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Microtubule-associated protein RP/EB family member 3

Plus-end tracking protein (+TIP) that binds to the plus-end of microtubules and regulates the dynamics of the microtubule cytoskeleton. Promotes microtubule growth. May be involved in spindle function by stabilizing microtubules and anchoring them at centrosomes. Also acts as a regulator of minus-end microtubule organization: interacts with the complex formed by AKAP9 and PDE4DIP, leading to recruit CAMSAP2 to the Golgi apparatus, thereby tethering non-centrosomal minus-end microtubules to the Golgi, an important step for polarized cell movement. Promotes elongation of CAMSAP2-decorated microtubule stretches on the minus-end of microtubules.

AlphaFold DB , UniProt , Accession A0A060W2X5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497601, Length 277 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
1M88.1Confident75.8Confident175 Ų17593.4 Ų93.486%0.86258%0.575SS**  0148.60-61.3-58.9-90.100107.3M85M1-M85 CarbonylContact C-O 3.58Å; M1-M85 VanDerWaalsContact CA-O 3.26Å; M1-M85 WeakPolarHBondContact CA-O 3.49Å
2A95.7Very high74.1Confident13 Ų1392 Ų9211%0.10757%0.57CS.*PPolyproline II helixtrans-78.9153.9174.800000111.1F52 M85 V87 F114 N118A2-F52 HydrophobicContact CB-CE1 4.36Å; A2-F52 HydrophobicContact CB-CE2 3.93Å; A2-F52 HydrophobicContact CB-CZ 3.52Å; A2-M85 HydrophobicContact CB-CB 4.17Å; A2-M85 PolarHBondContact N-O 3.34Å; A2-V87 HydrophobicContact CB-CG2 3.84Å; A2-F114 HydrophobicContact CB-CE2 3.83Å; A2-F114 HydrophobicContact CB-CZ 3.82Å; A2-N118 WeakPolarHBondContact CA-OD1 3.34Å
3V96.1Very high73.6Confident83 Ų8396.9 Ų96.950%0.50359%0.591SS.*PPolyproline II helixtrans-78.6117.9165.4-177.90000107.7F114 A117 N118V3-F114 WeakPolarHBondContact O-CE2 3.49Å; V3-A117 HydrophobicContact CG1-CB 4.41Å; V3-N118 PolarHBondContact N-OD1 2.92Å; V3-N118 PolarHBondContact O-ND2 3.41Å
4N95.1Very high74Confident46 Ų4696.3 Ų96.325%0.24659%0.587CS.*PPolyproline II helixtrans-78.2148.4174.3-74.4-54.2000110.7G86 V87 D88N4-G86 PolarHBondContact ND2-O 2.81Å; N4-V87 VanDerWaalsContact OD1-CA 3.26Å; N4-V87 WeakPolarHBondContact OD1-CA 3.43Å; N4-D88 PolarHBondContact OD1-N 2.66Å; N4-D88 PolarHBondContact OD1-OD1 3.37Å
5V92.3Very high75Confident26 Ų2693.5 Ų93.516%0.15857%0.567CS.*  trans-126.1136.9175.5-56.50000110.1W110 K113 F114 A117V5-W110 HydrophobicContact CG2-CZ2 4.41Å; V5-W110 PolarHBondContact O-NE1 3.42Å; V5-K113 HydrophobicContact CG2-CB 4.16Å; V5-F114 HydrophobicContact CG2-CB 3.83Å; V5-A117 HydrophobicContact CG1-CB 3.56Å
6H84.4Confident76.1Confident124 Ų12490.8 Ų90.857%0.57455%0.554SS**  trans-117.9156.7179.7-52.6-65.4000109.9T8 D88H6-T8 VanDerWaalsContact C-N 3.27Å; H6-T8 PolarHBondContact O-N 2.87Å; H6-D88 IonicContact CE1-OD1 2.72Å; H6-D88 IonicContact CE1-OD2 3.49Å; H6-D88 PolarHBondContact CE1-OD2 2.68Å
7A67.1Low77.2Confident109 Ų10992.6 Ų92.690%0.90155%0.548SS*.  trans-76.381.1173.100000109.7
8T58.4Low78.1Confident102 Ų10293.9 Ų93.963%0.62655%0.547SS*.  trans-85146.6162.351.20000109.1H6 V10H6-T8 VanDerWaalsContact C-N 3.27Å; H6-T8 PolarHBondContact O-N 2.87Å; T8-V10 PolarHBondContact O-N 3.38Å
9S52.7Low79.1Confident136 Ų13693.4 Ų93.495%0.95154%0.542SS*.SBendtrans-70.418-177430000114.7
10V55.2Low80.1Confident100 Ų10088.9 Ų88.961%0.60652%0.516SS*.SBendtrans-80.6124.8173.9-169.20000108.2T8 C12T8-V10 PolarHBondContact O-N 3.38Å; V10-C12 VanDerWaalsContact C-N 3.31Å; V10-C12 PolarHBondContact O-N 3.34Å
11S49Very low80.9Confident113 Ų11385.2 Ų85.279%0.7949%0.494SS*.  trans-68.377.4-173.740.40000113.1
12C55.2Low81.4Confident77 Ų7779 Ų7952%0.5247%0.47SS..  trans-84.4114.4155.9-61.90000108.2V10 T14 K113V10-C12 VanDerWaalsContact C-N 3.31Å; V10-C12 PolarHBondContact O-N 3.34Å; C12-T14 PolarHBondContact O-N 2.96Å; C12-K113 PolarHBondContact O-NZ 3.18Å; C12-K113 VanDerWaalsContact O-NZ 3.14Å
13D68Low81.5Confident156 Ų15680 Ų8083%0.83447%0.471SS*.  trans-45118.5-176-62.6-45.7000112L15D13-L15 PolarHBondContact O-N 3.31Å
14T78.4Confident81.5Confident88 Ų8876 Ų7654%0.5445%0.447SS..  trans-77.6108.9176.348.80000108.9C12C12-T14 PolarHBondContact O-N 2.96Å
15L89.2Confident81.6Confident55 Ų5575.4 Ų75.429%0.28844%0.444SS..  trans-49.2140175.9-69.2176.2000111.9D13 D19 M20 K112D13-L15 PolarHBondContact O-N 3.31Å; L15-D19 HydrophobicContact CB-CB 4.33Å; L15-D19 HydrophobicContact CD2-CB 3.93Å; L15-M20 HydrophobicContact CB-CE 4Å; L15-M20 HydrophobicContact CD1-CE 4.13Å; L15-M20 HydrophobicContact CD1-SD 4.34Å; L15-K112 HydrophobicContact CD1-CD 4.34Å; L15-K112 HydrophobicContact CD1-CG 3.9Å
16S92.8Very high81.9Confident50 Ų5079.8 Ų79.835%0.3547%0.467SS..  trans-66.4166.1172.485.10000111H18 D19 M20S16-H18 PolarHBondContact O-N 3.12Å; S16-H18 PolarHBondContact OG-N 3.02Å; S16-D19 WeakPolarHBondContact CB-OD2 3.45Å; S16-D19 PolarHBondContact N-OD2 2.8Å; S16-D19 PolarHBondContact O-N 2.86Å; S16-D19 VanDerWaalsContact OG-CG 3.25Å; S16-D19 PolarHBondContact OG-N 3.39Å; S16-D19 PolarHBondContact OG-OD2 2.9Å; S16-M20 VanDerWaalsContact O-CB 3.29Å; S16-M20 WeakPolarHBondContact O-CB 3.29Å; S16-M20 PolarHBondContact O-N 2.88Å
17R94.1Very high82.5Confident121 Ų12175.5 Ų75.546%0.45745%0.45SS..Hα-helixtrans-52.5-38.5172174.4178.758122.4-2.3112.5L21 I35 F101 F105R17-L21 HydrophobicContact CG-CD1 4.41Å; R17-L21 WeakPolarHBondContact O-CG 3.37Å; R17-L21 PolarHBondContact O-N 2.89Å; R17-I35 HydrophobicContact CG-CG1 4.05Å; R17-F101 HydrophobicContact CG-CE2 4.17Å; R17-F101 HydrophobicContact CG-CZ 4.46Å; R17-F105 HydrophobicContact CB-CE2 4.46Å
18H94.9Very high83.9Confident117 Ų11770.3 Ų70.354%0.54241%0.408SS..Hα-helixtrans-74.4-46.6-177-62.3116.6000111.3S16 M20 L21 A22S16-H18 PolarHBondContact O-N 3.12Å; S16-H18 PolarHBondContact OG-N 3.02Å; H18-M20 VanDerWaalsContact C-N 3.29Å; H18-M20 PolarHBondContact O-N 2.84Å; H18-L21 PolarHBondContact O-N 3.08Å; H18-L21 VanDerWaalsContact O-N 3.14Å; H18-A22 PolarHBondContact O-N 3.12Å
19D97Very high85.7Confident84 Ų8470.5 Ų70.545%0.44940%0.401SS..Hα-helixtrans-66.2-35.2179.7-45.6-52.5000111.4L15 S16 A22 W23L15-D19 HydrophobicContact CB-CB 4.33Å; L15-D19 HydrophobicContact CD2-CB 3.93Å; S16-D19 WeakPolarHBondContact CB-OD2 3.45Å; S16-D19 PolarHBondContact N-OD2 2.8Å; S16-D19 PolarHBondContact O-N 2.86Å; S16-D19 VanDerWaalsContact OG-CG 3.25Å; S16-D19 PolarHBondContact OG-N 3.39Å; S16-D19 PolarHBondContact OG-OD2 2.9Å; D19-A22 PolarHBondContact O-N 3.29Å; D19-W23 WeakPolarHBondContact O-CB 3.24Å; D19-W23 PolarHBondContact O-N 3.25Å
20M97.6Very high87.7Confident2 Ų264.7 Ų64.71%0.0136%0.36CS..Hα-helixtrans-62.2-44.4172.8-169.766.872.200111.4L15 S16 H18 W23 L24 I35 F105 V108 Q109 K112L15-M20 HydrophobicContact CB-CE 4Å; L15-M20 HydrophobicContact CD1-CE 4.13Å; L15-M20 HydrophobicContact CD1-SD 4.34Å; S16-M20 VanDerWaalsContact O-CB 3.29Å; S16-M20 WeakPolarHBondContact O-CB 3.29Å; S16-M20 PolarHBondContact O-N 2.88Å; H18-M20 VanDerWaalsContact C-N 3.29Å; H18-M20 PolarHBondContact O-N 2.84Å; M20-W23 HydrophobicContact SD-CE3 3.66Å; M20-W23 HydrophobicContact SD-CZ3 3.89Å; M20-L24 HydrophobicContact CG-CD1 4.22Å; M20-L24 VanDerWaalsContact O-CD1 3.31Å; M20-L24 WeakPolarHBondContact O-CD1 3.39Å; M20-L24 WeakPolarHBondContact O-CG 3.45Å; M20-L24 PolarHBondContact O-N 2.95Å; M20-L24 VanDerWaalsContact O-N 3.07Å; M20-I35 HydrophobicContact CB-CD1 4.09Å; M20-I35 HydrophobicContact CG-CD1 3.82Å; M20-F105 HydrophobicContact CB-CE2 4.34Å; M20-F105 HydrophobicContact CG-CE2 4.46Å; M20-V108 HydrophobicContact CE-CG1 4.1Å; M20-V108 HydrophobicContact CG-CG1 3.74Å; M20-V108 HydrophobicContact CG-CG2 4.12Å; M20-V108 HydrophobicContact SD-CB 4.46Å; M20-V108 HydrophobicContact SD-CG1 3.98Å; M20-V108 HydrophobicContact SD-CG2 3.77Å; M20-Q109 HydrophobicContact CE-CB 4.46Å; M20-Q109 HydrophobicContact CE-CG 3.92Å; M20-K112 HydrophobicContact CE-CB 4.11Å; M20-K112 HydrophobicContact SD-CB 4.22Å
21L97.4Very high89.5Confident13 Ų1365.5 Ų65.57%0.06837%0.365CS..Hα-helixtrans-66.6-40.7176.2-76.4170.1000112.4R17 H18 L24 N25 I35R17-L21 HydrophobicContact CG-CD1 4.41Å; R17-L21 WeakPolarHBondContact O-CG 3.37Å; R17-L21 PolarHBondContact O-N 2.89Å; H18-L21 PolarHBondContact O-N 3.08Å; H18-L21 VanDerWaalsContact O-N 3.14Å; L21-L24 HydrophobicContact CD2-CD1 4.48Å; L21-L24 PolarHBondContact O-N 3.16Å; L21-N25 WeakPolarHBondContact O-CB 3.41Å; L21-N25 PolarHBondContact O-N 3.32Å; L21-N25 PolarHBondContact O-ND2 3.11Å; L21-I35 HydrophobicContact CD2-CD1 3.97Å; L21-I35 HydrophobicContact CD2-CG1 4.48Å; L21-I35 HydrophobicContact CG-CD1 3.86Å; L21-I35 HydrophobicContact CG-CG1 4.36Å
22A97.9Very high91.7Very high43 Ų4360.4 Ų60.436%0.35533%0.328SS..Hα-helixtrans-58.4-53.617400000110.7H18 D19 L24 N25 D26H18-A22 PolarHBondContact O-N 3.12Å; D19-A22 PolarHBondContact O-N 3.29Å; A22-L24 VanDerWaalsContact C-N 3.32Å; A22-L24 PolarHBondContact O-N 3.1Å; A22-N25 PolarHBondContact O-N 3.37Å; A22-N25 VanDerWaalsContact O-N 3.11Å; A22-D26 WeakPolarHBondContact O-CB 3.35Å; A22-D26 PolarHBondContact O-N 2.94Å
23W97.8Very high93.7Very high34 Ų3461.8 Ų61.813%0.12933%0.334CS..Hα-helixtrans-54-44.3177168.164.2000113.2D19 M20 S27 F47 V108 F111 K112 F115D19-W23 WeakPolarHBondContact O-CB 3.24Å; D19-W23 PolarHBondContact O-N 3.25Å; M20-W23 HydrophobicContact SD-CE3 3.66Å; M20-W23 HydrophobicContact SD-CZ3 3.89Å; W23-S27 VanDerWaalsContact CD1-OG 3.23Å; W23-S27 PolarHBondContact NE1-OG 3.18Å; W23-S27 VanDerWaalsContact NE1-OG 3.14Å; W23-S27 WeakPolarHBondContact O-CB 3.43Å; W23-S27 PolarHBondContact O-N 2.86Å; W23-S27 PolarHBondContact O-OG 3.14Å; W23-F47 HydrophobicContact CH2-CE1 4.07Å; W23-F47 HydrophobicContact CH2-CE2 4.05Å; W23-F47 AromaticContact CH2-CZ 3.77Å; W23-F47 HydrophobicContact CH2-CZ 3.77Å; W23-F47 HydrophobicContact CZ2-CD1 4.25Å; W23-F47 AromaticContact CZ2-CE1 3.58Å; W23-F47 HydrophobicContact CZ2-CE1 3.58Å; W23-F47 HydrophobicContact CZ2-CE2 4.37Å; W23-F47 AromaticContact CZ2-CZ 3.65Å; W23-F47 HydrophobicContact CZ2-CZ 3.65Å; W23-F47 HydrophobicContact CZ3-CZ 4.33Å; W23-V108 HydrophobicContact CZ3-CG2 4.29Å; W23-F111 HydrophobicContact CH2-CD1 4.29Å; W23-K112 HydrophobicContact CD2-CD 3.58Å; W23-K112 VanDerWaalsContact CE2-CD 3.47Å; W23-K112 HydrophobicContact CE3-CD 3.76Å; W23-K112 HydrophobicContact CG-CD 4.27Å; W23-K112 HydrophobicContact CH2-CB 4.36Å; W23-K112 HydrophobicContact CH2-CD 3.76Å; W23-K112 HydrophobicContact CZ2-CD 3.58Å; W23-K112 HydrophobicContact CZ3-CB 4.16Å; W23-K112 HydrophobicContact CZ3-CD 3.84Å; W23-F115 HydrophobicContact CZ2-CB 4.2Å; W23-F115 AromaticContact CZ2-CD1 3.9Å; W23-F115 HydrophobicContact CZ2-CD1 3.9Å; W23-F115 HydrophobicContact CZ2-CD2 4.29Å; W23-F115 HydrophobicContact CZ2-CE1 4.38Å; W23-F115 AromaticContact CZ2-CG 3.85Å; W23-F115 HydrophobicContact CZ2-CG 3.85Å
24L97.8Very high95Very high0 Ų058.3 Ų58.30%031%0.312CS..Hα-helixtrans-64.2-44.5178.1-68.9163.3000112.2M20 L21 A22 L28 L38 F47 V108M20-L24 HydrophobicContact CG-CD1 4.22Å; M20-L24 VanDerWaalsContact O-CD1 3.31Å; M20-L24 WeakPolarHBondContact O-CD1 3.39Å; M20-L24 WeakPolarHBondContact O-CG 3.45Å; M20-L24 PolarHBondContact O-N 2.95Å; M20-L24 VanDerWaalsContact O-N 3.07Å; L21-L24 HydrophobicContact CD2-CD1 4.48Å; L21-L24 PolarHBondContact O-N 3.16Å; A22-L24 VanDerWaalsContact C-N 3.32Å; A22-L24 PolarHBondContact O-N 3.1Å; L24-L28 PolarHBondContact O-N 3.07Å; L24-L38 HydrophobicContact CD1-CD1 3.77Å; L24-L38 HydrophobicContact CD1-CD2 4.1Å; L24-L38 HydrophobicContact CD1-CG 4.27Å; L24-L38 HydrophobicContact CD2-CD2 4Å; L24-F47 HydrophobicContact CD2-CE2 3.5Å; L24-F47 HydrophobicContact CD2-CZ 3.94Å; L24-V108 HydrophobicContact CD1-CG2 4.39Å; L24-V108 HydrophobicContact CD2-CG2 4.32Å
25N97.1Very high95.9Very high33 Ų3354.1 Ų54.118%0.17629%0.286CS..Hα-helixtrans-69.1-44.5-178.3-72.4-21.8000111.6L21 A22 H29 L30 T31 Y32L21-N25 WeakPolarHBondContact O-CB 3.41Å; L21-N25 PolarHBondContact O-N 3.32Å; L21-N25 PolarHBondContact O-ND2 3.11Å; A22-N25 PolarHBondContact O-N 3.37Å; A22-N25 VanDerWaalsContact O-N 3.11Å; N25-H29 CarbonylContact O-C 3.32Å; N25-H29 WeakPolarHBondContact O-CA 3.37Å; N25-H29 PolarHBondContact O-N 3.14Å; N25-L30 WeakPolarHBondContact CB-O 3.42Å; N25-L30 VanDerWaalsContact CG-O 3.32Å; N25-L30 PolarHBondContact O-N 3.02Å; N25-L30 VanDerWaalsContact OD1-C 3.24Å; N25-L30 WeakPolarHBondContact OD1-CB 3.44Å; N25-L30 PolarHBondContact OD1-O 2.79Å; N25-T31 PolarHBondContact OD1-N 2.86Å; N25-Y32 PolarHBondContact ND2-O 2.93Å; N25-Y32 WeakPolarHBondContact OD1-CB 3.42Å; N25-Y32 PolarHBondContact OD1-N 3.18Å
26D97.3Very high96.3Very high119 Ų11953.8 Ų53.864%0.63628%0.283SS*.Hα-helixtrans-69.5-45.9-179.3-62.8-20.3000110.9A22 L28A22-D26 WeakPolarHBondContact O-CB 3.35Å; A22-D26 PolarHBondContact O-N 2.94Å; D26-L28 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 3.31Å
27S97.3Very high96.5Very high33 Ų3352.1 Ų52.123%0.23127%0.27CS..Hα-helixtrans-67.3-31.2-176.8-55.60000113.9W23 M50W23-S27 VanDerWaalsContact CD1-OG 3.23Å; W23-S27 PolarHBondContact NE1-OG 3.18Å; W23-S27 VanDerWaalsContact NE1-OG 3.14Å; W23-S27 WeakPolarHBondContact O-CB 3.43Å; W23-S27 PolarHBondContact O-N 2.86Å; W23-S27 PolarHBondContact O-OG 3.14Å; S27-M50 VanDerWaalsContact O-CE 3.31Å; S27-M50 WeakPolarHBondContact O-CE 3.5Å
28L97Very high96.7Very high0 Ų046.4 Ų46.40%025%0.248CC..Hα-helixtrans-119.37.2-174-69.2-174.1000113.9L24 D26 L30 A43 Q46 F47 M50 Y124 P126 R130L24-L28 PolarHBondContact O-N 3.07Å; D26-L28 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 3.31Å; L28-L30 HydrophobicContact CB-CD1 3.77Å; L28-L30 HydrophobicContact CB-CD2 4.21Å; L28-L30 HydrophobicContact CB-CG 3.64Å; L28-L30 HydrophobicContact CD1-CD1 4.09Å; L28-A43 HydrophobicContact CD1-CB 4.11Å; L28-Q46 HydrophobicContact CD1-CB 4.13Å; L28-Q46 HydrophobicContact CD1-CG 4.47Å; L28-Q46 HydrophobicContact CD2-CB 4.25Å; L28-Q46 HydrophobicContact CD2-CG 3.77Å; L28-F47 HydrophobicContact CD1-CD1 4.35Å; L28-F47 HydrophobicContact CD1-CD2 3.61Å; L28-F47 HydrophobicContact CD1-CE1 4.17Å; L28-F47 HydrophobicContact CD1-CE2 3.35Å; L28-F47 HydrophobicContact CD1-CG 4.1Å; L28-F47 HydrophobicContact CD1-CZ 3.68Å; L28-F47 HydrophobicContact CD2-CD1 4.41Å; L28-F47 HydrophobicContact CD2-CE1 4.33Å; L28-F47 HydrophobicContact CG-CD1 4.35Å; L28-F47 HydrophobicContact CG-CD2 4.4Å; L28-F47 HydrophobicContact CG-CE1 3.92Å; L28-F47 HydrophobicContact CG-CE2 3.94Å; L28-F47 HydrophobicContact CG-CZ 3.69Å; L28-M50 HydrophobicContact CD2-CE 3.65Å; L28-Y124 HydrophobicContact CD2-CE1 4.29Å; L28-P126 HydrophobicContact CB-CB 4.46Å; L28-P126 HydrophobicContact CD2-CB 4.05Å; L28-P126 WeakPolarHBondContact O-CB 3.4Å; L28-R130 PolarHBondContact O-NH1 3.08Å; L28-R130 PolarHBondContact O-NH2 3.44Å
29H95.8Very high96.9Very high106 Ų10641.1 Ų41.149%0.49122%0.224SC..THydrogen-bonded Turntrans47.462.5-171.1-62.1174.3000110.9N25 P126 L127 R130N25-H29 CarbonylContact O-C 3.32Å; N25-H29 WeakPolarHBondContact O-CA 3.37Å; N25-H29 PolarHBondContact O-N 3.14Å; H29-P126 HydrophobicContact CB-CG 4.16Å; H29-L127 HydrophobicContact CB-CD2 4.26Å; H29-L127 HydrophobicContact CB-CG 4.27Å; H29-L127 WeakPolarHBondContact ND1-CD1 3.31Å; H29-R130 PolarHBondContact O-NH2 2.66Å
30L94.1Very high96.9Very high15 Ų1537.4 Ų37.48%0.07921%0.205CC..  trans-112.1167.9178.6-53.1175.9000111.1N25 L28 Y32 A43 M135N25-L30 WeakPolarHBondContact CB-O 3.42Å; N25-L30 VanDerWaalsContact CG-O 3.32Å; N25-L30 PolarHBondContact O-N 3.02Å; N25-L30 VanDerWaalsContact OD1-C 3.24Å; N25-L30 WeakPolarHBondContact OD1-CB 3.44Å; N25-L30 PolarHBondContact OD1-O 2.79Å; L28-L30 HydrophobicContact CB-CD1 3.77Å; L28-L30 HydrophobicContact CB-CD2 4.21Å; L28-L30 HydrophobicContact CB-CG 3.64Å; L28-L30 HydrophobicContact CD1-CD1 4.09Å; L30-Y32 HydrophobicContact CD1-CD2 4.26Å; L30-Y32 HydrophobicContact CD1-CE2 4.14Å; L30-A43 HydrophobicContact CD1-CB 4.23Å; L30-M135 HydrophobicContact CD1-CE 4.33Å; L30-M135 HydrophobicContact CD1-SD 4.2Å; L30-M135 HydrophobicContact CD2-CB 3.71Å; L30-M135 HydrophobicContact CD2-CE 3.72Å; L30-M135 HydrophobicContact CD2-CG 4.45Å; L30-M135 HydrophobicContact CD2-SD 3.96Å
31T94.8Very high97Very high116 Ų11637.3 Ų37.371%0.71220%0.204SC*.  trans-125.839.9179.150.90000111.1N25N25-T31 PolarHBondContact OD1-N 2.86Å
32Y95Very high97Very high7 Ų736.7 Ų36.73%0.02720%0.201CC..  trans-73.3134.8177.2-72.6-6.8000111.5N25 L30 Q37 L38 S40 A43 M135N25-Y32 PolarHBondContact ND2-O 2.93Å; N25-Y32 WeakPolarHBondContact OD1-CB 3.42Å; N25-Y32 PolarHBondContact OD1-N 3.18Å; L30-Y32 HydrophobicContact CD1-CD2 4.26Å; L30-Y32 HydrophobicContact CD1-CE2 4.14Å; Y32-Q37 HydrophobicContact CD1-CB 3.77Å; Y32-Q37 HydrophobicContact CD1-CG 4.39Å; Y32-Q37 HydrophobicContact CD2-CB 4.02Å; Y32-Q37 HydrophobicContact CE1-CB 3.75Å; Y32-Q37 HydrophobicContact CE2-CB 4Å; Y32-Q37 HydrophobicContact CG-CB 3.89Å; Y32-Q37 PolarHBondContact OH-O 2.94Å; Y32-L38 HydrophobicContact CD2-CD2 4.46Å; Y32-L38 HydrophobicContact CE2-CD2 4.03Å; Y32-L38 HydrophobicContact CE2-CG 4.3Å; Y32-S40 PolarHBondContact OH-OG 3.31Å; Y32-A43 HydrophobicContact CE2-CB 4.41Å; Y32-M135 PolarHBondContact OH-SD 3.24Å
33T96.1Very high97Very high105 Ų10534.6 Ų34.664%0.64418%0.184SC*.  trans-115-9.7177.357.50000112.2
