A0A5K4EWS2_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A5K4EWS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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
1M68.3Low72.8Confident205 Ų205110.6 Ų110.6100%1.0158%0.575SS**  0-56.30-64.4-167.579.100112.3L3 L4 L5M1-L3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.09Å
2I78.8Confident73Confident133 Ų133110.6 Ų110.668%0.68257%0.574SS**Hα-helixtrans-55.5-45.6-177.8-62.3170.3000113.2L4 L5 I6I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.24Å; I2-L5 PolarHBondContact O-N 3.48Å; I2-I6 HydrophobicContact CG2-CD1 3.81Å; I2-I6 HydrophobicContact CG2-CG1 4.43Å; I2-I6 WeakPolarHBondContact O-CG1 3.43Å; I2-I6 PolarHBondContact O-N 2.9Å
3L68Low72.8Confident143 Ų143106.9 Ų106.975%0.74956%0.555SS**Hα-helixtrans-63.8-36.5179.6-66.9175.2000113.5M1 W7M1-L3 PolarHBondContact O-N 3.48Å; L3-W7 WeakPolarHBondContact O-CB 3.22Å; L3-W7 PolarHBondContact O-N 3.2Å
4L71.2Confident72.5Confident122 Ų122102.6 Ų102.664%0.63954%0.539SS*.Hα-helixtrans-68.2-40.2176-72173.7000110.9M1 I2 W7 C8M1-L4 PolarHBondContact O-N 3.34Å; M1-L4 VanDerWaalsContact O-N 3.16Å; I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.24Å; L4-W7 PolarHBondContact O-N 3.1Å; L4-C8 WeakPolarHBondContact O-CB 3.49Å; L4-C8 PolarHBondContact O-N 2.89Å; L4-C8 PolarHBondContact O-SG 3.48Å
5L76.8Confident72.2Confident115 Ų115101.2 Ų101.260%0.60253%0.53SS*.Hα-helixtrans-63.2-45176.2-175.5135.6000111.3M1 I2 W7 C8 C9M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.09Å; I2-L5 PolarHBondContact O-N 3.48Å; L5-W7 VanDerWaalsContact C-N 3.3Å; L5-W7 PolarHBondContact O-N 3.47Å; L5-C8 PolarHBondContact O-N 3.32Å; L5-C9 WeakPolarHBondContact O-CB 3.44Å; L5-C9 PolarHBondContact O-N 3.15Å; L5-C9 PolarHBondContact O-SG 3.14Å
6I74.1Confident71.8Confident96 Ų9697.3 Ų97.349%0.49251%0.513SS..Hα-helixtrans-59.1-43.8175-67166.6000110.8I2 C9 A10I2-I6 HydrophobicContact CG2-CD1 3.81Å; I2-I6 HydrophobicContact CG2-CG1 4.43Å; I2-I6 WeakPolarHBondContact O-CG1 3.43Å; I2-I6 PolarHBondContact O-N 2.9Å; I6-C9 PolarHBondContact O-N 3.29Å; I6-A10 WeakPolarHBondContact O-CB 3.46Å; I6-A10 PolarHBondContact O-N 3.3Å
7W72.9Confident71.2Confident157 Ų15794.4 Ų94.460%0.59550%0.502SS*.Hα-helixtrans-66-43.9179.3-169.585.1000112.4L3 L4 L5 A10 M11L3-W7 WeakPolarHBondContact O-CB 3.22Å; L3-W7 PolarHBondContact O-N 3.2Å; L4-W7 PolarHBondContact O-N 3.1Å; L5-W7 VanDerWaalsContact C-N 3.3Å; L5-W7 PolarHBondContact O-N 3.47Å; W7-A10 PolarHBondContact O-N 3.07Å; W7-M11 HydrophobicContact CD2-CG 4.26Å; W7-M11 HydrophobicContact CE3-CG 4.19Å; W7-M11 HydrophobicContact CH2-CE 3.9Å; W7-M11 HydrophobicContact CH2-CG 4.15Å; W7-M11 HydrophobicContact CZ2-CE 3.28Å; W7-M11 HydrophobicContact CZ2-CG 4.21Å; W7-M11 HydrophobicContact CZ3-CG 4.13Å; W7-M11 WeakPolarHBondContact O-CG 3.36Å; W7-M11 PolarHBondContact O-N 3.27Å
8C72.9Confident70.8Confident62 Ų6296.7 Ų96.742%0.41951%0.514SS..Hα-helixtrans-61.8-44.6174.6-69.50000111.6L4 L5 A10 M11 I12L4-C8 WeakPolarHBondContact O-CB 3.49Å; L4-C8 PolarHBondContact O-N 2.89Å; L4-C8 PolarHBondContact O-SG 3.48Å; L5-C8 PolarHBondContact O-N 3.32Å; C8-A10 PolarHBondContact O-N 3.4Å; C8-M11 PolarHBondContact O-N 2.94Å; C8-I12 WeakPolarHBondContact O-CB 3.44Å; C8-I12 WeakPolarHBondContact O-CD1 3.47Å; C8-I12 WeakPolarHBondContact O-CG1 3.42Å; C8-I12 PolarHBondContact O-N 2.99Å
9C74.8Confident70.4Confident58 Ų5896.3 Ų96.339%0.39251%0.511SS..Hα-helixtrans-60.9-43.4175.7-69.60000111.8L5 I6 M11 I12 I13L5-C9 WeakPolarHBondContact O-CB 3.44Å; L5-C9 PolarHBondContact O-N 3.15Å; L5-C9 PolarHBondContact O-SG 3.14Å; I6-C9 PolarHBondContact O-N 3.29Å; C9-M11 VanDerWaalsContact C-N 3.33Å; C9-M11 PolarHBondContact O-N 2.76Å; C9-I12 PolarHBondContact O-N 3.49Å; C9-I13 WeakPolarHBondContact O-CD1 3.4Å; C9-I13 VanDerWaalsContact O-CG1 3.24Å; C9-I13 WeakPolarHBondContact O-CG1 3.42Å; C9-I13 PolarHBondContact O-N 3.42Å
10A70.7Confident69.9Low37 Ų3791.5 Ų91.531%0.30649%0.486SS..Hα-helixtrans-62.8-38.9177.300000112.5I6 W7 C8 S14I6-A10 WeakPolarHBondContact O-CB 3.46Å; I6-A10 PolarHBondContact O-N 3.3Å; W7-A10 PolarHBondContact O-N 3.07Å; C8-A10 PolarHBondContact O-N 3.4Å; A10-S14 PolarHBondContact O-N 3.4Å; A10-S14 PolarHBondContact O-OG 3.47Å
11M72.1Confident69.5Low89 Ų8990.3 Ų90.344%0.43848%0.484SS..Hα-helixtrans-65.7-47.3173.4-73.2-61.3-177.700111.1W7 C8 C9 I13 S14 I15W7-M11 HydrophobicContact CD2-CG 4.26Å; W7-M11 HydrophobicContact CE3-CG 4.19Å; W7-M11 HydrophobicContact CH2-CE 3.9Å; W7-M11 HydrophobicContact CH2-CG 4.15Å; W7-M11 HydrophobicContact CZ2-CE 3.28Å; W7-M11 HydrophobicContact CZ2-CG 4.21Å; W7-M11 HydrophobicContact CZ3-CG 4.13Å; W7-M11 WeakPolarHBondContact O-CG 3.36Å; W7-M11 PolarHBondContact O-N 3.27Å; C8-M11 PolarHBondContact O-N 2.94Å; C9-M11 VanDerWaalsContact C-N 3.33Å; C9-M11 PolarHBondContact O-N 2.76Å; M11-I13 VanDerWaalsContact C-N 3.27Å; M11-I13 PolarHBondContact O-N 3.12Å; M11-S14 CarbonylContact O-C 3.52Å; M11-S14 WeakPolarHBondContact O-CA 3.49Å; M11-S14 PolarHBondContact O-N 3.21Å; M11-I15 VanDerWaalsContact O-CG1 3.31Å; M11-I15 WeakPolarHBondContact O-CG1 3.24Å; M11-I15 PolarHBondContact O-N 3.4Å
12I75.6Confident69.2Low110 Ų11084 Ų8456%0.56445%0.452SS*.Hα-helixtrans-56.9-41.1178.6-69.4162.9000111.7C8 C9 S14 I15 P16C8-I12 WeakPolarHBondContact O-CB 3.44Å; C8-I12 WeakPolarHBondContact O-CD1 3.47Å; C8-I12 WeakPolarHBondContact O-CG1 3.42Å; C8-I12 PolarHBondContact O-N 2.99Å; C9-I12 PolarHBondContact O-N 3.49Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.25Å; I12-I15 PolarHBondContact O-N 3.43Å; I12-P16 WeakPolarHBondContact O-CD 3.33Å
13I70.1Confident68.5Low63 Ų6383.6 Ų83.632%0.32345%0.45SS..Hα-helixtrans-65.2-32.3177.2-66.8162.3000111.6C9 M11 P16C9-I13 WeakPolarHBondContact O-CD1 3.4Å; C9-I13 VanDerWaalsContact O-CG1 3.24Å; C9-I13 WeakPolarHBondContact O-CG1 3.42Å; C9-I13 PolarHBondContact O-N 3.42Å; M11-I13 VanDerWaalsContact C-N 3.27Å; M11-I13 PolarHBondContact O-N 3.12Å; I13-P16 WeakPolarHBondContact O-CD 3.44Å
14S69Low68.3Low47 Ų4779.5 Ų79.533%0.32943%0.428SS..Hα-helixtrans-88.9-13.8-178.5-51.30000113.7A10 M11 I12 S17A10-S14 PolarHBondContact O-N 3.4Å; A10-S14 PolarHBondContact O-OG 3.47Å; M11-S14 CarbonylContact O-C 3.52Å; M11-S14 WeakPolarHBondContact O-CA 3.49Å; M11-S14 PolarHBondContact O-N 3.21Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.25Å; S14-S17 PolarHBondContact O-OG 2.9Å
15I67.3Low68.3Low81 Ų8178.2 Ų78.242%0.41543%0.425SS..Hα-helixtrans-60.5-47.4-178.5-77.9167.8000111.8M11 I12 S17 L18 I19M11-I15 VanDerWaalsContact O-CG1 3.31Å; M11-I15 WeakPolarHBondContact O-CG1 3.24Å; M11-I15 PolarHBondContact O-N 3.4Å; I12-I15 PolarHBondContact O-N 3.43Å; I15-S17 VanDerWaalsContact C-N 3.27Å; I15-S17 PolarHBondContact O-N 2.89Å; I15-L18 WeakPolarHBondContact O-CB 3.47Å; I15-L18 PolarHBondContact O-N 3Å; I15-I19 HydrophobicContact CG2-CD1 3.69Å; I15-I19 HydrophobicContact CG2-CG1 4.1Å; I15-I19 WeakPolarHBondContact O-CG1 3.45Å; I15-I19 PolarHBondContact O-N 3.14Å
16P65.9Low67.7Low38 Ų3875 Ų7525%0.24741%0.408CS..Hα-helixtrans-64-31.5-174-16.126.5000113I12 I13 L18 I19 V20 Y91I12-P16 WeakPolarHBondContact O-CD 3.33Å; I13-P16 WeakPolarHBondContact O-CD 3.44Å; P16-L18 VanDerWaalsContact C-N 3.32Å; P16-L18 PolarHBondContact O-N 3.49Å; P16-I19 PolarHBondContact O-N 3.4Å; P16-V20 WeakPolarHBondContact O-CB 3.32Å; P16-V20 WeakPolarHBondContact O-CG2 3.44Å; P16-V20 PolarHBondContact O-N 3.32Å; P16-Y91 HydrophobicContact CB-CE2 4.25Å; P16-Y91 VanDerWaalsContact CB-OH 3.29Å; P16-Y91 WeakPolarHBondContact CB-OH 3.42Å; P16-Y91 HydrophobicContact CG-CE2 4.24Å; P16-Y91 WeakPolarHBondContact CG-OH 3.46Å
17S62.6Low67.6Low48 Ų4880 Ų8034%0.33643%0.427SS..Hα-helixtrans-66.4-33.2175.1640000113.1S14 I15 I19 C21S14-S17 PolarHBondContact O-OG 2.9Å; I15-S17 VanDerWaalsContact C-N 3.27Å; I15-S17 PolarHBondContact O-N 2.89Å; S17-I19 VanDerWaalsContact C-N 3.33Å; S17-C21 WeakPolarHBondContact O-CB 3.21Å; S17-C21 PolarHBondContact O-N 3.37Å
18L62.9Low67.5Low137 Ų13779 Ų7972%0.71743%0.433SS*.Hα-helixtrans-67.2-36173.4-69.6174.8000112.3I15 P16I15-L18 WeakPolarHBondContact O-CB 3.47Å; I15-L18 PolarHBondContact O-N 3Å; P16-L18 VanDerWaalsContact C-N 3.32Å; P16-L18 PolarHBondContact O-N 3.49Å
19I63Low67.2Low89 Ų8978.6 Ų78.646%0.45644%0.439SS..Hα-helixtrans-76.3-40.7-179.5-43.3167.3000108.4I15 P16 S17 C21 F41I15-I19 HydrophobicContact CG2-CD1 3.69Å; I15-I19 HydrophobicContact CG2-CG1 4.1Å; I15-I19 WeakPolarHBondContact O-CG1 3.45Å; I15-I19 PolarHBondContact O-N 3.14Å; P16-I19 PolarHBondContact O-N 3.4Å; S17-I19 VanDerWaalsContact C-N 3.33Å; I19-C21 PolarHBondContact O-N 3.1Å; I19-F41 HydrophobicContact CB-CE1 3.48Å; I19-F41 VanDerWaalsContact CB-CE1 3.48Å; I19-F41 HydrophobicContact CB-CE2 3.82Å; I19-F41 HydrophobicContact CB-CZ 3.02Å; I19-F41 HydrophobicContact CD1-CE1 4.15Å; I19-F41 HydrophobicContact CG1-CE1 4.45Å; I19-F41 HydrophobicContact CG1-CZ 4.36Å; I19-F41 HydrophobicContact CG2-CD1 4.09Å; I19-F41 HydrophobicContact CG2-CD2 4.08Å; I19-F41 HydrophobicContact CG2-CE1 3.26Å; I19-F41 HydrophobicContact CG2-CE2 3.29Å; I19-F41 HydrophobicContact CG2-CG 4.48Å; I19-F41 HydrophobicContact CG2-CZ 2.9Å; I19-F41 WeakPolarHBondContact O-CE2 3.32Å; I19-F41 WeakPolarHBondContact O-CZ 3.38Å
20V61.1Low66Low0 Ų081.3 Ų81.30%045%0.449CS..Hα-helixtrans-76.4-26-169.2168.30000112.6P16 Q22 E35 V36 W37 F41P16-V20 WeakPolarHBondContact O-CB 3.32Å; P16-V20 WeakPolarHBondContact O-CG2 3.44Å; P16-V20 PolarHBondContact O-N 3.32Å; V20-Q22 PolarHBondContact O-N 2.97Å; V20-Q22 VanDerWaalsContact O-N 3.11Å; V20-E35 HydrophobicContact CG1-CB 3.69Å; V20-E35 HydrophobicContact CG1-CG 4.18Å; V20-V36 PolarHBondContact O-N 2.99Å; V20-W37 HydrophobicContact CG1-CD2 4.06Å; V20-W37 HydrophobicContact CG1-CG 4.23Å; V20-W37 HydrophobicContact CG1-CZ2 4.15Å; V20-W37 HydrophobicContact CG2-CD2 4.11Å; V20-W37 HydrophobicContact CG2-CE3 3.97Å; V20-W37 HydrophobicContact CG2-CH2 3.83Å; V20-W37 HydrophobicContact CG2-CZ2 4Å; V20-W37 HydrophobicContact CG2-CZ3 3.84Å; V20-F41 HydrophobicContact CB-CE2 4.49Å; V20-F41 HydrophobicContact CB-CZ 4.13Å; V20-F41 HydrophobicContact CG2-CE1 4.07Å; V20-F41 HydrophobicContact CG2-CE2 4.1Å; V20-F41 HydrophobicContact CG2-CZ 3.45Å; V20-F41 VanDerWaalsContact CG2-CZ 3.45Å
21C62.1Low65.8Low66 Ų6684.4 Ų84.445%0.44646%0.464SS..EExtended strand (participates in β ladder)trans-70.9104.5175.9-165.20000110.4S17 I19S17-C21 WeakPolarHBondContact O-CB 3.21Å; S17-C21 PolarHBondContact O-N 3.37Å; I19-C21 PolarHBondContact O-N 3.1Å
22Q61.9Low64.9Low74 Ų7483 Ų8335%0.34646%0.457SS..EExtended strand (participates in β ladder)trans-112.6146.1175.1-64.1-176.814.300110.6V20 C33 Q34V20-Q22 PolarHBondContact O-N 2.97Å; V20-Q22 VanDerWaalsContact O-N 3.11Å; Q22-C33 WeakPolarHBondContact O-CA 3.45Å; Q22-Q34 PolarHBondContact N-O 3.32Å; Q22-Q34 PolarHBondContact O-N 3.3Å; Q22-Q34 VanDerWaalsContact O-N 3.11Å
23I63.1Low64.3Low123 Ų12382 Ų8263%0.63146%0.459SS*.EExtended strand (participates in β ladder)trans-85.8110.7170.7-60.6172.4000106.9T31I23-T31 HydrophobicContact CG2-CG2 4.13Å
24I64.5Low63.8Low57 Ų5784 Ų8429%0.29247%0.467SS..EExtended strand (participates in β ladder)trans-99.1130.8175.6-50.9177.4000108.1T31 H32 Q34 V36I24-T31 WeakPolarHBondContact O-CA 3.33Å; I24-H32 PolarHBondContact N-O 3.12Å; I24-H32 PolarHBondContact O-N 2.95Å; I24-H32 PolarHBondContact O-ND1 3.37Å; I24-Q34 HydrophobicContact CD1-CB 4Å; I24-V36 HydrophobicContact CD1-CG2 3.47Å; I24-V36 VanDerWaalsContact CD1-CG2 3.47Å; I24-V36 HydrophobicContact CG1-CG2 4.2Å
25V70Confident63.4Low95 Ų9585.3 Ų85.358%0.57647%0.467SS*.EExtended strand (participates in β ladder)trans-90.4112.9171-173.20000107.1T31V25-T31 HydrophobicContact CG2-CG2 4.08Å
26D65.1Low63Low47 Ų4782.9 Ų82.925%0.25146%0.456SS..  trans-65.5162.1173.6-154.6-10.5000110D28 G29 L30 R175D26-D28 PolarHBondContact O-N 3.46Å; D26-G29 PolarHBondContact O-N 3.3Å; D26-L30 HydrophobicContact CB-CB 4.45Å; D26-L30 WeakPolarHBondContact CB-O 3.4Å; D26-L30 PolarHBondContact N-O 3.21Å; D26-R175 IonicContact OD2-NH1 3.61Å
27K72.6Confident62.6Low203 Ų20384 Ų8488%0.88346%0.456SS*.THydrogen-bonded Turntrans-58.1-22-178-68180-178.8172.40113.2G29K27-G29 VanDerWaalsContact C-N 3.31Å
28D70.3Confident62Low134 Ų13484.2 Ų84.272%0.71746%0.457SS*.THydrogen-bonded Turntrans-87.45.6178.4-58-34.5000113.5D26 L30D26-D28 PolarHBondContact O-N 3.46Å; D28-L30 VanDerWaalsContact C-N 3.26Å; D28-L30 HydrophobicContact CB-CD1 4.44Å; D28-L30 PolarHBondContact O-N 3.31Å
29G65.8Low61.3Low54 Ų5481.6 Ų81.656%0.55744%0.441SS*.SBendtrans78.94.9-177.400000114.4D26 K27D26-G29 PolarHBondContact O-N 3.3Å; K27-G29 VanDerWaalsContact C-N 3.31Å
30L51Low60.6Low115 Ų11581.4 Ų81.460%0.60244%0.444SS*.  trans-80.6120.2176.7-70167.6000110.5D26 D28D26-L30 HydrophobicContact CB-CB 4.45Å; D26-L30 WeakPolarHBondContact CB-O 3.4Å; D26-L30 PolarHBondContact N-O 3.21Å; D28-L30 VanDerWaalsContact C-N 3.26Å; D28-L30 HydrophobicContact CB-CD1 4.44Å; D28-L30 PolarHBondContact O-N 3.31Å
31T64.9Low59.9Low102 Ų10283.8 Ų83.863%0.62645%0.454SS*.EExtended strand (participates in β ladder)trans-81.3123.7174.851.40000110.5I23 I24 V25I23-T31 HydrophobicContact CG2-CG2 4.13Å; I24-T31 WeakPolarHBondContact O-CA 3.33Å; V25-T31 HydrophobicContact CG2-CG2 4.08Å
32H54.4Low58.9Low61 Ų6188.6 Ų88.628%0.28247%0.472SS..EExtended strand (participates in β ladder)trans-125.1145.7169.561.4-77.8000110.3I24I24-H32 PolarHBondContact N-O 3.12Å; I24-H32 PolarHBondContact O-N 2.95Å; I24-H32 PolarHBondContact O-ND1 3.37Å
33C62.4Low57.7Low89 Ų8989.7 Ų89.760%0.60148%0.48SS*.EExtended strand (participates in β ladder)trans-90.2122.8171.2-61.40000108.1Q22Q22-C33 WeakPolarHBondContact O-CA 3.45Å
34Q59.1Low56.6Low105 Ų10588.7 Ų88.749%0.49148%0.48SS..EExtended strand (participates in β ladder)trans-131145.2174.6-176.2171.3-2100109.5Q22 I24 V36Q22-Q34 PolarHBondContact N-O 3.32Å; Q22-Q34 PolarHBondContact O-N 3.3Å; Q22-Q34 VanDerWaalsContact O-N 3.11Å; I24-Q34 HydrophobicContact CD1-CB 4Å; Q34-V36 PolarHBondContact O-N 3.22Å
35E61.5Low55.4Low74 Ų7491.8 Ų91.835%0.34650%0.502SS..EExtended strand (participates in β ladder)trans-73.1107.4169.2-70.2-177.3-177.500108.2V20V20-E35 HydrophobicContact CG1-CB 3.69Å; V20-E35 HydrophobicContact CG1-CG 4.18Å
36V58.9Low53.4Low29 Ų2993.6 Ų93.618%0.17651%0.514CS..  trans-105.9103-179.4-179.40000108.7V20 I24 Q34 S38V20-V36 PolarHBondContact O-N 2.99Å; I24-V36 HydrophobicContact CD1-CG2 3.47Å; I24-V36 VanDerWaalsContact CD1-CG2 3.47Å; I24-V36 HydrophobicContact CG1-CG2 4.2Å; Q34-V36 PolarHBondContact O-N 3.22Å; V36-S38 PolarHBondContact O-N 3.29Å
37W57.3Low52Low63 Ų6395.1 Ų95.124%0.23952%0.521CS..  trans-85.134.4173.5-66.295.2000112.3V20 Q84 E88 Y91V20-W37 HydrophobicContact CG1-CD2 4.06Å; V20-W37 HydrophobicContact CG1-CG 4.23Å; V20-W37 HydrophobicContact CG1-CZ2 4.15Å; V20-W37 HydrophobicContact CG2-CD2 4.11Å; V20-W37 HydrophobicContact CG2-CE3 3.97Å; V20-W37 HydrophobicContact CG2-CH2 3.83Å; V20-W37 HydrophobicContact CG2-CZ2 4Å; V20-W37 HydrophobicContact CG2-CZ3 3.84Å; W37-Q84 PolarHBondContact O-NE2 3.38Å; W37-E88 HydrophobicContact CB-CG 3.68Å; W37-E88 VanDerWaalsContact CB-OE1 3.22Å; W37-E88 WeakPolarHBondContact CB-OE1 3.29Å; W37-E88 HydrophobicContact CD2-CG 3.98Å; W37-E88 HydrophobicContact CG-CB 4.47Å; W37-E88 HydrophobicContact CG-CG 3.4Å; W37-Y91 AromaticContact CH2-CD1 3.15Å; W37-Y91 HydrophobicContact CH2-CD1 3.15Å; W37-Y91 HydrophobicContact CH2-CD2 4.15Å; W37-Y91 AromaticContact CH2-CE1 3.25Å; W37-Y91 HydrophobicContact CH2-CE1 3.25Å; W37-Y91 HydrophobicContact CH2-CE2 4.28Å; W37-Y91 AromaticContact CH2-CG 3.62Å; W37-Y91 HydrophobicContact CH2-CG 3.62Å; W37-Y91 AromaticContact CH2-CZ 3.88Å; W37-Y91 AromaticContact CZ2-CD1 3.17Å; W37-Y91 HydrophobicContact CZ2-CD1 3.17Å; W37-Y91 AromaticContact CZ2-CE1 3.37Å; W37-Y91 HydrophobicContact CZ2-CE1 3.37Å; W37-Y91 HydrophobicContact CZ2-CG 4.01Å; W37-Y91 HydrophobicContact CZ3-CD1 4.32Å; W37-Y91 HydrophobicContact CZ3-CG 4.46Å
38S49.7Very low50Low51 Ų5190.9 Ų90.936%0.35751%0.512SS..  trans-77.5152.2-176.2-171.50000112.1V36 T40 F41V36-S38 PolarHBondContact O-N 3.29Å; S38-T40 PolarHBondContact O-N 2.72Å; S38-F41 PolarHBondContact O-N 3.4Å
39E49.3Very low48.1Very low83 Ų8388.9 Ų88.939%0.38850%0.501SS..G310 helixtrans-52.3-15.2-178.6-66.9-167.2167.400115.2F41 N80E39-F41 PolarHBondContact O-N 3.17Å; E39-N80 PolarHBondContact OE1-ND2 3.2Å
40T48.4Very low46.5Very low84 Ų8491.8 Ų91.852%0.51550%0.503SS..G310 helixtrans-55.7-22.9175.1-5.90000113.2S38 T44S38-T40 PolarHBondContact O-N 2.72Å; T40-T44 PolarHBondContact O-OG1 3.36Å; T40-T44 VanDerWaalsContact O-OG1 3.13Å
41F44.6Very low45.6Very low50 Ų5090.8 Ų90.822%0.21951%0.506CS..G310 helixtrans-81.7-30.4-169.4-142.4-106.3000116.2I19 V20 S38 E39 N43 T44I19-F41 HydrophobicContact CB-CE1 3.48Å; I19-F41 VanDerWaalsContact CB-CE1 3.48Å; I19-F41 HydrophobicContact CB-CE2 3.82Å; I19-F41 HydrophobicContact CB-CZ 3.02Å; I19-F41 HydrophobicContact CD1-CE1 4.15Å; I19-F41 HydrophobicContact CG1-CE1 4.45Å; I19-F41 HydrophobicContact CG1-CZ 4.36Å; I19-F41 HydrophobicContact CG2-CD1 4.09Å; I19-F41 HydrophobicContact CG2-CD2 4.08Å; I19-F41 HydrophobicContact CG2-CE1 3.26Å; I19-F41 HydrophobicContact CG2-CE2 3.29Å; I19-F41 HydrophobicContact CG2-CG 4.48Å; I19-F41 HydrophobicContact CG2-CZ 2.9Å; I19-F41 WeakPolarHBondContact O-CE2 3.32Å; I19-F41 WeakPolarHBondContact O-CZ 3.38Å; V20-F41 HydrophobicContact CB-CE2 4.49Å; V20-F41 HydrophobicContact CB-CZ 4.13Å; V20-F41 HydrophobicContact CG2-CE1 4.07Å; V20-F41 HydrophobicContact CG2-CE2 4.1Å; V20-F41 HydrophobicContact CG2-CZ 3.45Å; V20-F41 VanDerWaalsContact CG2-CZ 3.45Å; S38-F41 PolarHBondContact O-N 3.4Å; E39-F41 PolarHBondContact O-N 3.17Å; F41-N43 VanDerWaalsContact C-N 3.27Å; F41-T44 PolarHBondContact O-OG1 3.15Å
42M41.8Very low44.1Very low168 Ų16894.1 Ų94.183%0.82851%0.512SS*.THydrogen-bonded Turntrans-82.7-6.4174.3-74.7-79.1-140.100112.3
