A0A087WR43_MOUSE Loading...

[histone H3]-trimethyl-L-lysine(4) demethylase

AlphaFold DB , UniProt , Accession A0A087WR43, Species MOUSE (Mus musculus, Mouse), Gene Kdm5d, Length 271 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low66.1Low242 Ų242137.7 Ų137.7100%1.19277%0.767SS**  01170-78.5162.1151.600106.8
2K39.2Very low68.3Low202 Ų202136.9 Ų136.988%0.87877%0.772SS**PPolyproline II helixtrans-74.1133172.2-70.1-173175.4-178.90107.3G4K2-G4 PolarHBondContact O-N 2.72Å
3P45.7Very low70.2Confident109 Ų109140.1 Ų140.171%0.70878%0.777SS**PPolyproline II helixtrans-57.4133.5172.824.3-31000108.4
4G49.7Very low71.9Confident53 Ų53132.9 Ų132.955%0.54674%0.74SS.*PPolyproline II helixtrans-61.2140.1176.600000109.2K2 D6K2-G4 PolarHBondContact O-N 2.72Å; G4-D6 PolarHBondContact O-N 3.02Å
5S59.8Low73.4Confident121 Ų121126.7 Ų126.785%0.84671%0.708SS**THydrogen-bonded Turntrans-67.616.5-17953.50000114.9
6D62.3Low74.8Confident153 Ų153122.1 Ų122.182%0.81868%0.684SS**THydrogen-bonded Turntrans-113.613.6-172.2-73.8-20.1000112.9G4G4-D6 PolarHBondContact O-N 3.02Å
7D80.3Confident76Confident121 Ų121116.7 Ų116.765%0.64765%0.652SS**  trans-72.3129.5174.2-73.7-25.6000110.4L9D7-L9 PolarHBondContact O-N 3.26Å
8F83.5Confident77Confident165 Ų165117.4 Ų117.472%0.72465%0.649SS**  trans-60121.1178.5174.5-100.2000110.8P10F8-P10 HydrophobicContact CD1-CG 4.16Å; F8-P10 HydrophobicContact CE1-CB 4.1Å; F8-P10 HydrophobicContact CE1-CG 3.89Å; F8-P10 WeakPolarHBondContact O-CD 2.81Å
9L87.6Confident78Confident151 Ų151111.7 Ų111.779%0.79162%0.618SS**  trans-98.1113.6172-63.1179.7000109.2D7 P11D7-L9 PolarHBondContact O-N 3.26Å; L9-P11 WeakPolarHBondContact O-CD 2.99Å
10P89.9Confident78.8Confident102 Ų102109.1 Ų109.166%0.66261%0.608SS**PPolyproline II helixtrans-59.1129.4177.9-23.433.3000111.5F8F8-P10 HydrophobicContact CD1-CG 4.16Å; F8-P10 HydrophobicContact CE1-CB 4.1Å; F8-P10 HydrophobicContact CE1-CG 3.89Å; F8-P10 WeakPolarHBondContact O-CD 2.81Å
11P90.8Very high79.4Confident96 Ų96110.3 Ų110.362%0.62360%0.603SS**PPolyproline II helixtrans-63.3159.3172-22.233.8000112.3L9L9-P11 WeakPolarHBondContact O-CD 2.99Å
12P92.3Very high82Confident128 Ų128102.5 Ų102.583%0.83158%0.577SS**PPolyproline II helixtrans-61.7146.5173.127.1-34.7000111.6
13E92.7Very high84.5Confident178 Ų17895.6 Ų95.683%0.83255%0.548SS*.PPolyproline II helixtrans-69.3148.2179.5-64.4-168.5-17900112.6
14C93.8Very high86.8Confident39 Ų3992.8 Ų92.826%0.26453%0.525SS..PPolyproline II helixtrans-75.9155.4174.9730000112.1I43C14-I43 HydrophobicContact CB-CD1 4.12Å; C14-I43 HydrophobicContact CB-CG1 3.84Å
15P94.7Very high88.8Confident40 Ų40100.8 Ų100.826%0.2654%0.538SS..PPolyproline II helixtrans-63142178.926-34.2000112F17 S41 C44 K45P15-F17 HydrophobicContact CB-CE2 3.94Å; P15-F17 HydrophobicContact CB-CZ 4.04Å; P15-F17 HydrophobicContact CG-CE2 4.08Å; P15-F17 HydrophobicContact CG-CZ 4.4Å; P15-S41 VanDerWaalsContact CD-OG 3.26Å; P15-S41 WeakPolarHBondContact CD-OG 3.25Å; P15-C44 HydrophobicContact CG-CB 4.07Å; P15-K45 PolarHBondContact O-N 3.13Å
16V96Very high90.5Very high54 Ų5499.4 Ų99.433%0.32752%0.522SS..EExtended strand (participates in β ladder)trans-112.8132.3179.1-1710000109.5K45 R47V16-K45 CarbonylContact C-O 3.51Å; V16-K45 VanDerWaalsContact CA-O 3.32Å; V16-K45 WeakPolarHBondContact CA-O 3.31Å; V16-K45 HydrophobicContact CG1-CB 4.47Å; V16-K45 HydrophobicContact CG2-CB 4.32Å; V16-K45 VanDerWaalsContact CG2-CE 3.44Å; V16-R47 HydrophobicContact CG1-CG 4.11Å
17F95.1Very high92Very high30 Ų3095.8 Ų95.813%0.13251%0.507CS..EExtended strand (participates in β ladder)trans-121.5134-178.1-63.4-75.5000110.9P15 P19 Y30 I34 I37 A38 C44 K45 I46 R47P15-F17 HydrophobicContact CB-CE2 3.94Å; P15-F17 HydrophobicContact CB-CZ 4.04Å; P15-F17 HydrophobicContact CG-CE2 4.08Å; P15-F17 HydrophobicContact CG-CZ 4.4Å; F17-P19 WeakPolarHBondContact O-CD 3.39Å; F17-Y30 HydrophobicContact CB-CE1 4.22Å; F17-Y30 WeakPolarHBondContact CB-OH 3.34Å; F17-I34 HydrophobicContact CD1-CB 4.32Å; F17-I34 HydrophobicContact CD1-CG2 3.75Å; F17-I34 HydrophobicContact CD2-CB 4.35Å; F17-I34 HydrophobicContact CD2-CD1 3.84Å; F17-I34 HydrophobicContact CD2-CG2 4.41Å; F17-I34 HydrophobicContact CE1-CB 4.08Å; F17-I34 HydrophobicContact CE1-CG2 3.89Å; F17-I34 HydrophobicContact CE2-CB 4.1Å; F17-I34 HydrophobicContact CE2-CD1 4.15Å; F17-I34 HydrophobicContact CG-CB 4.45Å; F17-I34 HydrophobicContact CG-CD1 4.27Å; F17-I34 HydrophobicContact CG-CG2 4.03Å; F17-I34 HydrophobicContact CZ-CB 3.96Å; F17-I34 HydrophobicContact CZ-CG2 4.28Å; F17-I37 HydrophobicContact CE1-CD1 4.49Å; F17-I37 HydrophobicContact CZ-CB 4.13Å; F17-I37 HydrophobicContact CZ-CG2 3.94Å; F17-A38 HydrophobicContact CE2-CB 4.25Å; F17-C44 HydrophobicContact CD2-CB 4.04Å; F17-C44 HydrophobicContact CE2-CB 3.78Å; F17-K45 PolarHBondContact N-O 2.86Å; F17-I46 WeakPolarHBondContact O-CA 3.41Å; F17-R47 PolarHBondContact O-N 2.92Å
18E94.6Very high92.7Very high130 Ų13096.4 Ų96.461%0.60751%0.509SS*.  trans-120.387.7180-75.5172.9-171.300108.2R47E18-R47 HydrophobicContact CG-CB 3.84Å; E18-R47 VanDerWaalsContact OE1-CD 3.25Å; E18-R47 WeakPolarHBondContact OE1-CD 3.48Å; E18-R47 IonicContact OE1-CZ 3.4Å; E18-R47 IonicContact OE1-NE 3.78Å; E18-R47 IonicContact OE1-NH1 2.87Å; E18-R47 PolarHBondContact OE1-NH1 3.14Å
19P94.6Very high93.2Very high9 Ų990.1 Ų90.16%0.05849%0.491CS..  trans-63.6144.4178.422.7-33.9000112.3F17 E23 F24 Y30 I46 R47F17-P19 WeakPolarHBondContact O-CD 3.39Å; P19-E23 HydrophobicContact CB-CB 4.05Å; P19-F24 HydrophobicContact CB-CB 4.29Å; P19-F24 HydrophobicContact CG-CB 4.41Å; P19-F24 HydrophobicContact CG-CD2 3.88Å; P19-Y30 HydrophobicContact CB-CD1 4.25Å; P19-Y30 HydrophobicContact CB-CD2 4.24Å; P19-Y30 HydrophobicContact CB-CE1 3.84Å; P19-Y30 HydrophobicContact CB-CE2 3.79Å; P19-Y30 HydrophobicContact CB-CG 4.42Å; P19-Y30 HydrophobicContact CG-CE1 4.03Å; P19-I46 HydrophobicContact CG-CG2 3.99Å; P19-R47 WeakPolarHBondContact CD-O 3.39Å
20S93.9Very high93.5Very high58 Ų5884 Ų8441%0.40646%0.457SS..  trans-69163.5163.863.20000111.5A22 E23 F24S20-A22 PolarHBondContact O-N 3.4Å; S20-E23 PolarHBondContact N-OE2 3.27Å; S20-E23 PolarHBondContact O-N 2.71Å; S20-E23 VanDerWaalsContact O-N 3.09Å; S20-E23 WeakPolarHBondContact OG-CG 3.43Å; S20-E23 PolarHBondContact OG-N 2.72Å; S20-E23 PolarHBondContact OG-OE2 3.07Å; S20-F24 WeakPolarHBondContact O-CB 3.31Å; S20-F24 PolarHBondContact O-N 3.13Å
21W92.4Very high93.8Very high135 Ų13583.2 Ų83.251%0.51145%0.447SS..Hα-helixtrans-56.2-32.8176-89.9109.5000114.2R25 P49 D51 W52W21-R25 PolarHBondContact O-N 3.38Å; W21-P49 HydrophobicContact CD2-CB 4.27Å; W21-P49 HydrophobicContact CD2-CG 4.19Å; W21-P49 HydrophobicContact CG-CG 4.38Å; W21-P49 HydrophobicContact CZ2-CB 4.26Å; W21-D51 HydrophobicContact CZ2-CB 3.92Å; W21-W52 HydrophobicContact CH2-CB 4.32Å
22A93.3Very high94Very high79 Ų7981.8 Ų81.865%0.65344%0.442SS*.Hα-helixtrans-69.2-42177.300000111.5S20S20-A22 PolarHBondContact O-N 3.4Å
23E91.6Very high94.1Very high56 Ų5682.2 Ų82.226%0.26243%0.431SS..Hα-helixtrans-74.9-34.2178.6-69.3169.2135.400112.2P19 S20 R25 D26 Y30 K33P19-E23 HydrophobicContact CB-CB 4.05Å; S20-E23 PolarHBondContact N-OE2 3.27Å; S20-E23 PolarHBondContact O-N 2.71Å; S20-E23 VanDerWaalsContact O-N 3.09Å; S20-E23 WeakPolarHBondContact OG-CG 3.43Å; S20-E23 PolarHBondContact OG-N 2.72Å; S20-E23 PolarHBondContact OG-OE2 3.07Å; E23-R25 PolarHBondContact O-N 3.15Å; E23-D26 CarbonylContact O-C 3.56Å; E23-D26 PolarHBondContact O-N 3.42Å; E23-Y30 HydrophobicContact CB-CD2 3.63Å; E23-Y30 HydrophobicContact CB-CE2 4Å; E23-Y30 HydrophobicContact CB-CG 4.42Å; E23-Y30 HydrophobicContact CG-CD2 4.13Å; E23-Y30 HydrophobicContact CG-CE2 4.36Å; E23-K33 IonicContact OE1-NZ 2.88Å; E23-K33 PolarHBondContact OE1-NZ 3.26Å
24F93.4Very high94.2Very high51 Ų5174.1 Ų74.122%0.22439%0.394CS..Hα-helixtrans-68-20.5178.1-168.3-108.1000112.8P19 S20 D26 P48 P49 W52P19-F24 HydrophobicContact CB-CB 4.29Å; P19-F24 HydrophobicContact CG-CB 4.41Å; P19-F24 HydrophobicContact CG-CD2 3.88Å; S20-F24 WeakPolarHBondContact O-CB 3.31Å; S20-F24 PolarHBondContact O-N 3.13Å; F24-D26 VanDerWaalsContact C-N 3.34Å; F24-P48 HydrophobicContact CD2-CB 4.41Å; F24-P48 HydrophobicContact CE2-CB 3.59Å; F24-P48 HydrophobicContact CZ-CB 3.67Å; F24-P49 HydrophobicContact CB-CG 4.08Å; F24-P49 HydrophobicContact CD1-CG 4.2Å; F24-P49 HydrophobicContact CG-CG 4.01Å; F24-W52 HydrophobicContact CE1-CB 4.38Å; F24-W52 AromaticContact CE1-CD1 3.67Å; F24-W52 AromaticContact CE1-CD2 3.86Å; F24-W52 HydrophobicContact CE1-CD2 3.86Å; F24-W52 AromaticContact CE1-CE2 3.89Å; F24-W52 AromaticContact CE1-CG 3.72Å; F24-W52 HydrophobicContact CE1-CG 3.72Å; F24-W52 AromaticContact CE1-NE1 3.76Å; F24-W52 AromaticContact CZ-CD2 3.77Å; F24-W52 HydrophobicContact CZ-CD2 3.77Å; F24-W52 AromaticContact CZ-CE2 3.9Å; F24-W52 HydrophobicContact CZ-CE3 4.1Å; F24-W52 HydrophobicContact CZ-CG 4.08Å; F24-W52 HydrophobicContact CZ-CZ2 4.32Å; F24-W52 HydrophobicContact CZ-CZ3 4.49Å
25R92.9Very high94.2Very high220 Ų22079.9 Ų79.983%0.8341%0.41SS*.THydrogen-bonded Turntrans-67.6-31.8176.4-173-179.3-70.9172.2-2.4112.9W21 E23 P27W21-R25 PolarHBondContact O-N 3.38Å; E23-R25 PolarHBondContact O-N 3.15Å; R25-P27 WeakPolarHBondContact O-CD 3.47Å
26D94.6Very high94.2Very high93 Ų9382 Ų8250%0.49742%0.424SS..  trans-118.188.2175.4179.811000110.8E23 F24 L28 G29 Y30E23-D26 CarbonylContact O-C 3.56Å; E23-D26 PolarHBondContact O-N 3.42Å; F24-D26 VanDerWaalsContact C-N 3.34Å; D26-L28 VanDerWaalsContact C-N 3.31Å; D26-L28 PolarHBondContact O-N 3.48Å; D26-L28 PolarHBondContact OD1-N 3.46Å; D26-G29 PolarHBondContact O-N 2.94Å; D26-G29 PolarHBondContact OD1-N 3.43Å; D26-G29 VanDerWaalsContact OD1-N 3.09Å; D26-G29 WeakPolarHBondContact OD2-CA 3.47Å; D26-G29 PolarHBondContact OD2-N 3.06Å; D26-Y30 PolarHBondContact O-N 3.32Å
27P93.8Very high94Very high77 Ų7784.2 Ų84.250%0.543%0.433SS..Hα-helixtrans-60.1-37.8-177.8-25.234.5000113.5R25 Y30 I31R25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-Y30 PolarHBondContact O-N 2.88Å; P27-I31 WeakPolarHBondContact O-CB 3.46Å; P27-I31 WeakPolarHBondContact O-CD1 3.39Å; P27-I31 WeakPolarHBondContact O-CG1 3.47Å; P27-I31 PolarHBondContact O-N 3.01Å
28L94.6Very high94Very high134 Ų13483.4 Ų83.470%0.70243%0.431SS*.Hα-helixtrans-73.2-40.9-177.5-65-178.8000111D26 Y30 I31 A32D26-L28 VanDerWaalsContact C-N 3.31Å; D26-L28 PolarHBondContact O-N 3.48Å; D26-L28 PolarHBondContact OD1-N 3.46Å; L28-Y30 VanDerWaalsContact C-N 3.32Å; L28-Y30 PolarHBondContact O-N 3.35Å; L28-I31 PolarHBondContact O-N 3.44Å; L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 3.13Å
29G94.3Very high93.9Very high32 Ų3283 Ų8333%0.3343%0.43SS..Hα-helixtrans-59.8-42.717200000112D26 A32 K33D26-G29 PolarHBondContact O-N 2.94Å; D26-G29 PolarHBondContact OD1-N 3.43Å; D26-G29 VanDerWaalsContact OD1-N 3.09Å; D26-G29 WeakPolarHBondContact OD2-CA 3.47Å; D26-G29 PolarHBondContact OD2-N 3.06Å; G29-A32 PolarHBondContact O-N 3.13Å; G29-K33 PolarHBondContact O-N 3.06Å
30Y94.6Very high93.9Very high24 Ų2491.7 Ų91.79%0.09447%0.466CS..Hα-helixtrans-66.2-43176.1-171.4-108.4000112.9F17 P19 E23 D26 P27 L28 A32 K33 I34 I46F17-Y30 HydrophobicContact CB-CE1 4.22Å; F17-Y30 WeakPolarHBondContact CB-OH 3.34Å; P19-Y30 HydrophobicContact CB-CD1 4.25Å; P19-Y30 HydrophobicContact CB-CD2 4.24Å; P19-Y30 HydrophobicContact CB-CE1 3.84Å; P19-Y30 HydrophobicContact CB-CE2 3.79Å; P19-Y30 HydrophobicContact CB-CG 4.42Å; P19-Y30 HydrophobicContact CG-CE1 4.03Å; E23-Y30 HydrophobicContact CB-CD2 3.63Å; E23-Y30 HydrophobicContact CB-CE2 4Å; E23-Y30 HydrophobicContact CB-CG 4.42Å; E23-Y30 HydrophobicContact CG-CD2 4.13Å; E23-Y30 HydrophobicContact CG-CE2 4.36Å; D26-Y30 PolarHBondContact O-N 3.32Å; P27-Y30 PolarHBondContact O-N 2.88Å; L28-Y30 VanDerWaalsContact C-N 3.32Å; L28-Y30 PolarHBondContact O-N 3.35Å; Y30-A32 VanDerWaalsContact C-N 3.3Å; Y30-A32 PolarHBondContact O-N 3.02Å; Y30-K33 WeakPolarHBondContact O-CB 3.38Å; Y30-K33 PolarHBondContact O-N 3.45Å; Y30-K33 VanDerWaalsContact O-N 3.12Å; Y30-I34 HydrophobicContact CD1-CD1 4.36Å; Y30-I34 HydrophobicContact CD1-CG2 4.43Å; Y30-I34 HydrophobicContact CE1-CD1 4.2Å; Y30-I34 HydrophobicContact CE1-CG2 3.97Å; Y30-I34 HydrophobicContact CE2-CG2 4.27Å; Y30-I34 PolarHBondContact O-N 3.49Å; Y30-I46 HydrophobicContact CD1-CD1 4.45Å; Y30-I46 HydrophobicContact CE1-CD1 4.49Å; Y30-I46 HydrophobicContact CE1-CG2 4.4Å
31I95.3Very high93.8Very high85 Ų8591.4 Ų91.444%0.43646%0.464SS..Hα-helixtrans-59.5-42.8175.3-71.4163.5000110.6P27 L28 K33 I34 R35 I46P27-I31 WeakPolarHBondContact O-CB 3.46Å; P27-I31 WeakPolarHBondContact O-CD1 3.39Å; P27-I31 WeakPolarHBondContact O-CG1 3.47Å; P27-I31 PolarHBondContact O-N 3.01Å; L28-I31 PolarHBondContact O-N 3.44Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 2.8Å; I31-I34 WeakPolarHBondContact O-CG1 3.39Å; I31-I34 PolarHBondContact O-N 2.85Å; I31-R35 WeakPolarHBondContact O-CB 3.29Å; I31-R35 PolarHBondContact O-N 3.42Å; I31-I46 HydrophobicContact CG1-CD1 4.47Å
32A94.7Very high93.9Very high65 Ų6588.1 Ų88.154%0.53747%0.473SS..Hα-helixtrans-61.9-37.5176.200000112.3L28 G29 Y30L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 3.13Å; G29-A32 PolarHBondContact O-N 3.13Å; Y30-A32 VanDerWaalsContact C-N 3.3Å; Y30-A32 PolarHBondContact O-N 3.02Å
33K94.4Very high93.9Very high137 Ų13790 Ų9060%0.59647%0.471SS*.Hα-helixtrans-64.5-43175.6-179.9-179.5176.4177.50112.6E23 G29 Y30 I31 P36E23-K33 IonicContact OE1-NZ 2.88Å; E23-K33 PolarHBondContact OE1-NZ 3.26Å; G29-K33 PolarHBondContact O-N 3.06Å; Y30-K33 WeakPolarHBondContact O-CB 3.38Å; Y30-K33 PolarHBondContact O-N 3.45Å; Y30-K33 VanDerWaalsContact O-N 3.12Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 2.8Å; K33-P36 WeakPolarHBondContact O-CD 3.28Å
