A0A077YVX6_TRITR Loading...

Vacuolar protein sorting associated protein VTA1

AlphaFold DB , UniProt , Accession A0A077YVX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 259 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
1M47.2Very low85.3Confident239 Ų23974.5 Ų74.5100%1.17739%0.393SS*.  0123.40-68.1-164.8-149.800107.4S3M1-S3 PolarHBondContact O-N 3.21Å
2T64.4Low86Confident76 Ų7670.9 Ų70.947%0.46638%0.379SS..PPolyproline II helixtrans-63.8128.7175.1-38.90000108.3F53 E56T2-F53 HydrophobicContact CG2-CD2 4.2Å; T2-E56 WeakPolarHBondContact CB-OE2 3.49Å; T2-E56 PolarHBondContact OG1-OE2 3.1Å
3S85Confident86.6Confident90 Ų9066.2 Ų66.263%0.62935%0.354SS*.PPolyproline II helixtrans-59.4138.6177.149.50000109.8M1 P5M1-S3 PolarHBondContact O-N 3.21Å; S3-P5 WeakPolarHBondContact O-CD 3.49Å
4I90Very high87.3Confident47 Ų4762.9 Ų62.924%0.24134%0.335CS..PPolyproline II helixtrans-63.6126.8176.3-171.9173.6000109.7Y8 K9 L15 F36I4-Y8 VanDerWaalsContact CD1-O 3.32Å; I4-Y8 WeakPolarHBondContact CD1-O 3.31Å; I4-K9 HydrophobicContact CG2-CG 4.11Å; I4-L15 HydrophobicContact CD1-CD1 3.77Å; I4-L15 HydrophobicContact CG1-CD1 4.4Å; I4-F36 HydrophobicContact CD1-CE2 4.27Å
5P93.6Very high87.8Confident1 Ų160.6 Ų60.61%0.00632%0.322CS..PPolyproline II helixtrans-54.9143.9174-27.134000111.9S3 K7 Y8 K9 E49 F53S3-P5 WeakPolarHBondContact O-CD 3.49Å; P5-K7 PolarHBondContact O-N 3.48Å; P5-K7 VanDerWaalsContact O-N 3.12Å; P5-Y8 HydrophobicContact CB-CD2 3.96Å; P5-Y8 HydrophobicContact CB-CE2 4.37Å; P5-Y8 HydrophobicContact CB-CG 4.45Å; P5-Y8 HydrophobicContact CG-CD2 3.79Å; P5-Y8 HydrophobicContact CG-CE2 4.05Å; P5-Y8 PolarHBondContact O-N 2.63Å; P5-K9 PolarHBondContact O-N 3.32Å; P5-E49 WeakPolarHBondContact CA-OE1 3.41Å; P5-E49 HydrophobicContact CB-CG 4.34Å; P5-E49 HydrophobicContact CG-CG 4.11Å; P5-F53 HydrophobicContact CG-CB 3.83Å; P5-F53 HydrophobicContact CG-CD2 4.23Å; P5-F53 HydrophobicContact CG-CG 3.96Å
6E91.6Very high88.2Confident116 Ų11657.8 Ų57.854%0.54231%0.307SS..G310 helixtrans-52.4-42.1-175.4-170.463.1-139.100112.3Y8 K9E6-Y8 PolarHBondContact O-N 3Å; E6-K9 VanDerWaalsContact CD-CE 3.48Å; E6-K9 WeakPolarHBondContact O-CB 3.24Å; E6-K9 PolarHBondContact O-N 3.47Å; E6-K9 VanDerWaalsContact O-N 3.16Å; E6-K9 VanDerWaalsContact OE1-CD 3.27Å; E6-K9 WeakPolarHBondContact OE1-CD 3.4Å; E6-K9 WeakPolarHBondContact OE1-CE 3.44Å; E6-K9 IonicContact OE1-NZ 2.57Å; E6-K9 PolarHBondContact OE1-NZ 3.47Å; E6-K9 WeakPolarHBondContact OE2-CE 3.4Å; E6-K9 IonicContact OE2-NZ 2.6Å; E6-K9 PolarHBondContact OE2-NZ 2.91Å
7K92.8Very high88.6Confident106 Ų10654.4 Ų54.446%0.46129%0.289SS..G310 helixtrans-61.4-27.6-179.2-66.2-179.6173.8176.30112.9P5 I43 D44 S47P5-K7 PolarHBondContact O-N 3.48Å; P5-K7 VanDerWaalsContact O-N 3.12Å; K7-I43 HydrophobicContact CB-CG2 4.07Å; K7-D44 HydrophobicContact CD-CB 3.89Å; K7-D44 WeakPolarHBondContact CD-OD2 3.39Å; K7-D44 WeakPolarHBondContact CE-OD2 3.42Å; K7-D44 IonicContact NZ-OD2 3.68Å; K7-D44 PolarHBondContact NZ-OD2 3.17Å; K7-S47 PolarHBondContact NZ-OG 3.48Å
8Y95Very high89Confident0 Ų051.4 Ų51.40%027%0.273CS..G310 helixtrans-95.9-0-178.8-57.7-25.4000113.8I4 P5 E6 S10 L11 S12 F36 A40 I43 D44 C50 F53 L54I4-Y8 VanDerWaalsContact CD1-O 3.32Å; I4-Y8 WeakPolarHBondContact CD1-O 3.31Å; P5-Y8 HydrophobicContact CB-CD2 3.96Å; P5-Y8 HydrophobicContact CB-CE2 4.37Å; P5-Y8 HydrophobicContact CB-CG 4.45Å; P5-Y8 HydrophobicContact CG-CD2 3.79Å; P5-Y8 HydrophobicContact CG-CE2 4.05Å; P5-Y8 PolarHBondContact O-N 2.63Å; E6-Y8 PolarHBondContact O-N 3Å; Y8-S10 PolarHBondContact O-N 3.33Å; Y8-S10 VanDerWaalsContact O-N 3.12Å; Y8-L11 WeakPolarHBondContact O-CA 3.11Å; Y8-L11 WeakPolarHBondContact O-CB 3.4Å; Y8-L11 PolarHBondContact O-N 2.87Å; Y8-S12 PolarHBondContact O-N 3.05Å; Y8-F36 HydrophobicContact CD2-CZ 4.17Å; Y8-F36 HydrophobicContact CG-CZ 4.33Å; Y8-A40 HydrophobicContact CD1-CB 3.89Å; Y8-A40 HydrophobicContact CD2-CB 4.37Å; Y8-A40 HydrophobicContact CE1-CB 3.68Å; Y8-A40 VanDerWaalsContact CE1-O 3.27Å; Y8-A40 WeakPolarHBondContact CE1-O 3.47Å; Y8-A40 HydrophobicContact CE2-CB 4.18Å; Y8-A40 HydrophobicContact CG-CB 4.23Å; Y8-I43 HydrophobicContact CD1-CB 4.39Å; Y8-I43 HydrophobicContact CD1-CG2 4.25Å; Y8-I43 HydrophobicContact CE1-CB 4.3Å; Y8-I43 HydrophobicContact CE1-CG2 4.33Å; Y8-D44 HydrophobicContact CE1-CB 4.47Å; Y8-D44 PolarHBondContact OH-O 3.12Å; Y8-C50 HydrophobicContact CE2-CB 4.13Å; Y8-C50 VanDerWaalsContact OH-CB 3.24Å; Y8-C50 WeakPolarHBondContact OH-CB 3.47Å; Y8-F53 HydrophobicContact CD2-CD1 4.08Å; Y8-F53 HydrophobicContact CE2-CD1 4.14Å; Y8-L54 HydrophobicContact CE2-CD2 4.46Å; Y8-L54 HydrophobicContact CE2-CG 4.26Å; Y8-L54 WeakPolarHBondContact OH-CD1 3.36Å; Y8-L54 WeakPolarHBondContact OH-CG 3.31Å
9K92.4Very high89.2Confident70 Ų7053.8 Ų53.830%0.30429%0.29SS..G310 helixtrans-59.1-28.3-178-74.1-171.2-176.1164.40113.8I4 P5 E6 L11 S12I4-K9 HydrophobicContact CG2-CG 4.11Å; P5-K9 PolarHBondContact O-N 3.32Å; E6-K9 VanDerWaalsContact CD-CE 3.48Å; E6-K9 WeakPolarHBondContact O-CB 3.24Å; E6-K9 PolarHBondContact O-N 3.47Å; E6-K9 VanDerWaalsContact O-N 3.16Å; E6-K9 VanDerWaalsContact OE1-CD 3.27Å; E6-K9 WeakPolarHBondContact OE1-CD 3.4Å; E6-K9 WeakPolarHBondContact OE1-CE 3.44Å; E6-K9 IonicContact OE1-NZ 2.57Å; E6-K9 PolarHBondContact OE1-NZ 3.47Å; E6-K9 WeakPolarHBondContact OE2-CE 3.4Å; E6-K9 IonicContact OE2-NZ 2.6Å; E6-K9 PolarHBondContact OE2-NZ 2.91Å; K9-L11 PolarHBondContact O-N 2.96Å; K9-S12 VanDerWaalsContact O-CB 3.27Å; K9-S12 WeakPolarHBondContact O-CB 3.27Å; K9-S12 PolarHBondContact O-N 2.96Å; K9-S12 VanDerWaalsContact O-N 3.16Å; K9-S12 PolarHBondContact O-OG 2.81Å
10S91.7Very high89.4Confident59 Ų5953.9 Ų53.941%0.41329%0.288SS..G310 helixtrans-63.2-23.1172.351.50000113.3Y8 P13Y8-S10 PolarHBondContact O-N 3.33Å; Y8-S10 VanDerWaalsContact O-N 3.12Å; S10-P13 WeakPolarHBondContact O-CD 3.3Å
11L95.2Very high89.7Confident15 Ų1551.4 Ų51.48%0.07928%0.275CS..G310 helixtrans-95.81177.2-56.8178.5000113.2Y8 K9 P13 Y14 F36 R39 A40 I43Y8-L11 WeakPolarHBondContact O-CA 3.11Å; Y8-L11 WeakPolarHBondContact O-CB 3.4Å; Y8-L11 PolarHBondContact O-N 2.87Å; K9-L11 PolarHBondContact O-N 2.96Å; L11-P13 WeakPolarHBondContact O-CD 3.01Å; L11-P13 VanDerWaalsContact O-N 3.14Å; L11-Y14 HydrophobicContact CB-CD2 4.21Å; L11-Y14 HydrophobicContact CD2-CD2 4.12Å; L11-Y14 HydrophobicContact CD2-CE2 3.95Å; L11-Y14 WeakPolarHBondContact O-CD2 3.36Å; L11-Y14 PolarHBondContact O-N 2.55Å; L11-Y14 VanDerWaalsContact O-N 3.13Å; L11-F36 HydrophobicContact CB-CD2 3.54Å; L11-F36 HydrophobicContact CB-CE2 3.48Å; L11-F36 VanDerWaalsContact CB-CE2 3.48Å; L11-F36 HydrophobicContact CD1-CD2 4.32Å; L11-F36 HydrophobicContact CD1-CE2 4.28Å; L11-F36 WeakPolarHBondContact O-CD2 3.4Å; L11-R39 HydrophobicContact CD1-CB 3.72Å; L11-R39 HydrophobicContact CD2-CB 3.72Å; L11-R39 HydrophobicContact CD2-CG 4.38Å; L11-R39 HydrophobicContact CG-CB 4.39Å; L11-A40 HydrophobicContact CD1-CB 3.78Å; L11-I43 HydrophobicContact CD1-CD1 3.64Å; L11-I43 HydrophobicContact CD2-CD1 4.39Å; L11-I43 HydrophobicContact CG-CD1 3.86Å
12S93.5Very high91.9Very high32 Ų3241.9 Ų41.922%0.22423%0.234CC..Hα-helixtrans-49.4-34.2174.259.70000114.8Y8 K9 Y14 L15 I16Y8-S12 PolarHBondContact O-N 3.05Å; K9-S12 VanDerWaalsContact O-CB 3.27Å; K9-S12 WeakPolarHBondContact O-CB 3.27Å; K9-S12 PolarHBondContact O-N 2.96Å; K9-S12 VanDerWaalsContact O-N 3.16Å; K9-S12 PolarHBondContact O-OG 2.81Å; S12-Y14 PolarHBondContact O-N 3.03Å; S12-L15 PolarHBondContact O-N 2.6Å; S12-L15 VanDerWaalsContact O-N 3.09Å; S12-I16 WeakPolarHBondContact O-CG1 3.46Å; S12-I16 PolarHBondContact O-N 2.57Å
13P93.4Very high93.2Very high9 Ų948.4 Ų48.46%0.05826%0.256CS..Hα-helixtrans-61.6-31.3-179.1-22.936.4000113.4S10 L11 I16 L17 H117 S213S10-P13 WeakPolarHBondContact O-CD 3.3Å; L11-P13 WeakPolarHBondContact O-CD 3.01Å; L11-P13 VanDerWaalsContact O-N 3.14Å; P13-I16 PolarHBondContact O-N 2.88Å; P13-L17 VanDerWaalsContact O-CB 3.3Å; P13-L17 WeakPolarHBondContact O-CB 2.93Å; P13-L17 PolarHBondContact O-N 2.79Å; P13-H117 WeakPolarHBondContact CB-NE2 3.44Å; P13-S213 VanDerWaalsContact CG-OG 3.23Å; P13-S213 WeakPolarHBondContact CG-OG 3.37Å
14Y96.4Very high93.6Very high21 Ų2148.7 Ų48.78%0.08224%0.244CC..Hα-helixtrans-74.9-31.6178-54.6-72.5000112.5L11 S12 S18 Y35 H117 D120 I121L11-Y14 HydrophobicContact CB-CD2 4.21Å; L11-Y14 HydrophobicContact CD2-CD2 4.12Å; L11-Y14 HydrophobicContact CD2-CE2 3.95Å; L11-Y14 WeakPolarHBondContact O-CD2 3.36Å; L11-Y14 PolarHBondContact O-N 2.55Å; L11-Y14 VanDerWaalsContact O-N 3.13Å; S12-Y14 PolarHBondContact O-N 3.03Å; Y14-S18 VanDerWaalsContact O-CB 3.23Å; Y14-S18 WeakPolarHBondContact O-CB 3.45Å; Y14-S18 PolarHBondContact O-N 3.08Å; Y14-Y35 AromaticContact CD1-CD1 3.67Å; Y14-Y35 HydrophobicContact CD1-CD1 3.67Å; Y14-Y35 AromaticContact CD1-CE1 3.9Å; Y14-Y35 HydrophobicContact CD1-CE1 3.9Å; Y14-Y35 HydrophobicContact CD2-CD1 4.13Å; Y14-Y35 HydrophobicContact CD2-CE1 4.04Å; Y14-Y35 AromaticContact CE1-CD1 3.71Å; Y14-Y35 HydrophobicContact CE1-CD1 3.71Å; Y14-Y35 AromaticContact CE1-CE1 3.45Å; Y14-Y35 HydrophobicContact CE1-CE1 3.45Å; Y14-Y35 VanDerWaalsContact CE1-CE1 3.45Å; Y14-Y35 HydrophobicContact CE2-CD1 4.18Å; Y14-Y35 AromaticContact CE2-CE1 3.62Å; Y14-Y35 HydrophobicContact CE2-CE1 3.62Å; Y14-Y35 AromaticContact CG-CD1 3.89Å; Y14-Y35 HydrophobicContact CG-CD1 3.89Å; Y14-Y35 HydrophobicContact CG-CE1 4.18Å; Y14-Y35 AromaticContact CZ-CD1 3.98Å; Y14-Y35 AromaticContact CZ-CE1 3.3Å; Y14-H117 HydrophobicContact CD1-CB 4.45Å; Y14-H117 HydrophobicContact CE1-CB 4.1Å; Y14-H117 AromaticContact CE1-ND1 3.95Å; Y14-D120 HydrophobicContact CE1-CB 4.04Å; Y14-D120 PolarHBondContact OH-OD2 3.49Å; Y14-I121 HydrophobicContact CD1-CD1 4.3Å; Y14-I121 HydrophobicContact CD1-CG1 4.17Å; Y14-I121 HydrophobicContact CE1-CG1 4.44Å
15L95.1Very high93.9Very high28 Ų2847.4 Ų47.415%0.14724%0.237CC..Hα-helixtrans-70.7-39.4172.8-64.3-175.5000111.6I4 S12 S18 T19 L33 F36 F53I4-L15 HydrophobicContact CD1-CD1 3.77Å; I4-L15 HydrophobicContact CG1-CD1 4.4Å; S12-L15 PolarHBondContact O-N 2.6Å; S12-L15 VanDerWaalsContact O-N 3.09Å; L15-S18 PolarHBondContact O-N 3.19Å; L15-T19 WeakPolarHBondContact O-CB 3.42Å; L15-T19 PolarHBondContact O-N 3.05Å; L15-T19 PolarHBondContact O-OG1 2.54Å; L15-L33 HydrophobicContact CD2-CD2 3.63Å; L15-F36 HydrophobicContact CD1-CD2 4.22Å; L15-F36 HydrophobicContact CD1-CE2 3.67Å; L15-F36 HydrophobicContact CD1-CZ 3.94Å; L15-F36 HydrophobicContact CD2-CB 4.32Å; L15-F36 HydrophobicContact CD2-CD1 3.91Å; L15-F36 HydrophobicContact CD2-CD2 3.61Å; L15-F36 HydrophobicContact CD2-CE1 4.18Å; L15-F36 HydrophobicContact CD2-CE2 3.86Å; L15-F36 HydrophobicContact CD2-CG 3.66Å; L15-F36 HydrophobicContact CD2-CZ 4.15Å; L15-F36 HydrophobicContact CG-CD2 3.58Å; L15-F36 HydrophobicContact CG-CE2 3.56Å; L15-F36 HydrophobicContact CG-CG 4.17Å; L15-F36 HydrophobicContact CG-CZ 4.16Å; L15-F53 HydrophobicContact CD1-CZ 4.26Å
16I93.5Very high94.1Very high15 Ų1549.2 Ų49.28%0.07725%0.249CC..Hα-helixtrans-62.4-52.9175.1-64.7161.7000109.1S12 P13 S18 T19 E20 E209 Y210S12-I16 WeakPolarHBondContact O-CG1 3.46Å; S12-I16 PolarHBondContact O-N 2.57Å; P13-I16 PolarHBondContact O-N 2.88Å; I16-S18 VanDerWaalsContact C-N 3.3Å; I16-S18 PolarHBondContact O-N 3.02Å; I16-T19 PolarHBondContact O-N 3.44Å; I16-T19 VanDerWaalsContact O-N 3.08Å; I16-E20 HydrophobicContact CG2-CG 4.49Å; I16-E20 WeakPolarHBondContact CG2-OE1 3.31Å; I16-E20 WeakPolarHBondContact O-CG 3.33Å; I16-E20 PolarHBondContact O-N 3.42Å; I16-E209 HydrophobicContact CD1-CB 3.65Å; I16-E209 HydrophobicContact CG1-CB 4.27Å; I16-Y210 HydrophobicContact CG2-CE2 4.22Å
17L94.9Very high94.3Very high0 Ų043.9 Ų43.90%022%0.224CC..Hα-helixtrans-55.3-45.8177.4-175.969.1000111.5P13 T19 E20 H21 V28 H117 L118 I121P13-L17 VanDerWaalsContact O-CB 3.3Å; P13-L17 WeakPolarHBondContact O-CB 2.93Å; P13-L17 PolarHBondContact O-N 2.79Å; L17-T19 PolarHBondContact O-N 3.04Å; L17-E20 PolarHBondContact O-N 3.19Å; L17-H21 PolarHBondContact O-N 3.49Å; L17-H21 PolarHBondContact O-ND1 2.92Å; L17-V28 HydrophobicContact CG-CG1 4.48Å; L17-H117 HydrophobicContact CD2-CB 3.9Å; L17-L118 HydrophobicContact CD2-CD2 4.08Å; L17-L118 HydrophobicContact CD2-CG 4.23Å; L17-I121 HydrophobicContact CD2-CD1 3.63Å
18S95.9Very high94.6Very high1 Ų138.8 Ų38.81%0.00720%0.202CC..Hα-helixtrans-58.8-47.3175.91780000112.3Y14 L15 I16 E20 H21 A22 H29 L33Y14-S18 VanDerWaalsContact O-CB 3.23Å; Y14-S18 WeakPolarHBondContact O-CB 3.45Å; Y14-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-N 3.19Å; I16-S18 VanDerWaalsContact C-N 3.3Å; I16-S18 PolarHBondContact O-N 3.02Å; S18-E20 VanDerWaalsContact C-N 3.34Å; S18-E20 PolarHBondContact O-N 3Å; S18-H21 PolarHBondContact O-N 3.34Å; S18-A22 PolarHBondContact O-N 3.22Å; S18-H29 PolarHBondContact O-ND1 2.9Å; S18-H29 PolarHBondContact OG-CE1 3.01Å; S18-H29 VanDerWaalsContact OG-CE1 3.25Å; S18-H29 PolarHBondContact OG-ND1 3.48Å; S18-H29 PolarHBondContact OG-O 3.47Å; S18-L33 VanDerWaalsContact OG-CG 3.24Å; S18-L33 WeakPolarHBondContact OG-CG 3.35Å
19T94.3Very high94.7Very high97 Ų9739.3 Ų39.360%0.59520%0.204SC*.Hα-helixtrans-65.9-38.5-176.3-58.70000111.5L15 I16 L17 H21 A22L15-T19 WeakPolarHBondContact O-CB 3.42Å; L15-T19 PolarHBondContact O-N 3.05Å; L15-T19 PolarHBondContact O-OG1 2.54Å; I16-T19 PolarHBondContact O-N 3.44Å; I16-T19 VanDerWaalsContact O-N 3.08Å; L17-T19 PolarHBondContact O-N 3.04Å; T19-H21 PolarHBondContact O-N 2.89Å; T19-A22 WeakPolarHBondContact O-CB 3.32Å; T19-A22 PolarHBondContact O-N 3.12Å
20E92.6Very high95Very high55 Ų5536.4 Ų36.426%0.25719%0.192SC..Hα-helixtrans-64-29.6176.1-72176.1174.500113.2I16 L17 S18 S206 Y210I16-E20 HydrophobicContact CG2-CG 4.49Å; I16-E20 WeakPolarHBondContact CG2-OE1 3.31Å; I16-E20 WeakPolarHBondContact O-CG 3.33Å; I16-E20 PolarHBondContact O-N 3.42Å; L17-E20 PolarHBondContact O-N 3.19Å; S18-E20 VanDerWaalsContact C-N 3.34Å; S18-E20 PolarHBondContact O-N 3Å; E20-S206 WeakPolarHBondContact OE1-CB 3.33Å; E20-S206 PolarHBondContact OE1-OG 3.44Å; E20-Y210 WeakPolarHBondContact OE1-CE2 3.41Å; E20-Y210 VanDerWaalsContact OE2-CE2 3.28Å; E20-Y210 WeakPolarHBondContact OE2-CE2 3.16Å; E20-Y210 PolarHBondContact OE2-OH 2.93Å