43N37.3Very low43.1Very low96 Ų9694 Ų9451%0.51352%0.518SS..THydrogen-bonded Turntrans-87.8-11171.8-79-21.4000113.6F41 I47F41-N43 VanDerWaalsContact C-N 3.27Å; N43-I47 HydrophobicContact CB-CD1 4.36Å; N43-I47 WeakPolarHBondContact O-CB 3.42Å; N43-I47 PolarHBondContact O-N 3.02Å
44T40.5Very low41.6Very low102 Ų10295.4 Ų95.463%0.62652%0.519SS*.SBendtrans-101.75.8-17017.40000116.5T40 F41T40-T44 PolarHBondContact O-OG1 3.36Å; T40-T44 VanDerWaalsContact O-OG1 3.13Å; F41-T44 PolarHBondContact O-OG1 3.15Å
45T37.6Very low40.5Very low122 Ų12297.8 Ų97.875%0.74853%0.528SS*.SBendtrans-102.2-2.5170.836.40000115.3
46T29.6Very low39.3Very low134 Ų13497.7 Ų97.782%0.82254%0.536SS*.SBendtrans-162.450.516343.50000112.5
47I34.1Very low38.3Very low79 Ų79101.7 Ų101.741%0.40555%0.549SS..  trans-140.179.9161.6-49177.7000107.9N43 D49N43-I47 HydrophobicContact CB-CD1 4.36Å; N43-I47 WeakPolarHBondContact O-CB 3.42Å; N43-I47 PolarHBondContact O-N 3.02Å; I47-D49 HydrophobicContact CG2-CB 4.31Å; I47-D49 PolarHBondContact O-N 2.99Å
48V31.2Very low37Very low114 Ų114105.9 Ų105.969%0.69158%0.575SS**  trans-48.8122.9130174.60000103.1L50V48-L50 HydrophobicContact CB-CD1 3.88Å; V48-L50 HydrophobicContact CB-CG 4.34Å; V48-L50 HydrophobicContact CG1-CB 4.15Å; V48-L50 HydrophobicContact CG1-CD1 3.51Å; V48-L50 HydrophobicContact CG1-CG 3.61Å; V48-L50 PolarHBondContact O-N 3.43Å
49D30.6Very low36.6Very low92 Ų92107 Ų10749%0.49258%0.579SS.*SBendtrans-69.848.6176-130.5-8.8000110.3I47 S51 K52 S53I47-D49 HydrophobicContact CG2-CB 4.31Å; I47-D49 PolarHBondContact O-N 2.99Å; D49-S51 PolarHBondContact O-N 3.09Å; D49-S51 PolarHBondContact OD1-OG 3.11Å; D49-K52 CarbonylContact O-C 3.6Å; D49-K52 PolarHBondContact O-N 3.22Å; D49-S53 PolarHBondContact O-N 3.43Å
50L31.5Very low36.3Very low114 Ų114110.9 Ų110.960%0.59760%0.603SS**THydrogen-bonded Turntrans-59.4-10.4157.7-90.1150.4000110.8V48 K52 S53V48-L50 HydrophobicContact CB-CD1 3.88Å; V48-L50 HydrophobicContact CB-CG 4.34Å; V48-L50 HydrophobicContact CG1-CB 4.15Å; V48-L50 HydrophobicContact CG1-CD1 3.51Å; V48-L50 HydrophobicContact CG1-CG 3.61Å; V48-L50 PolarHBondContact O-N 3.43Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-S53 WeakPolarHBondContact CA-OG 3.43Å; L50-S53 WeakPolarHBondContact CD2-OG 3.5Å
51S33.4Very low36.2Very low95 Ų95110.3 Ų110.366%0.66461%0.614SS**THydrogen-bonded Turntrans-76.8-15.7168.993.50000113.6D49D49-S51 PolarHBondContact O-N 3.09Å; D49-S51 PolarHBondContact OD1-OG 3.11Å
52K33.6Very low36.1Very low172 Ų172111.5 Ų111.575%0.74863%0.628SS**THydrogen-bonded Turntrans-122-4171.2-84.8179.8179.9169.60114.6D49 L50 N54D49-K52 CarbonylContact O-C 3.6Å; D49-K52 PolarHBondContact O-N 3.22Å; L50-K52 VanDerWaalsContact C-N 3.32Å; K52-N54 PolarHBondContact O-N 3.13Å
53S33.3Very low35.8Very low58 Ų58109.2 Ų109.241%0.40662%0.619SS.*  trans-77.6104.1161.376.40000108.5D49 L50 F55D49-S53 PolarHBondContact O-N 3.43Å; L50-S53 WeakPolarHBondContact CA-OG 3.43Å; L50-S53 WeakPolarHBondContact CD2-OG 3.5Å; S53-F55 PolarHBondContact O-N 2.98Å
54N30.3Very low36.2Very low119 Ų119108.3 Ų108.364%0.63662%0.616SS**  trans-57.996.3156.4-74.4-43.2000106.6K52 S56 Q65K52-N54 PolarHBondContact O-N 3.13Å; N54-S56 PolarHBondContact O-N 3.46Å; N54-S56 PolarHBondContact O-OG 3.42Å; N54-Q65 PolarHBondContact OD1-NE2 3.07Å
55F36.7Very low36Very low155 Ų155111.1 Ų111.168%0.6862%0.623SS**  trans-76.173.6165-168.6-108000107.2S53 Y57S53-F55 PolarHBondContact O-N 2.98Å; F55-Y57 AromaticContact CD1-CD1 3.25Å; F55-Y57 HydrophobicContact CD1-CD1 3.25Å; F55-Y57 AromaticContact CD1-CE1 3.68Å; F55-Y57 HydrophobicContact CD1-CE1 3.68Å; F55-Y57 HydrophobicContact CD1-CG 4.33Å; F55-Y57 AromaticContact CE1-CD1 3.25Å; F55-Y57 HydrophobicContact CE1-CD1 3.25Å; F55-Y57 AromaticContact CE1-CE1 3.91Å; F55-Y57 HydrophobicContact CE1-CE1 3.91Å; F55-Y57 AromaticContact CE1-CG 3.96Å; F55-Y57 HydrophobicContact CE1-CG 3.96Å; F55-Y57 HydrophobicContact CG-CD1 4.29Å; F55-Y57 HydrophobicContact CZ-CD1 4.3Å; F55-Y57 WeakPolarHBondContact O-CD1 2.87Å; F55-Y57 PolarHBondContact O-N 3.26Å
56S36Very low36.1Very low72 Ų72114.2 Ų114.250%0.50363%0.626SS.*  trans-77.1100.816642.60000107.7N54N54-S56 PolarHBondContact O-N 3.46Å; N54-S56 PolarHBondContact O-OG 3.42Å
57Y38Very low36.5Very low113 Ų113113.4 Ų113.444%0.44363%0.626SS.*  trans-92124.7164.143.5-75.5000107.7F55 T59F55-Y57 AromaticContact CD1-CD1 3.25Å; F55-Y57 HydrophobicContact CD1-CD1 3.25Å; F55-Y57 AromaticContact CD1-CE1 3.68Å; F55-Y57 HydrophobicContact CD1-CE1 3.68Å; F55-Y57 HydrophobicContact CD1-CG 4.33Å; F55-Y57 AromaticContact CE1-CD1 3.25Å; F55-Y57 HydrophobicContact CE1-CD1 3.25Å; F55-Y57 AromaticContact CE1-CE1 3.91Å; F55-Y57 HydrophobicContact CE1-CE1 3.91Å; F55-Y57 AromaticContact CE1-CG 3.96Å; F55-Y57 HydrophobicContact CE1-CG 3.96Å; F55-Y57 HydrophobicContact CG-CD1 4.29Å; F55-Y57 HydrophobicContact CZ-CD1 4.3Å; F55-Y57 WeakPolarHBondContact O-CD1 2.87Å; F55-Y57 PolarHBondContact O-N 3.26Å; Y57-T59 HydrophobicContact CD2-CG2 3.71Å; Y57-T59 HydrophobicContact CE2-CG2 4.39Å; Y57-T59 PolarHBondContact O-N 3.27Å
58L30.4Very low36.8Very low150 Ų150117 Ų11779%0.78564%0.644SS**  trans-81.599.8-178.6-147.8129.7000107.7
59T40.7Very low37Very low74 Ų74117 Ų11745%0.45465%0.649SS.*BIsolated β-bridgetrans-111.7118.9169.379.10000107.9Y57 G61 S62Y57-T59 HydrophobicContact CD2-CG2 3.71Å; Y57-T59 HydrophobicContact CE2-CG2 4.39Å; Y57-T59 PolarHBondContact O-N 3.27Å; T59-G61 VanDerWaalsContact C-N 3.34Å; T59-G61 PolarHBondContact O-N 3.38Å; T59-G61 VanDerWaalsContact O-N 3.14Å; T59-S62 PolarHBondContact O-N 3.03Å
60N43.7Very low37.1Very low165 Ų165119.9 Ų119.988%0.88266%0.664SS**THydrogen-bonded Turntrans46.749.5169.7-61.5-16000115S62N60-S62 VanDerWaalsContact C-N 3.3Å; N60-S62 PolarHBondContact O-N 3.28Å
61G45.5Very low37.5Very low72 Ų72124.3 Ų124.374%0.74268%0.679SS**THydrogen-bonded Turntrans7114.8169.400000116.3T59T59-G61 VanDerWaalsContact C-N 3.34Å; T59-G61 PolarHBondContact O-N 3.38Å; T59-G61 VanDerWaalsContact O-N 3.14Å
62S43Very low37.8Very low75 Ų75125.4 Ų125.452%0.52468%0.677SS.*BIsolated β-bridgetrans-133.9126.1177.6-54.10000111.4T59 N60T59-S62 PolarHBondContact O-N 3.03Å; N60-S62 VanDerWaalsContact C-N 3.3Å; N60-S62 PolarHBondContact O-N 3.28Å
63L35.6Very low38.4Very low120 Ų120122 Ų12263%0.62867%0.673SS**  trans-83.4121.7171.2-72.2-177.3000109.7
64V44.5Very low38.9Very low77 Ų77127.2 Ų127.247%0.46769%0.688SS.*  trans-107.6117.9173.2-178.50000108.5F66V64-F66 HydrophobicContact CG1-CD2 4Å; V64-F66 HydrophobicContact CG1-CE2 4.04Å
65Q37Very low39.6Very low162 Ų162127.3 Ų127.376%0.75769%0.693SS**  trans-98.7131.2173.6-84.7174.5-50.900110.1N54N54-Q65 PolarHBondContact OD1-NE2 3.07Å
66F40.1Very low39.8Very low187 Ų187127.2 Ų127.282%0.8269%0.692SS**  trans-121.7126.2167.9-97.3-88.3000109.1V64V64-F66 HydrophobicContact CG1-CD2 4Å; V64-F66 HydrophobicContact CG1-CE2 4.04Å
67S36.7Very low40.3Very low117 Ų117130.6 Ų130.682%0.81870%0.7SS**  trans-116.9121.4174.642.70000109.5
68I42Very low40.7Very low153 Ų153134.4 Ų134.479%0.78572%0.722SS**  trans-101115.4173.7-62.4175000107.8
69S34.1Very low41.4Very low114 Ų114134.6 Ų134.680%0.79772%0.717SS**  trans-90.5102.2-179.9580000111
70L34Very low41.8Very low154 Ų154132.4 Ų132.481%0.80670%0.702SS**  trans-134.7125.6164.4-77167.6000108
71F39.3Very low42.4Very low206 Ų206131.6 Ų131.690%0.90470%0.698SS**  trans84.1110.9179.5-111.2-106.5000117P73F71-P73 WeakPolarHBondContact O-CD 3.33Å
72N38.7Very low43Very low119 Ų119132.4 Ų132.464%0.63669%0.692SS**  trans-95.6107.2178.9-166.5-5.5000108.9K74N72-K74 PolarHBondContact O-N 3Å
73P46.7Very low43.5Very low100 Ų100131.6 Ų131.665%0.64968%0.682SS**G310 helixtrans-71.5-11.9-172.126.2-33.6000114.4F71 V75F71-P73 WeakPolarHBondContact O-CD 3.33Å; P73-V75 VanDerWaalsContact C-N 3.32Å; P73-V75 PolarHBondContact O-N 3.32Å
74K43.8Very low44.5Very low167 Ų167128.2 Ų128.273%0.72666%0.663SS**G310 helixtrans-76.1-6.9-171.6-72.8-172.5173.2-174.10116.4N72N72-K74 PolarHBondContact O-N 3Å
75V46.2Very low45.4Very low122 Ų122129.8 Ų129.874%0.73967%0.668SS**G310 helixtrans-93.1-12.4-179.2178.70000112.2P73P73-V75 VanDerWaalsContact C-N 3.32Å; P73-V75 PolarHBondContact O-N 3.32Å
76F39.4Very low47Very low153 Ų153124.7 Ų124.767%0.67165%0.65SS**THydrogen-bonded Turntrans-97.5-19.8-173.2-147.1-96.9000114.1E78F76-E78 PolarHBondContact O-N 2.97Å
77E47.6Very low48.6Very low143 Ų143121.1 Ų121.167%0.66864%0.639SS**G310 helixtrans-74.7-21.3-174.5-140.2170.6-178.600113
78E46.9Very low50.2Low192 Ų192118.3 Ų118.390%0.89761%0.613SS**G310 helixtrans-88.1-2.4-177.5-110.3175.617700114.5F76F76-E78 PolarHBondContact O-N 2.97Å
79F43.5Very low51.7Low155 Ų155114.6 Ų114.668%0.6859%0.594SS**G310 helixtrans-110.75.6-176-155.3-105.7000114.2N83F79-N83 WeakPolarHBondContact CD1-ND2 3.4Å; F79-N83 WeakPolarHBondContact CE1-ND2 3.31Å; F79-N83 PolarHBondContact O-ND2 3.41Å
80N50.3Low53.8Low28 Ų28113.5 Ų113.515%0.1558%0.579CS.*  trans-103.3-22.6-154.7-130.73.8000118E39 S82 Q84E39-N80 PolarHBondContact OE1-ND2 3.2Å; N80-S82 PolarHBondContact O-N 3.43Å; N80-Q84 VanDerWaalsContact O-CB 3.25Å; N80-Q84 WeakPolarHBondContact O-CB 3.43Å; N80-Q84 PolarHBondContact O-N 3.44Å; N80-Q84 VanDerWaalsContact O-N 3.1Å
81D56.6Low55.8Low147 Ų147108.5 Ų108.579%0.78655%0.549SS*.Hα-helixtrans-73-33-170.6-82-21.6000115.5
82S56Low57.5Low90 Ų9099.2 Ų99.263%0.62951%0.509SS*.Hα-helixtrans-88.5-24.6177.656.40000113.4N80 S86N80-S82 PolarHBondContact O-N 3.43Å; S82-S86 PolarHBondContact O-OG 3.16Å; S82-S86 VanDerWaalsContact O-OG 3.05Å
83N54.8Low59.5Low58 Ų58100.2 Ų100.231%0.3150%0.504SS..Hα-helixtrans-86.6-29.3-176.1-70.1-38.7000112.6F79 S86 L87F79-N83 WeakPolarHBondContact CD1-ND2 3.4Å; F79-N83 WeakPolarHBondContact CE1-ND2 3.31Å; F79-N83 PolarHBondContact O-ND2 3.41Å; N83-S86 WeakPolarHBondContact O-CB 3.21Å; N83-S86 PolarHBondContact O-N 2.97Å; N83-L87 WeakPolarHBondContact O-CG 3.42Å; N83-L87 PolarHBondContact O-N 3Å
84Q57.3Low61.2Low48 Ų4899.1 Ų99.122%0.22449%0.492CS..Hα-helixtrans-66.1-50.6-177.3-166.4169.85.800112.4W37 N80 S86 L87 E88W37-Q84 PolarHBondContact O-NE2 3.38Å; N80-Q84 VanDerWaalsContact O-CB 3.25Å; N80-Q84 WeakPolarHBondContact O-CB 3.43Å; N80-Q84 PolarHBondContact O-N 3.44Å; N80-Q84 VanDerWaalsContact O-N 3.1Å; Q84-S86 PolarHBondContact O-N 3.34Å; Q84-L87 PolarHBondContact O-N 2.92Å; Q84-L87 VanDerWaalsContact O-N 3.09Å; Q84-E88 WeakPolarHBondContact O-CG 3.13Å; Q84-E88 PolarHBondContact O-N 2.94Å; Q84-E88 VanDerWaalsContact O-N 3.13Å
85I63Low62.9Low110 Ų11092.9 Ų92.956%0.56447%0.467SS*.Hα-helixtrans-58.5-36.6175.8-62.8167.1000111.2L89I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 VanDerWaalsContact O-CG 3.32Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 3.49Å
86S71Confident64.5Low56 Ų5687.8 Ų87.839%0.39244%0.435SS..Hα-helixtrans-66.5-41.2178.3-60.30000111.9S82 N83 Q84 I90S82-S86 PolarHBondContact O-OG 3.16Å; S82-S86 VanDerWaalsContact O-OG 3.05Å; N83-S86 WeakPolarHBondContact O-CB 3.21Å; N83-S86 PolarHBondContact O-N 2.97Å; Q84-S86 PolarHBondContact O-N 3.34Å; S86-I90 WeakPolarHBondContact O-CB 3.43Å; S86-I90 WeakPolarHBondContact O-CD1 3.44Å; S86-I90 WeakPolarHBondContact O-CG1 3.38Å; S86-I90 PolarHBondContact O-N 2.96Å
87L73.7Confident66.6Low112 Ų11284.2 Ų84.259%0.58642%0.422SS*.Hα-helixtrans-68.5-39.9179.2-72.3173.4000112.6N83 Q84 I90 Y91N83-L87 WeakPolarHBondContact O-CG 3.42Å; N83-L87 PolarHBondContact O-N 3Å; Q84-L87 PolarHBondContact O-N 2.92Å; Q84-L87 VanDerWaalsContact O-N 3.09Å; L87-I90 PolarHBondContact O-N 3.01Å; L87-Y91 WeakPolarHBondContact O-CB 3.32Å; L87-Y91 PolarHBondContact O-N 3.39Å
88E70Confident68.2Low58 Ų5882.6 Ų82.627%0.27141%0.413SS..Hα-helixtrans-60.4-48.4175.8-63.2-176.5-15900111.6W37 Q84 I90 Y91 N92W37-E88 HydrophobicContact CB-CG 3.68Å; W37-E88 VanDerWaalsContact CB-OE1 3.22Å; W37-E88 WeakPolarHBondContact CB-OE1 3.29Å; W37-E88 HydrophobicContact CD2-CG 3.98Å; W37-E88 HydrophobicContact CG-CB 4.47Å; W37-E88 HydrophobicContact CG-CG 3.4Å; Q84-E88 WeakPolarHBondContact O-CG 3.13Å; Q84-E88 PolarHBondContact O-N 2.94Å; Q84-E88 VanDerWaalsContact O-N 3.13Å; E88-I90 PolarHBondContact O-N 3.32Å; E88-Y91 PolarHBondContact O-N 2.96Å; E88-N92 WeakPolarHBondContact O-CB 3.27Å; E88-N92 PolarHBondContact O-N 3.26Å; E88-N92 PolarHBondContact O-ND2 3.41Å
89L73.7Confident69.8Low74 Ų7475.8 Ų75.839%0.38738%0.381SS..Hα-helixtrans-60.5-47.3177.4-71.9169.2000110.7I85 N92 W93 M167I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 VanDerWaalsContact O-CG 3.32Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 3.49Å; L89-N92 PolarHBondContact O-N 3.34Å; L89-W93 WeakPolarHBondContact O-CB 3.34Å; L89-W93 PolarHBondContact O-N 2.88Å; L89-M167 HydrophobicContact CD2-SD 3.85Å
90I78.1Confident71.7Confident92 Ų9270 Ų7047%0.47236%0.355SS..Hα-helixtrans-59.8-49.3177.7-70.2163.7000110.5S86 L87 E88 N92 W93 L94S86-I90 WeakPolarHBondContact O-CB 3.43Å; S86-I90 WeakPolarHBondContact O-CD1 3.44Å; S86-I90 WeakPolarHBondContact O-CG1 3.38Å; S86-I90 PolarHBondContact O-N 2.96Å; L87-I90 PolarHBondContact O-N 3.01Å; E88-I90 PolarHBondContact O-N 3.32Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 PolarHBondContact O-N 3.43Å; I90-W93 PolarHBondContact O-N 3.15Å; I90-L94 HydrophobicContact CG2-CD1 3.77Å; I90-L94 HydrophobicContact CG2-CG 4.26Å; I90-L94 WeakPolarHBondContact O-CB 3.37Å; I90-L94 WeakPolarHBondContact O-CG 3.47Å; I90-L94 PolarHBondContact O-N 3.36Å
91Y75.9Confident73.4Confident49 Ų4972.4 Ų72.419%0.19237%0.367CS..Hα-helixtrans-57.8-46.2-179.8174.1-101.2000111.7P16 W37 L87 E88 L94 I95P16-Y91 HydrophobicContact CB-CE2 4.25Å; P16-Y91 VanDerWaalsContact CB-OH 3.29Å; P16-Y91 WeakPolarHBondContact CB-OH 3.42Å; P16-Y91 HydrophobicContact CG-CE2 4.24Å; P16-Y91 WeakPolarHBondContact CG-OH 3.46Å; W37-Y91 AromaticContact CH2-CD1 3.15Å; W37-Y91 HydrophobicContact CH2-CD1 3.15Å; W37-Y91 HydrophobicContact CH2-CD2 4.15Å; W37-Y91 AromaticContact CH2-CE1 3.25Å; W37-Y91 HydrophobicContact CH2-CE1 3.25Å; W37-Y91 HydrophobicContact CH2-CE2 4.28Å; W37-Y91 AromaticContact CH2-CG 3.62Å; W37-Y91 HydrophobicContact CH2-CG 3.62Å; W37-Y91 AromaticContact CH2-CZ 3.88Å; W37-Y91 AromaticContact CZ2-CD1 3.17Å; W37-Y91 HydrophobicContact CZ2-CD1 3.17Å; W37-Y91 AromaticContact CZ2-CE1 3.37Å; W37-Y91 HydrophobicContact CZ2-CE1 3.37Å; W37-Y91 HydrophobicContact CZ2-CG 4.01Å; W37-Y91 HydrophobicContact CZ3-CD1 4.32Å; W37-Y91 HydrophobicContact CZ3-CG 4.46Å; L87-Y91 WeakPolarHBondContact O-CB 3.32Å; L87-Y91 PolarHBondContact O-N 3.39Å; E88-Y91 PolarHBondContact O-N 2.96Å; Y91-L94 WeakPolarHBondContact O-CB 3.38Å; Y91-L94 PolarHBondContact O-N 2.96Å; Y91-I95 HydrophobicContact CD1-CD1 3.65Å; Y91-I95 HydrophobicContact CD1-CG1 4.38Å; Y91-I95 HydrophobicContact CE1-CD1 3.02Å; Y91-I95 HydrophobicContact CE1-CG1 3.92Å; Y91-I95 HydrophobicContact CE2-CD1 4.22Å; Y91-I95 HydrophobicContact CE2-CG1 4.25Å; Y91-I95 HydrophobicContact CG-CD1 4.47Å; Y91-I95 PolarHBondContact O-N 3.11Å; Y91-I95 WeakPolarHBondContact OH-CD1 3.09Å
92N73.4Confident74.7Confident11 Ų1169.2 Ų69.26%0.05935%0.35CS..Hα-helixtrans-68.1-40-179.2-74.4-31.6000113E88 L89 I90 L94 I95 I96 Y163E88-N92 WeakPolarHBondContact O-CB 3.27Å; E88-N92 PolarHBondContact O-N 3.26Å; E88-N92 PolarHBondContact O-ND2 3.41Å; L89-N92 PolarHBondContact O-N 3.34Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 PolarHBondContact O-N 3.43Å; N92-L94 VanDerWaalsContact C-N 3.3Å; N92-L94 PolarHBondContact O-N 3.41Å; N92-I95 PolarHBondContact O-N 3.47Å; N92-I96 WeakPolarHBondContact O-CG1 3.23Å; N92-I96 PolarHBondContact O-N 3.25Å; N92-Y163 HydrophobicContact CB-CE1 4.23Å; N92-Y163 HydrophobicContact CB-CE2 4.41Å; N92-Y163 WeakPolarHBondContact CB-OH 3.46Å; N92-Y163 PolarHBondContact ND2-OH 3.42Å
93W80.7Confident76.1Confident140 Ų14066.7 Ų66.753%0.5333%0.331SS..Hα-helixtrans-61.2-39.7171.3-85.1109.8000111.9L89 I90 I96 L97 L164L89-W93 WeakPolarHBondContact O-CB 3.34Å; L89-W93 PolarHBondContact O-N 2.88Å; I90-W93 PolarHBondContact O-N 3.15Å; W93-I96 PolarHBondContact O-N 2.88Å; W93-L97 WeakPolarHBondContact O-CB 3.33Å; W93-L97 PolarHBondContact O-N 2.98Å; W93-L164 HydrophobicContact CH2-CD2 4.04Å; W93-L164 HydrophobicContact CZ2-CD2 4.44Å
94L83.2Confident77.7Confident77 Ų7766.1 Ų66.140%0.40333%0.328SS..Hα-helixtrans-63.8-43.5174.8-68.8170.8000111.4I90 Y91 N92 I96 L97 F98I90-L94 HydrophobicContact CG2-CD1 3.77Å; I90-L94 HydrophobicContact CG2-CG 4.26Å; I90-L94 WeakPolarHBondContact O-CB 3.37Å; I90-L94 WeakPolarHBondContact O-CG 3.47Å; I90-L94 PolarHBondContact O-N 3.36Å; Y91-L94 WeakPolarHBondContact O-CB 3.38Å; Y91-L94 PolarHBondContact O-N 2.96Å; N92-L94 VanDerWaalsContact C-N 3.3Å; N92-L94 PolarHBondContact O-N 3.41Å; L94-I96 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 3.18Å; L94-F98 HydrophobicContact CB-CD2 4.37Å; L94-F98 HydrophobicContact CD2-CD2 4.48Å; L94-F98 HydrophobicContact CD2-CE2 3.97Å; L94-F98 WeakPolarHBondContact O-CB 3.25Å; L94-F98 VanDerWaalsContact O-CD2 3.24Å; L94-F98 WeakPolarHBondContact O-CD2 3.47Å; L94-F98 PolarHBondContact O-N 2.94Å
95I79.5Confident79.2Confident36 Ų3670 Ų7019%0.18535%0.345CS..Hα-helixtrans-58-48.8174.3-67.5163.8000110.5Y91 N92 L97 F98 Q99Y91-I95 HydrophobicContact CD1-CD1 3.65Å; Y91-I95 HydrophobicContact CD1-CG1 4.38Å; Y91-I95 HydrophobicContact CE1-CD1 3.02Å; Y91-I95 HydrophobicContact CE1-CG1 3.92Å; Y91-I95 HydrophobicContact CE2-CD1 4.22Å; Y91-I95 HydrophobicContact CE2-CG1 4.25Å; Y91-I95 HydrophobicContact CG-CD1 4.47Å; Y91-I95 PolarHBondContact O-N 3.11Å; Y91-I95 WeakPolarHBondContact OH-CD1 3.09Å; N92-I95 PolarHBondContact O-N 3.47Å; I95-L97 VanDerWaalsContact C-N 3.27Å; I95-L97 PolarHBondContact O-N 3Å; I95-F98 PolarHBondContact O-N 2.93Å; I95-Q99 HydrophobicContact CG2-CB 4.09Å; I95-Q99 WeakPolarHBondContact O-CA 3.48Å; I95-Q99 WeakPolarHBondContact O-CB 3.17Å; I95-Q99 PolarHBondContact O-N 2.88Å
