A0A077ZK23_TRITR Loading...

Proteasome regulatory non-ATP-ase subunit 5

AlphaFold DB (P77627), UniProt , Accession A0A077ZK23, Species TRITR (Trichuris trichiura, Whipworm), 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
1M88.9Confident94.3Very high68 Ų6844.4 Ų44.434%0.33522%0.217SC..  0134.50-176.4174.7-71.500107.7Q6 L9 L141 L219M1-Q6 HydrophobicContact CB-CG 4.44Å; M1-Q6 HydrophobicContact CG-CG 4.08Å; M1-Q6 HydrophobicContact SD-CG 4.1Å; M1-L9 HydrophobicContact CE-CD1 3.68Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.44Å; M1-L9 HydrophobicContact SD-CG 4.35Å; M1-L141 HydrophobicContact SD-CB 4.42Å; M1-L141 HydrophobicContact SD-CD1 4.39Å; M1-L141 HydrophobicContact SD-CD2 4.14Å; M1-L219 HydrophobicContact CE-CD1 4.1Å; M1-L219 HydrophobicContact SD-CD1 4.42Å
2D92.2Very high94.5Very high78 Ų7840.7 Ų40.742%0.41720%0.198SC..  trans-74.9163.5179.767.892.9000112.1E4 S5 Q6D2-E4 VanDerWaalsContact C-N 3.34Å; D2-E4 PolarHBondContact O-N 3.39Å; D2-E4 WeakPolarHBondContact OD1-CB 3.32Å; D2-E4 PolarHBondContact OD1-N 3.06Å; D2-S5 PolarHBondContact O-N 3.07Å; D2-S5 PolarHBondContact OD1-N 2.87Å; D2-S5 PolarHBondContact OD1-OG 2.74Å; D2-S5 VanDerWaalsContact OD2-CB 3.27Å; D2-S5 WeakPolarHBondContact OD2-CB 3.44Å; D2-S5 PolarHBondContact OD2-OG 2.78Å; D2-Q6 WeakPolarHBondContact O-CG 3.35Å; D2-Q6 PolarHBondContact O-N 2.81Å
3M90.7Very high94.7Very high123 Ų12337.5 Ų37.561%0.60618%0.183SC*.Hα-helixtrans-64.2-34.2-174.6-174.417562.100113.3Q6 K7M3-Q6 PolarHBondContact O-N 3.35Å; M3-K7 WeakPolarHBondContact O-CG 3.45Å; M3-K7 PolarHBondContact O-N 3.16Å
4E91.6Very high94.6Very high99 Ų9934.9 Ų34.946%0.46317%0.17SC..Hα-helixtrans-70.5-40.8178.6-65.9-55.1127.400110.8D2 Q6 K7 I8D2-E4 VanDerWaalsContact C-N 3.34Å; D2-E4 PolarHBondContact O-N 3.39Å; D2-E4 WeakPolarHBondContact OD1-CB 3.32Å; D2-E4 PolarHBondContact OD1-N 3.06Å; E4-Q6 VanDerWaalsContact C-N 3.34Å; E4-Q6 PolarHBondContact O-N 3.47Å; E4-K7 PolarHBondContact O-N 3.11Å; E4-K7 IonicContact OE1-NZ 2.74Å; E4-K7 PolarHBondContact OE1-NZ 3.22Å; E4-K7 IonicContact OE2-NZ 3.84Å; E4-I8 WeakPolarHBondContact O-CG1 3.12Å; E4-I8 PolarHBondContact O-N 3.13Å; E4-I8 VanDerWaalsContact O-N 3.14Å
5S95.4Very high94.5Very high6 Ų632.5 Ų32.54%0.04216%0.159CC..Hα-helixtrans-60.2-42.5171.4-67.50000112.2D2 I8 L9D2-S5 PolarHBondContact O-N 3.07Å; D2-S5 PolarHBondContact OD1-N 2.87Å; D2-S5 PolarHBondContact OD1-OG 2.74Å; D2-S5 VanDerWaalsContact OD2-CB 3.27Å; D2-S5 WeakPolarHBondContact OD2-CB 3.44Å; D2-S5 PolarHBondContact OD2-OG 2.78Å; S5-I8 PolarHBondContact O-N 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.37Å; S5-L9 PolarHBondContact O-N 3.3Å; S5-L9 VanDerWaalsContact O-N 3.12Å
6Q95.7Very high94.4Very high41 Ų4130.8 Ų30.819%0.19215%0.15CC..Hα-helixtrans-62.2-43.3176.8-69.7-173.94.900112.3M1 D2 M3 E4 I8 L9 F10 E137 L141M1-Q6 HydrophobicContact CB-CG 4.44Å; M1-Q6 HydrophobicContact CG-CG 4.08Å; M1-Q6 HydrophobicContact SD-CG 4.1Å; D2-Q6 WeakPolarHBondContact O-CG 3.35Å; D2-Q6 PolarHBondContact O-N 2.81Å; M3-Q6 PolarHBondContact O-N 3.35Å; E4-Q6 VanDerWaalsContact C-N 3.34Å; E4-Q6 PolarHBondContact O-N 3.47Å; Q6-I8 VanDerWaalsContact C-N 3.32Å; Q6-I8 PolarHBondContact O-N 3.42Å; Q6-L9 PolarHBondContact O-N 3.16Å; Q6-L9 VanDerWaalsContact O-N 3.13Å; Q6-F10 HydrophobicContact CB-CE2 4.09Å; Q6-F10 HydrophobicContact CB-CZ 4.34Å; Q6-F10 WeakPolarHBondContact O-CD2 3.22Å; Q6-F10 WeakPolarHBondContact O-CG 3.47Å; Q6-F10 PolarHBondContact O-N 3.43Å; Q6-E137 PolarHBondContact NE2-OE1 2.63Å; Q6-L141 HydrophobicContact CB-CD2 4.36Å; Q6-L141 HydrophobicContact CG-CD1 4.03Å; Q6-L141 HydrophobicContact CG-CD2 3.95Å
7K94.9Very high94Very high59 Ų5929 Ų2926%0.25714%0.142SC..Hα-helixtrans-57.9-44.3176.4-73.3171.8-176.91720111.9M3 E4 L9 F10 A11M3-K7 WeakPolarHBondContact O-CG 3.45Å; M3-K7 PolarHBondContact O-N 3.16Å; E4-K7 PolarHBondContact O-N 3.11Å; E4-K7 IonicContact OE1-NZ 2.74Å; E4-K7 PolarHBondContact OE1-NZ 3.22Å; E4-K7 IonicContact OE2-NZ 3.84Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.39Å; K7-F10 PolarHBondContact O-N 2.74Å; K7-A11 VanDerWaalsContact O-CB 3.28Å; K7-A11 WeakPolarHBondContact O-CB 3.43Å; K7-A11 PolarHBondContact O-N 3.47Å
8I96.9Very high93.2Very high13 Ų1328.1 Ų28.17%0.06714%0.137CC..Hα-helixtrans-60.1-42.2176.3-69.3170.6000110.8E4 S5 Q6 A11 W158 Q217 L219E4-I8 WeakPolarHBondContact O-CG1 3.12Å; E4-I8 PolarHBondContact O-N 3.13Å; E4-I8 VanDerWaalsContact O-N 3.14Å; S5-I8 PolarHBondContact O-N 3.28Å; Q6-I8 VanDerWaalsContact C-N 3.32Å; Q6-I8 PolarHBondContact O-N 3.42Å; I8-A11 WeakPolarHBondContact O-CB 3.47Å; I8-A11 PolarHBondContact O-N 3.04Å; I8-W158 HydrophobicContact CG2-CZ2 4.34Å; I8-Q217 HydrophobicContact CD1-CG 4.47Å; I8-L219 HydrophobicContact CB-CD2 4.1Å; I8-L219 HydrophobicContact CD1-CD2 4.12Å; I8-L219 HydrophobicContact CG2-CD2 3.95Å
9L97.7Very high92.3Very high0 Ų031.4 Ų31.40%015%0.148CC..Hα-helixtrans-67.1-46.6178.9-67-169.2000112.3M1 S5 Q6 K7 A11 L12 L141 Q144 H148 L219M1-L9 HydrophobicContact CE-CD1 3.68Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.44Å; M1-L9 HydrophobicContact SD-CG 4.35Å; S5-L9 WeakPolarHBondContact O-CG 3.37Å; S5-L9 PolarHBondContact O-N 3.3Å; S5-L9 VanDerWaalsContact O-N 3.12Å; Q6-L9 PolarHBondContact O-N 3.16Å; Q6-L9 VanDerWaalsContact O-N 3.13Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.39Å; L9-A11 VanDerWaalsContact C-N 3.25Å; L9-A11 PolarHBondContact O-N 2.87Å; L9-L12 HydrophobicContact CD2-CD1 4.33Å; L9-L12 WeakPolarHBondContact O-CB 3.33Å; L9-L12 WeakPolarHBondContact O-CG 3.29Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-L141 HydrophobicContact CD1-CD2 4.09Å; L9-L141 WeakPolarHBondContact CD1-O 3.38Å; L9-Q144 HydrophobicContact CB-CB 4.04Å; L9-Q144 HydrophobicContact CD1-CB 4.3Å; L9-Q144 PolarHBondContact O-OE1 2.71Å; L9-Q144 VanDerWaalsContact O-OE1 3.11Å; L9-H148 HydrophobicContact CD2-CB 3.56Å; L9-L219 HydrophobicContact CD1-CD1 4.1Å; L9-L219 HydrophobicContact CD2-CD1 3.88Å; L9-L219 HydrophobicContact CG-CD1 4.02Å
10F96.8Very high91.6Very high1 Ų131.9 Ų31.90%0.00415%0.152CC..Hα-helixtrans-62.8-35178.4-60.9-25.6000112.1Q6 K7 L12 S13 T14 H27 S28 P30 L141Q6-F10 HydrophobicContact CB-CE2 4.09Å; Q6-F10 HydrophobicContact CB-CZ 4.34Å; Q6-F10 WeakPolarHBondContact O-CD2 3.22Å; Q6-F10 WeakPolarHBondContact O-CG 3.47Å; Q6-F10 PolarHBondContact O-N 3.43Å; K7-F10 PolarHBondContact O-N 2.74Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-L12 VanDerWaalsContact O-N 3.14Å; F10-S13 PolarHBondContact O-N 3.14Å; F10-S13 PolarHBondContact O-OG 3.16Å; F10-T14 PolarHBondContact O-OG1 3.13Å; F10-H27 WeakPolarHBondContact CB-O 3.36Å; F10-S28 WeakPolarHBondContact CE2-O 3.46Å; F10-P30 HydrophobicContact CE1-CB 4.28Å; F10-P30 HydrophobicContact CZ-CB 3.85Å; F10-L141 HydrophobicContact CD1-CD2 4.42Å; F10-L141 HydrophobicContact CE1-CD2 3.53Å; F10-L141 HydrophobicContact CZ-CD2 3.81Å
11A96.5Very high90.4Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-57.3-26.1177.400000114.2K7 I8 L9 S13 T14 W158 Y210 Y211 L214K7-A11 VanDerWaalsContact O-CB 3.28Å; K7-A11 WeakPolarHBondContact O-CB 3.43Å; K7-A11 PolarHBondContact O-N 3.47Å; I8-A11 WeakPolarHBondContact O-CB 3.47Å; I8-A11 PolarHBondContact O-N 3.04Å; L9-A11 VanDerWaalsContact C-N 3.25Å; L9-A11 PolarHBondContact O-N 2.87Å; A11-S13 PolarHBondContact O-N 3.32Å; A11-T14 WeakPolarHBondContact CA-OG1 3.48Å; A11-T14 PolarHBondContact O-N 2.91Å; A11-W158 HydrophobicContact CB-CH2 3.65Å; A11-W158 HydrophobicContact CB-CZ2 3.97Å; A11-W158 HydrophobicContact CB-CZ3 4.21Å; A11-Y210 HydrophobicContact CB-CE1 3.87Å; A11-Y211 HydrophobicContact CB-CE1 4.12Å; A11-Y211 WeakPolarHBondContact O-CE1 3.35Å; A11-Y211 PolarHBondContact O-OH 2.91Å; A11-L214 HydrophobicContact CB-CD1 3.34Å
12L97.1Very high89.9Confident0 Ų042.1 Ų42.10%021%0.212CC..THydrogen-bonded Turntrans-60.6-29.1174.8-63.8169000112.5L9 F10 V120 I147 H148 A151 W158 Y161L9-L12 HydrophobicContact CD2-CD1 4.33Å; L9-L12 WeakPolarHBondContact O-CB 3.33Å; L9-L12 WeakPolarHBondContact O-CG 3.29Å; L9-L12 PolarHBondContact O-N 3.17Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-L12 VanDerWaalsContact O-N 3.14Å; L12-V120 WeakPolarHBondContact O-CA 3.46Å; L12-V120 WeakPolarHBondContact O-CG2 3.5Å; L12-I147 HydrophobicContact CD1-CB 4.47Å; L12-I147 HydrophobicContact CD1-CG2 4.24Å; L12-H148 HydrophobicContact CD1-CB 3.78Å; L12-A151 HydrophobicContact CD2-CB 4.23Å; L12-W158 HydrophobicContact CD2-CH2 3.93Å; L12-W158 HydrophobicContact CD2-CZ3 3.98Å; L12-W158 HydrophobicContact CG-CH2 4.32Å; L12-Y161 HydrophobicContact CD2-CE1 4.27Å; L12-Y161 HydrophobicContact CD2-CE2 4.22Å; L12-Y161 PolarHBondContact O-OH 3.02Å
13S96.4Very high89.6Confident0 Ų039.7 Ų39.70%020%0.201CC..THydrogen-bonded Turntrans-105.5-2.8-175.163.60000114.2F10 A11 P15 M16 M32 G123 R127F10-S13 PolarHBondContact O-N 3.14Å; F10-S13 PolarHBondContact O-OG 3.16Å; A11-S13 PolarHBondContact O-N 3.32Å; S13-P15 VanDerWaalsContact C-N 3.35Å; S13-M16 PolarHBondContact O-N 3.41Å; S13-M32 WeakPolarHBondContact OG-CE 3.24Å; S13-G123 VanDerWaalsContact CB-C 3.49Å; S13-R127 WeakPolarHBondContact OG-CD 3.3Å; S13-R127 PolarHBondContact OG-NH1 2.71Å
14T94Very high89.6Confident0 Ų039 Ų390%020%0.2CC..THydrogen-bonded Turntrans-58.8-28.9-173.7-55.70000115.8F10 A11 M16 E17 H27 L203 Y210F10-T14 PolarHBondContact O-OG1 3.13Å; A11-T14 WeakPolarHBondContact CA-OG1 3.48Å; A11-T14 PolarHBondContact O-N 2.91Å; T14-M16 PolarHBondContact O-N 3.41Å; T14-E17 WeakPolarHBondContact CA-OE1 3.46Å; T14-E17 WeakPolarHBondContact CB-OE1 3.19Å; T14-E17 HydrophobicContact CG2-CB 4.33Å; T14-E17 HydrophobicContact CG2-CG 4.41Å; T14-E17 VanDerWaalsContact O-CB 3.24Å; T14-E17 WeakPolarHBondContact O-CB 3.27Å; T14-E17 PolarHBondContact O-N 3.41Å; T14-E17 PolarHBondContact OG1-OE1 2.87Å; T14-H27 VanDerWaalsContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-ND1 3.42Å; T14-L203 HydrophobicContact CG2-CD2 3.55Å; T14-Y210 HydrophobicContact CG2-CD1 4Å; T14-Y210 HydrophobicContact CG2-CE1 4.33Å
15P93.3Very high89.6Confident0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-58.6-27.3173.6-2435.6000112.5S13 V120 F162 Y165 M199 L203 Y211S13-P15 VanDerWaalsContact C-N 3.35Å; P15-V120 HydrophobicContact CB-CG1 4.11Å; P15-V120 HydrophobicContact CG-CG1 4.17Å; P15-V120 HydrophobicContact CG-CG2 4.12Å; P15-F162 HydrophobicContact CB-CE2 4.28Å; P15-F162 HydrophobicContact CG-CD2 4.04Å; P15-F162 HydrophobicContact CG-CE2 4.17Å; P15-Y165 HydrophobicContact CB-CD1 3.75Å; P15-Y165 HydrophobicContact CB-CD2 4.36Å; P15-Y165 HydrophobicContact CB-CE1 3.43Å; P15-Y165 VanDerWaalsContact CB-CE1 3.43Å; P15-Y165 HydrophobicContact CB-CE2 4.07Å; P15-Y165 HydrophobicContact CB-CG 4.21Å; P15-Y165 HydrophobicContact CG-CD1 4.17Å; P15-Y165 HydrophobicContact CG-CE1 4.35Å; P15-Y165 HydrophobicContact CG-CG 4.35Å; P15-M199 HydrophobicContact CB-SD 3.89Å; P15-M199 WeakPolarHBondContact O-CE 3.44Å; P15-L203 HydrophobicContact CB-CD1 4.37Å; P15-L203 HydrophobicContact CG-CD1 4.08Å; P15-Y211 VanDerWaalsContact CD-OH 3.27Å; P15-Y211 WeakPolarHBondContact CD-OH 3.26Å; P15-Y211 WeakPolarHBondContact CG-OH 3.27Å
16M92.3Very high89.4Confident4 Ų437.1 Ų37.12%0.0220%0.196CC..Hα-helixtrans-86.1-12.5174.7-74.4-170.571.600114.8S13 T14 I18 Y33 W45 V120 R121 F124S13-M16 PolarHBondContact O-N 3.41Å; T14-M16 PolarHBondContact O-N 3.41Å; M16-I18 VanDerWaalsContact C-N 3.29Å; M16-Y33 PolarHBondContact O-OH 2.97Å; M16-W45 HydrophobicContact CE-CH2 4.45Å; M16-W45 HydrophobicContact CE-CZ2 3.86Å; M16-V120 HydrophobicContact CB-CG1 4.37Å; M16-V120 HydrophobicContact CG-CG1 3.73Å; M16-V120 HydrophobicContact SD-CG1 4.16Å; M16-R121 HydrophobicContact SD-CB 4.2Å; M16-R121 HydrophobicContact SD-CG 3.63Å; M16-F124 HydrophobicContact CB-CB 4Å; M16-F124 HydrophobicContact CB-CD2 3.79Å; M16-F124 HydrophobicContact CB-CG 4.11Å; M16-F124 HydrophobicContact CE-CB 3.86Å; M16-F124 HydrophobicContact CE-CD1 3.34Å; M16-F124 HydrophobicContact CE-CD2 3.63Å; M16-F124 HydrophobicContact CE-CE1 3.71Å; M16-F124 HydrophobicContact CE-CE2 3.98Å; M16-F124 HydrophobicContact CE-CG 3.3Å; M16-F124 HydrophobicContact CE-CZ 4.02Å; M16-F124 HydrophobicContact CG-CB 4.34Å; M16-F124 HydrophobicContact SD-CB 3.46Å; M16-F124 WeakPolarHBondContact SD-CB 3.43Å; M16-F124 HydrophobicContact SD-CD1 4.07Å; M16-F124 HydrophobicContact SD-CD2 4.23Å; M16-F124 HydrophobicContact SD-CG 3.66Å
17E88.3Confident89.2Confident1 Ų138 Ų381%0.00520%0.2CC..Hα-helixtrans-61.2-43.8169.3-75.2173.2-136.900110.6T14 R19 P25 H27 M32 R127T14-E17 WeakPolarHBondContact CA-OE1 3.46Å; T14-E17 WeakPolarHBondContact CB-OE1 3.19Å; T14-E17 HydrophobicContact CG2-CB 4.33Å; T14-E17 HydrophobicContact CG2-CG 4.41Å; T14-E17 VanDerWaalsContact O-CB 3.24Å; T14-E17 WeakPolarHBondContact O-CB 3.27Å; T14-E17 PolarHBondContact O-N 3.41Å; T14-E17 PolarHBondContact OG1-OE1 2.87Å; E17-R19 PolarHBondContact O-N 3.34Å; E17-P25 HydrophobicContact CB-CB 3.79Å; E17-P25 HydrophobicContact CG-CB 4.43Å; E17-H27 IonicContact OE1-ND1 2.69Å; E17-H27 WeakPolarHBondContact OE2-CA 3.45Å; E17-H27 IonicContact OE2-CE1 3.47Å; E17-H27 PolarHBondContact OE2-CE1 2.9Å; E17-H27 IonicContact OE2-CG 2.78Å; E17-H27 PolarHBondContact OE2-N 3.14Å; E17-H27 IonicContact OE2-ND1 2.87Å; E17-H27 PolarHBondContact OE2-ND1 3.34Å; E17-M32 HydrophobicContact CB-CG 4.38Å; E17-M32 HydrophobicContact CG-CE 3.93Å; E17-M32 HydrophobicContact CG-CG 3.36Å; E17-M32 HydrophobicContact CG-SD 3.75Å; E17-R127 IonicContact OE1-CZ 3.19Å; E17-R127 IonicContact OE1-NH1 2.78Å; E17-R127 PolarHBondContact OE1-NH1 2.83Å; E17-R127 IonicContact OE1-NH2 2.73Å; E17-R127 PolarHBondContact OE1-NH2 3.2Å
18I79.1Confident89Confident12 Ų1239 Ų396%0.06221%0.214CC..Hα-helixtrans-74.2-27.3-173.2-59.8172.3000111.8M16 N20 D198 M199 Q202 L203M16-I18 VanDerWaalsContact C-N 3.29Å; I18-N20 VanDerWaalsContact C-N 3.34Å; I18-N20 PolarHBondContact O-N 2.93Å; I18-D198 HydrophobicContact CG2-CB 4.37Å; I18-D198 WeakPolarHBondContact CG2-OD2 3.38Å; I18-M199 HydrophobicContact CB-CG 3.94Å; I18-M199 HydrophobicContact CD1-CB 4.35Å; I18-M199 HydrophobicContact CD1-CG 4.12Å; I18-M199 HydrophobicContact CG2-CG 3.94Å; I18-Q202 HydrophobicContact CD1-CB 3.84Å; I18-Q202 HydrophobicContact CD1-CG 4.48Å; I18-L203 HydrophobicContact CD1-CD1 3.98Å; I18-L203 HydrophobicContact CD1-CD2 3.97Å; I18-L203 HydrophobicContact CD1-CG 3.75Å
19R75.5Confident88.9Confident92 Ų9239.2 Ų39.235%0.34722%0.217SC..Hα-helixtrans-67.8-28.5-174.1-168.7-176.8177.2-155.3-0.8114.2E17 E21 M199E17-R19 PolarHBondContact O-N 3.34Å; R19-E21 PolarHBondContact O-N 3.46Å; R19-M199 HydrophobicContact CB-CE 4.08Å; R19-M199 HydrophobicContact CG-CE 4.46Å
20N78.6Confident88.8Confident41 Ų4140.5 Ų40.522%0.21923%0.225CC..  trans-98.378.5-172.8-70.1-56.9000110.7I18 C22 C23 Y33 F39I18-N20 VanDerWaalsContact C-N 3.34Å; I18-N20 PolarHBondContact O-N 2.93Å; N20-C22 PolarHBondContact O-N 3.02Å; N20-C23 HydrophobicContact CB-CB 4.4Å; N20-C23 WeakPolarHBondContact O-CB 3.21Å; N20-C23 PolarHBondContact O-N 3.12Å; N20-Y33 HydrophobicContact CB-CE1 4.36Å; N20-Y33 PolarHBondContact ND2-OH 3.31Å; N20-F39 HydrophobicContact CB-CE2 4.41Å
21E67Low88.8Confident176 Ų17644 Ų4482%0.82224%0.24SC*.THydrogen-bonded Turntrans-54.7-27.8-172.6-64.7175.9-167.300114.8R19 C23R19-E21 PolarHBondContact O-N 3.46Å; E21-C23 PolarHBondContact O-N 3.38Å
22C77.9Confident88.7Confident139 Ų13944 Ų4494%0.93924%0.24SC*.THydrogen-bonded Turntrans-76.8-4.9177.6-62.10000113.9N20N20-C22 PolarHBondContact O-N 3.02Å
23C85.5Confident88.6Confident27 Ų2744.2 Ų44.218%0.18224%0.241CC..SBendtrans-113.1148.7-178.2-64.90000110.8N20 E21 P25 Y33N20-C23 HydrophobicContact CB-CB 4.4Å; N20-C23 WeakPolarHBondContact O-CB 3.21Å; N20-C23 PolarHBondContact O-N 3.12Å; E21-C23 PolarHBondContact O-N 3.38Å; C23-P25 WeakPolarHBondContact O-CD 3.33Å; C23-Y33 HydrophobicContact CB-CD1 3.33Å; C23-Y33 HydrophobicContact CB-CD2 4.14Å; C23-Y33 HydrophobicContact CB-CE1 3.73Å; C23-Y33 HydrophobicContact CB-CE2 4.45Å; C23-Y33 HydrophobicContact CB-CG 3.58Å
24L90.3Very high88.4Confident109 Ų10948.2 Ų48.257%0.57126%0.262SS*.EExtended strand (participates in β ladder)trans-89.4105.5173.7-179.160.6000109.7Y33 L34L24-Y33 CarbonylContact O-C 3.58Å; L24-Y33 VanDerWaalsContact O-CA 3.32Å; L24-Y33 WeakPolarHBondContact O-CA 3.48Å; L24-L34 HydrophobicContact CB-CB 4.42Å; L24-L34 HydrophobicContact CD2-CB 4.1Å; L24-L34 HydrophobicContact CD2-CD1 4.23Å; L24-L34 HydrophobicContact CG-CB 4.3Å; L24-L34 HydrophobicContact CG-CD1 4.47Å; L24-L34 PolarHBondContact O-N 3.32Å
25P91.6Very high88.3Confident48 Ų4852.2 Ų52.231%0.31230%0.303SS..EExtended strand (participates in β ladder)trans-69.4154.5-177.329.2-36.5000113E17 C23 M32 Y33E17-P25 HydrophobicContact CB-CB 3.79Å; E17-P25 HydrophobicContact CG-CB 4.43Å; C23-P25 WeakPolarHBondContact O-CD 3.33Å; P25-M32 CarbonylContact C-O 3.45Å; P25-Y33 HydrophobicContact CB-CE1 4.49Å
26S92.3Very high88.2Confident17 Ų1753.9 Ų53.912%0.11931%0.314CS..  trans-145.7115.2172173.60000111S28 S29 M32 R127S26-S28 PolarHBondContact O-N 3.06Å; S26-S28 VanDerWaalsContact O-N 3.17Å; S26-S28 PolarHBondContact OG-OG 3.35Å; S26-S29 PolarHBondContact O-N 2.88Å; S26-S29 WeakPolarHBondContact OG-CB 3.42Å; S26-S29 PolarHBondContact OG-N 3.35Å; S26-M32 PolarHBondContact N-O 3.2Å; S26-R127 PolarHBondContact O-NH2 2.65Å
27H91.3Very high88Confident60 Ų6059 Ų5928%0.27835%0.348SS..THydrogen-bonded Turntrans-61.3-23177.6-60.3-29.2000113.8F10 T14 E17 Y210F10-H27 WeakPolarHBondContact CB-O 3.36Å; T14-H27 VanDerWaalsContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-ND1 3.42Å; E17-H27 IonicContact OE1-ND1 2.69Å; E17-H27 WeakPolarHBondContact OE2-CA 3.45Å; E17-H27 IonicContact OE2-CE1 3.47Å; E17-H27 PolarHBondContact OE2-CE1 2.9Å; E17-H27 IonicContact OE2-CG 2.78Å; E17-H27 PolarHBondContact OE2-N 3.14Å; E17-H27 IonicContact OE2-ND1 2.87Å; E17-H27 PolarHBondContact OE2-ND1 3.34Å; H27-Y210 HydrophobicContact CB-CD2 4.43Å; H27-Y210 HydrophobicContact CB-CE1 3.93Å; H27-Y210 HydrophobicContact CB-CE2 3.83Å; H27-Y210 AromaticContact CD2-CD1 3.98Å; H27-Y210 AromaticContact CD2-CD2 3.54Å; H27-Y210 AromaticContact CD2-CE2 3.84Å; H27-Y210 AromaticContact CD2-CG 3.63Å; H27-Y210 AromaticContact CG-CD1 3.97Å; H27-Y210 AromaticContact CG-CE1 3.85Å; H27-Y210 AromaticContact CG-CE2 3.97Å; H27-Y210 AromaticContact CG-CZ 3.85Å; H27-Y210 AromaticContact NE2-CG 3.83Å
28S91.3Very high88.3Confident79 Ų7964.5 Ų64.555%0.55237%0.373SS*.THydrogen-bonded Turntrans-104.5-2.8-17661.90000114F10 S26F10-S28 WeakPolarHBondContact CE2-O 3.46Å; S26-S28 PolarHBondContact O-N 3.06Å; S26-S28 VanDerWaalsContact O-N 3.17Å; S26-S28 PolarHBondContact OG-OG 3.35Å
29S94.2Very high89Confident18 Ų1865.4 Ų65.413%0.12638%0.376CS..  trans-91.3130.5-176.5177.50000111.5S26 K31 M32 R127S26-S29 PolarHBondContact O-N 2.88Å; S26-S29 WeakPolarHBondContact OG-CB 3.42Å; S26-S29 PolarHBondContact OG-N 3.35Å; S29-K31 PolarHBondContact O-N 2.8Å; S29-K31 VanDerWaalsContact O-N 3.13Å; S29-K31 PolarHBondContact OG-N 2.86Å; S29-K31 VanDerWaalsContact OG-N 3.16Å; S29-M32 PolarHBondContact O-N 3.39Å; S29-M32 VanDerWaalsContact O-N 3.11Å; S29-R127 PolarHBondContact O-NE 3.5Å; S29-R127 PolarHBondContact O-NH2 2.81Å
30P95.7Very high89.8Confident26 Ų2664.7 Ų64.717%0.16938%0.379CS..THydrogen-bonded Turntrans-63-20.1171.828-35.6000112.5F10 R127 V130 E137F10-P30 HydrophobicContact CE1-CB 4.28Å; F10-P30 HydrophobicContact CZ-CB 3.85Å; P30-R127 WeakPolarHBondContact O-CA 3.44Å; P30-R127 WeakPolarHBondContact O-CB 3.36Å; P30-R127 WeakPolarHBondContact O-CG 3.36Å; P30-V130 HydrophobicContact CB-CG1 4.31Å; P30-E137 HydrophobicContact CB-CG 3.88Å; P30-E137 HydrophobicContact CG-CG 4.32Å
31K96.3Very high90.6Very high74 Ų7462.8 Ų62.832%0.32237%0.369SS..THydrogen-bonded Turntrans-92.3-1.8178.8-64.3-172172.2-165.30114.3S29 Y33 V130 L131S29-K31 PolarHBondContact O-N 2.8Å; S29-K31 VanDerWaalsContact O-N 3.13Å; S29-K31 PolarHBondContact OG-N 2.86Å; S29-K31 VanDerWaalsContact OG-N 3.16Å; K31-Y33 PolarHBondContact O-N 3.39Å; K31-V130 HydrophobicContact CG-CB 4.39Å; K31-V130 HydrophobicContact CG-CG1 3.89Å; K31-L131 HydrophobicContact CB-CB 4.07Å; K31-L131 HydrophobicContact CB-CD1 4.04Å; K31-L131 HydrophobicContact CD-CD1 4.17Å; K31-L131 HydrophobicContact CG-CB 4.37Å
32M94.8Very high92Very high0 Ų056.6 Ų56.60%035%0.345CS..SBendtrans66-43.1-177.1-164.4179.1-86.400116.4S13 E17 P25 S26 S29 F124 R127 M128S13-M32 WeakPolarHBondContact OG-CE 3.24Å; E17-M32 HydrophobicContact CB-CG 4.38Å; E17-M32 HydrophobicContact CG-CE 3.93Å; E17-M32 HydrophobicContact CG-CG 3.36Å; E17-M32 HydrophobicContact CG-SD 3.75Å; P25-M32 CarbonylContact C-O 3.45Å; S26-M32 PolarHBondContact N-O 3.2Å; S29-M32 PolarHBondContact O-N 3.39Å; S29-M32 VanDerWaalsContact O-N 3.11Å; M32-F124 HydrophobicContact CE-CB 4.18Å; M32-F124 HydrophobicContact CE-CD2 3.82Å; M32-F124 HydrophobicContact CE-CG 4.47Å; M32-F124 HydrophobicContact SD-CD2 3.6Å; M32-F124 VanDerWaalsContact SD-CD2 3.6Å; M32-F124 HydrophobicContact SD-CE2 4.05Å; M32-R127 VanDerWaalsContact CA-NH2 3.35Å; M32-R127 HydrophobicContact CB-CB 4.13Å; M32-R127 HydrophobicContact CE-CB 4.39Å; M32-R127 VanDerWaalsContact CE-NH1 3.29Å; M32-M128 HydrophobicContact CB-CE 3.49Å; M32-M128 VanDerWaalsContact CB-CE 3.49Å; M32-M128 HydrophobicContact CG-CE 4.19Å; M32-M128 HydrophobicContact SD-CE 3.86Å