34I95Very high94.1Very high9 Ų989.7 Ų89.75%0.04647%0.474CS..Hα-helixtrans-85.1-15.1-177.566.4175.7000113.7F17 Y30 I31 P36 I37 A38 I46F17-I34 HydrophobicContact CD1-CB 4.32Å; F17-I34 HydrophobicContact CD1-CG2 3.75Å; F17-I34 HydrophobicContact CD2-CB 4.35Å; F17-I34 HydrophobicContact CD2-CD1 3.84Å; F17-I34 HydrophobicContact CD2-CG2 4.41Å; F17-I34 HydrophobicContact CE1-CB 4.08Å; F17-I34 HydrophobicContact CE1-CG2 3.89Å; F17-I34 HydrophobicContact CE2-CB 4.1Å; F17-I34 HydrophobicContact CE2-CD1 4.15Å; F17-I34 HydrophobicContact CG-CB 4.45Å; F17-I34 HydrophobicContact CG-CD1 4.27Å; F17-I34 HydrophobicContact CG-CG2 4.03Å; F17-I34 HydrophobicContact CZ-CB 3.96Å; F17-I34 HydrophobicContact CZ-CG2 4.28Å; Y30-I34 HydrophobicContact CD1-CD1 4.36Å; Y30-I34 HydrophobicContact CD1-CG2 4.43Å; Y30-I34 HydrophobicContact CE1-CD1 4.2Å; Y30-I34 HydrophobicContact CE1-CG2 3.97Å; Y30-I34 HydrophobicContact CE2-CG2 4.27Å; Y30-I34 PolarHBondContact O-N 3.49Å; I31-I34 WeakPolarHBondContact O-CG1 3.39Å; I31-I34 PolarHBondContact O-N 2.85Å; I34-P36 VanDerWaalsContact C-CD 3.44Å; I34-I37 PolarHBondContact O-N 2.99Å; I34-A38 PolarHBondContact O-N 3.29Å; I34-I46 HydrophobicContact CD1-CD1 3.87Å; I34-I46 HydrophobicContact CD1-CG1 4.21Å
35R93.8Very high94.3Very high159 Ų15991.4 Ų91.460%0.648%0.481SS*.Hα-helixtrans-47.1-48.2-178.2177.9179.7177.8169.84.1114I31 I37 A38 E39I31-R35 WeakPolarHBondContact O-CB 3.29Å; I31-R35 PolarHBondContact O-N 3.42Å; R35-I37 PolarHBondContact O-N 3.3Å; R35-A38 PolarHBondContact O-N 3.27Å; R35-E39 HydrophobicContact CG-CB 4.48Å; R35-E39 WeakPolarHBondContact CG-OE2 3.46Å; R35-E39 IonicContact NE-OE2 2.69Å; R35-E39 PolarHBondContact NE-OE2 3.07Å; R35-E39 VanDerWaalsContact NE-OE2 3.14Å; R35-E39 WeakPolarHBondContact O-CB 3.45Å; R35-E39 PolarHBondContact O-N 3.41Å
36P95.3Very high94.4Very high85 Ų8584.2 Ų84.255%0.55246%0.459SS*.Hα-helixtrans-60.9-22.3-177.3-23.234.8000114.6K33 I34K33-P36 WeakPolarHBondContact O-CD 3.28Å; I34-P36 VanDerWaalsContact C-CD 3.44Å
37I92.6Very high94.5Very high101 Ų10185.5 Ų85.552%0.51846%0.456SS..Hα-helixtrans-94.4-48.7179.5-56.8170.8000109.8F17 I34 R35 E39 K40F17-I37 HydrophobicContact CE1-CD1 4.49Å; F17-I37 HydrophobicContact CZ-CB 4.13Å; F17-I37 HydrophobicContact CZ-CG2 3.94Å; I34-I37 PolarHBondContact O-N 2.99Å; R35-I37 PolarHBondContact O-N 3.3Å; I37-E39 PolarHBondContact O-N 3.36Å; I37-K40 PolarHBondContact O-N 3.44Å
38A93.4Very high94.5Very high12 Ų1284.4 Ų84.410%0.09945%0.449CS..Hα-helixtrans-69.9-29.1-177.700000113.7F17 I34 R35 K40 S41 G42 C44F17-A38 HydrophobicContact CE2-CB 4.25Å; I34-A38 PolarHBondContact O-N 3.29Å; R35-A38 PolarHBondContact O-N 3.27Å; A38-K40 PolarHBondContact O-N 3.06Å; A38-S41 PolarHBondContact O-N 3.48Å; A38-S41 VanDerWaalsContact O-N 3.16Å; A38-S41 PolarHBondContact O-OG 2.95Å; A38-G42 PolarHBondContact O-N 3.07Å; A38-G42 VanDerWaalsContact O-N 3.08Å; A38-C44 HydrophobicContact CB-CB 3.74Å
39E93.7Very high94.5Very high123 Ų12378.8 Ų78.858%0.57542%0.421SS*.THydrogen-bonded Turntrans-62.5-31.1179.1-176.7167.5169.900111.7R35 I37 S41 G42R35-E39 HydrophobicContact CG-CB 4.48Å; R35-E39 WeakPolarHBondContact CG-OE2 3.46Å; R35-E39 IonicContact NE-OE2 2.69Å; R35-E39 PolarHBondContact NE-OE2 3.07Å; R35-E39 VanDerWaalsContact NE-OE2 3.14Å; R35-E39 WeakPolarHBondContact O-CB 3.45Å; R35-E39 PolarHBondContact O-N 3.41Å; I37-E39 PolarHBondContact O-N 3.36Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.05Å; E39-G42 PolarHBondContact O-N 3.16Å
40K93.4Very high94.3Very high190 Ų19081.2 Ų81.283%0.82644%0.438SS*.THydrogen-bonded Turntrans-65.5-32177.2-61.8-178.6-177.6179.30112.9I37 A38I37-K40 PolarHBondContact O-N 3.44Å; A38-K40 PolarHBondContact O-N 3.06Å
41S92.2Very high94.2Very high52 Ų5286.4 Ų86.436%0.36447%0.468SS..THydrogen-bonded Turntrans-96-11.3179.650.80000113.4P15 A38 E39 I43P15-S41 VanDerWaalsContact CD-OG 3.26Å; P15-S41 WeakPolarHBondContact CD-OG 3.25Å; A38-S41 PolarHBondContact O-N 3.48Å; A38-S41 VanDerWaalsContact O-N 3.16Å; A38-S41 PolarHBondContact O-OG 2.95Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.05Å; S41-I43 WeakPolarHBondContact CB-O 3.39Å; S41-I43 PolarHBondContact O-N 3.19Å; S41-I43 PolarHBondContact OG-O 3.12Å
42G94.3Very high94.1Very high67 Ų6788 Ų8869%0.69147%0.468SS*.SBendtrans72.2-26.2-175.900000114.7A38 E39A38-G42 PolarHBondContact O-N 3.07Å; A38-G42 VanDerWaalsContact O-N 3.08Å; E39-G42 PolarHBondContact O-N 3.16Å
43I94.8Very high93.9Very high119 Ų11992.4 Ų92.461%0.6148%0.478SS*.  trans-132153.5174.560.5170000110.6C14 S41C14-I43 HydrophobicContact CB-CD1 4.12Å; C14-I43 HydrophobicContact CB-CG1 3.84Å; S41-I43 WeakPolarHBondContact CB-O 3.39Å; S41-I43 PolarHBondContact O-N 3.19Å; S41-I43 PolarHBondContact OG-O 3.12Å
44C95.7Very high93.8Very high48 Ų4889.6 Ų89.632%0.32447%0.473SS..  trans-146.1161.9169.467.40000110.5P15 F17 A38P15-C44 HydrophobicContact CG-CB 4.07Å; F17-C44 HydrophobicContact CD2-CB 4.04Å; F17-C44 HydrophobicContact CE2-CB 3.78Å; A38-C44 HydrophobicContact CB-CB 3.74Å
45K96.6Very high93.7Very high87 Ų8795 Ų9538%0.37851%0.509SS..EExtended strand (participates in β ladder)trans-111.9127.1176.9-174.917370.1-164.50109.7P15 V16 F17P15-K45 PolarHBondContact O-N 3.13Å; V16-K45 CarbonylContact C-O 3.51Å; V16-K45 VanDerWaalsContact CA-O 3.32Å; V16-K45 WeakPolarHBondContact CA-O 3.31Å; V16-K45 HydrophobicContact CG1-CB 4.47Å; V16-K45 HydrophobicContact CG2-CB 4.32Å; V16-K45 VanDerWaalsContact CG2-CE 3.44Å; F17-K45 PolarHBondContact N-O 2.86Å
46I96.1Very high93.5Very high70 Ų7095.1 Ų95.136%0.35951%0.514SS..EExtended strand (participates in β ladder)trans-108.3124.5174.2-57175.8000108.3F17 P19 Y30 I31 I34F17-I46 WeakPolarHBondContact O-CA 3.41Å; P19-I46 HydrophobicContact CG-CG2 3.99Å; Y30-I46 HydrophobicContact CD1-CD1 4.45Å; Y30-I46 HydrophobicContact CE1-CD1 4.49Å; Y30-I46 HydrophobicContact CE1-CG2 4.4Å; I31-I46 HydrophobicContact CG1-CD1 4.47Å; I34-I46 HydrophobicContact CD1-CD1 3.87Å; I34-I46 HydrophobicContact CD1-CG1 4.21Å
47R95.4Very high93.3Very high119 Ų11996 Ų9645%0.44953%0.528SS..  trans-100.6113.4173.8-75.4175.8174.9167.4-1.1108.5V16 F17 E18 P19V16-R47 HydrophobicContact CG1-CG 4.11Å; F17-R47 PolarHBondContact O-N 2.92Å; E18-R47 HydrophobicContact CG-CB 3.84Å; E18-R47 VanDerWaalsContact OE1-CD 3.25Å; E18-R47 WeakPolarHBondContact OE1-CD 3.48Å; E18-R47 IonicContact OE1-CZ 3.4Å; E18-R47 IonicContact OE1-NE 3.78Å; E18-R47 IonicContact OE1-NH1 2.87Å; E18-R47 PolarHBondContact OE1-NH1 3.14Å; P19-R47 WeakPolarHBondContact CD-O 3.39Å
48P94.8Very high93.1Very high54 Ų5494.2 Ų94.235%0.35152%0.522SS..  trans-63.1163177.529.1-35.1000111.1F24 W52F24-P48 HydrophobicContact CD2-CB 4.41Å; F24-P48 HydrophobicContact CE2-CB 3.59Å; F24-P48 HydrophobicContact CZ-CB 3.67Å; P48-W52 HydrophobicContact CB-CB 4.4Å; P48-W52 HydrophobicContact CB-CD2 4.22Å; P48-W52 HydrophobicContact CB-CE3 3.57Å; P48-W52 HydrophobicContact CB-CZ3 4.2Å; P48-W52 HydrophobicContact CG-CE3 3.65Å; P48-W52 HydrophobicContact CG-CZ3 4.05Å
49P94.6Very high92.9Very high17 Ų17100.7 Ų100.711%0.1155%0.55CS.*  trans-51.5141.6172.5-25.634.2000111.7W21 F24 D51 W52W21-P49 HydrophobicContact CD2-CB 4.27Å; W21-P49 HydrophobicContact CD2-CG 4.19Å; W21-P49 HydrophobicContact CG-CG 4.38Å; W21-P49 HydrophobicContact CZ2-CB 4.26Å; F24-P49 HydrophobicContact CB-CG 4.08Å; F24-P49 HydrophobicContact CD1-CG 4.2Å; F24-P49 HydrophobicContact CG-CG 4.01Å; P49-D51 PolarHBondContact O-N 3.08Å; P49-D51 VanDerWaalsContact O-N 3.11Å; P49-W52 WeakPolarHBondContact O-CB 3.28Å; P49-W52 PolarHBondContact O-N 3Å
50A90.6Very high92.7Very high83 Ų8399.9 Ų99.969%0.68655%0.553SS**THydrogen-bonded Turntrans-59.1-29.1-172.700000114.3W52 Q53A50-W52 VanDerWaalsContact C-N 3.27Å; A50-W52 PolarHBondContact O-N 2.66Å; A50-Q53 PolarHBondContact O-NE2 3.46Å
51D92.4Very high92.5Very high133 Ų13399 Ų9971%0.71156%0.558SS**THydrogen-bonded Turntrans-78-11.2177.9-56.6-42.1000112.8W21 P49 Q53W21-D51 HydrophobicContact CZ2-CB 3.92Å; P49-D51 PolarHBondContact O-N 3.08Å; P49-D51 VanDerWaalsContact O-N 3.11Å; D51-Q53 PolarHBondContact O-N 3.44Å
52W91.4Very high92.4Very high117 Ų117102.5 Ų102.544%0.44357%0.572SS.*  trans-85.794.1177.1-170.480.6000110.3W21 F24 P48 P49 A50 P54W21-W52 HydrophobicContact CH2-CB 4.32Å; F24-W52 HydrophobicContact CE1-CB 4.38Å; F24-W52 AromaticContact CE1-CD1 3.67Å; F24-W52 AromaticContact CE1-CD2 3.86Å; F24-W52 HydrophobicContact CE1-CD2 3.86Å; F24-W52 AromaticContact CE1-CE2 3.89Å; F24-W52 AromaticContact CE1-CG 3.72Å; F24-W52 HydrophobicContact CE1-CG 3.72Å; F24-W52 AromaticContact CE1-NE1 3.76Å; F24-W52 AromaticContact CZ-CD2 3.77Å; F24-W52 HydrophobicContact CZ-CD2 3.77Å; F24-W52 AromaticContact CZ-CE2 3.9Å; F24-W52 HydrophobicContact CZ-CE3 4.1Å; F24-W52 HydrophobicContact CZ-CG 4.08Å; F24-W52 HydrophobicContact CZ-CZ2 4.32Å; F24-W52 HydrophobicContact CZ-CZ3 4.49Å; P48-W52 HydrophobicContact CB-CB 4.4Å; P48-W52 HydrophobicContact CB-CD2 4.22Å; P48-W52 HydrophobicContact CB-CE3 3.57Å; P48-W52 HydrophobicContact CB-CZ3 4.2Å; P48-W52 HydrophobicContact CG-CE3 3.65Å; P48-W52 HydrophobicContact CG-CZ3 4.05Å; P49-W52 WeakPolarHBondContact O-CB 3.28Å; P49-W52 PolarHBondContact O-N 3Å; A50-W52 VanDerWaalsContact C-N 3.27Å; A50-W52 PolarHBondContact O-N 2.66Å; W52-P54 HydrophobicContact CE3-CG 4.23Å; W52-P54 HydrophobicContact CH2-CG 3.7Å; W52-P54 HydrophobicContact CZ2-CB 4.45Å; W52-P54 HydrophobicContact CZ2-CG 3.97Å; W52-P54 HydrophobicContact CZ3-CG 3.83Å
53Q91.8Very high92.3Very high159 Ų159105 Ų10574%0.74356%0.564SS**  trans-126.984.5-179.6-64-179.221.600109.5A50 D51A50-Q53 PolarHBondContact O-NE2 3.46Å; D51-Q53 PolarHBondContact O-N 3.44Å
54P91.8Very high92.1Very high78 Ų78110.5 Ų110.551%0.50658%0.577SS.*  trans-65.9138.3178.228.2-34.8000110.2W52W52-P54 HydrophobicContact CE3-CG 4.23Å; W52-P54 HydrophobicContact CH2-CG 3.7Å; W52-P54 HydrophobicContact CZ2-CB 4.45Å; W52-P54 HydrophobicContact CZ2-CG 3.97Å; W52-P54 HydrophobicContact CZ3-CG 3.83Å
55P92.9Very high92Very high121 Ų121115.2 Ų115.279%0.78659%0.593SS**  trans-65.8143.2174.528.4-34000110.3A57P55-A57 PolarHBondContact O-N 3.25Å
56F90.4Very high91.8Very high163 Ų163117.3 Ų117.372%0.71561%0.613SS**  trans-75.7115.4174.1-167.9-116000109.3V58 V60F56-V58 VanDerWaalsContact C-N 3.29Å; F56-V58 HydrophobicContact CD1-CB 4.18Å; F56-V58 VanDerWaalsContact CD1-O 3.25Å; F56-V58 WeakPolarHBondContact CD1-O 3.29Å; F56-V58 HydrophobicContact CE1-CB 3.6Å; F56-V58 HydrophobicContact CE1-CG1 4.35Å; F56-V58 HydrophobicContact CE1-CG2 4.48Å; F56-V58 WeakPolarHBondContact CE1-O 3.44Å; F56-V58 HydrophobicContact CZ-CB 3.89Å; F56-V58 HydrophobicContact CZ-CG2 4.31Å; F56-V58 PolarHBondContact O-N 3Å; F56-V60 HydrophobicContact CD1-CG2 4.37Å; F56-V60 HydrophobicContact CE1-CG2 4.08Å
57A90Very high91.7Very high102 Ų102118.9 Ų118.984%0.84363%0.628SS**  trans-78.7-9.7-172.300000114.3P55P55-A57 PolarHBondContact O-N 3.25Å
58V88.8Confident91.3Very high64 Ų64124.8 Ų124.839%0.38865%0.65SS.*SBendtrans-98.3126.2-174.4179.60000110.2F56 V60 F63F56-V58 VanDerWaalsContact C-N 3.29Å; F56-V58 HydrophobicContact CD1-CB 4.18Å; F56-V58 VanDerWaalsContact CD1-O 3.25Å; F56-V58 WeakPolarHBondContact CD1-O 3.29Å; F56-V58 HydrophobicContact CE1-CB 3.6Å; F56-V58 HydrophobicContact CE1-CG1 4.35Å; F56-V58 HydrophobicContact CE1-CG2 4.48Å; F56-V58 WeakPolarHBondContact CE1-O 3.44Å; F56-V58 HydrophobicContact CZ-CB 3.89Å; F56-V58 HydrophobicContact CZ-CG2 4.31Å; F56-V58 PolarHBondContact O-N 3Å; V58-V60 PolarHBondContact O-N 2.68Å; V58-F63 HydrophobicContact CG1-CB 4.13Å; V58-F63 HydrophobicContact CG1-CD2 3.65Å; V58-F63 HydrophobicContact CG1-CE2 4.3Å; V58-F63 HydrophobicContact CG1-CG 4.01Å
59E89.8Confident90.8Very high149 Ų149129.8 Ų129.870%0.69667%0.672SS**  trans-72.4109.1172.7-66.9177.5-175.600110.4D61 N62 F63E59-D61 VanDerWaalsContact C-N 3.35Å; E59-D61 PolarHBondContact O-N 3.41Å; E59-N62 PolarHBondContact O-N 2.99Å; E59-F63 WeakPolarHBondContact O-CB 3.46Å; E59-F63 PolarHBondContact O-N 3.38Å
60V89.1Confident89.9Confident105 Ų105135.2 Ų135.264%0.63670%0.696SS**G310 helixtrans-64.7-38.2-173.6-177.30000112F56 V58 N62 F63F56-V60 HydrophobicContact CD1-CG2 4.37Å; F56-V60 HydrophobicContact CE1-CG2 4.08Å; V58-V60 PolarHBondContact O-N 2.68Å; V60-N62 VanDerWaalsContact C-N 3.27Å; V60-N62 PolarHBondContact O-N 3.26Å; V60-F63 PolarHBondContact O-N 3.39Å
61D88.8Confident89.3Confident173 Ų173138.3 Ų138.393%0.92569%0.69SS**G310 helixtrans-67.8-26.6-174.4-64.3-32.6000113.4E59E59-D61 VanDerWaalsContact C-N 3.35Å; E59-D61 PolarHBondContact O-N 3.41Å
62N90.6Very high88.2Confident124 Ų124138.1 Ų138.166%0.66369%0.688SS**G310 helixtrans-106-1-179.3-154.838000112.9E59 V60 R64E59-N62 PolarHBondContact O-N 2.99Å; V60-N62 VanDerWaalsContact C-N 3.27Å; V60-N62 PolarHBondContact O-N 3.26Å; N62-R64 PolarHBondContact O-N 3.43Å
63F91.8Very high86.7Confident120 Ų120139.1 Ų139.153%0.52670%0.702SS.*  trans-80.2110.2-178.5-173.7-103.2000111.4V58 E59 V60 F65V58-F63 HydrophobicContact CG1-CB 4.13Å; V58-F63 HydrophobicContact CG1-CD2 3.65Å; V58-F63 HydrophobicContact CG1-CE2 4.3Å; V58-F63 HydrophobicContact CG1-CG 4.01Å; E59-F63 WeakPolarHBondContact O-CB 3.46Å; E59-F63 PolarHBondContact O-N 3.38Å; V60-F63 PolarHBondContact O-N 3.39Å; F63-F65 AromaticContact CD1-CD1 3.8Å; F63-F65 HydrophobicContact CD1-CD1 3.8Å; F63-F65 HydrophobicContact CD1-CE1 4.41Å; F63-F65 HydrophobicContact CE1-CB 4.11Å; F63-F65 AromaticContact CE1-CD1 3.39Å; F63-F65 HydrophobicContact CE1-CD1 3.39Å; F63-F65 HydrophobicContact CE1-CE1 4.11Å; F63-F65 HydrophobicContact CE1-CG 4.03Å; F63-F65 HydrophobicContact CZ-CB 4.37Å; F63-F65 HydrophobicContact CZ-CD1 4.4Å
64R90.9Very high85Confident234 Ų234135.5 Ų135.588%0.88369%0.685SS**  trans-111.4129.4174.7-65.7-178-178.7-113.4-1.2110.3N62N62-R64 PolarHBondContact O-N 3.43Å
65F94.3Very high83.4Confident148 Ų148135.2 Ų135.265%0.64968%0.679SS**  trans-137.3154169.771.4-80.5000109.8F63 P67F63-F65 AromaticContact CD1-CD1 3.8Å; F63-F65 HydrophobicContact CD1-CD1 3.8Å; F63-F65 HydrophobicContact CD1-CE1 4.41Å; F63-F65 HydrophobicContact CE1-CB 4.11Å; F63-F65 AromaticContact CE1-CD1 3.39Å; F63-F65 HydrophobicContact CE1-CD1 3.39Å; F63-F65 HydrophobicContact CE1-CE1 4.11Å; F63-F65 HydrophobicContact CE1-CG 4.03Å; F63-F65 HydrophobicContact CZ-CB 4.37Å; F63-F65 HydrophobicContact CZ-CD1 4.4Å; F65-P67 HydrophobicContact CE2-CB 4.39Å; F65-P67 WeakPolarHBondContact O-CD 3.49Å
66T91.3Very high82Confident130 Ų130135.4 Ų135.480%0.79867%0.67SS**  trans-83.7115.3175.243.20000109.5
67P94.5Very high80.5Confident104 Ų104131.3 Ų131.368%0.67567%0.666SS**PPolyproline II helixtrans-70146.8179.129.1-34.5000110.7F65F65-P67 HydrophobicContact CE2-CB 4.39Å; F65-P67 WeakPolarHBondContact O-CD 3.49Å