96I80.4Confident80.5Confident14 Ų1468.4 Ų68.47%0.07234%0.34CS..Hα-helixtrans-60-43.3-179.9-65.5169000110.5N92 W93 L94 Y100 I101 Y163N92-I96 WeakPolarHBondContact O-CG1 3.23Å; N92-I96 PolarHBondContact O-N 3.25Å; W93-I96 PolarHBondContact O-N 2.88Å; L94-I96 PolarHBondContact O-N 3.47Å; I96-Y100 WeakPolarHBondContact O-CB 3.11Å; I96-Y100 PolarHBondContact O-N 3.08Å; I96-Y100 VanDerWaalsContact O-N 3.15Å; I96-I101 HydrophobicContact CG2-CD1 4Å; I96-I101 HydrophobicContact CG2-CG1 4.22Å; I96-I101 PolarHBondContact O-N 3.34Å; I96-Y163 HydrophobicContact CD1-CD1 3.49Å; I96-Y163 VanDerWaalsContact CD1-CD1 3.49Å; I96-Y163 HydrophobicContact CD1-CE1 3.58Å; I96-Y163 HydrophobicContact CD1-CG 4.49Å; I96-Y163 HydrophobicContact CG1-CD1 4.47Å
97L82.9Confident81.3Confident78 Ų7868.1 Ų68.141%0.40833%0.333SS..Iπ-helixtrans-61.8-52.1179.3-174.867000111.3W93 L94 I95 I101 L102W93-L97 WeakPolarHBondContact O-CB 3.33Å; W93-L97 PolarHBondContact O-N 2.98Å; L94-L97 PolarHBondContact O-N 3.18Å; I95-L97 VanDerWaalsContact C-N 3.27Å; I95-L97 PolarHBondContact O-N 3Å; L97-I101 HydrophobicContact CD1-CB 4.17Å; L97-I101 HydrophobicContact CD1-CD1 4.31Å; L97-I101 HydrophobicContact CD1-CG2 4.14Å; L97-I101 PolarHBondContact O-N 3.42Å; L97-L102 VanDerWaalsContact O-CB 3.25Å; L97-L102 WeakPolarHBondContact O-CB 3.47Å; L97-L102 PolarHBondContact O-N 2.96Å
98F82Confident82Confident109 Ų10967.3 Ų67.348%0.47833%0.328SS..Iπ-helixtrans-79.7-35.4-173.9-77.3-73.9000113.8L94 I95 L102 P103L94-F98 HydrophobicContact CB-CD2 4.37Å; L94-F98 HydrophobicContact CD2-CD2 4.48Å; L94-F98 HydrophobicContact CD2-CE2 3.97Å; L94-F98 WeakPolarHBondContact O-CB 3.25Å; L94-F98 VanDerWaalsContact O-CD2 3.24Å; L94-F98 WeakPolarHBondContact O-CD2 3.47Å; L94-F98 PolarHBondContact O-N 2.94Å; I95-F98 PolarHBondContact O-N 2.93Å; F98-L102 HydrophobicContact CD1-CD1 3.77Å; F98-L102 HydrophobicContact CE1-CD1 3.96Å; F98-P103 VanDerWaalsContact O-CD 3.26Å; F98-P103 WeakPolarHBondContact O-CD 3.08Å
99Q79.5Confident82.9Confident49 Ų4968.4 Ų68.423%0.22934%0.335CS..Iπ-helixtrans-86.2-22.9-174.9-165.9642500113.1I95 P103 Y152I95-Q99 HydrophobicContact CG2-CB 4.09Å; I95-Q99 WeakPolarHBondContact O-CA 3.48Å; I95-Q99 WeakPolarHBondContact O-CB 3.17Å; I95-Q99 PolarHBondContact O-N 2.88Å; Q99-P103 VanDerWaalsContact O-CG 3.32Å; Q99-P103 WeakPolarHBondContact O-CG 3.35Å; Q99-Y152 PolarHBondContact O-OH 3.23Å
100Y83.2Confident83.6Confident34 Ų3468 Ų6813%0.13334%0.336CS..Iπ-helixtrans-130.3-57.8-173.8-174.2-110.5000113.8I96 P103 L104 A153 Q156 H160I96-Y100 WeakPolarHBondContact O-CB 3.11Å; I96-Y100 PolarHBondContact O-N 3.08Å; I96-Y100 VanDerWaalsContact O-N 3.15Å; Y100-P103 WeakPolarHBondContact O-CD 3.5Å; Y100-P103 WeakPolarHBondContact O-CG 3.12Å; Y100-L104 HydrophobicContact CE1-CD1 4.01Å; Y100-L104 HydrophobicContact CE2-CD1 3.93Å; Y100-L104 WeakPolarHBondContact O-CB 3.22Å; Y100-L104 PolarHBondContact O-N 3.21Å; Y100-A153 PolarHBondContact OH-O 3.07Å; Y100-Q156 HydrophobicContact CD2-CB 3.99Å; Y100-Q156 HydrophobicContact CE2-CB 3.85Å; Y100-H160 WeakPolarHBondContact CB-NE2 2.99Å; Y100-H160 AromaticContact CD1-CD2 3.69Å; Y100-H160 AromaticContact CD1-NE2 3.88Å; Y100-H160 AromaticContact CD2-CD2 3.63Å; Y100-H160 AromaticContact CD2-NE2 3.59Å; Y100-H160 AromaticContact CG-CD2 3.46Å; Y100-H160 VanDerWaalsContact CG-CD2 3.46Å; Y100-H160 AromaticContact CG-NE2 3.27Å; Y100-H160 VanDerWaalsContact CG-NE2 3.27Å
101I85.9Confident84Confident78 Ų7865 Ų6540%0.432%0.319SS..Iπ-helixtrans-66.2-48.6-173.1-60.8177.1000111.2I96 L97 L104 F105I96-I101 HydrophobicContact CG2-CD1 4Å; I96-I101 HydrophobicContact CG2-CG1 4.22Å; I96-I101 PolarHBondContact O-N 3.34Å; L97-I101 HydrophobicContact CD1-CB 4.17Å; L97-I101 HydrophobicContact CD1-CD1 4.31Å; L97-I101 HydrophobicContact CD1-CG2 4.14Å; L97-I101 PolarHBondContact O-N 3.42Å; I101-L104 PolarHBondContact O-N 3.49Å; I101-F105 VanDerWaalsContact O-CB 3.29Å; I101-F105 WeakPolarHBondContact O-CB 3.34Å; I101-F105 PolarHBondContact O-N 2.89Å
102L84.6Confident84.5Confident81 Ų8165.7 Ų65.742%0.42433%0.331SS..Hα-helixtrans-59.3-53.6179.7-171160.4000112.1L97 F98 L104 F105 V106L97-L102 VanDerWaalsContact O-CB 3.25Å; L97-L102 WeakPolarHBondContact O-CB 3.47Å; L97-L102 PolarHBondContact O-N 2.96Å; F98-L102 HydrophobicContact CD1-CD1 3.77Å; F98-L102 HydrophobicContact CE1-CD1 3.96Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.49Å; L102-F105 PolarHBondContact O-N 3.39Å; L102-V106 HydrophobicContact CD2-CG2 4.16Å; L102-V106 WeakPolarHBondContact O-CG2 2.91Å; L102-V106 PolarHBondContact O-N 3.46Å
103P85.8Confident85.2Confident36 Ų3667.9 Ų67.923%0.23435%0.35CS..Hα-helixtrans-62.2-38.2178.319.6-29.5000112.1F98 Q99 Y100 V106 I107F98-P103 VanDerWaalsContact O-CD 3.26Å; F98-P103 WeakPolarHBondContact O-CD 3.08Å; Q99-P103 VanDerWaalsContact O-CG 3.32Å; Q99-P103 WeakPolarHBondContact O-CG 3.35Å; Y100-P103 WeakPolarHBondContact O-CD 3.5Å; Y100-P103 WeakPolarHBondContact O-CG 3.12Å; P103-V106 PolarHBondContact O-N 2.85Å; P103-I107 VanDerWaalsContact O-CB 3.27Å; P103-I107 WeakPolarHBondContact O-CB 3.45Å; P103-I107 WeakPolarHBondContact O-CD1 3.49Å; P103-I107 WeakPolarHBondContact O-CG1 3.39Å; P103-I107 PolarHBondContact O-N 3.38Å
104L87.9Confident85.3Confident46 Ų4663.5 Ų63.524%0.24134%0.337CS..Hα-helixtrans-66.2-40.6178.5-163.2158.4000111.4Y100 I101 L102 I107 I108 A153Y100-L104 HydrophobicContact CE1-CD1 4.01Å; Y100-L104 HydrophobicContact CE2-CD1 3.93Å; Y100-L104 WeakPolarHBondContact O-CB 3.22Å; Y100-L104 PolarHBondContact O-N 3.21Å; I101-L104 PolarHBondContact O-N 3.49Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.49Å; L104-I107 WeakPolarHBondContact O-CB 2.88Å; L104-I107 PolarHBondContact O-N 2.86Å; L104-I108 HydrophobicContact CD2-CD1 3.33Å; L104-I108 HydrophobicContact CD2-CG1 3.96Å; L104-I108 WeakPolarHBondContact O-CG1 3.19Å; L104-I108 PolarHBondContact O-N 2.94Å; L104-A153 HydrophobicContact CD1-CB 3.99Å
105F89.2Confident85.3Confident131 Ų13163.8 Ų63.858%0.57534%0.338SS*.Hα-helixtrans-64.5-45.6176.4-172.5-108.2000112.2I101 L102 I107 I108 I109I101-F105 VanDerWaalsContact O-CB 3.29Å; I101-F105 WeakPolarHBondContact O-CB 3.34Å; I101-F105 PolarHBondContact O-N 2.89Å; L102-F105 PolarHBondContact O-N 3.39Å; F105-I107 VanDerWaalsContact C-N 3.3Å; F105-I107 PolarHBondContact O-N 3.44Å; F105-I108 PolarHBondContact O-N 3.04Å; F105-I109 HydrophobicContact CD1-CD1 3.67Å; F105-I109 HydrophobicContact CE1-CD1 3.17Å; F105-I109 HydrophobicContact CE1-CG1 4.3Å; F105-I109 HydrophobicContact CE2-CD1 4.1Å; F105-I109 HydrophobicContact CG-CD1 4.33Å; F105-I109 HydrophobicContact CZ-CD1 3.43Å; F105-I109 VanDerWaalsContact CZ-CD1 3.43Å; F105-I109 HydrophobicContact CZ-CG1 4.32Å; F105-I109 WeakPolarHBondContact O-CG1 3.4Å; F105-I109 PolarHBondContact O-N 3.29Å
106V89.2Confident85.6Confident76 Ų7665.4 Ų65.446%0.46135%0.351SS..Hα-helixtrans-59.7-43.4174.8173.40000110.6L102 P103 I109 T110L102-V106 HydrophobicContact CD2-CG2 4.16Å; L102-V106 WeakPolarHBondContact O-CG2 2.91Å; L102-V106 PolarHBondContact O-N 3.46Å; P103-V106 PolarHBondContact O-N 2.85Å; V106-I109 PolarHBondContact O-N 2.97Å; V106-T110 HydrophobicContact CG1-CG2 4.24Å; V106-T110 WeakPolarHBondContact O-CB 3.4Å; V106-T110 WeakPolarHBondContact O-CG2 3.38Å; V106-T110 PolarHBondContact O-N 2.78Å; V106-T110 PolarHBondContact O-OG1 2.94Å
107I87.7Confident85.7Confident50 Ų5070.2 Ų70.226%0.25637%0.374SS..Hα-helixtrans-57.9-50.9174.5-81.3164.7000110.9P103 L104 F105 I109 T110 Y111 A149P103-I107 VanDerWaalsContact O-CB 3.27Å; P103-I107 WeakPolarHBondContact O-CB 3.45Å; P103-I107 WeakPolarHBondContact O-CD1 3.49Å; P103-I107 WeakPolarHBondContact O-CG1 3.39Å; P103-I107 PolarHBondContact O-N 3.38Å; L104-I107 WeakPolarHBondContact O-CB 2.88Å; L104-I107 PolarHBondContact O-N 2.86Å; F105-I107 VanDerWaalsContact C-N 3.3Å; F105-I107 PolarHBondContact O-N 3.44Å; I107-I109 PolarHBondContact O-N 3.47Å; I107-T110 PolarHBondContact O-N 3.34Å; I107-T110 PolarHBondContact O-OG1 2.93Å; I107-Y111 HydrophobicContact CB-CD2 4.46Å; I107-Y111 HydrophobicContact CB-CE2 4.39Å; I107-Y111 HydrophobicContact CG2-CD2 3.71Å; I107-Y111 HydrophobicContact CG2-CE2 3.73Å; I107-Y111 WeakPolarHBondContact O-CB 3.33Å; I107-Y111 WeakPolarHBondContact O-CD2 3.35Å; I107-Y111 PolarHBondContact O-N 3.02Å; I107-A149 HydrophobicContact CD1-CB 3.93Å; I107-A149 HydrophobicContact CG1-CB 4.36Å; I107-A149 HydrophobicContact CG2-CB 3.94Å
108I88.4Confident85.4Confident95 Ų9568.9 Ų68.949%0.48737%0.366SS..Hα-helixtrans-60.5-47.9-179.7-72.6176.3000111.2L104 F105 Y111 S112L104-I108 HydrophobicContact CD2-CD1 3.33Å; L104-I108 HydrophobicContact CD2-CG1 3.96Å; L104-I108 WeakPolarHBondContact O-CG1 3.19Å; L104-I108 PolarHBondContact O-N 2.94Å; F105-I108 PolarHBondContact O-N 3.04Å; I108-Y111 PolarHBondContact O-N 3.17Å; I108-S112 VanDerWaalsContact O-CB 3.28Å; I108-S112 WeakPolarHBondContact O-CB 3.4Å; I108-S112 PolarHBondContact O-N 2.99Å; I108-S112 PolarHBondContact O-OG 3.1Å
109I89.6Confident85.3Confident81 Ų8172.9 Ų72.942%0.41538%0.379SS..Hα-helixtrans-63.5-47.9-178.9-71178.6000111.1F105 V106 I107 Y111 S112 A113F105-I109 HydrophobicContact CD1-CD1 3.67Å; F105-I109 HydrophobicContact CE1-CD1 3.17Å; F105-I109 HydrophobicContact CE1-CG1 4.3Å; F105-I109 HydrophobicContact CE2-CD1 4.1Å; F105-I109 HydrophobicContact CG-CD1 4.33Å; F105-I109 HydrophobicContact CZ-CD1 3.43Å; F105-I109 VanDerWaalsContact CZ-CD1 3.43Å; F105-I109 HydrophobicContact CZ-CG1 4.32Å; F105-I109 WeakPolarHBondContact O-CG1 3.4Å; F105-I109 PolarHBondContact O-N 3.29Å; V106-I109 PolarHBondContact O-N 2.97Å; I107-I109 PolarHBondContact O-N 3.47Å; I109-Y111 VanDerWaalsContact C-N 3.31Å; I109-Y111 PolarHBondContact O-N 3.11Å; I109-S112 PolarHBondContact O-N 3.34Å; I109-S112 PolarHBondContact O-OG 3.02Å; I109-A113 WeakPolarHBondContact O-CB 3.45Å; I109-A113 PolarHBondContact O-N 3.21Å
110T88.6Confident85.1Confident64 Ų6475.8 Ų75.839%0.39339%0.394SS..Hα-helixtrans-63.4-41.2-17851.70000110.8V106 I107 I114V106-T110 HydrophobicContact CG1-CG2 4.24Å; V106-T110 WeakPolarHBondContact O-CB 3.4Å; V106-T110 WeakPolarHBondContact O-CG2 3.38Å; V106-T110 PolarHBondContact O-N 2.78Å; V106-T110 PolarHBondContact O-OG1 2.94Å; I107-T110 PolarHBondContact O-N 3.34Å; I107-T110 PolarHBondContact O-OG1 2.93Å; T110-I114 WeakPolarHBondContact O-CD1 3.45Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 3.5Å
111Y85.4Confident84.5Confident30 Ų3077.7 Ų77.712%0.11841%0.413CS..Hα-helixtrans-74.1-36.5177.8-70.3-54.2000114I107 I108 I109 A113 I114 I115 I142 V145 I146 A149I107-Y111 HydrophobicContact CB-CD2 4.46Å; I107-Y111 HydrophobicContact CB-CE2 4.39Å; I107-Y111 HydrophobicContact CG2-CD2 3.71Å; I107-Y111 HydrophobicContact CG2-CE2 3.73Å; I107-Y111 WeakPolarHBondContact O-CB 3.33Å; I107-Y111 WeakPolarHBondContact O-CD2 3.35Å; I107-Y111 PolarHBondContact O-N 3.02Å; I108-Y111 PolarHBondContact O-N 3.17Å; I109-Y111 VanDerWaalsContact C-N 3.31Å; I109-Y111 PolarHBondContact O-N 3.11Å; Y111-A113 VanDerWaalsContact C-N 3.3Å; Y111-A113 PolarHBondContact O-N 3.38Å; Y111-I114 HydrophobicContact CD1-CD1 3.91Å; Y111-I114 HydrophobicContact CE1-CD1 4.25Å; Y111-I114 PolarHBondContact O-N 3.45Å; Y111-I115 WeakPolarHBondContact O-CB 3.44Å; Y111-I115 VanDerWaalsContact O-CG1 3.25Å; Y111-I115 WeakPolarHBondContact O-CG1 3.24Å; Y111-I115 PolarHBondContact O-N 3.47Å; Y111-I142 HydrophobicContact CD1-CG2 4.25Å; Y111-I142 HydrophobicContact CE1-CG2 4.15Å; Y111-V145 WeakPolarHBondContact OH-CB 3.43Å; Y111-V145 WeakPolarHBondContact OH-CG1 3.37Å; Y111-V145 PolarHBondContact OH-O 3.02Å; Y111-I146 HydrophobicContact CD1-CD1 3.73Å; Y111-I146 HydrophobicContact CD1-CG1 3.28Å; Y111-I146 HydrophobicContact CD2-CG1 4.02Å; Y111-I146 HydrophobicContact CE1-CB 4.41Å; Y111-I146 HydrophobicContact CE1-CD1 4.07Å; Y111-I146 HydrophobicContact CE1-CG1 3.24Å; Y111-I146 HydrophobicContact CE2-CG1 3.97Å; Y111-I146 HydrophobicContact CG-CD1 4.23Å; Y111-I146 HydrophobicContact CG-CG1 3.71Å; Y111-I146 PolarHBondContact OH-N 2.97Å; Y111-A149 HydrophobicContact CE2-CB 4.16Å
112S87Confident83.3Confident64 Ų6477.9 Ų77.945%0.44842%0.417SS..Hα-helixtrans-62.6-41.117468.10000110.8I108 I109 I115 C116I108-S112 VanDerWaalsContact O-CB 3.28Å; I108-S112 WeakPolarHBondContact O-CB 3.4Å; I108-S112 PolarHBondContact O-N 2.99Å; I108-S112 PolarHBondContact O-OG 3.1Å; I109-S112 PolarHBondContact O-N 3.34Å; I109-S112 PolarHBondContact O-OG 3.02Å; S112-I115 PolarHBondContact O-N 2.81Å; S112-C116 VanDerWaalsContact O-CB 3.28Å; S112-C116 WeakPolarHBondContact O-CB 3.09Å; S112-C116 PolarHBondContact O-N 3.21Å
113A88Confident82.1Confident56 Ų5681.2 Ų81.246%0.46343%0.434SS..Hα-helixtrans-61.7-43.4173.100000112I109 Y111 C116 Q117I109-A113 WeakPolarHBondContact O-CB 3.45Å; I109-A113 PolarHBondContact O-N 3.21Å; Y111-A113 VanDerWaalsContact C-N 3.3Å; Y111-A113 PolarHBondContact O-N 3.38Å; A113-C116 PolarHBondContact O-N 2.98Å; A113-Q117 VanDerWaalsContact O-CB 3.31Å; A113-Q117 WeakPolarHBondContact O-CB 3.46Å; A113-Q117 PolarHBondContact O-N 2.95Å
114I84.1Confident80.8Confident49 Ų4985.1 Ų85.125%0.25146%0.459SS..Hα-helixtrans-64.1-45.2177.2-70.6162.5000111.4T110 Y111 Q117 I118 I142T110-I114 WeakPolarHBondContact O-CD1 3.45Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 3.5Å; Y111-I114 HydrophobicContact CD1-CD1 3.91Å; Y111-I114 HydrophobicContact CE1-CD1 4.25Å; Y111-I114 PolarHBondContact O-N 3.45Å; I114-Q117 PolarHBondContact O-N 3.07Å; I114-I118 HydrophobicContact CG2-CD1 3.69Å; I114-I118 HydrophobicContact CG2-CG1 4.41Å; I114-I118 WeakPolarHBondContact O-CB 3.23Å; I114-I118 WeakPolarHBondContact O-CD1 3.36Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 3.5Å; I114-I142 HydrophobicContact CD1-CG2 4.3Å; I114-I142 HydrophobicContact CG2-CD1 3.84Å; I114-I142 HydrophobicContact CG2-CG1 4.47Å; I114-I142 HydrophobicContact CG2-CG2 3.72Å
115I82.6Confident79.3Confident82 Ų8286 Ų8642%0.42148%0.479SS..Hα-helixtrans-61.3-49.3177.4-68.9166.3000109Y111 S112 Q117 I118 W119Y111-I115 WeakPolarHBondContact O-CB 3.44Å; Y111-I115 VanDerWaalsContact O-CG1 3.25Å; Y111-I115 WeakPolarHBondContact O-CG1 3.24Å; Y111-I115 PolarHBondContact O-N 3.47Å; S112-I115 PolarHBondContact O-N 2.81Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.28Å; I115-I118 PolarHBondContact O-N 3.31Å; I115-I118 VanDerWaalsContact O-N 3.11Å; I115-W119 PolarHBondContact O-N 3.42Å
116C85.1Confident77.9Confident70 Ų7089.7 Ų89.747%0.47350%0.499SS..Hα-helixtrans-56.2-47.3176.8-170.10000112S112 A113 I118 W119 I120S112-C116 VanDerWaalsContact O-CB 3.28Å; S112-C116 WeakPolarHBondContact O-CB 3.09Å; S112-C116 PolarHBondContact O-N 3.21Å; A113-C116 PolarHBondContact O-N 2.98Å; C116-I118 VanDerWaalsContact C-N 3.3Å; C116-I118 PolarHBondContact O-N 2.88Å; C116-W119 PolarHBondContact O-N 3.3Å; C116-W119 VanDerWaalsContact O-N 3.16Å; C116-I120 WeakPolarHBondContact O-CG1 3.35Å; C116-I120 PolarHBondContact O-N 3.44Å
117Q82.4Confident76.5Confident116 Ų11687.6 Ų87.654%0.54249%0.493SS..Hα-helixtrans-60.4-39.4177.6-17563.234.100112.2A113 I114 I115 S121A113-Q117 VanDerWaalsContact O-CB 3.31Å; A113-Q117 WeakPolarHBondContact O-CB 3.46Å; A113-Q117 PolarHBondContact O-N 2.95Å; I114-Q117 PolarHBondContact O-N 3.07Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.28Å; Q117-S121 PolarHBondContact NE2-OG 2.9Å; Q117-S121 VanDerWaalsContact O-CB 3.24Å; Q117-S121 WeakPolarHBondContact O-CB 3.3Å; Q117-S121 PolarHBondContact O-N 3.2Å; Q117-S121 PolarHBondContact O-OG 3.44Å
118I77.3Confident75.5Confident49 Ų4991.5 Ų91.525%0.25151%0.514SS..Hα-helixtrans-65-43.5177.4-70.7163.8000110.4I114 I115 C116 S121 T122 R139I114-I118 HydrophobicContact CG2-CD1 3.69Å; I114-I118 HydrophobicContact CG2-CG1 4.41Å; I114-I118 WeakPolarHBondContact O-CB 3.23Å; I114-I118 WeakPolarHBondContact O-CD1 3.36Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 3.5Å; I115-I118 PolarHBondContact O-N 3.31Å; I115-I118 VanDerWaalsContact O-N 3.11Å; C116-I118 VanDerWaalsContact C-N 3.3Å; C116-I118 PolarHBondContact O-N 2.88Å; I118-S121 PolarHBondContact O-N 3.45Å; I118-T122 PolarHBondContact O-N 2.89Å; I118-T122 PolarHBondContact O-OG1 3.14Å; I118-R139 HydrophobicContact CD1-CG 3.95Å; I118-R139 HydrophobicContact CG1-CG 4.33Å
119W79Confident74.5Confident194 Ų19491.2 Ų91.274%0.73552%0.516SS*.Hα-helixtrans-66.6-40.7-179.1-75.952.1000112I115 C116 S121 T122I115-W119 PolarHBondContact O-N 3.42Å; C116-W119 PolarHBondContact O-N 3.3Å; C116-W119 VanDerWaalsContact O-N 3.16Å; W119-S121 VanDerWaalsContact C-N 3.33Å; W119-T122 VanDerWaalsContact C-OG1 3.29Å; W119-T122 WeakPolarHBondContact CA-OG1 3.33Å; W119-T122 PolarHBondContact O-N 2.81Å; W119-T122 PolarHBondContact O-OG1 3.24Å
120I76.9Confident73.4Confident110 Ų11093.2 Ų93.256%0.56452%0.524SS*.Hα-helixtrans-66.2-37.7175-64.3164.9000110.9C116 T122C116-I120 WeakPolarHBondContact O-CG1 3.35Å; C116-I120 PolarHBondContact O-N 3.44Å; I120-T122 VanDerWaalsContact C-N 3.27Å; I120-T122 PolarHBondContact O-N 2.72Å
121S68.7Low72.4Confident74 Ų7499.6 Ų99.652%0.51754%0.541SS..THydrogen-bonded Turntrans-80.5-1.4-176.9-54.60000114.1Q117 I118 W119 I123Q117-S121 PolarHBondContact NE2-OG 2.9Å; Q117-S121 VanDerWaalsContact O-CB 3.24Å; Q117-S121 WeakPolarHBondContact O-CB 3.3Å; Q117-S121 PolarHBondContact O-N 3.2Å; Q117-S121 PolarHBondContact O-OG 3.44Å; I118-S121 PolarHBondContact O-N 3.45Å; W119-S121 VanDerWaalsContact C-N 3.33Å; S121-I123 PolarHBondContact O-N 3.28Å
122T62.5Low71.6Confident81 Ų81101.2 Ų101.250%0.49755%0.551SS.*THydrogen-bonded Turntrans-77.72-174.7-4.60000115.2I118 W119 I120 P124I118-T122 PolarHBondContact O-N 2.89Å; I118-T122 PolarHBondContact O-OG1 3.14Å; W119-T122 VanDerWaalsContact C-OG1 3.29Å; W119-T122 WeakPolarHBondContact CA-OG1 3.33Å; W119-T122 PolarHBondContact O-N 2.81Å; W119-T122 PolarHBondContact O-OG1 3.24Å; I120-T122 VanDerWaalsContact C-N 3.27Å; I120-T122 PolarHBondContact O-N 2.72Å; T122-P124 WeakPolarHBondContact O-CD 3.49Å
123I59.5Low70.8Confident151 Ų151100.7 Ų100.777%0.77454%0.541SS*.  trans-81.1100173.7-51.4165.4000107.7S121 G125S121-I123 PolarHBondContact O-N 3.28Å; I123-G125 PolarHBondContact O-N 3.18Å; I123-G125 VanDerWaalsContact O-N 3.07Å