34K95.6Very high97.1Very high83 Ų8333 Ų3336%0.36118%0.178SC..  trans-141.6136.7-177.1-69.2-173.1-179.6-176.50110.7E36 Q37K34-E36 WeakPolarHBondContact CB-OE2 3.49Å; K34-E36 PolarHBondContact O-N 3.47Å; K34-Q37 HydrophobicContact CB-CG 4.19Å; K34-Q37 WeakPolarHBondContact O-CB 2.71Å; K34-Q37 WeakPolarHBondContact O-CG 3.27Å; K34-Q37 PolarHBondContact O-N 3.38Å; K34-Q37 VanDerWaalsContact O-N 3.1Å; K34-Q37 PolarHBondContact O-OE1 3.14Å
35I97.8Very high97.1Very high0 Ų033 Ų330%018%0.178CC..G310 helixtrans-61.9-32.4178.8-68.5-66.3000110.7R17 M20 L21 Q37 L38 F101 N104 F105 V108R17-I35 HydrophobicContact CG-CG1 4.05Å; M20-I35 HydrophobicContact CB-CD1 4.09Å; M20-I35 HydrophobicContact CG-CD1 3.82Å; L21-I35 HydrophobicContact CD2-CD1 3.97Å; L21-I35 HydrophobicContact CD2-CG1 4.48Å; L21-I35 HydrophobicContact CG-CD1 3.86Å; L21-I35 HydrophobicContact CG-CG1 4.36Å; I35-Q37 PolarHBondContact O-N 3.29Å; I35-L38 HydrophobicContact CG2-CD1 4.22Å; I35-L38 VanDerWaalsContact O-CB 3.27Å; I35-L38 WeakPolarHBondContact O-CB 2.95Å; I35-L38 WeakPolarHBondContact O-CD1 3.48Å; I35-L38 WeakPolarHBondContact O-CG 3.41Å; I35-L38 PolarHBondContact O-N 3.45Å; I35-F101 HydrophobicContact CB-CD2 3.98Å; I35-F101 HydrophobicContact CB-CE2 3.86Å; I35-F101 HydrophobicContact CG1-CD2 4.48Å; I35-F101 HydrophobicContact CG1-CE2 3.86Å; I35-F101 HydrophobicContact CG2-CD2 4.41Å; I35-F101 HydrophobicContact CG2-CE2 4.37Å; I35-N104 HydrophobicContact CG2-CB 4.01Å; I35-F105 HydrophobicContact CD1-CD2 4.1Å; I35-F105 HydrophobicContact CD1-CE2 4.38Å; I35-F105 HydrophobicContact CG1-CD2 3.97Å; I35-F105 HydrophobicContact CG1-CE2 4.46Å; I35-F105 HydrophobicContact CG2-CB 3.97Å; I35-F105 HydrophobicContact CG2-CD2 4.04Å; I35-F105 HydrophobicContact CG2-CG 4.49Å; I35-V108 HydrophobicContact CD1-CG1 4.48Å; I35-V108 HydrophobicContact CG2-CG1 4.38Å
36E97.3Very high97.2Very high49 Ų4931.4 Ų31.423%0.22917%0.17CC..G310 helixtrans-53.9-23.2175.3-57.394.611200113K34 L38 C39 G99 F101K34-E36 WeakPolarHBondContact CB-OE2 3.49Å; K34-E36 PolarHBondContact O-N 3.47Å; E36-L38 PolarHBondContact O-N 3.02Å; E36-C39 WeakPolarHBondContact O-CB 3.46Å; E36-C39 PolarHBondContact O-N 3.07Å; E36-C39 VanDerWaalsContact O-N 3.09Å; E36-C39 PolarHBondContact O-SG 3.39Å; E36-G99 WeakPolarHBondContact CB-O 3.42Å; E36-G99 WeakPolarHBondContact CG-O 3.37Å; E36-F101 HydrophobicContact CG-CB 4.12Å
37Q97.3Very high97.3Very high15 Ų1525.8 Ų25.87%0.0714%0.139CC..G310 helixtrans-69.4-19.8178.5-61.7173.8-74.500113.1Y32 K34 I35 C39 S40 A138Y32-Q37 HydrophobicContact CD1-CB 3.77Å; Y32-Q37 HydrophobicContact CD1-CG 4.39Å; Y32-Q37 HydrophobicContact CD2-CB 4.02Å; Y32-Q37 HydrophobicContact CE1-CB 3.75Å; Y32-Q37 HydrophobicContact CE2-CB 4Å; Y32-Q37 HydrophobicContact CG-CB 3.89Å; Y32-Q37 PolarHBondContact OH-O 2.94Å; K34-Q37 HydrophobicContact CB-CG 4.19Å; K34-Q37 WeakPolarHBondContact O-CB 2.71Å; K34-Q37 WeakPolarHBondContact O-CG 3.27Å; K34-Q37 PolarHBondContact O-N 3.38Å; K34-Q37 VanDerWaalsContact O-N 3.1Å; K34-Q37 PolarHBondContact O-OE1 3.14Å; I35-Q37 PolarHBondContact O-N 3.29Å; Q37-C39 PolarHBondContact O-N 2.76Å; Q37-S40 PolarHBondContact O-N 2.81Å; Q37-S40 PolarHBondContact O-OG 2.99Å; Q37-A138 HydrophobicContact CB-CB 4.01Å; Q37-A138 HydrophobicContact CG-CB 3.79Å
38L98.2Very high97.3Very high1 Ų124.2 Ų24.21%0.00513%0.128CC..G310 helixtrans-64.7-14170.4-66.9162.5000113.2L24 Y32 I35 E36 S40 G41 A43 Y44 V108L24-L38 HydrophobicContact CD1-CD1 3.77Å; L24-L38 HydrophobicContact CD1-CD2 4.1Å; L24-L38 HydrophobicContact CD1-CG 4.27Å; L24-L38 HydrophobicContact CD2-CD2 4Å; Y32-L38 HydrophobicContact CD2-CD2 4.46Å; Y32-L38 HydrophobicContact CE2-CD2 4.03Å; Y32-L38 HydrophobicContact CE2-CG 4.3Å; I35-L38 HydrophobicContact CG2-CD1 4.22Å; I35-L38 VanDerWaalsContact O-CB 3.27Å; I35-L38 WeakPolarHBondContact O-CB 2.95Å; I35-L38 WeakPolarHBondContact O-CD1 3.48Å; I35-L38 WeakPolarHBondContact O-CG 3.41Å; I35-L38 PolarHBondContact O-N 3.45Å; E36-L38 PolarHBondContact O-N 3.02Å; L38-S40 PolarHBondContact O-N 2.69Å; L38-G41 PolarHBondContact O-N 2.72Å; L38-A43 HydrophobicContact CD2-CB 3.83Å; L38-Y44 HydrophobicContact CB-CE2 3.92Å; L38-Y44 HydrophobicContact CD2-CE1 4.4Å; L38-Y44 HydrophobicContact CD2-CE2 4.36Å; L38-V108 HydrophobicContact CD1-CB 3.81Å; L38-V108 HydrophobicContact CD1-CG1 4.18Å; L38-V108 HydrophobicContact CD1-CG2 3.63Å
39C98.4Very high97.4Very high6 Ų625.3 Ų25.34%0.04113%0.134CC..G310 helixtrans-56.5-20.6173.572.90000113.1E36 Q37 G41 F71 F75 L96 N104E36-C39 WeakPolarHBondContact O-CB 3.46Å; E36-C39 PolarHBondContact O-N 3.07Å; E36-C39 VanDerWaalsContact O-N 3.09Å; E36-C39 PolarHBondContact O-SG 3.39Å; Q37-C39 PolarHBondContact O-N 2.76Å; C39-G41 PolarHBondContact O-N 2.85Å; C39-F71 VanDerWaalsContact O-CB 3.32Å; C39-F71 WeakPolarHBondContact O-CB 3.47Å; C39-F75 VanDerWaalsContact O-CE2 3.3Å; C39-F75 WeakPolarHBondContact O-CE2 3.17Å; C39-L96 WeakPolarHBondContact CB-O 3.46Å; C39-N104 PolarHBondContact N-OD1 2.83Å
40S98.1Very high97.5Very high5 Ų520.5 Ų20.54%0.03511%0.112CC..G310 helixtrans-64.1-21175.568.70000114.2Y32 Q37 L38 A42 N74Y32-S40 PolarHBondContact OH-OG 3.31Å; Q37-S40 PolarHBondContact O-N 2.81Å; Q37-S40 PolarHBondContact O-OG 2.99Å; L38-S40 PolarHBondContact O-N 2.69Å; S40-A42 PolarHBondContact O-N 2.8Å; S40-A42 VanDerWaalsContact O-N 3.07Å; S40-A42 PolarHBondContact OG-N 3.46Å; S40-N74 VanDerWaalsContact O-CB 3.28Å; S40-N74 WeakPolarHBondContact O-CB 3.21Å; S40-N74 PolarHBondContact O-ND2 2.98Å
41G98.4Very high97.7Very high0 Ų019.9 Ų19.90%011%0.109CC..SBendtrans70-8.4-175.400000115.3L38 C39 C45L38-G41 PolarHBondContact O-N 2.72Å; C39-G41 PolarHBondContact O-N 2.85Å; G41-C45 PolarHBondContact O-N 3.32Å; G41-C45 PolarHBondContact O-SG 2.84Å
42A98.3Very high97.8Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-71.4-43.1-172.300000112.6S40 Y44 C45 Q46 V61 F63 M135S40-A42 PolarHBondContact O-N 2.8Å; S40-A42 VanDerWaalsContact O-N 3.07Å; S40-A42 PolarHBondContact OG-N 3.46Å; A42-Y44 PolarHBondContact O-N 2.89Å; A42-C45 WeakPolarHBondContact O-CB 3.48Å; A42-C45 PolarHBondContact O-N 3.38Å; A42-Q46 PolarHBondContact O-N 2.99Å; A42-V61 HydrophobicContact CB-CG1 4.01Å; A42-F63 HydrophobicContact CB-CD1 4.13Å; A42-M135 HydrophobicContact CB-CE 4.09Å; A42-M135 HydrophobicContact CB-CG 4.07Å; A42-M135 HydrophobicContact CB-SD 3.77Å
43A98.4Very high97.8Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-59-46.917700000112.1L28 L30 Y32 L38 C45 Q46 F47 M135L28-A43 HydrophobicContact CD1-CB 4.11Å; L30-A43 HydrophobicContact CD1-CB 4.23Å; Y32-A43 HydrophobicContact CE2-CB 4.41Å; L38-A43 HydrophobicContact CD2-CB 3.83Å; A43-C45 VanDerWaalsContact C-N 3.31Å; A43-C45 PolarHBondContact O-N 2.77Å; A43-Q46 WeakPolarHBondContact O-CB 3.45Å; A43-Q46 PolarHBondContact O-N 3.45Å; A43-F47 VanDerWaalsContact O-CD2 3.3Å; A43-F47 WeakPolarHBondContact O-CD2 3.23Å; A43-F47 PolarHBondContact O-N 2.86Å; A43-M135 HydrophobicContact CB-CE 4.19Å; A43-M135 HydrophobicContact CB-SD 3.95Å
44Y98.8Very high97.7Very high0 Ų017.2 Ų17.20%010%0.101CC..Hα-helixtrans-61-38176.5-60.4-59.4000113L38 A42 Q46 M48 F75 L78 F107 V108 F111L38-Y44 HydrophobicContact CB-CE2 3.92Å; L38-Y44 HydrophobicContact CD2-CE1 4.4Å; L38-Y44 HydrophobicContact CD2-CE2 4.36Å; A42-Y44 PolarHBondContact O-N 2.89Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 2.98Å; Y44-M48 WeakPolarHBondContact O-CG 3.31Å; Y44-M48 PolarHBondContact O-N 3.32Å; Y44-F75 AromaticContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CZ 4.29Å; Y44-F75 HydrophobicContact CE2-CE1 4.32Å; Y44-F75 HydrophobicContact CE2-CZ 4.32Å; Y44-L78 VanDerWaalsContact CB-CD2 3.47Å; Y44-L78 HydrophobicContact CD2-CD2 4.31Å; Y44-L78 HydrophobicContact CG-CD2 4.12Å; Y44-F107 HydrophobicContact CD1-CE1 4.15Å; Y44-F107 HydrophobicContact CD2-CE1 4.19Å; Y44-F107 AromaticContact CE1-CD1 3.96Å; Y44-F107 HydrophobicContact CE1-CD1 3.96Å; Y44-F107 AromaticContact CE1-CE1 3.92Å; Y44-F107 HydrophobicContact CE1-CE1 3.92Å; Y44-F107 AromaticContact CE2-CD1 3.93Å; Y44-F107 HydrophobicContact CE2-CD1 3.93Å; Y44-F107 AromaticContact CE2-CE1 3.98Å; Y44-F107 HydrophobicContact CE2-CE1 3.98Å; Y44-F107 HydrophobicContact CG-CE1 4.28Å; Y44-F107 AromaticContact CZ-CD1 3.57Å; Y44-F107 AromaticContact CZ-CE1 3.84Å; Y44-V108 HydrophobicContact CE1-CB 4.46Å; Y44-V108 HydrophobicContact CE1-CG2 4.17Å; Y44-V108 WeakPolarHBondContact OH-CB 3.41Å; Y44-F111 HydrophobicContact CD1-CB 4.36Å; Y44-F111 AromaticContact CD1-CD1 3.84Å; Y44-F111 HydrophobicContact CD1-CD1 3.84Å; Y44-F111 AromaticContact CD1-CD2 3.6Å; Y44-F111 HydrophobicContact CD1-CD2 3.6Å; Y44-F111 HydrophobicContact CD1-CE1 4.02Å; Y44-F111 AromaticContact CD1-CE2 3.79Å; Y44-F111 HydrophobicContact CD1-CE2 3.79Å; Y44-F111 AromaticContact CD1-CG 3.64Å; Y44-F111 HydrophobicContact CD1-CG 3.64Å; Y44-F111 HydrophobicContact CD1-CZ 4Å; Y44-F111 HydrophobicContact CE1-CB 4Å; Y44-F111 HydrophobicContact CE1-CD1 4.1Å; Y44-F111 HydrophobicContact CE1-CD2 4.09Å; Y44-F111 AromaticContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CG-CD2 4.48Å; Y44-F111 HydrophobicContact CG-CE2 4.41Å
45C98.7Very high97.8Very high0 Ų013.5 Ų13.50%09%0.086CC..Hα-helixtrans-63.2-36.2173.9-66.50000111.7G41 A42 A43 D49 V56 V61 N74G41-C45 PolarHBondContact O-N 3.32Å; G41-C45 PolarHBondContact O-SG 2.84Å; A42-C45 WeakPolarHBondContact O-CB 3.48Å; A42-C45 PolarHBondContact O-N 3.38Å; A43-C45 VanDerWaalsContact C-N 3.31Å; A43-C45 PolarHBondContact O-N 2.77Å; C45-D49 PolarHBondContact O-N 3.28Å; C45-V56 HydrophobicContact CB-CG1 4.22Å; C45-V56 WeakPolarHBondContact O-CG2 3.47Å; C45-V61 HydrophobicContact CB-CG1 4.07Å; C45-V61 HydrophobicContact CB-CG2 3.6Å; C45-N74 PolarHBondContact SG-O 2.92Å; C45-N74 VanDerWaalsContact SG-O 3.37Å
46Q98.4Very high97.8Very high0 Ų014 Ų140%09%0.089CC..Hα-helixtrans-74.7-41.1178.4-165.3168.92.900112.5L28 A42 A43 Y44 M48 D49 M50 F63 Y124 P126L28-Q46 HydrophobicContact CD1-CB 4.13Å; L28-Q46 HydrophobicContact CD1-CG 4.47Å; L28-Q46 HydrophobicContact CD2-CB 4.25Å; L28-Q46 HydrophobicContact CD2-CG 3.77Å; A42-Q46 PolarHBondContact O-N 2.99Å; A43-Q46 WeakPolarHBondContact O-CB 3.45Å; A43-Q46 PolarHBondContact O-N 3.45Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 2.98Å; Q46-M48 VanDerWaalsContact C-N 3.29Å; Q46-M48 PolarHBondContact O-N 3.47Å; Q46-D49 WeakPolarHBondContact O-CB 3.36Å; Q46-D49 PolarHBondContact O-N 2.9Å; Q46-D49 VanDerWaalsContact O-N 3.14Å; Q46-M50 PolarHBondContact O-N 3.17Å; Q46-F63 HydrophobicContact CB-CE1 4.37Å; Q46-Y124 HydrophobicContact CG-CE1 4.11Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.16Å; Q46-P126 PolarHBondContact NE2-O 2.83Å
47F98.7Very high97.7Very high0 Ų015.5 Ų15.50%010%0.098CC..Hα-helixtrans-60.4-37171.5-80-64.3000112.9W23 L24 L28 A43 D49 M50 L51 F111 F115W23-F47 HydrophobicContact CH2-CE1 4.07Å; W23-F47 HydrophobicContact CH2-CE2 4.05Å; W23-F47 AromaticContact CH2-CZ 3.77Å; W23-F47 HydrophobicContact CH2-CZ 3.77Å; W23-F47 HydrophobicContact CZ2-CD1 4.25Å; W23-F47 AromaticContact CZ2-CE1 3.58Å; W23-F47 HydrophobicContact CZ2-CE1 3.58Å; W23-F47 HydrophobicContact CZ2-CE2 4.37Å; W23-F47 AromaticContact CZ2-CZ 3.65Å; W23-F47 HydrophobicContact CZ2-CZ 3.65Å; W23-F47 HydrophobicContact CZ3-CZ 4.33Å; L24-F47 HydrophobicContact CD2-CE2 3.5Å; L24-F47 HydrophobicContact CD2-CZ 3.94Å; L28-F47 HydrophobicContact CD1-CD1 4.35Å; L28-F47 HydrophobicContact CD1-CD2 3.61Å; L28-F47 HydrophobicContact CD1-CE1 4.17Å; L28-F47 HydrophobicContact CD1-CE2 3.35Å; L28-F47 HydrophobicContact CD1-CG 4.1Å; L28-F47 HydrophobicContact CD1-CZ 3.68Å; L28-F47 HydrophobicContact CD2-CD1 4.41Å; L28-F47 HydrophobicContact CD2-CE1 4.33Å; L28-F47 HydrophobicContact CG-CD1 4.35Å; L28-F47 HydrophobicContact CG-CD2 4.4Å; L28-F47 HydrophobicContact CG-CE1 3.92Å; L28-F47 HydrophobicContact CG-CE2 3.94Å; L28-F47 HydrophobicContact CG-CZ 3.69Å; A43-F47 VanDerWaalsContact O-CD2 3.3Å; A43-F47 WeakPolarHBondContact O-CD2 3.23Å; A43-F47 PolarHBondContact O-N 2.86Å; F47-D49 VanDerWaalsContact C-N 3.31Å; F47-D49 PolarHBondContact O-N 3.19Å; F47-M50 HydrophobicContact CD1-SD 4.05Å; F47-M50 HydrophobicContact CE1-SD 4.39Å; F47-M50 PolarHBondContact O-N 2.88Å; F47-L51 WeakPolarHBondContact O-CB 3.47Å; F47-L51 WeakPolarHBondContact O-CG 3.45Å; F47-L51 PolarHBondContact O-N 3.03Å; F47-F111 HydrophobicContact CB-CE1 3.48Å; F47-F111 VanDerWaalsContact CB-CE1 3.48Å; F47-F111 HydrophobicContact CB-CZ 3.59Å; F47-F111 AromaticContact CD2-CE1 3.92Å; F47-F111 HydrophobicContact CD2-CE1 3.92Å; F47-F111 AromaticContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CZ 4.4Å; F47-F115 AromaticContact CD1-CD2 3.78Å; F47-F115 HydrophobicContact CD1-CD2 3.78Å; F47-F115 AromaticContact CD1-CE2 3.59Å; F47-F115 HydrophobicContact CD1-CE2 3.59Å; F47-F115 HydrophobicContact CD1-CZ 4.4Å; F47-F115 HydrophobicContact CE1-CD2 4.41Å; F47-F115 HydrophobicContact CE1-CE2 4.14Å; F47-F115 HydrophobicContact CG-CD2 4.45Å
48M98.6Very high97.6Very high0 Ų016 Ų160%010%0.102CC..Hα-helixtrans-66.1-32.9175.3-78.5-62.6-64.300112.8Y44 Q46 L51 F52 C55 V56 L78 A81 F82 M85 F111 F114Y44-M48 WeakPolarHBondContact O-CG 3.31Å; Y44-M48 PolarHBondContact O-N 3.32Å; Q46-M48 VanDerWaalsContact C-N 3.29Å; Q46-M48 PolarHBondContact O-N 3.47Å; M48-L51 HydrophobicContact SD-CD1 4.42Å; M48-F52 HydrophobicContact CE-CD2 3.81Å; M48-F52 HydrophobicContact CE-CE2 4.08Å; M48-F52 PolarHBondContact O-N 3.37Å; M48-F52 HydrophobicContact SD-CD2 4.35Å; M48-F52 HydrophobicContact SD-CE2 4.34Å; M48-C55 PolarHBondContact O-SG 2.97Å; M48-V56 HydrophobicContact CB-CG2 3.6Å; M48-L78 HydrophobicContact CB-CD1 4.38Å; M48-L78 HydrophobicContact CG-CD1 3.56Å; M48-A81 HydrophobicContact CE-CB 4.12Å; M48-F82 HydrophobicContact CE-CD1 3.98Å; M48-F82 HydrophobicContact CE-CE1 4.29Å; M48-F82 HydrophobicContact CG-CD1 4.36Å; M48-F82 HydrophobicContact CG-CE1 4Å; M48-F82 HydrophobicContact SD-CD1 4.05Å; M48-F82 HydrophobicContact SD-CE1 3.73Å; M48-M85 HydrophobicContact CE-CB 4.37Å; M48-M85 HydrophobicContact CE-CG 3.96Å; M48-F111 HydrophobicContact CG-CE2 4.46Å; M48-F111 HydrophobicContact CG-CZ 4.41Å; M48-F114 HydrophobicContact SD-CE1 3.75Å; M48-F114 HydrophobicContact SD-CZ 4.3Å
49D98.3Very high97.5Very high23 Ų2325 Ų2512%0.12314%0.14CC..Hα-helixtrans-70.6-40.7171.8-177.873.3000112.2C45 Q46 F47 F52 P53 V56 L58 Y124C45-D49 PolarHBondContact O-N 3.28Å; Q46-D49 WeakPolarHBondContact O-CB 3.36Å; Q46-D49 PolarHBondContact O-N 2.9Å; Q46-D49 VanDerWaalsContact O-N 3.14Å; F47-D49 VanDerWaalsContact C-N 3.31Å; F47-D49 PolarHBondContact O-N 3.19Å; D49-F52 CarbonylContact O-C 3.5Å; D49-P53 VanDerWaalsContact O-CA 3.29Å; D49-P53 WeakPolarHBondContact O-CA 3.1Å; D49-P53 WeakPolarHBondContact O-CD 3.43Å; D49-P53 VanDerWaalsContact O-N 3.11Å; D49-V56 HydrophobicContact CB-CB 4.38Å; D49-L58 HydrophobicContact CB-CD1 3.98Å; D49-L58 HydrophobicContact CB-CD2 3.89Å; D49-L58 HydrophobicContact CB-CG 3.98Å; D49-L58 VanDerWaalsContact OD2-CD1 3.24Å; D49-L58 WeakPolarHBondContact OD2-CD1 3.48Å; D49-Y124 WeakPolarHBondContact OD2-CE2 3.46Å; D49-Y124 PolarHBondContact OD2-OH 3.03Å
50M97.9Very high97.4Very high5 Ų530.6 Ų30.63%0.02516%0.164CC..Hα-helixtrans-59.8-48.8172.7178-167.6-77.600112.1S27 L28 Q46 F47 F115 Y119 K122 Y124S27-M50 VanDerWaalsContact O-CE 3.31Å; S27-M50 WeakPolarHBondContact O-CE 3.5Å; L28-M50 HydrophobicContact CD2-CE 3.65Å; Q46-M50 PolarHBondContact O-N 3.17Å; F47-M50 HydrophobicContact CD1-SD 4.05Å; F47-M50 HydrophobicContact CE1-SD 4.39Å; F47-M50 PolarHBondContact O-N 2.88Å; M50-F115 HydrophobicContact CG-CE2 4.42Å; M50-F115 HydrophobicContact SD-CE2 3.51Å; M50-F115 VanDerWaalsContact SD-CE2 3.51Å; M50-F115 HydrophobicContact SD-CZ 3.58Å; M50-F115 VanDerWaalsContact SD-CZ 3.58Å; M50-Y119 HydrophobicContact CG-CE2 4Å; M50-Y119 HydrophobicContact SD-CE2 4.02Å; M50-K122 WeakPolarHBondContact O-CD 3.48Å; M50-Y124 HydrophobicContact CB-CD1 4.03Å; M50-Y124 HydrophobicContact CB-CD2 3.88Å; M50-Y124 HydrophobicContact CB-CE1 4.04Å; M50-Y124 HydrophobicContact CB-CE2 3.92Å; M50-Y124 HydrophobicContact CB-CG 3.93Å; M50-Y124 HydrophobicContact CE-CD1 3.34Å; M50-Y124 HydrophobicContact CE-CE1 3.96Å; M50-Y124 HydrophobicContact CE-CG 3.91Å; M50-Y124 HydrophobicContact CG-CD1 4.03Å; M50-Y124 HydrophobicContact CG-CD2 4.05Å; M50-Y124 HydrophobicContact CG-CG 3.74Å
51L98Very high97.4Very high2 Ų230.9 Ų30.91%0.0117%0.166CC..Hα-helixtrans-63.3-51.9176.4-71.6172.9000111F47 M48 F114 F115 N118 Y119 K122F47-L51 WeakPolarHBondContact O-CB 3.47Å; F47-L51 WeakPolarHBondContact O-CG 3.45Å; F47-L51 PolarHBondContact O-N 3.03Å; M48-L51 HydrophobicContact SD-CD1 4.42Å; L51-F114 HydrophobicContact CD1-CD1 4.13Å; L51-F114 HydrophobicContact CD1-CE1 3.7Å; L51-F115 HydrophobicContact CD1-CD2 3.87Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.71Å; L51-F115 HydrophobicContact CD2-CG 4.19Å; L51-F115 HydrophobicContact CD2-CZ 4.45Å; L51-F115 HydrophobicContact CG-CD2 3.69Å; L51-F115 HydrophobicContact CG-CE2 3.9Å; L51-N118 HydrophobicContact CD1-CB 4.48Å; L51-N118 HydrophobicContact CD2-CB 3.93Å; L51-Y119 HydrophobicContact CD2-CD2 4.2Å; L51-K122 PolarHBondContact O-NZ 3.29Å