21H96.2Very high95.3Very high3 Ų334.3 Ų34.31%0.01418%0.175CC..Hα-helixtrans-94.9-10.3-179.6-6981.4000113.4L17 S18 T19 K23 R24 D25 V28 H29 Y87L17-H21 PolarHBondContact O-N 3.49Å; L17-H21 PolarHBondContact O-ND1 2.92Å; S18-H21 PolarHBondContact O-N 3.34Å; T19-H21 PolarHBondContact O-N 2.89Å; H21-K23 PolarHBondContact O-N 3.4Å; H21-R24 PolarHBondContact CD2-NH2 3.16Å; H21-R24 PolarHBondContact NE2-NH2 3.5Å; H21-R24 PolarHBondContact O-N 3.43Å; H21-D25 HydrophobicContact CB-CB 4.25Å; H21-D25 CarbonylContact O-C 3.44Å; H21-D25 PolarHBondContact O-N 3.27Å; H21-V28 HydrophobicContact CB-CB 3.87Å; H21-V28 HydrophobicContact CB-CG1 3.69Å; H21-H29 HydrophobicContact CB-CB 4.47Å; H21-Y87 AromaticContact CD2-CE1 3.88Å; H21-Y87 AromaticContact NE2-CE1 3.39Å; H21-Y87 WeakPolarHBondContact NE2-CE1 3.36Å; H21-Y87 AromaticContact NE2-CZ 3.6Å; H21-Y87 PolarHBondContact NE2-OH 3.03Å
22A93.2Very high95.5Very high38 Ų3833.6 Ų33.631%0.31417%0.171SC..THydrogen-bonded Turntrans-49.4-36.9-172.400000115.1S18 T19 H29S18-A22 PolarHBondContact O-N 3.22Å; T19-A22 WeakPolarHBondContact O-CB 3.32Å; T19-A22 PolarHBondContact O-N 3.12Å; A22-H29 WeakPolarHBondContact CA-ND1 3.27Å; A22-H29 WeakPolarHBondContact CB-ND1 3.48Å
23K91.9Very high95.7Very high214 Ų21432.5 Ų32.593%0.9316%0.163SC*.THydrogen-bonded Turntrans-97.6-19.7178.7-64.7-175.9-179.5179.60114.4H21H21-K23 PolarHBondContact O-N 3.4Å
24R92.9Very high95.9Very high96 Ų9633.1 Ų33.136%0.36217%0.166SC..THydrogen-bonded Turntrans-103-36.5-168.1-179.6174.566.9-152.21.7112.4H21 S200H21-R24 PolarHBondContact CD2-NH2 3.16Å; H21-R24 PolarHBondContact NE2-NH2 3.5Å; H21-R24 PolarHBondContact O-N 3.43Å; R24-S200 PolarHBondContact NH1-O 2.97Å
25D96.5Very high96Very high20 Ų2033 Ų3311%0.10717%0.166CC..  trans-146.190.9-173.5-168.2-34.7000109.2H21 C27 V28 H29 H83H21-D25 HydrophobicContact CB-CB 4.25Å; H21-D25 CarbonylContact O-C 3.44Å; H21-D25 PolarHBondContact O-N 3.27Å; D25-C27 PolarHBondContact O-N 3.5Å; D25-C27 WeakPolarHBondContact OD1-CB 3.37Å; D25-C27 PolarHBondContact OD1-N 2.87Å; D25-C27 VanDerWaalsContact OD1-N 3.12Å; D25-V28 HydrophobicContact CB-CB 4.1Å; D25-V28 HydrophobicContact CB-CG2 4.16Å; D25-V28 VanDerWaalsContact CG-CG2 3.42Å; D25-V28 PolarHBondContact O-N 3.41Å; D25-V28 PolarHBondContact OD1-N 2.95Å; D25-V28 VanDerWaalsContact OD2-CG2 3.3Å; D25-V28 WeakPolarHBondContact OD2-CG2 3.4Å; D25-H29 WeakPolarHBondContact O-CB 3.3Å; D25-H29 PolarHBondContact O-N 3.12Å; D25-H83 VanDerWaalsContact CG-NE2 3.34Å; D25-H83 IonicContact OD1-NE2 2.72Å; D25-H83 PolarHBondContact OD1-NE2 2.5Å; D25-H83 IonicContact OD2-CD2 3.25Å; D25-H83 IonicContact OD2-CE1 3.22Å; D25-H83 PolarHBondContact OD2-CE1 3.41Å; D25-H83 IonicContact OD2-NE2 3.91Å; D25-H83 PolarHBondContact OD2-NE2 3.12Å
26P96.6Very high96.1Very high39 Ų3931.6 Ų31.625%0.25316%0.159SC..Hα-helixtrans-57.8-30.6177.9-27.837.2000113.6F30 F64 I71 I74P26-F30 WeakPolarHBondContact O-CB 3.35Å; P26-F30 PolarHBondContact O-N 3.01Å; P26-F64 HydrophobicContact CB-CE1 4.17Å; P26-F64 HydrophobicContact CB-CZ 4.01Å; P26-I71 HydrophobicContact CB-CD1 3.97Å; P26-I71 HydrophobicContact CG-CD1 4.08Å; P26-I74 HydrophobicContact CB-CD1 3.85Å
27C97.1Very high96.3Very high3 Ų331.2 Ų31.22%0.0216%0.157CC..Hα-helixtrans-66.6-55.1177.7173.80000110.4D25 H29 F30 W31 E73 H83D25-C27 PolarHBondContact O-N 3.5Å; D25-C27 WeakPolarHBondContact OD1-CB 3.37Å; D25-C27 PolarHBondContact OD1-N 2.87Å; D25-C27 VanDerWaalsContact OD1-N 3.12Å; C27-H29 VanDerWaalsContact C-N 3.28Å; C27-H29 PolarHBondContact O-N 2.88Å; C27-F30 PolarHBondContact O-N 3.35Å; C27-W31 VanDerWaalsContact O-CD1 3.3Å; C27-W31 PolarHBondContact O-N 3.19Å; C27-W31 VanDerWaalsContact SG-CD1 3.58Å; C27-E73 HydrophobicContact CB-CB 3.67Å; C27-E73 PolarHBondContact SG-O 3.19Å; C27-E73 VanDerWaalsContact SG-O 3.37Å; C27-H83 PolarHBondContact SG-CD2 3.38Å
28V98Very high96.5Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-59.3-43177.9174.30000110.7L17 H21 D25 F30 S32 L84 Y87 L118L17-V28 HydrophobicContact CG-CG1 4.48Å; H21-V28 HydrophobicContact CB-CB 3.87Å; H21-V28 HydrophobicContact CB-CG1 3.69Å; D25-V28 HydrophobicContact CB-CB 4.1Å; D25-V28 HydrophobicContact CB-CG2 4.16Å; D25-V28 VanDerWaalsContact CG-CG2 3.42Å; D25-V28 PolarHBondContact O-N 3.41Å; D25-V28 PolarHBondContact OD1-N 2.95Å; D25-V28 VanDerWaalsContact OD2-CG2 3.3Å; D25-V28 WeakPolarHBondContact OD2-CG2 3.4Å; V28-F30 PolarHBondContact O-N 2.82Å; V28-S32 WeakPolarHBondContact O-CB 3.24Å; V28-S32 PolarHBondContact O-N 2.75Å; V28-S32 PolarHBondContact O-OG 3.01Å; V28-L84 HydrophobicContact CB-CD2 4.48Å; V28-L84 HydrophobicContact CG2-CD2 3.86Å; V28-Y87 HydrophobicContact CG2-CD1 3.65Å; V28-Y87 HydrophobicContact CG2-CE1 3.98Å; V28-L118 HydrophobicContact CG1-CD2 3.73Å; V28-L118 HydrophobicContact CG2-CD2 4.12Å
29H97.9Very high96.6Very high10 Ų1037.3 Ų37.35%0.04618%0.183CC..Hα-helixtrans-55.7-52.1176.7174.869000112.2S18 H21 A22 D25 C27 L33 Y60 F64S18-H29 PolarHBondContact O-ND1 2.9Å; S18-H29 PolarHBondContact OG-CE1 3.01Å; S18-H29 VanDerWaalsContact OG-CE1 3.25Å; S18-H29 PolarHBondContact OG-ND1 3.48Å; S18-H29 PolarHBondContact OG-O 3.47Å; H21-H29 HydrophobicContact CB-CB 4.47Å; A22-H29 WeakPolarHBondContact CA-ND1 3.27Å; A22-H29 WeakPolarHBondContact CB-ND1 3.48Å; D25-H29 WeakPolarHBondContact O-CB 3.3Å; D25-H29 PolarHBondContact O-N 3.12Å; C27-H29 VanDerWaalsContact C-N 3.28Å; C27-H29 PolarHBondContact O-N 2.88Å; H29-L33 PolarHBondContact O-N 3.28Å; H29-Y60 AromaticContact NE2-CE1 3.42Å; H29-Y60 WeakPolarHBondContact NE2-CE1 3.28Å; H29-Y60 AromaticContact NE2-CZ 3.54Å; H29-Y60 PolarHBondContact NE2-OH 3.47Å; H29-F64 AromaticContact CD2-CE1 3.97Å; H29-F64 AromaticContact CD2-CE2 3.64Å; H29-F64 AromaticContact CD2-CZ 3.53Å; H29-F64 AromaticContact NE2-CE2 4Å
30F98.4Very high96.7Very high10 Ų1032.7 Ų32.74%0.04415%0.154CC..Hα-helixtrans-65.4-53.2-176.6178.6-101.1000111.7P26 C27 V28 S32 L33 V34 L61 F64 K65 I74P26-F30 WeakPolarHBondContact O-CB 3.35Å; P26-F30 PolarHBondContact O-N 3.01Å; C27-F30 PolarHBondContact O-N 3.35Å; V28-F30 PolarHBondContact O-N 2.82Å; F30-S32 VanDerWaalsContact C-N 3.34Å; F30-S32 PolarHBondContact O-N 3.42Å; F30-L33 WeakPolarHBondContact O-CB 3.42Å; F30-L33 PolarHBondContact O-N 3.49Å; F30-L33 VanDerWaalsContact O-N 3.07Å; F30-V34 HydrophobicContact CD1-CG2 4.15Å; F30-V34 HydrophobicContact CE1-CG2 3.73Å; F30-V34 HydrophobicContact CE2-CG2 4.39Å; F30-V34 HydrophobicContact CZ-CG2 3.85Å; F30-V34 WeakPolarHBondContact O-CG2 3.47Å; F30-V34 PolarHBondContact O-N 2.8Å; F30-L61 HydrophobicContact CD2-CD2 3.57Å; F30-L61 HydrophobicContact CE2-CB 4.26Å; F30-L61 HydrophobicContact CE2-CD2 3.51Å; F30-L61 WeakPolarHBondContact CE2-O 3.29Å; F30-L61 HydrophobicContact CG-CD2 4.38Å; F30-L61 HydrophobicContact CZ-CD2 4.27Å; F30-F64 HydrophobicContact CB-CD1 4.14Å; F30-F64 HydrophobicContact CB-CE1 4.04Å; F30-F64 AromaticContact CD2-CD1 3.74Å; F30-F64 HydrophobicContact CD2-CD1 3.74Å; F30-F64 HydrophobicContact CD2-CE1 4.48Å; F30-F64 HydrophobicContact CG-CD1 4.32Å; F30-K65 HydrophobicContact CE2-CB 3.86Å; F30-K65 HydrophobicContact CZ-CB 4.1Å; F30-K65 HydrophobicContact CZ-CD 3.98Å; F30-K65 HydrophobicContact CZ-CG 4.4Å; F30-I74 HydrophobicContact CB-CD1 4.49Å; F30-I74 HydrophobicContact CB-CG1 4.29Å; F30-I74 HydrophobicContact CD1-CG1 4.45Å; F30-I74 HydrophobicContact CD1-CG2 4.12Å; F30-I74 HydrophobicContact CD2-CG2 4.49Å; F30-I74 HydrophobicContact CE1-CG2 4.22Å; F30-I74 HydrophobicContact CG-CG1 4.42Å; F30-I74 HydrophobicContact CG-CG2 4.27Å; F30-I74 HydrophobicContact CZ-CG2 4.46Å
31W98.4Very high96.9Very high15 Ų1533.1 Ų33.16%0.05716%0.158CC..Hα-helixtrans-70.5-28.3-176.1-72.6105.5000113.5C27 L33 V34 Y35 E73 E77 A80 L84 I121 F125C27-W31 VanDerWaalsContact O-CD1 3.3Å; C27-W31 PolarHBondContact O-N 3.19Å; C27-W31 VanDerWaalsContact SG-CD1 3.58Å; W31-L33 VanDerWaalsContact C-N 3.28Å; W31-L33 PolarHBondContact O-N 3.35Å; W31-V34 HydrophobicContact CE3-CB 4.05Å; W31-V34 HydrophobicContact CE3-CG1 4.01Å; W31-V34 HydrophobicContact CE3-CG2 4.25Å; W31-V34 HydrophobicContact CZ3-CG1 4.04Å; W31-V34 PolarHBondContact O-N 2.9Å; W31-Y35 WeakPolarHBondContact O-CB 3.37Å; W31-Y35 PolarHBondContact O-N 2.83Å; W31-E73 PolarHBondContact NE1-O 3.38Å; W31-E77 HydrophobicContact CH2-CG 4.09Å; W31-E77 HydrophobicContact CZ2-CG 4.48Å; W31-A80 HydrophobicContact CD2-CB 4.43Å; W31-A80 HydrophobicContact CZ2-CB 3.81Å; W31-L84 HydrophobicContact CB-CD1 3.83Å; W31-L84 HydrophobicContact CG-CD1 3.99Å; W31-I121 HydrophobicContact CB-CG2 3.96Å; W31-F125 HydrophobicContact CD2-CE1 4.14Å; W31-F125 AromaticContact CD2-CZ 3.59Å; W31-F125 HydrophobicContact CD2-CZ 3.59Å; W31-F125 AromaticContact CE2-CZ 3.76Å; W31-F125 AromaticContact CE3-CE1 3.92Å; W31-F125 HydrophobicContact CE3-CE1 3.92Å; W31-F125 AromaticContact CE3-CZ 3.59Å; W31-F125 HydrophobicContact CE3-CZ 3.59Å; W31-F125 HydrophobicContact CG-CZ 4.19Å; W31-F125 AromaticContact CH2-CE1 3.47Å; W31-F125 HydrophobicContact CH2-CE1 3.47Å; W31-F125 VanDerWaalsContact CH2-CE1 3.47Å; W31-F125 AromaticContact CH2-CZ 3.97Å; W31-F125 HydrophobicContact CH2-CZ 3.97Å; W31-F125 AromaticContact CZ2-CE1 3.7Å; W31-F125 HydrophobicContact CZ2-CE1 3.7Å; W31-F125 AromaticContact CZ2-CZ 3.95Å; W31-F125 HydrophobicContact CZ2-CZ 3.95Å; W31-F125 AromaticContact CZ3-CE1 3.58Å; W31-F125 HydrophobicContact CZ3-CE1 3.58Å; W31-F125 AromaticContact CZ3-CZ 3.78Å; W31-F125 HydrophobicContact CZ3-CZ 3.78Å
32S98.1Very high96.9Very high0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-60.9-38.6169.3-61.80000112V28 F30 F36 I121V28-S32 WeakPolarHBondContact O-CB 3.24Å; V28-S32 PolarHBondContact O-N 2.75Å; V28-S32 PolarHBondContact O-OG 3.01Å; F30-S32 VanDerWaalsContact C-N 3.34Å; F30-S32 PolarHBondContact O-N 3.42Å; S32-F36 WeakPolarHBondContact O-CB 3.36Å; S32-F36 PolarHBondContact O-N 2.77Å; S32-I121 VanDerWaalsContact OG-CD1 3.22Å; S32-I121 WeakPolarHBondContact OG-CD1 3.42Å
33L97.8Very high97.1Very high8 Ų840.9 Ų40.94%0.04219%0.189CC..Hα-helixtrans-74.3-39.1176.6-70.3174.3000112.2L15 S18 H29 F30 W31 Y35 F36 V37 Y60 L61L15-L33 HydrophobicContact CD2-CD2 3.63Å; S18-L33 VanDerWaalsContact OG-CG 3.24Å; S18-L33 WeakPolarHBondContact OG-CG 3.35Å; H29-L33 PolarHBondContact O-N 3.28Å; F30-L33 WeakPolarHBondContact O-CB 3.42Å; F30-L33 PolarHBondContact O-N 3.49Å; F30-L33 VanDerWaalsContact O-N 3.07Å; W31-L33 VanDerWaalsContact C-N 3.28Å; W31-L33 PolarHBondContact O-N 3.35Å; L33-Y35 VanDerWaalsContact C-N 3.35Å; L33-F36 PolarHBondContact O-N 2.97Å; L33-V37 WeakPolarHBondContact O-CG2 3.14Å; L33-V37 PolarHBondContact O-N 3.48Å; L33-Y60 HydrophobicContact CD1-CD1 3.8Å; L33-Y60 HydrophobicContact CD1-CE1 3.5Å; L33-Y60 VanDerWaalsContact CD1-CE1 3.5Å; L33-L61 HydrophobicContact CB-CD1 4.4Å; L33-L61 HydrophobicContact CB-CD2 3.66Å; L33-L61 HydrophobicContact CB-CG 4.23Å; L33-L61 HydrophobicContact CD1-CD2 4.41Å
34V98.3Very high97.3Very high23 Ų2331.7 Ų31.714%0.13915%0.15CC..Hα-helixtrans-57.8-50.5173.4173.40000110F30 W31 F36 V37 Q38 L61F30-V34 HydrophobicContact CD1-CG2 4.15Å; F30-V34 HydrophobicContact CE1-CG2 3.73Å; F30-V34 HydrophobicContact CE2-CG2 4.39Å; F30-V34 HydrophobicContact CZ-CG2 3.85Å; F30-V34 WeakPolarHBondContact O-CG2 3.47Å; F30-V34 PolarHBondContact O-N 2.8Å; W31-V34 HydrophobicContact CE3-CB 4.05Å; W31-V34 HydrophobicContact CE3-CG1 4.01Å; W31-V34 HydrophobicContact CE3-CG2 4.25Å; W31-V34 HydrophobicContact CZ3-CG1 4.04Å; W31-V34 PolarHBondContact O-N 2.9Å; V34-F36 PolarHBondContact O-N 3.17Å; V34-V37 PolarHBondContact O-N 3.38Å; V34-Q38 WeakPolarHBondContact O-CG 3.23Å; V34-Q38 PolarHBondContact O-N 3.39Å; V34-L61 HydrophobicContact CG2-CD1 4.21Å; V34-L61 HydrophobicContact CG2-CD2 3.83Å
35Y98.4Very high97.3Very high17 Ų1734 Ų347%0.06716%0.163CC..Hα-helixtrans-59.3-46.1177.1-178-90.5000112.1Y14 W31 L33 V37 Q38 R39 D120 I121 T123 T124Y14-Y35 AromaticContact CD1-CD1 3.67Å; Y14-Y35 HydrophobicContact CD1-CD1 3.67Å; Y14-Y35 AromaticContact CD1-CE1 3.9Å; Y14-Y35 HydrophobicContact CD1-CE1 3.9Å; Y14-Y35 HydrophobicContact CD2-CD1 4.13Å; Y14-Y35 HydrophobicContact CD2-CE1 4.04Å; Y14-Y35 AromaticContact CE1-CD1 3.71Å; Y14-Y35 HydrophobicContact CE1-CD1 3.71Å; Y14-Y35 AromaticContact CE1-CE1 3.45Å; Y14-Y35 HydrophobicContact CE1-CE1 3.45Å; Y14-Y35 VanDerWaalsContact CE1-CE1 3.45Å; Y14-Y35 HydrophobicContact CE2-CD1 4.18Å; Y14-Y35 AromaticContact CE2-CE1 3.62Å; Y14-Y35 HydrophobicContact CE2-CE1 3.62Å; Y14-Y35 AromaticContact CG-CD1 3.89Å; Y14-Y35 HydrophobicContact CG-CD1 3.89Å; Y14-Y35 HydrophobicContact CG-CE1 4.18Å; Y14-Y35 AromaticContact CZ-CD1 3.98Å; Y14-Y35 AromaticContact CZ-CE1 3.3Å; W31-Y35 WeakPolarHBondContact O-CB 3.37Å; W31-Y35 PolarHBondContact O-N 2.83Å; L33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-V37 VanDerWaalsContact C-N 3.33Å; Y35-V37 PolarHBondContact O-N 3.44Å; Y35-Q38 PolarHBondContact O-N 2.82Å; Y35-R39 HydrophobicContact CD1-CG 4.06Å; Y35-R39 HydrophobicContact CE1-CG 3.52Å; Y35-R39 HydrophobicContact CE2-CG 4.18Å; Y35-R39 WeakPolarHBondContact O-CG 3.47Å; Y35-R39 PolarHBondContact O-N 3.5Å; Y35-D120 WeakPolarHBondContact CE2-O 3.38Å; Y35-I121 HydrophobicContact CD1-CG1 4.19Å; Y35-I121 HydrophobicContact CD2-CG1 4.45Å; Y35-I121 HydrophobicContact CG-CB 4.43Å; Y35-I121 HydrophobicContact CG-CG1 3.89Å; Y35-T123 WeakPolarHBondContact CE2-OG1 3.39Å; Y35-T124 HydrophobicContact CD2-CG2 3.67Å; Y35-T124 HydrophobicContact CG-CG2 4.27Å
36F98Very high97.2Very high0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-54.3-49.3175172-84.5000111.3I4 Y8 L11 L15 S32 L33 V34 R39 A40 F53I4-F36 HydrophobicContact CD1-CE2 4.27Å; Y8-F36 HydrophobicContact CD2-CZ 4.17Å; Y8-F36 HydrophobicContact CG-CZ 4.33Å; L11-F36 HydrophobicContact CB-CD2 3.54Å; L11-F36 HydrophobicContact CB-CE2 3.48Å; L11-F36 VanDerWaalsContact CB-CE2 3.48Å; L11-F36 HydrophobicContact CD1-CD2 4.32Å; L11-F36 HydrophobicContact CD1-CE2 4.28Å; L11-F36 WeakPolarHBondContact O-CD2 3.4Å; L15-F36 HydrophobicContact CD1-CD2 4.22Å; L15-F36 HydrophobicContact CD1-CE2 3.67Å; L15-F36 HydrophobicContact CD1-CZ 3.94Å; L15-F36 HydrophobicContact CD2-CB 4.32Å; L15-F36 HydrophobicContact CD2-CD1 3.91Å; L15-F36 HydrophobicContact CD2-CD2 3.61Å; L15-F36 HydrophobicContact CD2-CE1 4.18Å; L15-F36 HydrophobicContact CD2-CE2 3.86Å; L15-F36 HydrophobicContact CD2-CG 3.66Å; L15-F36 HydrophobicContact CD2-CZ 4.15Å; L15-F36 HydrophobicContact CG-CD2 3.58Å; L15-F36 HydrophobicContact CG-CE2 3.56Å; L15-F36 HydrophobicContact CG-CG 4.17Å; L15-F36 HydrophobicContact CG-CZ 4.16Å; S32-F36 WeakPolarHBondContact O-CB 3.36Å; S32-F36 PolarHBondContact O-N 2.77Å; L33-F36 PolarHBondContact O-N 2.97Å; V34-F36 PolarHBondContact O-N 3.17Å; F36-R39 PolarHBondContact O-N 2.93Å; F36-A40 HydrophobicContact CD1-CB 4.42Å; F36-A40 HydrophobicContact CE1-CB 4.05Å; F36-A40 HydrophobicContact CZ-CB 4.37Å; F36-A40 WeakPolarHBondContact O-CB 3.27Å; F36-A40 PolarHBondContact O-N 3.28Å; F36-F53 HydrophobicContact CE1-CD1 4.3Å; F36-F53 AromaticContact CE1-CE1 3.67Å; F36-F53 HydrophobicContact CE1-CE1 3.67Å; F36-F53 AromaticContact CZ-CE1 3.73Å; F36-F53 HydrophobicContact CZ-CE1 3.73Å
