G4VH13_SCHMA Loading...

RWD domain-containing protein

AlphaFold DB , UniProt , Accession G4VH13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 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
1M45Very low81Confident235 Ų23583.1 Ų83.1100%1.15846%0.456SS*.  0119.30-95.5158.316200106.3I3M1-I3 PolarHBondContact O-N 2.97Å; M1-I3 VanDerWaalsContact O-N 3.16Å
2A54.9Low82.1Confident104 Ų10488 Ų8886%0.8647%0.474SS*.  trans-61.6117.9164.600000105.7C4A2-C4 PolarHBondContact O-N 3.11Å; A2-C4 VanDerWaalsContact O-N 3.11Å
3I59.9Low83.2Confident163 Ų16387.5 Ų87.584%0.83648%0.475SS*.  trans-70.1105.6171.3-61.7168.9000103.6M1 D5M1-I3 PolarHBondContact O-N 2.97Å; M1-I3 VanDerWaalsContact O-N 3.16Å; I3-D5 PolarHBondContact O-N 3.27Å
4C77Confident84.1Confident62 Ų6281.4 Ų81.442%0.41944%0.442SS..  trans-67.4131.2173.6-155.10000106.9A2 E9A2-C4 PolarHBondContact O-N 3.11Å; A2-C4 VanDerWaalsContact O-N 3.11Å; C4-E9 HydrophobicContact CB-CG 3.82Å; C4-E9 WeakPolarHBondContact CB-OE1 3.47Å; C4-E9 WeakPolarHBondContact SG-CG 3.12Å
5D89.9Confident84.9Confident52 Ų5284.6 Ų84.628%0.27845%0.445SS..  trans-63.2124.3174.2-172.8-31.4000107.2I3 R7 E8 E9I3-D5 PolarHBondContact O-N 3.27Å; D5-R7 PolarHBondContact O-N 3.45Å; D5-R7 VanDerWaalsContact O-N 3.08Å; D5-R7 VanDerWaalsContact OD1-CB 3.27Å; D5-R7 WeakPolarHBondContact OD1-CB 3.44Å; D5-R7 PolarHBondContact OD1-N 2.88Å; D5-R7 IonicContact OD1-NE 3.65Å; D5-R7 PolarHBondContact OD1-NE 3.14Å; D5-R7 IonicContact OD2-CZ 3.41Å; D5-R7 IonicContact OD2-NE 3.61Å; D5-R7 PolarHBondContact OD2-NE 2.93Å; D5-R7 IonicContact OD2-NH2 2.75Å; D5-R7 PolarHBondContact OD2-NH2 3.19Å; D5-E8 HydrophobicContact CB-CB 4.24Å; D5-E8 WeakPolarHBondContact O-CB 3.45Å; D5-E8 PolarHBondContact O-N 3.06Å; D5-E9 PolarHBondContact O-N 3.32Å; D5-E9 VanDerWaalsContact O-N 3.14Å
6P92Very high85.5Confident59 Ų5985.4 Ų85.438%0.38346%0.46SS..Hα-helixtrans-56.8-27-179.624.3-35.9000112.5E10P6-E10 PolarHBondContact O-N 3.47Å
7R94.7Very high86.2Confident39 Ų3985.4 Ų85.415%0.14746%0.458CS..Hα-helixtrans-63.3-43.4171.6-67.9179-64.4176.76.5112D5 E10 A11 Y29 W50 Y54D5-R7 PolarHBondContact O-N 3.45Å; D5-R7 VanDerWaalsContact O-N 3.08Å; D5-R7 VanDerWaalsContact OD1-CB 3.27Å; D5-R7 WeakPolarHBondContact OD1-CB 3.44Å; D5-R7 PolarHBondContact OD1-N 2.88Å; D5-R7 IonicContact OD1-NE 3.65Å; D5-R7 PolarHBondContact OD1-NE 3.14Å; D5-R7 IonicContact OD2-CZ 3.41Å; D5-R7 IonicContact OD2-NE 3.61Å; D5-R7 PolarHBondContact OD2-NE 2.93Å; D5-R7 IonicContact OD2-NH2 2.75Å; D5-R7 PolarHBondContact OD2-NH2 3.19Å; R7-E10 PolarHBondContact O-N 3.02Å; R7-A11 WeakPolarHBondContact O-CB 3.37Å; R7-A11 PolarHBondContact O-N 3.37Å; R7-Y29 HydrophobicContact CB-CD1 3.87Å; R7-Y29 HydrophobicContact CB-CE1 3.67Å; R7-Y29 HydrophobicContact CB-CE2 4.42Å; R7-Y29 HydrophobicContact CB-CG 4.35Å; R7-W50 HydrophobicContact CB-CE3 3.66Å; R7-W50 HydrophobicContact CB-CZ3 4.01Å; R7-W50 HydrophobicContact CG-CB 4.13Å; R7-W50 HydrophobicContact CG-CD2 4.39Å; R7-W50 HydrophobicContact CG-CE3 3.86Å; R7-W50 PolarHBondContact NH1-O 3.39Å; R7-W50 WeakPolarHBondContact O-CZ3 3.33Å; R7-Y54 HydrophobicContact CG-CD1 3.63Å; R7-Y54 HydrophobicContact CG-CG 4.27Å
8E93.7Very high86.7Confident78 Ų7881.3 Ų81.336%0.36444%0.436SS..Hα-helixtrans-68.2-39.8-179.8-168.960.5-152.200111.5D5 A11 Q12 Y29D5-E8 HydrophobicContact CB-CB 4.24Å; D5-E8 WeakPolarHBondContact O-CB 3.45Å; D5-E8 PolarHBondContact O-N 3.06Å; E8-A11 PolarHBondContact O-N 3.25Å; E8-Q12 PolarHBondContact O-N 3.42Å; E8-Y29 PolarHBondContact OE2-OH 2.94Å; E8-Y29 VanDerWaalsContact OE2-OH 3.12Å
9E93.4Very high87.1Confident107 Ų10783.3 Ų83.350%0.545%0.446SS..Hα-helixtrans-59.4-48.1173.7-64.5-169.8165.700111.2C4 D5 Q12 V13C4-E9 HydrophobicContact CB-CG 3.82Å; C4-E9 WeakPolarHBondContact CB-OE1 3.47Å; C4-E9 WeakPolarHBondContact SG-CG 3.12Å; D5-E9 PolarHBondContact O-N 3.32Å; D5-E9 VanDerWaalsContact O-N 3.14Å; E9-Q12 PolarHBondContact O-N 2.97Å; E9-V13 WeakPolarHBondContact O-CG2 3.47Å; E9-V13 PolarHBondContact O-N 2.9Å; E9-V13 VanDerWaalsContact O-N 3.13Å
10E95.5Very high87.3Confident14 Ų1487.3 Ų87.37%0.06546%0.462CS..Hα-helixtrans-64.7-42.1176.9-176.3171.8169.300112.2P6 R7 Q12 V13 L14 W50 Y54 A94 L95 T96P6-E10 PolarHBondContact O-N 3.47Å; R7-E10 PolarHBondContact O-N 3.02Å; E10-Q12 VanDerWaalsContact C-N 3.31Å; E10-Q12 PolarHBondContact O-N 2.99Å; E10-V13 PolarHBondContact O-N 3.43Å; E10-L14 HydrophobicContact CG-CD1 3.85Å; E10-L14 HydrophobicContact CG-CG 4.12Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.48Å; E10-L14 PolarHBondContact O-N 3.14Å; E10-W50 HydrophobicContact CB-CH2 3.98Å; E10-W50 HydrophobicContact CB-CZ2 4.43Å; E10-W50 HydrophobicContact CG-CH2 3.85Å; E10-W50 HydrophobicContact CG-CZ2 3.91Å; E10-Y54 PolarHBondContact OE1-OH 2.92Å; E10-Y54 VanDerWaalsContact OE1-OH 3.13Å; E10-Y54 WeakPolarHBondContact OE2-CE1 3.48Å; E10-Y54 PolarHBondContact OE2-OH 3.14Å; E10-A94 HydrophobicContact CB-CB 4.5Å; E10-A94 VanDerWaalsContact CD-CB 3.47Å; E10-A94 HydrophobicContact CG-CB 4.03Å; E10-A94 WeakPolarHBondContact OE2-CA 3.43Å; E10-A94 WeakPolarHBondContact OE2-CB 3.5Å; E10-L95 PolarHBondContact OE1-N 2.92Å; E10-T96 WeakPolarHBondContact OE1-CB 3.3Å; E10-T96 PolarHBondContact OE1-N 3.06Å; E10-T96 PolarHBondContact OE1-OG1 3.12Å
11A95.3Very high87.5Confident1 Ų191.4 Ų91.41%0.00848%0.479CS..Hα-helixtrans-58.1-43.4177.200000111.8R7 E8 L14 R15 I25 W50R7-A11 WeakPolarHBondContact O-CB 3.37Å; R7-A11 PolarHBondContact O-N 3.37Å; E8-A11 PolarHBondContact O-N 3.25Å; A11-L14 PolarHBondContact O-N 3.37Å; A11-R15 WeakPolarHBondContact O-CB 3.34Å; A11-R15 VanDerWaalsContact O-CG 3.28Å; A11-R15 WeakPolarHBondContact O-CG 3.03Å; A11-R15 PolarHBondContact O-N 3.25Å; A11-I25 HydrophobicContact CB-CD1 4.33Å; A11-I25 HydrophobicContact CB-CG2 4.2Å; A11-W50 HydrophobicContact CB-CH2 4.12Å; A11-W50 HydrophobicContact CB-CZ3 3.94Å
12Q94.3Very high89.8Confident142 Ų14284 Ų8466%0.66444%0.441SS*.Hα-helixtrans-64.8-41.3178-171.5174.619.200111.7E8 E9 E10 S16E8-Q12 PolarHBondContact O-N 3.42Å; E9-Q12 PolarHBondContact O-N 2.97Å; E10-Q12 VanDerWaalsContact C-N 3.31Å; E10-Q12 PolarHBondContact O-N 2.99Å; Q12-S16 PolarHBondContact O-N 3.2Å
13V95.8Very high91.7Very high81 Ų8179.5 Ų79.549%0.49140%0.403SS..Hα-helixtrans-62.8-48175.7172.20000110.5E9 E10 R15 S16 I17E9-V13 WeakPolarHBondContact O-CG2 3.47Å; E9-V13 PolarHBondContact O-N 2.9Å; E9-V13 VanDerWaalsContact O-N 3.13Å; E10-V13 PolarHBondContact O-N 3.43Å; V13-R15 PolarHBondContact O-N 3.11Å; V13-S16 WeakPolarHBondContact O-CB 3.39Å; V13-S16 PolarHBondContact O-N 3.26Å; V13-S16 PolarHBondContact O-OG 3.26Å; V13-I17 HydrophobicContact CG1-CD1 3.72Å; V13-I17 WeakPolarHBondContact O-CG1 3.33Å; V13-I17 PolarHBondContact O-N 3.32Å
14L96.8Very high93.4Very high2 Ų276.6 Ų76.61%0.0139%0.387CS..Hα-helixtrans-61.8-42.5179.9-69.7173.3000112.3E10 A11 S16 I17 F18 L23 I25 L31 W50 T96 F97E10-L14 HydrophobicContact CG-CD1 3.85Å; E10-L14 HydrophobicContact CG-CG 4.12Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.48Å; E10-L14 PolarHBondContact O-N 3.14Å; A11-L14 PolarHBondContact O-N 3.37Å; L14-S16 PolarHBondContact O-N 3.05Å; L14-I17 PolarHBondContact O-N 2.94Å; L14-F18 HydrophobicContact CD2-CD2 4.12Å; L14-F18 HydrophobicContact CD2-CE2 3.76Å; L14-F18 WeakPolarHBondContact O-CD2 3.39Å; L14-F18 PolarHBondContact O-N 3.19Å; L14-L23 HydrophobicContact CB-CD2 3.79Å; L14-L23 HydrophobicContact CD1-CD2 4.23Å; L14-L23 HydrophobicContact CD2-CD2 4.27Å; L14-L23 HydrophobicContact CG-CD2 4.32Å; L14-I25 HydrophobicContact CB-CD1 3.74Å; L14-I25 HydrophobicContact CD1-CD1 4.07Å; L14-L31 HydrophobicContact CD1-CD2 3.77Å; L14-W50 HydrophobicContact CD1-CH2 3.91Å; L14-W50 HydrophobicContact CD1-CZ2 3.78Å; L14-T96 HydrophobicContact CD1-CG2 3.87Å; L14-F97 HydrophobicContact CD2-CB 4.22Å
15R94.9Very high94.2Very high130 Ų13074.6 Ų74.649%0.49137%0.372SS..Hα-helixtrans-61.3-21.6173.7-74.7172.5177.2-178.1-1.1113.5A11 V13 I25A11-R15 WeakPolarHBondContact O-CB 3.34Å; A11-R15 VanDerWaalsContact O-CG 3.28Å; A11-R15 WeakPolarHBondContact O-CG 3.03Å; A11-R15 PolarHBondContact O-N 3.25Å; V13-R15 PolarHBondContact O-N 3.11Å; R15-I25 HydrophobicContact CG-CD1 4.21Å; R15-I25 PolarHBondContact NH2-O 3.49Å
16S95.6Very high94.4Very high97 Ų9775 Ų7568%0.67838%0.378SS*.Hα-helixtrans-87.4-18.1175.778.20000113.7Q12 V13 L14Q12-S16 PolarHBondContact O-N 3.2Å; V13-S16 WeakPolarHBondContact O-CB 3.39Å; V13-S16 PolarHBondContact O-N 3.26Å; V13-S16 PolarHBondContact O-OG 3.26Å; L14-S16 PolarHBondContact O-N 3.05Å
17I96.3Very high94.4Very high85 Ų8579.5 Ų79.544%0.43640%0.4SS..Hα-helixtrans-98.1-38.8-177.2-64.1167.9000111.1V13 L14 F97V13-I17 HydrophobicContact CG1-CD1 3.72Å; V13-I17 WeakPolarHBondContact O-CG1 3.33Å; V13-I17 PolarHBondContact O-N 3.32Å; L14-I17 PolarHBondContact O-N 2.94Å; I17-F97 HydrophobicContact CD1-CD2 4.13Å; I17-F97 HydrophobicContact CD1-CE2 4.33Å; I17-F97 HydrophobicContact CG2-CE2 4.24Å
18F95.5Very high94.4Very high12 Ų1281.9 Ų81.95%0.05342%0.415CS..SBendtrans-114143.4-172.5-60.5-79.7000111.5L14 L23 F97 I100L14-F18 HydrophobicContact CD2-CD2 4.12Å; L14-F18 HydrophobicContact CD2-CE2 3.76Å; L14-F18 WeakPolarHBondContact O-CD2 3.39Å; L14-F18 PolarHBondContact O-N 3.19Å; F18-L23 HydrophobicContact CB-CB 3.68Å; F18-L23 HydrophobicContact CB-CD2 4.16Å; F18-L23 HydrophobicContact CD2-CD2 3.61Å; F18-L23 HydrophobicContact CE2-CD2 4.3Å; F18-L23 HydrophobicContact CG-CB 4.1Å; F18-L23 HydrophobicContact CG-CD2 4.05Å; F18-F97 HydrophobicContact CE2-CD2 4.08Å; F18-F97 HydrophobicContact CZ-CD2 4.07Å; F18-F97 HydrophobicContact CZ-CE2 4.29Å; F18-I100 HydrophobicContact CD2-CD1 4.3Å; F18-I100 HydrophobicContact CE1-CD1 4.32Å; F18-I100 HydrophobicContact CE1-CG2 3.63Å; F18-I100 HydrophobicContact CE2-CD1 3.72Å; F18-I100 HydrophobicContact CZ-CB 4.17Å; F18-I100 HydrophobicContact CZ-CD1 3.73Å; F18-I100 HydrophobicContact CZ-CG2 3.55Å
19D93.7Very high94.4Very high120 Ų12080 Ų8064%0.64241%0.405SS*.  trans-71.7154170.1-67.7-36.7000110.8E21 E22 L23D19-E21 PolarHBondContact O-N 3.34Å; D19-E21 VanDerWaalsContact O-N 3.14Å; D19-E22 PolarHBondContact O-N 3.29Å; D19-L23 PolarHBondContact O-N 3.35Å
20E91.6Very high94.5Very high162 Ų16277.9 Ų77.976%0.75740%0.397SS*.THydrogen-bonded Turntrans-58.8-26.9177.3-66.1-178.7-179.900112.3E22 M24E20-E22 VanDerWaalsContact C-N 3.33Å; E20-M24 HydrophobicContact CB-SD 4.1Å; E20-M24 VanDerWaalsContact O-CG 3.27Å; E20-M24 WeakPolarHBondContact O-CG 3.44Å
21E91.1Very high94.5Very high175 Ų17577.3 Ų77.382%0.81840%0.395SS*.THydrogen-bonded Turntrans-73.4-24.4175.9-63.2-170.7-178.300113.7D19D19-E21 PolarHBondContact O-N 3.34Å; D19-E21 VanDerWaalsContact O-N 3.14Å
22E93.3Very high94.6Very high79 Ų7980.5 Ų80.537%0.36941%0.409SS..THydrogen-bonded Turntrans-90.9-46.3179.6-64.5-163.6163.100111.6D19 E20 Y33 K34D19-E22 PolarHBondContact O-N 3.29Å; E20-E22 VanDerWaalsContact C-N 3.33Å; E22-Y33 HydrophobicContact CB-CE2 4.39Å; E22-Y33 WeakPolarHBondContact O-CA 3.49Å; E22-Y33 WeakPolarHBondContact O-CD2 3.5Å; E22-K34 PolarHBondContact O-N 3.48Å