52F97.5Very high97.4Very high32 Ų3234.5 Ų34.514%0.1418%0.181CC..SBendtrans-131.886.1-171.9-44.2-71.3000111.1A2 M48 D49 G54 C55 M85 F114 N118A2-F52 HydrophobicContact CB-CE1 4.36Å; A2-F52 HydrophobicContact CB-CE2 3.93Å; A2-F52 HydrophobicContact CB-CZ 3.52Å; M48-F52 HydrophobicContact CE-CD2 3.81Å; M48-F52 HydrophobicContact CE-CE2 4.08Å; M48-F52 PolarHBondContact O-N 3.37Å; M48-F52 HydrophobicContact SD-CD2 4.35Å; M48-F52 HydrophobicContact SD-CE2 4.34Å; D49-F52 CarbonylContact O-C 3.5Å; F52-G54 PolarHBondContact O-N 3.2Å; F52-C55 HydrophobicContact CB-CB 3.93Å; F52-C55 VanDerWaalsContact O-CB 3.27Å; F52-C55 WeakPolarHBondContact O-CB 3.23Å; F52-C55 PolarHBondContact O-N 3.37Å; F52-C55 PolarHBondContact O-SG 3.22Å; F52-M85 HydrophobicContact CB-CE 3.88Å; F52-M85 HydrophobicContact CB-CG 4.32Å; F52-M85 HydrophobicContact CB-SD 3.84Å; F52-M85 HydrophobicContact CD1-CE 3.39Å; F52-M85 HydrophobicContact CD1-SD 4.47Å; F52-M85 HydrophobicContact CD2-CE 3.94Å; F52-M85 HydrophobicContact CD2-CG 3.83Å; F52-M85 HydrophobicContact CD2-SD 4.3Å; F52-M85 HydrophobicContact CE1-CE 3.81Å; F52-M85 HydrophobicContact CE2-CE 4.3Å; F52-M85 HydrophobicContact CE2-CG 4.36Å; F52-M85 HydrophobicContact CG-CE 3.45Å; F52-M85 VanDerWaalsContact CG-CE 3.45Å; F52-M85 HydrophobicContact CG-CG 4.13Å; F52-M85 HydrophobicContact CG-SD 3.96Å; F52-M85 HydrophobicContact CZ-CE 4.23Å; F52-F114 HydrophobicContact CE2-CE1 4.33Å; F52-F114 AromaticContact CE2-CZ 4Å; F52-F114 HydrophobicContact CE2-CZ 4Å; F52-F114 HydrophobicContact CZ-CZ 4.42Å; F52-N118 HydrophobicContact CE1-CB 4.38Å; F52-N118 HydrophobicContact CZ-CB 3.78Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.35Å
53P95.9Very high97.3Very high92 Ų9234.9 Ų34.960%0.59718%0.183SC*.THydrogen-bonded Turntrans-50.9129.4-177.8-31.836.9000113.1D49 C55 K122D49-P53 VanDerWaalsContact O-CA 3.29Å; D49-P53 WeakPolarHBondContact O-CA 3.1Å; D49-P53 WeakPolarHBondContact O-CD 3.43Å; D49-P53 VanDerWaalsContact O-N 3.11Å; P53-C55 VanDerWaalsContact C-N 3.28Å; P53-C55 PolarHBondContact O-N 3.27Å; P53-K122 HydrophobicContact CG-CD 4.49Å
54G94.3Very high97.2Very high48 Ų4838.8 Ų38.850%0.49520%0.201SC..THydrogen-bonded Turntrans76.82.7-178.900000115.7F52 V56 R84F52-G54 PolarHBondContact O-N 3.2Å; G54-V56 VanDerWaalsContact C-N 3.32Å; G54-R84 PolarHBondContact O-NH1 3.2Å
55C97.1Very high97Very high6 Ų639 Ų394%0.04120%0.203CC..SBendtrans-71.5-29.8170.184.10000112.3M48 F52 P53 R84 M85M48-C55 PolarHBondContact O-SG 2.97Å; F52-C55 HydrophobicContact CB-CB 3.93Å; F52-C55 VanDerWaalsContact O-CB 3.27Å; F52-C55 WeakPolarHBondContact O-CB 3.23Å; F52-C55 PolarHBondContact O-N 3.37Å; F52-C55 PolarHBondContact O-SG 3.22Å; P53-C55 VanDerWaalsContact C-N 3.28Å; P53-C55 PolarHBondContact O-N 3.27Å; C55-R84 PolarHBondContact O-NH1 3.47Å; C55-M85 HydrophobicContact CB-CG 3.88Å; C55-M85 HydrophobicContact CB-SD 3.73Å
56V97.8Very high96.7Very high9 Ų944.2 Ų44.26%0.05523%0.225CC..SBendtrans-104.6142.5176.7172.50000110.6C45 M48 D49 G54 L58 V61 V77 A81C45-V56 HydrophobicContact CB-CG1 4.22Å; C45-V56 WeakPolarHBondContact O-CG2 3.47Å; M48-V56 HydrophobicContact CB-CG2 3.6Å; D49-V56 HydrophobicContact CB-CB 4.38Å; G54-V56 VanDerWaalsContact C-N 3.32Å; V56-L58 HydrophobicContact CB-CD2 4.47Å; V56-L58 HydrophobicContact CG1-CD2 3.72Å; V56-L58 HydrophobicContact CG1-CG 4.3Å; V56-L58 PolarHBondContact O-N 3.34Å; V56-V61 HydrophobicContact CG1-CG2 4.08Å; V56-V77 HydrophobicContact CG1-CG1 3.88Å; V56-A81 HydrophobicContact CG2-CB 3.46Å; V56-A81 VanDerWaalsContact CG2-CB 3.46Å
57L94.9Very high96.5Very high82 Ų8247.4 Ų47.443%0.42924%0.242SC..  trans-88.684165.9-8970.6000109.2K59 K60L57-K59 PolarHBondContact O-N 3.48Å; L57-K59 VanDerWaalsContact O-N 3.12Å; L57-K60 HydrophobicContact CB-CB 4.4Å; L57-K60 HydrophobicContact CB-CD 4.25Å; L57-K60 HydrophobicContact CB-CG 4.22Å; L57-K60 HydrophobicContact CD2-CD 3.93Å; L57-K60 HydrophobicContact CD2-CG 4.42Å; L57-K60 WeakPolarHBondContact O-CB 3.32Å; L57-K60 PolarHBondContact O-N 3.21Å
58L95.9Very high96.4Very high26 Ų2651.1 Ų51.114%0.13626%0.259CS..G310 helixtrans-55.1-33.1-178.4-71.4-172.9000113.3D49 V56 K60 V61 F63 A129D49-L58 HydrophobicContact CB-CD1 3.98Å; D49-L58 HydrophobicContact CB-CD2 3.89Å; D49-L58 HydrophobicContact CB-CG 3.98Å; D49-L58 VanDerWaalsContact OD2-CD1 3.24Å; D49-L58 WeakPolarHBondContact OD2-CD1 3.48Å; V56-L58 HydrophobicContact CB-CD2 4.47Å; V56-L58 HydrophobicContact CG1-CD2 3.72Å; V56-L58 HydrophobicContact CG1-CG 4.3Å; V56-L58 PolarHBondContact O-N 3.34Å; L58-K60 PolarHBondContact O-N 3.43Å; L58-V61 HydrophobicContact CD2-CG2 4.27Å; L58-V61 WeakPolarHBondContact O-CB 3.41Å; L58-V61 PolarHBondContact O-N 3Å; L58-F63 HydrophobicContact CD2-CZ 4.2Å; L58-A129 HydrophobicContact CD1-CB 3.98Å
59K95.4Very high96.4Very high189 Ų18956.8 Ų56.882%0.82229%0.286SS*.G310 helixtrans-59.2-14.7173.6-65.2-174.9179.1-178.50114.7L57L57-K59 PolarHBondContact O-N 3.48Å; L57-K59 VanDerWaalsContact O-N 3.12Å
60K96.8Very high96.4Very high124 Ų12457.3 Ų57.354%0.53929%0.287SS..G310 helixtrans-99.3-9.6174.1-66.9-172.6175.1-176.50113L57 L58 H73 V77L57-K60 HydrophobicContact CB-CB 4.4Å; L57-K60 HydrophobicContact CB-CD 4.25Å; L57-K60 HydrophobicContact CB-CG 4.22Å; L57-K60 HydrophobicContact CD2-CD 3.93Å; L57-K60 HydrophobicContact CD2-CG 4.42Å; L57-K60 WeakPolarHBondContact O-CB 3.32Å; L57-K60 PolarHBondContact O-N 3.21Å; L58-K60 PolarHBondContact O-N 3.43Å; K60-H73 PolarHBondContact O-NE2 3.1Å; K60-V77 HydrophobicContact CB-CG2 4.31Å
61V98.1Very high96.4Very high11 Ų1157.7 Ų57.77%0.06729%0.289CS..  trans-78.1131.4179.8179.60000109.2A42 C45 V56 L58 F63 V77A42-V61 HydrophobicContact CB-CG1 4.01Å; C45-V61 HydrophobicContact CB-CG1 4.07Å; C45-V61 HydrophobicContact CB-CG2 3.6Å; V56-V61 HydrophobicContact CG1-CG2 4.08Å; L58-V61 HydrophobicContact CD2-CG2 4.27Å; L58-V61 WeakPolarHBondContact O-CB 3.41Å; L58-V61 PolarHBondContact O-N 3Å; V61-F63 HydrophobicContact CB-CE2 4.03Å; V61-F63 HydrophobicContact CB-CZ 4.07Å; V61-F63 HydrophobicContact CG1-CD1 4.22Å; V61-F63 HydrophobicContact CG1-CD2 4.4Å; V61-F63 HydrophobicContact CG1-CE1 3.95Å; V61-F63 HydrophobicContact CG1-CE2 4.14Å; V61-F63 HydrophobicContact CG1-CG 4.43Å; V61-F63 HydrophobicContact CG1-CZ 3.91Å; V61-F63 PolarHBondContact O-N 2.9Å; V61-V77 HydrophobicContact CG2-CG1 4.05Å
62K97.6Very high96.4Very high75 Ų7560.2 Ų60.233%0.32630%0.302SS..  trans-90.489.1174.8-66.8-176.8164.1-157.50109.3Q64 A65 E70 N74K62-Q64 VanDerWaalsContact C-N 3.29Å; K62-Q64 PolarHBondContact O-N 3.33Å; K62-A65 HydrophobicContact CB-CB 3.92Å; K62-A65 VanDerWaalsContact O-CB 3.32Å; K62-A65 WeakPolarHBondContact O-CB 3.26Å; K62-A65 PolarHBondContact O-N 3.14Å; K62-E70 HydrophobicContact CD-CB 3.71Å; K62-E70 HydrophobicContact CD-CG 4.01Å; K62-E70 WeakPolarHBondContact CD-OE1 3.43Å; K62-E70 IonicContact NZ-OE1 2.79Å; K62-E70 PolarHBondContact NZ-OE1 2.99Å; K62-N74 PolarHBondContact N-OD1 2.84Å; K62-N74 PolarHBondContact O-ND2 2.84Å
63F96.6Very high96.5Very high8 Ų862.1 Ų62.14%0.03531%0.311CS..THydrogen-bonded Turntrans-64.6-33.4177.6-67.8-74.3000113A42 Q46 L58 V61 A65 R130 M135 A136A42-F63 HydrophobicContact CB-CD1 4.13Å; Q46-F63 HydrophobicContact CB-CE1 4.37Å; L58-F63 HydrophobicContact CD2-CZ 4.2Å; V61-F63 HydrophobicContact CB-CE2 4.03Å; V61-F63 HydrophobicContact CB-CZ 4.07Å; V61-F63 HydrophobicContact CG1-CD1 4.22Å; V61-F63 HydrophobicContact CG1-CD2 4.4Å; V61-F63 HydrophobicContact CG1-CE1 3.95Å; V61-F63 HydrophobicContact CG1-CE2 4.14Å; V61-F63 HydrophobicContact CG1-CG 4.43Å; V61-F63 HydrophobicContact CG1-CZ 3.91Å; V61-F63 PolarHBondContact O-N 2.9Å; F63-A65 VanDerWaalsContact C-N 3.34Å; F63-R130 VanDerWaalsContact CD1-CD 3.49Å; F63-R130 HydrophobicContact CD1-CG 3.86Å; F63-R130 HydrophobicContact CD2-CG 4.33Å; F63-R130 HydrophobicContact CE1-CG 3.62Å; F63-R130 HydrophobicContact CE2-CG 4.11Å; F63-R130 HydrophobicContact CG-CG 4.21Å; F63-R130 HydrophobicContact CZ-CG 3.74Å; F63-M135 HydrophobicContact CD1-CE 3.77Å; F63-M135 HydrophobicContact CD1-CG 4.46Å; F63-M135 HydrophobicContact CE1-CE 4.05Å; F63-M135 WeakPolarHBondContact O-CA 3.45Å; F63-M135 WeakPolarHBondContact O-CG 3.44Å; F63-A136 PolarHBondContact O-N 3.22Å
64Q95.1Very high96.6Very high83 Ų8357.7 Ų57.739%0.38828%0.282SS..THydrogen-bonded Turntrans-94.925.5177.3-71.6-68.8-36.700113.7K62 D134K62-Q64 VanDerWaalsContact C-N 3.29Å; K62-Q64 PolarHBondContact O-N 3.33Å; Q64-D134 PolarHBondContact NE2-O 3.47Å
65A94.8Very high96.8Very high3 Ų355.4 Ų55.43%0.02526%0.259CS..  trans-60.2138.8178.300000111.8K62 F63 E70 F71K62-A65 HydrophobicContact CB-CB 3.92Å; K62-A65 VanDerWaalsContact O-CB 3.32Å; K62-A65 WeakPolarHBondContact O-CB 3.26Å; K62-A65 PolarHBondContact O-N 3.14Å; F63-A65 VanDerWaalsContact C-N 3.34Å; A65-E70 WeakPolarHBondContact CA-OE2 3.37Å; A65-E70 HydrophobicContact CB-CB 3.71Å; A65-F71 HydrophobicContact CB-CD1 3.75Å; A65-F71 HydrophobicContact CB-CE1 3.78Å
66K93.8Very high96.9Very high111 Ų11161.6 Ų61.648%0.48329%0.285SS..  trans-133.7-11.8178.8-65.8-180-175-179.10114.1E70 A136 P139K66-E70 PolarHBondContact N-OE2 3.27Å; K66-A136 HydrophobicContact CG-CB 4.35Å; K66-P139 WeakPolarHBondContact O-CG 3.17Å
67L94.5Very high97Very high67 Ų6762.1 Ų62.135%0.35129%0.288SS..SBendtrans-116.5145.7-177.7-57.6172.9000110.9H69 E70 F71 F145L67-H69 VanDerWaalsContact C-N 3.26Å; L67-H69 PolarHBondContact O-N 3.36Å; L67-H69 VanDerWaalsContact O-N 3.12Å; L67-E70 HydrophobicContact CB-CG 4.15Å; L67-E70 PolarHBondContact N-OE2 2.68Å; L67-E70 WeakPolarHBondContact O-CA 3.34Å; L67-E70 WeakPolarHBondContact O-CB 3.46Å; L67-E70 PolarHBondContact O-N 3.29Å; L67-F71 PolarHBondContact O-N 2.99Å; L67-F145 HydrophobicContact CD2-CD1 4.09Å; L67-F145 HydrophobicContact CD2-CE1 3.53Å; L67-F145 HydrophobicContact CD2-CZ 3.85Å
68E96.5Very high97.1Very high77 Ų7758.2 Ų58.236%0.3627%0.268SS..Hα-helixtrans-53.6-38.8-174.3-168.9-176.7115.700113.7E70 F71 I72 V97 K98E68-E70 PolarHBondContact O-N 3.14Å; E68-F71 WeakPolarHBondContact O-CB 3.5Å; E68-F71 PolarHBondContact O-N 3.48Å; E68-F71 VanDerWaalsContact O-N 3.1Å; E68-I72 HydrophobicContact CG-CD1 4.34Å; E68-I72 WeakPolarHBondContact O-CG1 3.33Å; E68-I72 PolarHBondContact O-N 3.07Å; E68-V97 HydrophobicContact CG-CB 3.95Å; E68-V97 HydrophobicContact CG-CG2 3.74Å; E68-K98 IonicContact OE1-NZ 2.68Å; E68-K98 PolarHBondContact OE1-NZ 3.23Å; E68-K98 WeakPolarHBondContact OE2-CD 3.33Å; E68-K98 IonicContact OE2-NZ 2.66Å; E68-K98 PolarHBondContact OE2-NZ 2.97Å
69H97.5Very high97.3Very high120 Ų12060.9 Ų60.956%0.55628%0.28SS*.Hα-helixtrans-65.3-23178.174.6-96.8000113.3L67 H73L67-H69 VanDerWaalsContact C-N 3.26Å; L67-H69 PolarHBondContact O-N 3.36Å; L67-H69 VanDerWaalsContact O-N 3.12Å; H69-H73 PolarHBondContact O-N 3.48Å
70E98.1Very high97.4Very high34 Ų3454.5 Ų54.516%0.15926%0.262CS..Hα-helixtrans-79.4-35.9174-51.9-167.6104.400111.5K62 A65 K66 L67 E68 H73 N74K62-E70 HydrophobicContact CD-CB 3.71Å; K62-E70 HydrophobicContact CD-CG 4.01Å; K62-E70 WeakPolarHBondContact CD-OE1 3.43Å; K62-E70 IonicContact NZ-OE1 2.79Å; K62-E70 PolarHBondContact NZ-OE1 2.99Å; A65-E70 WeakPolarHBondContact CA-OE2 3.37Å; A65-E70 HydrophobicContact CB-CB 3.71Å; K66-E70 PolarHBondContact N-OE2 3.27Å; L67-E70 HydrophobicContact CB-CG 4.15Å; L67-E70 PolarHBondContact N-OE2 2.68Å; L67-E70 WeakPolarHBondContact O-CA 3.34Å; L67-E70 WeakPolarHBondContact O-CB 3.46Å; L67-E70 PolarHBondContact O-N 3.29Å; E68-E70 PolarHBondContact O-N 3.14Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-N 3.3Å
71F98.5Very high97.5Very high12 Ų1248.7 Ų48.75%0.05324%0.237CC..Hα-helixtrans-64.1-46172.9-54-16.5000110.4C39 A65 L67 E68 H73 N74 F75 V97C39-F71 VanDerWaalsContact O-CB 3.32Å; C39-F71 WeakPolarHBondContact O-CB 3.47Å; A65-F71 HydrophobicContact CB-CD1 3.75Å; A65-F71 HydrophobicContact CB-CE1 3.78Å; L67-F71 PolarHBondContact O-N 2.99Å; E68-F71 WeakPolarHBondContact O-CB 3.5Å; E68-F71 PolarHBondContact O-N 3.48Å; E68-F71 VanDerWaalsContact O-N 3.1Å; F71-H73 VanDerWaalsContact C-N 3.26Å; F71-H73 PolarHBondContact O-N 2.96Å; F71-N74 PolarHBondContact O-N 3.22Å; F71-N74 VanDerWaalsContact O-N 3.14Å; F71-F75 WeakPolarHBondContact O-CD2 3.3Å; F71-F75 PolarHBondContact O-N 2.98Å; F71-V97 HydrophobicContact CB-CB 4.12Å; F71-V97 HydrophobicContact CB-CG1 3.76Å
72I98.5Very high97.5Very high55 Ų5548.4 Ų48.428%0.28224%0.235SC..Hα-helixtrans-57.2-40.3173.2-66.1169.6000111E68 F75 K76 V93 V97E68-I72 HydrophobicContact CG-CD1 4.34Å; E68-I72 WeakPolarHBondContact O-CG1 3.33Å; E68-I72 PolarHBondContact O-N 3.07Å; I72-F75 PolarHBondContact O-N 2.86Å; I72-K76 WeakPolarHBondContact O-CG 3.28Å; I72-K76 PolarHBondContact O-N 3.25Å; I72-V93 HydrophobicContact CG1-CG1 4.5Å; I72-V97 HydrophobicContact CG1-CB 4.36Å; I72-V97 HydrophobicContact CG1-CG1 3.89Å; I72-V97 HydrophobicContact CG1-CG2 4.13Å
73H98.8Very high97.5Very high72 Ų7253.5 Ų53.533%0.33326%0.257SS..Hα-helixtrans-62.6-46.5175.2168.491.9000112K60 H69 E70 F71 F75 K76 V77K60-H73 PolarHBondContact O-NE2 3.1Å; H69-H73 PolarHBondContact O-N 3.48Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 2.83Å; F71-H73 VanDerWaalsContact C-N 3.26Å; F71-H73 PolarHBondContact O-N 2.96Å; H73-F75 PolarHBondContact O-N 3.17Å; H73-K76 PolarHBondContact O-N 3.26Å; H73-V77 PolarHBondContact O-N 2.87Å
74N98.8Very high97.6Very high0 Ų059.6 Ų59.60%028%0.28CS..Hα-helixtrans-60.8-44.1175.3-73.1-15.5000111.7S40 C45 K62 E70 F71 K76 V77 L78S40-N74 VanDerWaalsContact O-CB 3.28Å; S40-N74 WeakPolarHBondContact O-CB 3.21Å; S40-N74 PolarHBondContact O-ND2 2.98Å; C45-N74 PolarHBondContact SG-O 2.92Å; C45-N74 VanDerWaalsContact SG-O 3.37Å; K62-N74 PolarHBondContact N-OD1 2.84Å; K62-N74 PolarHBondContact O-ND2 2.84Å; E70-N74 PolarHBondContact O-N 3.3Å; F71-N74 PolarHBondContact O-N 3.22Å; F71-N74 VanDerWaalsContact O-N 3.14Å; N74-K76 VanDerWaalsContact C-N 3.3Å; N74-K76 PolarHBondContact O-N 3.18Å; N74-V77 WeakPolarHBondContact O-CA 3.4Å; N74-V77 WeakPolarHBondContact O-CB 3.43Å; N74-V77 PolarHBondContact O-N 3.19Å; N74-L78 PolarHBondContact O-N 3.01Å
75F98.8Very high97.7Very high0 Ų057 Ų570%027%0.268CS..Hα-helixtrans-63.4-31.4175.9-82.1-64.3000113.7C39 Y44 F71 I72 H73 V77 L78 Q79 I91 V93 L96 V97C39-F75 VanDerWaalsContact O-CE2 3.3Å; C39-F75 WeakPolarHBondContact O-CE2 3.17Å; Y44-F75 AromaticContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CZ 4.29Å; Y44-F75 HydrophobicContact CE2-CE1 4.32Å; Y44-F75 HydrophobicContact CE2-CZ 4.32Å; F71-F75 WeakPolarHBondContact O-CD2 3.3Å; F71-F75 PolarHBondContact O-N 2.98Å; I72-F75 PolarHBondContact O-N 2.86Å; H73-F75 PolarHBondContact O-N 3.17Å; F75-V77 VanDerWaalsContact C-N 3.34Å; F75-L78 HydrophobicContact CD1-CD2 3.86Å; F75-L78 HydrophobicContact CE1-CD2 4.04Å; F75-L78 WeakPolarHBondContact O-CB 3.4Å; F75-L78 PolarHBondContact O-N 3.49Å; F75-Q79 WeakPolarHBondContact O-CB 3.43Å; F75-Q79 WeakPolarHBondContact O-CG 3.44Å; F75-Q79 PolarHBondContact O-N 3.41Å; F75-I91 HydrophobicContact CD1-CG2 3.82Å; F75-I91 HydrophobicContact CE1-CG2 4.03Å; F75-V93 HydrophobicContact CB-CB 4.38Å; F75-V93 HydrophobicContact CB-CG1 3.68Å; F75-V93 HydrophobicContact CB-CG2 3.82Å; F75-V93 HydrophobicContact CD1-CG2 4.48Å; F75-V93 HydrophobicContact CD2-CG1 4.05Å; F75-V93 HydrophobicContact CG-CG1 4.02Å; F75-V93 HydrophobicContact CG-CG2 4.19Å; F75-L96 HydrophobicContact CD1-CD1 4.46Å; F75-L96 HydrophobicContact CE1-CB 4.43Å; F75-L96 HydrophobicContact CE1-CD1 3.61Å; F75-L96 HydrophobicContact CE2-CB 3.86Å; F75-L96 HydrophobicContact CZ-CB 3.64Å; F75-L96 HydrophobicContact CZ-CD1 3.64Å; F75-L96 HydrophobicContact CZ-CG 4.27Å; F75-V97 HydrophobicContact CD2-CG1 3.46Å; F75-V97 VanDerWaalsContact CD2-CG1 3.46Å; F75-V97 HydrophobicContact CE2-CG1 3.68Å
76K98.6Very high97.8Very high136 Ų13658.1 Ų58.159%0.59128%0.28SS*.Hα-helixtrans-66.5-34.4170.6-75-179.7179.4-1770112.6I72 H73 N74 A80I72-K76 WeakPolarHBondContact O-CG 3.28Å; I72-K76 PolarHBondContact O-N 3.25Å; H73-K76 PolarHBondContact O-N 3.26Å; N74-K76 VanDerWaalsContact C-N 3.3Å; N74-K76 PolarHBondContact O-N 3.18Å; K76-A80 PolarHBondContact O-N 3.17Å
77V98.7Very high98Very high20 Ų2053.4 Ų53.412%0.12126%0.261CS..Hα-helixtrans-65.4-42.9171.4178.40000110.3V56 K60 V61 H73 N74 F75 A80 A81V56-V77 HydrophobicContact CG1-CG1 3.88Å; K60-V77 HydrophobicContact CB-CG2 4.31Å; V61-V77 HydrophobicContact CG2-CG1 4.05Å; H73-V77 PolarHBondContact O-N 2.87Å; N74-V77 WeakPolarHBondContact O-CA 3.4Å; N74-V77 WeakPolarHBondContact O-CB 3.43Å; N74-V77 PolarHBondContact O-N 3.19Å; F75-V77 VanDerWaalsContact C-N 3.34Å; V77-A80 PolarHBondContact O-N 3.37Å; V77-A81 PolarHBondContact O-N 3.01Å
78L98.7Very high98.1Very high0 Ų054.5 Ų54.50%027%0.267CS..Hα-helixtrans-62.2-47.1176.5-172.363.1000112.7Y44 M48 N74 F75 A80 A81 F82 I91Y44-L78 VanDerWaalsContact CB-CD2 3.47Å; Y44-L78 HydrophobicContact CD2-CD2 4.31Å; Y44-L78 HydrophobicContact CG-CD2 4.12Å; M48-L78 HydrophobicContact CB-CD1 4.38Å; M48-L78 HydrophobicContact CG-CD1 3.56Å; N74-L78 PolarHBondContact O-N 3.01Å; F75-L78 HydrophobicContact CD1-CD2 3.86Å; F75-L78 HydrophobicContact CE1-CD2 4.04Å; F75-L78 WeakPolarHBondContact O-CB 3.4Å; F75-L78 PolarHBondContact O-N 3.49Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.18Å; L78-A81 WeakPolarHBondContact O-CB 3.5Å; L78-A81 PolarHBondContact O-N 3.31Å; L78-F82 HydrophobicContact CD1-CD1 4.08Å; L78-F82 HydrophobicContact CD1-CE1 3.73Å; L78-F82 HydrophobicContact CG-CD1 4.18Å; L78-F82 HydrophobicContact CG-CE1 3.96Å; L78-F82 PolarHBondContact O-N 3.41Å; L78-I91 HydrophobicContact CB-CD1 4.35Å; L78-I91 HydrophobicContact CD2-CD1 3.74Å; L78-I91 HydrophobicContact CG-CD1 3.74Å