33Y95.1Very high92.5Very high5 Ų554.4 Ų54.42%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-115.9136-175.4-57-57.1000111.8M16 N20 C23 L24 P25 K31 F39 F124 M128 L131M16-Y33 PolarHBondContact O-OH 2.97Å; N20-Y33 HydrophobicContact CB-CE1 4.36Å; N20-Y33 PolarHBondContact ND2-OH 3.31Å; C23-Y33 HydrophobicContact CB-CD1 3.33Å; C23-Y33 HydrophobicContact CB-CD2 4.14Å; C23-Y33 HydrophobicContact CB-CE1 3.73Å; C23-Y33 HydrophobicContact CB-CE2 4.45Å; C23-Y33 HydrophobicContact CB-CG 3.58Å; L24-Y33 CarbonylContact O-C 3.58Å; L24-Y33 VanDerWaalsContact O-CA 3.32Å; L24-Y33 WeakPolarHBondContact O-CA 3.48Å; P25-Y33 HydrophobicContact CB-CE1 4.49Å; K31-Y33 PolarHBondContact O-N 3.39Å; Y33-F39 HydrophobicContact CD2-CD2 4.07Å; Y33-F39 HydrophobicContact CD2-CE2 4.37Å; Y33-F39 AromaticContact CE2-CD2 3.89Å; Y33-F39 HydrophobicContact CE2-CD2 3.89Å; Y33-F39 AromaticContact CE2-CE2 3.79Å; Y33-F39 HydrophobicContact CE2-CE2 3.79Å; Y33-F124 HydrophobicContact CE2-CE2 4.33Å; Y33-M128 HydrophobicContact CD2-CE 3.71Å; Y33-M128 HydrophobicContact CD2-SD 4.14Å; Y33-M128 HydrophobicContact CE2-CE 3.55Å; Y33-M128 HydrophobicContact CE2-SD 3.85Å; Y33-L131 HydrophobicContact CD2-CD2 4.12Å
34L92.4Very high92.7Very high84 Ų8457.8 Ų57.844%0.4436%0.355SS..EExtended strand (participates in β ladder)trans-88140.6175.4-59.6178.5000110.2L24 T36L24-L34 HydrophobicContact CB-CB 4.42Å; L24-L34 HydrophobicContact CD2-CB 4.1Å; L24-L34 HydrophobicContact CD2-CD1 4.23Å; L24-L34 HydrophobicContact CG-CB 4.3Å; L24-L34 HydrophobicContact CG-CD1 4.47Å; L24-L34 PolarHBondContact O-N 3.32Å; L34-T36 PolarHBondContact O-N 2.9Å; L34-T36 VanDerWaalsContact O-N 3.07Å
35G90.6Very high92.8Very high84 Ų8455 Ų5587%0.86634%0.337SS*.SBendtrans74.5-13.417900000115.1
36T91.2Very high93Very high36 Ų3655 Ų5522%0.22135%0.346CS..  trans-77.9131.8172-52.50000109.9L34 F38 L131L34-T36 PolarHBondContact O-N 2.9Å; L34-T36 VanDerWaalsContact O-N 3.07Å; T36-F38 WeakPolarHBondContact CG2-O 3.42Å; T36-L131 HydrophobicContact CG2-CD1 4.28Å; T36-L131 HydrophobicContact CG2-CD2 3.95Å; T36-L131 WeakPolarHBondContact O-CD1 3.48Å
37C89.2Confident93.3Very high110 Ų11054.3 Ų54.374%0.74334%0.341SS*.  trans-100.2-22.2176.2-66.10000113.2
38F93.5Very high93.6Very high118 Ų11856.4 Ų56.452%0.51835%0.354SS..  trans-156.3144.6-177.7-175.6-96.9000109.9T36 D40 N132 W134T36-F38 WeakPolarHBondContact CG2-O 3.42Å; F38-D40 HydrophobicContact CE1-CB 4.33Å; F38-N132 WeakPolarHBondContact CA-OD1 3.14Å; F38-N132 HydrophobicContact CD2-CB 4.03Å; F38-N132 WeakPolarHBondContact CD2-OD1 3.41Å; F38-N132 HydrophobicContact CE2-CB 3.95Å; F38-N132 VanDerWaalsContact CE2-CG 3.49Å; F38-W134 HydrophobicContact CE2-CZ2 4.3Å; F38-W134 HydrophobicContact CZ-CZ2 4.5Å
39F93.6Very high93.9Very high31 Ų3155.9 Ų55.914%0.13635%0.346CS..  trans-124.3119.9175.5-167.1-78.8000109.4N20 Y33 L41 F124 M128 L131 N132N20-F39 HydrophobicContact CB-CE2 4.41Å; Y33-F39 HydrophobicContact CD2-CD2 4.07Å; Y33-F39 HydrophobicContact CD2-CE2 4.37Å; Y33-F39 AromaticContact CE2-CD2 3.89Å; Y33-F39 HydrophobicContact CE2-CD2 3.89Å; Y33-F39 AromaticContact CE2-CE2 3.79Å; Y33-F39 HydrophobicContact CE2-CE2 3.79Å; F39-L41 HydrophobicContact CD1-CD2 3.8Å; F39-L41 HydrophobicContact CD1-CG 4.24Å; F39-L41 HydrophobicContact CE1-CD2 4Å; F39-L41 PolarHBondContact O-N 3.29Å; F39-F124 HydrophobicContact CD1-CZ 4.36Å; F39-F124 AromaticContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CZ-CE2 4.46Å; F39-F124 AromaticContact CZ-CZ 3.94Å; F39-F124 HydrophobicContact CZ-CZ 3.94Å; F39-M128 HydrophobicContact CB-SD 3.64Å; F39-M128 HydrophobicContact CD1-CG 4.31Å; F39-M128 HydrophobicContact CD1-SD 3.83Å; F39-M128 HydrophobicContact CD2-SD 3.72Å; F39-M128 HydrophobicContact CE1-SD 4.44Å; F39-M128 HydrophobicContact CE2-SD 4.33Å; F39-M128 HydrophobicContact CG-CG 4.46Å; F39-M128 HydrophobicContact CG-SD 3.43Å; F39-M128 WeakPolarHBondContact CG-SD 3.22Å; F39-L131 HydrophobicContact CB-CD2 3.67Å; F39-N132 PolarHBondContact N-OD1 3Å; F39-N132 PolarHBondContact O-ND2 3.47Å; F39-N132 PolarHBondContact O-OD1 2.69Å
40D93.2Very high94.1Very high76 Ų7658.4 Ų58.441%0.40635%0.352SS..  trans-70.8115.9179175.835.6000111F38 S42 S43F38-D40 HydrophobicContact CE1-CB 4.33Å; D40-S42 WeakPolarHBondContact OD1-CB 3.4Å; D40-S42 PolarHBondContact OD1-N 3.21Å; D40-S43 WeakPolarHBondContact OD2-CB 3.39Å; D40-S43 PolarHBondContact OD2-OG 3.41Å
41L96Very high94.2Very high1 Ų161.2 Ų61.21%0.00537%0.366CS..  trans-102.1-8.9173.4-65.4174.3000112.4F39 W45 G46 I47 L53 F124 L125 M128 W134F39-L41 HydrophobicContact CD1-CD2 3.8Å; F39-L41 HydrophobicContact CD1-CG 4.24Å; F39-L41 HydrophobicContact CE1-CD2 4Å; F39-L41 PolarHBondContact O-N 3.29Å; L41-W45 HydrophobicContact CB-CB 4.45Å; L41-W45 HydrophobicContact CD2-CG 4.23Å; L41-W45 CarbonylContact O-C 3.55Å; L41-W45 WeakPolarHBondContact O-CA 3.4Å; L41-W45 VanDerWaalsContact O-CB 3.25Å; L41-W45 WeakPolarHBondContact O-CB 3.5Å; L41-W45 PolarHBondContact O-N 3.11Å; L41-G46 PolarHBondContact O-N 2.87Å; L41-G46 VanDerWaalsContact O-N 3.16Å; L41-I47 CarbonylContact C-O 3.37Å; L41-I47 HydrophobicContact CB-CB 3.88Å; L41-I47 HydrophobicContact CB-CG2 4.35Å; L41-I47 HydrophobicContact CD1-CG2 4.28Å; L41-I47 PolarHBondContact O-N 3.38Å; L41-L53 HydrophobicContact CD1-CD1 3.87Å; L41-F124 HydrophobicContact CD2-CE1 3.98Å; L41-F124 HydrophobicContact CD2-CZ 4.39Å; L41-L125 HydrophobicContact CD1-CD2 4.12Å; L41-L125 HydrophobicContact CD2-CD2 4.07Å; L41-M128 HydrophobicContact CD1-CB 3.95Å; L41-M128 HydrophobicContact CD2-CB 4.42Å; L41-M128 HydrophobicContact CD2-CG 4.3Å; L41-W134 HydrophobicContact CD1-CZ3 3.91Å
42S95.7Very high94.3Very high46 Ų4659.4 Ų59.432%0.32236%0.36SS..Hα-helixtrans-64.6-50.1-177.1-168.50000110.8D40 S44 G46 I47 D48D40-S42 WeakPolarHBondContact OD1-CB 3.4Å; D40-S42 PolarHBondContact OD1-N 3.21Å; S42-S44 PolarHBondContact O-N 3.25Å; S42-G46 VanDerWaalsContact O-CA 3.27Å; S42-G46 WeakPolarHBondContact O-CA 3.33Å; S42-G46 PolarHBondContact O-N 3.38Å; S42-I47 PolarHBondContact N-O 2.96Å; S42-D48 WeakPolarHBondContact CB-OD1 3.21Å; S42-D48 PolarHBondContact OG-OD1 3.15Å
43S89.2Confident94.5Very high93 Ų9359.4 Ų59.465%0.6536%0.36SS*.Hα-helixtrans-63.4-40.1-175.154.10000114.9D40D40-S43 WeakPolarHBondContact OD2-CB 3.39Å; D40-S43 PolarHBondContact OD2-OG 3.41Å
44S88.1Confident94.6Very high98 Ų9859.9 Ų59.969%0.68536%0.362SS*.Hα-helixtrans-104-21-173.1-62.90000114.2S42S42-S44 PolarHBondContact O-N 3.25Å
45W93.5Very high94.8Very high51 Ų5162.7 Ų62.719%0.19337%0.367CS..Hα-helixtrans-124.6-14.8-175.1-60.581.7000113.8M16 L41 I47 M60 R121 F124 L125M16-W45 HydrophobicContact CE-CH2 4.45Å; M16-W45 HydrophobicContact CE-CZ2 3.86Å; L41-W45 HydrophobicContact CB-CB 4.45Å; L41-W45 HydrophobicContact CD2-CG 4.23Å; L41-W45 CarbonylContact O-C 3.55Å; L41-W45 WeakPolarHBondContact O-CA 3.4Å; L41-W45 VanDerWaalsContact O-CB 3.25Å; L41-W45 WeakPolarHBondContact O-CB 3.5Å; L41-W45 PolarHBondContact O-N 3.11Å; W45-I47 VanDerWaalsContact C-N 3.33Å; W45-I47 HydrophobicContact CB-CB 4.4Å; W45-I47 HydrophobicContact CB-CD1 3.65Å; W45-I47 HydrophobicContact CB-CG1 3.82Å; W45-I47 HydrophobicContact CG-CD1 4.37Å; W45-M60 HydrophobicContact CZ3-SD 4.23Å; W45-R121 HydrophobicContact CH2-CB 3.86Å; W45-R121 HydrophobicContact CH2-CG 3.88Å; W45-R121 HydrophobicContact CZ3-CB 4.45Å; W45-F124 HydrophobicContact CH2-CD1 4.47Å; W45-F124 AromaticContact CZ2-CD1 4Å; W45-F124 HydrophobicContact CZ2-CD1 4Å; W45-F124 AromaticContact CZ2-CE1 3.95Å; W45-F124 HydrophobicContact CZ2-CE1 3.95Å; W45-F124 AromaticContact NE1-CE1 3.96Å; W45-L125 HydrophobicContact CD2-CD2 3.97Å; W45-L125 HydrophobicContact CE3-CD1 3.99Å; W45-L125 HydrophobicContact CE3-CD2 3.98Å; W45-L125 HydrophobicContact CE3-CG 4.35Å; W45-L125 HydrophobicContact CG-CD2 4.4Å; W45-L125 HydrophobicContact CH2-CD1 4.42Å; W45-L125 HydrophobicContact CH2-CD2 4.42Å; W45-L125 HydrophobicContact CH2-CG 4.33Å; W45-L125 HydrophobicContact CZ3-CD1 3.76Å; W45-L125 HydrophobicContact CZ3-CD2 4.19Å; W45-L125 HydrophobicContact CZ3-CG 4.11Å
46G96.4Very high95.1Very high49 Ų4959.5 Ų59.551%0.50533%0.331SS..  trans63.240.4-172.500000111.9L41 S42L41-G46 PolarHBondContact O-N 2.87Å; L41-G46 VanDerWaalsContact O-N 3.16Å; S42-G46 VanDerWaalsContact O-CA 3.27Å; S42-G46 WeakPolarHBondContact O-CA 3.33Å; S42-G46 PolarHBondContact O-N 3.38Å
47I98.4Very high95.4Very high1 Ų157.8 Ų57.81%0.00532%0.321CS..  trans-117.6113.2179.8-61.1170.8000108.3L41 S42 W45 D52 L53 T56 L125 W134L41-I47 CarbonylContact C-O 3.37Å; L41-I47 HydrophobicContact CB-CB 3.88Å; L41-I47 HydrophobicContact CB-CG2 4.35Å; L41-I47 HydrophobicContact CD1-CG2 4.28Å; L41-I47 PolarHBondContact O-N 3.38Å; S42-I47 PolarHBondContact N-O 2.96Å; W45-I47 VanDerWaalsContact C-N 3.33Å; W45-I47 HydrophobicContact CB-CB 4.4Å; W45-I47 HydrophobicContact CB-CD1 3.65Å; W45-I47 HydrophobicContact CB-CG1 3.82Å; W45-I47 HydrophobicContact CG-CD1 4.37Å; I47-D52 HydrophobicContact CB-CB 4.19Å; I47-D52 HydrophobicContact CG1-CB 4.41Å; I47-D52 HydrophobicContact CG2-CB 3.76Å; I47-L53 HydrophobicContact CD1-CD1 4.26Å; I47-L53 HydrophobicContact CG2-CB 3.9Å; I47-L53 HydrophobicContact CG2-CD1 4.2Å; I47-T56 HydrophobicContact CD1-CG2 4.02Å; I47-L125 HydrophobicContact CD1-CD1 4.28Å; I47-L125 HydrophobicContact CD1-CD2 3.78Å; I47-W134 HydrophobicContact CG2-CH2 4.25Å; I47-W134 HydrophobicContact CG2-CZ3 3.67Å
48D97.5Very high95.7Very high104 Ų10455.3 Ų55.356%0.55630%0.298SS*.  trans-105.9-19-177.9-67.3-51.9000113.2S42 D52 W134S42-D48 WeakPolarHBondContact CB-OD1 3.21Å; S42-D48 PolarHBondContact OG-OD1 3.15Å; D48-D52 PolarHBondContact N-OD2 3.3Å; D48-W134 VanDerWaalsContact O-CZ2 3.23Å; D48-W134 WeakPolarHBondContact O-CZ2 3.13Å
49D98Very high95.7Very high69 Ų6956.5 Ų56.537%0.36930%0.299SS..SBendtrans-147.9-179.1-176.766.638.9000114.6D51 D52 L53D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 2.89Å; D49-D51 WeakPolarHBondContact OD1-CA 3.48Å; D49-D51 WeakPolarHBondContact OD1-CB 3.33Å; D49-D51 PolarHBondContact OD1-N 2.68Å; D49-D52 PolarHBondContact OD1-N 3.38Å; D49-L53 WeakPolarHBondContact O-CB 3.42Å; D49-L53 PolarHBondContact O-N 3.49Å
50R98.3Very high95.8Very high70 Ų7055.2 Ų55.226%0.26429%0.294SS..Hα-helixtrans-58.1-39.2177.8-178.6-177.7-177.1-88.52.6112.5L53 L54 W134 L135 E139 T228R50-L53 WeakPolarHBondContact O-CB 3.2Å; R50-L53 PolarHBondContact O-N 3.47Å; R50-L54 HydrophobicContact CG-CD1 4.17Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 2.98Å; R50-W134 HydrophobicContact CB-CB 4Å; R50-W134 HydrophobicContact CB-CG 4.41Å; R50-W134 WeakPolarHBondContact CD-O 3.45Å; R50-W134 HydrophobicContact CG-CB 4.38Å; R50-W134 WeakPolarHBondContact CG-O 3.32Å; R50-W134 PolarHBondContact NE-O 3.06Å; R50-L135 HydrophobicContact CG-CD2 4.39Å; R50-E139 IonicContact CZ-OE1 3.06Å; R50-E139 IonicContact NH2-OE1 3.29Å; R50-E139 PolarHBondContact NH2-OE1 3.18Å; R50-T228 PolarHBondContact NH2-O 2.89Å
51D97.8Very high95.5Very high85 Ų8552.2 Ų52.246%0.45528%0.277SS..Hα-helixtrans-76-39.4-173.9-69.3-12.9000110.5D49 L53 L54 R55D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 2.89Å; D49-D51 WeakPolarHBondContact OD1-CA 3.48Å; D49-D51 WeakPolarHBondContact OD1-CB 3.33Å; D49-D51 PolarHBondContact OD1-N 2.68Å; D51-L53 VanDerWaalsContact C-N 3.28Å; D51-L53 PolarHBondContact O-N 3.18Å; D51-L54 PolarHBondContact O-N 2.8Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.39Å; D51-R55 VanDerWaalsContact O-CG 3.28Å; D51-R55 WeakPolarHBondContact O-CG 3.5Å; D51-R55 PolarHBondContact O-N 2.89Å
52D98Very high94.9Very high36 Ų3657.3 Ų57.319%0.19331%0.305CS..Hα-helixtrans-58.2-42.3168.9-77.8-26.4000111.8I47 D48 D49 R55 T56I47-D52 HydrophobicContact CB-CB 4.19Å; I47-D52 HydrophobicContact CG1-CB 4.41Å; I47-D52 HydrophobicContact CG2-CB 3.76Å; D48-D52 PolarHBondContact N-OD2 3.3Å; D49-D52 PolarHBondContact OD1-N 3.38Å; D52-R55 IonicContact OD1-CZ 2.98Å; D52-R55 IonicContact OD1-NE 2.84Å; D52-R55 IonicContact OD1-NH2 3.37Å; D52-R55 PolarHBondContact OD1-NH2 2.87Å; D52-T56 VanDerWaalsContact O-CB 3.3Å; D52-T56 WeakPolarHBondContact O-CB 3.4Å; D52-T56 PolarHBondContact O-N 2.98Å; D52-T56 PolarHBondContact O-OG1 3.14Å
53L98.4Very high94.7Very high0 Ų060.8 Ų60.80%032%0.32CS..Hα-helixtrans-61.6-52.8179-17579.8000110.7L41 I47 D49 R50 D51 T56 I57 L125 W134 L135L41-L53 HydrophobicContact CD1-CD1 3.87Å; I47-L53 HydrophobicContact CD1-CD1 4.26Å; I47-L53 HydrophobicContact CG2-CB 3.9Å; I47-L53 HydrophobicContact CG2-CD1 4.2Å; D49-L53 WeakPolarHBondContact O-CB 3.42Å; D49-L53 PolarHBondContact O-N 3.49Å; R50-L53 WeakPolarHBondContact O-CB 3.2Å; R50-L53 PolarHBondContact O-N 3.47Å; D51-L53 VanDerWaalsContact C-N 3.28Å; D51-L53 PolarHBondContact O-N 3.18Å; L53-T56 PolarHBondContact O-N 3.45Å; L53-I57 HydrophobicContact CD2-CD1 4.48Å; L53-I57 HydrophobicContact CG-CD1 4.04Å; L53-I57 WeakPolarHBondContact O-CG1 3.28Å; L53-I57 PolarHBondContact O-N 3.34Å; L53-L125 HydrophobicContact CD1-CB 3.92Å; L53-L125 HydrophobicContact CD1-CD2 4.08Å; L53-L125 HydrophobicContact CD1-CG 4.49Å; L53-W134 HydrophobicContact CB-CE3 4.22Å; L53-W134 HydrophobicContact CD2-CE3 4.24Å; L53-L135 HydrophobicContact CD2-CD1 3.67Å; L53-L135 HydrophobicContact CD2-CD2 4.48Å; L53-L135 HydrophobicContact CD2-CG 3.85Å
54L98Very high94.9Very high15 Ų1556.8 Ų56.88%0.07929%0.293CS..Hα-helixtrans-64.7-42.6-178.9-71.4177.7000111.7R50 D51 T56 I57 H58 L135 I143 L229 M232R50-L54 HydrophobicContact CG-CD1 4.17Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 2.98Å; D51-L54 PolarHBondContact O-N 2.8Å; L54-T56 VanDerWaalsContact C-N 3.31Å; L54-T56 PolarHBondContact O-N 3.37Å; L54-I57 PolarHBondContact O-N 3.44Å; L54-H58 WeakPolarHBondContact O-CB 3.47Å; L54-H58 PolarHBondContact O-N 2.89Å; L54-L135 HydrophobicContact CD2-CD2 3.97Å; L54-L135 HydrophobicContact CG-CD2 4.38Å; L54-I143 HydrophobicContact CD2-CD1 3.99Å; L54-L229 HydrophobicContact CD1-CD2 3.85Å; L54-L229 HydrophobicContact CD2-CD2 3.74Å; L54-L229 HydrophobicContact CG-CD2 4.48Å; L54-M232 HydrophobicContact CB-SD 4.4Å; L54-M232 HydrophobicContact CD2-CE 4.4Å; L54-M232 WeakPolarHBondContact O-CE 3.27Å
55R96.1Very high95.1Very high143 Ų14355.5 Ų55.554%0.5428%0.276SS..Hα-helixtrans-58.8-42.8173.7-77.9-170.5-66.6-98.14.2111.9D51 D52 H58 R59D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.39Å; D51-R55 VanDerWaalsContact O-CG 3.28Å; D51-R55 WeakPolarHBondContact O-CG 3.5Å; D51-R55 PolarHBondContact O-N 2.89Å; D52-R55 IonicContact OD1-CZ 2.98Å; D52-R55 IonicContact OD1-NE 2.84Å; D52-R55 IonicContact OD1-NH2 3.37Å; D52-R55 PolarHBondContact OD1-NH2 2.87Å; R55-H58 PolarHBondContact O-N 3.41Å; R55-R59 WeakPolarHBondContact O-CB 3.31Å; R55-R59 PolarHBondContact O-N 3.14Å
56T97.3Very high95.2Very high18 Ų1853.2 Ų53.211%0.1127%0.268CS..Hα-helixtrans-66.3-45.5179.8-61.40000111.3I47 D52 L53 L54 R59 M60 L125I47-T56 HydrophobicContact CD1-CG2 4.02Å; D52-T56 VanDerWaalsContact O-CB 3.3Å; D52-T56 WeakPolarHBondContact O-CB 3.4Å; D52-T56 PolarHBondContact O-N 2.98Å; D52-T56 PolarHBondContact O-OG1 3.14Å; L53-T56 PolarHBondContact O-N 3.45Å; L54-T56 VanDerWaalsContact C-N 3.31Å; L54-T56 PolarHBondContact O-N 3.37Å; T56-R59 PolarHBondContact O-N 3.49Å; T56-M60 HydrophobicContact CG2-SD 4.17Å; T56-M60 VanDerWaalsContact O-CG 3.29Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 2.97Å; T56-M60 VanDerWaalsContact O-N 3.14Å; T56-L125 HydrophobicContact CG2-CD1 3.8Å
57I97.2Very high95.1Very high0 Ų053.1 Ų53.10%026%0.262CS..Hα-helixtrans-60-49.1175.6-69.9169.7000110.4L53 L54 R59 M60 M122 L125 I143 M232 L235L53-I57 HydrophobicContact CD2-CD1 4.48Å; L53-I57 HydrophobicContact CG-CD1 4.04Å; L53-I57 WeakPolarHBondContact O-CG1 3.28Å; L53-I57 PolarHBondContact O-N 3.34Å; L54-I57 PolarHBondContact O-N 3.44Å; I57-R59 PolarHBondContact O-N 3.44Å; I57-M60 PolarHBondContact O-N 3.46Å; I57-M122 HydrophobicContact CG2-CE 3.88Å; I57-L125 HydrophobicContact CD1-CB 3.94Å; I57-L125 HydrophobicContact CG1-CB 3.83Å; I57-L125 HydrophobicContact CG1-CD1 4.09Å; I57-I143 HydrophobicContact CD1-CD1 4.45Å; I57-I143 HydrophobicContact CG2-CG2 3.93Å; I57-M232 HydrophobicContact CG2-CE 4.38Å; I57-L235 HydrophobicContact CG2-CD1 4.33Å
58H95Very high94.9Very high58 Ų5858.7 Ų58.727%0.26928%0.283SS..Hα-helixtrans-57.9-50.4179.3-165.8-92.1000111.1L54 R55 M60 I61 M232 D234L54-H58 WeakPolarHBondContact O-CB 3.47Å; L54-H58 PolarHBondContact O-N 2.89Å; R55-H58 PolarHBondContact O-N 3.41Å; H58-M60 VanDerWaalsContact C-N 3.28Å; H58-M60 PolarHBondContact O-N 2.94Å; H58-I61 WeakPolarHBondContact O-CB 3.45Å; H58-I61 WeakPolarHBondContact O-CG2 3.33Å; H58-I61 PolarHBondContact O-N 3.07Å; H58-M232 HydrophobicContact CB-CE 3.55Å; H58-M232 HydrophobicContact CB-SD 3.75Å; H58-M232 VanDerWaalsContact CD2-SD 3.56Å; H58-D234 IonicContact CD2-OD1 2.68Å; H58-D234 IonicContact CE1-OD1 3.49Å; H58-D234 IonicContact CE1-OD2 3.54Å; H58-D234 IonicContact NE2-OD1 3.89Å; H58-D234 PolarHBondContact NE2-OD1 3.11Å; H58-D234 IonicContact NE2-OD2 3.71Å; H58-D234 PolarHBondContact NE2-OD2 3.21Å
59R94.3Very high94.8Very high142 Ų14253.8 Ų53.854%0.53626%0.257SS..Hα-helixtrans-56.4-41.7179.7-176.6-171.168.1-174.8-4112.3R55 T56 I57 I61 N63R55-R59 WeakPolarHBondContact O-CB 3.31Å; R55-R59 PolarHBondContact O-N 3.14Å; T56-R59 PolarHBondContact O-N 3.49Å; I57-R59 PolarHBondContact O-N 3.44Å; R59-I61 PolarHBondContact O-N 2.98Å; R59-N63 HydrophobicContact CG-CB 4.05Å; R59-N63 CarbonylContact O-C 3.57Å; R59-N63 VanDerWaalsContact O-CA 3.28Å; R59-N63 WeakPolarHBondContact O-CA 3.37Å; R59-N63 VanDerWaalsContact O-CB 3.31Å; R59-N63 WeakPolarHBondContact O-CB 3.25Å; R59-N63 PolarHBondContact O-N 3.31Å
60M95Very high94.7Very high5 Ų552.1 Ų52.13%0.02525%0.252CS..Hα-helixtrans-66.9-15-174.5-75.2-176.665.500114.1W45 T56 I57 H58 G64 D118 R121 M122 L125W45-M60 HydrophobicContact CZ3-SD 4.23Å; T56-M60 HydrophobicContact CG2-SD 4.17Å; T56-M60 VanDerWaalsContact O-CG 3.29Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 2.97Å; T56-M60 VanDerWaalsContact O-N 3.14Å; I57-M60 PolarHBondContact O-N 3.46Å; H58-M60 VanDerWaalsContact C-N 3.28Å; H58-M60 PolarHBondContact O-N 2.94Å; M60-G64 PolarHBondContact O-N 3.42Å; M60-D118 HydrophobicContact CE-CB 3.99Å; M60-R121 HydrophobicContact CE-CB 3.52Å; M60-R121 HydrophobicContact CE-CG 4.4Å; M60-M122 HydrophobicContact CB-CG 3.77Å; M60-M122 HydrophobicContact CB-SD 4.1Å; M60-M122 HydrophobicContact CE-CG 4.42Å; M60-L125 HydrophobicContact SD-CD1 4.3Å
61I87.1Confident94.5Very high13 Ų1350.3 Ų50.37%0.06726%0.256CS..Hα-helixtrans-63.3-46.4-178.3-162.858.3000113H58 R59 Y119 M122 R150H58-I61 WeakPolarHBondContact O-CB 3.45Å; H58-I61 WeakPolarHBondContact O-CG2 3.33Å; H58-I61 PolarHBondContact O-N 3.07Å; R59-I61 PolarHBondContact O-N 2.98Å; I61-Y119 HydrophobicContact CD1-CE1 4.17Å; I61-M122 HydrophobicContact CB-CE 4.28Å; I61-M122 HydrophobicContact CD1-CE 3.78Å; I61-M122 HydrophobicContact CD1-SD 4.19Å; I61-R150 VanDerWaalsContact CD1-NE 3.32Å
62D84.2Confident94.5Very high108 Ų10847.3 Ų47.358%0.57824%0.238SC*.Hα-helixtrans-118.9-20.5-176.8-69.9-37.9000112.3A67D62-A67 WeakPolarHBondContact O-CB 3.32Å
63N90.9Very high94.5Very high119 Ų11945.7 Ų45.764%0.63623%0.23SC*.Hα-helixtrans-121.230.7-177.1-56.3-65.7000112.2R59R59-N63 HydrophobicContact CG-CB 4.05Å; R59-N63 CarbonylContact O-C 3.57Å; R59-N63 VanDerWaalsContact O-CA 3.28Å; R59-N63 WeakPolarHBondContact O-CA 3.37Å; R59-N63 VanDerWaalsContact O-CB 3.31Å; R59-N63 WeakPolarHBondContact O-CB 3.25Å; R59-N63 PolarHBondContact O-N 3.31Å
64G92.9Very high94.4Very high8 Ų850.5 Ų50.58%0.08225%0.252CS..SBendtrans-73.8-178.6166.700000112.9M60 A66 A67 D118M60-G64 PolarHBondContact O-N 3.42Å; G64-A66 PolarHBondContact O-N 3.44Å; G64-A67 VanDerWaalsContact O-CB 3.31Å; G64-A67 WeakPolarHBondContact O-CB 3.39Å; G64-A67 PolarHBondContact O-N 3.12Å; G64-D118 WeakPolarHBondContact CA-OD2 3.22Å
65H92.9Very high94.3Very high72 Ų7253.6 Ų53.633%0.33326%0.263SS..THydrogen-bonded Turntrans-67.9-27.5-178.5-64.3-13.9000112.6A67 R68 W117 D118 R121 Y171 W172H65-A67 PolarHBondContact O-N 2.77Å; H65-R68 PolarHBondContact O-N 2.85Å; H65-W117 AromaticContact CD2-NE1 3.47Å; H65-W117 PolarHBondContact CD2-NE1 3.46Å; H65-D118 PolarHBondContact N-OD1 2.91Å; H65-D118 PolarHBondContact N-OD2 3.36Å; H65-D118 VanDerWaalsContact N-OD2 3.11Å; H65-R121 PolarHBondContact CD2-NH1 3.4Å; H65-R121 VanDerWaalsContact CD2-NH1 3.34Å; H65-R121 PolarHBondContact NE2-NH1 2.65Å; H65-Y171 HydrophobicContact CB-CE1 4.43Å; H65-W172 AromaticContact CD2-CD1 3.2Å; H65-W172 AromaticContact CD2-NE1 3.91Å; H65-W172 AromaticContact NE2-CD1 3.41Å; H65-W172 AromaticContact NE2-NE1 3.65Å
66A95.7Very high94.4Very high3 Ų350.2 Ų50.23%0.02525%0.25CC..THydrogen-bonded Turntrans-64.3-23.7177.300000113.1G64 R68 L69 A70 I114 K115 D118G64-A66 PolarHBondContact O-N 3.44Å; A66-R68 PolarHBondContact O-N 2.91Å; A66-L69 PolarHBondContact O-N 2.89Å; A66-A70 PolarHBondContact O-N 3.49Å; A66-I114 HydrophobicContact CB-CD1 4.28Å; A66-I114 HydrophobicContact CB-CG1 3.82Å; A66-K115 HydrophobicContact CB-CB 4.46Å; A66-K115 HydrophobicContact CB-CG 4.13Å; A66-D118 WeakPolarHBondContact CB-OD2 3.09Å; A66-D118 PolarHBondContact N-OD2 2.9Å