37V98.1Very high97.1Very high6 Ų636.9 Ų36.94%0.03619%0.191CC..Hα-helixtrans-63.8-43.9-178.31670000111.1L33 V34 Y35 R39 A40 I41 L54 K57 L58 L61L33-V37 WeakPolarHBondContact O-CG2 3.14Å; L33-V37 PolarHBondContact O-N 3.48Å; V34-V37 PolarHBondContact O-N 3.38Å; Y35-V37 VanDerWaalsContact C-N 3.33Å; Y35-V37 PolarHBondContact O-N 3.44Å; V37-R39 PolarHBondContact O-N 3.27Å; V37-A40 PolarHBondContact O-N 3.38Å; V37-I41 HydrophobicContact CG1-CD1 3.72Å; V37-I41 HydrophobicContact CG1-CG1 4.36Å; V37-I41 WeakPolarHBondContact O-CB 3.36Å; V37-I41 VanDerWaalsContact O-CG1 3.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.47Å; V37-I41 PolarHBondContact O-N 3.16Å; V37-L54 HydrophobicContact CG1-CD2 4.24Å; V37-L54 HydrophobicContact CG2-CD2 4.46Å; V37-K57 HydrophobicContact CG2-CB 3.83Å; V37-L58 HydrophobicContact CG1-CD2 3.77Å; V37-L58 HydrophobicContact CG1-CG 4.11Å; V37-L61 HydrophobicContact CB-CD1 4.49Å; V37-L61 HydrophobicContact CG2-CD1 3.96Å
38Q97.6Very high96.9Very high71 Ų7142.1 Ų42.133%0.33223%0.225SC..Hα-helixtrans-57.6-50.1176.8-72.9177.8-5.100111.6V34 Y35 A40 I41 E42V34-Q38 WeakPolarHBondContact O-CG 3.23Å; V34-Q38 PolarHBondContact O-N 3.39Å; Y35-Q38 PolarHBondContact O-N 2.82Å; Q38-A40 PolarHBondContact O-N 3.38Å; Q38-I41 PolarHBondContact O-N 3.46Å; Q38-E42 PolarHBondContact O-N 3.31Å
39R97.8Very high96.8Very high59 Ų5947.5 Ų47.522%0.22325%0.25CC..Hα-helixtrans-66.8-36.4177.5-65.7-65.592.992.6-3112.6L11 Y35 F36 V37 E42 I43L11-R39 HydrophobicContact CD1-CB 3.72Å; L11-R39 HydrophobicContact CD2-CB 3.72Å; L11-R39 HydrophobicContact CD2-CG 4.38Å; L11-R39 HydrophobicContact CG-CB 4.39Å; Y35-R39 HydrophobicContact CD1-CG 4.06Å; Y35-R39 HydrophobicContact CE1-CG 3.52Å; Y35-R39 HydrophobicContact CE2-CG 4.18Å; Y35-R39 WeakPolarHBondContact O-CG 3.47Å; Y35-R39 PolarHBondContact O-N 3.5Å; F36-R39 PolarHBondContact O-N 2.93Å; V37-R39 PolarHBondContact O-N 3.27Å; R39-E42 IonicContact CZ-OE1 3.61Å; R39-E42 IonicContact CZ-OE2 2.74Å; R39-E42 IonicContact NE-OE1 2.79Å; R39-E42 PolarHBondContact NE-OE1 3.4Å; R39-E42 IonicContact NE-OE2 3.45Å; R39-E42 PolarHBondContact NE-OE2 3.41Å; R39-E42 IonicContact NH2-OE1 3.65Å; R39-E42 PolarHBondContact NH2-OE1 3.36Å; R39-E42 IonicContact NH2-OE2 3.4Å; R39-E42 WeakPolarHBondContact O-CB 3.48Å; R39-E42 PolarHBondContact O-N 2.82Å; R39-I43 WeakPolarHBondContact O-CG1 3.46Å; R39-I43 PolarHBondContact O-N 3.48Å
40A97.5Very high96.6Very high0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-67.7-37.5179.300000111.9Y8 L11 F36 V37 Q38 E42 I43 D44 L54Y8-A40 HydrophobicContact CD1-CB 3.89Å; Y8-A40 HydrophobicContact CD2-CB 4.37Å; Y8-A40 HydrophobicContact CE1-CB 3.68Å; Y8-A40 VanDerWaalsContact CE1-O 3.27Å; Y8-A40 WeakPolarHBondContact CE1-O 3.47Å; Y8-A40 HydrophobicContact CE2-CB 4.18Å; Y8-A40 HydrophobicContact CG-CB 4.23Å; L11-A40 HydrophobicContact CD1-CB 3.78Å; F36-A40 HydrophobicContact CD1-CB 4.42Å; F36-A40 HydrophobicContact CE1-CB 4.05Å; F36-A40 HydrophobicContact CZ-CB 4.37Å; F36-A40 WeakPolarHBondContact O-CB 3.27Å; F36-A40 PolarHBondContact O-N 3.28Å; V37-A40 PolarHBondContact O-N 3.38Å; Q38-A40 PolarHBondContact O-N 3.38Å; A40-E42 VanDerWaalsContact C-N 3.28Å; A40-E42 PolarHBondContact O-N 3.34Å; A40-I43 PolarHBondContact O-N 3.49Å; A40-D44 PolarHBondContact O-N 2.73Å; A40-L54 HydrophobicContact CB-CD2 3.72Å
41I97.2Very high96.5Very high64 Ų6448.7 Ų48.733%0.32826%0.263SS..Hα-helixtrans-61.3-36.9173.6-72.4167000111.5V37 Q38 K45 L54V37-I41 HydrophobicContact CG1-CD1 3.72Å; V37-I41 HydrophobicContact CG1-CG1 4.36Å; V37-I41 WeakPolarHBondContact O-CB 3.36Å; V37-I41 VanDerWaalsContact O-CG1 3.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.47Å; V37-I41 PolarHBondContact O-N 3.16Å; Q38-I41 PolarHBondContact O-N 3.46Å; I41-K45 HydrophobicContact CG2-CB 4.47Å; I41-K45 HydrophobicContact CG2-CD 3.85Å; I41-L54 HydrophobicContact CG1-CD1 3.82Å; I41-L54 HydrophobicContact CG1-CD2 4.24Å
42E96.4Very high96.4Very high128 Ų12851.2 Ų51.260%0.59829%0.287SS*.Hα-helixtrans-69.1-33.1176.1-67.9166-172.500112.4Q38 R39 A40Q38-E42 PolarHBondContact O-N 3.31Å; R39-E42 IonicContact CZ-OE1 3.61Å; R39-E42 IonicContact CZ-OE2 2.74Å; R39-E42 IonicContact NE-OE1 2.79Å; R39-E42 PolarHBondContact NE-OE1 3.4Å; R39-E42 IonicContact NE-OE2 3.45Å; R39-E42 PolarHBondContact NE-OE2 3.41Å; R39-E42 IonicContact NH2-OE1 3.65Å; R39-E42 PolarHBondContact NH2-OE1 3.36Å; R39-E42 IonicContact NH2-OE2 3.4Å; R39-E42 WeakPolarHBondContact O-CB 3.48Å; R39-E42 PolarHBondContact O-N 2.82Å; A40-E42 VanDerWaalsContact C-N 3.28Å; A40-E42 PolarHBondContact O-N 3.34Å
43I96.1Very high96.3Very high76 Ų7651.5 Ų51.539%0.3929%0.289SS..Hα-helixtrans-73.6-55.3178.1-67.3171.9000111.2K7 Y8 L11 R39 A40K7-I43 HydrophobicContact CB-CG2 4.07Å; Y8-I43 HydrophobicContact CD1-CB 4.39Å; Y8-I43 HydrophobicContact CD1-CG2 4.25Å; Y8-I43 HydrophobicContact CE1-CB 4.3Å; Y8-I43 HydrophobicContact CE1-CG2 4.33Å; L11-I43 HydrophobicContact CD1-CD1 3.64Å; L11-I43 HydrophobicContact CD2-CD1 4.39Å; L11-I43 HydrophobicContact CG-CD1 3.86Å; R39-I43 WeakPolarHBondContact O-CG1 3.46Å; R39-I43 PolarHBondContact O-N 3.48Å; A40-I43 PolarHBondContact O-N 3.49Å
44D95.8Very high96.2Very high21 Ų2151.6 Ų51.611%0.11229%0.289CS..  trans-164.2125.4179.7-170.5-17.9000110.3K7 Y8 A40 A46 S47 C50K7-D44 HydrophobicContact CD-CB 3.89Å; K7-D44 WeakPolarHBondContact CD-OD2 3.39Å; K7-D44 WeakPolarHBondContact CE-OD2 3.42Å; K7-D44 IonicContact NZ-OD2 3.68Å; K7-D44 PolarHBondContact NZ-OD2 3.17Å; Y8-D44 HydrophobicContact CE1-CB 4.47Å; Y8-D44 PolarHBondContact OH-O 3.12Å; A40-D44 PolarHBondContact O-N 2.73Å; D44-A46 PolarHBondContact OD1-N 2.99Å; D44-S47 PolarHBondContact OD1-N 3.45Å; D44-S47 VanDerWaalsContact OD2-CB 3.3Å; D44-S47 WeakPolarHBondContact OD2-CB 3.4Å; D44-S47 PolarHBondContact OD2-OG 3.03Å; D44-C50 HydrophobicContact CB-CB 4.43Å
45K94Very high96.1Very high144 Ų14452.3 Ų52.363%0.62630%0.301SS*.SBendtrans-122.50.6172.969.3-170.8-176.4-1770113.5I41 L54I41-K45 HydrophobicContact CG2-CB 4.47Å; I41-K45 HydrophobicContact CG2-CD 3.85Å; K45-L54 HydrophobicContact CB-CD1 4.24Å
46A93Very high96Very high86 Ų8655.6 Ų55.671%0.71132%0.317SS*.SBendtrans-101.7-34.4-171.700000112.3D44D44-A46 PolarHBondContact OD1-N 2.99Å
47S95.1Very high95.9Very high34 Ų3457.7 Ų57.724%0.23833%0.326CS..SBendtrans-61.1134.1178.3-63.70000110.5K7 D44 E49 C50 A51K7-S47 PolarHBondContact NZ-OG 3.48Å; D44-S47 PolarHBondContact OD1-N 3.45Å; D44-S47 VanDerWaalsContact OD2-CB 3.3Å; D44-S47 WeakPolarHBondContact OD2-CB 3.4Å; D44-S47 PolarHBondContact OD2-OG 3.03Å; S47-E49 VanDerWaalsContact C-N 3.3Å; S47-E49 PolarHBondContact O-N 2.89Å; S47-C50 WeakPolarHBondContact O-CB 3.4Å; S47-C50 PolarHBondContact O-N 3.3Å; S47-A51 PolarHBondContact O-N 3.44Å
48P94.1Very high95.8Very high113 Ų11360.9 Ų60.973%0.73434%0.343SS*.Hα-helixtrans-55.2-40.8-175.6-28.734.7000114.3A52P48-A52 VanDerWaalsContact O-CB 3.31Å; P48-A52 WeakPolarHBondContact O-CB 3.47Å; P48-A52 PolarHBondContact O-N 2.87Å
49E94.4Very high95.9Very high112 Ų11263.6 Ų63.652%0.52335%0.353SS..Hα-helixtrans-64.5-44.6177-170.7-166.9169.700112P5 S47 A52 F53P5-E49 WeakPolarHBondContact CA-OE1 3.41Å; P5-E49 HydrophobicContact CB-CG 4.34Å; P5-E49 HydrophobicContact CG-CG 4.11Å; S47-E49 VanDerWaalsContact C-N 3.3Å; S47-E49 PolarHBondContact O-N 2.89Å; E49-A52 PolarHBondContact O-N 2.95Å; E49-F53 WeakPolarHBondContact O-CB 3.18Å; E49-F53 PolarHBondContact O-N 3.29Å
50C95.2Very high95.8Very high3 Ų365 Ų652%0.0236%0.359CS..Hα-helixtrans-64.2-47.4178-72.70000111.1Y8 D44 S47 A52 F53 L54Y8-C50 HydrophobicContact CE2-CB 4.13Å; Y8-C50 VanDerWaalsContact OH-CB 3.24Å; Y8-C50 WeakPolarHBondContact OH-CB 3.47Å; D44-C50 HydrophobicContact CB-CB 4.43Å; S47-C50 WeakPolarHBondContact O-CB 3.4Å; S47-C50 PolarHBondContact O-N 3.3Å; C50-A52 PolarHBondContact O-N 3.29Å; C50-F53 PolarHBondContact O-N 3.5Å; C50-L54 WeakPolarHBondContact O-CB 3.17Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.31Å; C50-L54 PolarHBondContact O-N 3.02Å
51A95.2Very high95.8Very high43 Ų4365.7 Ų65.736%0.35536%0.363SS..Hα-helixtrans-61.9-42.2177.300000112.2S47 G55S47-A51 PolarHBondContact O-N 3.44Å; A51-G55 PolarHBondContact O-N 3.48Å
52A95.4Very high95.8Very high67 Ų6769.2 Ų69.255%0.55438%0.378SS*.Hα-helixtrans-63.5-45.617600000111.9P48 E49 C50 G55 E56P48-A52 VanDerWaalsContact O-CB 3.31Å; P48-A52 WeakPolarHBondContact O-CB 3.47Å; P48-A52 PolarHBondContact O-N 2.87Å; E49-A52 PolarHBondContact O-N 2.95Å; C50-A52 PolarHBondContact O-N 3.29Å; A52-G55 PolarHBondContact O-N 3.44Å; A52-E56 PolarHBondContact O-N 3.38Å
53F96Very high95.9Very high7 Ų767.3 Ų67.33%0.03137%0.369CS..Hα-helixtrans-63.2-44.8177.8-171-88.9000112T2 P5 Y8 L15 F36 E49 C50 E56 K57T2-F53 HydrophobicContact CG2-CD2 4.2Å; P5-F53 HydrophobicContact CG-CB 3.83Å; P5-F53 HydrophobicContact CG-CD2 4.23Å; P5-F53 HydrophobicContact CG-CG 3.96Å; Y8-F53 HydrophobicContact CD2-CD1 4.08Å; Y8-F53 HydrophobicContact CE2-CD1 4.14Å; L15-F53 HydrophobicContact CD1-CZ 4.26Å; F36-F53 HydrophobicContact CE1-CD1 4.3Å; F36-F53 AromaticContact CE1-CE1 3.67Å; F36-F53 HydrophobicContact CE1-CE1 3.67Å; F36-F53 AromaticContact CZ-CE1 3.73Å; F36-F53 HydrophobicContact CZ-CE1 3.73Å; E49-F53 WeakPolarHBondContact O-CB 3.18Å; E49-F53 PolarHBondContact O-N 3.29Å; C50-F53 PolarHBondContact O-N 3.5Å; F53-E56 PolarHBondContact O-N 2.65Å; F53-K57 HydrophobicContact CD1-CG 4.12Å; F53-K57 HydrophobicContact CE1-CD 4.43Å; F53-K57 HydrophobicContact CE1-CG 3.82Å; F53-K57 VanDerWaalsContact CZ-CE 3.49Å; F53-K57 HydrophobicContact CZ-CG 4.44Å; F53-K57 WeakPolarHBondContact O-CG 3.48Å; F53-K57 PolarHBondContact O-N 2.85Å; F53-K57 VanDerWaalsContact O-N 3.08Å
54L96.6Very high96Very high9 Ų964.8 Ų64.85%0.04736%0.355CS..Hα-helixtrans-61.2-43.1175.2-74.2175.7000111.8Y8 V37 A40 I41 K45 C50 E56 K57 L58Y8-L54 HydrophobicContact CE2-CD2 4.46Å; Y8-L54 HydrophobicContact CE2-CG 4.26Å; Y8-L54 WeakPolarHBondContact OH-CD1 3.36Å; Y8-L54 WeakPolarHBondContact OH-CG 3.31Å; V37-L54 HydrophobicContact CG1-CD2 4.24Å; V37-L54 HydrophobicContact CG2-CD2 4.46Å; A40-L54 HydrophobicContact CB-CD2 3.72Å; I41-L54 HydrophobicContact CG1-CD1 3.82Å; I41-L54 HydrophobicContact CG1-CD2 4.24Å; K45-L54 HydrophobicContact CB-CD1 4.24Å; C50-L54 WeakPolarHBondContact O-CB 3.17Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.31Å; C50-L54 PolarHBondContact O-N 3.02Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.4Å; L54-K57 PolarHBondContact O-N 3.44Å; L54-L58 WeakPolarHBondContact O-CB 3.4Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 3.04Å
55G95.9Very high96Very high38 Ų3867.9 Ų67.939%0.39237%0.367SS..Hα-helixtrans-59.2-42.3176.800000112.6A51 A52 K59A51-G55 PolarHBondContact O-N 3.48Å; A52-G55 PolarHBondContact O-N 3.44Å; G55-K59 WeakPolarHBondContact O-CB 3.37Å; G55-K59 PolarHBondContact O-N 3.46Å
56E96Very high96.2Very high87 Ų8763.1 Ų63.141%0.40736%0.355SS..Hα-helixtrans-61.1-46.2173.7-171.2-167.3139.400111.6T2 A52 F53 L54 Y60T2-E56 WeakPolarHBondContact CB-OE2 3.49Å; T2-E56 PolarHBondContact OG1-OE2 3.1Å; A52-E56 PolarHBondContact O-N 3.38Å; F53-E56 PolarHBondContact O-N 2.65Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.4Å; E56-Y60 WeakPolarHBondContact O-CB 3.28Å; E56-Y60 PolarHBondContact O-N 3.42Å
57K96.1Very high96.4Very high44 Ų4465.3 Ų65.319%0.19135%0.351CS..Hα-helixtrans-68-39.9-179.9-65.7-53.5-179-166.50113.2V37 F53 L54 Y60 L61V37-K57 HydrophobicContact CG2-CB 3.83Å; F53-K57 HydrophobicContact CD1-CG 4.12Å; F53-K57 HydrophobicContact CE1-CD 4.43Å; F53-K57 HydrophobicContact CE1-CG 3.82Å; F53-K57 VanDerWaalsContact CZ-CE 3.49Å; F53-K57 HydrophobicContact CZ-CG 4.44Å; F53-K57 WeakPolarHBondContact O-CG 3.48Å; F53-K57 PolarHBondContact O-N 2.85Å; F53-K57 VanDerWaalsContact O-N 3.08Å; L54-K57 PolarHBondContact O-N 3.44Å; K57-Y60 PolarHBondContact O-N 3.28Å; K57-L61 WeakPolarHBondContact O-CB 3.47Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 3.33Å
58L97.2Very high96.4Very high73 Ų7365 Ų6538%0.38235%0.346SS..Hα-helixtrans-63.4-47.3176.4-77.4167.5000111.2V37 L54 Y60 L61 E62V37-L58 HydrophobicContact CG1-CD2 3.77Å; V37-L58 HydrophobicContact CG1-CG 4.11Å; L54-L58 WeakPolarHBondContact O-CB 3.4Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 3.04Å; L58-Y60 VanDerWaalsContact C-N 3.32Å; L58-Y60 PolarHBondContact O-N 3.03Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-L61 VanDerWaalsContact O-N 3.17Å; L58-E62 WeakPolarHBondContact O-CG 3.19Å; L58-E62 PolarHBondContact O-N 2.99Å
59K97.9Very high96.5Very high127 Ų12768.3 Ų68.355%0.55234%0.344SS*.Hα-helixtrans-57.9-45.4174.9-178.6177.5173.4-179.50111.7G55 L61 E62 E63G55-K59 WeakPolarHBondContact O-CB 3.37Å; G55-K59 PolarHBondContact O-N 3.46Å; K59-L61 PolarHBondContact O-N 2.62Å; K59-E62 PolarHBondContact O-N 2.93Å; K59-E63 WeakPolarHBondContact CE-OE1 3.35Å; K59-E63 IonicContact NZ-OE1 3.98Å; K59-E63 WeakPolarHBondContact O-CG 3.28Å; K59-E63 PolarHBondContact O-N 3.43Å
60Y97.4Very high96.5Very high89 Ų8969.6 Ų69.635%0.34935%0.35SS..Hα-helixtrans-60.8-43.6176.1175.5-94.7000112.4H29 L33 E56 K57 L58 E62 E63 F64H29-Y60 AromaticContact NE2-CE1 3.42Å; H29-Y60 WeakPolarHBondContact NE2-CE1 3.28Å; H29-Y60 AromaticContact NE2-CZ 3.54Å; H29-Y60 PolarHBondContact NE2-OH 3.47Å; L33-Y60 HydrophobicContact CD1-CD1 3.8Å; L33-Y60 HydrophobicContact CD1-CE1 3.5Å; L33-Y60 VanDerWaalsContact CD1-CE1 3.5Å; E56-Y60 WeakPolarHBondContact O-CB 3.28Å; E56-Y60 PolarHBondContact O-N 3.42Å; K57-Y60 PolarHBondContact O-N 3.28Å; L58-Y60 VanDerWaalsContact C-N 3.32Å; L58-Y60 PolarHBondContact O-N 3.03Å; Y60-E62 PolarHBondContact O-N 3.09Å; Y60-E63 PolarHBondContact O-N 3.42Å; Y60-F64 HydrophobicContact CE1-CB 4.33Å; Y60-F64 HydrophobicContact CE1-CD2 4.27Å; Y60-F64 HydrophobicContact CE1-CG 4.48Å; Y60-F64 AromaticContact CZ-CD2 3.88Å; Y60-F64 VanDerWaalsContact O-CB 3.24Å; Y60-F64 WeakPolarHBondContact O-CB 3.49Å; Y60-F64 PolarHBondContact O-N 3.05Å; Y60-F64 WeakPolarHBondContact OH-CD2 3.3Å