79Q98.6Very high98.1Very high82 Ų8253.6 Ų53.638%0.38326%0.261SS..Hα-helixtrans-57.7-38.3175.8-75.7176.4-31.400112.3F75 A81 F82 K83 I91F75-Q79 WeakPolarHBondContact O-CB 3.43Å; F75-Q79 WeakPolarHBondContact O-CG 3.44Å; F75-Q79 PolarHBondContact O-N 3.41Å; Q79-A81 VanDerWaalsContact C-N 3.35Å; Q79-F82 PolarHBondContact O-N 3.4Å; Q79-K83 WeakPolarHBondContact O-CB 3.2Å; Q79-K83 PolarHBondContact O-N 2.86Å; Q79-I91 HydrophobicContact CG-CD1 3.92Å
80A98.3Very high98.1Very high55 Ų5554.8 Ų54.846%0.45527%0.271SS..Hα-helixtrans-67.1-34.9176.300000112.6K76 V77 L78 R84K76-A80 PolarHBondContact O-N 3.17Å; V77-A80 PolarHBondContact O-N 3.37Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.18Å; A80-R84 WeakPolarHBondContact O-CB 3.26Å; A80-R84 PolarHBondContact O-N 2.79Å; A80-R84 VanDerWaalsContact O-N 3.1Å
81A98.5Very high98.1Very high1 Ų153.7 Ų53.71%0.00827%0.266CS..Hα-helixtrans-71.2-43.5173.900000112M48 V56 V77 L78 Q79 K83 R84 M85M48-A81 HydrophobicContact CE-CB 4.12Å; V56-A81 HydrophobicContact CG2-CB 3.46Å; V56-A81 VanDerWaalsContact CG2-CB 3.46Å; V77-A81 PolarHBondContact O-N 3.01Å; L78-A81 WeakPolarHBondContact O-CB 3.5Å; L78-A81 PolarHBondContact O-N 3.31Å; Q79-A81 VanDerWaalsContact C-N 3.35Å; A81-K83 PolarHBondContact O-N 3Å; A81-R84 WeakPolarHBondContact O-CB 3.42Å; A81-R84 PolarHBondContact O-N 3.45Å; A81-R84 VanDerWaalsContact O-N 3.14Å; A81-M85 WeakPolarHBondContact O-CG 3.47Å; A81-M85 PolarHBondContact O-N 2.89Å
82F98.4Very high98.1Very high6 Ų655.5 Ų55.53%0.02628%0.278CS..Hα-helixtrans-55-51.6173.4-87.236.3000110.8M48 L78 Q79 R84 M85 G86 V87 K89 I91 F107 W110 F111M48-F82 HydrophobicContact CE-CD1 3.98Å; M48-F82 HydrophobicContact CE-CE1 4.29Å; M48-F82 HydrophobicContact CG-CD1 4.36Å; M48-F82 HydrophobicContact CG-CE1 4Å; M48-F82 HydrophobicContact SD-CD1 4.05Å; M48-F82 HydrophobicContact SD-CE1 3.73Å; L78-F82 HydrophobicContact CD1-CD1 4.08Å; L78-F82 HydrophobicContact CD1-CE1 3.73Å; L78-F82 HydrophobicContact CG-CD1 4.18Å; L78-F82 HydrophobicContact CG-CE1 3.96Å; L78-F82 PolarHBondContact O-N 3.41Å; Q79-F82 PolarHBondContact O-N 3.4Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 3.28Å; F82-M85 PolarHBondContact O-N 3.31Å; F82-M85 VanDerWaalsContact O-N 3.16Å; F82-G86 PolarHBondContact O-N 3.08Å; F82-V87 HydrophobicContact CB-CB 3.88Å; F82-V87 HydrophobicContact CB-CG1 4.5Å; F82-V87 HydrophobicContact CB-CG2 4.49Å; F82-V87 HydrophobicContact CD1-CB 4.42Å; F82-V87 HydrophobicContact CD1-CG2 4.47Å; F82-V87 HydrophobicContact CD2-CB 3.8Å; F82-V87 HydrophobicContact CD2-CG1 3.44Å; F82-V87 VanDerWaalsContact CD2-CG1 3.44Å; F82-V87 HydrophobicContact CE2-CB 4.43Å; F82-V87 HydrophobicContact CE2-CG1 3.65Å; F82-V87 HydrophobicContact CG-CB 3.79Å; F82-V87 HydrophobicContact CG-CG1 3.93Å; F82-V87 HydrophobicContact CG-CG2 4.3Å; F82-V87 HydrophobicContact CZ-CG1 4.27Å; F82-V87 PolarHBondContact O-N 3.35Å; F82-K89 HydrophobicContact CE2-CB 4.46Å; F82-I91 HydrophobicContact CD1-CD1 4.37Å; F82-I91 HydrophobicContact CD2-CD1 3.68Å; F82-I91 HydrophobicContact CD2-CG1 3.86Å; F82-I91 HydrophobicContact CE1-CD1 4.39Å; F82-I91 HydrophobicContact CE2-CD1 3.68Å; F82-I91 HydrophobicContact CE2-CG1 3.7Å; F82-I91 HydrophobicContact CG-CD1 4.05Å; F82-I91 HydrophobicContact CZ-CD1 4.05Å; F82-I91 HydrophobicContact CZ-CG1 4.43Å; F82-F107 HydrophobicContact CZ-CZ 4.36Å; F82-W110 AromaticContact CE2-CH2 3.76Å; F82-W110 HydrophobicContact CE2-CH2 3.76Å; F82-W110 AromaticContact CE2-CZ3 3.92Å; F82-W110 HydrophobicContact CE2-CZ3 3.92Å; F82-W110 AromaticContact CZ-CH2 3.87Å; F82-W110 HydrophobicContact CZ-CH2 3.87Å; F82-W110 AromaticContact CZ-CZ3 3.82Å; F82-W110 HydrophobicContact CZ-CZ3 3.82Å; F82-F111 HydrophobicContact CE1-CE2 4.23Å; F82-F111 HydrophobicContact CZ-CD2 4.34Å; F82-F111 HydrophobicContact CZ-CE2 4.2Å
83K97.9Very high98.1Very high182 Ų18253.9 Ų53.979%0.79127%0.271SS*.Hα-helixtrans-59.1-38176.7-175.8173.7-178.5175.10113Q79 A81Q79-K83 WeakPolarHBondContact O-CB 3.2Å; Q79-K83 PolarHBondContact O-N 2.86Å; A81-K83 PolarHBondContact O-N 3Å
84R97.8Very high98Very high136 Ų13658.3 Ų58.351%0.51329%0.292SS..Hα-helixtrans-67.7-37.6177.5-175.4-177.2-61.6-170.12.7112.4G54 C55 A80 A81 F82G54-R84 PolarHBondContact O-NH1 3.2Å; C55-R84 PolarHBondContact O-NH1 3.47Å; A80-R84 WeakPolarHBondContact O-CB 3.26Å; A80-R84 PolarHBondContact O-N 2.79Å; A80-R84 VanDerWaalsContact O-N 3.1Å; A81-R84 WeakPolarHBondContact O-CB 3.42Å; A81-R84 PolarHBondContact O-N 3.45Å; A81-R84 VanDerWaalsContact O-N 3.14Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 3.28Å
85M98.1Very high97.9Very high27 Ų2763.8 Ų63.813%0.13332%0.316CS..Hα-helixtrans-87.3-9.5-177.2-65.2-51.6-54.300113.8M1 A2 M48 F52 C55 A81 F82 V87M1-M85 CarbonylContact C-O 3.58Å; M1-M85 VanDerWaalsContact CA-O 3.26Å; M1-M85 WeakPolarHBondContact CA-O 3.49Å; A2-M85 HydrophobicContact CB-CB 4.17Å; A2-M85 PolarHBondContact N-O 3.34Å; M48-M85 HydrophobicContact CE-CB 4.37Å; M48-M85 HydrophobicContact CE-CG 3.96Å; F52-M85 HydrophobicContact CB-CE 3.88Å; F52-M85 HydrophobicContact CB-CG 4.32Å; F52-M85 HydrophobicContact CB-SD 3.84Å; F52-M85 HydrophobicContact CD1-CE 3.39Å; F52-M85 HydrophobicContact CD1-SD 4.47Å; F52-M85 HydrophobicContact CD2-CE 3.94Å; F52-M85 HydrophobicContact CD2-CG 3.83Å; F52-M85 HydrophobicContact CD2-SD 4.3Å; F52-M85 HydrophobicContact CE1-CE 3.81Å; F52-M85 HydrophobicContact CE2-CE 4.3Å; F52-M85 HydrophobicContact CE2-CG 4.36Å; F52-M85 HydrophobicContact CG-CE 3.45Å; F52-M85 VanDerWaalsContact CG-CE 3.45Å; F52-M85 HydrophobicContact CG-CG 4.13Å; F52-M85 HydrophobicContact CG-SD 3.96Å; F52-M85 HydrophobicContact CZ-CE 4.23Å; C55-M85 HydrophobicContact CB-CG 3.88Å; C55-M85 HydrophobicContact CB-SD 3.73Å; A81-M85 WeakPolarHBondContact O-CG 3.47Å; A81-M85 PolarHBondContact O-N 2.89Å; F82-M85 PolarHBondContact O-N 3.31Å; F82-M85 VanDerWaalsContact O-N 3.16Å; M85-V87 HydrophobicContact CB-CG2 4.12Å
86G97.4Very high97.9Very high27 Ų2763.8 Ų63.828%0.27832%0.316SS..THydrogen-bonded Turntrans81.125.9-176.400000113.7N4 F82N4-G86 PolarHBondContact ND2-O 2.81Å; F82-G86 PolarHBondContact O-N 3.08Å
87V98.1Very high97.9Very high13 Ų1357.5 Ų57.58%0.07929%0.289CS..  trans-76.8122.3176.4-174.20000109.2A2 N4 F82 M85 K89 W110 F114A2-V87 HydrophobicContact CB-CG2 3.84Å; N4-V87 VanDerWaalsContact OD1-CA 3.26Å; N4-V87 WeakPolarHBondContact OD1-CA 3.43Å; F82-V87 HydrophobicContact CB-CB 3.88Å; F82-V87 HydrophobicContact CB-CG1 4.5Å; F82-V87 HydrophobicContact CB-CG2 4.49Å; F82-V87 HydrophobicContact CD1-CB 4.42Å; F82-V87 HydrophobicContact CD1-CG2 4.47Å; F82-V87 HydrophobicContact CD2-CB 3.8Å; F82-V87 HydrophobicContact CD2-CG1 3.44Å; F82-V87 VanDerWaalsContact CD2-CG1 3.44Å; F82-V87 HydrophobicContact CE2-CB 4.43Å; F82-V87 HydrophobicContact CE2-CG1 3.65Å; F82-V87 HydrophobicContact CG-CB 3.79Å; F82-V87 HydrophobicContact CG-CG1 3.93Å; F82-V87 HydrophobicContact CG-CG2 4.3Å; F82-V87 HydrophobicContact CZ-CG1 4.27Å; F82-V87 PolarHBondContact O-N 3.35Å; M85-V87 HydrophobicContact CB-CG2 4.12Å; V87-K89 HydrophobicContact CG1-CB 4.27Å; V87-W110 HydrophobicContact CG1-CH2 3.96Å; V87-W110 HydrophobicContact CG1-CZ2 4.3Å; V87-F114 HydrophobicContact CG1-CE2 4.1Å; V87-F114 HydrophobicContact CG1-CZ 4.4Å; V87-F114 HydrophobicContact CG2-CE2 3.75Å; V87-F114 HydrophobicContact CG2-CZ 3.55Å
88D95.1Very high97.8Very high89 Ų8962 Ų6248%0.47631%0.307SS..  trans-90.6-16.9-174.662.29.7000114N4 H6 I90N4-D88 PolarHBondContact OD1-N 2.66Å; N4-D88 PolarHBondContact OD1-OD1 3.37Å; H6-D88 IonicContact CE1-OD1 2.72Å; H6-D88 IonicContact CE1-OD2 3.49Å; H6-D88 PolarHBondContact CE1-OD2 2.68Å; D88-I90 PolarHBondContact O-N 3.07Å; D88-I90 VanDerWaalsContact O-N 3.14Å
89K97.1Very high97.6Very high58 Ų5863 Ų6325%0.25232%0.318SS..PPolyproline II helixtrans-59.5117.3177.9-177.566177.4-89.80111.6F82 V87 I91 W110F82-K89 HydrophobicContact CE2-CB 4.46Å; V87-K89 HydrophobicContact CG1-CB 4.27Å; K89-I91 PolarHBondContact O-N 3.25Å; K89-W110 HydrophobicContact CB-CD2 4.36Å; K89-W110 HydrophobicContact CB-CH2 3.51Å; K89-W110 HydrophobicContact CB-CZ2 3.24Å; K89-W110 HydrophobicContact CB-CZ3 4.14Å; K89-W110 HydrophobicContact CD-CD2 4.13Å; K89-W110 HydrophobicContact CD-CG 4.44Å; K89-W110 HydrophobicContact CD-CZ2 4.43Å; K89-W110 HydrophobicContact CG-CD2 3.72Å; K89-W110 HydrophobicContact CG-CE3 3.84Å; K89-W110 HydrophobicContact CG-CH2 3.74Å; K89-W110 HydrophobicContact CG-CZ2 3.58Å; K89-W110 HydrophobicContact CG-CZ3 3.85Å; K89-W110 VanDerWaalsContact NZ-CD1 3.34Å
90I97.1Very high97.4Very high146 Ų14665.2 Ų65.275%0.74933%0.326SS*.PPolyproline II helixtrans-67.6128.6170.8-58.3175.5000109.2D88 P92D88-I90 PolarHBondContact O-N 3.07Å; D88-I90 VanDerWaalsContact O-N 3.14Å; I90-P92 WeakPolarHBondContact O-CD 3.43Å
91I98.3Very high97.3Very high11 Ų1166.5 Ų66.56%0.05632%0.321CS..PPolyproline II helixtrans-89.8117.8176.7-51.4-179.4000108.5F75 L78 Q79 F82 K89 V93 L96 F107F75-I91 HydrophobicContact CD1-CG2 3.82Å; F75-I91 HydrophobicContact CE1-CG2 4.03Å; L78-I91 HydrophobicContact CB-CD1 4.35Å; L78-I91 HydrophobicContact CD2-CD1 3.74Å; L78-I91 HydrophobicContact CG-CD1 3.74Å; Q79-I91 HydrophobicContact CG-CD1 3.92Å; F82-I91 HydrophobicContact CD1-CD1 4.37Å; F82-I91 HydrophobicContact CD2-CD1 3.68Å; F82-I91 HydrophobicContact CD2-CG1 3.86Å; F82-I91 HydrophobicContact CE1-CD1 4.39Å; F82-I91 HydrophobicContact CE2-CD1 3.68Å; F82-I91 HydrophobicContact CE2-CG1 3.7Å; F82-I91 HydrophobicContact CG-CD1 4.05Å; F82-I91 HydrophobicContact CZ-CD1 4.05Å; F82-I91 HydrophobicContact CZ-CG1 4.43Å; K89-I91 PolarHBondContact O-N 3.25Å; I91-V93 HydrophobicContact CB-CG2 4.24Å; I91-V93 HydrophobicContact CG2-CG2 3.9Å; I91-V93 PolarHBondContact O-N 3.39Å; I91-L96 HydrophobicContact CG2-CD1 3.71Å; I91-F107 HydrophobicContact CB-CE2 4.28Å; I91-F107 HydrophobicContact CB-CZ 4.4Å; I91-F107 HydrophobicContact CD1-CZ 4.44Å; I91-F107 HydrophobicContact CG1-CE2 4.1Å; I91-F107 HydrophobicContact CG1-CZ 4.02Å; I91-F107 HydrophobicContact CG2-CE2 4.02Å; I91-F107 HydrophobicContact CG2-CZ 3.91Å
92P97.9Very high97.1Very high49 Ų4972.8 Ų72.832%0.31835%0.35SS..  trans-79.262.3-178.932.3-34.5000111.6I90 E94 K95 L96I90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-E94 VanDerWaalsContact C-N 3.32Å; P92-E94 PolarHBondContact O-N 3.28Å; P92-K95 HydrophobicContact CB-CG 4.43Å; P92-K95 PolarHBondContact O-N 3.02Å; P92-L96 HydrophobicContact CG-CD1 4.22Å; P92-L96 HydrophobicContact CG-CG 4.11Å; P92-L96 PolarHBondContact O-N 3.34Å; P92-L96 VanDerWaalsContact O-N 3.09Å
93V98.4Very high97Very high22 Ų2273.7 Ų73.713%0.13336%0.356CS..Hα-helixtrans-49.7-48.2-169.8-179.20000112.6I72 F75 I91 K95 L96 V97I72-V93 HydrophobicContact CG1-CG1 4.5Å; F75-V93 HydrophobicContact CB-CB 4.38Å; F75-V93 HydrophobicContact CB-CG1 3.68Å; F75-V93 HydrophobicContact CB-CG2 3.82Å; F75-V93 HydrophobicContact CD1-CG2 4.48Å; F75-V93 HydrophobicContact CD2-CG1 4.05Å; F75-V93 HydrophobicContact CG-CG1 4.02Å; F75-V93 HydrophobicContact CG-CG2 4.19Å; I91-V93 HydrophobicContact CB-CG2 4.24Å; I91-V93 HydrophobicContact CG2-CG2 3.9Å; I91-V93 PolarHBondContact O-N 3.39Å; V93-K95 PolarHBondContact O-N 3.32Å; V93-K95 VanDerWaalsContact O-N 3.16Å; V93-L96 PolarHBondContact O-N 3.09Å; V93-V97 HydrophobicContact CG1-CG1 3.94Å; V93-V97 WeakPolarHBondContact O-CG1 3.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.01Å
94E97.2Very high97Very high165 Ų16565 Ų6577%0.77132%0.318SS*.Hα-helixtrans-59.4-27.4-177.9-64.7-176.7178.600114P92 K98P92-E94 VanDerWaalsContact C-N 3.32Å; P92-E94 PolarHBondContact O-N 3.28Å; E94-K98 VanDerWaalsContact O-CG 3.28Å; E94-K98 WeakPolarHBondContact O-CG 3.47Å
95K97.7Very high96.9Very high114 Ų11460.2 Ų60.250%0.49630%0.301SS..Hα-helixtrans-85.8-46.7175.6-53.7-163.1-172.9179.50111.4P92 V93 V97 K98 D103P92-K95 HydrophobicContact CB-CG 4.43Å; P92-K95 PolarHBondContact O-N 3.02Å; V93-K95 PolarHBondContact O-N 3.32Å; V93-K95 VanDerWaalsContact O-N 3.16Å; K95-V97 PolarHBondContact O-N 2.94Å; K95-K98 WeakPolarHBondContact O-CB 3.34Å; K95-K98 PolarHBondContact O-N 3.11Å; K95-D103 HydrophobicContact CB-CB 3.93Å; K95-D103 WeakPolarHBondContact CD-OD1 3.4Å; K95-D103 IonicContact NZ-OD1 3.71Å
96L98.3Very high96.8Very high0 Ų064.6 Ų64.60%032%0.321CS..Hα-helixtrans-58.7-46.9-177-64.9176.5000112C39 F75 I91 P92 V93 K98 G99 D103 N104 F107C39-L96 WeakPolarHBondContact CB-O 3.46Å; F75-L96 HydrophobicContact CD1-CD1 4.46Å; F75-L96 HydrophobicContact CE1-CB 4.43Å; F75-L96 HydrophobicContact CE1-CD1 3.61Å; F75-L96 HydrophobicContact CE2-CB 3.86Å; F75-L96 HydrophobicContact CZ-CB 3.64Å; F75-L96 HydrophobicContact CZ-CD1 3.64Å; F75-L96 HydrophobicContact CZ-CG 4.27Å; I91-L96 HydrophobicContact CG2-CD1 3.71Å; P92-L96 HydrophobicContact CG-CD1 4.22Å; P92-L96 HydrophobicContact CG-CG 4.11Å; P92-L96 PolarHBondContact O-N 3.34Å; P92-L96 VanDerWaalsContact O-N 3.09Å; V93-L96 PolarHBondContact O-N 3.09Å; L96-K98 PolarHBondContact O-N 2.84Å; L96-K98 VanDerWaalsContact O-N 3.09Å; L96-G99 PolarHBondContact O-N 3.19Å; L96-D103 HydrophobicContact CD2-CB 4.46Å; L96-D103 VanDerWaalsContact CD2-O 3.26Å; L96-D103 WeakPolarHBondContact CD2-O 3.3Å; L96-N104 HydrophobicContact CD2-CB 4.39Å; L96-N104 PolarHBondContact O-ND2 2.86Å; L96-N104 VanDerWaalsContact O-ND2 3.08Å; L96-F107 HydrophobicContact CD1-CB 4.35Å; L96-F107 HydrophobicContact CD1-CD1 3.88Å; L96-F107 HydrophobicContact CD1-CD2 4.26Å; L96-F107 HydrophobicContact CD1-CE1 4.26Å; L96-F107 HydrophobicContact CD1-CG 3.88Å; L96-F107 HydrophobicContact CD2-CB 3.72Å; L96-F107 HydrophobicContact CD2-CD1 4.48Å; L96-F107 HydrophobicContact CD2-CG 4.18Å
97V98.1Very high96.9Very high5 Ų563.5 Ų63.53%0.0331%0.308CS..THydrogen-bonded Turntrans-65.2-13.8-177.2-59.30000114.1E68 F71 I72 F75 V93 K95 G99E68-V97 HydrophobicContact CG-CB 3.95Å; E68-V97 HydrophobicContact CG-CG2 3.74Å; F71-V97 HydrophobicContact CB-CB 4.12Å; F71-V97 HydrophobicContact CB-CG1 3.76Å; I72-V97 HydrophobicContact CG1-CB 4.36Å; I72-V97 HydrophobicContact CG1-CG1 3.89Å; I72-V97 HydrophobicContact CG1-CG2 4.13Å; F75-V97 HydrophobicContact CD2-CG1 3.46Å; F75-V97 VanDerWaalsContact CD2-CG1 3.46Å; F75-V97 HydrophobicContact CE2-CG1 3.68Å; V93-V97 HydrophobicContact CG1-CG1 3.94Å; V93-V97 WeakPolarHBondContact O-CG1 3.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.01Å; K95-V97 PolarHBondContact O-N 2.94Å; V97-G99 PolarHBondContact O-N 3.12Å
98K96.7Very high96.9Very high114 Ų11462.9 Ų62.950%0.49631%0.305SS..THydrogen-bonded Turntrans-78.5-4.4174.1-57.1-64.6170.3-170.60113.3E68 E94 K95 L96 K100E68-K98 IonicContact OE1-NZ 2.68Å; E68-K98 PolarHBondContact OE1-NZ 3.23Å; E68-K98 WeakPolarHBondContact OE2-CD 3.33Å; E68-K98 IonicContact OE2-NZ 2.66Å; E68-K98 PolarHBondContact OE2-NZ 2.97Å; E94-K98 VanDerWaalsContact O-CG 3.28Å; E94-K98 WeakPolarHBondContact O-CG 3.47Å; K95-K98 WeakPolarHBondContact O-CB 3.34Å; K95-K98 PolarHBondContact O-N 3.11Å; L96-K98 PolarHBondContact O-N 2.84Å; L96-K98 VanDerWaalsContact O-N 3.09Å; K98-K100 HydrophobicContact CB-CG 4.28Å; K98-K100 PolarHBondContact O-N 3.5Å
99G95Very high96.9Very high22 Ų2261 Ų6123%0.22729%0.293CS..THydrogen-bonded Turntrans65.225.717900000113.7E36 L96 V97E36-G99 WeakPolarHBondContact CB-O 3.42Å; E36-G99 WeakPolarHBondContact CG-O 3.37Å; L96-G99 PolarHBondContact O-N 3.19Å; V97-G99 PolarHBondContact O-N 3.12Å
100K93.9Very high96.9Very high128 Ų12859.3 Ų59.356%0.55729%0.285SS*.  trans-74.9133.3174.5-68.2-169.3174.8-167.30110.4K98 N104K98-K100 HydrophobicContact CB-CG 4.28Å; K98-K100 PolarHBondContact O-N 3.5Å; K100-N104 WeakPolarHBondContact O-CB 3.31Å; K100-N104 PolarHBondContact O-N 3.03Å; K100-N104 PolarHBondContact O-ND2 2.81Å
101F95.4Very high96.9Very high82 Ų8252.4 Ų52.436%0.3625%0.25SC..Hα-helixtrans-56.3-55.5-179.5176.3-98.7000112.1R17 I35 E36 D103 N104 F105R17-F101 HydrophobicContact CG-CE2 4.17Å; R17-F101 HydrophobicContact CG-CZ 4.46Å; I35-F101 HydrophobicContact CB-CD2 3.98Å; I35-F101 HydrophobicContact CB-CE2 3.86Å; I35-F101 HydrophobicContact CG1-CD2 4.48Å; I35-F101 HydrophobicContact CG1-CE2 3.86Å; I35-F101 HydrophobicContact CG2-CD2 4.41Å; I35-F101 HydrophobicContact CG2-CE2 4.37Å; E36-F101 HydrophobicContact CG-CB 4.12Å; F101-D103 PolarHBondContact O-N 3.26Å; F101-N104 PolarHBondContact O-N 2.99Å; F101-F105 HydrophobicContact CE1-CB 4.2Å; F101-F105 HydrophobicContact CE1-CD1 4.17Å; F101-F105 HydrophobicContact CE1-CG 4.27Å; F101-F105 HydrophobicContact CE2-CB 4.35Å; F101-F105 HydrophobicContact CE2-CG 4.36Å; F101-F105 HydrophobicContact CZ-CB 4.06Å; F101-F105 AromaticContact CZ-CD1 3.97Å; F101-F105 HydrophobicContact CZ-CD1 3.97Å; F101-F105 HydrophobicContact CZ-CD2 4.28Å; F101-F105 AromaticContact CZ-CG 3.85Å; F101-F105 HydrophobicContact CZ-CG 3.85Å; F101-F105 VanDerWaalsContact O-CB 3.3Å; F101-F105 WeakPolarHBondContact O-CB 3.13Å; F101-F105 PolarHBondContact O-N 3.38Å
102Q94.8Very high96.9Very high132 Ų13253.4 Ų53.462%0.61725%0.254SS*.Hα-helixtrans-55.4-53.4-174.7-177.1178.5-14.700112.9N104 F105 E106Q102-N104 VanDerWaalsContact C-N 3.34Å; Q102-N104 PolarHBondContact O-N 3.32Å; Q102-F105 PolarHBondContact O-N 2.88Å; Q102-E106 WeakPolarHBondContact O-CB 3.27Å; Q102-E106 PolarHBondContact O-N 3.14Å
103D96.3Very high96.7Very high25 Ų2554.7 Ų54.713%0.13425%0.254CS..Hα-helixtrans-63.4-38.7-178.6-61-69.5000112.3K95 L96 F101 F107K95-D103 HydrophobicContact CB-CB 3.93Å; K95-D103 WeakPolarHBondContact CD-OD1 3.4Å; K95-D103 IonicContact NZ-OD1 3.71Å; L96-D103 HydrophobicContact CD2-CB 4.46Å; L96-D103 VanDerWaalsContact CD2-O 3.26Å; L96-D103 WeakPolarHBondContact CD2-O 3.3Å; F101-D103 PolarHBondContact O-N 3.26Å; D103-F107 WeakPolarHBondContact O-CB 3.32Å; D103-F107 PolarHBondContact O-N 3.29Å
