A0A077ZKC2_TRITR Loading...

DUF208 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M87.5Confident92.6Very high105 Ų105105.3 Ų105.352%0.51750%0.495SS..  0-75.80-71.3174.25600110.2Q3 S4 W5 Y127 L159M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.84Å; M1-S4 WeakPolarHBondContact O-CA 3.42Å; M1-S4 WeakPolarHBondContact O-CB 3.35Å; M1-S4 PolarHBondContact O-N 3.33Å; M1-W5 HydrophobicContact CB-CZ2 4.17Å; M1-W5 HydrophobicContact CE-CH2 3.9Å; M1-W5 HydrophobicContact CE-CZ2 3.56Å; M1-W5 PolarHBondContact O-N 3.47Å; M1-W5 VanDerWaalsContact O-N 3.16Å; M1-Y127 HydrophobicContact CE-CD1 4.17Å; M1-Y127 HydrophobicContact CE-CE1 3.77Å; M1-L159 HydrophobicContact CE-CD1 3.24Å; M1-L159 HydrophobicContact SD-CD1 4.45Å
2I89.9Confident93Very high43 Ų4396.8 Ų96.822%0.22146%0.456CS..Hα-helixtrans-50.7-48.2-178.4-66.4172.3000113.2S4 W5 E6 F30 H34I2-S4 PolarHBondContact O-N 2.96Å; I2-S4 VanDerWaalsContact O-N 3.14Å; I2-W5 HydrophobicContact CB-CE3 4.46Å; I2-W5 HydrophobicContact CG1-CE3 3.95Å; I2-W5 HydrophobicContact CG1-CZ3 3.89Å; I2-W5 WeakPolarHBondContact O-CB 3.2Å; I2-W5 PolarHBondContact O-N 2.85Å; I2-W5 VanDerWaalsContact O-N 3.08Å; I2-E6 HydrophobicContact CG2-CG 4.16Å; I2-E6 WeakPolarHBondContact O-CG 3.46Å; I2-E6 PolarHBondContact O-N 3.47Å; I2-F30 HydrophobicContact CD1-CE1 3.81Å; I2-F30 HydrophobicContact CD1-CZ 3.52Å; I2-H34 HydrophobicContact CG2-CB 4.15Å; I2-H34 WeakPolarHBondContact CG2-ND1 3.42Å
3Q90.1Very high93.4Very high162 Ų16297.8 Ų97.876%0.75745%0.453SS*.Hα-helixtrans-57.2-30.8177.3-69.6176.1-16.700114.3M1 K7M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.84Å; Q3-K7 WeakPolarHBondContact O-CB 3.45Å; Q3-K7 PolarHBondContact O-N 3.39Å; Q3-K7 VanDerWaalsContact O-N 3.11Å
4S93.1Very high93.7Very high48 Ų4890.9 Ų90.934%0.33642%0.42SS..Hα-helixtrans-76.3-44.1176.1145.20000110.3M1 I2 E6 K7 E8M1-S4 WeakPolarHBondContact O-CA 3.42Å; M1-S4 WeakPolarHBondContact O-CB 3.35Å; M1-S4 PolarHBondContact O-N 3.33Å; I2-S4 PolarHBondContact O-N 2.96Å; I2-S4 VanDerWaalsContact O-N 3.14Å; S4-E6 VanDerWaalsContact C-N 3.32Å; S4-E6 PolarHBondContact O-N 3.49Å; S4-K7 PolarHBondContact O-N 3.24Å; S4-E8 VanDerWaalsContact O-CB 3.31Å; S4-E8 WeakPolarHBondContact O-CB 3.49Å; S4-E8 VanDerWaalsContact O-CG 3.32Å; S4-E8 WeakPolarHBondContact O-CG 3.32Å; S4-E8 PolarHBondContact O-N 3.38Å; S4-E8 PolarHBondContact OG-OE1 2.9Å
5W94.7Very high94Very high16 Ų1684.8 Ų84.86%0.06139%0.392CS..Hα-helixtrans-56.7-45.4174.1-55.3-22.8000112M1 I2 E8 K9 V10 P12 I14 Y127 L159M1-W5 HydrophobicContact CB-CZ2 4.17Å; M1-W5 HydrophobicContact CE-CH2 3.9Å; M1-W5 HydrophobicContact CE-CZ2 3.56Å; M1-W5 PolarHBondContact O-N 3.47Å; M1-W5 VanDerWaalsContact O-N 3.16Å; I2-W5 HydrophobicContact CB-CE3 4.46Å; I2-W5 HydrophobicContact CG1-CE3 3.95Å; I2-W5 HydrophobicContact CG1-CZ3 3.89Å; I2-W5 WeakPolarHBondContact O-CB 3.2Å; I2-W5 PolarHBondContact O-N 2.85Å; I2-W5 VanDerWaalsContact O-N 3.08Å; W5-E8 CarbonylContact O-C 3.59Å; W5-E8 PolarHBondContact O-N 3.07Å; W5-K9 WeakPolarHBondContact O-CA 3.39Å; W5-K9 PolarHBondContact O-N 3.47Å; W5-V10 PolarHBondContact O-N 3.25Å; W5-P12 HydrophobicContact CD2-CG 3.64Å; W5-P12 HydrophobicContact CE3-CG 3.76Å; W5-P12 HydrophobicContact CG-CG 4.18Å; W5-P12 HydrophobicContact CH2-CG 4Å; W5-P12 HydrophobicContact CZ2-CG 3.89Å; W5-P12 HydrophobicContact CZ3-CG 3.94Å; W5-I14 HydrophobicContact CH2-CD1 3.73Å; W5-I14 HydrophobicContact CZ3-CD1 3.92Å; W5-Y127 AromaticContact CE2-CE2 3.96Å; W5-Y127 HydrophobicContact CH2-CD2 4.46Å; W5-Y127 HydrophobicContact CH2-CE2 4.37Å; W5-Y127 AromaticContact CZ2-CD2 3.93Å; W5-Y127 HydrophobicContact CZ2-CD2 3.93Å; W5-Y127 HydrophobicContact CZ2-CE1 4.39Å; W5-Y127 AromaticContact CZ2-CE2 3.44Å; W5-Y127 HydrophobicContact CZ2-CE2 3.44Å; W5-Y127 VanDerWaalsContact CZ2-CE2 3.44Å; W5-Y127 AromaticContact CZ2-CZ 3.71Å; W5-L159 HydrophobicContact CH2-CD1 4.02Å
6E91.6Very high94.3Very high103 Ų10379.5 Ų79.548%0.48137%0.368SS..Hα-helixtrans-64.7-44.4177.5-70.1175.6159.600112.3I2 S4 E8 K9 H34I2-E6 HydrophobicContact CG2-CG 4.16Å; I2-E6 WeakPolarHBondContact O-CG 3.46Å; I2-E6 PolarHBondContact O-N 3.47Å; S4-E6 VanDerWaalsContact C-N 3.32Å; S4-E6 PolarHBondContact O-N 3.49Å; E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.17Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-H34 IonicContact OE1-CE1 2.66Å; E6-H34 PolarHBondContact OE1-CE1 2.72Å; E6-H34 IonicContact OE1-ND1 3.04Å; E6-H34 PolarHBondContact OE1-ND1 2.97Å
7K93.6Very high94.6Very high183 Ų18374.8 Ų74.880%0.79635%0.346SS*.Hα-helixtrans-63.2-40.2177.8-178.3-178.1176.5-174.20111.8Q3 S4 K9Q3-K7 WeakPolarHBondContact O-CB 3.45Å; Q3-K7 PolarHBondContact O-N 3.39Å; Q3-K7 VanDerWaalsContact O-N 3.11Å; S4-K7 PolarHBondContact O-N 3.24Å; K7-K9 VanDerWaalsContact C-N 3.28Å
8E94.3Very high94.7Very high124 Ų12470.7 Ų70.758%0.57933%0.327SS*.Hα-helixtrans-83-7.3-179.4-67.5163.4-139.900112.4S4 W5 E6 V10S4-E8 VanDerWaalsContact O-CB 3.31Å; S4-E8 WeakPolarHBondContact O-CB 3.49Å; S4-E8 VanDerWaalsContact O-CG 3.32Å; S4-E8 WeakPolarHBondContact O-CG 3.32Å; S4-E8 PolarHBondContact O-N 3.38Å; S4-E8 PolarHBondContact OG-OE1 2.9Å; W5-E8 CarbonylContact O-C 3.59Å; W5-E8 PolarHBondContact O-N 3.07Å; E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.17Å; E8-V10 HydrophobicContact CB-CG2 4.11Å; E8-V10 PolarHBondContact O-N 2.88Å
9K92.2Very high94.7Very high192 Ų19267.2 Ų67.284%0.83531%0.312SS*.THydrogen-bonded Turntrans53.935.9-174.8-56.8-176.2-175.9-176.70112.8W5 E6 K7W5-K9 WeakPolarHBondContact O-CA 3.39Å; W5-K9 PolarHBondContact O-N 3.47Å; E6-K9 PolarHBondContact O-N 3.4Å; K7-K9 VanDerWaalsContact C-N 3.28Å
10V95.4Very high94.8Very high77 Ų7763.9 Ų63.947%0.46730%0.296SS..  trans-103.1136176.2176.60000108.7W5 E8W5-V10 PolarHBondContact O-N 3.25Å; E8-V10 HydrophobicContact CB-CG2 4.11Å; E8-V10 PolarHBondContact O-N 2.88Å
11R96.3Very high94.8Very high105 Ų10560.9 Ų60.940%0.39628%0.283SS..  trans-106.7101.1169.3-67.1-179.86383.9-2.4107.8T32 Q33 A35 D36R11-T32 PolarHBondContact NH1-O 3.37Å; R11-T32 PolarHBondContact NH2-O 3.11Å; R11-Q33 PolarHBondContact NH1-O 3.26Å; R11-A35 VanDerWaalsContact NH2-C 3.32Å; R11-A35 PolarHBondContact NH2-O 2.65Å; R11-D36 IonicContact CZ-OD1 3.41Å; R11-D36 IonicContact NE-OD1 2.83Å; R11-D36 PolarHBondContact NE-OD1 3.39Å; R11-D36 IonicContact NH2-OD1 3.08Å; R11-D36 PolarHBondContact NH2-OD1 2.87Å; R11-D36 VanDerWaalsContact NH2-OD1 3.08Å
12P97.3Very high95.2Very high4 Ų456.3 Ų56.33%0.02626%0.26CS..  trans-67.8152.317929.7-35.8000110.3W5 I14 A35 D36 D126 Y127W5-P12 HydrophobicContact CD2-CG 3.64Å; W5-P12 HydrophobicContact CE3-CG 3.76Å; W5-P12 HydrophobicContact CG-CG 4.18Å; W5-P12 HydrophobicContact CH2-CG 4Å; W5-P12 HydrophobicContact CZ2-CG 3.89Å; W5-P12 HydrophobicContact CZ3-CG 3.94Å; P12-I14 HydrophobicContact CB-CG1 4.43Å; P12-I14 HydrophobicContact CG-CD1 4.16Å; P12-I14 HydrophobicContact CG-CG1 4.24Å; P12-A35 HydrophobicContact CG-CB 3.97Å; P12-A35 WeakPolarHBondContact O-CB 3.37Å; P12-D36 PolarHBondContact O-N 3.13Å; P12-D126 WeakPolarHBondContact CA-OD2 3.5Å; P12-D126 HydrophobicContact CB-CB 4.01Å; P12-Y127 HydrophobicContact CB-CD2 3.98Å; P12-Y127 HydrophobicContact CB-CE2 3.94Å; P12-Y127 HydrophobicContact CG-CD2 4.44Å; P12-Y127 HydrophobicContact CG-CE2 4.37Å
13R98Very high95.4Very high110 Ų11054.9 Ų54.942%0.41525%0.254SS..EExtended strand (participates in β ladder)trans-84120.1170.6-63.4178.567.4-142.71.1108.9D36 R123 G124 F125 D126 Y127R13-D36 WeakPolarHBondContact CA-O 3.22Å; R13-R123 PolarHBondContact NH1-O 3Å; R13-G124 PolarHBondContact NH1-O 2.64Å; R13-F125 HydrophobicContact CB-CD1 3.83Å; R13-F125 HydrophobicContact CB-CE1 4.36Å; R13-D126 PolarHBondContact N-OD2 2.98Å; R13-D126 PolarHBondContact O-N 3.47Å; R13-Y127 PolarHBondContact O-N 3.41Å
14I98Very high95.7Very high0 Ų047.1 Ų47.10%022%0.218CC..EExtended strand (participates in β ladder)trans-121.2124.6-175.4-52.4-176.7000110.4W5 P12 I16 A35 D36 T38 Y127 L159W5-I14 HydrophobicContact CH2-CD1 3.73Å; W5-I14 HydrophobicContact CZ3-CD1 3.92Å; P12-I14 HydrophobicContact CB-CG1 4.43Å; P12-I14 HydrophobicContact CG-CD1 4.16Å; P12-I14 HydrophobicContact CG-CG1 4.24Å; I14-I16 HydrophobicContact CG2-CD1 3.63Å; I14-I16 HydrophobicContact CG2-CG1 3.95Å; I14-A35 HydrophobicContact CD1-CB 3.33Å; I14-A35 HydrophobicContact CG1-CB 3.85Å; I14-D36 PolarHBondContact N-O 3.27Å; I14-T38 PolarHBondContact O-N 2.87Å; I14-Y127 WeakPolarHBondContact CA-O 3.44Å; I14-Y127 HydrophobicContact CG1-CD2 4.35Å; I14-L159 HydrophobicContact CD1-CD2 4.08Å; I14-L159 HydrophobicContact CG2-CD2 3.85Å
15L98.5Very high95.9Very high0 Ų044.9 Ų44.90%020%0.202CC..EExtended strand (participates in β ladder)trans-93.6116.5171-166.569.1000110.3T38 F40 I77 E119 A120 F125 Y127 F128 G129L15-T38 WeakPolarHBondContact CA-O 3.36Å; L15-T38 HydrophobicContact CD1-CG2 3.69Å; L15-F40 HydrophobicContact CD1-CB 3.85Å; L15-F40 HydrophobicContact CD2-CB 4.08Å; L15-F40 HydrophobicContact CD2-CG 4.39Å; L15-F40 HydrophobicContact CG-CB 3.85Å; L15-I77 HydrophobicContact CD1-CD1 4.12Å; L15-E119 HydrophobicContact CD2-CB 3.79Å; L15-E119 HydrophobicContact CD2-CG 3.9Å; L15-A120 HydrophobicContact CB-CB 4.22Å; L15-A120 HydrophobicContact CD2-CB 3.94Å; L15-F125 HydrophobicContact CB-CB 4.32Å; L15-F125 HydrophobicContact CB-CD1 3.9Å; L15-F125 HydrophobicContact CB-CD2 4.15Å; L15-F125 HydrophobicContact CB-CE1 4.22Å; L15-F125 HydrophobicContact CB-CE2 4.44Å; L15-F125 HydrophobicContact CB-CG 3.87Å; L15-F125 HydrophobicContact CB-CZ 4.48Å; L15-F125 HydrophobicContact CD1-CD2 4.46Å; L15-F125 HydrophobicContact CD1-CE1 4.19Å; L15-F125 HydrophobicContact CD1-CE2 3.94Å; L15-F125 HydrophobicContact CD1-CZ 3.81Å; L15-F125 HydrophobicContact CD2-CD2 4.49Å; L15-Y127 PolarHBondContact N-O 3.43Å; L15-F128 CarbonylContact O-C 3.54Å; L15-F128 VanDerWaalsContact O-CA 3.25Å; L15-F128 WeakPolarHBondContact O-CA 3.4Å; L15-G129 PolarHBondContact O-N 3.14Å
16I98.5Very high96Very high0 Ų045.6 Ų45.60%021%0.205CC..EExtended strand (participates in β ladder)trans-107.8114.2179.3-63.1-62.9000110I14 S18 T27 L31 V37 T38 I39 F40 A131 L159I14-I16 HydrophobicContact CG2-CD1 3.63Å; I14-I16 HydrophobicContact CG2-CG1 3.95Å; I16-S18 PolarHBondContact O-N 3.23Å; I16-T27 HydrophobicContact CG2-CG2 4.04Å; I16-L31 HydrophobicContact CD1-CD1 3.66Å; I16-L31 HydrophobicContact CG1-CD1 3.72Å; I16-V37 HydrophobicContact CB-CG1 4.48Å; I16-V37 HydrophobicContact CG1-CG1 3.94Å; I16-T38 PolarHBondContact N-O 3.07Å; I16-I39 HydrophobicContact CB-CD1 4.06Å; I16-I39 HydrophobicContact CG2-CD1 4.12Å; I16-I39 WeakPolarHBondContact O-CA 3.32Å; I16-F40 PolarHBondContact O-N 3.25Å; I16-A131 HydrophobicContact CG2-CB 3.77Å; I16-L159 HydrophobicContact CD1-CD2 4.13Å
17H98.4Very high96.2Very high0 Ų040.7 Ų40.70%018%0.182CC..EExtended strand (participates in β ladder)trans-61.6129.2168.7157.6-80.4000110.6F40 S42 R112 A116 G129 S130 A131H17-F40 CarbonylContact C-O 3.57Å; H17-F40 WeakPolarHBondContact CA-O 3.48Å; H17-S42 PolarHBondContact NE2-O 3.28Å; H17-R112 WeakPolarHBondContact NE2-CD 3.39Å; H17-A116 HydrophobicContact CB-CB 3.98Å; H17-G129 WeakPolarHBondContact CB-O 3.39Å; H17-G129 PolarHBondContact N-O 3.03Å; H17-S130 PolarHBondContact ND1-OG 3.36Å; H17-A131 WeakPolarHBondContact O-CB 3.47Å; H17-A131 PolarHBondContact O-N 2.95Å
18S97.5Very high96.4Very high0 Ų032 Ų320%014%0.144CC..EExtended strand (participates in β ladder)trans-132.5152.8170.8-175.60000110.5I16 C20 F40 F41 S42 Q59I16-S18 PolarHBondContact O-N 3.23Å; S18-C20 PolarHBondContact OG-N 3.39Å; S18-C20 PolarHBondContact OG-O 2.94Å; S18-F40 PolarHBondContact N-O 3.1Å; S18-F41 WeakPolarHBondContact O-CA 3.32Å; S18-S42 PolarHBondContact O-N 3.08Å; S18-S42 VanDerWaalsContact O-N 3.1Å; S18-Q59 PolarHBondContact OG-OE1 2.88Å
19C95.2Very high96.6Very high5 Ų528.4 Ų28.43%0.03413%0.128CC..SBendtrans-123.13.1173.567.50000114F41 N43C19-F41 VanDerWaalsContact C-CE2 3.43Å; C19-N43 HydrophobicContact CB-CB 3.59Å; C19-N43 WeakPolarHBondContact CB-ND2 3.38Å
20C95.9Very high96.8Very high1 Ų122 Ų221%0.00710%0.1CC..SBendtrans-176.7149179.355.30000109.6S18 P22 C23 Q59 Q184S18-C20 PolarHBondContact OG-N 3.39Å; S18-C20 PolarHBondContact OG-O 2.94Å; C20-P22 VanDerWaalsContact C-CD 3.46Å; C20-C23 WeakPolarHBondContact O-CB 3.38Å; C20-C23 PolarHBondContact O-N 2.87Å; C20-C23 PolarHBondContact SG-SG 3.43Å; C20-Q59 PolarHBondContact O-OE1 3.22Å; C20-Q184 PolarHBondContact SG-NE2 2.84Å
21A95.2Very high96.8Very high1 Ų118.6 Ų18.61%0.0088%0.079CC..Hα-helixtrans-52.9-40.7179.100000115.4C23 S24 T25 V58 F62 V181A21-C23 PolarHBondContact O-N 2.95Å; A21-S24 PolarHBondContact O-N 3.24Å; A21-S24 PolarHBondContact O-OG 2.93Å; A21-T25 PolarHBondContact O-N 3.47Å; A21-T25 VanDerWaalsContact O-N 3.16Å; A21-V58 HydrophobicContact CB-CG1 3.77Å; A21-F62 HydrophobicContact CB-CB 3.92Å; A21-F62 HydrophobicContact CB-CD1 4.18Å; A21-F62 HydrophobicContact CB-CG 4.22Å; A21-V181 HydrophobicContact CB-CG1 3.45Å; A21-V181 VanDerWaalsContact CB-CG1 3.45Å
22P96.3Very high96.9Very high8 Ų813.9 Ų13.95%0.0526%0.062CC..Hα-helixtrans-55.5-31.3177.5-28.736.6000113.9C20 T25 S172 V181 Y182 R183C20-P22 VanDerWaalsContact C-CD 3.46Å; P22-T25 PolarHBondContact O-OG1 2.81Å; P22-S172 PolarHBondContact O-OG 2.99Å; P22-V181 HydrophobicContact CG-CG1 3.83Å; P22-Y182 WeakPolarHBondContact CG-O 3.34Å; P22-R183 HydrophobicContact CB-CG 4.43Å; P22-R183 HydrophobicContact CG-CG 3.9Å
23C93.7Very high96.8Very high13 Ų1319.7 Ų19.79%0.0889%0.089CC..Hα-helixtrans-69.6-39.1178.4-74.70000112C20 A21 T27 A131 I134C20-C23 WeakPolarHBondContact O-CB 3.38Å; C20-C23 PolarHBondContact O-N 2.87Å; C20-C23 PolarHBondContact SG-SG 3.43Å; A21-C23 PolarHBondContact O-N 2.95Å; C23-T27 PolarHBondContact O-OG1 2.83Å; C23-A131 HydrophobicContact CB-CB 3.88Å; C23-A131 WeakPolarHBondContact O-CB 3.31Å; C23-I134 HydrophobicContact CB-CG2 4.28Å
24S95.9Very high96.7Very high0 Ų015.9 Ų15.90%08%0.075CC..Hα-helixtrans-81.1-18.4-176.248.60000113.5A21 T27 L28 Q59A21-S24 PolarHBondContact O-N 3.24Å; A21-S24 PolarHBondContact O-OG 2.93Å; S24-T27 WeakPolarHBondContact O-CB 3.34Å; S24-T27 PolarHBondContact O-N 2.83Å; S24-L28 WeakPolarHBondContact O-CB 3.45Å; S24-L28 VanDerWaalsContact O-CG 3.3Å; S24-L28 WeakPolarHBondContact O-CG 3.4Å; S24-L28 PolarHBondContact O-N 3.15Å; S24-Q59 VanDerWaalsContact OG-CD 3.3Å; S24-Q59 PolarHBondContact OG-NE2 3.14Å; S24-Q59 PolarHBondContact OG-OE1 3.44Å
25T97.2Very high96.7Very high0 Ų015.9 Ų15.90%08%0.075CC..Hα-helixtrans-41-88.4-179.651.50000116A21 P22 T27 L28 E29 F62 S172 M175A21-T25 PolarHBondContact O-N 3.47Å; A21-T25 VanDerWaalsContact O-N 3.16Å; P22-T25 PolarHBondContact O-OG1 2.81Å; T25-T27 PolarHBondContact O-N 3.26Å; T25-L28 PolarHBondContact O-N 2.87Å; T25-L28 VanDerWaalsContact O-N 3.13Å; T25-E29 PolarHBondContact O-N 3Å; T25-E29 VanDerWaalsContact O-N 3.16Å; T25-F62 HydrophobicContact CG2-CE1 4.17Å; T25-F62 HydrophobicContact CG2-CE2 4.08Å; T25-F62 HydrophobicContact CG2-CZ 3.87Å; T25-S172 WeakPolarHBondContact OG1-CA 3.42Å; T25-S172 WeakPolarHBondContact OG1-CB 3.32Å; T25-S172 PolarHBondContact OG1-OG 3.31Å; T25-M175 VanDerWaalsContact C-SD 3.54Å; T25-M175 HydrophobicContact CG2-CB 4.07Å
26Y96.9Very high96.6Very high31 Ų3119.4 Ų19.412%0.12210%0.095CC..Hα-helixtrans-61.8-28.3-179.2168.7-105000112L28 E29 F30 I134 F163 G168 R171Y26-L28 VanDerWaalsContact C-N 3.32Å; Y26-L28 PolarHBondContact O-N 3.28Å; Y26-E29 PolarHBondContact O-N 3.31Å; Y26-F30 HydrophobicContact CE1-CB 4.47Å; Y26-F30 HydrophobicContact CE2-CB 4.3Å; Y26-F30 VanDerWaalsContact O-CB 3.32Å; Y26-F30 WeakPolarHBondContact O-CB 3.45Å; Y26-F30 PolarHBondContact O-N 3.08Å; Y26-I134 HydrophobicContact CD1-CD1 4.27Å; Y26-F163 HydrophobicContact CD1-CB 4.39Å; Y26-F163 WeakPolarHBondContact CD1-O 3.4Å; Y26-F163 WeakPolarHBondContact CE1-O 3.33Å; Y26-G168 WeakPolarHBondContact CB-O 3.23Å; Y26-R171 HydrophobicContact CD2-CB 3.89Å; Y26-R171 HydrophobicContact CD2-CG 3.69Å; Y26-R171 HydrophobicContact CE2-CG 4.46Å; Y26-R171 HydrophobicContact CG-CB 4.32Å; Y26-R171 HydrophobicContact CG-CG 4.4Å
27T96.7Very high96.6Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-57.3-45.4175.5-54.80000111.4I16 C23 S24 T25 L31 A131 F163I16-T27 HydrophobicContact CG2-CG2 4.04Å; C23-T27 PolarHBondContact O-OG1 2.83Å; S24-T27 WeakPolarHBondContact O-CB 3.34Å; S24-T27 PolarHBondContact O-N 2.83Å; T25-T27 PolarHBondContact O-N 3.26Å; T27-L31 HydrophobicContact CG2-CD1 3.77Å; T27-L31 HydrophobicContact CG2-CG 4.46Å; T27-L31 VanDerWaalsContact O-CB 3.27Å; T27-L31 WeakPolarHBondContact O-CB 3.35Å; T27-L31 VanDerWaalsContact O-CG 3.3Å; T27-L31 WeakPolarHBondContact O-CG 3.46Å; T27-L31 PolarHBondContact O-N 3.47Å; T27-A131 HydrophobicContact CG2-CB 4.3Å; T27-F163 HydrophobicContact CG2-CD1 4.44Å; T27-F163 HydrophobicContact CG2-CD2 3.93Å; T27-F163 HydrophobicContact CG2-CE1 4.11Å; T27-F163 HydrophobicContact CG2-CE2 3.58Å; T27-F163 HydrophobicContact CG2-CG 4.38Å; T27-F163 HydrophobicContact CG2-CZ 3.69Å