67A94.6Very high94.3Very high46 Ų4652.6 Ų52.638%0.3826%0.259SS..Hα-helixtrans-56.7-35.7179.600000112.1D62 G64 H65 L69 A70D62-A67 WeakPolarHBondContact O-CB 3.32Å; G64-A67 VanDerWaalsContact O-CB 3.31Å; G64-A67 WeakPolarHBondContact O-CB 3.39Å; G64-A67 PolarHBondContact O-N 3.12Å; H65-A67 PolarHBondContact O-N 2.77Å; A67-L69 VanDerWaalsContact C-N 3.29Å; A67-L69 PolarHBondContact O-N 3.04Å; A67-A70 PolarHBondContact O-N 2.87Å
68R93.3Very high94.3Very high119 Ų11958.4 Ų58.445%0.44928%0.281SS..Hα-helixtrans-65.3-30179.3-175.6155174.3-166.117.7113.2H65 A66 Y171 D177H65-R68 PolarHBondContact O-N 2.85Å; A66-R68 PolarHBondContact O-N 2.91Å; R68-Y171 WeakPolarHBondContact CB-OH 3.44Å; R68-Y171 WeakPolarHBondContact CD-OH 3.34Å; R68-Y171 VanDerWaalsContact CG-OH 3.26Å; R68-Y171 WeakPolarHBondContact CG-OH 3.33Å; R68-D177 IonicContact CZ-OD2 3.38Å; R68-D177 IonicContact NH1-OD1 3.7Å; R68-D177 IonicContact NH1-OD2 3.1Å; R68-D177 PolarHBondContact NH1-OD2 3.15Å; R68-D177 VanDerWaalsContact NH1-OD2 3.1Å; R68-D177 IonicContact NH2-OD1 3.83Å; R68-D177 IonicContact NH2-OD2 2.7Å; R68-D177 PolarHBondContact NH2-OD2 3.09Å
69L95.7Very high94.4Very high0 Ų059.8 Ų59.80%028%0.284CS..Hα-helixtrans-99.8-10.3177.5-60.9-166.1000114.2A66 A67 G71 F72 Y73 Y98 F101 V102 I114 Y171A66-L69 PolarHBondContact O-N 2.89Å; A67-L69 VanDerWaalsContact C-N 3.29Å; A67-L69 PolarHBondContact O-N 3.04Å; L69-G71 VanDerWaalsContact C-N 3.3Å; L69-G71 PolarHBondContact O-N 3.16Å; L69-F72 HydrophobicContact CD2-CD2 4.09Å; L69-F72 HydrophobicContact CD2-CE2 4.35Å; L69-F72 WeakPolarHBondContact O-CB 3.39Å; L69-F72 PolarHBondContact O-N 3.41Å; L69-Y73 HydrophobicContact CB-CD2 4.13Å; L69-Y73 HydrophobicContact CB-CE2 4.08Å; L69-Y73 HydrophobicContact CD1-CE2 4.44Å; L69-Y73 WeakPolarHBondContact O-CD2 3.05Å; L69-Y73 PolarHBondContact O-N 2.55Å; L69-Y73 VanDerWaalsContact O-N 3.16Å; L69-Y98 HydrophobicContact CD2-CD1 4.21Å; L69-Y98 HydrophobicContact CD2-CD2 4.39Å; L69-Y98 HydrophobicContact CD2-CG 3.9Å; L69-F101 HydrophobicContact CD1-CD1 3.92Å; L69-F101 HydrophobicContact CD1-CE1 4.02Å; L69-V102 HydrophobicContact CB-CG2 4.45Å; L69-V102 HydrophobicContact CD1-CG2 4.29Å; L69-I114 HydrophobicContact CB-CD1 4.22Å; L69-I114 HydrophobicContact CB-CG1 4.3Å; L69-I114 HydrophobicContact CD1-CD1 3.76Å; L69-I114 HydrophobicContact CD1-CG1 4.35Å; L69-I114 HydrophobicContact CG-CD1 4.11Å; L69-Y171 HydrophobicContact CD1-CD1 4.37Å; L69-Y171 HydrophobicContact CD1-CD2 3.7Å; L69-Y171 HydrophobicContact CD1-CE2 4Å; L69-Y171 HydrophobicContact CD1-CG 3.9Å; L69-Y171 HydrophobicContact CD2-CD2 4.47Å; L69-Y171 HydrophobicContact CD2-CE2 3.98Å; L69-Y171 HydrophobicContact CG-CD2 4.21Å; L69-Y171 HydrophobicContact CG-CE1 4.43Å; L69-Y171 HydrophobicContact CG-CE2 3.98Å
70A95.2Very high94.6Very high34 Ų3455.3 Ų55.328%0.28128%0.275SS..Hα-helixtrans-57.1-40.6-173.500000113A66 A67 F72 Y73 H74A66-A70 PolarHBondContact O-N 3.49Å; A67-A70 PolarHBondContact O-N 2.87Å; A70-F72 VanDerWaalsContact C-N 3.34Å; A70-F72 PolarHBondContact O-N 3.48Å; A70-Y73 PolarHBondContact O-N 3.27Å; A70-H74 VanDerWaalsContact O-CB 3.31Å; A70-H74 WeakPolarHBondContact O-CB 3.42Å; A70-H74 PolarHBondContact O-N 3.26Å
71G95.3Very high94.6Very high32 Ų3260.5 Ų60.533%0.3331%0.309SS..Hα-helixtrans-65.1-34.2177.600000113.6L69 R75L69-G71 VanDerWaalsContact C-N 3.3Å; L69-G71 PolarHBondContact O-N 3.16Å; G71-R75 WeakPolarHBondContact O-CG 3.38Å; G71-R75 PolarHBondContact O-N 3.39Å; G71-R75 VanDerWaalsContact O-N 3.16Å; G71-R75 PolarHBondContact O-NH1 3.44Å
72F97.4Very high95.2Very high22 Ų2262.9 Ų62.910%0.09633%0.326CS..Hα-helixtrans-69.5-48.7176.6-66-83.4000111L69 A70 H74 R75 W76 W84 Y87 L91 A99 V102L69-F72 HydrophobicContact CD2-CD2 4.09Å; L69-F72 HydrophobicContact CD2-CE2 4.35Å; L69-F72 WeakPolarHBondContact O-CB 3.39Å; L69-F72 PolarHBondContact O-N 3.41Å; A70-F72 VanDerWaalsContact C-N 3.34Å; A70-F72 PolarHBondContact O-N 3.48Å; F72-H74 VanDerWaalsContact C-N 3.33Å; F72-H74 PolarHBondContact O-N 2.95Å; F72-R75 PolarHBondContact O-N 2.9Å; F72-W76 WeakPolarHBondContact O-CB 3.43Å; F72-W76 PolarHBondContact O-N 3.25Å; F72-W84 HydrophobicContact CD1-CH2 4.47Å; F72-Y87 AromaticContact CD1-CE1 3.87Å; F72-Y87 HydrophobicContact CD1-CE1 3.87Å; F72-Y87 WeakPolarHBondContact CD1-OH 3.5Å; F72-Y87 HydrophobicContact CE1-CE1 4.09Å; F72-Y87 WeakPolarHBondContact CE1-OH 3.45Å; F72-L91 HydrophobicContact CE1-CD1 3.72Å; F72-L91 HydrophobicContact CE1-CD2 4.12Å; F72-L91 HydrophobicContact CZ-CD2 4.41Å; F72-A99 HydrophobicContact CD1-CB 3.76Å; F72-A99 HydrophobicContact CE1-CB 3.89Å; F72-V102 HydrophobicContact CB-CB 4.1Å; F72-V102 HydrophobicContact CB-CG1 3.93Å; F72-V102 HydrophobicContact CB-CG2 3.65Å; F72-V102 HydrophobicContact CG-CG2 4.41Å
73Y97.6Very high95.8Very high3 Ų362.3 Ų62.31%0.01232%0.32CS..Hα-helixtrans-60.2-44.2176.4-80.1-77.1000111.3L69 A70 R75 W76 F77 V102 T105 A106 C109 G113 I114L69-Y73 HydrophobicContact CB-CD2 4.13Å; L69-Y73 HydrophobicContact CB-CE2 4.08Å; L69-Y73 HydrophobicContact CD1-CE2 4.44Å; L69-Y73 WeakPolarHBondContact O-CD2 3.05Å; L69-Y73 PolarHBondContact O-N 2.55Å; L69-Y73 VanDerWaalsContact O-N 3.16Å; A70-Y73 PolarHBondContact O-N 3.27Å; Y73-R75 VanDerWaalsContact C-N 3.33Å; Y73-R75 PolarHBondContact O-N 3.34Å; Y73-W76 PolarHBondContact O-N 3.45Å; Y73-F77 WeakPolarHBondContact O-CD2 3.16Å; Y73-F77 PolarHBondContact O-N 2.8Å; Y73-V102 HydrophobicContact CD1-CG1 3.82Å; Y73-V102 HydrophobicContact CD2-CG1 4.22Å; Y73-V102 HydrophobicContact CD2-CG2 4Å; Y73-V102 HydrophobicContact CE1-CG1 4.03Å; Y73-V102 HydrophobicContact CE2-CG1 4.42Å; Y73-V102 HydrophobicContact CE2-CG2 3.76Å; Y73-V102 HydrophobicContact CG-CG1 3.92Å; Y73-T105 PolarHBondContact OH-OG1 3.16Å; Y73-A106 HydrophobicContact CD1-CB 4.26Å; Y73-A106 HydrophobicContact CE1-CB 4.2Å; Y73-C109 HydrophobicContact CE1-CB 4.24Å; Y73-G113 VanDerWaalsContact CD1-CA 3.46Å; Y73-G113 VanDerWaalsContact CE1-CA 3.44Å; Y73-I114 HydrophobicContact CE2-CG1 4.31Å; Y73-I114 HydrophobicContact CE2-CG2 4.07Å
74H95.8Very high96.1Very high100 Ų10057.8 Ų57.846%0.46329%0.294SS..Hα-helixtrans-58-44.4178.9-177.680.3000112.7A70 F72 R78A70-H74 VanDerWaalsContact O-CB 3.31Å; A70-H74 WeakPolarHBondContact O-CB 3.42Å; A70-H74 PolarHBondContact O-N 3.26Å; F72-H74 VanDerWaalsContact C-N 3.33Å; F72-H74 PolarHBondContact O-N 2.95Å; H74-R78 VanDerWaalsContact CE1-CD 3.49Å; H74-R78 WeakPolarHBondContact CE1-CD 3.09Å; H74-R78 PolarHBondContact CE1-NE 2.84Å; H74-R78 PolarHBondContact ND1-NH1 3.46Å; H74-R78 VanDerWaalsContact ND1-NH1 3.17Å; H74-R78 WeakPolarHBondContact NE2-CD 3.45Å; H74-R78 WeakPolarHBondContact O-CD 3.44Å; H74-R78 WeakPolarHBondContact O-CG 2.97Å; H74-R78 PolarHBondContact O-NH1 3.01Å
75R96.9Very high96.3Very high80 Ų8064.4 Ų64.430%0.30232%0.316SS..Hα-helixtrans-69.9-41.8177.5-72.2-179.8-169.3102.5-1.6112.2G71 F72 Y73 F77 R78 Y79 W84 Y87G71-R75 WeakPolarHBondContact O-CG 3.38Å; G71-R75 PolarHBondContact O-N 3.39Å; G71-R75 VanDerWaalsContact O-N 3.16Å; G71-R75 PolarHBondContact O-NH1 3.44Å; F72-R75 PolarHBondContact O-N 2.9Å; Y73-R75 VanDerWaalsContact C-N 3.33Å; Y73-R75 PolarHBondContact O-N 3.34Å; R75-F77 VanDerWaalsContact C-N 3.25Å; R75-F77 PolarHBondContact O-N 3.31Å; R75-R78 PolarHBondContact O-N 3.45Å; R75-Y79 HydrophobicContact CB-CD1 4.44Å; R75-Y79 HydrophobicContact CB-CD2 4.01Å; R75-Y79 HydrophobicContact CB-CE1 4.42Å; R75-Y79 HydrophobicContact CB-CE2 3.98Å; R75-Y79 HydrophobicContact CB-CG 4.25Å; R75-Y79 HydrophobicContact CG-CD2 4.43Å; R75-Y79 HydrophobicContact CG-CE1 4.13Å; R75-Y79 HydrophobicContact CG-CE2 3.9Å; R75-Y79 WeakPolarHBondContact O-CB 3.15Å; R75-Y79 PolarHBondContact O-N 2.91Å; R75-W84 HydrophobicContact CB-CE3 4.45Å; R75-W84 HydrophobicContact CB-CZ3 4.11Å; R75-Y87 PolarHBondContact NH1-OH 2.77Å
76W97.3Very high96.6Very high72 Ų7265.2 Ų65.227%0.27332%0.323SS..Hα-helixtrans-52.2-43.9179.6176.8-95.2000112.5F72 Y73 R78 W84 V102 A103 A106F72-W76 WeakPolarHBondContact O-CB 3.43Å; F72-W76 PolarHBondContact O-N 3.25Å; Y73-W76 PolarHBondContact O-N 3.45Å; W76-R78 VanDerWaalsContact C-N 3.3Å; W76-R78 PolarHBondContact O-N 2.98Å; W76-W84 HydrophobicContact CB-CH2 4.43Å; W76-W84 HydrophobicContact CB-CZ3 4.19Å; W76-W84 AromaticContact CE3-CD2 3.77Å; W76-W84 HydrophobicContact CE3-CD2 3.77Å; W76-W84 AromaticContact CE3-CE2 3.5Å; W76-W84 HydrophobicContact CE3-CE3 4.2Å; W76-W84 HydrophobicContact CE3-CG 4.22Å; W76-W84 HydrophobicContact CE3-CH2 4.15Å; W76-W84 AromaticContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ3 4.38Å; W76-W84 AromaticContact CE3-NE1 3.81Å; W76-W84 AromaticContact CZ3-CD1 3.83Å; W76-W84 HydrophobicContact CZ3-CD2 4.16Å; W76-W84 AromaticContact CZ3-CE2 3.72Å; W76-W84 HydrophobicContact CZ3-CG 4.23Å; W76-W84 HydrophobicContact CZ3-CZ2 4.19Å; W76-W84 AromaticContact CZ3-NE1 3.49Å; W76-V102 HydrophobicContact CB-CG1 4.3Å; W76-A103 HydrophobicContact CD2-CB 4.37Å; W76-A103 HydrophobicContact CE3-CB 3.71Å; W76-A103 HydrophobicContact CH2-CB 3.54Å; W76-A103 HydrophobicContact CZ2-CB 4.21Å; W76-A103 HydrophobicContact CZ3-CB 3.26Å; W76-A106 HydrophobicContact CD2-CB 4.44Å; W76-A106 HydrophobicContact CG-CB 3.94Å; W76-A106 VanDerWaalsContact NE1-CB 3.28Å
77F95.7Very high96.6Very high68 Ų6866.1 Ų66.130%0.29833%0.326SS..THydrogen-bonded Turntrans-80.2-3.4180-74.7-77.1000115Y73 R75 A106 G110 E111Y73-F77 WeakPolarHBondContact O-CD2 3.16Å; Y73-F77 PolarHBondContact O-N 2.8Å; R75-F77 VanDerWaalsContact C-N 3.25Å; R75-F77 PolarHBondContact O-N 3.31Å; F77-A106 HydrophobicContact CE2-CB 3.89Å; F77-A106 HydrophobicContact CZ-CB 3.92Å; F77-A106 WeakPolarHBondContact CZ-O 3.48Å; F77-G110 WeakPolarHBondContact CE2-O 3.49Å; F77-G110 VanDerWaalsContact CZ-C 3.48Å; F77-E111 HydrophobicContact CB-CG 3.86Å; F77-E111 HydrophobicContact CD1-CG 4.09Å; F77-E111 HydrophobicContact CD2-CB 4.25Å; F77-E111 HydrophobicContact CD2-CG 3.65Å; F77-E111 HydrophobicContact CE2-CG 4.2Å; F77-E111 HydrophobicContact CG-CG 3.59Å
78R96.7Very high96.7Very high122 Ų12266.4 Ų66.446%0.4632%0.321SS..THydrogen-bonded Turntrans-123.4-25.6-174-72.8172.9177.669.38.6113.8H74 R75 W76 E111H74-R78 VanDerWaalsContact CE1-CD 3.49Å; H74-R78 WeakPolarHBondContact CE1-CD 3.09Å; H74-R78 PolarHBondContact CE1-NE 2.84Å; H74-R78 PolarHBondContact ND1-NH1 3.46Å; H74-R78 VanDerWaalsContact ND1-NH1 3.17Å; H74-R78 WeakPolarHBondContact NE2-CD 3.45Å; H74-R78 WeakPolarHBondContact O-CD 3.44Å; H74-R78 WeakPolarHBondContact O-CG 2.97Å; H74-R78 PolarHBondContact O-NH1 3.01Å; R75-R78 PolarHBondContact O-N 3.45Å; W76-R78 VanDerWaalsContact C-N 3.3Å; W76-R78 PolarHBondContact O-N 2.98Å; R78-E111 IonicContact CZ-OE2 3.99Å; R78-E111 IonicContact NH1-OE2 3.44Å; R78-E111 PolarHBondContact NH1-OE2 2.93Å; R78-E111 IonicContact NH2-OE2 2.64Å; R78-E111 PolarHBondContact NH2-OE2 2.84Å
79Y97.9Very high96.8Very high88 Ų8864.6 Ų64.635%0.34533%0.331SS..SBendtrans-82.8140.4179.2-76.96.2000110.6R75 E83 W84 Y87R75-Y79 HydrophobicContact CB-CD1 4.44Å; R75-Y79 HydrophobicContact CB-CD2 4.01Å; R75-Y79 HydrophobicContact CB-CE1 4.42Å; R75-Y79 HydrophobicContact CB-CE2 3.98Å; R75-Y79 HydrophobicContact CB-CG 4.25Å; R75-Y79 HydrophobicContact CG-CD2 4.43Å; R75-Y79 HydrophobicContact CG-CE1 4.13Å; R75-Y79 HydrophobicContact CG-CE2 3.9Å; R75-Y79 WeakPolarHBondContact O-CB 3.15Å; R75-Y79 PolarHBondContact O-N 2.91Å; Y79-E83 HydrophobicContact CD1-CB 4.36Å; Y79-E83 HydrophobicContact CD2-CB 3.94Å; Y79-E83 HydrophobicContact CG-CB 3.81Å; Y79-W84 HydrophobicContact CD2-CE3 4.38Å; Y79-Y87 HydrophobicContact CE2-CD1 4.44Å; Y79-Y87 HydrophobicContact CE2-CG 4.06Å
80S97.8Very high96.9Very high48 Ų4872.1 Ų72.134%0.33637%0.366SS..  trans-63.1160.6160.166.20000110.5C82 E83 W84S80-C82 PolarHBondContact O-N 2.98Å; S80-C82 VanDerWaalsContact O-N 3.11Å; S80-E83 VanDerWaalsContact CB-OE2 3.27Å; S80-E83 WeakPolarHBondContact CB-OE2 3.38Å; S80-E83 PolarHBondContact N-OE2 3.07Å; S80-E83 PolarHBondContact O-N 2.94Å; S80-E83 VanDerWaalsContact O-N 3.12Å; S80-E83 WeakPolarHBondContact OG-CG 3.4Å; S80-E83 PolarHBondContact OG-N 3.25Å; S80-E83 PolarHBondContact OG-OE2 3.07Å; S80-W84 PolarHBondContact O-N 2.9Å
81P96.3Very high96.9Very high113 Ų11372 Ų7273%0.73436%0.361SS*.Hα-helixtrans-55.6-30.4175.5-28.536.1000114.1R85P81-R85 WeakPolarHBondContact O-CB 3.23Å; P81-R85 PolarHBondContact O-N 3.31Å; P81-R85 VanDerWaalsContact O-N 3.1Å
82C98.1Very high96.9Very high64 Ų6475.4 Ų75.443%0.43237%0.372SS..Hα-helixtrans-70.1-50.2175.4-67.20000111.6S80 W84 R85 D86S80-C82 PolarHBondContact O-N 2.98Å; S80-C82 VanDerWaalsContact O-N 3.11Å; C82-W84 VanDerWaalsContact C-N 3.29Å; C82-W84 PolarHBondContact O-N 3.1Å; C82-R85 WeakPolarHBondContact O-CB 3.27Å; C82-R85 PolarHBondContact O-N 2.93Å; C82-R85 VanDerWaalsContact O-N 3.16Å; C82-R85 PolarHBondContact SG-NH2 3.42Å; C82-D86 PolarHBondContact O-N 3.38Å
83E98.4Very high96.6Very high96 Ų9680.4 Ų80.445%0.44940%0.395SS..Hα-helixtrans-61.8-38177.6-70.1162.4129.600111.8Y79 S80 D86 Y87Y79-E83 HydrophobicContact CD1-CB 4.36Å; Y79-E83 HydrophobicContact CD2-CB 3.94Å; Y79-E83 HydrophobicContact CG-CB 3.81Å; S80-E83 VanDerWaalsContact CB-OE2 3.27Å; S80-E83 WeakPolarHBondContact CB-OE2 3.38Å; S80-E83 PolarHBondContact N-OE2 3.07Å; S80-E83 PolarHBondContact O-N 2.94Å; S80-E83 VanDerWaalsContact O-N 3.12Å; S80-E83 WeakPolarHBondContact OG-CG 3.4Å; S80-E83 PolarHBondContact OG-N 3.25Å; S80-E83 PolarHBondContact OG-OE2 3.07Å; E83-D86 PolarHBondContact O-N 2.92Å; E83-Y87 VanDerWaalsContact O-CB 3.27Å; E83-Y87 WeakPolarHBondContact O-CB 3.47Å; E83-Y87 PolarHBondContact O-N 3.34Å
84W97.4Very high96.3Very high24 Ų2482.2 Ų82.29%0.09140%0.404CS..Hα-helixtrans-62.8-45174.2-178.2-104.9000111.8F72 R75 W76 Y79 S80 C82 Y87 L88 A99 A103F72-W84 HydrophobicContact CD1-CH2 4.47Å; R75-W84 HydrophobicContact CB-CE3 4.45Å; R75-W84 HydrophobicContact CB-CZ3 4.11Å; W76-W84 HydrophobicContact CB-CH2 4.43Å; W76-W84 HydrophobicContact CB-CZ3 4.19Å; W76-W84 AromaticContact CE3-CD2 3.77Å; W76-W84 HydrophobicContact CE3-CD2 3.77Å; W76-W84 AromaticContact CE3-CE2 3.5Å; W76-W84 HydrophobicContact CE3-CE3 4.2Å; W76-W84 HydrophobicContact CE3-CG 4.22Å; W76-W84 HydrophobicContact CE3-CH2 4.15Å; W76-W84 AromaticContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ3 4.38Å; W76-W84 AromaticContact CE3-NE1 3.81Å; W76-W84 AromaticContact CZ3-CD1 3.83Å; W76-W84 HydrophobicContact CZ3-CD2 4.16Å; W76-W84 AromaticContact CZ3-CE2 3.72Å; W76-W84 HydrophobicContact CZ3-CG 4.23Å; W76-W84 HydrophobicContact CZ3-CZ2 4.19Å; W76-W84 AromaticContact CZ3-NE1 3.49Å; Y79-W84 HydrophobicContact CD2-CE3 4.38Å; S80-W84 PolarHBondContact O-N 2.9Å; C82-W84 VanDerWaalsContact C-N 3.29Å; C82-W84 PolarHBondContact O-N 3.1Å; W84-Y87 AromaticContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CH2-CD1 4.45Å; W84-Y87 HydrophobicContact CH2-CE1 4.32Å; W84-Y87 AromaticContact CZ3-CD1 3.83Å; W84-Y87 HydrophobicContact CZ3-CD1 3.83Å; W84-Y87 AromaticContact CZ3-CE1 3.91Å; W84-Y87 HydrophobicContact CZ3-CE1 3.91Å; W84-Y87 PolarHBondContact O-N 3.36Å; W84-L88 HydrophobicContact CZ2-CD2 4.07Å; W84-L88 VanDerWaalsContact O-CG 3.29Å; W84-L88 WeakPolarHBondContact O-CG 3.43Å; W84-L88 PolarHBondContact O-N 3.31Å; W84-A99 HydrophobicContact CH2-CB 4.02Å; W84-A99 HydrophobicContact CZ2-CB 3.78Å; W84-A103 HydrophobicContact CZ2-CB 4.34Å
85R96.7Very high96.3Very high146 Ų14677.7 Ų77.755%0.55138%0.384SS*.Hα-helixtrans-61.9-43.3176175.9-175.858-139.8-11.3112P81 C82 Y87 L88 A89P81-R85 WeakPolarHBondContact O-CB 3.23Å; P81-R85 PolarHBondContact O-N 3.31Å; P81-R85 VanDerWaalsContact O-N 3.1Å; C82-R85 WeakPolarHBondContact O-CB 3.27Å; C82-R85 PolarHBondContact O-N 2.93Å; C82-R85 VanDerWaalsContact O-N 3.16Å; C82-R85 PolarHBondContact SG-NH2 3.42Å; R85-Y87 VanDerWaalsContact C-N 3.34Å; R85-L88 WeakPolarHBondContact O-CB 3.44Å; R85-L88 PolarHBondContact O-N 2.84Å; R85-A89 PolarHBondContact O-N 3.16Å
86D97.7Very high96.2Very high90 Ų9077.2 Ų77.248%0.48139%0.386SS..Hα-helixtrans-66.1-41.9180-62.2-12.8000110C82 E83 L88 A89 E90C82-D86 PolarHBondContact O-N 3.38Å; E83-D86 PolarHBondContact O-N 2.92Å; D86-L88 PolarHBondContact O-N 3.07Å; D86-A89 WeakPolarHBondContact O-CB 3.48Å; D86-A89 PolarHBondContact O-N 2.99Å; D86-A89 VanDerWaalsContact O-N 3.13Å; D86-E90 PolarHBondContact O-N 3.33Å
87Y96.9Very high96Very high22 Ų2274 Ų749%0.08637%0.374CS..Hα-helixtrans-60.1-42171.9173.2-118.9000113F72 R75 Y79 E83 W84 R85 A89 E90 L91F72-Y87 AromaticContact CD1-CE1 3.87Å; F72-Y87 HydrophobicContact CD1-CE1 3.87Å; F72-Y87 WeakPolarHBondContact CD1-OH 3.5Å; F72-Y87 HydrophobicContact CE1-CE1 4.09Å; F72-Y87 WeakPolarHBondContact CE1-OH 3.45Å; R75-Y87 PolarHBondContact NH1-OH 2.77Å; Y79-Y87 HydrophobicContact CE2-CD1 4.44Å; Y79-Y87 HydrophobicContact CE2-CG 4.06Å; E83-Y87 VanDerWaalsContact O-CB 3.27Å; E83-Y87 WeakPolarHBondContact O-CB 3.47Å; E83-Y87 PolarHBondContact O-N 3.34Å; W84-Y87 AromaticContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CH2-CD1 4.45Å; W84-Y87 HydrophobicContact CH2-CE1 4.32Å; W84-Y87 AromaticContact CZ3-CD1 3.83Å; W84-Y87 HydrophobicContact CZ3-CD1 3.83Å; W84-Y87 AromaticContact CZ3-CE1 3.91Å; W84-Y87 HydrophobicContact CZ3-CE1 3.91Å; W84-Y87 PolarHBondContact O-N 3.36Å; R85-Y87 VanDerWaalsContact C-N 3.34Å; Y87-A89 PolarHBondContact O-N 3.03Å; Y87-E90 PolarHBondContact O-N 2.89Å; Y87-E90 VanDerWaalsContact O-N 3.12Å; Y87-L91 HydrophobicContact CD1-CD1 4.39Å; Y87-L91 HydrophobicContact CE1-CD1 3.95Å; Y87-L91 HydrophobicContact CE2-CD2 3.95Å; Y87-L91 HydrophobicContact CE2-CG 4.31Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å
88L96.3Very high96Very high51 Ų5171 Ų7127%0.26736%0.361SS..Hα-helixtrans-59.5-33.9175.5-73178.8000112.4W84 R85 D86 E90 L91 Q96 A99W84-L88 HydrophobicContact CZ2-CD2 4.07Å; W84-L88 VanDerWaalsContact O-CG 3.29Å; W84-L88 WeakPolarHBondContact O-CG 3.43Å; W84-L88 PolarHBondContact O-N 3.31Å; R85-L88 WeakPolarHBondContact O-CB 3.44Å; R85-L88 PolarHBondContact O-N 2.84Å; D86-L88 PolarHBondContact O-N 3.07Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 3.29Å; L88-L91 HydrophobicContact CD2-CD1 4.11Å; L88-L91 PolarHBondContact O-N 3.13Å; L88-Q96 PolarHBondContact O-NE2 3.4Å; L88-A99 HydrophobicContact CD2-CB 3.31Å
89A96.3Very high95.9Very high81 Ų8165.2 Ų65.267%0.66934%0.339SS*.Hα-helixtrans-70.7-21179.200000113.2R85 D86 Y87R85-A89 PolarHBondContact O-N 3.16Å; D86-A89 WeakPolarHBondContact O-CB 3.48Å; D86-A89 PolarHBondContact O-N 2.99Å; D86-A89 VanDerWaalsContact O-N 3.13Å; Y87-A89 PolarHBondContact O-N 3.03Å
90E96.4Very high95.8Very high158 Ų15866.7 Ų66.774%0.73835%0.349SS*.Hα-helixtrans-84.9-15.4177.1-63177.3172.700113.2D86 Y87 L88D86-E90 PolarHBondContact O-N 3.33Å; Y87-E90 PolarHBondContact O-N 2.89Å; Y87-E90 VanDerWaalsContact O-N 3.12Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 3.29Å
91L96.3Very high95.7Very high31 Ų3164.6 Ų64.616%0.16233%0.334CS..SBendtrans-83.2144.3-175.7-64.9171.5000111.9F72 Y87 L88 Q96 A99F72-L91 HydrophobicContact CE1-CD1 3.72Å; F72-L91 HydrophobicContact CE1-CD2 4.12Å; F72-L91 HydrophobicContact CZ-CD2 4.41Å; Y87-L91 HydrophobicContact CD1-CD1 4.39Å; Y87-L91 HydrophobicContact CE1-CD1 3.95Å; Y87-L91 HydrophobicContact CE2-CD2 3.95Å; Y87-L91 HydrophobicContact CE2-CG 4.31Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å; L88-L91 HydrophobicContact CD2-CD1 4.11Å; L88-L91 PolarHBondContact O-N 3.13Å; L91-Q96 HydrophobicContact CB-CG 3.9Å; L91-Q96 PolarHBondContact O-NE2 2.67Å; L91-A99 HydrophobicContact CD1-CB 3.88Å
92N94.6Very high95.7Very high104 Ų10459.2 Ų59.256%0.55630%0.299SS*.  trans-64.4167.2162.970.18.1000110.6Q94 G95 Q96N92-Q94 PolarHBondContact O-N 3.27Å; N92-Q94 VanDerWaalsContact O-N 3.14Å; N92-Q94 PolarHBondContact OD1-N 2.83Å; N92-G95 PolarHBondContact O-N 2.88Å; N92-G95 PolarHBondContact OD1-N 3.07Å; N92-Q96 WeakPolarHBondContact O-CG 3.13Å; N92-Q96 PolarHBondContact O-N 3.07Å
93E92.3Very high95.6Very high128 Ų12857.4 Ų57.460%0.59829%0.289SS*.Hα-helixtrans-58.9-34.1-173.9-58.7-173.4112.200113.3Q96 A97 L180 R184E93-Q96 WeakPolarHBondContact O-CB 3.33Å; E93-Q96 PolarHBondContact O-N 3.14Å; E93-A97 PolarHBondContact O-N 3.48Å; E93-L180 HydrophobicContact CB-CD1 4.32Å; E93-L180 HydrophobicContact CB-CD2 3.4Å; E93-L180 VanDerWaalsContact CB-CD2 3.4Å; E93-L180 HydrophobicContact CG-CD2 4.21Å; E93-L180 WeakPolarHBondContact OE2-CD2 3.38Å; E93-R184 PolarHBondContact O-NH2 2.89Å
94Q91.5Very high95.5Very high40 Ų4055.3 Ų55.319%0.18728%0.284CS..Hα-helixtrans-67-47175.5-173.1-167.613.700112N92 Q96 A97 Y98 D177 L180 L183N92-Q94 PolarHBondContact O-N 3.27Å; N92-Q94 VanDerWaalsContact O-N 3.14Å; N92-Q94 PolarHBondContact OD1-N 2.83Å; Q94-Q96 PolarHBondContact O-N 3.41Å; Q94-A97 WeakPolarHBondContact O-CB 3.48Å; Q94-A97 PolarHBondContact O-N 3.44Å; Q94-Y98 HydrophobicContact CG-CD2 4.22Å; Q94-Y98 HydrophobicContact CG-CE2 3.65Å; Q94-Y98 PolarHBondContact NE2-OH 3.19Å; Q94-Y98 PolarHBondContact O-N 2.87Å; Q94-D177 VanDerWaalsContact NE2-CB 3.3Å; Q94-D177 PolarHBondContact NE2-OD1 3.35Å; Q94-D177 PolarHBondContact NE2-OD2 3.48Å; Q94-L180 HydrophobicContact CB-CD1 4.45Å; Q94-L183 HydrophobicContact CG-CD2 4.21Å
95G94.3Very high95.4Very high5 Ų554.1 Ų54.15%0.05228%0.28CS..Hα-helixtrans-58-37.9174.700000111.4N92 Y98 A99N92-G95 PolarHBondContact O-N 2.88Å; N92-G95 PolarHBondContact OD1-N 3.07Å; G95-Y98 PolarHBondContact O-N 3.42Å; G95-A99 VanDerWaalsContact O-CB 3.25Å; G95-A99 WeakPolarHBondContact O-CB 3.34Å; G95-A99 PolarHBondContact O-N 3.32Å
