A0A087X9G7_POEFO Loading...

Guanidinoacetate N-methyltransferase

Converts guanidinoacetate to creatine, using S-adenosylmethionine as the methyl donor.

AlphaFold DB , UniProt , Accession A0A087X9G7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 235 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low69.2Low247 Ų247118 Ų118100%1.21767%0.668SS**  0105.90-67.1178.4-173.600106.3S3M1-S3 PolarHBondContact O-N 2.85Å; M1-S3 VanDerWaalsContact O-N 3.17Å
2T38.8Very low71.3Confident148 Ų148113.5 Ų113.591%0.90867%0.667SS**  trans-74102.2174.842.70000107.2A4T2-A4 PolarHBondContact O-N 3.33Å
3S44.2Very low73.2Confident110 Ų110108.5 Ų108.577%0.76963%0.633SS**PPolyproline II helixtrans-57.6131.4171.553.70000108.4M1M1-S3 PolarHBondContact O-N 2.85Å; M1-S3 VanDerWaalsContact O-N 3.17Å
4A53.1Low74.9Confident80 Ų80107.4 Ų107.466%0.66162%0.624SS**PPolyproline II helixtrans-52.5142.617100000109.6T2 Q6T2-A4 PolarHBondContact O-N 3.33Å; A4-Q6 PolarHBondContact O-N 2.71Å; A4-Q6 VanDerWaalsContact O-N 3.16Å
5P62.6Low76.3Confident129 Ų129100.3 Ų100.384%0.83858%0.583SS**PPolyproline II helixtrans-57123.8177.321.8-30.2000109.1
6Q73.6Confident77.5Confident176 Ų17698.8 Ų98.882%0.82257%0.567SS**PPolyproline II helixtrans-74.4138.6177.3-74.6-173.7-21.800109.5A4A4-Q6 PolarHBondContact O-N 2.71Å; A4-Q6 VanDerWaalsContact O-N 3.16Å
7P85.3Confident78.5Confident88 Ų8898.8 Ų98.857%0.57157%0.572SS**PPolyproline II helixtrans-64.8152.3174.930.6-35.9000110.3F9P7-F9 WeakPolarHBondContact CB-O 3.25Å; P7-F9 WeakPolarHBondContact CG-O 3.15Å; P7-F9 PolarHBondContact O-N 3.02Å
8I89.4Confident79.4Confident23 Ų2397.1 Ų97.112%0.11857%0.566CS.*SBendtrans-62.1-36.8178.2-63-63000111.5K38 P39 Y136 W143I8-K38 PolarHBondContact O-NZ 3.26Å; I8-P39 HydrophobicContact CD1-CG 4.16Å; I8-Y136 WeakPolarHBondContact CG2-OH 3.47Å; I8-W143 HydrophobicContact CB-CZ2 4.3Å; I8-W143 HydrophobicContact CG1-CZ2 4.28Å
9F92.9Very high80.3Confident9 Ų992.4 Ų92.44%0.03954%0.538CS..SBendtrans-121.8140.7172.3-70.3-82.9000111.2P7 E13 K38 Y136 P137 E140 W143P7-F9 WeakPolarHBondContact CB-O 3.25Å; P7-F9 WeakPolarHBondContact CG-O 3.15Å; P7-F9 PolarHBondContact O-N 3.02Å; F9-E13 VanDerWaalsContact CA-OE2 3.26Å; F9-E13 WeakPolarHBondContact CA-OE2 3.13Å; F9-E13 HydrophobicContact CD1-CB 4.13Å; F9-E13 HydrophobicContact CD1-CG 4.14Å; F9-K38 HydrophobicContact CE1-CD 4.15Å; F9-K38 HydrophobicContact CZ-CD 4.23Å; F9-Y136 HydrophobicContact CE2-CE1 4.41Å; F9-Y136 AromaticContact CZ-CE1 3.96Å; F9-Y136 HydrophobicContact CZ-CE1 3.96Å; F9-P137 HydrophobicContact CE2-CB 4.03Å; F9-P137 HydrophobicContact CE2-CG 3.72Å; F9-P137 HydrophobicContact CZ-CB 4.16Å; F9-P137 HydrophobicContact CZ-CG 4.05Å; F9-P137 VanDerWaalsContact CZ-O 3.27Å; F9-P137 WeakPolarHBondContact CZ-O 3.42Å; F9-E140 HydrophobicContact CB-CB 3.75Å; F9-E140 HydrophobicContact CB-CG 3.94Å; F9-E140 HydrophobicContact CG-CB 4.25Å; F9-W143 HydrophobicContact CD2-CB 4.42Å; F9-W143 HydrophobicContact CD2-CD2 4.34Å; F9-W143 HydrophobicContact CD2-CG 4.21Å; F9-W143 HydrophobicContact CE2-CG 4.4Å
10T93Very high81Confident86 Ų8691.4 Ų91.453%0.52853%0.527SS..  trans-80.9158.2163.659.90000110.2G12 E13T10-G12 PolarHBondContact O-N 3.18Å; T10-E13 PolarHBondContact N-OE2 2.87Å; T10-E13 WeakPolarHBondContact O-CB 3.24Å; T10-E13 PolarHBondContact O-N 3.43Å; T10-E13 WeakPolarHBondContact OG1-CB 3.44Å; T10-E13 PolarHBondContact OG1-OE2 3.3Å
11K93.6Very high81.7Confident202 Ų20293 Ų9388%0.87853%0.534SS*.THydrogen-bonded Turntrans-58.5123.2-176.1-177.2179.8-179.6179.30111E13K11-E13 PolarHBondContact O-N 2.85Å
12G94.4Very high84.7Confident64 Ų6482 Ų8266%0.6648%0.482SS*.THydrogen-bonded Turntrans71.315.1-179.400000114.6T10 D14 E140T10-G12 PolarHBondContact O-N 3.18Å; G12-D14 PolarHBondContact O-N 2.83Å; G12-E140 PolarHBondContact N-OE2 2.88Å
13E96.1Very high87.5Confident48 Ų4881.3 Ų81.322%0.22447%0.473CS..  trans-67.7130.1175.1-172.3177.3-178.800111.1F9 T10 K11 C15 K38 S139 E140F9-E13 VanDerWaalsContact CA-OE2 3.26Å; F9-E13 WeakPolarHBondContact CA-OE2 3.13Å; F9-E13 HydrophobicContact CD1-CB 4.13Å; F9-E13 HydrophobicContact CD1-CG 4.14Å; T10-E13 PolarHBondContact N-OE2 2.87Å; T10-E13 WeakPolarHBondContact O-CB 3.24Å; T10-E13 PolarHBondContact O-N 3.43Å; T10-E13 WeakPolarHBondContact OG1-CB 3.44Å; T10-E13 PolarHBondContact OG1-OE2 3.3Å; K11-E13 PolarHBondContact O-N 2.85Å; E13-C15 PolarHBondContact OE1-SG 2.87Å; E13-C15 VanDerWaalsContact OE1-SG 3.4Å; E13-K38 VanDerWaalsContact OE1-CE 3.29Å; E13-K38 WeakPolarHBondContact OE1-CE 3.49Å; E13-K38 IonicContact OE1-NZ 3.42Å; E13-K38 PolarHBondContact OE1-NZ 3.24Å; E13-K38 IonicContact OE2-NZ 2.82Å; E13-K38 PolarHBondContact OE2-NZ 3.03Å; E13-K38 VanDerWaalsContact OE2-NZ 3.13Å; E13-S139 VanDerWaalsContact O-CA 3.26Å; E13-S139 WeakPolarHBondContact O-CA 3.3Å; E13-S139 WeakPolarHBondContact O-CB 3.39Å; E13-E140 PolarHBondContact O-N 2.99Å
14D96.8Very high90.1Very high93 Ų9376.7 Ų76.750%0.49744%0.442SS..BIsolated β-bridgetrans-129.6112.3172.4-179.19.6000109G12 K16G12-D14 PolarHBondContact O-N 2.83Å; D14-K16 WeakPolarHBondContact OD1-CB 3.23Å; D14-K16 PolarHBondContact OD1-N 2.71Å
15C96Very high92.2Very high1 Ų174.1 Ų74.11%0.00742%0.423CS..  trans-94.5-12.2179.6-53.70000112.3E13 P17 S18 W19 M36 K38 L138E13-C15 PolarHBondContact OE1-SG 2.87Å; E13-C15 VanDerWaalsContact OE1-SG 3.4Å; C15-P17 VanDerWaalsContact C-CD 3.44Å; C15-S18 PolarHBondContact O-N 2.7Å; C15-S18 VanDerWaalsContact O-N 3.13Å; C15-W19 HydrophobicContact CB-CE3 3.7Å; C15-W19 HydrophobicContact CB-CZ3 4Å; C15-W19 PolarHBondContact O-N 2.78Å; C15-M36 HydrophobicContact CB-CE 4.2Å; C15-M36 HydrophobicContact CB-SD 3.93Å; C15-K38 WeakPolarHBondContact SG-CE 3.49Å; C15-L138 WeakPolarHBondContact CA-O 3.37Å; C15-L138 WeakPolarHBondContact CB-O 3.43Å; C15-L138 PolarHBondContact N-O 3.43Å
16K94.9Very high93.9Very high77 Ų7770.7 Ų70.734%0.33539%0.394SS..G310 helixtrans-55-42.1-173.2-174.2168.1178.9167.20113.7D14 S18 W19 L115 E117 L138D14-K16 WeakPolarHBondContact OD1-CB 3.23Å; D14-K16 PolarHBondContact OD1-N 2.71Å; K16-S18 PolarHBondContact O-N 2.8Å; K16-W19 PolarHBondContact O-N 3.12Å; K16-L115 HydrophobicContact CG-CD1 4.22Å; K16-E117 WeakPolarHBondContact CE-OE1 3.28Å; K16-E117 IonicContact NZ-OE1 2.83Å; K16-E117 PolarHBondContact NZ-OE1 3.04Å; K16-L138 HydrophobicContact CB-CB 3.89Å; K16-L138 HydrophobicContact CB-CD1 4.05Å; K16-L138 HydrophobicContact CD-CD1 4.28Å; K16-L138 HydrophobicContact CG-CB 4.5Å; K16-L138 HydrophobicContact CG-CD1 3.85Å
17P95.5Very high95Very high99 Ų9965.2 Ų65.264%0.64337%0.37SS*.G310 helixtrans-63-27-178.8-24.535.4000114.4C15C15-P17 VanDerWaalsContact C-CD 3.44Å
18S95.1Very high95.6Very high67 Ų6770.8 Ų70.847%0.46939%0.389SS..G310 helixtrans-108.7-7.5-174-55.50000113.1C15 K16 H20 D21 A22C15-S18 PolarHBondContact O-N 2.7Å; C15-S18 VanDerWaalsContact O-N 3.13Å; K16-S18 PolarHBondContact O-N 2.8Å; S18-H20 VanDerWaalsContact C-N 3.27Å; S18-H20 PolarHBondContact O-N 2.88Å; S18-D21 PolarHBondContact O-N 2.77Å; S18-A22 WeakPolarHBondContact O-CB 3.43Å; S18-A22 PolarHBondContact O-N 3.47Å
19W96.2Very high96Very high8 Ų873.1 Ų73.13%0.0341%0.412CS..THydrogen-bonded Turntrans-62.8-34.3-170.6-162.6-90.9000113.3C15 K16 I35 M36 K38 V40 N91 Y136 L138C15-W19 HydrophobicContact CB-CE3 3.7Å; C15-W19 HydrophobicContact CB-CZ3 4Å; C15-W19 PolarHBondContact O-N 2.78Å; K16-W19 PolarHBondContact O-N 3.12Å; W19-I35 HydrophobicContact CD2-CG2 4.18Å; W19-I35 HydrophobicContact CE3-CG2 4.27Å; W19-I35 HydrophobicContact CH2-CB 4.06Å; W19-I35 HydrophobicContact CH2-CG2 4.2Å; W19-I35 HydrophobicContact CZ2-CB 4.01Å; W19-I35 HydrophobicContact CZ2-CD1 4.03Å; W19-I35 HydrophobicContact CZ2-CG2 4.09Å; W19-I35 HydrophobicContact CZ3-CG2 4.29Å; W19-M36 HydrophobicContact CE3-SD 4.15Å; W19-K38 HydrophobicContact CZ3-CD 4.25Å; W19-V40 HydrophobicContact CH2-CG2 3.79Å; W19-V40 HydrophobicContact CZ2-CG2 3.81Å; W19-N91 PolarHBondContact O-ND2 3.16Å; W19-Y136 AromaticContact CH2-CD1 3.37Å; W19-Y136 HydrophobicContact CH2-CD1 3.37Å; W19-Y136 AromaticContact CH2-CE1 3.99Å; W19-Y136 HydrophobicContact CH2-CE1 3.99Å; W19-Y136 HydrophobicContact CH2-CG 4.05Å; W19-Y136 AromaticContact CZ2-CD1 3.92Å; W19-Y136 HydrophobicContact CZ2-CD1 3.92Å; W19-Y136 HydrophobicContact CZ2-CG 4.19Å; W19-Y136 HydrophobicContact CZ3-CD1 4.19Å; W19-L138 HydrophobicContact CB-CD2 4.28Å; W19-L138 HydrophobicContact CD2-CD2 3.29Å; W19-L138 HydrophobicContact CE3-CD2 3.57Å; W19-L138 HydrophobicContact CG-CD2 3.63Å; W19-L138 HydrophobicContact CH2-CD2 4.26Å; W19-L138 HydrophobicContact CZ2-CD2 4.03Å; W19-L138 HydrophobicContact CZ3-CD2 4.04Å
20H94.4Very high96.3Very high72 Ų7274.8 Ų74.833%0.33342%0.421SS..THydrogen-bonded Turntrans-58.8-52.6179.5-177.465.8000112.2S18 C90 N91 D92S18-H20 VanDerWaalsContact C-N 3.27Å; S18-H20 PolarHBondContact O-N 2.88Å; H20-C90 PolarHBondContact ND1-O 2.73Å; H20-N91 PolarHBondContact O-ND2 2.6Å; H20-D92 IonicContact CD2-OD1 3.82Å; H20-D92 IonicContact CE1-OD1 3.97Å; H20-D92 PolarHBondContact CE1-OD1 2.96Å; H20-D92 IonicContact CG-OD1 3.46Å; H20-D92 IonicContact ND1-OD1 3.13Å; H20-D92 PolarHBondContact ND1-OD1 2.79Å; H20-D92 IonicContact NE2-OD1 2.75Å; H20-D92 PolarHBondContact NE2-OD1 3.44Å; H20-D92 IonicContact NE2-OD2 3.79Å; H20-D92 PolarHBondContact O-N 3.04Å
21D95.6Very high96.5Very high126 Ų12673 Ų7367%0.67441%0.409SS*.THydrogen-bonded Turntrans-91.6-4.5-173.7-58.3-48.6000113.3S18S18-D21 PolarHBondContact O-N 2.77Å
22A97.1Very high96.7Very high15 Ų1565.9 Ų65.912%0.12438%0.38CS..SBendtrans-62.6141178.600000111.1S18 A24 I35 M36 N91S18-A22 WeakPolarHBondContact O-CB 3.43Å; S18-A22 PolarHBondContact O-N 3.47Å; A22-A24 PolarHBondContact O-N 2.83Å; A22-I35 HydrophobicContact CB-CG2 3.6Å; A22-M36 HydrophobicContact CB-CG 3.65Å; A22-M36 HydrophobicContact CB-SD 4.18Å; A22-N91 PolarHBondContact O-ND2 3.17Å
23N97.7Very high96.9Very high135 Ų13562.9 Ų62.972%0.72235%0.348SS*.  trans-64.1126.4178.2-178.265.4000111.3G25N23-G25 PolarHBondContact O-N 3.11Å
24A98.1Very high97Very high13 Ų1364.3 Ų64.311%0.10736%0.355CS..EExtended strand (participates in β ladder)trans-76.597.2168.800000110.2A22 Y26 L33 V94A22-A24 PolarHBondContact O-N 2.83Å; A24-Y26 HydrophobicContact CB-CD2 4.26Å; A24-Y26 HydrophobicContact CB-CE2 3.85Å; A24-Y26 PolarHBondContact O-N 2.83Å; A24-Y26 VanDerWaalsContact O-N 3.12Å; A24-L33 HydrophobicContact CB-CD1 4.11Å; A24-V94 HydrophobicContact CB-CG2 3.87Å
25G98Very high97.1Very high26 Ų2660 Ų6027%0.26833%0.332SS..EExtended strand (participates in β ladder)trans-8280.1-179.800000112.3N23 E34N23-G25 PolarHBondContact O-N 3.11Å; G25-E34 WeakPolarHBondContact CA-O 2.83Å; G25-E34 PolarHBondContact N-O 2.96Å; G25-E34 PolarHBondContact O-N 3.13Å
26Y98.3Very high97.1Very high56 Ų5664.2 Ų64.222%0.2235%0.352CS..EExtended strand (participates in β ladder)trans-76.5128.6163.7-61.3-82000109.5A24 H32 L33 G69 M70 R97A24-Y26 HydrophobicContact CB-CD2 4.26Å; A24-Y26 HydrophobicContact CB-CE2 3.85Å; A24-Y26 PolarHBondContact O-N 2.83Å; A24-Y26 VanDerWaalsContact O-N 3.12Å; Y26-H32 WeakPolarHBondContact CA-O 3.46Å; Y26-L33 HydrophobicContact CD1-CB 3.98Å; Y26-L33 HydrophobicContact CD1-CD1 3.91Å; Y26-L33 HydrophobicContact CD1-CG 4.4Å; Y26-L33 HydrophobicContact CD2-CD1 4.18Å; Y26-L33 HydrophobicContact CE1-CB 3.89Å; Y26-L33 HydrophobicContact CE1-CD1 3.69Å; Y26-L33 HydrophobicContact CE1-CD2 3.87Å; Y26-L33 HydrophobicContact CE1-CG 4.01Å; Y26-L33 HydrophobicContact CE2-CD1 3.98Å; Y26-L33 HydrophobicContact CG-CD1 4.17Å; Y26-G69 PolarHBondContact OH-O 3.11Å; Y26-M70 HydrophobicContact CD1-CG 4.41Å; Y26-M70 HydrophobicContact CE1-CG 4.01Å; Y26-R97 WeakPolarHBondContact OH-CD 3.45Å
27N97.8Very high97Very high61 Ų6163.1 Ų63.133%0.32636%0.363SS..  trans-73.8163.1175.274-18.3000111.7A29 D30 T31 H32N27-A29 PolarHBondContact O-N 3.07Å; N27-D30 WeakPolarHBondContact O-CA 3.34Å; N27-D30 PolarHBondContact O-N 3.45Å; N27-D30 WeakPolarHBondContact OD1-CA 3.27Å; N27-D30 PolarHBondContact OD1-N 2.87Å; N27-D30 VanDerWaalsContact OD1-N 3.12Å; N27-T31 PolarHBondContact ND2-OG1 3.44Å; N27-T31 PolarHBondContact OD1-N 3.03Å; N27-H32 PolarHBondContact N-O 2.85Å; N27-H32 PolarHBondContact ND2-ND1 2.99Å; N27-H32 PolarHBondContact OD1-N 3.18Å; N27-H32 VanDerWaalsContact OD1-N 3.08Å
28E97.7Very high97Very high206 Ų20659.1 Ų59.196%0.96334%0.336SS*.THydrogen-bonded Turntrans-58.1-35.7-176.1-174.1179.2179.100113.3D30E28-D30 PolarHBondContact O-N 3Å
29A97.8Very high97.1Very high72 Ų7256.3 Ų56.360%0.59532%0.316SS*.THydrogen-bonded Turntrans-77.4-3.4177.800000113.9N27 T31N27-A29 PolarHBondContact O-N 3.07Å; A29-T31 HydrophobicContact CB-CG2 4.08Å; A29-T31 PolarHBondContact O-N 2.81Å
30D97.9Very high97.1Very high44 Ų4457.5 Ų57.524%0.23532%0.324CS..SBendtrans48.843.3-172.7-165.342.6000112.2N27 E28 R43 M70 R97N27-D30 WeakPolarHBondContact O-CA 3.34Å; N27-D30 PolarHBondContact O-N 3.45Å; N27-D30 WeakPolarHBondContact OD1-CA 3.27Å; N27-D30 PolarHBondContact OD1-N 2.87Å; N27-D30 VanDerWaalsContact OD1-N 3.12Å; E28-D30 PolarHBondContact O-N 3Å; D30-R43 PolarHBondContact O-NE 2.87Å; D30-R43 PolarHBondContact O-NH2 2.96Å; D30-R43 IonicContact OD2-NH2 3.66Å; D30-R43 PolarHBondContact OD2-NH2 3.31Å; D30-M70 VanDerWaalsContact C-CE 3.47Å; D30-M70 WeakPolarHBondContact O-CE 3.2Å; D30-R97 IonicContact OD1-CZ 2.8Å; D30-R97 IonicContact OD1-NH1 3.96Å; D30-R97 PolarHBondContact OD1-NH1 3.47Å; D30-R97 IonicContact OD1-NH2 2.77Å; D30-R97 PolarHBondContact OD1-NH2 2.82Å; D30-R97 IonicContact OD2-CZ 2.72Å; D30-R97 IonicContact OD2-NH1 3.62Å; D30-R97 IonicContact OD2-NH2 2.67Å; D30-R97 PolarHBondContact OD2-NH2 3.13Å
31T98Very high97.2Very high47 Ų4754.6 Ų54.629%0.28831%0.311SS..  trans-105.7-17.7176.655.50000113.4N27 A29 E42 R43N27-T31 PolarHBondContact ND2-OG1 3.44Å; N27-T31 PolarHBondContact OD1-N 3.03Å; A29-T31 HydrophobicContact CB-CG2 4.08Å; A29-T31 PolarHBondContact O-N 2.81Å; T31-E42 WeakPolarHBondContact O-CA 3.3Å; T31-R43 PolarHBondContact O-N 2.89Å
32H98.1Very high97.4Very high54 Ų5449.1 Ų49.125%0.2528%0.281CS..EExtended strand (participates in β ladder)trans-136.7144-179.2-60.668000110.2Y26 N27 E42Y26-H32 WeakPolarHBondContact CA-O 3.46Å; N27-H32 PolarHBondContact N-O 2.85Å; N27-H32 PolarHBondContact ND2-ND1 2.99Å; N27-H32 PolarHBondContact OD1-N 3.18Å; N27-H32 VanDerWaalsContact OD1-N 3.08Å; H32-E42 IonicContact CD2-OE1 3.28Å; H32-E42 IonicContact NE2-OE2 2.77Å
33L98.4Very high97.4Very high1 Ų152.6 Ų52.61%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-118120.6164.3168.659.7000108.5A24 Y26 I35 V40 M41 M70 V94A24-L33 HydrophobicContact CB-CD1 4.11Å; Y26-L33 HydrophobicContact CD1-CB 3.98Å; Y26-L33 HydrophobicContact CD1-CD1 3.91Å; Y26-L33 HydrophobicContact CD1-CG 4.4Å; Y26-L33 HydrophobicContact CD2-CD1 4.18Å; Y26-L33 HydrophobicContact CE1-CB 3.89Å; Y26-L33 HydrophobicContact CE1-CD1 3.69Å; Y26-L33 HydrophobicContact CE1-CD2 3.87Å; Y26-L33 HydrophobicContact CE1-CG 4.01Å; Y26-L33 HydrophobicContact CE2-CD1 3.98Å; Y26-L33 HydrophobicContact CG-CD1 4.17Å; L33-I35 HydrophobicContact CD1-CG1 4.12Å; L33-I35 HydrophobicContact CG-CG1 4.46Å; L33-V40 HydrophobicContact CD2-CB 4.49Å; L33-V40 HydrophobicContact CD2-CG1 4.12Å; L33-V40 HydrophobicContact CG-CB 4.25Å; L33-V40 HydrophobicContact CG-CG1 4.42Å; L33-V40 PolarHBondContact O-N 3.22Å; L33-M41 HydrophobicContact CB-CB 4.14Å; L33-M41 HydrophobicContact CD2-CB 4.42Å; L33-M41 PolarHBondContact N-O 2.95Å; L33-M41 PolarHBondContact O-N 3.33Å; L33-M70 HydrophobicContact CB-CG 3.85Å; L33-M70 HydrophobicContact CB-SD 4.21Å; L33-V94 HydrophobicContact CD1-CG2 4.48Å; L33-V94 HydrophobicContact CD2-CG2 4.12Å
34E97.8Very high97.5Very high78 Ų7848.2 Ų48.236%0.36427%0.265SS..EExtended strand (participates in β ladder)trans-114.4137.2170.9-63.7-174.3174.300111.3G25 K38G25-E34 WeakPolarHBondContact CA-O 2.83Å; G25-E34 PolarHBondContact N-O 2.96Å; G25-E34 PolarHBondContact O-N 3.13Å; E34-K38 WeakPolarHBondContact CA-O 3.41Å
35I98Very high97.5Very high2 Ų247.9 Ų47.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-127.6126.2171.8-56.8178.1000107.1W19 A22 L33 G37 K38 V40 N91 V94W19-I35 HydrophobicContact CD2-CG2 4.18Å; W19-I35 HydrophobicContact CE3-CG2 4.27Å; W19-I35 HydrophobicContact CH2-CB 4.06Å; W19-I35 HydrophobicContact CH2-CG2 4.2Å; W19-I35 HydrophobicContact CZ2-CB 4.01Å; W19-I35 HydrophobicContact CZ2-CD1 4.03Å; W19-I35 HydrophobicContact CZ2-CG2 4.09Å; W19-I35 HydrophobicContact CZ3-CG2 4.29Å; A22-I35 HydrophobicContact CB-CG2 3.6Å; L33-I35 HydrophobicContact CD1-CG1 4.12Å; L33-I35 HydrophobicContact CG-CG1 4.46Å; I35-G37 PolarHBondContact O-N 2.92Å; I35-G37 VanDerWaalsContact O-N 3.16Å; I35-K38 PolarHBondContact N-O 3.25Å; I35-K38 WeakPolarHBondContact O-CB 3.4Å; I35-K38 PolarHBondContact O-N 3.37Å; I35-V40 HydrophobicContact CB-CG2 3.88Å; I35-V40 HydrophobicContact CD1-CG1 4.48Å; I35-V40 HydrophobicContact CD1-CG2 4.24Å; I35-V40 HydrophobicContact CG1-CG2 3.99Å; I35-N91 HydrophobicContact CD1-CB 4.17Å; I35-V94 HydrophobicContact CD1-CG2 4.06Å
36M96.1Very high97.5Very high89 Ų8948.2 Ų48.244%0.43826%0.258SS..THydrogen-bonded Turntrans53.132.7-173.2-58.8176.964.500113.3C15 W19 A22 K38C15-M36 HydrophobicContact CB-CE 4.2Å; C15-M36 HydrophobicContact CB-SD 3.93Å; W19-M36 HydrophobicContact CE3-SD 4.15Å; A22-M36 HydrophobicContact CB-CG 3.65Å; A22-M36 HydrophobicContact CB-SD 4.18Å; M36-K38 PolarHBondContact O-N 3.16Å
37G94Very high97.5Very high55 Ų5548.7 Ų48.757%0.56727%0.268SS*.THydrogen-bonded Turntrans72.97.9-177.800000114.9I35I35-G37 PolarHBondContact O-N 2.92Å; I35-G37 VanDerWaalsContact O-N 3.16Å
38K95.6Very high97.6Very high14 Ų1445.8 Ų45.86%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-90.4136.8175.7-57.8-168.4-175.4-66.60110.2I8 F9 E13 C15 W19 E34 I35 M36 V40 Y136I8-K38 PolarHBondContact O-NZ 3.26Å; F9-K38 HydrophobicContact CE1-CD 4.15Å; F9-K38 HydrophobicContact CZ-CD 4.23Å; E13-K38 VanDerWaalsContact OE1-CE 3.29Å; E13-K38 WeakPolarHBondContact OE1-CE 3.49Å; E13-K38 IonicContact OE1-NZ 3.42Å; E13-K38 PolarHBondContact OE1-NZ 3.24Å; E13-K38 IonicContact OE2-NZ 2.82Å; E13-K38 PolarHBondContact OE2-NZ 3.03Å; E13-K38 VanDerWaalsContact OE2-NZ 3.13Å; C15-K38 WeakPolarHBondContact SG-CE 3.49Å; W19-K38 HydrophobicContact CZ3-CD 4.25Å; E34-K38 WeakPolarHBondContact CA-O 3.41Å; I35-K38 PolarHBondContact N-O 3.25Å; I35-K38 WeakPolarHBondContact O-CB 3.4Å; I35-K38 PolarHBondContact O-N 3.37Å; M36-K38 PolarHBondContact O-N 3.16Å; K38-V40 PolarHBondContact O-N 3.39Å; K38-Y136 HydrophobicContact CB-CE1 4.02Å; K38-Y136 HydrophobicContact CD-CE1 3.62Å; K38-Y136 HydrophobicContact CG-CE1 4.46Å
39P95.6Very high97.6Very high9 Ų936 Ų366%0.05821%0.207CC..EExtended strand (participates in β ladder)trans-75.191.4177.831.5-33.2000109.4I8 Y136 Y221I8-P39 HydrophobicContact CD1-CG 4.16Å; P39-Y136 WeakPolarHBondContact O-CE2 3.41Å; P39-Y221 HydrophobicContact CB-CD1 4.13Å; P39-Y221 HydrophobicContact CB-CE1 3.98Å; P39-Y221 HydrophobicContact CG-CD1 3.79Å; P39-Y221 HydrophobicContact CG-CE1 4.16Å
40V96.8Very high97.7Very high32 Ų3235.9 Ų35.919%0.19419%0.193CC..EExtended strand (participates in β ladder)trans-79.8-39.2-172.8170.70000111.6W19 L33 I35 K38 Y136W19-V40 HydrophobicContact CH2-CG2 3.79Å; W19-V40 HydrophobicContact CZ2-CG2 3.81Å; L33-V40 HydrophobicContact CD2-CB 4.49Å; L33-V40 HydrophobicContact CD2-CG1 4.12Å; L33-V40 HydrophobicContact CG-CB 4.25Å; L33-V40 HydrophobicContact CG-CG1 4.42Å; L33-V40 PolarHBondContact O-N 3.22Å; I35-V40 HydrophobicContact CB-CG2 3.88Å; I35-V40 HydrophobicContact CD1-CG1 4.48Å; I35-V40 HydrophobicContact CD1-CG2 4.24Å; I35-V40 HydrophobicContact CG1-CG2 3.99Å; K38-V40 PolarHBondContact O-N 3.39Å; V40-Y136 HydrophobicContact CB-CD2 4.29Å; V40-Y136 HydrophobicContact CG1-CD2 4.31Å; V40-Y136 HydrophobicContact CG1-CG 4.5Å; V40-Y136 HydrophobicContact CG2-CD1 4.42Å; V40-Y136 HydrophobicContact CG2-CD2 4.1Å; V40-Y136 HydrophobicContact CG2-CE2 4.37Å; V40-Y136 HydrophobicContact CG2-CG 4.13Å
41M97.8Very high97.7Very high11 Ų1135.1 Ų35.15%0.05419%0.191CC..EExtended strand (participates in β ladder)trans-153.6138.7179.5-17166.8-161.500111L33 E45 M49 M70 I72L33-M41 HydrophobicContact CB-CB 4.14Å; L33-M41 HydrophobicContact CD2-CB 4.42Å; L33-M41 PolarHBondContact N-O 2.95Å; L33-M41 PolarHBondContact O-N 3.33Å; M41-E45 HydrophobicContact CE-CB 3.96Å; M41-E45 WeakPolarHBondContact CE-OE2 3.18Å; M41-M49 HydrophobicContact CE-CE 4.2Å; M41-M49 HydrophobicContact CE-CG 3.32Å; M41-M49 HydrophobicContact CE-SD 3.58Å; M41-M49 VanDerWaalsContact CE-SD 3.58Å; M41-M49 HydrophobicContact SD-SD 4.49Å; M41-M70 HydrophobicContact CB-CG 3.91Å; M41-M70 HydrophobicContact CB-SD 4.03Å; M41-M70 HydrophobicContact CG-CB 3.98Å; M41-M70 HydrophobicContact CG-CG 3.71Å; M41-M70 HydrophobicContact CG-SD 3.81Å; M41-I72 HydrophobicContact CE-CD1 3.88Å