28L97.7Very high96.6Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-69.9-48.3175.7-72.2-176.9000111.3S24 T25 Y26 F30 L31 T32 V37 I39 F62 I63 F66 V74S24-L28 WeakPolarHBondContact O-CB 3.45Å; S24-L28 VanDerWaalsContact O-CG 3.3Å; S24-L28 WeakPolarHBondContact O-CG 3.4Å; S24-L28 PolarHBondContact O-N 3.15Å; T25-L28 PolarHBondContact O-N 2.87Å; T25-L28 VanDerWaalsContact O-N 3.13Å; Y26-L28 VanDerWaalsContact C-N 3.32Å; Y26-L28 PolarHBondContact O-N 3.28Å; L28-F30 PolarHBondContact O-N 2.82Å; L28-F30 VanDerWaalsContact O-N 3.15Å; L28-L31 PolarHBondContact O-N 2.92Å; L28-T32 WeakPolarHBondContact O-CG2 3.43Å; L28-T32 PolarHBondContact O-N 2.85Å; L28-T32 PolarHBondContact O-OG1 2.96Å; L28-V37 HydrophobicContact CD2-CB 4.16Å; L28-V37 HydrophobicContact CD2-CG1 3.59Å; L28-I39 HydrophobicContact CD1-CD1 4.42Å; L28-I39 HydrophobicContact CD1-CG1 4.22Å; L28-I39 HydrophobicContact CD2-CD1 3.7Å; L28-I39 HydrophobicContact CD2-CG1 4.01Å; L28-I39 HydrophobicContact CG-CD1 4.15Å; L28-I39 HydrophobicContact CG-CG1 4.45Å; L28-F62 HydrophobicContact CD1-CE1 3.81Å; L28-F62 HydrophobicContact CD1-CZ 4.46Å; L28-I63 HydrophobicContact CD1-CG1 4.23Å; L28-F66 HydrophobicContact CB-CE1 4.06Å; L28-F66 HydrophobicContact CB-CE2 4.41Å; L28-F66 HydrophobicContact CB-CZ 4Å; L28-F66 HydrophobicContact CD1-CD1 4.43Å; L28-V74 HydrophobicContact CD1-CG1 3.96Å; L28-V74 HydrophobicContact CD1-CG2 4.34Å; L28-V74 HydrophobicContact CD2-CG1 3.76Å; L28-V74 HydrophobicContact CD2-CG2 3.97Å
29E96.9Very high96.7Very high50 Ų5020.1 Ų20.123%0.23410%0.099CC..Hα-helixtrans-52.2-40.1178.1-175-179.2-115.700112.1T25 Y26 Q33 F66 R171 M175T25-E29 PolarHBondContact O-N 3Å; T25-E29 VanDerWaalsContact O-N 3.16Å; Y26-E29 PolarHBondContact O-N 3.31Å; E29-Q33 PolarHBondContact O-NE2 3.24Å; E29-F66 HydrophobicContact CB-CE2 4.29Å; E29-R171 IonicContact OE1-CZ 2.77Å; E29-R171 IonicContact OE1-NE 3.74Å; E29-R171 PolarHBondContact OE1-NE 2.99Å; E29-R171 VanDerWaalsContact OE1-NE 3.07Å; E29-R171 IonicContact OE1-NH2 3.94Å; E29-R171 PolarHBondContact OE1-NH2 3.34Å; E29-R171 WeakPolarHBondContact OE2-CG 3.42Å; E29-R171 IonicContact OE2-NE 3.54Å; E29-R171 PolarHBondContact OE2-NE 3.43Å; E29-M175 HydrophobicContact CB-CE 4.03Å; E29-M175 HydrophobicContact CB-SD 4.03Å
30F96.5Very high96.9Very high58 Ų5820 Ų2025%0.25410%0.097SC..Hα-helixtrans-78-52.8177.8177-106.9000112.9I2 Y26 L28 T32 Q33 H34 F163I2-F30 HydrophobicContact CD1-CE1 3.81Å; I2-F30 HydrophobicContact CD1-CZ 3.52Å; Y26-F30 HydrophobicContact CE1-CB 4.47Å; Y26-F30 HydrophobicContact CE2-CB 4.3Å; Y26-F30 VanDerWaalsContact O-CB 3.32Å; Y26-F30 WeakPolarHBondContact O-CB 3.45Å; Y26-F30 PolarHBondContact O-N 3.08Å; L28-F30 PolarHBondContact O-N 2.82Å; L28-F30 VanDerWaalsContact O-N 3.15Å; F30-T32 PolarHBondContact O-N 2.91Å; F30-Q33 WeakPolarHBondContact O-CB 3.43Å; F30-Q33 PolarHBondContact O-N 2.82Å; F30-H34 PolarHBondContact O-CD2 2.9Å; F30-F163 HydrophobicContact CD1-CE1 4.16Å
31L96.7Very high97Very high4 Ų419.9 Ų19.92%0.02110%0.097CC..Hα-helixtrans-71.5-33.4-169.9-72.3177.8000113.4I16 T27 L28 Q33 H34 A35 V37 L159 F163I16-L31 HydrophobicContact CD1-CD1 3.66Å; I16-L31 HydrophobicContact CG1-CD1 3.72Å; T27-L31 HydrophobicContact CG2-CD1 3.77Å; T27-L31 HydrophobicContact CG2-CG 4.46Å; T27-L31 VanDerWaalsContact O-CB 3.27Å; T27-L31 WeakPolarHBondContact O-CB 3.35Å; T27-L31 VanDerWaalsContact O-CG 3.3Å; T27-L31 WeakPolarHBondContact O-CG 3.46Å; T27-L31 PolarHBondContact O-N 3.47Å; L28-L31 PolarHBondContact O-N 2.92Å; L31-Q33 PolarHBondContact O-N 2.76Å; L31-Q33 VanDerWaalsContact O-N 3.17Å; L31-H34 PolarHBondContact O-N 3.41Å; L31-A35 PolarHBondContact O-N 2.86Å; L31-V37 HydrophobicContact CB-CG2 3.68Å; L31-L159 HydrophobicContact CD1-CD2 4.36Å; L31-L159 HydrophobicContact CD2-CD2 4.16Å; L31-F163 HydrophobicContact CD1-CE1 4.33Å; L31-F163 HydrophobicContact CD1-CZ 3.92Å; L31-F163 HydrophobicContact CD2-CE1 4.33Å; L31-F163 HydrophobicContact CD2-CZ 4.47Å; L31-F163 HydrophobicContact CG-CE1 4.22Å; L31-F163 HydrophobicContact CG-CZ 4.3Å
32T97.3Very high97Very high7 Ų719.9 Ų19.94%0.04310%0.097CC..THydrogen-bonded Turntrans-66.7-18.8-177.959.50000112.8R11 L28 F30 H34 V37 F66 N72 V74R11-T32 PolarHBondContact NH1-O 3.37Å; R11-T32 PolarHBondContact NH2-O 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.43Å; L28-T32 PolarHBondContact O-N 2.85Å; L28-T32 PolarHBondContact O-OG1 2.96Å; F30-T32 PolarHBondContact O-N 2.91Å; T32-H34 PolarHBondContact O-N 3.22Å; T32-V37 HydrophobicContact CG2-CB 4.21Å; T32-V37 HydrophobicContact CG2-CG2 3.95Å; T32-F66 HydrophobicContact CG2-CE1 4.16Å; T32-N72 PolarHBondContact OG1-ND2 2.79Å; T32-N72 VanDerWaalsContact OG1-ND2 3.15Å; T32-V74 HydrophobicContact CG2-CG2 3.59Å
33Q95.6Very high97Very high125 Ų12519.6 Ų19.658%0.58410%0.095SC*.THydrogen-bonded Turntrans-63.7-27.4171.4-62.2178.550.300112.3R11 E29 F30 L31R11-Q33 PolarHBondContact NH1-O 3.26Å; E29-Q33 PolarHBondContact O-NE2 3.24Å; F30-Q33 WeakPolarHBondContact O-CB 3.43Å; F30-Q33 PolarHBondContact O-N 2.82Å; L31-Q33 PolarHBondContact O-N 2.76Å; L31-Q33 VanDerWaalsContact O-N 3.17Å
34H96.2Very high96.9Very high30 Ų3019.3 Ų19.314%0.1399%0.093CC..THydrogen-bonded Turntrans-122.1-15.5-169.8-50.5-72.4000114.4I2 E6 F30 L31 T32I2-H34 HydrophobicContact CG2-CB 4.15Å; I2-H34 WeakPolarHBondContact CG2-ND1 3.42Å; E6-H34 IonicContact OE1-CE1 2.66Å; E6-H34 PolarHBondContact OE1-CE1 2.72Å; E6-H34 IonicContact OE1-ND1 3.04Å; E6-H34 PolarHBondContact OE1-ND1 2.97Å; F30-H34 PolarHBondContact O-CD2 2.9Å; L31-H34 PolarHBondContact O-N 3.41Å; T32-H34 PolarHBondContact O-N 3.22Å
35A97.3Very high96.8Very high0 Ų019.8 Ų19.80%010%0.096CC..SBendtrans-152.8161.5-170.300000112.7R11 P12 I14 L31R11-A35 VanDerWaalsContact NH2-C 3.32Å; R11-A35 PolarHBondContact NH2-O 2.65Å; P12-A35 HydrophobicContact CG-CB 3.97Å; P12-A35 WeakPolarHBondContact O-CB 3.37Å; I14-A35 HydrophobicContact CD1-CB 3.33Å; I14-A35 HydrophobicContact CG1-CB 3.85Å; L31-A35 PolarHBondContact O-N 2.86Å
36D97.7Very high96.8Very high75 Ų7519.8 Ų19.840%0.40110%0.096SC..EExtended strand (participates in β ladder)trans-90.4115.8173.6-61.6-24.8000108.6R11 P12 R13 I14R11-D36 IonicContact CZ-OD1 3.41Å; R11-D36 IonicContact NE-OD1 2.83Å; R11-D36 PolarHBondContact NE-OD1 3.39Å; R11-D36 IonicContact NH2-OD1 3.08Å; R11-D36 PolarHBondContact NH2-OD1 2.87Å; R11-D36 VanDerWaalsContact NH2-OD1 3.08Å; P12-D36 PolarHBondContact O-N 3.13Å; R13-D36 WeakPolarHBondContact CA-O 3.22Å; I14-D36 PolarHBondContact N-O 3.27Å
37V98.4Very high96.6Very high4 Ų422.4 Ų22.42%0.02411%0.109CC..EExtended strand (participates in β ladder)trans-110.5131-165.1-171.90000110.6I16 L28 L31 T32 V74 D75I16-V37 HydrophobicContact CB-CG1 4.48Å; I16-V37 HydrophobicContact CG1-CG1 3.94Å; L28-V37 HydrophobicContact CD2-CB 4.16Å; L28-V37 HydrophobicContact CD2-CG1 3.59Å; L31-V37 HydrophobicContact CB-CG2 3.68Å; T32-V37 HydrophobicContact CG2-CB 4.21Å; T32-V37 HydrophobicContact CG2-CG2 3.95Å; V37-V74 WeakPolarHBondContact O-CA 3.43Å; V37-D75 PolarHBondContact O-N 3.07Å
38T98.7Very high96.6Very high10 Ų1023 Ų236%0.06111%0.113CC..EExtended strand (participates in β ladder)trans-115.5132.9167.2-57.30000108.9I14 L15 I16 D75 I77 F125I14-T38 PolarHBondContact O-N 2.87Å; L15-T38 WeakPolarHBondContact CA-O 3.36Å; L15-T38 HydrophobicContact CD1-CG2 3.69Å; I16-T38 PolarHBondContact N-O 3.07Å; T38-D75 CarbonylContact C-O 3.59Å; T38-D75 WeakPolarHBondContact CA-O 3.19Å; T38-D75 HydrophobicContact CG2-CB 3.85Å; T38-I77 HydrophobicContact CG2-CD1 3.72Å; T38-I77 HydrophobicContact CG2-CG1 3.88Å; T38-F125 HydrophobicContact CG2-CE1 4.5Å; T38-F125 HydrophobicContact CG2-CZ 4.03Å; T38-F125 WeakPolarHBondContact OG1-CE1 3.32Å; T38-F125 WeakPolarHBondContact OG1-CZ 3.31Å
39I98.7Very high96.5Very high0 Ų028.5 Ų28.50%014%0.138CC..EExtended strand (participates in β ladder)trans-85.2128170.8-65.3-60000109.2I16 L28 Q59 I63 V74 D75 L76 I77I16-I39 HydrophobicContact CB-CD1 4.06Å; I16-I39 HydrophobicContact CG2-CD1 4.12Å; I16-I39 WeakPolarHBondContact O-CA 3.32Å; L28-I39 HydrophobicContact CD1-CD1 4.42Å; L28-I39 HydrophobicContact CD1-CG1 4.22Å; L28-I39 HydrophobicContact CD2-CD1 3.7Å; L28-I39 HydrophobicContact CD2-CG1 4.01Å; L28-I39 HydrophobicContact CG-CD1 4.15Å; L28-I39 HydrophobicContact CG-CG1 4.45Å; I39-Q59 HydrophobicContact CG2-CG 4.36Å; I39-I63 HydrophobicContact CB-CD1 3.86Å; I39-I63 HydrophobicContact CG1-CD1 3.83Å; I39-I63 HydrophobicContact CG2-CD1 4.31Å; I39-V74 HydrophobicContact CG1-CG1 4.06Å; I39-D75 PolarHBondContact N-O 2.91Å; I39-L76 HydrophobicContact CB-CD1 3.93Å; I39-L76 HydrophobicContact CG2-CD1 3.64Å; I39-L76 WeakPolarHBondContact O-CA 3.47Å; I39-I77 PolarHBondContact O-N 3.42Å
40F98.6Very high96.5Very high2 Ų226.4 Ų26.41%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-101.1103.9166.4179.7-124.7000109.1L15 I16 H17 S18 S42 I77 D79 L115 A116 E119L15-F40 HydrophobicContact CD1-CB 3.85Å; L15-F40 HydrophobicContact CD2-CB 4.08Å; L15-F40 HydrophobicContact CD2-CG 4.39Å; L15-F40 HydrophobicContact CG-CB 3.85Å; I16-F40 PolarHBondContact O-N 3.25Å; H17-F40 CarbonylContact C-O 3.57Å; H17-F40 WeakPolarHBondContact CA-O 3.48Å; S18-F40 PolarHBondContact N-O 3.1Å; F40-S42 VanDerWaalsContact CE1-CB 3.41Å; F40-S42 PolarHBondContact O-N 3.19Å; F40-I77 CarbonylContact C-O 3.59Å; F40-I77 WeakPolarHBondContact CA-O 3.21Å; F40-I77 HydrophobicContact CD2-CB 4.15Å; F40-I77 HydrophobicContact CD2-CG2 3.86Å; F40-I77 HydrophobicContact CE2-CG2 4.18Å; F40-D79 HydrophobicContact CE1-CB 4.47Å; F40-D79 HydrophobicContact CE2-CB 3.61Å; F40-D79 HydrophobicContact CZ-CB 3.56Å; F40-L115 HydrophobicContact CE1-CB 4.01Å; F40-L115 HydrophobicContact CZ-CB 4.35Å; F40-A116 HydrophobicContact CD1-CB 3.91Å; F40-A116 HydrophobicContact CE1-CB 4.26Å; F40-E119 HydrophobicContact CD2-CG 4.06Å; F40-E119 HydrophobicContact CE2-CB 4.3Å; F40-E119 HydrophobicContact CE2-CG 3.94Å; F40-E119 HydrophobicContact CZ-CB 4.33Å; F40-E119 HydrophobicContact CZ-CG 4.46Å
41F98.2Very high96.5Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-82.8104.2176.5-171.2-82.9000109.9S18 C19 I46 Y52 R55 V56 Q59 L76 I77 D79S18-F41 WeakPolarHBondContact O-CA 3.32Å; C19-F41 VanDerWaalsContact C-CE2 3.43Å; F41-I46 HydrophobicContact CE1-CD1 4.37Å; F41-I46 HydrophobicContact CZ-CD1 4.08Å; F41-Y52 HydrophobicContact CD1-CE2 4.23Å; F41-Y52 HydrophobicContact CE1-CD2 4.06Å; F41-Y52 AromaticContact CE1-CE2 3.66Å; F41-Y52 HydrophobicContact CE1-CE2 3.66Å; F41-R55 HydrophobicContact CE2-CB 4.18Å; F41-R55 HydrophobicContact CZ-CB 3.76Å; F41-V56 HydrophobicContact CD1-CG2 3.68Å; F41-V56 HydrophobicContact CE1-CG2 3.34Å; F41-V56 HydrophobicContact CG-CG2 4.48Å; F41-V56 HydrophobicContact CZ-CG2 3.86Å; F41-Q59 HydrophobicContact CD2-CB 3.95Å; F41-Q59 HydrophobicContact CD2-CG 3.85Å; F41-Q59 HydrophobicContact CE2-CB 4.14Å; F41-Q59 HydrophobicContact CE2-CG 4.49Å; F41-L76 HydrophobicContact CB-CD1 3.96Å; F41-I77 PolarHBondContact N-O 2.89Å; F41-D79 WeakPolarHBondContact O-CB 3.39Å; F41-D79 PolarHBondContact O-N 3.25Å
42S96.6Very high96.6Very high1 Ų124.5 Ų24.51%0.00712%0.121CC..  trans-138.2117.9178.6174.90000110.9H17 S18 F40 D79H17-S42 PolarHBondContact NE2-O 3.28Å; S18-S42 PolarHBondContact O-N 3.08Å; S18-S42 VanDerWaalsContact O-N 3.1Å; F40-S42 VanDerWaalsContact CE1-CB 3.41Å; F40-S42 PolarHBondContact O-N 3.19Å; S42-D79 VanDerWaalsContact CB-OD2 3.25Å; S42-D79 WeakPolarHBondContact CB-OD2 3.47Å; S42-D79 PolarHBondContact OG-OD2 3.39Å
43N94.6Very high96.6Very high1 Ų127.2 Ų27.21%0.00513%0.133CC..  trans-165.783.4168.4-172.43.2000112.5C19 N45 I46 R112 C187C19-N43 HydrophobicContact CB-CB 3.59Å; C19-N43 WeakPolarHBondContact CB-ND2 3.38Å; N43-N45 PolarHBondContact O-N 3.37Å; N43-N45 VanDerWaalsContact OD1-CB 3.31Å; N43-N45 WeakPolarHBondContact OD1-CB 3.48Å; N43-N45 PolarHBondContact OD1-N 3.41Å; N43-N45 VanDerWaalsContact OD1-N 3.15Å; N43-I46 HydrophobicContact CB-CD1 3.65Å; N43-I46 HydrophobicContact CB-CG1 3.86Å; N43-I46 WeakPolarHBondContact ND2-CG1 3.49Å; N43-I46 WeakPolarHBondContact O-CG1 3.39Å; N43-I46 PolarHBondContact O-N 2.95Å; N43-I46 VanDerWaalsContact O-N 3.13Å; N43-R112 VanDerWaalsContact CG-CZ 3.43Å; N43-R112 PolarHBondContact ND2-NH2 2.89Å; N43-R112 VanDerWaalsContact OD1-CZ 3.23Å; N43-R112 PolarHBondContact OD1-NE 2.66Å; N43-R112 PolarHBondContact OD1-NH2 3.05Å; N43-C187 PolarHBondContact ND2-O 3.13Å
44S92.8Very high96.7Very high8 Ų821.7 Ų21.76%0.05611%0.106CC..THydrogen-bonded Turntrans-61.8-13173.9-61.70000114.9I46 D80 K82 P83S44-I46 VanDerWaalsContact C-N 3.33Å; S44-D80 PolarHBondContact OG-O 3.12Å; S44-K82 WeakPolarHBondContact CB-O 3.44Å; S44-K82 PolarHBondContact OG-N 2.91Å; S44-P83 VanDerWaalsContact O-CA 3.26Å; S44-P83 WeakPolarHBondContact O-CA 3.46Å; S44-P83 WeakPolarHBondContact O-CB 3.45Å
45N93.5Very high96.7Very high9 Ų920.4 Ų20.45%0.04810%0.1CC..THydrogen-bonded Turntrans-82.9-7.8177.5-177.321.5000112.8N43 H47 F86 G188 C189N43-N45 PolarHBondContact O-N 3.37Å; N43-N45 VanDerWaalsContact OD1-CB 3.31Å; N43-N45 WeakPolarHBondContact OD1-CB 3.48Å; N43-N45 PolarHBondContact OD1-N 3.41Å; N43-N45 VanDerWaalsContact OD1-N 3.15Å; N45-H47 PolarHBondContact O-N 2.94Å; N45-F86 HydrophobicContact CB-CD1 3.74Å; N45-F86 HydrophobicContact CB-CD2 3.93Å; N45-F86 HydrophobicContact CB-CE1 3.77Å; N45-F86 HydrophobicContact CB-CE2 3.92Å; N45-F86 HydrophobicContact CB-CG 3.84Å; N45-F86 HydrophobicContact CB-CZ 3.85Å; N45-F86 VanDerWaalsContact ND2-CZ 3.26Å; N45-F86 WeakPolarHBondContact ND2-CZ 3.48Å; N45-F86 WeakPolarHBondContact OD1-CD1 3.28Å; N45-F86 WeakPolarHBondContact OD1-CE1 3.35Å; N45-F86 WeakPolarHBondContact OD1-CZ 3.43Å; N45-G188 CarbonylContact O-C 3.52Å; N45-G188 VanDerWaalsContact O-C 3.29Å; N45-C189 WeakPolarHBondContact ND2-CB 3.4Å; N45-C189 PolarHBondContact ND2-SG 2.94Å; N45-C189 WeakPolarHBondContact OD1-CA 3.26Å; N45-C189 WeakPolarHBondContact OD1-CB 3.15Å; N45-C189 PolarHBondContact OD1-SG 2.98Å
46I96.2Very high96.7Very high0 Ų021 Ų210%010%0.104CC..  trans-64.6121.5177.1-63.2163.3000109F41 N43 S44 E51 Y52 Y81 G188F41-I46 HydrophobicContact CE1-CD1 4.37Å; F41-I46 HydrophobicContact CZ-CD1 4.08Å; N43-I46 HydrophobicContact CB-CD1 3.65Å; N43-I46 HydrophobicContact CB-CG1 3.86Å; N43-I46 WeakPolarHBondContact ND2-CG1 3.49Å; N43-I46 WeakPolarHBondContact O-CG1 3.39Å; N43-I46 PolarHBondContact O-N 2.95Å; N43-I46 VanDerWaalsContact O-N 3.13Å; S44-I46 VanDerWaalsContact C-N 3.33Å; I46-E51 HydrophobicContact CG2-CB 3.94Å; I46-E51 HydrophobicContact CG2-CG 3.52Å; I46-Y52 HydrophobicContact CB-CD2 4.36Å; I46-Y52 HydrophobicContact CD1-CD2 3.97Å; I46-Y52 VanDerWaalsContact CG2-N 3.31Å; I46-Y81 WeakPolarHBondContact O-CE2 3.3Å; I46-Y81 PolarHBondContact O-OH 3.36Å; I46-G188 CarbonylContact C-O 3.29Å; I46-G188 WeakPolarHBondContact CA-O 3.35Å
47H94.3Very high96.7Very high87 Ų8718.7 Ų18.740%0.4039%0.092SC..SBendtrans-135.9133.8177.3-175.383.9000109.7N45 Y186 G188 V190N45-H47 PolarHBondContact O-N 2.94Å; H47-Y186 PolarHBondContact O-OH 3.09Å; H47-G188 PolarHBondContact N-O 2.87Å; H47-V190 HydrophobicContact CB-CB 4.2Å
48P95.2Very high96.7Very high13 Ų1319 Ų198%0.0849%0.094CC..SBendcis-76.2171.25.433.2-38.7000113.7S50 E51 Y52 N204P48-S50 VanDerWaalsContact C-N 3.26Å; P48-S50 PolarHBondContact O-N 2.99Å; P48-E51 HydrophobicContact CG-CB 4.18Å; P48-E51 WeakPolarHBondContact O-CA 3.27Å; P48-E51 VanDerWaalsContact O-CB 3.3Å; P48-E51 WeakPolarHBondContact O-CB 3.43Å; P48-E51 PolarHBondContact O-N 2.86Å; P48-Y52 PolarHBondContact O-N 3.15Å; P48-N204 HydrophobicContact CG-CB 3.84Å
49E96Very high96.7Very high114 Ų11418.6 Ų18.653%0.5339%0.091SC..Hα-helixtrans-55.8-38.9176.8178.1175.9-153.500113E51 Y52 Q53 Y81E49-E51 PolarHBondContact O-N 3.27Å; E49-Y52 WeakPolarHBondContact O-CA 3.39Å; E49-Y52 VanDerWaalsContact O-CB 3.3Å; E49-Y52 WeakPolarHBondContact O-CB 3.31Å; E49-Y52 PolarHBondContact O-N 3.46Å; E49-Q53 PolarHBondContact O-N 3.03Å; E49-Y81 HydrophobicContact CB-CE1 3.87Å; E49-Y81 HydrophobicContact CG-CD1 4.21Å; E49-Y81 HydrophobicContact CG-CE1 3.76Å
50S97Very high96.6Very high7 Ų722.2 Ų22.25%0.04911%0.108CC..Hα-helixtrans-60.1-31.9176.261.90000112.3P48 R54 N204 A207P48-S50 VanDerWaalsContact C-N 3.26Å; P48-S50 PolarHBondContact O-N 2.99Å; S50-R54 WeakPolarHBondContact O-CB 3.48Å; S50-R54 PolarHBondContact O-N 2.84Å; S50-N204 PolarHBondContact OG-OD1 2.93Å; S50-A207 WeakPolarHBondContact O-CB 3.42Å
51E97.6Very high96.6Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-70.9-36.2174.2172.270165.800111.5I46 P48 E49 R54 R55 Y186 I203 A207I46-E51 HydrophobicContact CG2-CB 3.94Å; I46-E51 HydrophobicContact CG2-CG 3.52Å; P48-E51 HydrophobicContact CG-CB 4.18Å; P48-E51 WeakPolarHBondContact O-CA 3.27Å; P48-E51 VanDerWaalsContact O-CB 3.3Å; P48-E51 WeakPolarHBondContact O-CB 3.43Å; P48-E51 PolarHBondContact O-N 2.86Å; E49-E51 PolarHBondContact O-N 3.27Å; E51-R54 IonicContact OE1-NH2 3.76Å; E51-R54 IonicContact OE2-CZ 2.77Å; E51-R54 IonicContact OE2-NE 3.55Å; E51-R54 PolarHBondContact OE2-NE 3.45Å; E51-R54 IonicContact OE2-NH2 3.69Å; E51-R54 PolarHBondContact OE2-NH2 3.49Å; E51-R55 WeakPolarHBondContact O-CB 3.49Å; E51-R55 VanDerWaalsContact O-CG 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.41Å; E51-R55 PolarHBondContact O-N 2.96Å; E51-R55 IonicContact OE1-CZ 2.72Å; E51-R55 IonicContact OE1-NE 3.96Å; E51-R55 PolarHBondContact OE1-NE 3.35Å; E51-R55 IonicContact OE1-NH2 3.2Å; E51-R55 PolarHBondContact OE1-NH2 3.16Å; E51-Y186 HydrophobicContact CG-CE1 4.46Å; E51-Y186 WeakPolarHBondContact CG-OH 3.41Å; E51-I203 HydrophobicContact CB-CG2 4.24Å; E51-I203 HydrophobicContact CG-CG2 4.4Å; E51-A207 HydrophobicContact CB-CB 4.49Å