104N98.1Very high96.7Very high0 Ų053.7 Ų53.70%025%0.248CC..Hα-helixtrans-72.6-35.4177.3-77.8-85.7000112.1I35 C39 L96 K100 F101 Q102 V108I35-N104 HydrophobicContact CG2-CB 4.01Å; C39-N104 PolarHBondContact N-OD1 2.83Å; L96-N104 HydrophobicContact CD2-CB 4.39Å; L96-N104 PolarHBondContact O-ND2 2.86Å; L96-N104 VanDerWaalsContact O-ND2 3.08Å; K100-N104 WeakPolarHBondContact O-CB 3.31Å; K100-N104 PolarHBondContact O-N 3.03Å; K100-N104 PolarHBondContact O-ND2 2.81Å; F101-N104 PolarHBondContact O-N 2.99Å; Q102-N104 VanDerWaalsContact C-N 3.34Å; Q102-N104 PolarHBondContact O-N 3.32Å; N104-V108 WeakPolarHBondContact O-CB 3.35Å; N104-V108 WeakPolarHBondContact O-CG1 3.34Å; N104-V108 PolarHBondContact O-N 2.92Å
105F97Very high96.7Very high35 Ų3546.2 Ų46.215%0.15421%0.213CC..Hα-helixtrans-72.3-41.5179.6-164.5-126000112R17 M20 I35 F101 Q102 F107 V108 Q109R17-F105 HydrophobicContact CB-CE2 4.46Å; M20-F105 HydrophobicContact CB-CE2 4.34Å; M20-F105 HydrophobicContact CG-CE2 4.46Å; I35-F105 HydrophobicContact CD1-CD2 4.1Å; I35-F105 HydrophobicContact CD1-CE2 4.38Å; I35-F105 HydrophobicContact CG1-CD2 3.97Å; I35-F105 HydrophobicContact CG1-CE2 4.46Å; I35-F105 HydrophobicContact CG2-CB 3.97Å; I35-F105 HydrophobicContact CG2-CD2 4.04Å; I35-F105 HydrophobicContact CG2-CG 4.49Å; F101-F105 HydrophobicContact CE1-CB 4.2Å; F101-F105 HydrophobicContact CE1-CD1 4.17Å; F101-F105 HydrophobicContact CE1-CG 4.27Å; F101-F105 HydrophobicContact CE2-CB 4.35Å; F101-F105 HydrophobicContact CE2-CG 4.36Å; F101-F105 HydrophobicContact CZ-CB 4.06Å; F101-F105 AromaticContact CZ-CD1 3.97Å; F101-F105 HydrophobicContact CZ-CD1 3.97Å; F101-F105 HydrophobicContact CZ-CD2 4.28Å; F101-F105 AromaticContact CZ-CG 3.85Å; F101-F105 HydrophobicContact CZ-CG 3.85Å; F101-F105 VanDerWaalsContact O-CB 3.3Å; F101-F105 WeakPolarHBondContact O-CB 3.13Å; F101-F105 PolarHBondContact O-N 3.38Å; Q102-F105 PolarHBondContact O-N 2.88Å; F105-F107 VanDerWaalsContact C-N 3.34Å; F105-F107 PolarHBondContact O-N 3.24Å; F105-V108 HydrophobicContact CD2-CG1 4.03Å; F105-V108 WeakPolarHBondContact O-CG1 3.44Å; F105-V108 PolarHBondContact O-N 3.17Å; F105-Q109 HydrophobicContact CE2-CG 4.44Å; F105-Q109 HydrophobicContact CZ-CG 4.35Å; F105-Q109 WeakPolarHBondContact O-CB 3.34Å; F105-Q109 WeakPolarHBondContact O-CG 3.47Å; F105-Q109 PolarHBondContact O-N 2.86Å
106E96Very high96.6Very high119 Ų11944.9 Ų44.956%0.55621%0.211SC*.Hα-helixtrans-58.8-46.4172.2-170.3-160.914100111.2Q102 W110Q102-E106 WeakPolarHBondContact O-CB 3.27Å; Q102-E106 PolarHBondContact O-N 3.14Å; E106-W110 PolarHBondContact O-N 3.39Å
107F97.9Very high96.5Very high4 Ų447 Ų472%0.01823%0.229CC..Hα-helixtrans-68.6-40.7-179-172.4-99.3000112.6Y44 F82 I91 L96 D103 F105 W110 F111Y44-F107 HydrophobicContact CD1-CE1 4.15Å; Y44-F107 HydrophobicContact CD2-CE1 4.19Å; Y44-F107 AromaticContact CE1-CD1 3.96Å; Y44-F107 HydrophobicContact CE1-CD1 3.96Å; Y44-F107 AromaticContact CE1-CE1 3.92Å; Y44-F107 HydrophobicContact CE1-CE1 3.92Å; Y44-F107 AromaticContact CE2-CD1 3.93Å; Y44-F107 HydrophobicContact CE2-CD1 3.93Å; Y44-F107 AromaticContact CE2-CE1 3.98Å; Y44-F107 HydrophobicContact CE2-CE1 3.98Å; Y44-F107 HydrophobicContact CG-CE1 4.28Å; Y44-F107 AromaticContact CZ-CD1 3.57Å; Y44-F107 AromaticContact CZ-CE1 3.84Å; F82-F107 HydrophobicContact CZ-CZ 4.36Å; I91-F107 HydrophobicContact CB-CE2 4.28Å; I91-F107 HydrophobicContact CB-CZ 4.4Å; I91-F107 HydrophobicContact CD1-CZ 4.44Å; I91-F107 HydrophobicContact CG1-CE2 4.1Å; I91-F107 HydrophobicContact CG1-CZ 4.02Å; I91-F107 HydrophobicContact CG2-CE2 4.02Å; I91-F107 HydrophobicContact CG2-CZ 3.91Å; L96-F107 HydrophobicContact CD1-CB 4.35Å; L96-F107 HydrophobicContact CD1-CD1 3.88Å; L96-F107 HydrophobicContact CD1-CD2 4.26Å; L96-F107 HydrophobicContact CD1-CE1 4.26Å; L96-F107 HydrophobicContact CD1-CG 3.88Å; L96-F107 HydrophobicContact CD2-CB 3.72Å; L96-F107 HydrophobicContact CD2-CD1 4.48Å; L96-F107 HydrophobicContact CD2-CG 4.18Å; D103-F107 WeakPolarHBondContact O-CB 3.32Å; D103-F107 PolarHBondContact O-N 3.29Å; F105-F107 VanDerWaalsContact C-N 3.34Å; F105-F107 PolarHBondContact O-N 3.24Å; F107-W110 HydrophobicContact CD2-CE3 4.42Å; F107-W110 HydrophobicContact CE2-CE3 4.05Å; F107-W110 HydrophobicContact CE2-CZ3 4.13Å; F107-W110 HydrophobicContact CZ-CE3 4.35Å; F107-W110 HydrophobicContact CZ-CZ3 4.14Å; F107-W110 PolarHBondContact O-N 2.86Å; F107-F111 HydrophobicContact CE1-CD2 4.26Å; F107-F111 WeakPolarHBondContact O-CB 3.38Å; F107-F111 PolarHBondContact O-N 3.23Å
108V98.1Very high96.5Very high0 Ų047.8 Ų47.80%023%0.233CC..Hα-helixtrans-70.4-34.4178.378.70000112.6M20 W23 L24 I35 L38 Y44 N104 F105 W110 F111 K112M20-V108 HydrophobicContact CE-CG1 4.1Å; M20-V108 HydrophobicContact CG-CG1 3.74Å; M20-V108 HydrophobicContact CG-CG2 4.12Å; M20-V108 HydrophobicContact SD-CB 4.46Å; M20-V108 HydrophobicContact SD-CG1 3.98Å; M20-V108 HydrophobicContact SD-CG2 3.77Å; W23-V108 HydrophobicContact CZ3-CG2 4.29Å; L24-V108 HydrophobicContact CD1-CG2 4.39Å; L24-V108 HydrophobicContact CD2-CG2 4.32Å; I35-V108 HydrophobicContact CD1-CG1 4.48Å; I35-V108 HydrophobicContact CG2-CG1 4.38Å; L38-V108 HydrophobicContact CD1-CB 3.81Å; L38-V108 HydrophobicContact CD1-CG1 4.18Å; L38-V108 HydrophobicContact CD1-CG2 3.63Å; Y44-V108 HydrophobicContact CE1-CB 4.46Å; Y44-V108 HydrophobicContact CE1-CG2 4.17Å; Y44-V108 WeakPolarHBondContact OH-CB 3.41Å; N104-V108 WeakPolarHBondContact O-CB 3.35Å; N104-V108 WeakPolarHBondContact O-CG1 3.34Å; N104-V108 PolarHBondContact O-N 2.92Å; F105-V108 HydrophobicContact CD2-CG1 4.03Å; F105-V108 WeakPolarHBondContact O-CG1 3.44Å; F105-V108 PolarHBondContact O-N 3.17Å; V108-W110 PolarHBondContact O-N 2.81Å; V108-F111 PolarHBondContact O-N 3.41Å; V108-F111 VanDerWaalsContact O-N 3.17Å; V108-K112 PolarHBondContact O-N 3.46Å
109Q95.6Very high96.5Very high51 Ų5146.5 Ų46.524%0.23823%0.225CC..Hα-helixtrans-60.6-45.1172.6-79.9-166.70.400111.8M20 F105 K113M20-Q109 HydrophobicContact CE-CB 4.46Å; M20-Q109 HydrophobicContact CE-CG 3.92Å; F105-Q109 HydrophobicContact CE2-CG 4.44Å; F105-Q109 HydrophobicContact CZ-CG 4.35Å; F105-Q109 WeakPolarHBondContact O-CB 3.34Å; F105-Q109 WeakPolarHBondContact O-CG 3.47Å; F105-Q109 PolarHBondContact O-N 2.86Å; Q109-K113 PolarHBondContact O-N 3.16Å
110W96.6Very high96.6Very high22 Ų2250.7 Ų50.78%0.08324%0.243CC..Hα-helixtrans-63.3-42.7172.3171.385.2000111.6V5 F82 V87 K89 E106 F107 V108 K112 K113 F114V5-W110 HydrophobicContact CG2-CZ2 4.41Å; V5-W110 PolarHBondContact O-NE1 3.42Å; F82-W110 AromaticContact CE2-CH2 3.76Å; F82-W110 HydrophobicContact CE2-CH2 3.76Å; F82-W110 AromaticContact CE2-CZ3 3.92Å; F82-W110 HydrophobicContact CE2-CZ3 3.92Å; F82-W110 AromaticContact CZ-CH2 3.87Å; F82-W110 HydrophobicContact CZ-CH2 3.87Å; F82-W110 AromaticContact CZ-CZ3 3.82Å; F82-W110 HydrophobicContact CZ-CZ3 3.82Å; V87-W110 HydrophobicContact CG1-CH2 3.96Å; V87-W110 HydrophobicContact CG1-CZ2 4.3Å; K89-W110 HydrophobicContact CB-CD2 4.36Å; K89-W110 HydrophobicContact CB-CH2 3.51Å; K89-W110 HydrophobicContact CB-CZ2 3.24Å; K89-W110 HydrophobicContact CB-CZ3 4.14Å; K89-W110 HydrophobicContact CD-CD2 4.13Å; K89-W110 HydrophobicContact CD-CG 4.44Å; K89-W110 HydrophobicContact CD-CZ2 4.43Å; K89-W110 HydrophobicContact CG-CD2 3.72Å; K89-W110 HydrophobicContact CG-CE3 3.84Å; K89-W110 HydrophobicContact CG-CH2 3.74Å; K89-W110 HydrophobicContact CG-CZ2 3.58Å; K89-W110 HydrophobicContact CG-CZ3 3.85Å; K89-W110 VanDerWaalsContact NZ-CD1 3.34Å; E106-W110 PolarHBondContact O-N 3.39Å; F107-W110 HydrophobicContact CD2-CE3 4.42Å; F107-W110 HydrophobicContact CE2-CE3 4.05Å; F107-W110 HydrophobicContact CE2-CZ3 4.13Å; F107-W110 HydrophobicContact CZ-CE3 4.35Å; F107-W110 HydrophobicContact CZ-CZ3 4.14Å; F107-W110 PolarHBondContact O-N 2.86Å; V108-W110 PolarHBondContact O-N 2.81Å; W110-K112 VanDerWaalsContact C-N 3.31Å; W110-K112 PolarHBondContact O-N 3.49Å; W110-K113 PolarHBondContact O-N 2.97Å; W110-F114 HydrophobicContact CH2-CB 3.96Å; W110-F114 HydrophobicContact CH2-CD1 4.34Å; W110-F114 HydrophobicContact CH2-CD2 4.09Å; W110-F114 AromaticContact CH2-CG 3.86Å; W110-F114 HydrophobicContact CH2-CG 3.86Å; W110-F114 HydrophobicContact CZ2-CB 3.92Å; W110-F114 HydrophobicContact CZ2-CD2 4.02Å; W110-F114 HydrophobicContact CZ2-CG 4.05Å; W110-F114 HydrophobicContact CZ3-CB 4.37Å; W110-F114 PolarHBondContact O-N 3.04Å
111F98.1Very high96.6Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-64.3-34.7-178.6-168.3-82.9000112.2W23 Y44 F47 M48 F82 F107 V108 F114 F115W23-F111 HydrophobicContact CH2-CD1 4.29Å; Y44-F111 HydrophobicContact CD1-CB 4.36Å; Y44-F111 AromaticContact CD1-CD1 3.84Å; Y44-F111 HydrophobicContact CD1-CD1 3.84Å; Y44-F111 AromaticContact CD1-CD2 3.6Å; Y44-F111 HydrophobicContact CD1-CD2 3.6Å; Y44-F111 HydrophobicContact CD1-CE1 4.02Å; Y44-F111 AromaticContact CD1-CE2 3.79Å; Y44-F111 HydrophobicContact CD1-CE2 3.79Å; Y44-F111 AromaticContact CD1-CG 3.64Å; Y44-F111 HydrophobicContact CD1-CG 3.64Å; Y44-F111 HydrophobicContact CD1-CZ 4Å; Y44-F111 HydrophobicContact CE1-CB 4Å; Y44-F111 HydrophobicContact CE1-CD1 4.1Å; Y44-F111 HydrophobicContact CE1-CD2 4.09Å; Y44-F111 AromaticContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CG-CD2 4.48Å; Y44-F111 HydrophobicContact CG-CE2 4.41Å; F47-F111 HydrophobicContact CB-CE1 3.48Å; F47-F111 VanDerWaalsContact CB-CE1 3.48Å; F47-F111 HydrophobicContact CB-CZ 3.59Å; F47-F111 AromaticContact CD2-CE1 3.92Å; F47-F111 HydrophobicContact CD2-CE1 3.92Å; F47-F111 AromaticContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CZ 4.4Å; M48-F111 HydrophobicContact CG-CE2 4.46Å; M48-F111 HydrophobicContact CG-CZ 4.41Å; F82-F111 HydrophobicContact CE1-CE2 4.23Å; F82-F111 HydrophobicContact CZ-CD2 4.34Å; F82-F111 HydrophobicContact CZ-CE2 4.2Å; F107-F111 HydrophobicContact CE1-CD2 4.26Å; F107-F111 WeakPolarHBondContact O-CB 3.38Å; F107-F111 PolarHBondContact O-N 3.23Å; V108-F111 PolarHBondContact O-N 3.41Å; V108-F111 VanDerWaalsContact O-N 3.17Å; F111-F114 WeakPolarHBondContact O-CB 3.44Å; F111-F114 PolarHBondContact O-N 3Å; F111-F115 WeakPolarHBondContact O-CB 3.47Å; F111-F115 PolarHBondContact O-N 2.97Å
112K97Very high96.6Very high32 Ų3246.1 Ų46.114%0.13924%0.238CC..Hα-helixtrans-63.5-48.8172.7179.759.1161.775.60111.6L15 M20 W23 V108 W110 F114 F115 D116L15-K112 HydrophobicContact CD1-CD 4.34Å; L15-K112 HydrophobicContact CD1-CG 3.9Å; M20-K112 HydrophobicContact CE-CB 4.11Å; M20-K112 HydrophobicContact SD-CB 4.22Å; W23-K112 HydrophobicContact CD2-CD 3.58Å; W23-K112 VanDerWaalsContact CE2-CD 3.47Å; W23-K112 HydrophobicContact CE3-CD 3.76Å; W23-K112 HydrophobicContact CG-CD 4.27Å; W23-K112 HydrophobicContact CH2-CB 4.36Å; W23-K112 HydrophobicContact CH2-CD 3.76Å; W23-K112 HydrophobicContact CZ2-CD 3.58Å; W23-K112 HydrophobicContact CZ3-CB 4.16Å; W23-K112 HydrophobicContact CZ3-CD 3.84Å; V108-K112 PolarHBondContact O-N 3.46Å; W110-K112 VanDerWaalsContact C-N 3.31Å; W110-K112 PolarHBondContact O-N 3.49Å; K112-F114 PolarHBondContact O-N 2.95Å; K112-F115 WeakPolarHBondContact O-CB 3.44Å; K112-F115 PolarHBondContact O-N 3.21Å; K112-F115 VanDerWaalsContact O-N 3.08Å; K112-D116 IonicContact NZ-OD1 3.68Å; K112-D116 PolarHBondContact NZ-OD1 3.43Å; K112-D116 IonicContact NZ-OD2 2.69Å; K112-D116 PolarHBondContact NZ-OD2 3.09Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 3.4Å
113K95Very high96.6Very high77 Ų7749.1 Ų49.134%0.33525%0.252SS..Hα-helixtrans-59.2-37.3175.2-66.9-175.5177.7-171.10111.5V5 C12 Q109 W110 A117V5-K113 HydrophobicContact CG2-CB 4.16Å; C12-K113 PolarHBondContact O-NZ 3.18Å; C12-K113 VanDerWaalsContact O-NZ 3.14Å; Q109-K113 PolarHBondContact O-N 3.16Å; W110-K113 PolarHBondContact O-N 2.97Å; K113-A117 WeakPolarHBondContact O-CB 3.26Å; K113-A117 PolarHBondContact O-N 2.91Å
114F97.1Very high96.7Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-66.9-42.7174.2173.2-99.4000112.1A2 V3 V5 M48 L51 F52 V87 W110 F111 K112 A117 N118A2-F114 HydrophobicContact CB-CE2 3.83Å; A2-F114 HydrophobicContact CB-CZ 3.82Å; V3-F114 WeakPolarHBondContact O-CE2 3.49Å; V5-F114 HydrophobicContact CG2-CB 3.83Å; M48-F114 HydrophobicContact SD-CE1 3.75Å; M48-F114 HydrophobicContact SD-CZ 4.3Å; L51-F114 HydrophobicContact CD1-CD1 4.13Å; L51-F114 HydrophobicContact CD1-CE1 3.7Å; F52-F114 HydrophobicContact CE2-CE1 4.33Å; F52-F114 AromaticContact CE2-CZ 4Å; F52-F114 HydrophobicContact CE2-CZ 4Å; F52-F114 HydrophobicContact CZ-CZ 4.42Å; V87-F114 HydrophobicContact CG1-CE2 4.1Å; V87-F114 HydrophobicContact CG1-CZ 4.4Å; V87-F114 HydrophobicContact CG2-CE2 3.75Å; V87-F114 HydrophobicContact CG2-CZ 3.55Å; W110-F114 HydrophobicContact CH2-CB 3.96Å; W110-F114 HydrophobicContact CH2-CD1 4.34Å; W110-F114 HydrophobicContact CH2-CD2 4.09Å; W110-F114 AromaticContact CH2-CG 3.86Å; W110-F114 HydrophobicContact CH2-CG 3.86Å; W110-F114 HydrophobicContact CZ2-CB 3.92Å; W110-F114 HydrophobicContact CZ2-CD2 4.02Å; W110-F114 HydrophobicContact CZ2-CG 4.05Å; W110-F114 HydrophobicContact CZ3-CB 4.37Å; W110-F114 PolarHBondContact O-N 3.04Å; F111-F114 WeakPolarHBondContact O-CB 3.44Å; F111-F114 PolarHBondContact O-N 3Å; K112-F114 PolarHBondContact O-N 2.95Å; F114-A117 PolarHBondContact O-N 2.86Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.39Å; F114-N118 PolarHBondContact O-N 3.09Å; F114-N118 PolarHBondContact O-ND2 3.02Å
115F97.7Very high96.6Very high8 Ų854.1 Ų54.14%0.03528%0.276CS..Hα-helixtrans-60.6-50.7176.1-178.2-88000111.1W23 F47 M50 L51 F111 K112 A117 N118 Y119W23-F115 HydrophobicContact CZ2-CB 4.2Å; W23-F115 AromaticContact CZ2-CD1 3.9Å; W23-F115 HydrophobicContact CZ2-CD1 3.9Å; W23-F115 HydrophobicContact CZ2-CD2 4.29Å; W23-F115 HydrophobicContact CZ2-CE1 4.38Å; W23-F115 AromaticContact CZ2-CG 3.85Å; W23-F115 HydrophobicContact CZ2-CG 3.85Å; F47-F115 AromaticContact CD1-CD2 3.78Å; F47-F115 HydrophobicContact CD1-CD2 3.78Å; F47-F115 AromaticContact CD1-CE2 3.59Å; F47-F115 HydrophobicContact CD1-CE2 3.59Å; F47-F115 HydrophobicContact CD1-CZ 4.4Å; F47-F115 HydrophobicContact CE1-CD2 4.41Å; F47-F115 HydrophobicContact CE1-CE2 4.14Å; F47-F115 HydrophobicContact CG-CD2 4.45Å; M50-F115 HydrophobicContact CG-CE2 4.42Å; M50-F115 HydrophobicContact SD-CE2 3.51Å; M50-F115 VanDerWaalsContact SD-CE2 3.51Å; M50-F115 HydrophobicContact SD-CZ 3.58Å; M50-F115 VanDerWaalsContact SD-CZ 3.58Å; L51-F115 HydrophobicContact CD1-CD2 3.87Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.71Å; L51-F115 HydrophobicContact CD2-CG 4.19Å; L51-F115 HydrophobicContact CD2-CZ 4.45Å; L51-F115 HydrophobicContact CG-CD2 3.69Å; L51-F115 HydrophobicContact CG-CE2 3.9Å; F111-F115 WeakPolarHBondContact O-CB 3.47Å; F111-F115 PolarHBondContact O-N 2.97Å; K112-F115 WeakPolarHBondContact O-CB 3.44Å; K112-F115 PolarHBondContact O-N 3.21Å; K112-F115 VanDerWaalsContact O-N 3.08Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.08Å; F115-N118 CarbonylContact O-C 3.53Å; F115-N118 PolarHBondContact O-N 3.19Å; F115-Y119 AromaticContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD2 4.05Å; F115-Y119 HydrophobicContact CE1-CE1 4.49Å; F115-Y119 AromaticContact CE1-CG 3.65Å; F115-Y119 HydrophobicContact CE1-CG 3.65Å; F115-Y119 HydrophobicContact CE2-CD2 4.03Å; F115-Y119 HydrophobicContact CE2-CG 4.39Å; F115-Y119 HydrophobicContact CZ-CD1 4.08Å; F115-Y119 AromaticContact CZ-CD2 3.45Å; F115-Y119 HydrophobicContact CZ-CD2 3.45Å; F115-Y119 VanDerWaalsContact CZ-CD2 3.45Å; F115-Y119 HydrophobicContact CZ-CE1 4.41Å; F115-Y119 AromaticContact CZ-CE2 3.84Å; F115-Y119 HydrophobicContact CZ-CE2 3.84Å; F115-Y119 AromaticContact CZ-CG 3.57Å; F115-Y119 HydrophobicContact CZ-CG 3.57Å; F115-Y119 WeakPolarHBondContact O-CB 3.28Å; F115-Y119 PolarHBondContact O-N 2.72Å
116D96.2Very high96.5Very high86 Ų8652.7 Ų52.746%0.4627%0.27SS..Hα-helixtrans-61.5-34-178.7-63.1-25.6000112.7K112 N118K112-D116 IonicContact NZ-OD1 3.68Å; K112-D116 PolarHBondContact NZ-OD1 3.43Å; K112-D116 IonicContact NZ-OD2 2.69Å; K112-D116 PolarHBondContact NZ-OD2 3.09Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 3.4Å; D116-N118 VanDerWaalsContact C-N 3.27Å; D116-N118 PolarHBondContact O-N 3.45Å
117A96.1Very high96.4Very high44 Ų4450.3 Ų50.336%0.36426%0.261SS..THydrogen-bonded Turntrans-75.6-9.5176.400000114.6V3 V5 K113 F114 F115V3-A117 HydrophobicContact CG1-CB 4.41Å; V5-A117 HydrophobicContact CG1-CB 3.56Å; K113-A117 WeakPolarHBondContact O-CB 3.26Å; K113-A117 PolarHBondContact O-N 2.91Å; F114-A117 PolarHBondContact O-N 2.86Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.08Å
118N97.5Very high96.3Very high22 Ų2257.3 Ų57.312%0.11829%0.293CS..THydrogen-bonded Turntrans-127.9-13.9-173.3-74.3-86.2000114.6A2 V3 L51 F52 F114 F115 D116A2-N118 WeakPolarHBondContact CA-OD1 3.34Å; V3-N118 PolarHBondContact N-OD1 2.92Å; V3-N118 PolarHBondContact O-ND2 3.41Å; L51-N118 HydrophobicContact CD1-CB 4.48Å; L51-N118 HydrophobicContact CD2-CB 3.93Å; F52-N118 HydrophobicContact CE1-CB 4.38Å; F52-N118 HydrophobicContact CZ-CB 3.78Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.35Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.39Å; F114-N118 PolarHBondContact O-N 3.09Å; F114-N118 PolarHBondContact O-ND2 3.02Å; F115-N118 CarbonylContact O-C 3.53Å; F115-N118 PolarHBondContact O-N 3.19Å; D116-N118 VanDerWaalsContact C-N 3.27Å; D116-N118 PolarHBondContact O-N 3.45Å
