB 3.18Å; C248-T252 PolarHBondContact O-N 3.44Å; C248-T252 PolarHBondContact O-OG1 3.02Å; L249-T252 PolarHBondContact O-N 3.05Å; L250-T252 VanDerWaalsContact C-N 3.33Å; L250-T252 PolarHBondContact O-N 2.93Å; T252-E256 WeakPolarHBondContact O-CB 3.31Å; T252-E256 PolarHBondContact O-N 3.37Å; T252-A260 HydrophobicContact CG2-CB 4.01Å; T252-L261 HydrophobicContact CG2-CD2 3.93Å
253W79.6Confident74.1Confident137 Ų13777.1 Ų77.152%0.51938%0.381SS..Hα-helixtrans-63.6-48.5177.2-172.5-5.6000111.1L249 L250 N255 G257L249-W253 HydrophobicContact CD2-CE3 4.45Å; L249-W253 WeakPolarHBondContact O-CB 3.27Å; L249-W253 PolarHBondContact O-N 3.47Å; L250-W253 PolarHBondContact O-N 3.04Å; W253-N255 PolarHBondContact O-N 3.08Å; W253-G257 WeakPolarHBondContact O-CA 3.37Å; W253-G257 PolarHBondContact O-N 3.39Å
254K77.3Confident74Confident183 Ų18373.8 Ų73.880%0.79637%0.367SS*.Hα-helixtrans-66.7-36.8-177-169.3175.9179.3179.60113.2L250L250-K254 VanDerWaalsContact O-CB 3.31Å; L250-K254 WeakPolarHBondContact O-CB 3.17Å; L250-K254 PolarHBondContact O-N 3.28Å
255N74.8Confident73.8Confident112 Ų11274.9 Ų74.960%0.59937%0.365SS*.Hα-helixtrans-94.5-30.7-173.1-63.4-8.8000113.9Q251 W253Q251-N255 VanDerWaalsContact CG-ND2 3.26Å; Q251-N255 WeakPolarHBondContact CG-ND2 3.47Å; Q251-N255 WeakPolarHBondContact O-CB 3.35Å; Q251-N255 VanDerWaalsContact O-CG 3.23Å; Q251-N255 PolarHBondContact O-N 2.9Å; W253-N255 PolarHBondContact O-N 3.08Å
256E71.1Confident73.5Confident86 Ų8681.2 Ų81.240%0.40239%0.385SS..Hα-helixtrans-119.6-5.2-175.9-63.8-178.5-130.900114.1R227 T252 A260 K263R227-E256 IonicContact CZ-OE1 3.79Å; R227-E256 IonicContact CZ-OE2 2.87Å; R227-E256 IonicContact NH1-OE1 3.11Å; R227-E256 PolarHBondContact NH1-OE1 2.85Å; R227-E256 IonicContact NH2-OE1 3.9Å; R227-E256 PolarHBondContact NH2-OE1 3.42Å; R227-E256 IonicContact NH2-OE2 3.9Å; R227-E256 PolarHBondContact NH2-OE2 2.77Å; T252-E256 WeakPolarHBondContact O-CB 3.31Å; T252-E256 PolarHBondContact O-N 3.37Å; E256-A260 HydrophobicContact CB-CB 3.36Å; E256-A260 HydrophobicContact CG-CB 4.45Å; E256-K263 IonicContact OE2-NZ 3.38Å; E256-K263 PolarHBondContact OE2-NZ 3.25Å
257G77.9Confident72.8Confident30 Ų3076.9 Ų76.931%0.30937%0.365SS..  trans83.4169.7-17900000114.3W253 F259 A260W253-G257 WeakPolarHBondContact O-CA 3.37Å; W253-G257 PolarHBondContact O-N 3.39Å; G257-F259 VanDerWaalsContact C-N 3.32Å; G257-F259 PolarHBondContact O-N 3.15Å; G257-A260 WeakPolarHBondContact O-CB 3.48Å; G257-A260 PolarHBondContact O-N 3.22Å; G257-A260 VanDerWaalsContact O-N 3.1Å