124P57.9Low69.9Low118 Ų118107.3 Ų107.377%0.76655%0.554SS**  trans-8883.2-172.426.2-9.7000108.8T122T122-P124 WeakPolarHBondContact O-CD 3.49Å
125G57Low69.3Low64 Ų64107 Ų10766%0.6656%0.557SS**  trans-84.2109.816300000109.3I123 G127I123-G125 PolarHBondContact O-N 3.18Å; I123-G125 VanDerWaalsContact O-N 3.07Å; G125-G127 PolarHBondContact O-N 3.39Å
126E58.1Low68.9Low209 Ų209110.6 Ų110.698%0.97757%0.565SS**SBendtrans35.844.1160.4-125.9164.5162.100117
127G61.7Low68.3Low33 Ų33110 Ų11034%0.3457%0.565SS.*  trans-87.1129.7-17800000111.7G125 V129 I132G125-G127 PolarHBondContact O-N 3.39Å; G127-V129 PolarHBondContact O-N 2.77Å; G127-I132 WeakPolarHBondContact O-CD1 3.46Å
128N64.8Low68Low131 Ų131107.2 Ų107.270%0.70156%0.558SS**  trans-34.2122.3171.4-77-30.2000112.1H130 R131 I132N128-H130 PolarHBondContact O-N 2.81Å; N128-R131 HydrophobicContact CB-CB 4.38Å; N128-R131 WeakPolarHBondContact O-CA 3.13Å; N128-R131 WeakPolarHBondContact O-CB 3.46Å; N128-R131 PolarHBondContact O-N 3.4Å; N128-I132 PolarHBondContact O-N 2.93Å
129V67.8Low68.2Low89 Ų89109 Ų10954%0.53956%0.562SS.*Hα-helixtrans-48.4-39.1-177.9177.90000111.7G127 R131 I132 E133G127-V129 PolarHBondContact O-N 2.77Å; V129-R131 PolarHBondContact O-N 3.03Å; V129-I132 WeakPolarHBondContact O-CB 3.38Å; V129-I132 PolarHBondContact O-N 3.22Å; V129-E133 HydrophobicContact CG1-CG 4.46Å; V129-E133 WeakPolarHBondContact O-CG 3.3Å; V129-E133 PolarHBondContact O-N 3.31Å
130H68Low68.2Low124 Ų124102.5 Ų102.557%0.57454%0.539SS*.Hα-helixtrans-62.2-34.8175.3-71.3-28.9000114.7N128 E133 R134N128-H130 PolarHBondContact O-N 2.81Å; H130-E133 IonicContact ND1-OE2 3.29Å; H130-E133 PolarHBondContact ND1-OE2 2.83Å; H130-R134 WeakPolarHBondContact O-CB 3.39Å; H130-R134 PolarHBondContact O-N 2.86Å
131R67Low68.5Low197 Ų197102.4 Ų102.474%0.74354%0.539SS*.Hα-helixtrans-68.4-39.4175.4-170.1178.1178.5-170-0.9110.4N128 V129 S135N128-R131 HydrophobicContact CB-CB 4.38Å; N128-R131 WeakPolarHBondContact O-CA 3.13Å; N128-R131 WeakPolarHBondContact O-CB 3.46Å; N128-R131 PolarHBondContact O-N 3.4Å; V129-R131 PolarHBondContact O-N 3.03Å; R131-S135 WeakPolarHBondContact O-CB 3.31Å; R131-S135 PolarHBondContact O-N 3.4Å; R131-S135 PolarHBondContact O-OG 3.07Å
132I69.2Low69.3Low64 Ų64101 Ų10133%0.32853%0.525SS..Hα-helixtrans-64.3-46.4175.8-58.8174.9000109.9G127 N128 V129 S135 R136G127-I132 WeakPolarHBondContact O-CD1 3.46Å; N128-I132 PolarHBondContact O-N 2.93Å; V129-I132 WeakPolarHBondContact O-CB 3.38Å; V129-I132 PolarHBondContact O-N 3.22Å; I132-S135 PolarHBondContact O-N 3.01Å; I132-S135 PolarHBondContact O-OG 2.97Å; I132-R136 WeakPolarHBondContact O-CG 3.48Å; I132-R136 PolarHBondContact O-N 2.91Å
133E68.8Low70.3Confident53 Ų53103 Ų10325%0.24853%0.527CS..Hα-helixtrans-61.9-46.6177.1-71175.5152.400112.6V129 H130 S135 R136 A137 Q306V129-E133 HydrophobicContact CG1-CG 4.46Å; V129-E133 WeakPolarHBondContact O-CG 3.3Å; V129-E133 PolarHBondContact O-N 3.31Å; H130-E133 IonicContact ND1-OE2 3.29Å; H130-E133 PolarHBondContact ND1-OE2 2.83Å; E133-S135 VanDerWaalsContact C-N 3.29Å; E133-S135 PolarHBondContact O-N 2.85Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.24Å; E133-R136 VanDerWaalsContact O-N 3.09Å; E133-A137 PolarHBondContact O-N 2.94Å; E133-Q306 PolarHBondContact OE1-NE2 2.91Å; E133-Q306 PolarHBondContact OE2-NE2 3.39Å
134R69.7Low71.6Confident196 Ų19696.1 Ų96.174%0.7449%0.491SS*.Hα-helixtrans-59-42.1175.9-173.4172-177.4166.60.2111.4H130 R136 A137 S138H130-R134 WeakPolarHBondContact O-CB 3.39Å; H130-R134 PolarHBondContact O-N 2.86Å; R134-R136 VanDerWaalsContact C-N 3.33Å; R134-R136 PolarHBondContact O-N 3.39Å; R134-A137 PolarHBondContact O-N 3.38Å; R134-S138 PolarHBondContact O-N 3.47Å; R134-S138 PolarHBondContact O-OG 3.13Å
135S71.4Confident72.9Confident43 Ų4394 Ų9430%0.30148%0.476SS..Hα-helixtrans-64.8-35176.278.10000112.7R131 I132 E133 R139R131-S135 WeakPolarHBondContact O-CB 3.31Å; R131-S135 PolarHBondContact O-N 3.4Å; R131-S135 PolarHBondContact O-OG 3.07Å; I132-S135 PolarHBondContact O-N 3.01Å; I132-S135 PolarHBondContact O-OG 2.97Å; E133-S135 VanDerWaalsContact C-N 3.29Å; E133-S135 PolarHBondContact O-N 2.85Å; S135-R139 WeakPolarHBondContact O-CB 3.4Å; S135-R139 VanDerWaalsContact O-CG 3.23Å; S135-R139 WeakPolarHBondContact O-CG 2.89Å; S135-R139 PolarHBondContact O-N 3.39Å; S135-R139 PolarHBondContact O-NE 3.28Å; S135-R139 VanDerWaalsContact O-NE 3.1Å; S135-R139 PolarHBondContact OG-NH2 3.42Å
136R74.2Confident74.3Confident157 Ų15793.4 Ų93.459%0.59246%0.457SS*.Hα-helixtrans-66.4-43.5175.4-73.4177-179.7177-0.4111.1I132 E133 R134 R139 K140I132-R136 WeakPolarHBondContact O-CG 3.48Å; I132-R136 PolarHBondContact O-N 2.91Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.24Å; E133-R136 VanDerWaalsContact O-N 3.09Å; R134-R136 VanDerWaalsContact C-N 3.33Å; R134-R136 PolarHBondContact O-N 3.39Å; R136-R139 PolarHBondContact O-N 3.07Å; R136-K140 PolarHBondContact O-N 3.06Å
137A73.2Confident75.8Confident58 Ų5885.2 Ų85.248%0.47942%0.42SS..Hα-helixtrans-62-46.6176.400000112.1E133 R134 R139 K140 L141E133-A137 PolarHBondContact O-N 2.94Å; R134-A137 PolarHBondContact O-N 3.38Å; A137-R139 PolarHBondContact O-N 3.36Å; A137-K140 WeakPolarHBondContact O-CB 3.07Å; A137-K140 PolarHBondContact O-N 3.27Å; A137-L141 PolarHBondContact O-N 3.42Å; A137-L141 VanDerWaalsContact O-N 3.13Å
138S76.3Confident77Confident56 Ų5685 Ų8539%0.39241%0.412SS..Hα-helixtrans-61.8-42.8176.5-61.30000112.3R134 K140 L141 I142R134-S138 PolarHBondContact O-N 3.47Å; R134-S138 PolarHBondContact O-OG 3.13Å; S138-K140 VanDerWaalsContact C-N 3.25Å; S138-K140 PolarHBondContact O-N 3.45Å; S138-L141 PolarHBondContact O-N 3.3Å; S138-L141 VanDerWaalsContact O-N 3.16Å; S138-I142 WeakPolarHBondContact O-CD1 3.46Å; S138-I142 WeakPolarHBondContact O-CG1 3.21Å; S138-I142 PolarHBondContact O-N 2.72Å
139R80.2Confident78.1Confident88 Ų8879.4 Ų79.433%0.33238%0.384SS..Hα-helixtrans-58.8-38175.7-79.7-179.4-77.2-161-0.8112.4I118 S135 R136 A137 I142 K143I118-R139 HydrophobicContact CD1-CG 3.95Å; I118-R139 HydrophobicContact CG1-CG 4.33Å; S135-R139 WeakPolarHBondContact O-CB 3.4Å; S135-R139 VanDerWaalsContact O-CG 3.23Å; S135-R139 WeakPolarHBondContact O-CG 2.89Å; S135-R139 PolarHBondContact O-N 3.39Å; S135-R139 PolarHBondContact O-NE 3.28Å; S135-R139 VanDerWaalsContact O-NE 3.1Å; S135-R139 PolarHBondContact OG-NH2 3.42Å; R136-R139 PolarHBondContact O-N 3.07Å; A137-R139 PolarHBondContact O-N 3.36Å; R139-I142 PolarHBondContact O-N 2.82Å; R139-K143 PolarHBondContact O-N 3.35Å
140K80.2Confident79Confident57 Ų5777.9 Ų77.925%0.24838%0.377CS..Hα-helixtrans-65-44.2176.2-172.1179.1178.4-172.20111.9R136 A137 S138 K143 M144 M203R136-K140 PolarHBondContact O-N 3.06Å; A137-K140 WeakPolarHBondContact O-CB 3.07Å; A137-K140 PolarHBondContact O-N 3.27Å; S138-K140 VanDerWaalsContact C-N 3.25Å; S138-K140 PolarHBondContact O-N 3.45Å; K140-K143 PolarHBondContact O-N 3.03Å; K140-M144 WeakPolarHBondContact O-CG 3.24Å; K140-M144 PolarHBondContact O-N 3.33Å; K140-M144 VanDerWaalsContact O-N 3.12Å; K140-M203 WeakPolarHBondContact CE-O 3.47Å; K140-M203 PolarHBondContact NZ-O 2.92Å
141L83.2Confident79.9Confident108 Ų10874.7 Ų74.757%0.56536%0.364SS*.Hα-helixtrans-60.2-47.7175.9-67.2175.3000110.8A137 S138 K143 M144 V145A137-L141 PolarHBondContact O-N 3.42Å; A137-L141 VanDerWaalsContact O-N 3.13Å; S138-L141 PolarHBondContact O-N 3.3Å; S138-L141 VanDerWaalsContact O-N 3.16Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 3.14Å; L141-M144 WeakPolarHBondContact O-CA 3.39Å; L141-M144 WeakPolarHBondContact O-CB 3.44Å; L141-M144 PolarHBondContact O-N 3.48Å; L141-V145 WeakPolarHBondContact O-CG2 3.33Å; L141-V145 PolarHBondContact O-N 2.93Å
142I84.2Confident80.9Confident44 Ų4468.3 Ų68.323%0.22634%0.34CS..Hα-helixtrans-54-48.7175.7-70158.4000110.8Y111 I114 S138 R139 M144 V145 I146Y111-I142 HydrophobicContact CD1-CG2 4.25Å; Y111-I142 HydrophobicContact CE1-CG2 4.15Å; I114-I142 HydrophobicContact CD1-CG2 4.3Å; I114-I142 HydrophobicContact CG2-CD1 3.84Å; I114-I142 HydrophobicContact CG2-CG1 4.47Å; I114-I142 HydrophobicContact CG2-CG2 3.72Å; S138-I142 WeakPolarHBondContact O-CD1 3.46Å; S138-I142 WeakPolarHBondContact O-CG1 3.21Å; S138-I142 PolarHBondContact O-N 2.72Å; R139-I142 PolarHBondContact O-N 2.82Å; I142-M144 PolarHBondContact O-N 2.97Å; I142-V145 PolarHBondContact O-N 3.32Å; I142-V145 VanDerWaalsContact O-N 3.07Å; I142-I146 HydrophobicContact CG2-CD1 4Å; I142-I146 HydrophobicContact CG2-CG1 4.45Å; I142-I146 WeakPolarHBondContact O-CG1 3.41Å; I142-I146 PolarHBondContact O-N 3.45Å
143K83.1Confident81.7Confident123 Ų12366.3 Ų66.354%0.53533%0.333SS..Hα-helixtrans-56.4-38.3177.7-176.2177.2179.1176.40112.3R139 K140 L141 I146 I147R139-K143 PolarHBondContact O-N 3.35Å; K140-K143 PolarHBondContact O-N 3.03Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 3.14Å; K143-I146 PolarHBondContact O-N 2.94Å; K143-I147 HydrophobicContact CG-CD1 4.31Å; K143-I147 WeakPolarHBondContact O-CG1 3.49Å; K143-I147 PolarHBondContact O-N 3.34Å
144M86.9Confident82.6Confident6 Ų669.2 Ų69.23%0.0335%0.349CS..Hα-helixtrans-65.3-45.3175.8-64.4-178.960.900111.8K140 L141 I142 I146 I147 V148 V199 Y200 M203K140-M144 WeakPolarHBondContact O-CG 3.24Å; K140-M144 PolarHBondContact O-N 3.33Å; K140-M144 VanDerWaalsContact O-N 3.12Å; L141-M144 WeakPolarHBondContact O-CA 3.39Å; L141-M144 WeakPolarHBondContact O-CB 3.44Å; L141-M144 PolarHBondContact O-N 3.48Å; I142-M144 PolarHBondContact O-N 2.97Å; M144-I146 VanDerWaalsContact C-N 3.3Å; M144-I146 PolarHBondContact O-N 3.05Å; M144-I147 PolarHBondContact O-N 3.25Å; M144-V148 WeakPolarHBondContact O-CG2 3.2Å; M144-V148 PolarHBondContact O-N 2.96Å; M144-V199 HydrophobicContact CB-CG1 4.38Å; M144-V199 HydrophobicContact CE-CG1 4.39Å; M144-Y200 HydrophobicContact CE-CD1 3.53Å; M144-Y200 HydrophobicContact CE-CE1 4.09Å; M144-Y200 HydrophobicContact CE-CG 4.28Å; M144-M203 HydrophobicContact CE-CB 3.71Å; M144-M203 HydrophobicContact CG-CB 3.46Å; M144-M203 VanDerWaalsContact CG-CB 3.46Å; M144-M203 HydrophobicContact CG-CG 4.25Å; M144-M203 HydrophobicContact CG-SD 3.98Å; M144-M203 HydrophobicContact SD-CB 3.58Å; M144-M203 VanDerWaalsContact SD-CB 3.58Å
145V86.5Confident83.4Confident75 Ų7560 Ų6046%0.45532%0.315SS..Hα-helixtrans-65.9-34.5179.5-163.40000111.1Y111 L141 I142 I147 V148 A149Y111-V145 WeakPolarHBondContact OH-CB 3.43Å; Y111-V145 WeakPolarHBondContact OH-CG1 3.37Å; Y111-V145 PolarHBondContact OH-O 3.02Å; L141-V145 WeakPolarHBondContact O-CG2 3.33Å; L141-V145 PolarHBondContact O-N 2.93Å; I142-V145 PolarHBondContact O-N 3.32Å; I142-V145 VanDerWaalsContact O-N 3.07Å; V145-I147 VanDerWaalsContact C-N 3.34Å; V145-I147 PolarHBondContact O-N 3.34Å; V145-V148 PolarHBondContact O-N 3Å; V145-A149 VanDerWaalsContact O-CB 3.3Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 3.09Å
146I86.8Confident84Confident50 Ų5058.9 Ų58.926%0.25631%0.305SS..Hα-helixtrans-58.3-47.9172.7-67.6170.6000110.4Y111 I142 K143 M144 V148 A149 S150Y111-I146 HydrophobicContact CD1-CD1 3.73Å; Y111-I146 HydrophobicContact CD1-CG1 3.28Å; Y111-I146 HydrophobicContact CD2-CG1 4.02Å; Y111-I146 HydrophobicContact CE1-CB 4.41Å; Y111-I146 HydrophobicContact CE1-CD1 4.07Å; Y111-I146 HydrophobicContact CE1-CG1 3.24Å; Y111-I146 HydrophobicContact CE2-CG1 3.97Å; Y111-I146 HydrophobicContact CG-CD1 4.23Å; Y111-I146 HydrophobicContact CG-CG1 3.71Å; Y111-I146 PolarHBondContact OH-N 2.97Å; I142-I146 HydrophobicContact CG2-CD1 4Å; I142-I146 HydrophobicContact CG2-CG1 4.45Å; I142-I146 WeakPolarHBondContact O-CG1 3.41Å; I142-I146 PolarHBondContact O-N 3.45Å; K143-I146 PolarHBondContact O-N 2.94Å; M144-I146 VanDerWaalsContact C-N 3.3Å; M144-I146 PolarHBondContact O-N 3.05Å; I146-V148 PolarHBondContact O-N 3.4Å; I146-A149 WeakPolarHBondContact O-CB 3.17Å; I146-A149 PolarHBondContact O-N 2.64Å; I146-S150 PolarHBondContact O-N 2.84Å; I146-S150 PolarHBondContact O-OG 3.36Å; I146-S150 VanDerWaalsContact O-OG 3.04Å
147I88.2Confident84.6Confident38 Ų3855.1 Ų55.120%0.19530%0.296CS..Hα-helixtrans-65.6-43.2-177.2-69.1166.5000111.1K143 M144 V145 A149 S150 L151 V199 M203K143-I147 HydrophobicContact CG-CD1 4.31Å; K143-I147 WeakPolarHBondContact O-CG1 3.49Å; K143-I147 PolarHBondContact O-N 3.34Å; M144-I147 PolarHBondContact O-N 3.25Å; V145-I147 VanDerWaalsContact C-N 3.34Å; V145-I147 PolarHBondContact O-N 3.34Å; I147-A149 VanDerWaalsContact C-N 3.3Å; I147-A149 PolarHBondContact O-N 3.49Å; I147-S150 PolarHBondContact O-N 3.29Å; I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.42Å; I147-L151 WeakPolarHBondContact O-CB 3.22Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.16Å; I147-V199 HydrophobicContact CB-CG1 4.46Å; I147-V199 HydrophobicContact CG2-CG1 4.23Å; I147-V199 HydrophobicContact CG2-CG2 3.86Å; I147-M203 HydrophobicContact CD1-CE 3.07Å; I147-M203 HydrophobicContact CD1-SD 3.46Å; I147-M203 WeakPolarHBondContact CD1-SD 3.24Å
148V87.2Confident85.1Confident27 Ų2754.5 Ų54.516%0.16429%0.287CS..Hα-helixtrans-58.7-45.3174.4173.30000110.6M144 V145 I146 L151 Y152 N196 V199M144-V148 WeakPolarHBondContact O-CG2 3.2Å; M144-V148 PolarHBondContact O-N 2.96Å; V145-V148 PolarHBondContact O-N 3Å; I146-V148 PolarHBondContact O-N 3.4Å; V148-L151 PolarHBondContact O-N 3.24Å; V148-Y152 PolarHBondContact O-N 2.97Å; V148-N196 WeakPolarHBondContact CG1-OD1 3.2Å; V148-V199 HydrophobicContact CG2-CB 3.89Å; V148-V199 HydrophobicContact CG2-CG1 3.76Å; V148-V199 HydrophobicContact CG2-CG2 4.06Å
149A87.4Confident85.3Confident14 Ų1453.9 Ų53.912%0.11628%0.276CS..Hα-helixtrans-63.6-42.517800000112.7I107 Y111 V145 I146 I147 Y152 A153I107-A149 HydrophobicContact CD1-CB 3.93Å; I107-A149 HydrophobicContact CG1-CB 4.36Å; I107-A149 HydrophobicContact CG2-CB 3.94Å; Y111-A149 HydrophobicContact CE2-CB 4.16Å; V145-A149 VanDerWaalsContact O-CB 3.3Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 3.09Å; I146-A149 WeakPolarHBondContact O-CB 3.17Å; I146-A149 PolarHBondContact O-N 2.64Å; I147-A149 VanDerWaalsContact C-N 3.3Å; I147-A149 PolarHBondContact O-N 3.49Å; A149-Y152 PolarHBondContact O-N 3.09Å; A149-A153 PolarHBondContact O-N 3.32Å
150S87Confident85.4Confident58 Ų5850.2 Ų50.241%0.40626%0.263SS..Hα-helixtrans-64.3-42.2176.3-60.70000111.9I146 I147 Y152 A153 I154I146-S150 PolarHBondContact O-N 2.84Å; I146-S150 PolarHBondContact O-OG 3.36Å; I146-S150 VanDerWaalsContact O-OG 3.04Å; I147-S150 PolarHBondContact O-N 3.29Å; S150-Y152 VanDerWaalsContact C-N 3.34Å; S150-A153 PolarHBondContact O-N 2.98Å; S150-I154 WeakPolarHBondContact O-CB 3.49Å; S150-I154 VanDerWaalsContact O-CG1 3.25Å; S150-I154 WeakPolarHBondContact O-CG1 3.33Å; S150-I154 PolarHBondContact O-N 3.19Å
151L88.2Confident85.6Confident56 Ų5651.5 Ų51.529%0.29327%0.271SS..Hα-helixtrans-64.3-39.8176-71.3170.6000111.6I147 V148 S155 Y195 V199I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.42Å; I147-L151 WeakPolarHBondContact O-CB 3.22Å; I147-L151 VanDerWaalsContact O-CG 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.16Å; V148-L151 PolarHBondContact O-N 3.24Å; L151-S155 VanDerWaalsContact O-CB 3.27Å; L151-S155 WeakPolarHBondContact O-CB 3.34Å; L151-S155 PolarHBondContact O-N 3.26Å; L151-S155 PolarHBondContact O-OG 3.32Å; L151-Y195 HydrophobicContact CB-CD2 3.63Å; L151-Y195 HydrophobicContact CB-CE2 4.12Å; L151-Y195 HydrophobicContact CB-CG 4.16Å; L151-Y195 HydrophobicContact CD1-CD2 4.45Å; L151-Y195 HydrophobicContact CD1-CG 4.14Å; L151-V199 HydrophobicContact CD1-CG2 3.69Å
152Y86.9Confident85.3Confident64 Ų6447.5 Ų47.525%0.25125%0.25SS..Hα-helixtrans-60.4-46.3172.3178-101.2000111.7Q99 V148 A149 S150 S155 Q156 A192Q99-Y152 PolarHBondContact O-OH 3.23Å; V148-Y152 PolarHBondContact O-N 2.97Å; A149-Y152 PolarHBondContact O-N 3.09Å; S150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-S155 PolarHBondContact O-OG 2.85Å; Y152-S155 VanDerWaalsContact O-OG 3.09Å; Y152-Q156 HydrophobicContact CD2-CG 4.09Å; Y152-Q156 HydrophobicContact CE1-CG 4.32Å; Y152-Q156 HydrophobicContact CE2-CG 3.78Å; Y152-Q156 HydrophobicContact CG-CG 4.5Å; Y152-Q156 WeakPolarHBondContact O-CB 3.31Å; Y152-Q156 WeakPolarHBondContact O-CG 3.37Å; Y152-Q156 PolarHBondContact O-N 2.81Å; Y152-Q156 VanDerWaalsContact O-N 3.1Å; Y152-A192 HydrophobicContact CD2-CB 4.36Å
153A87Confident84.9Confident21 Ų2147.1 Ų47.117%0.17425%0.246CC..Hα-helixtrans-62.1-47.4178.300000112.2Y100 L104 A149 S150 Q156 L157Y100-A153 PolarHBondContact OH-O 3.07Å; L104-A153 HydrophobicContact CD1-CB 3.99Å; A149-A153 PolarHBondContact O-N 3.32Å; S150-A153 PolarHBondContact O-N 2.98Å; A153-Q156 PolarHBondContact O-N 3.11Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.45Å; A153-L157 PolarHBondContact O-N 2.79Å
154I86.9Confident84.6Confident115 Ų11544.7 Ų44.759%0.5924%0.239SC*.Hα-helixtrans-66.1-41.1-178.9-66.9164.5000111.5S150 L157 P158S150-I154 WeakPolarHBondContact O-CB 3.49Å; S150-I154 VanDerWaalsContact O-CG1 3.25Å; S150-I154 WeakPolarHBondContact O-CG1 3.33Å; S150-I154 PolarHBondContact O-N 3.19Å; I154-L157 PolarHBondContact O-N 3.27Å; I154-P158 WeakPolarHBondContact O-CD 3.48Å
155S86.8Confident84.2Confident3 Ų347.3 Ų47.32%0.02125%0.253CS..Hα-helixtrans-72.3-29.9-178.655.10000113.5L151 Y152 S188L151-S155 VanDerWaalsContact O-CB 3.27Å; L151-S155 WeakPolarHBondContact O-CB 3.34Å; L151-S155 PolarHBondContact O-N 3.26Å; L151-S155 PolarHBondContact O-OG 3.32Å; Y152-S155 PolarHBondContact O-OG 2.85Å; Y152-S155 VanDerWaalsContact O-OG 3.09Å; S155-S188 WeakPolarHBondContact CA-OG 3.21Å; S155-S188 WeakPolarHBondContact O-CB 3.16Å; S155-S188 PolarHBondContact O-OG 3.25Å
156Q84.6Confident83.4Confident19 Ų1945.7 Ų45.79%0.08924%0.243CC..Hα-helixtrans-83.4-21.7177-67.6-73.119.200113.1Y100 Y152 A153 R159 H160Y100-Q156 HydrophobicContact CD2-CB 3.99Å; Y100-Q156 HydrophobicContact CE2-CB 3.85Å; Y152-Q156 HydrophobicContact CD2-CG 4.09Å; Y152-Q156 HydrophobicContact CE1-CG 4.32Å; Y152-Q156 HydrophobicContact CE2-CG 3.78Å; Y152-Q156 HydrophobicContact CG-CG 4.5Å; Y152-Q156 WeakPolarHBondContact O-CB 3.31Å; Y152-Q156 WeakPolarHBondContact O-CG 3.37Å; Y152-Q156 PolarHBondContact O-N 2.81Å; Y152-Q156 VanDerWaalsContact O-N 3.1Å; A153-Q156 PolarHBondContact O-N 3.11Å; Q156-R159 WeakPolarHBondContact O-CB 3.4Å; Q156-R159 PolarHBondContact O-N 3.35Å; Q156-R159 VanDerWaalsContact OE1-CZ 3.3Å; Q156-H160 PolarHBondContact O-CD2 3.12Å; Q156-H160 VanDerWaalsContact O-CD2 3.25Å; Q156-H160 PolarHBondContact O-N 3.16Å