23L95.3Very high94.7Very high10 Ų1074.4 Ų74.45%0.05238%0.38CS..EExtended strand (participates in β ladder)trans-134.7109.7-175.9-176.568.2000110.9L14 F18 D19 I25 L31 E32 Y33 I100L14-L23 HydrophobicContact CB-CD2 3.79Å; L14-L23 HydrophobicContact CD1-CD2 4.23Å; L14-L23 HydrophobicContact CD2-CD2 4.27Å; L14-L23 HydrophobicContact CG-CD2 4.32Å; F18-L23 HydrophobicContact CB-CB 3.68Å; F18-L23 HydrophobicContact CB-CD2 4.16Å; F18-L23 HydrophobicContact CD2-CD2 3.61Å; F18-L23 HydrophobicContact CE2-CD2 4.3Å; F18-L23 HydrophobicContact CG-CB 4.1Å; F18-L23 HydrophobicContact CG-CD2 4.05Å; D19-L23 PolarHBondContact O-N 3.35Å; L23-I25 HydrophobicContact CD2-CD1 4.12Å; L23-I25 HydrophobicContact CD2-CG1 4.33Å; L23-I25 HydrophobicContact CG-CD1 4.45Å; L23-I25 HydrophobicContact CG-CG1 4.12Å; L23-L31 HydrophobicContact CD1-CB 4.39Å; L23-E32 WeakPolarHBondContact CA-O 3.19Å; L23-Y33 HydrophobicContact CB-CD2 4.27Å; L23-Y33 HydrophobicContact CD1-CD2 4.15Å; L23-Y33 HydrophobicContact CD1-CG 4.4Å; L23-I100 HydrophobicContact CD1-CD1 4.07Å; L23-I100 HydrophobicContact CD2-CD1 3.94Å
24M95.1Very high94.6Very high102 Ų10273.7 Ų73.750%0.50237%0.37SS..EExtended strand (participates in β ladder)trans-93.9128.9173.3-69.6-68.9-70.800109.7E20 L31 E32E20-M24 HydrophobicContact CB-SD 4.1Å; E20-M24 VanDerWaalsContact O-CG 3.27Å; E20-M24 WeakPolarHBondContact O-CG 3.44Å; M24-L31 CarbonylContact O-C 3.54Å; M24-L31 VanDerWaalsContact O-CA 3.24Å; M24-L31 WeakPolarHBondContact O-CA 3.47Å; M24-E32 HydrophobicContact CB-CB 4.32Å; M24-E32 PolarHBondContact N-O 3.38Å; M24-E32 PolarHBondContact O-N 3.22Å
25I95.5Very high94.5Very high20 Ų2073.7 Ų73.710%0.10337%0.371CS..EExtended strand (participates in β ladder)trans-122.1112.1176.3-52.8-175.4000108.9A11 L14 R15 L23 L31A11-I25 HydrophobicContact CB-CD1 4.33Å; A11-I25 HydrophobicContact CB-CG2 4.2Å; L14-I25 HydrophobicContact CB-CD1 3.74Å; L14-I25 HydrophobicContact CD1-CD1 4.07Å; R15-I25 HydrophobicContact CG-CD1 4.21Å; R15-I25 PolarHBondContact NH2-O 3.49Å; L23-I25 HydrophobicContact CD2-CD1 4.12Å; L23-I25 HydrophobicContact CD2-CG1 4.33Å; L23-I25 HydrophobicContact CG-CD1 4.45Å; L23-I25 HydrophobicContact CG-CG1 4.12Å; I25-L31 HydrophobicContact CB-CG 4.4Å; I25-L31 HydrophobicContact CD1-CD2 3.79Å; I25-L31 HydrophobicContact CD1-CG 4.39Å; I25-L31 HydrophobicContact CG1-CD2 3.82Å; I25-L31 HydrophobicContact CG1-CG 3.93Å; I25-L31 HydrophobicContact CG2-CD2 4.5Å; I25-L31 HydrophobicContact CG2-CG 4.12Å
26S94.1Very high94.3Very high59 Ų5969 Ų6941%0.41336%0.362SS..  trans-80.7160.3178-57.30000111.8D28 Y29 N30S26-D28 WeakPolarHBondContact CB-OD1 3.42Å; S26-D28 PolarHBondContact O-N 3.19Å; S26-D28 VanDerWaalsContact O-N 3.17Å; S26-Y29 PolarHBondContact O-N 3.28Å; S26-Y29 VanDerWaalsContact O-N 3.09Å; S26-N30 WeakPolarHBondContact CB-O 3.39Å; S26-N30 PolarHBondContact N-O 3.27Å; S26-N30 PolarHBondContact OG-O 3.14Å
27D91Very high93.8Very high155 Ų15571.4 Ų71.483%0.82936%0.363SS*.THydrogen-bonded Turntrans-65.5-16.6-179.1-63.9-25.1000113.7Y29D27-Y29 VanDerWaalsContact C-N 3.33Å
28D93.6Very high93Very high89 Ų8970.4 Ų70.448%0.47637%0.367SS..THydrogen-bonded Turntrans-9515.9176.563-4000113S26 N30 Y49S26-D28 WeakPolarHBondContact CB-OD1 3.42Å; S26-D28 PolarHBondContact O-N 3.19Å; S26-D28 VanDerWaalsContact O-N 3.17Å; D28-N30 PolarHBondContact O-N 3.46Å; D28-N30 WeakPolarHBondContact OD1-CB 3.47Å; D28-N30 PolarHBondContact OD1-N 3.02Å; D28-N30 PolarHBondContact OD1-ND2 3.06Å; D28-N30 PolarHBondContact OD2-ND2 3.3Å; D28-Y49 WeakPolarHBondContact O-CE2 3.43Å
29Y94.4Very high92.1Very high39 Ų3973.5 Ų73.515%0.15340%0.403CS..SBendtrans58.332.9-177-53.5-68.3000113.8R7 E8 S26 D27 L31 Y49 W50R7-Y29 HydrophobicContact CB-CD1 3.87Å; R7-Y29 HydrophobicContact CB-CE1 3.67Å; R7-Y29 HydrophobicContact CB-CE2 4.42Å; R7-Y29 HydrophobicContact CB-CG 4.35Å; E8-Y29 PolarHBondContact OE2-OH 2.94Å; E8-Y29 VanDerWaalsContact OE2-OH 3.12Å; S26-Y29 PolarHBondContact O-N 3.28Å; S26-Y29 VanDerWaalsContact O-N 3.09Å; D27-Y29 VanDerWaalsContact C-N 3.33Å; Y29-L31 WeakPolarHBondContact O-CD1 3.23Å; Y29-Y49 WeakPolarHBondContact O-CA 3.46Å; Y29-W50 AromaticContact CD1-CE3 3.53Å; Y29-W50 HydrophobicContact CD1-CE3 3.53Å; Y29-W50 AromaticContact CD1-CZ3 3.79Å; Y29-W50 HydrophobicContact CD1-CZ3 3.79Å; Y29-W50 HydrophobicContact CE1-CE3 4.43Å; Y29-W50 HydrophobicContact CE1-CZ3 4.44Å; Y29-W50 AromaticContact CG-CE3 3.99Å; Y29-W50 HydrophobicContact CG-CE3 3.99Å; Y29-W50 PolarHBondContact O-N 3.41Å; Y29-W50 VanDerWaalsContact O-N 3.08Å
30N95.8Very high91.7Very high61 Ų6169.8 Ų69.833%0.32639%0.385SS..EExtended strand (participates in β ladder)trans-89.5117.7161.2-74.7-67.7000110.3S26 D28 Y49S26-N30 WeakPolarHBondContact CB-O 3.39Å; S26-N30 PolarHBondContact N-O 3.27Å; S26-N30 PolarHBondContact OG-O 3.14Å; D28-N30 PolarHBondContact O-N 3.46Å; D28-N30 WeakPolarHBondContact OD1-CB 3.47Å; D28-N30 PolarHBondContact OD1-N 3.02Å; D28-N30 PolarHBondContact OD1-ND2 3.06Å; D28-N30 PolarHBondContact OD2-ND2 3.3Å; N30-Y49 WeakPolarHBondContact OD1-CB 3.4Å; N30-Y49 VanDerWaalsContact OD1-CD2 3.28Å; N30-Y49 WeakPolarHBondContact OD1-CD2 3.44Å
31L96.3Very high91.4Very high3 Ų367.6 Ų67.62%0.01638%0.382CS..EExtended strand (participates in β ladder)trans-105.1137178.3-62.486.7000109.7L14 L23 M24 I25 Y29 Q47 V48 W50 T96L14-L31 HydrophobicContact CD1-CD2 3.77Å; L23-L31 HydrophobicContact CD1-CB 4.39Å; M24-L31 CarbonylContact O-C 3.54Å; M24-L31 VanDerWaalsContact O-CA 3.24Å; M24-L31 WeakPolarHBondContact O-CA 3.47Å; I25-L31 HydrophobicContact CB-CG 4.4Å; I25-L31 HydrophobicContact CD1-CD2 3.79Å; I25-L31 HydrophobicContact CD1-CG 4.39Å; I25-L31 HydrophobicContact CG1-CD2 3.82Å; I25-L31 HydrophobicContact CG1-CG 3.93Å; I25-L31 HydrophobicContact CG2-CD2 4.5Å; I25-L31 HydrophobicContact CG2-CG 4.12Å; Y29-L31 WeakPolarHBondContact O-CD1 3.23Å; L31-Q47 CarbonylContact O-C 3.6Å; L31-Q47 VanDerWaalsContact O-CA 3.26Å; L31-Q47 WeakPolarHBondContact O-CA 3.07Å; L31-V48 WeakPolarHBondContact CA-O 3.43Å; L31-V48 HydrophobicContact CB-CB 4.29Å; L31-V48 WeakPolarHBondContact CB-O 3.44Å; L31-V48 WeakPolarHBondContact CD1-O 3.26Å; L31-V48 PolarHBondContact N-O 3.16Å; L31-V48 PolarHBondContact O-N 3Å; L31-W50 HydrophobicContact CD1-CD2 3.58Å; L31-W50 VanDerWaalsContact CD1-CE2 3.43Å; L31-W50 HydrophobicContact CD1-CE3 3.98Å; L31-W50 HydrophobicContact CD1-CG 4.06Å; L31-W50 HydrophobicContact CD1-CH2 4.14Å; L31-W50 HydrophobicContact CD1-CZ2 3.75Å; L31-W50 HydrophobicContact CD1-CZ3 4.22Å; L31-W50 HydrophobicContact CD2-CH2 3.82Å; L31-W50 HydrophobicContact CD2-CZ2 3.4Å; L31-W50 VanDerWaalsContact CD2-CZ2 3.4Å; L31-W50 HydrophobicContact CG-CZ2 4.25Å; L31-T96 HydrophobicContact CD2-CG2 3.85Å
32E96.3Very high91.3Very high68 Ų6860.8 Ų60.832%0.31835%0.354SS..EExtended strand (participates in β ladder)trans-125.8112.1174.9-172.2167.5120.600109.2L23 M24 I45 Q47L23-E32 WeakPolarHBondContact CA-O 3.19Å; M24-E32 HydrophobicContact CB-CB 4.32Å; M24-E32 PolarHBondContact N-O 3.38Å; M24-E32 PolarHBondContact O-N 3.22Å; E32-I45 VanDerWaalsContact CD-CG2 3.46Å; E32-I45 HydrophobicContact CG-CG2 3.18Å; E32-Q47 HydrophobicContact CB-CG 4.49Å; E32-Q47 HydrophobicContact CG-CG 4.16Å; E32-Q47 PolarHBondContact OE2-NE2 3.42Å
33Y95.9Very high91.3Very high13 Ų1357.1 Ų57.15%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-106.3129.5179.5-178.7-120.8000111E22 L23 V35 I45 V46 I100 L103 K104E22-Y33 HydrophobicContact CB-CE2 4.39Å; E22-Y33 WeakPolarHBondContact O-CA 3.49Å; E22-Y33 WeakPolarHBondContact O-CD2 3.5Å; L23-Y33 HydrophobicContact CB-CD2 4.27Å; L23-Y33 HydrophobicContact CD1-CD2 4.15Å; L23-Y33 HydrophobicContact CD1-CG 4.4Å; Y33-V35 HydrophobicContact CD1-CG2 3.71Å; Y33-V35 HydrophobicContact CE1-CB 4.43Å; Y33-V35 HydrophobicContact CE1-CG2 3.64Å; Y33-I45 CarbonylContact O-C 3.5Å; Y33-I45 WeakPolarHBondContact O-CA 3.37Å; Y33-V46 PolarHBondContact N-O 3.14Å; Y33-V46 PolarHBondContact O-N 2.95Å; Y33-I100 HydrophobicContact CD1-CB 4.4Å; Y33-I100 HydrophobicContact CD1-CG1 3.85Å; Y33-I100 HydrophobicContact CD1-CG2 4.23Å; Y33-I100 HydrophobicContact CD2-CD1 4.13Å; Y33-I100 HydrophobicContact CD2-CG1 4.1Å; Y33-I100 HydrophobicContact CD2-CG2 4.35Å; Y33-I100 HydrophobicContact CE1-CB 4.23Å; Y33-I100 HydrophobicContact CE1-CG1 4.16Å; Y33-I100 HydrophobicContact CE1-CG2 3.65Å; Y33-I100 HydrophobicContact CE2-CG1 4.44Å; Y33-I100 HydrophobicContact CE2-CG2 3.85Å; Y33-I100 HydrophobicContact CG-CD1 4.26Å; Y33-I100 HydrophobicContact CG-CG1 3.84Å; Y33-I100 VanDerWaalsContact CZ-CG2 3.5Å; Y33-L103 HydrophobicContact CD1-CD1 3.89Å; Y33-L103 HydrophobicContact CE1-CB 4.35Å; Y33-L103 HydrophobicContact CE1-CD1 4.34Å; Y33-K104 WeakPolarHBondContact OH-CE 3.36Å
34K95.1Very high91.3Very high66 Ų6656.6 Ų56.629%0.28733%0.334SS..EExtended strand (participates in β ladder)trans-99117.9177.9-174.5178.7175.8-174.90110.9E22 A38 I45E22-K34 PolarHBondContact O-N 3.48Å; K34-A38 VanDerWaalsContact NZ-CB 3.26Å; K34-I45 HydrophobicContact CB-CG1 4.43Å; K34-I45 HydrophobicContact CG-CG1 4.33Å
35V93.5Very high91.3Very high2 Ų252.5 Ų52.51%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-98.1127.3179-163.30000110Y33 S43 F44 V46 L103 H107Y33-V35 HydrophobicContact CD1-CG2 3.71Å; Y33-V35 HydrophobicContact CE1-CB 4.43Å; Y33-V35 HydrophobicContact CE1-CG2 3.64Å; V35-S43 CarbonylContact O-C 3.56Å; V35-S43 WeakPolarHBondContact O-CA 3.26Å; V35-S43 WeakPolarHBondContact O-CB 3.38Å; V35-F44 HydrophobicContact CB-CD1 4.27Å; V35-F44 HydrophobicContact CB-CD2 4.11Å; V35-F44 HydrophobicContact CB-CE1 4.07Å; V35-F44 HydrophobicContact CB-CE2 3.88Å; V35-F44 HydrophobicContact CB-CG 4.31Å; V35-F44 HydrophobicContact CB-CZ 3.86Å; V35-F44 HydrophobicContact CG1-CE1 4.08Å; V35-F44 HydrophobicContact CG1-CE2 4.39Å; V35-F44 HydrophobicContact CG1-CZ 3.9Å; V35-F44 HydrophobicContact CG2-CD2 3.91Å; V35-F44 HydrophobicContact CG2-CE2 3.51Å; V35-F44 HydrophobicContact CG2-CZ 3.88Å; V35-F44 PolarHBondContact N-O 3.35Å; V35-F44 PolarHBondContact O-N 3.18Å; V35-V46 HydrophobicContact CG2-CG2 4.39Å; V35-L103 HydrophobicContact CG1-CB 4.43Å; V35-L103 HydrophobicContact CG2-CB 4.12Å; V35-L103 HydrophobicContact CG2-CD1 4.02Å; V35-L103 HydrophobicContact CG2-CD2 4.43Å; V35-L103 HydrophobicContact CG2-CG 4.43Å; V35-H107 HydrophobicContact CG1-CB 4.06Å; V35-H107 VanDerWaalsContact CG1-CD2 3.48Å; V35-H107 WeakPolarHBondContact CG1-CD2 3.17Å
36G90.5Very high91.4Very high31 Ų3151.6 Ų51.632%0.3231%0.31SS..SBendtrans85.3174.1174.600000115H107G36-H107 WeakPolarHBondContact CA-CE1 3.05Å
37E85.8Confident91.5Very high149 Ų14951.8 Ų51.870%0.69630%0.304SS*.  trans-72.7131.1-174.6-174.1179.5-171.300112.3G39 T40 S43E37-G39 PolarHBondContact O-N 2.97Å; E37-T40 HydrophobicContact CB-CG2 3.88Å; E37-T40 HydrophobicContact CG-CG2 4.21Å; E37-T40 WeakPolarHBondContact O-CB 3.3Å; E37-T40 PolarHBondContact O-N 3.16Å; E37-T40 VanDerWaalsContact O-N 3.16Å; E37-T40 PolarHBondContact O-OG1 3.09Å; E37-S43 VanDerWaalsContact O-CB 3.26Å; E37-S43 WeakPolarHBondContact O-CB 3.27Å; E37-S43 PolarHBondContact O-OG 3.32Å
38A80Confident91.7Very high63 Ų6344.9 Ų44.952%0.52127%0.267SS..THydrogen-bonded Turntrans-53.5130.4-179.500000112.2K34 T40K34-A38 VanDerWaalsContact NZ-CB 3.26Å; A38-T40 VanDerWaalsContact C-N 3.3Å; A38-T40 PolarHBondContact O-N 3.12Å
39G76.9Confident91.9Very high77 Ų7744.9 Ų44.979%0.79426%0.261SS*.THydrogen-bonded Turntrans84-2.2177.100000115E37E37-G39 PolarHBondContact O-N 2.97Å
40T85.2Confident92Very high43 Ų4343 Ų4326%0.26425%0.254SS..SBendtrans-83.1148.7169.365.40000111.3E37 A38 S42 S43E37-T40 HydrophobicContact CB-CG2 3.88Å; E37-T40 HydrophobicContact CG-CG2 4.21Å; E37-T40 WeakPolarHBondContact O-CB 3.3Å; E37-T40 PolarHBondContact O-N 3.16Å; E37-T40 VanDerWaalsContact O-N 3.16Å; E37-T40 PolarHBondContact O-OG1 3.09Å; A38-T40 VanDerWaalsContact C-N 3.3Å; A38-T40 PolarHBondContact O-N 3.12Å; T40-S42 WeakPolarHBondContact CB-OG 3.45Å; T40-S42 PolarHBondContact O-N 3.43Å; T40-S42 VanDerWaalsContact O-N 3.15Å; T40-S42 PolarHBondContact OG1-OG 3.04Å; T40-S43 PolarHBondContact O-N 3.21Å; T40-S43 VanDerWaalsContact O-N 3.13Å; T40-S43 PolarHBondContact O-OG 3.43Å; T40-S43 PolarHBondContact OG1-N 3.09Å