68R85.9Confident79.1Confident242 Ų242134 Ų13491%0.91366%0.661SS**PPolyproline II helixtrans-94.6131.2171-68.6-176.8177.9177.3-0.6109.9
69I85.3Confident78.1Confident159 Ų159132.8 Ų132.882%0.81565%0.653SS**PPolyproline II helixtrans-81.3119.7173.7-59.2173.7000108.3R71I69-R71 HydrophobicContact CG2-CG 4.49Å
70Q76.7Confident77.3Confident132 Ų132132.1 Ų132.162%0.61765%0.645SS**  trans-110.8112.6175.9-169.4172.312.200110.1L75Q70-L75 VanDerWaalsContact NE2-CD2 3.26Å
71R76.7Confident76.8Confident147 Ų147130.5 Ų130.556%0.55564%0.635SS**  trans-89.2109.8176-65.1176.3-172.9158.46.8109.2I69 N73 E74 L75I69-R71 HydrophobicContact CG2-CG 4.49Å; R71-N73 VanDerWaalsContact C-N 3.26Å; R71-N73 PolarHBondContact O-N 3.48Å; R71-E74 HydrophobicContact CB-CB 4.3Å; R71-E74 HydrophobicContact CB-CG 3.98Å; R71-E74 VanDerWaalsContact CD-CD 3.44Å; R71-E74 WeakPolarHBondContact CD-OE1 3.26Å; R71-E74 IonicContact CZ-OE1 4Å; R71-E74 IonicContact NE-OE1 3.79Å; R71-E74 IonicContact NH1-OE1 2.67Å; R71-E74 PolarHBondContact NH1-OE1 3.23Å; R71-E74 IonicContact NH1-OE2 2.68Å; R71-E74 PolarHBondContact O-N 2.83Å; R71-L75 PolarHBondContact O-N 2.94Å
72L69.3Low76.6Confident129 Ų129125.2 Ų125.268%0.67560%0.604SS**G310 helixtrans-58.3-36.9-174.2-62.5176.6000113.1E74 L75L72-E74 PolarHBondContact O-N 3.34Å; L72-E74 VanDerWaalsContact O-N 3.17Å; L72-L75 HydrophobicContact CD2-CD2 4.44Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 3.02Å
73N61.1Low76.2Confident139 Ų139122.6 Ų122.674%0.74359%0.589SS**G310 helixtrans-61.8-23.8177.1-60.2-12.3000112.8R71 T79R71-N73 VanDerWaalsContact C-N 3.26Å; R71-N73 PolarHBondContact O-N 3.48Å; N73-T79 WeakPolarHBondContact O-CB 3.29Å; N73-T79 WeakPolarHBondContact O-CG2 3.28Å
74E56.3Low76Confident82 Ų82121.5 Ų121.538%0.38359%0.589SS.*G310 helixtrans-98.10.1-179.6-53.8177.1-174.200112R71 L72 R80 L83R71-E74 HydrophobicContact CB-CB 4.3Å; R71-E74 HydrophobicContact CB-CG 3.98Å; R71-E74 VanDerWaalsContact CD-CD 3.44Å; R71-E74 WeakPolarHBondContact CD-OE1 3.26Å; R71-E74 IonicContact CZ-OE1 4Å; R71-E74 IonicContact NE-OE1 3.79Å; R71-E74 IonicContact NH1-OE1 2.67Å; R71-E74 PolarHBondContact NH1-OE1 3.23Å; R71-E74 IonicContact NH1-OE2 2.68Å; R71-E74 PolarHBondContact O-N 2.83Å; L72-E74 PolarHBondContact O-N 3.34Å; L72-E74 VanDerWaalsContact O-N 3.17Å; E74-R80 VanDerWaalsContact O-CG 3.26Å; E74-R80 WeakPolarHBondContact O-CG 3.07Å; E74-L83 HydrophobicContact CB-CD1 3.87Å; E74-L83 HydrophobicContact CG-CD1 3.83Å
75L57.4Low75.8Confident73 Ų73111.2 Ų111.238%0.38255%0.55SS.*THydrogen-bonded Turntrans-89-29.8-174.8-171.561.5000113.3Q70 R71 L72 A77Q70-L75 VanDerWaalsContact NE2-CD2 3.26Å; R71-L75 PolarHBondContact O-N 2.94Å; L72-L75 HydrophobicContact CD2-CD2 4.44Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 3.02Å; L75-A77 PolarHBondContact O-N 3.46Å
76E63.7Low75.6Confident125 Ų125106 Ų10658%0.58453%0.529SS*.SBendtrans-59.8129.6176.9-71.6-174.4156.700110.6Q78 T79 R80E76-Q78 PolarHBondContact O-N 3.37Å; E76-Q78 VanDerWaalsContact O-N 3.16Å; E76-T79 CarbonylContact O-C 3.47Å; E76-T79 WeakPolarHBondContact O-CA 3.29Å; E76-T79 PolarHBondContact O-N 2.92Å; E76-T79 PolarHBondContact OE2-OG1 3.31Å; E76-R80 PolarHBondContact O-N 2.81Å
77A57.5Low75.4Confident76 Ų76102.7 Ų102.763%0.62851%0.506SS*.Hα-helixtrans-55.6-36.2-179.900000112L75 R80 V81L75-A77 PolarHBondContact O-N 3.46Å; A77-R80 PolarHBondContact O-N 3.44Å; A77-V81 WeakPolarHBondContact O-CG2 3.28Å; A77-V81 PolarHBondContact O-N 3.26Å; A77-V81 VanDerWaalsContact O-N 3.15Å
78Q61.7Low75.2Confident160 Ų160102.2 Ų102.275%0.74850%0.495SS*.Hα-helixtrans-64-41.2174.6-62.5-174-0.400111.8E76 K82E76-Q78 PolarHBondContact O-N 3.37Å; E76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-K82 PolarHBondContact O-N 3.47Å
79T68.5Low75.4Confident37 Ų3790.7 Ų90.723%0.22745%0.452CS..Hα-helixtrans-72.9-32178.5-53.80000112N73 E76 K82 L83N73-T79 WeakPolarHBondContact O-CB 3.29Å; N73-T79 WeakPolarHBondContact O-CG2 3.28Å; E76-T79 CarbonylContact O-C 3.47Å; E76-T79 WeakPolarHBondContact O-CA 3.29Å; E76-T79 PolarHBondContact O-N 2.92Å; E76-T79 PolarHBondContact OE2-OG1 3.31Å; T79-K82 PolarHBondContact O-N 3.21Å; T79-L83 HydrophobicContact CG2-CD1 4.17Å; T79-L83 HydrophobicContact CG2-CG 4.31Å; T79-L83 WeakPolarHBondContact O-CB 3.36Å; T79-L83 VanDerWaalsContact O-CG 3.26Å; T79-L83 WeakPolarHBondContact O-CG 3.48Å; T79-L83 PolarHBondContact O-N 3.28Å
80R71.7Confident75.5Confident136 Ų13684.3 Ų84.351%0.51342%0.423SS..Hα-helixtrans-62.8-46.2171.9-73-173176-177.6-0.8112.9E74 E76 A77 K82 L83 N84E74-R80 VanDerWaalsContact O-CG 3.26Å; E74-R80 WeakPolarHBondContact O-CG 3.07Å; E76-R80 PolarHBondContact O-N 2.81Å; A77-R80 PolarHBondContact O-N 3.44Å; R80-K82 VanDerWaalsContact C-N 3.26Å; R80-K82 PolarHBondContact O-N 3.07Å; R80-L83 PolarHBondContact O-N 3.37Å; R80-N84 WeakPolarHBondContact O-CB 3.5Å; R80-N84 VanDerWaalsContact O-CG 3.28Å; R80-N84 PolarHBondContact O-N 3.35Å
81V79.6Confident76.2Confident70 Ų7083 Ų8342%0.42442%0.415SS..Hα-helixtrans-60.8-42177176.70000110.2A77 N84 Y85 Y113A77-V81 WeakPolarHBondContact O-CG2 3.28Å; A77-V81 PolarHBondContact O-N 3.26Å; A77-V81 VanDerWaalsContact O-N 3.15Å; V81-N84 PolarHBondContact O-N 3.35Å; V81-Y85 WeakPolarHBondContact O-CB 3.25Å; V81-Y85 PolarHBondContact O-N 3.43Å; V81-Y113 HydrophobicContact CG1-CE2 3.66Å; V81-Y113 VanDerWaalsContact CG1-OH 3.31Å; V81-Y113 WeakPolarHBondContact CG1-OH 3.2Å
82K83.4Confident76.8Confident63 Ų6376.6 Ų76.627%0.27439%0.391SS..Hα-helixtrans-63.3-43.4175.6173.8167.4169.6-178.70113.1Q78 T79 R80 Y85 L86 D111 Y113Q78-K82 PolarHBondContact O-N 3.47Å; T79-K82 PolarHBondContact O-N 3.21Å; R80-K82 VanDerWaalsContact C-N 3.26Å; R80-K82 PolarHBondContact O-N 3.07Å; K82-Y85 PolarHBondContact O-N 3.24Å; K82-L86 HydrophobicContact CG-CD1 4.36Å; K82-L86 WeakPolarHBondContact O-CG 3.32Å; K82-L86 PolarHBondContact O-N 3.24Å; K82-D111 WeakPolarHBondContact CE-OD1 3.35Å; K82-D111 VanDerWaalsContact CE-OD2 3.29Å; K82-D111 WeakPolarHBondContact CE-OD2 3.26Å; K82-D111 IonicContact NZ-OD1 3.08Å; K82-D111 PolarHBondContact NZ-OD1 3.21Å; K82-D111 IonicContact NZ-OD2 3.83Å; K82-D111 PolarHBondContact NZ-OD2 3.21Å; K82-Y113 HydrophobicContact CB-CD1 3.74Å; K82-Y113 HydrophobicContact CB-CE1 4.4Å; K82-Y113 HydrophobicContact CB-CG 3.94Å; K82-Y113 HydrophobicContact CD-CD1 4.34Å; K82-Y113 HydrophobicContact CG-CD1 4.15Å; K82-Y113 HydrophobicContact CG-CG 4.16Å
83L82.7Confident77.8Confident69 Ų6972.6 Ų72.636%0.36137%0.367SS..Hα-helixtrans-65.6-43177-72.9169.8000111.7E74 T79 R80 Y85 L86 D87E74-L83 HydrophobicContact CB-CD1 3.87Å; E74-L83 HydrophobicContact CG-CD1 3.83Å; T79-L83 HydrophobicContact CG2-CD1 4.17Å; T79-L83 HydrophobicContact CG2-CG 4.31Å; T79-L83 WeakPolarHBondContact O-CB 3.36Å; T79-L83 VanDerWaalsContact O-CG 3.26Å; T79-L83 WeakPolarHBondContact O-CG 3.48Å; T79-L83 PolarHBondContact O-N 3.28Å; R80-L83 PolarHBondContact O-N 3.37Å; L83-Y85 VanDerWaalsContact C-N 3.31Å; L83-Y85 PolarHBondContact O-N 3.24Å; L83-L86 PolarHBondContact O-N 3.19Å; L83-D87 WeakPolarHBondContact O-CB 3.35Å; L83-D87 PolarHBondContact O-N 3.15Å
84N86.7Confident79.1Confident97 Ų9770.5 Ų70.552%0.51935%0.353SS..Hα-helixtrans-60.4-42.1175.5-73-11.9000111.6R80 V81 D87 Q88R80-N84 WeakPolarHBondContact O-CB 3.5Å; R80-N84 VanDerWaalsContact O-CG 3.28Å; R80-N84 PolarHBondContact O-N 3.35Å; V81-N84 PolarHBondContact O-N 3.35Å; N84-D87 PolarHBondContact O-N 3.1Å; N84-Q88 VanDerWaalsContact O-CG 3.3Å; N84-Q88 WeakPolarHBondContact O-CG 3.48Å; N84-Q88 PolarHBondContact O-N 3.43Å
85Y88.4Confident80.6Confident17 Ų1773.4 Ų73.47%0.06737%0.369CS..Hα-helixtrans-62-45.3175.1177.9-97.1000111.9V81 K82 L83 D87 Q88 I89 L112 Y113 N116 Y164V81-Y85 WeakPolarHBondContact O-CB 3.25Å; V81-Y85 PolarHBondContact O-N 3.43Å; K82-Y85 PolarHBondContact O-N 3.24Å; L83-Y85 VanDerWaalsContact C-N 3.31Å; L83-Y85 PolarHBondContact O-N 3.24Å; Y85-D87 VanDerWaalsContact C-N 3.3Å; Y85-D87 PolarHBondContact O-N 3.45Å; Y85-Q88 PolarHBondContact O-N 3.13Å; Y85-I89 WeakPolarHBondContact O-CG2 3.29Å; Y85-I89 PolarHBondContact O-N 3.3Å; Y85-L112 HydrophobicContact CE1-CB 4.07Å; Y85-Y113 HydrophobicContact CD1-CD2 4.07Å; Y85-Y113 HydrophobicContact CD1-CG 4.42Å; Y85-Y113 HydrophobicContact CD2-CD2 4.32Å; Y85-Y113 AromaticContact CG-CD2 3.77Å; Y85-Y113 HydrophobicContact CG-CD2 3.77Å; Y85-N116 VanDerWaalsContact CE2-ND2 3.29Å; Y85-N116 WeakPolarHBondContact CE2-ND2 3.37Å; Y85-N116 WeakPolarHBondContact OH-CB 3.33Å; Y85-N116 PolarHBondContact OH-ND2 3.09Å; Y85-N116 VanDerWaalsContact OH-ND2 3.14Å; Y85-Y164 HydrophobicContact CD2-CE1 4.31Å; Y85-Y164 HydrophobicContact CE2-CD1 4.2Å; Y85-Y164 AromaticContact CE2-CE1 3.64Å; Y85-Y164 HydrophobicContact CE2-CE1 3.64Å
86L88.4Confident81.9Confident39 Ų3973.7 Ų73.720%0.20437%0.369CS..Hα-helixtrans-63.3-35.8177.5-71175000112.6K82 L83 I89 A90 I102 L112K82-L86 HydrophobicContact CG-CD1 4.36Å; K82-L86 WeakPolarHBondContact O-CG 3.32Å; K82-L86 PolarHBondContact O-N 3.24Å; L83-L86 PolarHBondContact O-N 3.19Å; L86-I89 WeakPolarHBondContact O-CG2 3.23Å; L86-A90 WeakPolarHBondContact O-CB 3.47Å; L86-A90 PolarHBondContact O-N 2.95Å; L86-I102 HydrophobicContact CD2-CD1 4.39Å; L86-L112 HydrophobicContact CD2-CB 4.01Å; L86-L112 HydrophobicContact CD2-CD1 3.97Å; L86-L112 HydrophobicContact CD2-CG 4.26Å
87D88Confident82.8Confident61 Ų6171.2 Ų71.233%0.32638%0.377SS..Hα-helixtrans-67.6-44175.2-175.358.8000111.7L83 N84 Y85 A90 K91L83-D87 WeakPolarHBondContact O-CB 3.35Å; L83-D87 PolarHBondContact O-N 3.15Å; N84-D87 PolarHBondContact O-N 3.1Å; Y85-D87 VanDerWaalsContact C-N 3.3Å; Y85-D87 PolarHBondContact O-N 3.45Å; D87-A90 PolarHBondContact O-N 3.01Å; D87-K91 WeakPolarHBondContact O-CB 3.44Å; D87-K91 WeakPolarHBondContact O-CG 3.27Å; D87-K91 PolarHBondContact O-N 3.06Å; D87-K91 IonicContact OD1-NZ 3.14Å; D87-K91 VanDerWaalsContact OD2-CE 3.25Å; D87-K91 WeakPolarHBondContact OD2-CE 3.42Å; D87-K91 IonicContact OD2-NZ 2.62Å; D87-K91 PolarHBondContact OD2-NZ 3.45Å
88Q89.8Confident84.2Confident94 Ų9470.5 Ų70.544%0.43937%0.367SS..Hα-helixtrans-64.2-45.5178.1-70.6174.213.900112.6N84 Y85 A90 K91 F92 Y164N84-Q88 VanDerWaalsContact O-CG 3.3Å; N84-Q88 WeakPolarHBondContact O-CG 3.48Å; N84-Q88 PolarHBondContact O-N 3.43Å; Y85-Q88 PolarHBondContact O-N 3.13Å; Q88-A90 VanDerWaalsContact C-N 3.34Å; Q88-K91 PolarHBondContact O-N 3.25Å; Q88-F92 PolarHBondContact O-N 3.06Å; Q88-Y164 HydrophobicContact CB-CE2 4.38Å; Q88-Y164 VanDerWaalsContact CB-OH 3.29Å; Q88-Y164 WeakPolarHBondContact CB-OH 3.36Å; Q88-Y164 PolarHBondContact OE1-OH 3.44Å
89I90.3Very high85.2Confident0 Ų067.3 Ų67.30%036%0.362CS..Hα-helixtrans-68.9-34.5177.8-166.8169.5000111.3Y85 L86 F92 W93 L100 L112 I160 I161 Y164Y85-I89 WeakPolarHBondContact O-CG2 3.29Å; Y85-I89 PolarHBondContact O-N 3.3Å; L86-I89 WeakPolarHBondContact O-CG2 3.23Å; I89-F92 PolarHBondContact O-N 3.43Å; I89-W93 PolarHBondContact O-N 3.2Å; I89-W93 VanDerWaalsContact O-N 3.13Å; I89-L100 HydrophobicContact CG2-CD2 3.86Å; I89-L112 HydrophobicContact CD1-CD1 4.48Å; I89-I160 HydrophobicContact CD1-CG2 4.08Å; I89-I161 HydrophobicContact CD1-CG1 4.31Å; I89-Y164 HydrophobicContact CB-CD1 4.3Å; I89-Y164 HydrophobicContact CB-CD2 4.3Å; I89-Y164 HydrophobicContact CB-CE1 4.45Å; I89-Y164 HydrophobicContact CB-CE2 4.45Å; I89-Y164 HydrophobicContact CB-CG 4.22Å; I89-Y164 HydrophobicContact CD1-CD1 4.14Å; I89-Y164 HydrophobicContact CD1-CG 4.14Å; I89-Y164 HydrophobicContact CG1-CD1 4.17Å; I89-Y164 HydrophobicContact CG1-CD2 4.2Å; I89-Y164 HydrophobicContact CG1-CG 3.84Å
90A88.6Confident86.1Confident25 Ų2567.2 Ų67.221%0.20736%0.36CS..Hα-helixtrans-62.3-48.4173.700000111.7L86 D87 Q88 F92 W93 E94 L100L86-A90 WeakPolarHBondContact O-CB 3.47Å; L86-A90 PolarHBondContact O-N 2.95Å; D87-A90 PolarHBondContact O-N 3.01Å; Q88-A90 VanDerWaalsContact C-N 3.34Å; A90-F92 VanDerWaalsContact C-N 3.31Å; A90-F92 PolarHBondContact O-N 2.65Å; A90-W93 PolarHBondContact O-N 3.22Å; A90-E94 WeakPolarHBondContact O-CG 3.31Å; A90-E94 PolarHBondContact O-N 2.98Å; A90-L100 HydrophobicContact CB-CD2 3.99Å
91K89.6Confident86.7Confident104 Ų10468.5 Ų68.545%0.45237%0.37SS..Hα-helixtrans-58.1-42175.3-74.5168.7176.6167.60112.4D87 Q88 W93 E94 I95D87-K91 WeakPolarHBondContact O-CB 3.44Å; D87-K91 WeakPolarHBondContact O-CG 3.27Å; D87-K91 PolarHBondContact O-N 3.06Å; D87-K91 IonicContact OD1-NZ 3.14Å; D87-K91 VanDerWaalsContact OD2-CE 3.25Å; D87-K91 WeakPolarHBondContact OD2-CE 3.42Å; D87-K91 IonicContact OD2-NZ 2.62Å; D87-K91 PolarHBondContact OD2-NZ 3.45Å; Q88-K91 PolarHBondContact O-N 3.25Å; K91-W93 PolarHBondContact O-N 3.48Å; K91-E94 PolarHBondContact O-N 3.36Å; K91-I95 VanDerWaalsContact O-CG1 3.29Å; K91-I95 WeakPolarHBondContact O-CG1 3.33Å; K91-I95 PolarHBondContact O-N 3.3Å
92F90.2Very high87.1Confident12 Ų1268.1 Ų68.15%0.05337%0.365CS..Hα-helixtrans-56.4-50.2175.4168.5-99000111.3Q88 I89 A90 E94 I95 Q96 P163 Y164 F167Q88-F92 PolarHBondContact O-N 3.06Å; I89-F92 PolarHBondContact O-N 3.43Å; A90-F92 VanDerWaalsContact C-N 3.31Å; A90-F92 PolarHBondContact O-N 2.65Å; F92-E94 PolarHBondContact O-N 3.49Å; F92-I95 PolarHBondContact O-N 2.6Å; F92-Q96 HydrophobicContact CE1-CG 4.28Å; F92-Q96 HydrophobicContact CE2-CG 4.2Å; F92-Q96 HydrophobicContact CZ-CG 4.04Å; F92-Q96 WeakPolarHBondContact O-CG 3.42Å; F92-Q96 PolarHBondContact O-N 3.4Å; F92-Q96 VanDerWaalsContact O-N 3.14Å; F92-P163 HydrophobicContact CE1-CB 4.02Å; F92-P163 HydrophobicContact CZ-CB 4.12Å; F92-Y164 HydrophobicContact CB-CD2 3.67Å; F92-Y164 HydrophobicContact CB-CE2 4.12Å; F92-Y164 HydrophobicContact CD1-CD2 4.08Å; F92-Y164 HydrophobicContact CD2-CD2 4.24Å; F92-Y164 AromaticContact CG-CD2 3.73Å; F92-Y164 HydrophobicContact CG-CD2 3.73Å; F92-F167 HydrophobicContact CD2-CB 4.19Å; F92-F167 AromaticContact CD2-CD1 3.89Å; F92-F167 HydrophobicContact CD2-CD1 3.89Å; F92-F167 HydrophobicContact CD2-CD2 4.27Å; F92-F167 HydrophobicContact CD2-CE1 4.35Å; F92-F167 AromaticContact CD2-CG 3.85Å; F92-F167 HydrophobicContact CD2-CG 3.85Å; F92-F167 HydrophobicContact CE2-CB 3.67Å; F92-F167 HydrophobicContact CE2-CD1 4.22Å; F92-F167 HydrophobicContact CE2-CD2 4.01Å; F92-F167 AromaticContact CE2-CG 3.7Å; F92-F167 HydrophobicContact CE2-CG 3.7Å; F92-F167 HydrophobicContact CZ-CB 4.34Å