157L85.1Confident82.5Confident77 Ų7746.9 Ų46.940%0.40325%0.248SC..Hα-helixtrans-57.7-45.6-177.8176.7154.8000113.5A153 I154 R159 H160 I161A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.45Å; A153-L157 PolarHBondContact O-N 2.79Å; I154-L157 PolarHBondContact O-N 3.27Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 3.06Å; L157-H160 PolarHBondContact O-N 3.13Å; L157-H160 VanDerWaalsContact O-N 3.14Å; L157-I161 HydrophobicContact CD2-CD1 3.3Å; L157-I161 HydrophobicContact CD2-CG1 4.08Å; L157-I161 HydrophobicContact CG-CD1 4.01Å; L157-I161 HydrophobicContact CG-CG1 4.39Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 2.85Å
158P85Confident81.8Confident45 Ų4551.2 Ų51.229%0.29227%0.272SS..Hα-helixtrans-54.9-44.3176.8-2833.5000113I154 H160 I161 I162 C185I154-P158 WeakPolarHBondContact O-CD 3.48Å; P158-H160 PolarHBondContact O-N 2.97Å; P158-I161 PolarHBondContact O-N 3.46Å; P158-I162 WeakPolarHBondContact O-CG1 3.34Å; P158-I162 PolarHBondContact O-N 3.02Å; P158-C185 VanDerWaalsContact C-SG 3.52Å
159R80.6Confident81.1Confident44 Ų4456.8 Ų56.817%0.16629%0.294CS..Hα-helixtrans-60.3-45.2178.3-177.6179.456.2767.4111.3Q156 L157 Y163 C185Q156-R159 WeakPolarHBondContact O-CB 3.4Å; Q156-R159 PolarHBondContact O-N 3.35Å; Q156-R159 VanDerWaalsContact OE1-CZ 3.3Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 3.06Å; R159-Y163 WeakPolarHBondContact O-CB 3.5Å; R159-Y163 PolarHBondContact O-N 3.2Å; R159-C185 HydrophobicContact CB-CB 4.02Å
160H81.7Confident80.1Confident11 Ų1160.4 Ų60.45%0.05132%0.316CS..Hα-helixtrans-68.9-35178-73.6-64.5000113.1Y100 Q156 L157 P158 L164Y100-H160 WeakPolarHBondContact CB-NE2 2.99Å; Y100-H160 AromaticContact CD1-CD2 3.69Å; Y100-H160 AromaticContact CD1-NE2 3.88Å; Y100-H160 AromaticContact CD2-CD2 3.63Å; Y100-H160 AromaticContact CD2-NE2 3.59Å; Y100-H160 AromaticContact CG-CD2 3.46Å; Y100-H160 VanDerWaalsContact CG-CD2 3.46Å; Y100-H160 AromaticContact CG-NE2 3.27Å; Y100-H160 VanDerWaalsContact CG-NE2 3.27Å; Q156-H160 PolarHBondContact O-CD2 3.12Å; Q156-H160 VanDerWaalsContact O-CD2 3.25Å; Q156-H160 PolarHBondContact O-N 3.16Å; L157-H160 PolarHBondContact O-N 3.13Å; L157-H160 VanDerWaalsContact O-N 3.14Å; P158-H160 PolarHBondContact O-N 2.97Å; H160-L164 WeakPolarHBondContact O-CB 3.39Å; H160-L164 VanDerWaalsContact O-CG 3.26Å; H160-L164 WeakPolarHBondContact O-CG 3.33Å; H160-L164 PolarHBondContact O-N 3.39Å
161I83.7Confident79.2Confident83 Ų8365.1 Ų65.143%0.42634%0.337SS..Hα-helixtrans-65.6-50.8175.7-70.6-178.1000110.7L157 P158 Y163 L164 I165L157-I161 HydrophobicContact CD2-CD1 3.3Å; L157-I161 HydrophobicContact CD2-CG1 4.08Å; L157-I161 HydrophobicContact CG-CD1 4.01Å; L157-I161 HydrophobicContact CG-CG1 4.39Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 2.85Å; P158-I161 PolarHBondContact O-N 3.46Å; I161-Y163 VanDerWaalsContact C-N 3.26Å; I161-Y163 PolarHBondContact O-N 3.06Å; I161-L164 PolarHBondContact O-N 3.34Å; I161-I165 HydrophobicContact CG2-CD1 3.69Å; I161-I165 HydrophobicContact CG2-CG1 4.36Å; I161-I165 VanDerWaalsContact O-CG1 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.39Å; I161-I165 PolarHBondContact O-N 3.29Å
162I78.4Confident78Confident24 Ų2464.9 Ų64.912%0.12334%0.343CS..Hα-helixtrans-59-44.1178.2-66.9-58.3000110P158 L164 I165 T166 F173 C185P158-I162 WeakPolarHBondContact O-CG1 3.34Å; P158-I162 PolarHBondContact O-N 3.02Å; I162-L164 PolarHBondContact O-N 2.84Å; I162-I165 PolarHBondContact O-N 3Å; I162-I165 VanDerWaalsContact O-N 3.17Å; I162-T166 PolarHBondContact O-N 3.1Å; I162-T166 PolarHBondContact O-OG1 3.25Å; I162-F173 HydrophobicContact CD1-CE1 4.45Å; I162-F173 HydrophobicContact CD1-CZ 3.84Å; I162-C185 WeakPolarHBondContact CG1-SG 3.37Å
163Y74.9Confident76.9Confident36 Ų3664.4 Ų64.414%0.14134%0.342CS..Hα-helixtrans-56-48175.7-174.3-84.5000112.6N92 I96 R159 I161 I165 T166 M167N92-Y163 HydrophobicContact CB-CE1 4.23Å; N92-Y163 HydrophobicContact CB-CE2 4.41Å; N92-Y163 WeakPolarHBondContact CB-OH 3.46Å; N92-Y163 PolarHBondContact ND2-OH 3.42Å; I96-Y163 HydrophobicContact CD1-CD1 3.49Å; I96-Y163 VanDerWaalsContact CD1-CD1 3.49Å; I96-Y163 HydrophobicContact CD1-CE1 3.58Å; I96-Y163 HydrophobicContact CD1-CG 4.49Å; I96-Y163 HydrophobicContact CG1-CD1 4.47Å; R159-Y163 WeakPolarHBondContact O-CB 3.5Å; R159-Y163 PolarHBondContact O-N 3.2Å; I161-Y163 VanDerWaalsContact C-N 3.26Å; I161-Y163 PolarHBondContact O-N 3.06Å; Y163-I165 VanDerWaalsContact C-N 3.35Å; Y163-I165 PolarHBondContact O-N 3.33Å; Y163-T166 PolarHBondContact O-N 2.97Å; Y163-M167 HydrophobicContact CD1-CG 4.09Å; Y163-M167 HydrophobicContact CE1-CG 3.46Å; Y163-M167 VanDerWaalsContact CE1-CG 3.46Å; Y163-M167 HydrophobicContact CE1-SD 4.15Å; Y163-M167 HydrophobicContact CE2-CE 4.32Å; Y163-M167 VanDerWaalsContact O-CG 3.3Å; Y163-M167 WeakPolarHBondContact O-CG 3.45Å; Y163-M167 PolarHBondContact O-N 3.47Å; Y163-M167 WeakPolarHBondContact OH-CE 3.26Å; Y163-M167 PolarHBondContact OH-SD 3.29Å
164L76.7Confident75.9Confident73 Ų7370.7 Ų70.738%0.38237%0.368SS..Hα-helixtrans-64.6-36.9177.6-73170.4000112.7W93 H160 I161 I162 N168W93-L164 HydrophobicContact CH2-CD2 4.04Å; W93-L164 HydrophobicContact CZ2-CD2 4.44Å; H160-L164 WeakPolarHBondContact O-CB 3.39Å; H160-L164 VanDerWaalsContact O-CG 3.26Å; H160-L164 WeakPolarHBondContact O-CG 3.33Å; H160-L164 PolarHBondContact O-N 3.39Å; I161-L164 PolarHBondContact O-N 3.34Å; I162-L164 PolarHBondContact O-N 2.84Å; L164-N168 PolarHBondContact O-N 3.14Å; L164-N168 PolarHBondContact O-OD1 3.23Å
165I78Confident74.7Confident61 Ų6174 Ų7431%0.31337%0.373SS..Hα-helixtrans-66.7-46.4176.9-64.4166.1000110.1I161 I162 Y163 M167 N168 K169 A172 F173I161-I165 HydrophobicContact CG2-CD1 3.69Å; I161-I165 HydrophobicContact CG2-CG1 4.36Å; I161-I165 VanDerWaalsContact O-CG1 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.39Å; I161-I165 PolarHBondContact O-N 3.29Å; I162-I165 PolarHBondContact O-N 3Å; I162-I165 VanDerWaalsContact O-N 3.17Å; Y163-I165 VanDerWaalsContact C-N 3.35Å; Y163-I165 PolarHBondContact O-N 3.33Å; I165-M167 VanDerWaalsContact C-N 3.29Å; I165-M167 PolarHBondContact O-N 3.41Å; I165-N168 PolarHBondContact O-N 3.29Å; I165-K169 PolarHBondContact O-N 3Å; I165-A172 HydrophobicContact CG2-CB 4.03Å; I165-F173 HydrophobicContact CB-CE2 4.02Å; I165-F173 HydrophobicContact CB-CZ 4.34Å; I165-F173 HydrophobicContact CD1-CZ 4.33Å; I165-F173 HydrophobicContact CG2-CD2 4.37Å; I165-F173 HydrophobicContact CG2-CE2 3.39Å; I165-F173 HydrophobicContact CG2-CZ 3.77Å
166T70.9Confident73.8Confident41 Ų4179.3 Ų79.325%0.25240%0.401SS..Hα-helixtrans-61.8-36.4179.4-57.50000112.1I162 Y163I162-T166 PolarHBondContact O-N 3.1Å; I162-T166 PolarHBondContact O-OG1 3.25Å; Y163-T166 PolarHBondContact O-N 2.97Å
167M67.9Low73.2Confident75 Ų7581.5 Ų81.537%0.36942%0.416SS..Hα-helixtrans-67.4-40.3175.1-71.3-66.7106.800113.1L89 Y163 I165L89-M167 HydrophobicContact CD2-SD 3.85Å; Y163-M167 HydrophobicContact CD1-CG 4.09Å; Y163-M167 HydrophobicContact CE1-CG 3.46Å; Y163-M167 VanDerWaalsContact CE1-CG 3.46Å; Y163-M167 HydrophobicContact CE1-SD 4.15Å; Y163-M167 HydrophobicContact CE2-CE 4.32Å; Y163-M167 VanDerWaalsContact O-CG 3.3Å; Y163-M167 WeakPolarHBondContact O-CG 3.45Å; Y163-M167 PolarHBondContact O-N 3.47Å; Y163-M167 WeakPolarHBondContact OH-CE 3.26Å; Y163-M167 PolarHBondContact OH-SD 3.29Å; I165-M167 VanDerWaalsContact C-N 3.29Å; I165-M167 PolarHBondContact O-N 3.41Å
168N72Confident72.6Confident129 Ų12980.4 Ų80.469%0.6941%0.41SS*.Hα-helixtrans-86-27.8-175-74.441.7000113.2L164 I165L164-N168 PolarHBondContact O-N 3.14Å; L164-N168 PolarHBondContact O-OD1 3.23Å; I165-N168 PolarHBondContact O-N 3.29Å
169K73Confident71.9Confident143 Ų14383.6 Ų83.662%0.62242%0.424SS*.  trans-145.985.1-178.1-67.2-171.4178.1-178.40109.7I165 D171 A172I165-K169 PolarHBondContact O-N 3Å; K169-D171 PolarHBondContact O-N 3.44Å; K169-D171 VanDerWaalsContact O-N 3.16Å; K169-A172 HydrophobicContact CB-CB 3.7Å; K169-A172 WeakPolarHBondContact O-CB 3.35Å; K169-A172 PolarHBondContact O-N 2.9Å
170P66.9Low71.6Confident91 Ų9189.3 Ų89.359%0.59145%0.446SS*.G310 helixtrans-58.6-28.1176.323.1-32.9000112.2A172P170-A172 VanDerWaalsContact C-N 3.34Å; P170-A172 PolarHBondContact O-N 3.25Å
171D68.7Low71.3Confident156 Ų15689.9 Ų89.983%0.83445%0.451SS*.G310 helixtrans-863.9179.7-55-37.4000114.4K169 F173K169-D171 PolarHBondContact O-N 3.44Å; K169-D171 VanDerWaalsContact O-N 3.16Å; D171-F173 VanDerWaalsContact C-N 3.26Å; D171-F173 PolarHBondContact O-N 3.25Å
172A62.8Low70.8Confident51 Ų5191.2 Ų91.242%0.42145%0.451SS..G310 helixtrans-72.5-16.5-176.300000114.1I165 K169 P170I165-A172 HydrophobicContact CG2-CB 4.03Å; K169-A172 HydrophobicContact CB-CB 3.7Å; K169-A172 WeakPolarHBondContact O-CB 3.35Å; K169-A172 PolarHBondContact O-N 2.9Å; P170-A172 VanDerWaalsContact C-N 3.34Å; P170-A172 PolarHBondContact O-N 3.25Å
173F64.4Low70.7Confident54 Ų5494.3 Ų94.324%0.23747%0.467CS..SBendtrans-123.8128.9-176.8-63.2-75000110.9I162 I165 D171 I178I162-F173 HydrophobicContact CD1-CE1 4.45Å; I162-F173 HydrophobicContact CD1-CZ 3.84Å; I165-F173 HydrophobicContact CB-CE2 4.02Å; I165-F173 HydrophobicContact CB-CZ 4.34Å; I165-F173 HydrophobicContact CD1-CZ 4.33Å; I165-F173 HydrophobicContact CG2-CD2 4.37Å; I165-F173 HydrophobicContact CG2-CE2 3.39Å; I165-F173 HydrophobicContact CG2-CZ 3.77Å; D171-F173 VanDerWaalsContact C-N 3.26Å; D171-F173 PolarHBondContact O-N 3.25Å; F173-I178 HydrophobicContact CB-CB 3.88Å; F173-I178 HydrophobicContact CB-CD1 4.43Å; F173-I178 HydrophobicContact CB-CG1 4.38Å; F173-I178 HydrophobicContact CD2-CD1 4.49Å; F173-I178 HydrophobicContact CG-CB 4.47Å
174E64.7Low70.8Confident153 Ų15398.2 Ų98.272%0.71549%0.49SS*.  trans-63.2142.9164.2-67.2-179.3176.400109D176 T177 I178E174-D176 PolarHBondContact O-N 2.7Å; E174-T177 PolarHBondContact N-OG1 3.44Å; E174-T177 PolarHBondContact O-N 3.31Å; E174-T177 PolarHBondContact O-OG1 3.34Å; E174-I178 PolarHBondContact O-N 3.25Å
175R62.5Low70.9Confident184 Ų18495 Ų9569%0.69447%0.474SS*.Hα-helixtrans-50.4-29.3-173.2-75.2-170.6179.3-153.81.5114D26 I178D26-R175 IonicContact OD2-NH1 3.61Å; R175-I178 VanDerWaalsContact O-CG2 3.27Å; R175-I178 WeakPolarHBondContact O-CG2 3.32Å
176D67.6Low70.8Confident115 Ų11594.2 Ų94.262%0.61547%0.469SS*.Hα-helixtrans-77.8-39.9178.5-64.8-14.9000111.8E174 I178 I179 Y180E174-D176 PolarHBondContact O-N 2.7Å; D176-I178 PolarHBondContact O-N 3.28Å; D176-I179 PolarHBondContact O-N 3.29Å; D176-Y180 WeakPolarHBondContact O-CD2 3.27Å
177T72Confident71.1Confident65 Ų6596.3 Ų96.340%0.39948%0.478SS..Hα-helixtrans-71-29.4-178.263.20000113.4E174 I179 S181E174-T177 PolarHBondContact N-OG1 3.44Å; E174-T177 PolarHBondContact O-N 3.31Å; E174-T177 PolarHBondContact O-OG1 3.34Å; T177-I179 VanDerWaalsContact C-N 3.35Å; T177-S181 WeakPolarHBondContact O-CB 3.33Å; T177-S181 PolarHBondContact O-N 2.89Å; T177-S181 PolarHBondContact O-OG 3Å
178I72.1Confident71.7Confident55 Ų5594 Ų9428%0.28247%0.47SS..Hα-helixtrans-69-34.7178.3-163166.9000111.5F173 E174 R175 D176 S181 W182F173-I178 HydrophobicContact CB-CB 3.88Å; F173-I178 HydrophobicContact CB-CD1 4.43Å; F173-I178 HydrophobicContact CB-CG1 4.38Å; F173-I178 HydrophobicContact CD2-CD1 4.49Å; F173-I178 HydrophobicContact CG-CB 4.47Å; E174-I178 PolarHBondContact O-N 3.25Å; R175-I178 VanDerWaalsContact O-CG2 3.27Å; R175-I178 WeakPolarHBondContact O-CG2 3.32Å; D176-I178 PolarHBondContact O-N 3.28Å; I178-S181 WeakPolarHBondContact CA-OG 3.2Å; I178-S181 PolarHBondContact O-OG 3.23Å; I178-W182 WeakPolarHBondContact O-CB 3.39Å; I178-W182 PolarHBondContact O-N 3.49Å
179I71.2Confident72.1Confident112 Ų11288.6 Ų88.657%0.57444%0.442SS*.Hα-helixtrans-67.8-47.7179.5-63.5170.4000110.4D176 T177 W182 L183D176-I179 PolarHBondContact O-N 3.29Å; T177-I179 VanDerWaalsContact C-N 3.35Å; I179-W182 PolarHBondContact O-N 3.36Å; I179-L183 WeakPolarHBondContact O-CB 3.28Å; I179-L183 PolarHBondContact O-N 2.9Å
180Y74.1Confident72.4Confident164 Ų16489.2 Ų89.264%0.64344%0.441SS*.Hα-helixtrans-64.6-42.3178-64.8-67.7000112.1D176 L183 L184D176-Y180 WeakPolarHBondContact O-CD2 3.27Å; Y180-L183 PolarHBondContact O-N 3.43Å; Y180-L184 WeakPolarHBondContact O-CB 3.25Å; Y180-L184 VanDerWaalsContact O-CG 3.27Å; Y180-L184 WeakPolarHBondContact O-CG 3.47Å; Y180-L184 PolarHBondContact O-N 3.21Å
181S74.4Confident73.2Confident22 Ų2286.5 Ų86.515%0.15442%0.424CS..Hα-helixtrans-65.8-41.1178.259.60000111.9T177 I178 L184 C185T177-S181 WeakPolarHBondContact O-CB 3.33Å; T177-S181 PolarHBondContact O-N 2.89Å; T177-S181 PolarHBondContact O-OG 3Å; I178-S181 WeakPolarHBondContact CA-OG 3.2Å; I178-S181 PolarHBondContact O-OG 3.23Å; S181-L184 PolarHBondContact O-N 2.95Å; S181-C185 WeakPolarHBondContact O-CB 3.44Å; S181-C185 PolarHBondContact O-N 2.92Å; S181-C185 PolarHBondContact O-SG 3.42Å
182W74.1Confident73.9Confident111 Ų11179.8 Ų79.842%0.4239%0.39SS..Hα-helixtrans-60.5-47.9173.1-177.9-101.4000111.9I178 I179 L184 C185 Q186I178-W182 WeakPolarHBondContact O-CB 3.39Å; I178-W182 PolarHBondContact O-N 3.49Å; I179-W182 PolarHBondContact O-N 3.36Å; W182-L184 VanDerWaalsContact C-N 3.35Å; W182-L184 PolarHBondContact O-N 3.25Å; W182-C185 WeakPolarHBondContact O-CB 3.35Å; W182-C185 PolarHBondContact O-N 3.42Å; W182-C185 VanDerWaalsContact O-N 3.15Å; W182-Q186 HydrophobicContact CD2-CG 4.41Å; W182-Q186 HydrophobicContact CG-CG 4.45Å; W182-Q186 HydrophobicContact CZ2-CG 4.5Å; W182-Q186 WeakPolarHBondContact O-CG 3.45Å; W182-Q186 PolarHBondContact O-N 3.07Å
183L75.1Confident74.9Confident89 Ų8982.2 Ų82.247%0.46640%0.4SS..Hα-helixtrans-58.7-45.9177.8-17865.5000111.5I179 Y180 C185 Q186 L187I179-L183 WeakPolarHBondContact O-CB 3.28Å; I179-L183 PolarHBondContact O-N 2.9Å; Y180-L183 PolarHBondContact O-N 3.43Å; L183-C185 VanDerWaalsContact C-N 3.31Å; L183-C185 PolarHBondContact O-N 3.27Å; L183-Q186 PolarHBondContact O-N 3.06Å; L183-L187 HydrophobicContact CD1-CD1 4.38Å; L183-L187 HydrophobicContact CD1-CG 4.37Å; L183-L187 HydrophobicContact CG-CD1 4.01Å; L183-L187 HydrophobicContact CG-CG 4.42Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.49Å
184L78.1Confident75.8Confident118 Ų11883 Ų8362%0.61841%0.411SS*.Hα-helixtrans-61.6-39.9176.7-71.6172.1000112Y180 S181 W182 S188Y180-L184 WeakPolarHBondContact O-CB 3.25Å; Y180-L184 VanDerWaalsContact O-CG 3.27Å; Y180-L184 WeakPolarHBondContact O-CG 3.47Å; Y180-L184 PolarHBondContact O-N 3.21Å; S181-L184 PolarHBondContact O-N 2.95Å; W182-L184 VanDerWaalsContact C-N 3.35Å; W182-L184 PolarHBondContact O-N 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.05Å
185C79.6Confident76.8Confident6 Ų678.3 Ų78.34%0.04139%0.388CS..Hα-helixtrans-64.8-43.1176-70.60000112.2P158 R159 I162 S181 W182 L183 S188 A189P158-C185 VanDerWaalsContact C-SG 3.52Å; R159-C185 HydrophobicContact CB-CB 4.02Å; I162-C185 WeakPolarHBondContact CG1-SG 3.37Å; S181-C185 WeakPolarHBondContact O-CB 3.44Å; S181-C185 PolarHBondContact O-N 2.92Å; S181-C185 PolarHBondContact O-SG 3.42Å; W182-C185 WeakPolarHBondContact O-CB 3.35Å; W182-C185 PolarHBondContact O-N 3.42Å; W182-C185 VanDerWaalsContact O-N 3.15Å; L183-C185 VanDerWaalsContact C-N 3.31Å; L183-C185 PolarHBondContact O-N 3.27Å; C185-S188 WeakPolarHBondContact O-CB 3.25Å; C185-S188 PolarHBondContact O-N 3.47Å; C185-A189 PolarHBondContact O-N 3.21Å
186Q75.5Confident77.8Confident44 Ų4472.6 Ų72.621%0.20637%0.371CS..Hα-helixtrans-67-43.4177.6-66.1-685300111.6W182 L183 S188 A189 W190W182-Q186 HydrophobicContact CD2-CG 4.41Å; W182-Q186 HydrophobicContact CG-CG 4.45Å; W182-Q186 HydrophobicContact CZ2-CG 4.5Å; W182-Q186 WeakPolarHBondContact O-CG 3.45Å; W182-Q186 PolarHBondContact O-N 3.07Å; L183-Q186 PolarHBondContact O-N 3.06Å; Q186-S188 VanDerWaalsContact C-N 3.31Å; Q186-S188 PolarHBondContact O-N 3.2Å; Q186-A189 PolarHBondContact O-N 3.43Å; Q186-W190 HydrophobicContact CB-CH2 4.43Å; Q186-W190 HydrophobicContact CB-CZ2 4.16Å; Q186-W190 WeakPolarHBondContact O-CB 3.36Å; Q186-W190 PolarHBondContact O-N 3.43Å
187L77.4Confident78.7Confident85 Ų8570.3 Ų70.345%0.44536%0.362SS..Hα-helixtrans-59.9-42.5174-72172.7000111.5L183 W190 S191L183-L187 HydrophobicContact CD1-CD1 4.38Å; L183-L187 HydrophobicContact CD1-CG 4.37Å; L183-L187 HydrophobicContact CG-CD1 4.01Å; L183-L187 HydrophobicContact CG-CG 4.42Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.49Å; L187-W190 HydrophobicContact CD2-CE3 4.18Å; L187-W190 HydrophobicContact CD2-CZ3 4.44Å; L187-W190 PolarHBondContact O-N 2.95Å; L187-S191 VanDerWaalsContact O-CB 3.29Å; L187-S191 WeakPolarHBondContact O-CB 3.43Å; L187-S191 PolarHBondContact O-N 2.93Å; L187-S191 PolarHBondContact O-OG 3.29Å
188S79.9Confident79.3Confident28 Ų2872.1 Ų72.120%0.19637%0.368CS..Hα-helixtrans-58.8-49.6174.5-176.20000111.1S155 L184 C185 Q186 W190 S191S155-S188 WeakPolarHBondContact CA-OG 3.21Å; S155-S188 WeakPolarHBondContact O-CB 3.16Å; S155-S188 PolarHBondContact O-OG 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.05Å; C185-S188 WeakPolarHBondContact O-CB 3.25Å; C185-S188 PolarHBondContact O-N 3.47Å; Q186-S188 VanDerWaalsContact C-N 3.31Å; Q186-S188 PolarHBondContact O-N 3.2Å; S188-W190 PolarHBondContact O-N 3.28Å; S188-S191 PolarHBondContact O-N 3.29Å; S188-S191 PolarHBondContact O-OG 3.37Å
189A80Confident80Confident14 Ų1469.7 Ų69.712%0.11636%0.356CS..Hα-helixtrans-62.1-42.917800000112.8C185 Q186 S191 A192C185-A189 PolarHBondContact O-N 3.21Å; Q186-A189 PolarHBondContact O-N 3.43Å; A189-S191 VanDerWaalsContact C-N 3.33Å; A189-S191 PolarHBondContact O-N 3.31Å; A189-A192 WeakPolarHBondContact O-CB 3.27Å; A189-A192 PolarHBondContact O-N 2.82Å