119Y97.6Very high96.1Very high87 Ų8758.4 Ų58.434%0.34130%0.303SS..  trans-78.6125.4179.5-170.3-118.7000110.5M50 L51 F115 K122M50-Y119 HydrophobicContact CG-CE2 4Å; M50-Y119 HydrophobicContact SD-CE2 4.02Å; L51-Y119 HydrophobicContact CD2-CD2 4.2Å; F115-Y119 AromaticContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD2 4.05Å; F115-Y119 HydrophobicContact CE1-CE1 4.49Å; F115-Y119 AromaticContact CE1-CG 3.65Å; F115-Y119 HydrophobicContact CE1-CG 3.65Å; F115-Y119 HydrophobicContact CE2-CD2 4.03Å; F115-Y119 HydrophobicContact CE2-CG 4.39Å; F115-Y119 HydrophobicContact CZ-CD1 4.08Å; F115-Y119 AromaticContact CZ-CD2 3.45Å; F115-Y119 HydrophobicContact CZ-CD2 3.45Å; F115-Y119 VanDerWaalsContact CZ-CD2 3.45Å; F115-Y119 HydrophobicContact CZ-CE1 4.41Å; F115-Y119 AromaticContact CZ-CE2 3.84Å; F115-Y119 HydrophobicContact CZ-CE2 3.84Å; F115-Y119 AromaticContact CZ-CG 3.57Å; F115-Y119 HydrophobicContact CZ-CG 3.57Å; F115-Y119 WeakPolarHBondContact O-CB 3.28Å; F115-Y119 PolarHBondContact O-N 2.72Å; Y119-K122 PolarHBondContact OH-O 2.9Å
120D95.7Very high96.1Very high110 Ų11056.1 Ų56.159%0.58829%0.292SS*.  trans-98.24.4-176.856.720.4000112.9K122D120-K122 WeakPolarHBondContact OD1-CB 3.29Å; D120-K122 WeakPolarHBondContact OD1-CE 3.49Å; D120-K122 PolarHBondContact OD1-N 2.71Å; D120-K122 IonicContact OD1-NZ 3.01Å; D120-K122 WeakPolarHBondContact OD2-CE 3.48Å; D120-K122 IonicContact OD2-NZ 3.53Å; D120-K122 PolarHBondContact OD2-NZ 3.14Å
121G95Very high95.9Very high55 Ų5561.7 Ų61.757%0.56732%0.319SS*.  trans84.38.1-17900000115.7
122K94.6Very high95.3Very high60 Ų6064.5 Ų64.526%0.26135%0.348SS..  trans-59142.2178.381.1-162.771176.60112.6M50 L51 P53 Y119 D120M50-K122 WeakPolarHBondContact O-CD 3.48Å; L51-K122 PolarHBondContact O-NZ 3.29Å; P53-K122 HydrophobicContact CG-CD 4.49Å; Y119-K122 PolarHBondContact OH-O 2.9Å; D120-K122 WeakPolarHBondContact OD1-CB 3.29Å; D120-K122 WeakPolarHBondContact OD1-CE 3.49Å; D120-K122 PolarHBondContact OD1-N 2.71Å; D120-K122 IonicContact OD1-NZ 3.01Å; D120-K122 WeakPolarHBondContact OD2-CE 3.48Å; D120-K122 IonicContact OD2-NZ 3.53Å; D120-K122 PolarHBondContact OD2-NZ 3.14Å
123E95.9Very high94.8Very high194 Ų19467.1 Ų67.191%0.90736%0.36SS*.  trans-64.7141.6169-64.2-177169.200110.9
124Y97.2Very high94.3Very high50 Ų5068.8 Ų68.820%0.19637%0.373CS..  trans-143.2127.2179-175.1-99.2000110L28 Q46 D49 M50 P126 A129L28-Y124 HydrophobicContact CD2-CE1 4.29Å; Q46-Y124 HydrophobicContact CG-CE1 4.11Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.16Å; D49-Y124 WeakPolarHBondContact OD2-CE2 3.46Å; D49-Y124 PolarHBondContact OD2-OH 3.03Å; M50-Y124 HydrophobicContact CB-CD1 4.03Å; M50-Y124 HydrophobicContact CB-CD2 3.88Å; M50-Y124 HydrophobicContact CB-CE1 4.04Å; M50-Y124 HydrophobicContact CB-CE2 3.92Å; M50-Y124 HydrophobicContact CB-CG 3.93Å; M50-Y124 HydrophobicContact CE-CD1 3.34Å; M50-Y124 HydrophobicContact CE-CE1 3.96Å; M50-Y124 HydrophobicContact CE-CG 3.91Å; M50-Y124 HydrophobicContact CG-CD1 4.03Å; M50-Y124 HydrophobicContact CG-CD2 4.05Å; M50-Y124 HydrophobicContact CG-CG 3.74Å; Y124-P126 HydrophobicContact CD1-CB 4.14Å; Y124-P126 HydrophobicContact CE1-CB 3.96Å; Y124-P126 VanDerWaalsContact O-CD 3.23Å; Y124-P126 WeakPolarHBondContact O-CD 3.36Å; Y124-A129 HydrophobicContact CE1-CB 4.19Å; Y124-A129 HydrophobicContact CE2-CB 4.35Å; Y124-A129 WeakPolarHBondContact OH-CB 3.04Å
125D96.3Very high93.7Very high80 Ų8069.3 Ų69.343%0.42838%0.376SS..  trans-95103.1171.5-178.4-17.4000109.7L127 Q128 A129D125-L127 VanDerWaalsContact C-N 3.28Å; D125-L127 PolarHBondContact O-N 3.21Å; D125-L127 WeakPolarHBondContact OD1-CA 3.44Å; D125-L127 WeakPolarHBondContact OD1-CB 3.5Å; D125-L127 PolarHBondContact OD1-N 3.28Å; D125-Q128 HydrophobicContact CB-CB 3.91Å; D125-Q128 VanDerWaalsContact CG-CB 3.44Å; D125-Q128 PolarHBondContact OD1-N 3.03Å; D125-Q128 WeakPolarHBondContact OD2-CB 3.43Å; D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 2.97Å; D125-A129 VanDerWaalsContact O-N 3.08Å
126P95.5Very high92.6Very high5 Ų569.1 Ų69.13%0.03238%0.375CS..Hα-helixtrans-72-21-178.731.2-36.7000113.2L28 H29 Q46 Y124 R130L28-P126 HydrophobicContact CB-CB 4.46Å; L28-P126 HydrophobicContact CD2-CB 4.05Å; L28-P126 WeakPolarHBondContact O-CB 3.4Å; H29-P126 HydrophobicContact CB-CG 4.16Å; Q46-P126 PolarHBondContact NE2-O 2.83Å; Y124-P126 HydrophobicContact CD1-CB 4.14Å; Y124-P126 HydrophobicContact CE1-CB 3.96Å; Y124-P126 VanDerWaalsContact O-CD 3.23Å; Y124-P126 WeakPolarHBondContact O-CD 3.36Å; P126-R130 WeakPolarHBondContact O-CG 3.44Å; P126-R130 PolarHBondContact O-N 3.13Å
127L94.2Very high91.1Very high70 Ų7068.9 Ų68.937%0.36638%0.379SS..Hα-helixtrans-80-43.3178.5-65.5170.9000110.4H29 D125 R130 Q131 G132H29-L127 HydrophobicContact CB-CD2 4.26Å; H29-L127 HydrophobicContact CB-CG 4.27Å; H29-L127 WeakPolarHBondContact ND1-CD1 3.31Å; D125-L127 VanDerWaalsContact C-N 3.28Å; D125-L127 PolarHBondContact O-N 3.21Å; D125-L127 WeakPolarHBondContact OD1-CA 3.44Å; D125-L127 WeakPolarHBondContact OD1-CB 3.5Å; D125-L127 PolarHBondContact OD1-N 3.28Å; L127-R130 CarbonylContact O-C 3.56Å; L127-R130 PolarHBondContact O-N 2.96Å; L127-Q131 PolarHBondContact O-N 3.24Å; L127-Q131 VanDerWaalsContact O-N 3.11Å; L127-G132 PolarHBondContact O-N 3.1Å
128Q94.8Very high89.2Confident150 Ų15067.8 Ų67.870%0.70137%0.369SS*.Hα-helixtrans-62-43.4172.6-173.6-175.867.900111.2D125 R130 Q131D125-Q128 HydrophobicContact CB-CB 3.91Å; D125-Q128 VanDerWaalsContact CG-CB 3.44Å; D125-Q128 PolarHBondContact OD1-N 3.03Å; D125-Q128 WeakPolarHBondContact OD2-CB 3.43Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.29Å; Q128-Q131 WeakPolarHBondContact O-CA 3.49Å; Q128-Q131 PolarHBondContact O-N 3.02Å
129A95.4Very high87.1Confident24 Ų2469.1 Ų69.120%0.19838%0.379CS..Hα-helixtrans-60.6-35.7176.900000113L58 Y124 D125 Q131L58-A129 HydrophobicContact CD1-CB 3.98Å; Y124-A129 HydrophobicContact CE1-CB 4.19Å; Y124-A129 HydrophobicContact CE2-CB 4.35Å; Y124-A129 WeakPolarHBondContact OH-CB 3.04Å; D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 2.97Å; D125-A129 VanDerWaalsContact O-N 3.08Å; A129-Q131 VanDerWaalsContact C-N 3.3Å
130R95Very high84.7Confident2 Ų270.6 Ų70.61%0.00839%0.393CS..THydrogen-bonded Turntrans-80.5-1.7172-70.2-165.2-60.9-97.37.2114.5L28 H29 F63 P126 L127 Q128 G132 Q133L28-R130 PolarHBondContact O-NH1 3.08Å; L28-R130 PolarHBondContact O-NH2 3.44Å; H29-R130 PolarHBondContact O-NH2 2.66Å; F63-R130 VanDerWaalsContact CD1-CD 3.49Å; F63-R130 HydrophobicContact CD1-CG 3.86Å; F63-R130 HydrophobicContact CD2-CG 4.33Å; F63-R130 HydrophobicContact CE1-CG 3.62Å; F63-R130 HydrophobicContact CE2-CG 4.11Å; F63-R130 HydrophobicContact CG-CG 4.21Å; F63-R130 HydrophobicContact CZ-CG 3.74Å; P126-R130 WeakPolarHBondContact O-CG 3.44Å; P126-R130 PolarHBondContact O-N 3.13Å; L127-R130 CarbonylContact O-C 3.56Å; L127-R130 PolarHBondContact O-N 2.96Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.29Å; R130-G132 PolarHBondContact O-N 3.14Å; R130-Q133 HydrophobicContact CB-CB 4.33Å; R130-Q133 VanDerWaalsContact CB-O 3.31Å; R130-Q133 WeakPolarHBondContact CB-O 3.46Å; R130-Q133 VanDerWaalsContact CD-O 3.23Å; R130-Q133 WeakPolarHBondContact CD-O 3.19Å; R130-Q133 PolarHBondContact NE-O 3.26Å; R130-Q133 WeakPolarHBondContact O-CB 3Å; R130-Q133 WeakPolarHBondContact O-CG 3.3Å; R130-Q133 PolarHBondContact O-N 3.22Å; R130-Q133 VanDerWaalsContact O-N 3.12Å
131Q92.1Very high82.3Confident139 Ų13970.8 Ų70.865%0.6540%0.401SS*.THydrogen-bonded Turntrans55.538.8-173.5-57.1169.417.200112.3L127 Q128 A129 Q133L127-Q131 PolarHBondContact O-N 3.24Å; L127-Q131 VanDerWaalsContact O-N 3.11Å; Q128-Q131 WeakPolarHBondContact O-CA 3.49Å; Q128-Q131 PolarHBondContact O-N 3.02Å; A129-Q131 VanDerWaalsContact C-N 3.3Å; Q131-Q133 VanDerWaalsContact C-N 3.27Å; Q131-Q133 PolarHBondContact O-N 2.95Å
132G85Confident80.1Confident59 Ų5971.1 Ų71.161%0.60840%0.404SS*.THydrogen-bonded Turntrans74.47.8-177.700000115.2L127 R130L127-G132 PolarHBondContact O-N 3.1Å; R130-G132 PolarHBondContact O-N 3.14Å
133Q86.5Confident77.7Confident87 Ų8774.2 Ų74.241%0.40742%0.423SS..PPolyproline II helixtrans-75.2132171.2-64.5177.14800110.7R130 Q131R130-Q133 HydrophobicContact CB-CB 4.33Å; R130-Q133 VanDerWaalsContact CB-O 3.31Å; R130-Q133 WeakPolarHBondContact CB-O 3.46Å; R130-Q133 VanDerWaalsContact CD-O 3.23Å; R130-Q133 WeakPolarHBondContact CD-O 3.19Å; R130-Q133 PolarHBondContact NE-O 3.26Å; R130-Q133 WeakPolarHBondContact O-CB 3Å; R130-Q133 WeakPolarHBondContact O-CG 3.3Å; R130-Q133 PolarHBondContact O-N 3.22Å; R130-Q133 VanDerWaalsContact O-N 3.12Å; Q131-Q133 VanDerWaalsContact C-N 3.27Å; Q131-Q133 PolarHBondContact O-N 2.95Å
134D84.1Confident75.2Confident112 Ų11272.8 Ų72.860%0.59942%0.416SS*.PPolyproline II helixtrans-66.2163.5161.4-66.3-49.9000110.8Q64Q64-D134 PolarHBondContact NE2-O 3.47Å
135M85.4Confident72.9Confident12 Ų1276.6 Ų76.66%0.05943%0.434CS..PPolyproline II helixtrans-93.3137.1165.2-151.2172.5-71.900109L30 Y32 A42 A43 F63L30-M135 HydrophobicContact CD1-CE 4.33Å; L30-M135 HydrophobicContact CD1-SD 4.2Å; L30-M135 HydrophobicContact CD2-CB 3.71Å; L30-M135 HydrophobicContact CD2-CE 3.72Å; L30-M135 HydrophobicContact CD2-CG 4.45Å; L30-M135 HydrophobicContact CD2-SD 3.96Å; Y32-M135 PolarHBondContact OH-SD 3.24Å; A42-M135 HydrophobicContact CB-CE 4.09Å; A42-M135 HydrophobicContact CB-CG 4.07Å; A42-M135 HydrophobicContact CB-SD 3.77Å; A43-M135 HydrophobicContact CB-CE 4.19Å; A43-M135 HydrophobicContact CB-SD 3.95Å; F63-M135 HydrophobicContact CD1-CE 3.77Å; F63-M135 HydrophobicContact CD1-CG 4.46Å; F63-M135 HydrophobicContact CE1-CE 4.05Å; F63-M135 WeakPolarHBondContact O-CA 3.45Å; F63-M135 WeakPolarHBondContact O-CG 3.44Å
136A74.8Confident70.2Confident3 Ų377.7 Ų77.73%0.02545%0.448CS..PPolyproline II helixtrans-64.2134.2-179.100000110.7F63 K66 A138F63-A136 PolarHBondContact O-N 3.22Å; K66-A136 HydrophobicContact CG-CB 4.35Å; A136-A138 PolarHBondContact O-N 2.94Å
137P64.3Low67.9Low82 Ų8285.9 Ų85.953%0.53249%0.486SS..PPolyproline II helixtrans-63.6128.8160.328.1-32.2000107.7
138A55.9Low65.3Low20 Ų2093.3 Ų93.317%0.16551%0.509CS..PPolyproline II helixtrans-63.7155-17800000112Q37 A136Q37-A138 HydrophobicContact CB-CB 4.01Å; Q37-A138 HydrophobicContact CG-CB 3.79Å; A136-A138 PolarHBondContact O-N 2.94Å
139P53.1Low62.8Low50 Ų5092 Ų9233%0.32551%0.513SS..PPolyproline II helixtrans-58.7142.5178.8-20.732.3000111.8K66 F145K66-P139 WeakPolarHBondContact O-CG 3.17Å; P139-F145 HydrophobicContact CB-CE2 4.34Å; P139-F145 HydrophobicContact CB-CZ 4.38Å; P139-F145 HydrophobicContact CG-CE2 4.39Å; P139-F145 HydrophobicContact CG-CZ 4.17Å
140N47.5Very low60.1Low118 Ų118100.7 Ų100.763%0.63155%0.546SS*.PPolyproline II helixtrans-66.3133173-81.1-35.3000110.4G142 D143N140-G142 PolarHBondContact O-N 3.24Å; N140-D143 PolarHBondContact O-N 3.37Å; N140-D143 VanDerWaalsContact O-N 3.13Å
141P45.3Very low57.4Low115 Ų115111.3 Ų111.375%0.74759%0.587SS**THydrogen-bonded Turntrans-66103.2167.928-32.1000108.4
142G48.6Very low54.8Low62 Ų62111.3 Ų111.364%0.63960%0.596SS**THydrogen-bonded Turntrans146.1-27.8-170.600000112.5N140 H144N140-G142 PolarHBondContact O-N 3.24Å; G142-H144 VanDerWaalsContact C-N 3.27Å; G142-H144 PolarHBondContact O-N 3.26Å
143D44.9Very low52.7Low125 Ų125117.5 Ų117.567%0.66861%0.609SS**  trans-80.677.8171.2-146.3-1.8000109.3N140 F145N140-D143 PolarHBondContact O-N 3.37Å; N140-D143 VanDerWaalsContact O-N 3.13Å; D143-F145 PolarHBondContact O-N 3.3Å; D143-F145 VanDerWaalsContact O-N 3.08Å
144H43.6Very low50.9Low164 Ų164116.3 Ų116.376%0.75962%0.62SS**  trans-58.9115.6174.7-76.4-79.8000109.3G142 S146G142-H144 VanDerWaalsContact C-N 3.27Å; G142-H144 PolarHBondContact O-N 3.26Å; H144-S146 PolarHBondContact O-N 3.41Å; H144-S146 PolarHBondContact O-OG 3.42Å
145F48.7Very low49.3Very low130 Ų130117 Ų11757%0.5763%0.631SS**  trans-63.267.1174.4-74.9-86000112.5L67 P139 D143 H147L67-F145 HydrophobicContact CD2-CD1 4.09Å; L67-F145 HydrophobicContact CD2-CE1 3.53Å; L67-F145 HydrophobicContact CD2-CZ 3.85Å; P139-F145 HydrophobicContact CB-CE2 4.34Å; P139-F145 HydrophobicContact CB-CZ 4.38Å; P139-F145 HydrophobicContact CG-CE2 4.39Å; P139-F145 HydrophobicContact CG-CZ 4.17Å; D143-F145 PolarHBondContact O-N 3.3Å; D143-F145 VanDerWaalsContact O-N 3.08Å; F145-H147 PolarHBondContact O-N 2.8Å
146S40.1Very low47.4Very low103 Ų103122.8 Ų122.872%0.7267%0.669SS**  trans-72.59717350.70000108.7H144 R148H144-S146 PolarHBondContact O-N 3.41Å; H144-S146 PolarHBondContact O-OG 3.42Å; S146-R148 VanDerWaalsContact C-N 3.31Å; S146-R148 PolarHBondContact O-N 3.24Å
147H47.6Very low45.9Very low177 Ų177126 Ų12682%0.81970%0.703SS**  trans-61.691.2171.5-8826.8000110.5F145F145-H147 PolarHBondContact O-N 2.8Å
148R39.3Very low45.3Very low226 Ų226128.2 Ų128.285%0.85372%0.717SS**  trans-119.4120.6157-85.3-169.9169.3-138.7-1.4109.4S146 K150S146-R148 VanDerWaalsContact C-N 3.31Å; S146-R148 PolarHBondContact O-N 3.24Å; R148-K150 PolarHBondContact O-N 3.23Å
149P41.8Very low44.4Very low122 Ų122137 Ų13779%0.79276%0.755SS**  trans-64.1120171.126.2-32000109.1R151P149-R151 PolarHBondContact O-N 3.24Å
150K37.5Very low43.6Very low206 Ų206145.4 Ų145.490%0.89678%0.78SS**  trans-59.2107172.7-98179.3173.6173.90109.1R148 T152R148-K150 PolarHBondContact O-N 3.23Å; K150-T152 PolarHBondContact O-N 2.55Å
151R39.3Very low43Very low226 Ų226147.5 Ų147.585%0.85379%0.788SS**  trans-75.2121.2162.3-75.3-171.7172.5-167-2.5108.2P149 H153P149-R151 PolarHBondContact O-N 3.24Å; R151-H153 PolarHBondContact O-N 2.81Å
152T37.2Very low42.7Very low138 Ų138146.7 Ų146.785%0.84779%0.785SS**  trans-69118.5173.846.10000110.1K150 G154K150-T152 PolarHBondContact O-N 2.55Å; T152-G154 PolarHBondContact O-N 2.9Å
153H40.2Very low43.1Very low190 Ų190149.4 Ų149.488%0.8879%0.791SS**  trans-82.3105.9172.7-72.3-68.5000110.4R151R151-H153 PolarHBondContact O-N 2.81Å
154G49.2Very low42.6Very low62 Ų62149.8 Ų149.864%0.63980%0.798SS**PPolyproline II helixtrans-90.2153.3160.200000110.9T152T152-G154 PolarHBondContact O-N 2.9Å
155P51.4Low42.3Very low127 Ų127148 Ų14883%0.82580%0.799SS**PPolyproline II helixtrans-76151.9-176.531-34.8000112.8
156P44.8Very low42.4Very low132 Ų132147.3 Ų147.386%0.85781%0.807SS**PPolyproline II helixtrans-83.9127.9-174.332.2-33.8000113.3
157G42.6Very low42.2Very low72 Ų72151.5 Ų151.574%0.74281%0.812SS**PPolyproline II helixtrans-97146.9163.800000111.5
158P52.1Low41.5Very low128 Ų128150.3 Ų150.383%0.83181%0.811SS**PPolyproline II helixtrans-95134.9-173.834.8-32.4000113.1
159Q38.1Very low41.5Very low205 Ų205147.4 Ų147.496%0.95881%0.809SS**  trans-137.1141.5164.1-75.2-155.1-35.900115.2
160R35.5Very low41.7Very low226 Ų226147.6 Ų147.685%0.85381%0.81SS**  trans-60.7149.5-172.3-85.5166.5157.4168.8-7.5117.6
161M34.5Very low41.7Very low162 Ų162141.5 Ų141.580%0.79880%0.798SS**  28143.7122.3-61.8163.554.800119.8
162S39.1Very low42.3Very low97 Ų97136.3 Ų136.368%0.67879%0.793SS**  cis-165.6-144.8-4.1-81.20000108.4
163P56.4Low42.1Very low119 Ų119138.3 Ų138.377%0.77379%0.793SS**  -118.7-162.7-97.441.4-25.5000114.6
164T35.9Very low42Very low133 Ų133139.4 Ų139.482%0.81679%0.789SS**  trans116.9133.1170.1-58.40000112.5
165V37Very low41.3Very low128 Ų128143.1 Ų143.178%0.77680%0.8SS**  cis-154.5160.5-11.2115.50000109.5
166P50.8Low40.7Very low115 Ų115143 Ų14375%0.74779%0.791SS**  trans-102.5155-171.938.1-33.1000115.9
167K35.9Very low40.3Very low191 Ų191144.8 Ų144.883%0.8379%0.794SS**  trans-158109.4160.7-138165.8-175.5177.50117.1
168I33.7Very low39.9Very low152 Ų152147.1 Ų147.178%0.77979%0.793SS**  trans60.3118.7132.4-57.5177.1000120.9
169M38.2Very low39Very low165 Ų165147.6 Ų147.681%0.81379%0.794SS**  trans-77.3159.5160.4-76.4-175.673.600112
170P47.1Very low39Very low126 Ų126143.6 Ų143.682%0.81878%0.784SS**  -148.2167.579.636.3-15.2000117.4
171A37.5Very low39.1Very low77 Ų77141.5 Ų141.564%0.63678%0.783SS**  trans-87.1173.2168.200000111.7
172P50Low39.4Very low117 Ų117140 Ų14076%0.7678%0.782SS**  -150.3156.5100.337.5-20.1000118.5
173Q34.9Very low39.1Very low180 Ų180147 Ų14784%0.84179%0.794SS**  trans48.2101.4142.7-65.1-177.7-57.900123.6
174R36.9Very low38.4Very low213 Ų213150.4 Ų150.480%0.80480%0.797SS**  15.8120.2116.6-170.6-178.3-171.3178.52.6118.8
175V35.5Very low38.5Very low141 Ų141150.1 Ų150.186%0.85580%0.795SS**  trans-123.3145.6145-80.30000109.9
176L38.4Very low38.6Very low123 Ų123149.5 Ų149.564%0.64479%0.794SS**  trans-82.9152.2176.8-68.681.5000109.9
177N35.6Very low37.9Very low171 Ų171148.6 Ų148.691%0.91480%0.796SS**  trans-152.4136.9140.2-107.9-16.7000112.1
178T34.4Very low38.1Very low120 Ų120146.4 Ų146.474%0.73679%0.793SS**  trans-88128.7-176.2-59.90000110.4
179T33.2Very low38.8Very low138 Ų138144.3 Ų144.385%0.84780%0.798SS**  trans-143.5137.1148.436.60000110.3
180V38.1Very low39Very low122 Ų122145.8 Ų145.874%0.73979%0.794SS**  trans-82.9125.9179.8175.30000108.8
181H38.8Very low38.8Very low181 Ų181145.7 Ų145.784%0.83879%0.787SS**  trans-137.7131162-105.948.9000111.2R183H181-R183 PolarHBondContact O-N 3.28Å
182V39.7Very low39.2Very low130 Ų130146.6 Ų146.679%0.78880%0.804SS**  trans-69.1113.2-170.9177.10000110.5K184V182-K184 PolarHBondContact O-N 3.01Å