61L97.4Very high96.6Very high15 Ų1571.2 Ų71.28%0.07936%0.358CS..Hα-helixtrans-60.6-44.3177.2-80168.9000111.8F30 L33 V34 V37 K57 L58 K59 F64 K65F30-L61 HydrophobicContact CD2-CD2 3.57Å; F30-L61 HydrophobicContact CE2-CB 4.26Å; F30-L61 HydrophobicContact CE2-CD2 3.51Å; F30-L61 WeakPolarHBondContact CE2-O 3.29Å; F30-L61 HydrophobicContact CG-CD2 4.38Å; F30-L61 HydrophobicContact CZ-CD2 4.27Å; L33-L61 HydrophobicContact CB-CD1 4.4Å; L33-L61 HydrophobicContact CB-CD2 3.66Å; L33-L61 HydrophobicContact CB-CG 4.23Å; L33-L61 HydrophobicContact CD1-CD2 4.41Å; V34-L61 HydrophobicContact CG2-CD1 4.21Å; V34-L61 HydrophobicContact CG2-CD2 3.83Å; V37-L61 HydrophobicContact CB-CD1 4.49Å; V37-L61 HydrophobicContact CG2-CD1 3.96Å; K57-L61 WeakPolarHBondContact O-CB 3.47Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 3.33Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-L61 VanDerWaalsContact O-N 3.17Å; K59-L61 PolarHBondContact O-N 2.62Å; L61-F64 PolarHBondContact O-N 2.91Å; L61-K65 WeakPolarHBondContact O-CB 3.45Å; L61-K65 PolarHBondContact O-N 3.3Å
62E97.2Very high96.6Very high137 Ų13775.1 Ų75.164%0.6436%0.364SS*.Hα-helixtrans-61.8-46.6177.1-71.2172.8-175.600111.7L58 K59 Y60 A66L58-E62 WeakPolarHBondContact O-CG 3.19Å; L58-E62 PolarHBondContact O-N 2.99Å; K59-E62 PolarHBondContact O-N 2.93Å; Y60-E62 PolarHBondContact O-N 3.09Å; E62-A66 WeakPolarHBondContact O-CB 3.43Å; E62-A66 PolarHBondContact O-N 3.43Å
63E98Very high96.7Very high89 Ų8975 Ų7542%0.41635%0.352SS..Hα-helixtrans-62.9-45176.4-72.1173.6-177.200111.6K59 Y60 A66 Q67K59-E63 WeakPolarHBondContact CE-OE1 3.35Å; K59-E63 IonicContact NZ-OE1 3.98Å; K59-E63 WeakPolarHBondContact O-CG 3.28Å; K59-E63 PolarHBondContact O-N 3.43Å; Y60-E63 PolarHBondContact O-N 3.42Å; E63-A66 PolarHBondContact O-N 2.97Å; E63-Q67 VanDerWaalsContact O-CG 3.28Å; E63-Q67 WeakPolarHBondContact O-CG 3.37Å; E63-Q67 PolarHBondContact O-N 2.84Å
64F97.4Very high96.7Very high22 Ų2274.7 Ų74.710%0.09635%0.351CS..Hα-helixtrans-63.9-44.2179.7-167.3-89000111.5P26 H29 F30 Y60 L61 A66 Q67 N68 I74P26-F64 HydrophobicContact CB-CE1 4.17Å; P26-F64 HydrophobicContact CB-CZ 4.01Å; H29-F64 AromaticContact CD2-CE1 3.97Å; H29-F64 AromaticContact CD2-CE2 3.64Å; H29-F64 AromaticContact CD2-CZ 3.53Å; H29-F64 AromaticContact NE2-CE2 4Å; F30-F64 HydrophobicContact CB-CD1 4.14Å; F30-F64 HydrophobicContact CB-CE1 4.04Å; F30-F64 AromaticContact CD2-CD1 3.74Å; F30-F64 HydrophobicContact CD2-CD1 3.74Å; F30-F64 HydrophobicContact CD2-CE1 4.48Å; F30-F64 HydrophobicContact CG-CD1 4.32Å; Y60-F64 HydrophobicContact CE1-CB 4.33Å; Y60-F64 HydrophobicContact CE1-CD2 4.27Å; Y60-F64 HydrophobicContact CE1-CG 4.48Å; Y60-F64 AromaticContact CZ-CD2 3.88Å; Y60-F64 VanDerWaalsContact O-CB 3.24Å; Y60-F64 WeakPolarHBondContact O-CB 3.49Å; Y60-F64 PolarHBondContact O-N 3.05Å; Y60-F64 WeakPolarHBondContact OH-CD2 3.3Å; L61-F64 PolarHBondContact O-N 2.91Å; F64-A66 VanDerWaalsContact C-N 3.29Å; F64-A66 PolarHBondContact O-N 3.25Å; F64-Q67 PolarHBondContact O-N 2.9Å; F64-N68 WeakPolarHBondContact O-CB 3.35Å; F64-N68 PolarHBondContact O-N 3Å; F64-N68 PolarHBondContact O-ND2 2.86Å; F64-I74 HydrophobicContact CD1-CD1 4.32Å; F64-I74 HydrophobicContact CE1-CD1 3.74Å
65K96.9Very high96.7Very high86 Ų8677.2 Ų77.237%0.37437%0.366SS..Hα-helixtrans-62.3-38.8174.5-173.8166.3-171.81690111.1F30 L61 N68 R69 I74F30-K65 HydrophobicContact CE2-CB 3.86Å; F30-K65 HydrophobicContact CZ-CB 4.1Å; F30-K65 HydrophobicContact CZ-CD 3.98Å; F30-K65 HydrophobicContact CZ-CG 4.4Å; L61-K65 WeakPolarHBondContact O-CB 3.45Å; L61-K65 PolarHBondContact O-N 3.3Å; K65-N68 CarbonylContact O-C 3.58Å; K65-N68 PolarHBondContact O-N 3.25Å; K65-R69 VanDerWaalsContact O-CG 3.3Å; K65-R69 WeakPolarHBondContact O-CG 3.36Å; K65-R69 PolarHBondContact O-N 3.19Å; K65-I74 HydrophobicContact CB-CG2 4.33Å; K65-I74 HydrophobicContact CG-CG2 3.97Å
66A97.1Very high96.7Very high44 Ų4477.9 Ų77.936%0.36436%0.361SS..Hα-helixtrans-67.8-35.7177.700000113.4E62 E63 F64 R69E62-A66 WeakPolarHBondContact O-CB 3.43Å; E62-A66 PolarHBondContact O-N 3.43Å; E63-A66 PolarHBondContact O-N 2.97Å; F64-A66 VanDerWaalsContact C-N 3.29Å; F64-A66 PolarHBondContact O-N 3.25Å; A66-R69 WeakPolarHBondContact O-CG 3.49Å
67Q97Very high96.8Very high133 Ų13379.9 Ų79.962%0.62137%0.37SS*.Hα-helixtrans-75.5-24177.1-70.8169.78.500113.1E63 F64 Q70E63-Q67 VanDerWaalsContact O-CG 3.28Å; E63-Q67 WeakPolarHBondContact O-CG 3.37Å; E63-Q67 PolarHBondContact O-N 2.84Å; F64-Q67 PolarHBondContact O-N 2.9Å; Q67-Q70 PolarHBondContact O-OE1 3.31Å
68N96.5Very high96.8Very high27 Ų2783.6 Ų83.614%0.14439%0.391CS..THydrogen-bonded Turntrans-115.228.7-175.5-63.6-82.1000113.2F64 K65 Q70 I71 I74F64-N68 WeakPolarHBondContact O-CB 3.35Å; F64-N68 PolarHBondContact O-N 3Å; F64-N68 PolarHBondContact O-ND2 2.86Å; K65-N68 CarbonylContact O-C 3.58Å; K65-N68 PolarHBondContact O-N 3.25Å; N68-Q70 PolarHBondContact O-N 3.46Å; N68-I71 HydrophobicContact CB-CD1 3.95Å; N68-I71 HydrophobicContact CB-CG1 4.22Å; N68-I71 WeakPolarHBondContact O-CB 3.48Å; N68-I71 PolarHBondContact O-N 2.87Å; N68-I74 HydrophobicContact CB-CD1 3.61Å
69R94.6Very high96.9Very high183 Ų18383 Ų8369%0.69139%0.386SS*.THydrogen-bonded Turntrans-59-20.5-178.1-71.9175.9-175-120.3-2.1114.5K65 A66 I71 T75K65-R69 VanDerWaalsContact O-CG 3.3Å; K65-R69 WeakPolarHBondContact O-CG 3.36Å; K65-R69 PolarHBondContact O-N 3.19Å; A66-R69 WeakPolarHBondContact O-CG 3.49Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-T75 VanDerWaalsContact O-CG2 3.32Å; R69-T75 WeakPolarHBondContact O-CG2 3.5Å
70Q95.6Very high96.9Very high139 Ų13976.9 Ų76.965%0.6536%0.36SS*.THydrogen-bonded Turntrans-78.3-15.8176.669.5-76.1-2.300113.6Q67 N68Q67-Q70 PolarHBondContact O-OE1 3.31Å; N68-Q70 PolarHBondContact O-N 3.46Å
71I96.5Very high96.9Very high37 Ų3775.9 Ų75.919%0.1936%0.358CS..  trans-89.1110.9-177.6-56-173.4000108.3P26 N68 R69 E73 I74 T75P26-I71 HydrophobicContact CB-CD1 3.97Å; P26-I71 HydrophobicContact CG-CD1 4.08Å; N68-I71 HydrophobicContact CB-CD1 3.95Å; N68-I71 HydrophobicContact CB-CG1 4.22Å; N68-I71 WeakPolarHBondContact O-CB 3.48Å; N68-I71 PolarHBondContact O-N 2.87Å; R69-I71 VanDerWaalsContact C-N 3.33Å; I71-E73 VanDerWaalsContact C-N 3.26Å; I71-E73 HydrophobicContact CG2-CB 4.26Å; I71-E73 VanDerWaalsContact CG2-OE2 3.23Å; I71-E73 WeakPolarHBondContact CG2-OE2 3.24Å; I71-E73 PolarHBondContact O-N 2.93Å; I71-I74 HydrophobicContact CB-CB 4.41Å; I71-I74 HydrophobicContact CB-CD1 4.11Å; I71-I74 HydrophobicContact CB-CG1 4.37Å; I71-I74 HydrophobicContact CD1-CD1 4.17Å; I71-I74 HydrophobicContact CG2-CB 4.47Å; I71-I74 HydrophobicContact CG2-CD1 4.09Å; I71-I74 HydrophobicContact CG2-CG1 4.09Å; I71-I74 PolarHBondContact O-N 2.89Å; I71-T75 PolarHBondContact O-N 3.47Å; I71-T75 PolarHBondContact O-OG1 2.96Å
72R96.3Very high96.9Very high124 Ų12478.7 Ų78.747%0.46838%0.379SS..Hα-helixtrans-63.3-35.9-175-70.7-16470.4-136.9-5.9111.9I74 T75 D76 E79R72-I74 PolarHBondContact O-N 3.39Å; R72-T75 PolarHBondContact O-N 3.34Å; R72-T75 VanDerWaalsContact O-N 3.07Å; R72-T75 PolarHBondContact O-OG1 3.48Å; R72-D76 IonicContact CZ-OD2 2.86Å; R72-D76 IonicContact NH2-OD2 2.86Å; R72-D76 PolarHBondContact NH2-OD2 2.98Å; R72-D76 WeakPolarHBondContact O-CA 3.49Å; R72-D76 VanDerWaalsContact O-CB 3.32Å; R72-D76 WeakPolarHBondContact O-CB 3.37Å; R72-D76 PolarHBondContact O-N 3.08Å; R72-E79 HydrophobicContact CB-CB 4.34Å; R72-E79 HydrophobicContact CB-CG 4.15Å; R72-E79 IonicContact CZ-OE1 2.66Å; R72-E79 VanDerWaalsContact CZ-OE1 3.25Å; R72-E79 IonicContact NH1-OE1 2.76Å; R72-E79 PolarHBondContact NH1-OE1 3.4Å; R72-E79 IonicContact NH1-OE2 3.21Å; R72-E79 IonicContact NH2-OE1 3.77Å; R72-E79 PolarHBondContact NH2-OE1 2.9Å
73E97.2Very high97Very high66 Ų6674.6 Ų74.631%0.30836%0.359SS..Hα-helixtrans-64.9-8.7177.6-5587.915800113.3C27 W31 I71 A80 H83C27-E73 HydrophobicContact CB-CB 3.67Å; C27-E73 PolarHBondContact SG-O 3.19Å; C27-E73 VanDerWaalsContact SG-O 3.37Å; W31-E73 PolarHBondContact NE1-O 3.38Å; I71-E73 VanDerWaalsContact C-N 3.26Å; I71-E73 HydrophobicContact CG2-CB 4.26Å; I71-E73 VanDerWaalsContact CG2-OE2 3.23Å; I71-E73 WeakPolarHBondContact CG2-OE2 3.24Å; I71-E73 PolarHBondContact O-N 2.93Å; E73-A80 VanDerWaalsContact O-CB 3.24Å; E73-A80 WeakPolarHBondContact O-CB 3.45Å; E73-H83 HydrophobicContact CG-CB 4.06Å
74I96.8Very high97Very high0 Ų070.3 Ų70.30%034%0.34CS..Hα-helixtrans-105-33.8171.6-69.8173.3000111.6P26 F30 F64 K65 N68 I71 R72P26-I74 HydrophobicContact CB-CD1 3.85Å; F30-I74 HydrophobicContact CB-CD1 4.49Å; F30-I74 HydrophobicContact CB-CG1 4.29Å; F30-I74 HydrophobicContact CD1-CG1 4.45Å; F30-I74 HydrophobicContact CD1-CG2 4.12Å; F30-I74 HydrophobicContact CD2-CG2 4.49Å; F30-I74 HydrophobicContact CE1-CG2 4.22Å; F30-I74 HydrophobicContact CG-CG1 4.42Å; F30-I74 HydrophobicContact CG-CG2 4.27Å; F30-I74 HydrophobicContact CZ-CG2 4.46Å; F64-I74 HydrophobicContact CD1-CD1 4.32Å; F64-I74 HydrophobicContact CE1-CD1 3.74Å; K65-I74 HydrophobicContact CB-CG2 4.33Å; K65-I74 HydrophobicContact CG-CG2 3.97Å; N68-I74 HydrophobicContact CB-CD1 3.61Å; I71-I74 HydrophobicContact CB-CB 4.41Å; I71-I74 HydrophobicContact CB-CD1 4.11Å; I71-I74 HydrophobicContact CB-CG1 4.37Å; I71-I74 HydrophobicContact CD1-CD1 4.17Å; I71-I74 HydrophobicContact CG2-CB 4.47Å; I71-I74 HydrophobicContact CG2-CD1 4.09Å; I71-I74 HydrophobicContact CG2-CG1 4.09Å; I71-I74 PolarHBondContact O-N 2.89Å; R72-I74 PolarHBondContact O-N 3.39Å
75T95.5Very high97Very high61 Ų6171.6 Ų71.637%0.37435%0.346SS..Hα-helixtrans-91.6-25.1-174.756.60000114.4R69 I71 R72R69-T75 VanDerWaalsContact O-CG2 3.32Å; R69-T75 WeakPolarHBondContact O-CG2 3.5Å; I71-T75 PolarHBondContact O-N 3.47Å; I71-T75 PolarHBondContact O-OG1 2.96Å; R72-T75 PolarHBondContact O-N 3.34Å; R72-T75 VanDerWaalsContact O-N 3.07Å; R72-T75 PolarHBondContact O-OG1 3.48Å
76D96.9Very high97.1Very high52 Ų5273.9 Ų73.928%0.27836%0.358SS..  trans-119.3119.9-173.7-170.7-31.7000109.4R72 L78 E79 A80R72-D76 IonicContact CZ-OD2 2.86Å; R72-D76 IonicContact NH2-OD2 2.86Å; R72-D76 PolarHBondContact NH2-OD2 2.98Å; R72-D76 WeakPolarHBondContact O-CA 3.49Å; R72-D76 VanDerWaalsContact O-CB 3.32Å; R72-D76 WeakPolarHBondContact O-CB 3.37Å; R72-D76 PolarHBondContact O-N 3.08Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 2.93Å; D76-L78 PolarHBondContact OD1-N 3.47Å; D76-E79 HydrophobicContact CB-CB 4.12Å; D76-E79 HydrophobicContact CB-CG 3.91Å; D76-E79 PolarHBondContact O-N 3.31Å; D76-A80 WeakPolarHBondContact O-CB 3.4Å; D76-A80 PolarHBondContact O-N 2.96Å
77E96.5Very high97.1Very high130 Ų13073.8 Ų73.861%0.60735%0.348SS*.Hα-helixtrans-65-33.2-176.5-68.9-176.7176.600112.5W31 A80 Q81 F125W31-E77 HydrophobicContact CH2-CG 4.09Å; W31-E77 HydrophobicContact CZ2-CG 4.48Å; E77-A80 PolarHBondContact O-N 3.22Å; E77-Q81 VanDerWaalsContact O-CB 3.31Å; E77-Q81 WeakPolarHBondContact O-CB 3.23Å; E77-Q81 PolarHBondContact O-N 3.36Å; E77-F125 HydrophobicContact CB-CD1 3.98Å; E77-F125 HydrophobicContact CB-CE1 4.08Å; E77-F125 HydrophobicContact CG-CD1 4.39Å; E77-F125 HydrophobicContact CG-CE1 4.31Å
78L97.4Very high97.2Very high121 Ų12167.4 Ų67.463%0.63432%0.319SS*.Hα-helixtrans-70.6-42.3-179.6-178.962.4000111.2D76 Q81 C82D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 2.93Å; D76-L78 PolarHBondContact OD1-N 3.47Å; L78-Q81 PolarHBondContact O-N 3.33Å; L78-C82 WeakPolarHBondContact O-CB 3.48Å; L78-C82 PolarHBondContact O-N 2.91Å
79E98Very high97.3Very high60 Ų6070.2 Ų70.228%0.2833%0.329SS..Hα-helixtrans-66.6-41176.3-61.5-68.5164.100110.9R72 D76 C82 H83R72-E79 HydrophobicContact CB-CB 4.34Å; R72-E79 HydrophobicContact CB-CG 4.15Å; R72-E79 IonicContact CZ-OE1 2.66Å; R72-E79 VanDerWaalsContact CZ-OE1 3.25Å; R72-E79 IonicContact NH1-OE1 2.76Å; R72-E79 PolarHBondContact NH1-OE1 3.4Å; R72-E79 IonicContact NH1-OE2 3.21Å; R72-E79 IonicContact NH2-OE1 3.77Å; R72-E79 PolarHBondContact NH2-OE1 2.9Å; D76-E79 HydrophobicContact CB-CB 4.12Å; D76-E79 HydrophobicContact CB-CG 3.91Å; D76-E79 PolarHBondContact O-N 3.31Å; E79-C82 PolarHBondContact O-N 3.07Å; E79-H83 WeakPolarHBondContact O-CB 3.04Å; E79-H83 PolarHBondContact O-N 3.43Å
80A98.2Very high97.4Very high0 Ų068.2 Ų68.20%033%0.326CS..Hα-helixtrans-58.5-49.3173.700000112.1W31 E73 D76 E77 H83 L84 F125W31-A80 HydrophobicContact CD2-CB 4.43Å; W31-A80 HydrophobicContact CZ2-CB 3.81Å; E73-A80 VanDerWaalsContact O-CB 3.24Å; E73-A80 WeakPolarHBondContact O-CB 3.45Å; D76-A80 WeakPolarHBondContact O-CB 3.4Å; D76-A80 PolarHBondContact O-N 2.96Å; E77-A80 PolarHBondContact O-N 3.22Å; A80-H83 PolarHBondContact O-N 3.46Å; A80-L84 WeakPolarHBondContact O-CB 2.97Å; A80-L84 WeakPolarHBondContact O-CD1 3.35Å; A80-L84 VanDerWaalsContact O-CG 3.28Å; A80-L84 WeakPolarHBondContact O-CG 3.48Å; A80-L84 PolarHBondContact O-N 3.46Å; A80-F125 HydrophobicContact CB-CE1 3.89Å; A80-F125 HydrophobicContact CB-CZ 3.63Å
81Q98Very high97.6Very high67 Ų6762.8 Ų62.831%0.31330%0.301SS..Hα-helixtrans-60.4-47.3179-176.5-179.3-7.600111.1E77 L78 H83 L84 E85 L122 F125E77-Q81 VanDerWaalsContact O-CB 3.31Å; E77-Q81 WeakPolarHBondContact O-CB 3.23Å; E77-Q81 PolarHBondContact O-N 3.36Å; L78-Q81 PolarHBondContact O-N 3.33Å; Q81-H83 PolarHBondContact O-N 2.97Å; Q81-L84 PolarHBondContact O-N 2.92Å; Q81-E85 VanDerWaalsContact O-CB 3.27Å; Q81-E85 WeakPolarHBondContact O-CB 3.46Å; Q81-E85 PolarHBondContact O-N 3.04Å; Q81-L122 HydrophobicContact CG-CD2 4.07Å; Q81-F125 HydrophobicContact CB-CB 4.38Å; Q81-F125 HydrophobicContact CB-CD1 4.39Å; Q81-F125 HydrophobicContact CB-CD2 3.89Å; Q81-F125 HydrophobicContact CB-CE2 4.29Å; Q81-F125 HydrophobicContact CB-CG 3.96Å; Q81-F125 HydrophobicContact CG-CB 4.27Å; Q81-F125 HydrophobicContact CG-CD2 4.09Å; Q81-F125 HydrophobicContact CG-CG 4.26Å
82C97.8Very high97.6Very high75 Ų7562.3 Ų62.351%0.50730%0.298SS..Hα-helixtrans-57.7-49.8178.2-172.40000111.5L78 E79 E85 E86L78-C82 WeakPolarHBondContact O-CB 3.48Å; L78-C82 PolarHBondContact O-N 2.91Å; E79-C82 PolarHBondContact O-N 3.07Å; C82-E85 PolarHBondContact O-N 3.5Å; C82-E86 WeakPolarHBondContact O-CB 3.48Å; C82-E86 PolarHBondContact O-N 3.09Å