42E98.3Very high97.8Very high12 Ų1232.9 Ų32.96%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-132.6142.7177.2-60.2-176.3-175.300112.2T31 H32 W44 E45 Y221T31-E42 WeakPolarHBondContact O-CA 3.3Å; H32-E42 IonicContact CD2-OE1 3.28Å; H32-E42 IonicContact NE2-OE2 2.77Å; E42-W44 VanDerWaalsContact C-N 3.26Å; E42-W44 HydrophobicContact CB-CG 4.47Å; E42-W44 PolarHBondContact O-N 2.75Å; E42-W44 PolarHBondContact OE2-NE1 3.3Å; E42-E45 WeakPolarHBondContact O-CB 3.38Å; E42-E45 WeakPolarHBondContact O-CG 3.45Å; E42-E45 PolarHBondContact O-N 3.08Å; E42-E45 VanDerWaalsContact O-N 3.16Å; E42-Y221 HydrophobicContact CG-CE1 4.37Å; E42-Y221 WeakPolarHBondContact CG-OH 3.5Å
43R98.3Very high97.8Very high88 Ų8830.3 Ų30.333%0.33217%0.166SC..G310 helixtrans-70-18.2-171.8-168.8173.1-66.6-77.73114.1D30 T31 E45 T46 I72D30-R43 PolarHBondContact O-NE 2.87Å; D30-R43 PolarHBondContact O-NH2 2.96Å; D30-R43 IonicContact OD2-NH2 3.66Å; D30-R43 PolarHBondContact OD2-NH2 3.31Å; T31-R43 PolarHBondContact O-N 2.89Å; R43-E45 PolarHBondContact O-N 2.79Å; R43-E45 VanDerWaalsContact O-N 3.17Å; R43-T46 WeakPolarHBondContact O-CB 3.41Å; R43-T46 PolarHBondContact O-N 2.82Å; R43-T46 VanDerWaalsContact O-N 3.08Å; R43-T46 PolarHBondContact O-OG1 3.25Å; R43-I72 HydrophobicContact CB-CD1 4.46Å; R43-I72 HydrophobicContact CG-CD1 4.36Å
44W98.4Very high97.8Very high43 Ų4333.2 Ų33.216%0.16318%0.184CC..G310 helixtrans-61-23.1174.171.5-98.3000112E42 T46 P47 I213 P215 P216 Y221 Y222 M227E42-W44 VanDerWaalsContact C-N 3.26Å; E42-W44 HydrophobicContact CB-CG 4.47Å; E42-W44 PolarHBondContact O-N 2.75Å; E42-W44 PolarHBondContact OE2-NE1 3.3Å; W44-T46 PolarHBondContact O-N 2.88Å; W44-P47 WeakPolarHBondContact O-CD 3.48Å; W44-I213 HydrophobicContact CE3-CD1 3.91Å; W44-I213 HydrophobicContact CE3-CG1 4.31Å; W44-I213 HydrophobicContact CZ3-CD1 3.78Å; W44-I213 HydrophobicContact CZ3-CG1 4.19Å; W44-I213 HydrophobicContact CZ3-CG2 4.49Å; W44-P215 HydrophobicContact CE3-CB 4.28Å; W44-P215 HydrophobicContact CH2-CB 3.86Å; W44-P215 HydrophobicContact CH2-CG 4.01Å; W44-P215 HydrophobicContact CZ2-CB 4.27Å; W44-P215 HydrophobicContact CZ3-CB 3.86Å; W44-P215 HydrophobicContact CZ3-CG 3.9Å; W44-P216 HydrophobicContact CB-CG 3.81Å; W44-P216 HydrophobicContact CD2-CG 4.36Å; W44-P216 HydrophobicContact CG-CG 3.68Å; W44-Y221 AromaticContact CZ2-CE2 3.95Å; W44-Y221 HydrophobicContact CZ2-CE2 3.95Å; W44-Y221 AromaticContact CZ2-CZ 3.97Å; W44-Y221 PolarHBondContact NE1-OH 2.93Å; W44-Y222 HydrophobicContact CH2-CD1 4.17Å; W44-Y222 HydrophobicContact CH2-CG 4.31Å; W44-M227 HydrophobicContact CH2-CE 3.32Å; W44-M227 HydrophobicContact CZ3-CE 3.49Å; W44-M227 VanDerWaalsContact CZ3-CE 3.49Å
45E98.4Very high97.9Very high5 Ų530.3 Ų30.32%0.02317%0.171CC..G310 helixtrans-72.5-4.6177.2-58177.7-155.600113.7M41 E42 R43 P47 Y48 M49 L170 Y221M41-E45 HydrophobicContact CE-CB 3.96Å; M41-E45 WeakPolarHBondContact CE-OE2 3.18Å; E42-E45 WeakPolarHBondContact O-CB 3.38Å; E42-E45 WeakPolarHBondContact O-CG 3.45Å; E42-E45 PolarHBondContact O-N 3.08Å; E42-E45 VanDerWaalsContact O-N 3.16Å; R43-E45 PolarHBondContact O-N 2.79Å; R43-E45 VanDerWaalsContact O-N 3.17Å; E45-P47 VanDerWaalsContact C-CD 3.48Å; E45-Y48 WeakPolarHBondContact O-CA 3.43Å; E45-Y48 WeakPolarHBondContact O-CB 3.42Å; E45-Y48 PolarHBondContact O-N 2.72Å; E45-M49 HydrophobicContact CB-CG 4.25Å; E45-M49 PolarHBondContact O-N 3.13Å; E45-L170 HydrophobicContact CG-CD1 4.2Å; E45-L170 VanDerWaalsContact OE2-CD1 3.28Å; E45-L170 WeakPolarHBondContact OE2-CD1 3.19Å; E45-Y221 PolarHBondContact OE1-OH 3.01Å
46T98.8Very high97.9Very high34 Ų3430.2 Ų30.221%0.20917%0.171CC..Hα-helixtrans-48.1-48.3-173.5-640000114.6R43 W44 Y48 M49 H50 I72R43-T46 WeakPolarHBondContact O-CB 3.41Å; R43-T46 PolarHBondContact O-N 2.82Å; R43-T46 VanDerWaalsContact O-N 3.08Å; R43-T46 PolarHBondContact O-OG1 3.25Å; W44-T46 PolarHBondContact O-N 2.88Å; T46-Y48 PolarHBondContact O-N 3.43Å; T46-M49 PolarHBondContact O-N 3.37Å; T46-H50 VanDerWaalsContact CG2-CE1 3.49Å; T46-H50 WeakPolarHBondContact CG2-CE1 3.26Å; T46-H50 PolarHBondContact O-CD2 3.27Å; T46-H50 VanDerWaalsContact O-CG 3.25Å; T46-H50 PolarHBondContact O-N 2.79Å; T46-I72 HydrophobicContact CG2-CG2 3.93Å
47P98.7Very high98.1Very high66 Ų6626.2 Ų26.243%0.42915%0.152SC..Hα-helixtrans-60.2-35.2178.2-23.235.8000112.8W44 E45 S51 M211W44-P47 WeakPolarHBondContact O-CD 3.48Å; E45-P47 VanDerWaalsContact C-CD 3.48Å; P47-S51 PolarHBondContact O-N 2.81Å; P47-M211 HydrophobicContact CB-CE 3.47Å; P47-M211 VanDerWaalsContact CB-CE 3.47Å
48Y98.9Very high98.3Very high0 Ų026.9 Ų26.90%015%0.148CC..Hα-helixtrans-75.5-44.2179.7177.7-120000112.3E45 T46 H50 S51 L52 C168 L170 W173 M211 M227 I228 T229E45-Y48 WeakPolarHBondContact O-CA 3.43Å; E45-Y48 WeakPolarHBondContact O-CB 3.42Å; E45-Y48 PolarHBondContact O-N 2.72Å; T46-Y48 PolarHBondContact O-N 3.43Å; Y48-H50 PolarHBondContact O-N 2.65Å; Y48-S51 WeakPolarHBondContact O-CA 3.37Å; Y48-S51 WeakPolarHBondContact O-CB 3.29Å; Y48-S51 PolarHBondContact O-N 2.92Å; Y48-L52 HydrophobicContact CD1-CD1 4.35Å; Y48-L52 HydrophobicContact CE1-CD1 3.79Å; Y48-L52 HydrophobicContact CE1-CG 4.33Å; Y48-L52 HydrophobicContact CE2-CD2 4.29Å; Y48-L52 HydrophobicContact CE2-CG 4.27Å; Y48-L52 PolarHBondContact O-N 2.94Å; Y48-L52 VanDerWaalsContact O-N 3.07Å; Y48-C168 HydrophobicContact CE1-CB 3.97Å; Y48-C168 WeakPolarHBondContact OH-CB 3.37Å; Y48-L170 HydrophobicContact CD1-CD1 4.2Å; Y48-L170 HydrophobicContact CD1-CD2 4.24Å; Y48-L170 HydrophobicContact CE1-CD1 4.2Å; Y48-L170 HydrophobicContact CE1-CD2 3.67Å; Y48-L170 HydrophobicContact CE1-CG 4.19Å; Y48-W173 VanDerWaalsContact OH-CZ3 3.31Å; Y48-W173 WeakPolarHBondContact OH-CZ3 3.49Å; Y48-M211 HydrophobicContact CD2-SD 4.12Å; Y48-M227 HydrophobicContact CD1-CG 4.3Å; Y48-M227 HydrophobicContact CD1-SD 4.19Å; Y48-M227 HydrophobicContact CD2-CB 3.35Å; Y48-M227 HydrophobicContact CD2-CG 3.81Å; Y48-M227 HydrophobicContact CE1-SD 4.39Å; Y48-M227 HydrophobicContact CE2-CB 3.68Å; Y48-M227 HydrophobicContact CE2-CG 4.36Å; Y48-M227 HydrophobicContact CG-CB 3.87Å; Y48-M227 HydrophobicContact CG-CG 3.76Å; Y48-M227 HydrophobicContact CG-SD 4.25Å; Y48-I228 PolarHBondContact OH-O 3.09Å; Y48-I228 VanDerWaalsContact OH-O 3.07Å; Y48-T229 WeakPolarHBondContact CE2-OG1 3.38Å
49M98.9Very high98.5Very high1 Ų131.5 Ų31.51%0.00517%0.168CC..Hα-helixtrans-56.1-37.8171.4-69.7-60.8113.100112.3M41 E45 T46 S51 L52 A53 I72 A73 D134M41-M49 HydrophobicContact CE-CE 4.2Å; M41-M49 HydrophobicContact CE-CG 3.32Å; M41-M49 HydrophobicContact CE-SD 3.58Å; M41-M49 VanDerWaalsContact CE-SD 3.58Å; M41-M49 HydrophobicContact SD-SD 4.49Å; E45-M49 HydrophobicContact CB-CG 4.25Å; E45-M49 PolarHBondContact O-N 3.13Å; T46-M49 PolarHBondContact O-N 3.37Å; M49-S51 VanDerWaalsContact C-N 3.3Å; M49-S51 PolarHBondContact O-N 2.97Å; M49-L52 HydrophobicContact CE-CD1 3.6Å; M49-L52 PolarHBondContact O-N 2.81Å; M49-L52 HydrophobicContact SD-CD1 4.24Å; M49-A53 WeakPolarHBondContact O-CB 3.48Å; M49-A53 PolarHBondContact O-N 3.33Å; M49-I72 HydrophobicContact CB-CB 4.23Å; M49-I72 HydrophobicContact CB-CG2 3.65Å; M49-I72 HydrophobicContact CG-CB 4.31Å; M49-I72 HydrophobicContact CG-CG2 4.09Å; M49-A73 HydrophobicContact CB-CB 4.26Å; M49-A73 HydrophobicContact SD-CB 4.22Å; M49-D134 WeakPolarHBondContact CE-OD2 3.44Å; M49-D134 VanDerWaalsContact SD-OD2 3.34Å
50H98.9Very high98.6Very high68 Ų6831.6 Ų31.632%0.31517%0.171SC..Hα-helixtrans-65.4-34.1174.3-69.3178.2000113.1T46 Y48 T54 K76T46-H50 VanDerWaalsContact CG2-CE1 3.49Å; T46-H50 WeakPolarHBondContact CG2-CE1 3.26Å; T46-H50 PolarHBondContact O-CD2 3.27Å; T46-H50 VanDerWaalsContact O-CG 3.25Å; T46-H50 PolarHBondContact O-N 2.79Å; Y48-H50 PolarHBondContact O-N 2.65Å; H50-T54 WeakPolarHBondContact O-CB 3.37Å; H50-T54 PolarHBondContact O-N 3.45Å; H50-T54 PolarHBondContact O-OG1 3.03Å; H50-K76 HydrophobicContact CB-CD 4.25Å; H50-K76 HydrophobicContact CB-CG 3.98Å
51S98.9Very high98.7Very high28 Ų2830.9 Ų30.920%0.19617%0.17CC..Hα-helixtrans-65.2-47.1176-168.90000111.1P47 Y48 M49 T54 V55 T229P47-S51 PolarHBondContact O-N 2.81Å; Y48-S51 WeakPolarHBondContact O-CA 3.37Å; Y48-S51 WeakPolarHBondContact O-CB 3.29Å; Y48-S51 PolarHBondContact O-N 2.92Å; M49-S51 VanDerWaalsContact C-N 3.3Å; M49-S51 PolarHBondContact O-N 2.97Å; S51-T54 WeakPolarHBondContact O-CB 3.49Å; S51-T54 PolarHBondContact O-N 3.15Å; S51-V55 PolarHBondContact O-N 3.45Å; S51-V55 VanDerWaalsContact O-N 3.17Å; S51-T229 WeakPolarHBondContact CB-OG1 3.35Å; S51-T229 WeakPolarHBondContact OG-CB 3.33Å; S51-T229 PolarHBondContact OG-OG1 3.38Å
52L98.9Very high98.7Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-60.3-51174.3-62172.6000111.4Y48 M49 T54 V55 A56 L132 T166 C168 T229Y48-L52 HydrophobicContact CD1-CD1 4.35Å; Y48-L52 HydrophobicContact CE1-CD1 3.79Å; Y48-L52 HydrophobicContact CE1-CG 4.33Å; Y48-L52 HydrophobicContact CE2-CD2 4.29Å; Y48-L52 HydrophobicContact CE2-CG 4.27Å; Y48-L52 PolarHBondContact O-N 2.94Å; Y48-L52 VanDerWaalsContact O-N 3.07Å; M49-L52 HydrophobicContact CE-CD1 3.6Å; M49-L52 PolarHBondContact O-N 2.81Å; M49-L52 HydrophobicContact SD-CD1 4.24Å; L52-T54 PolarHBondContact O-N 3.08Å; L52-V55 PolarHBondContact O-N 2.84Å; L52-A56 PolarHBondContact O-N 2.86Å; L52-L132 HydrophobicContact CB-CD1 3.94Å; L52-L132 HydrophobicContact CB-CG 4.33Å; L52-T166 HydrophobicContact CB-CG2 4.26Å; L52-T166 HydrophobicContact CD2-CG2 4.35Å; L52-T166 VanDerWaalsContact CD2-OG1 3.3Å; L52-T166 WeakPolarHBondContact CD2-OG1 2.83Å; L52-T166 WeakPolarHBondContact O-CG2 3.19Å; L52-C168 HydrophobicContact CD1-CB 4.25Å; L52-C168 WeakPolarHBondContact CD1-SG 3.45Å; L52-T229 HydrophobicContact CD2-CG2 4.11Å
53A98.9Very high98.8Very high0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-55.7-39.3177.700000112.6M49 A56 A57 A73 K76 V77M49-A53 WeakPolarHBondContact O-CB 3.48Å; M49-A53 PolarHBondContact O-N 3.33Å; A53-A56 PolarHBondContact O-N 2.99Å; A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.4Å; A53-A57 PolarHBondContact O-N 3.27Å; A53-A73 HydrophobicContact CB-CB 4.47Å; A53-K76 HydrophobicContact CB-CB 3.67Å; A53-K76 HydrophobicContact CB-CG 3.71Å; A53-V77 HydrophobicContact CB-CG2 3.69Å
54T98.9Very high98.8Very high63 Ų6328 Ų2839%0.38716%0.158SC..Hα-helixtrans-63.1-41.9176.6-58.60000111.8H50 S51 L52 S58 F80H50-T54 WeakPolarHBondContact O-CB 3.37Å; H50-T54 PolarHBondContact O-N 3.45Å; H50-T54 PolarHBondContact O-OG1 3.03Å; S51-T54 WeakPolarHBondContact O-CB 3.49Å; S51-T54 PolarHBondContact O-N 3.15Å; L52-T54 PolarHBondContact O-N 3.08Å; T54-S58 WeakPolarHBondContact O-CB 3.49Å; T54-S58 PolarHBondContact O-N 3.44Å; T54-S58 VanDerWaalsContact O-N 3.13Å; T54-F80 HydrophobicContact CG2-CZ 4.13Å; T54-F80 WeakPolarHBondContact OG1-CZ 3.28Å
55V98.9Very high98.8Very high16 Ų1626.1 Ų26.110%0.09715%0.151CC..Hα-helixtrans-66.9-50.4177.1174.50000110.6S51 L52 A57 S58 V164 T166 T229 T231S51-V55 PolarHBondContact O-N 3.45Å; S51-V55 VanDerWaalsContact O-N 3.17Å; L52-V55 PolarHBondContact O-N 2.84Å; V55-A57 VanDerWaalsContact C-N 3.32Å; V55-A57 PolarHBondContact O-N 3.49Å; V55-S58 VanDerWaalsContact O-CB 3.24Å; V55-S58 WeakPolarHBondContact O-CB 3.45Å; V55-S58 PolarHBondContact O-N 3.03Å; V55-S58 VanDerWaalsContact O-N 3.09Å; V55-S58 PolarHBondContact O-OG 2.99Å; V55-V164 HydrophobicContact CG1-CG2 3.63Å; V55-V164 WeakPolarHBondContact O-CG1 3.34Å; V55-T166 HydrophobicContact CB-CG2 4.18Å; V55-T166 HydrophobicContact CG1-CG2 4.24Å; V55-T229 HydrophobicContact CG2-CG2 3.62Å; V55-T231 HydrophobicContact CG1-CG2 4Å; V55-T231 WeakPolarHBondContact CG1-OG1 3.36Å; V55-T231 WeakPolarHBondContact CG2-OG1 3.19Å
56A98.9Very high98.9Very high0 Ų026 Ų260%015%0.15CC..Hα-helixtrans-59.1-42.6-178.800000111.9L52 A53 S58 V63 G130 L132 T166L52-A56 PolarHBondContact O-N 2.86Å; A53-A56 PolarHBondContact O-N 2.99Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.45Å; A56-V63 HydrophobicContact CB-CG1 4.11Å; A56-G130 VanDerWaalsContact O-CA 3.28Å; A56-G130 WeakPolarHBondContact O-CA 3.48Å; A56-L132 HydrophobicContact CB-CB 3.8Å; A56-L132 HydrophobicContact CB-CD1 4.27Å; A56-L132 HydrophobicContact CB-CG 4.46Å; A56-T166 HydrophobicContact CB-CG2 3.97Å
57A98.9Very high98.9Very high6 Ų625.1 Ų25.15%0.0515%0.148CC..G310 helixtrans-83.1-0.6179.200000114.3A53 V55 K59 G60 V63 F80 I82A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.4Å; A53-A57 PolarHBondContact O-N 3.27Å; V55-A57 VanDerWaalsContact C-N 3.32Å; V55-A57 PolarHBondContact O-N 3.49Å; A57-K59 PolarHBondContact O-N 2.96Å; A57-G60 PolarHBondContact O-N 3.26Å; A57-V63 HydrophobicContact CB-CG2 4.47Å; A57-F80 HydrophobicContact CB-CB 3.82Å; A57-F80 HydrophobicContact CB-CD2 3.51Å; A57-F80 HydrophobicContact CB-CE2 4.3Å; A57-F80 HydrophobicContact CB-CG 3.89Å; A57-I82 HydrophobicContact CB-CG2 4.02Å
58S98.8Very high98.9Very high68 Ų6822.2 Ų22.248%0.47613%0.129SC..G310 helixtrans-63.6-15.2-171.867.10000114.9T54 V55 A56T54-S58 WeakPolarHBondContact O-CB 3.49Å; T54-S58 PolarHBondContact O-N 3.44Å; T54-S58 VanDerWaalsContact O-N 3.13Å; V55-S58 VanDerWaalsContact O-CB 3.24Å; V55-S58 WeakPolarHBondContact O-CB 3.45Å; V55-S58 PolarHBondContact O-N 3.03Å; V55-S58 VanDerWaalsContact O-N 3.09Å; V55-S58 PolarHBondContact O-OG 2.99Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.45Å
59K98.7Very high98.8Very high111 Ų11122.9 Ų22.948%0.48314%0.135SC..G310 helixtrans-102.7-1176.6-56.3-54.8179.5-172.70113.5A57 D129 G162 V164A57-K59 PolarHBondContact O-N 2.96Å; K59-D129 HydrophobicContact CB-CB 3.91Å; K59-G162 WeakPolarHBondContact CE-O 3.46Å; K59-V164 HydrophobicContact CG-CB 4.47Å; K59-V164 HydrophobicContact CG-CG1 3.95Å
60G98.6Very high98.8Very high12 Ų1223 Ų2312%0.12414%0.136CC..  trans61-141.5-170.200000110.8A57 P81A57-G60 PolarHBondContact O-N 3.26Å; G60-P81 WeakPolarHBondContact CA-O 3.31Å
61G98.8Very high98.8Very high17 Ų1720 Ų2018%0.17512%0.123CC..SBendtrans60.3-138.9170.400000113E83 E84 D129G61-E83 WeakPolarHBondContact O-CB 3.5Å; G61-E83 PolarHBondContact O-N 3.03Å; G61-E84 PolarHBondContact O-N 3.17Å; G61-D129 WeakPolarHBondContact CA-OD2 3.46Å
62R98.9Very high98.8Very high51 Ų5119.2 Ų19.219%0.19212%0.116CC..EExtended strand (participates in β ladder)trans-94.6119.2-178.6-58.6-169.4-173.399.319.2111E83 E84 H127 F128 D129 G130R62-E83 IonicContact CZ-OE1 3.21Å; R62-E83 IonicContact NE-OE1 3.77Å; R62-E83 IonicContact NH2-OE1 2.85Å; R62-E83 PolarHBondContact NH2-OE1 3.09Å; R62-E83 IonicContact NH2-OE2 3.95Å; R62-E84 WeakPolarHBondContact CA-O 3.5Å; R62-E84 HydrophobicContact CG-CB 4.13Å; R62-E84 HydrophobicContact CG-CG 4.35Å; R62-E84 IonicContact NE-OE2 3.74Å; R62-E84 PolarHBondContact NE-OE2 3.31Å; R62-H127 WeakPolarHBondContact CD-NE2 3.2Å; R62-H127 PolarHBondContact NH1-CE1 3.44Å; R62-H127 VanDerWaalsContact NH1-CE1 3.33Å; R62-F128 HydrophobicContact CB-CD1 4.06Å; R62-F128 CarbonylContact O-C 3.58Å; R62-F128 WeakPolarHBondContact O-CA 3.37Å; R62-D129 PolarHBondContact N-OD2 2.88Å; R62-D129 PolarHBondContact O-N 2.99Å; R62-G130 PolarHBondContact O-N 3.46Å
63V98.9Very high98.8Very high0 Ų019.4 Ų19.40%012%0.118CC..EExtended strand (participates in β ladder)trans-105.1130.5175.9-177.90000109.4A56 A57 V77 I82 E84 H85 W86 G130A56-V63 HydrophobicContact CB-CG1 4.11Å; A57-V63 HydrophobicContact CB-CG2 4.47Å; V63-V77 HydrophobicContact CB-CG1 4.26Å; V63-V77 HydrophobicContact CG1-CG1 4.1Å; V63-V77 HydrophobicContact CG2-CG1 4.45Å; V63-I82 HydrophobicContact CG2-CB 4.45Å; V63-I82 HydrophobicContact CG2-CG2 3.8Å; V63-E84 PolarHBondContact N-O 3.22Å; V63-H85 WeakPolarHBondContact O-CA 3.49Å; V63-W86 PolarHBondContact O-N 2.94Å; V63-G130 CarbonylContact C-O 3.5Å; V63-G130 WeakPolarHBondContact CA-O 3.47Å
64L98.9Very high98.8Very high0 Ų019.4 Ų19.40%012%0.118CC..EExtended strand (participates in β ladder)trans-103123.6169.6175.265.2000109.8I66 W86 I88 L123 F128 G130 I131 L132 M158L64-I66 HydrophobicContact CD1-CG1 4.4Å; L64-I66 HydrophobicContact CD2-CD1 4.1Å; L64-I66 HydrophobicContact CD2-CG1 4.28Å; L64-I66 HydrophobicContact CG-CD1 4.37Å; L64-I66 HydrophobicContact CG-CG1 4.02Å; L64-W86 CarbonylContact C-O 3.59Å; L64-W86 WeakPolarHBondContact CA-O 3.3Å; L64-W86 HydrophobicContact CD1-CB 3.88Å; L64-I88 HydrophobicContact CD1-CD1 4.06Å; L64-I88 HydrophobicContact CD1-CG1 4.06Å; L64-L123 HydrophobicContact CD1-CD1 4.32Å; L64-L123 HydrophobicContact CD2-CD1 4.34Å; L64-F128 HydrophobicContact CB-CD1 3.61Å; L64-F128 HydrophobicContact CB-CD2 4.4Å; L64-F128 HydrophobicContact CB-CE1 3.79Å; L64-F128 HydrophobicContact CB-CG 3.93Å; L64-F128 HydrophobicContact CB-CZ 4.26Å; L64-F128 HydrophobicContact CD1-CE1 4.45Å; L64-F128 HydrophobicContact CD1-CZ 4.41Å; L64-F128 HydrophobicContact CD2-CD2 4.34Å; L64-F128 HydrophobicContact CD2-CE2 4.18Å; L64-F128 HydrophobicContact CD2-CZ 4.34Å; L64-G130 PolarHBondContact N-O 3.09Å; L64-I131 HydrophobicContact CB-CG1 4.21Å; L64-I131 HydrophobicContact CD2-CD1 4.5Å; L64-I131 HydrophobicContact CD2-CG1 4.43Å; L64-I131 HydrophobicContact CD2-CG2 4.49Å; L64-I131 CarbonylContact O-C 3.6Å; L64-I131 VanDerWaalsContact O-CA 3.28Å; L64-I131 WeakPolarHBondContact O-CA 3.16Å; L64-L132 PolarHBondContact O-N 3.23Å; L64-M158 HydrophobicContact CD2-CE 3.32Å
65E98.9Very high98.8Very high3 Ų319.9 Ų19.91%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-110133.6170.6-177.3167.3148.500109.4A74 H85 W86 I87 I88 L132E65-A74 WeakPolarHBondContact OE1-CB 3.28Å; E65-A74 PolarHBondContact OE1-N 2.77Å; E65-A74 WeakPolarHBondContact OE2-CA 3.39Å; E65-A74 PolarHBondContact OE2-N 3.47Å; E65-H85 IonicContact OE2-CE1 3.66Å; E65-H85 IonicContact OE2-NE2 3.47Å; E65-H85 PolarHBondContact OE2-NE2 3.09Å; E65-W86 PolarHBondContact N-O 2.91Å; E65-I87 HydrophobicContact CB-CG1 4.29Å; E65-I87 HydrophobicContact CB-CG2 4.5Å; E65-I87 WeakPolarHBondContact O-CA 3.46Å; E65-I88 PolarHBondContact O-N 2.79Å; E65-L132 CarbonylContact C-O 3.55Å; E65-L132 WeakPolarHBondContact CA-O 3.34Å; E65-L132 HydrophobicContact CG-CD2 4.31Å
66I98.9Very high98.8Very high2 Ų221.8 Ų21.81%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-120.6109.5-179.6-51.3174.6000107.8L64 I88 W116 V120 L132 Y133 D134 T135 F150L64-I66 HydrophobicContact CD1-CG1 4.4Å; L64-I66 HydrophobicContact CD2-CD1 4.1Å; L64-I66 HydrophobicContact CD2-CG1 4.28Å; L64-I66 HydrophobicContact CG-CD1 4.37Å; L64-I66 HydrophobicContact CG-CG1 4.02Å; I66-I88 HydrophobicContact CG1-CD1 4.32Å; I66-I88 HydrophobicContact CG2-CB 4.39Å; I66-W116 HydrophobicContact CG2-CB 3.67Å; I66-W116 HydrophobicContact CG2-CG 4.18Å; I66-V120 HydrophobicContact CD1-CG2 4.48Å; I66-L132 PolarHBondContact N-O 3Å; I66-Y133 HydrophobicContact CB-CD2 4.03Å; I66-Y133 HydrophobicContact CD1-CD2 3.84Å; I66-Y133 HydrophobicContact CG1-CD2 4.5Å; I66-Y133 HydrophobicContact CG2-CD2 4.11Å; I66-Y133 HydrophobicContact CG2-CE2 4.2Å; I66-D134 CarbonylContact O-C 3.59Å; I66-D134 PolarHBondContact O-N 2.67Å; I66-T135 HydrophobicContact CB-CG2 4.24Å; I66-T135 HydrophobicContact CG2-CG2 3.53Å; I66-T135 WeakPolarHBondContact O-CG2 3.28Å; I66-F150 HydrophobicContact CD1-CD1 4.26Å; I66-F150 HydrophobicContact CD1-CD2 3.81Å; I66-F150 HydrophobicContact CD1-CE1 3.72Å; I66-F150 HydrophobicContact CD1-CE2 3.21Å; I66-F150 HydrophobicContact CD1-CG 4.3Å; I66-F150 HydrophobicContact CD1-CZ 3.17Å
67G98.6Very high98.8Very high15 Ų1521.8 Ų21.816%0.15513%0.128CC..  trans94.4114.6-167.100000111.2I88G67-I88 PolarHBondContact N-O 2.91Å