258F75.4Confident72.2Confident102 Ų10275.6 Ų75.645%0.44736%0.358SS..G310 helixtrans-60.6-37.6-177.3-178.6-101.9000113.2A260 L261 Y262F258-A260 PolarHBondContact O-N 3.02Å; F258-A260 VanDerWaalsContact O-N 3.15Å; F258-L261 HydrophobicContact CD2-CD1 4.36Å; F258-L261 WeakPolarHBondContact O-CB 3.3Å; F258-L261 PolarHBondContact O-N 2.9Å; F258-L261 VanDerWaalsContact O-N 3.13Å; F258-Y262 HydrophobicContact CD1-CE2 4.37Å; F258-Y262 HydrophobicContact CE1-CD2 4.29Å; F258-Y262 AromaticContact CE1-CE2 3.64Å; F258-Y262 HydrophobicContact CE1-CE2 3.64Å; F258-Y262 HydrophobicContact CE2-CE2 4.44Å; F258-Y262 AromaticContact CZ-CE2 3.7Å; F258-Y262 HydrophobicContact CZ-CE2 3.7Å
259F76.1Confident71.9Confident175 Ų17579.9 Ų79.977%0.76838%0.375SS*.G310 helixtrans-64.4-18.1178-75.6-76.6000113.6G257 L261 Y262 K263G257-F259 VanDerWaalsContact C-N 3.32Å; G257-F259 PolarHBondContact O-N 3.15Å; F259-L261 PolarHBondContact O-N 3.18Å; F259-Y262 PolarHBondContact O-N 3.33Å; F259-Y262 VanDerWaalsContact O-N 3.16Å; F259-K263 PolarHBondContact O-N 3.29Å
260A68.8Low71.3Confident1 Ų181.4 Ų81.41%0.00838%0.383CS..G310 helixtrans-64.7-27.8174.700000113.1T252 E256 G257 F258 Y262 K263T252-A260 HydrophobicContact CG2-CB 4.01Å; E256-A260 HydrophobicContact CB-CB 3.36Å; E256-A260 HydrophobicContact CG-CB 4.45Å; G257-A260 WeakPolarHBondContact O-CB 3.48Å; G257-A260 PolarHBondContact O-N 3.22Å; G257-A260 VanDerWaalsContact O-N 3.1Å; F258-A260 PolarHBondContact O-N 3.02Å; F258-A260 VanDerWaalsContact O-N 3.15Å; A260-Y262 PolarHBondContact O-N 3.17Å; A260-K263 HydrophobicContact CB-CD 4.36Å; A260-K263 WeakPolarHBondContact O-CB 3.32Å; A260-K263 PolarHBondContact O-N 2.98Å
261L71.8Confident70.7Confident8 Ų879 Ų794%0.04237%0.366CS..G310 helixtrans-71.6-16.5176.5-63.1172.3000113.1P220 V223 T252 F258 F259P220-L261 HydrophobicContact CB-CB 4.18Å; P220-L261 HydrophobicContact CB-CD2 4.4Å; P220-L261 HydrophobicContact CG-CB 4.44Å; V223-L261 VanDerWaalsContact CG2-O 3.31Å; V223-L261 WeakPolarHBondContact CG2-O 3.21Å; T252-L261 HydrophobicContact CG2-CD2 3.93Å; F258-L261 HydrophobicContact CD2-CD1 4.36Å; F258-L261 WeakPolarHBondContact O-CB 3.3Å; F258-L261 PolarHBondContact O-N 2.9Å; F258-L261 VanDerWaalsContact O-N 3.13Å; F259-L261 PolarHBondContact O-N 3.18Å
262Y74Confident70.3Confident74 Ų7477.8 Ų77.829%0.2936%0.362SS..G310 helixtrans-107.42.6177-66.6-90.1000112.6L216 N219 F258 F259 A260 G264 F265L216-Y262 HydrophobicContact CD2-CE1 4.15Å; N219-Y262 HydrophobicContact CB-CD1 4.3Å; F258-Y262 HydrophobicContact CD1-CE2 4.37Å; F258-Y262 HydrophobicContact CE1-CD2 4.29Å; F258-Y262 AromaticContact CE1-CE2 3.64Å; F258-Y262 HydrophobicContact CE1-CE2 