83H98.2Very high97.7Very high50 Ų5059.1 Ų59.123%0.23130%0.295CS..Hα-helixtrans-61.5-47.4179.5179.278000112.6D25 C27 E73 E79 A80 Q81 E85 E86 Y87D25-H83 VanDerWaalsContact CG-NE2 3.34Å; D25-H83 IonicContact OD1-NE2 2.72Å; D25-H83 PolarHBondContact OD1-NE2 2.5Å; D25-H83 IonicContact OD2-CD2 3.25Å; D25-H83 IonicContact OD2-CE1 3.22Å; D25-H83 PolarHBondContact OD2-CE1 3.41Å; D25-H83 IonicContact OD2-NE2 3.91Å; D25-H83 PolarHBondContact OD2-NE2 3.12Å; C27-H83 PolarHBondContact SG-CD2 3.38Å; E73-H83 HydrophobicContact CG-CB 4.06Å; E79-H83 WeakPolarHBondContact O-CB 3.04Å; E79-H83 PolarHBondContact O-N 3.43Å; A80-H83 PolarHBondContact O-N 3.46Å; Q81-H83 PolarHBondContact O-N 2.97Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-E85 PolarHBondContact O-N 3.28Å; H83-E86 PolarHBondContact O-N 3.2Å; H83-Y87 VanDerWaalsContact O-CB 3.29Å; H83-Y87 WeakPolarHBondContact O-CB 3.3Å; H83-Y87 PolarHBondContact O-N 3.13Å
84L98.4Very high97.8Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-64.9-38.4179.2-72.5166.7000111.8V28 W31 A80 Q81 S88 L118 I121 L122 F125V28-L84 HydrophobicContact CB-CD2 4.48Å; V28-L84 HydrophobicContact CG2-CD2 3.86Å; W31-L84 HydrophobicContact CB-CD1 3.83Å; W31-L84 HydrophobicContact CG-CD1 3.99Å; A80-L84 WeakPolarHBondContact O-CB 2.97Å; A80-L84 WeakPolarHBondContact O-CD1 3.35Å; A80-L84 VanDerWaalsContact O-CG 3.28Å; A80-L84 WeakPolarHBondContact O-CG 3.48Å; A80-L84 PolarHBondContact O-N 3.46Å; Q81-L84 PolarHBondContact O-N 2.92Å; L84-S88 VanDerWaalsContact O-CB 3.25Å; L84-S88 WeakPolarHBondContact O-CB 3.46Å; L84-S88 PolarHBondContact O-N 3.32Å; L84-S88 PolarHBondContact O-OG 2.81Å; L84-L118 HydrophobicContact CD2-CD2 3.88Å; L84-I121 HydrophobicContact CD1-CG2 4.09Å; L84-L122 HydrophobicContact CB-CD2 3.62Å; L84-L122 HydrophobicContact CB-CG 4.25Å; L84-F125 HydrophobicContact CD1-CE2 3.57Å; L84-F125 HydrophobicContact CD1-CZ 3.93Å
85E97.8Very high97.8Very high48 Ų4858.8 Ų58.822%0.22429%0.292CS..Hα-helixtrans-66.5-48.8177.5-172.1173.4161.800111.2Q81 C82 H83 Y87 S88 K89 L122 V132Q81-E85 VanDerWaalsContact O-CB 3.27Å; Q81-E85 WeakPolarHBondContact O-CB 3.46Å; Q81-E85 PolarHBondContact O-N 3.04Å; C82-E85 PolarHBondContact O-N 3.5Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-E85 PolarHBondContact O-N 3.28Å; E85-Y87 VanDerWaalsContact C-N 3.34Å; E85-Y87 PolarHBondContact O-N 2.99Å; E85-S88 PolarHBondContact O-N 2.74Å; E85-S88 PolarHBondContact O-OG 3.48Å; E85-K89 HydrophobicContact CG-CD 4.29Å; E85-K89 WeakPolarHBondContact O-CG 3.37Å; E85-K89 PolarHBondContact O-N 3.38Å; E85-K89 VanDerWaalsContact OE1-CE 3.3Å; E85-K89 WeakPolarHBondContact OE1-CE 3.23Å; E85-K89 IonicContact OE1-NZ 2.84Å; E85-K89 PolarHBondContact OE1-NZ 3.31Å; E85-L122 HydrophobicContact CB-CD1 4Å; E85-L122 HydrophobicContact CB-CD2 4.14Å; E85-L122 HydrophobicContact CG-CD1 4.26Å; E85-V132 HydrophobicContact CG-CG2 4.43Å
86E98Very high97.9Very high135 Ų13556.7 Ų56.763%0.63128%0.279SS*.Hα-helixtrans-59.3-45.8176-174179.5179.800111.4C82 H83 K89 K90C82-E86 WeakPolarHBondContact O-CB 3.48Å; C82-E86 PolarHBondContact O-N 3.09Å; H83-E86 PolarHBondContact O-N 3.2Å; E86-K89 PolarHBondContact O-N 3.08Å; E86-K90 WeakPolarHBondContact O-CB 3.15Å; E86-K90 PolarHBondContact O-N 2.68Å
87Y98.3Very high97.9Very high41 Ų4159 Ų5916%0.16129%0.291CS..Hα-helixtrans-66.8-41.9-178.2-173.7-131.6000112.4H21 V28 H83 E85 K89 K90 L91 L118H21-Y87 AromaticContact CD2-CE1 3.88Å; H21-Y87 AromaticContact NE2-CE1 3.39Å; H21-Y87 WeakPolarHBondContact NE2-CE1 3.36Å; H21-Y87 AromaticContact NE2-CZ 3.6Å; H21-Y87 PolarHBondContact NE2-OH 3.03Å; V28-Y87 HydrophobicContact CG2-CD1 3.65Å; V28-Y87 HydrophobicContact CG2-CE1 3.98Å; H83-Y87 VanDerWaalsContact O-CB 3.29Å; H83-Y87 WeakPolarHBondContact O-CB 3.3Å; H83-Y87 PolarHBondContact O-N 3.13Å; E85-Y87 VanDerWaalsContact C-N 3.34Å; E85-Y87 PolarHBondContact O-N 2.99Å; Y87-K89 PolarHBondContact O-N 3.02Å; Y87-K90 PolarHBondContact O-N 3.4Å; Y87-L91 HydrophobicContact CD2-CG 4.46Å; Y87-L91 HydrophobicContact CE1-CD1 3.97Å; Y87-L91 HydrophobicContact CE2-CD1 4.26Å; Y87-L91 HydrophobicContact CE2-CD2 4.14Å; Y87-L91 HydrophobicContact CE2-CG 4.01Å; Y87-L91 PolarHBondContact O-N 3.39Å; Y87-L118 HydrophobicContact CD1-CD1 3.42Å; Y87-L118 VanDerWaalsContact CD1-CD1 3.42Å; Y87-L118 HydrophobicContact CD1-CD2 4.3Å; Y87-L118 HydrophobicContact CE1-CD1 3.74Å; Y87-L118 HydrophobicContact CG-CD1 4.25Å
88S98.2Very high98Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-61.5-42.7176.2740000112L84 E85 L91 F92 A115L84-S88 VanDerWaalsContact O-CB 3.25Å; L84-S88 WeakPolarHBondContact O-CB 3.46Å; L84-S88 PolarHBondContact O-N 3.32Å; L84-S88 PolarHBondContact O-OG 2.81Å; E85-S88 PolarHBondContact O-N 2.74Å; E85-S88 PolarHBondContact O-OG 3.48Å; S88-L91 PolarHBondContact O-N 2.84Å; S88-F92 WeakPolarHBondContact O-CB 3.23Å; S88-F92 PolarHBondContact O-N 3.48Å; S88-A115 WeakPolarHBondContact O-CB 3.28Å
89K98.2Very high97.9Very high85 Ų8548.8 Ų48.837%0.3724%0.241SC..Hα-helixtrans-64-41.1174.9-75.2174.9-175.8172.90111.6E85 E86 Y87 L91 F92 S93 M135E85-K89 HydrophobicContact CG-CD 4.29Å; E85-K89 WeakPolarHBondContact O-CG 3.37Å; E85-K89 PolarHBondContact O-N 3.38Å; E85-K89 VanDerWaalsContact OE1-CE 3.3Å; E85-K89 WeakPolarHBondContact OE1-CE 3.23Å; E85-K89 IonicContact OE1-NZ 2.84Å; E85-K89 PolarHBondContact OE1-NZ 3.31Å; E86-K89 PolarHBondContact O-N 3.08Å; Y87-K89 PolarHBondContact O-N 3.02Å; K89-L91 PolarHBondContact O-N 3.37Å; K89-F92 WeakPolarHBondContact O-CB 3.4Å; K89-F92 PolarHBondContact O-N 2.86Å; K89-S93 PolarHBondContact O-N 3.38Å; K89-S93 PolarHBondContact O-OG 2.79Å; K89-M135 HydrophobicContact CG-CE 3.57Å; K89-M135 HydrophobicContact CG-SD 4.12Å
90K98.4Very high97.8Very high141 Ų14151.4 Ų51.461%0.61325%0.248SC*.Hα-helixtrans-62-44.5177.7-176.3175.6-178170.70112.4E86 Y87 F92 F94E86-K90 WeakPolarHBondContact O-CB 3.15Å; E86-K90 PolarHBondContact O-N 2.68Å; Y87-K90 PolarHBondContact O-N 3.4Å; K90-F92 VanDerWaalsContact C-N 3.34Å; K90-F94 WeakPolarHBondContact O-CB 3.29Å; K90-F94 PolarHBondContact O-N 2.89Å
91L98.1Very high97.7Very high25 Ų2554.4 Ų54.413%0.13127%0.274CS..Hα-helixtrans-64.8-40.5174.9-69.8-177.6000111.5Y87 S88 K89 F94 A95 A115 L118Y87-L91 HydrophobicContact CD2-CG 4.46Å; Y87-L91 HydrophobicContact CE1-CD1 3.97Å; Y87-L91 HydrophobicContact CE2-CD1 4.26Å; Y87-L91 HydrophobicContact CE2-CD2 4.14Å; Y87-L91 HydrophobicContact CE2-CG 4.01Å; Y87-L91 PolarHBondContact O-N 3.39Å; S88-L91 PolarHBondContact O-N 2.84Å; K89-L91 PolarHBondContact O-N 3.37Å; L91-F94 PolarHBondContact O-N 2.93Å; L91-A95 WeakPolarHBondContact O-CB 3.45Å; L91-A95 PolarHBondContact O-N 3.41Å; L91-A115 HydrophobicContact CB-CB 4.01Å; L91-L118 HydrophobicContact CD1-CD1 3.7Å
92F98.2Very high97.6Very high27 Ų2757.7 Ų57.712%0.11829%0.289CS..Hα-helixtrans-59.6-53.5174.8-175.8-86000111.8S88 K89 K90 F94 A95 D96 F112 A115 M119 M135 Y138 A139S88-F92 WeakPolarHBondContact O-CB 3.23Å; S88-F92 PolarHBondContact O-N 3.48Å; K89-F92 WeakPolarHBondContact O-CB 3.4Å; K89-F92 PolarHBondContact O-N 2.86Å; K90-F92 VanDerWaalsContact C-N 3.34Å; F92-F94 VanDerWaalsContact C-N 3.3Å; F92-F94 PolarHBondContact O-N 3.23Å; F92-A95 WeakPolarHBondContact O-CB 3.42Å; F92-A95 PolarHBondContact O-N 2.84Å; F92-D96 HydrophobicContact CD1-CB 4.25Å; F92-D96 HydrophobicContact CE1-CB 3.95Å; F92-D96 WeakPolarHBondContact O-CB 3.46Å; F92-D96 PolarHBondContact O-N 2.88Å; F92-F112 HydrophobicContact CD2-CD1 4.18Å; F92-F112 HydrophobicContact CD2-CE1 4.14Å; F92-F112 HydrophobicContact CE2-CD1 4.26Å; F92-F112 AromaticContact CE2-CE1 3.94Å; F92-F112 HydrophobicContact CE2-CE1 3.94Å; F92-F112 HydrophobicContact CZ-CE1 4.33Å; F92-A115 HydrophobicContact CB-CB 4.07Å; F92-M119 HydrophobicContact CB-CE 4.23Å; F92-M119 HydrophobicContact CD2-CE 4.45Å; F92-M135 HydrophobicContact CB-CG 4.33Å; F92-M135 HydrophobicContact CB-SD 3.83Å; F92-M135 HydrophobicContact CD1-CG 3.9Å; F92-M135 HydrophobicContact CD1-SD 3.72Å; F92-M135 HydrophobicContact CD2-CG 3.26Å; F92-M135 HydrophobicContact CD2-SD 3.89Å; F92-M135 HydrophobicContact CE1-CG 3.98Å; F92-M135 HydrophobicContact CE1-SD 4.26Å; F92-M135 HydrophobicContact CE2-CB 4.37Å; F92-M135 HydrophobicContact CE2-CG 3.3Å; F92-M135 HydrophobicContact CE2-SD 4.37Å; F92-M135 HydrophobicContact CG-CG 3.56Å; F92-M135 HydrophobicContact CG-SD 3.52Å; F92-M135 VanDerWaalsContact CG-SD 3.52Å; F92-M135 HydrophobicContact CZ-CG 3.69Å; F92-Y138 AromaticContact CE2-CD1 3.6Å; F92-Y138 HydrophobicContact CE2-CD1 3.6Å; F92-Y138 HydrophobicContact CE2-CE1 4.31Å; F92-Y138 AromaticContact CZ-CD1 3.51Å; F92-Y138 HydrophobicContact CZ-CD1 3.51Å; F92-Y138 AromaticContact CZ-CE1 3.95Å; F92-Y138 HydrophobicContact CZ-CE1 3.95Å; F92-Y138 HydrophobicContact CZ-CG 4.43Å; F92-A139 HydrophobicContact CD2-CB 3.88Å; F92-A139 HydrophobicContact CE2-CB 3.95Å
93S98Very high97.5Very high58 Ų5857 Ų5741%0.40628%0.282SS..Hα-helixtrans-61.9-37.6-179.6-61.90000112.1K89 N97K89-S93 PolarHBondContact O-N 3.38Å; K89-S93 PolarHBondContact O-OG 2.79Å; S93-N97 WeakPolarHBondContact O-CB 3.46Å; S93-N97 PolarHBondContact O-N 3.3Å; S93-N97 PolarHBondContact O-ND2 2.86Å
94F98.3Very high97.3Very high58 Ų5857.6 Ų57.625%0.25428%0.284SS..Hα-helixtrans-58.5-48.7171.4168.5-93.7000111.2K90 L91 F92 N98 A111 L201K90-F94 WeakPolarHBondContact O-CB 3.29Å; K90-F94 PolarHBondContact O-N 2.89Å; L91-F94 PolarHBondContact O-N 2.93Å; F92-F94 VanDerWaalsContact C-N 3.3Å; F92-F94 PolarHBondContact O-N 3.23Å; F94-N98 WeakPolarHBondContact CE2-ND2 3.43Å; F94-N98 PolarHBondContact O-N 3.09Å; F94-N98 PolarHBondContact O-ND2 3.06Å; F94-A111 HydrophobicContact CD1-CB 3.61Å; F94-A111 HydrophobicContact CE1-CB 3.99Å; F94-L201 HydrophobicContact CE1-CD1 4.17Å; F94-L201 HydrophobicContact CZ-CD1 4.41Å
95A98Very high97Very high0 Ų060.4 Ų60.40%030%0.299CS..Hα-helixtrans-66-46-178.900000111.9L91 F92 N98 D99 V108 A111 F112L91-A95 WeakPolarHBondContact O-CB 3.45Å; L91-A95 PolarHBondContact O-N 3.41Å; F92-A95 WeakPolarHBondContact O-CB 3.42Å; F92-A95 PolarHBondContact O-N 2.84Å; A95-N98 PolarHBondContact O-N 3.1Å; A95-D99 WeakPolarHBondContact O-CB 3.36Å; A95-D99 PolarHBondContact O-N 3.05Å; A95-V108 HydrophobicContact CB-CG1 4.2Å; A95-A111 HydrophobicContact CB-CB 3.81Å; A95-F112 HydrophobicContact CB-CB 4.32Å; A95-F112 HydrophobicContact CB-CD1 3.68Å; A95-F112 HydrophobicContact CB-CD2 3.52Å; A95-F112 HydrophobicContact CB-CE1 3.77Å; A95-F112 HydrophobicContact CB-CE2 3.62Å; A95-F112 HydrophobicContact CB-CG 3.54Å; A95-F112 HydrophobicContact CB-CZ 3.75Å
96D97.2Very high96.8Very high17 Ų1762.5 Ų62.59%0.09131%0.307CS..Hα-helixtrans-65.8-39.9-178.7-165.660.8000112.2F92 N98 D99 R100 F112F92-D96 HydrophobicContact CD1-CB 4.25Å; F92-D96 HydrophobicContact CE1-CB 3.95Å; F92-D96 WeakPolarHBondContact O-CB 3.46Å; F92-D96 PolarHBondContact O-N 2.88Å; D96-N98 PolarHBondContact O-N 3.48Å; D96-D99 PolarHBondContact O-N 3.41Å; D96-R100 WeakPolarHBondContact O-CB 3.2Å; D96-R100 VanDerWaalsContact O-CG 3.24Å; D96-R100 WeakPolarHBondContact O-CG 3.48Å; D96-R100 PolarHBondContact O-N 3.27Å; D96-R100 IonicContact OD1-NE 3.7Å; D96-R100 IonicContact OD1-NH2 3.93Å; D96-R100 IonicContact OD2-CZ 3.44Å; D96-R100 IonicContact OD2-NE 2.74Å; D96-R100 PolarHBondContact OD2-NE 2.84Å; D96-R100 IonicContact OD2-NH2 3.23Å; D96-R100 PolarHBondContact OD2-NH2 3.21Å; D96-F112 HydrophobicContact CB-CE1 4.36Å; D96-F112 HydrophobicContact CB-CZ 4.22Å
97N97.7Very high96.7Very high101 Ų10158.4 Ų58.454%0.5429%0.29SS..Hα-helixtrans-65.3-40.3175.9-71.7-16.2000112.2S93 A101S93-N97 WeakPolarHBondContact O-CB 3.46Å; S93-N97 PolarHBondContact O-N 3.3Å; S93-N97 PolarHBondContact O-ND2 2.86Å; N97-A101 VanDerWaalsContact O-CB 3.26Å; N97-A101 WeakPolarHBondContact O-CB 3.42Å; N97-A101 PolarHBondContact O-N 3.15Å; N97-A101 VanDerWaalsContact O-N 3.11Å
98N97.7Very high96.6Very high36 Ų3656.4 Ų56.419%0.19328%0.282CS..Hα-helixtrans-69.5-40175.6-79.1-87.1000111.5F94 A95 D96 A101 E102 V103 V108F94-N98 WeakPolarHBondContact CE2-ND2 3.43Å; F94-N98 PolarHBondContact O-N 3.09Å; F94-N98 PolarHBondContact O-ND2 3.06Å; A95-N98 PolarHBondContact O-N 3.1Å; D96-N98 PolarHBondContact O-N 3.48Å; N98-A101 CarbonylContact O-C 3.45Å; N98-A101 PolarHBondContact O-N 3.49Å; N98-E102 PolarHBondContact O-N 2.93Å; N98-V103 HydrophobicContact CB-CB 4.06Å; N98-V103 HydrophobicContact CB-CG1 4.5Å; N98-V103 PolarHBondContact O-N 3.46Å; N98-V108 HydrophobicContact CB-CG2 3.46Å; N98-V108 VanDerWaalsContact CB-CG2 3.46Å
99D96.3Very high96.5Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-59.1-48175.8-179.265.6000111.8A95 D96 A101 E102 F104 F112 K142 P158 G159A95-D99 WeakPolarHBondContact O-CB 3.36Å; A95-D99 PolarHBondContact O-N 3.05Å; D96-D99 PolarHBondContact O-N 3.41Å; D99-A101 PolarHBondContact O-N 3.39Å; D99-E102 PolarHBondContact O-N 2.93Å; D99-E102 VanDerWaalsContact O-N 3.09Å; D99-F104 VanDerWaalsContact OD1-CE1 3.3Å; D99-F104 WeakPolarHBondContact OD1-CE1 3.43Å; D99-F112 HydrophobicContact CB-CE2 4.11Å; D99-F112 HydrophobicContact CB-CZ 4.28Å; D99-K142 WeakPolarHBondContact OD1-CE 3.35Å; D99-K142 IonicContact OD1-NZ 2.62Å; D99-K142 PolarHBondContact OD1-NZ 2.96Å; D99-K142 WeakPolarHBondContact OD2-CE 3.48Å; D99-K142 IonicContact OD2-NZ 2.83Å; D99-K142 PolarHBondContact OD2-NZ 3.31Å; D99-P158 WeakPolarHBondContact O-CB 3.49Å; D99-G159 WeakPolarHBondContact OD2-CA 3.28Å; D99-G159 PolarHBondContact OD2-N 3.48Å
100R95.6Very high96.3Very high115 Ų11553.5 Ų53.543%0.43427%0.27SS..Hα-helixtrans-65.2-26.9175.6-70.2172.2-174-85.4-3113.5D96 E102 P160D96-R100 WeakPolarHBondContact O-CB 3.2Å; D96-R100 VanDerWaalsContact O-CG 3.24Å; D96-R100 WeakPolarHBondContact O-CG 3.48Å; D96-R100 PolarHBondContact O-N 3.27Å; D96-R100 IonicContact OD1-NE 3.7Å; D96-R100 IonicContact OD1-NH2 3.93Å; D96-R100 IonicContact OD2-CZ 3.44Å; D96-R100 IonicContact OD2-NE 2.74Å; D96-R100 PolarHBondContact OD2-NE 2.84Å; D96-R100 IonicContact OD2-NH2 3.23Å; D96-R100 PolarHBondContact OD2-NH2 3.21Å; R100-E102 VanDerWaalsContact C-N 3.27Å; R100-P160 VanDerWaalsContact NH1-CD 3.32Å
101A96Very high96.2Very high64 Ų6446.8 Ų46.853%0.52924%0.241SC..THydrogen-bonded Turntrans-88.29175.700000113.1N97 N98 D99 V103N97-A101 VanDerWaalsContact O-CB 3.26Å; N97-A101 WeakPolarHBondContact O-CB 3.42Å; N97-A101 PolarHBondContact O-N 3.15Å; N97-A101 VanDerWaalsContact O-N 3.11Å; N98-A101 CarbonylContact O-C 3.45Å; N98-A101 PolarHBondContact O-N 3.49Å; D99-A101 PolarHBondContact O-N 3.39Å; A101-V103 HydrophobicContact CB-CG2 4.15Å; A101-V103 PolarHBondContact O-N 3.4Å