93W89.3Confident87.3Confident45 Ų4566.1 Ų66.117%0.1736%0.358CS..Hα-helixtrans-65.2-39.7179.6-78.5107.5000112.3I89 A90 K91 I95 Q96 G97 S98 L100 R159 I160 P163I89-W93 PolarHBondContact O-N 3.2Å; I89-W93 VanDerWaalsContact O-N 3.13Å; A90-W93 PolarHBondContact O-N 3.22Å; K91-W93 PolarHBondContact O-N 3.48Å; W93-I95 VanDerWaalsContact C-N 3.34Å; W93-I95 PolarHBondContact O-N 3.16Å; W93-Q96 CarbonylContact O-C 3.58Å; W93-Q96 WeakPolarHBondContact O-CA 3.49Å; W93-Q96 PolarHBondContact O-N 3.28Å; W93-Q96 VanDerWaalsContact O-N 3.08Å; W93-G97 PolarHBondContact O-N 3.06Å; W93-S98 CarbonylContact C-O 2.87Å; W93-S98 VanDerWaalsContact CB-O 3.28Å; W93-S98 WeakPolarHBondContact CB-O 3.29Å; W93-S98 CarbonylContact O-C 3.56Å; W93-S98 PolarHBondContact O-N 3.41Å; W93-L100 HydrophobicContact CB-CB 4.21Å; W93-L100 HydrophobicContact CG-CB 4.38Å; W93-L100 HydrophobicContact CG-CD1 4.39Å; W93-R159 WeakPolarHBondContact CH2-O 3.45Å; W93-R159 VanDerWaalsContact CZ2-O 3.27Å; W93-R159 WeakPolarHBondContact CZ2-O 3.45Å; W93-I160 WeakPolarHBondContact CZ2-O 3.41Å; W93-I160 PolarHBondContact NE1-O 3.06Å; W93-I160 VanDerWaalsContact NE1-O 3.15Å; W93-P163 HydrophobicContact CH2-CB 4.45Å; W93-P163 HydrophobicContact CH2-CG 4.13Å; W93-P163 HydrophobicContact CZ2-CB 4.3Å; W93-P163 HydrophobicContact CZ2-CG 4.05Å
94E88.8Confident87.3Confident96 Ų9667.8 Ų67.845%0.44937%0.368SS..Hα-helixtrans-59.2-43.1175.6-74.7-176.616700112.3A90 K91 F92 Q96 G97 S98 H193A90-E94 WeakPolarHBondContact O-CG 3.31Å; A90-E94 PolarHBondContact O-N 2.98Å; K91-E94 PolarHBondContact O-N 3.36Å; F92-E94 PolarHBondContact O-N 3.49Å; E94-Q96 VanDerWaalsContact C-N 3.27Å; E94-Q96 PolarHBondContact O-N 2.92Å; E94-G97 PolarHBondContact O-N 3.47Å; E94-S98 PolarHBondContact N-O 2.86Å; E94-H193 IonicContact OE1-CE1 2.65Å; E94-H193 PolarHBondContact OE1-CE1 2.88Å
95I88.4Confident87.2Confident142 Ų14263.2 Ų63.273%0.72834%0.343SS*.Hα-helixtrans-63.5-34.4175.5-67165000111.2K91 F92 W93 G97K91-I95 VanDerWaalsContact O-CG1 3.29Å; K91-I95 WeakPolarHBondContact O-CG1 3.33Å; K91-I95 PolarHBondContact O-N 3.3Å; F92-I95 PolarHBondContact O-N 2.6Å; W93-I95 VanDerWaalsContact C-N 3.34Å; W93-I95 PolarHBondContact O-N 3.16Å; I95-G97 PolarHBondContact O-N 3.5Å
96Q85.4Confident86.8Confident80 Ų8066.2 Ų66.237%0.37436%0.358SS..THydrogen-bonded Turntrans-776.8174.4-59.5-60.1-61.100113.3F92 W93 E94 S98F92-Q96 HydrophobicContact CE1-CG 4.28Å; F92-Q96 HydrophobicContact CE2-CG 4.2Å; F92-Q96 HydrophobicContact CZ-CG 4.04Å; F92-Q96 WeakPolarHBondContact O-CG 3.42Å; F92-Q96 PolarHBondContact O-N 3.4Å; F92-Q96 VanDerWaalsContact O-N 3.14Å; W93-Q96 CarbonylContact O-C 3.58Å; W93-Q96 WeakPolarHBondContact O-CA 3.49Å; W93-Q96 PolarHBondContact O-N 3.28Å; W93-Q96 VanDerWaalsContact O-N 3.08Å; E94-Q96 VanDerWaalsContact C-N 3.27Å; E94-Q96 PolarHBondContact O-N 2.92Å; Q96-S98 VanDerWaalsContact C-N 3.27Å; Q96-S98 PolarHBondContact O-N 3.09Å
97G82.8Confident86.2Confident73 Ų7376.1 Ų76.175%0.75339%0.392SS*.THydrogen-bonded Turntrans73.314.5179.800000114.5W93 E94 I95W93-G97 PolarHBondContact O-N 3.06Å; E94-G97 PolarHBondContact O-N 3.47Å; I95-G97 PolarHBondContact O-N 3.5Å
98S85.5Confident85.7Confident60 Ų6079.2 Ų79.242%0.4240%0.403SS..  trans-122.9133.9-178.5-77.40000111.2W93 E94 Q96W93-S98 CarbonylContact C-O 2.87Å; W93-S98 VanDerWaalsContact CB-O 3.28Å; W93-S98 WeakPolarHBondContact CB-O 3.29Å; W93-S98 CarbonylContact O-C 3.56Å; W93-S98 PolarHBondContact O-N 3.41Å; E94-S98 PolarHBondContact N-O 2.86Å; Q96-S98 VanDerWaalsContact C-N 3.27Å; Q96-S98 PolarHBondContact O-N 3.09Å
99S83Confident85.4Confident93 Ų9379.2 Ų79.265%0.6541%0.405SS*.  trans-81.9129.9175.3-175.90000111.2K101S99-K101 PolarHBondContact O-N 2.88Å; S99-K101 VanDerWaalsContact O-N 3.14Å
100L87.3Confident85.1Confident35 Ų3579.4 Ų79.418%0.18341%0.406CS..  trans-60.8113.3176.9176.267.6000111.1I89 A90 W93 I102 L112 I160I89-L100 HydrophobicContact CG2-CD2 3.86Å; A90-L100 HydrophobicContact CB-CD2 3.99Å; W93-L100 HydrophobicContact CB-CB 4.21Å; W93-L100 HydrophobicContact CG-CB 4.38Å; W93-L100 HydrophobicContact CG-CD1 4.39Å; L100-I102 HydrophobicContact CD2-CG1 4.44Å; L100-I102 HydrophobicContact CG-CG1 4.34Å; L100-L112 HydrophobicContact CD1-CD1 4.28Å; L100-L112 HydrophobicContact CD2-CD1 4.39Å; L100-I160 HydrophobicContact CD1-CG2 3.49Å; L100-I160 VanDerWaalsContact CD1-CG2 3.49Å
101K85.4Confident85Confident163 Ų16379.6 Ų79.671%0.70940%0.404SS*.  trans-107.1105.9174.3-67.7179.1-1751740110.7S99 P103S99-K101 PolarHBondContact O-N 2.88Å; S99-K101 VanDerWaalsContact O-N 3.14Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å
102I87.8Confident85Confident62 Ų6274.7 Ų74.732%0.31838%0.382SS..PPolyproline II helixtrans-76.8120177.1-51.5178.5000109.2L86 L100 I109 L110 L112L86-I102 HydrophobicContact CD2-CD1 4.39Å; L100-I102 HydrophobicContact CD2-CG1 4.44Å; L100-I102 HydrophobicContact CG-CG1 4.34Å; I102-I109 HydrophobicContact CB-CG2 4.36Å; I102-I109 HydrophobicContact CG2-CG2 3.58Å; I102-L110 HydrophobicContact CG2-CB 4.29Å; I102-L110 VanDerWaalsContact CG2-O 3.28Å; I102-L110 WeakPolarHBondContact CG2-O 3.02Å; I102-L112 HydrophobicContact CD1-CD1 4.46Å; I102-L112 HydrophobicContact CG1-CD1 4.18Å
103P86.9Confident85Confident21 Ų2176.7 Ų76.714%0.13639%0.39CS..PPolyproline II helixtrans-77.8155.4-179.831.1-33.3000111.7K101 L110 H156 I160K101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-L110 HydrophobicContact CG-CB 4.33Å; P103-L110 HydrophobicContact CG-CD2 3.96Å; P103-L110 VanDerWaalsContact O-CB 3.29Å; P103-L110 WeakPolarHBondContact O-CB 3.38Å; P103-L110 PolarHBondContact O-N 2.98Å; P103-H156 HydrophobicContact CG-CB 4.26Å; P103-H156 VanDerWaalsContact CG-CD2 3.46Å; P103-H156 WeakPolarHBondContact CG-CD2 3.39Å; P103-I160 HydrophobicContact CG-CD1 4.05Å
104N83.7Confident85Confident105 Ų10576.3 Ų76.356%0.56139%0.394SS*.EExtended strand (participates in β ladder)trans-94.3122.2171.9-66.848.1000109.4K108N104-K108 CarbonylContact C-O 3.48Å; N104-K108 VanDerWaalsContact CA-O 3.29Å; N104-K108 WeakPolarHBondContact CA-O 3.5Å
105V83.7Confident85Confident1 Ų171.7 Ų71.71%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-107.8119.4173.2178.80000107.3R107 K108 L110 Y143 I149 L152 L153V105-R107 PolarHBondContact O-N 3.39Å; V105-K108 PolarHBondContact N-O 3.45Å; V105-K108 PolarHBondContact O-N 2.87Å; V105-L110 HydrophobicContact CG2-CB 4.29Å; V105-L110 HydrophobicContact CG2-CD1 4.27Å; V105-L110 HydrophobicContact CG2-CD2 4.48Å; V105-Y143 HydrophobicContact CB-CE1 4.04Å; V105-Y143 HydrophobicContact CG1-CD1 4.17Å; V105-Y143 HydrophobicContact CG1-CE1 3.7Å; V105-Y143 HydrophobicContact CG1-CE2 4.43Å; V105-I149 HydrophobicContact CG1-CG2 3.95Å; V105-L152 HydrophobicContact CG1-CD2 4.15Å; V105-L152 HydrophobicContact CG2-CD2 4.07Å; V105-L153 HydrophobicContact CG2-CD2 4.46Å
106E80.2Confident85.1Confident80 Ų8066 Ų6637%0.37434%0.343SS..THydrogen-bonded Turntrans53.846178.9-155.7-168.8-158.200114.7K108 Y143 P144 K147E106-K108 PolarHBondContact O-N 2.85Å; E106-Y143 HydrophobicContact CB-CD1 4.33Å; E106-Y143 HydrophobicContact CB-CE1 4.42Å; E106-P144 VanDerWaalsContact CD-CG 3.44Å; E106-P144 WeakPolarHBondContact OE1-CG 3.3Å; E106-P144 WeakPolarHBondContact OE2-CD 3.5Å; E106-P144 VanDerWaalsContact OE2-CG 3.25Å; E106-P144 WeakPolarHBondContact OE2-CG 3.33Å; E106-K147 IonicContact OE1-NZ 3.77Å; E106-K147 PolarHBondContact OE1-NZ 3.31Å
107R76.4Confident85.3Confident247 Ų24767 Ų6793%0.93235%0.347SS*.THydrogen-bonded Turntrans64.45.7-178.4-48.9179.2179.1-170.6-1.2114.6V105V105-R107 PolarHBondContact O-N 3.39Å
108K77.3Confident85.7Confident126 Ų12664.5 Ų64.555%0.54832%0.315SS..EExtended strand (participates in β ladder)trans-106.6143.2170.2-165.9177.6178.9179.70109.5N104 V105 E106 L110N104-K108 CarbonylContact C-O 3.48Å; N104-K108 VanDerWaalsContact CA-O 3.29Å; N104-K108 WeakPolarHBondContact CA-O 3.5Å; V105-K108 PolarHBondContact N-O 3.45Å; V105-K108 PolarHBondContact O-N 2.87Å; E106-K108 PolarHBondContact O-N 2.85Å; K108-L110 PolarHBondContact O-N 3.12Å
109I81.9Confident85.9Confident94 Ų9461.6 Ų61.648%0.48230%0.295SS..EExtended strand (participates in β ladder)trans-67.9131.9171.9-61.1170.5000107.7I102 D111I102-I109 HydrophobicContact CB-CG2 4.36Å; I102-I109 HydrophobicContact CG2-CG2 3.58Å; I109-D111 PolarHBondContact O-N 3.38Å
110L85Confident86.1Confident4 Ų462.3 Ų62.32%0.02129%0.289CS..  trans-65.8123.4179.2-17961.1000110.7I102 P103 V105 K108 L112 L115 L153 H156I102-L110 HydrophobicContact CG2-CB 4.29Å; I102-L110 VanDerWaalsContact CG2-O 3.28Å; I102-L110 WeakPolarHBondContact CG2-O 3.02Å; P103-L110 HydrophobicContact CG-CB 4.33Å; P103-L110 HydrophobicContact CG-CD2 3.96Å; P103-L110 VanDerWaalsContact O-CB 3.29Å; P103-L110 WeakPolarHBondContact O-CB 3.38Å; P103-L110 PolarHBondContact O-N 2.98Å; V105-L110 HydrophobicContact CG2-CB 4.29Å; V105-L110 HydrophobicContact CG2-CD1 4.27Å; V105-L110 HydrophobicContact CG2-CD2 4.48Å; K108-L110 PolarHBondContact O-N 3.12Å; L110-L112 HydrophobicContact CD2-CD2 4.02Å; L110-L112 HydrophobicContact CG-CD2 4.21Å; L110-L112 PolarHBondContact O-N 3.26Å; L110-L115 HydrophobicContact CD1-CD2 4.3Å; L110-L115 HydrophobicContact CD2-CD2 4.11Å; L110-L115 HydrophobicContact CG-CD2 4.47Å; L110-L153 HydrophobicContact CD1-CD2 3.5Å; L110-L153 HydrophobicContact CD2-CD2 4.47Å; L110-H156 HydrophobicContact CD2-CB 3.88Å
111D87.1Confident86.2Confident29 Ų2966.2 Ų66.216%0.15531%0.307CS..  trans-81.498.3173.6-174.9-4.2000110.8K82 I109 Y113 S114 L115K82-D111 WeakPolarHBondContact CE-OD1 3.35Å; K82-D111 VanDerWaalsContact CE-OD2 3.29Å; K82-D111 WeakPolarHBondContact CE-OD2 3.26Å; K82-D111 IonicContact NZ-OD1 3.08Å; K82-D111 PolarHBondContact NZ-OD1 3.21Å; K82-D111 IonicContact NZ-OD2 3.83Å; K82-D111 PolarHBondContact NZ-OD2 3.21Å; I109-D111 PolarHBondContact O-N 3.38Å; D111-Y113 VanDerWaalsContact C-N 3.34Å; D111-Y113 PolarHBondContact O-N 2.58Å; D111-Y113 PolarHBondContact OD1-N 2.87Å; D111-S114 VanDerWaalsContact CG-OG 3.25Å; D111-S114 PolarHBondContact OD1-N 3.34Å; D111-S114 VanDerWaalsContact OD2-CB 3.28Å; D111-S114 WeakPolarHBondContact OD2-CB 3.01Å; D111-S114 PolarHBondContact OD2-OG 3.49Å; D111-L115 VanDerWaalsContact O-CB 3.26Å; D111-L115 WeakPolarHBondContact O-CB 3.35Å; D111-L115 PolarHBondContact O-N 2.88Å
112L89.5Confident86.2Confident0 Ų059.5 Ų59.50%028%0.278CS..Hα-helixtrans-64-37.3-178.7-57.2178.9000112.5Y85 L86 I89 L100 I102 L110 N116 I160 I161Y85-L112 HydrophobicContact CE1-CB 4.07Å; L86-L112 HydrophobicContact CD2-CB 4.01Å; L86-L112 HydrophobicContact CD2-CD1 3.97Å; L86-L112 HydrophobicContact CD2-CG 4.26Å; I89-L112 HydrophobicContact CD1-CD1 4.48Å; L100-L112 HydrophobicContact CD1-CD1 4.28Å; L100-L112 HydrophobicContact CD2-CD1 4.39Å; I102-L112 HydrophobicContact CD1-CD1 4.46Å; I102-L112 HydrophobicContact CG1-CD1 4.18Å; L110-L112 HydrophobicContact CD2-CD2 4.02Å; L110-L112 HydrophobicContact CG-CD2 4.21Å; L110-L112 PolarHBondContact O-N 3.26Å; L112-N116 WeakPolarHBondContact O-CB 3.4Å; L112-N116 PolarHBondContact O-N 3.02Å; L112-I160 HydrophobicContact CD1-CG2 4.04Å; L112-I160 HydrophobicContact CD2-CG2 4.3Å; L112-I161 HydrophobicContact CB-CD1 4.17Å; L112-I161 HydrophobicContact CD2-CD1 3.98Å; L112-I161 HydrophobicContact CD2-CG1 4.18Å
113Y89.3Confident85.9Confident55 Ų5559.2 Ų59.222%0.21629%0.29CS..Hα-helixtrans-67.5-50.6-178.8173.4-105.2000111.2V81 K82 Y85 D111 L115 N116 K117V81-Y113 HydrophobicContact CG1-CE2 3.66Å; V81-Y113 VanDerWaalsContact CG1-OH 3.31Å; V81-Y113 WeakPolarHBondContact CG1-OH 3.2Å; K82-Y113 HydrophobicContact CB-CD1 3.74Å; K82-Y113 HydrophobicContact CB-CE1 4.4Å; K82-Y113 HydrophobicContact CB-CG 3.94Å; K82-Y113 HydrophobicContact CD-CD1 4.34Å; K82-Y113 HydrophobicContact CG-CD1 4.15Å; K82-Y113 HydrophobicContact CG-CG 4.16Å; Y85-Y113 HydrophobicContact CD1-CD2 4.07Å; Y85-Y113 HydrophobicContact CD1-CG 4.42Å; Y85-Y113 HydrophobicContact CD2-CD2 4.32Å; Y85-Y113 AromaticContact CG-CD2 3.77Å; Y85-Y113 HydrophobicContact CG-CD2 3.77Å; D111-Y113 VanDerWaalsContact C-N 3.34Å; D111-Y113 PolarHBondContact O-N 2.58Å; D111-Y113 PolarHBondContact OD1-N 2.87Å; Y113-L115 VanDerWaalsContact C-N 3.29Å; Y113-L115 PolarHBondContact O-N 3.4Å; Y113-N116 PolarHBondContact O-N 2.86Å; Y113-K117 HydrophobicContact CE1-CD 4.34Å; Y113-K117 WeakPolarHBondContact O-CB 3.26Å; Y113-K117 PolarHBondContact O-N 3.38Å
114S88.8Confident85.9Confident36 Ų3658.7 Ų58.725%0.25229%0.289SS..Hα-helixtrans-64.1-37.2179-61.90000111.6D111 I118D111-S114 VanDerWaalsContact CG-OG 3.25Å; D111-S114 PolarHBondContact OD1-N 3.34Å; D111-S114 VanDerWaalsContact OD2-CB 3.28Å; D111-S114 WeakPolarHBondContact OD2-CB 3.01Å; D111-S114 PolarHBondContact OD2-OG 3.49Å; S114-I118 WeakPolarHBondContact O-CD1 3.42Å; S114-I118 VanDerWaalsContact O-CG1 3.28Å; S114-I118 WeakPolarHBondContact O-CG1 3.28Å; S114-I118 PolarHBondContact O-N 3.14Å; S114-I118 VanDerWaalsContact O-N 3.09Å
115L89.9Confident86Confident0 Ų054.4 Ų54.40%027%0.265CS..Hα-helixtrans-61.9-50.3174.4176.462.7000111.3L110 D111 Y113 K117 I118 V119 W134 V137 L141 L153 Y157 I161L110-L115 HydrophobicContact CD1-CD2 4.3Å; L110-L115 HydrophobicContact CD2-CD2 4.11Å; L110-L115 HydrophobicContact CG-CD2 4.47Å; D111-L115 VanDerWaalsContact O-CB 3.26Å; D111-L115 WeakPolarHBondContact O-CB 3.35Å; D111-L115 PolarHBondContact O-N 2.88Å; Y113-L115 VanDerWaalsContact C-N 3.29Å; Y113-L115 PolarHBondContact O-N 3.4Å; L115-K117 PolarHBondContact O-N 2.9Å; L115-I118 PolarHBondContact O-N 3.18Å; L115-V119 HydrophobicContact CD1-CG2 4.27Å; L115-V119 WeakPolarHBondContact O-CB 3.45Å; L115-V119 VanDerWaalsContact O-CG2 3.25Å; L115-V119 WeakPolarHBondContact O-CG2 3.44Å; L115-V119 PolarHBondContact O-N 3.14Å; L115-W134 HydrophobicContact CD1-CZ3 4.39Å; L115-V137 HydrophobicContact CD1-CG1 3.76Å; L115-L141 HydrophobicContact CB-CD1 4.17Å; L115-L141 HydrophobicContact CD1-CD1 3.71Å; L115-L153 HydrophobicContact CD2-CD2 4.48Å; L115-Y157 HydrophobicContact CD1-CD2 4.44Å; L115-Y157 HydrophobicContact CD2-CD2 3.97Å; L115-Y157 HydrophobicContact CG-CD2 3.88Å; L115-Y157 HydrophobicContact CG-CE2 4.46Å; L115-I161 HydrophobicContact CB-CD1 4.41Å; L115-I161 HydrophobicContact CD2-CD1 3.75Å; L115-I161 HydrophobicContact CG-CD1 4.12Å