68F98.9Very high98.8Very high5 Ų522 Ų222%0.02213%0.128CC..  trans-92.6-36.1-178.6179.6-113.5000112.9M70 A71 A74 I87 E89 V94 R97 L98 W101F68-M70 PolarHBondContact O-N 3.48Å; F68-M70 VanDerWaalsContact O-N 3.12Å; F68-A71 HydrophobicContact CD2-CB 4.41Å; F68-A71 HydrophobicContact CE1-CB 3.89Å; F68-A71 HydrophobicContact CE2-CB 3.57Å; F68-A71 HydrophobicContact CZ-CB 3.28Å; F68-A71 PolarHBondContact O-N 3.22Å; F68-A74 HydrophobicContact CD2-CB 3.98Å; F68-A74 HydrophobicContact CE2-CB 3.76Å; F68-I87 HydrophobicContact CB-CG2 3.89Å; F68-I87 HydrophobicContact CD2-CD1 4.06Å; F68-I87 HydrophobicContact CD2-CG2 3.94Å; F68-I87 HydrophobicContact CE2-CD1 4.23Å; F68-I87 HydrophobicContact CG-CG2 4.32Å; F68-E89 HydrophobicContact CB-CB 4.11Å; F68-E89 HydrophobicContact CB-CG 4.3Å; F68-E89 PolarHBondContact N-OE2 2.94Å; F68-V94 HydrophobicContact CB-CG1 4.13Å; F68-V94 HydrophobicContact CD1-CG1 3.92Å; F68-R97 HydrophobicContact CE1-CB 4.41Å; F68-R97 HydrophobicContact CE1-CG 4.19Å; F68-L98 HydrophobicContact CD1-CB 3.65Å; F68-L98 HydrophobicContact CD2-CB 4.34Å; F68-L98 HydrophobicContact CD2-CD1 3.75Å; F68-L98 HydrophobicContact CD2-CG 4.48Å; F68-L98 VanDerWaalsContact CE1-CA 3.46Å; F68-L98 HydrophobicContact CE1-CB 3.75Å; F68-L98 HydrophobicContact CE2-CB 4.41Å; F68-L98 HydrophobicContact CE2-CD1 3.66Å; F68-L98 HydrophobicContact CG-CB 3.94Å; F68-L98 HydrophobicContact CG-CD1 4.17Å; F68-L98 HydrophobicContact CG-CG 4.43Å; F68-L98 HydrophobicContact CZ-CB 4.12Å; F68-L98 HydrophobicContact CZ-CD1 4.05Å; F68-W101 AromaticContact CE2-CD2 3.87Å; F68-W101 HydrophobicContact CE2-CD2 3.87Å; F68-W101 AromaticContact CE2-CE3 3.72Å; F68-W101 HydrophobicContact CE2-CE3 3.72Å; F68-W101 HydrophobicContact CE2-CG 4.35Å; F68-W101 HydrophobicContact CE2-CZ3 4.07Å; F68-W101 HydrophobicContact CZ-CB 3.86Å; F68-W101 AromaticContact CZ-CD2 3.76Å; F68-W101 HydrophobicContact CZ-CD2 3.76Å; F68-W101 AromaticContact CZ-CE3 3.92Å; F68-W101 HydrophobicContact CZ-CE3 3.92Å; F68-W101 AromaticContact CZ-CG 3.75Å; F68-W101 HydrophobicContact CZ-CG 3.75Å
69G98.5Very high98.8Very high14 Ų1421.9 Ų21.914%0.14413%0.127CC..THydrogen-bonded Turntrans53.1-114.3175.900000114.1Y26Y26-G69 PolarHBondContact OH-O 3.11Å
70M98.8Very high98.8Very high5 Ų518.9 Ų18.93%0.02511%0.114CC..THydrogen-bonded Turntrans-100.612-179.6-66.3-178.576.700113.7Y26 D30 L33 M41 F68 I72Y26-M70 HydrophobicContact CD1-CG 4.41Å; Y26-M70 HydrophobicContact CE1-CG 4.01Å; D30-M70 VanDerWaalsContact C-CE 3.47Å; D30-M70 WeakPolarHBondContact O-CE 3.2Å; L33-M70 HydrophobicContact CB-CG 3.85Å; L33-M70 HydrophobicContact CB-SD 4.21Å; M41-M70 HydrophobicContact CB-CG 3.91Å; M41-M70 HydrophobicContact CB-SD 4.03Å; M41-M70 HydrophobicContact CG-CB 3.98Å; M41-M70 HydrophobicContact CG-CG 3.71Å; M41-M70 HydrophobicContact CG-SD 3.81Å; F68-M70 PolarHBondContact O-N 3.48Å; F68-M70 VanDerWaalsContact O-N 3.12Å; M70-I72 HydrophobicContact CB-CD1 4.01Å; M70-I72 HydrophobicContact CB-CG1 4Å; M70-I72 PolarHBondContact O-N 2.8Å
71A98.8Very high98.8Very high4 Ų423.9 Ų23.93%0.03315%0.145CC..SBendtrans61.219.9-177.600000115F68 A74 T75F68-A71 HydrophobicContact CD2-CB 4.41Å; F68-A71 HydrophobicContact CE1-CB 3.89Å; F68-A71 HydrophobicContact CE2-CB 3.57Å; F68-A71 HydrophobicContact CZ-CB 3.28Å; F68-A71 PolarHBondContact O-N 3.22Å; A71-A74 HydrophobicContact CB-CB 4.45Å; A71-T75 WeakPolarHBondContact O-CB 3.24Å; A71-T75 PolarHBondContact O-N 3.22Å; A71-T75 PolarHBondContact O-OG1 3.04Å
72I98.9Very high98.8Very high11 Ų1123.8 Ų23.86%0.05614%0.14CC..Hα-helixtrans-72.1-53.5-176.5-60.4169.3000110.2M41 R43 T46 M49 M70 K76M41-I72 HydrophobicContact CE-CD1 3.88Å; R43-I72 HydrophobicContact CB-CD1 4.46Å; R43-I72 HydrophobicContact CG-CD1 4.36Å; T46-I72 HydrophobicContact CG2-CG2 3.93Å; M49-I72 HydrophobicContact CB-CB 4.23Å; M49-I72 HydrophobicContact CB-CG2 3.65Å; M49-I72 HydrophobicContact CG-CB 4.31Å; M49-I72 HydrophobicContact CG-CG2 4.09Å; M70-I72 HydrophobicContact CB-CD1 4.01Å; M70-I72 HydrophobicContact CB-CG1 4Å; M70-I72 PolarHBondContact O-N 2.8Å; I72-K76 PolarHBondContact O-N 3.44Å
73A98.9Very high98.8Very high5 Ų526 Ų264%0.04115%0.153CC..Hα-helixtrans-62.5-49.2172.800000110.4M49 A53 T75 K76 V77 L132M49-A73 HydrophobicContact CB-CB 4.26Å; M49-A73 HydrophobicContact SD-CB 4.22Å; A53-A73 HydrophobicContact CB-CB 4.47Å; A73-T75 PolarHBondContact O-N 3.04Å; A73-K76 CarbonylContact O-C 3.58Å; A73-K76 WeakPolarHBondContact O-CA 3.28Å; A73-K76 WeakPolarHBondContact O-CB 3.4Å; A73-K76 PolarHBondContact O-N 3.07Å; A73-V77 PolarHBondContact O-N 2.82Å; A73-L132 HydrophobicContact CB-CD1 3.89Å
74A98.9Very high98.8Very high0 Ų027.1 Ų27.10%016%0.158CC..Hα-helixtrans-54.3-47.5179.500000114.2E65 F68 A71 K76 V77 E78 I87 W101E65-A74 WeakPolarHBondContact OE1-CB 3.28Å; E65-A74 PolarHBondContact OE1-N 2.77Å; E65-A74 WeakPolarHBondContact OE2-CA 3.39Å; E65-A74 PolarHBondContact OE2-N 3.47Å; F68-A74 HydrophobicContact CD2-CB 3.98Å; F68-A74 HydrophobicContact CE2-CB 3.76Å; A71-A74 HydrophobicContact CB-CB 4.45Å; A74-K76 PolarHBondContact O-N 3.18Å; A74-V77 WeakPolarHBondContact O-CB 3.19Å; A74-V77 PolarHBondContact O-N 3.03Å; A74-E78 WeakPolarHBondContact O-CG 3.12Å; A74-E78 PolarHBondContact O-N 3.46Å; A74-I87 HydrophobicContact CB-CD1 4.21Å; A74-W101 HydrophobicContact CB-CH2 3.82Å; A74-W101 HydrophobicContact CB-CZ2 3.9Å; A74-W101 HydrophobicContact CB-CZ3 4.47Å
75T98.9Very high98.8Very high72 Ų7227.1 Ų27.144%0.44216%0.158SC..Hα-helixtrans-63.9-32.5177.2-58.80000111.4A71 A73 S79 W101A71-T75 WeakPolarHBondContact O-CB 3.24Å; A71-T75 PolarHBondContact O-N 3.22Å; A71-T75 PolarHBondContact O-OG1 3.04Å; A73-T75 PolarHBondContact O-N 3.04Å; T75-S79 PolarHBondContact O-N 2.83Å; T75-W101 PolarHBondContact OG1-NE1 3.22Å
76K98.9Very high98.8Very high57 Ų5729 Ų2925%0.24817%0.165CC..Hα-helixtrans-72.5-38.6174.9-173.366.2-174.6150.90112.1H50 A53 I72 A73 A74 E78 S79 F80H50-K76 HydrophobicContact CB-CD 4.25Å; H50-K76 HydrophobicContact CB-CG 3.98Å; A53-K76 HydrophobicContact CB-CB 3.67Å; A53-K76 HydrophobicContact CB-CG 3.71Å; I72-K76 PolarHBondContact O-N 3.44Å; A73-K76 CarbonylContact O-C 3.58Å; A73-K76 WeakPolarHBondContact O-CA 3.28Å; A73-K76 WeakPolarHBondContact O-CB 3.4Å; A73-K76 PolarHBondContact O-N 3.07Å; A74-K76 PolarHBondContact O-N 3.18Å; K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.02Å; K76-S79 PolarHBondContact NZ-OG 2.94Å; K76-S79 WeakPolarHBondContact O-CB 3.39Å; K76-S79 PolarHBondContact O-N 3.01Å; K76-S79 PolarHBondContact O-OG 3.28Å; K76-F80 HydrophobicContact CD-CE2 4.39Å; K76-F80 HydrophobicContact CG-CE2 3.95Å; K76-F80 HydrophobicContact CG-CZ 4.48Å; K76-F80 WeakPolarHBondContact O-CD2 3.48Å; K76-F80 VanDerWaalsContact O-CE2 3.32Å; K76-F80 WeakPolarHBondContact O-CE2 3.24Å
77V98.9Very high98.8Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-56.2-45.9172.11690000110.3A53 V63 A73 A74 S79 F80 I82 H85A53-V77 HydrophobicContact CB-CG2 3.69Å; V63-V77 HydrophobicContact CB-CG1 4.26Å; V63-V77 HydrophobicContact CG1-CG1 4.1Å; V63-V77 HydrophobicContact CG2-CG1 4.45Å; A73-V77 PolarHBondContact O-N 2.82Å; A74-V77 WeakPolarHBondContact O-CB 3.19Å; A74-V77 PolarHBondContact O-N 3.03Å; V77-S79 PolarHBondContact O-N 2.79Å; V77-S79 VanDerWaalsContact O-N 3.07Å; V77-F80 PolarHBondContact O-N 3.49Å; V77-I82 HydrophobicContact CG1-CD1 3.65Å; V77-H85 VanDerWaalsContact CG1-CE1 3.49Å; V77-H85 WeakPolarHBondContact CG1-CE1 3.32Å
78E98.8Very high98.8Very high9 Ų928.3 Ų28.34%0.04216%0.158CC..THydrogen-bonded Turntrans-63.7-12.2176.3-69.3-59.4138.500114.7A74 K76 F80 H85 W101 Q105 P106 H107A74-E78 WeakPolarHBondContact O-CG 3.12Å; A74-E78 PolarHBondContact O-N 3.46Å; K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.02Å; E78-F80 VanDerWaalsContact C-N 3.32Å; E78-H85 VanDerWaalsContact OE1-CB 3.23Å; E78-H85 WeakPolarHBondContact OE1-CB 3.14Å; E78-H85 IonicContact OE1-CG 2.73Å; E78-H85 IonicContact OE1-ND1 2.6Å; E78-H85 PolarHBondContact OE1-ND1 2.86Å; E78-W101 HydrophobicContact CG-CH2 3.51Å; E78-W101 HydrophobicContact CG-CZ2 3.65Å; E78-Q105 HydrophobicContact CG-CB 4.17Å; E78-Q105 HydrophobicContact CG-CG 4.13Å; E78-P106 HydrophobicContact CB-CG 4.28Å; E78-P106 WeakPolarHBondContact O-CG 3.35Å; E78-P106 WeakPolarHBondContact OE2-CD 3.35Å; E78-H107 PolarHBondContact O-CE1 3.45Å; E78-H107 VanDerWaalsContact O-CE1 3.22Å; E78-H107 WeakPolarHBondContact OE2-CB 3.42Å; E78-H107 IonicContact OE2-CE1 3.21Å; E78-H107 IonicContact OE2-CG 3.64Å; E78-H107 PolarHBondContact OE2-N 3.35Å; E78-H107 IonicContact OE2-ND1 2.88Å; E78-H107 PolarHBondContact OE2-ND1 2.93Å
79S98.8Very high98.8Very high67 Ų6728.8 Ų28.847%0.46916%0.16SC..THydrogen-bonded Turntrans-82.5-8.1173.978.50000114T75 K76 V77T75-S79 PolarHBondContact O-N 2.83Å; K76-S79 PolarHBondContact NZ-OG 2.94Å; K76-S79 WeakPolarHBondContact O-CB 3.39Å; K76-S79 PolarHBondContact O-N 3.01Å; K76-S79 PolarHBondContact O-OG 3.28Å; V77-S79 PolarHBondContact O-N 2.79Å; V77-S79 VanDerWaalsContact O-N 3.07Å
80F98.8Very high98.8Very high48 Ų4829 Ų2921%0.21116%0.159CC..SBendtrans-104.4157.9-178.5-63-67.5000111.7T54 A57 K76 V77 E78 I82 H107T54-F80 HydrophobicContact CG2-CZ 4.13Å; T54-F80 WeakPolarHBondContact OG1-CZ 3.28Å; A57-F80 HydrophobicContact CB-CB 3.82Å; A57-F80 HydrophobicContact CB-CD2 3.51Å; A57-F80 HydrophobicContact CB-CE2 4.3Å; A57-F80 HydrophobicContact CB-CG 3.89Å; K76-F80 HydrophobicContact CD-CE2 4.39Å; K76-F80 HydrophobicContact CG-CE2 3.95Å; K76-F80 HydrophobicContact CG-CZ 4.48Å; K76-F80 WeakPolarHBondContact O-CD2 3.48Å; K76-F80 VanDerWaalsContact O-CE2 3.32Å; K76-F80 WeakPolarHBondContact O-CE2 3.24Å; V77-F80 PolarHBondContact O-N 3.49Å; E78-F80 VanDerWaalsContact C-N 3.32Å; F80-I82 VanDerWaalsContact C-N 3.3Å; F80-I82 HydrophobicContact CB-CG2 4.43Å; F80-I82 PolarHBondContact O-N 2.95Å; F80-H107 PolarHBondContact O-CE1 2.9Å; F80-H107 PolarHBondContact O-NE2 3.26Å
81P98.4Very high98.8Very high117 Ų11728.8 Ų28.876%0.7616%0.158SC*.  trans-76.777.2179.932.7-36.4000111.8G60G60-P81 WeakPolarHBondContact CA-O 3.31Å
82I98.9Very high98.8Very high14 Ų1431.3 Ų31.37%0.07217%0.171CC..  trans-96.2169.3173.966.8178000111A57 V63 V77 F80 H85 H107A57-I82 HydrophobicContact CB-CG2 4.02Å; V63-I82 HydrophobicContact CG2-CB 4.45Å; V63-I82 HydrophobicContact CG2-CG2 3.8Å; V77-I82 HydrophobicContact CG1-CD1 3.65Å; F80-I82 VanDerWaalsContact C-N 3.3Å; F80-I82 HydrophobicContact CB-CG2 4.43Å; F80-I82 PolarHBondContact O-N 2.95Å; I82-H85 HydrophobicContact CD1-CB 3.85Å; I82-H107 HydrophobicContact CD1-CB 4.23Å; I82-H107 HydrophobicContact CG1-CB 3.9Å; I82-H107 VanDerWaalsContact CG1-CG 3.48Å; I82-H107 PolarHBondContact O-CD2 3.42Å
83E98.7Very high98.8Very high99 Ų9932.3 Ų32.346%0.46318%0.184SC..SBendtrans-97.7-52174.7-173.6-170.2142.100111.1G61 R62G61-E83 WeakPolarHBondContact O-CB 3.5Å; G61-E83 PolarHBondContact O-N 3.03Å; R62-E83 IonicContact CZ-OE1 3.21Å; R62-E83 IonicContact NE-OE1 3.77Å; R62-E83 IonicContact NH2-OE1 2.85Å; R62-E83 PolarHBondContact NH2-OE1 3.09Å; R62-E83 IonicContact NH2-OE2 3.95Å
84E98.9Very high98.8Very high23 Ų2332.1 Ų32.111%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-140.5150.1179.6-54.9-170.7153.800110.7G61 R62 V63 W86 K108G61-E84 PolarHBondContact O-N 3.17Å; R62-E84 WeakPolarHBondContact CA-O 3.5Å; R62-E84 HydrophobicContact CG-CB 4.13Å; R62-E84 HydrophobicContact CG-CG 4.35Å; R62-E84 IonicContact NE-OE2 3.74Å; R62-E84 PolarHBondContact NE-OE2 3.31Å; V63-E84 PolarHBondContact N-O 3.22Å; E84-W86 PolarHBondContact OE2-NE1 2.97Å; E84-K108 WeakPolarHBondContact CA-O 3.48Å; E84-K108 HydrophobicContact CG-CB 4.44Å; E84-K108 HydrophobicContact CG-CD 4.23Å; E84-K108 WeakPolarHBondContact OE1-CD 3.39Å; E84-K108 IonicContact OE1-NZ 3.81Å; E84-K108 PolarHBondContact OE1-NZ 3.42Å
85H98.9Very high98.8Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-124.9104.2178-167.6179.1000110.5V63 E65 V77 E78 I82 K108 V109 V110V63-H85 WeakPolarHBondContact O-CA 3.49Å; E65-H85 IonicContact OE2-CE1 3.66Å; E65-H85 IonicContact OE2-NE2 3.47Å; E65-H85 PolarHBondContact OE2-NE2 3.09Å; V77-H85 VanDerWaalsContact CG1-CE1 3.49Å; V77-H85 WeakPolarHBondContact CG1-CE1 3.32Å; E78-H85 VanDerWaalsContact OE1-CB 3.23Å; E78-H85 WeakPolarHBondContact OE1-CB 3.14Å; E78-H85 IonicContact OE1-CG 2.73Å; E78-H85 IonicContact OE1-ND1 2.6Å; E78-H85 PolarHBondContact OE1-ND1 2.86Å; I82-H85 HydrophobicContact CD1-CB 3.85Å; H85-K108 PolarHBondContact N-O 2.67Å; H85-V109 HydrophobicContact CB-CG2 4.46Å; H85-V109 CarbonylContact O-C 3.36Å; H85-V109 VanDerWaalsContact O-CA 3.27Å; H85-V109 WeakPolarHBondContact O-CA 3.37Å; H85-V110 PolarHBondContact O-N 2.89Å
86W98.9Very high98.8Very high42 Ų4231.4 Ų31.416%0.15918%0.181CC..EExtended strand (participates in β ladder)trans-93.1126.1-179.8-7057.4000108.7V63 L64 E65 E84 V110 L112 L123 F128V63-W86 PolarHBondContact O-N 2.94Å; L64-W86 CarbonylContact C-O 3.59Å; L64-W86 WeakPolarHBondContact CA-O 3.3Å; L64-W86 HydrophobicContact CD1-CB 3.88Å; E65-W86 PolarHBondContact N-O 2.91Å; E84-W86 PolarHBondContact OE2-NE1 2.97Å; W86-V110 WeakPolarHBondContact CA-O 3.26Å; W86-V110 HydrophobicContact CB-CB 4.49Å; W86-V110 HydrophobicContact CD2-CB 3.81Å; W86-V110 HydrophobicContact CD2-CG1 3.84Å; W86-V110 HydrophobicContact CD2-CG2 4.21Å; W86-V110 HydrophobicContact CE3-CB 4.3Å; W86-V110 HydrophobicContact CE3-CG1 3.85Å; W86-V110 HydrophobicContact CG-CB 3.89Å; W86-V110 HydrophobicContact CG-CG1 4.42Å; W86-V110 HydrophobicContact CG-CG2 4.33Å; W86-V110 HydrophobicContact CH2-CG1 4.19Å; W86-V110 HydrophobicContact CZ2-CG1 4.2Å; W86-V110 HydrophobicContact CZ2-CG2 4.29Å; W86-V110 HydrophobicContact CZ3-CG1 4.02Å; W86-L112 HydrophobicContact CE3-CD1 3.71Å; W86-L112 HydrophobicContact CZ3-CD1 4.09Å; W86-L123 HydrophobicContact CE3-CD2 4.07Å; W86-L123 HydrophobicContact CZ3-CD2 3.77Å; W86-F128 HydrophobicContact CB-CE1 3.88Å; W86-F128 HydrophobicContact CB-CZ 4.49Å; W86-F128 AromaticContact CD1-CE1 3.99Å; W86-F128 AromaticContact CD2-CE1 3.97Å; W86-F128 HydrophobicContact CD2-CE1 3.97Å; W86-F128 HydrophobicContact CD2-CZ 4.17Å; W86-F128 HydrophobicContact CE3-CE1 4.47Å; W86-F128 HydrophobicContact CE3-CZ 4.22Å; W86-F128 AromaticContact CG-CE1 3.68Å; W86-F128 HydrophobicContact CG-CE1 3.68Å; W86-F128 HydrophobicContact CG-CZ 4.29Å
87I98.9Very high98.7Very high0 Ų031.9 Ų31.90%018%0.181CC..EExtended strand (participates in β ladder)trans-128.2120.5-174.8-51.5-177000109.3E65 F68 A74 L98 W101 V109 V110 L112E65-I87 HydrophobicContact CB-CG1 4.29Å; E65-I87 HydrophobicContact CB-CG2 4.5Å; E65-I87 WeakPolarHBondContact O-CA 3.46Å; F68-I87 HydrophobicContact CB-CG2 3.89Å; F68-I87 HydrophobicContact CD2-CD1 4.06Å; F68-I87 HydrophobicContact CD2-CG2 3.94Å; F68-I87 HydrophobicContact CE2-CD1 4.23Å; F68-I87 HydrophobicContact CG-CG2 4.32Å; A74-I87 HydrophobicContact CB-CD1 4.21Å; I87-L98 HydrophobicContact CB-CD1 4.05Å; I87-L98 HydrophobicContact CB-CD2 3.95Å; I87-L98 HydrophobicContact CD1-CD1 3.7Å; I87-L98 HydrophobicContact CG1-CD1 4.39Å; I87-L98 HydrophobicContact CG2-CD1 4.08Å; I87-L98 HydrophobicContact CG2-CD2 3.75Å; I87-W101 HydrophobicContact CD1-CH2 4.11Å; I87-W101 HydrophobicContact CD1-CZ3 3.62Å; I87-V109 HydrophobicContact CD1-CG1 4.07Å; I87-V109 HydrophobicContact CG1-CG1 4.41Å; I87-V110 PolarHBondContact N-O 2.67Å; I87-L112 PolarHBondContact O-N 2.94Å
88I98.9Very high98.7Very high3 Ų331.9 Ų31.92%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-97.5125.7174.5-55177.6000109L64 E65 I66 G67 L112 G114 W116 V119 V120 L123L64-I88 HydrophobicContact CD1-CD1 4.06Å; L64-I88 HydrophobicContact CD1-CG1 4.06Å; E65-I88 PolarHBondContact O-N 2.79Å; I66-I88 HydrophobicContact CG1-CD1 4.32Å; I66-I88 HydrophobicContact CG2-CB 4.39Å; G67-I88 PolarHBondContact N-O 2.91Å; I88-L112 WeakPolarHBondContact CA-O 3.39Å; I88-L112 HydrophobicContact CG1-CB 4.23Å; I88-L112 HydrophobicContact CG1-CD1 4.21Å; I88-G114 WeakPolarHBondContact CG2-O 3.38Å; I88-W116 HydrophobicContact CG2-CB 4.36Å; I88-V119 HydrophobicContact CD1-CB 4.19Å; I88-V119 HydrophobicContact CD1-CG1 3.73Å; I88-V119 HydrophobicContact CG1-CG1 3.95Å; I88-V119 HydrophobicContact CG2-CB 4.1Å; I88-V119 HydrophobicContact CG2-CG1 4.22Å; I88-V119 HydrophobicContact CG2-CG2 4.19Å; I88-V120 HydrophobicContact CD1-CG2 3.59Å; I88-L123 HydrophobicContact CD1-CD1 4Å
89E98.9Very high98.7Very high14 Ų1436 Ų367%0.06520%0.2CC..EExtended strand (participates in β ladder)trans-140.8135.8174.6174.158-11200110.8F68 N91 V94 F95 L98 L112 K113 G114F68-E89 HydrophobicContact CB-CB 4.11Å; F68-E89 HydrophobicContact CB-CG 4.3Å; F68-E89 PolarHBondContact N-OE2 2.94Å; E89-N91 PolarHBondContact OE1-N 2.71Å; E89-V94 VanDerWaalsContact CD-CG1 3.47Å; E89-V94 HydrophobicContact CG-CB 3.76Å; E89-V94 HydrophobicContact CG-CG1 3.64Å; E89-V94 WeakPolarHBondContact OE2-CG1 3.42Å; E89-F95 HydrophobicContact CB-CD2 4.09Å; E89-F95 HydrophobicContact CG-CB 4.19Å; E89-L98 HydrophobicContact CB-CD2 4.15Å; E89-L112 PolarHBondContact N-O 2.9Å; E89-L112 VanDerWaalsContact N-O 3.09Å; E89-K113 CarbonylContact O-C 3.58Å; E89-K113 WeakPolarHBondContact O-CA 3.46Å; E89-G114 CarbonylContact C-O 3.54Å; E89-G114 PolarHBondContact O-N 2.78Å
90C98.1Very high98.7Very high20 Ų2037.5 Ų37.514%0.13520%0.203CC..  trans-100.9-29.6-170.666.40000114H20 G114 L115H20-C90 PolarHBondContact ND1-O 2.73Å; C90-G114 WeakPolarHBondContact CA-O 3.45Å; C90-G114 VanDerWaalsContact CB-C 3.46Å; C90-G114 WeakPolarHBondContact CB-O 3.48Å; C90-L115 HydrophobicContact CB-CD2 3.96Å; C90-L115 HydrophobicContact CB-CG 4.3Å
91N98.7Very high98.7Very high0 Ų036.9 Ų36.90%020%0.199CC..  trans-83.8136-178.1178.8-88.4000111.6W19 H20 A22 I35 E89 G93 V94 F95W19-N91 PolarHBondContact O-ND2 3.16Å; H20-N91 PolarHBondContact O-ND2 2.6Å; A22-N91 PolarHBondContact O-ND2 3.17Å; I35-N91 HydrophobicContact CD1-CB 4.17Å; E89-N91 PolarHBondContact OE1-N 2.71Å; N91-G93 PolarHBondContact O-N 3.39Å; N91-G93 PolarHBondContact OD1-N 3.38Å; N91-V94 HydrophobicContact CB-CB 4.19Å; N91-V94 HydrophobicContact CB-CG2 3.98Å; N91-V94 PolarHBondContact O-N 3.4Å; N91-V94 PolarHBondContact OD1-N 3.5Å; N91-V94 VanDerWaalsContact OD1-N 3.15Å; N91-F95 VanDerWaalsContact O-CB 3.27Å; N91-F95 WeakPolarHBondContact O-CB 3.48Å; N91-F95 PolarHBondContact O-N 2.93Å
92D98.4Very high98.8Very high56 Ų5632.3 Ų32.330%0.29917%0.172SC..Hα-helixtrans-62.8-42.9-174.8-86.722.9000114.2H20 A96 K113H20-D92 IonicContact CD2-OD1 3.82Å; H20-D92 IonicContact CE1-OD1 3.97Å; H20-D92 PolarHBondContact CE1-OD1 2.96Å; H20-D92 IonicContact CG-OD1 3.46Å; H20-D92 IonicContact ND1-OD1 3.13Å; H20-D92 PolarHBondContact ND1-OD1 2.79Å; H20-D92 IonicContact NE2-OD1 2.75Å; H20-D92 PolarHBondContact NE2-OD1 3.44Å; H20-D92 IonicContact NE2-OD2 3.79Å; H20-D92 PolarHBondContact O-N 3.04Å; D92-A96 WeakPolarHBondContact O-CB 3.23Å; D92-A96 PolarHBondContact O-N 2.91Å; D92-K113 WeakPolarHBondContact OD1-CE 3.41Å; D92-K113 IonicContact OD1-NZ 3.45Å; D92-K113 PolarHBondContact OD1-NZ 3.06Å; D92-K113 IonicContact OD2-NZ 3.63Å; D92-K113 PolarHBondContact OD2-NZ 3.07Å
93G98.6Very high98.7Very high32 Ų3239.4 Ų39.433%0.3320%0.202SC..Hα-helixtrans-68.1-41.5178.900000112.2N91 R97N91-G93 PolarHBondContact O-N 3.39Å; N91-G93 PolarHBondContact OD1-N 3.38Å; G93-R97 PolarHBondContact O-N 2.87Å
94V98.8Very high98.7Very high1 Ų139.1 Ų39.11%0.00621%0.211CC..Hα-helixtrans-69.2-40.2177.2-173.20000110.7A24 L33 I35 F68 E89 N91 A96 R97 L98A24-V94 HydrophobicContact CB-CG2 3.87Å; L33-V94 HydrophobicContact CD1-CG2 4.48Å; L33-V94 HydrophobicContact CD2-CG2 4.12Å; I35-V94 HydrophobicContact CD1-CG2 4.06Å; F68-V94 HydrophobicContact CB-CG1 4.13Å; F68-V94 HydrophobicContact CD1-CG1 3.92Å; E89-V94 VanDerWaalsContact CD-CG1 3.47Å; E89-V94 HydrophobicContact CG-CB 3.76Å; E89-V94 HydrophobicContact CG-CG1 3.64Å; E89-V94 WeakPolarHBondContact OE2-CG1 3.42Å; N91-V94 HydrophobicContact CB-CB 4.19Å; N91-V94 HydrophobicContact CB-CG2 3.98Å; N91-V94 PolarHBondContact O-N 3.4Å; N91-V94 PolarHBondContact OD1-N 3.5Å; N91-V94 VanDerWaalsContact OD1-N 3.15Å; V94-A96 PolarHBondContact O-N 3.38Å; V94-R97 WeakPolarHBondContact O-CB 3.48Å; V94-R97 PolarHBondContact O-N 3.41Å; V94-R97 VanDerWaalsContact O-N 3.15Å; V94-L98 PolarHBondContact O-N 3.24Å
95F98.8Very high98.7Very high15 Ų1540 Ų407%0.06622%0.215CC..Hα-helixtrans-64-41.1177-169.2-95.6000112E89 N91 R97 L98 E99 P111 L112 K113E89-F95 HydrophobicContact CB-CD2 4.09Å; E89-F95 HydrophobicContact CG-CB 4.19Å; N91-F95 VanDerWaalsContact O-CB 3.27Å; N91-F95 WeakPolarHBondContact O-CB 3.48Å; N91-F95 PolarHBondContact O-N 2.93Å; F95-R97 VanDerWaalsContact C-N 3.26Å; F95-R97 PolarHBondContact O-N 2.85Å; F95-L98 HydrophobicContact CD2-CD2 4.01Å; F95-L98 HydrophobicContact CE2-CD2 4.01Å; F95-L98 WeakPolarHBondContact O-CA 3.44Å; F95-L98 WeakPolarHBondContact O-CB 3.27Å; F95-L98 PolarHBondContact O-N 3.29Å; F95-L98 VanDerWaalsContact O-N 3.09Å; F95-E99 HydrophobicContact CD1-CG 3.89Å; F95-E99 HydrophobicContact CE1-CG 3.49Å; F95-E99 VanDerWaalsContact CE1-CG 3.49Å; F95-E99 HydrophobicContact CZ-CG 4.05Å; F95-E99 PolarHBondContact O-N 3.27Å; F95-P111 HydrophobicContact CE2-CB 3.97Å; F95-P111 HydrophobicContact CZ-CB 3.95Å; F95-L112 VanDerWaalsContact CE2-C 3.44Å; F95-K113 HydrophobicContact CB-CG 4.32Å; F95-K113 HydrophobicContact CD1-CB 4.1Å; F95-K113 HydrophobicContact CD1-CD 3.84Å; F95-K113 HydrophobicContact CD1-CG 3.87Å; F95-K113 HydrophobicContact CD2-CB 3.79Å; F95-K113 HydrophobicContact CD2-CG 3.84Å; F95-K113 HydrophobicContact CE1-CB 3.85Å; F95-K113 HydrophobicContact CE1-CD 4.14Å; F95-K113 HydrophobicContact CE1-CG 4.14Å; F95-K113 VanDerWaalsContact CE2-CA 3.46Å; F95-K113 HydrophobicContact CE2-CB 3.58Å; F95-K113 HydrophobicContact CE2-CG 4.16Å; F95-K113 VanDerWaalsContact CE2-N 3.29Å; F95-K113 HydrophobicContact CG-CB 4.08Å; F95-K113 HydrophobicContact CG-CD 4.14Å; F95-K113 HydrophobicContact CG-CG 3.72Å; F95-K113 HydrophobicContact CZ-CB 3.6Å; F95-K113 HydrophobicContact CZ-CG 4.3Å