3.64Å; F258-Y262 HydrophobicContact CE2-CE2 4.44Å; F258-Y262 AromaticContact CZ-CE2 3.7Å; F258-Y262 HydrophobicContact CZ-CE2 3.7Å; F259-Y262 PolarHBondContact O-N 3.33Å; F259-Y262 VanDerWaalsContact O-N 3.16Å; A260-Y262 PolarHBondContact O-N 3.17Å; Y262-G264 PolarHBondContact O-N 3.26Å; Y262-F265 VanDerWaalsContact O-CB 3.27Å; Y262-F265 WeakPolarHBondContact O-CB 3.39Å; Y262-F265 PolarHBondContact O-N 3.36Å
263K64.4Low70.2Confident125 Ų12579.2 Ų79.254%0.54338%0.377SS..THydrogen-bonded Turntrans-60.2121.9172.5-79177.1-174.9171.70109.3E256 F259 A260E256-K263 IonicContact OE2-NZ 3.38Å; E256-K263 PolarHBondContact OE2-NZ 3.25Å; F259-K263 PolarHBondContact O-N 3.29Å; A260-K263 HydrophobicContact CB-CD 4.36Å; A260-K263 WeakPolarHBondContact O-CB 3.32Å; A260-K263 PolarHBondContact O-N 2.98Å
264G61.9Low70Confident31 Ų3174.8 Ų74.832%0.3237%0.365SS..THydrogen-bonded Turntrans94.7-0.5-177.200000114.9Y262 P267 N268Y262-G264 PolarHBondContact O-N 3.26Å; G264-P267 WeakPolarHBondContact O-CD 3.24Å; G264-N268 WeakPolarHBondContact O-CB 3.26Å; G264-N268 PolarHBondContact O-N 3.18Å
265F67.5Low70Confident47 Ų4769 Ų6921%0.20634%0.339CS..Hα-helixtrans-56.4-50.5172.1173.3-119.7000111.8A215 L216 N219 Y262 N268 W269A215-F265 HydrophobicContact CB-CE2 4.15Å; L216-F265 HydrophobicContact CD2-CE2 4.47Å; L216-F265 HydrophobicContact CD2-CZ 4.26Å; N219-F265 WeakPolarHBondContact ND2-CD2 3.38Å; N219-F265 WeakPolarHBondContact ND2-CE2 3.27Å; Y262-F265 VanDerWaalsContact O-CB 3.27Å; Y262-F265 WeakPolarHBondContact O-CB 3.39Å; Y262-F265 PolarHBondContact O-N 3.36Å; F265-N268 CarbonylContact O-C 3.58Å; F265-N268 WeakPolarHBondContact O-CA 3.38Å; F265-N268 WeakPolarHBondContact O-CB 3.41Å; F265-N268 PolarHBondContact O-N 3.11Å; F265-W269 HydrophobicContact CE2-CB 4.25Å; F265-W269 HydrophobicContact CZ-CB 4.35Å; F265-W269 HydrophobicContact CZ-CG 4.32Å; F265-W269 WeakPolarHBondContact O-CB 3.43Å; F265-W269 PolarHBondContact O-N 3.19Å
266W66.1Low70.1Confident161 Ų16166.7 Ų66.761%0.6133%0.326SS*.Hα-helixtrans-61-47.6-176.5-168-100.7000113.1N268 W269 L270W266-N268 VanDerWaalsContact C-N 3.31Å; W266-N268 PolarHBondContact O-N 3.25Å; W266-W269 HydrophobicContact CE3-CE3 4.13Å; W266-W269 HydrophobicContact CH2-CE3 4.22Å; W266-W269 AromaticContact CH2-CZ3 3.83Å; W266-W269 HydrophobicContact CH2-CZ3 3.83Å; W266-W269 AromaticContact CZ3-CE3 3.88Å; W266-W269 HydrophobicContact CZ3-CE3 3.88Å; W266-W269 AromaticContact CZ3-CZ3 3.83Å; W266-W269 HydrophobicContact CZ3-CZ3 3.83Å; W266-W269 PolarHBondContact O-N 2.94Å; W266-L270 WeakPolarHBondContact O-CB 3.38Å; W266-L270 PolarHBondContact O-N 3.49Å