52Y97.3Very high96.6Very high22 Ų2226.1 Ų26.19%0.08613%0.125CC..Hα-helixtrans-59.3-51.7172.1170.6-87000109.6F41 I46 P48 E49 R54 R55 V56 I78 D79 Y81F41-Y52 HydrophobicContact CD1-CE2 4.23Å; F41-Y52 HydrophobicContact CE1-CD2 4.06Å; F41-Y52 AromaticContact CE1-CE2 3.66Å; F41-Y52 HydrophobicContact CE1-CE2 3.66Å; I46-Y52 HydrophobicContact CB-CD2 4.36Å; I46-Y52 HydrophobicContact CD1-CD2 3.97Å; I46-Y52 VanDerWaalsContact CG2-N 3.31Å; P48-Y52 PolarHBondContact O-N 3.15Å; E49-Y52 WeakPolarHBondContact O-CA 3.39Å; E49-Y52 VanDerWaalsContact O-CB 3.3Å; E49-Y52 WeakPolarHBondContact O-CB 3.31Å; E49-Y52 PolarHBondContact O-N 3.46Å; Y52-R54 PolarHBondContact O-N 3.04Å; Y52-R55 PolarHBondContact O-N 2.95Å; Y52-R55 VanDerWaalsContact O-N 3.12Å; Y52-V56 HydrophobicContact CD1-CG2 4.19Å; Y52-V56 HydrophobicContact CE1-CG2 3.71Å; Y52-V56 HydrophobicContact CE2-CG2 4.37Å; Y52-V56 WeakPolarHBondContact O-CG2 3.48Å; Y52-V56 PolarHBondContact O-N 3.01Å; Y52-I78 WeakPolarHBondContact OH-CG2 3.32Å; Y52-D79 PolarHBondContact OH-O 3.29Å; Y52-Y81 HydrophobicContact CD1-CD1 4.36Å; Y52-Y81 HydrophobicContact CD1-CD2 4.09Å; Y52-Y81 AromaticContact CD1-CG 3.93Å; Y52-Y81 HydrophobicContact CD1-CG 3.93Å; Y52-Y81 AromaticContact CD2-CD2 3.31Å; Y52-Y81 HydrophobicContact CD2-CD2 3.31Å; Y52-Y81 AromaticContact CD2-CE2 3.78Å; Y52-Y81 HydrophobicContact CD2-CE2 3.78Å; Y52-Y81 AromaticContact CD2-CG 3.98Å; Y52-Y81 HydrophobicContact CD2-CG 3.98Å; Y52-Y81 HydrophobicContact CE1-CD2 4.37Å; Y52-Y81 HydrophobicContact CE1-CG 4.06Å; Y52-Y81 AromaticContact CE2-CD2 3.62Å; Y52-Y81 HydrophobicContact CE2-CD2 3.62Å; Y52-Y81 HydrophobicContact CE2-CG 4.08Å; Y52-Y81 HydrophobicContact CG-CD1 4.46Å; Y52-Y81 AromaticContact CG-CD2 3.58Å; Y52-Y81 HydrophobicContact CG-CD2 3.58Å; Y52-Y81 AromaticContact CG-CE2 3.87Å; Y52-Y81 HydrophobicContact CG-CE2 3.87Å; Y52-Y81 AromaticContact CG-CG 3.91Å; Y52-Y81 HydrophobicContact CG-CG 3.91Å
53Q97Very high96.7Very high63 Ų6326.5 Ų26.529%0.29413%0.127SC..Hα-helixtrans-59-46.1178.9-67.6173.4-23.200112.1E49 R55 V56 L57 V211E49-Q53 PolarHBondContact O-N 3.03Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.38Å; Q53-V56 PolarHBondContact O-N 2.94Å; Q53-L57 WeakPolarHBondContact O-CG 3.45Å; Q53-L57 PolarHBondContact O-N 2.83Å; Q53-V211 HydrophobicContact CB-CG1 4.41Å; Q53-V211 HydrophobicContact CB-CG2 3.72Å
54R97.8Very high96.8Very high9 Ų932.3 Ų32.33%0.03415%0.154CC..Hα-helixtrans-56-47.3174.5172.4166.365.4174.50.1111.2S50 E51 Y52 V56 L57 V58 Y182 E206 A207 F210 V211S50-R54 WeakPolarHBondContact O-CB 3.48Å; S50-R54 PolarHBondContact O-N 2.84Å; E51-R54 IonicContact OE1-NH2 3.76Å; E51-R54 IonicContact OE2-CZ 2.77Å; E51-R54 IonicContact OE2-NE 3.55Å; E51-R54 PolarHBondContact OE2-NE 3.45Å; E51-R54 IonicContact OE2-NH2 3.69Å; E51-R54 PolarHBondContact OE2-NH2 3.49Å; Y52-R54 PolarHBondContact O-N 3.04Å; R54-V56 VanDerWaalsContact C-N 3.33Å; R54-V56 PolarHBondContact O-N 2.89Å; R54-L57 PolarHBondContact O-N 3.17Å; R54-V58 HydrophobicContact CG-CG2 4.22Å; R54-V58 WeakPolarHBondContact O-CB 3.48Å; R54-V58 WeakPolarHBondContact O-CG2 3.42Å; R54-V58 PolarHBondContact O-N 2.87Å; R54-Y182 HydrophobicContact CG-CD1 4.34Å; R54-Y182 PolarHBondContact NH2-OH 2.95Å; R54-E206 IonicContact NH1-OE2 3.17Å; R54-A207 HydrophobicContact CB-CB 4.12Å; R54-F210 HydrophobicContact CB-CD1 4.14Å; R54-F210 HydrophobicContact CG-CB 4.43Å; R54-F210 HydrophobicContact CG-CD1 3.64Å; R54-F210 HydrophobicContact CG-CE1 4.1Å; R54-F210 HydrophobicContact CG-CG 4.05Å; R54-V211 HydrophobicContact CB-CG2 4.18Å
55R97.8Very high97.1Very high3 Ų334 Ų341%0.01116%0.162CC..Hα-helixtrans-67.4-32.6-178.6-72.5176.9-172.6-163.512.7113.2F41 E51 Y52 Q53 Q59 Y186 C187F41-R55 HydrophobicContact CE2-CB 4.18Å; F41-R55 HydrophobicContact CZ-CB 3.76Å; E51-R55 WeakPolarHBondContact O-CB 3.49Å; E51-R55 VanDerWaalsContact O-CG 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.41Å; E51-R55 PolarHBondContact O-N 2.96Å; E51-R55 IonicContact OE1-CZ 2.72Å; E51-R55 IonicContact OE1-NE 3.96Å; E51-R55 PolarHBondContact OE1-NE 3.35Å; E51-R55 IonicContact OE1-NH2 3.2Å; E51-R55 PolarHBondContact OE1-NH2 3.16Å; Y52-R55 PolarHBondContact O-N 2.95Å; Y52-R55 VanDerWaalsContact O-N 3.12Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.38Å; R55-Q59 VanDerWaalsContact O-CB 3.31Å; R55-Q59 WeakPolarHBondContact O-CB 3.17Å; R55-Q59 PolarHBondContact O-N 3.08Å; R55-Y186 PolarHBondContact NH2-O 3.24Å; R55-Y186 VanDerWaalsContact NH2-O 3.16Å; R55-C187 PolarHBondContact NH1-O 3.04Å
56V97.5Very high97.3Very high14 Ų1433.7 Ų33.79%0.08516%0.16CC..Hα-helixtrans-61.7-55.2171.5170.10000109.8F41 Y52 Q53 R54 V58 Q59 E60 I78F41-V56 HydrophobicContact CD1-CG2 3.68Å; F41-V56 HydrophobicContact CE1-CG2 3.34Å; F41-V56 HydrophobicContact CG-CG2 4.48Å; F41-V56 HydrophobicContact CZ-CG2 3.86Å; Y52-V56 HydrophobicContact CD1-CG2 4.19Å; Y52-V56 HydrophobicContact CE1-CG2 3.71Å; Y52-V56 HydrophobicContact CE2-CG2 4.37Å; Y52-V56 WeakPolarHBondContact O-CG2 3.48Å; Y52-V56 PolarHBondContact O-N 3.01Å; Q53-V56 PolarHBondContact O-N 2.94Å; R54-V56 VanDerWaalsContact C-N 3.33Å; R54-V56 PolarHBondContact O-N 2.89Å; V56-V58 VanDerWaalsContact C-N 3.29Å; V56-V58 PolarHBondContact O-N 2.85Å; V56-Q59 CarbonylContact O-C 3.48Å; V56-Q59 WeakPolarHBondContact O-CA 3.16Å; V56-Q59 WeakPolarHBondContact O-CB 3.45Å; V56-Q59 PolarHBondContact O-N 3.16Å; V56-E60 HydrophobicContact CG1-CG 4.42Å; V56-E60 PolarHBondContact O-N 2.87Å; V56-I78 HydrophobicContact CG1-CD1 3.58Å; V56-I78 HydrophobicContact CG1-CG1 4.3Å; V56-I78 HydrophobicContact CG2-CG2 4.42Å
57L97.7Very high97.4Very high26 Ų2635.1 Ų35.114%0.13617%0.168CC..Hα-helixtrans-58.3-40.6-179.7-67.9166.3000112.3Q53 R54 Q59 E60 K61 F210 V211 H214 Q215Q53-L57 WeakPolarHBondContact O-CG 3.45Å; Q53-L57 PolarHBondContact O-N 2.83Å; R54-L57 PolarHBondContact O-N 3.17Å; L57-Q59 VanDerWaalsContact C-N 3.35Å; L57-E60 PolarHBondContact O-N 2.78Å; L57-K61 WeakPolarHBondContact O-CB 3.49Å; L57-K61 PolarHBondContact O-N 3.25Å; L57-F210 HydrophobicContact CB-CE1 3.98Å; L57-F210 HydrophobicContact CD1-CD1 4.47Å; L57-F210 HydrophobicContact CD1-CE1 4.35Å; L57-V211 HydrophobicContact CD1-CB 4.32Å; L57-V211 HydrophobicContact CD1-CG1 4.36Å; L57-V211 HydrophobicContact CD1-CG2 4Å; L57-H214 HydrophobicContact CD1-CB 4.16Å; L57-Q215 HydrophobicContact CD1-CG 4.03Å; L57-Q215 HydrophobicContact CD2-CG 4.25Å
58V97.9Very high97.6Very high11 Ų1135.8 Ų35.87%0.06718%0.178CC..Hα-helixtrans-66.8-36.8175.7174.30000111.3A21 R54 V56 F62 V181 F210A21-V58 HydrophobicContact CB-CG1 3.77Å; R54-V58 HydrophobicContact CG-CG2 4.22Å; R54-V58 WeakPolarHBondContact O-CB 3.48Å; R54-V58 WeakPolarHBondContact O-CG2 3.42Å; R54-V58 PolarHBondContact O-N 2.87Å; V56-V58 VanDerWaalsContact C-N 3.29Å; V56-V58 PolarHBondContact O-N 2.85Å; V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 3.21Å; V58-F62 PolarHBondContact O-N 3.4Å; V58-V181 HydrophobicContact CG1-CG1 3.92Å; V58-F210 HydrophobicContact CG2-CE1 3.85Å; V58-F210 HydrophobicContact CG2-CE2 4.43Å; V58-F210 HydrophobicContact CG2-CZ 3.65Å
59Q98.1Very high97.7Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-68.1-42175.8-178.167.783.800111.9S18 C20 S24 I39 F41 R55 V56 L57 I63 L76S18-Q59 PolarHBondContact OG-OE1 2.88Å; C20-Q59 PolarHBondContact O-OE1 3.22Å; S24-Q59 VanDerWaalsContact OG-CD 3.3Å; S24-Q59 PolarHBondContact OG-NE2 3.14Å; S24-Q59 PolarHBondContact OG-OE1 3.44Å; I39-Q59 HydrophobicContact CG2-CG 4.36Å; F41-Q59 HydrophobicContact CD2-CB 3.95Å; F41-Q59 HydrophobicContact CD2-CG 3.85Å; F41-Q59 HydrophobicContact CE2-CB 4.14Å; F41-Q59 HydrophobicContact CE2-CG 4.49Å; R55-Q59 VanDerWaalsContact O-CB 3.31Å; R55-Q59 WeakPolarHBondContact O-CB 3.17Å; R55-Q59 PolarHBondContact O-N 3.08Å; V56-Q59 CarbonylContact O-C 3.48Å; V56-Q59 WeakPolarHBondContact O-CA 3.16Å; V56-Q59 WeakPolarHBondContact O-CB 3.45Å; V56-Q59 PolarHBondContact O-N 3.16Å; L57-Q59 VanDerWaalsContact C-N 3.35Å; Q59-I63 HydrophobicContact CG-CD1 4.06Å; Q59-I63 WeakPolarHBondContact O-CG1 3.42Å; Q59-I63 PolarHBondContact O-N 3.48Å; Q59-L76 HydrophobicContact CG-CD1 4Å; Q59-L76 HydrophobicContact CG-CD2 4.44Å
60E97.6Very high97.8Very high77 Ų7736.1 Ų36.136%0.3620%0.195SC..Hα-helixtrans-59.6-54174.4-74.9171.2157.300111V56 L57 F62 I63 H64 L76 I78V56-E60 HydrophobicContact CG1-CG 4.42Å; V56-E60 PolarHBondContact O-N 2.87Å; L57-E60 PolarHBondContact O-N 2.78Å; E60-F62 VanDerWaalsContact C-N 3.34Å; E60-F62 PolarHBondContact O-N 2.77Å; E60-I63 PolarHBondContact O-N 2.96Å; E60-H64 PolarHBondContact O-N 2.94Å; E60-L76 HydrophobicContact CB-CD2 4.29Å; E60-L76 HydrophobicContact CG-CD2 3.36Å; E60-I78 VanDerWaalsContact OE1-CD1 3.32Å; E60-I78 WeakPolarHBondContact OE1-CD1 3.43Å
61K97.5Very high97.8Very high82 Ų8239.2 Ų39.236%0.35723%0.228SC..Hα-helixtrans-56.2-48.4177.5-178.6-177.6-179.8-620111.3L57 I63 H64 D65L57-K61 WeakPolarHBondContact O-CB 3.49Å; L57-K61 PolarHBondContact O-N 3.25Å; K61-I63 VanDerWaalsContact C-N 3.35Å; K61-I63 PolarHBondContact O-N 3.42Å; K61-H64 PolarHBondContact O-N 2.93Å; K61-D65 IonicContact NZ-OD2 2.79Å; K61-D65 PolarHBondContact NZ-OD2 2.85Å; K61-D65 WeakPolarHBondContact O-CB 3.44Å; K61-D65 VanDerWaalsContact O-CG 3.24Å; K61-D65 PolarHBondContact O-N 3.44Å
62F98.3Very high97.8Very high1 Ų141.5 Ų41.50%0.00424%0.241CC..Hα-helixtrans-59.9-43.9-180170.7-115.1000112.3A21 T25 L28 V58 E60 D65 F66 M175 Y179 V181A21-F62 HydrophobicContact CB-CB 3.92Å; A21-F62 HydrophobicContact CB-CD1 4.18Å; A21-F62 HydrophobicContact CB-CG 4.22Å; T25-F62 HydrophobicContact CG2-CE1 4.17Å; T25-F62 HydrophobicContact CG2-CE2 4.08Å; T25-F62 HydrophobicContact CG2-CZ 3.87Å; L28-F62 HydrophobicContact CD1-CE1 3.81Å; L28-F62 HydrophobicContact CD1-CZ 4.46Å; V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 3.21Å; V58-F62 PolarHBondContact O-N 3.4Å; E60-F62 VanDerWaalsContact C-N 3.34Å; E60-F62 PolarHBondContact O-N 2.77Å; F62-D65 PolarHBondContact O-N 2.95Å; F62-F66 HydrophobicContact CE2-CB 4.14Å; F62-F66 HydrophobicContact CE2-CD2 4.45Å; F62-F66 HydrophobicContact CZ-CB 4.22Å; F62-F66 HydrophobicContact CZ-CD2 4.19Å; F62-F66 HydrophobicContact CZ-CG 4.38Å; F62-F66 WeakPolarHBondContact O-CB 3.39Å; F62-F66 PolarHBondContact O-N 3.32Å; F62-M175 HydrophobicContact CE2-CE 4.33Å; F62-M175 HydrophobicContact CZ-CE 4.17Å; F62-Y179 HydrophobicContact CD2-CD1 4.34Å; F62-Y179 HydrophobicContact CD2-CG 4.07Å; F62-Y179 HydrophobicContact CE2-CD1 4.36Å; F62-Y179 HydrophobicContact CE2-CD2 4.07Å; F62-Y179 HydrophobicContact CE2-CE2 4.49Å; F62-Y179 AromaticContact CE2-CG 4Å; F62-Y179 HydrophobicContact CE2-CG 4Å; F62-V181 HydrophobicContact CB-CG2 4.27Å; F62-V181 HydrophobicContact CD2-CG2 3.85Å; F62-V181 HydrophobicContact CG-CG2 4.2Å
63I98.4Very high97.7Very high10 Ų1048.3 Ų48.35%0.05127%0.273CS..Hα-helixtrans-64.5-43178.2-72.8168.5000110.8L28 I39 Q59 E60 K61 F66 N67 V74 L76L28-I63 HydrophobicContact CD1-CG1 4.23Å; I39-I63 HydrophobicContact CB-CD1 3.86Å; I39-I63 HydrophobicContact CG1-CD1 3.83Å; I39-I63 HydrophobicContact CG2-CD1 4.31Å; Q59-I63 HydrophobicContact CG-CD1 4.06Å; Q59-I63 WeakPolarHBondContact O-CG1 3.42Å; Q59-I63 PolarHBondContact O-N 3.48Å; E60-I63 PolarHBondContact O-N 2.96Å; K61-I63 VanDerWaalsContact C-N 3.35Å; K61-I63 PolarHBondContact O-N 3.42Å; I63-F66 PolarHBondContact O-N 3.48Å; I63-N67 WeakPolarHBondContact O-CB 3.49Å; I63-N67 PolarHBondContact O-N 3.47Å; I63-N67 PolarHBondContact O-ND2 3.26Å; I63-V74 HydrophobicContact CD1-CG1 4.45Å; I63-V74 HydrophobicContact CG1-CG1 4.35Å; I63-V74 HydrophobicContact CG2-CB 4.1Å; I63-V74 HydrophobicContact CG2-CG1 4.08Å; I63-V74 VanDerWaalsContact CG2-O 3.23Å; I63-V74 WeakPolarHBondContact CG2-O 3.4Å; I63-L76 HydrophobicContact CD1-CB 3.82Å; I63-L76 HydrophobicContact CD1-CD1 3.82Å; I63-L76 HydrophobicContact CD1-CD2 4.24Å; I63-L76 HydrophobicContact CD1-CG 4.16Å
64H98Very high97.8Very high123 Ų12345.5 Ų45.557%0.56926%0.26SS*.Hα-helixtrans-58.8-50.9176.2177.378.6000112E60 K61 N67 T68E60-H64 PolarHBondContact O-N 2.94Å; K61-H64 PolarHBondContact O-N 2.93Å; H64-N67 PolarHBondContact O-N 3.49Å; H64-T68 WeakPolarHBondContact O-CB 3.43Å; H64-T68 PolarHBondContact O-N 3.24Å; H64-T68 PolarHBondContact O-OG1 2.94Å
65D98.1Very high97.8Very high42 Ų4249.2 Ų49.223%0.22528%0.281CS..Hα-helixtrans-65.5-41.5-178.9-64.9-15.8000111.2K61 F62 T68 A69 Y179K61-D65 IonicContact NZ-OD2 2.79Å; K61-D65 PolarHBondContact NZ-OD2 2.85Å; K61-D65 WeakPolarHBondContact O-CB 3.44Å; K61-D65 VanDerWaalsContact O-CG 3.24Å; K61-D65 PolarHBondContact O-N 3.44Å; F62-D65 PolarHBondContact O-N 2.95Å; D65-T68 PolarHBondContact O-N 3.17Å; D65-A69 VanDerWaalsContact O-CB 3.32Å; D65-A69 WeakPolarHBondContact O-CB 2.88Å; D65-A69 PolarHBondContact O-N 3.36Å; D65-Y179 HydrophobicContact CB-CD1 3.8Å; D65-Y179 HydrophobicContact CB-CE1 4.18Å
66F98.4Very high97.8Very high3 Ų351.4 Ų51.41%0.01329%0.292CS..Hα-helixtrans-61.2-47.4176.8177.9-94.6000111.5L28 E29 T32 F62 I63 T68 A69 T70 N72 V74 M175 Y179L28-F66 HydrophobicContact CB-CE1 4.06Å; L28-F66 HydrophobicContact CB-CE2 4.41Å; L28-F66 HydrophobicContact CB-CZ 4Å; L28-F66 HydrophobicContact CD1-CD1 4.43Å; E29-F66 HydrophobicContact CB-CE2 4.29Å; T32-F66 HydrophobicContact CG2-CE1 4.16Å; F62-F66 HydrophobicContact CE2-CB 4.14Å; F62-F66 HydrophobicContact CE2-CD2 4.45Å; F62-F66 HydrophobicContact CZ-CB 4.22Å; F62-F66 HydrophobicContact CZ-CD2 4.19Å; F62-F66 HydrophobicContact CZ-CG 4.38Å; F62-F66 WeakPolarHBondContact O-CB 3.39Å; F62-F66 PolarHBondContact O-N 3.32Å; I63-F66 PolarHBondContact O-N 3.48Å; F66-T68 VanDerWaalsContact C-N 3.33Å; F66-T68 PolarHBondContact O-N 2.77Å; F66-A69 PolarHBondContact O-N 3.35Å; F66-T70 HydrophobicContact CD2-CG2 4.15Å; F66-T70 HydrophobicContact CE2-CG2 3.92Å; F66-T70 HydrophobicContact CZ-CG2 4.16Å; F66-T70 WeakPolarHBondContact O-CB 3.5Å; F66-T70 WeakPolarHBondContact O-CG2 3.48Å; F66-T70 PolarHBondContact O-N 3.23Å; F66-T70 PolarHBondContact O-OG1 2.82Å; F66-N72 HydrophobicContact CE1-CB 4.04Å; F66-V74 HydrophobicContact CD1-CG2 4.22Å; F66-V74 HydrophobicContact CE1-CG2 4.07Å; F66-M175 HydrophobicContact CD2-CE 4.15Å; F66-M175 HydrophobicContact CE2-CE 4.14Å; F66-Y179 HydrophobicContact CB-CE1 4.46Å
67N98.3Very high97.9Very high31 Ų3152 Ų5217%0.16630%0.295CS..Hα-helixtrans-61.4-43.7176.8-73.9-13.4000111.1I63 H64 A69 T70 G71 N72 V74I63-N67 WeakPolarHBondContact O-CB 3.49Å; I63-N67 PolarHBondContact O-N 3.47Å; I63-N67 PolarHBondContact O-ND2 3.26Å; H64-N67 PolarHBondContact O-N 3.49Å; N67-A69 PolarHBondContact O-N 2.92Å; N67-T70 PolarHBondContact O-N 2.92Å; N67-G71 WeakPolarHBondContact O-CA 3.43Å; N67-G71 PolarHBondContact O-N 3.47Å; N67-N72 WeakPolarHBondContact CA-O 3.38Å; N67-N72 WeakPolarHBondContact CB-O 3.19Å; N67-N72 VanDerWaalsContact CG-O 3.23Å; N67-N72 PolarHBondContact OD1-O 2.86Å; N67-V74 PolarHBondContact ND2-N 2.89Å; N67-V74 PolarHBondContact ND2-O 3.31Å; N67-V74 WeakPolarHBondContact OD1-CB 3.38Å; N67-V74 PolarHBondContact OD1-N 3.3Å
68T98.2Very high97.9Very high101 Ų10154.2 Ų54.262%0.6231%0.306SS*.Hα-helixtrans-62.4-44.1178.4-58.40000112H64 D65 F66H64-T68 WeakPolarHBondContact O-CB 3.43Å; H64-T68 PolarHBondContact O-N 3.24Å; H64-T68 PolarHBondContact O-OG1 2.94Å; D65-T68 PolarHBondContact O-N 3.17Å; F66-T68 VanDerWaalsContact C-N 3.33Å; F66-T68 PolarHBondContact O-N 2.77Å
69A97.7Very high97.9Very high72 Ų7254.8 Ų54.860%0.59531%0.309SS*.Hα-helixtrans-74.1-30.3-177.600000113.4D65 F66 N67 Y179D65-A69 VanDerWaalsContact O-CB 3.32Å; D65-A69 WeakPolarHBondContact O-CB 2.88Å; D65-A69 PolarHBondContact O-N 3.36Å; F66-A69 PolarHBondContact O-N 3.35Å; N67-A69 PolarHBondContact O-N 2.92Å; A69-Y179 HydrophobicContact CB-CE1 4.21Å
70T97.2Very high97.7Very high62 Ų6259.5 Ų59.538%0.3833%0.334SS..Hα-helixtrans-108.6-13.5-171.563.90000114.4F66 N67 N72F66-T70 HydrophobicContact CD2-CG2 4.15Å; F66-T70 HydrophobicContact CE2-CG2 3.92Å; F66-T70 HydrophobicContact CZ-CG2 4.16Å; F66-T70 WeakPolarHBondContact O-CB 3.5Å; F66-T70 WeakPolarHBondContact O-CG2 3.48Å; F66-T70 PolarHBondContact O-N 3.23Å; F66-T70 PolarHBondContact O-OG1 2.82Å; N67-T70 PolarHBondContact O-N 2.92Å; T70-N72 WeakPolarHBondContact CB-ND2 3.35Å; T70-N72 PolarHBondContact O-N 3.06Å; T70-N72 WeakPolarHBondContact OG1-CB 3.18Å; T70-N72 PolarHBondContact OG1-N 3Å; T70-N72 PolarHBondContact OG1-ND2 3.04Å
71G97.3Very high97.6Very high72 Ų7258.1 Ų58.174%0.74233%0.326SS*.  trans72.19.3-171.400000114N67N67-G71 WeakPolarHBondContact O-CA 3.43Å; N67-G71 PolarHBondContact O-N 3.47Å
72N96.9Very high97.5Very high48 Ų4858 Ų5826%0.25733%0.325SS..  trans-74.5163.4174.2-73.4-51.9000111.6T32 F66 N67 T70T32-N72 PolarHBondContact OG1-ND2 2.79Å; T32-N72 VanDerWaalsContact OG1-ND2 3.15Å; F66-N72 HydrophobicContact CE1-CB 4.04Å; N67-N72 WeakPolarHBondContact CA-O 3.38Å; N67-N72 WeakPolarHBondContact CB-O 3.19Å; N67-N72 VanDerWaalsContact CG-O 3.23Å; N67-N72 PolarHBondContact OD1-O 2.86Å; T70-N72 WeakPolarHBondContact CB-ND2 3.35Å; T70-N72 PolarHBondContact O-N 3.06Å; T70-N72 WeakPolarHBondContact OG1-CB 3.18Å; T70-N72 PolarHBondContact OG1-N 3Å; T70-N72 PolarHBondContact OG1-ND2 3.04Å
73Q96.6Very high97.3Very high164 Ų16459.5 Ų59.577%0.76634%0.335SS*.  trans-124.479.7173.3-169.41727.700109.8
74V98.4Very high97Very high5 Ų564.6 Ų64.63%0.0336%0.363CS..  trans-88.4124.8172.4177.50000109.3L28 T32 V37 I39 I63 F66 N67L28-V74 HydrophobicContact CD1-CG1 3.96Å; L28-V74 HydrophobicContact CD1-CG2 4.34Å; L28-V74 HydrophobicContact CD2-CG1 3.76Å; L28-V74 HydrophobicContact CD2-CG2 3.97Å; T32-V74 HydrophobicContact CG2-CG2 3.59Å; V37-V74 WeakPolarHBondContact O-CA 3.43Å; I39-V74 HydrophobicContact CG1-CG1 4.06Å; I63-V74 HydrophobicContact CD1-CG1 4.45Å; I63-V74 HydrophobicContact CG1-CG1 4.35Å; I63-V74 HydrophobicContact CG2-CB 4.1Å; I63-V74 HydrophobicContact CG2-CG1 4.08Å; I63-V74 VanDerWaalsContact CG2-O 3.23Å; I63-V74 WeakPolarHBondContact CG2-O 3.4Å; F66-V74 HydrophobicContact CD1-CG2 4.22Å; F66-V74 HydrophobicContact CE1-CG2 4.07Å; N67-V74 PolarHBondContact ND2-N 2.89Å; N67-V74 PolarHBondContact ND2-O 3.31Å; N67-V74 WeakPolarHBondContact OD1-CB 3.38Å; N67-V74 PolarHBondContact OD1-N 3.3Å
75D98Very high96.7Very high87 Ų8764.2 Ų64.247%0.46536%0.361SS..EExtended strand (participates in β ladder)trans-89.5158.6173.9-67.9-42.9000111.8V37 T38 I39V37-D75 PolarHBondContact O-N 3.07Å; T38-D75 CarbonylContact C-O 3.59Å; T38-D75 WeakPolarHBondContact CA-O 3.19Å; T38-D75 HydrophobicContact CG2-CB 3.85Å; I39-D75 PolarHBondContact N-O 2.91Å