96Q94.9Very high95.4Very high71 Ų7147.2 Ų47.233%0.33225%0.254SS..Hα-helixtrans-65.2-38.7173.3-66.5177.66.700112.6L88 L91 N92 E93 Q94 A99 Q100L88-Q96 PolarHBondContact O-NE2 3.4Å; L91-Q96 HydrophobicContact CB-CG 3.9Å; L91-Q96 PolarHBondContact O-NE2 2.67Å; N92-Q96 WeakPolarHBondContact O-CG 3.13Å; N92-Q96 PolarHBondContact O-N 3.07Å; E93-Q96 WeakPolarHBondContact O-CB 3.33Å; E93-Q96 PolarHBondContact O-N 3.14Å; Q94-Q96 PolarHBondContact O-N 3.41Å; Q96-A99 PolarHBondContact O-N 3.29Å; Q96-Q100 WeakPolarHBondContact O-CB 3.4Å; Q96-Q100 PolarHBondContact O-N 3.06Å
97A93.3Very high95.2Very high3 Ų349.9 Ų49.93%0.02526%0.263CS..Hα-helixtrans-62.1-45175.200000111.4E93 Q94 Q100 F101 L180 L183 R184E93-A97 PolarHBondContact O-N 3.48Å; Q94-A97 WeakPolarHBondContact O-CB 3.48Å; Q94-A97 PolarHBondContact O-N 3.44Å; A97-Q100 PolarHBondContact O-N 3.47Å; A97-F101 PolarHBondContact O-N 2.74Å; A97-L180 HydrophobicContact CB-CD1 4.19Å; A97-L183 HydrophobicContact CB-CD2 4.42Å; A97-R184 HydrophobicContact CB-CG 3.72Å
98Y95.3Very high95.1Very high6 Ų652 Ų522%0.02428%0.281CS..Hα-helixtrans-67.2-39.8175.3-64.7-38.5000113L69 Q94 G95 Q100 F101 V102 Y171 D177 L183 L187L69-Y98 HydrophobicContact CD2-CD1 4.21Å; L69-Y98 HydrophobicContact CD2-CD2 4.39Å; L69-Y98 HydrophobicContact CD2-CG 3.9Å; Q94-Y98 HydrophobicContact CG-CD2 4.22Å; Q94-Y98 HydrophobicContact CG-CE2 3.65Å; Q94-Y98 PolarHBondContact NE2-OH 3.19Å; Q94-Y98 PolarHBondContact O-N 2.87Å; G95-Y98 PolarHBondContact O-N 3.42Å; Y98-Q100 VanDerWaalsContact C-N 3.32Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Y98-F101 WeakPolarHBondContact O-CB 3.42Å; Y98-F101 PolarHBondContact O-N 2.75Å; Y98-V102 WeakPolarHBondContact O-CB 3.39Å; Y98-V102 WeakPolarHBondContact O-CG2 3.35Å; Y98-V102 PolarHBondContact O-N 3.49Å; Y98-Y171 HydrophobicContact CD1-CD2 4.36Å; Y98-Y171 AromaticContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CE1-CD2 4.14Å; Y98-Y171 AromaticContact CE1-CE2 3.59Å; Y98-Y171 HydrophobicContact CE1-CE2 3.59Å; Y98-D177 PolarHBondContact OH-OD1 2.96Å; Y98-L183 HydrophobicContact CE1-CD1 4.24Å; Y98-L183 HydrophobicContact CE1-CD2 4.08Å; Y98-L187 HydrophobicContact CD1-CD1 3.96Å; Y98-L187 HydrophobicContact CE1-CD1 4.2Å
99A96.2Very high95Very high0 Ų049.6 Ų49.60%027%0.268CS..Hα-helixtrans-64.1-39176.400000111.4F72 W84 L88 L91 G95 Q96 V102 A103F72-A99 HydrophobicContact CD1-CB 3.76Å; F72-A99 HydrophobicContact CE1-CB 3.89Å; W84-A99 HydrophobicContact CH2-CB 4.02Å; W84-A99 HydrophobicContact CZ2-CB 3.78Å; L88-A99 HydrophobicContact CD2-CB 3.31Å; L91-A99 HydrophobicContact CD1-CB 3.88Å; G95-A99 VanDerWaalsContact O-CB 3.25Å; G95-A99 WeakPolarHBondContact O-CB 3.34Å; G95-A99 PolarHBondContact O-N 3.32Å; Q96-A99 PolarHBondContact O-N 3.29Å; A99-V102 PolarHBondContact O-N 2.98Å; A99-A103 VanDerWaalsContact O-CB 3.32Å; A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 2.87Å
100Q94.7Very high94.8Very high119 Ų11946 Ų4656%0.55624%0.24SC*.Hα-helixtrans-65.3-42.9173.8-174.8176.213.500111.8Q96 A97 Y98 A103 S104Q96-Q100 WeakPolarHBondContact O-CB 3.4Å; Q96-Q100 PolarHBondContact O-N 3.06Å; A97-Q100 PolarHBondContact O-N 3.47Å; Y98-Q100 VanDerWaalsContact C-N 3.32Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Q100-A103 PolarHBondContact O-N 3.16Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.4Å; Q100-S104 PolarHBondContact O-N 3.1Å; Q100-S104 VanDerWaalsContact O-N 3.11Å; Q100-S104 PolarHBondContact O-OG 3.2Å
101F95.8Very high94.6Very high5 Ų543.1 Ų43.12%0.02223%0.226CC..Hα-helixtrans-56.3-53.2173.4176.7-110.4000110.7L69 A97 Y98 A103 S104 T105 F167 L187L69-F101 HydrophobicContact CD1-CD1 3.92Å; L69-F101 HydrophobicContact CD1-CE1 4.02Å; A97-F101 PolarHBondContact O-N 2.74Å; Y98-F101 WeakPolarHBondContact O-CB 3.42Å; Y98-F101 PolarHBondContact O-N 2.75Å; F101-A103 PolarHBondContact O-N 3.24Å; F101-S104 CarbonylContact O-C 3.55Å; F101-S104 WeakPolarHBondContact O-CA 3.43Å; F101-S104 PolarHBondContact O-N 3.26Å; F101-S104 PolarHBondContact O-OG 3.4Å; F101-T105 HydrophobicContact CD2-CG2 4.14Å; F101-T105 HydrophobicContact CE2-CG2 3.83Å; F101-T105 HydrophobicContact CZ-CG2 4.08Å; F101-T105 WeakPolarHBondContact O-CG2 3.49Å; F101-T105 PolarHBondContact O-N 3.32Å; F101-T105 VanDerWaalsContact O-N 3.15Å; F101-T105 PolarHBondContact O-OG1 2.92Å; F101-T105 VanDerWaalsContact O-OG1 3.09Å; F101-F167 HydrophobicContact CE2-CD1 4.34Å; F101-F167 HydrophobicContact CZ-CB 3.91Å; F101-F167 HydrophobicContact CZ-CD1 4.29Å; F101-F167 WeakPolarHBondContact CZ-O 3.06Å; F101-L187 HydrophobicContact CB-CB 4.28Å; F101-L187 HydrophobicContact CB-CD1 4.06Å; F101-L187 HydrophobicContact CD1-CD2 4.48Å; F101-L187 HydrophobicContact CD2-CB 3.83Å; F101-L187 HydrophobicContact CD2-CD2 3.86Å; F101-L187 HydrophobicContact CD2-CG 4.3Å; F101-L187 HydrophobicContact CE2-CD2 3.99Å; F101-L187 HydrophobicContact CG-CB 4.29Å; F101-L187 HydrophobicContact CG-CD1 4.3Å; F101-L187 HydrophobicContact CG-CD2 4.1Å; F101-L187 HydrophobicContact CG-CG 4.47Å; F101-L187 HydrophobicContact CZ-CD2 4.35Å
102V96.9Very high94.4Very high0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-56.3-50178.3167.20000112.2L69 F72 Y73 W76 Y98 A99 S104 T105 A106L69-V102 HydrophobicContact CB-CG2 4.45Å; L69-V102 HydrophobicContact CD1-CG2 4.29Å; F72-V102 HydrophobicContact CB-CB 4.1Å; F72-V102 HydrophobicContact CB-CG1 3.93Å; F72-V102 HydrophobicContact CB-CG2 3.65Å; F72-V102 HydrophobicContact CG-CG2 4.41Å; Y73-V102 HydrophobicContact CD1-CG1 3.82Å; Y73-V102 HydrophobicContact CD2-CG1 4.22Å; Y73-V102 HydrophobicContact CD2-CG2 4Å; Y73-V102 HydrophobicContact CE1-CG1 4.03Å; Y73-V102 HydrophobicContact CE2-CG1 4.42Å; Y73-V102 HydrophobicContact CE2-CG2 3.76Å; Y73-V102 HydrophobicContact CG-CG1 3.92Å; W76-V102 HydrophobicContact CB-CG1 4.3Å; Y98-V102 WeakPolarHBondContact O-CB 3.39Å; Y98-V102 WeakPolarHBondContact O-CG2 3.35Å; Y98-V102 PolarHBondContact O-N 3.49Å; A99-V102 PolarHBondContact O-N 2.98Å; V102-S104 PolarHBondContact O-N 3Å; V102-S104 VanDerWaalsContact O-N 3.15Å; V102-T105 PolarHBondContact O-N 2.9Å; V102-T105 VanDerWaalsContact O-N 3.16Å; V102-T105 PolarHBondContact O-OG1 2.94Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.39Å
103A95.8Very high94.5Very high26 Ų2636.9 Ų36.922%0.21519%0.194CC..Hα-helixtrans-55.8-34177.700000112W76 W84 A99 Q100 F101W76-A103 HydrophobicContact CD2-CB 4.37Å; W76-A103 HydrophobicContact CE3-CB 3.71Å; W76-A103 HydrophobicContact CH2-CB 3.54Å; W76-A103 HydrophobicContact CZ2-CB 4.21Å; W76-A103 HydrophobicContact CZ3-CB 3.26Å; W84-A103 HydrophobicContact CZ2-CB 4.34Å; A99-A103 VanDerWaalsContact O-CB 3.32Å; A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 2.87Å; Q100-A103 PolarHBondContact O-N 3.16Å; F101-A103 PolarHBondContact O-N 3.24Å
104S94.9Very high94.8Very high51 Ų5130.9 Ų30.936%0.35717%0.166SC..THydrogen-bonded Turntrans-89.8-5.1-175.284.40000114.8Q100 F101 V102 K190Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.4Å; Q100-S104 PolarHBondContact O-N 3.1Å; Q100-S104 VanDerWaalsContact O-N 3.11Å; Q100-S104 PolarHBondContact O-OG 3.2Å; F101-S104 CarbonylContact O-C 3.55Å; F101-S104 WeakPolarHBondContact O-CA 3.43Å; F101-S104 PolarHBondContact O-N 3.26Å; F101-S104 PolarHBondContact O-OG 3.4Å; V102-S104 PolarHBondContact O-N 3Å; V102-S104 VanDerWaalsContact O-N 3.15Å; S104-K190 PolarHBondContact O-NZ 2.93Å; S104-K190 VanDerWaalsContact O-NZ 3.09Å; S104-K190 WeakPolarHBondContact OG-CE 3.2Å; S104-K190 PolarHBondContact OG-NZ 3.45Å
105T96.2Very high95Very high0 Ų030.8 Ų30.80%017%0.165CC..THydrogen-bonded Turntrans-123.8-16.5-179.457.20000113.1Y73 F101 V102 E107 C108 C109 F167Y73-T105 PolarHBondContact OH-OG1 3.16Å; F101-T105 HydrophobicContact CD2-CG2 4.14Å; F101-T105 HydrophobicContact CE2-CG2 3.83Å; F101-T105 HydrophobicContact CZ-CG2 4.08Å; F101-T105 WeakPolarHBondContact O-CG2 3.49Å; F101-T105 PolarHBondContact O-N 3.32Å; F101-T105 VanDerWaalsContact O-N 3.15Å; F101-T105 PolarHBondContact O-OG1 2.92Å; F101-T105 VanDerWaalsContact O-OG1 3.09Å; V102-T105 PolarHBondContact O-N 2.9Å; V102-T105 VanDerWaalsContact O-N 3.16Å; V102-T105 PolarHBondContact O-OG1 2.94Å; T105-E107 VanDerWaalsContact C-N 3.34Å; T105-E107 PolarHBondContact O-N 3.33Å; T105-C108 WeakPolarHBondContact O-CB 3.46Å; T105-C108 PolarHBondContact O-N 2.63Å; T105-C109 PolarHBondContact O-N 3.06Å; T105-C109 PolarHBondContact O-SG 2.85Å; T105-C109 VanDerWaalsContact O-SG 3.41Å; T105-F167 HydrophobicContact CG2-CB 4.34Å; T105-F167 HydrophobicContact CG2-CD1 3.53Å; T105-F167 HydrophobicContact CG2-CD2 4.08Å; T105-F167 HydrophobicContact CG2-CE1 3.74Å; T105-F167 HydrophobicContact CG2-CE2 4.25Å; T105-F167 HydrophobicContact CG2-CG 3.71Å; T105-F167 HydrophobicContact CG2-CZ 4.08Å
106A96.1Very high95.2Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-53.9-44.5-175.100000113.8Y73 W76 F77 V102 C108 C109 G110Y73-A106 HydrophobicContact CD1-CB 4.26Å; Y73-A106 HydrophobicContact CE1-CB 4.2Å; W76-A106 HydrophobicContact CD2-CB 4.44Å; W76-A106 HydrophobicContact CG-CB 3.94Å; W76-A106 VanDerWaalsContact NE1-CB 3.28Å; F77-A106 HydrophobicContact CE2-CB 3.89Å; F77-A106 HydrophobicContact CZ-CB 3.92Å; F77-A106 WeakPolarHBondContact CZ-O 3.48Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.39Å; A106-C108 PolarHBondContact O-N 3.21Å; A106-C109 PolarHBondContact O-N 3.4Å; A106-G110 WeakPolarHBondContact O-CA 3.25Å; A106-G110 PolarHBondContact O-N 2.84Å
107E93.8Very high95.3Very high146 Ų14627.4 Ų27.468%0.68215%0.147SC*.Hα-helixtrans-61.8-32.2179-62.4-54.9137.700112.8T105T105-E107 VanDerWaalsContact C-N 3.34Å; T105-E107 PolarHBondContact O-N 3.33Å
108C94.5Very high95.5Very high67 Ų6727.5 Ų27.545%0.45315%0.147SC..Hα-helixtrans-78.8-36.3177.3-58.90000112.4T105 A106 Q160 A163 F167T105-C108 WeakPolarHBondContact O-CB 3.46Å; T105-C108 PolarHBondContact O-N 2.63Å; A106-C108 PolarHBondContact O-N 3.21Å; C108-Q160 VanDerWaalsContact O-CG 3.29Å; C108-Q160 WeakPolarHBondContact O-CG 3.34Å; C108-A163 HydrophobicContact CB-CB 4.15Å; C108-A163 WeakPolarHBondContact O-CB 3.08Å; C108-F167 HydrophobicContact CB-CE2 3.77Å
109C94.1Very high95.6Very high0 Ų027.5 Ų27.50%015%0.147CC..Hα-helixtrans-91.7-23.1-174.3-61.30000114.4Y73 T105 A106 Y155 Q160 F167Y73-C109 HydrophobicContact CE1-CB 4.24Å; T105-C109 PolarHBondContact O-N 3.06Å; T105-C109 PolarHBondContact O-SG 2.85Å; T105-C109 VanDerWaalsContact O-SG 3.41Å; A106-C109 PolarHBondContact O-N 3.4Å; C109-Y155 WeakPolarHBondContact O-CD1 3.34Å; C109-Y155 WeakPolarHBondContact O-CE1 3.35Å; C109-Q160 VanDerWaalsContact C-CG 3.47Å; C109-Q160 WeakPolarHBondContact O-CG 3.41Å; C109-F167 WeakPolarHBondContact SG-CD2 3.31Å
110G92.7Very high95.7Very high7 Ų727.5 Ų27.57%0.07215%0.147CC..  trans67.9-171.6-166.400000114.4F77 A106 G112 G113F77-G110 WeakPolarHBondContact CE2-O 3.49Å; F77-G110 VanDerWaalsContact CZ-C 3.48Å; A106-G110 WeakPolarHBondContact O-CA 3.25Å; A106-G110 PolarHBondContact O-N 2.84Å; G110-G112 PolarHBondContact O-N 3.3Å; G110-G112 VanDerWaalsContact O-N 3.14Å; G110-G113 PolarHBondContact O-N 3.46Å
111E92.1Very high95.8Very high97 Ų9723.3 Ų23.345%0.45313%0.126SC..THydrogen-bonded Turntrans-59.1-25.4179.8-75.8-164.6-139.500113.4F77 R78 G113F77-E111 HydrophobicContact CB-CG 3.86Å; F77-E111 HydrophobicContact CD1-CG 4.09Å; F77-E111 HydrophobicContact CD2-CB 4.25Å; F77-E111 HydrophobicContact CD2-CG 3.65Å; F77-E111 HydrophobicContact CE2-CG 4.2Å; F77-E111 HydrophobicContact CG-CG 3.59Å; R78-E111 IonicContact CZ-OE2 3.99Å; R78-E111 IonicContact NH1-OE2 3.44Å; R78-E111 PolarHBondContact NH1-OE2 2.93Å; R78-E111 IonicContact NH2-OE2 2.64Å; R78-E111 PolarHBondContact NH2-OE2 2.84Å; E111-G113 PolarHBondContact O-N 3.41Å
112G93.3Very high95.9Very high4 Ų423 Ų234%0.04113%0.125CC..THydrogen-bonded Turntrans-61.1-25.3172.500000114.3G110 I114 K115 Y154 Y155G110-G112 PolarHBondContact O-N 3.3Å; G110-G112 VanDerWaalsContact O-N 3.14Å; G112-I114 PolarHBondContact O-N 3.33Å; G112-K115 WeakPolarHBondContact O-CB 3.27Å; G112-K115 VanDerWaalsContact O-CG 3.23Å; G112-K115 WeakPolarHBondContact O-CG 3.18Å; G112-K115 PolarHBondContact O-N 2.86Å; G112-K115 VanDerWaalsContact O-N 3.17Å; G112-Y154 PolarHBondContact N-O 3.24Å; G112-Y155 PolarHBondContact O-OH 3.43Å
113G96.5Very high95.9Very high0 Ų023 Ų230%013%0.125CC..THydrogen-bonded Turntrans51.7-128.8-173.700000111Y73 G110 E111 K115 Y155 G164Y73-G113 VanDerWaalsContact CD1-CA 3.46Å; Y73-G113 VanDerWaalsContact CE1-CA 3.44Å; G110-G113 PolarHBondContact O-N 3.46Å; E111-G113 PolarHBondContact O-N 3.41Å; G113-K115 PolarHBondContact O-N 3.25Å; G113-Y155 PolarHBondContact O-OH 3.32Å; G113-G164 VanDerWaalsContact O-CA 3.31Å; G113-G164 WeakPolarHBondContact O-CA 3.46Å
114I97Very high95.9Very high2 Ų221.9 Ų21.91%0.0112%0.116CC..THydrogen-bonded Turntrans-91.112.9-176.862.8158.8000114.9A66 L69 Y73 G112 A116 W117 G164 F167 G168 Y171A66-I114 HydrophobicContact CB-CD1 4.28Å; A66-I114 HydrophobicContact CB-CG1 3.82Å; L69-I114 HydrophobicContact CB-CD1 4.22Å; L69-I114 HydrophobicContact CB-CG1 4.3Å; L69-I114 HydrophobicContact CD1-CD1 3.76Å; L69-I114 HydrophobicContact CD1-CG1 4.35Å; L69-I114 HydrophobicContact CG-CD1 4.11Å; Y73-I114 HydrophobicContact CE2-CG1 4.31Å; Y73-I114 HydrophobicContact CE2-CG2 4.07Å; G112-I114 PolarHBondContact O-N 3.33Å; I114-A116 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact O-N 3.13Å; I114-W117 VanDerWaalsContact O-CB 3.26Å; I114-W117 WeakPolarHBondContact O-CB 3.35Å; I114-W117 PolarHBondContact O-N 3.45Å; I114-G164 WeakPolarHBondContact CA-O 3.41Å; I114-F167 HydrophobicContact CG2-CB 4.01Å; I114-G168 VanDerWaalsContact CG2-N 3.34Å; I114-Y171 HydrophobicContact CD1-CD1 3.54Å; I114-Y171 HydrophobicContact CD1-CE1 4.17Å; I114-Y171 HydrophobicContact CD1-CG 4.03Å
115K97.3Very high96.1Very high38 Ų3819.5 Ų19.517%0.16510%0.099CC..Hα-helixtrans-54-32.9179-75.1175.1178.1-67.30113.8A66 G112 G113 W117 D118 Y119 Y154 Y155A66-K115 HydrophobicContact CB-CB 4.46Å; A66-K115 HydrophobicContact CB-CG 4.13Å; G112-K115 WeakPolarHBondContact O-CB 3.27Å; G112-K115 VanDerWaalsContact O-CG 3.23Å; G112-K115 WeakPolarHBondContact O-CG 3.18Å; G112-K115 PolarHBondContact O-N 2.86Å; G112-K115 VanDerWaalsContact O-N 3.17Å; G113-K115 PolarHBondContact O-N 3.25Å; K115-W117 PolarHBondContact O-N 2.98Å; K115-W117 VanDerWaalsContact O-N 3.16Å; K115-D118 PolarHBondContact O-N 3.38Å; K115-Y119 HydrophobicContact CB-CD2 4.35Å; K115-Y119 HydrophobicContact CB-CE2 3.77Å; K115-Y119 PolarHBondContact O-N 2.87Å; K115-Y119 VanDerWaalsContact O-N 3.1Å; K115-Y154 HydrophobicContact CD-CD1 4.21Å; K115-Y154 HydrophobicContact CD-CD2 3.72Å; K115-Y154 HydrophobicContact CD-CE1 4.17Å; K115-Y154 HydrophobicContact CD-CE2 3.67Å; K115-Y154 HydrophobicContact CD-CG 4.01Å; K115-Y155 HydrophobicContact CB-CE2 4.43Å; K115-Y155 PolarHBondContact N-OH 3.44Å; K115-Y155 VanDerWaalsContact N-OH 3.09Å
116A97.4Very high96.2Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-58.5-25.5176.900000113.3I114 D118 Y119 V120 Y155 Y161I114-A116 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact O-N 3.13Å; A116-D118 PolarHBondContact O-N 2.81Å; A116-Y119 PolarHBondContact O-N 3.36Å; A116-V120 WeakPolarHBondContact O-CB 3.45Å; A116-V120 WeakPolarHBondContact O-CG2 3.43Å; A116-V120 PolarHBondContact O-N 3.26Å; A116-Y155 HydrophobicContact CB-CE1 4.41Å; A116-Y155 HydrophobicContact CB-CE2 3.86Å; A116-Y155 PolarHBondContact N-OH 3.13Å; A116-Y161 HydrophobicContact CB-CD2 3.7Å; A116-Y161 HydrophobicContact CB-CE2 3.69Å; A116-Y161 HydrophobicContact CB-CG 4.17Å; A116-Y161 WeakPolarHBondContact CB-O 3.45Å
117W96.5Very high96.3Very high4 Ų419.5 Ų19.52%0.01510%0.099CC..Hα-helixtrans-58.6-45.6171.1168.4-108.8000112.7H65 I114 K115 R121 Y165 R169 W172H65-W117 AromaticContact CD2-NE1 3.47Å; H65-W117 PolarHBondContact CD2-NE1 3.46Å; I114-W117 VanDerWaalsContact O-CB 3.26Å; I114-W117 WeakPolarHBondContact O-CB 3.35Å; I114-W117 PolarHBondContact O-N 3.45Å; K115-W117 PolarHBondContact O-N 2.98Å; K115-W117 VanDerWaalsContact O-N 3.16Å; W117-R121 WeakPolarHBondContact O-CD 3.3Å; W117-R121 VanDerWaalsContact O-CG 3.27Å; W117-R121 WeakPolarHBondContact O-CG 3.4Å; W117-R121 PolarHBondContact O-N 2.88Å; W117-Y165 AromaticContact CE3-CD2 3.82Å; W117-Y165 HydrophobicContact CE3-CD2 3.82Å; W117-Y165 AromaticContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CZ3-CD2 4.39Å; W117-Y165 AromaticContact CZ3-CE2 3.68Å; W117-Y165 HydrophobicContact CZ3-CE2 3.68Å; W117-R169 HydrophobicContact CE3-CB 3.67Å; W117-R169 HydrophobicContact CE3-CG 4.29Å; W117-R169 HydrophobicContact CH2-CB 4.29Å; W117-R169 HydrophobicContact CH2-CG 4.07Å; W117-R169 HydrophobicContact CZ3-CB 3.5Å; W117-R169 HydrophobicContact CZ3-CG 3.6Å; W117-W172 AromaticContact CE2-CG 3.97Å; W117-W172 HydrophobicContact CH2-CB 4.42Å; W117-W172 AromaticContact CH2-CD2 3.91Å; W117-W172 HydrophobicContact CH2-CD2 3.91Å; W117-W172 AromaticContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CG 4.23Å; W117-W172 HydrophobicContact CH2-CZ3 4.36Å; W117-W172 HydrophobicContact CZ2-CB 3.67Å; W117-W172 AromaticContact CZ2-CD2 3.48Å; W117-W172 HydrophobicContact CZ2-CD2 3.48Å; W117-W172 VanDerWaalsContact CZ2-CD2 3.48Å; W117-W172 AromaticContact CZ2-CE3 3.77Å; W117-W172 HydrophobicContact CZ2-CE3 3.77Å; W117-W172 AromaticContact CZ2-CG 3.41Å; W117-W172 HydrophobicContact CZ2-CG 3.41Å; W117-W172 VanDerWaalsContact CZ2-CG 3.41Å
118D97.6Very high96.4Very high6 Ų612.5 Ų12.53%0.0327%0.066CC..Hα-helixtrans-74.1-38.9177.9-62.7-49.1000110.7M60 G64 H65 A66 K115 A116 R121 M122M60-D118 HydrophobicContact CE-CB 3.99Å; G64-D118 WeakPolarHBondContact CA-OD2 3.22Å; H65-D118 PolarHBondContact N-OD1 2.91Å; H65-D118 PolarHBondContact N-OD2 3.36Å; H65-D118 VanDerWaalsContact N-OD2 3.11Å; A66-D118 WeakPolarHBondContact CB-OD2 3.09Å; A66-D118 PolarHBondContact N-OD2 2.9Å; K115-D118 PolarHBondContact O-N 3.38Å; A116-D118 PolarHBondContact O-N 2.81Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.45Å; D118-M122 VanDerWaalsContact O-CG 3.24Å; D118-M122 WeakPolarHBondContact O-CG 3.25Å; D118-M122 PolarHBondContact O-N 2.85Å
119Y97.9Very high96.6Very high6 Ų69.3 Ų9.32%0.0245%0.045CC..Hα-helixtrans-62.4-45.2179.3-62.8-19.5000113.6I61 K115 A116 R121 M122 G123 I147 R150 A151 Y154 Y155 Y161I61-Y119 HydrophobicContact CD1-CE1 4.17Å; K115-Y119 HydrophobicContact CB-CD2 4.35Å; K115-Y119 HydrophobicContact CB-CE2 3.77Å; K115-Y119 PolarHBondContact O-N 2.87Å; K115-Y119 VanDerWaalsContact O-N 3.1Å; A116-Y119 PolarHBondContact O-N 3.36Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.49Å; Y119-M122 HydrophobicContact CD1-SD 4.16Å; Y119-M122 PolarHBondContact O-N 3.2Å; Y119-G123 PolarHBondContact O-N 3.03Å; Y119-I147 HydrophobicContact CD1-CG2 4.24Å; Y119-I147 HydrophobicContact CG-CG2 3.96Å; Y119-R150 HydrophobicContact CE1-CB 4.42Å; Y119-R150 HydrophobicContact CE2-CB 4.29Å; Y119-A151 HydrophobicContact CD2-CB 4.34Å; Y119-Y154 HydrophobicContact CE2-CD2 4.3Å; Y119-Y154 WeakPolarHBondContact OH-CE2 3.49Å; Y119-Y155 HydrophobicContact CD2-CE2 4.3Å; Y119-Y155 HydrophobicContact CE2-CE2 4.22Å; Y119-Y161 WeakPolarHBondContact CB-OH 3.35Å; Y119-Y161 HydrophobicContact CD2-CE2 4.17Å
120V97.4Very high96.8Very high0 Ų09.8 Ų9.80%05%0.047CC..Hα-helixtrans-58.4-44.8175.8168.30000110.2L12 P15 M16 A116 G123 F124 Y161 Y165L12-V120 WeakPolarHBondContact O-CA 3.46Å; L12-V120 WeakPolarHBondContact O-CG2 3.5Å; P15-V120 HydrophobicContact CB-CG1 4.11Å; P15-V120 HydrophobicContact CG-CG1 4.17Å; P15-V120 HydrophobicContact CG-CG2 4.12Å; M16-V120 HydrophobicContact CB-CG1 4.37Å; M16-V120 HydrophobicContact CG-CG1 3.73Å; M16-V120 HydrophobicContact SD-CG1 4.16Å; A116-V120 WeakPolarHBondContact O-CB 3.45Å; A116-V120 WeakPolarHBondContact O-CG2 3.43Å; A116-V120 PolarHBondContact O-N 3.26Å; V120-G123 PolarHBondContact O-N 3.22Å; V120-F124 PolarHBondContact O-N 2.98Å; V120-Y161 HydrophobicContact CG2-CE1 3.75Å; V120-Y165 HydrophobicContact CB-CD2 3.65Å; V120-Y165 HydrophobicContact CB-CE2 4.01Å; V120-Y165 HydrophobicContact CG1-CD2 3.75Å; V120-Y165 HydrophobicContact CG1-CE2 3.62Å; V120-Y165 HydrophobicContact CG2-CD2 3.55Å; V120-Y165 HydrophobicContact CG2-CE2 4.3Å; V120-Y165 HydrophobicContact CG2-CG 4Å
121R97Very high97.1Very high30 Ų309.5 Ų9.511%0.1134%0.044CC..Hα-helixtrans-66.2-40.5179.5-74.9175.270.1-1635.1112.9M16 W45 M60 H65 W117 D118 Y119 G123 F124 L125M16-R121 HydrophobicContact SD-CB 4.2Å; M16-R121 HydrophobicContact SD-CG 3.63Å; W45-R121 HydrophobicContact CH2-CB 3.86Å; W45-R121 HydrophobicContact CH2-CG 3.88Å; W45-R121 HydrophobicContact CZ3-CB 4.45Å; M60-R121 HydrophobicContact CE-CB 3.52Å; M60-R121 HydrophobicContact CE-CG 4.4Å; H65-R121 PolarHBondContact CD2-NH1 3.4Å; H65-R121 VanDerWaalsContact CD2-NH1 3.34Å; H65-R121 PolarHBondContact NE2-NH1 2.65Å; W117-R121 WeakPolarHBondContact O-CD 3.3Å; W117-R121 VanDerWaalsContact O-CG 3.27Å; W117-R121 WeakPolarHBondContact O-CG 3.4Å; W117-R121 PolarHBondContact O-N 2.88Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.45Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.49Å; R121-G123 VanDerWaalsContact C-N 3.35Å; R121-F124 WeakPolarHBondContact O-CB 3.39Å; R121-F124 PolarHBondContact O-N 2.91Å; R121-L125 WeakPolarHBondContact O-CG 3.27Å; R121-L125 PolarHBondContact O-N 3.38Å