267P62.7Low70.3Confident46 Ų4668 Ų6830%0.29934%0.335SS..Hα-helixtrans-60.1-34.7169.9-2532.8000114.5G264 R271G264-P267 WeakPolarHBondContact O-CD 3.24Å; P267-R271 WeakPolarHBondContact O-CB 3.46Å; P267-R271 PolarHBondContact O-N 3.41Å
268N65.7Low70.5Confident27 Ų2769 Ų6914%0.14433%0.333CS..Hα-helixtrans-70.3-40.3178.3-162.328.9000112.1K30 G264 F265 W266 R271K30-N268 PolarHBondContact NZ-OD1 3.12Å; G264-N268 WeakPolarHBondContact O-CB 3.26Å; G264-N268 PolarHBondContact O-N 3.18Å; F265-N268 CarbonylContact O-C 3.58Å; F265-N268 WeakPolarHBondContact O-CA 3.38Å; F265-N268 WeakPolarHBondContact O-CB 3.41Å; F265-N268 PolarHBondContact O-N 3.11Å; W266-N268 VanDerWaalsContact C-N 3.31Å; W266-N268 PolarHBondContact O-N 3.25Å; N268-R271 WeakPolarHBondContact O-CB 3.16Å
269W67.8Low70.7Confident90 Ų9065.9 Ų65.934%0.34132%0.319SS..Hα-helixtrans-72.4-43178-170.168.8000111.7L212 F265 W266 R271 L272L212-W269 HydrophobicContact CD2-CZ2 4.41Å; L212-W269 VanDerWaalsContact CD2-NE1 3.35Å; F265-W269 HydrophobicContact CE2-CB 4.25Å; F265-W269 HydrophobicContact CZ-CB 4.35Å; F265-W269 HydrophobicContact CZ-CG 4.32Å; F265-W269 WeakPolarHBondContact O-CB 3.43Å; F265-W269 PolarHBondContact O-N 3.19Å; W266-W269 HydrophobicContact CE3-CE3 4.13Å; W266-W269 HydrophobicContact CH2-CE3 4.22Å; W266-W269 AromaticContact CH2-CZ3 3.83Å; W266-W269 HydrophobicContact CH2-CZ3 3.83Å; W266-W269 AromaticContact CZ3-CE3 3.88Å; W266-W269 HydrophobicContact CZ3-CE3 3.88Å; W266-W269 AromaticContact CZ3-CZ3 3.83Å; W266-W269 HydrophobicContact CZ3-CZ3 3.83Å; W266-W269 PolarHBondContact O-N 2.94Å; W269-R271 PolarHBondContact O-N 3.31Å; W269-L272 WeakPolarHBondContact O-CB 3.44Å; W269-L272 PolarHBondContact O-N 3.41Å
270L65.6Low70.7Confident84 Ų8462 Ų6244%0.4430%0.302SS..Hα-helixtrans-62-27.8176.8-163.7147000112.1M52 W266 P274M52-L270 HydrophobicContact CE-CD2 4.37Å; W266-L270 WeakPolarHBondContact O-CB 3.38Å; W266-L270 PolarHBondContact O-N 3.49Å; L270-P274 WeakPolarHBondContact O-CD 3.33Å
271R66.7Low71.4Confident58 Ų5865.6 Ų65.622%0.21932%0.324CS..Hα-helixtrans-69.7-32.1172.4-174.1-167.78490.54.6113.5D27 P267 N268 W269 G273 P274 W275D27-R271 WeakPolarHBondContact OD1-CD 3.45Å; D27-R271 IonicContact OD1-CZ 3.14Å; D27-R271 IonicContact OD1-NE 3.87Å; D27-R271 IonicContact OD1-NH1 3.69Å; D27-R271 PolarHBondContact OD1-NH1 2.98Å; D27-R271 IonicContact OD2-NH1 3.9Å; D27-R271 PolarHBondContact OD2-NH1 3.39Å; P267-R271 WeakPolarHBondContact O-CB 3.46Å; P267-R271 PolarHBondContact O-N 3.41Å; N268-R271 WeakPolarHBondContact O-CB 3.16Å; W269-R271 PolarHBondContact O-N 3.31Å; R271-G273 PolarHBondContact O-N 2.87Å; R271-P274 WeakPolarHBondContact O-CD 3.47Å; R271-W275 PolarHBondContact O-N 3.44Å