96A98.8Very high98.7Very high42 Ų4244.7 Ų44.735%0.34725%0.245SC..Hα-helixtrans-61.7-35174.200000112.3D92 V94 N100D92-A96 WeakPolarHBondContact O-CB 3.23Å; D92-A96 PolarHBondContact O-N 2.91Å; V94-A96 PolarHBondContact O-N 3.38Å; A96-N100 PolarHBondContact O-N 3.33Å; A96-N100 PolarHBondContact O-ND2 2.84Å
97R98.7Very high98.7Very high67 Ų6744.9 Ų44.925%0.25325%0.248SC..Hα-helixtrans-66.1-43.2171.8-171.9-178.9174.5147.6-0.2111.1Y26 D30 F68 G93 V94 F95 N100 W101Y26-R97 WeakPolarHBondContact OH-CD 3.45Å; D30-R97 IonicContact OD1-CZ 2.8Å; D30-R97 IonicContact OD1-NH1 3.96Å; D30-R97 PolarHBondContact OD1-NH1 3.47Å; D30-R97 IonicContact OD1-NH2 2.77Å; D30-R97 PolarHBondContact OD1-NH2 2.82Å; D30-R97 IonicContact OD2-CZ 2.72Å; D30-R97 IonicContact OD2-NH1 3.62Å; D30-R97 IonicContact OD2-NH2 2.67Å; D30-R97 PolarHBondContact OD2-NH2 3.13Å; F68-R97 HydrophobicContact CE1-CB 4.41Å; F68-R97 HydrophobicContact CE1-CG 4.19Å; G93-R97 PolarHBondContact O-N 2.87Å; V94-R97 WeakPolarHBondContact O-CB 3.48Å; V94-R97 PolarHBondContact O-N 3.41Å; V94-R97 VanDerWaalsContact O-N 3.15Å; F95-R97 VanDerWaalsContact C-N 3.26Å; F95-R97 PolarHBondContact O-N 2.85Å; R97-N100 PolarHBondContact O-N 3.28Å; R97-W101 WeakPolarHBondContact O-CB 3.49Å; R97-W101 PolarHBondContact O-N 3.14Å
98L98.9Very high98.6Very high0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-58-49.8175167.259.4000111.9F68 I87 E89 V94 F95 N100 W101 A102 V109 P111F68-L98 HydrophobicContact CD1-CB 3.65Å; F68-L98 HydrophobicContact CD2-CB 4.34Å; F68-L98 HydrophobicContact CD2-CD1 3.75Å; F68-L98 HydrophobicContact CD2-CG 4.48Å; F68-L98 VanDerWaalsContact CE1-CA 3.46Å; F68-L98 HydrophobicContact CE1-CB 3.75Å; F68-L98 HydrophobicContact CE2-CB 4.41Å; F68-L98 HydrophobicContact CE2-CD1 3.66Å; F68-L98 HydrophobicContact CG-CB 3.94Å; F68-L98 HydrophobicContact CG-CD1 4.17Å; F68-L98 HydrophobicContact CG-CG 4.43Å; F68-L98 HydrophobicContact CZ-CB 4.12Å; F68-L98 HydrophobicContact CZ-CD1 4.05Å; I87-L98 HydrophobicContact CB-CD1 4.05Å; I87-L98 HydrophobicContact CB-CD2 3.95Å; I87-L98 HydrophobicContact CD1-CD1 3.7Å; I87-L98 HydrophobicContact CG1-CD1 4.39Å; I87-L98 HydrophobicContact CG2-CD1 4.08Å; I87-L98 HydrophobicContact CG2-CD2 3.75Å; E89-L98 HydrophobicContact CB-CD2 4.15Å; V94-L98 PolarHBondContact O-N 3.24Å; F95-L98 HydrophobicContact CD2-CD2 4.01Å; F95-L98 HydrophobicContact CE2-CD2 4.01Å; F95-L98 WeakPolarHBondContact O-CA 3.44Å; F95-L98 WeakPolarHBondContact O-CB 3.27Å; F95-L98 PolarHBondContact O-N 3.29Å; F95-L98 VanDerWaalsContact O-N 3.09Å; L98-N100 PolarHBondContact O-N 2.88Å; L98-W101 HydrophobicContact CD1-CE3 4Å; L98-W101 HydrophobicContact CD1-CZ3 4.29Å; L98-W101 PolarHBondContact O-N 3.18Å; L98-A102 VanDerWaalsContact O-CB 3.3Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 2.65Å; L98-V109 HydrophobicContact CD1-CG1 4.29Å; L98-P111 HydrophobicContact CD1-CB 4.46Å; L98-P111 HydrophobicContact CD2-CB 3.78Å; L98-P111 HydrophobicContact CG-CB 3.9Å
99E98.8Very high98.6Very high97 Ų9751.4 Ų51.445%0.45328%0.278SS..Hα-helixtrans-59.6-36.7179.5-72.1-172.4115.800112.6F95 K103F95-E99 HydrophobicContact CD1-CG 3.89Å; F95-E99 HydrophobicContact CE1-CG 3.49Å; F95-E99 VanDerWaalsContact CE1-CG 3.49Å; F95-E99 HydrophobicContact CZ-CG 4.05Å; F95-E99 PolarHBondContact O-N 3.27Å; E99-K103 WeakPolarHBondContact O-CE 3.13Å; E99-K103 WeakPolarHBondContact O-CG 3.32Å
100N98.8Very high98.6Very high98 Ų9851.9 Ų51.952%0.52428%0.282SS..Hα-helixtrans-73.9-43.4176.5-73.4-41.1000112.2A96 R97 L98 A102 K103A96-N100 PolarHBondContact O-N 3.33Å; A96-N100 PolarHBondContact O-ND2 2.84Å; R97-N100 PolarHBondContact O-N 3.28Å; L98-N100 PolarHBondContact O-N 2.88Å; N100-A102 VanDerWaalsContact C-N 3.33Å; N100-A102 PolarHBondContact O-N 3.21Å; N100-K103 PolarHBondContact O-N 3.19Å; N100-K103 PolarHBondContact OD1-NZ 2.84Å
101W98.8Very high98.7Very high35 Ų3553.1 Ų53.113%0.13329%0.289CS..Hα-helixtrans-61.4-40.6176.617392.1000111.9F68 A74 T75 E78 I87 R97 L98 K103 S104 Q105 V109F68-W101 AromaticContact CE2-CD2 3.87Å; F68-W101 HydrophobicContact CE2-CD2 3.87Å; F68-W101 AromaticContact CE2-CE3 3.72Å; F68-W101 HydrophobicContact CE2-CE3 3.72Å; F68-W101 HydrophobicContact CE2-CG 4.35Å; F68-W101 HydrophobicContact CE2-CZ3 4.07Å; F68-W101 HydrophobicContact CZ-CB 3.86Å; F68-W101 AromaticContact CZ-CD2 3.76Å; F68-W101 HydrophobicContact CZ-CD2 3.76Å; F68-W101 AromaticContact CZ-CE3 3.92Å; F68-W101 HydrophobicContact CZ-CE3 3.92Å; F68-W101 AromaticContact CZ-CG 3.75Å; F68-W101 HydrophobicContact CZ-CG 3.75Å; A74-W101 HydrophobicContact CB-CH2 3.82Å; A74-W101 HydrophobicContact CB-CZ2 3.9Å; A74-W101 HydrophobicContact CB-CZ3 4.47Å; T75-W101 PolarHBondContact OG1-NE1 3.22Å; E78-W101 HydrophobicContact CG-CH2 3.51Å; E78-W101 HydrophobicContact CG-CZ2 3.65Å; I87-W101 HydrophobicContact CD1-CH2 4.11Å; I87-W101 HydrophobicContact CD1-CZ3 3.62Å; R97-W101 WeakPolarHBondContact O-CB 3.49Å; R97-W101 PolarHBondContact O-N 3.14Å; L98-W101 HydrophobicContact CD1-CE3 4Å; L98-W101 HydrophobicContact CD1-CZ3 4.29Å; L98-W101 PolarHBondContact O-N 3.18Å; W101-K103 PolarHBondContact O-N 3.33Å; W101-K103 VanDerWaalsContact O-N 3.14Å; W101-S104 PolarHBondContact O-N 3.24Å; W101-S104 PolarHBondContact O-OG 2.93Å; W101-S104 VanDerWaalsContact O-OG 3.13Å; W101-Q105 HydrophobicContact CD2-CG 3.82Å; W101-Q105 VanDerWaalsContact CE2-NE2 3.29Å; W101-Q105 HydrophobicContact CE3-CG 3.76Å; W101-Q105 HydrophobicContact CH2-CG 3.59Å; W101-Q105 HydrophobicContact CZ2-CG 3.63Å; W101-Q105 HydrophobicContact CZ3-CG 3.66Å; W101-Q105 WeakPolarHBondContact O-CG 3.28Å; W101-Q105 PolarHBondContact O-NE2 3.09Å; W101-V109 HydrophobicContact CE3-CG2 4.49Å; W101-V109 HydrophobicContact CH2-CG2 4.22Å; W101-V109 HydrophobicContact CZ3-CB 4.48Å; W101-V109 HydrophobicContact CZ3-CG1 3.97Å; W101-V109 HydrophobicContact CZ3-CG2 3.68Å
102A98.8Very high98.7Very high21 Ų2155 Ų5517%0.17430%0.299CS..Hα-helixtrans-57.6-29.6-178.600000113.7L98 N100 S104 Q105 V109L98-A102 VanDerWaalsContact O-CB 3.3Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 2.65Å; N100-A102 VanDerWaalsContact C-N 3.33Å; N100-A102 PolarHBondContact O-N 3.21Å; A102-S104 PolarHBondContact O-N 2.89Å; A102-Q105 PolarHBondContact O-N 3.32Å; A102-V109 HydrophobicContact CB-CB 3.83Å; A102-V109 HydrophobicContact CB-CG1 3.72Å; A102-V109 HydrophobicContact CB-CG2 4.37Å
103K98.5Very high98.7Very high163 Ų16356.8 Ų56.871%0.70930%0.304SS*.THydrogen-bonded Turntrans-66.4-19.7-176.9-66.1165.6-171.5166.60113.9E99 N100 W101E99-K103 WeakPolarHBondContact O-CE 3.13Å; E99-K103 WeakPolarHBondContact O-CG 3.32Å; N100-K103 PolarHBondContact O-N 3.19Å; N100-K103 PolarHBondContact OD1-NZ 2.84Å; W101-K103 PolarHBondContact O-N 3.33Å; W101-K103 VanDerWaalsContact O-N 3.14Å
104S97.9Very high98.7Very high93 Ų9356 Ų5665%0.6530%0.296SS*.THydrogen-bonded Turntrans-113.67.7-174.761.40000114.1W101 A102W101-S104 PolarHBondContact O-N 3.24Å; W101-S104 PolarHBondContact O-OG 2.93Å; W101-S104 VanDerWaalsContact O-OG 3.13Å; A102-S104 PolarHBondContact O-N 2.89Å
105Q98.7Very high98.6Very high40 Ų4057.6 Ų57.619%0.18731%0.305CS..  trans-85.3149.8-175.1-59.4-42.7-53.700112.7E78 W101 A102 V109E78-Q105 HydrophobicContact CG-CB 4.17Å; E78-Q105 HydrophobicContact CG-CG 4.13Å; W101-Q105 HydrophobicContact CD2-CG 3.82Å; W101-Q105 VanDerWaalsContact CE2-NE2 3.29Å; W101-Q105 HydrophobicContact CE3-CG 3.76Å; W101-Q105 HydrophobicContact CH2-CG 3.59Å; W101-Q105 HydrophobicContact CZ2-CG 3.63Å; W101-Q105 HydrophobicContact CZ3-CG 3.66Å; W101-Q105 WeakPolarHBondContact O-CG 3.28Å; W101-Q105 PolarHBondContact O-NE2 3.09Å; A102-Q105 PolarHBondContact O-N 3.32Å; Q105-V109 HydrophobicContact CB-CG2 3.78Å; Q105-V109 HydrophobicContact CG-CG2 3.85Å
106P98.3Very high98.6Very high99 Ų9958.2 Ų58.264%0.64331%0.306SS*.SBendtrans-71.3-29.5-178.926.6-32.8000113.2E78E78-P106 HydrophobicContact CB-CG 4.28Å; E78-P106 WeakPolarHBondContact O-CG 3.35Å; E78-P106 WeakPolarHBondContact OE2-CD 3.35Å
107H98.8Very high98.5Very high46 Ų4658.7 Ų58.721%0.21330%0.301CS..SBendtrans-105.3165.8178.3-46.294.2000111.4E78 F80 I82 V109E78-H107 PolarHBondContact O-CE1 3.45Å; E78-H107 VanDerWaalsContact O-CE1 3.22Å; E78-H107 WeakPolarHBondContact OE2-CB 3.42Å; E78-H107 IonicContact OE2-CE1 3.21Å; E78-H107 IonicContact OE2-CG 3.64Å; E78-H107 PolarHBondContact OE2-N 3.35Å; E78-H107 IonicContact OE2-ND1 2.88Å; E78-H107 PolarHBondContact OE2-ND1 2.93Å; F80-H107 PolarHBondContact O-CE1 2.9Å; F80-H107 PolarHBondContact O-NE2 3.26Å; I82-H107 HydrophobicContact CD1-CB 4.23Å; I82-H107 HydrophobicContact CG1-CB 3.9Å; I82-H107 VanDerWaalsContact CG1-CG 3.48Å; I82-H107 PolarHBondContact O-CD2 3.42Å; H107-V109 PolarHBondContact O-N 3.3Å; H107-V109 VanDerWaalsContact O-N 3.11Å
108K98.6Very high98.5Very high120 Ų12061 Ų6152%0.52232%0.319SS..EExtended strand (participates in β ladder)trans-70.4109.5178.3178.2-177.1164.9-160.90109.9E84 H85 V110E84-K108 WeakPolarHBondContact CA-O 3.48Å; E84-K108 HydrophobicContact CG-CB 4.44Å; E84-K108 HydrophobicContact CG-CD 4.23Å; E84-K108 WeakPolarHBondContact OE1-CD 3.39Å; E84-K108 IonicContact OE1-NZ 3.81Å; E84-K108 PolarHBondContact OE1-NZ 3.42Å; H85-K108 PolarHBondContact N-O 2.67Å; K108-V110 HydrophobicContact CG-CG2 4.34Å
109V98.9Very high98.5Very high20 Ų2061.8 Ų61.812%0.12132%0.323CS..EExtended strand (participates in β ladder)trans-86.8132.2171.2-177.90000110.2H85 I87 L98 W101 A102 Q105 H107 P111H85-V109 HydrophobicContact CB-CG2 4.46Å; H85-V109 CarbonylContact O-C 3.36Å; H85-V109 VanDerWaalsContact O-CA 3.27Å; H85-V109 WeakPolarHBondContact O-CA 3.37Å; I87-V109 HydrophobicContact CD1-CG1 4.07Å; I87-V109 HydrophobicContact CG1-CG1 4.41Å; L98-V109 HydrophobicContact CD1-CG1 4.29Å; W101-V109 HydrophobicContact CE3-CG2 4.49Å; W101-V109 HydrophobicContact CH2-CG2 4.22Å; W101-V109 HydrophobicContact CZ3-CB 4.48Å; W101-V109 HydrophobicContact CZ3-CG1 3.97Å; W101-V109 HydrophobicContact CZ3-CG2 3.68Å; A102-V109 HydrophobicContact CB-CB 3.83Å; A102-V109 HydrophobicContact CB-CG1 3.72Å; A102-V109 HydrophobicContact CB-CG2 4.37Å; Q105-V109 HydrophobicContact CB-CG2 3.78Å; Q105-V109 HydrophobicContact CG-CG2 3.85Å; H107-V109 PolarHBondContact O-N 3.3Å; H107-V109 VanDerWaalsContact O-N 3.11Å; V109-P111 WeakPolarHBondContact O-CD 3.38Å
110V98.9Very high98.4Very high25 Ų2557.1 Ų57.115%0.15230%0.302CS..EExtended strand (participates in β ladder)trans-115.790.6176.1-175.40000108.6H85 W86 I87 K108 L112H85-V110 PolarHBondContact O-N 2.89Å; W86-V110 WeakPolarHBondContact CA-O 3.26Å; W86-V110 HydrophobicContact CB-CB 4.49Å; W86-V110 HydrophobicContact CD2-CB 3.81Å; W86-V110 HydrophobicContact CD2-CG1 3.84Å; W86-V110 HydrophobicContact CD2-CG2 4.21Å; W86-V110 HydrophobicContact CE3-CB 4.3Å; W86-V110 HydrophobicContact CE3-CG1 3.85Å; W86-V110 HydrophobicContact CG-CB 3.89Å; W86-V110 HydrophobicContact CG-CG1 4.42Å; W86-V110 HydrophobicContact CG-CG2 4.33Å; W86-V110 HydrophobicContact CH2-CG1 4.19Å; W86-V110 HydrophobicContact CZ2-CG1 4.2Å; W86-V110 HydrophobicContact CZ2-CG2 4.29Å; W86-V110 HydrophobicContact CZ3-CG1 4.02Å; I87-V110 PolarHBondContact N-O 2.67Å; K108-V110 HydrophobicContact CG-CG2 4.34Å; V110-L112 HydrophobicContact CG1-CD2 4.38Å
111P98.8Very high98.4Very high45 Ų4556 Ų5629%0.29230%0.3SS..EExtended strand (participates in β ladder)trans-78132.1-18031.9-34000110.9F95 L98 V109F95-P111 HydrophobicContact CE2-CB 3.97Å; F95-P111 HydrophobicContact CZ-CB 3.95Å; L98-P111 HydrophobicContact CD1-CB 4.46Å; L98-P111 HydrophobicContact CD2-CB 3.78Å; L98-P111 HydrophobicContact CG-CB 3.9Å; V109-P111 WeakPolarHBondContact O-CD 3.38Å
112L98.8Very high98.4Very high41 Ų4159.5 Ų59.522%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-125.4114.9179.5-61.8174.9000110.3W86 I87 I88 E89 F95 V110 V119 L123W86-L112 HydrophobicContact CE3-CD1 3.71Å; W86-L112 HydrophobicContact CZ3-CD1 4.09Å; I87-L112 PolarHBondContact O-N 2.94Å; I88-L112 WeakPolarHBondContact CA-O 3.39Å; I88-L112 HydrophobicContact CG1-CB 4.23Å; I88-L112 HydrophobicContact CG1-CD1 4.21Å; E89-L112 PolarHBondContact N-O 2.9Å; E89-L112 VanDerWaalsContact N-O 3.09Å; F95-L112 VanDerWaalsContact CE2-C 3.44Å; V110-L112 HydrophobicContact CG1-CD2 4.38Å; L112-V119 HydrophobicContact CB-CG1 3.85Å; L112-V119 HydrophobicContact CD1-CG1 3.82Å; L112-V119 HydrophobicContact CG-CG1 4.43Å; L112-L123 HydrophobicContact CD1-CD1 4.37Å; L112-L123 HydrophobicContact CD1-CD2 3.79Å
113K98.6Very high98.3Very high92 Ų9259 Ų5940%0.432%0.32SS..EExtended strand (participates in β ladder)trans-83.4131.1-177.6-161.8-179.1-171-160.60111.1E89 D92 F95E89-K113 CarbonylContact O-C 3.58Å; E89-K113 WeakPolarHBondContact O-CA 3.46Å; D92-K113 WeakPolarHBondContact OD1-CE 3.41Å; D92-K113 IonicContact OD1-NZ 3.45Å; D92-K113 PolarHBondContact OD1-NZ 3.06Å; D92-K113 IonicContact OD2-NZ 3.63Å; D92-K113 PolarHBondContact OD2-NZ 3.07Å; F95-K113 HydrophobicContact CB-CG 4.32Å; F95-K113 HydrophobicContact CD1-CB 4.1Å; F95-K113 HydrophobicContact CD1-CD 3.84Å; F95-K113 HydrophobicContact CD1-CG 3.87Å; F95-K113 HydrophobicContact CD2-CB 3.79Å; F95-K113 HydrophobicContact CD2-CG 3.84Å; F95-K113 HydrophobicContact CE1-CB 3.85Å; F95-K113 HydrophobicContact CE1-CD 4.14Å; F95-K113 HydrophobicContact CE1-CG 4.14Å; F95-K113 VanDerWaalsContact CE2-CA 3.46Å; F95-K113 HydrophobicContact CE2-CB 3.58Å; F95-K113 HydrophobicContact CE2-CG 4.16Å; F95-K113 VanDerWaalsContact CE2-N 3.29Å; F95-K113 HydrophobicContact CG-CB 4.08Å; F95-K113 HydrophobicContact CG-CD 4.14Å; F95-K113 HydrophobicContact CG-CG 3.72Å; F95-K113 HydrophobicContact CZ-CB 3.6Å; F95-K113 HydrophobicContact CZ-CG 4.3Å
114G98.1Very high98.3Very high15 Ų1554 Ų5416%0.15530%0.303CS..SBendtrans135.3172.6167.700000113.7I88 E89 C90I88-G114 WeakPolarHBondContact CG2-O 3.38Å; E89-G114 CarbonylContact C-O 3.54Å; E89-G114 PolarHBondContact O-N 2.78Å; C90-G114 WeakPolarHBondContact CA-O 3.45Å; C90-G114 VanDerWaalsContact CB-C 3.46Å; C90-G114 WeakPolarHBondContact CB-O 3.48Å
115L97.9Very high98.4Very high36 Ų3653.8 Ų53.819%0.18830%0.295CS..  trans-57.8136.5169.8-73.5170.6000110.1K16 C90 E117 N118 V119 L138K16-L115 HydrophobicContact CG-CD1 4.22Å; C90-L115 HydrophobicContact CB-CD2 3.96Å; C90-L115 HydrophobicContact CB-CG 4.3Å; L115-E117 WeakPolarHBondContact CB-OE2 3.39Å; L115-E117 PolarHBondContact O-N 2.83Å; L115-E117 VanDerWaalsContact O-N 3.16Å; L115-N118 PolarHBondContact O-N 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.39Å; L115-V119 PolarHBondContact O-N 3.09Å; L115-L138 HydrophobicContact CD2-CD1 3.74Å
116W98Very high98.3Very high28 Ų2855.7 Ų55.711%0.10631%0.307CS..Hα-helixtrans-58.5-32.5179.869.2-100.2000110.9I66 I88 N118 V119 V120 Y133 D149 F150 H154I66-W116 HydrophobicContact CG2-CB 3.67Å; I66-W116 HydrophobicContact CG2-CG 4.18Å; I88-W116 HydrophobicContact CG2-CB 4.36Å; W116-N118 PolarHBondContact O-N 3.19Å; W116-N118 VanDerWaalsContact O-N 3.17Å; W116-V119 PolarHBondContact O-N 3.07Å; W116-V120 HydrophobicContact CB-CG2 3.93Å; W116-V120 HydrophobicContact CE3-CG2 4.32Å; W116-V120 WeakPolarHBondContact O-CB 3.48Å; W116-V120 WeakPolarHBondContact O-CG2 3.42Å; W116-V120 PolarHBondContact O-N 2.81Å; W116-Y133 PolarHBondContact NE1-OH 2.99Å; W116-D149 HydrophobicContact CH2-CB 3.91Å; W116-D149 HydrophobicContact CZ2-CB 4.5Å; W116-F150 HydrophobicContact CD2-CB 4.39Å; W116-F150 HydrophobicContact CE3-CB 4.06Å; W116-F150 HydrophobicContact CE3-CD2 4.03Å; W116-F150 HydrophobicContact CH2-CB 3.9Å; W116-F150 HydrophobicContact CZ2-CB 4.21Å; W116-F150 HydrophobicContact CZ3-CB 3.83Å; W116-F150 HydrophobicContact CZ3-CD2 4.36Å; W116-H154 AromaticContact CZ3-CD2 3.85Å
117E97.4Very high98.4Very high51 Ų5152.9 Ų52.924%0.23829%0.285CS..Hα-helixtrans-58.8-28.5176.7-62.393.2136.800112.9K16 L115 P121K16-E117 WeakPolarHBondContact CE-OE1 3.28Å; K16-E117 IonicContact NZ-OE1 2.83Å; K16-E117 PolarHBondContact NZ-OE1 3.04Å; L115-E117 WeakPolarHBondContact CB-OE2 3.39Å; L115-E117 PolarHBondContact O-N 2.83Å; L115-E117 VanDerWaalsContact O-N 3.16Å; E117-P121 VanDerWaalsContact O-CD 3.28Å; E117-P121 WeakPolarHBondContact O-CD 3.3Å; E117-P121 VanDerWaalsContact O-CG 3.24Å; E117-P121 WeakPolarHBondContact O-CG 3.28Å
118N97.9Very high98.4Very high115 Ų11550.7 Ų50.762%0.61528%0.275SS*.Hα-helixtrans-95.8-35.8178.6-64.4-27.4000111.9L115 W116L115-N118 PolarHBondContact O-N 3.29Å; W116-N118 PolarHBondContact O-N 3.19Å; W116-N118 VanDerWaalsContact O-N 3.17Å
119V98.6Very high98.4Very high17 Ų1746.3 Ų46.310%0.10326%0.257CS..Hα-helixtrans-79.9-48.3-175.9177.10000111.4I88 L112 L115 W116 T122I88-V119 HydrophobicContact CD1-CB 4.19Å; I88-V119 HydrophobicContact CD1-CG1 3.73Å; I88-V119 HydrophobicContact CG1-CG1 3.95Å; I88-V119 HydrophobicContact CG2-CB 4.1Å; I88-V119 HydrophobicContact CG2-CG1 4.22Å; I88-V119 HydrophobicContact CG2-CG2 4.19Å; L112-V119 HydrophobicContact CB-CG1 3.85Å; L112-V119 HydrophobicContact CD1-CG1 3.82Å; L112-V119 HydrophobicContact CG-CG1 4.43Å; L115-V119 WeakPolarHBondContact O-CG2 3.39Å; L115-V119 PolarHBondContact O-N 3.09Å; W116-V119 PolarHBondContact O-N 3.07Å; V119-T122 WeakPolarHBondContact O-CB 3.11Å; V119-T122 PolarHBondContact O-N 2.68Å; V119-T122 PolarHBondContact O-OG1 3.08Å
120V98.2Very high98.4Very high0 Ų045.4 Ų45.40%025%0.251CS..G310 helixtrans-58.3-40-1731730000113.6I66 I88 W116 T122 L123 F150 H154 R157 M158I66-V120 HydrophobicContact CD1-CG2 4.48Å; I88-V120 HydrophobicContact CD1-CG2 3.59Å; W116-V120 HydrophobicContact CB-CG2 3.93Å; W116-V120 HydrophobicContact CE3-CG2 4.32Å; W116-V120 WeakPolarHBondContact O-CB 3.48Å; W116-V120 WeakPolarHBondContact O-CG2 3.42Å; W116-V120 PolarHBondContact O-N 2.81Å; V120-T122 PolarHBondContact O-N 3.04Å; V120-T122 VanDerWaalsContact O-N 3.07Å; V120-L123 WeakPolarHBondContact O-CB 3.26Å; V120-L123 PolarHBondContact O-N 3.01Å; V120-F150 HydrophobicContact CG1-CD2 4.25Å; V120-F150 HydrophobicContact CG1-CE2 3.97Å; V120-F150 HydrophobicContact CG2-CD2 4.19Å; V120-F150 HydrophobicContact CG2-CE2 3.99Å; V120-H154 HydrophobicContact CG1-CB 3.46Å; V120-H154 VanDerWaalsContact CG1-CB 3.46Å; V120-H154 WeakPolarHBondContact CG1-CD2 3.33Å; V120-R157 PolarHBondContact O-NH2 3.48Å; V120-M158 HydrophobicContact CG1-CE 4.3Å; V120-M158 HydrophobicContact CG1-SD 3.48Å; V120-M158 WeakPolarHBondContact CG1-SD 3.31Å
121P98.1Very high98.4Very high74 Ų7444.2 Ų44.248%0.48124%0.244SC..G310 helixtrans-57.9-21.4175.4-27.536.6000114.7E117E117-P121 VanDerWaalsContact O-CD 3.28Å; E117-P121 WeakPolarHBondContact O-CD 3.3Å; E117-P121 VanDerWaalsContact O-CG 3.24Å; E117-P121 WeakPolarHBondContact O-CG 3.28Å
122T98.1Very high98.4Very high109 Ų10942 Ų4267%0.66923%0.23SC*.G310 helixtrans-85.4-12.5178.575.10000113.4V119 V120V119-T122 WeakPolarHBondContact O-CB 3.11Å; V119-T122 PolarHBondContact O-N 2.68Å; V119-T122 PolarHBondContact O-OG1 3.08Å; V120-T122 PolarHBondContact O-N 3.04Å; V120-T122 VanDerWaalsContact O-N 3.07Å
123L98.4Very high98.4Very high11 Ų1140.1 Ų40.16%0.05822%0.22CC..SBendtrans-84.4144.5-174.9-61.7-175.9000112.3L64 W86 I88 L112 V120 F128 R157 M158L64-L123 HydrophobicContact CD1-CD1 4.32Å; L64-L123 HydrophobicContact CD2-CD1 4.34Å; W86-L123 HydrophobicContact CE3-CD2 4.07Å; W86-L123 HydrophobicContact CZ3-CD2 3.77Å; I88-L123 HydrophobicContact CD1-CD1 4Å; L112-L123 HydrophobicContact CD1-CD1 4.37Å; L112-L123 HydrophobicContact CD1-CD2 3.79Å; V120-L123 WeakPolarHBondContact O-CB 3.26Å; V120-L123 PolarHBondContact O-N 3.01Å; L123-F128 HydrophobicContact CD1-CE2 4.44Å; L123-F128 HydrophobicContact CD1-CZ 4.31Å; L123-R157 PolarHBondContact O-NH1 3.39Å; L123-M158 HydrophobicContact CB-CE 3.7Å; L123-M158 HydrophobicContact CD1-CE 3.55Å; L123-M158 HydrophobicContact CG-CE 4.26Å
124P98.2Very high98.4Very high56 Ų5637.3 Ų37.336%0.36421%0.21SC..PPolyproline II helixtrans-68.8151.6-17627.8-35.5000113.3H127P124-H127 HydrophobicContact CB-CB 4.19Å; P124-H127 HydrophobicContact CG-CB 3.65Å; P124-H127 VanDerWaalsContact CG-CG 3.5Å
125D98.4Very high98.3Very high90 Ų9037.8 Ų37.848%0.48121%0.21SC..THydrogen-bonded Turntrans-72.5153.9169.9-722.6000111.4H127 R157D125-H127 PolarHBondContact O-N 3.28Å; D125-R157 WeakPolarHBondContact CA-O 3.47Å; D125-R157 VanDerWaalsContact OD1-CD 3.23Å; D125-R157 WeakPolarHBondContact OD1-CD 3.45Å; D125-R157 WeakPolarHBondContact OD1-CG 3.35Å; D125-R157 IonicContact OD1-CZ 2.67Å; D125-R157 IonicContact OD1-NE 2.89Å; D125-R157 IonicContact OD1-NH1 2.68Å; D125-R157 PolarHBondContact OD1-NH1 3.26Å