76L98.4Very high96.4Very high48 Ų4862.4 Ų62.425%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-126.2128.7175.2178.863.4000110.6I39 F41 Q59 E60 I63 I78I39-L76 HydrophobicContact CB-CD1 3.93Å; I39-L76 HydrophobicContact CG2-CD1 3.64Å; I39-L76 WeakPolarHBondContact O-CA 3.47Å; F41-L76 HydrophobicContact CB-CD1 3.96Å; Q59-L76 HydrophobicContact CG-CD1 4Å; Q59-L76 HydrophobicContact CG-CD2 4.44Å; E60-L76 HydrophobicContact CB-CD2 4.29Å; E60-L76 HydrophobicContact CG-CD2 3.36Å; I63-L76 HydrophobicContact CD1-CB 3.82Å; I63-L76 HydrophobicContact CD1-CD1 3.82Å; I63-L76 HydrophobicContact CD1-CD2 4.24Å; I63-L76 HydrophobicContact CD1-CG 4.16Å; L76-I78 HydrophobicContact CD2-CD1 4.27Å; L76-I78 HydrophobicContact CD2-CG1 4.15Å; L76-I78 HydrophobicContact CG-CG1 4.11Å
77I98.4Very high96Very high27 Ų2765.2 Ų65.214%0.13837%0.366CS..EExtended strand (participates in β ladder)trans-114.1128.8168.7-60.8168.7000107.4L15 T38 I39 F40 F41L15-I77 HydrophobicContact CD1-CD1 4.12Å; T38-I77 HydrophobicContact CG2-CD1 3.72Å; T38-I77 HydrophobicContact CG2-CG1 3.88Å; I39-I77 PolarHBondContact O-N 3.42Å; F40-I77 CarbonylContact C-O 3.59Å; F40-I77 WeakPolarHBondContact CA-O 3.21Å; F40-I77 HydrophobicContact CD2-CB 4.15Å; F40-I77 HydrophobicContact CD2-CG2 3.86Å; F40-I77 HydrophobicContact CE2-CG2 4.18Å; F41-I77 PolarHBondContact N-O 2.89Å
78I97.8Very high95.8Very high72 Ų7268.6 Ų68.637%0.36938%0.381SS..EExtended strand (participates in β ladder)trans-105.6122.1178.4-60.2164000108.1Y52 V56 E60 L76Y52-I78 WeakPolarHBondContact OH-CG2 3.32Å; V56-I78 HydrophobicContact CG1-CD1 3.58Å; V56-I78 HydrophobicContact CG1-CG1 4.3Å; V56-I78 HydrophobicContact CG2-CG2 4.42Å; E60-I78 VanDerWaalsContact OE1-CD1 3.32Å; E60-I78 WeakPolarHBondContact OE1-CD1 3.43Å; L76-I78 HydrophobicContact CD2-CD1 4.27Å; L76-I78 HydrophobicContact CD2-CG1 4.15Å; L76-I78 HydrophobicContact CG-CG1 4.11Å
79D97.3Very high95.5Very high24 Ų2466 Ų6613%0.12836%0.362CS..  trans-76.9156.9174.8-169.817.7000111.8F40 F41 S42 Y52 Y81F40-D79 HydrophobicContact CE1-CB 4.47Å; F40-D79 HydrophobicContact CE2-CB 3.61Å; F40-D79 HydrophobicContact CZ-CB 3.56Å; F41-D79 WeakPolarHBondContact O-CB 3.39Å; F41-D79 PolarHBondContact O-N 3.25Å; S42-D79 VanDerWaalsContact CB-OD2 3.25Å; S42-D79 WeakPolarHBondContact CB-OD2 3.47Å; S42-D79 PolarHBondContact OG-OD2 3.39Å; Y52-D79 PolarHBondContact OH-O 3.29Å; D79-Y81 PolarHBondContact O-N 2.98Å
80D95.2Very high95.3Very high98 Ų9862.5 Ų62.552%0.52433%0.334SS..  trans-60.7133.5175.4-68.5-29.5000111.4S44 K82S44-D80 PolarHBondContact OG-O 3.12Å; D80-K82 HydrophobicContact CB-CD 4.11Å; D80-K82 HydrophobicContact CB-CG 3.96Å; D80-K82 PolarHBondContact O-N 2.75Å; D80-K82 WeakPolarHBondContact OD2-CE 3.46Å; D80-K82 IonicContact OD2-NZ 3.04Å; D80-K82 PolarHBondContact OD2-NZ 3.46Å
81Y95.8Very high95Very high48 Ų4864.8 Ų64.819%0.18834%0.34CS..  trans-81.399.2173.4-176.8-123.3000111.3I46 E49 Y52 D79 P83I46-Y81 WeakPolarHBondContact O-CE2 3.3Å; I46-Y81 PolarHBondContact O-OH 3.36Å; E49-Y81 HydrophobicContact CB-CE1 3.87Å; E49-Y81 HydrophobicContact CG-CD1 4.21Å; E49-Y81 HydrophobicContact CG-CE1 3.76Å; Y52-Y81 HydrophobicContact CD1-CD1 4.36Å; Y52-Y81 HydrophobicContact CD1-CD2 4.09Å; Y52-Y81 AromaticContact CD1-CG 3.93Å; Y52-Y81 HydrophobicContact CD1-CG 3.93Å; Y52-Y81 AromaticContact CD2-CD2 3.31Å; Y52-Y81 HydrophobicContact CD2-CD2 3.31Å; Y52-Y81 AromaticContact CD2-CE2 3.78Å; Y52-Y81 HydrophobicContact CD2-CE2 3.78Å; Y52-Y81 AromaticContact CD2-CG 3.98Å; Y52-Y81 HydrophobicContact CD2-CG 3.98Å; Y52-Y81 HydrophobicContact CE1-CD2 4.37Å; Y52-Y81 HydrophobicContact CE1-CG 4.06Å; Y52-Y81 AromaticContact CE2-CD2 3.62Å; Y52-Y81 HydrophobicContact CE2-CD2 3.62Å; Y52-Y81 HydrophobicContact CE2-CG 4.08Å; Y52-Y81 HydrophobicContact CG-CD1 4.46Å; Y52-Y81 AromaticContact CG-CD2 3.58Å; Y52-Y81 HydrophobicContact CG-CD2 3.58Å; Y52-Y81 AromaticContact CG-CE2 3.87Å; Y52-Y81 HydrophobicContact CG-CE2 3.87Å; Y52-Y81 AromaticContact CG-CG 3.91Å; Y52-Y81 HydrophobicContact CG-CG 3.91Å; D79-Y81 PolarHBondContact O-N 2.98Å; Y81-P83 HydrophobicContact CD1-CG 4.21Å; Y81-P83 HydrophobicContact CE1-CB 4.34Å; Y81-P83 HydrophobicContact CE1-CG 3.67Å; Y81-P83 HydrophobicContact CE2-CB 4.2Å; Y81-P83 HydrophobicContact CE2-CG 4.3Å; Y81-P83 WeakPolarHBondContact O-CD 3.3Å
82K95Very high94.9Very high79 Ų7968.5 Ų68.534%0.34334%0.338SS..  trans-11765.1-176.3-59.9-178.2179.3146.30112.9S44 D80 N84 E85 F86S44-K82 WeakPolarHBondContact CB-O 3.44Å; S44-K82 PolarHBondContact OG-N 2.91Å; D80-K82 HydrophobicContact CB-CD 4.11Å; D80-K82 HydrophobicContact CB-CG 3.96Å; D80-K82 PolarHBondContact O-N 2.75Å; D80-K82 WeakPolarHBondContact OD2-CE 3.46Å; D80-K82 IonicContact OD2-NZ 3.04Å; D80-K82 PolarHBondContact OD2-NZ 3.46Å; K82-N84 VanDerWaalsContact C-N 3.27Å; K82-N84 PolarHBondContact O-N 3.19Å; K82-E85 HydrophobicContact CB-CB 4.29Å; K82-E85 HydrophobicContact CB-CG 4.08Å; K82-E85 WeakPolarHBondContact CD-OE1 3.35Å; K82-E85 WeakPolarHBondContact CD-OE2 3.45Å; K82-E85 PolarHBondContact O-N 3.16Å; K82-F86 PolarHBondContact O-N 3.05Å
83P93.3Very high94.8Very high34 Ų3471.9 Ų71.922%0.22135%0.351CS..Hα-helixtrans-62.7-31-173.525.7-35.7000113.8S44 Y81 F86 I87S44-P83 VanDerWaalsContact O-CA 3.26Å; S44-P83 WeakPolarHBondContact O-CA 3.46Å; S44-P83 WeakPolarHBondContact O-CB 3.45Å; Y81-P83 HydrophobicContact CD1-CG 4.21Å; Y81-P83 HydrophobicContact CE1-CB 4.34Å; Y81-P83 HydrophobicContact CE1-CG 3.67Å; Y81-P83 HydrophobicContact CE2-CB 4.2Å; Y81-P83 HydrophobicContact CE2-CG 4.3Å; Y81-P83 WeakPolarHBondContact O-CD 3.3Å; P83-F86 PolarHBondContact O-N 2.97Å; P83-I87 WeakPolarHBondContact O-CG1 3.25Å; P83-I87 PolarHBondContact O-N 2.99Å
84N92.6Very high94.7Very high116 Ų11672.4 Ų72.462%0.6235%0.353SS*.Hα-helixtrans-64.5-40.2178.5-69.6-23.8000112.1K82 F86 I87 Q88K82-N84 VanDerWaalsContact C-N 3.27Å; K82-N84 PolarHBondContact O-N 3.19Å; N84-F86 VanDerWaalsContact C-N 3.32Å; N84-F86 PolarHBondContact O-N 3.37Å; N84-I87 PolarHBondContact O-N 2.91Å; N84-Q88 WeakPolarHBondContact O-CB 3.3Å; N84-Q88 VanDerWaalsContact O-CG 3.26Å; N84-Q88 WeakPolarHBondContact O-CG 3.35Å; N84-Q88 PolarHBondContact O-N 3.13Å
85E92.3Very high94.5Very high116 Ų11673 Ų7354%0.54236%0.356SS..Hα-helixtrans-62.9-41.4177.1-65.5-176.217900111.1K82 Q88 L89K82-E85 HydrophobicContact CB-CB 4.29Å; K82-E85 HydrophobicContact CB-CG 4.08Å; K82-E85 WeakPolarHBondContact CD-OE1 3.35Å; K82-E85 WeakPolarHBondContact CD-OE2 3.45Å; K82-E85 PolarHBondContact O-N 3.16Å; E85-Q88 PolarHBondContact O-N 2.81Å; E85-L89 WeakPolarHBondContact O-CB 3.34Å; E85-L89 PolarHBondContact O-N 3.21Å
86F91.1Very high94.2Very high3 Ų372 Ų721%0.01335%0.35CS..Hα-helixtrans-61.6-47.4175.5175.5-97.5000111.8N45 K82 P83 N84 Q88 L89 M90 C108 M111 F191N45-F86 HydrophobicContact CB-CD1 3.74Å; N45-F86 HydrophobicContact CB-CD2 3.93Å; N45-F86 HydrophobicContact CB-CE1 3.77Å; N45-F86 HydrophobicContact CB-CE2 3.92Å; N45-F86 HydrophobicContact CB-CG 3.84Å; N45-F86 HydrophobicContact CB-CZ 3.85Å; N45-F86 VanDerWaalsContact ND2-CZ 3.26Å; N45-F86 WeakPolarHBondContact ND2-CZ 3.48Å; N45-F86 WeakPolarHBondContact OD1-CD1 3.28Å; N45-F86 WeakPolarHBondContact OD1-CE1 3.35Å; N45-F86 WeakPolarHBondContact OD1-CZ 3.43Å; K82-F86 PolarHBondContact O-N 3.05Å; P83-F86 PolarHBondContact O-N 2.97Å; N84-F86 VanDerWaalsContact C-N 3.32Å; N84-F86 PolarHBondContact O-N 3.37Å; F86-Q88 PolarHBondContact O-N 2.97Å; F86-L89 PolarHBondContact O-N 2.97Å; F86-M90 HydrophobicContact CD1-CG 4.25Å; F86-M90 HydrophobicContact CD2-CE 4.24Å; F86-M90 HydrophobicContact CD2-CG 4.42Å; F86-M90 HydrophobicContact CE1-CG 3.64Å; F86-M90 HydrophobicContact CE1-SD 4.5Å; F86-M90 HydrophobicContact CE2-CE 3.76Å; F86-M90 HydrophobicContact CE2-CG 3.86Å; F86-M90 HydrophobicContact CE2-SD 3.81Å; F86-M90 HydrophobicContact CZ-CE 4.25Å; F86-M90 HydrophobicContact CZ-CG 3.42Å; F86-M90 VanDerWaalsContact CZ-CG 3.42Å; F86-M90 HydrophobicContact CZ-SD 3.69Å; F86-M90 WeakPolarHBondContact O-CG 3.2Å; F86-M90 PolarHBondContact O-N 3.42Å; F86-C108 HydrophobicContact CE2-CB 3.94Å; F86-M111 HydrophobicContact CD2-CE 3.87Å; F86-M111 HydrophobicContact CD2-SD 4.02Å; F86-F191 HydrophobicContact CE1-CE2 4.41Å
87I90.3Very high93.8Very high63 Ų6374.2 Ų74.232%0.32338%0.376SS..Hα-helixtrans-62.4-45-179.8-67.8168.8000110.7P83 N84 L89 M90 Q91P83-I87 WeakPolarHBondContact O-CG1 3.25Å; P83-I87 PolarHBondContact O-N 2.99Å; N84-I87 PolarHBondContact O-N 2.91Å; I87-L89 VanDerWaalsContact C-N 3.35Å; I87-L89 PolarHBondContact O-N 3.26Å; I87-M90 PolarHBondContact O-N 2.96Å; I87-Q91 HydrophobicContact CG2-CG 4.48Å; I87-Q91 WeakPolarHBondContact O-CG 3.48Å; I87-Q91 PolarHBondContact O-N 3.02Å
88Q93.2Very high93.7Very high102 Ų10275.4 Ų75.448%0.47738%0.38SS..Hα-helixtrans-59.5-44.9177.2-73.8173.74.900111.4N84 E85 F86 M90 Q91 Q92N84-Q88 WeakPolarHBondContact O-CB 3.3Å; N84-Q88 VanDerWaalsContact O-CG 3.26Å; N84-Q88 WeakPolarHBondContact O-CG 3.35Å; N84-Q88 PolarHBondContact O-N 3.13Å; E85-Q88 PolarHBondContact O-N 2.81Å; F86-Q88 PolarHBondContact O-N 2.97Å; Q88-M90 VanDerWaalsContact C-N 3.32Å; Q88-M90 PolarHBondContact O-N 3.45Å; Q88-Q91 PolarHBondContact O-N 3.42Å; Q88-Q92 WeakPolarHBondContact O-CB 3.39Å; Q88-Q92 VanDerWaalsContact O-CG 3.27Å; Q88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q88-Q92 PolarHBondContact O-N 2.92Å
89L92.4Very high93.4Very high45 Ų4575.5 Ų75.524%0.23639%0.386CS..Hα-helixtrans-59.6-42.5176.4-17766.2000111.9E85 F86 I87 Q91 K93 M111E85-L89 WeakPolarHBondContact O-CB 3.34Å; E85-L89 PolarHBondContact O-N 3.21Å; F86-L89 PolarHBondContact O-N 2.97Å; I87-L89 VanDerWaalsContact C-N 3.35Å; I87-L89 PolarHBondContact O-N 3.26Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; L89-K93 HydrophobicContact CD1-CD 4Å; L89-K93 HydrophobicContact CD1-CG 4.41Å; L89-K93 HydrophobicContact CG-CD 4.31Å; L89-K93 WeakPolarHBondContact O-CB 3.25Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 2.91Å; L89-K93 VanDerWaalsContact O-N 3.12Å; L89-M111 HydrophobicContact CD2-CB 4.36Å; L89-M111 HydrophobicContact CD2-CG 4.44Å; L89-M111 HydrophobicContact CD2-SD 4.09Å
90M93.5Very high93.1Very high0 Ų076.9 Ų76.90%039%0.391CS..Hα-helixtrans-68.4-34.5178.3-63.6-53.497.100112.3F86 I87 Q88 E94 L95 I96 R104 A107F86-M90 HydrophobicContact CD1-CG 4.25Å; F86-M90 HydrophobicContact CD2-CE 4.24Å; F86-M90 HydrophobicContact CD2-CG 4.42Å; F86-M90 HydrophobicContact CE1-CG 3.64Å; F86-M90 HydrophobicContact CE1-SD 4.5Å; F86-M90 HydrophobicContact CE2-CE 3.76Å; F86-M90 HydrophobicContact CE2-CG 3.86Å; F86-M90 HydrophobicContact CE2-SD 3.81Å; F86-M90 HydrophobicContact CZ-CE 4.25Å; F86-M90 HydrophobicContact CZ-CG 3.42Å; F86-M90 VanDerWaalsContact CZ-CG 3.42Å; F86-M90 HydrophobicContact CZ-SD 3.69Å; F86-M90 WeakPolarHBondContact O-CG 3.2Å; F86-M90 PolarHBondContact O-N 3.42Å; I87-M90 PolarHBondContact O-N 2.96Å; Q88-M90 VanDerWaalsContact C-N 3.32Å; Q88-M90 PolarHBondContact O-N 3.45Å; M90-E94 PolarHBondContact O-N 2.98Å; M90-L95 PolarHBondContact O-N 2.86Å; M90-L95 HydrophobicContact SD-CB 4.31Å; M90-L95 HydrophobicContact SD-CD1 4.45Å; M90-I96 HydrophobicContact CB-CG1 4.34Å; M90-R104 HydrophobicContact CG-CG 4.4Å; M90-R104 HydrophobicContact SD-CB 4.48Å; M90-R104 HydrophobicContact SD-CG 3.52Å; M90-R104 VanDerWaalsContact SD-CG 3.52Å; M90-A107 HydrophobicContact CE-CB 3.77Å; M90-A107 HydrophobicContact SD-CB 4.41Å
91Q92.1Very high92.9Very high109 Ų10975 Ų7551%0.50940%0.395SS..Hα-helixtrans-68-51.4174.5-76.3174.8-16.100111.5I87 Q88 L89 K93 E94 I96I87-Q91 HydrophobicContact CG2-CG 4.48Å; I87-Q91 WeakPolarHBondContact O-CG 3.48Å; I87-Q91 PolarHBondContact O-N 3.02Å; Q88-Q91 PolarHBondContact O-N 3.42Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-K93 PolarHBondContact O-N 3.34Å; Q91-E94 WeakPolarHBondContact O-CA 3.47Å; Q91-E94 PolarHBondContact O-N 2.96Å; Q91-I96 HydrophobicContact CB-CD1 4.39Å; Q91-I96 HydrophobicContact CG-CD1 3.38Å; Q91-I96 HydrophobicContact CG-CG1 4.37Å
92Q94.3Very high92.8Very high150 Ų15073.6 Ų73.670%0.70140%0.395SS*.Hα-helixtrans-60.9-33.3-178.2-73.1172.1-3.600112.7Q88 E94Q88-Q92 WeakPolarHBondContact O-CB 3.39Å; Q88-Q92 VanDerWaalsContact O-CG 3.27Å; Q88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q88-Q92 PolarHBondContact O-N 2.92Å; Q92-E94 VanDerWaalsContact C-N 3.33Å
93K94Very high92.8Very high120 Ų12076.3 Ų76.352%0.52241%0.407SS..THydrogen-bonded Turntrans-88.62.1175.9-66.5-176.7175.3-70.10113.7L89 Q91 L95 A107L89-K93 HydrophobicContact CD1-CD 4Å; L89-K93 HydrophobicContact CD1-CG 4.41Å; L89-K93 HydrophobicContact CG-CD 4.31Å; L89-K93 WeakPolarHBondContact O-CB 3.25Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 2.91Å; L89-K93 VanDerWaalsContact O-N 3.12Å; Q91-K93 PolarHBondContact O-N 3.34Å; K93-L95 VanDerWaalsContact C-N 3.26Å; K93-L95 HydrophobicContact CB-CD1 3.63Å; K93-L95 HydrophobicContact CB-CD2 4.49Å; K93-L95 HydrophobicContact CB-CG 3.6Å; K93-L95 HydrophobicContact CD-CD1 4.04Å; K93-L95 WeakPolarHBondContact O-CD2 3.3Å; K93-L95 VanDerWaalsContact O-CG 3.31Å; K93-L95 WeakPolarHBondContact O-CG 3.42Å; K93-L95 PolarHBondContact O-N 3.1Å; K93-A107 HydrophobicContact CD-CB 4.42Å
94E95.7Very high92.9Very high174 Ų17474.9 Ų74.981%0.81340%0.397SS*.THydrogen-bonded Turntrans57.434.5-178.1-54.7-177.8117.900113.6M90 Q91 Q92M90-E94 PolarHBondContact O-N 2.98Å; Q91-E94 WeakPolarHBondContact O-CA 3.47Å; Q91-E94 PolarHBondContact O-N 2.96Å; Q92-E94 VanDerWaalsContact C-N 3.33Å
95L94.9Very high93.1Very high17 Ų1770 Ų709%0.08937%0.372CS..  trans-100.14-172.4-57179.4000114.3M90 K93 A97 E98 K103 R104 A107M90-L95 PolarHBondContact O-N 2.86Å; M90-L95 HydrophobicContact SD-CB 4.31Å; M90-L95 HydrophobicContact SD-CD1 4.45Å; K93-L95 VanDerWaalsContact C-N 3.26Å; K93-L95 HydrophobicContact CB-CD1 3.63Å; K93-L95 HydrophobicContact CB-CD2 4.49Å; K93-L95 HydrophobicContact CB-CG 3.6Å; K93-L95 HydrophobicContact CD-CD1 4.04Å; K93-L95 WeakPolarHBondContact O-CD2 3.3Å; K93-L95 VanDerWaalsContact O-CG 3.31Å; K93-L95 WeakPolarHBondContact O-CG 3.42Å; K93-L95 PolarHBondContact O-N 3.1Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 2.88Å; L95-E98 HydrophobicContact CB-CG 4.3Å; L95-E98 HydrophobicContact CD2-CG 3.95Å; L95-E98 WeakPolarHBondContact O-CB 3.38Å; L95-E98 PolarHBondContact O-N 2.85Å; L95-K103 HydrophobicContact CD2-CB 3.77Å; L95-K103 HydrophobicContact CD2-CD 4.48Å; L95-R104 HydrophobicContact CB-CB 4.16Å; L95-R104 HydrophobicContact CB-CG 4.49Å; L95-A107 HydrophobicContact CD1-CB 3.49Å; L95-A107 VanDerWaalsContact CD1-CB 3.49Å
96I91Very high93.2Very high66 Ų6666.4 Ų66.434%0.33836%0.358SS..THydrogen-bonded Turntrans-58.8-43.1-179.4-73.4170.5000111.3M90 Q91 E98 R104 F191M90-I96 HydrophobicContact CB-CG1 4.34Å; Q91-I96 HydrophobicContact CB-CD1 4.39Å; Q91-I96 HydrophobicContact CG-CD1 3.38Å; Q91-I96 HydrophobicContact CG-CG1 4.37Å; I96-E98 VanDerWaalsContact C-N 3.32Å; I96-E98 PolarHBondContact O-N 3.36Å; I96-R104 PolarHBondContact O-NH1 2.86Å; I96-F191 HydrophobicContact CB-CE1 4.42Å; I96-F191 HydrophobicContact CB-CZ 4.48Å; I96-F191 HydrophobicContact CG1-CE1 4.29Å; I96-F191 HydrophobicContact CG1-CZ 3.92Å; I96-F191 HydrophobicContact CG2-CD1 4.12Å; I96-F191 HydrophobicContact CG2-CE1 3.62Å; I96-F191 HydrophobicContact CG2-CZ 4.13Å
97A90.5Very high93.4Very high96 Ų9666.9 Ų66.979%0.79336%0.363SS*.THydrogen-bonded Turntrans-79.4-12.1-174.800000114L95L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 2.88Å
98E94.8Very high93.7Very high51 Ų5164.1 Ų64.124%0.23835%0.349CS..PPolyproline II helixtrans-58.8146-178.7-74.3-78.9134.600111.8L95 I96 K103 R104 Q195L95-E98 HydrophobicContact CB-CG 4.3Å; L95-E98 HydrophobicContact CD2-CG 3.95Å; L95-E98 WeakPolarHBondContact O-CB 3.38Å; L95-E98 PolarHBondContact O-N 2.85Å; I96-E98 VanDerWaalsContact C-N 3.32Å; I96-E98 PolarHBondContact O-N 3.36Å; E98-K103 HydrophobicContact CG-CB 4.09Å; E98-K103 WeakPolarHBondContact OE2-CB 3.44Å; E98-K103 WeakPolarHBondContact OE2-CG 3.21Å; E98-K103 PolarHBondContact OE2-N 2.58Å; E98-R104 HydrophobicContact CB-CB 3.87Å; E98-R104 PolarHBondContact O-NH1 2.88Å; E98-R104 PolarHBondContact O-NH2 3.39Å; E98-R104 VanDerWaalsContact O-NH2 3.13Å; E98-Q195 PolarHBondContact O-NE2 3.35Å
99P92.1Very high93.8Very high74 Ų7459.8 Ų59.848%0.48133%0.329SS..PPolyproline II helixtrans-68.7159.2175.129.4-34.5000111.3G101 G102P99-G101 PolarHBondContact O-N 3.4Å; P99-G102 WeakPolarHBondContact O-CA 3.19Å; P99-G102 PolarHBondContact O-N 3.2Å
100E90.9Very high93.9Very high53 Ų5360.7 Ų60.725%0.24833%0.334CS..THydrogen-bonded Turntrans-58.2136.4164.8-175.2173.1-165.600110.7G102 K138 A192 Q196E100-G102 PolarHBondContact O-N 3.03Å; E100-K138 IonicContact OE1-NZ 3.85Å; E100-A192 HydrophobicContact CG-CB 4.36Å; E100-Q196 VanDerWaalsContact CD-NE2 3.26Å; E100-Q196 PolarHBondContact OE1-NE2 3.45Å; E100-Q196 VanDerWaalsContact OE1-NE2 3.16Å; E100-Q196 PolarHBondContact OE2-NE2 3.34Å
101G91.3Very high94Very high59 Ų5962.4 Ų62.461%0.60834%0.342SS*.THydrogen-bonded Turntrans83.5-11.8-170.600000114P99 C105P99-G101 PolarHBondContact O-N 3.4Å; G101-C105 PolarHBondContact N-SG 2.88Å
102G94.1Very high94.2Very high18 Ų1857.5 Ų57.519%0.18632%0.319CS..SBendtrans-80.5-162.5175.300000114P99 E100 R104 C105 T106P99-G102 WeakPolarHBondContact O-CA 3.19Å; P99-G102 PolarHBondContact O-N 3.2Å; E100-G102 PolarHBondContact O-N 3.03Å; G102-R104 PolarHBondContact O-N 2.85Å; G102-R104 VanDerWaalsContact O-N 3.13Å; G102-C105 WeakPolarHBondContact O-CB 3.46Å; G102-C105 PolarHBondContact O-N 3.12Å; G102-T106 PolarHBondContact O-N 3.42Å