272L67.4Low71.8Confident56 Ų5666.5 Ų66.529%0.29333%0.33SS..Hα-helixtrans-65.8-30.8179.1-70167.2000111.6W269 N276W269-L272 WeakPolarHBondContact O-CB 3.44Å; W269-L272 PolarHBondContact O-N 3.41Å; L272-N276 VanDerWaalsContact O-CB 3.26Å; L272-N276 WeakPolarHBondContact O-CB 3.44Å; L272-N276 VanDerWaalsContact O-CG 3.27Å; L272-N276 PolarHBondContact O-N 2.88Å; L272-N276 PolarHBondContact O-ND2 3.5Å
273G72.5Confident72Confident31 Ų3166 Ų6632%0.3233%0.328SS..Hα-helixtrans-57.6-64.7177.700000113R271 W275 N276 I277R271-G273 PolarHBondContact O-N 2.87Å; G273-W275 VanDerWaalsContact C-N 3.28Å; G273-W275 PolarHBondContact O-N 3.43Å; G273-N276 PolarHBondContact O-N 3.36Å; G273-I277 VanDerWaalsContact O-CG1 3.26Å; G273-I277 WeakPolarHBondContact O-CG1 3.19Å; G273-I277 PolarHBondContact O-N 3Å
274P73.9Confident72.6Confident43 Ų4365.4 Ų65.428%0.27933%0.327SS..Hα-helixtrans-56.7-39.6179-26.734.4000113.3T23 I26 L270 R271 I277 I278T23-P274 HydrophobicContact CG2-CB 4.32Å; I26-P274 HydrophobicContact CD1-CB 4.41Å; L270-P274 WeakPolarHBondContact O-CD 3.33Å; R271-P274 WeakPolarHBondContact O-CD 3.47Å; P274-I277 PolarHBondContact O-N 2.95Å; P274-I278 VanDerWaalsContact O-CG1 3.28Å; P274-I278 WeakPolarHBondContact O-CG1 3.28Å; P274-I278 PolarHBondContact O-N 2.69Å
275W78.2Confident73.6Confident63 Ų6368.8 Ų68.824%0.23933%0.334CS..Hα-helixtrans-63.6-48.5178.3-174.783.6000111.7T23 R271 G273 I277 I278 F279T23-W275 HydrophobicContact CG2-CB 3.9Å; T23-W275 HydrophobicContact CG2-CG 4.47Å; R271-W275 PolarHBondContact O-N 3.44Å; G273-W275 VanDerWaalsContact C-N 3.28Å; G273-W275 PolarHBondContact O-N 3.43Å; W275-I277 PolarHBondContact O-N 2.9Å; W275-I278 PolarHBondContact O-N 2.81Å; W275-F279 HydrophobicContact CH2-CD2 4.38Å; W275-F279 HydrophobicContact CH2-CG 4.42Å; W275-F279 HydrophobicContact CZ2-CD2 4.49Å; W275-F279 VanDerWaalsContact O-CB 3.26Å; W275-F279 WeakPolarHBondContact O-CB 3.38Å; W275-F279 PolarHBondContact O-N 2.7Å
276N75.9Confident74.1Confident63 Ų6368.1 Ų68.134%0.33733%0.333SS..Hα-helixtrans-62.3-42.8177.3-78.4-24.9000111.6L272 G273 F279 F280L272-N276 VanDerWaalsContact O-CB 3.26Å; L272-N276 WeakPolarHBondContact O-CB 3.44Å; L272-N276 VanDerWaalsContact O-CG 3.27Å; L272-N276 PolarHBondContact O-N 2.88Å; L272-N276 PolarHBondContact O-ND2 3.5Å; G273-N276 PolarHBondContact O-N 3.36Å; N276-F279 PolarHBondContact O-N 3.42Å; N276-F280 HydrophobicContact CB-CD2 4.31Å; N276-F280 HydrophobicContact CB-CE2 4.44Å; N276-F280 WeakPolarHBondContact O-CB 3.46Å; N276-F280 WeakPolarHBondContact O-CD2 3.26Å; N276-F280 PolarHBondContact O-N 2.96Å