126N98.3Very high98.3Very high80 Ų8037 Ų3743%0.42820%0.204SC..THydrogen-bonded Turntrans47.543.4176.4-56.5-68.4000113.8R157 M158 L159 K160 K234N126-R157 PolarHBondContact N-O 3.02Å; N126-M158 CarbonylContact C-O 3.53Å; N126-M158 PolarHBondContact N-O 2.86Å; N126-L159 PolarHBondContact OD1-O 3.23Å; N126-L159 VanDerWaalsContact OD1-O 3.12Å; N126-K160 WeakPolarHBondContact O-CG 3.48Å; N126-K234 PolarHBondContact OD1-NZ 2.97Å
127H98.8Very high98.2Very high39 Ų3935.8 Ų35.818%0.18120%0.2CC..  trans-107.9-32.2-172.6-16476.3000113.5R62 P124 D125 M158 K160R62-H127 WeakPolarHBondContact CD-NE2 3.2Å; R62-H127 PolarHBondContact NH1-CE1 3.44Å; R62-H127 VanDerWaalsContact NH1-CE1 3.33Å; P124-H127 HydrophobicContact CB-CB 4.19Å; P124-H127 HydrophobicContact CG-CB 3.65Å; P124-H127 VanDerWaalsContact CG-CG 3.5Å; D125-H127 PolarHBondContact O-N 3.28Å; H127-M158 PolarHBondContact N-O 3.19Å; H127-K160 VanDerWaalsContact O-CE 3.25Å; H127-K160 WeakPolarHBondContact O-CE 3.48Å
128F98.9Very high98.1Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-101.6136.8-172-58.4-78.8000111.6R62 L64 W86 L123 I131 M158 L159 K160R62-F128 HydrophobicContact CB-CD1 4.06Å; R62-F128 CarbonylContact O-C 3.58Å; R62-F128 WeakPolarHBondContact O-CA 3.37Å; L64-F128 HydrophobicContact CB-CD1 3.61Å; L64-F128 HydrophobicContact CB-CD2 4.4Å; L64-F128 HydrophobicContact CB-CE1 3.79Å; L64-F128 HydrophobicContact CB-CG 3.93Å; L64-F128 HydrophobicContact CB-CZ 4.26Å; L64-F128 HydrophobicContact CD1-CE1 4.45Å; L64-F128 HydrophobicContact CD1-CZ 4.41Å; L64-F128 HydrophobicContact CD2-CD2 4.34Å; L64-F128 HydrophobicContact CD2-CE2 4.18Å; L64-F128 HydrophobicContact CD2-CZ 4.34Å; W86-F128 HydrophobicContact CB-CE1 3.88Å; W86-F128 HydrophobicContact CB-CZ 4.49Å; W86-F128 AromaticContact CD1-CE1 3.99Å; W86-F128 AromaticContact CD2-CE1 3.97Å; W86-F128 HydrophobicContact CD2-CE1 3.97Å; W86-F128 HydrophobicContact CD2-CZ 4.17Å; W86-F128 HydrophobicContact CE3-CE1 4.47Å; W86-F128 HydrophobicContact CE3-CZ 4.22Å; W86-F128 AromaticContact CG-CE1 3.68Å; W86-F128 HydrophobicContact CG-CE1 3.68Å; W86-F128 HydrophobicContact CG-CZ 4.29Å; L123-F128 HydrophobicContact CD1-CE2 4.44Å; L123-F128 HydrophobicContact CD1-CZ 4.31Å; F128-I131 HydrophobicContact CB-CG1 4.18Å; F128-M158 HydrophobicContact CD2-CB 4.09Å; F128-M158 HydrophobicContact CD2-CE 3.8Å; F128-M158 HydrophobicContact CE2-CE 3.37Å; F128-M158 HydrophobicContact CZ-CE 4.29Å; F128-M158 PolarHBondContact N-O 3.46Å; F128-M158 VanDerWaalsContact N-O 3.11Å; F128-L159 CarbonylContact O-C 3.58Å; F128-L159 WeakPolarHBondContact O-CA 3.46Å; F128-K160 PolarHBondContact O-N 3.13Å
129D98.9Very high98.1Very high29 Ų2929.5 Ų29.516%0.15517%0.169CC..EExtended strand (participates in β ladder)trans-85.7-25.5173.2-57.9-82.2000110.5K59 G61 R62 K160 G163 V164K59-D129 HydrophobicContact CB-CB 3.91Å; G61-D129 WeakPolarHBondContact CA-OD2 3.46Å; R62-D129 PolarHBondContact N-OD2 2.88Å; R62-D129 PolarHBondContact O-N 2.99Å; D129-K160 WeakPolarHBondContact OD1-CD 3.32Å; D129-K160 IonicContact OD1-NZ 3.02Å; D129-K160 PolarHBondContact OD1-NZ 3.03Å; D129-K160 IonicContact OD2-NZ 2.71Å; D129-K160 PolarHBondContact OD2-NZ 3.09Å; D129-G163 CarbonylContact O-C 3.6Å; D129-G163 WeakPolarHBondContact O-CA 3.49Å; D129-V164 PolarHBondContact O-N 2.81Å
130G98.9Very high98Very high0 Ų032.7 Ų32.70%018%0.183CC..EExtended strand (participates in β ladder)trans-143.3144.4177.900000113.2A56 R62 V63 L64 V164A56-G130 VanDerWaalsContact O-CA 3.28Å; A56-G130 WeakPolarHBondContact O-CA 3.48Å; R62-G130 PolarHBondContact O-N 3.46Å; V63-G130 CarbonylContact C-O 3.5Å; V63-G130 WeakPolarHBondContact CA-O 3.47Å; L64-G130 PolarHBondContact N-O 3.09Å; G130-V164 CarbonylContact C-O 3.53Å; G130-V164 VanDerWaalsContact CA-O 3.28Å; G130-V164 WeakPolarHBondContact CA-O 3.37Å
131I98.9Very high97.9Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-130.5129.6171.8-59.6179.1000109.4L64 F128 F150 A155 M158 L159 V164 L165 T166L64-I131 HydrophobicContact CB-CG1 4.21Å; L64-I131 HydrophobicContact CD2-CD1 4.5Å; L64-I131 HydrophobicContact CD2-CG1 4.43Å; L64-I131 HydrophobicContact CD2-CG2 4.49Å; L64-I131 CarbonylContact O-C 3.6Å; L64-I131 VanDerWaalsContact O-CA 3.28Å; L64-I131 WeakPolarHBondContact O-CA 3.16Å; F128-I131 HydrophobicContact CB-CG1 4.18Å; I131-F150 HydrophobicContact CD1-CZ 4.42Å; I131-F150 HydrophobicContact CG2-CE1 3.91Å; I131-F150 HydrophobicContact CG2-CZ 3.87Å; I131-A155 HydrophobicContact CD1-CB 4.48Å; I131-M158 HydrophobicContact CD1-CB 4.13Å; I131-L159 HydrophobicContact CB-CD2 4.41Å; I131-L159 HydrophobicContact CD1-CD2 3.81Å; I131-L159 HydrophobicContact CD1-CG 3.73Å; I131-L159 HydrophobicContact CG1-CD2 3.68Å; I131-L159 HydrophobicContact CG1-CG 4.18Å; I131-V164 PolarHBondContact N-O 2.84Å; I131-L165 HydrophobicContact CB-CD1 4.05Å; I131-L165 HydrophobicContact CG2-CD1 3.83Å; I131-L165 WeakPolarHBondContact O-CA 3.19Å; I131-T166 PolarHBondContact O-N 3.2Å
132L98.9Very high97.7Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-113.1119.7168.1-166.1160.7000108.5L52 A56 L64 E65 I66 A73 D134 T166L52-L132 HydrophobicContact CB-CD1 3.94Å; L52-L132 HydrophobicContact CB-CG 4.33Å; A56-L132 HydrophobicContact CB-CB 3.8Å; A56-L132 HydrophobicContact CB-CD1 4.27Å; A56-L132 HydrophobicContact CB-CG 4.46Å; L64-L132 PolarHBondContact O-N 3.23Å; E65-L132 CarbonylContact C-O 3.55Å; E65-L132 WeakPolarHBondContact CA-O 3.34Å; E65-L132 HydrophobicContact CG-CD2 4.31Å; I66-L132 PolarHBondContact N-O 3Å; A73-L132 HydrophobicContact CB-CD1 3.89Å; L132-D134 HydrophobicContact CD2-CB 3.64Å; L132-T166 WeakPolarHBondContact CA-O 3.43Å; L132-T166 HydrophobicContact CB-CG2 4.28Å; L132-T166 HydrophobicContact CG-CG2 4.09Å
133Y98.9Very high97.6Very high0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-111.9110.5172.5-176.9-78.3000110.3I66 W116 T135 H146 Q147 F150 T166 Y167 C168I66-Y133 HydrophobicContact CB-CD2 4.03Å; I66-Y133 HydrophobicContact CD1-CD2 3.84Å; I66-Y133 HydrophobicContact CG1-CD2 4.5Å; I66-Y133 HydrophobicContact CG2-CD2 4.11Å; I66-Y133 HydrophobicContact CG2-CE2 4.2Å; W116-Y133 PolarHBondContact NE1-OH 2.99Å; Y133-T135 HydrophobicContact CD2-CG2 4.35Å; Y133-T135 HydrophobicContact CE1-CG2 4.15Å; Y133-T135 WeakPolarHBondContact CE1-OG1 3.38Å; Y133-T135 HydrophobicContact CE2-CG2 3.89Å; Y133-T135 PolarHBondContact OH-OG1 2.65Å; Y133-H146 AromaticContact CE1-CE1 3.68Å; Y133-H146 AromaticContact CE1-ND1 3.62Å; Y133-H146 AromaticContact CZ-ND1 3.76Å; Y133-H146 PolarHBondContact OH-ND1 3.24Å; Y133-H146 PolarHBondContact OH-O 3.49Å; Y133-Q147 HydrophobicContact CD1-CB 3.8Å; Y133-Q147 HydrophobicContact CE1-CB 3.43Å; Y133-Q147 VanDerWaalsContact CE1-CB 3.43Å; Y133-F150 HydrophobicContact CD2-CB 4.06Å; Y133-F150 AromaticContact CD2-CD1 3.31Å; Y133-F150 HydrophobicContact CD2-CD1 3.31Å; Y133-F150 HydrophobicContact CD2-CD2 4.41Å; Y133-F150 AromaticContact CD2-CE1 3.86Å; Y133-F150 HydrophobicContact CD2-CE1 3.86Å; Y133-F150 AromaticContact CD2-CG 3.65Å; Y133-F150 HydrophobicContact CD2-CG 3.65Å; Y133-F150 HydrophobicContact CE2-CB 3.63Å; Y133-F150 AromaticContact CE2-CD1 3.84Å; Y133-F150 HydrophobicContact CE2-CD1 3.84Å; Y133-F150 HydrophobicContact CE2-CD2 4.48Å; Y133-F150 AromaticContact CE2-CG 3.71Å; Y133-F150 HydrophobicContact CE2-CG 3.71Å; Y133-F150 HydrophobicContact CG-CD1 4.03Å; Y133-F150 HydrophobicContact CG-CE1 4.45Å; Y133-T166 PolarHBondContact N-O 3.18Å; Y133-Y167 CarbonylContact O-C 3.46Å; Y133-Y167 WeakPolarHBondContact O-CA 3.34Å; Y133-Y167 VanDerWaalsContact O-CB 3.28Å; Y133-Y167 WeakPolarHBondContact O-CB 3.13Å; Y133-C168 PolarHBondContact O-N 2.95Å; Y133-C168 VanDerWaalsContact O-N 3.09Å
134D98.7Very high97.6Very high34 Ų3438.1 Ų38.118%0.18220%0.195CC..  trans-141.869176.2-174.229.3000109.7M49 I66 L132 C168M49-D134 WeakPolarHBondContact CE-OD2 3.44Å; M49-D134 VanDerWaalsContact SD-OD2 3.34Å; I66-D134 CarbonylContact O-C 3.59Å; I66-D134 PolarHBondContact O-N 2.67Å; L132-D134 HydrophobicContact CD2-CB 3.64Å; D134-C168 PolarHBondContact OD1-SG 2.78Å
135T96.6Very high97.5Very high25 Ų2538.1 Ų38.115%0.15319%0.194CC..PPolyproline II helixtrans-95.717417474.80000110.8I66 Y133 H146I66-T135 HydrophobicContact CB-CG2 4.24Å; I66-T135 HydrophobicContact CG2-CG2 3.53Å; I66-T135 WeakPolarHBondContact O-CG2 3.28Å; Y133-T135 HydrophobicContact CD2-CG2 4.35Å; Y133-T135 HydrophobicContact CE1-CG2 4.15Å; Y133-T135 WeakPolarHBondContact CE1-OG1 3.38Å; Y133-T135 HydrophobicContact CE2-CG2 3.89Å; Y133-T135 PolarHBondContact OH-OG1 2.65Å; T135-H146 PolarHBondContact O-CE1 3.06Å; T135-H146 PolarHBondContact OG1-CE1 3Å; T135-H146 VanDerWaalsContact OG1-CE1 3.29Å; T135-H146 PolarHBondContact OG1-ND1 3.48Å
136Y97.1Very high97.4Very high19 Ų1934.4 Ų34.48%0.07517%0.174CC..PPolyproline II helixtrans-97.4139.8171.7-158.2-99.3000110.7I8 F9 W19 K38 P39 V40 T171I8-Y136 WeakPolarHBondContact CG2-OH 3.47Å; F9-Y136 HydrophobicContact CE2-CE1 4.41Å; F9-Y136 AromaticContact CZ-CE1 3.96Å; F9-Y136 HydrophobicContact CZ-CE1 3.96Å; W19-Y136 AromaticContact CH2-CD1 3.37Å; W19-Y136 HydrophobicContact CH2-CD1 3.37Å; W19-Y136 AromaticContact CH2-CE1 3.99Å; W19-Y136 HydrophobicContact CH2-CE1 3.99Å; W19-Y136 HydrophobicContact CH2-CG 4.05Å; W19-Y136 AromaticContact CZ2-CD1 3.92Å; W19-Y136 HydrophobicContact CZ2-CD1 3.92Å; W19-Y136 HydrophobicContact CZ2-CG 4.19Å; W19-Y136 HydrophobicContact CZ3-CD1 4.19Å; K38-Y136 HydrophobicContact CB-CE1 4.02Å; K38-Y136 HydrophobicContact CD-CE1 3.62Å; K38-Y136 HydrophobicContact CG-CE1 4.46Å; P39-Y136 WeakPolarHBondContact O-CE2 3.41Å; V40-Y136 HydrophobicContact CB-CD2 4.29Å; V40-Y136 HydrophobicContact CG1-CD2 4.31Å; V40-Y136 HydrophobicContact CG1-CG 4.5Å; V40-Y136 HydrophobicContact CG2-CD1 4.42Å; V40-Y136 HydrophobicContact CG2-CD2 4.1Å; V40-Y136 HydrophobicContact CG2-CE2 4.37Å; V40-Y136 HydrophobicContact CG2-CG 4.13Å; Y136-T171 HydrophobicContact CE2-CG2 3.86Å
137P96.3Very high97.4Very high2 Ų230.6 Ų30.61%0.01315%0.153CC..PPolyproline II helixtrans-57.5140168.324.6-34.9000110F9F9-P137 HydrophobicContact CE2-CB 4.03Å; F9-P137 HydrophobicContact CE2-CG 3.72Å; F9-P137 HydrophobicContact CZ-CB 4.16Å; F9-P137 HydrophobicContact CZ-CG 4.05Å; F9-P137 VanDerWaalsContact CZ-O 3.27Å; F9-P137 WeakPolarHBondContact CZ-O 3.42Å
138L96.1Very high97.3Very high20 Ų2029.1 Ų29.111%0.10515%0.146CC..  trans-105.5-7.6-177.9-60.3-177000113.6C15 K16 W19 L115C15-L138 WeakPolarHBondContact CA-O 3.37Å; C15-L138 WeakPolarHBondContact CB-O 3.43Å; C15-L138 PolarHBondContact N-O 3.43Å; K16-L138 HydrophobicContact CB-CB 3.89Å; K16-L138 HydrophobicContact CB-CD1 4.05Å; K16-L138 HydrophobicContact CD-CD1 4.28Å; K16-L138 HydrophobicContact CG-CB 4.5Å; K16-L138 HydrophobicContact CG-CD1 3.85Å; W19-L138 HydrophobicContact CB-CD2 4.28Å; W19-L138 HydrophobicContact CD2-CD2 3.29Å; W19-L138 HydrophobicContact CE3-CD2 3.57Å; W19-L138 HydrophobicContact CG-CD2 3.63Å; W19-L138 HydrophobicContact CH2-CD2 4.26Å; W19-L138 HydrophobicContact CZ2-CD2 4.03Å; W19-L138 HydrophobicContact CZ3-CD2 4.04Å; L115-L138 HydrophobicContact CD2-CD1 3.74Å
139S96.6Very high97.1Very high15 Ų1534 Ų3411%0.10517%0.172CC..BIsolated β-bridgetrans-145.4159.2176.368.80000111.8E13 E141 T142 W143E13-S139 VanDerWaalsContact O-CA 3.26Å; E13-S139 WeakPolarHBondContact O-CA 3.3Å; E13-S139 WeakPolarHBondContact O-CB 3.39Å; S139-E141 VanDerWaalsContact C-N 3.28Å; S139-E141 PolarHBondContact O-N 2.96Å; S139-T142 PolarHBondContact O-N 3.41Å; S139-T142 PolarHBondContact O-OG1 2.89Å; S139-T142 PolarHBondContact OG-N 3.31Å; S139-T142 PolarHBondContact OG-OG1 2.67Å; S139-W143 PolarHBondContact O-N 3.38Å
140E96.2Very high97.1Very high84 Ų8432.6 Ų32.639%0.39317%0.165SC..SBendtrans-58.8-41173.4-170.6-104.615600111.9F9 G12 E13 T142 W143F9-E140 HydrophobicContact CB-CB 3.75Å; F9-E140 HydrophobicContact CB-CG 3.94Å; F9-E140 HydrophobicContact CG-CB 4.25Å; G12-E140 PolarHBondContact N-OE2 2.88Å; E13-E140 PolarHBondContact O-N 2.99Å; E140-T142 VanDerWaalsContact C-N 3.29Å; E140-T142 PolarHBondContact O-N 3.36Å; E140-W143 WeakPolarHBondContact O-CB 3.39Å; E140-W143 PolarHBondContact O-N 2.93Å
141E95.8Very high97Very high169 Ų16932.6 Ų32.679%0.7917%0.165SC*.THydrogen-bonded Turntrans-60.4-37.2-179.9-178.2178.8-174.500112.9S139S139-E141 VanDerWaalsContact C-N 3.28Å; S139-E141 PolarHBondContact O-N 2.96Å
142T95.3Very high96.9Very high37 Ų3736 Ų3623%0.22718%0.18CC..THydrogen-bonded Turntrans-98.87-175.460.30000113.1S139 E140 H144 T145 H146S139-T142 PolarHBondContact O-N 3.41Å; S139-T142 PolarHBondContact O-OG1 2.89Å; S139-T142 PolarHBondContact OG-N 3.31Å; S139-T142 PolarHBondContact OG-OG1 2.67Å; E140-T142 VanDerWaalsContact C-N 3.29Å; E140-T142 PolarHBondContact O-N 3.36Å; T142-H144 VanDerWaalsContact C-N 3.31Å; T142-H144 PolarHBondContact O-N 2.68Å; T142-T145 PolarHBondContact O-N 3.01Å; T142-H146 WeakPolarHBondContact O-CB 3.46Å; T142-H146 PolarHBondContact O-N 3.23Å
143W96Very high96.7Very high32 Ų3237.9 Ų37.912%0.12120%0.2CC..THydrogen-bonded Turntrans-51.8-48.7-172.4-179.412.8000112.4I8 F9 S139 E140 N169 T171 E175I8-W143 HydrophobicContact CB-CZ2 4.3Å; I8-W143 HydrophobicContact CG1-CZ2 4.28Å; F9-W143 HydrophobicContact CD2-CB 4.42Å; F9-W143 HydrophobicContact CD2-CD2 4.34Å; F9-W143 HydrophobicContact CD2-CG 4.21Å; F9-W143 HydrophobicContact CE2-CG 4.4Å; S139-W143 PolarHBondContact O-N 3.38Å; E140-W143 WeakPolarHBondContact O-CB 3.39Å; E140-W143 PolarHBondContact O-N 2.93Å; W143-N169 PolarHBondContact O-ND2 3.24Å; W143-T171 WeakPolarHBondContact CZ2-O 3.33Å; W143-T171 VanDerWaalsContact NE1-C 3.33Å; W143-T171 VanDerWaalsContact NE1-CB 3.3Å; W143-T171 PolarHBondContact NE1-OG1 3.33Å; W143-E175 HydrophobicContact CH2-CB 4.04Å; W143-E175 HydrophobicContact CH2-CG 3.79Å; W143-E175 HydrophobicContact CZ2-CB 3.93Å; W143-E175 HydrophobicContact CZ2-CG 4.21Å
144H96.8Very high96.7Very high69 Ų6939.6 Ų39.632%0.31921%0.207SC..THydrogen-bonded Turntrans-88.4-5.6-177.9-61.6-69000114.6T142 Q147 S172T142-H144 VanDerWaalsContact C-N 3.31Å; T142-H144 PolarHBondContact O-N 2.68Å; H144-Q147 PolarHBondContact O-NE2 3.25Å; H144-S172 WeakPolarHBondContact CA-OG 3.33Å; H144-S172 WeakPolarHBondContact ND1-CA 3.48Å; H144-S172 WeakPolarHBondContact ND1-CB 3.22Å; H144-S172 PolarHBondContact ND1-OG 3.15Å
145T96.9Very high96.7Very high57 Ų5738 Ų3835%0.3520%0.199SC..THydrogen-bonded Turntrans-133.9-9.6-16154.20000115.7T142 Q147 F148T142-T145 PolarHBondContact O-N 3.01Å; T145-Q147 PolarHBondContact O-N 3.12Å; T145-F148 HydrophobicContact CG2-CD2 4.08Å; T145-F148 HydrophobicContact CG2-CE2 4.31Å; T145-F148 WeakPolarHBondContact O-CB 3.21Å; T145-F148 PolarHBondContact O-N 2.9Å
146H96.1Very high96.6Very high12 Ų1239.7 Ų39.76%0.05621%0.205CC..Hα-helixtrans-52.7-34.3-174.169.694.6000114.2Y133 T135 T142 F148 N169Y133-H146 AromaticContact CE1-CE1 3.68Å; Y133-H146 AromaticContact CE1-ND1 3.62Å; Y133-H146 AromaticContact CZ-ND1 3.76Å; Y133-H146 PolarHBondContact OH-ND1 3.24Å; Y133-H146 PolarHBondContact OH-O 3.49Å; T135-H146 PolarHBondContact O-CE1 3.06Å; T135-H146 PolarHBondContact OG1-CE1 3Å; T135-H146 VanDerWaalsContact OG1-CE1 3.29Å; T135-H146 PolarHBondContact OG1-ND1 3.48Å; T142-H146 WeakPolarHBondContact O-CB 3.46Å; T142-H146 PolarHBondContact O-N 3.23Å; H146-F148 VanDerWaalsContact C-N 3.29Å; H146-F148 PolarHBondContact O-N 3Å; H146-N169 PolarHBondContact CD2-ND2 2.75Å; H146-N169 VanDerWaalsContact CD2-ND2 3.26Å; H146-N169 VanDerWaalsContact NE2-CG 3.33Å; H146-N169 PolarHBondContact NE2-ND2 2.95Å
147Q97.8Very high96.6Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-65.8-29.6177.570.8-75.8-0.500113.2Y133 H144 T145 D149 F150 I151 Y167 N169Y133-Q147 HydrophobicContact CD1-CB 3.8Å; Y133-Q147 HydrophobicContact CE1-CB 3.43Å; Y133-Q147 VanDerWaalsContact CE1-CB 3.43Å; H144-Q147 PolarHBondContact O-NE2 3.25Å; T145-Q147 PolarHBondContact O-N 3.12Å; Q147-D149 PolarHBondContact O-N 2.98Å; Q147-F150 PolarHBondContact O-N 3.28Å; Q147-I151 HydrophobicContact CB-CD1 4.24Å; Q147-I151 HydrophobicContact CG-CD1 4.11Å; Q147-I151 WeakPolarHBondContact O-CD1 3.2Å; Q147-I151 WeakPolarHBondContact O-CG1 3.36Å; Q147-I151 PolarHBondContact O-N 3.21Å; Q147-Y167 HydrophobicContact CB-CD2 4.24Å; Q147-Y167 HydrophobicContact CG-CD2 3.88Å; Q147-Y167 HydrophobicContact CG-CE2 3.76Å; Q147-N169 PolarHBondContact OE1-ND2 3.38Å
148F97.6Very high96.7Very high7 Ų741.5 Ų41.53%0.03121%0.211CC..Hα-helixtrans-73.5-31-171-61.9-46.9000113T145 H146 F150 I151 K152 Q192 H195T145-F148 HydrophobicContact CG2-CD2 4.08Å; T145-F148 HydrophobicContact CG2-CE2 4.31Å; T145-F148 WeakPolarHBondContact O-CB 3.21Å; T145-F148 PolarHBondContact O-N 2.9Å; H146-F148 VanDerWaalsContact C-N 3.29Å; H146-F148 PolarHBondContact O-N 3Å; F148-F150 VanDerWaalsContact C-N 3.33Å; F148-I151 HydrophobicContact CD1-CD1 4.24Å; F148-I151 PolarHBondContact O-N 2.81Å; F148-K152 VanDerWaalsContact O-CB 3.3Å; F148-K152 WeakPolarHBondContact O-CB 3.4Å; F148-K152 VanDerWaalsContact O-CG 3.26Å; F148-K152 WeakPolarHBondContact O-CG 2.82Å; F148-K152 PolarHBondContact O-N 3.2Å; F148-Q192 VanDerWaalsContact CZ-OE1 3.25Å; F148-H195 HydrophobicContact CD1-CB 3.47Å; F148-H195 VanDerWaalsContact CD1-CB 3.47Å; F148-H195 AromaticContact CD1-CG 3.9Å; F148-H195 HydrophobicContact CD2-CB 4.32Å; F148-H195 AromaticContact CD2-CD2 3.53Å; F148-H195 AromaticContact CD2-CG 3.81Å; F148-H195 AromaticContact CD2-NE2 3.89Å; F148-H195 HydrophobicContact CE1-CB 3.61Å; F148-H195 AromaticContact CE1-CD2 3.82Å; F148-H195 AromaticContact CE1-CG 3.97Å; F148-H195 HydrophobicContact CE2-CB 4.43Å; F148-H195 AromaticContact CE2-CD2 3.19Å; F148-H195 WeakPolarHBondContact CE2-CD2 3.33Å; F148-H195 AromaticContact CE2-CG 3.89Å; F148-H195 AromaticContact CE2-NE2 3.69Å; F148-H195 HydrophobicContact CG-CB 3.87Å; F148-H195 AromaticContact CG-CD2 3.99Å; F148-H195 AromaticContact CG-CG 3.83Å; F148-H195 HydrophobicContact CZ-CB 4.1Å; F148-H195 AromaticContact CZ-CD2 3.34Å; F148-H195 WeakPolarHBondContact CZ-CD2 3.33Å; F148-H195 AromaticContact CZ-CG 3.95Å
149D95.4Very high96.9Very high102 Ų10240.5 Ų40.555%0.54521%0.206SC..Hα-helixtrans-63.6-42.9175.5-71.6-14.1000110.6W116 Q147 G153W116-D149 HydrophobicContact CH2-CB 3.91Å; W116-D149 HydrophobicContact CZ2-CB 4.5Å; Q147-D149 PolarHBondContact O-N 2.98Å; D149-G153 PolarHBondContact O-N 3.36Å
150F97.9Very high97Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-62.4-48.2171.7170.2-101.1000111.7I66 W116 V120 I131 Y133 Q147 F148 K152 H154 A155 M158 L165I66-F150 HydrophobicContact CD1-CD1 4.26Å; I66-F150 HydrophobicContact CD1-CD2 3.81Å; I66-F150 HydrophobicContact CD1-CE1 3.72Å; I66-F150 HydrophobicContact CD1-CE2 3.21Å; I66-F150 HydrophobicContact CD1-CG 4.3Å; I66-F150 HydrophobicContact CD1-CZ 3.17Å; W116-F150 HydrophobicContact CD2-CB 4.39Å; W116-F150 HydrophobicContact CE3-CB 4.06Å; W116-F150 HydrophobicContact CE3-CD2 4.03Å; W116-F150 HydrophobicContact CH2-CB 3.9Å; W116-F150 HydrophobicContact CZ2-CB 4.21Å; W116-F150 HydrophobicContact CZ3-CB 3.83Å; W116-F150 HydrophobicContact CZ3-CD2 4.36Å; V120-F150 HydrophobicContact CG1-CD2 4.25Å; V120-F150 HydrophobicContact CG1-CE2 3.97Å; V120-F150 HydrophobicContact CG2-CD2 4.19Å; V120-F150 HydrophobicContact CG2-CE2 3.99Å; I131-F150 HydrophobicContact CD1-CZ 4.42Å; I131-F150 HydrophobicContact CG2-CE1 3.91Å; I131-F150 HydrophobicContact CG2-CZ 3.87Å; Y133-F150 HydrophobicContact CD2-CB 4.06Å; Y133-F150 AromaticContact CD2-CD1 3.31Å; Y133-F150 HydrophobicContact CD2-CD1 3.31Å; Y133-F150 HydrophobicContact CD2-CD2 4.41Å; Y133-F150 AromaticContact CD2-CE1 3.86Å; Y133-F150 HydrophobicContact CD2-CE1 3.86Å; Y133-F150 AromaticContact CD2-CG 3.65Å; Y133-F150 HydrophobicContact CD2-CG 3.65Å; Y133-F150 HydrophobicContact CE2-CB 3.63Å; Y133-F150 AromaticContact CE2-CD1 3.84Å; Y133-F150 HydrophobicContact CE2-CD1 3.84Å; Y133-F150 HydrophobicContact CE2-CD2 4.48Å; Y133-F150 AromaticContact CE2-CG 3.71Å; Y133-F150 HydrophobicContact CE2-CG 3.71Å; Y133-F150 HydrophobicContact CG-CD1 4.03Å; Y133-F150 HydrophobicContact CG-CE1 4.45Å; Q147-F150 PolarHBondContact O-N 3.28Å; F148-F150 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.86Å; F150-H154 HydrophobicContact CD2-CB 3.88Å; F150-H154 HydrophobicContact CE2-CB 3.82Å; F150-H154 WeakPolarHBondContact O-CA 3.37Å; F150-H154 VanDerWaalsContact O-CB 3.31Å; F150-H154 WeakPolarHBondContact O-CB 3.48Å; F150-H154 PolarHBondContact O-N 3Å; F150-A155 HydrophobicContact CD1-CB 4.38Å; F150-A155 HydrophobicContact CE1-CB 3.81Å; F150-A155 HydrophobicContact CZ-CB 4.2Å; F150-A155 PolarHBondContact O-N 2.88Å; F150-A155 VanDerWaalsContact O-N 3.08Å; F150-M158 HydrophobicContact CE2-SD 4.38Å; F150-L165 HydrophobicContact CE1-CD1 4.5Å