183R32.8Very low39.1Very low245 Ų245143.1 Ų143.193%0.92579%0.79SS**  trans-81.5103.6165.9-77.7-174.7174.1178.7-1.6109.5H181H181-R183 PolarHBondContact O-N 3.28Å
184K41.4Very low40.3Very low190 Ų190138.4 Ų138.483%0.82678%0.776SS**  trans-60.6150.4160.7-74.1-176.2175.1-178.80109.6V182V182-K184 PolarHBondContact O-N 3.01Å
185T39.1Very low41.5Very low127 Ų127134.2 Ų134.278%0.77977%0.77SS**  trans-56.1144.5178.340.80000112.2A187T185-A187 PolarHBondContact O-N 3.15Å
186P38.6Very low43.1Very low116 Ų116129.9 Ų129.975%0.75375%0.754SS**  trans-73.6115.7165.930.5-30.3000108.5L188P186-L188 PolarHBondContact O-N 2.96Å
187A36.8Very low44.7Very low96 Ų96130.9 Ų130.979%0.79376%0.755SS**  trans-63.8131.7168.700000109.3T185 A189T185-A187 PolarHBondContact O-N 3.15Å; A187-A189 PolarHBondContact O-N 3.39Å; A187-A189 VanDerWaalsContact O-N 3.07Å
188L40.2Very low46.4Very low144 Ų144128 Ų12875%0.75474%0.74SS**  trans-66.7107.3171.4-88.676.6000109P186 R190P186-L188 PolarHBondContact O-N 2.96Å; L188-R190 VanDerWaalsContact C-N 3.35Å; L188-R190 PolarHBondContact O-N 2.94Å
189A47.1Very low48.3Very low108 Ų108128.9 Ų128.989%0.89374%0.737SS**  trans-73.790.2163.600000109.6A187A187-A189 PolarHBondContact O-N 3.39Å; A187-A189 VanDerWaalsContact O-N 3.07Å
190R44Very low50.5Low196 Ų196128.3 Ų128.374%0.7473%0.725SS**  trans-132.9135.5163.6-70.6178.264.6-177.5-2.7105.9L188L188-R190 VanDerWaalsContact C-N 3.35Å; L188-R190 PolarHBondContact O-N 2.94Å
191N41.8Very low52.5Low124 Ų124127 Ų12766%0.66371%0.713SS**  cis-142.6131.81.4-111.126.7000107.6G193N191-G193 PolarHBondContact O-N 3.44Å
192G46.5Very low54.5Low96 Ų96123.5 Ų123.599%0.9970%0.7SS**THydrogen-bonded Turntrans-78.345.4174.200000113.8
193G48.2Very low56.3Low45 Ų45122.7 Ų122.746%0.46469%0.688SS.*THydrogen-bonded Turntrans-107.7-20.9-179.800000114.2N191 D195N191-G193 PolarHBondContact O-N 3.44Å; G193-D195 PolarHBondContact O-N 2.9Å
194S59.5Low58.8Low80 Ų80116.1 Ų116.156%0.55967%0.668SS**Hα-helixtrans-71.8-24.4-171550000114.7L198S194-L198 WeakPolarHBondContact O-CB 3.47Å; S194-L198 PolarHBondContact O-N 3.45Å
195D62.2Low60.9Low126 Ų126111.2 Ų111.267%0.67465%0.65SS**Hα-helixtrans-71.4-38.9-171.9-161.164.5000112.7G193 M199G193-D195 PolarHBondContact O-N 2.9Å; D195-M199 WeakPolarHBondContact O-CB 3.37Å; D195-M199 PolarHBondContact O-N 3.24Å
196G70.1Confident63.3Low50 Ų50109.9 Ų109.952%0.51564%0.636SS.*Hα-helixtrans-71-40.8174.800000112.7M199 E200G196-M199 PolarHBondContact O-N 2.98Å; G196-E200 PolarHBondContact O-N 3.4Å
197E71.4Confident65.7Low144 Ų144110.3 Ų110.367%0.67363%0.628SS**Hα-helixtrans-68.4-37.9177.2-163.1169.5-150.100111.2E200 L201E197-E200 PolarHBondContact O-N 2.93Å; E197-L201 VanDerWaalsContact O-CB 3.25Å; E197-L201 WeakPolarHBondContact O-CB 3.43Å; E197-L201 PolarHBondContact O-N 2.62Å
198L71.9Confident68.4Low111 Ų111110.8 Ų110.858%0.58162%0.617SS**Hα-helixtrans-63.2-39.9170.1-174.377.4000111.6S194 N202S194-L198 WeakPolarHBondContact O-CB 3.47Å; S194-L198 PolarHBondContact O-N 3.45Å; L198-N202 WeakPolarHBondContact O-CB 3.26Å; L198-N202 PolarHBondContact O-N 3.22Å
199M73.3Confident70.9Confident137 Ų137111.2 Ų111.268%0.67561%0.612SS**Hα-helixtrans-68.2-40.6177.1-179.1172.8168.700112.1D195 G196 Q203D195-M199 WeakPolarHBondContact O-CB 3.37Å; D195-M199 PolarHBondContact O-N 3.24Å; G196-M199 PolarHBondContact O-N 2.98Å; M199-Q203 WeakPolarHBondContact O-CB 3.31Å; M199-Q203 PolarHBondContact O-N 3.41Å
200E78.7Confident72.8Confident127 Ų127111.3 Ų111.359%0.59360%0.597SS**Hα-helixtrans-67.2-44174.8-174.8168.4-167.400111.7G196 E197 N202 Q203 Q204G196-E200 PolarHBondContact O-N 3.4Å; E197-E200 PolarHBondContact O-N 2.93Å; E200-N202 VanDerWaalsContact C-N 3.33Å; E200-N202 PolarHBondContact O-N 2.77Å; E200-Q203 WeakPolarHBondContact O-CB 3.4Å; E200-Q203 PolarHBondContact O-N 3.03Å; E200-Q203 VanDerWaalsContact O-N 3.15Å; E200-Q204 WeakPolarHBondContact O-CG 3.49Å; E200-Q204 PolarHBondContact O-N 3.06Å
201L79.8Confident75.1Confident95 Ų95105.5 Ų105.550%0.49758%0.584SS.*Hα-helixtrans-63.6-38.7175.3-171.865.3000111.9E197 Q203 Q204 L205E197-L201 VanDerWaalsContact O-CB 3.25Å; E197-L201 WeakPolarHBondContact O-CB 3.43Å; E197-L201 PolarHBondContact O-N 2.62Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-Q204 PolarHBondContact O-N 2.93Å; L201-L205 WeakPolarHBondContact O-CB 3.3Å; L201-L205 WeakPolarHBondContact O-CG 3.34Å; L201-L205 PolarHBondContact O-N 3.47Å
202N81.6Confident77.7Confident106 Ų106102.6 Ų102.657%0.56757%0.57SS**Hα-helixtrans-69.5-30.6174.8-169.465.9000112.4L198 E200 M206L198-N202 WeakPolarHBondContact O-CB 3.26Å; L198-N202 PolarHBondContact O-N 3.22Å; E200-N202 VanDerWaalsContact C-N 3.33Å; E200-N202 PolarHBondContact O-N 2.77Å; N202-M206 WeakPolarHBondContact O-CB 3.27Å; N202-M206 PolarHBondContact O-N 2.9Å
203Q78.5Confident79.9Confident114 Ų114101.4 Ų101.453%0.53354%0.541SS..Hα-helixtrans-67-44.6171.7178.962.588.900111.4M199 E200 L201 M206 E207M199-Q203 WeakPolarHBondContact O-CB 3.31Å; M199-Q203 PolarHBondContact O-N 3.41Å; E200-Q203 WeakPolarHBondContact O-CB 3.4Å; E200-Q203 PolarHBondContact O-N 3.03Å; E200-Q203 VanDerWaalsContact O-N 3.15Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; Q203-M206 PolarHBondContact O-N 3.17Å; Q203-E207 PolarHBondContact O-N 3.33Å
204Q84.1Confident82Confident107 Ų107100.7 Ų100.750%0.553%0.534SS..Hα-helixtrans-63.7-41.3174.7-69.9175.93.100111.6E200 L201 M206 E207 L208E200-Q204 WeakPolarHBondContact O-CG 3.49Å; E200-Q204 PolarHBondContact O-N 3.06Å; L201-Q204 PolarHBondContact O-N 2.93Å; Q204-M206 VanDerWaalsContact C-N 3.32Å; Q204-M206 PolarHBondContact O-N 2.82Å; Q204-E207 PolarHBondContact O-N 3.09Å; Q204-L208 VanDerWaalsContact O-CB 3.23Å; Q204-L208 WeakPolarHBondContact O-CB 3.44Å; Q204-L208 PolarHBondContact O-N 2.9Å
205L86.6Confident83.6Confident86 Ų86101.6 Ų101.645%0.4553%0.532SS..Hα-helixtrans-61.9-36.6174-79169.2000112.8L201 K209L201-L205 WeakPolarHBondContact O-CB 3.3Å; L201-L205 WeakPolarHBondContact O-CG 3.34Å; L201-L205 PolarHBondContact O-N 3.47Å; L205-K209 WeakPolarHBondContact O-CB 3.5Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.47Å; L205-K209 PolarHBondContact O-N 3.11Å
206M87.7Confident85.1Confident99 Ų9999.5 Ų99.549%0.48852%0.518SS..Hα-helixtrans-72-41.8177.3-174.2175.6179.800112.1N202 Q203 Q204 K209 L210N202-M206 WeakPolarHBondContact O-CB 3.27Å; N202-M206 PolarHBondContact O-N 2.9Å; Q203-M206 PolarHBondContact O-N 3.17Å; Q204-M206 VanDerWaalsContact C-N 3.32Å; Q204-M206 PolarHBondContact O-N 2.82Å; M206-K209 PolarHBondContact O-N 3.13Å; M206-L210 WeakPolarHBondContact O-CG 3.46Å; M206-L210 PolarHBondContact O-N 3.01Å; M206-L210 VanDerWaalsContact O-N 3.13Å
207E89.9Confident86.3Confident126 Ų126102.8 Ų102.859%0.58952%0.518SS*.Hα-helixtrans-63.5-47.8174.7-176.8168-156.100110.9Q203 Q204 K209 L210 T211Q203-E207 PolarHBondContact O-N 3.33Å; Q204-E207 PolarHBondContact O-N 3.09Å; E207-K209 VanDerWaalsContact C-N 3.32Å; E207-K209 PolarHBondContact O-N 3.3Å; E207-L210 PolarHBondContact O-N 2.85Å; E207-L210 VanDerWaalsContact O-N 3.11Å; E207-T211 PolarHBondContact O-N 3.39Å; E207-T211 PolarHBondContact O-OG1 2.9Å; E207-T211 VanDerWaalsContact O-OG1 3.09Å
208L93.4Very high87.4Confident105 Ų105101 Ų10155%0.5551%0.51SS..Hα-helixtrans-59.8-40176.5-174.363.3000112Q204 T211 V212Q204-L208 VanDerWaalsContact O-CB 3.23Å; Q204-L208 WeakPolarHBondContact O-CB 3.44Å; Q204-L208 PolarHBondContact O-N 2.9Å; L208-T211 PolarHBondContact O-N 3.05Å; L208-V212 HydrophobicContact CD1-CG2 4.5Å; L208-V212 HydrophobicContact CG-CG2 4.48Å; L208-V212 WeakPolarHBondContact O-CB 3.37Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.26Å; L208-V212 PolarHBondContact O-N 2.9Å
209K91.9Very high88.6Confident153 Ų153101.8 Ų101.867%0.66551%0.505SS*.Hα-helixtrans-62.3-40.4174.2-82.7179.5177.1-1710113.1L205 M206 E207 V212 D213L205-K209 WeakPolarHBondContact O-CB 3.5Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.47Å; L205-K209 PolarHBondContact O-N 3.11Å; M206-K209 PolarHBondContact O-N 3.13Å; E207-K209 VanDerWaalsContact C-N 3.32Å; E207-K209 PolarHBondContact O-N 3.3Å; K209-V212 PolarHBondContact O-N 3.35Å; K209-D213 WeakPolarHBondContact O-CB 3.37Å; K209-D213 PolarHBondContact O-N 3.44Å
210L88.8Confident89.5Confident111 Ų11198.8 Ų98.858%0.58149%0.492SS*.Hα-helixtrans-68.5-37.9175.6-72.8167.4000111.6M206 E207 G214M206-L210 WeakPolarHBondContact O-CG 3.46Å; M206-L210 PolarHBondContact O-N 3.01Å; M206-L210 VanDerWaalsContact O-N 3.13Å; E207-L210 PolarHBondContact O-N 2.85Å; E207-L210 VanDerWaalsContact O-N 3.11Å; L210-G214 PolarHBondContact O-N 2.88Å
211T92.5Very high90.4Very high73 Ų7398.1 Ų98.145%0.44849%0.487SS..Hα-helixtrans-64.5-43.8173.3-54.70000111.4E207 L208 G214 L215E207-T211 PolarHBondContact O-N 3.39Å; E207-T211 PolarHBondContact O-OG1 2.9Å; E207-T211 VanDerWaalsContact O-OG1 3.09Å; L208-T211 PolarHBondContact O-N 3.05Å; T211-G214 PolarHBondContact O-N 2.82Å; T211-L215 HydrophobicContact CG2-CD1 3.95Å; T211-L215 HydrophobicContact CG2-CG 4.4Å; T211-L215 WeakPolarHBondContact O-CB 3.17Å; T211-L215 VanDerWaalsContact O-CG 3.3Å; T211-L215 WeakPolarHBondContact O-CG 3.23Å; T211-L215 PolarHBondContact O-N 3.42Å
212V95.8Very high91.2Very high64 Ų64100.1 Ų100.139%0.38849%0.489SS..Hα-helixtrans-61.9-51.8175.7169.60000110.5L208 K209 G214 L215 E216L208-V212 HydrophobicContact CD1-CG2 4.5Å; L208-V212 HydrophobicContact CG-CG2 4.48Å; L208-V212 WeakPolarHBondContact O-CB 3.37Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.26Å; L208-V212 PolarHBondContact O-N 2.9Å; K209-V212 PolarHBondContact O-N 3.35Å; V212-G214 PolarHBondContact O-N 3.07Å; V212-G214 VanDerWaalsContact O-N 3.17Å; V212-L215 CarbonylContact O-C 3.55Å; V212-L215 PolarHBondContact O-N 2.95Å; V212-E216 HydrophobicContact CG1-CG 4.01Å; V212-E216 WeakPolarHBondContact O-CB 3.05Å; V212-E216 VanDerWaalsContact O-CG 3.3Å; V212-E216 WeakPolarHBondContact O-CG 2.99Å; V212-E216 PolarHBondContact O-N 3.37Å
213D92.6Very high91.8Very high70 Ų70101.5 Ų101.537%0.37449%0.49SS..Hα-helixtrans-57.1-32.8177167.181.6000113.1K209 K217K209-D213 WeakPolarHBondContact O-CB 3.37Å; K209-D213 PolarHBondContact O-N 3.44Å; D213-K217 VanDerWaalsContact O-CD 3.31Å; D213-K217 WeakPolarHBondContact O-CD 3.45Å; D213-K217 WeakPolarHBondContact O-CG 3.37Å; D213-K217 PolarHBondContact O-N 3.42Å; D213-K217 VanDerWaalsContact OD1-CE 3.26Å; D213-K217 WeakPolarHBondContact OD1-CE 3.33Å; D213-K217 IonicContact OD1-NZ 3.38Å; D213-K217 PolarHBondContact OD1-NZ 3.44Å; D213-K217 IonicContact OD2-NZ 3.79Å; D213-K217 PolarHBondContact OD2-NZ 3.42Å
214G90.9Very high92.5Very high31 Ų3199 Ų9932%0.3249%0.486SS..Hα-helixtrans-67.9-50.8170.200000113.1L210 T211 V212 E216 K217 E218L210-G214 PolarHBondContact O-N 2.88Å; T211-G214 PolarHBondContact O-N 2.82Å; V212-G214 PolarHBondContact O-N 3.07Å; V212-G214 VanDerWaalsContact O-N 3.17Å; G214-E216 VanDerWaalsContact C-N 3.31Å; G214-E216 PolarHBondContact O-N 3.04Å; G214-K217 PolarHBondContact O-N 3.45Å; G214-E218 PolarHBondContact O-N 3.28Å
215L93.6Very high93.1Very high98 Ų9898.5 Ų98.551%0.51348%0.482SS..Hα-helixtrans-64.6-32.1179-71.1171.7000112.8T211 V212 E218 R219T211-L215 HydrophobicContact CG2-CD1 3.95Å; T211-L215 HydrophobicContact CG2-CG 4.4Å; T211-L215 WeakPolarHBondContact O-CB 3.17Å; T211-L215 VanDerWaalsContact O-CG 3.3Å; T211-L215 WeakPolarHBondContact O-CG 3.23Å; T211-L215 PolarHBondContact O-N 3.42Å; V212-L215 CarbonylContact O-C 3.55Å; V212-L215 PolarHBondContact O-N 2.95Å; L215-E218 PolarHBondContact O-N 2.86Å; L215-R219 VanDerWaalsContact O-CB 3.28Å; L215-R219 WeakPolarHBondContact O-CB 3.25Å; L215-R219 PolarHBondContact O-N 3.35Å
216E95.1Very high93.5Very high82 Ų8298.6 Ų98.638%0.38348%0.482SS..Hα-helixtrans-67.3-40.6174.3-70.6-166.1113.200111.3V212 G214 R219 D220V212-E216 HydrophobicContact CG1-CG 4.01Å; V212-E216 WeakPolarHBondContact O-CB 3.05Å; V212-E216 VanDerWaalsContact O-CG 3.3Å; V212-E216 WeakPolarHBondContact O-CG 2.99Å; V212-E216 PolarHBondContact O-N 3.37Å; G214-E216 VanDerWaalsContact C-N 3.31Å; G214-E216 PolarHBondContact O-N 3.04Å; E216-R219 WeakPolarHBondContact O-CB 3.4Å; E216-R219 PolarHBondContact O-N 3.29Å; E216-R219 IonicContact OE1-CZ 2.72Å; E216-R219 IonicContact OE1-NH1 3.6Å; E216-R219 PolarHBondContact OE1-NH1 2.81Å; E216-R219 IonicContact OE1-NH2 2.71Å; E216-D220 WeakPolarHBondContact O-CB 3.2Å; E216-D220 PolarHBondContact O-N 2.99Å
217K93.8Very high93.8Very high119 Ų11998.2 Ų98.252%0.51748%0.475SS..Hα-helixtrans-65.8-38.1173.4-71.6162.6-170159.70112.2D213 G214 F221D213-K217 VanDerWaalsContact O-CD 3.31Å; D213-K217 WeakPolarHBondContact O-CD 3.45Å; D213-K217 WeakPolarHBondContact O-CG 3.37Å; D213-K217 PolarHBondContact O-N 3.42Å; D213-K217 VanDerWaalsContact OD1-CE 3.26Å; D213-K217 WeakPolarHBondContact OD1-CE 3.33Å; D213-K217 IonicContact OD1-NZ 3.38Å; D213-K217 PolarHBondContact OD1-NZ 3.44Å; D213-K217 IonicContact OD2-NZ 3.79Å; D213-K217 PolarHBondContact OD2-NZ 3.42Å; G214-K217 PolarHBondContact O-N 3.45Å; K217-F221 WeakPolarHBondContact O-CB 3.47Å; K217-F221 PolarHBondContact O-N 2.77Å
218E95.8Very high94.1Very high107 Ų10796.8 Ų96.850%0.547%0.472SS..Hα-helixtrans-66.3-46.9173.7-70.8-175.8168.700111.3G214 L215 D220 F221 Y222G214-E218 PolarHBondContact O-N 3.28Å; L215-E218 PolarHBondContact O-N 2.86Å; E218-D220 PolarHBondContact O-N 3.39Å; E218-F221 PolarHBondContact O-N 3.02Å; E218-Y222 HydrophobicContact CB-CD2 4.47Å; E218-Y222 HydrophobicContact CB-CE2 4.19Å; E218-Y222 WeakPolarHBondContact O-CD2 3.3Å; E218-Y222 PolarHBondContact O-N 3.28Å
219R96.2Very high94.2Very high128 Ų12895.3 Ų95.348%0.48346%0.464SS..Hα-helixtrans-51.6-53.8172.2176.1-159.968.9-150.8-7.1110.9L215 E216 F221 Y222 F223L215-R219 VanDerWaalsContact O-CB 3.28Å; L215-R219 WeakPolarHBondContact O-CB 3.25Å; L215-R219 PolarHBondContact O-N 3.35Å; E216-R219 WeakPolarHBondContact O-CB 3.4Å; E216-R219 PolarHBondContact O-N 3.29Å; E216-R219 IonicContact OE1-CZ 2.72Å; E216-R219 IonicContact OE1-NH1 3.6Å; E216-R219 PolarHBondContact OE1-NH1 2.81Å; E216-R219 IonicContact OE1-NH2 2.71Å; R219-F221 VanDerWaalsContact C-N 3.32Å; R219-F221 PolarHBondContact O-N 3.33Å; R219-Y222 PolarHBondContact O-N 2.91Å; R219-F223 VanDerWaalsContact O-CB 3.23Å; R219-F223 WeakPolarHBondContact O-CB 3.22Å; R219-F223 PolarHBondContact O-N 3.36Å
220D92.8Very high94.2Very high74 Ų7489.7 Ų89.740%0.39644%0.44SS..Hα-helixtrans-66.7-34.9-175.6-65-10.6000111.7E216 E218 S224E216-D220 WeakPolarHBondContact O-CB 3.2Å; E216-D220 PolarHBondContact O-N 2.99Å; E218-D220 PolarHBondContact O-N 3.39Å; D220-S224 VanDerWaalsContact O-CB 3.22Å; D220-S224 WeakPolarHBondContact O-CB 3.42Å; D220-S224 PolarHBondContact O-N 3.14Å; D220-S224 PolarHBondContact O-OG 3.2Å
221F96.3Very high94.5Very high113 Ų11387.7 Ų87.750%0.49643%0.43SS..Hα-helixtrans-65.5-44.6173.8174.4-96.8000112.6K217 E218 R219 K225K217-F221 WeakPolarHBondContact O-CB 3.47Å; K217-F221 PolarHBondContact O-N 2.77Å; E218-F221 PolarHBondContact O-N 3.02Å; R219-F221 VanDerWaalsContact C-N 3.32Å; R219-F221 PolarHBondContact O-N 3.33Å; F221-K225 HydrophobicContact CE1-CD 4.18Å; F221-K225 VanDerWaalsContact CE2-CE 3.47Å; F221-K225 HydrophobicContact CZ-CD 4.33Å; F221-K225 WeakPolarHBondContact O-CG 3.25Å; F221-K225 PolarHBondContact O-N 3.34Å
222Y96.7Very high94.4Very high136 Ų13688.8 Ų88.853%0.53343%0.432SS..Hα-helixtrans-71.9-42.5176.6-66.7-59000111.7E218 R219 S224 K225 L226E218-Y222 HydrophobicContact CB-CD2 4.47Å; E218-Y222 HydrophobicContact CB-CE2 4.19Å; E218-Y222 WeakPolarHBondContact O-CD2 3.3Å; E218-Y222 PolarHBondContact O-N 3.28Å; R219-Y222 PolarHBondContact O-N 2.91Å; Y222-S224 PolarHBondContact O-N 2.97Å; Y222-K225 PolarHBondContact O-N 3.46Å; Y222-L226 WeakPolarHBondContact O-CG 3.28Å; Y222-L226 PolarHBondContact O-N 2.79Å
223F94.7Very high94.2Very high135 Ų13586.1 Ų86.159%0.59242%0.415SS*.Hα-helixtrans-58.5-47176.8179.2-98.7000111.5R219 K225 L226 R227R219-F223 VanDerWaalsContact O-CB 3.23Å; R219-F223 WeakPolarHBondContact O-CB 3.22Å; R219-F223 PolarHBondContact O-N 3.36Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.94Å; F223-L226 PolarHBondContact O-N 3.01Å; F223-L226 VanDerWaalsContact O-N 3.14Å; F223-R227 WeakPolarHBondContact O-CB 3.35Å; F223-R227 PolarHBondContact O-N 2.66Å
224S93.3Very high94Very high62 Ų6286.1 Ų86.143%0.43441%0.413SS..Hα-helixtrans-57.8-41.9177.4-60.20000111.7D220 Y222 R227 D228D220-S224 VanDerWaalsContact O-CB 3.22Å; D220-S224 WeakPolarHBondContact O-CB 3.42Å; D220-S224 PolarHBondContact O-N 3.14Å; D220-S224 PolarHBondContact O-OG 3.2Å; Y222-S224 PolarHBondContact O-N 2.97Å; S224-R227 PolarHBondContact O-N 3.1Å; S224-D228 VanDerWaalsContact O-CG 3.24Å; S224-D228 PolarHBondContact O-N 3.32Å
225K96.4Very high93.9Very high96 Ų9691.5 Ų91.542%0.41743%0.43SS..Hα-helixtrans-66.4-39.7175.7-71.5-178.8-171.6-51.50113.4F221 Y222 F223 R227 D228 I229F221-K225 HydrophobicContact CE1-CD 4.18Å; F221-K225 VanDerWaalsContact CE2-CE 3.47Å; F221-K225 HydrophobicContact CZ-CD 4.33Å; F221-K225 WeakPolarHBondContact O-CG 3.25Å; F221-K225 PolarHBondContact O-N 3.34Å; Y222-K225 PolarHBondContact O-N 3.46Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.94Å; K225-R227 VanDerWaalsContact C-N 3.32Å; K225-D228 PolarHBondContact O-N 2.98Å; K225-I229 WeakPolarHBondContact O-CD1 3.08Å; K225-I229 VanDerWaalsContact O-CG1 3.25Å; K225-I229 WeakPolarHBondContact O-CG1 3.47Å; K225-I229 PolarHBondContact O-N 2.84Å; K225-I229 VanDerWaalsContact O-N 3.1Å