41T84.7Confident91.9Very high115 Ų11541.1 Ų41.171%0.70625%0.245SC*.THydrogen-bonded Turntrans-69.5-5.2174.651.40000113.8H70T41-H70 PolarHBondContact O-CD2 3.4Å; T41-H70 PolarHBondContact O-NE2 3.39Å
42S89.6Confident91.8Very high33 Ų3349.3 Ų49.323%0.23128%0.283CS..THydrogen-bonded Turntrans-94.7-11.117546.40000112.5T40 H107T40-S42 WeakPolarHBondContact CB-OG 3.45Å; T40-S42 PolarHBondContact O-N 3.43Å; T40-S42 VanDerWaalsContact O-N 3.15Å; T40-S42 PolarHBondContact OG1-OG 3.04Å; S42-H107 PolarHBondContact O-NE2 2.87Å
43S92.9Very high91.5Very high1 Ų147.9 Ų47.91%0.00729%0.287CS..  trans-80.4142.7-179.562.80000112.1V35 E37 T40 Y67 H70V35-S43 CarbonylContact O-C 3.56Å; V35-S43 WeakPolarHBondContact O-CA 3.26Å; V35-S43 WeakPolarHBondContact O-CB 3.38Å; E37-S43 VanDerWaalsContact O-CB 3.26Å; E37-S43 WeakPolarHBondContact O-CB 3.27Å; E37-S43 PolarHBondContact O-OG 3.32Å; T40-S43 PolarHBondContact O-N 3.21Å; T40-S43 VanDerWaalsContact O-N 3.13Å; T40-S43 PolarHBondContact O-OG 3.43Å; T40-S43 PolarHBondContact OG1-N 3.09Å; S43-Y67 WeakPolarHBondContact O-CE1 3.21Å; S43-Y67 WeakPolarHBondContact OG-CE1 3.48Å; S43-Y67 PolarHBondContact OG-OH 3.06Å; S43-H70 PolarHBondContact O-CE1 3.41Å; S43-H70 PolarHBondContact O-NE2 3.24Å; S43-H70 VanDerWaalsContact O-NE2 3.14Å
44F94.6Very high91.5Very high0 Ų047.5 Ų47.50%029%0.285CS..EExtended strand (participates in β ladder)trans-151.9165.317863.6-94.8000111.6V35 V46 M63 N68 I71 L103 H107 F110 F114V35-F44 HydrophobicContact CB-CD1 4.27Å; V35-F44 HydrophobicContact CB-CD2 4.11Å; V35-F44 HydrophobicContact CB-CE1 4.07Å; V35-F44 HydrophobicContact CB-CE2 3.88Å; V35-F44 HydrophobicContact CB-CG 4.31Å; V35-F44 HydrophobicContact CB-CZ 3.86Å; V35-F44 HydrophobicContact CG1-CE1 4.08Å; V35-F44 HydrophobicContact CG1-CE2 4.39Å; V35-F44 HydrophobicContact CG1-CZ 3.9Å; V35-F44 HydrophobicContact CG2-CD2 3.91Å; V35-F44 HydrophobicContact CG2-CE2 3.51Å; V35-F44 HydrophobicContact CG2-CZ 3.88Å; V35-F44 PolarHBondContact N-O 3.35Å; V35-F44 PolarHBondContact O-N 3.18Å; F44-V46 HydrophobicContact CD2-CG2 3.86Å; F44-V46 HydrophobicContact CE2-CG2 3.65Å; F44-M63 HydrophobicContact CD2-CE 3.46Å; F44-M63 VanDerWaalsContact CD2-CE 3.46Å; F44-M63 HydrophobicContact CE2-CE 3.8Å; F44-M63 HydrophobicContact CG-CE 4.15Å; F44-N68 WeakPolarHBondContact CA-OD1 3.28Å; F44-N68 WeakPolarHBondContact CB-OD1 3.5Å; F44-I71 HydrophobicContact CB-CD1 3.37Å; F44-I71 HydrophobicContact CG-CD1 4.1Å; F44-L103 HydrophobicContact CE2-CD2 3.9Å; F44-L103 HydrophobicContact CZ-CD2 4.01Å; F44-H107 AromaticContact CE1-CD2 3.69Å; F44-F110 HydrophobicContact CE1-CB 4.17Å; F44-F110 HydrophobicContact CZ-CB 4.42Å; F44-F110 HydrophobicContact CZ-CD2 4.04Å; F44-F114 AromaticContact CD1-CE2 3.78Å; F44-F114 HydrophobicContact CD1-CE2 3.78Å; F44-F114 AromaticContact CD1-CZ 3.51Å; F44-F114 HydrophobicContact CD1-CZ 3.51Å; F44-F114 HydrophobicContact CE1-CE2 4.29Å; F44-F114 AromaticContact CE1-CZ 3.77Å; F44-F114 HydrophobicContact CE1-CZ 3.77Å; F44-F114 HydrophobicContact CG-CZ 4.31Å
45I95.6Very high91.4Very high15 Ų1545.1 Ų45.18%0.07728%0.277CS..EExtended strand (participates in β ladder)trans-116.4134.6-177.5-68.4-178.8000109.9E32 Y33 K34 Q47 Y67 N68E32-I45 VanDerWaalsContact CD-CG2 3.46Å; E32-I45 HydrophobicContact CG-CG2 3.18Å; Y33-I45 CarbonylContact O-C 3.5Å; Y33-I45 WeakPolarHBondContact O-CA 3.37Å; K34-I45 HydrophobicContact CB-CG1 4.43Å; K34-I45 HydrophobicContact CG-CG1 4.33Å; I45-Q47 HydrophobicContact CG2-CG 4.48Å; I45-Y67 HydrophobicContact CB-CD1 4.48Å; I45-Y67 HydrophobicContact CD1-CD1 3.96Å; I45-Y67 HydrophobicContact CD1-CD2 4.04Å; I45-Y67 HydrophobicContact CD1-CG 3.59Å; I45-Y67 HydrophobicContact CG1-CD1 3.73Å; I45-Y67 HydrophobicContact CG1-CE1 4.35Å; I45-Y67 HydrophobicContact CG1-CG 3.91Å; I45-N68 PolarHBondContact N-OD1 3.25Å; I45-N68 PolarHBondContact O-ND2 3.4Å
46V96.8Very high91.4Very high2 Ų251 Ų511%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-114.7128.5173-179.10000108.6Y33 V35 F44 V48 I61 M63 L83 L103Y33-V46 PolarHBondContact N-O 3.14Å; Y33-V46 PolarHBondContact O-N 2.95Å; V35-V46 HydrophobicContact CG2-CG2 4.39Å; F44-V46 HydrophobicContact CD2-CG2 3.86Å; F44-V46 HydrophobicContact CE2-CG2 3.65Å; V46-V48 HydrophobicContact CG1-CG2 4.17Å; V46-I61 HydrophobicContact CG1-CG2 3.86Å; V46-M63 HydrophobicContact CG2-CE 4.39Å; V46-M63 HydrophobicContact CG2-CG 4.41Å; V46-L83 HydrophobicContact CG1-CD1 3.95Å; V46-L83 HydrophobicContact CG2-CD1 4.49Å; V46-L103 HydrophobicContact CB-CD1 4.07Å; V46-L103 HydrophobicContact CG1-CD1 4.36Å; V46-L103 HydrophobicContact CG2-CD1 3.73Å; V46-L103 HydrophobicContact CG2-CD2 4.21Å
47Q96.6Very high91.6Very high63 Ų6352.8 Ų52.829%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-101.4131.3175.7-68.7174-3000109.1L31 E32 I45 I61 S62L31-Q47 CarbonylContact O-C 3.6Å; L31-Q47 VanDerWaalsContact O-CA 3.26Å; L31-Q47 WeakPolarHBondContact O-CA 3.07Å; E32-Q47 HydrophobicContact CB-CG 4.49Å; E32-Q47 HydrophobicContact CG-CG 4.16Å; E32-Q47 PolarHBondContact OE2-NE2 3.42Å; I45-Q47 HydrophobicContact CG2-CG 4.48Å; Q47-I61 CarbonylContact O-C 3.56Å; Q47-I61 WeakPolarHBondContact O-CA 3.46Å; Q47-S62 PolarHBondContact N-O 2.88Å; Q47-S62 PolarHBondContact O-N 2.74Å
48V96.8Very high92Very high9 Ų948.2 Ų48.26%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-127.3121.8179.7-176.50000107.8L31 V46 P59 C60L31-V48 WeakPolarHBondContact CA-O 3.43Å; L31-V48 HydrophobicContact CB-CB 4.29Å; L31-V48 WeakPolarHBondContact CB-O 3.44Å; L31-V48 WeakPolarHBondContact CD1-O 3.26Å; L31-V48 PolarHBondContact N-O 3.16Å; L31-V48 PolarHBondContact O-N 3Å; V46-V48 HydrophobicContact CG1-CG2 4.17Å; V48-P59 HydrophobicContact CG1-CB 3.7Å; V48-P59 HydrophobicContact CG1-CG 4.33Å; V48-C60 WeakPolarHBondContact CA-O 3.46Å
49Y96.3Very high92.8Very high90 Ų9045.6 Ų45.635%0.35327%0.27SS..EExtended strand (participates in β ladder)trans-109.1131.1175.5168.9-105.7000110D28 Y29 N30 P51 P59 C60D28-Y49 WeakPolarHBondContact O-CE2 3.43Å; Y29-Y49 WeakPolarHBondContact O-CA 3.46Å; N30-Y49 WeakPolarHBondContact OD1-CB 3.4Å; N30-Y49 VanDerWaalsContact OD1-CD2 3.28Å; N30-Y49 WeakPolarHBondContact OD1-CD2 3.44Å; Y49-P51 HydrophobicContact CE1-CB 4.04Å; Y49-P51 VanDerWaalsContact O-CD 3.27Å; Y49-P51 WeakPolarHBondContact O-CD 3.44Å; Y49-P59 CarbonylContact O-C 3.51Å; Y49-P59 WeakPolarHBondContact O-CA 3.4Å; Y49-P59 WeakPolarHBondContact O-CB 3.48Å; Y49-C60 HydrophobicContact CD1-CB 4.15Å; Y49-C60 PolarHBondContact N-O 2.62Å; Y49-C60 PolarHBondContact O-N 2.82Å
50W96.7Very high93.7Very high0 Ų045.5 Ų45.50%026%0.257CS..  trans-93.7105.7175.3-58.1-27000111.2R7 E10 A11 L14 Y29 L31 Y54 T96R7-W50 HydrophobicContact CB-CE3 3.66Å; R7-W50 HydrophobicContact CB-CZ3 4.01Å; R7-W50 HydrophobicContact CG-CB 4.13Å; R7-W50 HydrophobicContact CG-CD2 4.39Å; R7-W50 HydrophobicContact CG-CE3 3.86Å; R7-W50 PolarHBondContact NH1-O 3.39Å; R7-W50 WeakPolarHBondContact O-CZ3 3.33Å; E10-W50 HydrophobicContact CB-CH2 3.98Å; E10-W50 HydrophobicContact CB-CZ2 4.43Å; E10-W50 HydrophobicContact CG-CH2 3.85Å; E10-W50 HydrophobicContact CG-CZ2 3.91Å; A11-W50 HydrophobicContact CB-CH2 4.12Å; A11-W50 HydrophobicContact CB-CZ3 3.94Å; L14-W50 HydrophobicContact CD1-CH2 3.91Å; L14-W50 HydrophobicContact CD1-CZ2 3.78Å; Y29-W50 AromaticContact CD1-CE3 3.53Å; Y29-W50 HydrophobicContact CD1-CE3 3.53Å; Y29-W50 AromaticContact CD1-CZ3 3.79Å; Y29-W50 HydrophobicContact CD1-CZ3 3.79Å; Y29-W50 HydrophobicContact CE1-CE3 4.43Å; Y29-W50 HydrophobicContact CE1-CZ3 4.44Å; Y29-W50 AromaticContact CG-CE3 3.99Å; Y29-W50 HydrophobicContact CG-CE3 3.99Å; Y29-W50 PolarHBondContact O-N 3.41Å; Y29-W50 VanDerWaalsContact O-N 3.08Å; L31-W50 HydrophobicContact CD1-CD2 3.58Å; L31-W50 VanDerWaalsContact CD1-CE2 3.43Å; L31-W50 HydrophobicContact CD1-CE3 3.98Å; L31-W50 HydrophobicContact CD1-CG 4.06Å; L31-W50 HydrophobicContact CD1-CH2 4.14Å; L31-W50 HydrophobicContact CD1-CZ2 3.75Å; L31-W50 HydrophobicContact CD1-CZ3 4.22Å; L31-W50 HydrophobicContact CD2-CH2 3.82Å; L31-W50 HydrophobicContact CD2-CZ2 3.4Å; L31-W50 VanDerWaalsContact CD2-CZ2 3.4Å; L31-W50 HydrophobicContact CG-CZ2 4.25Å; W50-Y54 HydrophobicContact CB-CD1 4.22Å; W50-Y54 HydrophobicContact CB-CD2 4.28Å; W50-Y54 HydrophobicContact CB-CG 3.92Å; W50-Y54 AromaticContact CD1-CD2 3.83Å; W50-Y54 AromaticContact CD1-CE2 3.61Å; W50-Y54 AromaticContact CD1-CZ 3.75Å; W50-Y54 HydrophobicContact CD2-CD1 4.24Å; W50-Y54 HydrophobicContact CD2-CE1 4.08Å; W50-Y54 HydrophobicContact CG-CD1 4.02Å; W50-Y54 HydrophobicContact CG-CD2 4.14Å; W50-Y54 HydrophobicContact CG-CE1 4.13Å; W50-Y54 HydrophobicContact CG-CE2 4.24Å; W50-Y54 HydrophobicContact CG-CG 4Å; W50-Y54 AromaticContact NE1-CE2 3.87Å; W50-Y54 AromaticContact NE1-CZ 3.59Å; W50-T96 VanDerWaalsContact CZ2-OG1 3.23Å; W50-T96 WeakPolarHBondContact CZ2-OG1 3.28Å; W50-T96 PolarHBondContact NE1-OG1 3.11Å
51P94.8Very high94.2Very high21 Ų2144.5 Ų44.514%0.13625%0.249CC..  trans-67.7169.3177.131.3-36.2000111.6Y49 G53 Y54 V57 L58Y49-P51 HydrophobicContact CE1-CB 4.04Å; Y49-P51 VanDerWaalsContact O-CD 3.27Å; Y49-P51 WeakPolarHBondContact O-CD 3.44Å; P51-G53 PolarHBondContact O-N 3.04Å; P51-Y54 WeakPolarHBondContact O-CB 3.41Å; P51-Y54 PolarHBondContact O-N 3.32Å; P51-V57 HydrophobicContact CG-CB 4.26Å; P51-V57 HydrophobicContact CG-CG1 3.77Å; P51-L58 WeakPolarHBondContact CG-O 3.49Å
52E92.5Very high94.7Very high175 Ų17540.6 Ų40.682%0.81823%0.227SC*.THydrogen-bonded Turntrans-60128.3167.5-169.5175.8-173.200109.6
53G91.5Very high95Very high38 Ų3839.1 Ų39.139%0.39222%0.216SC..THydrogen-bonded Turntrans96.2-1.3-17500000115.2P51 D56 V57P51-G53 PolarHBondContact O-N 3.04Å; G53-D56 WeakPolarHBondContact O-CA 3.16Å; G53-D56 WeakPolarHBondContact O-CB 3.49Å; G53-D56 PolarHBondContact O-N 3.44Å; G53-V57 PolarHBondContact O-N 3.45Å
54Y94.5Very high94.9Very high4 Ų445 Ų452%0.01625%0.248CC..THydrogen-bonded Turntrans-61.4139.3165.8-179-86.1000110.7R7 E10 W50 P51 P59 L95 T96R7-Y54 HydrophobicContact CG-CD1 3.63Å; R7-Y54 HydrophobicContact CG-CG 4.27Å; E10-Y54 PolarHBondContact OE1-OH 2.92Å; E10-Y54 VanDerWaalsContact OE1-OH 3.13Å; E10-Y54 WeakPolarHBondContact OE2-CE1 3.48Å; E10-Y54 PolarHBondContact OE2-OH 3.14Å; W50-Y54 HydrophobicContact CB-CD1 4.22Å; W50-Y54 HydrophobicContact CB-CD2 4.28Å; W50-Y54 HydrophobicContact CB-CG 3.92Å; W50-Y54 AromaticContact CD1-CD2 3.83Å; W50-Y54 AromaticContact CD1-CE2 3.61Å; W50-Y54 AromaticContact CD1-CZ 3.75Å; W50-Y54 HydrophobicContact CD2-CD1 4.24Å; W50-Y54 HydrophobicContact CD2-CE1 4.08Å; W50-Y54 HydrophobicContact CG-CD1 4.02Å; W50-Y54 HydrophobicContact CG-CD2 4.14Å; W50-Y54 HydrophobicContact CG-CE1 4.13Å; W50-Y54 HydrophobicContact CG-CE2 4.24Å; W50-Y54 HydrophobicContact CG-CG 4Å; W50-Y54 AromaticContact NE1-CE2 3.87Å; W50-Y54 AromaticContact NE1-CZ 3.59Å; P51-Y54 WeakPolarHBondContact O-CB 3.41Å; P51-Y54 PolarHBondContact O-N 3.32Å; Y54-P59 HydrophobicContact CD2-CB 4.25Å; Y54-P59 HydrophobicContact CE2-CB 4.08Å; Y54-P59 HydrophobicContact CE2-CG 4.19Å; Y54-L95 HydrophobicContact CE2-CB 4.34Å; Y54-L95 HydrophobicContact CE2-CD1 3.9Å; Y54-L95 HydrophobicContact CE2-CG 4.31Å; Y54-L95 WeakPolarHBondContact OH-CB 3.26Å; Y54-L95 PolarHBondContact OH-N 3.46Å; Y54-T96 PolarHBondContact OH-OG1 3.08Å