103K95.6Very high94.3Very high136 Ų13650.3 Ų50.359%0.59129%0.286SS*.Hα-helixtrans-61.3-28.4-172.2-64.4173.6-178.9171.10113.2L95 E98 C105 T106 A107L95-K103 HydrophobicContact CD2-CB 3.77Å; L95-K103 HydrophobicContact CD2-CD 4.48Å; E98-K103 HydrophobicContact CG-CB 4.09Å; E98-K103 WeakPolarHBondContact OE2-CB 3.44Å; E98-K103 WeakPolarHBondContact OE2-CG 3.21Å; E98-K103 PolarHBondContact OE2-N 2.58Å; K103-C105 VanDerWaalsContact C-N 3.33Å; K103-C105 PolarHBondContact O-N 2.94Å; K103-T106 WeakPolarHBondContact O-CB 3.46Å; K103-T106 PolarHBondContact O-N 3.39Å; K103-A107 PolarHBondContact O-N 2.76Å
104R94.9Very high94.5Very high4 Ų447.3 Ų47.32%0.01528%0.275CS..Hα-helixtrans-57.9-44.3172.1-173.2177.961.5-128.8-8.4112.3M90 L95 I96 E98 G102 A107 C108 F191M90-R104 HydrophobicContact CG-CG 4.4Å; M90-R104 HydrophobicContact SD-CB 4.48Å; M90-R104 HydrophobicContact SD-CG 3.52Å; M90-R104 VanDerWaalsContact SD-CG 3.52Å; L95-R104 HydrophobicContact CB-CB 4.16Å; L95-R104 HydrophobicContact CB-CG 4.49Å; I96-R104 PolarHBondContact O-NH1 2.86Å; E98-R104 HydrophobicContact CB-CB 3.87Å; E98-R104 PolarHBondContact O-NH1 2.88Å; E98-R104 PolarHBondContact O-NH2 3.39Å; E98-R104 VanDerWaalsContact O-NH2 3.13Å; G102-R104 PolarHBondContact O-N 2.85Å; G102-R104 VanDerWaalsContact O-N 3.13Å; R104-A107 PolarHBondContact O-N 2.79Å; R104-C108 WeakPolarHBondContact O-CB 3.45Å; R104-C108 PolarHBondContact O-N 3.11Å; R104-F191 VanDerWaalsContact NH1-CB 3.28Å
105C95.3Very high94.5Very high13 Ų1341.4 Ų41.49%0.08825%0.249CC..Hα-helixtrans-66.5-40.8177.4-73.70000110.9G101 G102 K103 A107 C108 F109G101-C105 PolarHBondContact N-SG 2.88Å; G102-C105 WeakPolarHBondContact O-CB 3.46Å; G102-C105 PolarHBondContact O-N 3.12Å; K103-C105 VanDerWaalsContact C-N 3.33Å; K103-C105 PolarHBondContact O-N 2.94Å; C105-A107 PolarHBondContact O-N 3.26Å; C105-C108 WeakPolarHBondContact O-CB 3.39Å; C105-C108 PolarHBondContact O-N 3.37Å; C105-F109 HydrophobicContact CB-CE2 3.96Å; C105-F109 HydrophobicContact CB-CZ 3.94Å; C105-F109 WeakPolarHBondContact O-CD2 3.37Å; C105-F109 WeakPolarHBondContact O-CG 3.39Å; C105-F109 PolarHBondContact O-N 3.11Å
106T95.7Very high94.7Very high41 Ų4140.6 Ų40.625%0.25225%0.245SC..Hα-helixtrans-56.8-48.5173.7-52.40000112G102 K103 C108 F109 N110 L142 I146G102-T106 PolarHBondContact O-N 3.42Å; K103-T106 WeakPolarHBondContact O-CB 3.46Å; K103-T106 PolarHBondContact O-N 3.39Å; T106-C108 VanDerWaalsContact C-N 3.31Å; T106-C108 PolarHBondContact O-N 3.03Å; T106-F109 PolarHBondContact O-N 3.47Å; T106-N110 PolarHBondContact O-N 3.45Å; T106-N110 PolarHBondContact O-ND2 3.28Å; T106-L142 HydrophobicContact CG2-CD1 4.24Å; T106-L142 HydrophobicContact CG2-CD2 4.43Å; T106-I146 HydrophobicContact CG2-CD1 4.16Å
107A95.4Very high95Very high14 Ų1437.5 Ų37.512%0.11623%0.229CC..Hα-helixtrans-63-38.6177.500000112M90 K93 L95 K103 R104 C105 N110 M111M90-A107 HydrophobicContact CE-CB 3.77Å; M90-A107 HydrophobicContact SD-CB 4.41Å; K93-A107 HydrophobicContact CD-CB 4.42Å; L95-A107 HydrophobicContact CD1-CB 3.49Å; L95-A107 VanDerWaalsContact CD1-CB 3.49Å; K103-A107 PolarHBondContact O-N 2.76Å; R104-A107 PolarHBondContact O-N 2.79Å; C105-A107 PolarHBondContact O-N 3.26Å; A107-N110 PolarHBondContact O-N 3.45Å; A107-M111 PolarHBondContact O-N 3.09Å; A107-M111 VanDerWaalsContact O-N 3.08Å
108C95.4Very high95.3Very high5 Ų537.5 Ų37.53%0.03421%0.211CC..Hα-helixtrans-64.5-40.6175.7-167.40000112.6F86 R104 C105 T106 R112F86-C108 HydrophobicContact CE2-CB 3.94Å; R104-C108 WeakPolarHBondContact O-CB 3.45Å; R104-C108 PolarHBondContact O-N 3.11Å; C105-C108 WeakPolarHBondContact O-CB 3.39Å; C105-C108 PolarHBondContact O-N 3.37Å; T106-C108 VanDerWaalsContact C-N 3.31Å; T106-C108 PolarHBondContact O-N 3.03Å; C108-R112 VanDerWaalsContact O-CG 3.29Å; C108-R112 WeakPolarHBondContact O-CG 3.47Å; C108-R112 PolarHBondContact O-N 3.21Å; C108-R112 PolarHBondContact SG-NE 3.35Å; C108-R112 PolarHBondContact SG-NH2 2.99Å
109F95.8Very high95.5Very high11 Ų1136.5 Ų36.55%0.04821%0.206CC..Hα-helixtrans-68.2-40.8176.2-56.3-33000112.2C105 T106 R112 L113 L132 K138 L142 I143 I146C105-F109 HydrophobicContact CB-CE2 3.96Å; C105-F109 HydrophobicContact CB-CZ 3.94Å; C105-F109 WeakPolarHBondContact O-CD2 3.37Å; C105-F109 WeakPolarHBondContact O-CG 3.39Å; C105-F109 PolarHBondContact O-N 3.11Å; T106-F109 PolarHBondContact O-N 3.47Å; F109-R112 PolarHBondContact O-N 2.93Å; F109-L113 WeakPolarHBondContact O-CB 3.39Å; F109-L113 PolarHBondContact O-N 3.22Å; F109-L132 HydrophobicContact CD1-CD1 3.77Å; F109-L132 HydrophobicContact CE1-CD1 4.08Å; F109-K138 HydrophobicContact CE1-CD 4.2Å; F109-K138 HydrophobicContact CZ-CD 3.75Å; F109-L142 HydrophobicContact CD2-CD2 4.42Å; F109-I143 HydrophobicContact CD2-CG1 4Å; F109-I143 HydrophobicContact CE2-CG1 4.33Å; F109-I143 HydrophobicContact CG-CG1 4.25Å; F109-I146 HydrophobicContact CB-CD1 3.81Å; F109-I146 HydrophobicContact CD2-CD1 4.47Å
110N95.7Very high95.8Very high63 Ų6333 Ų3334%0.33718%0.183SC..Hα-helixtrans-55.2-53.5174.2-84.6-81.9000111T106 A107 R112 L113 D114 I146T106-N110 PolarHBondContact O-N 3.45Å; T106-N110 PolarHBondContact O-ND2 3.28Å; A107-N110 PolarHBondContact O-N 3.45Å; N110-R112 VanDerWaalsContact C-N 3.32Å; N110-R112 PolarHBondContact O-N 3.36Å; N110-L113 PolarHBondContact O-N 3.36Å; N110-D114 VanDerWaalsContact O-CB 3.25Å; N110-D114 WeakPolarHBondContact O-CB 3.3Å; N110-D114 PolarHBondContact O-N 3.36Å; N110-I146 HydrophobicContact CB-CG2 4.32Å; N110-I146 WeakPolarHBondContact OD1-CG2 3.29Å
111M95Very high96.1Very high36 Ų3634 Ų3418%0.17719%0.19CC..Hα-helixtrans-55.9-45.8179.5-174.1-170.58200112.4F86 L89 A107 D114 L115F86-M111 HydrophobicContact CD2-CE 3.87Å; F86-M111 HydrophobicContact CD2-SD 4.02Å; L89-M111 HydrophobicContact CD2-CB 4.36Å; L89-M111 HydrophobicContact CD2-CG 4.44Å; L89-M111 HydrophobicContact CD2-SD 4.09Å; A107-M111 PolarHBondContact O-N 3.09Å; A107-M111 VanDerWaalsContact O-N 3.08Å; M111-D114 PolarHBondContact O-N 3.46Å; M111-L115 HydrophobicContact CG-CD1 4.39Å; M111-L115 VanDerWaalsContact O-CG 3.3Å; M111-L115 WeakPolarHBondContact O-CG 3.12Å; M111-L115 PolarHBondContact O-N 2.92Å; M111-L115 VanDerWaalsContact O-N 3.12Å
112R96Very high96.4Very high6 Ų637.2 Ų37.22%0.02319%0.189CC..Hα-helixtrans-69.5-39.4-177.7-68.7173-168.1-177.13.5113.2H17 N43 C108 F109 N110 A116H17-R112 WeakPolarHBondContact NE2-CD 3.39Å; N43-R112 VanDerWaalsContact CG-CZ 3.43Å; N43-R112 PolarHBondContact ND2-NH2 2.89Å; N43-R112 VanDerWaalsContact OD1-CZ 3.23Å; N43-R112 PolarHBondContact OD1-NE 2.66Å; N43-R112 PolarHBondContact OD1-NH2 3.05Å; C108-R112 VanDerWaalsContact O-CG 3.29Å; C108-R112 WeakPolarHBondContact O-CG 3.47Å; C108-R112 PolarHBondContact O-N 3.21Å; C108-R112 PolarHBondContact SG-NE 3.35Å; C108-R112 PolarHBondContact SG-NH2 2.99Å; F109-R112 PolarHBondContact O-N 2.93Å; N110-R112 VanDerWaalsContact C-N 3.32Å; N110-R112 PolarHBondContact O-N 3.36Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 3.05Å; R112-A116 VanDerWaalsContact O-N 3.09Å
113L96.9Very high96.5Very high0 Ų042.8 Ų42.80%021%0.205CC..Hα-helixtrans-73.4-31.6177.7-78171.5000111.9F109 N110 A116 A117 F128 I143 I146 I150 Y158F109-L113 WeakPolarHBondContact O-CB 3.39Å; F109-L113 PolarHBondContact O-N 3.22Å; N110-L113 PolarHBondContact O-N 3.36Å; L113-A116 PolarHBondContact O-N 2.91Å; L113-A117 WeakPolarHBondContact O-CB 3.49Å; L113-A117 PolarHBondContact O-N 3.19Å; L113-F128 HydrophobicContact CD2-CD2 4.48Å; L113-F128 HydrophobicContact CD2-CE2 4.35Å; L113-I143 HydrophobicContact CD1-CG2 4.12Å; L113-I146 HydrophobicContact CB-CG2 4.3Å; L113-I146 HydrophobicContact CD1-CB 3.95Å; L113-I146 HydrophobicContact CD1-CG2 3.55Å; L113-I150 HydrophobicContact CB-CD1 3.44Å; L113-I150 VanDerWaalsContact CB-CD1 3.44Å; L113-Y158 HydrophobicContact CD2-CE2 4.08Å
114D96.8Very high96.6Very high57 Ų5738.6 Ų38.631%0.30520%0.2SC..Hα-helixtrans-64.9-47.2175.2-178.878.1000110.4N110 M111 A116 A117 K118 I150 Y154N110-D114 VanDerWaalsContact O-CB 3.25Å; N110-D114 WeakPolarHBondContact O-CB 3.3Å; N110-D114 PolarHBondContact O-N 3.36Å; M111-D114 PolarHBondContact O-N 3.46Å; D114-A116 VanDerWaalsContact C-N 3.34Å; D114-A116 PolarHBondContact O-N 2.95Å; D114-A117 PolarHBondContact O-N 2.95Å; D114-K118 WeakPolarHBondContact O-CB 3.28Å; D114-K118 PolarHBondContact O-N 2.9Å; D114-I150 HydrophobicContact CB-CD1 4.3Å; D114-Y154 WeakPolarHBondContact OD1-CE2 3.33Å; D114-Y154 PolarHBondContact OD1-OH 3.21Å; D114-Y154 PolarHBondContact OD2-OH 3.12Å
115L97Very high96.7Very high50 Ų5039 Ų3926%0.26220%0.202SC..Hα-helixtrans-58.4-44.5172.9-68.7167.7000111.9F40 M111 K118 E119F40-L115 HydrophobicContact CE1-CB 4.01Å; F40-L115 HydrophobicContact CZ-CB 4.35Å; M111-L115 HydrophobicContact CG-CD1 4.39Å; M111-L115 VanDerWaalsContact O-CG 3.3Å; M111-L115 WeakPolarHBondContact O-CG 3.12Å; M111-L115 PolarHBondContact O-N 2.92Å; M111-L115 VanDerWaalsContact O-N 3.12Å; L115-K118 PolarHBondContact O-N 3.49Å; L115-E119 WeakPolarHBondContact O-CB 3.42Å; L115-E119 PolarHBondContact O-N 3.5Å
116A97.8Very high96.8Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-65.1-39.5178.200000112.9H17 F40 R112 L113 D114 A120 F128H17-A116 HydrophobicContact CB-CB 3.98Å; F40-A116 HydrophobicContact CD1-CB 3.91Å; F40-A116 HydrophobicContact CE1-CB 4.26Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 3.05Å; R112-A116 VanDerWaalsContact O-N 3.09Å; L113-A116 PolarHBondContact O-N 2.91Å; D114-A116 VanDerWaalsContact C-N 3.34Å; D114-A116 PolarHBondContact O-N 2.95Å; A116-A120 WeakPolarHBondContact O-CB 3.46Å; A116-A120 PolarHBondContact O-N 2.64Å; A116-F128 HydrophobicContact CB-CD2 4.43Å
117A98.1Very high96.9Very high0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-66.8-41.5176.900000111.6L113 D114 A120 L121 F128 I150 Y154 T156L113-A117 WeakPolarHBondContact O-CB 3.49Å; L113-A117 PolarHBondContact O-N 3.19Å; D114-A117 PolarHBondContact O-N 2.95Å; A117-A120 PolarHBondContact O-N 2.88Å; A117-L121 WeakPolarHBondContact O-CB 3.5Å; A117-L121 PolarHBondContact O-N 2.81Å; A117-F128 HydrophobicContact CB-CD1 4.18Å; A117-F128 HydrophobicContact CB-CD2 3.96Å; A117-F128 HydrophobicContact CB-CE1 3.97Å; A117-F128 HydrophobicContact CB-CE2 3.72Å; A117-F128 HydrophobicContact CB-CG 4.18Å; A117-F128 HydrophobicContact CB-CZ 3.74Å; A117-I150 HydrophobicContact CB-CG2 3.37Å; A117-Y154 HydrophobicContact CB-CD2 3.75Å; A117-Y154 HydrophobicContact CB-CE2 4.23Å; A117-Y154 HydrophobicContact CB-CG 4.12Å; A117-T156 HydrophobicContact CB-CG2 4.17Å; A117-T156 WeakPolarHBondContact O-CG2 3.34Å
118K97.5Very high97Very high97 Ų9741.5 Ų41.542%0.42221%0.208SC..Hα-helixtrans-60.8-50.1175-176.6178.8173.4-175.80111.4D114 L115 A120 L121 E122 Y154D114-K118 WeakPolarHBondContact O-CB 3.28Å; D114-K118 PolarHBondContact O-N 2.9Å; L115-K118 PolarHBondContact O-N 3.49Å; K118-A120 VanDerWaalsContact C-N 3.31Å; K118-A120 PolarHBondContact O-N 2.78Å; K118-L121 PolarHBondContact O-N 2.72Å; K118-E122 WeakPolarHBondContact CE-OE1 3.28Å; K118-E122 IonicContact NZ-OE1 3.07Å; K118-E122 WeakPolarHBondContact O-CG 3.45Å; K118-E122 PolarHBondContact O-N 3.06Å; K118-Y154 HydrophobicContact CB-CE1 4.14Å
119E97.8Very high97.1Very high29 Ų2941.2 Ų41.214%0.13621%0.206CC..Hα-helixtrans-61.6-40.3178.6-166.271.9-169.500111.7L15 F40 L115 E122 R123L15-E119 HydrophobicContact CD2-CB 3.79Å; L15-E119 HydrophobicContact CD2-CG 3.9Å; F40-E119 HydrophobicContact CD2-CG 4.06Å; F40-E119 HydrophobicContact CE2-CB 4.3Å; F40-E119 HydrophobicContact CE2-CG 3.94Å; F40-E119 HydrophobicContact CZ-CB 4.33Å; F40-E119 HydrophobicContact CZ-CG 4.46Å; L115-E119 WeakPolarHBondContact O-CB 3.42Å; L115-E119 PolarHBondContact O-N 3.5Å; E119-E122 PolarHBondContact O-N 3.01Å; E119-R123 PolarHBondContact O-N 2.99Å; E119-R123 VanDerWaalsContact O-N 3.13Å; E119-R123 IonicContact OE1-CZ 3.17Å; E119-R123 IonicContact OE1-NE 2.65Å; E119-R123 PolarHBondContact OE1-NE 3.01Å; E119-R123 IonicContact OE1-NH2 2.82Å; E119-R123 PolarHBondContact OE1-NH2 3.15Å
120A98.1Very high97.2Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-62.5-44.7176.900000111.9L15 A116 A117 K118 G124 F125 F128 T156L15-A120 HydrophobicContact CB-CB 4.22Å; L15-A120 HydrophobicContact CD2-CB 3.94Å; A116-A120 WeakPolarHBondContact O-CB 3.46Å; A116-A120 PolarHBondContact O-N 2.64Å; A117-A120 PolarHBondContact O-N 2.88Å; K118-A120 VanDerWaalsContact C-N 3.31Å; K118-A120 PolarHBondContact O-N 2.78Å; A120-G124 PolarHBondContact O-N 3.21Å; A120-F125 HydrophobicContact CB-CB 3.98Å; A120-F125 PolarHBondContact O-N 3.3Å; A120-F128 HydrophobicContact CB-CB 3.72Å; A120-T156 HydrophobicContact CB-CG2 4.4Å
121L97.6Very high97.3Very high76 Ų7637.7 Ų37.740%0.39819%0.188SC..Hα-helixtrans-63.9-48.8176.9178.663000111.4A117 K118 R123 G124 Y154 N155 T156A117-L121 WeakPolarHBondContact O-CB 3.5Å; A117-L121 PolarHBondContact O-N 2.81Å; K118-L121 PolarHBondContact O-N 2.72Å; L121-R123 PolarHBondContact O-N 3.05Å; L121-G124 PolarHBondContact O-N 2.86Å; L121-Y154 HydrophobicContact CD2-CD1 4.02Å; L121-N155 HydrophobicContact CD1-CB 4.28Å; L121-T156 HydrophobicContact CB-CG2 4.44Å
122E97.2Very high97.3Very high126 Ų12636.3 Ų36.359%0.58918%0.181SC*.Hα-helixtrans-61.9-31.2-177.2-73.8178.8-176.900112.8K118 E119K118-E122 WeakPolarHBondContact CE-OE1 3.28Å; K118-E122 IonicContact NZ-OE1 3.07Å; K118-E122 WeakPolarHBondContact O-CG 3.45Å; K118-E122 PolarHBondContact O-N 3.06Å; E119-E122 PolarHBondContact O-N 3.01Å
123R97.3Very high97.3Very high134 Ų13436 Ų3651%0.50618%0.18SC..THydrogen-bonded Turntrans-102.34.5-179.6-63.4-176.4-173.6-102.53.3114.9R13 E119 L121 F125R13-R123 PolarHBondContact NH1-O 3Å; E119-R123 PolarHBondContact O-N 2.99Å; E119-R123 VanDerWaalsContact O-N 3.13Å; E119-R123 IonicContact OE1-CZ 3.17Å; E119-R123 IonicContact OE1-NE 2.65Å; E119-R123 PolarHBondContact OE1-NE 3.01Å; E119-R123 IonicContact OE1-NH2 2.82Å; E119-R123 PolarHBondContact OE1-NH2 3.15Å; L121-R123 PolarHBondContact O-N 3.05Å; R123-F125 HydrophobicContact CB-CD2 3.73Å; R123-F125 HydrophobicContact CB-CE2 3.57Å; R123-F125 HydrophobicContact CG-CE2 4.46Å
124G96.9Very high97.3Very high48 Ų4836.2 Ų36.250%0.49518%0.181SC..THydrogen-bonded Turntrans63.747.6177.500000113.6R13 A120 L121R13-G124 PolarHBondContact NH1-O 2.64Å; A120-G124 PolarHBondContact O-N 3.21Å; L121-G124 PolarHBondContact O-N 2.86Å
125F98Very high97Very high13 Ų1334.7 Ų34.76%0.05718%0.175CC..  trans-81.8140.8167.7-74.1-92.5000110.5R13 L15 T38 A120 R123 Y127 T156R13-F125 HydrophobicContact CB-CD1 3.83Å; R13-F125 HydrophobicContact CB-CE1 4.36Å; L15-F125 HydrophobicContact CB-CB 4.32Å; L15-F125 HydrophobicContact CB-CD1 3.9Å; L15-F125 HydrophobicContact CB-CD2 4.15Å; L15-F125 HydrophobicContact CB-CE1 4.22Å; L15-F125 HydrophobicContact CB-CE2 4.44Å; L15-F125 HydrophobicContact CB-CG 3.87Å; L15-F125 HydrophobicContact CB-CZ 4.48Å; L15-F125 HydrophobicContact CD1-CD2 4.46Å; L15-F125 HydrophobicContact CD1-CE1 4.19Å; L15-F125 HydrophobicContact CD1-CE2 3.94Å; L15-F125 HydrophobicContact CD1-CZ 3.81Å; L15-F125 HydrophobicContact CD2-CD2 4.49Å; T38-F125 HydrophobicContact CG2-CE1 4.5Å; T38-F125 HydrophobicContact CG2-CZ 4.03Å; T38-F125 WeakPolarHBondContact OG1-CE1 3.32Å; T38-F125 WeakPolarHBondContact OG1-CZ 3.31Å; A120-F125 HydrophobicContact CB-CB 3.98Å; A120-F125 PolarHBondContact O-N 3.3Å; R123-F125 HydrophobicContact CB-CD2 3.73Å; R123-F125 HydrophobicContact CB-CE2 3.57Å; R123-F125 HydrophobicContact CG-CE2 4.46Å; F125-Y127 VanDerWaalsContact C-N 3.34Å; F125-T156 PolarHBondContact O-OG1 3.46Å
126D96.9Very high96.8Very high76 Ų7635.9 Ų35.941%0.40619%0.185SC..SBendtrans-68.2-38.9177.9-59-63.1000111P12 R13 H157P12-D126 WeakPolarHBondContact CA-OD2 3.5Å; P12-D126 HydrophobicContact CB-CB 4.01Å; R13-D126 PolarHBondContact N-OD2 2.98Å; R13-D126 PolarHBondContact O-N 3.47Å; D126-H157 WeakPolarHBondContact O-CB 3.3Å; D126-H157 PolarHBondContact O-N 3.29Å
127Y97.8Very high96.4Very high44 Ų4443.1 Ų43.117%0.17322%0.217CC..EExtended strand (participates in β ladder)trans-134.6149.7179.8-60.3-89.4000113M1 W5 P12 R13 I14 L15 F125 H157M1-Y127 HydrophobicContact CE-CD1 4.17Å; M1-Y127 HydrophobicContact CE-CE1 3.77Å; W5-Y127 AromaticContact CE2-CE2 3.96Å; W5-Y127 HydrophobicContact CH2-CD2 4.46Å; W5-Y127 HydrophobicContact CH2-CE2 4.37Å; W5-Y127 AromaticContact CZ2-CD2 3.93Å; W5-Y127 HydrophobicContact CZ2-CD2 3.93Å; W5-Y127 HydrophobicContact CZ2-CE1 4.39Å; W5-Y127 AromaticContact CZ2-CE2 3.44Å; W5-Y127 HydrophobicContact CZ2-CE2 3.44Å; W5-Y127 VanDerWaalsContact CZ2-CE2 3.44Å; W5-Y127 AromaticContact CZ2-CZ 3.71Å; P12-Y127 HydrophobicContact CB-CD2 3.98Å; P12-Y127 HydrophobicContact CB-CE2 3.94Å; P12-Y127 HydrophobicContact CG-CD2 4.44Å; P12-Y127 HydrophobicContact CG-CE2 4.37Å; R13-Y127 PolarHBondContact O-N 3.41Å; I14-Y127 WeakPolarHBondContact CA-O 3.44Å; I14-Y127 HydrophobicContact CG1-CD2 4.35Å; L15-Y127 PolarHBondContact N-O 3.43Å; F125-Y127 VanDerWaalsContact C-N 3.34Å; Y127-H157 CarbonylContact C-O 3.53Å; Y127-H157 WeakPolarHBondContact CA-O 3.09Å; Y127-H157 HydrophobicContact CD1-CB 3.41Å; Y127-H157 VanDerWaalsContact CD1-CB 3.41Å; Y127-H157 HydrophobicContact CE1-CB 3.49Å; Y127-H157 VanDerWaalsContact CE1-CB 3.49Å; Y127-H157 HydrophobicContact CG-CB 4.3Å