277I76.7Confident74.5Confident112 Ų11267 Ų6757%0.57433%0.332SS*.Hα-helixtrans-60.1-51.2179.5-67.7164.1000110.3G273 P274 W275 F279 F280 V281G273-I277 VanDerWaalsContact O-CG1 3.26Å; G273-I277 WeakPolarHBondContact O-CG1 3.19Å; G273-I277 PolarHBondContact O-N 3Å; P274-I277 PolarHBondContact O-N 2.95Å; W275-I277 PolarHBondContact O-N 2.9Å; I277-F279 VanDerWaalsContact C-N 3.32Å; I277-F279 PolarHBondContact O-N 3.44Å; I277-F280 PolarHBondContact O-N 3.3Å; I277-V281 HydrophobicContact CG2-CG2 4.33Å; I277-V281 WeakPolarHBondContact O-CB 3.3Å; I277-V281 WeakPolarHBondContact O-CG2 3.16Å; I277-V281 PolarHBondContact O-N 3.42Å
278I80.9Confident75.1Confident52 Ų5271.9 Ų71.927%0.26735%0.349SS..Hα-helixtrans-64.9-40.3-179.2-60.6164000110.4A19 T23 P274 W275 T282A19-I278 HydrophobicContact CB-CB 4.21Å; A19-I278 HydrophobicContact CB-CG2 4.09Å; T23-I278 HydrophobicContact CG2-CD1 3.93Å; P274-I278 VanDerWaalsContact O-CG1 3.28Å; P274-I278 WeakPolarHBondContact O-CG1 3.28Å; P274-I278 PolarHBondContact O-N 2.69Å; W275-I278 PolarHBondContact O-N 2.81Å; I278-T282 VanDerWaalsContact O-CB 3.25Å; I278-T282 WeakPolarHBondContact O-CB 3.32Å; I278-T282 PolarHBondContact O-N 3.01Å; I278-T282 PolarHBondContact O-OG1 2.65Å
279F79.8Confident75.4Confident37 Ų3775.7 Ų75.716%0.16237%0.369CS..Hα-helixtrans-59.6-54.7176.8175.6-94.7000111.8A15 S16 A19 W275 N276 I277 T282 Y283A15-F279 HydrophobicContact CB-CD2 3.84Å; A15-F279 HydrophobicContact CB-CE2 3.85Å; S16-F279 WeakPolarHBondContact OG-CE2 3.36Å; A19-F279 HydrophobicContact CB-CB 3.95Å; W275-F279 HydrophobicContact CH2-CD2 4.38Å; W275-F279 HydrophobicContact CH2-CG 4.42Å; W275-F279 HydrophobicContact CZ2-CD2 4.49Å; W275-F279 VanDerWaalsContact O-CB 3.26Å; W275-F279 WeakPolarHBondContact O-CB 3.38Å; W275-F279 PolarHBondContact O-N 2.7Å; N276-F279 PolarHBondContact O-N 3.42Å; I277-F279 VanDerWaalsContact C-N 3.32Å; I277-F279 PolarHBondContact O-N 3.44Å; F279-T282 PolarHBondContact O-N 2.83Å; F279-Y283 WeakPolarHBondContact O-CB 3.39Å; F279-Y283 PolarHBondContact O-N 2.92Å
280F77.4Confident74.7Confident92 Ų9278.7 Ų78.740%0.40439%0.391SS..Hα-helixtrans-66.4-42.5-176.8-81-66.3000112.2N276 I277 T282 Y283 E284N276-F280 HydrophobicContact CB-CD2 4.31Å; N276-F280 HydrophobicContact CB-CE2 4.44Å; N276-F280 WeakPolarHBondContact O-CB 3.46Å; N276-F280 WeakPolarHBondContact O-CD2 3.26Å; N276-F280 PolarHBondContact O-N 2.96Å; I277-F280 PolarHBondContact O-N 3.3Å; F280-T282 VanDerWaalsContact C-N 3.34Å; F280-T282 PolarHBondContact O-N 3Å; F280-Y283 PolarHBondContact O-N 2.84Å; F280-E284 WeakPolarHBondContact O-CB 3.49Å; F280-E284 WeakPolarHBondContact O-CG 3.46Å; F280-E284 PolarHBondContact O-N 3.31Å