55P94.1Very high94.8Very high17 Ų1745.9 Ų45.911%0.1125%0.254CS..THydrogen-bonded Turncis-90.54.88.735.4-36.8000115.9V57 G92 S93P55-V57 VanDerWaalsContact C-N 3.26Å; P55-G92 PolarHBondContact O-N 3.45Å; P55-S93 WeakPolarHBondContact CB-O 3.35Å
56D93.1Very high94.5Very high125 Ų12553.7 Ų53.767%0.66829%0.288SS*.THydrogen-bonded Turntrans-73.7-22.8177-61.3-46.2000112.1G53G53-D56 WeakPolarHBondContact O-CA 3.16Å; G53-D56 WeakPolarHBondContact O-CB 3.49Å; G53-D56 PolarHBondContact O-N 3.44Å
57V94.6Very high94.3Very high69 Ų6956.9 Ų56.942%0.41830%0.3SS..SBendtrans-105.1139.2174-178.40000110.1P51 G53 P55P51-V57 HydrophobicContact CG-CB 4.26Å; P51-V57 HydrophobicContact CG-CG1 3.77Å; G53-V57 PolarHBondContact O-N 3.45Å; P55-V57 VanDerWaalsContact C-N 3.26Å
58L95.1Very high94.1Very high53 Ų5353.9 Ų53.928%0.27729%0.286SS..  trans-57.6137.4177.4-75.8171.4000112.1P51 A87 E88 L91P51-L58 WeakPolarHBondContact CG-O 3.49Å; L58-A87 HydrophobicContact CD2-CB 3.71Å; L58-E88 HydrophobicContact CD1-CG 3.76Å; L58-E88 HydrophobicContact CD2-CB 4.49Å; L58-E88 HydrophobicContact CD2-CG 3.88Å; L58-E88 HydrophobicContact CG-CG 4.41Å; L58-L91 HydrophobicContact CD2-CD1 4.26Å; L58-L91 HydrophobicContact CD2-CD2 3.71Å; L58-L91 HydrophobicContact CD2-CG 4.05Å; L58-L91 HydrophobicContact CG-CD1 4.34Å; L58-L91 HydrophobicContact CG-CD2 3.94Å; L58-L91 HydrophobicContact CG-CG 4.5Å
59P96.1Very high93.9Very high8 Ų859.9 Ų59.95%0.05231%0.313CS..  trans-68.9151.2170.731.5-35.1000110.8V48 Y49 Y54 I61 A87 L95 L99V48-P59 HydrophobicContact CG1-CB 3.7Å; V48-P59 HydrophobicContact CG1-CG 4.33Å; Y49-P59 CarbonylContact O-C 3.51Å; Y49-P59 WeakPolarHBondContact O-CA 3.4Å; Y49-P59 WeakPolarHBondContact O-CB 3.48Å; Y54-P59 HydrophobicContact CD2-CB 4.25Å; Y54-P59 HydrophobicContact CE2-CB 4.08Å; Y54-P59 HydrophobicContact CE2-CG 4.19Å; P59-I61 HydrophobicContact CG-CG1 4.44Å; P59-A87 HydrophobicContact CG-CB 4.36Å; P59-L95 HydrophobicContact CG-CD1 4.1Å; P59-L99 HydrophobicContact CG-CD1 4.44Å
60C95.3Very high93.5Very high75 Ų7557.3 Ų57.351%0.50730%0.304SS..EExtended strand (participates in β ladder)trans-85.9114.5172.9-65.50000109.3V48 Y49V48-C60 WeakPolarHBondContact CA-O 3.46Å; Y49-C60 HydrophobicContact CD1-CB 4.15Å; Y49-C60 PolarHBondContact N-O 2.62Å; Y49-C60 PolarHBondContact O-N 2.82Å
61I96.5Very high93.3Very high21 Ų2157.7 Ų57.711%0.10831%0.306CS..EExtended strand (participates in β ladder)trans-103.1129.9-177.2-53.4179.8000109.3V46 Q47 P59 T80 L83 V84 L99V46-I61 HydrophobicContact CG1-CG2 3.86Å; Q47-I61 CarbonylContact O-C 3.56Å; Q47-I61 WeakPolarHBondContact O-CA 3.46Å; P59-I61 HydrophobicContact CG-CG1 4.44Å; I61-T80 HydrophobicContact CB-CG2 4.4Å; I61-T80 HydrophobicContact CG2-CG2 4.37Å; I61-L83 HydrophobicContact CD1-CB 3.71Å; I61-L83 HydrophobicContact CG2-CB 4.26Å; I61-L83 HydrophobicContact CG2-CD1 3.77Å; I61-V84 HydrophobicContact CD1-CG2 4.28Å; I61-L99 HydrophobicContact CD1-CD1 3.92Å; I61-L99 HydrophobicContact CD1-CD2 4.39Å
62S95.3Very high93.1Very high33 Ų3358 Ų5823%0.23131%0.308CS..EExtended strand (participates in β ladder)trans-139145-179.8-166.60000112.6Q47 N64Q47-S62 PolarHBondContact N-O 2.88Å; Q47-S62 PolarHBondContact O-N 2.74Å; S62-N64 WeakPolarHBondContact OG-CB 3.32Å; S62-N64 PolarHBondContact OG-N 3.44Å; S62-N64 PolarHBondContact OG-ND2 3.15Å
63M94.7Very high93.1Very high3 Ų354.6 Ų54.62%0.01530%0.295CS..  trans-115.826.2173.3-63.6-170.27500112.2F44 V46 S65 N68 I71 K76 I79F44-M63 HydrophobicContact CD2-CE 3.46Å; F44-M63 VanDerWaalsContact CD2-CE 3.46Å; F44-M63 HydrophobicContact CE2-CE 3.8Å; F44-M63 HydrophobicContact CG-CE 4.15Å; V46-M63 HydrophobicContact CG2-CE 4.39Å; V46-M63 HydrophobicContact CG2-CG 4.41Å; M63-S65 VanDerWaalsContact C-N 3.26Å; M63-S65 PolarHBondContact O-N 3.16Å; M63-N68 PolarHBondContact O-ND2 3.36Å; M63-I71 HydrophobicContact CE-CD1 4.29Å; M63-K76 HydrophobicContact CB-CB 4.18Å; M63-K76 HydrophobicContact CB-CD 4.28Å; M63-K76 HydrophobicContact CB-CG 4.27Å; M63-K76 PolarHBondContact O-NZ 2.83Å; M63-K76 HydrophobicContact SD-CB 4.25Å; M63-I79 HydrophobicContact CE-CB 4.4Å; M63-I79 HydrophobicContact CE-CD1 3.89Å; M63-I79 HydrophobicContact CE-CG2 4.12Å; M63-I79 HydrophobicContact SD-CB 3.56Å; M63-I79 VanDerWaalsContact SD-CB 3.56Å; M63-I79 HydrophobicContact SD-CD1 4.11Å; M63-I79 HydrophobicContact SD-CG1 4.44Å; M63-I79 HydrophobicContact SD-CG2 3.48Å; M63-I79 WeakPolarHBondContact SD-CG2 3.48Å
64N91.6Very high93.1Very high125 Ų12558 Ų5867%0.66830%0.304SS*.  trans-83.24.2-174.5-69.8-23.1000114.3S62 F66S62-N64 WeakPolarHBondContact OG-CB 3.32Å; S62-N64 PolarHBondContact OG-N 3.44Å; S62-N64 PolarHBondContact OG-ND2 3.15Å; N64-F66 PolarHBondContact O-N 3.13Å
65S91.3Very high93Very high18 Ų1858.3 Ų58.313%0.12631%0.307CS..  trans-54.5139.3172.6178.90000111.3M63 Y67 N68M63-S65 VanDerWaalsContact C-N 3.26Å; M63-S65 PolarHBondContact O-N 3.16Å; S65-Y67 PolarHBondContact O-N 2.81Å; S65-Y67 VanDerWaalsContact O-N 3.16Å; S65-Y67 PolarHBondContact OG-N 2.7Å; S65-N68 WeakPolarHBondContact O-CB 3.37Å; S65-N68 PolarHBondContact O-N 3.14Å
66F91.1Very high93.1Very high179 Ų17958.9 Ų58.979%0.78531%0.308SS*.G310 helixtrans-56.7-31.1177-179.2-100000111.8N64 N68 H69N64-F66 PolarHBondContact O-N 3.13Å; F66-N68 PolarHBondContact O-N 3.43Å; F66-N68 VanDerWaalsContact O-N 3.12Å; F66-H69 WeakPolarHBondContact O-CB 3.28Å; F66-H69 PolarHBondContact O-CD2 3.37Å; F66-H69 PolarHBondContact O-N 3.35Å; F66-H69 VanDerWaalsContact O-N 3.09Å
67Y91.5Very high93.2Very high69 Ų6957.4 Ų57.427%0.27130%0.297SS..G310 helixtrans-54.2-32.2175.3-166.4-92.5000112.8S43 I45 S65 H69 H70S43-Y67 WeakPolarHBondContact O-CE1 3.21Å; S43-Y67 WeakPolarHBondContact OG-CE1 3.48Å; S43-Y67 PolarHBondContact OG-OH 3.06Å; I45-Y67 HydrophobicContact CB-CD1 4.48Å; I45-Y67 HydrophobicContact CD1-CD1 3.96Å; I45-Y67 HydrophobicContact CD1-CD2 4.04Å; I45-Y67 HydrophobicContact CD1-CG 3.59Å; I45-Y67 HydrophobicContact CG1-CD1 3.73Å; I45-Y67 HydrophobicContact CG1-CE1 4.35Å; I45-Y67 HydrophobicContact CG1-CG 3.91Å; S65-Y67 PolarHBondContact O-N 2.81Å; S65-Y67 VanDerWaalsContact O-N 3.16Å; S65-Y67 PolarHBondContact OG-N 2.7Å; Y67-H69 PolarHBondContact O-N 2.71Å; Y67-H70 PolarHBondContact O-CE1 2.9Å; Y67-H70 PolarHBondContact O-ND1 2.96Å
68N93.7Very high93.2Very high0 Ų058.6 Ų58.60%030%0.296CS..G310 helixtrans-84.815-177.4-59.9-17.7000113.6F44 I45 M63 S65 F66 H70 I71 K76F44-N68 WeakPolarHBondContact CA-OD1 3.28Å; F44-N68 WeakPolarHBondContact CB-OD1 3.5Å; I45-N68 PolarHBondContact N-OD1 3.25Å; I45-N68 PolarHBondContact O-ND2 3.4Å; M63-N68 PolarHBondContact O-ND2 3.36Å; S65-N68 WeakPolarHBondContact O-CB 3.37Å; S65-N68 PolarHBondContact O-N 3.14Å; F66-N68 PolarHBondContact O-N 3.43Å; F66-N68 VanDerWaalsContact O-N 3.12Å; N68-H70 PolarHBondContact O-N 2.91Å; N68-H70 VanDerWaalsContact O-N 3.09Å; N68-I71 HydrophobicContact CB-CD1 3.87Å; N68-I71 HydrophobicContact CB-CG1 4.47Å; N68-I71 PolarHBondContact O-N 3.44Å; N68-I71 VanDerWaalsContact O-N 3.14Å; N68-K76 WeakPolarHBondContact O-CE 3.18Å; N68-K76 PolarHBondContact O-NZ 2.9Å
69H90.7Very high93.2Very high135 Ų13556.1 Ų56.163%0.62528%0.283SS*.G310 helixtrans-59.2-22.9-177.768.972000113.4F66 Y67 I71F66-H69 WeakPolarHBondContact O-CB 3.28Å; F66-H69 PolarHBondContact O-CD2 3.37Å; F66-H69 PolarHBondContact O-N 3.35Å; F66-H69 VanDerWaalsContact O-N 3.09Å; Y67-H69 PolarHBondContact O-N 2.71Å; H69-I71 VanDerWaalsContact C-N 3.33Å
70H89.3Confident93.2Very high35 Ų3557.2 Ų57.216%0.16229%0.29CS..G310 helixtrans-84.1-8.8-176.963.3-84.8000113.3T41 S43 Y67 N68T41-H70 PolarHBondContact O-CD2 3.4Å; T41-H70 PolarHBondContact O-NE2 3.39Å; S43-H70 PolarHBondContact O-CE1 3.41Å; S43-H70 PolarHBondContact O-NE2 3.24Å; S43-H70 VanDerWaalsContact O-NE2 3.14Å; Y67-H70 PolarHBondContact O-CE1 2.9Å; Y67-H70 PolarHBondContact O-ND1 2.96Å; N68-H70 PolarHBondContact O-N 2.91Å; N68-H70 VanDerWaalsContact O-N 3.09Å
71I91.9Very high93.2Very high8 Ų860 Ų604%0.04130%0.295CS..SBendtrans-96127.4-176.9-51.3172.9000109F44 M63 N68 H69 V75 K76 F114F44-I71 HydrophobicContact CB-CD1 3.37Å; F44-I71 HydrophobicContact CG-CD1 4.1Å; M63-I71 HydrophobicContact CE-CD1 4.29Å; N68-I71 HydrophobicContact CB-CD1 3.87Å; N68-I71 HydrophobicContact CB-CG1 4.47Å; N68-I71 PolarHBondContact O-N 3.44Å; N68-I71 VanDerWaalsContact O-N 3.14Å; H69-I71 VanDerWaalsContact C-N 3.33Å; I71-V75 HydrophobicContact CG2-CB 3.95Å; I71-V75 HydrophobicContact CG2-CG1 4.07Å; I71-K76 HydrophobicContact CB-CG 4.1Å; I71-K76 HydrophobicContact CG2-CG 3.72Å; I71-K76 WeakPolarHBondContact O-CE 3.46Å; I71-F114 HydrophobicContact CD1-CE1 4.23Å; I71-F114 HydrophobicContact CD1-CE2 4.3Å; I71-F114 HydrophobicContact CD1-CZ 3.94Å; I71-F114 HydrophobicContact CG1-CD1 4.33Å; I71-F114 HydrophobicContact CG1-CD2 4.46Å; I71-F114 HydrophobicContact CG1-CE1 4.2Å; I71-F114 HydrophobicContact CG1-CE2 4.32Å; I71-F114 HydrophobicContact CG1-CG 4.49Å; I71-F114 HydrophobicContact CG1-CZ 4.2Å; I71-F114 HydrophobicContact CG2-CD1 3.75Å; I71-F114 HydrophobicContact CG2-CE1 3.66Å; I71-F114 HydrophobicContact CG2-CZ 4.42Å
72P91.1Very high93.2Very high29 Ų2960.5 Ų60.519%0.18830%0.297CS..  trans-58.8145174.2-18.829000112.1N74 V75 K76 D117P72-N74 VanDerWaalsContact C-N 3.31Å; P72-N74 PolarHBondContact O-N 3.34Å; P72-V75 HydrophobicContact CB-CG2 4.15Å; P72-V75 HydrophobicContact CG-CG2 4.11Å; P72-V75 PolarHBondContact O-N 2.92Å; P72-K76 PolarHBondContact O-N 3.48Å; P72-K76 VanDerWaalsContact O-N 3.11Å; P72-D117 HydrophobicContact CB-CB 4.22Å; P72-D117 HydrophobicContact CG-CB 3.73Å
73L91.8Very high93.3Very high103 Ų10359 Ų5954%0.53929%0.286SS..Hα-helixtrans-54.7-45.9179.7-179.262.1000112.2V75 K76 E77L73-V75 PolarHBondContact O-N 3.08Å; L73-V75 VanDerWaalsContact O-N 3.16Å; L73-K76 WeakPolarHBondContact O-CA 3.45Å; L73-K76 WeakPolarHBondContact O-CB 3.33Å; L73-K76 PolarHBondContact O-N 2.74Å; L73-E77 HydrophobicContact CD1-CG 4.21Å; L73-E77 HydrophobicContact CG-CG 4.3Å; L73-E77 WeakPolarHBondContact O-CG 3.49Å; L73-E77 PolarHBondContact O-N 3Å
74N92.2Very high93.3Very high108 Ų10861 Ų6158%0.57830%0.299SS*.Hα-helixtrans-55.1-36.7178.3-56.7-5000112.6P72 K78P72-N74 VanDerWaalsContact C-N 3.31Å; P72-N74 PolarHBondContact O-N 3.34Å; N74-K78 WeakPolarHBondContact O-CB 3.43Å; N74-K78 PolarHBondContact O-N 2.67Å; N74-K78 VanDerWaalsContact O-N 3.08Å
75V92.7Very high93.5Very high12 Ų1258.8 Ų58.87%0.07329%0.293CS..Hα-helixtrans-75.4-38.7178.8-176.90000110.7I71 P72 L73 K78 I79 F114I71-V75 HydrophobicContact CG2-CB 3.95Å; I71-V75 HydrophobicContact CG2-CG1 4.07Å; P72-V75 HydrophobicContact CB-CG2 4.15Å; P72-V75 HydrophobicContact CG-CG2 4.11Å; P72-V75 PolarHBondContact O-N 2.92Å; L73-V75 PolarHBondContact O-N 3.08Å; L73-V75 VanDerWaalsContact O-N 3.16Å; V75-K78 PolarHBondContact O-N 3.24Å; V75-I79 HydrophobicContact CG1-CD1 3.86Å; V75-I79 HydrophobicContact CG1-CG1 4.38Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.28Å; V75-I79 PolarHBondContact O-N 3.17Å; V75-F114 HydrophobicContact CG1-CD1 3.76Å; V75-F114 HydrophobicContact CG1-CE1 3.65Å