116N90.6Very high86.1Confident22 Ų2259.8 Ų59.812%0.11829%0.29CS..Hα-helixtrans-59.9-46.5177.2-173.826.9000111.8Y85 L112 Y113 I118 V119 M120 Y157 I161Y85-N116 VanDerWaalsContact CE2-ND2 3.29Å; Y85-N116 WeakPolarHBondContact CE2-ND2 3.37Å; Y85-N116 WeakPolarHBondContact OH-CB 3.33Å; Y85-N116 PolarHBondContact OH-ND2 3.09Å; Y85-N116 VanDerWaalsContact OH-ND2 3.14Å; L112-N116 WeakPolarHBondContact O-CB 3.4Å; L112-N116 PolarHBondContact O-N 3.02Å; Y113-N116 PolarHBondContact O-N 2.86Å; N116-I118 PolarHBondContact O-N 3.16Å; N116-V119 PolarHBondContact O-N 2.75Å; N116-V119 VanDerWaalsContact O-N 3.12Å; N116-M120 VanDerWaalsContact O-CG 3.32Å; N116-M120 WeakPolarHBondContact O-CG 3.47Å; N116-M120 PolarHBondContact O-N 3.05Å; N116-Y157 PolarHBondContact OD1-OH 3Å; N116-I161 HydrophobicContact CB-CG2 4.24Å
117K89.8Confident86.5Confident102 Ų10257.3 Ų57.344%0.44328%0.283SS..Hα-helixtrans-56.8-48.6179.7-174.9179.5177.2-176.90112.4Y113 L115 V119 M120 E121Y113-K117 HydrophobicContact CE1-CD 4.34Å; Y113-K117 WeakPolarHBondContact O-CB 3.26Å; Y113-K117 PolarHBondContact O-N 3.38Å; L115-K117 PolarHBondContact O-N 2.9Å; K117-V119 VanDerWaalsContact C-N 3.3Å; K117-V119 PolarHBondContact O-N 2.88Å; K117-M120 PolarHBondContact O-N 3.17Å; K117-E121 VanDerWaalsContact CE-OE1 3.29Å; K117-E121 WeakPolarHBondContact CE-OE1 3.48Å; K117-E121 WeakPolarHBondContact O-CG 3.34Å; K117-E121 PolarHBondContact O-N 2.99Å
118I89.8Confident87Confident19 Ų1945.5 Ų45.510%0.09724%0.238CC..Hα-helixtrans-65.2-37.3178.7-65.8162.1000110.9S114 L115 N116 E121 E122 V137 R140 L141S114-I118 WeakPolarHBondContact O-CD1 3.42Å; S114-I118 VanDerWaalsContact O-CG1 3.28Å; S114-I118 WeakPolarHBondContact O-CG1 3.28Å; S114-I118 PolarHBondContact O-N 3.14Å; S114-I118 VanDerWaalsContact O-N 3.09Å; L115-I118 PolarHBondContact O-N 3.18Å; N116-I118 PolarHBondContact O-N 3.16Å; I118-E121 PolarHBondContact O-N 3.34Å; I118-E122 HydrophobicContact CG2-CG 4.48Å; I118-E122 WeakPolarHBondContact O-CG 3.26Å; I118-E122 PolarHBondContact O-N 3.18Å; I118-E122 VanDerWaalsContact O-N 3.07Å; I118-V137 HydrophobicContact CG2-CB 4.41Å; I118-V137 HydrophobicContact CG2-CG1 3.99Å; I118-V137 HydrophobicContact CG2-CG2 4.21Å; I118-R140 HydrophobicContact CD1-CB 3.9Å; I118-R140 HydrophobicContact CG2-CB 4.33Å; I118-L141 HydrophobicContact CD1-CD2 3.54Å; I118-L141 HydrophobicContact CD1-CG 3.66Å
119V90.3Very high87.4Confident0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-65.9-43.8178.81670000111.2L115 N116 K117 E122 G123 G124 I128 W134 V137 Y157L115-V119 HydrophobicContact CD1-CG2 4.27Å; L115-V119 WeakPolarHBondContact O-CB 3.45Å; L115-V119 VanDerWaalsContact O-CG2 3.25Å; L115-V119 WeakPolarHBondContact O-CG2 3.44Å; L115-V119 PolarHBondContact O-N 3.14Å; N116-V119 PolarHBondContact O-N 2.75Å; N116-V119 VanDerWaalsContact O-N 3.12Å; K117-V119 VanDerWaalsContact C-N 3.3Å; K117-V119 PolarHBondContact O-N 2.88Å; V119-E122 PolarHBondContact O-N 3.47Å; V119-G123 PolarHBondContact O-N 3.35Å; V119-G124 WeakPolarHBondContact O-CA 3.29Å; V119-G124 PolarHBondContact O-N 3.35Å; V119-I128 HydrophobicContact CB-CD1 3.86Å; V119-I128 HydrophobicContact CG1-CD1 3.71Å; V119-I128 HydrophobicContact CG2-CD1 3.76Å; V119-W134 HydrophobicContact CG2-CH2 4.2Å; V119-W134 HydrophobicContact CG2-CZ3 4.24Å; V119-V137 HydrophobicContact CG2-CG1 4.46Å; V119-Y157 HydrophobicContact CB-CE2 3.76Å; V119-Y157 HydrophobicContact CG1-CE1 4.42Å; V119-Y157 HydrophobicContact CG1-CE2 3.76Å; V119-Y157 WeakPolarHBondContact CG1-OH 3.47Å; V119-Y157 HydrophobicContact CG2-CD2 3.99Å; V119-Y157 HydrophobicContact CG2-CE2 3.66Å
120M87.7Confident87.6Confident107 Ų10743.6 Ų43.653%0.52723%0.229SC..Hα-helixtrans-63.9-41.2175.7-67-63.6-83.300112N116 K117 E122 G123N116-M120 VanDerWaalsContact O-CG 3.32Å; N116-M120 WeakPolarHBondContact O-CG 3.47Å; N116-M120 PolarHBondContact O-N 3.05Å; K117-M120 PolarHBondContact O-N 3.17Å; M120-E122 VanDerWaalsContact C-N 3.28Å; M120-E122 PolarHBondContact O-N 2.96Å; M120-G123 PolarHBondContact O-N 2.97Å
121E88.7Confident87.7Confident118 Ų11847.8 Ų47.855%0.55125%0.252SS*.Hα-helixtrans-61.6-33.4174.5-76.5174.1-170.200113.1K117 I118 G123K117-E121 VanDerWaalsContact CE-OE1 3.29Å; K117-E121 WeakPolarHBondContact CE-OE1 3.48Å; K117-E121 WeakPolarHBondContact O-CG 3.34Å; K117-E121 PolarHBondContact O-N 2.99Å; I118-E121 PolarHBondContact O-N 3.34Å; E121-G123 VanDerWaalsContact C-N 3.31Å
122E85.6Confident87.6Confident21 Ų2156.9 Ų56.910%0.09828%0.284CS..THydrogen-bonded Turntrans-88.64.8-179.9-66.7-87.8162.300113.1I118 V119 M120 I128 R133 R136 R140I118-E122 HydrophobicContact CG2-CG 4.48Å; I118-E122 WeakPolarHBondContact O-CG 3.26Å; I118-E122 PolarHBondContact O-N 3.18Å; I118-E122 VanDerWaalsContact O-N 3.07Å; V119-E122 PolarHBondContact O-N 3.47Å; M120-E122 VanDerWaalsContact C-N 3.28Å; M120-E122 PolarHBondContact O-N 2.96Å; E122-I128 HydrophobicContact CB-CD1 3.8Å; E122-I128 HydrophobicContact CB-CG1 3.94Å; E122-R133 PolarHBondContact O-NH1 3.02Å; E122-R133 PolarHBondContact O-NH2 3.25Å; E122-R133 VanDerWaalsContact O-NH2 3.13Å; E122-R133 IonicContact OE2-CZ 3.48Å; E122-R133 IonicContact OE2-NH1 3.14Å; E122-R133 PolarHBondContact OE2-NH1 3.42Å; E122-R136 IonicContact OE1-CZ 3.88Å; E122-R136 IonicContact OE1-NE 3.73Å; E122-R136 PolarHBondContact OE1-NE 3.4Å; E122-R136 VanDerWaalsContact OE1-NE 3.14Å; E122-R136 IonicContact OE1-NH2 3.75Å; E122-R136 PolarHBondContact OE1-NH2 3.15Å; E122-R136 IonicContact OE2-CZ 2.86Å; E122-R136 IonicContact OE2-NE 3.38Å; E122-R136 IonicContact OE2-NH2 3.99Å; E122-R140 IonicContact OE1-NH2 2.71Å
123G81.9Confident87.5Confident56 Ų5660.1 Ų60.158%0.57730%0.296SS*.THydrogen-bonded Turntrans105.118.2172.300000115.7V119 M120 E121 A127V119-G123 PolarHBondContact O-N 3.35Å; M120-G123 PolarHBondContact O-N 2.97Å; E121-G123 VanDerWaalsContact C-N 3.31Å; G123-A127 VanDerWaalsContact O-CB 3.31Å; G123-A127 WeakPolarHBondContact O-CB 3.49Å
124G86Confident87.5Confident10 Ų1058.1 Ų58.110%0.10329%0.288CS..Hα-helixtrans89173177.400000114.2V119 E126 A127 I128V119-G124 WeakPolarHBondContact O-CA 3.29Å; V119-G124 PolarHBondContact O-N 3.35Å; G124-E126 PolarHBondContact O-N 3.34Å; G124-A127 PolarHBondContact O-N 2.88Å; G124-I128 WeakPolarHBondContact O-CG1 3.49Å; G124-I128 PolarHBondContact O-N 3.39Å
125Y86.6Confident87.5Confident16 Ų1659.4 Ų59.46%0.06330%0.301CS..Hα-helixtrans-58.3-43.5-174.1177.1-106.3000113.2C129 W134 R154 Y157 E158 Y162Y125-C129 VanDerWaalsContact CZ-SG 3.52Å; Y125-C129 WeakPolarHBondContact O-CB 3.44Å; Y125-C129 PolarHBondContact O-N 2.89Å; Y125-C129 VanDerWaalsContact O-N 3.09Å; Y125-C129 PolarHBondContact O-SG 3.26Å; Y125-W134 AromaticContact CD2-CH2 3.83Å; Y125-W134 HydrophobicContact CD2-CH2 3.83Å; Y125-W134 AromaticContact CD2-CZ2 3.48Å; Y125-W134 HydrophobicContact CD2-CZ2 3.48Å; Y125-W134 VanDerWaalsContact CD2-CZ2 3.48Å; Y125-W134 AromaticContact CE2-CH2 3.97Å; Y125-W134 HydrophobicContact CE2-CH2 3.97Å; Y125-W134 AromaticContact CE2-CZ2 3.44Å; Y125-W134 HydrophobicContact CE2-CZ2 3.44Å; Y125-W134 VanDerWaalsContact CE2-CZ2 3.44Å; Y125-R154 HydrophobicContact CE2-CG 4.12Å; Y125-Y157 AromaticContact CD2-CD1 3.26Å; Y125-Y157 HydrophobicContact CD2-CD1 3.26Å; Y125-Y157 AromaticContact CD2-CE1 3.65Å; Y125-Y157 HydrophobicContact CD2-CE1 3.65Å; Y125-Y157 HydrophobicContact CD2-CG 4.08Å; Y125-Y157 AromaticContact CE2-CD1 3.85Å; Y125-Y157 HydrophobicContact CE2-CD1 3.85Å; Y125-Y157 HydrophobicContact CE2-CG 4.49Å; Y125-Y157 AromaticContact CG-CD1 4Å; Y125-Y157 HydrophobicContact CG-CD1 4Å; Y125-Y157 AromaticContact CG-CE1 3.95Å; Y125-Y157 HydrophobicContact CG-CE1 3.95Å; Y125-E158 HydrophobicContact CE2-CB 4.33Å; Y125-Y162 AromaticContact CD1-CD2 3.74Å; Y125-Y162 HydrophobicContact CD1-CD2 3.74Å; Y125-Y162 AromaticContact CD1-CE2 3.71Å; Y125-Y162 HydrophobicContact CD1-CE2 3.71Å; Y125-Y162 HydrophobicContact CD1-CG 4.45Å; Y125-Y162 HydrophobicContact CE1-CD2 4.42Å; Y125-Y162 HydrophobicContact CE1-CE2 4.45Å; Y125-Y162 AromaticContact CG-CD2 3.97Å; Y125-Y162 HydrophobicContact CG-CD2 3.97Å; Y125-Y162 HydrophobicContact CG-CE2 4.29Å
126E86.4Confident87.4Confident114 Ų11465 Ų6553%0.53332%0.322SS..Hα-helixtrans-67.3-41.1-176.3-65.9-167.8175.900113G124 C129 K130G124-E126 PolarHBondContact O-N 3.34Å; E126-C129 PolarHBondContact O-N 3.46Å; E126-K130 WeakPolarHBondContact O-CG 3.32Å; E126-K130 PolarHBondContact O-N 2.84Å
127A87.3Confident87.3Confident27 Ų2764 Ų6422%0.22332%0.317CS..Hα-helixtrans-63.4-45.2179.900000111.1G123 G124 C129 K130 D131G123-A127 VanDerWaalsContact O-CB 3.31Å; G123-A127 WeakPolarHBondContact O-CB 3.49Å; G124-A127 PolarHBondContact O-N 2.88Å; A127-C129 VanDerWaalsContact C-N 3.29Å; A127-C129 PolarHBondContact O-N 3.16Å; A127-K130 PolarHBondContact O-N 3.41Å; A127-D131 PolarHBondContact O-N 3.35Å
128I88.2Confident87.2Confident0 Ų059.5 Ų59.50%030%0.298CS..Hα-helixtrans-66.1-34.7178.7-61.7174.3000111.3V119 E122 G124 R132 R133 W134 V137V119-I128 HydrophobicContact CB-CD1 3.86Å; V119-I128 HydrophobicContact CG1-CD1 3.71Å; V119-I128 HydrophobicContact CG2-CD1 3.76Å; E122-I128 HydrophobicContact CB-CD1 3.8Å; E122-I128 HydrophobicContact CB-CG1 3.94Å; G124-I128 WeakPolarHBondContact O-CG1 3.49Å; G124-I128 PolarHBondContact O-N 3.39Å; I128-R132 WeakPolarHBondContact O-CA 3.34Å; I128-R132 PolarHBondContact O-N 3.43Å; I128-R133 HydrophobicContact CG2-CB 4.05Å; I128-R133 PolarHBondContact O-N 3.21Å; I128-R133 VanDerWaalsContact O-N 3.13Å; I128-W134 HydrophobicContact CG2-CD2 3.82Å; I128-W134 HydrophobicContact CG2-CE3 4.49Å; I128-W134 HydrophobicContact CG2-CG 3.9Å; I128-W134 HydrophobicContact CG2-CZ2 4.15Å; I128-V137 HydrophobicContact CD1-CG2 4.14Å; I128-V137 HydrophobicContact CG2-CG2 4.27Å
129C85.5Confident87.2Confident23 Ų2363.7 Ų63.716%0.15532%0.318CS..Hα-helixtrans-66.3-42.1174.8-74.90000112.7Y125 E126 A127 W134 R154Y125-C129 VanDerWaalsContact CZ-SG 3.52Å; Y125-C129 WeakPolarHBondContact O-CB 3.44Å; Y125-C129 PolarHBondContact O-N 2.89Å; Y125-C129 VanDerWaalsContact O-N 3.09Å; Y125-C129 PolarHBondContact O-SG 3.26Å; E126-C129 PolarHBondContact O-N 3.46Å; A127-C129 VanDerWaalsContact C-N 3.29Å; A127-C129 PolarHBondContact O-N 3.16Å; C129-W134 PolarHBondContact SG-NE1 3.36Å; C129-W134 VanDerWaalsContact SG-NE1 3.43Å; C129-R154 VanDerWaalsContact SG-CZ 3.54Å
130K86.8Confident87Confident156 Ų15669.7 Ų69.768%0.67834%0.34SS*.Hα-helixtrans-63.7-44.6176.1-72.5169.9-176.7167.10111.3E126 A127 R132E126-K130 WeakPolarHBondContact O-CG 3.32Å; E126-K130 PolarHBondContact O-N 2.84Å; A127-K130 PolarHBondContact O-N 3.41Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-R132 PolarHBondContact O-N 2.9Å
131D86Confident86.9Confident93 Ų9365.4 Ų65.450%0.49732%0.32SS..THydrogen-bonded Turntrans-88.31.2-174.6-59.4-26.7000114.2A127 R133A127-D131 PolarHBondContact O-N 3.35Å; D131-R133 HydrophobicContact CB-CG 3.72Å; D131-R133 VanDerWaalsContact CB-NE 3.34Å; D131-R133 PolarHBondContact O-N 3.01Å; D131-R133 VanDerWaalsContact O-N 3.12Å; D131-R133 IonicContact OD2-CZ 2.66Å; D131-R133 VanDerWaalsContact OD2-CZ 3.23Å; D131-R133 IonicContact OD2-NE 3.61Å; D131-R133 PolarHBondContact OD2-NE 3.31Å; D131-R133 VanDerWaalsContact OD2-NE 3.08Å; D131-R133 IonicContact OD2-NH2 3.23Å; D131-R133 PolarHBondContact OD2-NH2 3.41Å
132R86.1Confident86.7Confident219 Ų21966.7 Ų66.783%0.82633%0.33SS*.THydrogen-bonded Turntrans51.234.1-176.6-59.1-177.7175.5-173.1-1.1113.5I128 K130 W134I128-R132 WeakPolarHBondContact O-CA 3.34Å; I128-R132 PolarHBondContact O-N 3.43Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-R132 PolarHBondContact O-N 2.9Å; R132-W134 VanDerWaalsContact C-N 3.28Å; R132-W134 PolarHBondContact O-N 3.36Å
133R87.2Confident86.7Confident69 Ų6966.4 Ų66.426%0.2633%0.328SS..THydrogen-bonded Turntrans-80.65-174.5-73.7-172.6-80.1158-3.3114.9E122 I128 D131 A135 R136 V137E122-R133 PolarHBondContact O-NH1 3.02Å; E122-R133 PolarHBondContact O-NH2 3.25Å; E122-R133 VanDerWaalsContact O-NH2 3.13Å; E122-R133 IonicContact OE2-CZ 3.48Å; E122-R133 IonicContact OE2-NH1 3.14Å; E122-R133 PolarHBondContact OE2-NH1 3.42Å; I128-R133 HydrophobicContact CG2-CB 4.05Å; I128-R133 PolarHBondContact O-N 3.21Å; I128-R133 VanDerWaalsContact O-N 3.13Å; D131-R133 HydrophobicContact CB-CG 3.72Å; D131-R133 VanDerWaalsContact CB-NE 3.34Å; D131-R133 PolarHBondContact O-N 3.01Å; D131-R133 VanDerWaalsContact O-N 3.12Å; D131-R133 IonicContact OD2-CZ 2.66Å; D131-R133 VanDerWaalsContact OD2-CZ 3.23Å; D131-R133 IonicContact OD2-NE 3.61Å; D131-R133 PolarHBondContact OD2-NE 3.31Å; D131-R133 VanDerWaalsContact OD2-NE 3.08Å; D131-R133 IonicContact OD2-NH2 3.23Å; D131-R133 PolarHBondContact OD2-NH2 3.41Å; R133-A135 PolarHBondContact O-N 3.15Å; R133-A135 VanDerWaalsContact O-N 3.16Å; R133-R136 WeakPolarHBondContact O-CB 3.25Å; R133-R136 PolarHBondContact O-N 3.18Å; R133-V137 PolarHBondContact O-N 2.99Å
134W89Confident86.7Confident13 Ų1366.5 Ų66.55%0.04932%0.319CS..Hα-helixtrans-57.2-30.9-179.6-73.1100.9000114.9L115 V119 Y125 I128 C129 R132 R136 V137 A138 L153 R154 Y157L115-W134 HydrophobicContact CD1-CZ3 4.39Å; V119-W134 HydrophobicContact CG2-CH2 4.2Å; V119-W134 HydrophobicContact CG2-CZ3 4.24Å; Y125-W134 AromaticContact CD2-CH2 3.83Å; Y125-W134 HydrophobicContact CD2-CH2 3.83Å; Y125-W134 AromaticContact CD2-CZ2 3.48Å; Y125-W134 HydrophobicContact CD2-CZ2 3.48Å; Y125-W134 VanDerWaalsContact CD2-CZ2 3.48Å; Y125-W134 AromaticContact CE2-CH2 3.97Å; Y125-W134 HydrophobicContact CE2-CH2 3.97Å; Y125-W134 AromaticContact CE2-CZ2 3.44Å; Y125-W134 HydrophobicContact CE2-CZ2 3.44Å; Y125-W134 VanDerWaalsContact CE2-CZ2 3.44Å; I128-W134 HydrophobicContact CG2-CD2 3.82Å; I128-W134 HydrophobicContact CG2-CE3 4.49Å; I128-W134 HydrophobicContact CG2-CG 3.9Å; I128-W134 HydrophobicContact CG2-CZ2 4.15Å; C129-W134 PolarHBondContact SG-NE1 3.36Å; C129-W134 VanDerWaalsContact SG-NE1 3.43Å; R132-W134 VanDerWaalsContact C-N 3.28Å; R132-W134 PolarHBondContact O-N 3.36Å; W134-R136 VanDerWaalsContact C-N 3.32Å; W134-V137 PolarHBondContact O-N 3.01Å; W134-A138 PolarHBondContact O-N 3.35Å; W134-L153 HydrophobicContact CE3-CB 4.12Å; W134-L153 HydrophobicContact CZ3-CB 4.33Å; W134-R154 HydrophobicContact CD2-CB 3.69Å; W134-R154 HydrophobicContact CD2-CG 4.26Å; W134-R154 HydrophobicContact CE3-CB 4.1Å; W134-R154 HydrophobicContact CG-CB 4.1Å; W134-R154 HydrophobicContact CH2-CB 4.41Å; W134-R154 HydrophobicContact CZ2-CB 4.04Å; W134-R154 HydrophobicContact CZ2-CG 3.89Å; W134-R154 HydrophobicContact CZ3-CB 4.43Å; W134-Y157 HydrophobicContact CH2-CD1 4.34Å; W134-Y157 HydrophobicContact CH2-CD2 4.11Å; W134-Y157 AromaticContact CH2-CG 3.79Å; W134-Y157 HydrophobicContact CH2-CG 3.79Å; W134-Y157 HydrophobicContact CZ3-CG 4.45Å