102E95.6Very high96.2Very high136 Ų13645.6 Ų45.664%0.63624%0.235SC*.THydrogen-bonded Turntrans60.522.3-178.3-37.9-166.9144.700113.9N98 D99 R100 F104 P158N98-E102 PolarHBondContact O-N 2.93Å; D99-E102 PolarHBondContact O-N 2.93Å; D99-E102 VanDerWaalsContact O-N 3.09Å; R100-E102 VanDerWaalsContact C-N 3.27Å; E102-F104 HydrophobicContact CB-CE2 4.07Å; E102-F104 HydrophobicContact CB-CZ 4.33Å; E102-F104 PolarHBondContact O-N 3.26Å; E102-P158 HydrophobicContact CB-CG 4.43Å; E102-P158 HydrophobicContact CG-CB 4.47Å; E102-P158 HydrophobicContact CG-CG 3.65Å
103V94.5Very high96.1Very high60 Ų6045 Ų4536%0.36423%0.232SC..  trans-9083.6177.7-177.40000108.9N98 A101 V108N98-V103 HydrophobicContact CB-CB 4.06Å; N98-V103 HydrophobicContact CB-CG1 4.5Å; N98-V103 PolarHBondContact O-N 3.46Å; A101-V103 HydrophobicContact CB-CG2 4.15Å; A101-V103 PolarHBondContact O-N 3.4Å; V103-V108 VanDerWaalsContact O-CG2 3.3Å; V103-V108 WeakPolarHBondContact O-CG2 3.42Å
104F94.1Very high96Very high63 Ų6342.5 Ų42.528%0.27622%0.215SC..  trans-93.1114.7-179.9-50-60.8000111.7D99 E102 L146 P156 P158D99-F104 VanDerWaalsContact OD1-CE1 3.3Å; D99-F104 WeakPolarHBondContact OD1-CE1 3.43Å; E102-F104 HydrophobicContact CB-CE2 4.07Å; E102-F104 HydrophobicContact CB-CZ 4.33Å; E102-F104 PolarHBondContact O-N 3.26Å; F104-L146 HydrophobicContact CD1-CD2 3.71Å; F104-L146 HydrophobicContact CE1-CD2 4.02Å; F104-P156 HydrophobicContact CB-CG 4.21Å; F104-P156 HydrophobicContact CD1-CB 4.17Å; F104-P156 HydrophobicContact CD1-CG 4.03Å; F104-P156 HydrophobicContact CD2-CB 4.34Å; F104-P156 HydrophobicContact CD2-CG 3.85Å; F104-P156 HydrophobicContact CE1-CB 4.03Å; F104-P156 HydrophobicContact CE1-CG 4.35Å; F104-P156 HydrophobicContact CE2-CB 4.18Å; F104-P156 HydrophobicContact CE2-CG 4.17Å; F104-P156 WeakPolarHBondContact CE2-O 3.44Å; F104-P156 HydrophobicContact CG-CB 4.31Å; F104-P156 HydrophobicContact CG-CG 3.75Å; F104-P156 HydrophobicContact CZ-CB 4Å; F104-P156 HydrophobicContact CZ-CG 4.4Å; F104-P156 WeakPolarHBondContact CZ-O 3.43Å; F104-P158 HydrophobicContact CZ-CG 3.96Å
105N93Very high96Very high59 Ų5939.8 Ų39.832%0.31620%0.203SC..SBendtrans-151.8172.5174.761.149.3000111.1N107 V108 I109N105-N107 PolarHBondContact O-N 3.09Å; N105-N107 VanDerWaalsContact O-N 3.13Å; N105-N107 WeakPolarHBondContact OD1-CA 3.5Å; N105-N107 WeakPolarHBondContact OD1-CB 3.33Å; N105-N107 PolarHBondContact OD1-N 2.89Å; N105-V108 PolarHBondContact O-N 3.35Å; N105-V108 VanDerWaalsContact O-N 3.1Å; N105-V108 PolarHBondContact OD1-N 3.41Å; N105-V108 VanDerWaalsContact OD1-N 3.08Å; N105-I109 PolarHBondContact O-N 3.02Å
106K94Very high96Very high91 Ų9139.9 Ų39.940%0.39620%0.204SC..Hα-helixtrans-57-29.5179.7-61.8-169.6-178.5-163.80113.2I109 K110 M150 T207 E211K106-I109 PolarHBondContact O-N 3.25Å; K106-K110 WeakPolarHBondContact O-CB 3.41Å; K106-K110 VanDerWaalsContact O-CG 3.27Å; K106-K110 WeakPolarHBondContact O-CG 3.39Å; K106-K110 PolarHBondContact O-N 2.98Å; K106-M150 HydrophobicContact CG-CE 4.12Å; K106-M150 HydrophobicContact CG-SD 3.75Å; K106-T207 HydrophobicContact CD-CG2 3.8Å; K106-E211 VanDerWaalsContact CE-OE1 3.29Å; K106-E211 WeakPolarHBondContact CE-OE1 3.46Å; K106-E211 IonicContact NZ-OE1 3.8Å; K106-E211 PolarHBondContact NZ-OE1 3.1Å
107N94.7Very high96Very high49 Ų4939.8 Ų39.826%0.26220%0.203SC..Hα-helixtrans-70.1-36.4-179.9-65.6-16.7000111.6N105 A111 L201N105-N107 PolarHBondContact O-N 3.09Å; N105-N107 VanDerWaalsContact O-N 3.13Å; N105-N107 WeakPolarHBondContact OD1-CA 3.5Å; N105-N107 WeakPolarHBondContact OD1-CB 3.33Å; N105-N107 PolarHBondContact OD1-N 2.89Å; N107-A111 VanDerWaalsContact O-CB 3.24Å; N107-A111 WeakPolarHBondContact O-CB 3.23Å; N107-A111 PolarHBondContact O-N 3.49Å; N107-L201 HydrophobicContact CB-CB 4.18Å; N107-L201 HydrophobicContact CB-CD1 3.6Å; N107-L201 HydrophobicContact CB-CG 4.3Å; N107-L201 WeakPolarHBondContact OD1-CB 3.17Å
108V96.3Very high96.1Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-65.8-45.8174177.40000111.2A95 N98 V103 N105 K110 A111 F112 L146A95-V108 HydrophobicContact CB-CG1 4.2Å; N98-V108 HydrophobicContact CB-CG2 3.46Å; N98-V108 VanDerWaalsContact CB-CG2 3.46Å; V103-V108 VanDerWaalsContact O-CG2 3.3Å; V103-V108 WeakPolarHBondContact O-CG2 3.42Å; N105-V108 PolarHBondContact O-N 3.35Å; N105-V108 VanDerWaalsContact O-N 3.1Å; N105-V108 PolarHBondContact OD1-N 3.41Å; N105-V108 VanDerWaalsContact OD1-N 3.08Å; V108-K110 PolarHBondContact O-N 3.2Å; V108-A111 PolarHBondContact O-N 3.37Å; V108-F112 HydrophobicContact CG1-CD2 3.92Å; V108-F112 HydrophobicContact CG1-CE2 3.84Å; V108-F112 PolarHBondContact O-N 3.03Å; V108-L146 HydrophobicContact CG1-CD1 3.78Å
109I96Very high96.1Very high14 Ų1433.3 Ų33.37%0.07217%0.168CC..Hα-helixtrans-58.3-50.8176.2-62.6167.6000110.3N105 K106 A111 F112 H113 L146 F147 M150 L214N105-I109 PolarHBondContact O-N 3.02Å; K106-I109 PolarHBondContact O-N 3.25Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 3.38Å; I109-F112 PolarHBondContact O-N 3.19Å; I109-H113 WeakPolarHBondContact O-CB 3.32Å; I109-H113 PolarHBondContact O-N 3.32Å; I109-L146 HydrophobicContact CD1-CB 4.18Å; I109-L146 HydrophobicContact CG1-CB 3.65Å; I109-L146 HydrophobicContact CG1-CD1 4.4Å; I109-F147 HydrophobicContact CD1-CB 4.13Å; I109-F147 HydrophobicContact CG2-CB 4.2Å; I109-M150 HydrophobicContact CD1-CB 4.41Å; I109-M150 HydrophobicContact CD1-CE 3.71Å; I109-M150 HydrophobicContact CD1-SD 3.89Å; I109-L214 HydrophobicContact CG2-CD2 4.27Å
110K95Very high96.2Very high9 Ų933.8 Ų33.84%0.03917%0.171CC..Hα-helixtrans-59.5-39.5177.5-75.9-177.9-175.8-168.50112.5K106 V108 H113 S114 L201 T207 Y210K106-K110 WeakPolarHBondContact O-CB 3.41Å; K106-K110 VanDerWaalsContact O-CG 3.27Å; K106-K110 WeakPolarHBondContact O-CG 3.39Å; K106-K110 PolarHBondContact O-N 2.98Å; V108-K110 PolarHBondContact O-N 3.2Å; K110-H113 PolarHBondContact O-N 3.02Å; K110-S114 VanDerWaalsContact O-CB 3.23Å; K110-S114 WeakPolarHBondContact O-CB 3.46Å; K110-S114 PolarHBondContact O-N 3.33Å; K110-S114 PolarHBondContact O-OG 3.24Å; K110-L201 HydrophobicContact CB-CD2 3.7Å; K110-L201 HydrophobicContact CD-CD2 3.91Å; K110-L201 PolarHBondContact NZ-O 2.92Å; K110-L201 VanDerWaalsContact NZ-O 3.09Å; K110-T207 PolarHBondContact NZ-OG1 3.41Å; K110-Y210 HydrophobicContact CD-CD2 4.14Å; K110-Y210 HydrophobicContact CD-CE2 4.49Å; K110-Y210 HydrophobicContact CG-CD2 4.05Å; K110-Y210 HydrophobicContact CG-CE2 4.48Å; K110-Y210 HydrophobicContact CG-CG 4.37Å
111A96.8Very high96.3Very high1 Ų128.3 Ų28.31%0.00815%0.15CC..Hα-helixtrans-68.1-45.8-179.900000111.9F94 A95 N107 V108 I109 H113 S114 A115F94-A111 HydrophobicContact CD1-CB 3.61Å; F94-A111 HydrophobicContact CE1-CB 3.99Å; A95-A111 HydrophobicContact CB-CB 3.81Å; N107-A111 VanDerWaalsContact O-CB 3.24Å; N107-A111 WeakPolarHBondContact O-CB 3.23Å; N107-A111 PolarHBondContact O-N 3.49Å; V108-A111 PolarHBondContact O-N 3.37Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 3.38Å; A111-H113 VanDerWaalsContact C-N 3.32Å; A111-H113 PolarHBondContact O-N 2.98Å; A111-S114 PolarHBondContact O-N 3.28Å; A111-A115 VanDerWaalsContact O-CB 3.25Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 3.44Å
112F97.8Very high96.4Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-58.8-44.8172.1-85.6-55.7000111.8F92 A95 D96 D99 V108 I109 A115 A116 Y138 A139 K142 A143 L146F92-F112 HydrophobicContact CD2-CD1 4.18Å; F92-F112 HydrophobicContact CD2-CE1 4.14Å; F92-F112 HydrophobicContact CE2-CD1 4.26Å; F92-F112 AromaticContact CE2-CE1 3.94Å; F92-F112 HydrophobicContact CE2-CE1 3.94Å; F92-F112 HydrophobicContact CZ-CE1 4.33Å; A95-F112 HydrophobicContact CB-CB 4.32Å; A95-F112 HydrophobicContact CB-CD1 3.68Å; A95-F112 HydrophobicContact CB-CD2 3.52Å; A95-F112 HydrophobicContact CB-CE1 3.77Å; A95-F112 HydrophobicContact CB-CE2 3.62Å; A95-F112 HydrophobicContact CB-CG 3.54Å; A95-F112 HydrophobicContact CB-CZ 3.75Å; D96-F112 HydrophobicContact CB-CE1 4.36Å; D96-F112 HydrophobicContact CB-CZ 4.22Å; D99-F112 HydrophobicContact CB-CE2 4.11Å; D99-F112 HydrophobicContact CB-CZ 4.28Å; V108-F112 HydrophobicContact CG1-CD2 3.92Å; V108-F112 HydrophobicContact CG1-CE2 3.84Å; V108-F112 PolarHBondContact O-N 3.03Å; I109-F112 PolarHBondContact O-N 3.19Å; F112-A115 PolarHBondContact O-N 3.06Å; F112-A116 PolarHBondContact O-N 2.96Å; F112-Y138 HydrophobicContact CE1-CD1 4.14Å; F112-Y138 AromaticContact CE1-CE1 3.82Å; F112-Y138 HydrophobicContact CE1-CE1 3.82Å; F112-Y138 AromaticContact CZ-CE1 3.99Å; F112-Y138 HydrophobicContact CZ-CE1 3.99Å; F112-A139 HydrophobicContact CD1-CB 4Å; F112-K142 HydrophobicContact CD2-CB 4.34Å; F112-K142 HydrophobicContact CD2-CG 4Å; F112-K142 HydrophobicContact CE1-CG 4.48Å; F112-K142 HydrophobicContact CE2-CB 4.3Å; F112-K142 HydrophobicContact CE2-CG 3.6Å; F112-K142 HydrophobicContact CG-CB 4.49Å; F112-K142 HydrophobicContact CZ-CB 4.4Å; F112-K142 HydrophobicContact CZ-CG 3.87Å; F112-A143 HydrophobicContact CB-CB 3.87Å; F112-L146 HydrophobicContact CD2-CD1 3.93Å; F112-L146 HydrophobicContact CE2-CD1 3.96Å
113H95.3Very high96.5Very high14 Ų1420.9 Ų20.97%0.06511%0.107CC..Hα-helixtrans-64.4-46.2-179.7-168-101000112.3I109 K110 A111 A115 A116 H117 A143 Y210 L214I109-H113 WeakPolarHBondContact O-CB 3.32Å; I109-H113 PolarHBondContact O-N 3.32Å; K110-H113 PolarHBondContact O-N 3.02Å; A111-H113 VanDerWaalsContact C-N 3.32Å; A111-H113 PolarHBondContact O-N 2.98Å; H113-A115 VanDerWaalsContact C-N 3.34Å; H113-A115 PolarHBondContact O-N 2.9Å; H113-A116 PolarHBondContact O-N 3.4Å; H113-H117 AromaticContact CE1-CD2 3.41Å; H113-H117 PolarHBondContact CE1-CD2 3.47Å; H113-H117 VanDerWaalsContact CE1-CD2 3.41Å; H113-H117 AromaticContact CE1-CE1 3.8Å; H113-H117 AromaticContact CE1-NE2 2.79Å; H113-H117 PolarHBondContact CE1-NE2 3.11Å; H113-H117 AromaticContact ND1-CD2 3.43Å; H113-H117 PolarHBondContact ND1-CD2 3.41Å; H113-H117 AromaticContact ND1-NE2 3.33Å; H113-H117 PolarHBondContact ND1-NE2 3.2Å; H113-H117 AromaticContact NE2-CE1 3.92Å; H113-H117 AromaticContact NE2-NE2 3.3Å; H113-H117 PolarHBondContact NE2-NE2 2.98Å; H113-H117 PolarHBondContact O-N 3.24Å; H113-A143 HydrophobicContact CB-CB 4.16Å; H113-Y210 AromaticContact CE1-CD1 3.81Å; H113-Y210 AromaticContact CE1-CE1 3.99Å; H113-Y210 AromaticContact ND1-CD1 3.45Å; H113-Y210 WeakPolarHBondContact ND1-CD1 3.23Å; H113-Y210 AromaticContact ND1-CE1 3.42Å; H113-Y210 WeakPolarHBondContact ND1-CE1 3.43Å; H113-L214 WeakPolarHBondContact CD2-CD1 3.38Å
114S96.8Very high96.7Very high6 Ų619.3 Ų19.34%0.04210%0.098CC..Hα-helixtrans-62.4-41.7176.6-59.10000111.4K110 A111 H117 L118K110-S114 VanDerWaalsContact O-CB 3.23Å; K110-S114 WeakPolarHBondContact O-CB 3.46Å; K110-S114 PolarHBondContact O-N 3.33Å; K110-S114 PolarHBondContact O-OG 3.24Å; A111-S114 PolarHBondContact O-N 3.28Å; S114-H117 PolarHBondContact O-N 2.84Å; S114-L118 VanDerWaalsContact O-CG 3.3Å; S114-L118 WeakPolarHBondContact O-CG 3.22Å; S114-L118 PolarHBondContact O-N 3.48Å
115A98.1Very high96.8Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-59.2-47.6174.500000111.2S88 L91 F92 A111 F112 H113 H117 L118 M119S88-A115 WeakPolarHBondContact O-CB 3.28Å; L91-A115 HydrophobicContact CB-CB 4.01Å; F92-A115 HydrophobicContact CB-CB 4.07Å; A111-A115 VanDerWaalsContact O-CB 3.25Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 3.44Å; F112-A115 PolarHBondContact O-N 3.06Å; H113-A115 VanDerWaalsContact C-N 3.34Å; H113-A115 PolarHBondContact O-N 2.9Å; A115-H117 VanDerWaalsContact C-N 3.35Å; A115-H117 PolarHBondContact O-N 2.92Å; A115-L118 PolarHBondContact O-N 3.36Å; A115-M119 HydrophobicContact CB-CE 3.93Å; A115-M119 VanDerWaalsContact O-CG 3.23Å; A115-M119 WeakPolarHBondContact O-CG 3.41Å; A115-M119 PolarHBondContact O-N 2.96Å
116A97.9Very high96.9Very high2 Ų217.2 Ų17.22%0.01710%0.098CC..Hα-helixtrans-59.8-42.7177.800000112.5F112 H113 M119 D120 A139 R140F112-A116 PolarHBondContact O-N 2.96Å; H113-A116 PolarHBondContact O-N 3.4Å; A116-M119 PolarHBondContact O-N 3.34Å; A116-D120 PolarHBondContact O-N 3.28Å; A116-A139 HydrophobicContact CB-CB 3.98Å; A116-R140 HydrophobicContact CB-CB 4.24Å
117H97.6Very high97Very high16 Ų1622.2 Ų22.27%0.07412%0.122CC..Hα-helixtrans-70.2-37.8178-71.6-28.8000113.9P13 Y14 L17 H113 S114 A115 M119 D120 I121P13-H117 WeakPolarHBondContact CB-NE2 3.44Å; Y14-H117 HydrophobicContact CD1-CB 4.45Å; Y14-H117 HydrophobicContact CE1-CB 4.1Å; Y14-H117 AromaticContact CE1-ND1 3.95Å; L17-H117 HydrophobicContact CD2-CB 3.9Å; H113-H117 AromaticContact CE1-CD2 3.41Å; H113-H117 PolarHBondContact CE1-CD2 3.47Å; H113-H117 VanDerWaalsContact CE1-CD2 3.41Å; H113-H117 AromaticContact CE1-CE1 3.8Å; H113-H117 AromaticContact CE1-NE2 2.79Å; H113-H117 PolarHBondContact CE1-NE2 3.11Å; H113-H117 AromaticContact ND1-CD2 3.43Å; H113-H117 PolarHBondContact ND1-CD2 3.41Å; H113-H117 AromaticContact ND1-NE2 3.33Å; H113-H117 PolarHBondContact ND1-NE2 3.2Å; H113-H117 AromaticContact NE2-CE1 3.92Å; H113-H117 AromaticContact NE2-NE2 3.3Å; H113-H117 PolarHBondContact NE2-NE2 2.98Å; H113-H117 PolarHBondContact O-N 3.24Å; S114-H117 PolarHBondContact O-N 2.84Å; A115-H117 VanDerWaalsContact C-N 3.35Å; A115-H117 PolarHBondContact O-N 2.92Å; H117-M119 PolarHBondContact O-N 2.98Å; H117-D120 IonicContact ND1-OD2 3.31Å; H117-D120 WeakPolarHBondContact O-CB 3.19Å; H117-D120 PolarHBondContact O-N 3.22Å; H117-D120 VanDerWaalsContact O-N 3.14Å; H117-I121 WeakPolarHBondContact O-CG1 3.45Å; H117-I121 PolarHBondContact O-N 2.64Å
118L98.4Very high97.1Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-61.8-37.1171.8-71.1167.8000111L17 V28 L84 Y87 L91 S114 A115 D120 I121 L122L17-L118 HydrophobicContact CD2-CD2 4.08Å; L17-L118 HydrophobicContact CD2-CG 4.23Å; V28-L118 HydrophobicContact CG1-CD2 3.73Å; V28-L118 HydrophobicContact CG2-CD2 4.12Å; L84-L118 HydrophobicContact CD2-CD2 3.88Å; Y87-L118 HydrophobicContact CD1-CD1 3.42Å; Y87-L118 VanDerWaalsContact CD1-CD1 3.42Å; Y87-L118 HydrophobicContact CD1-CD2 4.3Å; Y87-L118 HydrophobicContact CE1-CD1 3.74Å; Y87-L118 HydrophobicContact CG-CD1 4.25Å; L91-L118 HydrophobicContact CD1-CD1 3.7Å; S114-L118 VanDerWaalsContact O-CG 3.3Å; S114-L118 WeakPolarHBondContact O-CG 3.22Å; S114-L118 PolarHBondContact O-N 3.48Å; A115-L118 PolarHBondContact O-N 3.36Å; L118-D120 VanDerWaalsContact C-N 3.35Å; L118-I121 HydrophobicContact CD2-CD1 4.37Å; L118-I121 WeakPolarHBondContact O-CB 3.33Å; L118-I121 PolarHBondContact O-N 2.99Å; L118-L122 PolarHBondContact O-N 3.39Å