76K94.7Very high93.7Very high29 Ų2959.4 Ų59.413%0.12630%0.296CS..Hα-helixtrans-61.2-45.6174.1-63.5-175-178.2-164.40111.7M63 N68 I71 P72 L73 I79 T80M63-K76 HydrophobicContact CB-CB 4.18Å; M63-K76 HydrophobicContact CB-CD 4.28Å; M63-K76 HydrophobicContact CB-CG 4.27Å; M63-K76 PolarHBondContact O-NZ 2.83Å; M63-K76 HydrophobicContact SD-CB 4.25Å; N68-K76 WeakPolarHBondContact O-CE 3.18Å; N68-K76 PolarHBondContact O-NZ 2.9Å; I71-K76 HydrophobicContact CB-CG 4.1Å; I71-K76 HydrophobicContact CG2-CG 3.72Å; I71-K76 WeakPolarHBondContact O-CE 3.46Å; P72-K76 PolarHBondContact O-N 3.48Å; P72-K76 VanDerWaalsContact O-N 3.11Å; L73-K76 WeakPolarHBondContact O-CA 3.45Å; L73-K76 WeakPolarHBondContact O-CB 3.33Å; L73-K76 PolarHBondContact O-N 2.74Å; K76-I79 PolarHBondContact O-N 3.38Å; K76-T80 WeakPolarHBondContact O-CB 3.24Å; K76-T80 PolarHBondContact O-N 2.9Å; K76-T80 PolarHBondContact O-OG1 2.92Å
77E95Very high93.9Very high94 Ų9451 Ų5144%0.43926%0.259SS..Hα-helixtrans-59.6-49.7177.2-72.1172.2166.800110.1L73 I79 T80 E81L73-E77 HydrophobicContact CD1-CG 4.21Å; L73-E77 HydrophobicContact CG-CG 4.3Å; L73-E77 WeakPolarHBondContact O-CG 3.49Å; L73-E77 PolarHBondContact O-N 3Å; E77-I79 PolarHBondContact O-N 3.02Å; E77-T80 WeakPolarHBondContact O-CB 3.27Å; E77-T80 PolarHBondContact O-N 2.84Å; E77-T80 VanDerWaalsContact O-N 3.13Å; E77-E81 WeakPolarHBondContact O-CB 3.36Å; E77-E81 WeakPolarHBondContact O-CG 3.39Å; E77-E81 PolarHBondContact O-N 2.78Å
78K94.7Very high94Very high94 Ų9452.9 Ų52.941%0.40927%0.271SS..Hα-helixtrans-58-45.3177.1-176.2178.3-179.5179.10113.5N74 V75 T80 E81 E82N74-K78 WeakPolarHBondContact O-CB 3.43Å; N74-K78 PolarHBondContact O-N 2.67Å; N74-K78 VanDerWaalsContact O-N 3.08Å; V75-K78 PolarHBondContact O-N 3.24Å; K78-T80 VanDerWaalsContact C-N 3.32Å; K78-E81 PolarHBondContact O-N 2.97Å; K78-E82 VanDerWaalsContact CE-OE1 3.28Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.4Å
79I95.5Very high94Very high0 Ų056.2 Ų56.20%031%0.305CS..Hα-helixtrans-63.7-43.3177.5-67165.8000109.8M63 V75 K76 E77 E81 E82 L83 L103 F110 F114M63-I79 HydrophobicContact CE-CB 4.4Å; M63-I79 HydrophobicContact CE-CD1 3.89Å; M63-I79 HydrophobicContact CE-CG2 4.12Å; M63-I79 HydrophobicContact SD-CB 3.56Å; M63-I79 VanDerWaalsContact SD-CB 3.56Å; M63-I79 HydrophobicContact SD-CD1 4.11Å; M63-I79 HydrophobicContact SD-CG1 4.44Å; M63-I79 HydrophobicContact SD-CG2 3.48Å; M63-I79 WeakPolarHBondContact SD-CG2 3.48Å; V75-I79 HydrophobicContact CG1-CD1 3.86Å; V75-I79 HydrophobicContact CG1-CG1 4.38Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.28Å; V75-I79 PolarHBondContact O-N 3.17Å; K76-I79 PolarHBondContact O-N 3.38Å; E77-I79 PolarHBondContact O-N 3.02Å; I79-E81 PolarHBondContact O-N 3.32Å; I79-E82 PolarHBondContact O-N 2.78Å; I79-L83 HydrophobicContact CG2-CD1 4.03Å; I79-L83 HydrophobicContact CG2-CG 4.39Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 2.92Å; I79-L83 PolarHBondContact O-N 2.82Å; I79-L103 HydrophobicContact CG2-CD2 4.27Å; I79-F110 HydrophobicContact CD1-CB 3.91Å; I79-F110 HydrophobicContact CD1-CD1 4.03Å; I79-F110 HydrophobicContact CD1-CD2 4.45Å; I79-F110 HydrophobicContact CD1-CG 3.88Å; I79-F110 HydrophobicContact CG1-CB 4.39Å; I79-F110 HydrophobicContact CG1-CD1 3.53Å; I79-F110 HydrophobicContact CG1-CD2 4.35Å; I79-F110 HydrophobicContact CG1-CE1 3.8Å; I79-F110 HydrophobicContact CG1-CG 3.84Å; I79-F110 HydrophobicContact CG1-CZ 4.3Å; I79-F110 HydrophobicContact CG2-CE2 4.46Å; I79-F114 HydrophobicContact CD1-CE1 4.04Å; I79-F114 HydrophobicContact CD1-CZ 4.42Å
80T96.4Very high94Very high31 Ų3152.3 Ų52.319%0.1929%0.287CS..Hα-helixtrans-62.7-43.6178.8-530000111I61 K76 E77 K78 L83 V84I61-T80 HydrophobicContact CB-CG2 4.4Å; I61-T80 HydrophobicContact CG2-CG2 4.37Å; K76-T80 WeakPolarHBondContact O-CB 3.24Å; K76-T80 PolarHBondContact O-N 2.9Å; K76-T80 PolarHBondContact O-OG1 2.92Å; E77-T80 WeakPolarHBondContact O-CB 3.27Å; E77-T80 PolarHBondContact O-N 2.84Å; E77-T80 VanDerWaalsContact O-N 3.13Å; K78-T80 VanDerWaalsContact C-N 3.32Å; T80-L83 PolarHBondContact O-N 2.85Å; T80-V84 HydrophobicContact CG2-CG2 4.46Å; T80-V84 VanDerWaalsContact O-CG2 3.28Å; T80-V84 WeakPolarHBondContact O-CG2 3.3Å; T80-V84 PolarHBondContact O-N 2.85Å
81E96.1Very high94.2Very high134 Ų13454.5 Ų54.563%0.62630%0.299SS*.Hα-helixtrans-60.4-45.6175.1-73.7172.9-178.100112.2E77 K78 I79 L83 V84 S85E77-E81 WeakPolarHBondContact O-CB 3.36Å; E77-E81 WeakPolarHBondContact O-CG 3.39Å; E77-E81 PolarHBondContact O-N 2.78Å; K78-E81 PolarHBondContact O-N 2.97Å; I79-E81 PolarHBondContact O-N 3.32Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 2.84Å; E81-V84 PolarHBondContact O-N 3.01Å; E81-S85 WeakPolarHBondContact O-CB 3.29Å; E81-S85 PolarHBondContact O-N 2.91Å
82E96.2Very high94.1Very high32 Ų3256.2 Ų56.215%0.1532%0.319CS..Hα-helixtrans-61.7-41.8176.7-73.2-174.9-161.200111.1K78 I79 S85 V86 Y102 R109 F110K78-E82 VanDerWaalsContact CE-OE1 3.28Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.4Å; I79-E82 PolarHBondContact O-N 2.78Å; E82-S85 WeakPolarHBondContact O-CB 3.39Å; E82-S85 PolarHBondContact O-N 3.13Å; E82-V86 WeakPolarHBondContact O-CG2 3.36Å; E82-V86 PolarHBondContact O-N 2.79Å; E82-V86 VanDerWaalsContact O-N 3.08Å; E82-Y102 HydrophobicContact CB-CE1 4.2Å; E82-Y102 PolarHBondContact OE2-OH 3.36Å; E82-Y102 VanDerWaalsContact OE2-OH 3.1Å; E82-R109 IonicContact OE1-CZ 3.41Å; E82-R109 IonicContact OE1-NH1 3.22Å; E82-R109 PolarHBondContact OE1-NH1 2.87Å; E82-R109 IonicContact OE1-NH2 3.2Å; E82-R109 PolarHBondContact OE1-NH2 2.87Å; E82-R109 IonicContact OE2-CZ 2.75Å; E82-R109 IonicContact OE2-NH1 2.81Å; E82-R109 PolarHBondContact OE2-NH1 2.83Å; E82-R109 IonicContact OE2-NH2 3.52Å; E82-F110 WeakPolarHBondContact OE2-CE1 3.36Å
83L96.5Very high94.1Very high1 Ų157.2 Ų57.21%0.00533%0.327CS..Hα-helixtrans-68.1-39.8177.6-67.8173000113.3V46 I61 I79 T80 E81 S85 V86 A87 L99 Y102 L103V46-L83 HydrophobicContact CG1-CD1 3.95Å; V46-L83 HydrophobicContact CG2-CD1 4.49Å; I61-L83 HydrophobicContact CD1-CB 3.71Å; I61-L83 HydrophobicContact CG2-CB 4.26Å; I61-L83 HydrophobicContact CG2-CD1 3.77Å; I79-L83 HydrophobicContact CG2-CD1 4.03Å; I79-L83 HydrophobicContact CG2-CG 4.39Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 2.92Å; I79-L83 PolarHBondContact O-N 2.82Å; T80-L83 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 2.84Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.49Å; L83-V86 PolarHBondContact O-N 3.37Å; L83-A87 PolarHBondContact O-N 3.28Å; L83-L99 HydrophobicContact CB-CD2 4.33Å; L83-L99 HydrophobicContact CD2-CD2 4.12Å; L83-L99 WeakPolarHBondContact O-CD2 3.49Å; L83-Y102 HydrophobicContact CD2-CD1 3.84Å; L83-Y102 HydrophobicContact CD2-CE1 4.47Å; L83-L103 HydrophobicContact CD1-CD1 4.38Å; L83-L103 HydrophobicContact CD1-CD2 4.08Å; L83-L103 HydrophobicContact CD1-CG 4.45Å; L83-L103 HydrophobicContact CD2-CD1 4.29Å; L83-L103 HydrophobicContact CD2-CD2 3.92Å; L83-L103 HydrophobicContact CD2-CG 3.79Å; L83-L103 HydrophobicContact CG-CD2 4.41Å
84V96Very high94.2Very high46 Ų4654.7 Ų54.728%0.27932%0.321SS..Hα-helixtrans-63-41.1175.1170.70000110I61 T80 E81 V86 A87 E88I61-V84 HydrophobicContact CD1-CG2 4.28Å; T80-V84 HydrophobicContact CG2-CG2 4.46Å; T80-V84 VanDerWaalsContact O-CG2 3.28Å; T80-V84 WeakPolarHBondContact O-CG2 3.3Å; T80-V84 PolarHBondContact O-N 2.85Å; E81-V84 PolarHBondContact O-N 3.01Å; V84-V86 VanDerWaalsContact C-N 3.33Å; V84-V86 PolarHBondContact O-N 3.26Å; V84-A87 WeakPolarHBondContact O-CB 3.49Å; V84-A87 PolarHBondContact O-N 3.5Å; V84-E88 HydrophobicContact CG1-CG 4.5Å; V84-E88 WeakPolarHBondContact O-CG 3.33Å; V84-E88 PolarHBondContact O-N 3.31Å
85S95.5Very high94.3Very high77 Ų7749.5 Ų49.554%0.53829%0.293SS..Hα-helixtrans-60.5-40175.5-168.40000112.8E81 E82 L83 G89E81-S85 WeakPolarHBondContact O-CB 3.29Å; E81-S85 PolarHBondContact O-N 2.91Å; E82-S85 WeakPolarHBondContact O-CB 3.39Å; E82-S85 PolarHBondContact O-N 3.13Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.49Å; S85-G89 PolarHBondContact O-N 2.81Å
86V95.1Very high94.5Very high32 Ų3249.1 Ų49.119%0.19429%0.29CS..Hα-helixtrans-65.3-43.8173.4174.30000111.2E82 L83 V84 E88 G89 L99 Y102E82-V86 WeakPolarHBondContact O-CG2 3.36Å; E82-V86 PolarHBondContact O-N 2.79Å; E82-V86 VanDerWaalsContact O-N 3.08Å; L83-V86 PolarHBondContact O-N 3.37Å; V84-V86 VanDerWaalsContact C-N 3.33Å; V84-V86 PolarHBondContact O-N 3.26Å; V86-E88 PolarHBondContact O-N 2.97Å; V86-G89 PolarHBondContact O-N 3.33Å; V86-L99 HydrophobicContact CB-CD2 4.08Å; V86-L99 HydrophobicContact CG1-CD2 3.94Å; V86-Y102 HydrophobicContact CG2-CD1 4.21Å; V86-Y102 HydrophobicContact CG2-CD2 3.8Å; V86-Y102 HydrophobicContact CG2-CE1 4.24Å; V86-Y102 HydrophobicContact CG2-CE2 3.82Å; V86-Y102 HydrophobicContact CG2-CG 3.99Å
87A95.3Very high94.5Very high1 Ų151.6 Ų51.61%0.00830%0.302CS..Hα-helixtrans-62.4-40.6179.200000112.6L58 P59 L83 V84 G89 Q90 L91 L95 L99L58-A87 HydrophobicContact CD2-CB 3.71Å; P59-A87 HydrophobicContact CG-CB 4.36Å; L83-A87 PolarHBondContact O-N 3.28Å; V84-A87 WeakPolarHBondContact O-CB 3.49Å; V84-A87 PolarHBondContact O-N 3.5Å; A87-G89 VanDerWaalsContact C-N 3.28Å; A87-G89 PolarHBondContact O-N 3.38Å; A87-Q90 PolarHBondContact O-N 3.09Å; A87-L91 PolarHBondContact O-N 3.44Å; A87-L95 HydrophobicContact CB-CD1 4.2Å; A87-L99 HydrophobicContact CB-CD2 4.35Å
88E94.5Very high94.5Very high110 Ų11050.9 Ų50.951%0.51430%0.298SS..Hα-helixtrans-59.7-37.4176.2-77.2177.6172.400112.7L58 V84 V86 Q90L58-E88 HydrophobicContact CD1-CG 3.76Å; L58-E88 HydrophobicContact CD2-CB 4.49Å; L58-E88 HydrophobicContact CD2-CG 3.88Å; L58-E88 HydrophobicContact CG-CG 4.41Å; V84-E88 HydrophobicContact CG1-CG 4.5Å; V84-E88 WeakPolarHBondContact O-CG 3.33Å; V84-E88 PolarHBondContact O-N 3.31Å; V86-E88 PolarHBondContact O-N 2.97Å; E88-Q90 PolarHBondContact O-N 2.99Å
89G92.1Very high94.6Very high70 Ų7046.6 Ų46.672%0.72228%0.28SS*.THydrogen-bonded Turntrans-71.1-13.2179.900000114.9S85 V86 A87S85-G89 PolarHBondContact O-N 2.81Å; V86-G89 PolarHBondContact O-N 3.33Å; A87-G89 VanDerWaalsContact C-N 3.28Å; A87-G89 PolarHBondContact O-N 3.38Å
90Q90.6Very high94.6Very high53 Ų5346.8 Ų46.825%0.24828%0.281CS..THydrogen-bonded Turntrans-126.513.6-171.4-65-168.3-71.800113.7A87 E88 S93 L95 H98A87-Q90 PolarHBondContact O-N 3.09Å; E88-Q90 PolarHBondContact O-N 2.99Å; Q90-S93 PolarHBondContact O-N 3.04Å; Q90-S93 PolarHBondContact O-OG 2.95Å; Q90-L95 HydrophobicContact CB-CD2 3.19Å; Q90-L95 HydrophobicContact CG-CD2 4.48Å; Q90-L95 WeakPolarHBondContact O-CD2 3.4Å; Q90-H98 PolarHBondContact NE2-CD2 3.31Å; Q90-H98 PolarHBondContact NE2-CE1 3.24Å; Q90-H98 PolarHBondContact NE2-ND1 2.98Å; Q90-H98 PolarHBondContact NE2-NE2 3.37Å; Q90-H98 VanDerWaalsContact OE1-CG 3.27Å
91L93.3Very high94.5Very high80 Ų8048.8 Ų48.842%0.41929%0.288SS..THydrogen-bonded Turntrans-50.5144.8177.4-79.1172.2000112.7L58 A87 S93L58-L91 HydrophobicContact CD2-CD1 4.26Å; L58-L91 HydrophobicContact CD2-CD2 3.71Å; L58-L91 HydrophobicContact CD2-CG 4.05Å; L58-L91 HydrophobicContact CG-CD1 4.34Å; L58-L91 HydrophobicContact CG-CD2 3.94Å; L58-L91 HydrophobicContact CG-CG 4.5Å; A87-L91 PolarHBondContact O-N 3.44Å; L91-S93 VanDerWaalsContact C-N 3.34Å
92G90.9Very high94.5Very high44 Ų4445 Ų4545%0.45427%0.268SS..THydrogen-bonded Turntrans82.38.4-176.300000114.3P55P55-G92 PolarHBondContact O-N 3.45Å
93S92.1Very high94.5Very high51 Ų5143.7 Ų43.736%0.35726%0.262SS..SBendtrans-141.1166.9174.872.80000111.6P55 Q90 L91 L95P55-S93 WeakPolarHBondContact CB-O 3.35Å; Q90-S93 PolarHBondContact O-N 3.04Å; Q90-S93 PolarHBondContact O-OG 2.95Å; L91-S93 VanDerWaalsContact C-N 3.34Å; S93-L95 WeakPolarHBondContact O-CG 3.36Å; S93-L95 PolarHBondContact O-N 3.14Å