122M97.7Very high97.3Very high0 Ų05.3 Ų5.30%03%0.025CC..Hα-helixtrans-63.1-41.9173.9-69.6168.469.600111.5I57 M60 I61 D118 Y119 L125 S126 I147 L235I57-M122 HydrophobicContact CG2-CE 3.88Å; M60-M122 HydrophobicContact CB-CG 3.77Å; M60-M122 HydrophobicContact CB-SD 4.1Å; M60-M122 HydrophobicContact CE-CG 4.42Å; I61-M122 HydrophobicContact CB-CE 4.28Å; I61-M122 HydrophobicContact CD1-CE 3.78Å; I61-M122 HydrophobicContact CD1-SD 4.19Å; D118-M122 VanDerWaalsContact O-CG 3.24Å; D118-M122 WeakPolarHBondContact O-CG 3.25Å; D118-M122 PolarHBondContact O-N 2.85Å; Y119-M122 HydrophobicContact CD1-SD 4.16Å; Y119-M122 PolarHBondContact O-N 3.2Å; M122-L125 PolarHBondContact O-N 3.1Å; M122-S126 WeakPolarHBondContact O-CB 3.17Å; M122-S126 PolarHBondContact O-N 2.85Å; M122-S126 PolarHBondContact O-OG 3.44Å; M122-I147 HydrophobicContact CB-CD1 3.45Å; M122-I147 VanDerWaalsContact CB-CD1 3.45Å; M122-I147 HydrophobicContact CB-CG1 4.26Å; M122-I147 HydrophobicContact CE-CD1 4.07Å; M122-I147 HydrophobicContact CE-CG1 3.79Å; M122-I147 HydrophobicContact SD-CG1 4.43Å; M122-L235 HydrophobicContact CE-CD1 4.44Å; M122-L235 HydrophobicContact CE-CD2 4.43Å
123G97.5Very high97.5Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-64.6-40.6175.200000112.2S13 Y119 V120 R121 S126 R127S13-G123 VanDerWaalsContact CB-C 3.49Å; Y119-G123 PolarHBondContact O-N 3.03Å; V120-G123 PolarHBondContact O-N 3.22Å; R121-G123 VanDerWaalsContact C-N 3.35Å; G123-S126 WeakPolarHBondContact O-CB 3.2Å; G123-S126 PolarHBondContact O-N 2.88Å; G123-R127 WeakPolarHBondContact O-CG 3.43Å; G123-R127 PolarHBondContact O-N 2.85Å; G123-R127 VanDerWaalsContact O-N 3.1Å
124F97.1Very high97.6Very high2 Ų213.4 Ų13.41%0.0096%0.063CC..Hα-helixtrans-57-52.8171.6166-94.9000111.6M16 M32 Y33 F39 L41 W45 V120 R121 S126 R127 M128M16-F124 HydrophobicContact CB-CB 4Å; M16-F124 HydrophobicContact CB-CD2 3.79Å; M16-F124 HydrophobicContact CB-CG 4.11Å; M16-F124 HydrophobicContact CE-CB 3.86Å; M16-F124 HydrophobicContact CE-CD1 3.34Å; M16-F124 HydrophobicContact CE-CD2 3.63Å; M16-F124 HydrophobicContact CE-CE1 3.71Å; M16-F124 HydrophobicContact CE-CE2 3.98Å; M16-F124 HydrophobicContact CE-CG 3.3Å; M16-F124 HydrophobicContact CE-CZ 4.02Å; M16-F124 HydrophobicContact CG-CB 4.34Å; M16-F124 HydrophobicContact SD-CB 3.46Å; M16-F124 WeakPolarHBondContact SD-CB 3.43Å; M16-F124 HydrophobicContact SD-CD1 4.07Å; M16-F124 HydrophobicContact SD-CD2 4.23Å; M16-F124 HydrophobicContact SD-CG 3.66Å; M32-F124 HydrophobicContact CE-CB 4.18Å; M32-F124 HydrophobicContact CE-CD2 3.82Å; M32-F124 HydrophobicContact CE-CG 4.47Å; M32-F124 HydrophobicContact SD-CD2 3.6Å; M32-F124 VanDerWaalsContact SD-CD2 3.6Å; M32-F124 HydrophobicContact SD-CE2 4.05Å; Y33-F124 HydrophobicContact CE2-CE2 4.33Å; F39-F124 HydrophobicContact CD1-CZ 4.36Å; F39-F124 AromaticContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CZ-CE2 4.46Å; F39-F124 AromaticContact CZ-CZ 3.94Å; F39-F124 HydrophobicContact CZ-CZ 3.94Å; L41-F124 HydrophobicContact CD2-CE1 3.98Å; L41-F124 HydrophobicContact CD2-CZ 4.39Å; W45-F124 HydrophobicContact CH2-CD1 4.47Å; W45-F124 AromaticContact CZ2-CD1 4Å; W45-F124 HydrophobicContact CZ2-CD1 4Å; W45-F124 AromaticContact CZ2-CE1 3.95Å; W45-F124 HydrophobicContact CZ2-CE1 3.95Å; W45-F124 AromaticContact NE1-CE1 3.96Å; V120-F124 PolarHBondContact O-N 2.98Å; R121-F124 WeakPolarHBondContact O-CB 3.39Å; R121-F124 PolarHBondContact O-N 2.91Å; F124-S126 VanDerWaalsContact C-N 3.26Å; F124-S126 PolarHBondContact O-N 3.04Å; F124-R127 PolarHBondContact O-N 3.19Å; F124-M128 HydrophobicContact CD1-CG 4.11Å; F124-M128 HydrophobicContact CD2-CE 4.43Å; F124-M128 HydrophobicContact CD2-CG 4.11Å; F124-M128 HydrophobicContact CE1-CG 3.65Å; F124-M128 HydrophobicContact CE2-CE 4.11Å; F124-M128 HydrophobicContact CE2-CG 3.64Å; F124-M128 HydrophobicContact CE2-SD 3.79Å; F124-M128 HydrophobicContact CG-CG 4.32Å; F124-M128 HydrophobicContact CZ-CG 3.39Å; F124-M128 HydrophobicContact CZ-SD 3.87Å; F124-M128 WeakPolarHBondContact O-CG 3.28Å; F124-M128 PolarHBondContact O-N 2.71Å
125L98Very high97.7Very high0 Ų013.7 Ų13.70%07%0.065CC..Hα-helixtrans-59.4-39.3179-71.6177000111.7L41 W45 I47 L53 T56 I57 M60 R121 M122 R127 M128 G129L41-L125 HydrophobicContact CD1-CD2 4.12Å; L41-L125 HydrophobicContact CD2-CD2 4.07Å; W45-L125 HydrophobicContact CD2-CD2 3.97Å; W45-L125 HydrophobicContact CE3-CD1 3.99Å; W45-L125 HydrophobicContact CE3-CD2 3.98Å; W45-L125 HydrophobicContact CE3-CG 4.35Å; W45-L125 HydrophobicContact CG-CD2 4.4Å; W45-L125 HydrophobicContact CH2-CD1 4.42Å; W45-L125 HydrophobicContact CH2-CD2 4.42Å; W45-L125 HydrophobicContact CH2-CG 4.33Å; W45-L125 HydrophobicContact CZ3-CD1 3.76Å; W45-L125 HydrophobicContact CZ3-CD2 4.19Å; W45-L125 HydrophobicContact CZ3-CG 4.11Å; I47-L125 HydrophobicContact CD1-CD1 4.28Å; I47-L125 HydrophobicContact CD1-CD2 3.78Å; L53-L125 HydrophobicContact CD1-CB 3.92Å; L53-L125 HydrophobicContact CD1-CD2 4.08Å; L53-L125 HydrophobicContact CD1-CG 4.49Å; T56-L125 HydrophobicContact CG2-CD1 3.8Å; I57-L125 HydrophobicContact CD1-CB 3.94Å; I57-L125 HydrophobicContact CG1-CB 3.83Å; I57-L125 HydrophobicContact CG1-CD1 4.09Å; M60-L125 HydrophobicContact SD-CD1 4.3Å; R121-L125 WeakPolarHBondContact O-CG 3.27Å; R121-L125 PolarHBondContact O-N 3.38Å; M122-L125 PolarHBondContact O-N 3.1Å; L125-R127 VanDerWaalsContact C-N 3.29Å; L125-R127 PolarHBondContact O-N 3.48Å; L125-M128 PolarHBondContact O-N 2.94Å; L125-G129 PolarHBondContact O-N 3.23Å
126S98.1Very high97.7Very high0 Ų014.3 Ų14.30%07%0.074CC..Hα-helixtrans-61.3-37.7176.8-56.70000112.1M122 G123 F124 V130 S140 I143M122-S126 WeakPolarHBondContact O-CB 3.17Å; M122-S126 PolarHBondContact O-N 2.85Å; M122-S126 PolarHBondContact O-OG 3.44Å; G123-S126 WeakPolarHBondContact O-CB 3.2Å; G123-S126 PolarHBondContact O-N 2.88Å; F124-S126 VanDerWaalsContact C-N 3.26Å; F124-S126 PolarHBondContact O-N 3.04Å; S126-V130 PolarHBondContact O-N 3.45Å; S126-S140 VanDerWaalsContact C-OG 3.26Å; S126-S140 WeakPolarHBondContact O-CB 3.49Å; S126-S140 PolarHBondContact O-OG 3.2Å; S126-I143 WeakPolarHBondContact OG-CG2 3.27Å
127R97.9Very high97.7Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-78.8-34.6177.6-67.3173.872.7-1677.9112.3S13 E17 S26 S29 P30 M32 G123 F124 L125 G129 V130 L131S13-R127 WeakPolarHBondContact OG-CD 3.3Å; S13-R127 PolarHBondContact OG-NH1 2.71Å; E17-R127 IonicContact OE1-CZ 3.19Å; E17-R127 IonicContact OE1-NH1 2.78Å; E17-R127 PolarHBondContact OE1-NH1 2.83Å; E17-R127 IonicContact OE1-NH2 2.73Å; E17-R127 PolarHBondContact OE1-NH2 3.2Å; S26-R127 PolarHBondContact O-NH2 2.65Å; S29-R127 PolarHBondContact O-NE 3.5Å; S29-R127 PolarHBondContact O-NH2 2.81Å; P30-R127 WeakPolarHBondContact O-CA 3.44Å; P30-R127 WeakPolarHBondContact O-CB 3.36Å; P30-R127 WeakPolarHBondContact O-CG 3.36Å; M32-R127 VanDerWaalsContact CA-NH2 3.35Å; M32-R127 HydrophobicContact CB-CB 4.13Å; M32-R127 HydrophobicContact CE-CB 4.39Å; M32-R127 VanDerWaalsContact CE-NH1 3.29Å; G123-R127 WeakPolarHBondContact O-CG 3.43Å; G123-R127 PolarHBondContact O-N 2.85Å; G123-R127 VanDerWaalsContact O-N 3.1Å; F124-R127 PolarHBondContact O-N 3.19Å; L125-R127 VanDerWaalsContact C-N 3.29Å; L125-R127 PolarHBondContact O-N 3.48Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.24Å; R127-V130 PolarHBondContact O-N 3.32Å; R127-L131 PolarHBondContact O-N 2.82Å
128M97.4Very high97.8Very high0 Ų023.9 Ų23.90%012%0.119CC..Hα-helixtrans-64.7-34.6171.1-66-53.794.400111.5M32 Y33 F39 L41 F124 L125 V130 L131 N132M32-M128 HydrophobicContact CB-CE 3.49Å; M32-M128 VanDerWaalsContact CB-CE 3.49Å; M32-M128 HydrophobicContact CG-CE 4.19Å; M32-M128 HydrophobicContact SD-CE 3.86Å; Y33-M128 HydrophobicContact CD2-CE 3.71Å; Y33-M128 HydrophobicContact CD2-SD 4.14Å; Y33-M128 HydrophobicContact CE2-CE 3.55Å; Y33-M128 HydrophobicContact CE2-SD 3.85Å; F39-M128 HydrophobicContact CB-SD 3.64Å; F39-M128 HydrophobicContact CD1-CG 4.31Å; F39-M128 HydrophobicContact CD1-SD 3.83Å; F39-M128 HydrophobicContact CD2-SD 3.72Å; F39-M128 HydrophobicContact CE1-SD 4.44Å; F39-M128 HydrophobicContact CE2-SD 4.33Å; F39-M128 HydrophobicContact CG-CG 4.46Å; F39-M128 HydrophobicContact CG-SD 3.43Å; F39-M128 WeakPolarHBondContact CG-SD 3.22Å; L41-M128 HydrophobicContact CD1-CB 3.95Å; L41-M128 HydrophobicContact CD2-CB 4.42Å; L41-M128 HydrophobicContact CD2-CG 4.3Å; F124-M128 HydrophobicContact CD1-CG 4.11Å; F124-M128 HydrophobicContact CD2-CE 4.43Å; F124-M128 HydrophobicContact CD2-CG 4.11Å; F124-M128 HydrophobicContact CE1-CG 3.65Å; F124-M128 HydrophobicContact CE2-CE 4.11Å; F124-M128 HydrophobicContact CE2-CG 3.64Å; F124-M128 HydrophobicContact CE2-SD 3.79Å; F124-M128 HydrophobicContact CG-CG 4.32Å; F124-M128 HydrophobicContact CZ-CG 3.39Å; F124-M128 HydrophobicContact CZ-SD 3.87Å; F124-M128 WeakPolarHBondContact O-CG 3.28Å; F124-M128 PolarHBondContact O-N 2.71Å; L125-M128 PolarHBondContact O-N 2.94Å; M128-V130 VanDerWaalsContact C-N 3.31Å; M128-V130 PolarHBondContact O-N 3.02Å; M128-L131 HydrophobicContact CE-CD2 3.98Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 3.09Å; M128-L131 HydrophobicContact SD-CD2 3.83Å; M128-N132 WeakPolarHBondContact O-CB 3.31Å; M128-N132 PolarHBondContact O-N 2.87Å
129G98.4Very high97.8Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-58.7-40.1171.300000112.9L125 R127 N133 W134 L135L125-G129 PolarHBondContact O-N 3.23Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.24Å; G129-N133 PolarHBondContact O-N 2.78Å; G129-W134 PolarHBondContact O-N 3.12Å; G129-L135 PolarHBondContact O-N 3.3Å
130V98.4Very high97.8Very high10 Ų1023.9 Ų23.96%0.06112%0.119CC..Hα-helixtrans-69.9-42.3174-173.10000111.4P30 K31 S126 R127 M128 N132 N133 L135P30-V130 HydrophobicContact CB-CG1 4.31Å; K31-V130 HydrophobicContact CG-CB 4.39Å; K31-V130 HydrophobicContact CG-CG1 3.89Å; S126-V130 PolarHBondContact O-N 3.45Å; R127-V130 PolarHBondContact O-N 3.32Å; M128-V130 VanDerWaalsContact C-N 3.31Å; M128-V130 PolarHBondContact O-N 3.02Å; V130-N132 VanDerWaalsContact C-N 3.32Å; V130-N132 PolarHBondContact O-N 3.39Å; V130-N133 PolarHBondContact O-N 2.77Å; V130-N133 VanDerWaalsContact O-N 3.16Å; V130-L135 WeakPolarHBondContact CA-O 3.4Å; V130-L135 HydrophobicContact CG2-CB 4.4Å
131L97.6Very high97.8Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-58.2-44.9178.117759.5000111.6K31 Y33 T36 F39 R127 M128 N133K31-L131 HydrophobicContact CB-CB 4.07Å; K31-L131 HydrophobicContact CB-CD1 4.04Å; K31-L131 HydrophobicContact CD-CD1 4.17Å; K31-L131 HydrophobicContact CG-CB 4.37Å; Y33-L131 HydrophobicContact CD2-CD2 4.12Å; T36-L131 HydrophobicContact CG2-CD1 4.28Å; T36-L131 HydrophobicContact CG2-CD2 3.95Å; T36-L131 WeakPolarHBondContact O-CD1 3.48Å; F39-L131 HydrophobicContact CB-CD2 3.67Å; R127-L131 PolarHBondContact O-N 2.82Å; M128-L131 HydrophobicContact CE-CD2 3.98Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 3.09Å; M128-L131 HydrophobicContact SD-CD2 3.83Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 2.78Å
132N97.8Very high97.9Very high10 Ų1023.5 Ų23.55%0.05312%0.118CC..THydrogen-bonded Turntrans-81.71.4179.9-68.3-1.5000113.9F38 F39 M128 V130 W134F38-N132 WeakPolarHBondContact CA-OD1 3.14Å; F38-N132 HydrophobicContact CD2-CB 4.03Å; F38-N132 WeakPolarHBondContact CD2-OD1 3.41Å; F38-N132 HydrophobicContact CE2-CB 3.95Å; F38-N132 VanDerWaalsContact CE2-CG 3.49Å; F39-N132 PolarHBondContact N-OD1 3Å; F39-N132 PolarHBondContact O-ND2 3.47Å; F39-N132 PolarHBondContact O-OD1 2.69Å; M128-N132 WeakPolarHBondContact O-CB 3.31Å; M128-N132 PolarHBondContact O-N 2.87Å; V130-N132 VanDerWaalsContact C-N 3.32Å; V130-N132 PolarHBondContact O-N 3.39Å; N132-W134 VanDerWaalsContact C-N 3.26Å; N132-W134 HydrophobicContact CB-CD2 3.87Å; N132-W134 HydrophobicContact CB-CE3 4.25Å; N132-W134 HydrophobicContact CB-CG 4.16Å; N132-W134 HydrophobicContact CB-CZ2 4.35Å; N132-W134 PolarHBondContact O-N 2.73Å
133N97.7Very high97.9Very high122 Ų12223.5 Ų23.565%0.65212%0.118SC*.THydrogen-bonded Turntrans59.829.4-175.5-45.8-68.3000114.3G129 V130 L131G129-N133 PolarHBondContact O-N 2.78Å; V130-N133 PolarHBondContact O-N 2.77Å; V130-N133 VanDerWaalsContact O-N 3.16Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 2.78Å
134W98.5Very high97.9Very high51 Ų5123.5 Ų23.519%0.19312%0.118CC..SBendtrans-89.3-27.5172.3-62.5-17.4000112.6F38 L41 I47 D48 R50 L53 G129 N132F38-W134 HydrophobicContact CE2-CZ2 4.3Å; F38-W134 HydrophobicContact CZ-CZ2 4.5Å; L41-W134 HydrophobicContact CD1-CZ3 3.91Å; I47-W134 HydrophobicContact CG2-CH2 4.25Å; I47-W134 HydrophobicContact CG2-CZ3 3.67Å; D48-W134 VanDerWaalsContact O-CZ2 3.23Å; D48-W134 WeakPolarHBondContact O-CZ2 3.13Å; R50-W134 HydrophobicContact CB-CB 4Å; R50-W134 HydrophobicContact CB-CG 4.41Å; R50-W134 WeakPolarHBondContact CD-O 3.45Å; R50-W134 HydrophobicContact CG-CB 4.38Å; R50-W134 WeakPolarHBondContact CG-O 3.32Å; R50-W134 PolarHBondContact NE-O 3.06Å; L53-W134 HydrophobicContact CB-CE3 4.22Å; L53-W134 HydrophobicContact CD2-CE3 4.24Å; G129-W134 PolarHBondContact O-N 3.12Å; N132-W134 VanDerWaalsContact C-N 3.26Å; N132-W134 HydrophobicContact CB-CD2 3.87Å; N132-W134 HydrophobicContact CB-CE3 4.25Å; N132-W134 HydrophobicContact CB-CG 4.16Å; N132-W134 HydrophobicContact CB-CZ2 4.35Å; N132-W134 PolarHBondContact O-N 2.73Å
135L98.5Very high97.9Very high8 Ų823.4 Ų23.44%0.04212%0.118CC..SBendtrans-122.4145.4173.9-58.5179.5000109.9R50 L53 L54 G129 V130 E139 I143R50-L135 HydrophobicContact CG-CD2 4.39Å; L53-L135 HydrophobicContact CD2-CD1 3.67Å; L53-L135 HydrophobicContact CD2-CD2 4.48Å; L53-L135 HydrophobicContact CD2-CG 3.85Å; L54-L135 HydrophobicContact CD2-CD2 3.97Å; L54-L135 HydrophobicContact CG-CD2 4.38Å; G129-L135 PolarHBondContact O-N 3.3Å; V130-L135 WeakPolarHBondContact CA-O 3.4Å; V130-L135 HydrophobicContact CG2-CB 4.4Å; L135-E139 HydrophobicContact CB-CB 4.28Å; L135-E139 HydrophobicContact CD2-CB 4.44Å; L135-I143 HydrophobicContact CD1-CD1 4.04Å
136S98.2Very high97.9Very high51 Ų5127 Ų2736%0.35713%0.132SC..  trans-71.5162.216262.90000111.2E138 E139 S140S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact O-N 3.26Å; S136-E139 WeakPolarHBondContact CB-OE2 3.42Å; S136-E139 PolarHBondContact N-OE2 3Å; S136-E139 PolarHBondContact O-N 3.05Å; S136-E139 WeakPolarHBondContact OG-CB 3.24Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 2.93Å; S136-E139 PolarHBondContact OG-OE2 2.94Å; S136-S140 PolarHBondContact O-N 2.83Å; S136-S140 VanDerWaalsContact O-N 3.07Å
137E97.4Very high97.9Very high81 Ų8127 Ų2738%0.37913%0.132SC..Hα-helixtrans-59.5-39172.2-178.2178.3150.700111.6Q6 P30 S140 L141Q6-E137 PolarHBondContact NE2-OE1 2.63Å; P30-E137 HydrophobicContact CB-CG 3.88Å; P30-E137 HydrophobicContact CG-CG 4.32Å; E137-S140 PolarHBondContact O-N 3.43Å; E137-L141 HydrophobicContact CG-CD1 3.86Å; E137-L141 HydrophobicContact CG-CG 4.21Å; E137-L141 WeakPolarHBondContact O-CB 3.44Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.2Å
138E97Very high97.9Very high124 Ų12427 Ų2758%0.57913%0.132SC*.Hα-helixtrans-60.5-46.9177.5-178178.8-167.800112S136 L141 W142 P226S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact O-N 3.26Å; E138-L141 PolarHBondContact O-N 3.03Å; E138-W142 WeakPolarHBondContact O-CB 3.18Å; E138-W142 PolarHBondContact O-N 3.47Å; E138-P226 HydrophobicContact CG-CG 4.2Å
139E98.3Very high97.8Very high13 Ų1330 Ų306%0.06115%0.147CC..Hα-helixtrans-60.6-46.1176.2-76.1170.6127.300111.7R50 L135 S136 W142 I143 P226 T228 L229R50-E139 IonicContact CZ-OE1 3.06Å; R50-E139 IonicContact NH2-OE1 3.29Å; R50-E139 PolarHBondContact NH2-OE1 3.18Å; L135-E139 HydrophobicContact CB-CB 4.28Å; L135-E139 HydrophobicContact CD2-CB 4.44Å; S136-E139 WeakPolarHBondContact CB-OE2 3.42Å; S136-E139 PolarHBondContact N-OE2 3Å; S136-E139 PolarHBondContact O-N 3.05Å; S136-E139 WeakPolarHBondContact OG-CB 3.24Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 2.93Å; S136-E139 PolarHBondContact OG-OE2 2.94Å; E139-W142 PolarHBondContact O-N 2.91Å; E139-I143 WeakPolarHBondContact O-CG1 3.38Å; E139-I143 PolarHBondContact O-N 3.5Å; E139-P226 HydrophobicContact CG-CB 4.43Å; E139-P226 HydrophobicContact CG-CG 4.49Å; E139-T228 VanDerWaalsContact CD-OG1 3.31Å; E139-T228 VanDerWaalsContact OE1-CB 3.25Å; E139-T228 WeakPolarHBondContact OE1-CB 3.26Å; E139-T228 PolarHBondContact OE1-OG1 3.35Å; E139-L229 HydrophobicContact CB-CD1 3.75Å; E139-L229 HydrophobicContact CB-CG 4.37Å; E139-L229 HydrophobicContact CG-CD1 3.8Å; E139-L229 HydrophobicContact CG-CD2 4.49Å; E139-L229 HydrophobicContact CG-CG 3.92Å
140S98.1Very high97.7Very high0 Ų033.4 Ų33.40%016%0.16CC..Hα-helixtrans-64.4-43.6179.1-175.40000112.6S126 S136 E137 W142 I143 Q144S126-S140 VanDerWaalsContact C-OG 3.26Å; S126-S140 WeakPolarHBondContact O-CB 3.49Å; S126-S140 PolarHBondContact O-OG 3.2Å; S136-S140 PolarHBondContact O-N 2.83Å; S136-S140 VanDerWaalsContact O-N 3.07Å; E137-S140 PolarHBondContact O-N 3.43Å; S140-W142 VanDerWaalsContact C-N 3.33Å; S140-I143 PolarHBondContact O-N 3.34Å; S140-Q144 WeakPolarHBondContact O-CB 3.47Å; S140-Q144 VanDerWaalsContact O-CG 3.31Å; S140-Q144 WeakPolarHBondContact O-CG 3.48Å; S140-Q144 PolarHBondContact O-N 2.96Å; S140-Q144 PolarHBondContact O-NE2 3.02Å; S140-Q144 PolarHBondContact OG-NE2 3.26Å; S140-Q144 VanDerWaalsContact OG-NE2 3.14Å
141L97.9Very high97.6Very high13 Ų1332.9 Ų32.97%0.06816%0.157CC..Hα-helixtrans-64.8-38.5175.5-73.3174.3000111.3M1 Q6 L9 F10 E137 E138 Q144 S145M1-L141 HydrophobicContact SD-CB 4.42Å; M1-L141 HydrophobicContact SD-CD1 4.39Å; M1-L141 HydrophobicContact SD-CD2 4.14Å; Q6-L141 HydrophobicContact CB-CD2 4.36Å; Q6-L141 HydrophobicContact CG-CD1 4.03Å; Q6-L141 HydrophobicContact CG-CD2 3.95Å; L9-L141 HydrophobicContact CD1-CD2 4.09Å; L9-L141 WeakPolarHBondContact CD1-O 3.38Å; F10-L141 HydrophobicContact CD1-CD2 4.42Å; F10-L141 HydrophobicContact CE1-CD2 3.53Å; F10-L141 HydrophobicContact CZ-CD2 3.81Å; E137-L141 HydrophobicContact CG-CD1 3.86Å; E137-L141 HydrophobicContact CG-CG 4.21Å; E137-L141 WeakPolarHBondContact O-CB 3.44Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.2Å; E138-L141 PolarHBondContact O-N 3.03Å; L141-Q144 PolarHBondContact O-N 3.49Å; L141-S145 WeakPolarHBondContact O-CB 3.4Å; L141-S145 PolarHBondContact O-N 3.47Å
142W97.8Very high97.6Very high8 Ų834.8 Ų34.83%0.0317%0.167CC..Hα-helixtrans-62.2-50.5175.4-178.481.8000111.2E138 E139 S140 Q144 S145 R146 A224 C225 P226 L229 M232 L235E138-W142 WeakPolarHBondContact O-CB 3.18Å; E138-W142 PolarHBondContact O-N 3.47Å; E139-W142 PolarHBondContact O-N 2.91Å; S140-W142 VanDerWaalsContact C-N 3.33Å; W142-Q144 PolarHBondContact O-N 3.41Å; W142-S145 WeakPolarHBondContact O-CB 3.42Å; W142-S145 PolarHBondContact O-N 3.5Å; W142-S145 PolarHBondContact O-OG 3.14Å; W142-R146 HydrophobicContact CD2-CG 4.2Å; W142-R146 HydrophobicContact CE3-CG 4.33Å; W142-R146 HydrophobicContact CH2-CG 3.99Å; W142-R146 HydrophobicContact CZ2-CG 3.84Å; W142-R146 HydrophobicContact CZ3-CG 4.24Å; W142-R146 WeakPolarHBondContact O-CG 3.42Å; W142-R146 PolarHBondContact O-N 2.85Å; W142-R146 VanDerWaalsContact O-N 3.14Å; W142-A224 VanDerWaalsContact CD1-O 3.3Å; W142-C225 HydrophobicContact CH2-CB 4.46Å; W142-C225 HydrophobicContact CZ2-CB 3.64Å; W142-C225 WeakPolarHBondContact CZ2-SG 3.17Å; W142-C225 VanDerWaalsContact NE1-CA 3.28Å; W142-P226 HydrophobicContact CB-CG 4.07Å; W142-P226 VanDerWaalsContact CG-CD 3.44Å; W142-P226 HydrophobicContact CG-CG 4.26Å; W142-L229 HydrophobicContact CE3-CB 4.33Å; W142-L229 HydrophobicContact CE3-CD1 3.57Å; W142-L229 HydrophobicContact CZ3-CB 4.19Å; W142-L229 HydrophobicContact CZ3-CD1 4.04Å; W142-M232 HydrophobicContact CH2-CB 4.44Å; W142-M232 WeakPolarHBondContact CH2-O 3.38Å; W142-M232 HydrophobicContact CZ3-CB 4.19Å; W142-L235 HydrophobicContact CH2-CB 4.26Å
143I98.1Very high97.5Very high0 Ų044 Ų440%020%0.201CC..Hα-helixtrans-56.5-49176.8-67.8168000110.8L54 I57 S126 L135 E139 S140 S145 R146 I147 L229 L235L54-I143 HydrophobicContact CD2-CD1 3.99Å; I57-I143 HydrophobicContact CD1-CD1 4.45Å; I57-I143 HydrophobicContact CG2-CG2 3.93Å; S126-I143 WeakPolarHBondContact OG-CG2 3.27Å; L135-I143 HydrophobicContact CD1-CD1 4.04Å; E139-I143 WeakPolarHBondContact O-CG1 3.38Å; E139-I143 PolarHBondContact O-N 3.5Å; S140-I143 PolarHBondContact O-N 3.34Å; I143-S145 PolarHBondContact O-N 3.41Å; I143-R146 WeakPolarHBondContact O-CB 3.43Å; I143-R146 PolarHBondContact O-N 3.09Å; I143-R146 VanDerWaalsContact O-N 3.07Å; I143-I147 HydrophobicContact CG2-CD1 4Å; I143-I147 WeakPolarHBondContact O-CG1 3.26Å; I143-I147 PolarHBondContact O-N 3.13Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I143-L229 HydrophobicContact CD1-CD1 4.07Å; I143-L229 HydrophobicContact CG1-CD1 3.96Å; I143-L235 HydrophobicContact CG2-CD2 3.94Å
144Q97.9Very high97.4Very high0 Ų042.2 Ų42.20%019%0.186CC..Hα-helixtrans-62.1-32.7178.5-71.2-179.981.100112.3L9 S140 L141 W142 R146 I147 H148L9-Q144 HydrophobicContact CB-CB 4.04Å; L9-Q144 HydrophobicContact CD1-CB 4.3Å; L9-Q144 PolarHBondContact O-OE1 2.71Å; L9-Q144 VanDerWaalsContact O-OE1 3.11Å; S140-Q144 WeakPolarHBondContact O-CB 3.47Å; S140-Q144 VanDerWaalsContact O-CG 3.31Å; S140-Q144 WeakPolarHBondContact O-CG 3.48Å; S140-Q144 PolarHBondContact O-N 2.96Å; S140-Q144 PolarHBondContact O-NE2 3.02Å; S140-Q144 PolarHBondContact OG-NE2 3.26Å; S140-Q144 VanDerWaalsContact OG-NE2 3.14Å; L141-Q144 PolarHBondContact O-N 3.49Å; W142-Q144 PolarHBondContact O-N 3.41Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.05Å; Q144-I147 PolarHBondContact O-N 3.21Å; Q144-H148 WeakPolarHBondContact O-CB 3.42Å; Q144-H148 PolarHBondContact O-N 3.18Å