190W79.1Confident80.7Confident156 Ų15669.2 Ų69.259%0.59135%0.348SS*.Hα-helixtrans-68-33.7178.4-62.9-15.2000112.5Q186 L187 S188 A192 T193Q186-W190 HydrophobicContact CB-CH2 4.43Å; Q186-W190 HydrophobicContact CB-CZ2 4.16Å; Q186-W190 WeakPolarHBondContact O-CB 3.36Å; Q186-W190 PolarHBondContact O-N 3.43Å; L187-W190 HydrophobicContact CD2-CE3 4.18Å; L187-W190 HydrophobicContact CD2-CZ3 4.44Å; L187-W190 PolarHBondContact O-N 2.95Å; S188-W190 PolarHBondContact O-N 3.28Å; W190-A192 PolarHBondContact O-N 2.92Å; W190-A192 VanDerWaalsContact O-N 3.13Å; W190-T193 PolarHBondContact O-N 2.96Å; W190-T193 VanDerWaalsContact O-N 3.17Å; W190-T193 PolarHBondContact O-OG1 3.45Å
191S84.1Confident81.2Confident34 Ų3465 Ų6524%0.23834%0.335CS..Hα-helixtrans-64.3-14.9176.477.30000113.5L187 S188 A189 T193 C194 Y195L187-S191 VanDerWaalsContact O-CB 3.29Å; L187-S191 WeakPolarHBondContact O-CB 3.43Å; L187-S191 PolarHBondContact O-N 2.93Å; L187-S191 PolarHBondContact O-OG 3.29Å; S188-S191 PolarHBondContact O-N 3.29Å; S188-S191 PolarHBondContact O-OG 3.37Å; A189-S191 VanDerWaalsContact C-N 3.33Å; A189-S191 PolarHBondContact O-N 3.31Å; S191-T193 PolarHBondContact O-N 3.27Å; S191-T193 VanDerWaalsContact O-N 3.12Å; S191-C194 WeakPolarHBondContact O-CB 3.25Å; S191-C194 PolarHBondContact O-N 2.88Å; S191-Y195 PolarHBondContact OG-OH 2.86Å
192A83.5Confident81.6Confident15 Ų1572.1 Ų72.112%0.12436%0.359CS..Hα-helixtrans-56.5-27.4172.200000113.2Y152 A189 W190 C194 Y195Y152-A192 HydrophobicContact CD2-CB 4.36Å; A189-A192 WeakPolarHBondContact O-CB 3.27Å; A189-A192 PolarHBondContact O-N 2.82Å; W190-A192 PolarHBondContact O-N 2.92Å; W190-A192 VanDerWaalsContact O-N 3.13Å; A192-C194 VanDerWaalsContact C-N 3.32Å; A192-C194 PolarHBondContact O-N 2.98Å; A192-Y195 VanDerWaalsContact CA-CD2 3.49Å; A192-Y195 HydrophobicContact CB-CD2 4.33Å; A192-Y195 HydrophobicContact CB-CE2 4.32Å
193T83.2Confident81.8Confident102 Ų10268.1 Ų68.163%0.62635%0.345SS*.Hα-helixtrans-67.1-32.4175.261.50000112.6W190 S191W190-T193 PolarHBondContact O-N 2.96Å; W190-T193 VanDerWaalsContact O-N 3.17Å; W190-T193 PolarHBondContact O-OG1 3.45Å; S191-T193 PolarHBondContact O-N 3.27Å; S191-T193 VanDerWaalsContact O-N 3.12Å
194C84.2Confident82.1Confident70 Ų7064.8 Ų64.847%0.47333%0.33SS..Hα-helixtrans-77.6-26.5-177.9-56.30000112.9S191 A192 N196 P197 I198S191-C194 WeakPolarHBondContact O-CB 3.25Å; S191-C194 PolarHBondContact O-N 2.88Å; A192-C194 VanDerWaalsContact C-N 3.32Å; A192-C194 PolarHBondContact O-N 2.98Å; C194-N196 VanDerWaalsContact C-N 3.3Å; C194-N196 PolarHBondContact O-N 3.48Å; C194-P197 WeakPolarHBondContact O-CD 3.29Å; C194-I198 WeakPolarHBondContact O-CD1 3.39Å; C194-I198 WeakPolarHBondContact O-CG1 3.48Å
195Y84.8Confident81.8Confident56 Ų5664.4 Ų64.422%0.2232%0.32CS..Hα-helixtrans-65.8-32.8-176.8-56.6-29.5000113L151 S191 A192 I198 V199L151-Y195 HydrophobicContact CB-CD2 3.63Å; L151-Y195 HydrophobicContact CB-CE2 4.12Å; L151-Y195 HydrophobicContact CB-CG 4.16Å; L151-Y195 HydrophobicContact CD1-CD2 4.45Å; L151-Y195 HydrophobicContact CD1-CG 4.14Å; S191-Y195 PolarHBondContact OG-OH 2.86Å; A192-Y195 VanDerWaalsContact CA-CD2 3.49Å; A192-Y195 HydrophobicContact CB-CD2 4.33Å; A192-Y195 HydrophobicContact CB-CE2 4.32Å; Y195-I198 PolarHBondContact O-N 2.75Å; Y195-V199 VanDerWaalsContact O-CG2 3.3Å; Y195-V199 WeakPolarHBondContact O-CG2 3Å; Y195-V199 PolarHBondContact O-N 3.43Å
196N84.3Confident81.6Confident64 Ų6468.4 Ų68.434%0.34234%0.344SS..Hα-helixtrans-57-63.1-177-65.9-46.5000111V148 C194 I198 V199 Y200V148-N196 WeakPolarHBondContact CG1-OD1 3.2Å; C194-N196 VanDerWaalsContact C-N 3.3Å; C194-N196 PolarHBondContact O-N 3.48Å; N196-I198 VanDerWaalsContact C-N 3.28Å; N196-I198 PolarHBondContact O-N 3Å; N196-V199 PolarHBondContact O-N 2.83Å; N196-Y200 HydrophobicContact CB-CE2 4.26Å; N196-Y200 WeakPolarHBondContact O-CD2 3.1Å; N196-Y200 PolarHBondContact O-N 2.93Å
197P85.5Confident81.8Confident66 Ų6670.1 Ų70.143%0.42935%0.351SS..Hα-helixtrans-53.1-42176.4-25.732.2000113.9C194 V199 Y200 I201C194-P197 WeakPolarHBondContact O-CD 3.29Å; P197-V199 PolarHBondContact O-N 3.39Å; P197-Y200 PolarHBondContact O-N 3.01Å; P197-I201 VanDerWaalsContact O-CG1 3.22Å; P197-I201 WeakPolarHBondContact O-CG1 3.43Å; P197-I201 PolarHBondContact O-N 2.93Å
198I85.1Confident82Confident103 Ų10370.9 Ų70.953%0.52835%0.348SS..Hα-helixtrans-61.7-47.7-177.6-64.7169.7000110.7C194 Y195 N196 Y200 I201 W202C194-I198 WeakPolarHBondContact O-CD1 3.39Å; C194-I198 WeakPolarHBondContact O-CG1 3.48Å; Y195-I198 PolarHBondContact O-N 2.75Å; N196-I198 VanDerWaalsContact C-N 3.28Å; N196-I198 PolarHBondContact O-N 3Å; I198-Y200 VanDerWaalsContact C-N 3.3Å; I198-Y200 PolarHBondContact O-N 2.87Å; I198-I201 PolarHBondContact O-N 3.23Å; I198-W202 WeakPolarHBondContact O-CB 3.46Å; I198-W202 PolarHBondContact O-N 2.99Å
199V87.6Confident81.8Confident4 Ų475.1 Ų75.12%0.02436%0.36CS..Hα-helixtrans-63.7-39.2177.61760000110.7M144 I147 V148 L151 Y195 N196 P197 W202 M203M144-V199 HydrophobicContact CB-CG1 4.38Å; M144-V199 HydrophobicContact CE-CG1 4.39Å; I147-V199 HydrophobicContact CB-CG1 4.46Å; I147-V199 HydrophobicContact CG2-CG1 4.23Å; I147-V199 HydrophobicContact CG2-CG2 3.86Å; V148-V199 HydrophobicContact CG2-CB 3.89Å; V148-V199 HydrophobicContact CG2-CG1 3.76Å; V148-V199 HydrophobicContact CG2-CG2 4.06Å; L151-V199 HydrophobicContact CD1-CG2 3.69Å; Y195-V199 VanDerWaalsContact O-CG2 3.3Å; Y195-V199 WeakPolarHBondContact O-CG2 3Å; Y195-V199 PolarHBondContact O-N 3.43Å; N196-V199 PolarHBondContact O-N 2.83Å; P197-V199 PolarHBondContact O-N 3.39Å; V199-W202 PolarHBondContact O-N 3.16Å; V199-M203 WeakPolarHBondContact O-CB 3.01Å; V199-M203 PolarHBondContact O-N 3.29Å
200Y85.2Confident81.8Confident102 Ų10278.1 Ų78.140%0.437%0.372SS..Hα-helixtrans-64-44.5176-71.3-67.3000112.6M144 N196 P197 I198 S204M144-Y200 HydrophobicContact CE-CD1 3.53Å; M144-Y200 HydrophobicContact CE-CE1 4.09Å; M144-Y200 HydrophobicContact CE-CG 4.28Å; N196-Y200 HydrophobicContact CB-CE2 4.26Å; N196-Y200 WeakPolarHBondContact O-CD2 3.1Å; N196-Y200 PolarHBondContact O-N 2.93Å; P197-Y200 PolarHBondContact O-N 3.01Å; I198-Y200 VanDerWaalsContact C-N 3.3Å; I198-Y200 PolarHBondContact O-N 2.87Å; Y200-S204 WeakPolarHBondContact O-CA 3.45Å; Y200-S204 WeakPolarHBondContact O-CB 3.41Å; Y200-S204 PolarHBondContact O-N 3.37Å
201I84.1Confident81.9Confident76 Ų7672.7 Ų72.739%0.3935%0.354SS..Hα-helixtrans-64.2-42.1176.9-66.5165.1000110.7P197 I198 F207 R208 L211P197-I201 VanDerWaalsContact O-CG1 3.22Å; P197-I201 WeakPolarHBondContact O-CG1 3.43Å; P197-I201 PolarHBondContact O-N 2.93Å; I198-I201 PolarHBondContact O-N 3.23Å; I201-F207 HydrophobicContact CD1-CE1 4.49Å; I201-F207 HydrophobicContact CG1-CD1 3.89Å; I201-F207 HydrophobicContact CG1-CE1 3.69Å; I201-R208 HydrophobicContact CG2-CG 4.49Å; I201-R208 WeakPolarHBondContact O-CD 3.37Å; I201-R208 WeakPolarHBondContact O-CG 3.29Å; I201-R208 PolarHBondContact O-NH1 3.17Å; I201-R208 VanDerWaalsContact O-NH1 3.11Å; I201-L211 HydrophobicContact CD1-CD1 4.22Å; I201-L211 HydrophobicContact CG1-CD1 3.75Å
202W83.3Confident81.7Confident172 Ų17273.9 Ų73.965%0.65236%0.362SS*.Hα-helixtrans-70.5-40.7-176.9-173.540.5000112.6I198 V199 R208I198-W202 WeakPolarHBondContact O-CB 3.46Å; I198-W202 PolarHBondContact O-N 2.99Å; V199-W202 PolarHBondContact O-N 3.16Å; W202-R208 PolarHBondContact O-NH1 3.13Å
203M79Confident81.4Confident27 Ų2777.6 Ų77.613%0.13338%0.377CS..Hα-helixtrans-109.3-33.1-171.5-65.6-148.416900115.3K140 M144 I147 V199 R205K140-M203 WeakPolarHBondContact CE-O 3.47Å; K140-M203 PolarHBondContact NZ-O 2.92Å; M144-M203 HydrophobicContact CE-CB 3.71Å; M144-M203 HydrophobicContact CG-CB 3.46Å; M144-M203 VanDerWaalsContact CG-CB 3.46Å; M144-M203 HydrophobicContact CG-CG 4.25Å; M144-M203 HydrophobicContact CG-SD 3.98Å; M144-M203 HydrophobicContact SD-CB 3.58Å; M144-M203 VanDerWaalsContact SD-CB 3.58Å; I147-M203 HydrophobicContact CD1-CE 3.07Å; I147-M203 HydrophobicContact CD1-SD 3.46Å; I147-M203 WeakPolarHBondContact CD1-SD 3.24Å; V199-M203 WeakPolarHBondContact O-CB 3.01Å; V199-M203 PolarHBondContact O-N 3.29Å; M203-R205 PolarHBondContact O-N 3.11Å
204S80.3Confident81.3Confident19 Ų1977.2 Ų77.213%0.13337%0.37CS..  trans-83.6105.2-180-177.30000110.8Y200 T206 F207 R208Y200-S204 WeakPolarHBondContact O-CA 3.45Å; Y200-S204 WeakPolarHBondContact O-CB 3.41Å; Y200-S204 PolarHBondContact O-N 3.37Å; S204-T206 VanDerWaalsContact C-N 3.28Å; S204-T206 PolarHBondContact O-N 3.33Å; S204-F207 PolarHBondContact O-N 3.37Å; S204-F207 WeakPolarHBondContact OG-CB 3.32Å; S204-F207 PolarHBondContact OG-N 2.71Å; S204-F207 VanDerWaalsContact OG-N 3.14Å; S204-R208 PolarHBondContact O-N 2.86Å
205R72.3Confident81Confident109 Ų10980.2 Ų80.241%0.41138%0.375SS..Hα-helixtrans-66.2-34.1174.4-71179.8-165.6-13417.1111.4M203 R208 R209 Y300M203-R205 PolarHBondContact O-N 3.11Å; R205-R208 PolarHBondContact O-N 2.98Å; R205-R209 PolarHBondContact O-N 3.5Å; R205-Y300 VanDerWaalsContact CZ-CB 3.49Å; R205-Y300 VanDerWaalsContact NH1-CG 3.26Å
206T76.2Confident80.4Confident90 Ų9081.1 Ų81.155%0.55238%0.384SS*.Hα-helixtrans-58.4-52.9172.7-470000109.1S204 R208 R209 E210S204-T206 VanDerWaalsContact C-N 3.28Å; S204-T206 PolarHBondContact O-N 3.33Å; T206-R208 VanDerWaalsContact C-N 3.34Å; T206-R208 PolarHBondContact O-N 2.77Å; T206-R209 PolarHBondContact O-N 2.94Å; T206-E210 WeakPolarHBondContact O-CG 3.24Å; T206-E210 PolarHBondContact O-N 3.35Å
207F78.3Confident79.5Confident80 Ų8082 Ų8235%0.35139%0.389SS..Hα-helixtrans-58.8-43.8179.9-166-105.3000112.4I201 S204 R209 E210 L211I201-F207 HydrophobicContact CD1-CE1 4.49Å; I201-F207 HydrophobicContact CG1-CD1 3.89Å; I201-F207 HydrophobicContact CG1-CE1 3.69Å; S204-F207 PolarHBondContact O-N 3.37Å; S204-F207 WeakPolarHBondContact OG-CB 3.32Å; S204-F207 PolarHBondContact OG-N 2.71Å; S204-F207 VanDerWaalsContact OG-N 3.14Å; F207-R209 VanDerWaalsContact C-N 3.34Å; F207-R209 PolarHBondContact O-N 3.12Å; F207-E210 PolarHBondContact O-N 3.39Å; F207-L211 HydrophobicContact CD1-CD1 3.56Å; F207-L211 HydrophobicContact CD1-CG 4.03Å; F207-L211 HydrophobicContact CE1-CD1 3.32Å; F207-L211 HydrophobicContact CE1-CD2 4.32Å; F207-L211 HydrophobicContact CE1-CG 3.83Å; F207-L211 HydrophobicContact CZ-CD1 4.15Å; F207-L211 HydrophobicContact CZ-CD2 4.36Å; F207-L211 HydrophobicContact CZ-CG 4.25Å; F207-L211 WeakPolarHBondContact O-CB 3.39Å; F207-L211 WeakPolarHBondContact O-CG 3.34Å; F207-L211 PolarHBondContact O-N 3.32Å
208R81.7Confident78.6Confident102 Ų10285.1 Ų85.139%0.38540%0.401SS..Hα-helixtrans-61.2-38.8175.1-73.3-158.8-65.4-118.911.9113.9I201 W202 S204 R205 T206 S212I201-R208 HydrophobicContact CG2-CG 4.49Å; I201-R208 WeakPolarHBondContact O-CD 3.37Å; I201-R208 WeakPolarHBondContact O-CG 3.29Å; I201-R208 PolarHBondContact O-NH1 3.17Å; I201-R208 VanDerWaalsContact O-NH1 3.11Å; W202-R208 PolarHBondContact O-NH1 3.13Å; S204-R208 PolarHBondContact O-N 2.86Å; R205-R208 PolarHBondContact O-N 2.98Å; T206-R208 VanDerWaalsContact C-N 3.34Å; T206-R208 PolarHBondContact O-N 2.77Å; R208-S212 VanDerWaalsContact O-CB 3.27Å; R208-S212 WeakPolarHBondContact O-CB 3.47Å; R208-S212 PolarHBondContact O-N 2.82Å
209R76.4Confident77.4Confident117 Ų11783.3 Ų83.344%0.44240%0.397SS..Hα-helixtrans-66.5-48.7178.5-173.9-173.664.7-174.60110.1R205 T206 F207 L211 S212 E213R205-R209 PolarHBondContact O-N 3.5Å; T206-R209 PolarHBondContact O-N 2.94Å; F207-R209 VanDerWaalsContact C-N 3.34Å; F207-R209 PolarHBondContact O-N 3.12Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 3.25Å; R209-S212 WeakPolarHBondContact O-CB 3.33Å; R209-S212 PolarHBondContact O-N 2.96Å; R209-S212 VanDerWaalsContact O-N 3.14Å; R209-E213 IonicContact NE-OE1 3.91Å; R209-E213 WeakPolarHBondContact O-CG 3.44Å; R209-E213 PolarHBondContact O-N 3.44Å
210E79.5Confident75.9Confident77 Ų7792.3 Ų92.336%0.3644%0.436SS..Hα-helixtrans-61.3-41.4177.3-53.4-51.1128.400111.1T206 F207 E213 I214T206-E210 WeakPolarHBondContact O-CG 3.24Å; T206-E210 PolarHBondContact O-N 3.35Å; F207-E210 PolarHBondContact O-N 3.39Å; E210-E213 PolarHBondContact O-N 3.22Å; E210-I214 VanDerWaalsContact O-CG1 3.31Å; E210-I214 WeakPolarHBondContact O-CG1 3.39Å; E210-I214 PolarHBondContact O-N 2.92Å
211L81.8Confident74.5Confident41 Ų4192.4 Ų92.422%0.21545%0.451CS..Hα-helixtrans-61.9-44.1173.1-78.9-178.6000112.3I201 F207 R209 E213 I214 F215I201-L211 HydrophobicContact CD1-CD1 4.22Å; I201-L211 HydrophobicContact CG1-CD1 3.75Å; F207-L211 HydrophobicContact CD1-CD1 3.56Å; F207-L211 HydrophobicContact CD1-CG 4.03Å; F207-L211 HydrophobicContact CE1-CD1 3.32Å; F207-L211 HydrophobicContact CE1-CD2 4.32Å; F207-L211 HydrophobicContact CE1-CG 3.83Å; F207-L211 HydrophobicContact CZ-CD1 4.15Å; F207-L211 HydrophobicContact CZ-CD2 4.36Å; F207-L211 HydrophobicContact CZ-CG 4.25Å; F207-L211 WeakPolarHBondContact O-CB 3.39Å; F207-L211 WeakPolarHBondContact O-CG 3.34Å; F207-L211 PolarHBondContact O-N 3.32Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 3.25Å; L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.49Å; L211-I214 PolarHBondContact O-N 3.04Å; L211-F215 HydrophobicContact CB-CD2 4.35Å; L211-F215 HydrophobicContact CB-CE2 4.39Å; L211-F215 HydrophobicContact CD2-CE2 4.43Å; L211-F215 WeakPolarHBondContact O-CD2 3.47Å; L211-F215 PolarHBondContact O-N 3.22Å
212S79.1Confident73Confident60 Ų6089.7 Ų89.742%0.4244%0.438SS..Hα-helixtrans-61.8-39.4177.1-175.80000111.4R208 R209 F215 N216R208-S212 VanDerWaalsContact O-CB 3.27Å; R208-S212 WeakPolarHBondContact O-CB 3.47Å; R208-S212 PolarHBondContact O-N 2.82Å; R209-S212 WeakPolarHBondContact O-CB 3.33Å; R209-S212 PolarHBondContact O-N 2.96Å; R209-S212 VanDerWaalsContact O-N 3.14Å; S212-F215 PolarHBondContact O-N 3.2Å; S212-N216 WeakPolarHBondContact O-CB 3.44Å; S212-N216 PolarHBondContact O-N 3.41Å; S212-N216 PolarHBondContact O-ND2 2.89Å; S212-N216 PolarHBondContact OG-ND2 3.26Å
213E78Confident71.2Confident92 Ų9285.9 Ų85.943%0.4343%0.431SS..Hα-helixtrans-62.6-43.1173.4-71.4176.5-158.500111.7R209 E210 L211 N216 N217R209-E213 IonicContact NE-OE1 3.91Å; R209-E213 WeakPolarHBondContact O-CG 3.44Å; R209-E213 PolarHBondContact O-N 3.44Å; E210-E213 PolarHBondContact O-N 3.22Å; L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.49Å; E213-N216 PolarHBondContact O-N 2.87Å; E213-N217 WeakPolarHBondContact O-CB 3.38Å; E213-N217 PolarHBondContact O-N 3.27Å; E213-N217 PolarHBondContact O-ND2 3.22Å; E213-N217 PolarHBondContact O-OD1 2.99Å
214I80.1Confident69.8Low94 Ų9490 Ų9048%0.48246%0.457SS..Hα-helixtrans-62.3-48.9174.5-66164.1000111E210 L211 N216 N217 L218E210-I214 VanDerWaalsContact O-CG1 3.31Å; E210-I214 WeakPolarHBondContact O-CG1 3.39Å; E210-I214 PolarHBondContact O-N 2.92Å; L211-I214 PolarHBondContact O-N 3.04Å; I214-N216 VanDerWaalsContact C-N 3.34Å; I214-N216 PolarHBondContact O-N 3.04Å; I214-N217 PolarHBondContact O-N 3.48Å; I214-L218 HydrophobicContact CG2-CD1 3.92Å; I214-L218 WeakPolarHBondContact O-CG 3.49Å; I214-L218 PolarHBondContact O-N 3.02Å
215F77.8Confident68.4Low134 Ų13494.3 Ų94.359%0.58848%0.475SS*.Hα-helixtrans-64.9-37179.6-79.5-64.8000112.7L211 S212 L218 C219L211-F215 HydrophobicContact CB-CD2 4.35Å; L211-F215 HydrophobicContact CB-CE2 4.39Å; L211-F215 HydrophobicContact CD2-CE2 4.43Å; L211-F215 WeakPolarHBondContact O-CD2 3.47Å; L211-F215 PolarHBondContact O-N 3.22Å; S212-F215 PolarHBondContact O-N 3.2Å; F215-L218 PolarHBondContact O-N 3.21Å; F215-C219 PolarHBondContact O-N 3.19Å
216N72.7Confident67.3Low74 Ų7492 Ų9240%0.39647%0.471SS..Hα-helixtrans-64.6-44.3173.5-73.8-27.9000110.4S212 E213 I214 L218 C219 S222S212-N216 WeakPolarHBondContact O-CB 3.44Å; S212-N216 PolarHBondContact O-N 3.41Å; S212-N216 PolarHBondContact O-ND2 2.89Å; S212-N216 PolarHBondContact OG-ND2 3.26Å; E213-N216 PolarHBondContact O-N 2.87Å; I214-N216 VanDerWaalsContact C-N 3.34Å; I214-N216 PolarHBondContact O-N 3.04Å; N216-L218 VanDerWaalsContact C-N 3.27Å; N216-L218 PolarHBondContact O-N 2.65Å; N216-C219 WeakPolarHBondContact O-CB 3.09Å; N216-C219 PolarHBondContact O-N 3.42Å; N216-C219 VanDerWaalsContact O-N 3.11Å; N216-S222 WeakPolarHBondContact O-CB 3.35Å
217N64.4Low66Low83 Ų8392.2 Ų92.244%0.44447%0.472SS..Hα-helixtrans-66.9-26.4178.4-66.9-16.4000113.4E213 I214 N226E213-N217 WeakPolarHBondContact O-CB 3.38Å; E213-N217 PolarHBondContact O-N 3.27Å; E213-N217 PolarHBondContact O-ND2 3.22Å; E213-N217 PolarHBondContact O-OD1 2.99Å; I214-N217 PolarHBondContact O-N 3.48Å; N217-N226 PolarHBondContact OD1-ND2 3.23Å
218L68.6Low64.5Low132 Ų13292 Ų9269%0.69148%0.477SS*.Hα-helixtrans-77.6-21.2173.4-70.8167000113I214 F215 N216 F220I214-L218 HydrophobicContact CG2-CD1 3.92Å; I214-L218 WeakPolarHBondContact O-CG 3.49Å; I214-L218 PolarHBondContact O-N 3.02Å; F215-L218 PolarHBondContact O-N 3.21Å; N216-L218 VanDerWaalsContact C-N 3.27Å; N216-L218 PolarHBondContact O-N 2.65Å; L218-F220 PolarHBondContact O-N 3.4Å
219C59.5Low63.1Low64 Ų6493 Ų9343%0.43249%0.486SS..SBendtrans-80.9117.6173.6-172.70000110.1F215 N216 C221 S222F215-C219 PolarHBondContact O-N 3.19Å; N216-C219 WeakPolarHBondContact O-CB 3.09Å; N216-C219 PolarHBondContact O-N 3.42Å; N216-C219 VanDerWaalsContact O-N 3.11Å; C219-C221 PolarHBondContact O-N 3.05Å; C219-S222 PolarHBondContact O-N 3.34Å
220F55.2Low61.9Low193 Ų19396.1 Ų96.185%0.84650%0.499SS*.THydrogen-bonded Turntrans-56.8-21.8-178-147.4-97.8000113.4L218L218-F220 PolarHBondContact O-N 3.4Å
221C56.9Low60.2Low105 Ų10596 Ų9671%0.70950%0.504SS*.THydrogen-bonded Turntrans-77-19.1176.9-59.10000114.4C219C219-C221 PolarHBondContact O-N 3.05Å
222S50.8Low58.8Low18 Ų1898.5 Ų98.513%0.12651%0.513CS..THydrogen-bonded Turntrans-84.7-21.5-173-161.10000114.3N216 C219 V224 H225 N226N216-S222 WeakPolarHBondContact O-CB 3.35Å; C219-S222 PolarHBondContact O-N 3.34Å; S222-V224 PolarHBondContact O-N 3.47Å; S222-V224 VanDerWaalsContact O-N 3.15Å; S222-H225 PolarHBondContact O-N 2.95Å; S222-N226 PolarHBondContact O-N 3.37Å; S222-N226 VanDerWaalsContact O-N 3.11Å
223N46.2Very low57.7Low93 Ų93102.6 Ų102.650%0.49752%0.523SS..Hα-helixtrans-60.9-26.7178.8-83.7-36.7000112.9T227N223-T227 PolarHBondContact O-OG1 2.98Å