128F98.3Very high96Very high0 Ų044.2 Ų44.20%022%0.222CC..EExtended strand (participates in β ladder)trans-117.5149.2161.976.6-77.1000110.9L15 L113 A116 A117 A120 I150 Q151 T156 H157 Y158 L159L15-F128 CarbonylContact O-C 3.54Å; L15-F128 VanDerWaalsContact O-CA 3.25Å; L15-F128 WeakPolarHBondContact O-CA 3.4Å; L113-F128 HydrophobicContact CD2-CD2 4.48Å; L113-F128 HydrophobicContact CD2-CE2 4.35Å; A116-F128 HydrophobicContact CB-CD2 4.43Å; A117-F128 HydrophobicContact CB-CD1 4.18Å; A117-F128 HydrophobicContact CB-CD2 3.96Å; A117-F128 HydrophobicContact CB-CE1 3.97Å; A117-F128 HydrophobicContact CB-CE2 3.72Å; A117-F128 HydrophobicContact CB-CG 4.18Å; A117-F128 HydrophobicContact CB-CZ 3.74Å; A120-F128 HydrophobicContact CB-CB 3.72Å; F128-I150 HydrophobicContact CE2-CG2 4.2Å; F128-I150 HydrophobicContact CZ-CB 4.31Å; F128-I150 HydrophobicContact CZ-CG2 3.88Å; F128-Q151 HydrophobicContact CE1-CB 4.17Å; F128-Q151 HydrophobicContact CZ-CB 4.4Å; F128-T156 HydrophobicContact CD1-CG2 3.55Å; F128-T156 HydrophobicContact CE1-CG2 3.76Å; F128-H157 WeakPolarHBondContact CD1-O 3.37Å; F128-H157 PolarHBondContact N-O 3.44Å; F128-Y158 AromaticContact CD2-CD2 3.96Å; F128-Y158 HydrophobicContact CD2-CD2 3.96Å; F128-Y158 HydrophobicContact CE1-CD2 4.27Å; F128-Y158 AromaticContact CE2-CD2 3.53Å; F128-Y158 HydrophobicContact CE2-CD2 3.53Å; F128-Y158 HydrophobicContact CE2-CE2 4.24Å; F128-Y158 HydrophobicContact CE2-CG 4.46Å; F128-Y158 HydrophobicContact CG-CD2 4.5Å; F128-Y158 AromaticContact CZ-CD2 3.7Å; F128-Y158 HydrophobicContact CZ-CD2 3.7Å; F128-Y158 HydrophobicContact CZ-CG 4.2Å; F128-Y158 CarbonylContact O-C 3.51Å; F128-Y158 WeakPolarHBondContact O-CA 3.04Å; F128-Y158 WeakPolarHBondContact O-CD2 3.34Å; F128-L159 PolarHBondContact O-N 3.27Å
129G97.7Very high95.9Very high0 Ų043.5 Ų43.50%022%0.222CC..EExtended strand (participates in β ladder)trans-153.8-172.8179.600000112.1L15 H17L15-G129 PolarHBondContact O-N 3.14Å; H17-G129 WeakPolarHBondContact CB-O 3.39Å; H17-G129 PolarHBondContact N-O 3.03Å
130S97.7Very high95.7Very high0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-142.6127.7179.8-175.70000112.6H17 L132 T133H17-S130 PolarHBondContact ND1-OG 3.36Å; S130-L132 PolarHBondContact O-N 3.15Å; S130-L132 WeakPolarHBondContact OG-CB 3.23Å; S130-L132 VanDerWaalsContact OG-CG 3.27Å; S130-L132 WeakPolarHBondContact OG-CG 3.44Å; S130-L132 PolarHBondContact OG-N 2.71Å; S130-T133 PolarHBondContact O-OG1 3.02Å
131A97.2Very high95.7Very high0 Ų049.7 Ų49.70%025%0.252CS..G310 helixtrans-68.8-7.6173.600000112.9I16 H17 C23 T27 T133 I134I16-A131 HydrophobicContact CG2-CB 3.77Å; H17-A131 WeakPolarHBondContact O-CB 3.47Å; H17-A131 PolarHBondContact O-N 2.95Å; C23-A131 HydrophobicContact CB-CB 3.88Å; C23-A131 WeakPolarHBondContact O-CB 3.31Å; T27-A131 HydrophobicContact CG2-CB 4.3Å; A131-T133 PolarHBondContact O-N 2.59Å; A131-T133 VanDerWaalsContact O-N 3.14Å; A131-I134 WeakPolarHBondContact O-CG2 3.42Å; A131-I134 PolarHBondContact O-N 3.13Å
132L95.5Very high95.6Very high6 Ų648.5 Ų48.53%0.03125%0.246CC..G310 helixtrans-60.4-23.5178.3-68177.1000113.3F109 S130 I134 S135 I143F109-L132 HydrophobicContact CD1-CD1 3.77Å; F109-L132 HydrophobicContact CE1-CD1 4.08Å; S130-L132 PolarHBondContact O-N 3.15Å; S130-L132 WeakPolarHBondContact OG-CB 3.23Å; S130-L132 VanDerWaalsContact OG-CG 3.27Å; S130-L132 WeakPolarHBondContact OG-CG 3.44Å; S130-L132 PolarHBondContact OG-N 2.71Å; L132-I134 PolarHBondContact O-N 3.37Å; L132-S135 PolarHBondContact O-N 3.06Å; L132-I143 HydrophobicContact CB-CD1 3.8Å
133T95.7Very high95.6Very high0 Ų042.5 Ų42.50%022%0.218CC..G310 helixtrans-69.6-11.3-177.865.60000113.3S130 A131 S135 I143 S161 F163 K164S130-T133 PolarHBondContact O-OG1 3.02Å; A131-T133 PolarHBondContact O-N 2.59Å; A131-T133 VanDerWaalsContact O-N 3.14Å; T133-S135 VanDerWaalsContact C-N 3.34Å; T133-I143 HydrophobicContact CG2-CB 4.22Å; T133-I143 HydrophobicContact CG2-CD1 4.37Å; T133-I143 HydrophobicContact CG2-CG2 3.83Å; T133-S161 WeakPolarHBondContact CG2-O 3.27Å; T133-S161 PolarHBondContact OG1-OG 3.32Å; T133-F163 WeakPolarHBondContact OG1-CD2 3.1Å; T133-F163 PolarHBondContact OG1-N 3.18Å; T133-K164 PolarHBondContact O-NZ 3.06Å
134I95.6Very high95.7Very high4 Ų437.5 Ų37.52%0.02120%0.201CC..G310 helixtrans-72.8-24.5174.4-158.9168.5000113.8C23 Y26 A131 L132 F163 Y169C23-I134 HydrophobicContact CB-CG2 4.28Å; Y26-I134 HydrophobicContact CD1-CD1 4.27Å; A131-I134 WeakPolarHBondContact O-CG2 3.42Å; A131-I134 PolarHBondContact O-N 3.13Å; L132-I134 PolarHBondContact O-N 3.37Å; I134-F163 HydrophobicContact CB-CB 3.83Å; I134-F163 HydrophobicContact CD1-CB 4.47Å; I134-F163 HydrophobicContact CG1-CB 4.03Å; I134-Y169 WeakPolarHBondContact O-CD2 3.46Å
135S92.4Very high95.7Very high26 Ų2640.1 Ų40.118%0.18220%0.201CC..  trans-79.2130.3-176.1-178.50000110.5L132 T133 K137 K138L132-S135 PolarHBondContact O-N 3.06Å; T133-S135 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 3.18Å; S135-K137 PolarHBondContact OG-N 3.5Å; S135-K138 PolarHBondContact O-N 2.96Å; S135-K138 VanDerWaalsContact O-N 3.12Å
136P91.3Very high95.7Very high74 Ų7439.9 Ų39.948%0.48120%0.2SC..THydrogen-bonded Turntrans-65.9-21.8174.527-35.1000112.2K138 Y169P136-K138 PolarHBondContact O-N 3.27Å; P136-Y169 VanDerWaalsContact CD-CD2 3.42Å; P136-Y169 VanDerWaalsContact CD-CE2 3.4Å; P136-Y169 HydrophobicContact CG-CD1 4.04Å; P136-Y169 HydrophobicContact CG-CD2 4.24Å; P136-Y169 HydrophobicContact CG-CE1 3.81Å; P136-Y169 HydrophobicContact CG-CE2 4.02Å; P136-Y169 HydrophobicContact CG-CG 4.24Å
137K89.1Confident95.7Very high152 Ų15236.3 Ų36.366%0.66118%0.181SC*.THydrogen-bonded Turntrans-79.6-4177.3-60.8-173.2178.1-1750113.3S135S135-K137 PolarHBondContact O-N 3.18Å; S135-K137 PolarHBondContact OG-N 3.5Å
138K91.3Very high95.7Very high23 Ų2337.6 Ų37.610%0.119%0.189CC..SBendtrans-114.4132.1-174.6-57.1-63.4171.6-161.20109.8E100 F109 S135 P136 S140 I143E100-K138 IonicContact OE1-NZ 3.85Å; F109-K138 HydrophobicContact CE1-CD 4.2Å; F109-K138 HydrophobicContact CZ-CD 3.75Å; S135-K138 PolarHBondContact O-N 2.96Å; S135-K138 VanDerWaalsContact O-N 3.12Å; P136-K138 PolarHBondContact O-N 3.27Å; K138-S140 PolarHBondContact O-N 3.3Å; K138-S140 VanDerWaalsContact O-N 3.09Å; K138-I143 HydrophobicContact CB-CD1 4.01Å
139N94Very high95.6Very high82 Ų8240.5 Ų40.544%0.43921%0.205SC..  trans-75.299.4177.4-175.5-21.8000109.2Q141 L142 I143N139-Q141 VanDerWaalsContact C-N 3.29Å; N139-Q141 PolarHBondContact O-N 3.15Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.25Å; N139-Q141 PolarHBondContact OD1-N 3.5Å; N139-Q141 VanDerWaalsContact OD1-N 3.08Å; N139-L142 HydrophobicContact CB-CB 3.94Å; N139-L142 PolarHBondContact O-N 3.34Å; N139-L142 PolarHBondContact OD1-N 3.23Å; N139-I143 WeakPolarHBondContact O-CG1 3.39Å; N139-I143 PolarHBondContact O-N 3.24Å; N139-I143 VanDerWaalsContact O-N 3.08Å
140S95.2Very high95.5Very high7 Ų741 Ų415%0.04921%0.207CC..Hα-helixtrans-64.8-33-179.947.90000112.5K138 I143 N144 D162 K164K138-S140 PolarHBondContact O-N 3.3Å; K138-S140 VanDerWaalsContact O-N 3.09Å; S140-I143 PolarHBondContact O-N 2.75Å; S140-N144 WeakPolarHBondContact O-CB 3.47Å; S140-N144 VanDerWaalsContact O-CG 3.24Å; S140-N144 PolarHBondContact O-N 2.88Å; S140-N144 PolarHBondContact O-ND2 3.09Å; S140-N144 VanDerWaalsContact O-ND2 3.15Å; S140-D162 VanDerWaalsContact CB-OD1 3.22Å; S140-D162 WeakPolarHBondContact CB-OD1 3.34Å; S140-D162 VanDerWaalsContact OG-CG 3.28Å; S140-D162 PolarHBondContact OG-OD1 2.86Å; S140-D162 PolarHBondContact OG-OD2 3.19Å; S140-K164 PolarHBondContact OG-NZ 3.21Å
141Q96.4Very high95.5Very high153 Ų15343.1 Ų43.172%0.71522%0.217SC*.Hα-helixtrans-64.5-44.9177.2-63.3166.3-15.400110.5N139 N144 Q145N139-Q141 VanDerWaalsContact C-N 3.29Å; N139-Q141 PolarHBondContact O-N 3.15Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.25Å; N139-Q141 PolarHBondContact OD1-N 3.5Å; N139-Q141 VanDerWaalsContact OD1-N 3.08Å; Q141-N144 PolarHBondContact O-N 3.44Å; Q141-Q145 WeakPolarHBondContact O-CB 3.26Å; Q141-Q145 PolarHBondContact O-N 2.91Å
142L96.8Very high95.4Very high50 Ų5050.4 Ų50.426%0.26225%0.249SC..Hα-helixtrans-61.8-46.1174.8176.563.1000111.8T106 F109 N139 N144 Q145 I146T106-L142 HydrophobicContact CG2-CD1 4.24Å; T106-L142 HydrophobicContact CG2-CD2 4.43Å; F109-L142 HydrophobicContact CD2-CD2 4.42Å; N139-L142 HydrophobicContact CB-CB 3.94Å; N139-L142 PolarHBondContact O-N 3.34Å; N139-L142 PolarHBondContact OD1-N 3.23Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 3.25Å; L142-Q145 PolarHBondContact O-N 2.95Å; L142-I146 HydrophobicContact CD1-CD1 4.11Å; L142-I146 HydrophobicContact CD1-CG1 4.34Å; L142-I146 HydrophobicContact CG-CD1 4.01Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.32Å
143I97.4Very high95.3Very high0 Ų056.3 Ų56.30%028%0.279CS..Hα-helixtrans-60.4-44.4178.3-68164000110.3F109 L113 L132 T133 K138 N139 S140 I146 G147F109-I143 HydrophobicContact CD2-CG1 4Å; F109-I143 HydrophobicContact CE2-CG1 4.33Å; F109-I143 HydrophobicContact CG-CG1 4.25Å; L113-I143 HydrophobicContact CD1-CG2 4.12Å; L132-I143 HydrophobicContact CB-CD1 3.8Å; T133-I143 HydrophobicContact CG2-CB 4.22Å; T133-I143 HydrophobicContact CG2-CD1 4.37Å; T133-I143 HydrophobicContact CG2-CG2 3.83Å; K138-I143 HydrophobicContact CB-CD1 4.01Å; N139-I143 WeakPolarHBondContact O-CG1 3.39Å; N139-I143 PolarHBondContact O-N 3.24Å; N139-I143 VanDerWaalsContact O-N 3.08Å; S140-I143 PolarHBondContact O-N 2.75Å; I143-I146 PolarHBondContact O-N 3.32Å; I143-G147 PolarHBondContact O-N 3.48Å
144N97.6Very high95.2Very high30 Ų3058.6 Ų58.616%0.1629%0.288CS..Hα-helixtrans-65.3-40.2177.6-72.5-32.1000112.2S140 Q141 L142 I146 G147 M148 Y158 S161S140-N144 WeakPolarHBondContact O-CB 3.47Å; S140-N144 VanDerWaalsContact O-CG 3.24Å; S140-N144 PolarHBondContact O-N 2.88Å; S140-N144 PolarHBondContact O-ND2 3.09Å; S140-N144 VanDerWaalsContact O-ND2 3.15Å; Q141-N144 PolarHBondContact O-N 3.44Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 3.25Å; N144-I146 PolarHBondContact O-N 3.11Å; N144-G147 PolarHBondContact O-N 3.15Å; N144-M148 WeakPolarHBondContact O-CB 3.26Å; N144-M148 WeakPolarHBondContact O-CG 3.38Å; N144-M148 PolarHBondContact O-N 3.45Å; N144-Y158 HydrophobicContact CB-CE1 4.07Å; N144-Y158 WeakPolarHBondContact OD1-CE1 3.44Å; N144-Y158 PolarHBondContact OD1-OH 3.03Å; N144-S161 PolarHBondContact ND2-O 2.98Å; N144-S161 PolarHBondContact OD1-N 3.02Å; N144-S161 VanDerWaalsContact OD1-N 3.15Å; N144-S161 PolarHBondContact OD1-O 2.74Å
145Q97.7Very high95Very high103 Ų10365.5 Ų65.548%0.48133%0.325SS..Hα-helixtrans-59.7-47.5175.6-176.45754.400111.1Q141 L142 G147 M148 D149Q141-Q145 WeakPolarHBondContact O-CB 3.26Å; Q141-Q145 PolarHBondContact O-N 2.91Å; L142-Q145 PolarHBondContact O-N 2.95Å; Q145-G147 PolarHBondContact O-N 3.49Å; Q145-M148 PolarHBondContact O-N 2.97Å; Q145-D149 VanDerWaalsContact NE2-CG 3.32Å; Q145-D149 PolarHBondContact NE2-OD1 3.01Å; Q145-D149 VanDerWaalsContact NE2-OD1 3.17Å; Q145-D149 PolarHBondContact NE2-OD2 3.31Å; Q145-D149 PolarHBondContact O-N 3.4Å
146I97.3Very high95Very high8 Ų864.6 Ų64.64%0.04132%0.318CS..Hα-helixtrans-58.2-47.6176.9-68.2165.9000110.9T106 F109 N110 L113 L142 I143 N144 M148 D149 I150T106-I146 HydrophobicContact CG2-CD1 4.16Å; F109-I146 HydrophobicContact CB-CD1 3.81Å; F109-I146 HydrophobicContact CD2-CD1 4.47Å; N110-I146 HydrophobicContact CB-CG2 4.32Å; N110-I146 WeakPolarHBondContact OD1-CG2 3.29Å; L113-I146 HydrophobicContact CB-CG2 4.3Å; L113-I146 HydrophobicContact CD1-CB 3.95Å; L113-I146 HydrophobicContact CD1-CG2 3.55Å; L142-I146 HydrophobicContact CD1-CD1 4.11Å; L142-I146 HydrophobicContact CD1-CG1 4.34Å; L142-I146 HydrophobicContact CG-CD1 4.01Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.32Å; I143-I146 PolarHBondContact O-N 3.32Å; N144-I146 PolarHBondContact O-N 3.11Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3Å; I146-D149 PolarHBondContact O-N 3.36Å; I146-I150 HydrophobicContact CG2-CD1 3.63Å; I146-I150 HydrophobicContact CG2-CG1 4.42Å; I146-I150 WeakPolarHBondContact O-CG1 3.17Å; I146-I150 PolarHBondContact O-N 3.08Å
147G97.6Very high95.2Very high0 Ų066.3 Ų66.30%032%0.32CS..Hα-helixtrans-61-42.4178.300000112.8I143 N144 Q145 D149 I150 Q151I143-G147 PolarHBondContact O-N 3.48Å; N144-G147 PolarHBondContact O-N 3.15Å; Q145-G147 PolarHBondContact O-N 3.49Å; G147-D149 VanDerWaalsContact C-N 3.28Å; G147-D149 PolarHBondContact O-N 2.91Å; G147-I150 PolarHBondContact O-N 3.3Å; G147-Q151 PolarHBondContact O-N 3.07Å
148M97Very high95.7Very high72 Ų7259.3 Ų59.336%0.35529%0.289SS..Hα-helixtrans-65.5-30.2176.2-69-67.3-69.300112.9N144 Q145 I146 Q151 Y158 P160N144-M148 WeakPolarHBondContact O-CB 3.26Å; N144-M148 WeakPolarHBondContact O-CG 3.38Å; N144-M148 PolarHBondContact O-N 3.45Å; Q145-M148 PolarHBondContact O-N 2.97Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3Å; M148-Q151 WeakPolarHBondContact O-CG 3.42Å; M148-Q151 PolarHBondContact O-NE2 2.53Å; M148-Q151 PolarHBondContact SD-NE2 3.08Å; M148-Y158 HydrophobicContact CG-CD1 3.94Å; M148-Y158 HydrophobicContact SD-CD1 3.92Å; M148-P160 HydrophobicContact SD-CG 4.03Å
149D96.8Very high95.9Very high61 Ų6158.8 Ų58.833%0.32629%0.288SS..Hα-helixtrans-76.7-39.3175-69.9-34000111.7Q145 I146 G147 Q151 K152Q145-D149 VanDerWaalsContact NE2-CG 3.32Å; Q145-D149 PolarHBondContact NE2-OD1 3.01Å; Q145-D149 VanDerWaalsContact NE2-OD1 3.17Å; Q145-D149 PolarHBondContact NE2-OD2 3.31Å; Q145-D149 PolarHBondContact O-N 3.4Å; I146-D149 PolarHBondContact O-N 3.36Å; G147-D149 VanDerWaalsContact C-N 3.28Å; G147-D149 PolarHBondContact O-N 2.91Å; D149-Q151 PolarHBondContact O-N 3.25Å; D149-K152 WeakPolarHBondContact O-CB 3.25Å; D149-K152 PolarHBondContact O-N 3.47Å; D149-K152 VanDerWaalsContact O-N 3.15Å; D149-K152 IonicContact OD1-NZ 3.35Å; D149-K152 PolarHBondContact OD1-NZ 3.37Å
150I96.8Very high96Very high9 Ų957.9 Ų57.95%0.04629%0.286CS..Hα-helixtrans-64.5-38.8176.5-72.2168.1000111.6L113 D114 A117 F128 I146 G147 K152 I153 Y154L113-I150 HydrophobicContact CB-CD1 3.44Å; L113-I150 VanDerWaalsContact CB-CD1 3.44Å; D114-I150 HydrophobicContact CB-CD1 4.3Å; A117-I150 HydrophobicContact CB-CG2 3.37Å; F128-I150 HydrophobicContact CE2-CG2 4.2Å; F128-I150 HydrophobicContact CZ-CB 4.31Å; F128-I150 HydrophobicContact CZ-CG2 3.88Å; I146-I150 HydrophobicContact CG2-CD1 3.63Å; I146-I150 HydrophobicContact CG2-CG1 4.42Å; I146-I150 WeakPolarHBondContact O-CG1 3.17Å; I146-I150 PolarHBondContact O-N 3.08Å; G147-I150 PolarHBondContact O-N 3.3Å; I150-K152 PolarHBondContact O-N 3.16Å; I150-K152 VanDerWaalsContact O-N 3.08Å; I150-I153 WeakPolarHBondContact O-CB 3.33Å; I150-I153 PolarHBondContact O-N 3.11Å; I150-Y154 HydrophobicContact CG2-CD2 3.6Å; I150-Y154 HydrophobicContact CG2-CE2 3.88Å; I150-Y154 PolarHBondContact O-N 3.27Å; I150-Y154 VanDerWaalsContact O-N 3.11Å
151Q96.1Very high96Very high46 Ų4658.1 Ų58.122%0.21529%0.288CS..THydrogen-bonded Turntrans-61.9-17.8176.4101.9-172.3-52.300113.2F128 G147 M148 D149 Y154F128-Q151 HydrophobicContact CE1-CB 4.17Å; F128-Q151 HydrophobicContact CZ-CB 4.4Å; G147-Q151 PolarHBondContact O-N 3.07Å; M148-Q151 WeakPolarHBondContact O-CG 3.42Å; M148-Q151 PolarHBondContact O-NE2 2.53Å; M148-Q151 PolarHBondContact SD-NE2 3.08Å; D149-Q151 PolarHBondContact O-N 3.25Å; Q151-Y154 CarbonylContact C-O 3.57Å
152K95.2Very high95.9Very high153 Ų15352.8 Ų52.867%0.66526%0.264SS*.THydrogen-bonded Turntrans-75.8-18.6175.3-60.4168.9-174.7163.60111.7D149 I150D149-K152 WeakPolarHBondContact O-CB 3.25Å; D149-K152 PolarHBondContact O-N 3.47Å; D149-K152 VanDerWaalsContact O-N 3.15Å; D149-K152 IonicContact OD1-NZ 3.35Å; D149-K152 PolarHBondContact OD1-NZ 3.37Å; I150-K152 PolarHBondContact O-N 3.16Å; I150-K152 VanDerWaalsContact O-N 3.08Å
153I94.5Very high95.8Very high130 Ų13051 Ų5167%0.66725%0.254SS*.THydrogen-bonded Turntrans-97.1-43.3-178.2-55.6173.6000109.8I150I150-I153 WeakPolarHBondContact O-CB 3.33Å; I150-I153 PolarHBondContact O-N 3.11Å
154Y92.7Very high95.6Very high48 Ų4853.7 Ų53.719%0.18827%0.266CS..SBendtrans-101.7140.4179.5-59.8-85.2000111.4D114 A117 K118 L121 I150 Q151 T156D114-Y154 WeakPolarHBondContact OD1-CE2 3.33Å; D114-Y154 PolarHBondContact OD1-OH 3.21Å; D114-Y154 PolarHBondContact OD2-OH 3.12Å; A117-Y154 HydrophobicContact CB-CD2 3.75Å; A117-Y154 HydrophobicContact CB-CE2 4.23Å; A117-Y154 HydrophobicContact CB-CG 4.12Å; K118-Y154 HydrophobicContact CB-CE1 4.14Å; L121-Y154 HydrophobicContact CD2-CD1 4.02Å; I150-Y154 HydrophobicContact CG2-CD2 3.6Å; I150-Y154 HydrophobicContact CG2-CE2 3.88Å; I150-Y154 PolarHBondContact O-N 3.27Å; I150-Y154 VanDerWaalsContact O-N 3.11Å; Q151-Y154 CarbonylContact C-O 3.57Å; Y154-T156 PolarHBondContact O-N 3.24Å
155N90.8Very high95.2Very high148 Ų14858.6 Ų58.679%0.79129%0.286SS*.SBendtrans-78.353.5175.6-167.247.6000112.3L121L121-N155 HydrophobicContact CD1-CB 4.28Å
156T93Very high94.8Very high7 Ų760.6 Ų60.64%0.04330%0.3CS..SBendtrans-138.1145.4173.6-179.30000108.7A117 A120 L121 F125 F128 Y154A117-T156 HydrophobicContact CB-CG2 4.17Å; A117-T156 WeakPolarHBondContact O-CG2 3.34Å; A120-T156 HydrophobicContact CB-CG2 4.4Å; L121-T156 HydrophobicContact CB-CG2 4.44Å; F125-T156 PolarHBondContact O-OG1 3.46Å; F128-T156 HydrophobicContact CD1-CG2 3.55Å; F128-T156 HydrophobicContact CE1-CG2 3.76Å; Y154-T156 PolarHBondContact O-N 3.24Å
157H96.7Very high94.6Very high110 Ų11064.5 Ų64.551%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-85.2136.8-174.1-64-58.5000111.8D126 Y127 F128D126-H157 WeakPolarHBondContact O-CB 3.3Å; D126-H157 PolarHBondContact O-N 3.29Å; Y127-H157 CarbonylContact C-O 3.53Å; Y127-H157 WeakPolarHBondContact CA-O 3.09Å; Y127-H157 HydrophobicContact CD1-CB 3.41Å; Y127-H157 VanDerWaalsContact CD1-CB 3.41Å; Y127-H157 HydrophobicContact CE1-CB 3.49Å; Y127-H157 VanDerWaalsContact CE1-CB 3.49Å; Y127-H157 HydrophobicContact CG-CB 4.3Å; F128-H157 WeakPolarHBondContact CD1-O 3.37Å; F128-H157 PolarHBondContact N-O 3.44Å