145S97.9Very high97.3Very high1 Ų139.9 Ų39.91%0.00718%0.177CC..Hα-helixtrans-67.5-32.4175.186.10000113.1L141 W142 I143 H148 L149L141-S145 WeakPolarHBondContact O-CB 3.4Å; L141-S145 PolarHBondContact O-N 3.47Å; W142-S145 WeakPolarHBondContact O-CB 3.42Å; W142-S145 PolarHBondContact O-N 3.5Å; W142-S145 PolarHBondContact O-OG 3.14Å; I143-S145 PolarHBondContact O-N 3.41Å; S145-H148 WeakPolarHBondContact O-CB 3.29Å; S145-H148 PolarHBondContact O-N 3.37Å; S145-L149 WeakPolarHBondContact O-CG 3.47Å; S145-L149 PolarHBondContact O-N 3.47Å; S145-L149 VanDerWaalsContact O-N 3.1Å
146R97.2Very high97.2Very high74 Ų7443.9 Ų43.928%0.27921%0.205SC..Hα-helixtrans-69.5-44173.2-56.9-47.8-61.3-175.1-7.7111.1W142 I143 Q144 H148 L149 R150 L235W142-R146 HydrophobicContact CD2-CG 4.2Å; W142-R146 HydrophobicContact CE3-CG 4.33Å; W142-R146 HydrophobicContact CH2-CG 3.99Å; W142-R146 HydrophobicContact CZ2-CG 3.84Å; W142-R146 HydrophobicContact CZ3-CG 4.24Å; W142-R146 WeakPolarHBondContact O-CG 3.42Å; W142-R146 PolarHBondContact O-N 2.85Å; W142-R146 VanDerWaalsContact O-N 3.14Å; I143-R146 WeakPolarHBondContact O-CB 3.43Å; I143-R146 PolarHBondContact O-N 3.09Å; I143-R146 VanDerWaalsContact O-N 3.07Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.05Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 3.23Å; R146-L149 PolarHBondContact O-N 3.33Å; R146-R150 WeakPolarHBondContact O-CG 3.15Å; R146-R150 PolarHBondContact O-N 2.98Å; R146-L235 HydrophobicContact CB-CB 4.41Å; R146-L235 HydrophobicContact CB-CD2 3.64Å; R146-L235 HydrophobicContact CB-CG 4.35Å; R146-L235 HydrophobicContact CG-CB 4.37Å; R146-L235 HydrophobicContact CG-CD2 4.06Å; R146-L235 PolarHBondContact NE-O 3.16Å; R146-L235 PolarHBondContact NH2-O 2.91Å
147I97.1Very high97.1Very high1 Ų144.7 Ų44.71%0.00521%0.206CC..Hα-helixtrans-58.4-44172.7-61.5165.8000110.1L12 Y119 M122 I143 Q144 L149 R150 A151L12-I147 HydrophobicContact CD1-CB 4.47Å; L12-I147 HydrophobicContact CD1-CG2 4.24Å; Y119-I147 HydrophobicContact CD1-CG2 4.24Å; Y119-I147 HydrophobicContact CG-CG2 3.96Å; M122-I147 HydrophobicContact CB-CD1 3.45Å; M122-I147 VanDerWaalsContact CB-CD1 3.45Å; M122-I147 HydrophobicContact CB-CG1 4.26Å; M122-I147 HydrophobicContact CE-CD1 4.07Å; M122-I147 HydrophobicContact CE-CG1 3.79Å; M122-I147 HydrophobicContact SD-CG1 4.43Å; I143-I147 HydrophobicContact CG2-CD1 4Å; I143-I147 WeakPolarHBondContact O-CG1 3.26Å; I143-I147 PolarHBondContact O-N 3.13Å; I143-I147 VanDerWaalsContact O-N 3.07Å; Q144-I147 PolarHBondContact O-N 3.21Å; I147-L149 PolarHBondContact O-N 3.17Å; I147-R150 PolarHBondContact O-N 3.18Å; I147-A151 WeakPolarHBondContact O-CB 3.31Å; I147-A151 PolarHBondContact O-N 2.88Å
148H97.9Very high97Very high1 Ų141.3 Ų41.31%0.00519%0.19CC..Hα-helixtrans-58.1-48.6178.1-175.8-147.3000112.5L9 L12 Q144 S145 R146 R150 A151 L152 Q217 Y222L9-H148 HydrophobicContact CD2-CB 3.56Å; L12-H148 HydrophobicContact CD1-CB 3.78Å; Q144-H148 WeakPolarHBondContact O-CB 3.42Å; Q144-H148 PolarHBondContact O-N 3.18Å; S145-H148 WeakPolarHBondContact O-CB 3.29Å; S145-H148 PolarHBondContact O-N 3.37Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 3.23Å; H148-R150 PolarHBondContact O-N 3.28Å; H148-A151 WeakPolarHBondContact O-CB 3.41Å; H148-A151 PolarHBondContact O-N 3.48Å; H148-A151 VanDerWaalsContact O-N 3.13Å; H148-L152 WeakPolarHBondContact O-CG 3.29Å; H148-L152 PolarHBondContact O-N 2.94Å; H148-Q217 PolarHBondContact CE1-O 3.16Å; H148-Q217 PolarHBondContact NE2-O 2.79Å; H148-Y222 PolarHBondContact CE1-OH 3.49Å; H148-Y222 AromaticContact ND1-CE1 3.91Å; H148-Y222 AromaticContact ND1-CZ 3.92Å; H148-Y222 PolarHBondContact ND1-OH 3.39Å; H148-Y222 VanDerWaalsContact ND1-OH 3.16Å
149L97.1Very high96.9Very high62 Ų6243 Ų4333%0.32519%0.191SC..Hα-helixtrans-58.4-36.7178.2-74.7169.5000112.2S145 R146 I147 R153 Y222S145-L149 WeakPolarHBondContact O-CG 3.47Å; S145-L149 PolarHBondContact O-N 3.47Å; S145-L149 VanDerWaalsContact O-N 3.1Å; R146-L149 PolarHBondContact O-N 3.33Å; I147-L149 PolarHBondContact O-N 3.17Å; L149-R153 PolarHBondContact O-N 3.11Å; L149-Y222 HydrophobicContact CD1-CD1 3.9Å; L149-Y222 HydrophobicContact CD1-CE1 3.99Å; L149-Y222 HydrophobicContact CD1-CG 4.44Å; L149-Y222 HydrophobicContact CD2-CD1 4.24Å; L149-Y222 HydrophobicContact CD2-CD2 4.5Å; L149-Y222 HydrophobicContact CD2-CE1 3.64Å; L149-Y222 HydrophobicContact CD2-CE2 3.92Å; L149-Y222 VanDerWaalsContact CD2-CZ 3.45Å; L149-Y222 HydrophobicContact CG-CD1 3.95Å; L149-Y222 HydrophobicContact CG-CE1 3.49Å; L149-Y222 VanDerWaalsContact CG-CE1 3.49Å
150R95.1Very high96.8Very high71 Ų7143.9 Ų43.927%0.26820%0.195SC..Hα-helixtrans-73-41.1175.9-64.6-177.4-177-65.55.2111.9I61 Y119 R146 I147 H148 L152 R153 Y154 D234 L235I61-R150 VanDerWaalsContact CD1-NE 3.32Å; Y119-R150 HydrophobicContact CE1-CB 4.42Å; Y119-R150 HydrophobicContact CE2-CB 4.29Å; R146-R150 WeakPolarHBondContact O-CG 3.15Å; R146-R150 PolarHBondContact O-N 2.98Å; I147-R150 PolarHBondContact O-N 3.18Å; H148-R150 PolarHBondContact O-N 3.28Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.43Å; R150-R153 WeakPolarHBondContact O-CB 3Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-R153 VanDerWaalsContact O-N 3.12Å; R150-Y154 WeakPolarHBondContact O-CD2 3.47Å; R150-Y154 PolarHBondContact O-N 3.14Å; R150-D234 PolarHBondContact NH2-O 3.25Å; R150-L235 PolarHBondContact NE-OXT 3.41Å; R150-L235 PolarHBondContact NH2-OXT 3.45Å
151A97Very high96.8Very high0 Ų043.9 Ų43.90%020%0.195CC..Hα-helixtrans-58.5-46.5174.700000111L12 Y119 I147 H148 R153 Y154 Y155 Y161 W216L12-A151 HydrophobicContact CD2-CB 4.23Å; Y119-A151 HydrophobicContact CD2-CB 4.34Å; I147-A151 WeakPolarHBondContact O-CB 3.31Å; I147-A151 PolarHBondContact O-N 2.88Å; H148-A151 WeakPolarHBondContact O-CB 3.41Å; H148-A151 PolarHBondContact O-N 3.48Å; H148-A151 VanDerWaalsContact O-N 3.13Å; A151-R153 PolarHBondContact O-N 3.25Å; A151-Y154 PolarHBondContact O-N 3.13Å; A151-Y155 WeakPolarHBondContact O-CD2 3.21Å; A151-Y155 PolarHBondContact O-N 2.9Å; A151-Y161 HydrophobicContact CB-CD2 4.07Å; A151-Y161 HydrophobicContact CB-CE2 3.75Å; A151-W216 HydrophobicContact CB-CH2 3.92Å; A151-W216 HydrophobicContact CB-CZ2 4.31Å
152L97.4Very high96.7Very high40 Ų4043.6 Ų43.621%0.20919%0.193CC..Hα-helixtrans-59-28.8176-71.3170.8000113.6H148 R150 W216 P218 Y222H148-L152 WeakPolarHBondContact O-CG 3.29Å; H148-L152 PolarHBondContact O-N 2.94Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.43Å; L152-W216 HydrophobicContact CD2-CD2 4.49Å; L152-W216 HydrophobicContact CD2-CZ2 4.32Å; L152-P218 HydrophobicContact CD1-CB 4.17Å; L152-P218 HydrophobicContact CD1-CG 4.13Å; L152-Y222 WeakPolarHBondContact CD1-OH 3.33Å
153R95.6Very high96.6Very high203 Ų20343.9 Ų43.977%0.76620%0.197SC*.Hα-helixtrans-71.8-30.9176.917757.8178.4175.80.5112.6L149 R150 A151L149-R153 PolarHBondContact O-N 3.11Å; R150-R153 WeakPolarHBondContact O-CB 3Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-R153 VanDerWaalsContact O-N 3.12Å; A151-R153 PolarHBondContact O-N 3.25Å
154Y94.8Very high96.5Very high84 Ų8443.9 Ų43.933%0.32920%0.197SC..Hα-helixtrans-109.8-22.6-167.8-74.2-58.7000114.3G112 K115 Y119 R150 A151G112-Y154 PolarHBondContact N-O 3.24Å; K115-Y154 HydrophobicContact CD-CD1 4.21Å; K115-Y154 HydrophobicContact CD-CD2 3.72Å; K115-Y154 HydrophobicContact CD-CE1 4.17Å; K115-Y154 HydrophobicContact CD-CE2 3.67Å; K115-Y154 HydrophobicContact CD-CG 4.01Å; Y119-Y154 HydrophobicContact CE2-CD2 4.3Å; Y119-Y154 WeakPolarHBondContact OH-CE2 3.49Å; R150-Y154 WeakPolarHBondContact O-CD2 3.47Å; R150-Y154 PolarHBondContact O-N 3.14Å; A151-Y154 PolarHBondContact O-N 3.13Å
155Y97.2Very high96.5Very high3 Ų344 Ų441%0.01220%0.198CC..  trans-128.7143.6-175-54.9-78.5000110.6C109 G112 G113 K115 A116 Y119 A151 Q160 Y161 W216C109-Y155 WeakPolarHBondContact O-CD1 3.34Å; C109-Y155 WeakPolarHBondContact O-CE1 3.35Å; G112-Y155 PolarHBondContact O-OH 3.43Å; G113-Y155 PolarHBondContact O-OH 3.32Å; K115-Y155 HydrophobicContact CB-CE2 4.43Å; K115-Y155 PolarHBondContact N-OH 3.44Å; K115-Y155 VanDerWaalsContact N-OH 3.09Å; A116-Y155 HydrophobicContact CB-CE1 4.41Å; A116-Y155 HydrophobicContact CB-CE2 3.86Å; A116-Y155 PolarHBondContact N-OH 3.13Å; Y119-Y155 HydrophobicContact CD2-CE2 4.3Å; Y119-Y155 HydrophobicContact CE2-CE2 4.22Å; A151-Y155 WeakPolarHBondContact O-CD2 3.21Å; A151-Y155 PolarHBondContact O-N 2.9Å; Y155-Q160 HydrophobicContact CD1-CB 4.33Å; Y155-Q160 HydrophobicContact CD1-CG 4.05Å; Y155-Y161 AromaticContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CE2 4.4Å; Y155-Y161 HydrophobicContact CE2-CD2 4Å; Y155-Y161 HydrophobicContact CE2-CE2 4.48Å; Y155-Y161 HydrophobicContact CG-CD2 4.14Å; Y155-W216 VanDerWaalsContact O-CE2 3.29Å; Y155-W216 VanDerWaalsContact O-CZ2 3.26Å; Y155-W216 WeakPolarHBondContact O-CZ2 3.44Å; Y155-W216 PolarHBondContact O-NE1 3.48Å
156S95.9Very high96.3Very high91 Ų9144.7 Ų44.764%0.63620%0.202SC*.SBendtrans-99.3-14.5-174.6-60.30000113.5
157N96.2Very high96.2Very high68 Ų6842.4 Ų42.436%0.36419%0.194SC..SBendtrans-165.9168.7179.356.267.1000111.5R159 Q160 Y161N157-R159 VanDerWaalsContact C-N 3.28Å; N157-R159 PolarHBondContact O-N 2.87Å; N157-R159 WeakPolarHBondContact OD1-CA 3.45Å; N157-R159 VanDerWaalsContact OD1-CB 3.32Å; N157-R159 WeakPolarHBondContact OD1-CB 3.17Å; N157-R159 PolarHBondContact OD1-N 3.45Å; N157-Q160 PolarHBondContact O-N 3.34Å; N157-Q160 PolarHBondContact OD1-N 3.38Å; N157-Y161 PolarHBondContact O-N 3.11Å
158W96.6Very high96.1Very high10 Ų1042.4 Ų42.44%0.03819%0.194CC..Hα-helixtrans-58.3-34.1177.5-69.6116.6000113.8I8 A11 L12 Y161 F162 F204 Y211 L214 W216I8-W158 HydrophobicContact CG2-CZ2 4.34Å; A11-W158 HydrophobicContact CB-CH2 3.65Å; A11-W158 HydrophobicContact CB-CZ2 3.97Å; A11-W158 HydrophobicContact CB-CZ3 4.21Å; L12-W158 HydrophobicContact CD2-CH2 3.93Å; L12-W158 HydrophobicContact CD2-CZ3 3.98Å; L12-W158 HydrophobicContact CG-CH2 4.32Å; W158-Y161 HydrophobicContact CE3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CE1 4.32Å; W158-Y161 PolarHBondContact O-N 2.87Å; W158-F162 VanDerWaalsContact O-CB 3.3Å; W158-F162 WeakPolarHBondContact O-CB 3.37Å; W158-F162 PolarHBondContact O-N 3.16Å; W158-F204 HydrophobicContact CB-CE1 4.45Å; W158-F204 HydrophobicContact CB-CZ 4.25Å; W158-Y211 HydrophobicContact CB-CD1 4.42Å; W158-Y211 HydrophobicContact CB-CD2 4.42Å; W158-Y211 HydrophobicContact CB-CG 4.07Å; W158-Y211 AromaticContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CE1 4.15Å; W158-Y211 HydrophobicContact CD2-CG 4.45Å; W158-Y211 AromaticContact CE3-CD1 3.91Å; W158-Y211 HydrophobicContact CE3-CD1 3.91Å; W158-Y211 AromaticContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CG-CD1 4.15Å; W158-Y211 HydrophobicContact CG-CG 4.25Å; W158-Y211 AromaticContact CZ3-CE1 3.97Å; W158-Y211 HydrophobicContact CZ3-CE1 3.97Å; W158-L214 HydrophobicContact CZ2-CD1 4.46Å; W158-L214 PolarHBondContact NE1-O 2.78Å; W158-W216 AromaticContact CD2-CE3 3.55Å; W158-W216 HydrophobicContact CD2-CE3 3.55Å; W158-W216 AromaticContact CD2-CZ3 3.84Å; W158-W216 HydrophobicContact CD2-CZ3 3.84Å; W158-W216 AromaticContact CE2-CE3 3.71Å; W158-W216 AromaticContact CE3-CE3 3.83Å; W158-W216 HydrophobicContact CE3-CE3 3.83Å; W158-W216 AromaticContact CE3-CZ3 3.58Å; W158-W216 HydrophobicContact CE3-CZ3 3.58Å; W158-W216 AromaticContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CZ3 4.49Å; W158-W216 HydrophobicContact CH2-CE3 4.34Å; W158-W216 HydrophobicContact CH2-CZ3 4.14Å; W158-W216 HydrophobicContact CZ2-CE3 4.11Å; W158-W216 HydrophobicContact CZ2-CZ3 4.38Å; W158-W216 HydrophobicContact CZ3-CE3 4.21Å; W158-W216 AromaticContact CZ3-CZ3 3.75Å; W158-W216 HydrophobicContact CZ3-CZ3 3.75Å
159R94.9Very high95.9Very high160 Ų16043.1 Ų43.160%0.60420%0.196SC*.Hα-helixtrans-64.6-44.6178.2-65177.8-178.4-90.7-1.6111N157 F162 A163 F204N157-R159 VanDerWaalsContact C-N 3.28Å; N157-R159 PolarHBondContact O-N 2.87Å; N157-R159 WeakPolarHBondContact OD1-CA 3.45Å; N157-R159 VanDerWaalsContact OD1-CB 3.32Å; N157-R159 WeakPolarHBondContact OD1-CB 3.17Å; N157-R159 PolarHBondContact OD1-N 3.45Å; R159-F162 PolarHBondContact O-N 3.44Å; R159-A163 WeakPolarHBondContact O-CB 3.23Å; R159-A163 PolarHBondContact O-N 2.93Å; R159-F204 HydrophobicContact CB-CE1 4.31Å; R159-F204 HydrophobicContact CB-CZ 4.37Å; R159-F204 HydrophobicContact CG-CD1 4.06Å; R159-F204 HydrophobicContact CG-CE1 3.44Å; R159-F204 VanDerWaalsContact CG-CE1 3.44Å; R159-F204 HydrophobicContact CG-CZ 3.98Å
160Q96.2Very high95.7Very high32 Ų3240.7 Ų40.715%0.1518%0.183CC..Hα-helixtrans-67.4-41178.2-156-177.628.800111.6C108 C109 Y155 N157 A163 G164C108-Q160 VanDerWaalsContact O-CG 3.29Å; C108-Q160 WeakPolarHBondContact O-CG 3.34Å; C109-Q160 VanDerWaalsContact C-CG 3.47Å; C109-Q160 WeakPolarHBondContact O-CG 3.41Å; Y155-Q160 HydrophobicContact CD1-CB 4.33Å; Y155-Q160 HydrophobicContact CD1-CG 4.05Å; N157-Q160 PolarHBondContact O-N 3.34Å; N157-Q160 PolarHBondContact OD1-N 3.38Å; Q160-A163 PolarHBondContact O-N 3.29Å; Q160-G164 PolarHBondContact O-N 3.26Å
161Y97.7Very high95.6Very high0 Ų038.1 Ų38.10%017%0.174CC..Hα-helixtrans-60.4-48.1174-176.5-101000111.7L12 A116 Y119 V120 A151 Y155 N157 W158 A163 G164 Y165 W216L12-Y161 HydrophobicContact CD2-CE1 4.27Å; L12-Y161 HydrophobicContact CD2-CE2 4.22Å; L12-Y161 PolarHBondContact O-OH 3.02Å; A116-Y161 HydrophobicContact CB-CD2 3.7Å; A116-Y161 HydrophobicContact CB-CE2 3.69Å; A116-Y161 HydrophobicContact CB-CG 4.17Å; A116-Y161 WeakPolarHBondContact CB-O 3.45Å; Y119-Y161 WeakPolarHBondContact CB-OH 3.35Å; Y119-Y161 HydrophobicContact CD2-CE2 4.17Å; V120-Y161 HydrophobicContact CG2-CE1 3.75Å; A151-Y161 HydrophobicContact CB-CD2 4.07Å; A151-Y161 HydrophobicContact CB-CE2 3.75Å; Y155-Y161 AromaticContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CE2 4.4Å; Y155-Y161 HydrophobicContact CE2-CD2 4Å; Y155-Y161 HydrophobicContact CE2-CE2 4.48Å; Y155-Y161 HydrophobicContact CG-CD2 4.14Å; N157-Y161 PolarHBondContact O-N 3.11Å; W158-Y161 HydrophobicContact CE3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CE1 4.32Å; W158-Y161 PolarHBondContact O-N 2.87Å; Y161-A163 PolarHBondContact O-N 2.82Å; Y161-G164 PolarHBondContact O-N 3.28Å; Y161-Y165 PolarHBondContact O-N 3.24Å; Y161-W216 AromaticContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CZ3 4.22Å; Y161-W216 AromaticContact CG-CH2 3.88Å; Y161-W216 HydrophobicContact CG-CH2 3.88Å; Y161-W216 AromaticContact CG-CZ3 3.93Å; Y161-W216 HydrophobicContact CG-CZ3 3.93Å
162F95.9Very high95.3Very high7 Ų743 Ų433%0.03119%0.193CC..Hα-helixtrans-67.7-34.1178.3-176.1-104.5000113.2P15 W158 R159 Y165 T166 M199 F200 L203 F204 Y211P15-F162 HydrophobicContact CB-CE2 4.28Å; P15-F162 HydrophobicContact CG-CD2 4.04Å; P15-F162 HydrophobicContact CG-CE2 4.17Å; W158-F162 VanDerWaalsContact O-CB 3.3Å; W158-F162 WeakPolarHBondContact O-CB 3.37Å; W158-F162 PolarHBondContact O-N 3.16Å; R159-F162 PolarHBondContact O-N 3.44Å; F162-Y165 HydrophobicContact CD2-CD1 4.24Å; F162-Y165 HydrophobicContact CE2-CD1 4.09Å; F162-Y165 PolarHBondContact O-N 2.77Å; F162-T166 WeakPolarHBondContact CE1-OG1 3.46Å; F162-T166 WeakPolarHBondContact O-CB 3.4Å; F162-T166 PolarHBondContact O-N 3.3Å; F162-T166 PolarHBondContact O-OG1 2.93Å; F162-M199 HydrophobicContact CE2-CB 4.1Å; F162-M199 HydrophobicContact CZ-CB 3.92Å; F162-F200 HydrophobicContact CE1-CB 4.15Å; F162-F200 HydrophobicContact CE1-CD2 4.01Å; F162-F200 HydrophobicContact CZ-CB 4.34Å; F162-L203 HydrophobicContact CD2-CD1 4.12Å; F162-L203 HydrophobicContact CE2-CD1 3.7Å; F162-L203 HydrophobicContact CZ-CD1 4.5Å; F162-F204 HydrophobicContact CB-CE2 3.46Å; F162-F204 VanDerWaalsContact CB-CE2 3.46Å; F162-F204 HydrophobicContact CB-CZ 3.9Å; F162-F204 AromaticContact CD1-CD2 3.88Å; F162-F204 HydrophobicContact CD1-CD2 3.88Å; F162-F204 AromaticContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD1-CE2 3.47Å; F162-F204 VanDerWaalsContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD2-CE2 4.19Å; F162-F204 HydrophobicContact CE1-CD2 4.24Å; F162-F204 HydrophobicContact CE1-CE2 4.24Å; F162-F204 HydrophobicContact CG-CD2 4.23Å; F162-F204 AromaticContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CE2 3.44Å; F162-F204 VanDerWaalsContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CZ 4.37Å; F162-Y211 HydrophobicContact CB-CE2 4.26Å; F162-Y211 HydrophobicContact CD2-CE2 4Å; F162-Y211 HydrophobicContact CG-CE2 4.41Å
163A95.1Very high95Very high14 Ų1444.3 Ų44.312%0.11620%0.197CC..Hα-helixtrans-61-46.1170.500000110.7C108 R159 Q160 Y161 Y165 T166 F167C108-A163 HydrophobicContact CB-CB 4.15Å; C108-A163 WeakPolarHBondContact O-CB 3.08Å; R159-A163 WeakPolarHBondContact O-CB 3.23Å; R159-A163 PolarHBondContact O-N 2.93Å; Q160-A163 PolarHBondContact O-N 3.29Å; Y161-A163 PolarHBondContact O-N 2.82Å; A163-Y165 VanDerWaalsContact C-N 3.29Å; A163-Y165 PolarHBondContact O-N 3.21Å; A163-T166 PolarHBondContact O-N 2.99Å; A163-F167 HydrophobicContact CB-CD2 4.32Å; A163-F167 HydrophobicContact CB-CE2 4.25Å; A163-F167 WeakPolarHBondContact O-CD2 3.31Å; A163-F167 PolarHBondContact O-N 3.3Å
164G96.8Very high94.8Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-57.3-40.7174.400000113G113 I114 Q160 Y161 G168G113-G164 VanDerWaalsContact O-CA 3.31Å; G113-G164 WeakPolarHBondContact O-CA 3.46Å; I114-G164 WeakPolarHBondContact CA-O 3.41Å; Q160-G164 PolarHBondContact O-N 3.26Å; Y161-G164 PolarHBondContact O-N 3.28Å; G164-G168 PolarHBondContact O-N 2.84Å
165Y96.1Very high94.4Very high2 Ų233 Ų331%0.00816%0.161CC..Hα-helixtrans-64.3-50.1173.3168.4-97.6000111.8P15 W117 V120 Y161 F162 A163 F167 G168 R169 M199P15-Y165 HydrophobicContact CB-CD1 3.75Å; P15-Y165 HydrophobicContact CB-CD2 4.36Å; P15-Y165 HydrophobicContact CB-CE1 3.43Å; P15-Y165 VanDerWaalsContact CB-CE1 3.43Å; P15-Y165 HydrophobicContact CB-CE2 4.07Å; P15-Y165 HydrophobicContact CB-CG 4.21Å; P15-Y165 HydrophobicContact CG-CD1 4.17Å; P15-Y165 HydrophobicContact CG-CE1 4.35Å; P15-Y165 HydrophobicContact CG-CG 4.35Å; W117-Y165 AromaticContact CE3-CD2 3.82Å; W117-Y165 HydrophobicContact CE3-CD2 3.82Å; W117-Y165 AromaticContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CZ3-CD2 4.39Å; W117-Y165 AromaticContact CZ3-CE2 3.68Å; W117-Y165 HydrophobicContact CZ3-CE2 3.68Å; V120-Y165 HydrophobicContact CB-CD2 3.65Å; V120-Y165 HydrophobicContact CB-CE2 4.01Å; V120-Y165 HydrophobicContact CG1-CD2 3.75Å; V120-Y165 HydrophobicContact CG1-CE2 3.62Å; V120-Y165 HydrophobicContact CG2-CD2 3.55Å; V120-Y165 HydrophobicContact CG2-CE2 4.3Å; V120-Y165 HydrophobicContact CG2-CG 4Å; Y161-Y165 PolarHBondContact O-N 3.24Å; F162-Y165 HydrophobicContact CD2-CD1 4.24Å; F162-Y165 HydrophobicContact CE2-CD1 4.09Å; F162-Y165 PolarHBondContact O-N 2.77Å; A163-Y165 VanDerWaalsContact C-N 3.29Å; A163-Y165 PolarHBondContact O-N 3.21Å; Y165-F167 PolarHBondContact O-N 2.98Å; Y165-G168 PolarHBondContact O-N 2.64Å; Y165-R169 WeakPolarHBondContact O-CB 3.28Å; Y165-R169 PolarHBondContact O-N 2.82Å; Y165-M199 HydrophobicContact CE1-SD 3.54Å; Y165-M199 VanDerWaalsContact CE1-SD 3.54Å
166T94.7Very high93.4Very high15 Ų1540.2 Ų40.29%0.09220%0.195CC..Hα-helixtrans-57-53.9-178-65.80000111.2F162 A163 G168 R169 Q170 Y192F162-T166 WeakPolarHBondContact CE1-OG1 3.46Å; F162-T166 WeakPolarHBondContact O-CB 3.4Å; F162-T166 PolarHBondContact O-N 3.3Å; F162-T166 PolarHBondContact O-OG1 2.93Å; A163-T166 PolarHBondContact O-N 2.99Å; T166-G168 VanDerWaalsContact C-N 3.3Å; T166-G168 PolarHBondContact O-N 3.07Å; T166-R169 WeakPolarHBondContact O-CB 3.37Å; T166-R169 PolarHBondContact O-N 3.34Å; T166-Q170 PolarHBondContact O-N 2.89Å; T166-Y192 HydrophobicContact CG2-CD1 4.05Å; T166-Y192 HydrophobicContact CG2-CE1 3.22Å; T166-Y192 WeakPolarHBondContact CG2-OH 3.44Å
167F94.9Very high92.2Very high27 Ų2739 Ų3912%0.11818%0.181CC..Hα-helixtrans-71.2-28.7-177.9-67.9-58.4000111.9F101 T105 C108 C109 I114 A163 Y165 Y171 K190F101-F167 HydrophobicContact CE2-CD1 4.34Å; F101-F167 HydrophobicContact CZ-CB 3.91Å; F101-F167 HydrophobicContact CZ-CD1 4.29Å; F101-F167 WeakPolarHBondContact CZ-O 3.06Å; T105-F167 HydrophobicContact CG2-CB 4.34Å; T105-F167 HydrophobicContact CG2-CD1 3.53Å; T105-F167 HydrophobicContact CG2-CD2 4.08Å; T105-F167 HydrophobicContact CG2-CE1 3.74Å; T105-F167 HydrophobicContact CG2-CE2 4.25Å; T105-F167 HydrophobicContact CG2-CG 3.71Å; T105-F167 HydrophobicContact CG2-CZ 4.08Å; C108-F167 HydrophobicContact CB-CE2 3.77Å; C109-F167 WeakPolarHBondContact SG-CD2 3.31Å; I114-F167 HydrophobicContact CG2-CB 4.01Å; A163-F167 HydrophobicContact CB-CD2 4.32Å; A163-F167 HydrophobicContact CB-CE2 4.25Å; A163-F167 WeakPolarHBondContact O-CD2 3.31Å; A163-F167 PolarHBondContact O-N 3.3Å; Y165-F167 PolarHBondContact O-N 2.98Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 PolarHBondContact O-N 3.21Å; F167-K190 HydrophobicContact CE1-CB 4.3Å; F167-K190 HydrophobicContact CE1-CD 4.12Å; F167-K190 HydrophobicContact CE1-CG 4.13Å