151I98Very high97.1Very high0 Ų042.5 Ų42.50%022%0.221CC..Iπ-helixtrans-63.5-47.7-174.8-67165.5000111.2Q147 F148 A155 L165 Y167 L196 A199 F201Q147-I151 HydrophobicContact CB-CD1 4.24Å; Q147-I151 HydrophobicContact CG-CD1 4.11Å; Q147-I151 WeakPolarHBondContact O-CD1 3.2Å; Q147-I151 WeakPolarHBondContact O-CG1 3.36Å; Q147-I151 PolarHBondContact O-N 3.21Å; F148-I151 HydrophobicContact CD1-CD1 4.24Å; F148-I151 PolarHBondContact O-N 2.81Å; I151-A155 HydrophobicContact CG2-CB 4.45Å; I151-A155 PolarHBondContact O-N 3.03Å; I151-L165 HydrophobicContact CD1-CD2 4.41Å; I151-L165 HydrophobicContact CG1-CD2 4.03Å; I151-L165 HydrophobicContact CG2-CD2 4.01Å; I151-Y167 HydrophobicContact CD1-CD1 3.97Å; I151-Y167 HydrophobicContact CD1-CD2 4.22Å; I151-Y167 HydrophobicContact CD1-CE1 3.97Å; I151-Y167 HydrophobicContact CD1-CE2 4.22Å; I151-Y167 HydrophobicContact CD1-CG 4.09Å; I151-L196 HydrophobicContact CD1-CD2 4.33Å; I151-L196 HydrophobicContact CG2-CD2 3.95Å; I151-A199 HydrophobicContact CG2-CB 3.77Å; I151-F201 HydrophobicContact CG2-CE2 4Å
152K96.3Very high97.2Very high71 Ų7136 Ų3631%0.30920%0.199SC..Iπ-helixtrans-69.2-42.4180-67.5173.6179.4-166.90112.3F148 F150 H195 E198 A199F148-K152 VanDerWaalsContact O-CB 3.3Å; F148-K152 WeakPolarHBondContact O-CB 3.4Å; F148-K152 VanDerWaalsContact O-CG 3.26Å; F148-K152 WeakPolarHBondContact O-CG 2.82Å; F148-K152 PolarHBondContact O-N 3.2Å; F150-K152 PolarHBondContact O-N 2.86Å; K152-H195 PolarHBondContact NZ-ND1 2.83Å; K152-E198 WeakPolarHBondContact CE-OE1 3.27Å; K152-E198 WeakPolarHBondContact CE-OE2 3.36Å; K152-E198 IonicContact NZ-OE1 2.81Å; K152-E198 PolarHBondContact NZ-OE1 3.48Å; K152-E198 IonicContact NZ-OE2 2.71Å; K152-E198 PolarHBondContact NZ-OE2 3.15Å; K152-A199 HydrophobicContact CB-CB 4.33Å; K152-A199 HydrophobicContact CG-CB 3.94Å
153G95.6Very high97.4Very high41 Ų4134.3 Ų34.342%0.42319%0.189SC..Iπ-helixtrans-81.6-26.9-175.200000114.2D149D149-G153 PolarHBondContact O-N 3.36Å
154H98.1Very high97.5Very high35 Ų3532.8 Ų32.816%0.16218%0.183CC..Iπ-helixtrans-140.7-44.3-161-57.5-42.4000115.7W116 V120 F150 H156 R157 M158W116-H154 AromaticContact CZ3-CD2 3.85Å; V120-H154 HydrophobicContact CG1-CB 3.46Å; V120-H154 VanDerWaalsContact CG1-CB 3.46Å; V120-H154 WeakPolarHBondContact CG1-CD2 3.33Å; F150-H154 HydrophobicContact CD2-CB 3.88Å; F150-H154 HydrophobicContact CE2-CB 3.82Å; F150-H154 WeakPolarHBondContact O-CA 3.37Å; F150-H154 VanDerWaalsContact O-CB 3.31Å; F150-H154 WeakPolarHBondContact O-CB 3.48Å; F150-H154 PolarHBondContact O-N 3Å; H154-H156 VanDerWaalsContact C-N 3.3Å; H154-H156 PolarHBondContact O-N 3.44Å; H154-R157 PolarHBondContact ND1-NE 2.91Å; H154-R157 PolarHBondContact ND1-NH2 2.83Å; H154-R157 VanDerWaalsContact O-CG 3.29Å; H154-R157 WeakPolarHBondContact O-CG 3.38Å; H154-R157 PolarHBondContact O-N 2.95Å; H154-M158 HydrophobicContact CB-SD 3.88Å; H154-M158 WeakPolarHBondContact O-CB 3.23Å; H154-M158 VanDerWaalsContact O-CG 3.26Å; H154-M158 WeakPolarHBondContact O-CG 3.35Å; H154-M158 PolarHBondContact O-N 2.77Å
155A97.7Very high97.6Very high0 Ų029.5 Ų29.50%017%0.168CC..Iπ-helixtrans-55.8-45.7-173.400000112.4I131 F150 I151 M158 L159 L165 F201I131-A155 HydrophobicContact CD1-CB 4.48Å; F150-A155 HydrophobicContact CD1-CB 4.38Å; F150-A155 HydrophobicContact CE1-CB 3.81Å; F150-A155 HydrophobicContact CZ-CB 4.2Å; F150-A155 PolarHBondContact O-N 2.88Å; F150-A155 VanDerWaalsContact O-N 3.08Å; I151-A155 HydrophobicContact CG2-CB 4.45Å; I151-A155 PolarHBondContact O-N 3.03Å; A155-M158 PolarHBondContact O-N 3.28Å; A155-L159 WeakPolarHBondContact O-CG 3.13Å; A155-L159 PolarHBondContact O-N 3.46Å; A155-L159 VanDerWaalsContact O-N 3.13Å; A155-L165 HydrophobicContact CB-CD1 4.3Å; A155-L165 HydrophobicContact CB-CD2 3.99Å; A155-F201 HydrophobicContact CB-CZ 4.46Å
156H95.6Very high97.7Very high62 Ų6226.8 Ų26.829%0.28715%0.151SC..Hα-helixtrans-65.4-41.5-179.7-169.1-82.3000113.3H154 A199 F201 K234H154-H156 VanDerWaalsContact C-N 3.3Å; H154-H156 PolarHBondContact O-N 3.44Å; H156-A199 WeakPolarHBondContact CB-O 3.4Å; H156-F201 HydrophobicContact CB-CE2 4.36Å; H156-F201 HydrophobicContact CB-CZ 4.17Å; H156-F201 AromaticContact CD2-CE1 3.93Å; H156-K234 VanDerWaalsContact O-CD 3.3Å; H156-K234 WeakPolarHBondContact O-CD 3.19Å; H156-K234 WeakPolarHBondContact O-CE 3.48Å; H156-K234 PolarHBondContact O-NZ 3.19Å
157R97.3Very high97.8Very high58 Ų5826.2 Ų26.222%0.21915%0.149CC..Hα-helixtrans-69.8-34.6179.575.3175.6178.984.62.7112.1V120 L123 D125 N126 H154V120-R157 PolarHBondContact O-NH2 3.48Å; L123-R157 PolarHBondContact O-NH1 3.39Å; D125-R157 WeakPolarHBondContact CA-O 3.47Å; D125-R157 VanDerWaalsContact OD1-CD 3.23Å; D125-R157 WeakPolarHBondContact OD1-CD 3.45Å; D125-R157 WeakPolarHBondContact OD1-CG 3.35Å; D125-R157 IonicContact OD1-CZ 2.67Å; D125-R157 IonicContact OD1-NE 2.89Å; D125-R157 IonicContact OD1-NH1 2.68Å; D125-R157 PolarHBondContact OD1-NH1 3.26Å; N126-R157 PolarHBondContact N-O 3.02Å; H154-R157 PolarHBondContact ND1-NE 2.91Å; H154-R157 PolarHBondContact ND1-NH2 2.83Å; H154-R157 VanDerWaalsContact O-CG 3.29Å; H154-R157 WeakPolarHBondContact O-CG 3.38Å; H154-R157 PolarHBondContact O-N 2.95Å
158M98.5Very high97.9Very high0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-81.4-30.5-172.5-70.9175.469.900113.5L64 V120 L123 N126 H127 F128 I131 F150 H154 A155L64-M158 HydrophobicContact CD2-CE 3.32Å; V120-M158 HydrophobicContact CG1-CE 4.3Å; V120-M158 HydrophobicContact CG1-SD 3.48Å; V120-M158 WeakPolarHBondContact CG1-SD 3.31Å; L123-M158 HydrophobicContact CB-CE 3.7Å; L123-M158 HydrophobicContact CD1-CE 3.55Å; L123-M158 HydrophobicContact CG-CE 4.26Å; N126-M158 CarbonylContact C-O 3.53Å; N126-M158 PolarHBondContact N-O 2.86Å; H127-M158 PolarHBondContact N-O 3.19Å; F128-M158 HydrophobicContact CD2-CB 4.09Å; F128-M158 HydrophobicContact CD2-CE 3.8Å; F128-M158 HydrophobicContact CE2-CE 3.37Å; F128-M158 HydrophobicContact CZ-CE 4.29Å; F128-M158 PolarHBondContact N-O 3.46Å; F128-M158 VanDerWaalsContact N-O 3.11Å; I131-M158 HydrophobicContact CD1-CB 4.13Å; F150-M158 HydrophobicContact CE2-SD 4.38Å; H154-M158 HydrophobicContact CB-SD 3.88Å; H154-M158 WeakPolarHBondContact O-CB 3.23Å; H154-M158 VanDerWaalsContact O-CG 3.26Å; H154-M158 WeakPolarHBondContact O-CG 3.35Å; H154-M158 PolarHBondContact O-N 2.77Å; A155-M158 PolarHBondContact O-N 3.28Å
159L98.8Very high97.9Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-66.2141.8174-76.3174000111.3N126 F128 I131 A155 V164 L165 F201 K234N126-L159 PolarHBondContact OD1-O 3.23Å; N126-L159 VanDerWaalsContact OD1-O 3.12Å; F128-L159 CarbonylContact O-C 3.58Å; F128-L159 WeakPolarHBondContact O-CA 3.46Å; I131-L159 HydrophobicContact CB-CD2 4.41Å; I131-L159 HydrophobicContact CD1-CD2 3.81Å; I131-L159 HydrophobicContact CD1-CG 3.73Å; I131-L159 HydrophobicContact CG1-CD2 3.68Å; I131-L159 HydrophobicContact CG1-CG 4.18Å; A155-L159 WeakPolarHBondContact O-CG 3.13Å; A155-L159 PolarHBondContact O-N 3.46Å; A155-L159 VanDerWaalsContact O-N 3.13Å; L159-V164 WeakPolarHBondContact CD2-O 3.4Å; L159-L165 HydrophobicContact CD1-CB 4.02Å; L159-F201 HydrophobicContact CD1-CE1 4.06Å; L159-F201 HydrophobicContact CD1-CZ 4.14Å; L159-K234 HydrophobicContact CB-CB 4.01Å; L159-K234 HydrophobicContact CB-CD 3.65Å; L159-K234 HydrophobicContact CB-CG 4.49Å; L159-K234 HydrophobicContact CD1-CB 4.07Å; L159-K234 VanDerWaalsContact O-CD 3.27Å; L159-K234 WeakPolarHBondContact O-CD 3.4Å; L159-K234 WeakPolarHBondContact O-CE 3.21Å; L159-K234 PolarHBondContact O-NZ 3.16Å
160K98.8Very high98.1Very high51 Ų5121.7 Ų21.722%0.22213%0.125CC..EExtended strand (participates in β ladder)trans-68.5158.3162.6-71.7164.5175.91700110.6N126 H127 F128 D129 G162 G163N126-K160 WeakPolarHBondContact O-CG 3.48Å; H127-K160 VanDerWaalsContact O-CE 3.25Å; H127-K160 WeakPolarHBondContact O-CE 3.48Å; F128-K160 PolarHBondContact O-N 3.13Å; D129-K160 WeakPolarHBondContact OD1-CD 3.32Å; D129-K160 IonicContact OD1-NZ 3.02Å; D129-K160 PolarHBondContact OD1-NZ 3.03Å; D129-K160 IonicContact OD2-NZ 2.71Å; D129-K160 PolarHBondContact OD2-NZ 3.09Å; K160-G162 PolarHBondContact O-N 3.24Å; K160-G163 WeakPolarHBondContact O-CA 3.41Å; K160-G163 PolarHBondContact O-N 3.45Å
161P98.4Very high98Very high89 Ų8922 Ų2258%0.57813%0.127SC*.EExtended strand (participates in β ladder)trans-52.3128.8163.9-24.334.6000110.6G163P161-G163 VanDerWaalsContact C-N 3.26Å; P161-G163 PolarHBondContact O-N 3.48Å
162G98.6Very high98Very high32 Ų3222 Ų2233%0.3313%0.127SC..EExtended strand (participates in β ladder)trans80.1-3.8-173.100000115.7K59 K160 K234K59-G162 WeakPolarHBondContact CE-O 3.46Å; K160-G162 PolarHBondContact O-N 3.24Å; G162-K234 VanDerWaalsContact CA-O 3.24Å; G162-K234 WeakPolarHBondContact CA-O 3.29Å; G162-K234 PolarHBondContact N-O 3.23Å
163G98.9Very high98.1Very high2 Ų218.7 Ų18.72%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-68.7160174.200000112.3D129 K160 P161 V233 K234D129-G163 CarbonylContact O-C 3.6Å; D129-G163 WeakPolarHBondContact O-CA 3.49Å; K160-G163 WeakPolarHBondContact O-CA 3.41Å; K160-G163 PolarHBondContact O-N 3.45Å; P161-G163 VanDerWaalsContact C-N 3.26Å; P161-G163 PolarHBondContact O-N 3.48Å; G163-V233 WeakPolarHBondContact O-CA 3.49Å; G163-K234 PolarHBondContact O-N 2.9Å
164V98.9Very high98.2Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-124135.8-171.165.40000112.9V55 K59 D129 G130 I131 L159 T231 I232 V233V55-V164 HydrophobicContact CG1-CG2 3.63Å; V55-V164 WeakPolarHBondContact O-CG1 3.34Å; K59-V164 HydrophobicContact CG-CB 4.47Å; K59-V164 HydrophobicContact CG-CG1 3.95Å; D129-V164 PolarHBondContact O-N 2.81Å; G130-V164 CarbonylContact C-O 3.53Å; G130-V164 VanDerWaalsContact CA-O 3.28Å; G130-V164 WeakPolarHBondContact CA-O 3.37Å; I131-V164 PolarHBondContact N-O 2.84Å; L159-V164 WeakPolarHBondContact CD2-O 3.4Å; V164-T231 HydrophobicContact CG2-CG2 3.82Å; V164-I232 CarbonylContact C-O 3.57Å; V164-I232 WeakPolarHBondContact CA-O 3.39Å; V164-V233 HydrophobicContact CG2-CG2 4.33Å
165L98.9Very high98.1Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-106138168.9166.572.3000109.6I131 F150 I151 A155 L159 F201 I232I131-L165 HydrophobicContact CB-CD1 4.05Å; I131-L165 HydrophobicContact CG2-CD1 3.83Å; I131-L165 WeakPolarHBondContact O-CA 3.19Å; F150-L165 HydrophobicContact CE1-CD1 4.5Å; I151-L165 HydrophobicContact CD1-CD2 4.41Å; I151-L165 HydrophobicContact CG1-CD2 4.03Å; I151-L165 HydrophobicContact CG2-CD2 4.01Å; A155-L165 HydrophobicContact CB-CD1 4.3Å; A155-L165 HydrophobicContact CB-CD2 3.99Å; L159-L165 HydrophobicContact CD1-CB 4.02Å; L165-F201 HydrophobicContact CD2-CE2 4.06Å; L165-F201 HydrophobicContact CD2-CZ 4.09Å; L165-I232 HydrophobicContact CB-CB 4.16Å; L165-I232 HydrophobicContact CD2-CB 4.44Å; L165-I232 HydrophobicContact CD2-CD1 4.5Å; L165-I232 HydrophobicContact CG-CD1 4.41Å; L165-I232 PolarHBondContact N-O 2.95Å; L165-I232 WeakPolarHBondContact O-CD1 3.36Å; L165-I232 PolarHBondContact O-N 3.39Å
166T98.9Very high98.1Very high0 Ų020.4 Ų20.40%011%0.111CC..EExtended strand (participates in β ladder)trans-134.9153.8162-165.40000109.1L52 V55 A56 I131 L132 Y133 P230L52-T166 HydrophobicContact CB-CG2 4.26Å; L52-T166 HydrophobicContact CD2-CG2 4.35Å; L52-T166 VanDerWaalsContact CD2-OG1 3.3Å; L52-T166 WeakPolarHBondContact CD2-OG1 2.83Å; L52-T166 WeakPolarHBondContact O-CG2 3.19Å; V55-T166 HydrophobicContact CB-CG2 4.18Å; V55-T166 HydrophobicContact CG1-CG2 4.24Å; A56-T166 HydrophobicContact CB-CG2 3.97Å; I131-T166 PolarHBondContact O-N 3.2Å; L132-T166 WeakPolarHBondContact CA-O 3.43Å; L132-T166 HydrophobicContact CB-CG2 4.28Å; L132-T166 HydrophobicContact CG-CG2 4.09Å; Y133-T166 PolarHBondContact N-O 3.18Å; T166-P230 VanDerWaalsContact CB-O 3.28Å; T166-P230 WeakPolarHBondContact CB-O 3.12Å; T166-P230 PolarHBondContact OG1-O 3.37Å
167Y98.9Very high98.2Very high0 Ų018 Ų180%010%0.1CC..EExtended strand (participates in β ladder)trans-161.2166.3-178.772.4-81.6000111.1Y133 Q147 I151 W173 Q192 L196 P230 I232Y133-Y167 CarbonylContact O-C 3.46Å; Y133-Y167 WeakPolarHBondContact O-CA 3.34Å; Y133-Y167 VanDerWaalsContact O-CB 3.28Å; Y133-Y167 WeakPolarHBondContact O-CB 3.13Å; Q147-Y167 HydrophobicContact CB-CD2 4.24Å; Q147-Y167 HydrophobicContact CG-CD2 3.88Å; Q147-Y167 HydrophobicContact CG-CE2 3.76Å; I151-Y167 HydrophobicContact CD1-CD1 3.97Å; I151-Y167 HydrophobicContact CD1-CD2 4.22Å; I151-Y167 HydrophobicContact CD1-CE1 3.97Å; I151-Y167 HydrophobicContact CD1-CE2 4.22Å; I151-Y167 HydrophobicContact CD1-CG 4.09Å; Y167-W173 HydrophobicContact CD2-CZ2 4.35Å; Y167-W173 AromaticContact CE2-CZ2 3.9Å; Y167-W173 HydrophobicContact CE2-CZ2 3.9Å; Y167-Q192 WeakPolarHBondContact OH-CB 3.45Å; Y167-Q192 PolarHBondContact OH-OE1 2.79Å; Y167-L196 HydrophobicContact CE1-CD2 3.99Å; Y167-P230 HydrophobicContact CD1-CG 3.93Å; Y167-P230 HydrophobicContact CE1-CB 4.44Å; Y167-P230 HydrophobicContact CE1-CG 4Å; Y167-P230 WeakPolarHBondContact O-CD 3.49Å; Y167-P230 VanDerWaalsContact O-CG 3.26Å; Y167-P230 WeakPolarHBondContact O-CG 3.41Å; Y167-I232 HydrophobicContact CD1-CD1 4.18Å; Y167-I232 HydrophobicContact CE1-CD1 4Å
168C98.8Very high98Very high0 Ų019.9 Ų19.90%011%0.11CC..  trans-145.7167.9165.160.60000114.1Y48 L52 Y133 D134 W173Y48-C168 HydrophobicContact CE1-CB 3.97Å; Y48-C168 WeakPolarHBondContact OH-CB 3.37Å; L52-C168 HydrophobicContact CD1-CB 4.25Å; L52-C168 WeakPolarHBondContact CD1-SG 3.45Å; Y133-C168 PolarHBondContact O-N 2.95Å; Y133-C168 VanDerWaalsContact O-N 3.09Å; D134-C168 PolarHBondContact OD1-SG 2.78Å; C168-W173 HydrophobicContact CB-CE3 4.49Å; C168-W173 HydrophobicContact CB-CH2 3.76Å; C168-W173 HydrophobicContact CB-CZ2 4.49Å; C168-W173 HydrophobicContact CB-CZ3 3.77Å
169N98.6Very high97.3Very high3 Ų323.4 Ų23.42%0.01615%0.146CC..  trans-148.980.2168.8-179.4-15.3000107.4W143 H146 Q147 T171 S172 W173W143-N169 PolarHBondContact O-ND2 3.24Å; H146-N169 PolarHBondContact CD2-ND2 2.75Å; H146-N169 VanDerWaalsContact CD2-ND2 3.26Å; H146-N169 VanDerWaalsContact NE2-CG 3.33Å; H146-N169 PolarHBondContact NE2-ND2 2.95Å; Q147-N169 PolarHBondContact OE1-ND2 3.38Å; N169-T171 VanDerWaalsContact C-N 3.32Å; N169-T171 PolarHBondContact O-N 3.32Å; N169-T171 PolarHBondContact OD1-OG1 3.42Å; N169-S172 VanDerWaalsContact ND2-CB 3.32Å; N169-S172 WeakPolarHBondContact ND2-CB 3.4Å; N169-S172 WeakPolarHBondContact O-CB 3.37Å; N169-S172 PolarHBondContact O-N 2.82Å; N169-S172 WeakPolarHBondContact OD1-CB 3.46Å; N169-S172 PolarHBondContact OD1-N 3.03Å; N169-S172 VanDerWaalsContact OD1-N 3.09Å; N169-W173 VanDerWaalsContact O-CG 3.24Å; N169-W173 PolarHBondContact O-N 3.21Å
170L98.2Very high97.2Very high11 Ų1130.1 Ų30.16%0.05818%0.175CC..Hα-helixtrans-64.8-34.6-171-68.2-175.3000112.9E45 Y48 S172 W173 G174 Y221 Y222 M227E45-L170 HydrophobicContact CG-CD1 4.2Å; E45-L170 VanDerWaalsContact OE2-CD1 3.28Å; E45-L170 WeakPolarHBondContact OE2-CD1 3.19Å; Y48-L170 HydrophobicContact CD1-CD1 4.2Å; Y48-L170 HydrophobicContact CD1-CD2 4.24Å; Y48-L170 HydrophobicContact CE1-CD1 4.2Å; Y48-L170 HydrophobicContact CE1-CD2 3.67Å; Y48-L170 HydrophobicContact CE1-CG 4.19Å; L170-S172 VanDerWaalsContact C-N 3.34Å; L170-S172 PolarHBondContact O-N 3.3Å; L170-W173 HydrophobicContact CD2-CE3 4.27Å; L170-G174 WeakPolarHBondContact O-CA 3.27Å; L170-G174 PolarHBondContact O-N 2.77Å; L170-Y221 HydrophobicContact CB-CD2 4.21Å; L170-Y221 HydrophobicContact CB-CE2 4.24Å; L170-Y221 HydrophobicContact CD1-CE2 4.44Å; L170-Y222 HydrophobicContact CB-CD2 4.3Å; L170-Y222 HydrophobicContact CD2-CD2 4.26Å; L170-Y222 HydrophobicContact CD2-CE2 4.01Å; L170-Y222 WeakPolarHBondContact O-CD2 3.49Å; L170-M227 HydrophobicContact CD1-CE 4.25Å; L170-M227 HydrophobicContact CD2-CE 4Å; L170-M227 HydrophobicContact CD2-SD 3.65Å
171T97.1Very high97.2Very high7 Ų728.5 Ų28.54%0.04317%0.168CC..Hα-helixtrans-65.2-39.4177.163.70000111.5Y136 W143 N169 E175 Y221Y136-T171 HydrophobicContact CE2-CG2 3.86Å; W143-T171 WeakPolarHBondContact CZ2-O 3.33Å; W143-T171 VanDerWaalsContact NE1-C 3.33Å; W143-T171 VanDerWaalsContact NE1-CB 3.3Å; W143-T171 PolarHBondContact NE1-OG1 3.33Å; N169-T171 VanDerWaalsContact C-N 3.32Å; N169-T171 PolarHBondContact O-N 3.32Å; N169-T171 PolarHBondContact OD1-OG1 3.42Å; T171-E175 PolarHBondContact O-N 3.29Å; T171-Y221 HydrophobicContact CG2-CD2 4.39Å; T171-Y221 HydrophobicContact CG2-CG 4.28Å
172S97.9Very high97.1Very high1 Ų130.8 Ų30.81%0.00718%0.175CC..Hα-helixtrans-67.2-52.2174.5172.80000112H144 N169 L170 G174 E175 L176H144-S172 WeakPolarHBondContact CA-OG 3.33Å; H144-S172 WeakPolarHBondContact ND1-CA 3.48Å; H144-S172 WeakPolarHBondContact ND1-CB 3.22Å; H144-S172 PolarHBondContact ND1-OG 3.15Å; N169-S172 VanDerWaalsContact ND2-CB 3.32Å; N169-S172 WeakPolarHBondContact ND2-CB 3.4Å; N169-S172 WeakPolarHBondContact O-CB 3.37Å; N169-S172 PolarHBondContact O-N 2.82Å; N169-S172 WeakPolarHBondContact OD1-CB 3.46Å; N169-S172 PolarHBondContact OD1-N 3.03Å; N169-S172 VanDerWaalsContact OD1-N 3.09Å; L170-S172 VanDerWaalsContact C-N 3.34Å; L170-S172 PolarHBondContact O-N 3.3Å; S172-G174 PolarHBondContact O-N 2.75Å; S172-E175 PolarHBondContact O-N 3.33Å; S172-L176 WeakPolarHBondContact O-CG 3.44Å; S172-L176 PolarHBondContact O-N 2.96Å
173W98.5Very high97.1Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-67.5-39.1-175-61.9-7.9000111.9Y48 Y167 C168 N169 L170 E175 L176 L177 M187 F188 Y222 I228Y48-W173 VanDerWaalsContact OH-CZ3 3.31Å; Y48-W173 WeakPolarHBondContact OH-CZ3 3.49Å; Y167-W173 HydrophobicContact CD2-CZ2 4.35Å; Y167-W173 AromaticContact CE2-CZ2 3.9Å; Y167-W173 HydrophobicContact CE2-CZ2 3.9Å; C168-W173 HydrophobicContact CB-CE3 4.49Å; C168-W173 HydrophobicContact CB-CH2 3.76Å; C168-W173 HydrophobicContact CB-CZ2 4.49Å; C168-W173 HydrophobicContact CB-CZ3 3.77Å; N169-W173 VanDerWaalsContact O-CG 3.24Å; N169-W173 PolarHBondContact O-N 3.21Å; L170-W173 HydrophobicContact CD2-CE3 4.27Å; W173-E175 VanDerWaalsContact C-N 3.32Å; W173-E175 PolarHBondContact O-N 2.83Å; W173-L176 PolarHBondContact O-N 2.8Å; W173-L177 WeakPolarHBondContact O-CB 3.47Å; W173-L177 WeakPolarHBondContact O-CD1 3.5Å; W173-L177 WeakPolarHBondContact O-CG 3.26Å; W173-L177 PolarHBondContact O-N 2.72Å; W173-M187 HydrophobicContact CB-CE 3.73Å; W173-M187 HydrophobicContact CD2-CE 4.04Å; W173-M187 HydrophobicContact CG-CE 3.63Å; W173-M187 HydrophobicContact CG-SD 4.2Å; W173-F188 HydrophobicContact CZ2-CD2 4.47Å; W173-F188 HydrophobicContact CZ2-CE2 4.33Å; W173-Y222 HydrophobicContact CB-CE2 4.28Å; W173-I228 HydrophobicContact CE3-CG2 4.05Å; W173-I228 HydrophobicContact CH2-CG2 4.31Å; W173-I228 HydrophobicContact CZ3-CG2 3.76Å; W173-I228 WeakPolarHBondContact CZ3-O 3.46Å
174G97.4Very high97.1Very high1 Ų132.4 Ų32.41%0.0118%0.176CC..Hα-helixtrans-60.6-41.3175.400000112.1L170 S172 L177 K178 Y221 Y222L170-G174 WeakPolarHBondContact O-CA 3.27Å; L170-G174 PolarHBondContact O-N 2.77Å; S172-G174 PolarHBondContact O-N 2.75Å; G174-L177 PolarHBondContact O-N 2.65Å; G174-K178 VanDerWaalsContact O-CG 3.28Å; G174-K178 WeakPolarHBondContact O-CG 3.13Å; G174-K178 PolarHBondContact O-N 2.85Å; G174-K178 VanDerWaalsContact O-N 3.11Å; G174-Y221 WeakPolarHBondContact CA-O 3.26Å; G174-Y222 VanDerWaalsContact CA-CD2 3.45Å
175E96.3Very high97Very high87 Ų8735.5 Ų35.541%0.40719%0.19SC..Hα-helixtrans-66.2-44.8175-17261.4-162.900112.2W143 T171 S172 W173 L177 K178W143-E175 HydrophobicContact CH2-CB 4.04Å; W143-E175 HydrophobicContact CH2-CG 3.79Å; W143-E175 HydrophobicContact CZ2-CB 3.93Å; W143-E175 HydrophobicContact CZ2-CG 4.21Å; T171-E175 PolarHBondContact O-N 3.29Å; S172-E175 PolarHBondContact O-N 3.33Å; W173-E175 VanDerWaalsContact C-N 3.32Å; W173-E175 PolarHBondContact O-N 2.83Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.22Å; E175-K178 PolarHBondContact O-N 3.08Å; E175-K178 IonicContact OE2-NZ 3.6Å
176L97.4Very high97Very high25 Ų2540.5 Ų40.513%0.13121%0.212CC..Hα-helixtrans-61.1-37.3177.3-71.5171000112.4S172 W173 K180 Y181 M187 T191S172-L176 WeakPolarHBondContact O-CG 3.44Å; S172-L176 PolarHBondContact O-N 2.96Å; W173-L176 PolarHBondContact O-N 2.8Å; L176-K180 HydrophobicContact CD2-CD 4.12Å; L176-K180 WeakPolarHBondContact O-CA 3.32Å; L176-K180 WeakPolarHBondContact O-CB 3.48Å; L176-K180 PolarHBondContact O-N 3.17Å; L176-Y181 HydrophobicContact CB-CD2 4.12Å; L176-Y181 HydrophobicContact CD2-CE2 4.31Å; L176-Y181 PolarHBondContact O-N 3.29Å; L176-M187 HydrophobicContact CB-CG 4.04Å; L176-M187 HydrophobicContact CD1-CG 4.2Å; L176-M187 HydrophobicContact CD1-SD 4.13Å; L176-T191 HydrophobicContact CD1-CG2 4.2Å