135A88.4Confident86.1Confident63 Ų6370.7 Ų70.752%0.52135%0.346SS..Hα-helixtrans-65.5-36.1174.600000112.3R133 A138 Q139R133-A135 PolarHBondContact O-N 3.15Å; R133-A135 VanDerWaalsContact O-N 3.16Å; A135-A138 PolarHBondContact O-N 3.13Å; A135-Q139 WeakPolarHBondContact O-CG 3.46Å; A135-Q139 PolarHBondContact O-N 3.46Å; A135-Q139 VanDerWaalsContact O-N 3.15Å
136R86.9Confident85.2Confident117 Ų11773.9 Ų73.944%0.44238%0.384SS..Hα-helixtrans-71.4-37.2176.3178.9177156.6156.6-7.1111.6E122 R133 W134 A138 Q139 R140E122-R136 IonicContact OE1-CZ 3.88Å; E122-R136 IonicContact OE1-NE 3.73Å; E122-R136 PolarHBondContact OE1-NE 3.4Å; E122-R136 VanDerWaalsContact OE1-NE 3.14Å; E122-R136 IonicContact OE1-NH2 3.75Å; E122-R136 PolarHBondContact OE1-NH2 3.15Å; E122-R136 IonicContact OE2-CZ 2.86Å; E122-R136 IonicContact OE2-NE 3.38Å; E122-R136 IonicContact OE2-NH2 3.99Å; R133-R136 WeakPolarHBondContact O-CB 3.25Å; R133-R136 PolarHBondContact O-N 3.18Å; W134-R136 VanDerWaalsContact C-N 3.32Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-Q139 PolarHBondContact O-N 3.28Å; R136-R140 WeakPolarHBondContact O-CG 3.32Å; R136-R140 PolarHBondContact O-N 3.39Å
137V88.9Confident84.5Confident1 Ų174.4 Ų74.41%0.00639%0.385CS..Hα-helixtrans-60.8-43.7172.1179.10000110.8L115 I118 V119 I128 R133 W134 Q139 R140 L141L115-V137 HydrophobicContact CD1-CG1 3.76Å; I118-V137 HydrophobicContact CG2-CB 4.41Å; I118-V137 HydrophobicContact CG2-CG1 3.99Å; I118-V137 HydrophobicContact CG2-CG2 4.21Å; V119-V137 HydrophobicContact CG2-CG1 4.46Å; I128-V137 HydrophobicContact CD1-CG2 4.14Å; I128-V137 HydrophobicContact CG2-CG2 4.27Å; R133-V137 PolarHBondContact O-N 2.99Å; W134-V137 PolarHBondContact O-N 3.01Å; V137-Q139 VanDerWaalsContact C-N 3.34Å; V137-Q139 PolarHBondContact O-N 3.18Å; V137-R140 PolarHBondContact O-N 2.93Å; V137-L141 HydrophobicContact CG1-CD1 4.17Å; V137-L141 PolarHBondContact O-N 3.29Å
138A88.9Confident84.3Confident7 Ų779.9 Ų79.96%0.05841%0.41CS..Hα-helixtrans-60.8-42.1176.200000112.4W134 A135 R136 L141 N142 Y143 I149 L153W134-A138 PolarHBondContact O-N 3.35Å; A135-A138 PolarHBondContact O-N 3.13Å; R136-A138 VanDerWaalsContact C-N 3.34Å; A138-L141 PolarHBondContact O-N 2.96Å; A138-N142 PolarHBondContact O-N 3.35Å; A138-Y143 WeakPolarHBondContact O-CB 3.25Å; A138-Y143 PolarHBondContact O-N 3.35Å; A138-I149 HydrophobicContact CB-CB 4.47Å; A138-I149 HydrophobicContact CB-CG2 4Å; A138-L153 HydrophobicContact CB-CD1 3.73Å
139Q88.3Confident84.1Confident108 Ų10880.4 Ų80.451%0.50541%0.413SS..Hα-helixtrans-63.5-42.9176.4-72.4172.7-2100112.2A135 R136 V137 L141 N142A135-Q139 WeakPolarHBondContact O-CG 3.46Å; A135-Q139 PolarHBondContact O-N 3.46Å; A135-Q139 VanDerWaalsContact O-N 3.15Å; R136-Q139 PolarHBondContact O-N 3.28Å; V137-Q139 VanDerWaalsContact C-N 3.34Å; V137-Q139 PolarHBondContact O-N 3.18Å; Q139-L141 VanDerWaalsContact C-N 3.26Å; Q139-L141 PolarHBondContact O-N 3.16Å; Q139-N142 PolarHBondContact O-N 2.87Å
140R87.2Confident84.2Confident125 Ų12579.8 Ų79.847%0.47241%0.41SS..Hα-helixtrans-62.1-31.9175.4-75.8-86.4-172.2100.4-0.3112.7I118 E122 R136 V137 N142I118-R140 HydrophobicContact CD1-CB 3.9Å; I118-R140 HydrophobicContact CG2-CB 4.33Å; E122-R140 IonicContact OE1-NH2 2.71Å; R136-R140 WeakPolarHBondContact O-CG 3.32Å; R136-R140 PolarHBondContact O-N 3.39Å; V137-R140 PolarHBondContact O-N 2.93Å; R140-N142 PolarHBondContact O-N 3.38Å
141L85.1Confident84.2Confident18 Ų1875.9 Ų75.99%0.09440%0.403CS..THydrogen-bonded Turntrans-80.36.9174.7-72.9170.4000113.7L115 I118 V137 A138 Q139 Y143 L153L115-L141 HydrophobicContact CB-CD1 4.17Å; L115-L141 HydrophobicContact CD1-CD1 3.71Å; I118-L141 HydrophobicContact CD1-CD2 3.54Å; I118-L141 HydrophobicContact CD1-CG 3.66Å; V137-L141 HydrophobicContact CG1-CD1 4.17Å; V137-L141 PolarHBondContact O-N 3.29Å; A138-L141 PolarHBondContact O-N 2.96Å; Q139-L141 VanDerWaalsContact C-N 3.26Å; Q139-L141 PolarHBondContact O-N 3.16Å; L141-Y143 VanDerWaalsContact C-N 3.29Å; L141-Y143 HydrophobicContact CB-CD2 3.67Å; L141-Y143 HydrophobicContact CB-CE2 3.77Å; L141-Y143 HydrophobicContact CD1-CE2 4.19Å; L141-Y143 PolarHBondContact O-N 3.1Å; L141-L153 HydrophobicContact CD1-CD1 4.13Å
142N84.6Confident84.4Confident144 Ų14474.7 Ų74.777%0.7740%0.396SS*.THydrogen-bonded Turntrans6231-177.7-57.5-58.1000113.9A138 Q139 R140A138-N142 PolarHBondContact O-N 3.35Å; Q139-N142 PolarHBondContact O-N 2.87Å; R140-N142 PolarHBondContact O-N 3.38Å
143Y86.3Confident84.6Confident16 Ų1664.3 Ų64.36%0.06336%0.357CS..PPolyproline II helixtrans-85145.1167-68.7-67.8000110.6V105 E106 A138 L141 I149 L153V105-Y143 HydrophobicContact CB-CE1 4.04Å; V105-Y143 HydrophobicContact CG1-CD1 4.17Å; V105-Y143 HydrophobicContact CG1-CE1 3.7Å; V105-Y143 HydrophobicContact CG1-CE2 4.43Å; E106-Y143 HydrophobicContact CB-CD1 4.33Å; E106-Y143 HydrophobicContact CB-CE1 4.42Å; A138-Y143 WeakPolarHBondContact O-CB 3.25Å; A138-Y143 PolarHBondContact O-N 3.35Å; L141-Y143 VanDerWaalsContact C-N 3.29Å; L141-Y143 HydrophobicContact CB-CD2 3.67Å; L141-Y143 HydrophobicContact CB-CE2 3.77Å; L141-Y143 HydrophobicContact CD1-CE2 4.19Å; L141-Y143 PolarHBondContact O-N 3.1Å; Y143-I149 HydrophobicContact CD2-CG2 4.12Å; Y143-I149 HydrophobicContact CG-CD1 4.46Å; Y143-I149 HydrophobicContact CG-CG2 4.01Å; Y143-L153 HydrophobicContact CD2-CD1 4.34Å; Y143-L153 HydrophobicContact CE2-CD2 4.24Å
144P81.7Confident84.7Confident58 Ų5865.7 Ų65.738%0.37736%0.362SS..PPolyproline II helixtrans-66.5136.2179.424.6-27.9000111.2E106 I149E106-P144 VanDerWaalsContact CD-CG 3.44Å; E106-P144 WeakPolarHBondContact OE1-CG 3.3Å; E106-P144 WeakPolarHBondContact OE2-CD 3.5Å; E106-P144 VanDerWaalsContact OE2-CG 3.25Å; E106-P144 WeakPolarHBondContact OE2-CG 3.33Å; P144-I149 HydrophobicContact CG-CD1 4.39Å
145S72.9Confident84.8Confident97 Ų9768 Ų6868%0.67838%0.38SS*.THydrogen-bonded Turntrans-69.2140.6174.244.70000111
146G66.8Low84.9Confident83 Ų8366.1 Ų66.186%0.85636%0.361SS*.THydrogen-bonded Turntrans108.1-6.2173.300000116.3
147K72.4Confident85.1Confident126 Ų12660.6 Ų60.655%0.54834%0.34SS..SBendtrans-97155.9164.9-68.2175.7-172.7168.60109.3E106 I149E106-K147 IonicContact OE1-NZ 3.77Å; E106-K147 PolarHBondContact OE1-NZ 3.31Å; K147-I149 HydrophobicContact CB-CD1 3.77Å; K147-I149 HydrophobicContact CB-CG1 3.68Å; K147-I149 HydrophobicContact CD-CD1 4.25Å; K147-I149 PolarHBondContact O-N 2.92Å
148N82.3Confident85.1Confident142 Ų14265.1 Ų65.176%0.75936%0.361SS*.THydrogen-bonded Turntrans-6938.4176-67.4-23.8000113.2S151 L152N148-S151 PolarHBondContact O-OG 3.34Å; N148-L152 PolarHBondContact O-N 3.36Å
149I85.2Confident85.1Confident10 Ų1070.4 Ų70.45%0.05138%0.379CS..Hα-helixtrans-70-36.7-177.7-62.7170.6000110V105 A138 Y143 P144 K147 S151 L152 L153V105-I149 HydrophobicContact CG1-CG2 3.95Å; A138-I149 HydrophobicContact CB-CB 4.47Å; A138-I149 HydrophobicContact CB-CG2 4Å; Y143-I149 HydrophobicContact CD2-CG2 4.12Å; Y143-I149 HydrophobicContact CG-CD1 4.46Å; Y143-I149 HydrophobicContact CG-CG2 4.01Å; P144-I149 HydrophobicContact CG-CD1 4.39Å; K147-I149 HydrophobicContact CB-CD1 3.77Å; K147-I149 HydrophobicContact CB-CG1 3.68Å; K147-I149 HydrophobicContact CD-CD1 4.25Å; K147-I149 PolarHBondContact O-N 2.92Å; I149-S151 PolarHBondContact O-N 2.9Å; I149-L152 WeakPolarHBondContact O-CB 3.32Å; I149-L152 PolarHBondContact O-N 3.22Å; I149-L152 VanDerWaalsContact O-N 3.13Å; I149-L153 HydrophobicContact CG2-CD1 3.97Å; I149-L153 HydrophobicContact CG2-CG 3.97Å; I149-L153 WeakPolarHBondContact O-CB 3.29Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.47Å; I149-L153 PolarHBondContact O-N 3.43Å
150G87.2Confident85.2Confident10 Ų1065.3 Ų65.310%0.10336%0.356CS..Hα-helixtrans-57.8-46.9177.300000112.9L152 L153 R154G150-L152 VanDerWaalsContact C-N 3.34Å; G150-L152 PolarHBondContact O-N 2.8Å; G150-L153 PolarHBondContact O-N 2.86Å; G150-R154 PolarHBondContact O-N 3.47Å
151S87.6Confident85.3Confident75 Ų7559.4 Ų59.452%0.52433%0.333SS..Hα-helixtrans-66.8-34.4175.345.60000112.9N148 I149 R154 S155N148-S151 PolarHBondContact O-OG 3.34Å; I149-S151 PolarHBondContact O-N 2.9Å; S151-R154 PolarHBondContact O-N 3.07Å; S151-S155 PolarHBondContact O-N 3.42Å
152L89.4Confident85.5Confident68 Ų6861.7 Ų61.736%0.35634%0.341SS..Hα-helixtrans-67.9-44176.7-175.865.3000111.6V105 N148 I149 G150 R154 S155 H156V105-L152 HydrophobicContact CG1-CD2 4.15Å; V105-L152 HydrophobicContact CG2-CD2 4.07Å; N148-L152 PolarHBondContact O-N 3.36Å; I149-L152 WeakPolarHBondContact O-CB 3.32Å; I149-L152 PolarHBondContact O-N 3.22Å; I149-L152 VanDerWaalsContact O-N 3.13Å; G150-L152 VanDerWaalsContact C-N 3.34Å; G150-L152 PolarHBondContact O-N 2.8Å; L152-R154 VanDerWaalsContact C-N 3.32Å; L152-R154 PolarHBondContact O-N 3.33Å; L152-S155 PolarHBondContact O-N 3.48Å; L152-H156 WeakPolarHBondContact CD1-NE2 3.34Å; L152-H156 PolarHBondContact O-N 3.44Å
153L89.4Confident85.7Confident0 Ų056.9 Ų56.90%032%0.318CS..Hα-helixtrans-60.5-42.7175.1-70.9177.8000110.9V105 L110 L115 W134 A138 L141 Y143 I149 G150 H156 Y157V105-L153 HydrophobicContact CG2-CD2 4.46Å; L110-L153 HydrophobicContact CD1-CD2 3.5Å; L110-L153 HydrophobicContact CD2-CD2 4.47Å; L115-L153 HydrophobicContact CD2-CD2 4.48Å; W134-L153 HydrophobicContact CE3-CB 4.12Å; W134-L153 HydrophobicContact CZ3-CB 4.33Å; A138-L153 HydrophobicContact CB-CD1 3.73Å; L141-L153 HydrophobicContact CD1-CD1 4.13Å; Y143-L153 HydrophobicContact CD2-CD1 4.34Å; Y143-L153 HydrophobicContact CE2-CD2 4.24Å; I149-L153 HydrophobicContact CG2-CD1 3.97Å; I149-L153 HydrophobicContact CG2-CG 3.97Å; I149-L153 WeakPolarHBondContact O-CB 3.29Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.47Å; I149-L153 PolarHBondContact O-N 3.43Å; G150-L153 PolarHBondContact O-N 2.86Å; L153-H156 PolarHBondContact O-N 3.48Å; L153-Y157 VanDerWaalsContact O-CB 3.28Å; L153-Y157 WeakPolarHBondContact O-CB 3.49Å; L153-Y157 PolarHBondContact O-N 2.86Å
154R89.7Confident85.8Confident99 Ų9956.4 Ų56.437%0.37432%0.316SS..Hα-helixtrans-56.3-51.9173.5-177.2-178.9174.5164.6-0.9111.6Y125 C129 W134 G150 S151 L152 H156 Y157 E158Y125-R154 HydrophobicContact CE2-CG 4.12Å; C129-R154 VanDerWaalsContact SG-CZ 3.54Å; W134-R154 HydrophobicContact CD2-CB 3.69Å; W134-R154 HydrophobicContact CD2-CG 4.26Å; W134-R154 HydrophobicContact CE3-CB 4.1Å; W134-R154 HydrophobicContact CG-CB 4.1Å; W134-R154 HydrophobicContact CH2-CB 4.41Å; W134-R154 HydrophobicContact CZ2-CB 4.04Å; W134-R154 HydrophobicContact CZ2-CG 3.89Å; W134-R154 HydrophobicContact CZ3-CB 4.43Å; G150-R154 PolarHBondContact O-N 3.47Å; S151-R154 PolarHBondContact O-N 3.07Å; L152-R154 VanDerWaalsContact C-N 3.32Å; L152-R154 PolarHBondContact O-N 3.33Å; R154-H156 VanDerWaalsContact C-N 3.3Å; R154-H156 PolarHBondContact O-N 3.31Å; R154-Y157 PolarHBondContact O-N 2.67Å; R154-E158 WeakPolarHBondContact O-CB 3.06Å; R154-E158 PolarHBondContact O-N 2.99Å
155S90.6Very high86Confident62 Ų6255.3 Ų55.343%0.43431%0.306SS..Hα-helixtrans-60.7-38.5179.7176.60000112.5S151 L152 R159S151-S155 PolarHBondContact O-N 3.42Å; L152-S155 PolarHBondContact O-N 3.48Å; S155-R159 VanDerWaalsContact O-CB 3.29Å; S155-R159 WeakPolarHBondContact O-CB 3.43Å; S155-R159 PolarHBondContact O-N 2.96Å; S155-R159 VanDerWaalsContact O-N 3.16Å
156H90.8Very high86.6Confident23 Ų2353.2 Ų53.211%0.10629%0.286CS..Hα-helixtrans-71.6-38.1175.9-70.3-22.2000113.1P103 L110 L152 L153 R154 R159 I160P103-H156 HydrophobicContact CG-CB 4.26Å; P103-H156 VanDerWaalsContact CG-CD2 3.46Å; P103-H156 WeakPolarHBondContact CG-CD2 3.39Å; L110-H156 HydrophobicContact CD2-CB 3.88Å; L152-H156 WeakPolarHBondContact CD1-NE2 3.34Å; L152-H156 PolarHBondContact O-N 3.44Å; L153-H156 PolarHBondContact O-N 3.48Å; R154-H156 VanDerWaalsContact C-N 3.3Å; R154-H156 PolarHBondContact O-N 3.31Å; H156-R159 PolarHBondContact O-N 2.95Å; H156-I160 WeakPolarHBondContact O-CB 3.43Å; H156-I160 PolarHBondContact O-N 3.25Å
157Y90.9Very high87.5Confident0 Ų055.2 Ų55.20%027%0.272CS..Iπ-helixtrans-62.1-52.2176.1-168.4-76.5000110.6L115 N116 V119 Y125 W134 L153 R154 R159 I160 I161 Y162 E165L115-Y157 HydrophobicContact CD1-CD2 4.44Å; L115-Y157 HydrophobicContact CD2-CD2 3.97Å; L115-Y157 HydrophobicContact CG-CD2 3.88Å; L115-Y157 HydrophobicContact CG-CE2 4.46Å; N116-Y157 PolarHBondContact OD1-OH 3Å; V119-Y157 HydrophobicContact CB-CE2 3.76Å; V119-Y157 HydrophobicContact CG1-CE1 4.42Å; V119-Y157 HydrophobicContact CG1-CE2 3.76Å; V119-Y157 WeakPolarHBondContact CG1-OH 3.47Å; V119-Y157 HydrophobicContact CG2-CD2 3.99Å; V119-Y157 HydrophobicContact CG2-CE2 3.66Å; Y125-Y157 AromaticContact CD2-CD1 3.26Å; Y125-Y157 HydrophobicContact CD2-CD1 3.26Å; Y125-Y157 AromaticContact CD2-CE1 3.65Å; Y125-Y157 HydrophobicContact CD2-CE1 3.65Å; Y125-Y157 HydrophobicContact CD2-CG 4.08Å; Y125-Y157 AromaticContact CE2-CD1 3.85Å; Y125-Y157 HydrophobicContact CE2-CD1 3.85Å; Y125-Y157 HydrophobicContact CE2-CG 4.49Å; Y125-Y157 AromaticContact CG-CD1 4Å; Y125-Y157 HydrophobicContact CG-CD1 4Å; Y125-Y157 AromaticContact CG-CE1 3.95Å; Y125-Y157 HydrophobicContact CG-CE1 3.95Å; W134-Y157 HydrophobicContact CH2-CD1 4.34Å; W134-Y157 HydrophobicContact CH2-CD2 4.11Å; W134-Y157 AromaticContact CH2-CG 3.79Å; W134-Y157 HydrophobicContact CH2-CG 3.79Å; W134-Y157 HydrophobicContact CZ3-CG 4.45Å; L153-Y157 VanDerWaalsContact O-CB 3.28Å; L153-Y157 WeakPolarHBondContact O-CB 3.49Å; L153-Y157 PolarHBondContact O-N 2.86Å; R154-Y157 PolarHBondContact O-N 2.67Å; Y157-R159 VanDerWaalsContact C-N 3.27Å; Y157-R159 PolarHBondContact O-N 3.14Å; Y157-I160 PolarHBondContact O-N 3Å; Y157-I161 HydrophobicContact CD1-CB 4.28Å; Y157-I161 HydrophobicContact CD2-CB 4.07Å; Y157-I161 HydrophobicContact CD2-CD1 3.76Å; Y157-I161 HydrophobicContact CD2-CG1 4.48Å; Y157-I161 HydrophobicContact CD2-CG2 4.21Å; Y157-I161 HydrophobicContact CE1-CB 4.23Å; Y157-I161 HydrophobicContact CE1-CG2 4.02Å; Y157-I161 HydrophobicContact CE2-CB 4.05Å; Y157-I161 HydrophobicContact CE2-CD1 4.01Å; Y157-I161 HydrophobicContact CE2-CG2 3.66Å; Y157-I161 HydrophobicContact CG-CB 4.2Å; Y157-I161 HydrophobicContact CG-CD1 4.46Å; Y157-I161 WeakPolarHBondContact O-CA 3.5Å; Y157-I161 PolarHBondContact O-N 3.33Å; Y157-Y162 PolarHBondContact O-N 3.4Å; Y157-E165 VanDerWaalsContact CE1-OE2 3.23Å; Y157-E165 WeakPolarHBondContact CE1-OE2 3.44Å; Y157-E165 VanDerWaalsContact CZ-OE2 3.3Å; Y157-E165 PolarHBondContact OH-OE2 2.98Å