94A93.2Very high94.4Very high49 Ų4947.7 Ų47.741%0.40528%0.28SS..  trans-61.1116.7176.800000111.8E10 H98E10-A94 HydrophobicContact CB-CB 4.5Å; E10-A94 VanDerWaalsContact CD-CB 3.47Å; E10-A94 HydrophobicContact CG-CB 4.03Å; E10-A94 WeakPolarHBondContact OE2-CA 3.43Å; E10-A94 WeakPolarHBondContact OE2-CB 3.5Å; A94-H98 PolarHBondContact O-ND1 2.97Å; A94-H98 VanDerWaalsContact O-ND1 3.15Å
95L94.8Very high94.4Very high0 Ų052.2 Ų52.20%030%0.297CS..  trans-97.1-31.5-169.1-63.9174.9000112.9E10 Y54 P59 A87 Q90 S93 F97 H98 L99E10-L95 PolarHBondContact OE1-N 2.92Å; Y54-L95 HydrophobicContact CE2-CB 4.34Å; Y54-L95 HydrophobicContact CE2-CD1 3.9Å; Y54-L95 HydrophobicContact CE2-CG 4.31Å; Y54-L95 WeakPolarHBondContact OH-CB 3.26Å; Y54-L95 PolarHBondContact OH-N 3.46Å; P59-L95 HydrophobicContact CG-CD1 4.1Å; A87-L95 HydrophobicContact CB-CD1 4.2Å; Q90-L95 HydrophobicContact CB-CD2 3.19Å; Q90-L95 HydrophobicContact CG-CD2 4.48Å; Q90-L95 WeakPolarHBondContact O-CD2 3.4Å; S93-L95 WeakPolarHBondContact O-CG 3.36Å; S93-L95 PolarHBondContact O-N 3.14Å; L95-F97 PolarHBondContact O-N 3.19Å; L95-H98 WeakPolarHBondContact O-CB 3.46Å; L95-H98 PolarHBondContact O-N 3.01Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.09Å
96T95.5Very high94.3Very high3 Ų350 Ų502%0.01828%0.28CS..Hα-helixtrans-68.6-38.7-160.1-480000111.7E10 L14 L31 W50 Y54 H98 L99 I100E10-T96 WeakPolarHBondContact OE1-CB 3.3Å; E10-T96 PolarHBondContact OE1-N 3.06Å; E10-T96 PolarHBondContact OE1-OG1 3.12Å; L14-T96 HydrophobicContact CD1-CG2 3.87Å; L31-T96 HydrophobicContact CD2-CG2 3.85Å; W50-T96 VanDerWaalsContact CZ2-OG1 3.23Å; W50-T96 WeakPolarHBondContact CZ2-OG1 3.28Å; W50-T96 PolarHBondContact NE1-OG1 3.11Å; Y54-T96 PolarHBondContact OH-OG1 3.08Å; T96-H98 VanDerWaalsContact C-N 3.28Å; T96-H98 PolarHBondContact O-N 2.75Å; T96-L99 PolarHBondContact O-N 3.45Å; T96-I100 HydrophobicContact CG2-CD1 4.1Å; T96-I100 WeakPolarHBondContact O-CG1 3.43Å; T96-I100 PolarHBondContact O-N 3.02Å
97F95.4Very high94.2Very high82 Ų8250.1 Ų50.136%0.3628%0.278SS..Hα-helixtrans-57.3-43.4174.3179.7-96.9000111.7L14 I17 F18 L95 I100 E101L14-F97 HydrophobicContact CD2-CB 4.22Å; I17-F97 HydrophobicContact CD1-CD2 4.13Å; I17-F97 HydrophobicContact CD1-CE2 4.33Å; I17-F97 HydrophobicContact CG2-CE2 4.24Å; F18-F97 HydrophobicContact CE2-CD2 4.08Å; F18-F97 HydrophobicContact CZ-CD2 4.07Å; F18-F97 HydrophobicContact CZ-CE2 4.29Å; L95-F97 PolarHBondContact O-N 3.19Å; F97-I100 PolarHBondContact O-N 3.34Å; F97-E101 PolarHBondContact O-N 3.1Å
98H94.5Very high94.1Very high78 Ų7856.4 Ų56.436%0.36131%0.307SS..Hα-helixtrans-67.6-38.8178.4-6399.2000112.4Q90 A94 L95 T96 I100 E101 Y102Q90-H98 PolarHBondContact NE2-CD2 3.31Å; Q90-H98 PolarHBondContact NE2-CE1 3.24Å; Q90-H98 PolarHBondContact NE2-ND1 2.98Å; Q90-H98 PolarHBondContact NE2-NE2 3.37Å; Q90-H98 VanDerWaalsContact OE1-CG 3.27Å; A94-H98 PolarHBondContact O-ND1 2.97Å; A94-H98 VanDerWaalsContact O-ND1 3.15Å; L95-H98 WeakPolarHBondContact O-CB 3.46Å; L95-H98 PolarHBondContact O-N 3.01Å; T96-H98 VanDerWaalsContact C-N 3.28Å; T96-H98 PolarHBondContact O-N 2.75Å; H98-I100 VanDerWaalsContact C-N 3.33Å; H98-E101 PolarHBondContact O-N 3.49Å; H98-Y102 WeakPolarHBondContact O-CB 3.44Å; H98-Y102 PolarHBondContact O-N 2.93Å
99L96.3Very high94Very high5 Ų556.2 Ų56.23%0.02630%0.302CS..Hα-helixtrans-62.2-42174.2-65.7176.4000111.5P59 I61 L83 V86 A87 L95 T96 Y102 L103P59-L99 HydrophobicContact CG-CD1 4.44Å; I61-L99 HydrophobicContact CD1-CD1 3.92Å; I61-L99 HydrophobicContact CD1-CD2 4.39Å; L83-L99 HydrophobicContact CB-CD2 4.33Å; L83-L99 HydrophobicContact CD2-CD2 4.12Å; L83-L99 WeakPolarHBondContact O-CD2 3.49Å; V86-L99 HydrophobicContact CB-CD2 4.08Å; V86-L99 HydrophobicContact CG1-CD2 3.94Å; A87-L99 HydrophobicContact CB-CD2 4.35Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.09Å; T96-L99 PolarHBondContact O-N 3.45Å; L99-Y102 PolarHBondContact O-N 3.06Å; L99-L103 WeakPolarHBondContact O-CB 3.35Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 2.98Å
100I95.6Very high94Very high4 Ų453 Ų532%0.02127%0.268CS..Hα-helixtrans-63.5-46.6176.4-70168.1000110.6F18 L23 Y33 T96 F97 H98 Y102 L103 K104F18-I100 HydrophobicContact CD2-CD1 4.3Å; F18-I100 HydrophobicContact CE1-CD1 4.32Å; F18-I100 HydrophobicContact CE1-CG2 3.63Å; F18-I100 HydrophobicContact CE2-CD1 3.72Å; F18-I100 HydrophobicContact CZ-CB 4.17Å; F18-I100 HydrophobicContact CZ-CD1 3.73Å; F18-I100 HydrophobicContact CZ-CG2 3.55Å; L23-I100 HydrophobicContact CD1-CD1 4.07Å; L23-I100 HydrophobicContact CD2-CD1 3.94Å; Y33-I100 HydrophobicContact CD1-CB 4.4Å; Y33-I100 HydrophobicContact CD1-CG1 3.85Å; Y33-I100 HydrophobicContact CD1-CG2 4.23Å; Y33-I100 HydrophobicContact CD2-CD1 4.13Å; Y33-I100 HydrophobicContact CD2-CG1 4.1Å; Y33-I100 HydrophobicContact CD2-CG2 4.35Å; Y33-I100 HydrophobicContact CE1-CB 4.23Å; Y33-I100 HydrophobicContact CE1-CG1 4.16Å; Y33-I100 HydrophobicContact CE1-CG2 3.65Å; Y33-I100 HydrophobicContact CE2-CG1 4.44Å; Y33-I100 HydrophobicContact CE2-CG2 3.85Å; Y33-I100 HydrophobicContact CG-CD1 4.26Å; Y33-I100 HydrophobicContact CG-CG1 3.84Å; Y33-I100 VanDerWaalsContact CZ-CG2 3.5Å; T96-I100 HydrophobicContact CG2-CD1 4.1Å; T96-I100 WeakPolarHBondContact O-CG1 3.43Å; T96-I100 PolarHBondContact O-N 3.02Å; F97-I100 PolarHBondContact O-N 3.34Å; H98-I100 VanDerWaalsContact C-N 3.33Å; I100-Y102 VanDerWaalsContact C-N 3.34Å; I100-Y102 PolarHBondContact O-N 3.3Å; I100-L103 WeakPolarHBondContact O-CB 3.28Å; I100-L103 PolarHBondContact O-N 3.39Å; I100-K104 HydrophobicContact CG2-CD 4.23Å; I100-K104 HydrophobicContact CG2-CG 4.47Å; I100-K104 WeakPolarHBondContact O-CG 3.08Å; I100-K104 PolarHBondContact O-N 2.95Å
101E95.4Very high94Very high73 Ų7351.6 Ų51.634%0.34127%0.265SS..Hα-helixtrans-62.1-44.6179-16461.8-159.700111.2F97 H98 L103 K104 E105F97-E101 PolarHBondContact O-N 3.1Å; H98-E101 PolarHBondContact O-N 3.49Å; E101-L103 VanDerWaalsContact C-N 3.29Å; E101-L103 PolarHBondContact O-N 2.92Å; E101-K104 WeakPolarHBondContact O-CB 3.27Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 VanDerWaalsContact O-N 3.1Å; E101-E105 WeakPolarHBondContact O-CG 3.42Å; E101-E105 PolarHBondContact O-N 3.29Å
102Y96.2Very high93.8Very high55 Ų5554.2 Ų54.222%0.21627%0.273CS..Hα-helixtrans-57.6-41.7174.9-174.6-94.9000112.2E82 L83 V86 H98 L99 I100 N106 F110E82-Y102 HydrophobicContact CB-CE1 4.2Å; E82-Y102 PolarHBondContact OE2-OH 3.36Å; E82-Y102 VanDerWaalsContact OE2-OH 3.1Å; L83-Y102 HydrophobicContact CD2-CD1 3.84Å; L83-Y102 HydrophobicContact CD2-CE1 4.47Å; V86-Y102 HydrophobicContact CG2-CD1 4.21Å; V86-Y102 HydrophobicContact CG2-CD2 3.8Å; V86-Y102 HydrophobicContact CG2-CE1 4.24Å; V86-Y102 HydrophobicContact CG2-CE2 3.82Å; V86-Y102 HydrophobicContact CG2-CG 3.99Å; H98-Y102 WeakPolarHBondContact O-CB 3.44Å; H98-Y102 PolarHBondContact O-N 2.93Å; L99-Y102 PolarHBondContact O-N 3.06Å; I100-Y102 VanDerWaalsContact C-N 3.34Å; I100-Y102 PolarHBondContact O-N 3.3Å; Y102-N106 WeakPolarHBondContact CE2-ND2 3.17Å; Y102-N106 WeakPolarHBondContact O-CB 3.44Å; Y102-N106 PolarHBondContact O-N 3.47Å; Y102-N106 VanDerWaalsContact O-N 3.09Å; Y102-N106 PolarHBondContact O-ND2 3.1Å; Y102-F110 HydrophobicContact CE1-CZ 4.16Å
103L95.9Very high93.7Very high4 Ų453.9 Ų53.92%0.02126%0.264CS..Hα-helixtrans-64.1-42.5175.4-77.3169.7000112.3Y33 V35 F44 V46 I79 L83 L99 I100 E101 H107 F110Y33-L103 HydrophobicContact CD1-CD1 3.89Å; Y33-L103 HydrophobicContact CE1-CB 4.35Å; Y33-L103 HydrophobicContact CE1-CD1 4.34Å; V35-L103 HydrophobicContact CG1-CB 4.43Å; V35-L103 HydrophobicContact CG2-CB 4.12Å; V35-L103 HydrophobicContact CG2-CD1 4.02Å; V35-L103 HydrophobicContact CG2-CD2 4.43Å; V35-L103 HydrophobicContact CG2-CG 4.43Å; F44-L103 HydrophobicContact CE2-CD2 3.9Å; F44-L103 HydrophobicContact CZ-CD2 4.01Å; V46-L103 HydrophobicContact CB-CD1 4.07Å; V46-L103 HydrophobicContact CG1-CD1 4.36Å; V46-L103 HydrophobicContact CG2-CD1 3.73Å; V46-L103 HydrophobicContact CG2-CD2 4.21Å; I79-L103 HydrophobicContact CG2-CD2 4.27Å; L83-L103 HydrophobicContact CD1-CD1 4.38Å; L83-L103 HydrophobicContact CD1-CD2 4.08Å; L83-L103 HydrophobicContact CD1-CG 4.45Å; L83-L103 HydrophobicContact CD2-CD1 4.29Å; L83-L103 HydrophobicContact CD2-CD2 3.92Å; L83-L103 HydrophobicContact CD2-CG 3.79Å; L83-L103 HydrophobicContact CG-CD2 4.41Å; L99-L103 WeakPolarHBondContact O-CB 3.35Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 2.98Å; I100-L103 WeakPolarHBondContact O-CB 3.28Å; I100-L103 PolarHBondContact O-N 3.39Å; E101-L103 VanDerWaalsContact C-N 3.29Å; E101-L103 PolarHBondContact O-N 2.92Å; L103-H107 WeakPolarHBondContact O-CA 3.28Å; L103-H107 WeakPolarHBondContact O-CB 3.45Å; L103-H107 PolarHBondContact O-N 3.42Å; L103-F110 HydrophobicContact CD2-CE2 4.12Å
104K94.4Very high93.5Very high85 Ų8552 Ų5237%0.3725%0.249SC..Hα-helixtrans-62.8-49.2177.8-73.6179.8175.3-171.80111.1Y33 I100 E101 N106 H107Y33-K104 WeakPolarHBondContact OH-CE 3.36Å; I100-K104 HydrophobicContact CG2-CD 4.23Å; I100-K104 HydrophobicContact CG2-CG 4.47Å; I100-K104 WeakPolarHBondContact O-CG 3.08Å; I100-K104 PolarHBondContact O-N 2.95Å; E101-K104 WeakPolarHBondContact O-CB 3.27Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 VanDerWaalsContact O-N 3.1Å; K104-N106 VanDerWaalsContact C-N 3.31Å; K104-N106 PolarHBondContact O-N 2.75Å; K104-H107 WeakPolarHBondContact O-CB 3.15Å; K104-H107 PolarHBondContact O-N 3.41Å
105E95.3Very high92.4Very high140 Ų14052.8 Ų52.865%0.65426%0.256SS*.Hα-helixtrans-63.2-35.9-179.6-70-177.9166.500112.7E101E101-E105 WeakPolarHBondContact O-CG 3.42Å; E101-E105 PolarHBondContact O-N 3.29Å
106N94.9Very high90.8Very high32 Ų3257.7 Ų57.717%0.17129%0.286CS..Hα-helixtrans-98.52.8-176.9-67.5-83.5000113.8Y102 K104 E108 R109 F110Y102-N106 WeakPolarHBondContact CE2-ND2 3.17Å; Y102-N106 WeakPolarHBondContact O-CB 3.44Å; Y102-N106 PolarHBondContact O-N 3.47Å; Y102-N106 VanDerWaalsContact O-N 3.09Å; Y102-N106 PolarHBondContact O-ND2 3.1Å; K104-N106 VanDerWaalsContact C-N 3.31Å; K104-N106 PolarHBondContact O-N 2.75Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.4Å; N106-R109 WeakPolarHBondContact O-CB 3.23Å; N106-R109 PolarHBondContact O-N 2.94Å; N106-F110 HydrophobicContact CB-CD2 4.02Å; N106-F110 HydrophobicContact CB-CE1 4.44Å; N106-F110 HydrophobicContact CB-CE2 3.41Å; N106-F110 VanDerWaalsContact CB-CE2 3.41Å; N106-F110 HydrophobicContact CB-CZ 3.66Å; N106-F110 VanDerWaalsContact O-CD2 3.29Å; N106-F110 WeakPolarHBondContact O-CD2 3.42Å; N106-F110 PolarHBondContact O-N 2.81Å
107H92.6Very high89Confident34 Ų3460.8 Ų60.816%0.15730%0.302CS..Hα-helixtrans-53.2-47.5-173.9176.7-131.5000112.4V35 G36 S42 F44 L103 K104 R109 F110 A111V35-H107 HydrophobicContact CG1-CB 4.06Å; V35-H107 VanDerWaalsContact CG1-CD2 3.48Å; V35-H107 WeakPolarHBondContact CG1-CD2 3.17Å; G36-H107 WeakPolarHBondContact CA-CE1 3.05Å; S42-H107 PolarHBondContact O-NE2 2.87Å; F44-H107 AromaticContact CE1-CD2 3.69Å; L103-H107 WeakPolarHBondContact O-CA 3.28Å; L103-H107 WeakPolarHBondContact O-CB 3.45Å; L103-H107 PolarHBondContact O-N 3.42Å; K104-H107 WeakPolarHBondContact O-CB 3.15Å; K104-H107 PolarHBondContact O-N 3.41Å; H107-R109 VanDerWaalsContact C-N 3.31Å; H107-R109 PolarHBondContact O-N 2.95Å; H107-F110 PolarHBondContact O-N 3.12Å; H107-A111 WeakPolarHBondContact O-CB 3.42Å; H107-A111 PolarHBondContact O-N 3.37Å