168G95.5Very high91.2Very high0 Ų042.6 Ų42.60%020%0.2CC..Hα-helixtrans-69-35.8171.200000113.1I114 G164 Y165 T166 Y171 W172I114-G168 VanDerWaalsContact CG2-N 3.34Å; G164-G168 PolarHBondContact O-N 2.84Å; Y165-G168 PolarHBondContact O-N 2.64Å; T166-G168 VanDerWaalsContact C-N 3.3Å; T166-G168 PolarHBondContact O-N 3.07Å; G168-Y171 PolarHBondContact O-N 3.46Å; G168-W172 WeakPolarHBondContact O-CB 3.38Å; G168-W172 PolarHBondContact O-N 3.07Å
169R93.5Very high90.8Very high16 Ų1647 Ų476%0.0622%0.221CC..Hα-helixtrans-65.2-45.7172-173.2175.2-178.6-82.99.8111.4W117 Y165 T166 Y171 W172 Q173 D193W117-R169 HydrophobicContact CE3-CB 3.67Å; W117-R169 HydrophobicContact CE3-CG 4.29Å; W117-R169 HydrophobicContact CH2-CB 4.29Å; W117-R169 HydrophobicContact CH2-CG 4.07Å; W117-R169 HydrophobicContact CZ3-CB 3.5Å; W117-R169 HydrophobicContact CZ3-CG 3.6Å; Y165-R169 WeakPolarHBondContact O-CB 3.28Å; Y165-R169 PolarHBondContact O-N 2.82Å; T166-R169 WeakPolarHBondContact O-CB 3.37Å; T166-R169 PolarHBondContact O-N 3.34Å; R169-Y171 VanDerWaalsContact C-N 3.32Å; R169-Y171 PolarHBondContact O-N 3.25Å; R169-W172 PolarHBondContact O-N 3.49Å; R169-W172 VanDerWaalsContact O-N 3.13Å; R169-Q173 VanDerWaalsContact NH1-NE2 3.17Å; R169-Q173 WeakPolarHBondContact O-CG 3.18Å; R169-Q173 PolarHBondContact O-N 2.98Å; R169-D193 IonicContact CZ-OD1 3.99Å; R169-D193 VanDerWaalsContact CZ-OD1 3.29Å; R169-D193 IonicContact CZ-OD2 3.25Å; R169-D193 IonicContact NH1-OD1 3.67Å; R169-D193 PolarHBondContact NH1-OD1 3.4Å; R169-D193 IonicContact NH1-OD2 3.83Å; R169-D193 PolarHBondContact NH1-OD2 3.17Å; R169-D193 VanDerWaalsContact NH2-CG 3.32Å; R169-D193 IonicContact NH2-OD1 3.66Å; R169-D193 PolarHBondContact NH2-OD1 3.2Å; R169-D193 IonicContact NH2-OD2 2.88Å; R169-D193 PolarHBondContact NH2-OD2 2.95Å
170Q92.3Very high90.5Very high11 Ų1140.9 Ų40.95%0.05120%0.2CC..Hα-helixtrans-58.9-45.6174.7-171-167.6-4.200110.9T166 W172 Q173 S174 F186 L187 K190T166-Q170 PolarHBondContact O-N 2.89Å; Q170-W172 VanDerWaalsContact C-N 3.33Å; Q170-W172 PolarHBondContact O-N 2.97Å; Q170-Q173 PolarHBondContact O-N 2.88Å; Q170-S174 PolarHBondContact O-N 2.85Å; Q170-S174 VanDerWaalsContact O-N 3.07Å; Q170-F186 HydrophobicContact CG-CD1 4.4Å; Q170-F186 HydrophobicContact CG-CE1 3.85Å; Q170-F186 PolarHBondContact NE2-O 3.44Å; Q170-F186 WeakPolarHBondContact O-CE1 3.45Å; Q170-L187 PolarHBondContact NE2-O 3.03Å; Q170-L187 VanDerWaalsContact NE2-O 3.11Å; Q170-K190 VanDerWaalsContact NE2-CA 3.28Å
171Y93.2Very high90.2Very high18 Ų1843.6 Ų43.67%0.07122%0.221CC..Hα-helixtrans-60.1-42.1174.1168.1-103.1000112.3H65 R68 L69 Y98 I114 F167 G168 R169 Q173 S174H65-Y171 HydrophobicContact CB-CE1 4.43Å; R68-Y171 WeakPolarHBondContact CB-OH 3.44Å; R68-Y171 WeakPolarHBondContact CD-OH 3.34Å; R68-Y171 VanDerWaalsContact CG-OH 3.26Å; R68-Y171 WeakPolarHBondContact CG-OH 3.33Å; L69-Y171 HydrophobicContact CD1-CD1 4.37Å; L69-Y171 HydrophobicContact CD1-CD2 3.7Å; L69-Y171 HydrophobicContact CD1-CE2 4Å; L69-Y171 HydrophobicContact CD1-CG 3.9Å; L69-Y171 HydrophobicContact CD2-CD2 4.47Å; L69-Y171 HydrophobicContact CD2-CE2 3.98Å; L69-Y171 HydrophobicContact CG-CD2 4.21Å; L69-Y171 HydrophobicContact CG-CE1 4.43Å; L69-Y171 HydrophobicContact CG-CE2 3.98Å; Y98-Y171 HydrophobicContact CD1-CD2 4.36Å; Y98-Y171 AromaticContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CE1-CD2 4.14Å; Y98-Y171 AromaticContact CE1-CE2 3.59Å; Y98-Y171 HydrophobicContact CE1-CE2 3.59Å; I114-Y171 HydrophobicContact CD1-CD1 3.54Å; I114-Y171 HydrophobicContact CD1-CE1 4.17Å; I114-Y171 HydrophobicContact CD1-CG 4.03Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 PolarHBondContact O-N 3.21Å; G168-Y171 PolarHBondContact O-N 3.46Å; R169-Y171 VanDerWaalsContact C-N 3.32Å; R169-Y171 PolarHBondContact O-N 3.25Å; Y171-Q173 VanDerWaalsContact C-N 3.32Å; Y171-Q173 PolarHBondContact O-N 3.09Å; Y171-S174 WeakPolarHBondContact O-CB 3.17Å; Y171-S174 PolarHBondContact O-N 2.79Å; Y171-S174 PolarHBondContact O-OG 3.32Å
172W91.8Very high89.9Confident103 Ų10347.1 Ų47.139%0.3924%0.239SC..Hα-helixtrans-65.2-32.9176.6173.868000113.4H65 W117 G168 R169 Q170 S174H65-W172 AromaticContact CD2-CD1 3.2Å; H65-W172 AromaticContact CD2-NE1 3.91Å; H65-W172 AromaticContact NE2-CD1 3.41Å; H65-W172 AromaticContact NE2-NE1 3.65Å; W117-W172 AromaticContact CE2-CG 3.97Å; W117-W172 HydrophobicContact CH2-CB 4.42Å; W117-W172 AromaticContact CH2-CD2 3.91Å; W117-W172 HydrophobicContact CH2-CD2 3.91Å; W117-W172 AromaticContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CG 4.23Å; W117-W172 HydrophobicContact CH2-CZ3 4.36Å; W117-W172 HydrophobicContact CZ2-CB 3.67Å; W117-W172 AromaticContact CZ2-CD2 3.48Å; W117-W172 HydrophobicContact CZ2-CD2 3.48Å; W117-W172 VanDerWaalsContact CZ2-CD2 3.48Å; W117-W172 AromaticContact CZ2-CE3 3.77Å; W117-W172 HydrophobicContact CZ2-CE3 3.77Å; W117-W172 AromaticContact CZ2-CG 3.41Å; W117-W172 HydrophobicContact CZ2-CG 3.41Å; W117-W172 VanDerWaalsContact CZ2-CG 3.41Å; G168-W172 WeakPolarHBondContact O-CB 3.38Å; G168-W172 PolarHBondContact O-N 3.07Å; R169-W172 PolarHBondContact O-N 3.49Å; R169-W172 VanDerWaalsContact O-N 3.13Å; Q170-W172 VanDerWaalsContact C-N 3.33Å; Q170-W172 PolarHBondContact O-N 2.97Å; W172-S174 VanDerWaalsContact C-N 3.32Å
173Q90.9Very high89.7Confident66 Ų6646.8 Ų46.831%0.30824%0.238SC..Hα-helixtrans-82.2-8.8177.2-69.5175.5-58.100113.7R169 Q170 Y171 F186 D193R169-Q173 VanDerWaalsContact NH1-NE2 3.17Å; R169-Q173 WeakPolarHBondContact O-CG 3.18Å; R169-Q173 PolarHBondContact O-N 2.98Å; Q170-Q173 PolarHBondContact O-N 2.88Å; Y171-Q173 VanDerWaalsContact C-N 3.32Å; Y171-Q173 PolarHBondContact O-N 3.09Å; Q173-F186 HydrophobicContact CB-CE1 4.23Å; Q173-F186 HydrophobicContact CB-CZ 3.88Å; Q173-D193 PolarHBondContact NE2-OD2 3.22Å
174S90.6Very high89.6Confident19 Ų1949.3 Ų49.313%0.13324%0.244CC..SBendtrans-62.3145.6-178.178.40000110.5Q170 Y171 W172Q170-S174 PolarHBondContact O-N 2.85Å; Q170-S174 VanDerWaalsContact O-N 3.07Å; Y171-S174 WeakPolarHBondContact O-CB 3.17Å; Y171-S174 PolarHBondContact O-N 2.79Å; Y171-S174 PolarHBondContact O-OG 3.32Å; W172-S174 VanDerWaalsContact C-N 3.32Å
175P87.5Confident89.4Confident30 Ų3053.8 Ų53.820%0.19527%0.265CS..PPolyproline II helixtrans-58.7160.6-179.627.7-37.5000111.7L182 L183P175-L182 HydrophobicContact CB-CD2 4.14Å; P175-L182 HydrophobicContact CG-CB 4.42Å; P175-L182 HydrophobicContact CG-CD2 4.19Å; P175-L182 HydrophobicContact CG-CG 4.05Å; P175-L183 HydrophobicContact CG-CB 4.23Å; P175-L183 HydrophobicContact CG-CD1 4.47Å
176E76.1Confident89.2Confident155 Ų15556.8 Ų56.872%0.72428%0.278SS*.PPolyproline II helixtrans-56157.3174.5-68.1-171.9-170.800112.4D178 H179E176-D178 PolarHBondContact O-N 3.03Å; E176-H179 PolarHBondContact O-N 3.45Å
177D70.3Confident89.1Confident67 Ų6756.3 Ų56.336%0.35828%0.275SS..THydrogen-bonded Turntrans-67-8.8-165.4-66.3-14.8000114.3R68 Q94 Y98R68-D177 IonicContact CZ-OD2 3.38Å; R68-D177 IonicContact NH1-OD1 3.7Å; R68-D177 IonicContact NH1-OD2 3.1Å; R68-D177 PolarHBondContact NH1-OD2 3.15Å; R68-D177 VanDerWaalsContact NH1-OD2 3.1Å; R68-D177 IonicContact NH2-OD1 3.83Å; R68-D177 IonicContact NH2-OD2 2.7Å; R68-D177 PolarHBondContact NH2-OD2 3.09Å; Q94-D177 VanDerWaalsContact NE2-CB 3.3Å; Q94-D177 PolarHBondContact NE2-OD1 3.35Å; Q94-D177 PolarHBondContact NE2-OD2 3.48Å; Y98-D177 PolarHBondContact OH-OD1 2.96Å
178D75.5Confident88.9Confident142 Ų14258.2 Ų58.276%0.75930%0.296SS*.THydrogen-bonded Turntrans-84.5-14.4-175.967.6-18.9000114E176E176-D178 PolarHBondContact O-N 3.03Å
179H86.8Confident88.6Confident103 Ų10364.4 Ų64.448%0.47732%0.319SS..  trans-112.366.6179.7-150.4111.9000113.1E176 L182 L183E176-H179 PolarHBondContact O-N 3.45Å; H179-L182 HydrophobicContact CB-CB 4.32Å; H179-L182 WeakPolarHBondContact CD2-CB 3.32Å; H179-L182 PolarHBondContact O-N 3.11Å; H179-L182 VanDerWaalsContact O-N 3.09Å; H179-L183 PolarHBondContact O-N 3.15Å
180L89.2Confident88.2Confident31 Ų3167.2 Ų67.216%0.16233%0.332CS..Hα-helixtrans-50.9-44.3-174-179.374.6000115.6E93 Q94 A97 L182 L183 R184E93-L180 HydrophobicContact CB-CD1 4.32Å; E93-L180 HydrophobicContact CB-CD2 3.4Å; E93-L180 VanDerWaalsContact CB-CD2 3.4Å; E93-L180 HydrophobicContact CG-CD2 4.21Å; E93-L180 WeakPolarHBondContact OE2-CD2 3.38Å; Q94-L180 HydrophobicContact CB-CD1 4.45Å; A97-L180 HydrophobicContact CB-CD1 4.19Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 3.47Å; L180-L183 PolarHBondContact O-N 2.88Å; L180-R184 HydrophobicContact CD1-CG 4.4Å; L180-R184 WeakPolarHBondContact O-CG 3.43Å; L180-R184 PolarHBondContact O-N 2.96Å
181P91.1Very high87.8Confident89 Ų8973 Ų7358%0.57836%0.359SS*.Hα-helixtrans-60.3-42.2178.6-25.436000112.9R184 E185P181-R184 PolarHBondContact O-N 3.28Å; P181-E185 WeakPolarHBondContact O-CB 3.3Å; P181-E185 PolarHBondContact O-N 3.43Å
182L91Very high87.1Confident75 Ų7576 Ų7639%0.39337%0.371SS..Hα-helixtrans-70.7-38.4178.6-173.867.3000110.9P175 H179 L180 E185 F186P175-L182 HydrophobicContact CB-CD2 4.14Å; P175-L182 HydrophobicContact CG-CB 4.42Å; P175-L182 HydrophobicContact CG-CD2 4.19Å; P175-L182 HydrophobicContact CG-CG 4.05Å; H179-L182 HydrophobicContact CB-CB 4.32Å; H179-L182 WeakPolarHBondContact CD2-CB 3.32Å; H179-L182 PolarHBondContact O-N 3.11Å; H179-L182 VanDerWaalsContact O-N 3.09Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 3.47Å; L182-E185 PolarHBondContact O-N 3.33Å; L182-F186 WeakPolarHBondContact O-CB 3.5Å; L182-F186 PolarHBondContact O-N 3.35Å
183L91.5Very high86.7Confident0 Ų073.7 Ų73.70%037%0.366CS..Hα-helixtrans-57.2-49.4172.417763.5000111.3Q94 A97 Y98 P175 H179 L180 F186 L187Q94-L183 HydrophobicContact CG-CD2 4.21Å; A97-L183 HydrophobicContact CB-CD2 4.42Å; Y98-L183 HydrophobicContact CE1-CD1 4.24Å; Y98-L183 HydrophobicContact CE1-CD2 4.08Å; P175-L183 HydrophobicContact CG-CB 4.23Å; P175-L183 HydrophobicContact CG-CD1 4.47Å; H179-L183 PolarHBondContact O-N 3.15Å; L180-L183 PolarHBondContact O-N 2.88Å; L183-F186 PolarHBondContact O-N 3.29Å; L183-L187 HydrophobicContact CD1-CD1 3.75Å; L183-L187 HydrophobicContact CD1-CG 4.05Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.09Å; L183-L187 WeakPolarHBondContact O-CG 3.26Å; L183-L187 PolarHBondContact O-N 2.91Å
184R92.5Very high86.5Confident67 Ų6777.4 Ų77.425%0.25339%0.388SS..Hα-helixtrans-61.5-46178.7-72.9179.7-175.5-84.77.4111.6E93 A97 L180 P181 A188E93-R184 PolarHBondContact O-NH2 2.89Å; A97-R184 HydrophobicContact CB-CG 3.72Å; L180-R184 HydrophobicContact CD1-CG 4.4Å; L180-R184 WeakPolarHBondContact O-CG 3.43Å; L180-R184 PolarHBondContact O-N 2.96Å; P181-R184 PolarHBondContact O-N 3.28Å; R184-A188 WeakPolarHBondContact O-CB 3.43Å; R184-A188 PolarHBondContact O-N 3.36Å
185E92.6Very high86.2Confident93 Ų9377.6 Ų77.644%0.43539%0.39SS..Hα-helixtrans-61.9-48.5178.2-176.9175.3-166.500111.5P181 L182 L187 A188 R189P181-E185 WeakPolarHBondContact O-CB 3.3Å; P181-E185 PolarHBondContact O-N 3.43Å; L182-E185 PolarHBondContact O-N 3.33Å; E185-L187 PolarHBondContact O-N 3.03Å; E185-A188 PolarHBondContact O-N 3.24Å; E185-R189 VanDerWaalsContact CD-NH2 3.31Å; E185-R189 WeakPolarHBondContact O-CG 3.26Å; E185-R189 PolarHBondContact O-N 3.16Å; E185-R189 IonicContact OE1-CZ 2.85Å; E185-R189 IonicContact OE1-NE 3.54Å; E185-R189 IonicContact OE1-NH2 2.55Å; E185-R189 PolarHBondContact OE1-NH2 3.32Å; E185-R189 IonicContact OE2-NH2 3.88Å
186F92.2Very high86.3Confident66 Ų6676.3 Ų76.329%0.28938%0.382SS..Hα-helixtrans-59.9-47-179.8-172.3-82.5000112Q170 Q173 L182 L183 A188Q170-F186 HydrophobicContact CG-CD1 4.4Å; Q170-F186 HydrophobicContact CG-CE1 3.85Å; Q170-F186 PolarHBondContact NE2-O 3.44Å; Q170-F186 WeakPolarHBondContact O-CE1 3.45Å; Q173-F186 HydrophobicContact CB-CE1 4.23Å; Q173-F186 HydrophobicContact CB-CZ 3.88Å; L182-F186 WeakPolarHBondContact O-CB 3.5Å; L182-F186 PolarHBondContact O-N 3.35Å; L183-F186 PolarHBondContact O-N 3.29Å; F186-A188 VanDerWaalsContact C-N 3.33Å; F186-A188 PolarHBondContact O-N 3.36Å
187L92.4Very high86.9Confident4 Ų472.5 Ų72.52%0.02137%0.366CS..Hα-helixtrans-67.8-33.4178.2-68.4178.3000112.2Y98 F101 Q170 L183 E185Y98-L187 HydrophobicContact CD1-CD1 3.96Å; Y98-L187 HydrophobicContact CE1-CD1 4.2Å; F101-L187 HydrophobicContact CB-CB 4.28Å; F101-L187 HydrophobicContact CB-CD1 4.06Å; F101-L187 HydrophobicContact CD1-CD2 4.48Å; F101-L187 HydrophobicContact CD2-CB 3.83Å; F101-L187 HydrophobicContact CD2-CD2 3.86Å; F101-L187 HydrophobicContact CD2-CG 4.3Å; F101-L187 HydrophobicContact CE2-CD2 3.99Å; F101-L187 HydrophobicContact CG-CB 4.29Å; F101-L187 HydrophobicContact CG-CD1 4.3Å; F101-L187 HydrophobicContact CG-CD2 4.1Å; F101-L187 HydrophobicContact CG-CG 4.47Å; F101-L187 HydrophobicContact CZ-CD2 4.35Å; Q170-L187 PolarHBondContact NE2-O 3.03Å; Q170-L187 VanDerWaalsContact NE2-O 3.11Å; L183-L187 HydrophobicContact CD1-CD1 3.75Å; L183-L187 HydrophobicContact CD1-CG 4.05Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.09Å; L183-L187 WeakPolarHBondContact O-CG 3.26Å; L183-L187 PolarHBondContact O-N 2.91Å; E185-L187 PolarHBondContact O-N 3.03Å
188A91.7Very high87.8Confident68 Ų6872.3 Ų72.356%0.56237%0.365SS*.Hα-helixtrans-71.3-34.3178.900000113.3R184 E185 F186 K190R184-A188 WeakPolarHBondContact O-CB 3.43Å; R184-A188 PolarHBondContact O-N 3.36Å; E185-A188 PolarHBondContact O-N 3.24Å; F186-A188 VanDerWaalsContact C-N 3.33Å; F186-A188 PolarHBondContact O-N 3.36Å; A188-K190 PolarHBondContact O-N 3.45Å
189R88.9Confident88.6Confident129 Ų12965.6 Ų65.649%0.48733%0.329SS..Hα-helixtrans-61.6-38.3-178-77.9179.2-171.7179.41.1113.5E185 E191E185-R189 VanDerWaalsContact CD-NH2 3.31Å; E185-R189 WeakPolarHBondContact O-CG 3.26Å; E185-R189 PolarHBondContact O-N 3.16Å; E185-R189 IonicContact OE1-CZ 2.85Å; E185-R189 IonicContact OE1-NE 3.54Å; E185-R189 IonicContact OE1-NH2 2.55Å; E185-R189 PolarHBondContact OE1-NH2 3.32Å; E185-R189 IonicContact OE2-NH2 3.88Å; R189-E191 HydrophobicContact CB-CB 4.48Å; R189-E191 HydrophobicContact CB-CG 4Å; R189-E191 PolarHBondContact O-N 3.47Å; R189-E191 VanDerWaalsContact O-N 3.13Å
190K84Confident88.8Confident76 Ų7664.6 Ų64.633%0.3332%0.324SS..  trans51.333.7-177.9-60.6172.6-173.5159.30113S104 F167 Q170 A188S104-K190 PolarHBondContact O-NZ 2.93Å; S104-K190 VanDerWaalsContact O-NZ 3.09Å; S104-K190 WeakPolarHBondContact OG-CE 3.2Å; S104-K190 PolarHBondContact OG-NZ 3.45Å; F167-K190 HydrophobicContact CE1-CB 4.3Å; F167-K190 HydrophobicContact CE1-CD 4.12Å; F167-K190 HydrophobicContact CE1-CG 4.13Å; Q170-K190 VanDerWaalsContact NE2-CA 3.28Å; A188-K190 PolarHBondContact O-N 3.45Å
191E84.6Confident88.9Confident132 Ų13269.8 Ų69.862%0.61734%0.342SS*.PPolyproline II helixtrans-81.4136.7-179.3-75.1167-178.600110R189R189-E191 HydrophobicContact CB-CB 4.48Å; R189-E191 HydrophobicContact CB-CG 4Å; R189-E191 PolarHBondContact O-N 3.47Å; R189-E191 VanDerWaalsContact O-N 3.13Å
192Y78.9Confident88.9Confident81 Ų8168.9 Ų68.932%0.31833%0.33SS..PPolyproline II helixtrans-75.8134.1165.1-73.9-76.8000109T166 G196 N197T166-Y192 HydrophobicContact CG2-CD1 4.05Å; T166-Y192 HydrophobicContact CG2-CE1 3.22Å; T166-Y192 WeakPolarHBondContact CG2-OH 3.44Å; Y192-G196 VanDerWaalsContact CD1-C 3.45Å; Y192-N197 VanDerWaalsContact CB-CG 3.43Å; Y192-N197 VanDerWaalsContact CB-OD1 3.25Å; Y192-N197 WeakPolarHBondContact CB-OD1 3.44Å; Y192-N197 PolarHBondContact O-ND2 3.01Å
193D83.3Confident89.1Confident55 Ų5565.3 Ų65.329%0.29431%0.312SS..PPolyproline II helixtrans-71.6172.2157.365.37.2000110R169 Q173 S195 G196 N197R169-D193 IonicContact CZ-OD1 3.99Å; R169-D193 VanDerWaalsContact CZ-OD1 3.29Å; R169-D193 IonicContact CZ-OD2 3.25Å; R169-D193 IonicContact NH1-OD1 3.67Å; R169-D193 PolarHBondContact NH1-OD1 3.4Å; R169-D193 IonicContact NH1-OD2 3.83Å; R169-D193 PolarHBondContact NH1-OD2 3.17Å; R169-D193 VanDerWaalsContact NH2-CG 3.32Å; R169-D193 IonicContact NH2-OD1 3.66Å; R169-D193 PolarHBondContact NH2-OD1 3.2Å; R169-D193 IonicContact NH2-OD2 2.88Å; R169-D193 PolarHBondContact NH2-OD2 2.95Å; Q173-D193 PolarHBondContact NE2-OD2 3.22Å; D193-S195 PolarHBondContact O-N 3.14Å; D193-G196 WeakPolarHBondContact O-CA 3.48Å; D193-G196 PolarHBondContact O-N 3.39Å; D193-G196 PolarHBondContact OD1-N 3.42Å; D193-N197 PolarHBondContact O-N 3.32Å; D193-N197 PolarHBondContact O-ND2 3.04Å
194D85.1Confident89.1Confident144 Ų14466.4 Ų66.477%0.7732%0.317SS*.Hα-helixtrans-55-41.1-175.5-63.8-23.9000112.3G196 N197 D198D194-G196 PolarHBondContact O-N 2.96Å; D194-N197 PolarHBondContact O-N 3.09Å; D194-D198 WeakPolarHBondContact O-CB 3.49Å; D194-D198 PolarHBondContact O-N 2.89Å
195S85.9Confident89Confident23 Ų2365.7 Ų65.716%0.16133%0.325CS..Hα-helixtrans-63.9-40.9176.4-176.80000112.2D193 D198 M199D193-S195 PolarHBondContact O-N 3.14Å; S195-D198 PolarHBondContact O-N 2.86Å; S195-M199 VanDerWaalsContact O-CG 3.27Å; S195-M199 WeakPolarHBondContact O-CG 3.47Å; S195-M199 PolarHBondContact O-N 3Å; S195-M199 WeakPolarHBondContact OG-CE 3.45Å
196G88.6Confident89Confident3 Ų362.6 Ų62.63%0.03131%0.313CS..Hα-helixtrans-66.9-38.2175.500000113.4Y192 D193 D194 M199 F200Y192-G196 VanDerWaalsContact CD1-C 3.45Å; D193-G196 WeakPolarHBondContact O-CA 3.48Å; D193-G196 PolarHBondContact O-N 3.39Å; D193-G196 PolarHBondContact OD1-N 3.42Å; D194-G196 PolarHBondContact O-N 2.96Å; G196-M199 PolarHBondContact O-N 2.99Å; G196-F200 PolarHBondContact O-N 2.7Å
197N88.6Confident88.9Confident75 Ų7567.7 Ų67.740%0.40134%0.343SS..Hα-helixtrans-64.2-44174.6-77.4-53.2000111.2Y192 D193 D194 F200 Y201Y192-N197 VanDerWaalsContact CB-CG 3.43Å; Y192-N197 VanDerWaalsContact CB-OD1 3.25Å; Y192-N197 WeakPolarHBondContact CB-OD1 3.44Å; Y192-N197 PolarHBondContact O-ND2 3.01Å; D193-N197 PolarHBondContact O-N 3.32Å; D193-N197 PolarHBondContact O-ND2 3.04Å; D194-N197 PolarHBondContact O-N 3.09Å; N197-F200 PolarHBondContact O-N 3.42Å; N197-Y201 WeakPolarHBondContact O-CB 3.31Å; N197-Y201 PolarHBondContact O-N 3.42Å
198D89.4Confident88.7Confident62 Ų6274.8 Ų74.833%0.33238%0.382SS..Hα-helixtrans-62.8-43.4177.5-172.639.2000111.6I18 D194 S195 F200 Y201 Q202I18-D198 HydrophobicContact CG2-CB 4.37Å; I18-D198 WeakPolarHBondContact CG2-OD2 3.38Å; D194-D198 WeakPolarHBondContact O-CB 3.49Å; D194-D198 PolarHBondContact O-N 2.89Å; S195-D198 PolarHBondContact O-N 2.86Å; D198-F200 PolarHBondContact O-N 3.1Å; D198-Y201 PolarHBondContact O-N 3.41Å; D198-Q202 WeakPolarHBondContact O-CG 3.36Å; D198-Q202 PolarHBondContact O-N 3.02Å; D198-Q202 PolarHBondContact OD1-NE2 3.48Å; D198-Q202 PolarHBondContact OD2-NE2 2.83Å
199M92.1Very high88.7Confident1 Ų171.9 Ų71.91%0.00536%0.357CS..Hα-helixtrans-57.8-48172.5-72176.2-14300112.4P15 I18 R19 F162 Y165 S195 G196 Y201 L203P15-M199 HydrophobicContact CB-SD 3.89Å; P15-M199 WeakPolarHBondContact O-CE 3.44Å; I18-M199 HydrophobicContact CB-CG 3.94Å; I18-M199 HydrophobicContact CD1-CB 4.35Å; I18-M199 HydrophobicContact CD1-CG 4.12Å; I18-M199 HydrophobicContact CG2-CG 3.94Å; R19-M199 HydrophobicContact CB-CE 4.08Å; R19-M199 HydrophobicContact CG-CE 4.46Å; F162-M199 HydrophobicContact CE2-CB 4.1Å; F162-M199 HydrophobicContact CZ-CB 3.92Å; Y165-M199 HydrophobicContact CE1-SD 3.54Å; Y165-M199 VanDerWaalsContact CE1-SD 3.54Å; S195-M199 VanDerWaalsContact O-CG 3.27Å; S195-M199 WeakPolarHBondContact O-CG 3.47Å; S195-M199 PolarHBondContact O-N 3Å; S195-M199 WeakPolarHBondContact OG-CE 3.45Å; G196-M199 PolarHBondContact O-N 2.99Å; M199-Y201 VanDerWaalsContact C-N 3.3Å; M199-Y201 PolarHBondContact O-N 3.41Å; M199-L203 HydrophobicContact CB-CD1 4.38Å; M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 2.98Å
200F91.4Very high88.9Confident83 Ų8366.9 Ų66.936%0.36434%0.339SS..Hα-helixtrans-61.8-42.4178.8176.5-101.4000111.3F162 G196 N197 D198 F204 A205F162-F200 HydrophobicContact CE1-CB 4.15Å; F162-F200 HydrophobicContact CE1-CD2 4.01Å; F162-F200 HydrophobicContact CZ-CB 4.34Å; G196-F200 PolarHBondContact O-N 2.7Å; N197-F200 PolarHBondContact O-N 3.42Å; D198-F200 PolarHBondContact O-N 3.1Å; F200-F204 HydrophobicContact CD2-CB 4.37Å; F200-F204 HydrophobicContact CD2-CD2 4.31Å; F200-F204 HydrophobicContact CE2-CB 4.16Å; F200-F204 PolarHBondContact O-N 3.41Å; F200-A205 HydrophobicContact CD1-CB 4.25Å; F200-A205 HydrophobicContact CE1-CB 3.9Å; F200-A205 PolarHBondContact O-N 3.02Å
201Y91.8Very high89.5Confident140 Ų14063.4 Ų63.455%0.54932%0.323SS..Iπ-helixtrans-62-55179.1-176-103.3000111.7N197 D198 M199 L203 A205 S206N197-Y201 WeakPolarHBondContact O-CB 3.31Å; N197-Y201 PolarHBondContact O-N 3.42Å; D198-Y201 PolarHBondContact O-N 3.41Å; M199-Y201 VanDerWaalsContact C-N 3.3Å; M199-Y201 PolarHBondContact O-N 3.41Å; Y201-L203 VanDerWaalsContact C-N 3.33Å; Y201-L203 PolarHBondContact O-N 3.33Å; Y201-A205 HydrophobicContact CD2-CB 4.11Å; Y201-A205 PolarHBondContact O-N 2.88Å; Y201-S206 PolarHBondContact O-N 2.91Å; Y201-S206 PolarHBondContact O-OG 3.12Å
202Q91.4Very high89.9Confident69 Ų6960.9 Ų60.932%0.32232%0.318SS..Iπ-helixtrans-68.2-29.5-177.5-65.4-175.433.300113.6I18 D198 A209 Y210I18-Q202 HydrophobicContact CD1-CB 3.84Å; I18-Q202 HydrophobicContact CD1-CG 4.48Å; D198-Q202 WeakPolarHBondContact O-CG 3.36Å; D198-Q202 PolarHBondContact O-N 3.02Å; D198-Q202 PolarHBondContact OD1-NE2 3.48Å; D198-Q202 PolarHBondContact OD2-NE2 2.83Å; Q202-A209 WeakPolarHBondContact O-CA 3.32Å; Q202-Y210 PolarHBondContact O-N 3.32Å