224V49.6Very low56.6Low113 Ų113104.7 Ų104.769%0.68553%0.533SS*.Hα-helixtrans-71.3-34.2172.7179.70000111.4S222S222-V224 PolarHBondContact O-N 3.47Å; S222-V224 VanDerWaalsContact O-N 3.15Å
225H50.7Low55Low109 Ų109104.5 Ų104.551%0.50554%0.539SS..Hα-helixtrans-81.2-36.2-175.2-127-73.8000113.3S222 T227 T228 Q229S222-H225 PolarHBondContact O-N 2.95Å; H225-T227 VanDerWaalsContact C-N 3.32Å; H225-T227 PolarHBondContact O-N 3.46Å; H225-T228 PolarHBondContact O-N 3.34Å; H225-T228 PolarHBondContact O-OG1 2.84Å; H225-Q229 PolarHBondContact O-N 3.42Å
226N49.2Very low53.9Low61 Ų61102.6 Ų102.633%0.32654%0.535SS..Hα-helixtrans-63.4-35.7178.9-77.6-15.9000112.9N217 S222 T228 Q229 Y230N217-N226 PolarHBondContact OD1-ND2 3.23Å; S222-N226 PolarHBondContact O-N 3.37Å; S222-N226 VanDerWaalsContact O-N 3.11Å; N226-T228 VanDerWaalsContact C-N 3.3Å; N226-T228 PolarHBondContact O-N 3.42Å; N226-Q229 PolarHBondContact O-N 3.47Å; N226-Y230 PolarHBondContact O-N 2.86Å; N226-Y230 VanDerWaalsContact O-N 3.15Å
227T49.1Very low52.8Low95 Ų95106.6 Ų106.658%0.58355%0.549SS*.Hα-helixtrans-63.9-35.5176.2-500000111.9N223 H225 T231N223-T227 PolarHBondContact O-OG1 2.98Å; H225-T227 VanDerWaalsContact C-N 3.32Å; H225-T227 PolarHBondContact O-N 3.46Å; T227-T231 WeakPolarHBondContact O-CG2 3.41Å; T227-T231 PolarHBondContact O-N 3.45Å; T227-T231 PolarHBondContact O-OG1 3.48Å
228T47.6Very low52.2Low74 Ų74108.4 Ų108.445%0.45455%0.554SS.*Hα-helixtrans-75.1-30177.466.90000113.4H225 N226 T231 F232H225-T228 PolarHBondContact O-N 3.34Å; H225-T228 PolarHBondContact O-OG1 2.84Å; N226-T228 VanDerWaalsContact C-N 3.3Å; N226-T228 PolarHBondContact O-N 3.42Å; T228-T231 WeakPolarHBondContact CA-OG1 3.3Å; T228-T231 PolarHBondContact O-OG1 3.03Å; T228-F232 WeakPolarHBondContact O-CB 3.22Å; T228-F232 PolarHBondContact O-N 3.49Å; T228-F232 VanDerWaalsContact O-N 3.14Å
229Q52.3Low51Low124 Ų124108.8 Ų108.858%0.57955%0.547SS*.Hα-helixtrans-74.4-37.8176-74.4-165.52.700112.8H225 N226 F232 K233H225-Q229 PolarHBondContact O-N 3.42Å; N226-Q229 PolarHBondContact O-N 3.47Å; Q229-F232 PolarHBondContact O-N 2.95Å; Q229-K233 PolarHBondContact O-N 2.93Å
230Y49.7Very low50.7Low183 Ų183108.2 Ų108.272%0.71854%0.544SS*.Hα-helixtrans-66.5-44.1179.6-136.8-83.9000111.4N226 F232 K233 Q234N226-Y230 PolarHBondContact O-N 2.86Å; N226-Y230 VanDerWaalsContact O-N 3.15Å; Y230-F232 PolarHBondContact O-N 2.93Å; Y230-K233 PolarHBondContact O-N 3.42Å; Y230-Q234 WeakPolarHBondContact O-CB 3.17Å; Y230-Q234 PolarHBondContact O-N 3.15Å; Y230-Q234 VanDerWaalsContact O-N 3.1Å
231T44.7Very low50.2Low73 Ų73108.8 Ų108.845%0.44854%0.541SS..Hα-helixtrans-62.6-40.1173.947.30000111.9T227 T228 Q234 C235T227-T231 WeakPolarHBondContact O-CG2 3.41Å; T227-T231 PolarHBondContact O-N 3.45Å; T227-T231 PolarHBondContact O-OG1 3.48Å; T228-T231 WeakPolarHBondContact CA-OG1 3.3Å; T228-T231 PolarHBondContact O-OG1 3.03Å; T231-Q234 PolarHBondContact O-N 2.84Å; T231-C235 PolarHBondContact O-N 2.89Å; T231-C235 PolarHBondContact O-SG 2.79Å
232F53.3Low49.7Very low94 Ų94110.3 Ų110.341%0.41254%0.536SS..Hα-helixtrans-62.3-47.3175.6-170.9-97000112.7T228 Q229 Y230 Q234 C235 D236T228-F232 WeakPolarHBondContact O-CB 3.22Å; T228-F232 PolarHBondContact O-N 3.49Å; T228-F232 VanDerWaalsContact O-N 3.14Å; Q229-F232 PolarHBondContact O-N 2.95Å; Y230-F232 PolarHBondContact O-N 2.93Å; F232-Q234 VanDerWaalsContact C-N 3.26Å; F232-Q234 PolarHBondContact O-N 3.47Å; F232-C235 PolarHBondContact O-N 3.42Å; F232-D236 WeakPolarHBondContact O-CB 2.89Å; F232-D236 PolarHBondContact O-N 2.97Å
233K55Low49.4Very low147 Ų147113.4 Ų113.464%0.63955%0.551SS**Hα-helixtrans-60.1-36176-98.8-179.8178.31720112.6Q229 Y230 K237Q229-K233 PolarHBondContact O-N 2.93Å; Y230-K233 PolarHBondContact O-N 3.42Å; K233-K237 WeakPolarHBondContact O-CB 3.38Å; K233-K237 PolarHBondContact O-N 3.4Å; K233-K237 VanDerWaalsContact O-N 3.12Å
234Q55.8Low49.1Very low136 Ų136117.4 Ų117.464%0.63656%0.56SS**Hα-helixtrans-72.8-41-179.7-157.91626.400111.6Y230 T231 F232 H238Y230-Q234 WeakPolarHBondContact O-CB 3.17Å; Y230-Q234 PolarHBondContact O-N 3.15Å; Y230-Q234 VanDerWaalsContact O-N 3.1Å; T231-Q234 PolarHBondContact O-N 2.84Å; F232-Q234 VanDerWaalsContact C-N 3.26Å; F232-Q234 PolarHBondContact O-N 3.47Å; Q234-H238 WeakPolarHBondContact O-CB 3.35Å; Q234-H238 PolarHBondContact O-N 3.45Å; Q234-H238 VanDerWaalsContact O-N 3.07Å
235C45.6Very low48.8Very low89 Ų89119.1 Ų119.160%0.60157%0.565SS**Hα-helixtrans-63.4-43.1172.8-74.90000112.4T231 F232 K237 H238 Y239T231-C235 PolarHBondContact O-N 2.89Å; T231-C235 PolarHBondContact O-SG 2.79Å; F232-C235 PolarHBondContact O-N 3.42Å; C235-K237 PolarHBondContact O-N 3.22Å; C235-H238 PolarHBondContact O-N 2.68Å; C235-H238 VanDerWaalsContact O-N 3.15Å; C235-Y239 PolarHBondContact O-N 3.48Å
236D54.2Low48.2Very low94 Ų94122.4 Ų122.450%0.50357%0.574SS.*Hα-helixtrans-65.8-40.5-179-146.97.1000111.4F232 H238 Y239 S240F232-D236 WeakPolarHBondContact O-CB 2.89Å; F232-D236 PolarHBondContact O-N 2.97Å; D236-H238 VanDerWaalsContact C-N 3.3Å; D236-H238 PolarHBondContact O-N 3.3Å; D236-Y239 PolarHBondContact O-N 3.1Å; D236-S240 WeakPolarHBondContact O-CB 3.32Å; D236-S240 PolarHBondContact O-N 2.91Å
237K50.2Low47.7Very low159 Ų159127.1 Ų127.169%0.69160%0.599SS**Hα-helixtrans-65.2-33.4174-154.6173.8-171.7179.10112.1K233 C235 R241K233-K237 WeakPolarHBondContact O-CB 3.38Å; K233-K237 PolarHBondContact O-N 3.4Å; K233-K237 VanDerWaalsContact O-N 3.12Å; C235-K237 PolarHBondContact O-N 3.22Å; K237-R241 PolarHBondContact O-N 3.49Å
238H51Low47.1Very low120 Ų120127.2 Ų127.256%0.55660%0.604SS**Hα-helixtrans-75.1-34.4176.7-156.2-61.4000112.6Q234 C235 D236 K242Q234-H238 WeakPolarHBondContact O-CB 3.35Å; Q234-H238 PolarHBondContact O-N 3.45Å; Q234-H238 VanDerWaalsContact O-N 3.07Å; C235-H238 PolarHBondContact O-N 2.68Å; C235-H238 VanDerWaalsContact O-N 3.15Å; D236-H238 VanDerWaalsContact C-N 3.3Å; D236-H238 PolarHBondContact O-N 3.3Å; H238-K242 PolarHBondContact O-N 2.96Å
239Y45.1Very low46.7Very low140 Ų140132.5 Ų132.555%0.54962%0.62SS.*Hα-helixtrans-72.1-42.9176.5-161.1-100.5000111.5C235 D236 R241 K242 N243C235-Y239 PolarHBondContact O-N 3.48Å; D236-Y239 PolarHBondContact O-N 3.1Å; Y239-R241 PolarHBondContact O-N 3.09Å; Y239-K242 PolarHBondContact O-N 2.71Å; Y239-N243 WeakPolarHBondContact CE1-ND2 3.2Å; Y239-N243 PolarHBondContact O-N 2.93Å
240S52Low46.2Very low53 Ų53134.2 Ų134.237%0.37163%0.628SS.*Hα-helixtrans-64.2-36.9177.3-169.10000112.6D236 Y244D236-S240 WeakPolarHBondContact O-CB 3.32Å; D236-S240 PolarHBondContact O-N 2.91Å; S240-Y244 VanDerWaalsContact O-CD2 3.22Å; S240-Y244 WeakPolarHBondContact O-CD2 3.45Å
241R46.1Very low45.8Very low204 Ų204131.3 Ų131.377%0.7763%0.625SS**Hα-helixtrans-68.8-32176-109.6-179.8177.3172.6-2.3114.1K237 Y239K237-R241 PolarHBondContact O-N 3.49Å; Y239-R241 PolarHBondContact O-N 3.09Å
242K44.8Very low46.1Very low138 Ų138134 Ų13460%0.663%0.632SS**Hα-helixtrans-79.7-27-179.7-90.7-173.5170.4-179.40113.5H238 Y239 Y244 L245H238-K242 PolarHBondContact O-N 2.96Å; Y239-K242 PolarHBondContact O-N 2.71Å; K242-Y244 VanDerWaalsContact C-N 3.3Å; K242-Y244 PolarHBondContact O-N 2.95Å; K242-L245 PolarHBondContact O-N 3.26Å
243N44.6Very low45.7Very low83 Ų83134.8 Ų134.844%0.44464%0.641SS.*Hα-helixtrans-71.8-16.5-178.3-88.6-11.9000115.2Y239 L245Y239-N243 WeakPolarHBondContact CE1-ND2 3.2Å; Y239-N243 PolarHBondContact O-N 2.93Å; N243-L245 PolarHBondContact O-N 2.9Å
244Y40.7Very low45.6Very low176 Ų176134 Ų13469%0.6964%0.642SS**THydrogen-bonded Turntrans-75.3-12.2172.9-71.7-80.7000113.7S240 K242S240-Y244 VanDerWaalsContact O-CD2 3.22Å; S240-Y244 WeakPolarHBondContact O-CD2 3.45Å; K242-Y244 VanDerWaalsContact C-N 3.3Å; K242-Y244 PolarHBondContact O-N 2.95Å
245L43.4Very low45.1Very low150 Ų150130.5 Ų130.579%0.78563%0.632SS**SBendtrans-112.1-0.8-174.5-87.2152.3000114.5K242 N243K242-L245 PolarHBondContact O-N 3.26Å; N243-L245 PolarHBondContact O-N 2.9Å
246Y38.5Very low45.4Very low177 Ų177130.6 Ų130.669%0.69463%0.627SS**  trans-13625.9-171.3-112-94.1000115.2S248Y246-S248 PolarHBondContact O-N 3.5Å
247N37.1Very low45.4Very low161 Ų161134.6 Ų134.686%0.86164%0.635SS**THydrogen-bonded Turntrans-7733.9-174.6-127.912.4000114.8
248S38.3Very low45.6Very low97 Ų97132.8 Ų132.868%0.67863%0.629SS**THydrogen-bonded Turntrans-121.8-18.3-173.7179.60000117.6Y246Y246-S248 PolarHBondContact O-N 3.5Å
249K39.1Very low45.8Very low185 Ų185131.6 Ų131.680%0.80463%0.626SS**SBendtrans-164.420.1-167.6-116.6156.2-170.5-177.90121.5
250H41Very low46.2Very low159 Ų159131.2 Ų131.274%0.73663%0.629SS**  trans-115.8133-178.4-81.5-70.6000116.5H252H250-H252 PolarHBondContact O-N 3.2Å
251N40.8Very low46.2Very low123 Ų123131.6 Ų131.666%0.65863%0.632SS**  trans-53.6114.7-173.2-132.1-20.7000113.3N253N251-N253 PolarHBondContact O-N 3.43Å; N251-N253 VanDerWaalsContact O-N 3.1Å
252H51.3Low46.5Very low130 Ų130125.8 Ų125.860%0.60261%0.613SS**THydrogen-bonded Turntrans-57.5-23.2-179.3-94.4-102.1000114.6H250 L254 C255 D256H250-H252 PolarHBondContact O-N 3.2Å; H252-L254 VanDerWaalsContact C-N 3.29Å; H252-L254 PolarHBondContact O-N 3.2Å; H252-C255 PolarHBondContact O-N 3.13Å; H252-C255 VanDerWaalsContact O-N 3.14Å; H252-D256 PolarHBondContact O-N 3.21Å
253N46.2Very low46.6Very low109 Ų109122.9 Ų122.958%0.58361%0.605SS**Hα-helixtrans-69.2-17.5-172-66.8-11000115.5N251N251-N253 PolarHBondContact O-N 3.43Å; N251-N253 VanDerWaalsContact O-N 3.1Å
254L51Low46.6Very low130 Ų130127.5 Ų127.568%0.68162%0.623SS**Hα-helixtrans-86.9-25.6175.1-82.6156.9000112.3H252 H258H252-L254 VanDerWaalsContact C-N 3.29Å; H252-L254 PolarHBondContact O-N 3.2Å; L254-H258 PolarHBondContact O-N 2.87Å
255C46.6Very low46.7Very low63 Ų63129.7 Ų129.743%0.42663%0.63SS.*Hα-helixtrans-77.4-39-178.8-148.50000111.5H252 R257 H258 L259H252-C255 PolarHBondContact O-N 3.13Å; H252-C255 VanDerWaalsContact O-N 3.14Å; C255-R257 PolarHBondContact O-N 3.22Å; C255-H258 PolarHBondContact O-N 3.02Å; C255-L259 PolarHBondContact O-N 3.39Å
256D51.7Low46.5Very low91 Ų91128.8 Ų128.849%0.48762%0.617SS.*Hα-helixtrans-65.1-38.9178.6-78.6-22.6000112.9H252 H258 L259 Q260H252-D256 PolarHBondContact O-N 3.21Å; D256-H258 VanDerWaalsContact C-N 3.35Å; D256-H258 PolarHBondContact O-N 3.36Å; D256-L259 PolarHBondContact O-N 3.37Å; D256-Q260 WeakPolarHBondContact O-CB 3.37Å; D256-Q260 PolarHBondContact O-N 3.03Å
257R53.2Low46.2Very low178 Ų178131.6 Ų131.667%0.67263%0.628SS**Hα-helixtrans-67.1-35175.4-89.1-168.7-82.1178.6-7.9112.7C255 S261C255-R257 PolarHBondContact O-N 3.22Å; R257-S261 WeakPolarHBondContact O-CB 3.32Å; R257-S261 PolarHBondContact O-N 2.79Å; R257-S261 VanDerWaalsContact O-N 3.12Å
258H54.6Low46.2Very low122 Ų122130.8 Ų130.857%0.56562%0.617SS**Hα-helixtrans-69.3-42.5175.9-168.175.4000111.3L254 C255 D256 S261 H262L254-H258 PolarHBondContact O-N 2.87Å; C255-H258 PolarHBondContact O-N 3.02Å; D256-H258 VanDerWaalsContact C-N 3.35Å; D256-H258 PolarHBondContact O-N 3.36Å; H258-S261 PolarHBondContact O-N 3.29Å; H258-S261 PolarHBondContact O-OG 2.86Å; H258-H262 AromaticContact NE2-CD2 3.88Å; H258-H262 PolarHBondContact O-N 3.44Å
259L55.3Low46.3Very low94 Ų94130.8 Ų130.849%0.49261%0.614SS.*Hα-helixtrans-66.8-40.6177.4-15975.4000112.4C255 D256 H262 N263C255-L259 PolarHBondContact O-N 3.39Å; D256-L259 PolarHBondContact O-N 3.37Å; L259-H262 PolarHBondContact O-N 3.25Å; L259-N263 PolarHBondContact O-N 3.06Å
260Q54.4Low46.3Very low133 Ų133129.7 Ų129.762%0.62161%0.606SS**Hα-helixtrans-62.4-41.6173.8-95.9178-21.300112.5D256 H262 N263 Q264D256-Q260 WeakPolarHBondContact O-CB 3.37Å; D256-Q260 PolarHBondContact O-N 3.03Å; Q260-H262 PolarHBondContact O-N 3.35Å; Q260-N263 PolarHBondContact O-N 3.15Å; Q260-Q264 PolarHBondContact O-N 2.82Å
261S52.7Low46.2Very low60 Ų60124.6 Ų124.642%0.4259%0.588SS.*Hα-helixtrans-63.9-28.3176.978.80000112.8R257 H258R257-S261 WeakPolarHBondContact O-CB 3.32Å; R257-S261 PolarHBondContact O-N 2.79Å; R257-S261 VanDerWaalsContact O-N 3.12Å; H258-S261 PolarHBondContact O-N 3.29Å; H258-S261 PolarHBondContact O-OG 2.86Å
262H51.5Low46Very low82 Ų82126.6 Ų126.638%0.3859%0.591SS.*Hα-helixtrans-82.1-33177.9-107.6-77.4000113.1H258 L259 Q260 Q264 R265H258-H262 AromaticContact NE2-CD2 3.88Å; H258-H262 PolarHBondContact O-N 3.44Å; L259-H262 PolarHBondContact O-N 3.25Å; Q260-H262 PolarHBondContact O-N 3.35Å; H262-Q264 VanDerWaalsContact C-N 3.31Å; H262-Q264 PolarHBondContact O-N 2.91Å; H262-R265 PolarHBondContact O-N 2.89Å
263N46Very low45.5Very low78 Ų78123.3 Ų123.342%0.41759%0.587SS.*Hα-helixtrans-69.5-24178.6-78.8-17.2000113.5L259 Q260L259-N263 PolarHBondContact O-N 3.06Å; Q260-N263 PolarHBondContact O-N 3.15Å
264Q45.5Very low45.3Very low180 Ų180121.6 Ų121.684%0.84159%0.587SS**THydrogen-bonded Turntrans-78.8-15.2177.6-71.3-160.5-1300114.6Q260 H262Q260-Q264 PolarHBondContact O-N 2.82Å; H262-Q264 VanDerWaalsContact C-N 3.31Å; H262-Q264 PolarHBondContact O-N 2.91Å
265R43.7Very low44.8Very low221 Ų221118.6 Ų118.683%0.83458%0.575SS**THydrogen-bonded Turntrans-104.41.6-172.1-65-165.7-162.6-169.24.8115.8H262H262-R265 PolarHBondContact O-N 2.89Å
266R38Very low44.3Very low132 Ų132123.1 Ų123.150%0.49858%0.584SS.*  trans-129.897.2-177.4-72.2-171.8-173.7168.42.5113.1F268R266-F268 PolarHBondContact O-N 2.8Å
267Y33.2Very low43.7Very low236 Ų236124.4 Ų124.493%0.92559%0.591SS**  trans-6075.6148.4-102.8-99.1000109.3
268F36.1Very low43Very low144 Ų144121.2 Ų121.263%0.63259%0.594SS**  trans-150.5128.4166.1-97-79.2000110.2R266 Y270R266-F268 PolarHBondContact O-N 2.8Å; F268-Y270 PolarHBondContact O-N 3.25Å
269P41.2Very low42.2Very low97 Ų97121.3 Ų121.363%0.6360%0.599SS**G310 helixtrans-67.9-3.8-172.624.4-32000115.1S271P269-S271 VanDerWaalsContact C-N 3.31Å; P269-S271 PolarHBondContact O-N 2.86Å
270Y37.9Very low41.4Very low162 Ų162119.8 Ų119.864%0.63560%0.596SS**G310 helixtrans-77.8-4.1-173.7-126.3-89.1000115.6F268 S301F268-Y270 PolarHBondContact O-N 3.25Å; Y270-S301 WeakPolarHBondContact OH-CB 3.3Å; Y270-S301 PolarHBondContact OH-O 3.2Å; Y270-S301 PolarHBondContact OH-OG 3.35Å
271S40.2Very low40.8Very low51 Ų51119.2 Ų119.236%0.35761%0.607SS.*G310 helixtrans-106-5.8-176.362.50000115.3P269 A273 A274P269-S271 VanDerWaalsContact C-N 3.31Å; P269-S271 PolarHBondContact O-N 2.86Å; S271-A273 PolarHBondContact O-N 3.28Å; S271-A274 PolarHBondContact O-N 2.89Å
272K35.1Very low40.2Very low165 Ų165123 Ų12372%0.71762%0.623SS**THydrogen-bonded Turntrans-63.2-25.4-177.2-109.7179.6179.1179.10113.9T275K272-T275 PolarHBondContact O-OG1 3.43Å
273A42.3Very low39.8Very low62 Ų62122.9 Ų122.951%0.51263%0.625SS.*THydrogen-bonded Turntrans-75.7-23.9174.200000113.4S271S271-A273 PolarHBondContact O-N 3.28Å
274A41.5Very low39.6Very low72 Ų72124.7 Ų124.760%0.59564%0.635SS**THydrogen-bonded Turntrans-85-13.2-179.400000113.2S271S271-A274 PolarHBondContact O-N 2.89Å
275T41.1Very low39.9Very low67 Ų67122.3 Ų122.341%0.41163%0.626SS.*THydrogen-bonded Turntrans-921.9-17942.50000114.7K272 N277K272-T275 PolarHBondContact O-OG1 3.43Å; T275-N277 VanDerWaalsContact C-N 3.33Å; T275-N277 PolarHBondContact O-N 3.37Å
276Y35.4Very low40.1Very low158 Ų158115.7 Ų115.762%0.6261%0.614SS**  trans-74.294169.8-85.4-83.9000109.7C278Y276-C278 PolarHBondContact O-N 3.15Å; Y276-C278 VanDerWaalsContact O-N 3.11Å
277N38.4Very low40.6Very low118 Ų118114.4 Ų114.463%0.63161%0.614SS**  trans-52109.9174.9-1694.6000110T275 N279T275-N277 VanDerWaalsContact C-N 3.33Å; T275-N277 PolarHBondContact O-N 3.37Å; N277-N279 PolarHBondContact O-N 2.96Å; N277-N279 WeakPolarHBondContact OD1-CB 3.14Å
278C39.8Very low41.5Very low111 Ų111106.3 Ų106.375%0.7559%0.589SS**THydrogen-bonded Turntrans-71.614.2-179.6-130.90000113.3Y276Y276-C278 PolarHBondContact O-N 3.15Å; Y276-C278 VanDerWaalsContact O-N 3.11Å
279N36.6Very low42Very low125 Ų125105.9 Ų105.967%0.66859%0.586SS**THydrogen-bonded Turntrans-106.916.6-174.7-72.9-12.7000114.7N277N277-N279 PolarHBondContact O-N 2.96Å; N277-N279 WeakPolarHBondContact OD1-CB 3.14Å
280S38.3Very low42Very low61 Ų61104 Ų10443%0.42758%0.576SS.*  trans-106.597.4171.5-175.10000110.6N282 N283S280-N282 PolarHBondContact O-N 2.91Å; S280-N283 WeakPolarHBondContact CB-OD1 3.42Å; S280-N283 PolarHBondContact OG-OD1 3.41Å
281S41.5Very low42.5Very low122 Ų12298.3 Ų98.385%0.85356%0.557SS**THydrogen-bonded Turntrans-61.313.5171.9-175.50000114.4
282N40.4Very low42.9Very low139 Ų139100.7 Ų100.774%0.74356%0.563SS**THydrogen-bonded Turntrans-133.316.1-170.5-80.7-18.4000114.5S280 N284S280-N282 PolarHBondContact O-N 2.91Å; N282-N284 PolarHBondContact O-N 2.67Å
283N42.9Very low43.3Very low80 Ų8099.6 Ų99.643%0.42856%0.561SS.*  trans-83107.1-177.4-67.3-0.8000111.2S280S280-N283 WeakPolarHBondContact CB-OD1 3.42Å; S280-N283 PolarHBondContact OG-OD1 3.41Å
284N42.4Very low43.2Very low116 Ų116103.6 Ų103.662%0.6257%0.568SS**  trans-50.5137174.1-71.5-31.4000111.6N282 S286 Q287N282-N284 PolarHBondContact O-N 2.67Å; N284-S286 PolarHBondContact O-N 3.11Å; N284-Q287 PolarHBondContact O-N 3.17Å
285I51.7Low43.1Very low130 Ų130103 Ų10367%0.66755%0.554SS**Hα-helixtrans-49.1-24.7179-67.5167.6000113V288 K289I285-V288 PolarHBondContact O-N 3.3Å; I285-K289 PolarHBondContact O-N 3.27Å
286S47.9Very low43.1Very low82 Ų82103.4 Ų103.457%0.57356%0.557SS**Hα-helixtrans-65.7-35.6174.946.60000114.3N284 V288 K289 S290N284-S286 PolarHBondContact O-N 3.11Å; S286-V288 VanDerWaalsContact C-N 3.35Å; S286-K289 PolarHBondContact O-N 3.11Å; S286-S290 PolarHBondContact O-N 3.07Å
287Q49.4Very low43.1Very low105 Ų105102.7 Ų102.749%0.49156%0.563SS.*Hα-helixtrans-72.8-29.5176.9-71.7-174.6-8.300112.2N284 S290 V291N284-Q287 PolarHBondContact O-N 3.17Å; Q287-S290 PolarHBondContact O-OG 3.48Å; Q287-S290 VanDerWaalsContact O-OG 3.06Å; Q287-V291 VanDerWaalsContact O-CG2 3.25Å; Q287-V291 WeakPolarHBondContact O-CG2 3.4Å; Q287-V291 PolarHBondContact O-N 3.25Å
288V51Low43.3Very low66 Ų66104.1 Ų104.140%0.457%0.567SS.*Hα-helixtrans-68.3-39.6175.2-179.30000110.6I285 S286 V291 E292I285-V288 PolarHBondContact O-N 3.3Å; S286-V288 VanDerWaalsContact C-N 3.35Å; V288-V291 PolarHBondContact O-N 3.07Å; V288-E292 PolarHBondContact O-N 3.14Å