108E91.7Very high86.9Confident133 Ų13363.4 Ų63.462%0.62131%0.314SS*.Hα-helixtrans-63.4-35.7179-68.4-164.4-179.300113.3N106 A111 K112N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 3.4Å; E108-A111 PolarHBondContact O-N 2.85Å; E108-K112 WeakPolarHBondContact O-CB 3.33Å; E108-K112 WeakPolarHBondContact O-CD 3.49Å; E108-K112 WeakPolarHBondContact O-CG 3.42Å; E108-K112 PolarHBondContact O-N 3.22Å; E108-K112 IonicContact OE2-NZ 3.3Å; E108-K112 PolarHBondContact OE2-NZ 3.4Å
109R93.5Very high84.8Confident105 Ų10565.5 Ų65.540%0.39633%0.332SS..Hα-helixtrans-66.6-42.2178.8175.6177.4168.5-116.8-10.8110.1E82 N106 H107 S113E82-R109 IonicContact OE1-CZ 3.41Å; E82-R109 IonicContact OE1-NH1 3.22Å; E82-R109 PolarHBondContact OE1-NH1 2.87Å; E82-R109 IonicContact OE1-NH2 3.2Å; E82-R109 PolarHBondContact OE1-NH2 2.87Å; E82-R109 IonicContact OE2-CZ 2.75Å; E82-R109 IonicContact OE2-NH1 2.81Å; E82-R109 PolarHBondContact OE2-NH1 2.83Å; E82-R109 IonicContact OE2-NH2 3.52Å; N106-R109 WeakPolarHBondContact O-CB 3.23Å; N106-R109 PolarHBondContact O-N 2.94Å; H107-R109 VanDerWaalsContact C-N 3.31Å; H107-R109 PolarHBondContact O-N 2.95Å; R109-S113 PolarHBondContact O-N 3.08Å; R109-S113 PolarHBondContact O-OG 3.13Å; R109-S113 VanDerWaalsContact O-OG 3.09Å
110F92.4Very high82.6Confident4 Ų472.4 Ų72.42%0.01837%0.368CS..Hα-helixtrans-66.8-47.2174.2-58.5-39.6000111.6F44 I79 E82 Y102 L103 N106 H107 K112 S113 F114F44-F110 HydrophobicContact CE1-CB 4.17Å; F44-F110 HydrophobicContact CZ-CB 4.42Å; F44-F110 HydrophobicContact CZ-CD2 4.04Å; I79-F110 HydrophobicContact CD1-CB 3.91Å; I79-F110 HydrophobicContact CD1-CD1 4.03Å; I79-F110 HydrophobicContact CD1-CD2 4.45Å; I79-F110 HydrophobicContact CD1-CG 3.88Å; I79-F110 HydrophobicContact CG1-CB 4.39Å; I79-F110 HydrophobicContact CG1-CD1 3.53Å; I79-F110 HydrophobicContact CG1-CD2 4.35Å; I79-F110 HydrophobicContact CG1-CE1 3.8Å; I79-F110 HydrophobicContact CG1-CG 3.84Å; I79-F110 HydrophobicContact CG1-CZ 4.3Å; I79-F110 HydrophobicContact CG2-CE2 4.46Å; E82-F110 WeakPolarHBondContact OE2-CE1 3.36Å; Y102-F110 HydrophobicContact CE1-CZ 4.16Å; L103-F110 HydrophobicContact CD2-CE2 4.12Å; N106-F110 HydrophobicContact CB-CD2 4.02Å; N106-F110 HydrophobicContact CB-CE1 4.44Å; N106-F110 HydrophobicContact CB-CE2 3.41Å; N106-F110 VanDerWaalsContact CB-CE2 3.41Å; N106-F110 HydrophobicContact CB-CZ 3.66Å; N106-F110 VanDerWaalsContact O-CD2 3.29Å; N106-F110 WeakPolarHBondContact O-CD2 3.42Å; N106-F110 PolarHBondContact O-N 2.81Å; H107-F110 PolarHBondContact O-N 3.12Å; F110-K112 VanDerWaalsContact C-N 3.29Å; F110-K112 PolarHBondContact O-N 2.97Å; F110-S113 WeakPolarHBondContact O-CA 3.48Å; F110-S113 VanDerWaalsContact O-CB 3.3Å; F110-S113 WeakPolarHBondContact O-CB 3.42Å; F110-S113 PolarHBondContact O-N 2.91Å; F110-F114 HydrophobicContact CB-CE1 4.28Å; F110-F114 HydrophobicContact CB-CZ 4.17Å; F110-F114 WeakPolarHBondContact O-CD1 3.36Å; F110-F114 VanDerWaalsContact O-CE1 3.23Å; F110-F114 WeakPolarHBondContact O-CE1 3.41Å; F110-F114 PolarHBondContact O-N 2.93Å
111A90.2Very high80.3Confident23 Ų2381.1 Ų81.119%0.1941%0.406CS..Hα-helixtrans-56.3-40.7178.500000113.1H107 E108 S113 F114H107-A111 WeakPolarHBondContact O-CB 3.42Å; H107-A111 PolarHBondContact O-N 3.37Å; E108-A111 PolarHBondContact O-N 2.85Å; A111-S113 VanDerWaalsContact C-N 3.26Å; A111-S113 PolarHBondContact O-N 3.44Å; A111-F114 HydrophobicContact CB-CE2 4.49Å; A111-F114 WeakPolarHBondContact O-CB 3.33Å; A111-F114 PolarHBondContact O-N 3.2Å
112K89.7Confident77.9Confident135 Ų13582.9 Ų82.959%0.58743%0.427SS*.Hα-helixtrans-61.3-34.5175.1-74.5163.1-170.3158.90112.1E108 F110 F114E108-K112 WeakPolarHBondContact O-CB 3.33Å; E108-K112 WeakPolarHBondContact O-CD 3.49Å; E108-K112 WeakPolarHBondContact O-CG 3.42Å; E108-K112 PolarHBondContact O-N 3.22Å; E108-K112 IonicContact OE2-NZ 3.3Å; E108-K112 PolarHBondContact OE2-NZ 3.4Å; F110-K112 VanDerWaalsContact C-N 3.29Å; F110-K112 PolarHBondContact O-N 2.97Å; K112-F114 VanDerWaalsContact C-N 3.31Å; K112-F114 PolarHBondContact O-N 2.76Å
113S88.5Confident75.4Confident37 Ų3789 Ų8926%0.25946%0.457SS..Hα-helixtrans-71.6-23.6-179.3-55.30000112.9R109 F110 A111 A115R109-S113 PolarHBondContact O-N 3.08Å; R109-S113 PolarHBondContact O-OG 3.13Å; R109-S113 VanDerWaalsContact O-OG 3.09Å; F110-S113 WeakPolarHBondContact O-CA 3.48Å; F110-S113 VanDerWaalsContact O-CB 3.3Å; F110-S113 WeakPolarHBondContact O-CB 3.42Å; F110-S113 PolarHBondContact O-N 2.91Å; A111-S113 VanDerWaalsContact C-N 3.26Å; A111-S113 PolarHBondContact O-N 3.44Å; S113-A115 VanDerWaalsContact C-N 3.29Å; S113-A115 PolarHBondContact O-N 3.47Å
114F86.4Confident72.7Confident10 Ų1093.6 Ų93.64%0.04449%0.49CS..Hα-helixtrans-67.5-27.3-179-55.1-18.2000113.6F44 I71 V75 I79 F110 A111 K112F44-F114 AromaticContact CD1-CE2 3.78Å; F44-F114 HydrophobicContact CD1-CE2 3.78Å; F44-F114 AromaticContact CD1-CZ 3.51Å; F44-F114 HydrophobicContact CD1-CZ 3.51Å; F44-F114 HydrophobicContact CE1-CE2 4.29Å; F44-F114 AromaticContact CE1-CZ 3.77Å; F44-F114 HydrophobicContact CE1-CZ 3.77Å; F44-F114 HydrophobicContact CG-CZ 4.31Å; I71-F114 HydrophobicContact CD1-CE1 4.23Å; I71-F114 HydrophobicContact CD1-CE2 4.3Å; I71-F114 HydrophobicContact CD1-CZ 3.94Å; I71-F114 HydrophobicContact CG1-CD1 4.33Å; I71-F114 HydrophobicContact CG1-CD2 4.46Å; I71-F114 HydrophobicContact CG1-CE1 4.2Å; I71-F114 HydrophobicContact CG1-CE2 4.32Å; I71-F114 HydrophobicContact CG1-CG 4.49Å; I71-F114 HydrophobicContact CG1-CZ 4.2Å; I71-F114 HydrophobicContact CG2-CD1 3.75Å; I71-F114 HydrophobicContact CG2-CE1 3.66Å; I71-F114 HydrophobicContact CG2-CZ 4.42Å; V75-F114 HydrophobicContact CG1-CD1 3.76Å; V75-F114 HydrophobicContact CG1-CE1 3.65Å; I79-F114 HydrophobicContact CD1-CE1 4.04Å; I79-F114 HydrophobicContact CD1-CZ 4.42Å; F110-F114 HydrophobicContact CB-CE1 4.28Å; F110-F114 HydrophobicContact CB-CZ 4.17Å; F110-F114 WeakPolarHBondContact O-CD1 3.36Å; F110-F114 VanDerWaalsContact O-CE1 3.23Å; F110-F114 WeakPolarHBondContact O-CE1 3.41Å; F110-F114 PolarHBondContact O-N 2.93Å; A111-F114 HydrophobicContact CB-CE2 4.49Å; A111-F114 WeakPolarHBondContact O-CB 3.33Å; A111-F114 PolarHBondContact O-N 3.2Å; K112-F114 VanDerWaalsContact C-N 3.31Å; K112-F114 PolarHBondContact O-N 2.76Å
115A72Confident70.3Confident66 Ų6698.4 Ų98.455%0.54551%0.513SS..Hα-helixtrans-85.8-27.8-176.800000113.4S113 D117 K118S113-A115 VanDerWaalsContact C-N 3.29Å; S113-A115 PolarHBondContact O-N 3.47Å; A115-D117 PolarHBondContact O-N 3.34Å; A115-K118 PolarHBondContact O-N 3.37Å
116V61.2Low67.7Low104 Ų10496.2 Ų96.263%0.6351%0.514SS*.Hα-helixtrans-68.1-36.3-169.3179.80000111.9K118V116-K118 PolarHBondContact O-N 2.92Å
117D55.8Low65.2Low67 Ų67104.2 Ų104.236%0.35855%0.547SS..G310 helixtrans-83.3-8.6-176-75.3-22.7000114.7P72 A115 V119P72-D117 HydrophobicContact CB-CB 4.22Å; P72-D117 HydrophobicContact CG-CB 3.73Å; A115-D117 PolarHBondContact O-N 3.34Å; D117-V119 PolarHBondContact O-N 3.37Å
118K51.7Low62.7Low138 Ų138107.6 Ų107.660%0.657%0.574SS**G310 helixtrans-71.7-13.8177.9-73.2-173.1-179.6176.80113.1A115 V116A115-K118 PolarHBondContact O-N 3.37Å; V116-K118 PolarHBondContact O-N 2.92Å
119V51.3Low60.1Low122 Ų122105.5 Ų105.574%0.73957%0.574SS**G310 helixtrans-83.8-22.1-175.3-172.70000112.7D117D117-V119 PolarHBondContact O-N 3.37Å
120D49Very low57.7Low149 Ų149108.2 Ų108.280%0.79759%0.592SS**SBendtrans-104.2-4.2-169.1-102.9-25.7000116.7
121K48.7Very low55.2Low187 Ų187113.7 Ų113.781%0.81363%0.626SS**THydrogen-bonded Turntrans-100.819.2-172.5-125.1173.9-175.1174.90116.6
122S44.4Very low52.9Low111 Ų111117.2 Ų117.278%0.77665%0.649SS**THydrogen-bonded Turntrans-96.83.6175.8-57.40000114.7
123Q43Very low50.5Low182 Ų182115.9 Ų115.985%0.8566%0.657SS**  trans-140.182178.8-67.8-172.617.900111.8
124S39.5Very low48.2Very low102 Ų102120.3 Ų120.371%0.71368%0.682SS**  trans-16769.1159.3290000110.9
125H45.2Very low46.1Very low185 Ų185124.9 Ų124.986%0.85672%0.715SS**  trans-118.3105.7150.2-102-61.9000108.7
126S39.5Very low44.6Very low95 Ų95133.1 Ų133.166%0.66473%0.732SS**  trans85.7114.2137.4-39.30000119.2
127F42.9Very low43.6Very low200 Ų200137.2 Ų137.288%0.87774%0.741SS**  trans92.392.5141-99.4-97.3000120.8
128S40.3Very low43.3Very low104 Ų104141.9 Ų141.973%0.72776%0.761SS**  63.3124.1118.2-126.30000122.7
129S37.9Very low42.6Very low89 Ų89143 Ų14362%0.62277%0.774SS**  trans87.7107.5138.1-134.90000120.2
130E42.9Very low42.6Very low162 Ų162146.6 Ų146.676%0.75778%0.779SS**  88.3119.5127.3-84.2171.5154.700121.6
131T40.1Very low43.2Very low119 Ų119147.3 Ų147.373%0.7378%0.782SS**  trans94.896.613759.90000119.7
132S40.8Very low43.8Very low98 Ų98144 Ų14469%0.68578%0.78SS**  55.6105.1123.2390000120.8
133S39.6Very low45Very low106 Ų106147.7 Ų147.774%0.74179%0.785SS**  90.1126.4109.981.70000120.6
134V41.1Very low46.3Very low131 Ų131142.7 Ų142.779%0.79476%0.763SS**  trans81.8128147.5-151.80000119.3
135S42.1Very low48.1Very low105 Ų105140.6 Ų140.673%0.73475%0.749SS**  trans102.492.9149.164.80000119.9
136R38.9Very low49.7Very low239 Ų239140.5 Ų140.590%0.90275%0.746SS**  trans21117.9132.1-54.8178.3-146.9168.57.2117.1
137K41.7Very low51.5Low190 Ų190139.4 Ų139.483%0.82674%0.738SS**  166.9127.9118.5-90.4163.3-176.9-178.70112
138Q49.1Very low53.3Low165 Ų165134.4 Ų134.477%0.77172%0.718SS**  trans62.2101.5140-65.3177.8-3800119.1K140Q138-K140 PolarHBondContact O-N 3.22Å
139D36.3Very low55.2Low163 Ų163135.1 Ų135.187%0.87271%0.707SS**  trans2591131.4-61.5-47.4000117.5
140K52.7Low56.9Low197 Ų197139.7 Ų139.786%0.85771%0.711SS**  trans-137123.1144.9-69-173.5-178.8179.90107.2Q138Q138-K140 PolarHBondContact O-N 3.22Å
141L60.8Low58.5Low163 Ų163139.7 Ų139.785%0.85371%0.709SS**  trans-41.7132.1168.9-74.1159000109Q143L141-Q143 PolarHBondContact O-N 2.94Å
142P61.2Low59.9Low117 Ų117139.9 Ų139.976%0.7670%0.701SS**  trans-59.2114.3-174.823.2-32.3000109L144P142-L144 PolarHBondContact O-N 3.33Å
143Q70.2Confident61Low189 Ų189141.5 Ų141.588%0.88370%0.701SS**  trans-62.7108.1170.7-90.5-155-16.100108L141 S145L141-Q143 PolarHBondContact O-N 2.94Å; Q143-S145 PolarHBondContact O-N 3.47Å
144L69.2Low62.3Low77 Ų77142.6 Ų142.640%0.40370%0.699SS.*  trans-51.9126.4170.1-74.3164.4000109.5P142 Q148 K149P142-L144 PolarHBondContact O-N 3.33Å; L144-Q148 HydrophobicContact CB-CB 4.3Å; L144-Q148 HydrophobicContact CD2-CB 4.03Å; L144-Q148 HydrophobicContact CD2-CG 3.7Å; L144-Q148 VanDerWaalsContact CD2-OE1 3.23Å; L144-K149 HydrophobicContact CB-CG 4.02Å
145S77Confident63.4Low58 Ų58143.4 Ų143.441%0.40669%0.688SS.*  trans-53.7150.9173.5154.40000110.7Q143 S147 Q148 K149Q143-S145 PolarHBondContact O-N 3.47Å; S145-S147 PolarHBondContact O-N 2.93Å; S145-S147 VanDerWaalsContact O-N 3.14Å; S145-S147 PolarHBondContact OG-N 3.19Å; S145-S147 VanDerWaalsContact OG-N 3.12Å; S145-S147 PolarHBondContact OG-OG 3.03Å; S145-S147 VanDerWaalsContact OG-OG 3.06Å; S145-Q148 WeakPolarHBondContact O-CA 3.39Å; S145-Q148 WeakPolarHBondContact O-CB 3.44Å; S145-Q148 PolarHBondContact O-N 3.07Å; S145-K149 PolarHBondContact O-N 3Å
146K80.4Confident64.3Low183 Ų183142.4 Ų142.480%0.79667%0.674SS**Hα-helixtrans-52.3-34.5173-74.2-177.5178.5175.30112.1R150K146-R150 PolarHBondContact O-N 3.37Å; K146-R150 VanDerWaalsContact O-N 3.14Å
147S77.3Confident65.6Low72 Ų72133.1 Ų133.150%0.50365%0.652SS.*Hα-helixtrans-71-36176.472.80000112.2S145 R150 K151S145-S147 PolarHBondContact O-N 2.93Å; S145-S147 VanDerWaalsContact O-N 3.14Å; S145-S147 PolarHBondContact OG-N 3.19Å; S145-S147 VanDerWaalsContact OG-N 3.12Å; S145-S147 PolarHBondContact OG-OG 3.03Å; S145-S147 VanDerWaalsContact OG-OG 3.06Å; S147-R150 PolarHBondContact O-N 3.48Å; S147-K151 PolarHBondContact O-N 2.85Å