281V82.2Confident74.1Confident77 Ų7783 Ų8347%0.46741%0.414SS..Hα-helixtrans-60.1-47.1175.7171.20000110.3I277 Y283 E284 Q285I277-V281 HydrophobicContact CG2-CG2 4.33Å; I277-V281 WeakPolarHBondContact O-CB 3.3Å; I277-V281 WeakPolarHBondContact O-CG2 3.16Å; I277-V281 PolarHBondContact O-N 3.42Å; V281-Y283 PolarHBondContact O-N 3.3Å; V281-E284 PolarHBondContact O-N 3.5Å; V281-Q285 WeakPolarHBondContact O-CB 3.4Å; V281-Q285 WeakPolarHBondContact O-CG 3.37Å; V281-Q285 PolarHBondContact O-N 3.33Å
282T79.8Confident74.4Confident28 Ų2884.3 Ų84.317%0.17242%0.424CS..Hα-helixtrans-65.6-41.7179.4-51.40000111.3A15 T18 I278 F279 F280 Q285 L286A15-T282 HydrophobicContact CB-CG2 4.15Å; T18-T282 HydrophobicContact CG2-CG2 4.09Å; I278-T282 VanDerWaalsContact O-CB 3.25Å; I278-T282 WeakPolarHBondContact O-CB 3.32Å; I278-T282 PolarHBondContact O-N 3.01Å; I278-T282 PolarHBondContact O-OG1 2.65Å; F279-T282 PolarHBondContact O-N 2.83Å; F280-T282 VanDerWaalsContact C-N 3.34Å; F280-T282 PolarHBondContact O-N 3Å; T282-Q285 PolarHBondContact O-N 2.9Å; T282-L286 HydrophobicContact CG2-CD1 3.93Å; T282-L286 HydrophobicContact CG2-CG 4.34Å; T282-L286 WeakPolarHBondContact O-CB 3.31Å; T282-L286 VanDerWaalsContact O-CG 3.24Å; T282-L286 WeakPolarHBondContact O-CG 3.37Å; T282-L286 PolarHBondContact O-N 2.92Å
283Y78.4Confident74.8Confident64 Ų6485.7 Ų85.725%0.25143%0.43SS..Hα-helixtrans-63.4-43.3178.6-176.2-100.4000112.2A15 F279 F280 V281 L286 K287A15-Y283 HydrophobicContact CB-CD2 4.44Å; F279-Y283 WeakPolarHBondContact O-CB 3.39Å; F279-Y283 PolarHBondContact O-N 2.92Å; F280-Y283 PolarHBondContact O-N 2.84Å; V281-Y283 PolarHBondContact O-N 3.3Å; Y283-L286 PolarHBondContact O-N 3.45Å; Y283-K287 WeakPolarHBondContact O-CB 3.28Å; Y283-K287 PolarHBondContact O-N 3.03Å
284E78.3Confident74.9Confident111 Ų11188.8 Ų88.852%0.51944%0.437SS..Hα-helixtrans-66.1-40.2176.3-76.8-172.7177.500112.4F280 V281 K287 K288F280-E284 WeakPolarHBondContact O-CB 3.49Å; F280-E284 WeakPolarHBondContact O-CG 3.46Å; F280-E284 PolarHBondContact O-N 3.31Å; V281-E284 PolarHBondContact O-N 3.5Å; E284-K287 PolarHBondContact O-N 3.25Å; E284-K288 WeakPolarHBondContact O-CG 3.36Å; E284-K288 PolarHBondContact O-N 3.32Å