177L97Very high97Very high12 Ų1240.5 Ų40.56%0.06321%0.212CC..Hα-helixtrans-82-12.1-179.7-69164.8000114.1W173 G174 E175 Y181 I184 M187 Y222 F224W173-L177 WeakPolarHBondContact O-CB 3.47Å; W173-L177 WeakPolarHBondContact O-CD1 3.5Å; W173-L177 WeakPolarHBondContact O-CG 3.26Å; W173-L177 PolarHBondContact O-N 2.72Å; G174-L177 PolarHBondContact O-N 2.65Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.22Å; L177-Y181 WeakPolarHBondContact CA-O 3.21Å; L177-I184 HydrophobicContact CD1-CB 4.47Å; L177-I184 HydrophobicContact CD1-CD1 3.95Å; L177-I184 HydrophobicContact CD1-CG1 3.97Å; L177-I184 HydrophobicContact CD2-CB 4.18Å; L177-I184 HydrophobicContact CD2-CG1 4.41Å; L177-M187 HydrophobicContact CD1-CE 4.22Å; L177-M187 HydrophobicContact CD2-CB 4.23Å; L177-M187 HydrophobicContact CD2-CG 4.48Å; L177-M187 HydrophobicContact CG-CE 4.48Å; L177-Y222 HydrophobicContact CD1-CE2 4.39Å; L177-F224 HydrophobicContact CB-CB 3.98Å; L177-F224 HydrophobicContact CB-CD2 3.94Å; L177-F224 HydrophobicContact CB-CG 4.02Å; L177-F224 HydrophobicContact CD1-CB 3.89Å; L177-F224 HydrophobicContact CD1-CD1 3.96Å; L177-F224 HydrophobicContact CD1-CG 3.89Å; L177-F224 HydrophobicContact CD2-CD1 4.34Å; L177-F224 HydrophobicContact CD2-CD2 4.18Å; L177-F224 HydrophobicContact CD2-CE1 4.36Å; L177-F224 HydrophobicContact CD2-CE2 4.2Å; L177-F224 HydrophobicContact CD2-CG 4.26Å; L177-F224 HydrophobicContact CD2-CZ 4.29Å; L177-F224 HydrophobicContact CG-CB 4.48Å; L177-F224 HydrophobicContact CG-CD2 4.44Å; L177-F224 HydrophobicContact CG-CG 4.28Å
178K92.6Very high97Very high97 Ų9740.5 Ų40.542%0.42221%0.212SC..Hα-helixtrans-74.9-32.3172.4-81.1169.4-1741740112.5G174 E175 K220G174-K178 VanDerWaalsContact O-CG 3.28Å; G174-K178 WeakPolarHBondContact O-CG 3.13Å; G174-K178 PolarHBondContact O-N 2.85Å; G174-K178 VanDerWaalsContact O-N 3.11Å; E175-K178 PolarHBondContact O-N 3.08Å; E175-K178 IonicContact OE2-NZ 3.6Å; K178-K220 PolarHBondContact NZ-O 3.18Å
179G85.3Confident97Very high73 Ų7344.9 Ų44.975%0.75323%0.232SC*.Hα-helixtrans-136.5-38.9-170.600000116.4
180K96Very high97Very high142 Ų14249.4 Ų49.462%0.61725%0.253SS*.THydrogen-bonded Turntrans-93.2-31.8-169.5-172.3176.3172.9-169.20113.2L176L176-K180 HydrophobicContact CD2-CD 4.12Å; L176-K180 WeakPolarHBondContact O-CA 3.32Å; L176-K180 WeakPolarHBondContact O-CB 3.48Å; L176-K180 PolarHBondContact O-N 3.17Å
181Y98.1Very high97Very high17 Ų1750.1 Ų50.17%0.06726%0.258CS..  trans-130.3136.9-175.9-64.9-81.6000111.2L176 L177 K186 M187 E190 T191L176-Y181 HydrophobicContact CB-CD2 4.12Å; L176-Y181 HydrophobicContact CD2-CE2 4.31Å; L176-Y181 PolarHBondContact O-N 3.29Å; L177-Y181 WeakPolarHBondContact CA-O 3.21Å; Y181-K186 HydrophobicContact CD1-CG 4.32Å; Y181-K186 HydrophobicContact CE1-CG 4.35Å; Y181-M187 HydrophobicContact CD1-CB 4.05Å; Y181-M187 HydrophobicContact CD2-CB 3.87Å; Y181-M187 HydrophobicContact CD2-CG 3.7Å; Y181-M187 HydrophobicContact CE2-CB 4.46Å; Y181-M187 HydrophobicContact CE2-CG 4.2Å; Y181-M187 HydrophobicContact CG-CB 3.64Å; Y181-M187 HydrophobicContact CG-CG 4.01Å; Y181-E190 HydrophobicContact CE1-CB 4.33Å; Y181-E190 HydrophobicContact CE1-CG 4.5Å; Y181-E190 WeakPolarHBondContact CE1-OE2 3.38Å; Y181-E190 PolarHBondContact OH-OE2 2.85Å; Y181-T191 HydrophobicContact CE2-CG2 3.83Å
182D97.1Very high97.1Very high137 Ų13749.9 Ų49.973%0.73326%0.257SS*.SBendtrans-104.6-5.417160.8-8.6000112.5F224D182-F224 WeakPolarHBondContact O-CZ 3.5Å
183N98Very high97.1Very high67 Ų6750.3 Ų50.336%0.35826%0.259SS..  trans-128.5119.1180-179-78.4000110.1E185 K186 M187N183-E185 PolarHBondContact ND2-OE2 3.16Å; N183-E185 PolarHBondContact OD1-N 3.16Å; N183-E185 PolarHBondContact OD1-OE2 2.96Å; N183-K186 HydrophobicContact CB-CB 4.04Å; N183-K186 PolarHBondContact O-N 3.2Å; N183-K186 WeakPolarHBondContact OD1-CB 3.35Å; N183-K186 PolarHBondContact OD1-N 3.27Å; N183-M187 PolarHBondContact O-N 3Å
184I98.6Very high97.1Very high1 Ų153.6 Ų53.61%0.00528%0.28CS..Hα-helixtrans-70-33.6-173.5-166.7167.5000112.8L177 M187 F188 T210 F224 K226 I228L177-I184 HydrophobicContact CD1-CB 4.47Å; L177-I184 HydrophobicContact CD1-CD1 3.95Å; L177-I184 HydrophobicContact CD1-CG1 3.97Å; L177-I184 HydrophobicContact CD2-CB 4.18Å; L177-I184 HydrophobicContact CD2-CG1 4.41Å; I184-M187 HydrophobicContact CG1-CE 3.96Å; I184-M187 PolarHBondContact O-N 2.95Å; I184-F188 PolarHBondContact O-N 2.49Å; I184-T210 HydrophobicContact CG2-CG2 3.92Å; I184-F224 HydrophobicContact CB-CD1 4.4Å; I184-F224 HydrophobicContact CB-CE1 3.89Å; I184-F224 HydrophobicContact CD1-CD1 4.36Å; I184-F224 HydrophobicContact CG2-CE1 4.29Å; I184-K226 WeakPolarHBondContact CD1-O 3.39Å; I184-K226 HydrophobicContact CG2-CB 4.43Å; I184-I228 HydrophobicContact CD1-CB 3.7Å; I184-I228 HydrophobicContact CD1-CG2 3.69Å; I184-I228 HydrophobicContact CG1-CB 3.82Å; I184-I228 HydrophobicContact CG1-CD1 4.49Å; I184-I228 HydrophobicContact CG1-CG2 3.69Å
185E98.5Very high97.2Very high64 Ų6456.1 Ų56.130%0.29929%0.292SS..Hα-helixtrans-67.3-41.9175.5-61.189165.500111.1N183 F188 Q189 T210 I228N183-E185 PolarHBondContact ND2-OE2 3.16Å; N183-E185 PolarHBondContact OD1-N 3.16Å; N183-E185 PolarHBondContact OD1-OE2 2.96Å; E185-F188 PolarHBondContact O-N 3.04Å; E185-Q189 WeakPolarHBondContact O-CB 3.5Å; E185-Q189 VanDerWaalsContact O-CG 3.29Å; E185-Q189 WeakPolarHBondContact O-CG 3.49Å; E185-Q189 PolarHBondContact O-N 3.07Å; E185-T210 HydrophobicContact CG-CG2 4.2Å; E185-T210 VanDerWaalsContact OE1-CG2 3.32Å; E185-T210 WeakPolarHBondContact OE1-CG2 3.16Å; E185-I228 HydrophobicContact CG-CD1 4.38Å
186K98.5Very high97.3Very high106 Ų10652 Ų5246%0.46127%0.272SS..Hα-helixtrans-63.8-43.4174.7-174.4179.5176-175.20111.5Y181 N183 F188 Q189 E190Y181-K186 HydrophobicContact CD1-CG 4.32Å; Y181-K186 HydrophobicContact CE1-CG 4.35Å; N183-K186 HydrophobicContact CB-CB 4.04Å; N183-K186 PolarHBondContact O-N 3.2Å; N183-K186 WeakPolarHBondContact OD1-CB 3.35Å; N183-K186 PolarHBondContact OD1-N 3.27Å; K186-F188 VanDerWaalsContact C-N 3.29Å; K186-F188 PolarHBondContact O-N 2.75Å; K186-Q189 PolarHBondContact O-N 3.34Å; K186-E190 WeakPolarHBondContact CE-OE1 3.35Å; K186-E190 HydrophobicContact CG-CG 4.42Å; K186-E190 IonicContact NZ-OE1 2.8Å; K186-E190 PolarHBondContact O-N 3.11Å
187M98.8Very high97.3Very high0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-54.3-48.5173.1-179.4-80.3-68.200110.5W173 L176 L177 Y181 N183 I184 T191W173-M187 HydrophobicContact CB-CE 3.73Å; W173-M187 HydrophobicContact CD2-CE 4.04Å; W173-M187 HydrophobicContact CG-CE 3.63Å; W173-M187 HydrophobicContact CG-SD 4.2Å; L176-M187 HydrophobicContact CB-CG 4.04Å; L176-M187 HydrophobicContact CD1-CG 4.2Å; L176-M187 HydrophobicContact CD1-SD 4.13Å; L177-M187 HydrophobicContact CD1-CE 4.22Å; L177-M187 HydrophobicContact CD2-CB 4.23Å; L177-M187 HydrophobicContact CD2-CG 4.48Å; L177-M187 HydrophobicContact CG-CE 4.48Å; Y181-M187 HydrophobicContact CD1-CB 4.05Å; Y181-M187 HydrophobicContact CD2-CB 3.87Å; Y181-M187 HydrophobicContact CD2-CG 3.7Å; Y181-M187 HydrophobicContact CE2-CB 4.46Å; Y181-M187 HydrophobicContact CE2-CG 4.2Å; Y181-M187 HydrophobicContact CG-CB 3.64Å; Y181-M187 HydrophobicContact CG-CG 4.01Å; N183-M187 PolarHBondContact O-N 3Å; I184-M187 HydrophobicContact CG1-CE 3.96Å; I184-M187 PolarHBondContact O-N 2.95Å; M187-T191 WeakPolarHBondContact O-CB 3.05Å; M187-T191 WeakPolarHBondContact O-CG2 3.39Å; M187-T191 PolarHBondContact O-N 3.46Å; M187-T191 PolarHBondContact O-OG1 2.83Å; M187-T191 PolarHBondContact SD-OG1 3.48Å
188F98.8Very high97.3Very high0 Ų059.7 Ų59.70%031%0.309CS..Hα-helixtrans-64.7-46.6179.2-168.5-84.1000112.3W173 I184 E185 K186 E190 Q192 V193 L196 I206 T208 I228 P230W173-F188 HydrophobicContact CZ2-CD2 4.47Å; W173-F188 HydrophobicContact CZ2-CE2 4.33Å; I184-F188 PolarHBondContact O-N 2.49Å; E185-F188 PolarHBondContact O-N 3.04Å; K186-F188 VanDerWaalsContact C-N 3.29Å; K186-F188 PolarHBondContact O-N 2.75Å; F188-E190 VanDerWaalsContact C-N 3.33Å; F188-E190 PolarHBondContact O-N 3.21Å; F188-Q192 HydrophobicContact CB-CG 4.43Å; F188-Q192 HydrophobicContact CD1-CB 4.1Å; F188-Q192 HydrophobicContact CD2-CB 3.91Å; F188-Q192 HydrophobicContact CD2-CG 3.56Å; F188-Q192 HydrophobicContact CE1-CB 4.01Å; F188-Q192 HydrophobicContact CE2-CB 3.8Å; F188-Q192 HydrophobicContact CE2-CG 3.77Å; F188-Q192 HydrophobicContact CG-CB 4.03Å; F188-Q192 HydrophobicContact CG-CG 3.95Å; F188-Q192 HydrophobicContact CZ-CB 3.84Å; F188-Q192 HydrophobicContact CZ-CG 4.34Å; F188-Q192 WeakPolarHBondContact O-CA 3.34Å; F188-Q192 WeakPolarHBondContact O-CB 3.28Å; F188-Q192 PolarHBondContact O-N 2.92Å; F188-V193 HydrophobicContact CD1-CG2 3.99Å; F188-V193 HydrophobicContact CE1-CG2 3.94Å; F188-V193 PolarHBondContact O-N 3.31Å; F188-L196 HydrophobicContact CE1-CD1 4.14Å; F188-L196 HydrophobicContact CZ-CD1 3.99Å; F188-I206 HydrophobicContact CE1-CG2 4.3Å; F188-T208 HydrophobicContact CD1-CG2 3.7Å; F188-T208 HydrophobicContact CD2-CG2 4.47Å; F188-T208 HydrophobicContact CE1-CG2 3.71Å; F188-T208 HydrophobicContact CE2-CG2 4.5Å; F188-T208 HydrophobicContact CG-CG2 4.12Å; F188-T208 HydrophobicContact CZ-CG2 4.14Å; F188-I228 HydrophobicContact CB-CD1 3.68Å; F188-I228 HydrophobicContact CD2-CD1 4.23Å; F188-I228 HydrophobicContact CD2-CG2 4.23Å; F188-I228 HydrophobicContact CG-CD1 3.96Å; F188-P230 HydrophobicContact CE1-CB 4.41Å; F188-P230 HydrophobicContact CE2-CB 3.62Å; F188-P230 HydrophobicContact CE2-CG 4.02Å; F188-P230 HydrophobicContact CZ-CB 3.44Å; F188-P230 VanDerWaalsContact CZ-CB 3.44Å; F188-P230 HydrophobicContact CZ-CG 4.25Å
189Q98.6Very high97.5Very high91 Ų9155.6 Ų55.643%0.42529%0.293SS..Hα-helixtrans-59.3-42.1179.2-72.4-61.1-46.500112.6E185 K186E185-Q189 WeakPolarHBondContact O-CB 3.5Å; E185-Q189 VanDerWaalsContact O-CG 3.29Å; E185-Q189 WeakPolarHBondContact O-CG 3.49Å; E185-Q189 PolarHBondContact O-N 3.07Å; K186-Q189 PolarHBondContact O-N 3.34Å
190E98.6Very high98.1Very high99 Ų9954.2 Ų54.246%0.46328%0.279SS..Hα-helixtrans-81.9-32.5-176.2-70.2-175.2-167.800113.6Y181 K186 F188Y181-E190 HydrophobicContact CE1-CB 4.33Å; Y181-E190 HydrophobicContact CE1-CG 4.5Å; Y181-E190 WeakPolarHBondContact CE1-OE2 3.38Å; Y181-E190 PolarHBondContact OH-OE2 2.85Å; K186-E190 WeakPolarHBondContact CE-OE1 3.35Å; K186-E190 HydrophobicContact CG-CG 4.42Å; K186-E190 IonicContact NZ-OE1 2.8Å; K186-E190 PolarHBondContact O-N 3.11Å; F188-E190 VanDerWaalsContact C-N 3.33Å; F188-E190 PolarHBondContact O-N 3.21Å
191T98.5Very high98.2Very high25 Ų2547.8 Ų47.815%0.15325%0.251CS..Hα-helixtrans-106-18.9-170.868.90000114.2L176 Y181 M187L176-T191 HydrophobicContact CD1-CG2 4.2Å; Y181-T191 HydrophobicContact CE2-CG2 3.83Å; M187-T191 WeakPolarHBondContact O-CB 3.05Å; M187-T191 WeakPolarHBondContact O-CG2 3.39Å; M187-T191 PolarHBondContact O-N 3.46Å; M187-T191 PolarHBondContact O-OG1 2.83Å; M187-T191 PolarHBondContact SD-OG1 3.48Å
192Q98.7Very high98.2Very high3 Ų350.9 Ų50.91%0.01427%0.265CS..THydrogen-bonded Turntrans-113.6-49.8-172.6-51.9-57.5-58.900112.1F148 Y167 F188 P194 H195 L196F148-Q192 VanDerWaalsContact CZ-OE1 3.25Å; Y167-Q192 WeakPolarHBondContact OH-CB 3.45Å; Y167-Q192 PolarHBondContact OH-OE1 2.79Å; F188-Q192 HydrophobicContact CB-CG 4.43Å; F188-Q192 HydrophobicContact CD1-CB 4.1Å; F188-Q192 HydrophobicContact CD2-CB 3.91Å; F188-Q192 HydrophobicContact CD2-CG 3.56Å; F188-Q192 HydrophobicContact CE1-CB 4.01Å; F188-Q192 HydrophobicContact CE2-CB 3.8Å; F188-Q192 HydrophobicContact CE2-CG 3.77Å; F188-Q192 HydrophobicContact CG-CB 4.03Å; F188-Q192 HydrophobicContact CG-CG 3.95Å; F188-Q192 HydrophobicContact CZ-CB 3.84Å; F188-Q192 HydrophobicContact CZ-CG 4.34Å; F188-Q192 WeakPolarHBondContact O-CA 3.34Å; F188-Q192 WeakPolarHBondContact O-CB 3.28Å; F188-Q192 PolarHBondContact O-N 2.92Å; Q192-P194 VanDerWaalsContact C-CD 3.5Å; Q192-H195 PolarHBondContact O-N 3.46Å; Q192-H195 VanDerWaalsContact O-N 3.09Å; Q192-L196 PolarHBondContact O-N 2.72Å
193V98.6Very high98.2Very high9 Ų951.1 Ų51.16%0.05526%0.259CS..Hα-helixtrans-55.2-42.8-173.5174.60000113.8F188 H195 L196 L197 I206F188-V193 HydrophobicContact CD1-CG2 3.99Å; F188-V193 HydrophobicContact CE1-CG2 3.94Å; F188-V193 PolarHBondContact O-N 3.31Å; V193-H195 VanDerWaalsContact C-N 3.26Å; V193-H195 PolarHBondContact O-N 3.13Å; V193-L196 PolarHBondContact O-N 2.83Å; V193-L196 VanDerWaalsContact O-N 3.09Å; V193-L197 HydrophobicContact CG1-CD1 4.04Å; V193-L197 HydrophobicContact CG1-CG 4.09Å; V193-L197 WeakPolarHBondContact O-CG 3.5Å; V193-L197 PolarHBondContact O-N 3.4Å; V193-I206 HydrophobicContact CG1-CD1 4.44Å; V193-I206 HydrophobicContact CG2-CG2 4.43Å
194P98.6Very high98.2Very high69 Ų6954.6 Ų54.645%0.44827%0.274SS..Hα-helixtrans-55.1-40.2178-27.636.4000113.5Q192 L197 E198Q192-P194 VanDerWaalsContact C-CD 3.5Å; P194-L197 PolarHBondContact O-N 3.22Å; P194-E198 WeakPolarHBondContact O-CB 3.37Å; P194-E198 PolarHBondContact O-N 3.34Å
195H98.3Very high98.2Very high54 Ų5458.1 Ų58.125%0.2529%0.289CS..Hα-helixtrans-72-33.7178.4-66.3-59.1000112.9F148 K152 Q192 V193 E198 A199F148-H195 HydrophobicContact CD1-CB 3.47Å; F148-H195 VanDerWaalsContact CD1-CB 3.47Å; F148-H195 AromaticContact CD1-CG 3.9Å; F148-H195 HydrophobicContact CD2-CB 4.32Å; F148-H195 AromaticContact CD2-CD2 3.53Å; F148-H195 AromaticContact CD2-CG 3.81Å; F148-H195 AromaticContact CD2-NE2 3.89Å; F148-H195 HydrophobicContact CE1-CB 3.61Å; F148-H195 AromaticContact CE1-CD2 3.82Å; F148-H195 AromaticContact CE1-CG 3.97Å; F148-H195 HydrophobicContact CE2-CB 4.43Å; F148-H195 AromaticContact CE2-CD2 3.19Å; F148-H195 WeakPolarHBondContact CE2-CD2 3.33Å; F148-H195 AromaticContact CE2-CG 3.89Å; F148-H195 AromaticContact CE2-NE2 3.69Å; F148-H195 HydrophobicContact CG-CB 3.87Å; F148-H195 AromaticContact CG-CD2 3.99Å; F148-H195 AromaticContact CG-CG 3.83Å; F148-H195 HydrophobicContact CZ-CB 4.1Å; F148-H195 AromaticContact CZ-CD2 3.34Å; F148-H195 WeakPolarHBondContact CZ-CD2 3.33Å; F148-H195 AromaticContact CZ-CG 3.95Å; K152-H195 PolarHBondContact NZ-ND1 2.83Å; Q192-H195 PolarHBondContact O-N 3.46Å; Q192-H195 VanDerWaalsContact O-N 3.09Å; V193-H195 VanDerWaalsContact C-N 3.26Å; V193-H195 PolarHBondContact O-N 3.13Å; H195-E198 IonicContact ND1-OE2 3.2Å; H195-E198 PolarHBondContact O-N 2.96Å; H195-A199 WeakPolarHBondContact O-CB 3.12Å; H195-A199 PolarHBondContact O-N 3.02Å
196L98.5Very high98.2Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-66.4-39.9174.4-61.7175.1000111.6I151 Y167 F188 Q192 V193 A199 F201 I206 I232I151-L196 HydrophobicContact CD1-CD2 4.33Å; I151-L196 HydrophobicContact CG2-CD2 3.95Å; Y167-L196 HydrophobicContact CE1-CD2 3.99Å; F188-L196 HydrophobicContact CE1-CD1 4.14Å; F188-L196 HydrophobicContact CZ-CD1 3.99Å; Q192-L196 PolarHBondContact O-N 2.72Å; V193-L196 PolarHBondContact O-N 2.83Å; V193-L196 VanDerWaalsContact O-N 3.09Å; L196-A199 WeakPolarHBondContact O-CB 3.22Å; L196-A199 PolarHBondContact O-N 3.45Å; L196-F201 WeakPolarHBondContact O-CB 3.36Å; L196-F201 WeakPolarHBondContact O-CD2 3.45Å; L196-F201 PolarHBondContact O-N 3.12Å; L196-F201 VanDerWaalsContact O-N 3.16Å; L196-I206 HydrophobicContact CB-CD1 3.62Å; L196-I206 HydrophobicContact CB-CG1 4.49Å; L196-I206 HydrophobicContact CD1-CD1 4.06Å; L196-I206 HydrophobicContact CD1-CG1 4.35Å; L196-I206 HydrophobicContact CD1-CG2 3.94Å; L196-I206 HydrophobicContact CG-CD1 4.5Å; L196-I232 HydrophobicContact CD1-CD1 4.35Å; L196-I232 HydrophobicContact CD1-CG1 3.9Å; L196-I232 HydrophobicContact CD2-CG1 4.25Å
197L98.2Very high98.2Very high73 Ų7354.1 Ų54.138%0.38228%0.279SS..Hα-helixtrans-66.4-42.1175-62.2179.2000111.4V193 P194 A199 G200 F201 K203 I206V193-L197 HydrophobicContact CG1-CD1 4.04Å; V193-L197 HydrophobicContact CG1-CG 4.09Å; V193-L197 WeakPolarHBondContact O-CG 3.5Å; V193-L197 PolarHBondContact O-N 3.4Å; P194-L197 PolarHBondContact O-N 3.22Å; L197-A199 VanDerWaalsContact C-N 3.25Å; L197-A199 PolarHBondContact O-N 3.21Å; L197-G200 PolarHBondContact O-N 3.36Å; L197-F201 WeakPolarHBondContact CD2-O 3.44Å; L197-K203 HydrophobicContact CD2-CB 3.94Å; L197-I206 HydrophobicContact CD2-CD1 3.97Å
198E97.4Very high98.2Very high127 Ų12756.2 Ų56.259%0.59329%0.292SS*.Hα-helixtrans-62.1-33.4174.9-166.9-171.3154.300112.2K152 P194 H195 G200K152-E198 WeakPolarHBondContact CE-OE1 3.27Å; K152-E198 WeakPolarHBondContact CE-OE2 3.36Å; K152-E198 IonicContact NZ-OE1 2.81Å; K152-E198 PolarHBondContact NZ-OE1 3.48Å; K152-E198 IonicContact NZ-OE2 2.71Å; K152-E198 PolarHBondContact NZ-OE2 3.15Å; P194-E198 WeakPolarHBondContact O-CB 3.37Å; P194-E198 PolarHBondContact O-N 3.34Å; H195-E198 IonicContact ND1-OE2 3.2Å; H195-E198 PolarHBondContact O-N 2.96Å; E198-G200 PolarHBondContact O-N 2.97Å
199A96.9Very high98.2Very high10 Ų1059.9 Ų59.98%0.08332%0.315CS..THydrogen-bonded Turntrans-72-2.5173.900000114.2I151 K152 H156 H195 L196 L197 F201I151-A199 HydrophobicContact CG2-CB 3.77Å; K152-A199 HydrophobicContact CB-CB 4.33Å; K152-A199 HydrophobicContact CG-CB 3.94Å; H156-A199 WeakPolarHBondContact CB-O 3.4Å; H195-A199 WeakPolarHBondContact O-CB 3.12Å; H195-A199 PolarHBondContact O-N 3.02Å; L196-A199 WeakPolarHBondContact O-CB 3.22Å; L196-A199 PolarHBondContact O-N 3.45Å; L197-A199 VanDerWaalsContact C-N 3.25Å; L197-A199 PolarHBondContact O-N 3.21Å; A199-F201 HydrophobicContact CB-CD2 4.06Å; A199-F201 HydrophobicContact CB-CE2 4.23Å
200G96.6Very high98.2Very high44 Ų4458.2 Ų58.245%0.45431%0.311SS..THydrogen-bonded Turntrans96.20.7176.600000115.2L197 E198L197-G200 PolarHBondContact O-N 3.36Å; E198-G200 PolarHBondContact O-N 2.97Å
201F98.1Very high98.2Very high7 Ų755.7 Ų55.73%0.03130%0.3CS..  trans-74.8144.4174.1-63.3-76.8000111.4I151 A155 H156 L159 L165 L196 L197 A199 I206 I232 K234I151-F201 HydrophobicContact CG2-CE2 4Å; A155-F201 HydrophobicContact CB-CZ 4.46Å; H156-F201 HydrophobicContact CB-CE2 4.36Å; H156-F201 HydrophobicContact CB-CZ 4.17Å; H156-F201 AromaticContact CD2-CE1 3.93Å; L159-F201 HydrophobicContact CD1-CE1 4.06Å; L159-F201 HydrophobicContact CD1-CZ 4.14Å; L165-F201 HydrophobicContact CD2-CE2 4.06Å; L165-F201 HydrophobicContact CD2-CZ 4.09Å; L196-F201 WeakPolarHBondContact O-CB 3.36Å; L196-F201 WeakPolarHBondContact O-CD2 3.45Å; L196-F201 PolarHBondContact O-N 3.12Å; L196-F201 VanDerWaalsContact O-N 3.16Å; L197-F201 WeakPolarHBondContact CD2-O 3.44Å; A199-F201 HydrophobicContact CB-CD2 4.06Å; A199-F201 HydrophobicContact CB-CE2 4.23Å; F201-I206 HydrophobicContact CB-CD1 4.37Å; F201-I206 HydrophobicContact CB-CG1 4.43Å; F201-I232 HydrophobicContact CB-CG2 3.8Å; F201-I232 HydrophobicContact CD1-CG2 3.23Å; F201-I232 HydrophobicContact CD2-CG2 3.71Å; F201-I232 HydrophobicContact CE1-CG2 3.57Å; F201-I232 HydrophobicContact CE2-CG2 4.03Å; F201-I232 HydrophobicContact CG-CG2 3.28Å; F201-I232 HydrophobicContact CZ-CG2 3.96Å; F201-K234 HydrophobicContact CE1-CB 4.24Å
202K98Very high98.2Very high82 Ų8260.3 Ų60.336%0.35732%0.323SS..  trans-84.1143.7176.9-65.3-172169.3-1790111.4E204 K205 I206 E235K202-E204 VanDerWaalsContact C-N 3.28Å; K202-E204 HydrophobicContact CB-CG 4.41Å; K202-E204 WeakPolarHBondContact CD-OE1 3.48Å; K202-E204 PolarHBondContact O-N 3.35Å; K202-K205 HydrophobicContact CB-CB 4.48Å; K202-K205 HydrophobicContact CB-CG 4.09Å; K202-K205 WeakPolarHBondContact O-CA 3.19Å; K202-K205 WeakPolarHBondContact O-CB 3.41Å; K202-K205 PolarHBondContact O-N 2.92Å; K202-I206 PolarHBondContact O-N 3.19Å; K202-E235 WeakPolarHBondContact CD-OE2 3.39Å; K202-E235 WeakPolarHBondContact CE-OE2 3.05Å; K202-E235 IonicContact NZ-OE1 3.92Å; K202-E235 PolarHBondContact NZ-OE1 3.39Å; K202-E235 IonicContact NZ-OE2 3.97Å; K202-E235 PolarHBondContact NZ-OE2 3.17Å
203K97.9Very high98.1Very high142 Ų14261.2 Ų61.262%0.61733%0.328SS*.G310 helixtrans-56.4-42-177.5-172.8175.2179.9176.60112.4L197 K205 I206L197-K203 HydrophobicContact CD2-CB 3.94Å; K203-K205 PolarHBondContact O-N 3.26Å; K203-I206 PolarHBondContact O-N 3.08Å; K203-I206 VanDerWaalsContact O-N 3.15Å
204E98.1Very high98Very high140 Ų14066.6 Ų66.665%0.65435%0.352SS*.G310 helixtrans-69.7-10.5178.465.5-88.7-154.200114.2K202K202-E204 VanDerWaalsContact C-N 3.28Å; K202-E204 HydrophobicContact CB-CG 4.41Å; K202-E204 WeakPolarHBondContact CD-OE1 3.48Å; K202-E204 PolarHBondContact O-N 3.35Å