148Q80.6Confident66.7Low96 Ų96133.9 Ų133.945%0.44966%0.659SS.*Hα-helixtrans-69.2-39.4178-136.4169.83.600111.1L144 S145 K151 H152L144-Q148 HydrophobicContact CB-CB 4.3Å; L144-Q148 HydrophobicContact CD2-CB 4.03Å; L144-Q148 HydrophobicContact CD2-CG 3.7Å; L144-Q148 VanDerWaalsContact CD2-OE1 3.23Å; S145-Q148 WeakPolarHBondContact O-CA 3.39Å; S145-Q148 WeakPolarHBondContact O-CB 3.44Å; S145-Q148 PolarHBondContact O-N 3.07Å; Q148-K151 PolarHBondContact O-N 3.09Å; Q148-H152 PolarHBondContact O-N 2.91Å
149K78.9Confident67.6Low118 Ų118133 Ų13351%0.51366%0.659SS.*Hα-helixtrans-62.2-40.2171.4-68.3-174.8180-175.80112.3L144 S145 H152 L153L144-K149 HydrophobicContact CB-CG 4.02Å; S145-K149 PolarHBondContact O-N 3Å; K149-H152 PolarHBondContact O-N 3.38Å; K149-L153 PolarHBondContact O-N 3Å
150R73.8Confident69.1Low185 Ų185127.3 Ų127.370%0.69864%0.64SS**Hα-helixtrans-62.2-47.1175-78.8-178.9177.3172.4-2.3112.2K146 S147 H152 L153 D154K146-R150 PolarHBondContact O-N 3.37Å; K146-R150 VanDerWaalsContact O-N 3.14Å; S147-R150 PolarHBondContact O-N 3.48Å; R150-H152 PolarHBondContact O-N 2.89Å; R150-L153 WeakPolarHBondContact O-CB 3.16Å; R150-L153 PolarHBondContact O-N 2.93Å; R150-D154 PolarHBondContact O-N 3.37Å; R150-D154 VanDerWaalsContact O-N 3.14Å
151K76.5Confident69.8Low163 Ų163125.1 Ų125.171%0.70963%0.632SS**Hα-helixtrans-58.3-32.2177.3-72.7-175.8176.5-173.40113.5S147 Q148 L153S147-K151 PolarHBondContact O-N 2.85Å; Q148-K151 PolarHBondContact O-N 3.09Å; K151-L153 VanDerWaalsContact C-N 3.34Å
152H68.8Low70.4Confident122 Ų122121 Ų12157%0.56561%0.611SS**Hα-helixtrans-70.3-29.2174.8-96.4-79.9000113.4Q148 K149 R150Q148-H152 PolarHBondContact O-N 2.91Å; K149-H152 PolarHBondContact O-N 3.38Å; R150-H152 PolarHBondContact O-N 2.89Å
153L65.5Low71Confident132 Ų132119.4 Ų119.469%0.69160%0.6SS**Hα-helixtrans-78.3-31.8177-74163.2000112.2K149 R150 K151 R155 L156K149-L153 PolarHBondContact O-N 3Å; R150-L153 WeakPolarHBondContact O-CB 3.16Å; R150-L153 PolarHBondContact O-N 2.93Å; K151-L153 VanDerWaalsContact C-N 3.34Å; L153-R155 PolarHBondContact O-N 2.99Å; L153-L156 PolarHBondContact O-N 3.21Å
154D66Low71Confident130 Ų130122.9 Ų122.970%0.69561%0.605SS**THydrogen-bonded Turntrans-703.3177.3-65.2-29000113.9R150 L156R150-D154 PolarHBondContact O-N 3.37Å; R150-D154 VanDerWaalsContact O-N 3.14Å; D154-L156 PolarHBondContact O-N 3.36Å
155R64.2Low71.3Confident148 Ų148121.2 Ų121.256%0.55861%0.607SS**THydrogen-bonded Turntrans-76.3-13176.2-155.5177.9175-171.11.3112.7L153L153-R155 PolarHBondContact O-N 2.99Å
156L62Low71.3Confident84 Ų84124.5 Ų124.544%0.4461%0.61SS.*SBendtrans-92.2135.7173-84.860.4000108.5L153 D154 G160 L162L153-L156 PolarHBondContact O-N 3.21Å; D154-L156 PolarHBondContact O-N 3.36Å; L156-G160 WeakPolarHBondContact CD2-O 3.4Å; L156-G160 WeakPolarHBondContact CG-O 3.5Å; L156-L162 HydrophobicContact CD1-CD2 4.44Å
157G64.4Low71.1Confident44 Ų44121.5 Ų121.545%0.45460%0.603SS.*  trans-62.6177.4175.200000112.3D159 G160 E161G157-D159 PolarHBondContact O-N 3.25Å; G157-G160 PolarHBondContact O-N 3.43Å; G157-E161 PolarHBondContact N-O 3.17Å; G157-E161 VanDerWaalsContact N-O 3.11Å
158Q65.4Low71.3Confident205 Ų205128.2 Ų128.296%0.95862%0.617SS**THydrogen-bonded Turntrans-56.4-20.7179.8-158171.2-2100113.1
159D67.8Low70.8Confident147 Ų147128.5 Ų128.579%0.78663%0.625SS**THydrogen-bonded Turntrans-94.33178.2-55.2-36.4000114.1G157 E161G157-D159 PolarHBondContact O-N 3.25Å; D159-E161 PolarHBondContact O-N 3.46Å
160G68.3Low70.8Confident44 Ų44125.3 Ų125.345%0.45462%0.618SS.*SBendtrans74.14.3-177.800000114.5L156 G157L156-G160 WeakPolarHBondContact CD2-O 3.4Å; L156-G160 WeakPolarHBondContact CG-O 3.5Å; G157-G160 PolarHBondContact O-N 3.43Å
161E68.3Low71Confident151 Ų151121.5 Ų121.571%0.70662%0.615SS**PPolyproline II helixtrans-98.6145.5178.3-62.4-16916700111.5G157 D159G157-E161 PolarHBondContact N-O 3.17Å; G157-E161 VanDerWaalsContact N-O 3.11Å; D159-E161 PolarHBondContact O-N 3.46Å
162L73.3Confident71Confident77 Ų77119.2 Ų119.240%0.40361%0.609SS.*PPolyproline II helixtrans-65.6139.7167.5-71.5149.8000108L156 R164 W166L156-L162 HydrophobicContact CD1-CD2 4.44Å; L162-R164 PolarHBondContact O-N 3.25Å; L162-W166 HydrophobicContact CB-CB 4.15Å; L162-W166 HydrophobicContact CB-CD2 4.49Å; L162-W166 HydrophobicContact CB-CG 4.32Å; L162-W166 HydrophobicContact CD1-CD2 4.3Å; L162-W166 HydrophobicContact CD1-CE3 3.78Å; L162-W166 HydrophobicContact CD1-CZ3 3.99Å; L162-W166 HydrophobicContact CD2-CD2 3.75Å; L162-W166 HydrophobicContact CD2-CE3 4.09Å; L162-W166 HydrophobicContact CD2-CG 4.01Å; L162-W166 HydrophobicContact CD2-CZ2 4.39Å; L162-W166 HydrophobicContact CG-CD2 4.41Å; L162-W166 HydrophobicContact CG-CE3 4.36Å
163P72.2Confident71.2Confident83 Ų83119.7 Ų119.754%0.53961%0.61SS.*PPolyproline II helixtrans-55.8138-179.121.8-31.7000110.5G165 W166P163-G165 PolarHBondContact O-N 3.04Å; P163-W166 HydrophobicContact CG-CB 4.4Å; P163-W166 VanDerWaalsContact O-CB 3.3Å; P163-W166 WeakPolarHBondContact O-CB 3.47Å; P163-W166 PolarHBondContact O-N 3.24Å
164R72Confident71.8Confident261 Ų261118.4 Ų118.499%0.98560%0.6SS**THydrogen-bonded Turntrans-53.6125.9178.4-149.9177.6-169.2-114.12.9108.9L162L162-R164 PolarHBondContact O-N 3.25Å
165G73.9Confident72.4Confident42 Ų42117.3 Ų117.343%0.43359%0.594SS.*THydrogen-bonded Turntrans93.22.4-174.100000115.4P163 N167 W168P163-G165 PolarHBondContact O-N 3.04Å; G165-N167 PolarHBondContact O-N 2.64Å; G165-N167 VanDerWaalsContact O-N 3.11Å; G165-W168 VanDerWaalsContact O-CD1 3.31Å; G165-W168 PolarHBondContact O-N 3.02Å
166W77.5Confident73.1Confident128 Ų128117.1 Ų117.149%0.48560%0.599SS.*THydrogen-bonded Turntrans-56.3-27.8173.5-177.874.6000113.3L162 P163L162-W166 HydrophobicContact CB-CB 4.15Å; L162-W166 HydrophobicContact CB-CD2 4.49Å; L162-W166 HydrophobicContact CB-CG 4.32Å; L162-W166 HydrophobicContact CD1-CD2 4.3Å; L162-W166 HydrophobicContact CD1-CE3 3.78Å; L162-W166 HydrophobicContact CD1-CZ3 3.99Å; L162-W166 HydrophobicContact CD2-CD2 3.75Å; L162-W166 HydrophobicContact CD2-CE3 4.09Å; L162-W166 HydrophobicContact CD2-CG 4.01Å; L162-W166 HydrophobicContact CD2-CZ2 4.39Å; L162-W166 HydrophobicContact CG-CD2 4.41Å; L162-W166 HydrophobicContact CG-CE3 4.36Å; P163-W166 HydrophobicContact CG-CB 4.4Å; P163-W166 VanDerWaalsContact O-CB 3.3Å; P163-W166 WeakPolarHBondContact O-CB 3.47Å; P163-W166 PolarHBondContact O-N 3.24Å
167N76.6Confident73.7Confident120 Ų120120 Ų12064%0.64261%0.611SS**THydrogen-bonded Turntrans-116.732.6-178.170.8-23.1000113.1G165 V169G165-N167 PolarHBondContact O-N 2.64Å; G165-N167 VanDerWaalsContact O-N 3.11Å; N167-V169 WeakPolarHBondContact O-CG2 3.44Å; N167-V169 PolarHBondContact O-N 3.19Å
168W80.3Confident74Confident212 Ų212121.9 Ų121.980%0.80361%0.613SS**PPolyproline II helixtrans-54.2120.1177.768.8-77.3000110.4G165G165-W168 VanDerWaalsContact O-CD1 3.31Å; G165-W168 PolarHBondContact O-N 3.02Å
169V71.8Confident74Confident102 Ų102115.2 Ų115.262%0.61860%0.6SS**PPolyproline II helixtrans-98.1130.5176.6178.10000107.2N167 V171 H174N167-V169 WeakPolarHBondContact O-CG2 3.44Å; N167-V169 PolarHBondContact O-N 3.19Å; V169-V171 PolarHBondContact O-N 3.11Å; V169-H174 HydrophobicContact CG1-CB 4.21Å
170S77.6Confident73.8Confident51 Ų51113.9 Ų113.936%0.35760%0.602SS.*PPolyproline II helixtrans-64.4116.3169.6171.80000109.3I172 K173 H174S170-I172 PolarHBondContact O-N 3.18Å; S170-K173 PolarHBondContact O-N 3.41Å; S170-K173 PolarHBondContact OG-N 3.48Å; S170-H174 PolarHBondContact O-N 3.06Å
171V77.7Confident73.2Confident105 Ų105115.8 Ų115.864%0.63661%0.613SS**Hα-helixtrans-57-35.9178.6178.70000110.9V169 H174 L175V169-V171 PolarHBondContact O-N 3.11Å; V171-H174 PolarHBondContact O-N 3.14Å; V171-L175 HydrophobicContact CG1-CD1 3.82Å; V171-L175 HydrophobicContact CG1-CG 4.46Å; V171-L175 WeakPolarHBondContact O-CB 3.41Å; V171-L175 WeakPolarHBondContact O-CG 3.4Å; V171-L175 PolarHBondContact O-N 3Å
172I76.7Confident72.1Confident115 Ų115118 Ų11859%0.5965%0.646SS**Hα-helixtrans-63.6-46.2176.6-59.1175000110.5S170 H174 L175 Q176S170-I172 PolarHBondContact O-N 3.18Å; I172-H174 VanDerWaalsContact C-N 3.3Å; I172-H174 PolarHBondContact O-N 3.13Å; I172-L175 PolarHBondContact O-N 3.24Å; I172-Q176 WeakPolarHBondContact O-CB 3.1Å; I172-Q176 WeakPolarHBondContact O-CG 3.36Å; I172-Q176 PolarHBondContact O-N 3.37Å
173K73.5Confident72Confident132 Ų132120.1 Ų120.157%0.57466%0.658SS**Hα-helixtrans-64-36.3177.9-170.8177.2-179.5176.40111.9S170 Q177S170-K173 PolarHBondContact O-N 3.41Å; S170-K173 PolarHBondContact OG-N 3.48Å; K173-Q177 PolarHBondContact O-N 2.85Å
174H77.5Confident72Confident105 Ų105122.1 Ų122.149%0.48666%0.664SS.*Hα-helixtrans-67.3-45.9176.4-171.464.1000111.9V169 S170 V171 I172 Q176 Q177 T178V169-H174 HydrophobicContact CG1-CB 4.21Å; S170-H174 PolarHBondContact O-N 3.06Å; V171-H174 PolarHBondContact O-N 3.14Å; I172-H174 VanDerWaalsContact C-N 3.3Å; I172-H174 PolarHBondContact O-N 3.13Å; H174-Q176 PolarHBondContact O-N 3.19Å; H174-Q177 PolarHBondContact O-N 3.42Å; H174-T178 PolarHBondContact O-N 3.15Å; H174-T178 PolarHBondContact O-OG1 3.43Å
175L78.3Confident72Confident108 Ų108114.3 Ų114.357%0.56565%0.646SS**Hα-helixtrans-65.1-37.7177.6-75.6163.1000112.6V171 I172 Q177 T178 G179V171-L175 HydrophobicContact CG1-CD1 3.82Å; V171-L175 HydrophobicContact CG1-CG 4.46Å; V171-L175 WeakPolarHBondContact O-CB 3.41Å; V171-L175 WeakPolarHBondContact O-CG 3.4Å; V171-L175 PolarHBondContact O-N 3Å; I172-L175 PolarHBondContact O-N 3.24Å; L175-Q177 VanDerWaalsContact C-N 3.27Å; L175-Q177 PolarHBondContact O-N 3.14Å; L175-T178 WeakPolarHBondContact CA-OG1 3.2Å; L175-T178 PolarHBondContact O-N 2.8Å; L175-T178 PolarHBondContact O-OG1 3.3Å; L175-T178 VanDerWaalsContact O-OG1 3.14Å; L175-G179 PolarHBondContact O-N 3.16Å
176Q79.6Confident71.9Confident144 Ų144118.6 Ų118.667%0.67366%0.659SS**Hα-helixtrans-61.8-32.8173.9-77.2177.7-13.600112.6I172 H174I172-Q176 WeakPolarHBondContact O-CB 3.1Å; I172-Q176 WeakPolarHBondContact O-CG 3.36Å; I172-Q176 PolarHBondContact O-N 3.37Å; H174-Q176 PolarHBondContact O-N 3.19Å
177Q75.1Confident71.6Confident145 Ų145118 Ų11868%0.67867%0.67SS**Hα-helixtrans-76.4-25.4176.7-80.2-177.7-3300113.4K173 H174 L175K173-Q177 PolarHBondContact O-N 2.85Å; H174-Q177 PolarHBondContact O-N 3.42Å; L175-Q177 VanDerWaalsContact C-N 3.27Å; L175-Q177 PolarHBondContact O-N 3.14Å
178T71.4Confident71.3Confident82 Ų82117.9 Ų117.950%0.50367%0.672SS.*Hα-helixtrans-94.6-3.5-177.553.20000114.2H174 L175 S180H174-T178 PolarHBondContact O-N 3.15Å; H174-T178 PolarHBondContact O-OG1 3.43Å; L175-T178 WeakPolarHBondContact CA-OG1 3.2Å; L175-T178 PolarHBondContact O-N 2.8Å; L175-T178 PolarHBondContact O-OG1 3.3Å; L175-T178 VanDerWaalsContact O-OG1 3.14Å; T178-S180 PolarHBondContact O-N 3.34Å
179G64.8Low70.6Confident66 Ų66111.1 Ų111.168%0.6866%0.662SS**THydrogen-bonded Turntrans-78.3-5.8-17500000116.7L175L175-G179 PolarHBondContact O-N 3.16Å
180S63.2Low70.5Confident118 Ų118111.8 Ų111.883%0.82567%0.666SS**THydrogen-bonded Turntrans-101.516.2-172.3-40.20000114.9T178T178-S180 PolarHBondContact O-N 3.34Å
181A55.5Low69.9Low84 Ų84116.9 Ų116.969%0.69469%0.691SS**  trans-132.572.2-17500000112
182S45.9Very low69.2Low199 Ų199118 Ų118100%1.39270%0.696SS**  trans-167.30149.7-78.70000109.9

Retrieved 182 of 182 residues in 68.7 ms (Link to these results)

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