289K46.3Very low43.3Very low134 Ų134101.3 Ų101.358%0.58354%0.542SS*.Hα-helixtrans-66.3-40.5177-77.8-174.5175.2-175.50113.6I285 S286 V291 E292 E293I285-K289 PolarHBondContact O-N 3.27Å; S286-K289 PolarHBondContact O-N 3.11Å; K289-V291 VanDerWaalsContact C-N 3.25Å; K289-V291 PolarHBondContact O-N 3.25Å; K289-E292 PolarHBondContact O-N 3.24Å; K289-E293 PolarHBondContact O-N 2.9Å
290S42.9Very low43.4Very low58 Ų58102.2 Ų102.241%0.40654%0.537SS..Hα-helixtrans-67-30.5177.167.30000112.3S286 Q287 H294S286-S290 PolarHBondContact O-N 3.07Å; Q287-S290 PolarHBondContact O-OG 3.48Å; Q287-S290 VanDerWaalsContact O-OG 3.06Å; S290-H294 PolarHBondContact O-N 3.18Å; S290-H294 VanDerWaalsContact O-N 3.13Å
291V47.9Very low43.2Very low42 Ų42102 Ų10226%0.25554%0.536SS..Hα-helixtrans-74.1-37.8174.7172.80000110.8Q287 V288 K289 H294 I295Q287-V291 VanDerWaalsContact O-CG2 3.25Å; Q287-V291 WeakPolarHBondContact O-CG2 3.4Å; Q287-V291 PolarHBondContact O-N 3.25Å; V288-V291 PolarHBondContact O-N 3.07Å; K289-V291 VanDerWaalsContact C-N 3.25Å; K289-V291 PolarHBondContact O-N 3.25Å; V291-H294 PolarHBondContact O-N 2.89Å; V291-I295 HydrophobicContact CG1-CD1 3.55Å; V291-I295 HydrophobicContact CG1-CG1 4.24Å; V291-I295 WeakPolarHBondContact O-CB 3.43Å; V291-I295 WeakPolarHBondContact O-CD1 3.45Å; V291-I295 WeakPolarHBondContact O-CG1 3.48Å; V291-I295 PolarHBondContact O-N 3.17Å
292E47.9Very low43.4Very low102 Ų10298.2 Ų98.248%0.47751%0.509SS..Hα-helixtrans-59.6-45.4171.3-83-176.5146.600112V288 K289 I295 V296V288-E292 PolarHBondContact O-N 3.14Å; K289-E292 PolarHBondContact O-N 3.24Å; E292-I295 PolarHBondContact O-N 3.46Å; E292-V296 WeakPolarHBondContact O-CB 3.48Å; E292-V296 WeakPolarHBondContact O-CG2 3.45Å; E292-V296 PolarHBondContact O-N 2.84Å
293E43.8Very low43.4Very low142 Ų14297.3 Ų97.366%0.66451%0.509SS*.Hα-helixtrans-64.1-44.8177.5-78.7178165.800112.5K289 I295 V296 D297K289-E293 PolarHBondContact O-N 2.9Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.28Å; E293-V296 WeakPolarHBondContact O-CB 3.27Å; E293-V296 PolarHBondContact O-N 3.4Å; E293-D297 PolarHBondContact O-N 2.87Å
294H40.3Very low43.4Very low146 Ų14698 Ų9868%0.67651%0.513SS*.Hα-helixtrans-66.1-32177.6-107.5-66.5000113.3S290 V291S290-H294 PolarHBondContact O-N 3.18Å; S290-H294 VanDerWaalsContact O-N 3.13Å; V291-H294 PolarHBondContact O-N 2.89Å
295I40.1Very low43.4Very low58 Ų5895 Ų9530%0.29750%0.499SS..Hα-helixtrans-71.1-38.2174.7-71168.6000110.3V291 E292 E293 D297 E298 E299V291-I295 HydrophobicContact CG1-CD1 3.55Å; V291-I295 HydrophobicContact CG1-CG1 4.24Å; V291-I295 WeakPolarHBondContact O-CB 3.43Å; V291-I295 WeakPolarHBondContact O-CD1 3.45Å; V291-I295 WeakPolarHBondContact O-CG1 3.48Å; V291-I295 PolarHBondContact O-N 3.17Å; E292-I295 PolarHBondContact O-N 3.46Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.28Å; I295-D297 VanDerWaalsContact C-N 3.29Å; I295-D297 PolarHBondContact O-N 2.73Å; I295-E298 PolarHBondContact O-N 3.38Å; I295-E299 VanDerWaalsContact O-CB 3.23Å; I295-E299 WeakPolarHBondContact O-CB 3.19Å; I295-E299 PolarHBondContact O-N 3.13Å
296V40.9Very low42.8Very low76 Ų7692.8 Ų92.846%0.46149%0.486SS..Hα-helixtrans-61.2-34.1179169.60000112.2E292 E293 E299E292-V296 WeakPolarHBondContact O-CB 3.48Å; E292-V296 WeakPolarHBondContact O-CG2 3.45Å; E292-V296 PolarHBondContact O-N 2.84Å; E293-V296 WeakPolarHBondContact O-CB 3.27Å; E293-V296 PolarHBondContact O-N 3.4Å; V296-E299 WeakPolarHBondContact CG2-OE2 3.22Å; V296-E299 WeakPolarHBondContact O-CB 3.3Å; V296-E299 PolarHBondContact O-N 2.96Å
297D35.6Very low42.5Very low143 Ų14394.7 Ų94.777%0.76548%0.481SS*.Hα-helixtrans-76.8-27178.5-72.7-26000113.6E293 I295E293-D297 PolarHBondContact O-N 2.87Å; I295-D297 VanDerWaalsContact C-N 3.29Å; I295-D297 PolarHBondContact O-N 2.73Å
298E42.1Very low42.3Very low149 Ų14994.8 Ų94.870%0.69648%0.48SS*.Hα-helixtrans-88.2-2.4170.7-77.9-173.2145.600113.1I295 Y300I295-E298 PolarHBondContact O-N 3.38Å; E298-Y300 PolarHBondContact O-N 3.32Å
299E38.9Very low42Very low52 Ų5296.2 Ų96.224%0.24348%0.478CS..THydrogen-bonded Turntrans-79.365-164.8-148.9169-151.600114.8I295 V296 R309I295-E299 VanDerWaalsContact O-CB 3.23Å; I295-E299 WeakPolarHBondContact O-CB 3.19Å; I295-E299 PolarHBondContact O-N 3.13Å; V296-E299 WeakPolarHBondContact CG2-OE2 3.22Å; V296-E299 WeakPolarHBondContact O-CB 3.3Å; V296-E299 PolarHBondContact O-N 2.96Å; E299-R309 VanDerWaalsContact CD-NH2 3.26Å; E299-R309 IonicContact OE1-CZ 3.15Å; E299-R309 IonicContact OE1-NE 2.72Å; E299-R309 PolarHBondContact OE1-NE 3.39Å; E299-R309 IonicContact OE1-NH2 2.82Å; E299-R309 PolarHBondContact OE1-NH2 3.41Å; E299-R309 IonicContact OE2-CZ 3.91Å; E299-R309 IonicContact OE2-NH2 2.93Å; E299-R309 PolarHBondContact OE2-NH2 2.95Å
300Y38.5Very low42Very low143 Ų14395.7 Ų95.756%0.56148%0.479SS*.THydrogen-bonded Turntrans-147.813.6173.4-115-79.5000116R205 E298R205-Y300 VanDerWaalsContact CZ-CB 3.49Å; R205-Y300 VanDerWaalsContact NH1-CG 3.26Å; E298-Y300 PolarHBondContact O-N 3.32Å
301S35.3Very low42.4Very low57 Ų5798.2 Ų98.240%0.39948%0.483SS..SBendtrans-120.1112.2-179.6-174.90000112.6Y270Y270-S301 WeakPolarHBondContact OH-CB 3.3Å; Y270-S301 PolarHBondContact OH-O 3.2Å; Y270-S301 PolarHBondContact OH-OG 3.35Å
302S44.6Very low42.8Very low42 Ų4299.4 Ų99.429%0.29449%0.487SS..  trans80.8141.9160.388.70000118.6N304 T305S302-N304 PolarHBondContact O-N 3.48Å; S302-N304 PolarHBondContact OG-N 2.89Å; S302-T305 PolarHBondContact O-N 3.45Å; S302-T305 VanDerWaalsContact O-N 3.08Å; S302-T305 PolarHBondContact O-OG1 3.33Å
303T41.6Very low42.9Very low120 Ų12099.2 Ų99.274%0.73649%0.489SS*.THydrogen-bonded Turntrans-51.8-14.3168.430.80000114.8
304N41.7Very low43.6Very low96 Ų9696.7 Ų96.751%0.51348%0.48SS..Hα-helixtrans-75.1-23.2175.9-69-19.8000113.1S302 Q306 Y307 F308S302-N304 PolarHBondContact O-N 3.48Å; S302-N304 PolarHBondContact OG-N 2.89Å; N304-Q306 VanDerWaalsContact C-N 3.33Å; N304-Y307 PolarHBondContact O-N 3Å; N304-F308 PolarHBondContact O-N 3.28Å
305T44Very low44.2Very low53 Ų5393.1 Ų93.133%0.32547%0.466SS..Hα-helixtrans-73.4-24.9175.848.70000112.5S302 Y307 F308 R309S302-T305 PolarHBondContact O-N 3.45Å; S302-T305 VanDerWaalsContact O-N 3.08Å; S302-T305 PolarHBondContact O-OG1 3.33Å; T305-Y307 VanDerWaalsContact C-N 3.34Å; T305-Y307 PolarHBondContact O-N 3.44Å; T305-F308 PolarHBondContact O-N 2.9Å; T305-R309 PolarHBondContact O-N 2.85Å
306Q39.1Very low45.1Very low82 Ų8292.8 Ų92.838%0.38347%0.467SS..Hα-helixtrans-64.2-39.5172.5-67.2-138.7-24.100112.1E133 N304 F308 R309 M310E133-Q306 PolarHBondContact OE1-NE2 2.91Å; E133-Q306 PolarHBondContact OE2-NE2 3.39Å; N304-Q306 VanDerWaalsContact C-N 3.33Å; Q306-F308 VanDerWaalsContact C-N 3.32Å; Q306-F308 PolarHBondContact O-N 3.13Å; Q306-R309 PolarHBondContact O-N 2.93Å; Q306-M310 PolarHBondContact O-N 2.9Å
307Y41Very low46Very low123 Ų12396 Ų9648%0.48248%0.475SS..Hα-helixtrans-63.2-40.3173.5-173.1-95.6000111.4N304 T305 M310 K311N304-Y307 PolarHBondContact O-N 3Å; T305-Y307 VanDerWaalsContact C-N 3.34Å; T305-Y307 PolarHBondContact O-N 3.44Å; Y307-M310 PolarHBondContact O-N 3.41Å; Y307-K311 HydrophobicContact CE1-CD 4.44Å; Y307-K311 PolarHBondContact O-N 2.97Å; Y307-K311 VanDerWaalsContact O-N 3.09Å
308F45.6Very low47Very low106 Ų10693.7 Ų93.747%0.46546%0.461SS..Hα-helixtrans-65.5-43.2175.4-108.6-82.4000112.6N304 T305 Q306 M310 K311 I312N304-F308 PolarHBondContact O-N 3.28Å; T305-F308 PolarHBondContact O-N 2.9Å; Q306-F308 VanDerWaalsContact C-N 3.32Å; Q306-F308 PolarHBondContact O-N 3.13Å; F308-M310 PolarHBondContact O-N 3.06Å; F308-K311 PolarHBondContact O-N 3.17Å; F308-I312 WeakPolarHBondContact O-CG1 3.48Å; F308-I312 PolarHBondContact O-N 3.38Å
309R43.1Very low47.9Very low97 Ų9791.3 Ų91.337%0.36645%0.452SS..Hα-helixtrans-58.5-44.8173.7-103.1-168.2-176.7-147.2-1.8112E299 T305 Q306 K311 I312 L313E299-R309 VanDerWaalsContact CD-NH2 3.26Å; E299-R309 IonicContact OE1-CZ 3.15Å; E299-R309 IonicContact OE1-NE 2.72Å; E299-R309 PolarHBondContact OE1-NE 3.39Å; E299-R309 IonicContact OE1-NH2 2.82Å; E299-R309 PolarHBondContact OE1-NH2 3.41Å; E299-R309 IonicContact OE2-CZ 3.91Å; E299-R309 IonicContact OE2-NH2 2.93Å; E299-R309 PolarHBondContact OE2-NH2 2.95Å; T305-R309 PolarHBondContact O-N 2.85Å; Q306-R309 PolarHBondContact O-N 2.93Å; R309-K311 VanDerWaalsContact C-N 3.31Å; R309-K311 PolarHBondContact O-N 2.96Å; R309-I312 PolarHBondContact O-N 3.46Å; R309-L313 WeakPolarHBondContact O-CB 3.26Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.25Å; R309-L313 PolarHBondContact O-N 3.24Å
310M48.1Very low49.1Very low122 Ų12295.8 Ų95.860%0.60147%0.471SS*.Hα-helixtrans-58.5-44.8176.5-111.1170.283.100111.4Q306 Y307 F308 L313 D314Q306-M310 PolarHBondContact O-N 2.9Å; Y307-M310 PolarHBondContact O-N 3.41Å; F308-M310 PolarHBondContact O-N 3.06Å; M310-L313 PolarHBondContact O-N 3.44Å; M310-D314 PolarHBondContact O-N 3.4Å
311K51.3Low50.4Low112 Ų11295 Ų9549%0.48747%0.474SS..Hα-helixtrans-70-36.4-178.6-154.4172.8-174.61790113.1Y307 F308 R309 N315Y307-K311 HydrophobicContact CE1-CD 4.44Å; Y307-K311 PolarHBondContact O-N 2.97Å; Y307-K311 VanDerWaalsContact O-N 3.09Å; F308-K311 PolarHBondContact O-N 3.17Å; R309-K311 VanDerWaalsContact C-N 3.31Å; R309-K311 PolarHBondContact O-N 2.96Å; K311-N315 PolarHBondContact O-N 3.14Å; K311-N315 VanDerWaalsContact O-N 3.13Å
312I55Low51.7Low66 Ų6696.4 Ų96.434%0.33848%0.477SS..Hα-helixtrans-64.2-49.3173-68.6168.9000109.4F308 R309 D314 N315 T316F308-I312 WeakPolarHBondContact O-CG1 3.48Å; F308-I312 PolarHBondContact O-N 3.38Å; R309-I312 PolarHBondContact O-N 3.46Å; I312-D314 VanDerWaalsContact C-N 3.32Å; I312-D314 PolarHBondContact O-N 3.05Å; I312-N315 WeakPolarHBondContact O-CB 3.32Å; I312-N315 PolarHBondContact O-N 3.22Å; I312-N315 VanDerWaalsContact O-N 3.07Å; I312-T316 PolarHBondContact O-N 2.64Å; I312-T316 PolarHBondContact O-OG1 3.46Å
313L50.9Low52.7Low99 Ų9998.3 Ų98.352%0.51848%0.484SS..Hα-helixtrans-58.8-40179.9-74.6166.9000113R309 M310 T316 K317R309-L313 WeakPolarHBondContact O-CB 3.26Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.25Å; R309-L313 PolarHBondContact O-N 3.24Å; M310-L313 PolarHBondContact O-N 3.44Å; L313-T316 PolarHBondContact O-N 3.1Å; L313-K317 WeakPolarHBondContact O-CG 3.41Å; L313-K317 PolarHBondContact O-N 2.99Å
314D56.8Low54.1Low88 Ų8897.5 Ų97.547%0.47148%0.475SS..Hα-helixtrans-64.4-43.7174.3-83.1-14.5000111.5M310 I312 T316 K317 I318M310-D314 PolarHBondContact O-N 3.4Å; I312-D314 VanDerWaalsContact C-N 3.32Å; I312-D314 PolarHBondContact O-N 3.05Å; D314-T316 PolarHBondContact O-N 3.02Å; D314-K317 PolarHBondContact O-N 3.38Å; D314-I318 VanDerWaalsContact O-CG1 3.32Å; D314-I318 WeakPolarHBondContact O-CG1 3.46Å; D314-I318 PolarHBondContact O-N 2.93Å
315N54.9Low55.4Low71 Ų7196.8 Ų96.838%0.3847%0.47SS..Hα-helixtrans-63-41.4175.5-77.9-5.8000112.2K311 I312 K317 I318 I319K311-N315 PolarHBondContact O-N 3.14Å; K311-N315 VanDerWaalsContact O-N 3.13Å; I312-N315 WeakPolarHBondContact O-CB 3.32Å; I312-N315 PolarHBondContact O-N 3.22Å; I312-N315 VanDerWaalsContact O-N 3.07Å; N315-K317 VanDerWaalsContact C-N 3.3Å; N315-K317 PolarHBondContact O-N 3.09Å; N315-I318 PolarHBondContact O-N 3.23Å; N315-I319 VanDerWaalsContact O-CG1 3.32Å; N315-I319 WeakPolarHBondContact O-CG1 3.11Å; N315-I319 PolarHBondContact O-N 2.9Å
316T57.5Low56.5Low51 Ų5198.4 Ų98.431%0.31348%0.477SS..Hα-helixtrans-65-35.6177.9-260000111.7I312 L313 D314 K320I312-T316 PolarHBondContact O-N 2.64Å; I312-T316 PolarHBondContact O-OG1 3.46Å; L313-T316 PolarHBondContact O-N 3.1Å; D314-T316 PolarHBondContact O-N 3.02Å; T316-K320 PolarHBondContact O-N 3.34Å; T316-K320 VanDerWaalsContact O-N 3.1Å
317K60Low57.9Low145 Ų14599.3 Ų99.363%0.6348%0.484SS*.Hα-helixtrans-65-44.5173.1-78.7179.4179.1178.60111.9L313 D314 N315 I319 K320 M321L313-K317 WeakPolarHBondContact O-CG 3.41Å; L313-K317 PolarHBondContact O-N 2.99Å; D314-K317 PolarHBondContact O-N 3.38Å; N315-K317 VanDerWaalsContact C-N 3.3Å; N315-K317 PolarHBondContact O-N 3.09Å; K317-I319 VanDerWaalsContact C-N 3.33Å; K317-I319 PolarHBondContact O-N 3Å; K317-K320 PolarHBondContact O-N 3.05Å; K317-M321 WeakPolarHBondContact O-CB 3.48Å; K317-M321 PolarHBondContact O-N 2.86Å
318I56.9Low59.3Low93 Ų93100.5 Ų100.548%0.47749%0.494SS..Hα-helixtrans-61.3-42.9177.6-67.5166.6000110.8D314 N315 M321 N322D314-I318 VanDerWaalsContact O-CG1 3.32Å; D314-I318 WeakPolarHBondContact O-CG1 3.46Å; D314-I318 PolarHBondContact O-N 2.93Å; N315-I318 PolarHBondContact O-N 3.23Å; I318-M321 PolarHBondContact O-N 3.47Å; I318-N322 PolarHBondContact O-N 3.03Å
319I60.3Low60.3Low100 Ų100101.7 Ų101.751%0.51351%0.505SS..Hα-helixtrans-63.5-43.8178.2-67.1165.5000111.2N315 K317 N322 N323N315-I319 VanDerWaalsContact O-CG1 3.32Å; N315-I319 WeakPolarHBondContact O-CG1 3.11Å; N315-I319 PolarHBondContact O-N 2.9Å; K317-I319 VanDerWaalsContact C-N 3.33Å; K317-I319 PolarHBondContact O-N 3Å; I319-N322 PolarHBondContact O-N 2.89Å; I319-N323 PolarHBondContact O-N 2.86Å
320K65.3Low61.3Low145 Ų145105.8 Ų105.863%0.6353%0.525SS*.Hα-helixtrans-60.7-46.4175.5-83.7-173.7175.6-176.60111.8T316 K317 N322 N323 D324T316-K320 PolarHBondContact O-N 3.34Å; T316-K320 VanDerWaalsContact O-N 3.1Å; K317-K320 PolarHBondContact O-N 3.05Å; K320-N322 VanDerWaalsContact C-N 3.33Å; K320-N322 PolarHBondContact O-N 2.85Å; K320-N323 PolarHBondContact O-N 3.44Å; K320-N323 VanDerWaalsContact O-N 3.16Å; K320-D324 PolarHBondContact O-N 3Å
321M64.6Low61.6Low127 Ų127109.7 Ų109.763%0.62655%0.547SS*.Hα-helixtrans-62.8-39.7-179.5-165.5172.2157.800112K317 I318 D324 I325K317-M321 WeakPolarHBondContact O-CB 3.48Å; K317-M321 PolarHBondContact O-N 2.86Å; I318-M321 PolarHBondContact O-N 3.47Å; M321-D324 PolarHBondContact O-N 3.23Å; M321-I325 HydrophobicContact CG-CD1 4.3Å; M321-I325 WeakPolarHBondContact O-CD1 3.27Å; M321-I325 VanDerWaalsContact O-CG1 3.24Å; M321-I325 WeakPolarHBondContact O-CG1 3.43Å; M321-I325 PolarHBondContact O-N 2.96Å
322N62.8Low62.1Low87 Ų87109.6 Ų109.647%0.46555%0.55SS.*Hα-helixtrans-66.7-37.9173.9-81-11.1000112.9I318 I319 K320 I325 N326I318-N322 PolarHBondContact O-N 3.03Å; I319-N322 PolarHBondContact O-N 2.89Å; K320-N322 VanDerWaalsContact C-N 3.33Å; K320-N322 PolarHBondContact O-N 2.85Å; N322-I325 PolarHBondContact O-N 3.18Å; N322-N326 WeakPolarHBondContact O-CB 3.38Å; N322-N326 VanDerWaalsContact O-CG 3.28Å; N322-N326 PolarHBondContact O-N 3.43Å; N322-N326 PolarHBondContact O-ND2 3.28Å
323N66.7Low62.5Low82 Ų82111.8 Ų111.844%0.43956%0.562SS.*Hα-helixtrans-67.3-39.1175.8-77.1-14.3000111.9I319 K320 N326 N327I319-N323 PolarHBondContact O-N 2.86Å; K320-N323 PolarHBondContact O-N 3.44Å; K320-N323 VanDerWaalsContact O-N 3.16Å; N323-N326 PolarHBondContact O-N 2.94Å; N323-N327 WeakPolarHBondContact O-CB 3.01Å; N323-N327 VanDerWaalsContact O-CG 3.27Å; N323-N327 PolarHBondContact O-N 3.21Å; N323-N327 PolarHBondContact O-ND2 3.37Å
324D69.8Low63.1Low103 Ų103112.6 Ų112.655%0.55156%0.564SS**Hα-helixtrans-65.4-42.4175.6-69.5-23000111.3K320 M321 N327 Q328K320-D324 PolarHBondContact O-N 3Å; M321-D324 PolarHBondContact O-N 3.23Å; D324-N327 PolarHBondContact O-N 3.17Å; D324-Q328 WeakPolarHBondContact O-CG 3.06Å; D324-Q328 PolarHBondContact O-N 3.21Å
325I68.9Low63.5Low80 Ų80114 Ų11441%0.4157%0.569SS.*Hα-helixtrans-62.4-43.8174.6-68.8165.4000111.2M321 N322 N327 Q328 L329M321-I325 HydrophobicContact CG-CD1 4.3Å; M321-I325 WeakPolarHBondContact O-CD1 3.27Å; M321-I325 VanDerWaalsContact O-CG1 3.24Å; M321-I325 WeakPolarHBondContact O-CG1 3.43Å; M321-I325 PolarHBondContact O-N 2.96Å; N322-I325 PolarHBondContact O-N 3.18Å; I325-N327 VanDerWaalsContact C-N 3.31Å; I325-N327 PolarHBondContact O-N 2.88Å; I325-Q328 PolarHBondContact O-N 3.47Å; I325-L329 HydrophobicContact CG2-CD1 3.87Å; I325-L329 WeakPolarHBondContact O-CG 3.42Å; I325-L329 PolarHBondContact O-N 3.07Å
326N67.2Low64.1Low87 Ų87116.7 Ų116.747%0.46558%0.581SS.*Hα-helixtrans-66.9-31.3178.5-76.7-27.3000113N322 N323 K330N322-N326 WeakPolarHBondContact O-CB 3.38Å; N322-N326 VanDerWaalsContact O-CG 3.28Å; N322-N326 PolarHBondContact O-N 3.43Å; N322-N326 PolarHBondContact O-ND2 3.28Å; N323-N326 PolarHBondContact O-N 2.94Å; N326-K330 WeakPolarHBondContact O-CG 3.32Å; N326-K330 PolarHBondContact O-N 2.79Å
327N70Confident64.5Low101 Ų101121.1 Ų121.154%0.5460%0.599SS.*Hα-helixtrans-74.1-35.4174.1-73.3-21000111.8N323 D324 I325 L329 K330N323-N327 WeakPolarHBondContact O-CB 3.01Å; N323-N327 VanDerWaalsContact O-CG 3.27Å; N323-N327 PolarHBondContact O-N 3.21Å; N323-N327 PolarHBondContact O-ND2 3.37Å; D324-N327 PolarHBondContact O-N 3.17Å; I325-N327 VanDerWaalsContact C-N 3.31Å; I325-N327 PolarHBondContact O-N 2.88Å; N327-L329 VanDerWaalsContact C-N 3.34Å; N327-K330 PolarHBondContact O-N 3.35Å
328Q69.3Low64.8Low148 Ų148119.4 Ų119.469%0.69260%0.597SS**Hα-helixtrans-67-33.6173-69.9-82.6-25.200112.2D324 I325 K330D324-Q328 WeakPolarHBondContact O-CG 3.06Å; D324-Q328 PolarHBondContact O-N 3.21Å; I325-Q328 PolarHBondContact O-N 3.47Å; Q328-K330 VanDerWaalsContact C-N 3.29Å; Q328-K330 PolarHBondContact O-N 3.16Å
329L66Low65.4Low131 Ų131121.4 Ų121.469%0.68661%0.606SS**THydrogen-bonded Turntrans-77.9-8.5176.5-75.7164.7000114.1I325 N327I325-L329 HydrophobicContact CG2-CD1 3.87Å; I325-L329 WeakPolarHBondContact O-CG 3.42Å; I325-L329 PolarHBondContact O-N 3.07Å; N327-L329 VanDerWaalsContact C-N 3.34Å
330K66.1Low65.9Low183 Ų183123.2 Ų123.280%0.79661%0.614SS**THydrogen-bonded Turntrans-103.70178.6-79.3-176.9177.6-177.80113.8N326 N327 Q328N326-K330 WeakPolarHBondContact O-CG 3.32Å; N326-K330 PolarHBondContact O-N 2.79Å; N327-K330 PolarHBondContact O-N 3.35Å; Q328-K330 VanDerWaalsContact C-N 3.29Å; Q328-K330 PolarHBondContact O-N 3.16Å
331L53.7Low65.9Low204 Ų204121.2 Ų121.2100%1.06861%0.612SS**  trans-103.60167.9-73.8164.6000108.5

Retrieved 331 of 331 residues in 248.6 ms (Link to these results)

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