119M98.3Very high97.1Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-71.6-28174.3-63.2166.6-155.500112.9F92 A115 A116 H117 L122 L128 V132 M135 R136F92-M119 HydrophobicContact CB-CE 4.23Å; F92-M119 HydrophobicContact CD2-CE 4.45Å; A115-M119 HydrophobicContact CB-CE 3.93Å; A115-M119 VanDerWaalsContact O-CG 3.23Å; A115-M119 WeakPolarHBondContact O-CG 3.41Å; A115-M119 PolarHBondContact O-N 2.96Å; A116-M119 PolarHBondContact O-N 3.34Å; H117-M119 PolarHBondContact O-N 2.98Å; M119-L122 HydrophobicContact CG-CD1 4.47Å; M119-L128 WeakPolarHBondContact O-CD1 3.15Å; M119-V132 HydrophobicContact CB-CG1 4.25Å; M119-V132 HydrophobicContact CG-CG1 3.91Å; M119-V132 HydrophobicContact SD-CG1 4.34Å; M119-M135 HydrophobicContact CE-CE 3.24Å; M119-M135 HydrophobicContact CE-CG 3.74Å; M119-M135 HydrophobicContact CE-SD 3.65Å; M119-M135 HydrophobicContact SD-CB 4.25Å; M119-M135 HydrophobicContact SD-CE 3.75Å; M119-M135 HydrophobicContact SD-CG 4.05Å; M119-R136 HydrophobicContact CB-CB 3.85Å; M119-R136 HydrophobicContact CB-CG 3.81Å; M119-R136 HydrophobicContact CG-CB 4.41Å; M119-R136 VanDerWaalsContact SD-CA 3.56Å; M119-R136 HydrophobicContact SD-CB 3.71Å; M119-R136 HydrophobicContact SD-CG 4.45Å; M119-R136 PolarHBondContact SD-N 2.93Å
120D98.1Very high97Very high10 Ų1031.4 Ų31.45%0.05317%0.171CC..Hα-helixtrans-65.7-43.8166.3-70.7-37.2000110.5Y14 Y35 A116 H117 L118 L122 T123 R136 R140Y14-D120 HydrophobicContact CE1-CB 4.04Å; Y14-D120 PolarHBondContact OH-OD2 3.49Å; Y35-D120 WeakPolarHBondContact CE2-O 3.38Å; A116-D120 PolarHBondContact O-N 3.28Å; H117-D120 IonicContact ND1-OD2 3.31Å; H117-D120 WeakPolarHBondContact O-CB 3.19Å; H117-D120 PolarHBondContact O-N 3.22Å; H117-D120 VanDerWaalsContact O-N 3.14Å; L118-D120 VanDerWaalsContact C-N 3.35Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 3.12Å; D120-T123 WeakPolarHBondContact O-CB 3.32Å; D120-T123 WeakPolarHBondContact O-CG2 3.46Å; D120-T123 PolarHBondContact O-N 2.99Å; D120-T123 PolarHBondContact O-OG1 2.66Å; D120-R136 VanDerWaalsContact OD1-CD 3.29Å; D120-R136 WeakPolarHBondContact OD1-CD 3.28Å; D120-R136 IonicContact OD1-CZ 2.76Å; D120-R136 IonicContact OD1-NE 3.94Å; D120-R136 IonicContact OD1-NH1 3.43Å; D120-R136 PolarHBondContact OD1-NH1 2.92Å; D120-R140 IonicContact OD1-NH2 2.71Å; D120-R140 PolarHBondContact OD1-NH2 2.78Å; D120-R140 IonicContact OD2-CZ 3.06Å; D120-R140 IonicContact OD2-NH2 2.68Å; D120-R140 PolarHBondContact OD2-NH2 3.28Å
121I98.4Very high97Very high0 Ų033.1 Ų33.10%019%0.192CC..Hα-helixtrans-61.4-37.7176.9-66.2159.8000111.4Y14 L17 W31 S32 Y35 L84 H117 L118 T123 T124Y14-I121 HydrophobicContact CD1-CD1 4.3Å; Y14-I121 HydrophobicContact CD1-CG1 4.17Å; Y14-I121 HydrophobicContact CE1-CG1 4.44Å; L17-I121 HydrophobicContact CD2-CD1 3.63Å; W31-I121 HydrophobicContact CB-CG2 3.96Å; S32-I121 VanDerWaalsContact OG-CD1 3.22Å; S32-I121 WeakPolarHBondContact OG-CD1 3.42Å; Y35-I121 HydrophobicContact CD1-CG1 4.19Å; Y35-I121 HydrophobicContact CD2-CG1 4.45Å; Y35-I121 HydrophobicContact CG-CB 4.43Å; Y35-I121 HydrophobicContact CG-CG1 3.89Å; L84-I121 HydrophobicContact CD1-CG2 4.09Å; H117-I121 WeakPolarHBondContact O-CG1 3.45Å; H117-I121 PolarHBondContact O-N 2.64Å; L118-I121 HydrophobicContact CD2-CD1 4.37Å; L118-I121 WeakPolarHBondContact O-CB 3.33Å; L118-I121 PolarHBondContact O-N 2.99Å; I121-T123 PolarHBondContact O-N 2.93Å; I121-T124 WeakPolarHBondContact O-CB 3.07Å; I121-T124 WeakPolarHBondContact O-CG2 3.33Å; I121-T124 PolarHBondContact O-N 2.89Å; I121-T124 PolarHBondContact O-OG1 3.42Å
122L98.2Very high97Very high5 Ų533.2 Ų33.23%0.02619%0.192CC..G310 helixtrans-54.6-22.3175.1-77.3172.1000113.6Q81 L84 E85 L118 M119 D120 T124 F125 L128 V132Q81-L122 HydrophobicContact CG-CD2 4.07Å; L84-L122 HydrophobicContact CB-CD2 3.62Å; L84-L122 HydrophobicContact CB-CG 4.25Å; E85-L122 HydrophobicContact CB-CD1 4Å; E85-L122 HydrophobicContact CB-CD2 4.14Å; E85-L122 HydrophobicContact CG-CD1 4.26Å; L118-L122 PolarHBondContact O-N 3.39Å; M119-L122 HydrophobicContact CG-CD1 4.47Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 3.12Å; L122-T124 PolarHBondContact O-N 3.19Å; L122-F125 HydrophobicContact CD2-CD2 4.34Å; L122-F125 WeakPolarHBondContact O-CD2 3.38Å; L122-F125 PolarHBondContact O-N 3.14Å; L122-F125 VanDerWaalsContact O-N 3.17Å; L122-L128 HydrophobicContact CB-CD2 3.46Å; L122-L128 VanDerWaalsContact CB-CD2 3.46Å; L122-L128 HydrophobicContact CD1-CD2 4.5Å; L122-V132 HydrophobicContact CD1-CG1 4.16Å
123T97.9Very high96.9Very high39 Ų3934.2 Ų34.224%0.23920%0.201CC..G310 helixtrans-67.6-10.4174.769.90000114.1Y35 D120 I121 F125 G126 L128Y35-T123 WeakPolarHBondContact CE2-OG1 3.39Å; D120-T123 WeakPolarHBondContact O-CB 3.32Å; D120-T123 WeakPolarHBondContact O-CG2 3.46Å; D120-T123 PolarHBondContact O-N 2.99Å; D120-T123 PolarHBondContact O-OG1 2.66Å; I121-T123 PolarHBondContact O-N 2.93Å; T123-F125 PolarHBondContact O-N 2.88Å; T123-G126 WeakPolarHBondContact CA-O 3.41Å; T123-G126 PolarHBondContact O-N 3.09Å; T123-L128 HydrophobicContact CG2-CD1 4.01Å; T123-L128 HydrophobicContact CG2-CD2 4.05Å; T123-L128 HydrophobicContact CG2-CG 3.89Å
124T97.1Very high96.9Very high27 Ų2739.1 Ų39.117%0.16622%0.224CC..G310 helixtrans-63.2-25.4170.457.10000112.6Y35 I121 L122Y35-T124 HydrophobicContact CD2-CG2 3.67Å; Y35-T124 HydrophobicContact CG-CG2 4.27Å; I121-T124 WeakPolarHBondContact O-CB 3.07Å; I121-T124 WeakPolarHBondContact O-CG2 3.33Å; I121-T124 PolarHBondContact O-N 2.89Å; I121-T124 PolarHBondContact O-OG1 3.42Å; L122-T124 PolarHBondContact O-N 3.19Å
125F97Very high96.9Very high38 Ų3840.2 Ų40.217%0.16723%0.228CC..G310 helixtrans-97.1-0.8-177.6-50.2-73.9000113.2W31 E77 A80 Q81 L84 L122 T123W31-F125 HydrophobicContact CD2-CE1 4.14Å; W31-F125 AromaticContact CD2-CZ 3.59Å; W31-F125 HydrophobicContact CD2-CZ 3.59Å; W31-F125 AromaticContact CE2-CZ 3.76Å; W31-F125 AromaticContact CE3-CE1 3.92Å; W31-F125 HydrophobicContact CE3-CE1 3.92Å; W31-F125 AromaticContact CE3-CZ 3.59Å; W31-F125 HydrophobicContact CE3-CZ 3.59Å; W31-F125 HydrophobicContact CG-CZ 4.19Å; W31-F125 AromaticContact CH2-CE1 3.47Å; W31-F125 HydrophobicContact CH2-CE1 3.47Å; W31-F125 VanDerWaalsContact CH2-CE1 3.47Å; W31-F125 AromaticContact CH2-CZ 3.97Å; W31-F125 HydrophobicContact CH2-CZ 3.97Å; W31-F125 AromaticContact CZ2-CE1 3.7Å; W31-F125 HydrophobicContact CZ2-CE1 3.7Å; W31-F125 AromaticContact CZ2-CZ 3.95Å; W31-F125 HydrophobicContact CZ2-CZ 3.95Å; W31-F125 AromaticContact CZ3-CE1 3.58Å; W31-F125 HydrophobicContact CZ3-CE1 3.58Å; W31-F125 AromaticContact CZ3-CZ 3.78Å; W31-F125 HydrophobicContact CZ3-CZ 3.78Å; E77-F125 HydrophobicContact CB-CD1 3.98Å; E77-F125 HydrophobicContact CB-CE1 4.08Å; E77-F125 HydrophobicContact CG-CD1 4.39Å; E77-F125 HydrophobicContact CG-CE1 4.31Å; A80-F125 HydrophobicContact CB-CE1 3.89Å; A80-F125 HydrophobicContact CB-CZ 3.63Å; Q81-F125 HydrophobicContact CB-CB 4.38Å; Q81-F125 HydrophobicContact CB-CD1 4.39Å; Q81-F125 HydrophobicContact CB-CD2 3.89Å; Q81-F125 HydrophobicContact CB-CE2 4.29Å; Q81-F125 HydrophobicContact CB-CG 3.96Å; Q81-F125 HydrophobicContact CG-CB 4.27Å; Q81-F125 HydrophobicContact CG-CD2 4.09Å; Q81-F125 HydrophobicContact CG-CG 4.26Å; L84-F125 HydrophobicContact CD1-CE2 3.57Å; L84-F125 HydrophobicContact CD1-CZ 3.93Å; L122-F125 HydrophobicContact CD2-CD2 4.34Å; L122-F125 WeakPolarHBondContact O-CD2 3.38Å; L122-F125 PolarHBondContact O-N 3.14Å; L122-F125 VanDerWaalsContact O-N 3.17Å; T123-F125 PolarHBondContact O-N 2.88Å
126G95.9Very high96.9Very high41 Ų4142.8 Ų42.842%0.42324%0.238SC..SBendtrans128.2-158.8-178.900000113.1T123T123-G126 WeakPolarHBondContact CA-O 3.41Å; T123-G126 PolarHBondContact O-N 3.09Å
127E96.1Very high96.8Very high195 Ų19549.3 Ų49.391%0.91127%0.266SS*.PPolyproline II helixtrans-74141.8-179.2-64-174.3169.700111.5
128L95.7Very high96.7Very high35 Ų3550.6 Ų50.618%0.18327%0.271CS..PPolyproline II helixtrans-74.9144.8176-56.1177.7000109.9M119 L122 T123 V132 A133M119-L128 WeakPolarHBondContact O-CD1 3.15Å; L122-L128 HydrophobicContact CB-CD2 3.46Å; L122-L128 VanDerWaalsContact CB-CD2 3.46Å; L122-L128 HydrophobicContact CD1-CD2 4.5Å; T123-L128 HydrophobicContact CG2-CD1 4.01Å; T123-L128 HydrophobicContact CG2-CD2 4.05Å; T123-L128 HydrophobicContact CG2-CG 3.89Å; L128-V132 HydrophobicContact CB-CB 4.4Å; L128-V132 HydrophobicContact CB-CG1 4.34Å; L128-V132 HydrophobicContact CD1-CG1 4.25Å; L128-V132 HydrophobicContact CD2-CG1 4.21Å; L128-V132 HydrophobicContact CG-CG1 4.49Å; L128-A133 HydrophobicContact CB-CB 4.25Å
129S95.7Very high96.6Very high67 Ų6750.6 Ų50.647%0.46927%0.271SS..PPolyproline II helixtrans-58.5152.1164.9660000110.6G131 V132 A133S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 3.19Å; S129-V132 PolarHBondContact O-N 2.6Å; S129-V132 VanDerWaalsContact O-N 3.08Å; S129-V132 VanDerWaalsContact OG-CG2 3.26Å; S129-V132 WeakPolarHBondContact OG-CG2 3.41Å; S129-A133 PolarHBondContact O-N 2.73Å
130E94.7Very high96.5Very high154 Ų15454.9 Ų54.972%0.7229%0.287SS*.Hα-helixtrans-52.1-48.7-178.2-175.7172.8-159.400112V132 A133 E134E130-V132 PolarHBondContact O-N 3.06Å; E130-A133 WeakPolarHBondContact O-CB 3.42Å; E130-A133 PolarHBondContact O-N 2.79Å; E130-A133 VanDerWaalsContact O-N 3.14Å; E130-E134 WeakPolarHBondContact O-CG 3.23Å; E130-E134 PolarHBondContact O-N 3.41Å
131G94.9Very high96.3Very high45 Ų4557.1 Ų57.146%0.46429%0.294SS..Hα-helixtrans-61.6-38.1178.500000114S129 M135S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 3.19Å; G131-M135 WeakPolarHBondContact O-CB 3.33Å; G131-M135 PolarHBondContact O-N 2.95Å
132V96.4Very high96.2Very high4 Ų457.1 Ų57.12%0.02429%0.294CS..Hα-helixtrans-71.2-37.7176176.30000110.6E85 M119 L122 L128 S129 E130 M135 R136E85-V132 HydrophobicContact CG-CG2 4.43Å; M119-V132 HydrophobicContact CB-CG1 4.25Å; M119-V132 HydrophobicContact CG-CG1 3.91Å; M119-V132 HydrophobicContact SD-CG1 4.34Å; L122-V132 HydrophobicContact CD1-CG1 4.16Å; L128-V132 HydrophobicContact CB-CB 4.4Å; L128-V132 HydrophobicContact CB-CG1 4.34Å; L128-V132 HydrophobicContact CD1-CG1 4.25Å; L128-V132 HydrophobicContact CD2-CG1 4.21Å; L128-V132 HydrophobicContact CG-CG1 4.49Å; S129-V132 PolarHBondContact O-N 2.6Å; S129-V132 VanDerWaalsContact O-N 3.08Å; S129-V132 VanDerWaalsContact OG-CG2 3.26Å; S129-V132 WeakPolarHBondContact OG-CG2 3.41Å; E130-V132 PolarHBondContact O-N 3.06Å; V132-M135 HydrophobicContact CB-CE 4.5Å; V132-M135 HydrophobicContact CG1-CE 4.41Å; V132-M135 HydrophobicContact CG2-CE 4.24Å; V132-M135 PolarHBondContact O-N 3.39Å; V132-R136 VanDerWaalsContact O-CB 3.28Å; V132-R136 WeakPolarHBondContact O-CB 3.27Å; V132-R136 PolarHBondContact O-N 3.36Å
133A96.4Very high96.1Very high21 Ų2156.9 Ų56.917%0.17429%0.293CS..Hα-helixtrans-64.8-40.117700000112.5L128 S129 E130 K137L128-A133 HydrophobicContact CB-CB 4.25Å; S129-A133 PolarHBondContact O-N 2.73Å; E130-A133 WeakPolarHBondContact O-CB 3.42Å; E130-A133 PolarHBondContact O-N 2.79Å; E130-A133 VanDerWaalsContact O-N 3.14Å; A133-K137 WeakPolarHBondContact O-CG 3.45Å; A133-K137 PolarHBondContact O-N 3.01Å
134E95.9Very high95.8Very high117 Ų11756.2 Ų56.255%0.54729%0.292SS..Hα-helixtrans-67.1-47.6173.7-70.5-173.8150.400112.1E130 R136 K137 Y138E130-E134 WeakPolarHBondContact O-CG 3.23Å; E130-E134 PolarHBondContact O-N 3.41Å; E134-R136 PolarHBondContact O-N 3.3Å; E134-K137 WeakPolarHBondContact O-CB 3.29Å; E134-K137 PolarHBondContact O-N 3.25Å; E134-K137 VanDerWaalsContact O-N 3.07Å; E134-Y138 PolarHBondContact O-N 3.33Å
135M96.2Very high95.7Very high28 Ų2856.8 Ų56.814%0.13829%0.291CS..Hα-helixtrans-56.4-41.2176.4-174.5176.347.100111.3K89 F92 M119 G131 V132 Y138 A139K89-M135 HydrophobicContact CG-CE 3.57Å; K89-M135 HydrophobicContact CG-SD 4.12Å; F92-M135 HydrophobicContact CB-CG 4.33Å; F92-M135 HydrophobicContact CB-SD 3.83Å; F92-M135 HydrophobicContact CD1-CG 3.9Å; F92-M135 HydrophobicContact CD1-SD 3.72Å; F92-M135 HydrophobicContact CD2-CG 3.26Å; F92-M135 HydrophobicContact CD2-SD 3.89Å; F92-M135 HydrophobicContact CE1-CG 3.98Å; F92-M135 HydrophobicContact CE1-SD 4.26Å; F92-M135 HydrophobicContact CE2-CB 4.37Å; F92-M135 HydrophobicContact CE2-CG 3.3Å; F92-M135 HydrophobicContact CE2-SD 4.37Å; F92-M135 HydrophobicContact CG-CG 3.56Å; F92-M135 HydrophobicContact CG-SD 3.52Å; F92-M135 VanDerWaalsContact CG-SD 3.52Å; F92-M135 HydrophobicContact CZ-CG 3.69Å; M119-M135 HydrophobicContact CE-CE 3.24Å; M119-M135 HydrophobicContact CE-CG 3.74Å; M119-M135 HydrophobicContact CE-SD 3.65Å; M119-M135 HydrophobicContact SD-CB 4.25Å; M119-M135 HydrophobicContact SD-CE 3.75Å; M119-M135 HydrophobicContact SD-CG 4.05Å; G131-M135 WeakPolarHBondContact O-CB 3.33Å; G131-M135 PolarHBondContact O-N 2.95Å; V132-M135 HydrophobicContact CB-CE 4.5Å; V132-M135 HydrophobicContact CG1-CE 4.41Å; V132-M135 HydrophobicContact CG2-CE 4.24Å; V132-M135 PolarHBondContact O-N 3.39Å; M135-Y138 PolarHBondContact O-N 3.43Å; M135-A139 VanDerWaalsContact O-CB 3.24Å; M135-A139 WeakPolarHBondContact O-CB 3.36Å; M135-A139 PolarHBondContact O-N 3.47Å
136R97.3Very high95.6Very high54 Ų5455.2 Ų55.220%0.20428%0.284CS..Hα-helixtrans-61.9-44.8174.8-176.2177.470.5159.8-14.8112.7M119 D120 V132 E134 R140M119-R136 HydrophobicContact CB-CB 3.85Å; M119-R136 HydrophobicContact CB-CG 3.81Å; M119-R136 HydrophobicContact CG-CB 4.41Å; M119-R136 VanDerWaalsContact SD-CA 3.56Å; M119-R136 HydrophobicContact SD-CB 3.71Å; M119-R136 HydrophobicContact SD-CG 4.45Å; M119-R136 PolarHBondContact SD-N 2.93Å; D120-R136 VanDerWaalsContact OD1-CD 3.29Å; D120-R136 WeakPolarHBondContact OD1-CD 3.28Å; D120-R136 IonicContact OD1-CZ 2.76Å; D120-R136 IonicContact OD1-NE 3.94Å; D120-R136 IonicContact OD1-NH1 3.43Å; D120-R136 PolarHBondContact OD1-NH1 2.92Å; V132-R136 VanDerWaalsContact O-CB 3.28Å; V132-R136 WeakPolarHBondContact O-CB 3.27Å; V132-R136 PolarHBondContact O-N 3.36Å; E134-R136 PolarHBondContact O-N 3.3Å; R136-R140 WeakPolarHBondContact O-CB 3.31Å; R136-R140 PolarHBondContact O-N 2.72Å; R136-R140 VanDerWaalsContact O-N 3.09Å
137K95.8Very high95.4Very high139 Ų13954 Ų5460%0.60427%0.268SS*.Hα-helixtrans-62.6-47.1177.1-72.3171.8-175.4173.40110.6A133 E134 R140 W141A133-K137 WeakPolarHBondContact O-CG 3.45Å; A133-K137 PolarHBondContact O-N 3.01Å; E134-K137 WeakPolarHBondContact O-CB 3.29Å; E134-K137 PolarHBondContact O-N 3.25Å; E134-K137 VanDerWaalsContact O-N 3.07Å; K137-R140 PolarHBondContact O-N 2.83Å; K137-W141 WeakPolarHBondContact O-CB 3.38Å; K137-W141 PolarHBondContact O-N 3.46Å