158Y97.8Very high94.5Very high5 Ų564.5 Ų64.52%0.0233%0.328CS..EExtended strand (participates in β ladder)trans-78.4144170.2-177.6-113.3000110.3L113 F128 N144 M148 P160L113-Y158 HydrophobicContact CD2-CE2 4.08Å; F128-Y158 AromaticContact CD2-CD2 3.96Å; F128-Y158 HydrophobicContact CD2-CD2 3.96Å; F128-Y158 HydrophobicContact CE1-CD2 4.27Å; F128-Y158 AromaticContact CE2-CD2 3.53Å; F128-Y158 HydrophobicContact CE2-CD2 3.53Å; F128-Y158 HydrophobicContact CE2-CE2 4.24Å; F128-Y158 HydrophobicContact CE2-CG 4.46Å; F128-Y158 HydrophobicContact CG-CD2 4.5Å; F128-Y158 AromaticContact CZ-CD2 3.7Å; F128-Y158 HydrophobicContact CZ-CD2 3.7Å; F128-Y158 HydrophobicContact CZ-CG 4.2Å; F128-Y158 CarbonylContact O-C 3.51Å; F128-Y158 WeakPolarHBondContact O-CA 3.04Å; F128-Y158 WeakPolarHBondContact O-CD2 3.34Å; N144-Y158 HydrophobicContact CB-CE1 4.07Å; N144-Y158 WeakPolarHBondContact OD1-CE1 3.44Å; N144-Y158 PolarHBondContact OD1-OH 3.03Å; M148-Y158 HydrophobicContact CG-CD1 3.94Å; M148-Y158 HydrophobicContact SD-CD1 3.92Å; Y158-P160 HydrophobicContact CD1-CG 4.07Å; Y158-P160 HydrophobicContact CE1-CB 4.31Å; Y158-P160 HydrophobicContact CE1-CG 4.33Å; Y158-P160 VanDerWaalsContact O-CD 3.26Å; Y158-P160 WeakPolarHBondContact O-CD 3.47Å
159L97.2Very high94.4Very high13 Ų1365 Ų657%0.06833%0.327CS..  trans-100.497.8170.8177.464.1000110M1 W5 I14 I16 L31 F128 S161M1-L159 HydrophobicContact CE-CD1 3.24Å; M1-L159 HydrophobicContact SD-CD1 4.45Å; W5-L159 HydrophobicContact CH2-CD1 4.02Å; I14-L159 HydrophobicContact CD1-CD2 4.08Å; I14-L159 HydrophobicContact CG2-CD2 3.85Å; I16-L159 HydrophobicContact CD1-CD2 4.13Å; L31-L159 HydrophobicContact CD1-CD2 4.36Å; L31-L159 HydrophobicContact CD2-CD2 4.16Å; F128-L159 PolarHBondContact O-N 3.27Å; L159-S161 PolarHBondContact O-N 3.28Å
160P95.9Very high94.4Very high62 Ų6266.5 Ų66.540%0.40333%0.331SS..  trans-63.6129.4174.4-18.532000110.3M148 Y158M148-P160 HydrophobicContact SD-CG 4.03Å; Y158-P160 HydrophobicContact CD1-CG 4.07Å; Y158-P160 HydrophobicContact CE1-CB 4.31Å; Y158-P160 HydrophobicContact CE1-CG 4.33Å; Y158-P160 VanDerWaalsContact O-CD 3.26Å; Y158-P160 WeakPolarHBondContact O-CD 3.47Å
161S94.7Very high94.4Very high13 Ų1369 Ų699%0.09134%0.34CS..  trans-144.9153.3-176.856.10000112.3T133 N144 L159 F163T133-S161 WeakPolarHBondContact CG2-O 3.27Å; T133-S161 PolarHBondContact OG1-OG 3.32Å; N144-S161 PolarHBondContact ND2-O 2.98Å; N144-S161 PolarHBondContact OD1-N 3.02Å; N144-S161 VanDerWaalsContact OD1-N 3.15Å; N144-S161 PolarHBondContact OD1-O 2.74Å; L159-S161 PolarHBondContact O-N 3.28Å; S161-F163 VanDerWaalsContact CB-CE2 3.44Å; S161-F163 VanDerWaalsContact OG-CE2 3.25Å; S161-F163 WeakPolarHBondContact OG-CE2 3.42Å
162D94.9Very high94.4Very high41 Ų4166.9 Ų66.922%0.21933%0.331CS..  trans-140.574.1167.9-163.210.1000109.6S140 K164 K165S140-D162 VanDerWaalsContact CB-OD1 3.22Å; S140-D162 WeakPolarHBondContact CB-OD1 3.34Å; S140-D162 VanDerWaalsContact OG-CG 3.28Å; S140-D162 PolarHBondContact OG-OD1 2.86Å; S140-D162 PolarHBondContact OG-OD2 3.19Å; D162-K164 PolarHBondContact O-N 3.33Å; D162-K164 VanDerWaalsContact OD1-CE 3.25Å; D162-K164 WeakPolarHBondContact OD1-CE 3.38Å; D162-K164 WeakPolarHBondContact OD1-CG 3.21Å; D162-K164 IonicContact OD1-NZ 2.74Å; D162-K164 PolarHBondContact OD1-NZ 3.44Å; D162-K164 IonicContact OD2-NZ 2.74Å; D162-K165 HydrophobicContact CB-CD 4.14Å; D162-K165 HydrophobicContact CB-CG 4.24Å; D162-K165 WeakPolarHBondContact O-CB 3.49Å; D162-K165 PolarHBondContact O-N 3.36Å; D162-K165 VanDerWaalsContact OD2-CE 3.22Å; D162-K165 WeakPolarHBondContact OD2-CE 3.19Å
163F94.4Very high94.5Very high11 Ų1161.5 Ų61.55%0.04831%0.309CS..THydrogen-bonded Turntrans-65.7-7.9-170.5-63-59.2000114.4Y26 T27 F30 L31 T133 I134 S161 K165 G168Y26-F163 HydrophobicContact CD1-CB 4.39Å; Y26-F163 WeakPolarHBondContact CD1-O 3.4Å; Y26-F163 WeakPolarHBondContact CE1-O 3.33Å; T27-F163 HydrophobicContact CG2-CD1 4.44Å; T27-F163 HydrophobicContact CG2-CD2 3.93Å; T27-F163 HydrophobicContact CG2-CE1 4.11Å; T27-F163 HydrophobicContact CG2-CE2 3.58Å; T27-F163 HydrophobicContact CG2-CG 4.38Å; T27-F163 HydrophobicContact CG2-CZ 3.69Å; F30-F163 HydrophobicContact CD1-CE1 4.16Å; L31-F163 HydrophobicContact CD1-CE1 4.33Å; L31-F163 HydrophobicContact CD1-CZ 3.92Å; L31-F163 HydrophobicContact CD2-CE1 4.33Å; L31-F163 HydrophobicContact CD2-CZ 4.47Å; L31-F163 HydrophobicContact CG-CE1 4.22Å; L31-F163 HydrophobicContact CG-CZ 4.3Å; T133-F163 WeakPolarHBondContact OG1-CD2 3.1Å; T133-F163 PolarHBondContact OG1-N 3.18Å; I134-F163 HydrophobicContact CB-CB 3.83Å; I134-F163 HydrophobicContact CD1-CB 4.47Å; I134-F163 HydrophobicContact CG1-CB 4.03Å; S161-F163 VanDerWaalsContact CB-CE2 3.44Å; S161-F163 VanDerWaalsContact OG-CE2 3.25Å; S161-F163 WeakPolarHBondContact OG-CE2 3.42Å; F163-K165 VanDerWaalsContact C-N 3.35Å; F163-G168 WeakPolarHBondContact O-CA 3.25Å
164K92.1Very high94.6Very high57 Ų5758.7 Ų58.725%0.24829%0.293CS..THydrogen-bonded Turntrans-76.9-19.4171.459.3175.4166.3-72.30113.7T133 S140 D162T133-K164 PolarHBondContact O-NZ 3.06Å; S140-K164 PolarHBondContact OG-NZ 3.21Å; D162-K164 PolarHBondContact O-N 3.33Å; D162-K164 VanDerWaalsContact OD1-CE 3.25Å; D162-K164 WeakPolarHBondContact OD1-CE 3.38Å; D162-K164 WeakPolarHBondContact OD1-CG 3.21Å; D162-K164 IonicContact OD1-NZ 2.74Å; D162-K164 PolarHBondContact OD1-NZ 3.44Å; D162-K164 IonicContact OD2-NZ 2.74Å
165K89.8Confident94.9Very high134 Ų13456.5 Ų56.558%0.58328%0.284SS*.THydrogen-bonded Turntrans-68165.8176.9-69-174175.2178.30110.8D162 F163 S167 G168D162-K165 HydrophobicContact CB-CD 4.14Å; D162-K165 HydrophobicContact CB-CG 4.24Å; D162-K165 WeakPolarHBondContact O-CB 3.49Å; D162-K165 PolarHBondContact O-N 3.36Å; D162-K165 VanDerWaalsContact OD2-CE 3.22Å; D162-K165 WeakPolarHBondContact OD2-CE 3.19Å; F163-K165 VanDerWaalsContact C-N 3.35Å; K165-S167 PolarHBondContact O-N 2.85Å; K165-G168 PolarHBondContact O-N 2.89Å
166N90.4Very high95.2Very high145 Ų14549.7 Ų49.778%0.77525%0.248SC*.THydrogen-bonded Turntrans53.138.5-179.3-55.4-23.6000112.8G168N166-G168 PolarHBondContact O-N 3.27Å; N166-G168 VanDerWaalsContact O-N 3.15Å
167S92.9Very high95.4Very high90 Ų9057.2 Ų57.263%0.62928%0.28SS*.THydrogen-bonded Turntrans61.616.8-177.7-55.10000115.2K165 Y169 Q170 R171K165-S167 PolarHBondContact O-N 2.85Å; S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 3.07Å; S167-Q170 WeakPolarHBondContact O-CA 3.17Å; S167-Q170 WeakPolarHBondContact O-CB 3.22Å; S167-Q170 PolarHBondContact O-N 3.33Å; S167-R171 PolarHBondContact O-N 3.19Å
168G94.5Very high95.4Very high0 Ų057.3 Ų57.30%028%0.281CS..Hα-helixtrans-60.3-31.8-177.300000114.5Y26 F163 K165 N166 R171 S172Y26-G168 WeakPolarHBondContact CB-O 3.23Å; F163-G168 WeakPolarHBondContact O-CA 3.25Å; K165-G168 PolarHBondContact O-N 2.89Å; N166-G168 PolarHBondContact O-N 3.27Å; N166-G168 VanDerWaalsContact O-N 3.15Å; G168-R171 PolarHBondContact O-N 3.2Å; G168-S172 WeakPolarHBondContact O-CB 2.9Å; G168-S172 PolarHBondContact O-N 3.45Å
169Y94.8Very high95.4Very high82 Ų8259 Ų5932%0.32229%0.288SS..Hα-helixtrans-67.9-38.6172.5179-112.3000112.7I134 P136 S167 S172 I173I134-Y169 WeakPolarHBondContact O-CD2 3.46Å; P136-Y169 VanDerWaalsContact CD-CD2 3.42Å; P136-Y169 VanDerWaalsContact CD-CE2 3.4Å; P136-Y169 HydrophobicContact CG-CD1 4.04Å; P136-Y169 HydrophobicContact CG-CD2 4.24Å; P136-Y169 HydrophobicContact CG-CE1 3.81Å; P136-Y169 HydrophobicContact CG-CE2 4.02Å; P136-Y169 HydrophobicContact CG-CG 4.24Å; S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 3.07Å; Y169-S172 WeakPolarHBondContact O-CB 3.22Å; Y169-S172 PolarHBondContact O-N 2.86Å; Y169-I173 HydrophobicContact CD1-CD1 4.17Å; Y169-I173 HydrophobicContact CE1-CD1 3.63Å; Y169-I173 HydrophobicContact CE1-CG1 4.45Å; Y169-I173 PolarHBondContact O-N 3.37Å
170Q96.5Very high95.4Very high92 Ų9264.9 Ų64.943%0.4332%0.319SS..Hα-helixtrans-66.9-43.6176.5178.954.641.600110.2S167 S172 I173 E174S167-Q170 WeakPolarHBondContact O-CA 3.17Å; S167-Q170 WeakPolarHBondContact O-CB 3.22Å; S167-Q170 PolarHBondContact O-N 3.33Å; Q170-S172 VanDerWaalsContact C-N 3.29Å; Q170-S172 PolarHBondContact O-N 3.36Å; Q170-I173 WeakPolarHBondContact O-CB 3.21Å; Q170-I173 PolarHBondContact O-N 3.38Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.26Å; Q170-E174 PolarHBondContact NE2-OE1 2.95Å; Q170-E174 PolarHBondContact O-N 3.15Å; Q170-E174 VanDerWaalsContact O-N 3.11Å
171R97Very high95.5Very high62 Ų6262.4 Ų62.423%0.23430%0.303CS..Hα-helixtrans-60.1-38.2173.6-173.460.2-173.31439.4112.3Y26 E29 S167 G168 I173 E174 M175 E178Y26-R171 HydrophobicContact CD2-CB 3.89Å; Y26-R171 HydrophobicContact CD2-CG 3.69Å; Y26-R171 HydrophobicContact CE2-CG 4.46Å; Y26-R171 HydrophobicContact CG-CB 4.32Å; Y26-R171 HydrophobicContact CG-CG 4.4Å; E29-R171 IonicContact OE1-CZ 2.77Å; E29-R171 IonicContact OE1-NE 3.74Å; E29-R171 PolarHBondContact OE1-NE 2.99Å; E29-R171 VanDerWaalsContact OE1-NE 3.07Å; E29-R171 IonicContact OE1-NH2 3.94Å; E29-R171 PolarHBondContact OE1-NH2 3.34Å; E29-R171 WeakPolarHBondContact OE2-CG 3.42Å; E29-R171 IonicContact OE2-NE 3.54Å; E29-R171 PolarHBondContact OE2-NE 3.43Å; S167-R171 PolarHBondContact O-N 3.19Å; G168-R171 PolarHBondContact O-N 3.2Å; R171-I173 VanDerWaalsContact C-N 3.29Å; R171-I173 PolarHBondContact O-N 2.98Å; R171-E174 IonicContact NH1-OE2 2.83Å; R171-E174 PolarHBondContact O-N 2.87Å; R171-M175 HydrophobicContact CG-CG 4.39Å; R171-M175 HydrophobicContact CG-SD 4.35Å; R171-M175 WeakPolarHBondContact O-CB 3.45Å; R171-M175 WeakPolarHBondContact O-CG 3.41Å; R171-M175 PolarHBondContact O-N 3.46Å; R171-E178 IonicContact CZ-OE1 2.78Å; R171-E178 IonicContact CZ-OE2 3.11Å; R171-E178 IonicContact NH1-OE1 3.85Å; R171-E178 PolarHBondContact NH1-OE1 2.85Å; R171-E178 IonicContact NH1-OE2 3.82Å; R171-E178 IonicContact NH2-OE1 2.81Å; R171-E178 IonicContact NH2-OE2 2.64Å; R171-E178 PolarHBondContact NH2-OE2 2.99Å; R171-E178 VanDerWaalsContact NH2-OE2 3.17Å
172S96.5Very high95.6Very high2 Ų264.5 Ų64.51%0.01431%0.309CS..Hα-helixtrans-58.8-37.8171.61690000113.2P22 T25 G168 Y169 Q170 C176 R183P22-S172 PolarHBondContact O-OG 2.99Å; T25-S172 WeakPolarHBondContact OG1-CA 3.42Å; T25-S172 WeakPolarHBondContact OG1-CB 3.32Å; T25-S172 PolarHBondContact OG1-OG 3.31Å; G168-S172 WeakPolarHBondContact O-CB 2.9Å; G168-S172 PolarHBondContact O-N 3.45Å; Y169-S172 WeakPolarHBondContact O-CB 3.22Å; Y169-S172 PolarHBondContact O-N 2.86Å; Q170-S172 VanDerWaalsContact C-N 3.29Å; Q170-S172 PolarHBondContact O-N 3.36Å; S172-C176 WeakPolarHBondContact O-CB 3.43Å; S172-C176 PolarHBondContact O-N 3.49Å; S172-C176 PolarHBondContact O-SG 2.93Å; S172-R183 PolarHBondContact O-NH1 3.17Å; S172-R183 PolarHBondContact OG-NH1 2.93Å
173I96.5Very high95.6Very high39 Ų3966.9 Ų66.920%0.232%0.315CS..Hα-helixtrans-67.5-42.9176.9-66.9166.6000110.5Y169 Q170 R171 C176 K177Y169-I173 HydrophobicContact CD1-CD1 4.17Å; Y169-I173 HydrophobicContact CE1-CD1 3.63Å; Y169-I173 HydrophobicContact CE1-CG1 4.45Å; Y169-I173 PolarHBondContact O-N 3.37Å; Q170-I173 WeakPolarHBondContact O-CB 3.21Å; Q170-I173 PolarHBondContact O-N 3.38Å; R171-I173 VanDerWaalsContact C-N 3.29Å; R171-I173 PolarHBondContact O-N 2.98Å; I173-C176 PolarHBondContact O-N 3.27Å; I173-K177 PolarHBondContact O-N 3.3Å
174E97.8Very high95.6Very high72 Ų7268.4 Ų68.434%0.33632%0.323SS..Hα-helixtrans-62.1-51.6177-70.4156.4-160.500111.1Q170 R171 C176 K177 E178Q170-E174 WeakPolarHBondContact CG-OE1 3.26Å; Q170-E174 PolarHBondContact NE2-OE1 2.95Å; Q170-E174 PolarHBondContact O-N 3.15Å; Q170-E174 VanDerWaalsContact O-N 3.11Å; R171-E174 IonicContact NH1-OE2 2.83Å; R171-E174 PolarHBondContact O-N 2.87Å; E174-C176 PolarHBondContact O-N 3.33Å; E174-K177 WeakPolarHBondContact O-CA 3.37Å; E174-K177 WeakPolarHBondContact O-CB 3.45Å; E174-K177 PolarHBondContact O-N 3.04Å; E174-E178 WeakPolarHBondContact O-CG 3.16Å; E174-E178 PolarHBondContact O-N 3.08Å
175M98Very high95.6Very high1 Ų169 Ų691%0.00533%0.333CS..Hα-helixtrans-58.5-36.6176.6-70.6-176.479.400112.2T25 E29 F62 F66 R171 K177 E178 Y179T25-M175 VanDerWaalsContact C-SD 3.54Å; T25-M175 HydrophobicContact CG2-CB 4.07Å; E29-M175 HydrophobicContact CB-CE 4.03Å; E29-M175 HydrophobicContact CB-SD 4.03Å; F62-M175 HydrophobicContact CE2-CE 4.33Å; F62-M175 HydrophobicContact CZ-CE 4.17Å; F66-M175 HydrophobicContact CD2-CE 4.15Å; F66-M175 HydrophobicContact CE2-CE 4.14Å; R171-M175 HydrophobicContact CG-CG 4.39Å; R171-M175 HydrophobicContact CG-SD 4.35Å; R171-M175 WeakPolarHBondContact O-CB 3.45Å; R171-M175 WeakPolarHBondContact O-CG 3.41Å; R171-M175 PolarHBondContact O-N 3.46Å; M175-K177 PolarHBondContact O-N 3.46Å; M175-E178 PolarHBondContact O-N 3.44Å; M175-Y179 HydrophobicContact CB-CD2 4.36Å; M175-Y179 HydrophobicContact CE-CD2 4.46Å; M175-Y179 HydrophobicContact CE-CE2 3.98Å; M175-Y179 WeakPolarHBondContact O-CB 3.18Å; M175-Y179 WeakPolarHBondContact O-CD2 3.41Å; M175-Y179 PolarHBondContact O-N 3.44Å
176C97.6Very high95.8Very high6 Ų663 Ų634%0.04131%0.307CS..Hα-helixtrans-64-29.2175.6-710000112.9S172 I173 E174 D180 V181 R183S172-C176 WeakPolarHBondContact O-CB 3.43Å; S172-C176 PolarHBondContact O-N 3.49Å; S172-C176 PolarHBondContact O-SG 2.93Å; I173-C176 PolarHBondContact O-N 3.27Å; E174-C176 PolarHBondContact O-N 3.33Å; C176-D180 WeakPolarHBondContact O-CA 3.29Å; C176-D180 PolarHBondContact O-N 2.93Å; C176-V181 HydrophobicContact CB-CB 4.01Å; C176-V181 PolarHBondContact O-N 3.45Å; C176-R183 HydrophobicContact CB-CG 4.05Å; C176-R183 PolarHBondContact SG-NH1 2.74Å
177K97.6Very high95.9Very high164 Ų16457.2 Ų57.271%0.71328%0.278SS*.Hα-helixtrans-78.1-42.3173.2-63.3173.8-177.7178.60111.1I173 E174 M175 Y179 D180I173-K177 PolarHBondContact O-N 3.3Å; E174-K177 WeakPolarHBondContact O-CA 3.37Å; E174-K177 WeakPolarHBondContact O-CB 3.45Å; E174-K177 PolarHBondContact O-N 3.04Å; M175-K177 PolarHBondContact O-N 3.46Å; K177-Y179 VanDerWaalsContact C-N 3.35Å; K177-Y179 PolarHBondContact O-N 3.32Å; K177-D180 PolarHBondContact O-N 3.49Å
178E97.5Very high95.9Very high112 Ų11253 Ų5352%0.52325%0.248SC..Hα-helixtrans-60.5-42.4-179.9-69.3167.4-16300112.1R171 E174 M175R171-E178 IonicContact CZ-OE1 2.78Å; R171-E178 IonicContact CZ-OE2 3.11Å; R171-E178 IonicContact NH1-OE1 3.85Å; R171-E178 PolarHBondContact NH1-OE1 2.85Å; R171-E178 IonicContact NH1-OE2 3.82Å; R171-E178 IonicContact NH2-OE1 2.81Å; R171-E178 IonicContact NH2-OE2 2.64Å; R171-E178 PolarHBondContact NH2-OE2 2.99Å; R171-E178 VanDerWaalsContact NH2-OE2 3.17Å; E174-E178 WeakPolarHBondContact O-CG 3.16Å; E174-E178 PolarHBondContact O-N 3.08Å; M175-E178 PolarHBondContact O-N 3.44Å
179Y97.6Very high95.8Very high42 Ų4253.1 Ų53.117%0.16525%0.249CC..THydrogen-bonded Turntrans-100.57.5-176.2-70.2-87.5000114.1F62 D65 F66 A69 M175 K177 V181F62-Y179 HydrophobicContact CD2-CD1 4.34Å; F62-Y179 HydrophobicContact CD2-CG 4.07Å; F62-Y179 HydrophobicContact CE2-CD1 4.36Å; F62-Y179 HydrophobicContact CE2-CD2 4.07Å; F62-Y179 HydrophobicContact CE2-CE2 4.49Å; F62-Y179 AromaticContact CE2-CG 4Å; F62-Y179 HydrophobicContact CE2-CG 4Å; D65-Y179 HydrophobicContact CB-CD1 3.8Å; D65-Y179 HydrophobicContact CB-CE1 4.18Å; F66-Y179 HydrophobicContact CB-CE1 4.46Å; A69-Y179 HydrophobicContact CB-CE1 4.21Å; M175-Y179 HydrophobicContact CB-CD2 4.36Å; M175-Y179 HydrophobicContact CE-CD2 4.46Å; M175-Y179 HydrophobicContact CE-CE2 3.98Å; M175-Y179 WeakPolarHBondContact O-CB 3.18Å; M175-Y179 WeakPolarHBondContact O-CD2 3.41Å; M175-Y179 PolarHBondContact O-N 3.44Å; K177-Y179 VanDerWaalsContact C-N 3.35Å; K177-Y179 PolarHBondContact O-N 3.32Å; Y179-V181 PolarHBondContact O-N 3.18Å
180D96.7Very high95.7Very high135 Ų13551.3 Ų51.372%0.72225%0.246SC*.THydrogen-bonded Turntrans50.651.9-176-169.334.4000113.2C176 K177C176-D180 WeakPolarHBondContact O-CA 3.29Å; C176-D180 PolarHBondContact O-N 2.93Å; K177-D180 PolarHBondContact O-N 3.49Å
181V97.5Very high95.5Very high11 Ų1149 Ų497%0.06724%0.235CC..  trans-89.3121.7-177.2179.40000110.4A21 P22 V58 F62 C176 Y179 R183A21-V181 HydrophobicContact CB-CG1 3.45Å; A21-V181 VanDerWaalsContact CB-CG1 3.45Å; P22-V181 HydrophobicContact CG-CG1 3.83Å; V58-V181 HydrophobicContact CG1-CG1 3.92Å; F62-V181 HydrophobicContact CB-CG2 4.27Å; F62-V181 HydrophobicContact CD2-CG2 3.85Å; F62-V181 HydrophobicContact CG-CG2 4.2Å; C176-V181 HydrophobicContact CB-CB 4.01Å; C176-V181 PolarHBondContact O-N 3.45Å; Y179-V181 PolarHBondContact O-N 3.18Å; V181-R183 PolarHBondContact O-N 2.95Å
182Y96.8Very high95.2Very high57 Ų5746.1 Ų46.122%0.22422%0.224CC..  trans-55.4124.5171.4171.2-112.8000111.9P22 R54 Q184P22-Y182 WeakPolarHBondContact CG-O 3.34Å; R54-Y182 HydrophobicContact CG-CD1 4.34Å; R54-Y182 PolarHBondContact NH2-OH 2.95Å; Y182-Q184 HydrophobicContact CE1-CB 3.91Å; Y182-Q184 WeakPolarHBondContact OH-CA 3.35Å
183R95.3Very high95.1Very high91 Ų9146 Ų4634%0.34322%0.224SC..  trans-109.9110.8174.2-65.2-175.774.298.1-6.2111P22 S172 C176 V181P22-R183 HydrophobicContact CB-CG 4.43Å; P22-R183 HydrophobicContact CG-CG 3.9Å; S172-R183 PolarHBondContact O-NH1 3.17Å; S172-R183 PolarHBondContact OG-NH1 2.93Å; C176-R183 HydrophobicContact CB-CG 4.05Å; C176-R183 PolarHBondContact SG-NH1 2.74Å; V181-R183 PolarHBondContact O-N 2.95Å
184Q94.2Very high94.8Very high43 Ų4352.8 Ų52.820%0.20125%0.251CS..  trans-68.1152.5175.964.8-76.8-6.100113.9C20 Y182 Y186C20-Q184 PolarHBondContact SG-NE2 2.84Å; Y182-Q184 HydrophobicContact CE1-CB 3.91Å; Y182-Q184 WeakPolarHBondContact OH-CA 3.35Å; Q184-Y186 WeakPolarHBondContact CG-O 3.4Å
185C91.6Very high94.3Very high69 Ų6954 Ų5447%0.46626%0.257SS..SBendtrans-81.2-13.4176.9560000114.6Q196 C198C185-Q196 PolarHBondContact O-OE1 3.23Å; C185-Q196 VanDerWaalsContact O-OE1 3.13Å; C185-C198 VanDerWaalsContact SG-SG 3.6Å