205K98.5Very high97.9Very high76 Ų7663.7 Ų63.733%0.3333%0.334SS..G310 helixtrans-100.80.8174.4-59.1-62.6-173.31750113.1K202 K203 I232 V233K202-K205 HydrophobicContact CB-CB 4.48Å; K202-K205 HydrophobicContact CB-CG 4.09Å; K202-K205 WeakPolarHBondContact O-CA 3.19Å; K202-K205 WeakPolarHBondContact O-CB 3.41Å; K202-K205 PolarHBondContact O-N 2.92Å; K203-K205 PolarHBondContact O-N 3.26Å; K205-I232 WeakPolarHBondContact O-CA 3.43Å; K205-V233 HydrophobicContact CB-CB 4.29Å; K205-V233 WeakPolarHBondContact CB-O 3.48Å; K205-V233 HydrophobicContact CD-CB 4.42Å; K205-V233 PolarHBondContact O-N 2.71Å
206I98.7Very high97.9Very high22 Ų2262.8 Ų62.811%0.11333%0.333CS..EExtended strand (participates in β ladder)trans-102.4119.7175.5-60165.3000107.7F188 V193 L196 L197 F201 K202 K203 I232F188-I206 HydrophobicContact CE1-CG2 4.3Å; V193-I206 HydrophobicContact CG1-CD1 4.44Å; V193-I206 HydrophobicContact CG2-CG2 4.43Å; L196-I206 HydrophobicContact CB-CD1 3.62Å; L196-I206 HydrophobicContact CB-CG1 4.49Å; L196-I206 HydrophobicContact CD1-CD1 4.06Å; L196-I206 HydrophobicContact CD1-CG1 4.35Å; L196-I206 HydrophobicContact CD1-CG2 3.94Å; L196-I206 HydrophobicContact CG-CD1 4.5Å; L197-I206 HydrophobicContact CD2-CD1 3.97Å; F201-I206 HydrophobicContact CB-CD1 4.37Å; F201-I206 HydrophobicContact CB-CG1 4.43Å; K202-I206 PolarHBondContact O-N 3.19Å; K203-I206 PolarHBondContact O-N 3.08Å; K203-I206 VanDerWaalsContact O-N 3.15Å; I206-I232 HydrophobicContact CG1-CG1 4.33Å; I206-I232 HydrophobicContact CG1-CG2 4.21Å; I206-I232 HydrophobicContact CG2-CG1 4.4Å
207S98.8Very high97.7Very high64 Ų6469.8 Ų69.845%0.44838%0.375SS..EExtended strand (participates in β ladder)trans-135.9161.7174.859.30000110.3T231S207-T231 PolarHBondContact N-O 2.9Å; S207-T231 PolarHBondContact O-N 3.21Å; S207-T231 PolarHBondContact OG-O 3.45Å
208T98.8Very high97.4Very high44 Ų4472.3 Ų72.327%0.2739%0.386SS..EExtended strand (participates in β ladder)trans-135.6147.1177.856.90000109.9F188 I228 T229 P230F188-T208 HydrophobicContact CD1-CG2 3.7Å; F188-T208 HydrophobicContact CD2-CG2 4.47Å; F188-T208 HydrophobicContact CE1-CG2 3.71Å; F188-T208 HydrophobicContact CE2-CG2 4.5Å; F188-T208 HydrophobicContact CG-CG2 4.12Å; F188-T208 HydrophobicContact CZ-CG2 4.14Å; T208-I228 HydrophobicContact CG2-CD1 3.77Å; T208-I228 HydrophobicContact CG2-CG1 3.96Å; T208-T229 WeakPolarHBondContact CA-O 3.44Å; T208-P230 HydrophobicContact CG2-CB 4.34Å
209T98.6Very high97.3Very high76 Ų7667 Ų6747%0.46636%0.362SS..EExtended strand (participates in β ladder)trans-115.4150.4163.855.60000108.7I228 T229T209-I228 CarbonylContact O-C 3.16Å; T209-I228 WeakPolarHBondContact O-CA 3.46Å; T209-T229 PolarHBondContact N-O 2.81Å; T209-T229 PolarHBondContact O-N 3.28Å
210T98.5Very high97.1Very high57 Ų5772.7 Ų72.735%0.3539%0.385SS..EExtended strand (participates in β ladder)trans-116153173.653.80000110.7I184 E185 M227 I228I184-T210 HydrophobicContact CG2-CG2 3.92Å; E185-T210 HydrophobicContact CG-CG2 4.2Å; E185-T210 VanDerWaalsContact OE1-CG2 3.32Å; E185-T210 WeakPolarHBondContact OE1-CG2 3.16Å; T210-M227 VanDerWaalsContact CA-O 3.23Å; T210-M227 WeakPolarHBondContact CA-O 3.29Å; T210-M227 WeakPolarHBondContact CB-O 3.42Å; T210-I228 HydrophobicContact CG2-CB 4.2Å; T210-I228 HydrophobicContact CG2-CD1 4.33Å; T210-I228 HydrophobicContact CG2-CG1 3.99Å
211M98.1Very high97Very high46 Ų4670.9 Ų70.923%0.22737%0.365CS..EExtended strand (participates in β ladder)trans-136.9142.9172.565.3-176-61.600110P47 Y48 K226 M227P47-M211 HydrophobicContact CB-CE 3.47Å; P47-M211 VanDerWaalsContact CB-CE 3.47Å; Y48-M211 HydrophobicContact CD2-SD 4.12Å; M211-K226 CarbonylContact O-C 3.56Å; M211-K226 VanDerWaalsContact O-CA 3.22Å; M211-K226 WeakPolarHBondContact O-CA 3.44Å; M211-M227 HydrophobicContact CG-CB 3.86Å; M211-M227 PolarHBondContact N-O 2.77Å; M211-M227 PolarHBondContact O-N 3.21Å
212D98.3Very high97Very high122 Ų12270.6 Ų70.665%0.65236%0.363SS*.EExtended strand (participates in β ladder)trans-72.7139.2170.7-62-33.2000109.3K226D212-K226 VanDerWaalsContact OD1-CE 3.22Å; D212-K226 WeakPolarHBondContact OD1-CE 3.03Å; D212-K226 IonicContact OD1-NZ 3.92Å
213I97.1Very high96.9Very high21 Ų2170 Ų7011%0.10837%0.369CS..  trans-148.1152.6175.7-162159.5000108.9W44 P215 K225 M227W44-I213 HydrophobicContact CE3-CD1 3.91Å; W44-I213 HydrophobicContact CE3-CG1 4.31Å; W44-I213 HydrophobicContact CZ3-CD1 3.78Å; W44-I213 HydrophobicContact CZ3-CG1 4.19Å; W44-I213 HydrophobicContact CZ3-CG2 4.49Å; I213-P215 HydrophobicContact CG2-CG 4.44Å; I213-K225 PolarHBondContact N-O 3.21Å; I213-K225 CarbonylContact O-C 3.49Å; I213-K225 WeakPolarHBondContact O-CA 3.47Å; I213-K225 WeakPolarHBondContact O-CB 3.37Å; I213-M227 HydrophobicContact CB-CG 4.4Å; I213-M227 HydrophobicContact CD1-CG 4.36Å; I213-M227 HydrophobicContact CG2-CE 4.18Å; I213-M227 HydrophobicContact CG2-CG 3.66Å
214E96.6Very high96.9Very high122 Ų12265.4 Ų65.457%0.5735%0.35SS*.  trans-116.798.2172.6-168.673.7-140.600107.9K225E214-K225 WeakPolarHBondContact OE1-CE 3.28Å; E214-K225 IonicContact OE1-NZ 2.71Å; E214-K225 PolarHBondContact OE1-NZ 2.78Å; E214-K225 WeakPolarHBondContact OE2-CD 3.48Å; E214-K225 WeakPolarHBondContact OE2-CE 3.41Å; E214-K225 IonicContact OE2-NZ 3.92Å; E214-K225 PolarHBondContact OE2-NZ 3.12Å
215P96.8Very high96.9Very high8 Ų864.3 Ų64.35%0.05234%0.343CS..  trans-60.7146.6172.6-18.831.8000110.2W44 I213 C219 Y222 F224W44-P215 HydrophobicContact CE3-CB 4.28Å; W44-P215 HydrophobicContact CH2-CB 3.86Å; W44-P215 HydrophobicContact CH2-CG 4.01Å; W44-P215 HydrophobicContact CZ2-CB 4.27Å; W44-P215 HydrophobicContact CZ3-CB 3.86Å; W44-P215 HydrophobicContact CZ3-CG 3.9Å; I213-P215 HydrophobicContact CG2-CG 4.44Å; P215-C219 HydrophobicContact CB-CB 4.3Å; P215-Y222 WeakPolarHBondContact CB-O 3.41Å; P215-Y222 HydrophobicContact CG-CD1 3.84Å; P215-F224 WeakPolarHBondContact CG-O 3.18Å
216P96.8Very high96.9Very high35 Ų3564.3 Ų64.323%0.22734%0.342CS..  trans-55.1146.4171.8-22.332.2000111.2W44 E218 C219W44-P216 HydrophobicContact CB-CG 3.81Å; W44-P216 HydrophobicContact CD2-CG 4.36Å; W44-P216 HydrophobicContact CG-CG 3.68Å; P216-E218 HydrophobicContact CB-CG 4.17Å; P216-E218 WeakPolarHBondContact CB-OE1 3.22Å; P216-E218 WeakPolarHBondContact CB-OE2 3.33Å; P216-E218 PolarHBondContact O-N 2.92Å; P216-C219 WeakPolarHBondContact O-CB 3.41Å; P216-C219 PolarHBondContact O-N 2.81Å
217T93.8Very high96.9Very high147 Ų14763.2 Ų63.290%0.90234%0.337SS*.THydrogen-bonded Turntrans-66-22.3-17752.30000112.5
218E92.4Very high96.9Very high127 Ų12760.2 Ų60.259%0.59332%0.316SS*.THydrogen-bonded Turntrans-83.4-6.8174.470.6-85.2-156.800114.2P216 K220P216-E218 HydrophobicContact CB-CG 4.17Å; P216-E218 WeakPolarHBondContact CB-OE1 3.22Å; P216-E218 WeakPolarHBondContact CB-OE2 3.33Å; P216-E218 PolarHBondContact O-N 2.92Å; E218-K220 PolarHBondContact O-N 2.77Å
219C95.1Very high96.9Very high14 Ų1458.1 Ų58.110%0.09530%0.303CS..  trans-60.9120.6-179.3-175.70000110.5P215 P216 Y221 Y222P215-C219 HydrophobicContact CB-CB 4.3Å; P216-C219 WeakPolarHBondContact O-CB 3.41Å; P216-C219 PolarHBondContact O-N 2.81Å; C219-Y221 VanDerWaalsContact SG-CE1 3.59Å; C219-Y222 WeakPolarHBondContact CB-O 3.5Å; C219-Y222 PolarHBondContact SG-N 3.22Å; C219-Y222 PolarHBondContact SG-O 3.36Å; C219-Y222 VanDerWaalsContact SG-O 3.36Å
220K92.9Very high96.9Very high131 Ų13154.5 Ų54.557%0.5728%0.281SS*.SBendtrans-78.6-30.4-172-62.7175.6-174.1164.50112.5K178 E218K178-K220 PolarHBondContact NZ-O 3.18Å; E218-K220 PolarHBondContact O-N 2.77Å
221Y95.4Very high96.9Very high6 Ų653.1 Ų53.12%0.02427%0.272CS..SBendtrans-106.4-21.8-169.655.4-83.1000113.9P39 E42 W44 E45 L170 T171 G174 C219P39-Y221 HydrophobicContact CB-CD1 4.13Å; P39-Y221 HydrophobicContact CB-CE1 3.98Å; P39-Y221 HydrophobicContact CG-CD1 3.79Å; P39-Y221 HydrophobicContact CG-CE1 4.16Å; E42-Y221 HydrophobicContact CG-CE1 4.37Å; E42-Y221 WeakPolarHBondContact CG-OH 3.5Å; W44-Y221 AromaticContact CZ2-CE2 3.95Å; W44-Y221 HydrophobicContact CZ2-CE2 3.95Å; W44-Y221 AromaticContact CZ2-CZ 3.97Å; W44-Y221 PolarHBondContact NE1-OH 2.93Å; E45-Y221 PolarHBondContact OE1-OH 3.01Å; L170-Y221 HydrophobicContact CB-CD2 4.21Å; L170-Y221 HydrophobicContact CB-CE2 4.24Å; L170-Y221 HydrophobicContact CD1-CE2 4.44Å; T171-Y221 HydrophobicContact CG2-CD2 4.39Å; T171-Y221 HydrophobicContact CG2-CG 4.28Å; G174-Y221 WeakPolarHBondContact CA-O 3.26Å; C219-Y221 VanDerWaalsContact SG-CE1 3.59Å
222Y97.2Very high96.9Very high0 Ų050.9 Ų50.90%026%0.261CS..  trans-137.8129.7-175.5-149.8-89.5000112.4W44 L170 W173 G174 L177 P215 C219 F224 K226 M227W44-Y222 HydrophobicContact CH2-CD1 4.17Å; W44-Y222 HydrophobicContact CH2-CG 4.31Å; L170-Y222 HydrophobicContact CB-CD2 4.3Å; L170-Y222 HydrophobicContact CD2-CD2 4.26Å; L170-Y222 HydrophobicContact CD2-CE2 4.01Å; L170-Y222 WeakPolarHBondContact O-CD2 3.49Å; W173-Y222 HydrophobicContact CB-CE2 4.28Å; G174-Y222 VanDerWaalsContact CA-CD2 3.45Å; L177-Y222 HydrophobicContact CD1-CE2 4.39Å; P215-Y222 WeakPolarHBondContact CB-O 3.41Å; P215-Y222 HydrophobicContact CG-CD1 3.84Å; C219-Y222 WeakPolarHBondContact CB-O 3.5Å; C219-Y222 PolarHBondContact SG-N 3.22Å; C219-Y222 PolarHBondContact SG-O 3.36Å; C219-Y222 VanDerWaalsContact SG-O 3.36Å; Y222-F224 HydrophobicContact CD1-CB 4.45Å; Y222-F224 HydrophobicContact CE1-CB 3.79Å; Y222-F224 WeakPolarHBondContact CE1-O 3.5Å; Y222-K226 WeakPolarHBondContact CE1-O 3.44Å; Y222-K226 PolarHBondContact OH-O 3.33Å; Y222-M227 HydrophobicContact CD1-CE 3.62Å; Y222-M227 HydrophobicContact CD1-SD 4.31Å; Y222-M227 HydrophobicContact CD2-CE 4.38Å; Y222-M227 HydrophobicContact CE1-CE 3.48Å; Y222-M227 VanDerWaalsContact CE1-CE 3.48Å; Y222-M227 HydrophobicContact CE1-SD 3.59Å; Y222-M227 VanDerWaalsContact CE1-SD 3.59Å; Y222-M227 HydrophobicContact CE2-CE 4.29Å; Y222-M227 HydrophobicContact CE2-SD 4.05Å; Y222-M227 HydrophobicContact CG-CE 4.06Å; Y222-M227 PolarHBondContact OH-SD 3Å
223S96.7Very high96.9Very high70 Ų7046.6 Ų46.649%0.4924%0.24SC..  trans-134.6-2.5178.662.10000113.5
224F97.8Very high97Very high46 Ų4646.4 Ų46.420%0.20224%0.238CC..  trans-75.9141.5178.5-158.8-105.1000109.8L177 D182 I184 P215 Y222 K226L177-F224 HydrophobicContact CB-CB 3.98Å; L177-F224 HydrophobicContact CB-CD2 3.94Å; L177-F224 HydrophobicContact CB-CG 4.02Å; L177-F224 HydrophobicContact CD1-CB 3.89Å; L177-F224 HydrophobicContact CD1-CD1 3.96Å; L177-F224 HydrophobicContact CD1-CG 3.89Å; L177-F224 HydrophobicContact CD2-CD1 4.34Å; L177-F224 HydrophobicContact CD2-CD2 4.18Å; L177-F224 HydrophobicContact CD2-CE1 4.36Å; L177-F224 HydrophobicContact CD2-CE2 4.2Å; L177-F224 HydrophobicContact CD2-CG 4.26Å; L177-F224 HydrophobicContact CD2-CZ 4.29Å; L177-F224 HydrophobicContact CG-CB 4.48Å; L177-F224 HydrophobicContact CG-CD2 4.44Å; L177-F224 HydrophobicContact CG-CG 4.28Å; D182-F224 WeakPolarHBondContact O-CZ 3.5Å; I184-F224 HydrophobicContact CB-CD1 4.4Å; I184-F224 HydrophobicContact CB-CE1 3.89Å; I184-F224 HydrophobicContact CD1-CD1 4.36Å; I184-F224 HydrophobicContact CG2-CE1 4.29Å; P215-F224 WeakPolarHBondContact CG-O 3.18Å; Y222-F224 HydrophobicContact CD1-CB 4.45Å; Y222-F224 HydrophobicContact CE1-CB 3.79Å; Y222-F224 WeakPolarHBondContact CE1-O 3.5Å; F224-K226 HydrophobicContact CD1-CB 3.92Å; F224-K226 HydrophobicContact CE1-CB 3.87Å; F224-K226 HydrophobicContact CE1-CG 4.29Å; F224-K226 PolarHBondContact O-N 3.47Å
225K97.5Very high96.8Very high117 Ų11746.9 Ų46.951%0.50924%0.24SC..SBendtrans-87.719.5-172.9-61-170.9176.3-143.30114.6I213 E214I213-K225 PolarHBondContact N-O 3.21Å; I213-K225 CarbonylContact O-C 3.49Å; I213-K225 WeakPolarHBondContact O-CA 3.47Å; I213-K225 WeakPolarHBondContact O-CB 3.37Å; E214-K225 WeakPolarHBondContact OE1-CE 3.28Å; E214-K225 IonicContact OE1-NZ 2.71Å; E214-K225 PolarHBondContact OE1-NZ 2.78Å; E214-K225 WeakPolarHBondContact OE2-CD 3.48Å; E214-K225 WeakPolarHBondContact OE2-CE 3.41Å; E214-K225 IonicContact OE2-NZ 3.92Å; E214-K225 PolarHBondContact OE2-NZ 3.12Å
226K98.1Very high96.8Very high75 Ų7548.8 Ų48.833%0.32625%0.249SC..EExtended strand (participates in β ladder)trans-141.5150.2176.6-63.7-168.9174.4-161.20110.3I184 M211 D212 Y222 F224I184-K226 WeakPolarHBondContact CD1-O 3.39Å; I184-K226 HydrophobicContact CG2-CB 4.43Å; M211-K226 CarbonylContact O-C 3.56Å; M211-K226 VanDerWaalsContact O-CA 3.22Å; M211-K226 WeakPolarHBondContact O-CA 3.44Å; D212-K226 VanDerWaalsContact OD1-CE 3.22Å; D212-K226 WeakPolarHBondContact OD1-CE 3.03Å; D212-K226 IonicContact OD1-NZ 3.92Å; Y222-K226 WeakPolarHBondContact CE1-O 3.44Å; Y222-K226 PolarHBondContact OH-O 3.33Å; F224-K226 HydrophobicContact CD1-CB 3.92Å; F224-K226 HydrophobicContact CE1-CB 3.87Å; F224-K226 HydrophobicContact CE1-CG 4.29Å; F224-K226 PolarHBondContact O-N 3.47Å
227M98.6Very high96.8Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-114.5155.3166.4-65.8-67.1-173.500110W44 Y48 L170 T210 M211 I213 Y222W44-M227 HydrophobicContact CH2-CE 3.32Å; W44-M227 HydrophobicContact CZ3-CE 3.49Å; W44-M227 VanDerWaalsContact CZ3-CE 3.49Å; Y48-M227 HydrophobicContact CD1-CG 4.3Å; Y48-M227 HydrophobicContact CD1-SD 4.19Å; Y48-M227 HydrophobicContact CD2-CB 3.35Å; Y48-M227 HydrophobicContact CD2-CG 3.81Å; Y48-M227 HydrophobicContact CE1-SD 4.39Å; Y48-M227 HydrophobicContact CE2-CB 3.68Å; Y48-M227 HydrophobicContact CE2-CG 4.36Å; Y48-M227 HydrophobicContact CG-CB 3.87Å; Y48-M227 HydrophobicContact CG-CG 3.76Å; Y48-M227 HydrophobicContact CG-SD 4.25Å; L170-M227 HydrophobicContact CD1-CE 4.25Å; L170-M227 HydrophobicContact CD2-CE 4Å; L170-M227 HydrophobicContact CD2-SD 3.65Å; T210-M227 VanDerWaalsContact CA-O 3.23Å; T210-M227 WeakPolarHBondContact CA-O 3.29Å; T210-M227 WeakPolarHBondContact CB-O 3.42Å; M211-M227 HydrophobicContact CG-CB 3.86Å; M211-M227 PolarHBondContact N-O 2.77Å; M211-M227 PolarHBondContact O-N 3.21Å; I213-M227 HydrophobicContact CB-CG 4.4Å; I213-M227 HydrophobicContact CD1-CG 4.36Å; I213-M227 HydrophobicContact CG2-CE 4.18Å; I213-M227 HydrophobicContact CG2-CG 3.66Å; Y222-M227 HydrophobicContact CD1-CE 3.62Å; Y222-M227 HydrophobicContact CD1-SD 4.31Å; Y222-M227 HydrophobicContact CD2-CE 4.38Å; Y222-M227 HydrophobicContact CE1-CE 3.48Å; Y222-M227 VanDerWaalsContact CE1-CE 3.48Å; Y222-M227 HydrophobicContact CE1-SD 3.59Å; Y222-M227 VanDerWaalsContact CE1-SD 3.59Å; Y222-M227 HydrophobicContact CE2-CE 4.29Å; Y222-M227 HydrophobicContact CE2-SD 4.05Å; Y222-M227 HydrophobicContact CG-CE 4.06Å; Y222-M227 PolarHBondContact OH-SD 3Å
228I98.8Very high97Very high0 Ų044.1 Ų44.10%021%0.214CC..EExtended strand (participates in β ladder)trans-123.1124175.9-167.5167.4000109.5Y48 W173 I184 E185 F188 T208 T209 T210Y48-I228 PolarHBondContact OH-O 3.09Å; Y48-I228 VanDerWaalsContact OH-O 3.07Å; W173-I228 HydrophobicContact CE3-CG2 4.05Å; W173-I228 HydrophobicContact CH2-CG2 4.31Å; W173-I228 HydrophobicContact CZ3-CG2 3.76Å; W173-I228 WeakPolarHBondContact CZ3-O 3.46Å; I184-I228 HydrophobicContact CD1-CB 3.7Å; I184-I228 HydrophobicContact CD1-CG2 3.69Å; I184-I228 HydrophobicContact CG1-CB 3.82Å; I184-I228 HydrophobicContact CG1-CD1 4.49Å; I184-I228 HydrophobicContact CG1-CG2 3.69Å; E185-I228 HydrophobicContact CG-CD1 4.38Å; F188-I228 HydrophobicContact CB-CD1 3.68Å; F188-I228 HydrophobicContact CD2-CD1 4.23Å; F188-I228 HydrophobicContact CD2-CG2 4.23Å; F188-I228 HydrophobicContact CG-CD1 3.96Å; T208-I228 HydrophobicContact CG2-CD1 3.77Å; T208-I228 HydrophobicContact CG2-CG1 3.96Å; T209-I228 CarbonylContact O-C 3.16Å; T209-I228 WeakPolarHBondContact O-CA 3.46Å; T210-I228 HydrophobicContact CG2-CB 4.2Å; T210-I228 HydrophobicContact CG2-CD1 4.33Å; T210-I228 HydrophobicContact CG2-CG1 3.99Å
229T98.9Very high97.2Very high1 Ų139.2 Ų39.21%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-105.1112.3178-65.40000108.6Y48 S51 L52 V55 T208 T209Y48-T229 WeakPolarHBondContact CE2-OG1 3.38Å; S51-T229 WeakPolarHBondContact CB-OG1 3.35Å; S51-T229 WeakPolarHBondContact OG-CB 3.33Å; S51-T229 PolarHBondContact OG-OG1 3.38Å; L52-T229 HydrophobicContact CD2-CG2 4.11Å; V55-T229 HydrophobicContact CG2-CG2 3.62Å; T208-T229 WeakPolarHBondContact CA-O 3.44Å; T209-T229 PolarHBondContact N-O 2.81Å; T209-T229 PolarHBondContact O-N 3.28Å
230P98.9Very high97.4Very high0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-82.4145.9177.336.3-36.8000111.4T166 Y167 F188 T208 I232T166-P230 VanDerWaalsContact CB-O 3.28Å; T166-P230 WeakPolarHBondContact CB-O 3.12Å; T166-P230 PolarHBondContact OG1-O 3.37Å; Y167-P230 HydrophobicContact CD1-CG 3.93Å; Y167-P230 HydrophobicContact CE1-CB 4.44Å; Y167-P230 HydrophobicContact CE1-CG 4Å; Y167-P230 WeakPolarHBondContact O-CD 3.49Å; Y167-P230 VanDerWaalsContact O-CG 3.26Å; Y167-P230 WeakPolarHBondContact O-CG 3.41Å; F188-P230 HydrophobicContact CE1-CB 4.41Å; F188-P230 HydrophobicContact CE2-CB 3.62Å; F188-P230 HydrophobicContact CE2-CG 4.02Å; F188-P230 HydrophobicContact CZ-CB 3.44Å; F188-P230 VanDerWaalsContact CZ-CB 3.44Å; F188-P230 HydrophobicContact CZ-CG 4.25Å; T208-P230 HydrophobicContact CG2-CB 4.34Å; P230-I232 HydrophobicContact CB-CD1 3.67Å; P230-I232 HydrophobicContact CG-CD1 4.22Å
231T98.9Very high97.7Very high27 Ų2734.8 Ų34.817%0.16617%0.173CC..EExtended strand (participates in β ladder)trans-128.8106.8174.3-63.10000107.8V55 V164 S207 V233V55-T231 HydrophobicContact CG1-CG2 4Å; V55-T231 WeakPolarHBondContact CG1-OG1 3.36Å; V55-T231 WeakPolarHBondContact CG2-OG1 3.19Å; V164-T231 HydrophobicContact CG2-CG2 3.82Å; S207-T231 PolarHBondContact N-O 2.9Å; S207-T231 PolarHBondContact O-N 3.21Å; S207-T231 PolarHBondContact OG-O 3.45Å; T231-V233 HydrophobicContact CG2-CG2 4.36Å
232I98.9Very high97.8Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-114.8111.8-177-58.588.7000108.5V164 L165 Y167 L196 F201 K205 I206 P230V164-I232 CarbonylContact C-O 3.57Å; V164-I232 WeakPolarHBondContact CA-O 3.39Å; L165-I232 HydrophobicContact CB-CB 4.16Å; L165-I232 HydrophobicContact CD2-CB 4.44Å; L165-I232 HydrophobicContact CD2-CD1 4.5Å; L165-I232 HydrophobicContact CG-CD1 4.41Å; L165-I232 PolarHBondContact N-O 2.95Å; L165-I232 WeakPolarHBondContact O-CD1 3.36Å; L165-I232 PolarHBondContact O-N 3.39Å; Y167-I232 HydrophobicContact CD1-CD1 4.18Å; Y167-I232 HydrophobicContact CE1-CD1 4Å; L196-I232 HydrophobicContact CD1-CD1 4.35Å; L196-I232 HydrophobicContact CD1-CG1 3.9Å; L196-I232 HydrophobicContact CD2-CG1 4.25Å; F201-I232 HydrophobicContact CB-CG2 3.8Å; F201-I232 HydrophobicContact CD1-CG2 3.23Å; F201-I232 HydrophobicContact CD2-CG2 3.71Å; F201-I232 HydrophobicContact CE1-CG2 3.57Å; F201-I232 HydrophobicContact CE2-CG2 4.03Å; F201-I232 HydrophobicContact CG-CG2 3.28Å; F201-I232 HydrophobicContact CZ-CG2 3.96Å; K205-I232 WeakPolarHBondContact O-CA 3.43Å; I206-I232 HydrophobicContact CG1-CG1 4.33Å; I206-I232 HydrophobicContact CG1-CG2 4.21Å; I206-I232 HydrophobicContact CG2-CG1 4.4Å; P230-I232 HydrophobicContact CB-CD1 3.67Å; P230-I232 HydrophobicContact CG-CD1 4.22Å
233V98.8Very high97.9Very high32 Ų3239.7 Ų39.719%0.19420%0.198CC..EExtended strand (participates in β ladder)trans-97130.6-178.6179.30000110.2G163 V164 K205 T231G163-V233 WeakPolarHBondContact O-CA 3.49Å; V164-V233 HydrophobicContact CG2-CG2 4.33Å; K205-V233 HydrophobicContact CB-CB 4.29Å; K205-V233 WeakPolarHBondContact CB-O 3.48Å; K205-V233 HydrophobicContact CD-CB 4.42Å; K205-V233 PolarHBondContact O-N 2.71Å; T231-V233 HydrophobicContact CG2-CG2 4.36Å
234K98.3Very high98Very high17 Ų1737.2 Ų37.27%0.07417%0.174CC..  trans-72.6132.1167.3178.1171.4174.2179.20109.3N126 H156 L159 G162 G163 F201N126-K234 PolarHBondContact OD1-NZ 2.97Å; H156-K234 VanDerWaalsContact O-CD 3.3Å; H156-K234 WeakPolarHBondContact O-CD 3.19Å; H156-K234 WeakPolarHBondContact O-CE 3.48Å; H156-K234 PolarHBondContact O-NZ 3.19Å; L159-K234 HydrophobicContact CB-CB 4.01Å; L159-K234 HydrophobicContact CB-CD 3.65Å; L159-K234 HydrophobicContact CB-CG 4.49Å; L159-K234 HydrophobicContact CD1-CB 4.07Å; L159-K234 VanDerWaalsContact O-CD 3.27Å; L159-K234 WeakPolarHBondContact O-CD 3.4Å; L159-K234 WeakPolarHBondContact O-CE 3.21Å; L159-K234 PolarHBondContact O-NZ 3.16Å; G162-K234 VanDerWaalsContact CA-O 3.24Å; G162-K234 WeakPolarHBondContact CA-O 3.29Å; G162-K234 PolarHBondContact N-O 3.23Å; G163-K234 PolarHBondContact O-N 2.9Å; F201-K234 HydrophobicContact CE1-CB 4.24Å
235E92.3Very high98Very high131 Ų13136.4 Ų36.461%0.61217%0.172SC*.  trans-740171.6-167.6-175.6-136.700111.9K202K202-E235 WeakPolarHBondContact CD-OE2 3.39Å; K202-E235 WeakPolarHBondContact CE-OE2 3.05Å; K202-E235 IonicContact NZ-OE1 3.92Å; K202-E235 PolarHBondContact NZ-OE1 3.39Å; K202-E235 IonicContact NZ-OE2 3.97Å; K202-E235 PolarHBondContact NZ-OE2 3.17Å

Retrieved 235 of 235 residues in 2190.8 ms (Link to these results)

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