203L93.9Very high90.6Very high1 Ų161.9 Ų61.91%0.00533%0.333CS..Iπ-helixtrans-94.1-22-174.9-60.4175.3000113.9T14 P15 I18 F162 M199 Y201 Y210 Y211 P212T14-L203 HydrophobicContact CG2-CD2 3.55Å; P15-L203 HydrophobicContact CB-CD1 4.37Å; P15-L203 HydrophobicContact CG-CD1 4.08Å; I18-L203 HydrophobicContact CD1-CD1 3.98Å; I18-L203 HydrophobicContact CD1-CD2 3.97Å; I18-L203 HydrophobicContact CD1-CG 3.75Å; F162-L203 HydrophobicContact CD2-CD1 4.12Å; F162-L203 HydrophobicContact CE2-CD1 3.7Å; F162-L203 HydrophobicContact CZ-CD1 4.5Å; M199-L203 HydrophobicContact CB-CD1 4.38Å; M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 2.98Å; Y201-L203 VanDerWaalsContact C-N 3.33Å; Y201-L203 PolarHBondContact O-N 3.33Å; L203-Y210 HydrophobicContact CD2-CD1 4.42Å; L203-Y211 HydrophobicContact CB-CD2 3.66Å; L203-Y211 HydrophobicContact CB-CE2 3.94Å; L203-Y211 HydrophobicContact CB-CG 4.42Å; L203-Y211 HydrophobicContact CD1-CD2 4.35Å; L203-Y211 HydrophobicContact CD1-CE2 3.74Å; L203-Y211 HydrophobicContact CD2-CD2 4.49Å; L203-Y211 HydrophobicContact CD2-CE2 4.38Å; L203-Y211 HydrophobicContact CG-CD2 4.38Å; L203-Y211 HydrophobicContact CG-CE2 4.23Å; L203-Y211 WeakPolarHBondContact O-CB 3.32Å; L203-Y211 PolarHBondContact O-N 3.16Å; L203-Y211 VanDerWaalsContact O-N 3.15Å; L203-P212 VanDerWaalsContact O-CD 3.22Å; L203-P212 WeakPolarHBondContact O-CD 3.25Å
204F92.5Very high91.1Very high23 Ų2360.4 Ų60.410%0.10133%0.325CS..Iπ-helixtrans-137.5-29.9-177.1-74-71.8000116.8W158 R159 F162 F200 Y211W158-F204 HydrophobicContact CB-CE1 4.45Å; W158-F204 HydrophobicContact CB-CZ 4.25Å; R159-F204 HydrophobicContact CB-CE1 4.31Å; R159-F204 HydrophobicContact CB-CZ 4.37Å; R159-F204 HydrophobicContact CG-CD1 4.06Å; R159-F204 HydrophobicContact CG-CE1 3.44Å; R159-F204 VanDerWaalsContact CG-CE1 3.44Å; R159-F204 HydrophobicContact CG-CZ 3.98Å; F162-F204 HydrophobicContact CB-CE2 3.46Å; F162-F204 VanDerWaalsContact CB-CE2 3.46Å; F162-F204 HydrophobicContact CB-CZ 3.9Å; F162-F204 AromaticContact CD1-CD2 3.88Å; F162-F204 HydrophobicContact CD1-CD2 3.88Å; F162-F204 AromaticContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD1-CE2 3.47Å; F162-F204 VanDerWaalsContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD2-CE2 4.19Å; F162-F204 HydrophobicContact CE1-CD2 4.24Å; F162-F204 HydrophobicContact CE1-CE2 4.24Å; F162-F204 HydrophobicContact CG-CD2 4.23Å; F162-F204 AromaticContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CE2 3.44Å; F162-F204 VanDerWaalsContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CZ 4.37Å; F200-F204 HydrophobicContact CD2-CB 4.37Å; F200-F204 HydrophobicContact CD2-CD2 4.31Å; F200-F204 HydrophobicContact CE2-CB 4.16Å; F200-F204 PolarHBondContact O-N 3.41Å; F204-Y211 HydrophobicContact CD2-CD2 4.19Å; F204-Y211 HydrophobicContact CE1-CD2 4.05Å; F204-Y211 HydrophobicContact CE1-CG 4.4Å; F204-Y211 AromaticContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CD2 3.41Å; F204-Y211 VanDerWaalsContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CE2 4.01Å; F204-Y211 HydrophobicContact CE2-CG 4.47Å; F204-Y211 AromaticContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CE2 4.16Å; F204-Y211 HydrophobicContact CZ-CG 4.06Å
205A91Very high91.6Very high52 Ų5257 Ų5743%0.4331%0.312SS..Iπ-helixtrans-106.6-20.2-164.200000114.7F200 Y201F200-A205 HydrophobicContact CD1-CB 4.25Å; F200-A205 HydrophobicContact CE1-CB 3.9Å; F200-A205 PolarHBondContact O-N 3.02Å; Y201-A205 HydrophobicContact CD2-CB 4.11Å; Y201-A205 PolarHBondContact O-N 2.88Å
206S92.1Very high92.1Very high27 Ų2758.1 Ų58.119%0.18931%0.313CS..SBendtrans-74.4158.7173.465.60000111.9Y201 D208 A209Y201-S206 PolarHBondContact O-N 2.91Å; Y201-S206 PolarHBondContact O-OG 3.12Å; S206-D208 PolarHBondContact O-N 2.77Å; S206-A209 WeakPolarHBondContact O-CB 3.19Å; S206-A209 PolarHBondContact O-N 2.97Å; S206-A209 VanDerWaalsContact O-N 3.11Å; S206-A209 WeakPolarHBondContact OG-CA 3.43Å; S206-A209 PolarHBondContact OG-N 3.11Å
207D88.7Confident92.4Very high173 Ų17362.7 Ų62.793%0.92533%0.334SS*.THydrogen-bonded Turntrans-62.4-29.2176-69.1-30.5000112.1
208D88.6Confident92.8Very high154 Ų15463.3 Ų63.382%0.82434%0.342SS*.THydrogen-bonded Turntrans-99.624.9177.2-61-46.4000112.5S206 Y210S206-D208 PolarHBondContact O-N 2.77Å; D208-Y210 PolarHBondContact O-N 2.8Å
209A92.9Very high93.2Very high6 Ų661 Ų615%0.0533%0.329CS..  trans-59.3131.7-175.100000112.7Q202 S206 P212Q202-A209 WeakPolarHBondContact O-CA 3.32Å; S206-A209 WeakPolarHBondContact O-CB 3.19Å; S206-A209 PolarHBondContact O-N 2.97Å; S206-A209 VanDerWaalsContact O-N 3.11Å; S206-A209 WeakPolarHBondContact OG-CA 3.43Å; S206-A209 PolarHBondContact OG-N 3.11Å; A209-P212 HydrophobicContact CB-CG 3.96Å; A209-P212 WeakPolarHBondContact O-CD 3.33Å
210Y93Very high93.3Very high24 Ų2465.8 Ų65.89%0.09437%0.369CS..THydrogen-bonded Turntrans-71.9-44.9-169.5-176.3-127.4000114.5A11 T14 H27 Q202 L203 D208 T213 L214A11-Y210 HydrophobicContact CB-CE1 3.87Å; T14-Y210 HydrophobicContact CG2-CD1 4Å; T14-Y210 HydrophobicContact CG2-CE1 4.33Å; H27-Y210 HydrophobicContact CB-CD2 4.43Å; H27-Y210 HydrophobicContact CB-CE1 3.93Å; H27-Y210 HydrophobicContact CB-CE2 3.83Å; H27-Y210 AromaticContact CD2-CD1 3.98Å; H27-Y210 AromaticContact CD2-CD2 3.54Å; H27-Y210 AromaticContact CD2-CE2 3.84Å; H27-Y210 AromaticContact CD2-CG 3.63Å; H27-Y210 AromaticContact CG-CD1 3.97Å; H27-Y210 AromaticContact CG-CE1 3.85Å; H27-Y210 AromaticContact CG-CE2 3.97Å; H27-Y210 AromaticContact CG-CZ 3.85Å; H27-Y210 AromaticContact NE2-CG 3.83Å; Q202-Y210 PolarHBondContact O-N 3.32Å; L203-Y210 HydrophobicContact CD2-CD1 4.42Å; D208-Y210 PolarHBondContact O-N 2.8Å; Y210-T213 PolarHBondContact O-N 3.04Å; Y210-T213 VanDerWaalsContact O-N 3.16Å; Y210-T213 PolarHBondContact O-OG1 2.96Å; Y210-L214 HydrophobicContact CD1-CD1 4.25Å; Y210-L214 HydrophobicContact CE1-CD1 3.73Å; Y210-L214 HydrophobicContact CE2-CD1 4.17Å; Y210-L214 HydrophobicContact CE2-CD2 4.5Å; Y210-L214 HydrophobicContact CE2-CG 4.46Å
211Y95.2Very high93.5Very high3 Ų368.7 Ų68.71%0.01238%0.379CS..G310 helixtrans-67.4-36.1-175.4-72.4-36.4000115.1A11 P15 W158 F162 L203 F204 T213 L214A11-Y211 HydrophobicContact CB-CE1 4.12Å; A11-Y211 WeakPolarHBondContact O-CE1 3.35Å; A11-Y211 PolarHBondContact O-OH 2.91Å; P15-Y211 VanDerWaalsContact CD-OH 3.27Å; P15-Y211 WeakPolarHBondContact CD-OH 3.26Å; P15-Y211 WeakPolarHBondContact CG-OH 3.27Å; W158-Y211 HydrophobicContact CB-CD1 4.42Å; W158-Y211 HydrophobicContact CB-CD2 4.42Å; W158-Y211 HydrophobicContact CB-CG 4.07Å; W158-Y211 AromaticContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CE1 4.15Å; W158-Y211 HydrophobicContact CD2-CG 4.45Å; W158-Y211 AromaticContact CE3-CD1 3.91Å; W158-Y211 HydrophobicContact CE3-CD1 3.91Å; W158-Y211 AromaticContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CG-CD1 4.15Å; W158-Y211 HydrophobicContact CG-CG 4.25Å; W158-Y211 AromaticContact CZ3-CE1 3.97Å; W158-Y211 HydrophobicContact CZ3-CE1 3.97Å; F162-Y211 HydrophobicContact CB-CE2 4.26Å; F162-Y211 HydrophobicContact CD2-CE2 4Å; F162-Y211 HydrophobicContact CG-CE2 4.41Å; L203-Y211 HydrophobicContact CB-CD2 3.66Å; L203-Y211 HydrophobicContact CB-CE2 3.94Å; L203-Y211 HydrophobicContact CB-CG 4.42Å; L203-Y211 HydrophobicContact CD1-CD2 4.35Å; L203-Y211 HydrophobicContact CD1-CE2 3.74Å; L203-Y211 HydrophobicContact CD2-CD2 4.49Å; L203-Y211 HydrophobicContact CD2-CE2 4.38Å; L203-Y211 HydrophobicContact CG-CD2 4.38Å; L203-Y211 HydrophobicContact CG-CE2 4.23Å; L203-Y211 WeakPolarHBondContact O-CB 3.32Å; L203-Y211 PolarHBondContact O-N 3.16Å; L203-Y211 VanDerWaalsContact O-N 3.15Å; F204-Y211 HydrophobicContact CD2-CD2 4.19Å; F204-Y211 HydrophobicContact CE1-CD2 4.05Å; F204-Y211 HydrophobicContact CE1-CG 4.4Å; F204-Y211 AromaticContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CD2 3.41Å; F204-Y211 VanDerWaalsContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CE2 4.01Å; F204-Y211 HydrophobicContact CE2-CG 4.47Å; F204-Y211 AromaticContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CE2 4.16Å; F204-Y211 HydrophobicContact CZ-CG 4.06Å; Y211-T213 PolarHBondContact O-N 3.41Å; Y211-T213 VanDerWaalsContact O-N 3.14Å; Y211-L214 HydrophobicContact CD1-CD1 4.31Å; Y211-L214 PolarHBondContact O-N 3.06Å
212P94Very high93.7Very high79 Ų7964.7 Ų64.751%0.51336%0.363SS..G310 helixtrans-55.2-24.7171.2-30.536.5000114.8L203 A209 L214L203-P212 VanDerWaalsContact O-CD 3.22Å; L203-P212 WeakPolarHBondContact O-CD 3.25Å; A209-P212 HydrophobicContact CB-CG 3.96Å; A209-P212 WeakPolarHBondContact O-CD 3.33Å; P212-L214 VanDerWaalsContact C-N 3.28Å; P212-L214 PolarHBondContact O-N 3.14Å
213T93.5Very high93.7Very high103 Ų10363 Ų6363%0.63236%0.359SS*.G310 helixtrans-81.5-5.3178.575.70000113.5Y210 Y211Y210-T213 PolarHBondContact O-N 3.04Å; Y210-T213 VanDerWaalsContact O-N 3.16Å; Y210-T213 PolarHBondContact O-OG1 2.96Å; Y211-T213 PolarHBondContact O-N 3.41Å; Y211-T213 VanDerWaalsContact O-N 3.14Å
214L94.7Very high93.7Very high23 Ų2366.5 Ų66.512%0.1239%0.388CS..SBendtrans-115.1136.1-172.8-61.9177.2000112.5A11 W158 Y210 Y211 P212A11-L214 HydrophobicContact CB-CD1 3.34Å; W158-L214 HydrophobicContact CZ2-CD1 4.46Å; W158-L214 PolarHBondContact NE1-O 2.78Å; Y210-L214 HydrophobicContact CD1-CD1 4.25Å; Y210-L214 HydrophobicContact CE1-CD1 3.73Å; Y210-L214 HydrophobicContact CE2-CD1 4.17Å; Y210-L214 HydrophobicContact CE2-CD2 4.5Å; Y210-L214 HydrophobicContact CE2-CG 4.46Å; Y211-L214 HydrophobicContact CD1-CD1 4.31Å; Y211-L214 PolarHBondContact O-N 3.06Å; P212-L214 VanDerWaalsContact C-N 3.28Å; P212-L214 PolarHBondContact O-N 3.14Å
215S93.8Very high94Very high72 Ų7267.4 Ų67.450%0.50340%0.397SS..  trans-77.3139.9170.9-63.20000111.4
216W96.3Very high94.2Very high48 Ų4865.5 Ų65.518%0.18238%0.38CS..  trans-91.597.7167.2-175.6-91.8000109.5A151 L152 Y155 W158 Y161A151-W216 HydrophobicContact CB-CH2 3.92Å; A151-W216 HydrophobicContact CB-CZ2 4.31Å; L152-W216 HydrophobicContact CD2-CD2 4.49Å; L152-W216 HydrophobicContact CD2-CZ2 4.32Å; Y155-W216 VanDerWaalsContact O-CE2 3.29Å; Y155-W216 VanDerWaalsContact O-CZ2 3.26Å; Y155-W216 WeakPolarHBondContact O-CZ2 3.44Å; Y155-W216 PolarHBondContact O-NE1 3.48Å; W158-W216 AromaticContact CD2-CE3 3.55Å; W158-W216 HydrophobicContact CD2-CE3 3.55Å; W158-W216 AromaticContact CD2-CZ3 3.84Å; W158-W216 HydrophobicContact CD2-CZ3 3.84Å; W158-W216 AromaticContact CE2-CE3 3.71Å; W158-W216 AromaticContact CE3-CE3 3.83Å; W158-W216 HydrophobicContact CE3-CE3 3.83Å; W158-W216 AromaticContact CE3-CZ3 3.58Å; W158-W216 HydrophobicContact CE3-CZ3 3.58Å; W158-W216 AromaticContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CZ3 4.49Å; W158-W216 HydrophobicContact CH2-CE3 4.34Å; W158-W216 HydrophobicContact CH2-CZ3 4.14Å; W158-W216 HydrophobicContact CZ2-CE3 4.11Å; W158-W216 HydrophobicContact CZ2-CZ3 4.38Å; W158-W216 HydrophobicContact CZ3-CE3 4.21Å; W158-W216 AromaticContact CZ3-CZ3 3.75Å; W158-W216 HydrophobicContact CZ3-CZ3 3.75Å; Y161-W216 AromaticContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CZ3 4.22Å; Y161-W216 AromaticContact CG-CH2 3.88Å; Y161-W216 HydrophobicContact CG-CH2 3.88Å; Y161-W216 AromaticContact CG-CZ3 3.93Å; Y161-W216 HydrophobicContact CG-CZ3 3.93Å
217Q95.8Very high94.5Very high99 Ų9970.7 Ų70.746%0.46340%0.401SS..  trans-156156-175.361.8-175.7-15.200111.8I8 H148I8-Q217 HydrophobicContact CD1-CG 4.47Å; H148-Q217 PolarHBondContact CE1-O 3.16Å; H148-Q217 PolarHBondContact NE2-O 2.79Å
218P97.3Very high94.9Very high88 Ų8866.7 Ų66.757%0.57138%0.383SS*.  trans-54.8148.8167.3-21.732.5000112.5L152 Y222L152-P218 HydrophobicContact CD1-CB 4.17Å; L152-P218 HydrophobicContact CD1-CG 4.13Å; P218-Y222 WeakPolarHBondContact CA-OH 3.49Å
219L97Very high95.2Very high12 Ų1259.5 Ų59.56%0.06334%0.344CS..  trans-71.5150.8171.5-54-174.9000110.4M1 I8 L9 Y221 Y222M1-L219 HydrophobicContact CE-CD1 4.1Å; M1-L219 HydrophobicContact SD-CD1 4.42Å; I8-L219 HydrophobicContact CB-CD2 4.1Å; I8-L219 HydrophobicContact CD1-CD2 4.12Å; I8-L219 HydrophobicContact CG2-CD2 3.95Å; L9-L219 HydrophobicContact CD1-CD1 4.1Å; L9-L219 HydrophobicContact CD2-CD1 3.88Å; L9-L219 HydrophobicContact CG-CD1 4.02Å; L219-Y221 PolarHBondContact O-N 2.89Å; L219-Y222 HydrophobicContact CB-CD2 4.19Å; L219-Y222 HydrophobicContact CB-CE1 4.21Å; L219-Y222 HydrophobicContact CB-CE2 3.71Å; L219-Y222 HydrophobicContact CD1-CD1 4.26Å; L219-Y222 HydrophobicContact CD1-CE1 3.94Å; L219-Y222 HydrophobicContact CG-CE1 3.95Å; L219-Y222 HydrophobicContact CG-CE2 4.29Å; L219-Y222 PolarHBondContact N-OH 3.1Å; L219-Y222 WeakPolarHBondContact O-CE2 3.48Å
220A94.6Very high95.2Very high102 Ų10264.3 Ų64.384%0.84336%0.364SS*.SBendtrans-63.7-31.5174.400000112.3
221Y94.9Very high95Very high145 Ų14570.7 Ų70.757%0.56940%0.4SS*.  trans-146.1129.6179179.6-99.3000111L219L219-Y221 PolarHBondContact O-N 2.89Å
222Y96.1Very high94.8Very high56 Ų5671.2 Ų71.222%0.2240%0.403CS..  trans-104.5122.2170.8-69.1-95.6000108.5H148 L149 L152 P218 L219H148-Y222 PolarHBondContact CE1-OH 3.49Å; H148-Y222 AromaticContact ND1-CE1 3.91Å; H148-Y222 AromaticContact ND1-CZ 3.92Å; H148-Y222 PolarHBondContact ND1-OH 3.39Å; H148-Y222 VanDerWaalsContact ND1-OH 3.16Å; L149-Y222 HydrophobicContact CD1-CD1 3.9Å; L149-Y222 HydrophobicContact CD1-CE1 3.99Å; L149-Y222 HydrophobicContact CD1-CG 4.44Å; L149-Y222 HydrophobicContact CD2-CD1 4.24Å; L149-Y222 HydrophobicContact CD2-CD2 4.5Å; L149-Y222 HydrophobicContact CD2-CE1 3.64Å; L149-Y222 HydrophobicContact CD2-CE2 3.92Å; L149-Y222 VanDerWaalsContact CD2-CZ 3.45Å; L149-Y222 HydrophobicContact CG-CD1 3.95Å; L149-Y222 HydrophobicContact CG-CE1 3.49Å; L149-Y222 VanDerWaalsContact CG-CE1 3.49Å; L152-Y222 WeakPolarHBondContact CD1-OH 3.33Å; P218-Y222 WeakPolarHBondContact CA-OH 3.49Å; L219-Y222 HydrophobicContact CB-CD2 4.19Å; L219-Y222 HydrophobicContact CB-CE1 4.21Å; L219-Y222 HydrophobicContact CB-CE2 3.71Å; L219-Y222 HydrophobicContact CD1-CD1 4.26Å; L219-Y222 HydrophobicContact CD1-CE1 3.94Å; L219-Y222 HydrophobicContact CG-CE1 3.95Å; L219-Y222 HydrophobicContact CG-CE2 4.29Å; L219-Y222 PolarHBondContact N-OH 3.1Å; L219-Y222 WeakPolarHBondContact O-CE2 3.48Å
223S92.3Very high94.5Very high34 Ų3471 Ų7124%0.23840%0.404CS..PPolyproline II helixtrans-61.9149.7179.7-60.30000111.9
224A94.6Very high94.2Very high74 Ų7471 Ų7161%0.61240%0.399SS*.PPolyproline II helixtrans-62.2156.6168.800000111.1W142 P226W142-A224 VanDerWaalsContact CD1-O 3.3Å; A224-P226 WeakPolarHBondContact O-CD 3.49Å
225C97.2Very high93.7Very high41 Ų4170 Ų7028%0.27739%0.394SS..PPolyproline II helixtrans-61.6124.1175-174.30000110.5W142 L229W142-C225 HydrophobicContact CH2-CB 4.46Å; W142-C225 HydrophobicContact CZ2-CB 3.64Å; W142-C225 WeakPolarHBondContact CZ2-SG 3.17Å; W142-C225 VanDerWaalsContact NE1-CA 3.28Å; C225-L229 PolarHBondContact SG-O 3.39Å; C225-L229 VanDerWaalsContact SG-O 3.42Å
226P96.9Very high93.7Very high12 Ų1269.9 Ų69.98%0.07839%0.388CS..PPolyproline II helixtrans-59.4144.2172.1-23.834.5000111.1E138 E139 W142 A224 T228 L229 K230E138-P226 HydrophobicContact CG-CG 4.2Å; E139-P226 HydrophobicContact CG-CB 4.43Å; E139-P226 HydrophobicContact CG-CG 4.49Å; W142-P226 HydrophobicContact CB-CG 4.07Å; W142-P226 VanDerWaalsContact CG-CD 3.44Å; W142-P226 HydrophobicContact CG-CG 4.26Å; A224-P226 WeakPolarHBondContact O-CD 3.49Å; P226-T228 PolarHBondContact O-N 3.12Å; P226-T228 VanDerWaalsContact O-N 3.12Å; P226-L229 PolarHBondContact O-N 2.89Å; P226-K230 PolarHBondContact O-N 3.26Å
227E96.8Very high93.6Very high137 Ų13771 Ų7164%0.6440%0.399SS*.G310 helixtrans-54.1-34177.9-72.4-70.6132.400112.7L229 K230E227-L229 PolarHBondContact O-N 3.22Å; E227-K230 WeakPolarHBondContact O-CG 3.29Å; E227-K230 PolarHBondContact O-N 3.35Å; E227-K230 WeakPolarHBondContact OE1-CE 3.47Å; E227-K230 IonicContact OE1-NZ 2.63Å; E227-K230 PolarHBondContact OE1-NZ 3.45Å; E227-K230 WeakPolarHBondContact OE2-CE 3.49Å; E227-K230 IonicContact OE2-NZ 3.6Å; E227-K230 PolarHBondContact OE2-NZ 3.27Å
228T96.8Very high93.4Very high88 Ų8869.4 Ų69.454%0.5440%0.396SS..G310 helixtrans-74.5-7.8179.956.60000114.5R50 E139 P226R50-T228 PolarHBondContact NH2-O 2.89Å; E139-T228 VanDerWaalsContact CD-OG1 3.31Å; E139-T228 VanDerWaalsContact OE1-CB 3.25Å; E139-T228 WeakPolarHBondContact OE1-CB 3.26Å; E139-T228 PolarHBondContact OE1-OG1 3.35Å; P226-T228 PolarHBondContact O-N 3.12Å; P226-T228 VanDerWaalsContact O-N 3.12Å
229L96.3Very high93.2Very high3 Ų368.4 Ų68.42%0.01639%0.386CS..G310 helixtrans-122.519.6178.5-63.7-177.1000112.5L54 E139 W142 I143 C225 P226 E227 D231 M232L54-L229 HydrophobicContact CD1-CD2 3.85Å; L54-L229 HydrophobicContact CD2-CD2 3.74Å; L54-L229 HydrophobicContact CG-CD2 4.48Å; E139-L229 HydrophobicContact CB-CD1 3.75Å; E139-L229 HydrophobicContact CB-CG 4.37Å; E139-L229 HydrophobicContact CG-CD1 3.8Å; E139-L229 HydrophobicContact CG-CD2 4.49Å; E139-L229 HydrophobicContact CG-CG 3.92Å; W142-L229 HydrophobicContact CE3-CB 4.33Å; W142-L229 HydrophobicContact CE3-CD1 3.57Å; W142-L229 HydrophobicContact CZ3-CB 4.19Å; W142-L229 HydrophobicContact CZ3-CD1 4.04Å; I143-L229 HydrophobicContact CD1-CD1 4.07Å; I143-L229 HydrophobicContact CG1-CD1 3.96Å; C225-L229 PolarHBondContact SG-O 3.39Å; C225-L229 VanDerWaalsContact SG-O 3.42Å; P226-L229 PolarHBondContact O-N 2.89Å; E227-L229 PolarHBondContact O-N 3.22Å; L229-D231 PolarHBondContact O-N 3.3Å; L229-M232 HydrophobicContact CB-CB 4.42Å; L229-M232 HydrophobicContact CD2-CG 4.44Å; L229-M232 WeakPolarHBondContact O-CA 3.48Å; L229-M232 WeakPolarHBondContact O-CB 3.39Å; L229-M232 PolarHBondContact O-N 2.71Å
230K92.1Very high93Very high107 Ų10771.9 Ų71.947%0.46541%0.406SS..G310 helixtrans-54-37178.8-84.7178158.7176.30114P226 E227 M232 S233P226-K230 PolarHBondContact O-N 3.26Å; E227-K230 WeakPolarHBondContact O-CG 3.29Å; E227-K230 PolarHBondContact O-N 3.35Å; E227-K230 WeakPolarHBondContact OE1-CE 3.47Å; E227-K230 IonicContact OE1-NZ 2.63Å; E227-K230 PolarHBondContact OE1-NZ 3.45Å; E227-K230 WeakPolarHBondContact OE2-CE 3.49Å; E227-K230 IonicContact OE2-NZ 3.6Å; E227-K230 PolarHBondContact OE2-NZ 3.27Å; K230-M232 PolarHBondContact O-N 3.37Å; K230-S233 WeakPolarHBondContact O-CB 3.39Å; K230-S233 PolarHBondContact O-N 3.18Å; K230-S233 VanDerWaalsContact O-N 3.09Å; K230-S233 PolarHBondContact O-OG 3.43Å
231D89.9Confident92.9Very high159 Ų15969.9 Ų69.985%0.8538%0.377SS*.G310 helixtrans-70.9-10.6178.2-60.8-29.1000113.1L229L229-D231 PolarHBondContact O-N 3.3Å
232M89.6Confident92.7Very high14 Ų1464.5 Ų64.57%0.06936%0.363CS..G310 helixtrans-103.39174.6-57.6-74.5-72.200111.8L54 I57 H58 W142 L229 K230 D234 L235L54-M232 HydrophobicContact CB-SD 4.4Å; L54-M232 HydrophobicContact CD2-CE 4.4Å; L54-M232 WeakPolarHBondContact O-CE 3.27Å; I57-M232 HydrophobicContact CG2-CE 4.38Å; H58-M232 HydrophobicContact CB-CE 3.55Å; H58-M232 HydrophobicContact CB-SD 3.75Å; H58-M232 VanDerWaalsContact CD2-SD 3.56Å; W142-M232 HydrophobicContact CH2-CB 4.44Å; W142-M232 WeakPolarHBondContact CH2-O 3.38Å; W142-M232 HydrophobicContact CZ3-CB 4.19Å; L229-M232 HydrophobicContact CB-CB 4.42Å; L229-M232 HydrophobicContact CD2-CG 4.44Å; L229-M232 WeakPolarHBondContact O-CA 3.48Å; L229-M232 WeakPolarHBondContact O-CB 3.39Å; L229-M232 PolarHBondContact O-N 2.71Å; K230-M232 PolarHBondContact O-N 3.37Å; M232-D234 PolarHBondContact O-N 3.13Å; M232-L235 HydrophobicContact CE-CD1 3.65Å; M232-L235 WeakPolarHBondContact O-CB 3.38Å; M232-L235 PolarHBondContact O-N 3.29Å
233S88.2Confident92.5Very high75 Ų7565.2 Ų65.252%0.52437%0.374SS..THydrogen-bonded Turntrans-62.6-14.7-169.555.20000115.3K230 L235K230-S233 WeakPolarHBondContact O-CB 3.39Å; K230-S233 PolarHBondContact O-N 3.18Å; K230-S233 VanDerWaalsContact O-N 3.09Å; K230-S233 PolarHBondContact O-OG 3.43Å; S233-L235 VanDerWaalsContact C-N 3.34Å
234D87Confident92.5Very high102 Ų10267.8 Ų67.855%0.54539%0.385SS..THydrogen-bonded Turntrans-82.5-7.7174.165.4-25.6000114.2H58 R150 M232H58-D234 IonicContact CD2-OD1 2.68Å; H58-D234 IonicContact CE1-OD1 3.49Å; H58-D234 IonicContact CE1-OD2 3.54Å; H58-D234 IonicContact NE2-OD1 3.89Å; H58-D234 PolarHBondContact NE2-OD1 3.11Å; H58-D234 IonicContact NE2-OD2 3.71Å; H58-D234 PolarHBondContact NE2-OD2 3.21Å; R150-D234 PolarHBondContact NH2-O 3.25Å; M232-D234 PolarHBondContact O-N 3.13Å
235L84.5Confident92.3Very high1 Ų167.2 Ų67.21%0.00537%0.365CS..  trans-58.50179.5-154.6104.7000113.8I57 M122 W142 I143 R146 R150 M232 S233I57-L235 HydrophobicContact CG2-CD1 4.33Å; M122-L235 HydrophobicContact CE-CD1 4.44Å; M122-L235 HydrophobicContact CE-CD2 4.43Å; W142-L235 HydrophobicContact CH2-CB 4.26Å; I143-L235 HydrophobicContact CG2-CD2 3.94Å; R146-L235 HydrophobicContact CB-CB 4.41Å; R146-L235 HydrophobicContact CB-CD2 3.64Å; R146-L235 HydrophobicContact CB-CG 4.35Å; R146-L235 HydrophobicContact CG-CB 4.37Å; R146-L235 HydrophobicContact CG-CD2 4.06Å; R146-L235 PolarHBondContact NE-O 3.16Å; R146-L235 PolarHBondContact NH2-O 2.91Å; R150-L235 PolarHBondContact NE-OXT 3.41Å; R150-L235 PolarHBondContact NH2-OXT 3.45Å; M232-L235 HydrophobicContact CE-CD1 3.65Å; M232-L235 WeakPolarHBondContact O-CB 3.38Å; M232-L235 PolarHBondContact O-N 3.29Å; S233-L235 VanDerWaalsContact C-N 3.34Å

Retrieved 235 of 235 residues in 364.9 ms (Link to these results)

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