186Y93.8Very high94Very high8 Ų857.1 Ų57.13%0.03127%0.272CS..SBendtrans-146.8164.1-172.374-58.7000111.8H47 E51 R55 Q184 G188 A193 Q196 L200 I203H47-Y186 PolarHBondContact O-OH 3.09Å; E51-Y186 HydrophobicContact CG-CE1 4.46Å; E51-Y186 WeakPolarHBondContact CG-OH 3.41Å; R55-Y186 PolarHBondContact NH2-O 3.24Å; R55-Y186 VanDerWaalsContact NH2-O 3.16Å; Q184-Y186 WeakPolarHBondContact CG-O 3.4Å; Y186-G188 WeakPolarHBondContact CE2-O 3.43Å; Y186-G188 PolarHBondContact O-N 3.42Å; Y186-G188 VanDerWaalsContact O-N 3.08Å; Y186-A193 HydrophobicContact CD2-CB 3.61Å; Y186-A193 HydrophobicContact CE2-CB 3.91Å; Y186-A193 HydrophobicContact CG-CB 4.23Å; Y186-Q196 VanDerWaalsContact CB-OE1 3.24Å; Y186-L200 HydrophobicContact CE2-CD2 4.25Å; Y186-I203 HydrophobicContact CD1-CD1 4.23Å; Y186-I203 HydrophobicContact CE1-CD1 3.85Å; Y186-I203 HydrophobicContact CE1-CG2 4.29Å
187C92.8Very high93.8Very high24 Ų2460.1 Ų60.116%0.16230%0.304CS..  trans-72.4-1.1-175.967.90000115.4N43 R55N43-C187 PolarHBondContact ND2-O 3.13Å; R55-C187 PolarHBondContact NH1-O 3.04Å
188G93.3Very high93.6Very high0 Ų053.4 Ų53.40%028%0.277CS..SBendtrans103-24.5-173.100000113N45 I46 H47 Y186 V190N45-G188 CarbonylContact O-C 3.52Å; N45-G188 VanDerWaalsContact O-C 3.29Å; I46-G188 CarbonylContact C-O 3.29Å; I46-G188 WeakPolarHBondContact CA-O 3.35Å; H47-G188 PolarHBondContact N-O 2.87Å; Y186-G188 WeakPolarHBondContact CE2-O 3.43Å; Y186-G188 PolarHBondContact O-N 3.42Å; Y186-G188 VanDerWaalsContact O-N 3.08Å; G188-V190 PolarHBondContact O-N 3.16Å
189C93.4Very high93.5Very high4 Ų451.8 Ų51.83%0.02727%0.272CS..  trans-70.3126.7-177.7-170.50000113N45 F191 A192 A193N45-C189 WeakPolarHBondContact ND2-CB 3.4Å; N45-C189 PolarHBondContact ND2-SG 2.94Å; N45-C189 WeakPolarHBondContact OD1-CA 3.26Å; N45-C189 WeakPolarHBondContact OD1-CB 3.15Å; N45-C189 PolarHBondContact OD1-SG 2.98Å; C189-F191 PolarHBondContact O-N 3.42Å; C189-A192 HydrophobicContact CB-CB 3.86Å; C189-A192 PolarHBondContact O-N 2.64Å; C189-A192 VanDerWaalsContact O-N 3.12Å; C189-A193 PolarHBondContact O-N 2.82Å
190V92.1Very high93.4Very high44 Ų4451.8 Ų51.827%0.26728%0.275SS..Hα-helixtrans-56.3-38175.466.10000112.5H47 G188 A193 K194 L200H47-V190 HydrophobicContact CB-CB 4.2Å; G188-V190 PolarHBondContact O-N 3.16Å; V190-A193 PolarHBondContact O-N 3.26Å; V190-K194 PolarHBondContact O-N 3.28Å; V190-L200 HydrophobicContact CG2-CD1 3.91Å
191F91.3Very high93.3Very high43 Ų4353.8 Ų53.819%0.18928%0.277CS..Hα-helixtrans-69.8-38.5179.3-51.9-66.1000112F86 I96 R104 C189 Q195F86-F191 HydrophobicContact CE1-CE2 4.41Å; I96-F191 HydrophobicContact CB-CE1 4.42Å; I96-F191 HydrophobicContact CB-CZ 4.48Å; I96-F191 HydrophobicContact CG1-CE1 4.29Å; I96-F191 HydrophobicContact CG1-CZ 3.92Å; I96-F191 HydrophobicContact CG2-CD1 4.12Å; I96-F191 HydrophobicContact CG2-CE1 3.62Å; I96-F191 HydrophobicContact CG2-CZ 4.13Å; R104-F191 VanDerWaalsContact NH1-CB 3.28Å; C189-F191 PolarHBondContact O-N 3.42Å; F191-Q195 WeakPolarHBondContact O-CG 3.35Å; F191-Q195 PolarHBondContact O-N 3.01Å
192A91.9Very high93.3Very high2 Ų257.4 Ų57.42%0.01730%0.295CS..Hα-helixtrans-68.4-42.617400000111.1E100 C189 K194 Q195 Q196E100-A192 HydrophobicContact CG-CB 4.36Å; C189-A192 HydrophobicContact CB-CB 3.86Å; C189-A192 PolarHBondContact O-N 2.64Å; C189-A192 VanDerWaalsContact O-N 3.12Å; A192-K194 VanDerWaalsContact C-N 3.3Å; A192-K194 PolarHBondContact O-N 3.09Å; A192-Q195 PolarHBondContact O-N 3.08Å; A192-Q196 WeakPolarHBondContact O-CB 3.42Å; A192-Q196 VanDerWaalsContact O-CG 3.29Å; A192-Q196 WeakPolarHBondContact O-CG 3.33Å; A192-Q196 PolarHBondContact O-N 3.08Å
193A92.9Very high93.3Very high0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-55.5-46.3176.300000111.6Y186 C189 V190 Q196 G197 C198 L200Y186-A193 HydrophobicContact CD2-CB 3.61Å; Y186-A193 HydrophobicContact CE2-CB 3.91Å; Y186-A193 HydrophobicContact CG-CB 4.23Å; C189-A193 PolarHBondContact O-N 2.82Å; V190-A193 PolarHBondContact O-N 3.26Å; A193-Q196 PolarHBondContact O-N 3.12Å; A193-G197 PolarHBondContact O-N 3.48Å; A193-G197 VanDerWaalsContact O-N 3.09Å; A193-C198 HydrophobicContact CB-CB 4.04Å; A193-C198 PolarHBondContact O-N 3.45Å; A193-L200 HydrophobicContact CB-CD1 4.22Å; A193-L200 HydrophobicContact CB-CD2 3.77Å; A193-L200 HydrophobicContact CB-CG 4.12Å
194K90.7Very high93.4Very high180 Ų18053.1 Ų53.178%0.78328%0.283SS*.Hα-helixtrans-62.8-43.1177.8-171.6177.4-179.5-178.80112.1V190 A192 Q196 G197V190-K194 PolarHBondContact O-N 3.28Å; A192-K194 VanDerWaalsContact C-N 3.3Å; A192-K194 PolarHBondContact O-N 3.09Å; K194-Q196 VanDerWaalsContact C-N 3.33Å; K194-G197 PolarHBondContact O-N 2.94Å
195Q88.2Confident93.5Very high98 Ų9859 Ų5946%0.45831%0.308SS..Hα-helixtrans-67.1-33.4178-72.1175.14.300112.5E98 F191 A192 G197E98-Q195 PolarHBondContact O-NE2 3.35Å; F191-Q195 WeakPolarHBondContact O-CG 3.35Å; F191-Q195 PolarHBondContact O-N 3.01Å; A192-Q195 PolarHBondContact O-N 3.08Å; Q195-G197 VanDerWaalsContact C-N 3.35Å
196Q91.1Very high93.8Very high66 Ų6660.3 Ų60.331%0.30831%0.307SS..THydrogen-bonded Turntrans-85.6-3.8179.4-67.9176.2-1.800113.8E100 C185 Y186 A192 A193 K194 C198E100-Q196 VanDerWaalsContact CD-NE2 3.26Å; E100-Q196 PolarHBondContact OE1-NE2 3.45Å; E100-Q196 VanDerWaalsContact OE1-NE2 3.16Å; E100-Q196 PolarHBondContact OE2-NE2 3.34Å; C185-Q196 PolarHBondContact O-OE1 3.23Å; C185-Q196 VanDerWaalsContact O-OE1 3.13Å; Y186-Q196 VanDerWaalsContact CB-OE1 3.24Å; A192-Q196 WeakPolarHBondContact O-CB 3.42Å; A192-Q196 VanDerWaalsContact O-CG 3.29Å; A192-Q196 WeakPolarHBondContact O-CG 3.33Å; A192-Q196 PolarHBondContact O-N 3.08Å; A193-Q196 PolarHBondContact O-N 3.12Å; K194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-C198 VanDerWaalsContact C-N 3.32Å; Q196-C198 PolarHBondContact O-N 3.43Å
197G92.9Very high94Very high69 Ų6960 Ų6071%0.71131%0.306SS*.THydrogen-bonded Turntrans69.925.7-17700000114A193 K194 Q195A193-G197 PolarHBondContact O-N 3.48Å; A193-G197 VanDerWaalsContact O-N 3.09Å; K194-G197 PolarHBondContact O-N 2.94Å; Q195-G197 VanDerWaalsContact C-N 3.35Å
198C93.7Very high94.2Very high24 Ų2464.7 Ų64.716%0.16232%0.323CS..  trans-70.3132.1177.4-57.70000111.2C185 A193 Q196 L200 I203C185-C198 VanDerWaalsContact SG-SG 3.6Å; A193-C198 HydrophobicContact CB-CB 4.04Å; A193-C198 PolarHBondContact O-N 3.45Å; Q196-C198 VanDerWaalsContact C-N 3.32Å; Q196-C198 PolarHBondContact O-N 3.43Å; C198-L200 PolarHBondContact O-N 2.95Å; C198-L200 VanDerWaalsContact O-N 3.09Å; C198-I203 HydrophobicContact CB-CD1 3.98Å
199D95.4Very high94.5Very high77 Ų7767.5 Ų67.541%0.41235%0.347SS..  trans-79.494.4174.2-169.4-27000110.8K201 I202 I203D199-K201 PolarHBondContact O-N 3.2Å; D199-K201 WeakPolarHBondContact OD1-CA 3.47Å; D199-K201 VanDerWaalsContact OD1-CB 3.27Å; D199-K201 WeakPolarHBondContact OD1-CB 3.27Å; D199-K201 PolarHBondContact OD1-N 2.84Å; D199-I202 HydrophobicContact CB-CB 4.12Å; D199-I202 HydrophobicContact CB-CD1 3.96Å; D199-I202 HydrophobicContact CB-CG1 4.12Å; D199-I202 PolarHBondContact O-N 3.31Å; D199-I202 PolarHBondContact OD1-N 3.21Å; D199-I202 VanDerWaalsContact OD1-N 3.11Å; D199-I202 WeakPolarHBondContact OD2-CD1 3.21Å; D199-I202 WeakPolarHBondContact OD2-CG1 3.4Å; D199-I203 WeakPolarHBondContact O-CG1 3.46Å; D199-I203 PolarHBondContact O-N 2.86Å
200L95Very high94.7Very high43 Ų4369.6 Ų69.623%0.22536%0.356CS..Hα-helixtrans-63.2-22.2178.1-69.5175.7000113.3Y186 V190 A193 C198 I203 N204Y186-L200 HydrophobicContact CE2-CD2 4.25Å; V190-L200 HydrophobicContact CG2-CD1 3.91Å; A193-L200 HydrophobicContact CB-CD1 4.22Å; A193-L200 HydrophobicContact CB-CD2 3.77Å; A193-L200 HydrophobicContact CB-CG 4.12Å; C198-L200 PolarHBondContact O-N 2.95Å; C198-L200 VanDerWaalsContact O-N 3.09Å; L200-I203 HydrophobicContact CD2-CD1 4.19Å; L200-N204 WeakPolarHBondContact O-CB 3.42Å; L200-N204 PolarHBondContact O-N 3.12Å
201K95.8Very high94.9Very high177 Ų17768 Ų6877%0.7735%0.346SS*.Hα-helixtrans-72.9-44176.1-62.1179.9-180176.50110.5D199 N204 K205D199-K201 PolarHBondContact O-N 3.2Å; D199-K201 WeakPolarHBondContact OD1-CA 3.47Å; D199-K201 VanDerWaalsContact OD1-CB 3.27Å; D199-K201 WeakPolarHBondContact OD1-CB 3.27Å; D199-K201 PolarHBondContact OD1-N 2.84Å; K201-N204 PolarHBondContact O-N 3.27Å; K201-K205 WeakPolarHBondContact O-CB 3.43Å; K201-K205 PolarHBondContact O-N 3.49Å
202I96.4Very high95.2Very high86 Ų8673.1 Ų73.144%0.44137%0.368SS..Hα-helixtrans-62.8-49.5174.7-67.7175.8000109.8D199 N204 K205 E206D199-I202 HydrophobicContact CB-CB 4.12Å; D199-I202 HydrophobicContact CB-CD1 3.96Å; D199-I202 HydrophobicContact CB-CG1 4.12Å; D199-I202 PolarHBondContact O-N 3.31Å; D199-I202 PolarHBondContact OD1-N 3.21Å; D199-I202 VanDerWaalsContact OD1-N 3.11Å; D199-I202 WeakPolarHBondContact OD2-CD1 3.21Å; D199-I202 WeakPolarHBondContact OD2-CG1 3.4Å; I202-N204 VanDerWaalsContact C-N 3.3Å; I202-N204 PolarHBondContact O-N 3.39Å; I202-K205 WeakPolarHBondContact O-CB 3.37Å; I202-K205 PolarHBondContact O-N 2.91Å; I202-K205 VanDerWaalsContact O-N 3.07Å; I202-E206 HydrophobicContact CG2-CG 4.26Å; I202-E206 WeakPolarHBondContact CG2-OE1 3.35Å; I202-E206 WeakPolarHBondContact O-CG 3.27Å; I202-E206 PolarHBondContact O-N 3.17Å
203I96.5Very high95.4Very high9 Ų979.9 Ų79.95%0.04640%0.399CS..Hα-helixtrans-55.3-46.2177.9-68.6162.3000110.9E51 Y186 C198 D199 L200 K205 A207E51-I203 HydrophobicContact CB-CG2 4.24Å; E51-I203 HydrophobicContact CG-CG2 4.4Å; Y186-I203 HydrophobicContact CD1-CD1 4.23Å; Y186-I203 HydrophobicContact CE1-CD1 3.85Å; Y186-I203 HydrophobicContact CE1-CG2 4.29Å; C198-I203 HydrophobicContact CB-CD1 3.98Å; D199-I203 WeakPolarHBondContact O-CG1 3.46Å; D199-I203 PolarHBondContact O-N 2.86Å; L200-I203 HydrophobicContact CD2-CD1 4.19Å; I203-K205 PolarHBondContact O-N 3.39Å; I203-A207 WeakPolarHBondContact O-CB 3.44Å; I203-A207 PolarHBondContact O-N 3.03Å
204N97.4Very high95.4Very high50 Ų5083.7 Ų83.727%0.26742%0.417SS..Hα-helixtrans-60.5-45.6177.2-168.826000112P48 S50 L200 K201 I202 K208P48-N204 HydrophobicContact CG-CB 3.84Å; S50-N204 PolarHBondContact OG-OD1 2.93Å; L200-N204 WeakPolarHBondContact O-CB 3.42Å; L200-N204 PolarHBondContact O-N 3.12Å; K201-N204 PolarHBondContact O-N 3.27Å; I202-N204 VanDerWaalsContact C-N 3.3Å; I202-N204 PolarHBondContact O-N 3.39Å; N204-K208 WeakPolarHBondContact O-CB 3.42Å; N204-K208 VanDerWaalsContact O-CG 3.28Å; N204-K208 WeakPolarHBondContact O-CG 3.39Å; N204-K208 PolarHBondContact O-N 3.36Å; N204-K208 VanDerWaalsContact OD1-CE 3.3Å; N204-K208 WeakPolarHBondContact OD1-CE 3.29Å
205K98Very high95Very high166 Ų16681 Ų8172%0.72241%0.407SS*.Hα-helixtrans-62.1-49.8-179.4-178.1-175.1175.1-173.10111.4K201 I202 I203 K208 A209K201-K205 WeakPolarHBondContact O-CB 3.43Å; K201-K205 PolarHBondContact O-N 3.49Å; I202-K205 WeakPolarHBondContact O-CB 3.37Å; I202-K205 PolarHBondContact O-N 2.91Å; I202-K205 VanDerWaalsContact O-N 3.07Å; I203-K205 PolarHBondContact O-N 3.39Å; K205-K208 PolarHBondContact O-N 3.09Å; K205-A209 PolarHBondContact O-N 3.32Å
206E97.7Very high93.3Very high97 Ų9787.2 Ų87.245%0.45343%0.433SS..Hα-helixtrans-64.3-44.1179.1-68.8175.6176.200111.7R54 I202 K208 A209 F210R54-E206 IonicContact NH1-OE2 3.17Å; I202-E206 HydrophobicContact CG2-CG 4.26Å; I202-E206 WeakPolarHBondContact CG2-OE1 3.35Å; I202-E206 WeakPolarHBondContact O-CG 3.27Å; I202-E206 PolarHBondContact O-N 3.17Å; E206-K208 PolarHBondContact O-N 3.17Å; E206-A209 PolarHBondContact O-N 2.89Å; E206-F210 WeakPolarHBondContact O-CB 3.34Å; E206-F210 PolarHBondContact O-N 3.45Å
207A97.7Very high93.4Very high0 Ų088.3 Ų88.30%044%0.439CS..Hα-helixtrans-62.6-42.6178.700000111.7S50 E51 R54 I203 A209 F210 V211S50-A207 WeakPolarHBondContact O-CB 3.42Å; E51-A207 HydrophobicContact CB-CB 4.49Å; R54-A207 HydrophobicContact CB-CB 4.12Å; I203-A207 WeakPolarHBondContact O-CB 3.44Å; I203-A207 PolarHBondContact O-N 3.03Å; A207-A209 PolarHBondContact O-N 3.31Å; A207-F210 PolarHBondContact O-N 3.42Å; A207-V211 WeakPolarHBondContact O-CB 3.45Å; A207-V211 WeakPolarHBondContact O-CG2 3.48Å; A207-V211 PolarHBondContact O-N 3.47Å
208K97.8Very high93.4Very high123 Ų12389.3 Ų89.354%0.53543%0.425SS..Hα-helixtrans-61.8-40.7174-76.6179.4175.7-174.70113N204 K205 E206 K212N204-K208 WeakPolarHBondContact O-CB 3.42Å; N204-K208 VanDerWaalsContact O-CG 3.28Å; N204-K208 WeakPolarHBondContact O-CG 3.39Å; N204-K208 PolarHBondContact O-N 3.36Å; N204-K208 VanDerWaalsContact OD1-CE 3.3Å; N204-K208 WeakPolarHBondContact OD1-CE 3.29Å; K205-K208 PolarHBondContact O-N 3.09Å; E206-K208 PolarHBondContact O-N 3.17Å; K208-K212 VanDerWaalsContact O-CB 3.32Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 2.85Å
209A97.8Very high93.4Very high60 Ų6092.9 Ų92.950%0.49644%0.439SS..Hα-helixtrans-62.6-47.817700000110.8K205 E206 A207 K212 E213K205-A209 PolarHBondContact O-N 3.32Å; E206-A209 PolarHBondContact O-N 2.89Å; A207-A209 PolarHBondContact O-N 3.31Å; A209-K212 PolarHBondContact O-N 3.13Å; A209-E213 PolarHBondContact O-N 2.67Å
210F97.5Very high93.3Very high48 Ų4893.9 Ų93.921%0.21144%0.441CS..Hα-helixtrans-59.5-50177.6-176.5-86000112.2R54 L57 V58 E206 A207 K212 E213 H214R54-F210 HydrophobicContact CB-CD1 4.14Å; R54-F210 HydrophobicContact CG-CB 4.43Å; R54-F210 HydrophobicContact CG-CD1 3.64Å; R54-F210 HydrophobicContact CG-CE1 4.1Å; R54-F210 HydrophobicContact CG-CG 4.05Å; L57-F210 HydrophobicContact CB-CE1 3.98Å; L57-F210 HydrophobicContact CD1-CD1 4.47Å; L57-F210 HydrophobicContact CD1-CE1 4.35Å; V58-F210 HydrophobicContact CG2-CE1 3.85Å; V58-F210 HydrophobicContact CG2-CE2 4.43Å; V58-F210 HydrophobicContact CG2-CZ 3.65Å; E206-F210 WeakPolarHBondContact O-CB 3.34Å; E206-F210 PolarHBondContact O-N 3.45Å; A207-F210 PolarHBondContact O-N 3.42Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 2.95Å; F210-E213 WeakPolarHBondContact O-CB 3.31Å; F210-E213 PolarHBondContact O-N 3.32Å; F210-E213 VanDerWaalsContact O-N 3.08Å; F210-H214 AromaticContact CD1-ND1 3.94Å; F210-H214 AromaticContact CD2-CE1 3.64Å; F210-H214 AromaticContact CD2-ND1 3.84Å; F210-H214 HydrophobicContact CE1-CB 4.34Å; F210-H214 AromaticContact CE1-CG 3.9Å; F210-H214 AromaticContact CE1-ND1 3.84Å; F210-H214 AromaticContact CE2-CE1 3.32Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.5Å; F210-H214 AromaticContact CE2-ND1 3.74Å; F210-H214 AromaticContact CE2-NE2 3.66Å; F210-H214 AromaticContact CG-ND1 3.94Å; F210-H214 AromaticContact CZ-CD2 3.85Å; F210-H214 AromaticContact CZ-CE1 3.63Å; F210-H214 AromaticContact CZ-CG 3.89Å; F210-H214 AromaticContact CZ-ND1 3.74Å; F210-H214 AromaticContact CZ-NE2 3.67Å; F210-H214 PolarHBondContact O-N 2.94Å; F210-H214 VanDerWaalsContact O-N 3.1Å; F210-H214 PolarHBondContact O-ND1 3.36Å
211V97.2Very high93.2Very high9 Ų997.1 Ų97.16%0.05545%0.454CS..Hα-helixtrans-59-43.5179.8171.10000110.9Q53 R54 L57 A207 E213 H214 Q215Q53-V211 HydrophobicContact CB-CG1 4.41Å; Q53-V211 HydrophobicContact CB-CG2 3.72Å; R54-V211 HydrophobicContact CB-CG2 4.18Å; L57-V211 HydrophobicContact CD1-CB 4.32Å; L57-V211 HydrophobicContact CD1-CG1 4.36Å; L57-V211 HydrophobicContact CD1-CG2 4Å; A207-V211 WeakPolarHBondContact O-CB 3.45Å; A207-V211 WeakPolarHBondContact O-CG2 3.48Å; A207-V211 PolarHBondContact O-N 3.47Å; V211-E213 PolarHBondContact O-N 3.13Å; V211-H214 PolarHBondContact O-N 3.29Å; V211-Q215 VanDerWaalsContact CG1-CD 3.41Å; V211-Q215 HydrophobicContact CG1-CG 4.02Å; V211-Q215 VanDerWaalsContact CG1-OE1 3.24Å; V211-Q215 WeakPolarHBondContact O-CB 3.47Å; V211-Q215 WeakPolarHBondContact O-CG 3.34Å; V211-Q215 PolarHBondContact O-N 2.93Å
212K96.7Very high93Very high151 Ų15191.7 Ų91.766%0.65743%0.433SS*.Hα-helixtrans-62.3-29.7177.8-176.3179.2178.7-176.90113.3K208 A209 F210K208-K212 VanDerWaalsContact O-CB 3.32Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 2.85Å; A209-K212 PolarHBondContact O-N 3.13Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 2.95Å
213E96.1Very high92.8Very high144 Ų14492.1 Ų92.167%0.67343%0.433SS*.Hα-helixtrans-79.7-33.4178.8-176.2173.4-165.100112.4A209 F210 V211A209-E213 PolarHBondContact O-N 2.67Å; F210-E213 WeakPolarHBondContact O-CB 3.31Å; F210-E213 PolarHBondContact O-N 3.32Å; F210-E213 VanDerWaalsContact O-N 3.08Å; V211-E213 PolarHBondContact O-N 3.13Å
214H94.3Very high92.5Very high80 Ų8098.5 Ų98.537%0.3746%0.463SS..Hα-helixtrans-103.6-5.6-170.6-66.374.3000114.8L57 F210 V211L57-H214 HydrophobicContact CD1-CB 4.16Å; F210-H214 AromaticContact CD1-ND1 3.94Å; F210-H214 AromaticContact CD2-CE1 3.64Å; F210-H214 AromaticContact CD2-ND1 3.84Å; F210-H214 HydrophobicContact CE1-CB 4.34Å; F210-H214 AromaticContact CE1-CG 3.9Å; F210-H214 AromaticContact CE1-ND1 3.84Å; F210-H214 AromaticContact CE2-CE1 3.32Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.5Å; F210-H214 AromaticContact CE2-ND1 3.74Å; F210-H214 AromaticContact CE2-NE2 3.66Å; F210-H214 AromaticContact CG-ND1 3.94Å; F210-H214 AromaticContact CZ-CD2 3.85Å; F210-H214 AromaticContact CZ-CE1 3.63Å; F210-H214 AromaticContact CZ-CG 3.89Å; F210-H214 AromaticContact CZ-ND1 3.74Å; F210-H214 AromaticContact CZ-NE2 3.67Å; F210-H214 PolarHBondContact O-N 2.94Å; F210-H214 VanDerWaalsContact O-N 3.1Å; F210-H214 PolarHBondContact O-ND1 3.36Å; V211-H214 PolarHBondContact O-N 3.29Å
215Q81.8Confident92.1Very high123 Ų123102.6 Ų102.658%0.57548%0.479SS*.  trans-98.411.5174.6-73.2-172.5-25.800114L57 V211L57-Q215 HydrophobicContact CD1-CG 4.03Å; L57-Q215 HydrophobicContact CD2-CG 4.25Å; V211-Q215 VanDerWaalsContact CG1-CD 3.41Å; V211-Q215 HydrophobicContact CG1-CG 4.02Å; V211-Q215 VanDerWaalsContact CG1-OE1 3.24Å; V211-Q215 WeakPolarHBondContact O-CB 3.47Å; V211-Q215 WeakPolarHBondContact O-CG 3.34Å; V211-Q215 PolarHBondContact O-N 2.93Å
216K52.7Low91.6Very high230 Ų23096.8 Ų96.8100%146%0.457SS*.  trans-93.10176.7-71.8-175.8179.3-177.60111.5

Retrieved 216 of 216 residues in 124.7 ms (Link to these results)

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