285Q81.6Confident75Confident103 Ų10391.5 Ų91.548%0.48145%0.446SS..Hα-helixtrans-65.7-41.5176-67.1-65.6-14.300111.5V281 T282 K287 K288 L289V281-Q285 WeakPolarHBondContact O-CB 3.4Å; V281-Q285 WeakPolarHBondContact O-CG 3.37Å; V281-Q285 PolarHBondContact O-N 3.33Å; T282-Q285 PolarHBondContact O-N 2.9Å; Q285-K287 VanDerWaalsContact C-N 3.3Å; Q285-K287 PolarHBondContact O-N 3.36Å; Q285-K288 PolarHBondContact O-N 3.11Å; Q285-L289 PolarHBondContact O-N 3.37Å; Q285-L289 VanDerWaalsContact O-N 3.11Å
286L78.4Confident74.8Confident33 Ų3393.3 Ų93.317%0.17346%0.459CS..Hα-helixtrans-65.7-32.5174.8-73.2172000112.7Y11 L14 A15 T282 Y283 L289Y11-L286 HydrophobicContact CD1-CB 3.94Å; Y11-L286 HydrophobicContact CG-CB 4.14Å; L14-L286 HydrophobicContact CB-CD1 3.68Å; A15-L286 HydrophobicContact CB-CD1 4.4Å; T282-L286 HydrophobicContact CG2-CD1 3.93Å; T282-L286 HydrophobicContact CG2-CG 4.34Å; T282-L286 WeakPolarHBondContact O-CB 3.31Å; T282-L286 VanDerWaalsContact O-CG 3.24Å; T282-L286 WeakPolarHBondContact O-CG 3.37Å; T282-L286 PolarHBondContact O-N 2.92Å; Y283-L286 PolarHBondContact O-N 3.45Å; L286-L289 PolarHBondContact O-N 3.49Å
287K74.7Confident74.7Confident138 Ų13895.3 Ų95.360%0.647%0.467SS*.Hα-helixtrans-74.3-27.6175.5-167.1179.9178.2-172.50112.8Y283 E284 Q285Y283-K287 WeakPolarHBondContact O-CB 3.28Å; Y283-K287 PolarHBondContact O-N 3.03Å; E284-K287 PolarHBondContact O-N 3.25Å; Q285-K287 VanDerWaalsContact C-N 3.3Å; Q285-K287 PolarHBondContact O-N 3.36Å
288K74.8Confident74.6Confident147 Ų14794.1 Ų94.164%0.63946%0.459SS*.Hα-helixtrans-76.3-26.8173.7-73.7174.3-174.8177.10112.6E284 Q285 D290E284-K288 WeakPolarHBondContact O-CG 3.36Å; E284-K288 PolarHBondContact O-N 3.32Å; Q285-K288 PolarHBondContact O-N 3.11Å; K288-D290 VanDerWaalsContact C-N 3.27Å; K288-D290 PolarHBondContact O-N 3.23Å
289L73.3Confident74.1Confident108 Ų10897.3 Ų97.357%0.56547%0.474SS*.SBendtrans-76.581.1168.4-73.7157000108Q285 L286 L291Q285-L289 PolarHBondContact O-N 3.37Å; Q285-L289 VanDerWaalsContact O-N 3.11Å; L286-L289 PolarHBondContact O-N 3.49Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L291 PolarHBondContact O-N 2.88Å
290D53.4Low73.6Confident152 Ų152102.3 Ų102.381%0.81350%0.5SS*.  trans-59.490.9171.2-105.3-31.1000109.6K288K288-D290 VanDerWaalsContact C-N 3.27Å; K288-D290 PolarHBondContact O-N 3.23Å
291L51.2Low73.3Confident175 Ų175103.3 Ų103.392%0.91651%0.509SS*.  trans-102.70161.8-89.4163.1000107.6K7 Y11 L289K7-L291 WeakPolarHBondContact CD-O 3.35Å; K7-L291 WeakPolarHBondContact CE-O 3.11Å; K7-L291 PolarHBondContact NZ-O 3.46Å; K7-L291 PolarHBondContact NZ-OXT 2.78Å; Y11-L291 PolarHBondContact OH-O 2.87Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L291 PolarHBondContact O-N 2.88Å

Retrieved 291 of 291 residues in 97.7 ms (Link to these results)