158E90.7Very high87.9Confident97 Ų9754.5 Ų54.545%0.45327%0.27SS..Iπ-helixtrans-58.3-39.2179.3-176.6170.9-145.600112.4Y125 R154 P163Y125-E158 HydrophobicContact CE2-CB 4.33Å; R154-E158 WeakPolarHBondContact O-CB 3.06Å; R154-E158 PolarHBondContact O-N 2.99Å; E158-P163 WeakPolarHBondContact O-CD 3.38Å
159R88.8Confident87.6Confident117 Ų11751.6 Ų51.644%0.44226%0.261SS..Iπ-helixtrans-78.1-35.6-178.5-173.517957.871.4-1.2113.8W93 S155 H156 Y157W93-R159 WeakPolarHBondContact CH2-O 3.45Å; W93-R159 VanDerWaalsContact CZ2-O 3.27Å; W93-R159 WeakPolarHBondContact CZ2-O 3.45Å; S155-R159 VanDerWaalsContact O-CB 3.29Å; S155-R159 WeakPolarHBondContact O-CB 3.43Å; S155-R159 PolarHBondContact O-N 2.96Å; S155-R159 VanDerWaalsContact O-N 3.16Å; H156-R159 PolarHBondContact O-N 2.95Å; Y157-R159 VanDerWaalsContact C-N 3.27Å; Y157-R159 PolarHBondContact O-N 3.14Å
160I88.8Confident86.6Confident2 Ų254.2 Ų54.21%0.0129%0.29CS..Iπ-helixtrans-109.1-50.4-169.2-61.6167.2000112.3I89 W93 L100 P103 L112 H156 Y157I89-I160 HydrophobicContact CD1-CG2 4.08Å; W93-I160 WeakPolarHBondContact CZ2-O 3.41Å; W93-I160 PolarHBondContact NE1-O 3.06Å; W93-I160 VanDerWaalsContact NE1-O 3.15Å; L100-I160 HydrophobicContact CD1-CG2 3.49Å; L100-I160 VanDerWaalsContact CD1-CG2 3.49Å; P103-I160 HydrophobicContact CG-CD1 4.05Å; L112-I160 HydrophobicContact CD1-CG2 4.04Å; L112-I160 HydrophobicContact CD2-CG2 4.3Å; H156-I160 WeakPolarHBondContact O-CB 3.43Å; H156-I160 PolarHBondContact O-N 3.25Å; Y157-I160 PolarHBondContact O-N 3Å
161I90.4Very high85Confident0 Ų056.2 Ų56.20%031%0.306CS..Iπ-helixtrans-90.8-41.4-167.6-62173.5000110.5I89 L112 L115 N116 Y157 Y164 E165I89-I161 HydrophobicContact CD1-CG1 4.31Å; L112-I161 HydrophobicContact CB-CD1 4.17Å; L112-I161 HydrophobicContact CD2-CD1 3.98Å; L112-I161 HydrophobicContact CD2-CG1 4.18Å; L115-I161 HydrophobicContact CB-CD1 4.41Å; L115-I161 HydrophobicContact CD2-CD1 3.75Å; L115-I161 HydrophobicContact CG-CD1 4.12Å; N116-I161 HydrophobicContact CB-CG2 4.24Å; Y157-I161 HydrophobicContact CD1-CB 4.28Å; Y157-I161 HydrophobicContact CD2-CB 4.07Å; Y157-I161 HydrophobicContact CD2-CD1 3.76Å; Y157-I161 HydrophobicContact CD2-CG1 4.48Å; Y157-I161 HydrophobicContact CD2-CG2 4.21Å; Y157-I161 HydrophobicContact CE1-CB 4.23Å; Y157-I161 HydrophobicContact CE1-CG2 4.02Å; Y157-I161 HydrophobicContact CE2-CB 4.05Å; Y157-I161 HydrophobicContact CE2-CD1 4.01Å; Y157-I161 HydrophobicContact CE2-CG2 3.66Å; Y157-I161 HydrophobicContact CG-CB 4.2Å; Y157-I161 HydrophobicContact CG-CD1 4.46Å; Y157-I161 WeakPolarHBondContact O-CA 3.5Å; Y157-I161 PolarHBondContact O-N 3.33Å; I161-Y164 CarbonylContact O-C 3.57Å; I161-Y164 WeakPolarHBondContact O-CA 3.38Å; I161-Y164 WeakPolarHBondContact O-CB 3.32Å; I161-Y164 PolarHBondContact O-N 3.28Å; I161-E165 PolarHBondContact O-N 3.4Å
162Y88.6Confident82.9Confident67 Ų6760.3 Ų60.326%0.26332%0.322SS..Hα-helixtrans-57.6-43.7-175.5-175.3-109.9000113.8Y125 Y157 Y164 E165 I166Y125-Y162 AromaticContact CD1-CD2 3.74Å; Y125-Y162 HydrophobicContact CD1-CD2 3.74Å; Y125-Y162 AromaticContact CD1-CE2 3.71Å; Y125-Y162 HydrophobicContact CD1-CE2 3.71Å; Y125-Y162 HydrophobicContact CD1-CG 4.45Å; Y125-Y162 HydrophobicContact CE1-CD2 4.42Å; Y125-Y162 HydrophobicContact CE1-CE2 4.45Å; Y125-Y162 AromaticContact CG-CD2 3.97Å; Y125-Y162 HydrophobicContact CG-CD2 3.97Å; Y125-Y162 HydrophobicContact CG-CE2 4.29Å; Y157-Y162 PolarHBondContact O-N 3.4Å; Y162-Y164 VanDerWaalsContact C-N 3.25Å; Y162-Y164 PolarHBondContact O-N 3.08Å; Y162-E165 WeakPolarHBondContact O-CB 3.4Å; Y162-E165 PolarHBondContact O-N 3.26Å; Y162-E165 VanDerWaalsContact O-N 3.16Å; Y162-I166 HydrophobicContact CD1-CG1 4.43Å; Y162-I166 HydrophobicContact CD2-CG1 4.43Å; Y162-I166 HydrophobicContact CE1-CD1 4.5Å; Y162-I166 HydrophobicContact CE1-CG1 4.08Å; Y162-I166 HydrophobicContact CE2-CD1 3.91Å; Y162-I166 HydrophobicContact CE2-CG1 4.09Å; Y162-I166 WeakPolarHBondContact O-CG1 3.33Å; Y162-I166 PolarHBondContact O-N 3.46Å
163P89.1Confident80.9Confident42 Ų4261.4 Ų61.427%0.27333%0.328SS..Hα-helixtrans-59.7-36.6175.1-24.536000113.1F92 W93 E158 F167F92-P163 HydrophobicContact CE1-CB 4.02Å; F92-P163 HydrophobicContact CZ-CB 4.12Å; W93-P163 HydrophobicContact CH2-CB 4.45Å; W93-P163 HydrophobicContact CH2-CG 4.13Å; W93-P163 HydrophobicContact CZ2-CB 4.3Å; W93-P163 HydrophobicContact CZ2-CG 4.05Å; E158-P163 WeakPolarHBondContact O-CD 3.38Å; P163-F167 WeakPolarHBondContact O-CB 3.43Å; P163-F167 PolarHBondContact O-N 3.49Å; P163-F167 VanDerWaalsContact O-N 3.1Å
164Y88.6Confident78.5Confident7 Ų768 Ų683%0.02737%0.368CS..Hα-helixtrans-73.2-36.4176.9177.4-102.2000112.3Y85 Q88 I89 F92 I161 Y162 F167 Q168Y85-Y164 HydrophobicContact CD2-CE1 4.31Å; Y85-Y164 HydrophobicContact CE2-CD1 4.2Å; Y85-Y164 AromaticContact CE2-CE1 3.64Å; Y85-Y164 HydrophobicContact CE2-CE1 3.64Å; Q88-Y164 HydrophobicContact CB-CE2 4.38Å; Q88-Y164 VanDerWaalsContact CB-OH 3.29Å; Q88-Y164 WeakPolarHBondContact CB-OH 3.36Å; Q88-Y164 PolarHBondContact OE1-OH 3.44Å; I89-Y164 HydrophobicContact CB-CD1 4.3Å; I89-Y164 HydrophobicContact CB-CD2 4.3Å; I89-Y164 HydrophobicContact CB-CE1 4.45Å; I89-Y164 HydrophobicContact CB-CE2 4.45Å; I89-Y164 HydrophobicContact CB-CG 4.22Å; I89-Y164 HydrophobicContact CD1-CD1 4.14Å; I89-Y164 HydrophobicContact CD1-CG 4.14Å; I89-Y164 HydrophobicContact CG1-CD1 4.17Å; I89-Y164 HydrophobicContact CG1-CD2 4.2Å; I89-Y164 HydrophobicContact CG1-CG 3.84Å; F92-Y164 HydrophobicContact CB-CD2 3.67Å; F92-Y164 HydrophobicContact CB-CE2 4.12Å; F92-Y164 HydrophobicContact CD1-CD2 4.08Å; F92-Y164 HydrophobicContact CD2-CD2 4.24Å; F92-Y164 AromaticContact CG-CD2 3.73Å; F92-Y164 HydrophobicContact CG-CD2 3.73Å; I161-Y164 CarbonylContact O-C 3.57Å; I161-Y164 WeakPolarHBondContact O-CA 3.38Å; I161-Y164 WeakPolarHBondContact O-CB 3.32Å; I161-Y164 PolarHBondContact O-N 3.28Å; Y162-Y164 VanDerWaalsContact C-N 3.25Å; Y162-Y164 PolarHBondContact O-N 3.08Å; Y164-F167 HydrophobicContact CD2-CD1 4.42Å; Y164-F167 HydrophobicContact CE2-CD1 4.48Å; Y164-F167 WeakPolarHBondContact O-CB 3.47Å; Y164-F167 PolarHBondContact O-N 3Å; Y164-Q168 WeakPolarHBondContact O-CB 3.41Å; Y164-Q168 PolarHBondContact O-N 2.84Å; Y164-Q168 PolarHBondContact OH-NE2 2.99Å; Y164-Q168 PolarHBondContact OH-OE1 2.7Å
165E86.4Confident76.2Confident35 Ų3571 Ų7116%0.16439%0.386CS..Hα-helixtrans-63.7-41.3174.6-173.7-175.4168.900111.7Y157 I161 Y162 Q168 S169Y157-E165 VanDerWaalsContact CE1-OE2 3.23Å; Y157-E165 WeakPolarHBondContact CE1-OE2 3.44Å; Y157-E165 VanDerWaalsContact CZ-OE2 3.3Å; Y157-E165 PolarHBondContact OH-OE2 2.98Å; I161-E165 PolarHBondContact O-N 3.4Å; Y162-E165 WeakPolarHBondContact O-CB 3.4Å; Y162-E165 PolarHBondContact O-N 3.26Å; Y162-E165 VanDerWaalsContact O-N 3.16Å; E165-Q168 PolarHBondContact O-N 3.3Å; E165-S169 WeakPolarHBondContact O-CB 3.36Å; E165-S169 PolarHBondContact O-N 2.99Å; E165-S169 PolarHBondContact O-OG 3.31Å
166I85.8Confident73.4Confident52 Ų5272.9 Ų72.927%0.26740%0.398SS..Hα-helixtrans-65.5-44.5174.6-63.1-58.7000110.9Y162 Q168 S169 G170 A171Y162-I166 HydrophobicContact CD1-CG1 4.43Å; Y162-I166 HydrophobicContact CD2-CG1 4.43Å; Y162-I166 HydrophobicContact CE1-CD1 4.5Å; Y162-I166 HydrophobicContact CE1-CG1 4.08Å; Y162-I166 HydrophobicContact CE2-CD1 3.91Å; Y162-I166 HydrophobicContact CE2-CG1 4.09Å; Y162-I166 WeakPolarHBondContact O-CG1 3.33Å; Y162-I166 PolarHBondContact O-N 3.46Å; I166-Q168 VanDerWaalsContact C-N 3.3Å; I166-Q168 PolarHBondContact O-N 3.08Å; I166-S169 WeakPolarHBondContact CA-OG 3.17Å; I166-S169 PolarHBondContact O-N 3.06Å; I166-S169 PolarHBondContact O-OG 3.33Å; I166-S169 VanDerWaalsContact O-OG 3.07Å; I166-G170 PolarHBondContact O-N 3.12Å; I166-A171 HydrophobicContact CG2-CB 4.21Å
167F84.7Confident70.9Confident126 Ų12678.9 Ų78.955%0.55343%0.431SS*.Hα-helixtrans-57.8-42.8174173.6-101.2000112F92 P163 Y164F92-F167 HydrophobicContact CD2-CB 4.19Å; F92-F167 AromaticContact CD2-CD1 3.89Å; F92-F167 HydrophobicContact CD2-CD1 3.89Å; F92-F167 HydrophobicContact CD2-CD2 4.27Å; F92-F167 HydrophobicContact CD2-CE1 4.35Å; F92-F167 AromaticContact CD2-CG 3.85Å; F92-F167 HydrophobicContact CD2-CG 3.85Å; F92-F167 HydrophobicContact CE2-CB 3.67Å; F92-F167 HydrophobicContact CE2-CD1 4.22Å; F92-F167 HydrophobicContact CE2-CD2 4.01Å; F92-F167 AromaticContact CE2-CG 3.7Å; F92-F167 HydrophobicContact CE2-CG 3.7Å; F92-F167 HydrophobicContact CZ-CB 4.34Å; P163-F167 WeakPolarHBondContact O-CB 3.43Å; P163-F167 PolarHBondContact O-N 3.49Å; P163-F167 VanDerWaalsContact O-N 3.1Å; Y164-F167 HydrophobicContact CD2-CD1 4.42Å; Y164-F167 HydrophobicContact CE2-CD1 4.48Å; Y164-F167 WeakPolarHBondContact O-CB 3.47Å; Y164-F167 PolarHBondContact O-N 3Å
168Q80.8Confident68.3Low110 Ų11085.2 Ų85.251%0.51447%0.47SS..Hα-helixtrans-76.8-27.1-177.5-166.6149.744.900113.6Y164 E165 I166 G170Y164-Q168 WeakPolarHBondContact O-CB 3.41Å; Y164-Q168 PolarHBondContact O-N 2.84Å; Y164-Q168 PolarHBondContact OH-NE2 2.99Å; Y164-Q168 PolarHBondContact OH-OE1 2.7Å; E165-Q168 PolarHBondContact O-N 3.3Å; I166-Q168 VanDerWaalsContact C-N 3.3Å; I166-Q168 PolarHBondContact O-N 3.08Å; Q168-G170 PolarHBondContact O-N 3.37Å
169S75.4Confident65.6Low82 Ų8287.9 Ų87.957%0.57349%0.487SS*.THydrogen-bonded Turntrans-80-1.7176.958.60000114E165 I166 A171E165-S169 WeakPolarHBondContact O-CB 3.36Å; E165-S169 PolarHBondContact O-N 2.99Å; E165-S169 PolarHBondContact O-OG 3.31Å; I166-S169 WeakPolarHBondContact CA-OG 3.17Å; I166-S169 PolarHBondContact O-N 3.06Å; I166-S169 PolarHBondContact O-OG 3.33Å; I166-S169 VanDerWaalsContact O-OG 3.07Å; S169-A171 VanDerWaalsContact C-N 3.29Å; S169-A171 PolarHBondContact O-N 3.04Å
170G65.3Low63.3Low64 Ų6488.3 Ų88.366%0.6651%0.505SS*.THydrogen-bonded Turntrans77.510.9173.300000114.5I166 Q168 N172I166-G170 PolarHBondContact O-N 3.12Å; Q168-G170 PolarHBondContact O-N 3.37Å; G170-N172 PolarHBondContact O-N 3.2Å
171A53.5Low60.6Low53 Ų5397.3 Ų97.344%0.43855%0.545SS..  trans-78.8107.9169.700000108.7I166 S169 L173I166-A171 HydrophobicContact CG2-CB 4.21Å; S169-A171 VanDerWaalsContact C-N 3.29Å; S169-A171 PolarHBondContact O-N 3.04Å; A171-L173 PolarHBondContact O-N 2.87Å
172N42.7Very low58.3Low160 Ų160103.9 Ų103.986%0.85658%0.58SS**  trans-38127.6-179.9-96.7-62.1000113.3G170 V174G170-N172 PolarHBondContact O-N 3.2Å; N172-V174 PolarHBondContact O-N 3.03Å
173L47.7Very low55.7Low91 Ų91105 Ų10548%0.47660%0.597SS.*  trans-58.2118.7171.9-169.575.7000109.1A171 Q175A171-L173 PolarHBondContact O-N 2.87Å; L173-Q175 PolarHBondContact O-N 2.62Å
174V40.4Very low53.5Low139 Ų139111.9 Ų111.984%0.84263%0.626SS**  trans-65.9106.4158.8-165.30000105.5N172 C176N172-V174 PolarHBondContact O-N 3.03Å; V174-C176 PolarHBondContact O-N 3.31Å
175Q39.8Very low51.3Low162 Ų162118 Ų11876%0.75766%0.655SS**  trans-53.1117.7179.6-81.3161.7-45.500110.4L173L173-Q175 PolarHBondContact O-N 2.62Å
176C33.1Very low49.1Very low102 Ų102127.1 Ų127.169%0.68969%0.687SS**  trans-81.4112.7147.650.80000106.9V174 T178V174-C176 PolarHBondContact O-N 3.31Å; C176-T178 PolarHBondContact O-N 3.05Å
177N38Very low47.3Very low148 Ų148133 Ų13379%0.79172%0.719SS**  trans-50.8120.3-179.3-69.3-34000112.2
178T36Very low45.5Very low133 Ų133134.5 Ų134.582%0.81673%0.726SS**  trans-145.1129.3145.347.90000108.2C176C176-T178 PolarHBondContact O-N 3.05Å
179D33.8Very low43.9Very low153 Ų153138 Ų13882%0.81874%0.742SS**  trans-51.1148.6-170.7-64.4-72.2000115F181D179-F181 PolarHBondContact O-N 2.94Å
180P39.7Very low42.8Very low127 Ų127142 Ų14283%0.82575%0.746SS**  trans-71.611117729.3-32.4000110D182P180-D182 PolarHBondContact O-N 3.41Å
181F32.9Very low42.4Very low191 Ų191147.3 Ų147.384%0.83875%0.751SS**  trans-83.9107.7166.9-154.6-92.1000109D179D179-F181 PolarHBondContact O-N 2.94Å
182D41.8Very low42.4Very low138 Ų138149.2 Ų149.274%0.73876%0.759SS**  trans-66.8127.2168-175.116.9000109.9P180P180-D182 PolarHBondContact O-N 3.41Å
183S35.4Very low42.9Very low89 Ų89147 Ų14762%0.62274%0.743SS**  trans-172.3100.1156.3-81.80000110.7E185S183-E185 PolarHBondContact O-N 3.14Å; S183-E185 VanDerWaalsContact O-N 3.11Å
184E42.3Very low42.9Very low188 Ų188146.4 Ų146.488%0.87975%0.746SS**  trans-39.2104.5145.5-71.1-87138.200111.4
185E42.7Very low43.8Very low136 Ų136145.1 Ų145.164%0.63673%0.734SS**  trans-152.686.2164.4-123.6-168.5-168.800112.2S183 K188S183-E185 PolarHBondContact O-N 3.14Å; S183-E185 VanDerWaalsContact O-N 3.11Å; E185-K188 IonicContact OE2-NZ 3.85Å; E185-K188 PolarHBondContact OE2-NZ 3.49Å
186R40.5Very low44.3Very low225 Ų225141.4 Ų141.485%0.84972%0.723SS**  trans37120.9134.7-64.4-98.7-73.7-92.8-4117.5K188R186-K188 PolarHBondContact O-N 3.11Å
187D45.9Very low45.2Very low175 Ų175143 Ų14394%0.93672%0.724SS**  trans-17.694.4163.7-68.9-41.8000114.6
188K48.6Very low45.9Very low159 Ų159146.7 Ų146.769%0.69173%0.727SS**  trans-90.7118.3167.7-75.7171.6-172.4163.40108.2E185 R186 Y190E185-K188 IonicContact OE2-NZ 3.85Å; E185-K188 PolarHBondContact OE2-NZ 3.49Å; R186-K188 PolarHBondContact O-N 3.11Å; K188-Y190 PolarHBondContact O-N 3.03Å
189E46.9Very low46.6Very low182 Ų182147.1 Ų147.185%0.8572%0.72SS**  trans-41129.8172.6-173.8171.9-166.900112.3K191E189-K191 PolarHBondContact O-N 3.45Å; E189-K191 VanDerWaalsContact O-N 3.12Å
190Y52.3Low47.3Very low167 Ų167143.5 Ų143.566%0.65571%0.707SS**  trans-54.2114.8-179.4175-99.8000110.9K188 P192K188-Y190 PolarHBondContact O-N 3.03Å; Y190-P192 HydrophobicContact CD1-CG 4.19Å; Y190-P192 HydrophobicContact CE1-CB 4.09Å; Y190-P192 HydrophobicContact CE1-CG 3.91Å; Y190-P192 WeakPolarHBondContact O-CD 3.25Å
191K57.4Low47.5Very low176 Ų176143.4 Ų143.477%0.76570%0.703SS**  trans-94.3113169.9-72.7-174.7179.8179.30109.2E189 H193E189-K191 PolarHBondContact O-N 3.45Å; E189-K191 VanDerWaalsContact O-N 3.12Å; K191-H193 PolarHBondContact O-N 2.69Å