226L95.7Very high93.4Very high88 Ų8890.8 Ų90.846%0.46142%0.424SS..Hα-helixtrans-67.2-37.8176.7-66.3170.4000110.4Y222 F223 I229 E230 L251Y222-L226 WeakPolarHBondContact O-CG 3.28Å; Y222-L226 PolarHBondContact O-N 2.79Å; F223-L226 PolarHBondContact O-N 3.01Å; F223-L226 VanDerWaalsContact O-N 3.14Å; L226-I229 PolarHBondContact O-N 3.34Å; L226-E230 WeakPolarHBondContact O-CB 3.23Å; L226-E230 PolarHBondContact O-N 3.32Å; L226-L251 HydrophobicContact CB-CD2 4.15Å; L226-L251 HydrophobicContact CD2-CD2 3.67Å; L226-L251 HydrophobicContact CG-CD2 4.42Å
227R94.7Very high92.5Very high91 Ų9194 Ų9434%0.34344%0.439SS..Hα-helixtrans-67.1-40174.8-174.458.5-175.3129.74.4112.9F223 S224 K225 I229 E230 L231F223-R227 WeakPolarHBondContact O-CB 3.35Å; F223-R227 PolarHBondContact O-N 2.66Å; S224-R227 PolarHBondContact O-N 3.1Å; K225-R227 VanDerWaalsContact C-N 3.32Å; R227-I229 VanDerWaalsContact C-N 3.32Å; R227-I229 PolarHBondContact O-N 3.2Å; R227-E230 WeakPolarHBondContact CD-OE2 3.3Å; R227-E230 IonicContact CZ-OE2 2.77Å; R227-E230 IonicContact NE-OE2 3.69Å; R227-E230 IonicContact NH1-OE1 3.79Å; R227-E230 IonicContact NH1-OE2 2.62Å; R227-E230 PolarHBondContact NH1-OE2 3.5Å; R227-E230 PolarHBondContact O-N 3.46Å; R227-L231 WeakPolarHBondContact O-CG 3.44Å; R227-L231 PolarHBondContact O-N 3.3Å
228D96.3Very high91.5Very high96 Ų9693.3 Ų93.351%0.51345%0.449SS..Hα-helixtrans-59.3-43.4172-69.6-26.1000111.1S224 K225 I232S224-D228 VanDerWaalsContact O-CG 3.24Å; S224-D228 PolarHBondContact O-N 3.32Å; K225-D228 PolarHBondContact O-N 2.98Å; D228-I232 WeakPolarHBondContact O-CD1 3.41Å; D228-I232 VanDerWaalsContact O-CG1 3.3Å; D228-I232 WeakPolarHBondContact O-CG1 3.46Å; D228-I232 PolarHBondContact O-N 3.31Å
229I94.3Very high90.6Very high74 Ų7493.4 Ų93.438%0.37945%0.453SS..Hα-helixtrans-66.3-42.9177.3-68.6164.2000111.1K225 L226 R227 I232 C233 I247 L251K225-I229 WeakPolarHBondContact O-CD1 3.08Å; K225-I229 VanDerWaalsContact O-CG1 3.25Å; K225-I229 WeakPolarHBondContact O-CG1 3.47Å; K225-I229 PolarHBondContact O-N 2.84Å; K225-I229 VanDerWaalsContact O-N 3.1Å; L226-I229 PolarHBondContact O-N 3.34Å; R227-I229 VanDerWaalsContact C-N 3.32Å; R227-I229 PolarHBondContact O-N 3.2Å; I229-I232 PolarHBondContact O-N 3.34Å; I229-C233 PolarHBondContact O-N 3.48Å; I229-C233 PolarHBondContact O-SG 2.95Å; I229-C233 VanDerWaalsContact O-SG 3.32Å; I229-I247 HydrophobicContact CG2-CG2 4.02Å; I229-L251 HydrophobicContact CG2-CD1 4.45Å
230E93.1Very high89.2Confident35 Ų3593.4 Ų93.416%0.16447%0.467CS..Hα-helixtrans-59.8-46177.6-167.6-162.9-179.700111.7L226 R227 I232 C233 Q234 M248 L251 Y252L226-E230 WeakPolarHBondContact O-CB 3.23Å; L226-E230 PolarHBondContact O-N 3.32Å; R227-E230 WeakPolarHBondContact CD-OE2 3.3Å; R227-E230 IonicContact CZ-OE2 2.77Å; R227-E230 IonicContact NE-OE2 3.69Å; R227-E230 IonicContact NH1-OE1 3.79Å; R227-E230 IonicContact NH1-OE2 2.62Å; R227-E230 PolarHBondContact NH1-OE2 3.5Å; R227-E230 PolarHBondContact O-N 3.46Å; E230-I232 PolarHBondContact O-N 3.19Å; E230-C233 WeakPolarHBondContact O-CB 3.37Å; E230-C233 PolarHBondContact O-N 3.33Å; E230-Q234 WeakPolarHBondContact O-CG 3.49Å; E230-Q234 PolarHBondContact O-N 3.08Å; E230-Q234 PolarHBondContact OE1-NE2 3.46Å; E230-M248 HydrophobicContact CG-CE 3.99Å; E230-M248 HydrophobicContact CG-SD 4.25Å; E230-L251 HydrophobicContact CB-CD1 3.98Å; E230-L251 HydrophobicContact CG-CD1 4.27Å; E230-Y252 PolarHBondContact OE1-OH 3.18Å
231L93.4Very high88.6Confident70 Ų7093 Ų9337%0.36647%0.465SS..Hα-helixtrans-57.9-46.7175.2-78.2172.1000111.8R227 C233 Q234 E235R227-L231 WeakPolarHBondContact O-CG 3.44Å; R227-L231 PolarHBondContact O-N 3.3Å; L231-C233 VanDerWaalsContact C-N 3.28Å; L231-C233 PolarHBondContact O-N 2.87Å; L231-Q234 PolarHBondContact O-N 3.01Å; L231-E235 WeakPolarHBondContact O-CG 3.42Å; L231-E235 PolarHBondContact O-N 3Å
232I91.9Very high87.9Confident96 Ų9692 Ų9249%0.49247%0.47SS..Hα-helixtrans-60.4-39.6177.5-67.8164.1000111D228 I229 E230 H236D228-I232 WeakPolarHBondContact O-CD1 3.41Å; D228-I232 VanDerWaalsContact O-CG1 3.3Å; D228-I232 WeakPolarHBondContact O-CG1 3.46Å; D228-I232 PolarHBondContact O-N 3.31Å; I229-I232 PolarHBondContact O-N 3.34Å; E230-I232 PolarHBondContact O-N 3.19Å; I232-H236 PolarHBondContact O-N 3.46Å; I232-H236 PolarHBondContact O-ND1 3.39Å
233C90.3Very high87.3Confident7 Ų791.8 Ų91.85%0.04747%0.474CS..Hα-helixtrans-67.2-41.5176.2-69.50000112.4I229 E230 L231 H236 E237 L244 M248I229-C233 PolarHBondContact O-N 3.48Å; I229-C233 PolarHBondContact O-SG 2.95Å; I229-C233 VanDerWaalsContact O-SG 3.32Å; E230-C233 WeakPolarHBondContact O-CB 3.37Å; E230-C233 PolarHBondContact O-N 3.33Å; L231-C233 VanDerWaalsContact C-N 3.28Å; L231-C233 PolarHBondContact O-N 2.87Å; C233-H236 PolarHBondContact O-N 2.83Å; C233-E237 PolarHBondContact O-N 2.92Å; C233-L244 HydrophobicContact CB-CD2 4.49Å; C233-M248 HydrophobicContact CB-CG 4.22Å; C233-M248 HydrophobicContact CB-SD 3.53Å; C233-M248 VanDerWaalsContact CB-SD 3.53Å
234Q88.9Confident86.9Confident70 Ų7086.9 Ų86.933%0.32745%0.453SS..Hα-helixtrans-65-43.1177.8-73.1167.5-11.900111.6E230 L231 H236 E237 M248 Y252E230-Q234 WeakPolarHBondContact O-CG 3.49Å; E230-Q234 PolarHBondContact O-N 3.08Å; E230-Q234 PolarHBondContact OE1-NE2 3.46Å; L231-Q234 PolarHBondContact O-N 3.01Å; Q234-H236 PolarHBondContact O-N 3.45Å; Q234-E237 WeakPolarHBondContact O-CB 3.35Å; Q234-E237 PolarHBondContact O-N 3.21Å; Q234-M248 HydrophobicContact CG-CE 3.74Å; Q234-Y252 PolarHBondContact NE2-OH 3.42Å
235E88.7Confident86.5Confident145 Ų14587.3 Ų87.368%0.67846%0.457SS*.Hα-helixtrans-59.9-30.9176.9-75179.9174.700113.4L231L231-E235 WeakPolarHBondContact O-CG 3.42Å; L231-E235 PolarHBondContact O-N 3Å
236H84.1Confident86.2Confident82 Ų8291.1 Ų91.138%0.3847%0.468SS..THydrogen-bonded Turntrans-105.411.3-176.7-61.381.2000113.5I232 C233 Q234 S238 D239 L244I232-H236 PolarHBondContact O-N 3.46Å; I232-H236 PolarHBondContact O-ND1 3.39Å; C233-H236 PolarHBondContact O-N 2.83Å; Q234-H236 PolarHBondContact O-N 3.45Å; H236-S238 PolarHBondContact O-N 3.37Å; H236-D239 IonicContact CD2-OD2 3.61Å; H236-D239 WeakPolarHBondContact O-CB 3.49Å; H236-D239 PolarHBondContact O-N 3.24Å; H236-L244 HydrophobicContact CB-CD1 3.72Å; H236-L244 WeakPolarHBondContact O-CD1 3.46Å
237E76.3Confident85.9Confident151 Ų15190 Ų9071%0.70646%0.462SS*.G310 helixtrans-58.5-34.1-176.2-172.7173.1-153.500112.5C233 Q234 D239C233-E237 PolarHBondContact O-N 2.92Å; Q234-E237 WeakPolarHBondContact O-CB 3.35Å; Q234-E237 PolarHBondContact O-N 3.21Å; E237-D239 VanDerWaalsContact C-N 3.26Å; E237-D239 PolarHBondContact O-N 2.72Å
238S72.6Confident85.6Confident103 Ų10387.2 Ų87.272%0.7245%0.454SS*.G310 helixtrans-68.1-17.2178.265.30000115.2H236 T240H236-S238 PolarHBondContact O-N 3.37Å; S238-T240 PolarHBondContact O-N 3.19Å; S238-T240 PolarHBondContact O-OG1 3.05Å
239D75.3Confident85.2Confident110 Ų11088 Ų8859%0.58846%0.458SS*.G310 helixtrans-78.23.2-178.3-70.3-32.2000113.4H236 E237 N241H236-D239 IonicContact CD2-OD2 3.61Å; H236-D239 WeakPolarHBondContact O-CB 3.49Å; H236-D239 PolarHBondContact O-N 3.24Å; E237-D239 VanDerWaalsContact C-N 3.26Å; E237-D239 PolarHBondContact O-N 2.72Å; D239-N241 VanDerWaalsContact C-N 3.26Å; D239-N241 PolarHBondContact O-N 2.9Å
240T67.2Low85.1Confident127 Ų12790.2 Ų90.278%0.77947%0.469SS*.  trans52.640174.3-40.40000113.2S238 P242S238-T240 PolarHBondContact O-N 3.19Å; S238-T240 PolarHBondContact O-OG1 3.05Å; T240-P242 WeakPolarHBondContact O-CD 3.39Å
241N80.6Confident84.9Confident66 Ų6690.8 Ų90.835%0.35347%0.473SS..  trans-88.4112.2178.9-177-10.8000110.8D239 H243 L244D239-N241 VanDerWaalsContact C-N 3.26Å; D239-N241 PolarHBondContact O-N 2.9Å; N241-H243 PolarHBondContact O-N 3.46Å; N241-H243 WeakPolarHBondContact OD1-CB 3.33Å; N241-H243 PolarHBondContact OD1-CD2 3.07Å; N241-H243 PolarHBondContact OD1-N 2.6Å; N241-L244 HydrophobicContact CB-CD1 3.98Å; N241-L244 HydrophobicContact CB-CG 3.96Å; N241-L244 PolarHBondContact O-N 3.18Å
242P80.6Confident84.7Confident93 Ų9393.8 Ų93.860%0.60448%0.48SS*.Hα-helixtrans-65.1-13.5-176.728.3-36.4000113.8T240T240-P242 WeakPolarHBondContact O-CD 3.39Å
243H84.2Confident84.5Confident131 Ų13192.6 Ų92.661%0.60649%0.485SS*.Hα-helixtrans-76.4-28.3172.6-62.4-71.2000112.8N241 I247N241-H243 PolarHBondContact O-N 3.46Å; N241-H243 WeakPolarHBondContact OD1-CB 3.33Å; N241-H243 PolarHBondContact OD1-CD2 3.07Å; N241-H243 PolarHBondContact OD1-N 2.6Å; H243-I247 WeakPolarHBondContact O-CG1 3.48Å; H243-I247 PolarHBondContact O-N 3.16Å
244L87.1Confident84Confident31 Ų3197.4 Ų97.416%0.16251%0.514CS..Hα-helixtrans-70.5-47177.5-63.5179000110.8C233 H236 N241 R246 I247 M248C233-L244 HydrophobicContact CB-CD2 4.49Å; H236-L244 HydrophobicContact CB-CD1 3.72Å; H236-L244 WeakPolarHBondContact O-CD1 3.46Å; N241-L244 HydrophobicContact CB-CD1 3.98Å; N241-L244 HydrophobicContact CB-CG 3.96Å; N241-L244 PolarHBondContact O-N 3.18Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.04Å; L244-I247 WeakPolarHBondContact O-CA 3.49Å; L244-I247 WeakPolarHBondContact O-CB 3.5Å; L244-I247 PolarHBondContact O-N 3.27Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 3.04Å
245S85.7Confident83Confident72 Ų72101.6 Ų101.650%0.50353%0.534SS..Hα-helixtrans-54.4-43.7174.8-48.30000111.6I247 M248 D249S245-I247 VanDerWaalsContact C-N 3.29Å; S245-I247 PolarHBondContact O-N 2.99Å; S245-M248 PolarHBondContact O-N 2.96Å; S245-M248 VanDerWaalsContact O-N 3.16Å; S245-D249 VanDerWaalsContact O-CG 3.24Å; S245-D249 PolarHBondContact O-N 2.87Å
246R88.4Confident81.1Confident176 Ų176103.1 Ų103.166%0.66455%0.547SS*.Hα-helixtrans-65.8-26.7177-174.7172.1-179.2160.83.7114.1L244 I250L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.04Å; R246-I250 WeakPolarHBondContact O-CD1 3.45Å; R246-I250 WeakPolarHBondContact O-CG1 3.45Å
247I90.7Very high79.7Confident65 Ų65102.7 Ų102.733%0.33357%0.565SS.*Hα-helixtrans-74.3-43.6172.6-69.5163.5000109.4I229 H243 L244 S245 D249 I250 L251I229-I247 HydrophobicContact CG2-CG2 4.02Å; H243-I247 WeakPolarHBondContact O-CG1 3.48Å; H243-I247 PolarHBondContact O-N 3.16Å; L244-I247 WeakPolarHBondContact O-CA 3.49Å; L244-I247 WeakPolarHBondContact O-CB 3.5Å; L244-I247 PolarHBondContact O-N 3.27Å; S245-I247 VanDerWaalsContact C-N 3.29Å; S245-I247 PolarHBondContact O-N 2.99Å; I247-D249 VanDerWaalsContact C-N 3.35Å; I247-D249 PolarHBondContact O-N 3.19Å; I247-I250 WeakPolarHBondContact O-CB 3.44Å; I247-I250 PolarHBondContact O-N 2.99Å; I247-I250 VanDerWaalsContact O-N 3.08Å; I247-L251 HydrophobicContact CG2-CD1 4.09Å; I247-L251 HydrophobicContact CG2-CG 4.39Å; I247-L251 WeakPolarHBondContact O-CG 3.33Å; I247-L251 PolarHBondContact O-N 3.09Å
248M88.2Confident78.5Confident32 Ų32103.6 Ų103.616%0.15857%0.566CS.*Hα-helixtrans-60.8-42175.5-59.5-60.4-90.400111.8E230 C233 Q234 L244 S245 I250 L251 Y252E230-M248 HydrophobicContact CG-CE 3.99Å; E230-M248 HydrophobicContact CG-SD 4.25Å; C233-M248 HydrophobicContact CB-CG 4.22Å; C233-M248 HydrophobicContact CB-SD 3.53Å; C233-M248 VanDerWaalsContact CB-SD 3.53Å; Q234-M248 HydrophobicContact CG-CE 3.74Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 3.04Å; S245-M248 PolarHBondContact O-N 2.96Å; S245-M248 VanDerWaalsContact O-N 3.16Å; M248-I250 PolarHBondContact O-N 3.38Å; M248-L251 PolarHBondContact O-N 3.2Å; M248-L251 VanDerWaalsContact O-N 3.09Å; M248-L251 HydrophobicContact SD-CD1 4.11Å; M248-Y252 HydrophobicContact CB-CD2 4.37Å; M248-Y252 HydrophobicContact CB-CE2 4.21Å; M248-Y252 HydrophobicContact CE-CE2 3.8Å; M248-Y252 WeakPolarHBondContact CE-OH 3.46Å; M248-Y252 VanDerWaalsContact O-CD2 3.25Å; M248-Y252 WeakPolarHBondContact O-CD2 3.4Å; M248-Y252 PolarHBondContact O-N 2.87Å
249D88.6Confident77.9Confident113 Ų113102.4 Ų102.460%0.60456%0.563SS**Hα-helixtrans-56.4-32.2173.7-67-27.5000112.8S245 I247 A253S245-D249 VanDerWaalsContact O-CG 3.24Å; S245-D249 PolarHBondContact O-N 2.87Å; I247-D249 VanDerWaalsContact C-N 3.35Å; I247-D249 PolarHBondContact O-N 3.19Å; D249-A253 WeakPolarHBondContact O-CB 3.25Å; D249-A253 PolarHBondContact O-N 2.99Å
250I90.7Very high76.9Confident119 Ų119100.9 Ų100.961%0.6157%0.566SS**Hα-helixtrans-80.7-37.3177.3-67165.9000111R246 I247 M248 A253R246-I250 WeakPolarHBondContact O-CD1 3.45Å; R246-I250 WeakPolarHBondContact O-CG1 3.45Å; I247-I250 WeakPolarHBondContact O-CB 3.44Å; I247-I250 PolarHBondContact O-N 2.99Å; I247-I250 VanDerWaalsContact O-N 3.08Å; M248-I250 PolarHBondContact O-N 3.38Å; I250-A253 PolarHBondContact O-N 3.18Å
251L89.8Confident76.3Confident48 Ų48100.4 Ų100.425%0.25157%0.565SS.*Hα-helixtrans-68.4-35.3179.5-68.8174.9000112.6L226 I229 E230 I247 M248L226-L251 HydrophobicContact CB-CD2 4.15Å; L226-L251 HydrophobicContact CD2-CD2 3.67Å; L226-L251 HydrophobicContact CG-CD2 4.42Å; I229-L251 HydrophobicContact CG2-CD1 4.45Å; E230-L251 HydrophobicContact CB-CD1 3.98Å; E230-L251 HydrophobicContact CG-CD1 4.27Å; I247-L251 HydrophobicContact CG2-CD1 4.09Å; I247-L251 HydrophobicContact CG2-CG 4.39Å; I247-L251 WeakPolarHBondContact O-CG 3.33Å; I247-L251 PolarHBondContact O-N 3.09Å; M248-L251 PolarHBondContact O-N 3.2Å; M248-L251 VanDerWaalsContact O-N 3.09Å; M248-L251 HydrophobicContact SD-CD1 4.11Å
252Y88.9Confident74.7Confident132 Ų132104.3 Ų104.352%0.51859%0.586SS.*THydrogen-bonded Turntrans-96.26.9177.1-55.8-58.5000114.1E230 Q234 M248 T254E230-Y252 PolarHBondContact OE1-OH 3.18Å; Q234-Y252 PolarHBondContact NE2-OH 3.42Å; M248-Y252 HydrophobicContact CB-CD2 4.37Å; M248-Y252 HydrophobicContact CB-CE2 4.21Å; M248-Y252 HydrophobicContact CE-CE2 3.8Å; M248-Y252 WeakPolarHBondContact CE-OH 3.46Å; M248-Y252 VanDerWaalsContact O-CD2 3.25Å; M248-Y252 WeakPolarHBondContact O-CD2 3.4Å; M248-Y252 PolarHBondContact O-N 2.87Å; Y252-T254 PolarHBondContact O-N 3.3Å
253A88.4Confident73.2Confident72 Ų72107.4 Ų107.460%0.59560%0.597SS**  trans-68.5114.1175.300000110.5D249 I250D249-A253 WeakPolarHBondContact O-CB 3.25Å; D249-A253 PolarHBondContact O-N 2.99Å; I250-A253 PolarHBondContact O-N 3.18Å
254T78.8Confident71.2Confident107 Ų107108.6 Ų108.666%0.65661%0.608SS**  trans-93.2140.1173.949.40000111.3Y252Y252-T254 PolarHBondContact O-N 3.3Å
255E68.3Low69.1Low158 Ų158116.2 Ų116.274%0.73864%0.643SS**  trans-92.9149.5167.6-157.2170.9-143.800109.3G257 F258E255-G257 PolarHBondContact O-N 3.18Å; E255-F258 PolarHBondContact O-N 3.29Å
256D49.6Very low67.2Low177 Ų177120.6 Ų120.695%0.94766%0.659SS**THydrogen-bonded Turntrans-64.4105.2-169-148-15.5000111
257G54.1Low65.2Low74 Ų74119.6 Ų119.676%0.76367%0.667SS**THydrogen-bonded Turntrans108.5-3.6-172.200000116.2E255E255-G257 PolarHBondContact O-N 3.18Å
258F51.4Low62.9Low169 Ų169124.5 Ų124.574%0.74169%0.688SS**  trans-114.639.3173.6-86.5-88.8000112.2E255E255-F258 PolarHBondContact O-N 3.29Å
259A59.4Low60.5Low78 Ų78131.6 Ų131.665%0.64572%0.721SS**PPolyproline II helixtrans-63.5140.8166.300000109.8
260A54.8Low58.3Low78 Ų78131.3 Ų131.365%0.64573%0.734SS**PPolyproline II helixtrans-58.5143.3164.900000108.8D262A260-D262 PolarHBondContact O-N 3.27Å
261P53.6Low56Low117 Ų117134.3 Ų134.376%0.7675%0.745SS**PPolyproline II helixtrans-56.2134.6162.1-15.929.9000107.9D263P261-D263 PolarHBondContact O-N 3.41Å
262D47.9Very low53.6Low148 Ų148139 Ų13979%0.79177%0.77SS**PPolyproline II helixtrans-58.4127.5175.8-60.3-60.9000109A260 D264A260-D262 PolarHBondContact O-N 3.27Å; D262-D264 PolarHBondContact O-N 3.42Å
263D48.8Very low51.4Low159 Ų159140.9 Ų140.985%0.8579%0.789SS**THydrogen-bonded Turntrans-67.410.3-171.6-88.2-40.3000114.6P261P261-D263 PolarHBondContact O-N 3.41Å
264D42.4Very low49.3Very low155 Ų155146.1 Ų146.183%0.82980%0.801SS**THydrogen-bonded Turntrans-95.51-165.9-80.8-36.9000115.7D262D262-D264 PolarHBondContact O-N 3.42Å
265E43.4Very low47.7Very low191 Ų191148.4 Ų148.489%0.89381%0.809SS**SBendtrans-121.535.6-179.4-69.3-163.3170.600115.3
266I44.3Very low46.7Very low164 Ų164149.5 Ų149.584%0.84182%0.815SS**  trans-124.766.9166-46.1-179.4000111.6
267D46.3Very low46.4Very low155 Ų155155.4 Ų155.483%0.82983%0.826SS**SBendtrans-154.2165.6148-139.3-22.7000113.3
268E42.2Very low46Very low168 Ų168159.5 Ų159.579%0.78583%0.829SS**SBendtrans75.24.1164.8-63.7-151.8131.100123.1
269Q38.4Very low45.7Very low182 Ų182159 Ų15985%0.8583%0.833SS**SBendtrans-110.32.7175.4-133.27273.900117.9
270A42.2Very low44.9Very low107 Ų107163.5 Ų163.588%0.88484%0.844SS**SBendtrans-100.2-0.8-175.900000115.8
271H42.4Very low44.3Very low181 Ų181168.5 Ų168.584%0.83886%0.856SS**SBendtrans-122.613.1-160.8-135.7-54.7000117.5
272L40.9Very low43.8Very low147 Ų147171.8 Ų171.877%0.7786%0.862SS**SBendtrans-120.4-12-176-72.9176000117.4Q274L272-Q274 PolarHBondContact O-N 2.87Å
273D42Very low43.5Very low172 Ų172173.3 Ų173.392%0.9287%0.866SS**THydrogen-bonded Turntrans-99.844.5-177.3-75.3-15.2000113.6
274Q45Very low43.1Very low181 Ų181174.4 Ų174.485%0.84687%0.867SS**THydrogen-bonded Turntrans-136.81.8173.2-146.7161.5110.500116L272L272-Q274 PolarHBondContact O-N 2.87Å
275D45.3Very low43.2Very low155 Ų155175.8 Ų175.883%0.82987%0.87SS**SBendtrans-138.171.4178.1-79.6-53000112.7
276E45.5Very low43.1Very low182 Ų182174.6 Ų174.685%0.8587%0.869SS**  trans-163.1121.3142.5-114.3-172.6162.900113.9
277Y43.2Very low43Very low301 Ų301175.5 Ų175.5100%1.1887%0.871SS**  trans55.20161.6-88.8-84.5000121.9

Retrieved 277 of 277 residues in 729.7 ms (Link to these results)

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