192P53.1Low47.9Very low93 Ų93142.2 Ų142.260%0.60470%0.7SS**  trans-58.5129.6177.9-19.228.8000111.3Y190 S194Y190-P192 HydrophobicContact CD1-CG 4.19Å; Y190-P192 HydrophobicContact CE1-CB 4.09Å; Y190-P192 HydrophobicContact CE1-CG 3.91Å; Y190-P192 WeakPolarHBondContact O-CD 3.25Å; P192-S194 PolarHBondContact O-N 3.42Å
193H53.6Low47.8Very low112 Ų112141 Ų14152%0.51970%0.7SS.*  trans-7437.7-172.5-61.4-88.9000115.2E94 K191 I195E94-H193 IonicContact OE1-CE1 2.65Å; E94-H193 PolarHBondContact OE1-CE1 2.88Å; K191-H193 PolarHBondContact O-N 2.69Å; H193-I195 HydrophobicContact CB-CG1 4.46Å; H193-I195 WeakPolarHBondContact O-CG1 3.39Å; H193-I195 PolarHBondContact O-N 2.8Å
194S47.6Very low48.2Very low79 Ų79142.1 Ų142.155%0.55271%0.708SS**  trans47.625.5164.8-460000116.7P192 P196 L197P192-S194 PolarHBondContact O-N 3.42Å; S194-P196 VanDerWaalsContact C-CD 3.45Å; S194-L197 PolarHBondContact O-N 3.01Å
195I57.7Low48.3Very low113 Ų113142.4 Ų142.458%0.57971%0.706SS**Hα-helixtrans-61-37.7-176.4-59.2176.5000111.9H193 L197 R198H193-I195 HydrophobicContact CB-CG1 4.46Å; H193-I195 WeakPolarHBondContact O-CG1 3.39Å; H193-I195 PolarHBondContact O-N 2.8Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 3.48Å; I195-R198 PolarHBondContact O-N 3.09Å
196P52.3Low47.9Very low83 Ų83145.4 Ų145.454%0.53972%0.717SS.*Hα-helixtrans-63.3-31176.4-24.535.7000114.2S194 R198 Q199S194-P196 VanDerWaalsContact C-CD 3.45Å; P196-R198 PolarHBondContact O-N 3.18Å; P196-Q199 PolarHBondContact O-N 2.82Å
197L51.7Low47.7Very low135 Ų135140 Ų14071%0.70771%0.714SS**Hα-helixtrans-74.3-27.3-177.1-155.777000112.4S194 I195 Q199 S200S194-L197 PolarHBondContact O-N 3.01Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 3.48Å; L197-Q199 VanDerWaalsContact C-N 3.28Å; L197-S200 PolarHBondContact O-OG 3.33Å
198R52.9Low47Very low227 Ų227136.1 Ų136.186%0.85770%0.7SS**Hα-helixtrans-75.2-16.7172.5-80.9-178173.5-108.30.1113.1I195 P196I195-R198 PolarHBondContact O-N 3.09Å; P196-R198 PolarHBondContact O-N 3.18Å
199Q50Low46.2Very low142 Ų142138.2 Ų138.266%0.66471%0.705SS**THydrogen-bonded Turntrans-86.2-12.5179.9-69.6177.9-25.600113.4P196 L197P196-Q199 PolarHBondContact O-N 2.82Å; L197-Q199 VanDerWaalsContact C-N 3.28Å
200S48.7Very low45.8Very low77 Ų77134.5 Ų134.554%0.53870%0.699SS.*  trans-107.515.8-172.364.60000115.4L197 Q202L197-S200 PolarHBondContact O-OG 3.33Å; S200-Q202 PolarHBondContact O-N 3.3Å
201V43.7Very low45.1Very low124 Ų124138 Ų13875%0.75271%0.711SS**  trans-69.7109.1173-172.80000108.5
202Q41.1Very low44.1Very low166 Ų166141.4 Ų141.478%0.77672%0.719SS**PPolyproline II helixtrans-61.8139.8174.2-69.5-146.2100110.5S200 S204S200-Q202 PolarHBondContact O-N 3.3Å; Q202-S204 PolarHBondContact O-N 3.12Å
203P39Very low43.6Very low114 Ų114140.5 Ų140.574%0.7473%0.727SS**PPolyproline II helixtrans-64.6134.1176.125.5-30.6000109.8K205P203-K205 PolarHBondContact O-N 3.41Å
204S44.2Very low42.7Very low111 Ų111145.3 Ų145.378%0.77675%0.746SS**PPolyproline II helixtrans-62.4132.8173.8790000109.6Q202 F206Q202-S204 PolarHBondContact O-N 3.12Å; S204-F206 VanDerWaalsContact C-N 3.29Å; S204-F206 PolarHBondContact O-N 2.97Å
205K44.1Very low42.2Very low195 Ų195152.2 Ų152.285%0.84876%0.76SS**SBendtrans-80.975.2175.2-67.2-176.2-178.9178.50109.6P203P203-K205 PolarHBondContact O-N 3.41Å
206F35.3Very low41.3Very low198 Ų198153.6 Ų153.687%0.86877%0.768SS**  trans-148.592152.8-99.8-79.1000109S204S204-F206 VanDerWaalsContact C-N 3.29Å; S204-F206 PolarHBondContact O-N 2.97Å
207S36.4Very low40.3Very low111 Ų111158 Ų15878%0.77678%0.781SS**  trans-68.3131.8157.2176.10000107.8
208C29.9Very low39.5Very low95 Ų95156.7 Ų156.764%0.64278%0.781SS**  168151.699.363.50000114.3
209Y32.1Very low38.7Very low203 Ų203154.4 Ų154.480%0.79678%0.78SS**  trans73.699.8159.9-66.8-74.5000120.8
210S38.1Very low38.4Very low104 Ų104153.2 Ų153.273%0.72779%0.785SS**  30.6122.6121.5-58.40000117.8
211R37.6Very low38.3Very low240 Ų240157.4 Ų157.491%0.90680%0.796SS**  trans-154.288.7144.1-112.3175-87.9-145.17.5113
212R37.9Very low38.4Very low247 Ų247156 Ų15693%0.93279%0.789SS**  trans-61.5141.4141.6-160.1176.4-172.1174.81106.6
213G42.7Very low39.2Very low75 Ų75151.8 Ų151.877%0.77378%0.775SS**  trans-53144-162.400000117.1
214K33.4Very low39.8Very low212 Ų212154.1 Ų154.192%0.92278%0.776SS**  trans-157.4142.3150.3-120.5178.7-177.5-178.90110.1
215R36.9Very low40.3Very low225 Ų225155.4 Ų155.485%0.84977%0.77SS**  trans-70.3145.3-174.6-179.3176.1-161.1-153.17.2112.7
216L38.8Very low40.8Very low141 Ų141150 Ų15074%0.73875%0.75SS**  trans70.2115160.6-68.1158.7000119.9
217Q31.6Very low41.8Very low175 Ų175144.3 Ų144.382%0.81873%0.728SS**  -158.2144.6111.3-81.6-61.33.100108.5
218P34.4Very low42.7Very low108 Ų108146.1 Ų146.170%0.70172%0.724SS**PPolyproline II helixtrans-77.21311722.914.1000110.3
219E37.5Very low44.2Very low179 Ų179149.9 Ų149.984%0.83673%0.73SS**PPolyproline II helixtrans-71.3147.8164.3-73.7-125.4120.900110
220P43.9Very low45.6Very low118 Ų118143.4 Ų143.477%0.76671%0.709SS**PPolyproline II helixtrans-65.8136.4179.627-32.6000110.9
221E45.7Very low46.6Very low164 Ų164142.5 Ų142.577%0.76670%0.701SS**PPolyproline II helixtrans-63.8139.9174.6-68.2-157.1160.800110.8
222P47.1Very low47.4Very low94 Ų94136.4 Ų136.461%0.6168%0.682SS**PPolyproline II helixtrans-64.6138.9-17826.8-33000110.7D226P222-D226 HydrophobicContact CB-CB 4.5Å
223T55.9Low48.2Very low78 Ų78128.4 Ų128.448%0.47966%0.657SS.*PPolyproline II helixtrans-78.1157-178.156.60000111.4E225 D226T223-E225 PolarHBondContact O-N 2.95Å; T223-E225 VanDerWaalsContact O-N 3.07Å; T223-D226 PolarHBondContact N-OD2 3.49Å; T223-D226 WeakPolarHBondContact O-CB 3.43Å; T223-D226 PolarHBondContact O-N 3.36Å; T223-D226 PolarHBondContact OG1-OD2 3.44Å
224E53.3Low48.7Very low164 Ų164131 Ų13177%0.76665%0.647SS**Hα-helixtrans-56.3-27.6-179.2-67.1-173.1161.800112.9D226 I227 E228E224-D226 VanDerWaalsContact C-N 3.33Å; E224-D226 PolarHBondContact O-N 2.89Å; E224-I227 PolarHBondContact O-N 3.07Å; E224-E228 PolarHBondContact O-N 3.39Å
225E53.9Low49.8Very low137 Ų137128.1 Ų128.164%0.6464%0.635SS**Hα-helixtrans-69.5-27.6177.1-62.3179.4-172.100113.2T223T223-E225 PolarHBondContact O-N 2.95Å; T223-E225 VanDerWaalsContact O-N 3.07Å
226D54.3Low50.5Low83 Ų83123.2 Ų123.244%0.44463%0.625SS.*Hα-helixtrans-75.8-27.8179.3-61.1-48.4000111.7P222 T223 E224P222-D226 HydrophobicContact CB-CB 4.5Å; T223-D226 PolarHBondContact N-OD2 3.49Å; T223-D226 WeakPolarHBondContact O-CB 3.43Å; T223-D226 PolarHBondContact O-N 3.36Å; T223-D226 PolarHBondContact OG1-OD2 3.44Å; E224-D226 VanDerWaalsContact C-N 3.33Å; E224-D226 PolarHBondContact O-N 2.89Å
227I57.3Low51.1Low77 Ų77123.4 Ų123.440%0.39562%0.622SS.*Hα-helixtrans-78.8-33.8-179.7-57.7172.7000110.7E224 L233E224-I227 PolarHBondContact O-N 3.07Å; I227-L233 HydrophobicContact CG2-CB 4.47Å
228E54Low51.9Low150 Ų150122.5 Ų122.570%0.70162%0.621SS**Hα-helixtrans-75.7-29.2-178.2-168163.5-153.800113.2E224E224-E228 PolarHBondContact O-N 3.39Å
229K61.5Low52Low174 Ų174127.5 Ų127.576%0.75763%0.628SS**SBendtrans-83.3-14.6-179.7-71.6176.8-177.5166.40114.2
230N61.7Low52Low66 Ų66122.1 Ų122.135%0.35362%0.62SS.*  trans-110.3108.4-177-167.7-18.9000111.8E232 L233 K234N230-E232 PolarHBondContact O-N 3.41Å; N230-E232 VanDerWaalsContact O-N 3.15Å; N230-E232 PolarHBondContact OD1-N 3.47Å; N230-E232 VanDerWaalsContact OD1-N 3.1Å; N230-L233 HydrophobicContact CB-CB 4.24Å; N230-L233 HydrophobicContact CB-CD1 3.98Å; N230-L233 HydrophobicContact CB-CG 4.3Å; N230-L233 PolarHBondContact O-N 3.26Å; N230-K234 PolarHBondContact O-N 3.24Å
231P60.2Low51.9Low86 Ų86122 Ų12256%0.55863%0.629SS**Hα-helixtrans-64.6-20.2-177.626-33.3000113.6K235P231-K235 WeakPolarHBondContact O-CG 3.44Å; P231-K235 PolarHBondContact O-N 3.4Å
232E54.1Low51.6Low112 Ų112116.9 Ų116.952%0.52362%0.62SS.*Hα-helixtrans-78.8-34.3177.5-62.5-63.1112.100112N230 K235N230-E232 PolarHBondContact O-N 3.41Å; N230-E232 VanDerWaalsContact O-N 3.15Å; N230-E232 PolarHBondContact OD1-N 3.47Å; N230-E232 VanDerWaalsContact OD1-N 3.1Å; E232-K235 PolarHBondContact O-N 3.25Å; E232-K235 IonicContact OE1-NZ 2.86Å; E232-K235 PolarHBondContact OE1-NZ 3.29Å
233L54.2Low51Low78 Ų78118.8 Ų118.841%0.40863%0.632SS.*Hα-helixtrans-72.5-33.3174.5-76170000111.8I227 N230 K235 L236I227-L233 HydrophobicContact CG2-CB 4.47Å; N230-L233 HydrophobicContact CB-CB 4.24Å; N230-L233 HydrophobicContact CB-CD1 3.98Å; N230-L233 HydrophobicContact CB-CG 4.3Å; N230-L233 PolarHBondContact O-N 3.26Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 3.3Å; L233-L236 PolarHBondContact O-N 3.31Å
234K53.9Low50.6Low129 Ų129124.5 Ų124.556%0.56165%0.651SS**Hα-helixtrans-66.4-28.6175.4-155170.1-172.7168.90112.9N230N230-K234 PolarHBondContact O-N 3.24Å
235K56.6Low49.9Very low153 Ų153125.4 Ų125.467%0.66566%0.657SS**THydrogen-bonded Turntrans-78.7-16.2176.3-74.7172.9-169.9164.10114P231 E232 L233 Q237P231-K235 WeakPolarHBondContact O-CG 3.44Å; P231-K235 PolarHBondContact O-N 3.4Å; E232-K235 PolarHBondContact O-N 3.25Å; E232-K235 IonicContact OE1-NZ 2.86Å; E232-K235 PolarHBondContact OE1-NZ 3.29Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 3.3Å; K235-Q237 VanDerWaalsContact C-N 3.26Å; K235-Q237 PolarHBondContact O-N 3.11Å
236L50.6Low49Very low122 Ų122127 Ų12764%0.63967%0.668SS**THydrogen-bonded Turntrans-832.2-179.1-94.2149.5000113.6L233 I238L233-L236 PolarHBondContact O-N 3.31Å; L236-I238 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 2.95Å
237Q52.1Low48.7Very low145 Ų145126.4 Ų126.468%0.67868%0.681SS**  trans-7785.5176.6-140.117117.500110.1K235 Y239K235-Q237 VanDerWaalsContact C-N 3.26Å; K235-Q237 PolarHBondContact O-N 3.11Å; Q237-Y239 PolarHBondContact O-N 3.38Å
238I47.1Very low47.9Very low155 Ų155130.3 Ų130.380%0.79570%0.702SS**  trans-68.797.3177-55.9169.2000108.7L236L236-I238 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 2.95Å
239Y38.2Very low47.6Very low214 Ų214127.1 Ų127.184%0.83971%0.709SS**  trans-76.8113.8163-96-95.7000109.2Q237Q237-Y239 PolarHBondContact O-N 3.38Å
240G35.6Very low46.5Very low65 Ų65125.8 Ų125.867%0.6771%0.71SS**SBendtrans121.5123.9149.600000119.3
241A41.9Very low45.3Very low117 Ų117132 Ų13297%0.96773%0.734SS**  trans44.669.9153.600000119.9
242G39.3Very low44.2Very low56 Ų56133 Ų13358%0.57775%0.748SS**  trans-141.5160.5162.600000111.6K244G242-K244 PolarHBondContact O-N 3.46Å
243P35.5Very low43.4Very low133 Ų133137.2 Ų137.286%0.86477%0.765SS**  trans-58.2127.6-167.4-1929.4000112.7M245P243-M245 PolarHBondContact O-N 3.09Å; P243-M245 VanDerWaalsContact O-N 3.13Å
244K46.4Very low42.4Very low199 Ų199142 Ų14287%0.86579%0.785SS**  trans-69.1107.6-177.4-67.3-177.4179.61780110.7G242 I246G242-K244 PolarHBondContact O-N 3.46Å; K244-I246 PolarHBondContact O-N 3.34Å; K244-I246 VanDerWaalsContact O-N 3.13Å
245M38.9Very low41.4Very low182 Ų182145.3 Ų145.390%0.89780%0.8SS**  trans-69.6101.3164.5-69.1-69.4-7300108.8P243 G247P243-M245 PolarHBondContact O-N 3.09Å; P243-M245 VanDerWaalsContact O-N 3.13Å; M245-G247 PolarHBondContact O-N 3.38Å
246I35.8Very low40.1Very low172 Ų172144 Ų14488%0.88281%0.805SS**THydrogen-bonded Turntrans-68.1119.4169.6-83.9157.5000108.1K244K244-I246 PolarHBondContact O-N 3.34Å; K244-I246 VanDerWaalsContact O-N 3.13Å
247G47.9Very low39.1Very low69 Ų69146.1 Ų146.171%0.71182%0.816SS**THydrogen-bonded Turntrans153.1-8.4174.600000117.2M245M245-G247 PolarHBondContact O-N 3.38Å
248L40.6Very low38Very low160 Ų160151.3 Ų151.384%0.83883%0.829SS**  trans-121.3107175.7-67.1169.3000109.2L250L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 3.34Å
249G46.7Very low37.2Very low82 Ų82153.4 Ų153.485%0.84583%0.833SS**  trans-7570.2-172.100000114
250L38.7Very low36.9Very low147 Ų147152 Ų15277%0.7783%0.831SS**  trans-100.686.1167.2-63.9173.9000108.8L248L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 3.34Å
251K37.7Very low36.6Very low197 Ų197154.7 Ų154.786%0.85783%0.83SS**  trans-82.1117.4166.9-79.2-175.5175.4-179.80108.3K253K251-K253 PolarHBondContact O-N 3.33Å
252A36Very low36Very low105 Ų105153.9 Ų153.987%0.86882%0.817SS**  trans-60.6120.7161.400000108.4
253K36.8Very low35.7Very low201 Ų201160.8 Ų160.887%0.87483%0.831SS**  trans-102.4111.5176.2-147.8176.4-175.8-179.30108.3K251K251-K253 PolarHBondContact O-N 3.33Å
254E33.2Very low35.4Very low178 Ų178163.2 Ų163.283%0.83283%0.831SS**  trans-54.4132170.9-67.6173.9151.100110.6
255K33.2Very low35.5Very low200 Ų200158.8 Ų158.887%0.8782%0.823SS**  trans-81.8112.1167.3-76.6180-179.8172.40108.6
256T29.4Very low35.2Very low126 Ų126156 Ų15677%0.77382%0.815SS**  trans-107127.1159.542.90000109.5
257L29.3Very low35Very low165 Ų165152.5 Ų152.586%0.86481%0.806SS**  trans-157.7109.9145.8-155.576.5000111
258R30.1Very low34.4Very low255 Ų255158.3 Ų158.396%0.96281%0.812SS**  -150.8134.5126.3-80.9-150174.6-174.5-1.6109.9
259K31.1Very low34.1Very low198 Ų198155.5 Ų155.586%0.86180%0.801SS**  trans-93.4136-176.1-173.2-178.6-173.61780109.2
260K30.5Very low33.5Very low185 Ų185161.6 Ų161.680%0.80480%0.8SS**  trans-166.9128.7140.4-113.7-169169.8-177.80114
261D30.4Very low33.6Very low122 Ų122167.7 Ų167.765%0.65282%0.821SS**  trans63.1103.4142-57.4-21000123.5
262S29.6Very low33.4Very low100 Ų100166.3 Ų166.370%0.69982%0.819SS**  89135.4115.280.90000121.8
263K31.3Very low33.3Very low201 Ų201169.5 Ų169.587%0.87482%0.817SS**  trans98.8113.4155.9-57.6-172.5-178-179.30118.6
264Q29.4Very low33.1Very low183 Ų183167.7 Ų167.786%0.85581%0.813SS**  trans-72-170.7159.8-57.9178.9-22.900111
265P48.4Very low33.1Very low107 Ų107167.1 Ų167.170%0.69581%0.812SS**  cis-116-171.4-34.215.110000108.6
266V33.2Very low33.1Very low122 Ų122165.1 Ų165.174%0.73981%0.809SS**  -177.1149.269.6-170.20000109
267C31.8Very low33.3Very low100 Ų100167.7 Ų167.768%0.67681%0.811SS**  trans-20.8148.5156.8-110.40000117.2
268F34.3Very low33.6Very low191 Ų191167.9 Ų167.984%0.83881%0.807SS**  -168.8154.595.1-99.6-75.3000114.1
269T34.3Very low33.9Very low100 Ų100161.2 Ų161.261%0.61380%0.795SS**  trans-68.5155.5176.837.30000116.2
270Y34.2Very low34.1Very low211 Ų211158.1 Ų158.183%0.82779%0.79SS**  trans49.4116.6144.9-79.8-91000119.9
271F42.3Very low34.5Very low275 Ų275155.6 Ų155.6100%1.20679%0.789SS**  -160.7096.8-110.1-82.8000109.9

Retrieved 271 of 271 residues in 64.9 ms (Link to these results)

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