138Y96.2Very high95.2Very high44 Ų4445 Ų4517%0.17323%0.226CC..Hα-helixtrans-61.4-49.4177.8-179.6-93.7000111.5F92 F112 E134 M135 R140 W141 K142F92-Y138 AromaticContact CE2-CD1 3.6Å; F92-Y138 HydrophobicContact CE2-CD1 3.6Å; F92-Y138 HydrophobicContact CE2-CE1 4.31Å; F92-Y138 AromaticContact CZ-CD1 3.51Å; F92-Y138 HydrophobicContact CZ-CD1 3.51Å; F92-Y138 AromaticContact CZ-CE1 3.95Å; F92-Y138 HydrophobicContact CZ-CE1 3.95Å; F92-Y138 HydrophobicContact CZ-CG 4.43Å; F112-Y138 HydrophobicContact CE1-CD1 4.14Å; F112-Y138 AromaticContact CE1-CE1 3.82Å; F112-Y138 HydrophobicContact CE1-CE1 3.82Å; F112-Y138 AromaticContact CZ-CE1 3.99Å; F112-Y138 HydrophobicContact CZ-CE1 3.99Å; E134-Y138 PolarHBondContact O-N 3.33Å; M135-Y138 PolarHBondContact O-N 3.43Å; Y138-R140 VanDerWaalsContact C-N 3.33Å; Y138-R140 PolarHBondContact O-N 2.84Å; Y138-W141 HydrophobicContact CD2-CE3 4.07Å; Y138-W141 HydrophobicContact CD2-CZ3 4.11Å; Y138-W141 HydrophobicContact CE2-CE3 4.17Å; Y138-W141 AromaticContact CE2-CZ3 3.75Å; Y138-W141 HydrophobicContact CE2-CZ3 3.75Å; Y138-W141 PolarHBondContact O-N 2.82Å; Y138-K142 HydrophobicContact CD1-CB 4.38Å; Y138-K142 HydrophobicContact CE1-CB 4.18Å; Y138-K142 HydrophobicContact CE1-CG 4.27Å; Y138-K142 VanDerWaalsContact O-CB 3.24Å; Y138-K142 WeakPolarHBondContact O-CB 3.49Å; Y138-K142 PolarHBondContact O-N 3.19Å
139A97Very high95.1Very high0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-58.2-44.3-179.300000112.2F92 F112 A116 M135 A143F92-A139 HydrophobicContact CD2-CB 3.88Å; F92-A139 HydrophobicContact CE2-CB 3.95Å; F112-A139 HydrophobicContact CD1-CB 4Å; A116-A139 HydrophobicContact CB-CB 3.98Å; M135-A139 VanDerWaalsContact O-CB 3.24Å; M135-A139 WeakPolarHBondContact O-CB 3.36Å; M135-A139 PolarHBondContact O-N 3.47Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.39Å; A139-A143 PolarHBondContact O-N 3.25Å
140R95.6Very high94.9Very high90 Ų9044.3 Ų44.334%0.3422%0.216SC..Hα-helixtrans-63.1-48.9177.2-173.5176.8-63.9115.9-1.8111.8A116 D120 R136 K137 Y138 A144A116-R140 HydrophobicContact CB-CB 4.24Å; D120-R140 IonicContact OD1-NH2 2.71Å; D120-R140 PolarHBondContact OD1-NH2 2.78Å; D120-R140 IonicContact OD2-CZ 3.06Å; D120-R140 IonicContact OD2-NH2 2.68Å; D120-R140 PolarHBondContact OD2-NH2 3.28Å; R136-R140 WeakPolarHBondContact O-CB 3.31Å; R136-R140 PolarHBondContact O-N 2.72Å; R136-R140 VanDerWaalsContact O-N 3.09Å; K137-R140 PolarHBondContact O-N 2.83Å; Y138-R140 VanDerWaalsContact C-N 3.33Å; Y138-R140 PolarHBondContact O-N 2.84Å; R140-A144 PolarHBondContact O-N 3.49Å
141W94.8Very high94.8Very high56 Ų5643.2 Ų43.221%0.21221%0.209CC..Hα-helixtrans-62.3-47.5178.9165.880.1000111.4K137 Y138 A143 A144 Y145 M161K137-W141 WeakPolarHBondContact O-CB 3.38Å; K137-W141 PolarHBondContact O-N 3.46Å; Y138-W141 HydrophobicContact CD2-CE3 4.07Å; Y138-W141 HydrophobicContact CD2-CZ3 4.11Å; Y138-W141 HydrophobicContact CE2-CE3 4.17Å; Y138-W141 AromaticContact CE2-CZ3 3.75Å; Y138-W141 HydrophobicContact CE2-CZ3 3.75Å; Y138-W141 PolarHBondContact O-N 2.82Å; W141-A143 PolarHBondContact O-N 3.31Å; W141-A144 PolarHBondContact O-N 3.33Å; W141-Y145 HydrophobicContact CZ2-CG 4.38Å; W141-Y145 WeakPolarHBondContact O-CB 3.46Å; W141-Y145 PolarHBondContact O-N 2.9Å; W141-M161 HydrophobicContact CH2-CB 3.84Å; W141-M161 HydrophobicContact CH2-CE 3.24Å; W141-M161 HydrophobicContact CH2-CG 3.73Å; W141-M161 HydrophobicContact CH2-SD 4.29Å; W141-M161 HydrophobicContact CZ2-CE 3.23Å; W141-M161 HydrophobicContact CZ3-CB 4.33Å; W141-M161 HydrophobicContact CZ3-CG 4.45Å
142K95.7Very high94.6Very high0 Ų045 Ų450%021%0.206CC..Hα-helixtrans-66.6-38.7-177.6-166.373.2-169.7-153.50111.9D99 F112 Y138 Y145 L146 I157D99-K142 WeakPolarHBondContact OD1-CE 3.35Å; D99-K142 IonicContact OD1-NZ 2.62Å; D99-K142 PolarHBondContact OD1-NZ 2.96Å; D99-K142 WeakPolarHBondContact OD2-CE 3.48Å; D99-K142 IonicContact OD2-NZ 2.83Å; D99-K142 PolarHBondContact OD2-NZ 3.31Å; F112-K142 HydrophobicContact CD2-CB 4.34Å; F112-K142 HydrophobicContact CD2-CG 4Å; F112-K142 HydrophobicContact CE1-CG 4.48Å; F112-K142 HydrophobicContact CE2-CB 4.3Å; F112-K142 HydrophobicContact CE2-CG 3.6Å; F112-K142 HydrophobicContact CG-CB 4.49Å; F112-K142 HydrophobicContact CZ-CB 4.4Å; F112-K142 HydrophobicContact CZ-CG 3.87Å; Y138-K142 HydrophobicContact CD1-CB 4.38Å; Y138-K142 HydrophobicContact CE1-CB 4.18Å; Y138-K142 HydrophobicContact CE1-CG 4.27Å; Y138-K142 VanDerWaalsContact O-CB 3.24Å; Y138-K142 WeakPolarHBondContact O-CB 3.49Å; Y138-K142 PolarHBondContact O-N 3.19Å; K142-Y145 HydrophobicContact CD-CD1 4.22Å; K142-Y145 PolarHBondContact O-N 3.16Å; K142-L146 HydrophobicContact CG-CD1 4.15Å; K142-L146 HydrophobicContact CG-CG 4.26Å; K142-L146 WeakPolarHBondContact O-CB 3.4Å; K142-L146 VanDerWaalsContact O-CG 3.26Å; K142-L146 WeakPolarHBondContact O-CG 2.77Å; K142-L146 PolarHBondContact O-N 3.35Å; K142-I157 PolarHBondContact NZ-O 3.12Å
143A95.2Very high94.2Very high0 Ų048.2 Ų48.20%024%0.239CC..Hα-helixtrans-58.8-48.3173.600000111.9F112 H113 A139 W141 F147F112-A143 HydrophobicContact CB-CB 3.87Å; H113-A143 HydrophobicContact CB-CB 4.16Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.39Å; A139-A143 PolarHBondContact O-N 3.25Å; W141-A143 PolarHBondContact O-N 3.31Å; A143-F147 WeakPolarHBondContact O-CB 3.23Å; A143-F147 PolarHBondContact O-N 2.94Å; A143-F147 VanDerWaalsContact O-N 3.12Å
144A93.1Very high94Very high26 Ų2652.5 Ų52.522%0.21525%0.251CS..Hα-helixtrans-62.9-46.8177.200000111.6R140 W141 L146 F147 T148R140-A144 PolarHBondContact O-N 3.49Å; W141-A144 PolarHBondContact O-N 3.33Å; A144-L146 PolarHBondContact O-N 2.9Å; A144-F147 PolarHBondContact O-N 3.24Å; A144-T148 PolarHBondContact O-N 2.89Å; A144-T148 PolarHBondContact O-OG1 3.43Å
145Y93.8Very high93.7Very high38 Ų3853 Ų5315%0.14926%0.261CS..Hα-helixtrans-56.2-53.2177.1171.8-104.1000112.4W141 K142 F147 T148 C149 P156 I157W141-Y145 HydrophobicContact CZ2-CG 4.38Å; W141-Y145 WeakPolarHBondContact O-CB 3.46Å; W141-Y145 PolarHBondContact O-N 2.9Å; K142-Y145 HydrophobicContact CD-CD1 4.22Å; K142-Y145 PolarHBondContact O-N 3.16Å; Y145-F147 VanDerWaalsContact C-N 3.27Å; Y145-F147 PolarHBondContact O-N 3.44Å; Y145-T148 PolarHBondContact O-N 2.71Å; Y145-C149 PolarHBondContact O-N 3.47Å; Y145-C149 PolarHBondContact O-SG 3.06Å; Y145-C149 VanDerWaalsContact O-SG 3.38Å; Y145-P156 HydrophobicContact CE1-CB 3.81Å; Y145-I157 PolarHBondContact OH-N 3.22Å
146L94.4Very high93.5Very high5 Ų552.4 Ų52.43%0.02626%0.259CS..Hα-helixtrans-61.2-36.8-178.8-72.3179.4000112.2F104 V108 I109 F112 K142 A144 M150 P156F104-L146 HydrophobicContact CD1-CD2 3.71Å; F104-L146 HydrophobicContact CE1-CD2 4.02Å; V108-L146 HydrophobicContact CG1-CD1 3.78Å; I109-L146 HydrophobicContact CD1-CB 4.18Å; I109-L146 HydrophobicContact CG1-CB 3.65Å; I109-L146 HydrophobicContact CG1-CD1 4.4Å; F112-L146 HydrophobicContact CD2-CD1 3.93Å; F112-L146 HydrophobicContact CE2-CD1 3.96Å; K142-L146 HydrophobicContact CG-CD1 4.15Å; K142-L146 HydrophobicContact CG-CG 4.26Å; K142-L146 WeakPolarHBondContact O-CB 3.4Å; K142-L146 VanDerWaalsContact O-CG 3.26Å; K142-L146 WeakPolarHBondContact O-CG 2.77Å; K142-L146 PolarHBondContact O-N 3.35Å; A144-L146 PolarHBondContact O-N 2.9Å; L146-M150 WeakPolarHBondContact O-CB 3.4Å; L146-M150 PolarHBondContact O-N 2.94Å; L146-P156 HydrophobicContact CD2-CB 3.5Å; L146-P156 VanDerWaalsContact CD2-CB 3.5Å; L146-P156 HydrophobicContact CD2-CG 3.79Å
147F93.6Very high93.2Very high17 Ų1753.6 Ų53.68%0.07527%0.269CS..Hα-helixtrans-72.6-41.3176.5179.2-96.8000113.3I109 A143 A144 Y145 C149 M150 K151 E211 L214 E218I109-F147 HydrophobicContact CD1-CB 4.13Å; I109-F147 HydrophobicContact CG2-CB 4.2Å; A143-F147 WeakPolarHBondContact O-CB 3.23Å; A143-F147 PolarHBondContact O-N 2.94Å; A143-F147 VanDerWaalsContact O-N 3.12Å; A144-F147 PolarHBondContact O-N 3.24Å; Y145-F147 VanDerWaalsContact C-N 3.27Å; Y145-F147 PolarHBondContact O-N 3.44Å; F147-C149 VanDerWaalsContact C-N 3.31Å; F147-C149 PolarHBondContact O-N 2.61Å; F147-M150 HydrophobicContact CD2-CE 3.61Å; F147-M150 HydrophobicContact CE2-CE 4.03Å; F147-M150 PolarHBondContact O-N 3.49Å; F147-K151 HydrophobicContact CE1-CD 4.35Å; F147-K151 WeakPolarHBondContact O-CB 3.32Å; F147-K151 PolarHBondContact O-N 2.68Å; F147-E211 HydrophobicContact CE2-CB 3.96Å; F147-E211 HydrophobicContact CE2-CG 3.83Å; F147-E211 HydrophobicContact CZ-CB 4.21Å; F147-L214 HydrophobicContact CB-CD2 2.94Å; F147-L214 HydrophobicContact CB-CG 4.4Å; F147-L214 HydrophobicContact CD1-CB 4.27Å; F147-L214 HydrophobicContact CD1-CD2 3.38Å; F147-L214 HydrophobicContact CD1-CG 4.3Å; F147-L214 HydrophobicContact CD2-CD2 3.69Å; F147-L214 HydrophobicContact CE1-CB 4.25Å; F147-L214 HydrophobicContact CE1-CD2 4.16Å; F147-L214 HydrophobicContact CE2-CD2 4.47Å; F147-L214 HydrophobicContact CG-CB 4.4Å; F147-L214 HydrophobicContact CG-CD2 3.05Å; F147-L214 HydrophobicContact CG-CG 4.28Å; F147-L214 HydrophobicContact CZ-CB 4.43Å; F147-E218 VanDerWaalsContact CD1-OE1 3.31Å; F147-E218 WeakPolarHBondContact CD1-OE1 3.49Å
148T91.8Very high93Very high6 Ų648.7 Ų48.74%0.03725%0.251CS..Hα-helixtrans-56.8-48.6171.7-680000109.8A144 Y145 M150 K151 E152 L170 E218A144-T148 PolarHBondContact O-N 2.89Å; A144-T148 PolarHBondContact O-OG1 3.43Å; Y145-T148 PolarHBondContact O-N 2.71Å; T148-M150 VanDerWaalsContact C-N 3.31Å; T148-M150 PolarHBondContact O-N 3.33Å; T148-K151 PolarHBondContact O-N 2.79Å; T148-K151 VanDerWaalsContact O-N 3.16Å; T148-E152 HydrophobicContact CG2-CG 4.19Å; T148-E152 WeakPolarHBondContact CG2-OE1 3.24Å; T148-E152 WeakPolarHBondContact O-CB 3.3Å; T148-E152 WeakPolarHBondContact O-CG 3.33Å; T148-E152 PolarHBondContact O-N 3.44Å; T148-L170 HydrophobicContact CG2-CD2 3.74Å; T148-E218 PolarHBondContact N-OE1 3.42Å; T148-E218 PolarHBondContact OG1-OE1 3.38Å
149C93.3Very high92.5Very high8 Ų847.1 Ų47.15%0.05425%0.249CC..Hα-helixtrans-56.6-44.3176.1-70.70000112Y145 F147 E152 G153 R154 P156Y145-C149 PolarHBondContact O-N 3.47Å; Y145-C149 PolarHBondContact O-SG 3.06Å; Y145-C149 VanDerWaalsContact O-SG 3.38Å; F147-C149 VanDerWaalsContact C-N 3.31Å; F147-C149 PolarHBondContact O-N 2.61Å; C149-E152 PolarHBondContact O-N 3.07Å; C149-G153 WeakPolarHBondContact O-CA 3.31Å; C149-G153 PolarHBondContact O-N 3.22Å; C149-R154 HydrophobicContact CB-CB 4.42Å; C149-R154 PolarHBondContact O-N 3.04Å; C149-P156 HydrophobicContact CB-CB 4.22Å; C149-P156 HydrophobicContact CB-CG 3.73Å
150M91.9Very high91.7Very high78 Ų7851.4 Ų51.438%0.38428%0.276SS..Hα-helixtrans-64.4-39.2177.5-174.417966.100112.6K106 I109 L146 F147 T148K106-M150 HydrophobicContact CG-CE 4.12Å; K106-M150 HydrophobicContact CG-SD 3.75Å; I109-M150 HydrophobicContact CD1-CB 4.41Å; I109-M150 HydrophobicContact CD1-CE 3.71Å; I109-M150 HydrophobicContact CD1-SD 3.89Å; L146-M150 WeakPolarHBondContact O-CB 3.4Å; L146-M150 PolarHBondContact O-N 2.94Å; F147-M150 HydrophobicContact CD2-CE 3.61Å; F147-M150 HydrophobicContact CE2-CE 4.03Å; F147-M150 PolarHBondContact O-N 3.49Å; T148-M150 VanDerWaalsContact C-N 3.31Å; T148-M150 PolarHBondContact O-N 3.33Å
151K91Very high90.4Very high132 Ų13248.9 Ų48.957%0.57427%0.269SS*.Hα-helixtrans-70.8-36.3178.8-175.2175.9178.2176.40112F147 T148F147-K151 HydrophobicContact CE1-CD 4.35Å; F147-K151 WeakPolarHBondContact O-CB 3.32Å; F147-K151 PolarHBondContact O-N 2.68Å; T148-K151 PolarHBondContact O-N 2.79Å; T148-K151 VanDerWaalsContact O-N 3.16Å
152E91.7Very high88.6Confident83 Ų8350.2 Ų50.239%0.38829%0.292SS..Hα-helixtrans-92.3-6.2-177.5-64.2-177.7177.700113.6T148 C149 R154T148-E152 HydrophobicContact CG2-CG 4.19Å; T148-E152 WeakPolarHBondContact CG2-OE1 3.24Å; T148-E152 WeakPolarHBondContact O-CB 3.3Å; T148-E152 WeakPolarHBondContact O-CG 3.33Å; T148-E152 PolarHBondContact O-N 3.44Å; C149-E152 PolarHBondContact O-N 3.07Å; E152-R154 VanDerWaalsContact C-N 3.31Å; E152-R154 HydrophobicContact CB-CG 4.16Å; E152-R154 PolarHBondContact O-N 3.36Å; E152-R154 IonicContact OE2-CZ 2.68Å; E152-R154 IonicContact OE2-NE 3.92Å; E152-R154 PolarHBondContact OE2-NE 3.43Å; E152-R154 IonicContact OE2-NH2 3.68Å; E152-R154 PolarHBondContact OE2-NH2 2.76Å
153G88.7Confident86.6Confident70 Ų7055.9 Ų55.972%0.72232%0.322SS*.THydrogen-bonded Turntrans72.220.8-178.100000114.3C149C149-G153 WeakPolarHBondContact O-CA 3.31Å; C149-G153 PolarHBondContact O-N 3.22Å
154R90.9Very high84.3Confident112 Ų11260.1 Ų60.142%0.42335%0.352SS..PPolyproline II helixtrans-84.6146.4174.7-54.8-171.5-155.7-150.43.5110.3C149 E152 P156C149-R154 HydrophobicContact CB-CB 4.42Å; C149-R154 PolarHBondContact O-N 3.04Å; E152-R154 VanDerWaalsContact C-N 3.31Å; E152-R154 HydrophobicContact CB-CG 4.16Å; E152-R154 PolarHBondContact O-N 3.36Å; E152-R154 IonicContact OE2-CZ 2.68Å; E152-R154 IonicContact OE2-NE 3.92Å; E152-R154 PolarHBondContact OE2-NE 3.43Å; E152-R154 IonicContact OE2-NH2 3.68Å; E152-R154 PolarHBondContact OE2-NH2 2.76Å; R154-P156 WeakPolarHBondContact O-CD 3.39Å
155V89.3Confident82Confident127 Ų12766.8 Ų66.877%0.7738%0.378SS*.PPolyproline II helixtrans-77.2119.8171.3-177.50000108.4
156P91.6Very high79.7Confident15 Ų1569.8 Ų69.810%0.09739%0.394CS..PPolyproline II helixtrans-68149.8177.6-11.324.1000112.1F104 Y145 L146 C149 R154F104-P156 HydrophobicContact CB-CG 4.21Å; F104-P156 HydrophobicContact CD1-CB 4.17Å; F104-P156 HydrophobicContact CD1-CG 4.03Å; F104-P156 HydrophobicContact CD2-CB 4.34Å; F104-P156 HydrophobicContact CD2-CG 3.85Å; F104-P156 HydrophobicContact CE1-CB 4.03Å; F104-P156 HydrophobicContact CE1-CG 4.35Å; F104-P156 HydrophobicContact CE2-CB 4.18Å; F104-P156 HydrophobicContact CE2-CG 4.17Å; F104-P156 WeakPolarHBondContact CE2-O 3.44Å; F104-P156 HydrophobicContact CG-CB 4.31Å; F104-P156 HydrophobicContact CG-CG 3.75Å; F104-P156 HydrophobicContact CZ-CB 4Å; F104-P156 HydrophobicContact CZ-CG 4.4Å; F104-P156 WeakPolarHBondContact CZ-O 3.43Å; Y145-P156 HydrophobicContact CE1-CB 3.81Å; L146-P156 HydrophobicContact CD2-CB 3.5Å; L146-P156 VanDerWaalsContact CD2-CB 3.5Å; L146-P156 HydrophobicContact CD2-CG 3.79Å; C149-P156 HydrophobicContact CB-CB 4.22Å; C149-P156 HydrophobicContact CB-CG 3.73Å; R154-P156 WeakPolarHBondContact O-CD 3.39Å
157I91.9Very high77.4Confident80 Ų8076.2 Ų76.241%0.4142%0.422SS..PPolyproline II helixtrans-83.1124.5171.8-59.6172.2000108.9K142 Y145 M161K142-I157 PolarHBondContact NZ-O 3.12Å; Y145-I157 PolarHBondContact OH-N 3.22Å; I157-M161 HydrophobicContact CB-SD 4.36Å; I157-M161 HydrophobicContact CG2-SD 4.24Å
158P91.9Very high74.9Confident36 Ų3677.7 Ų77.723%0.23444%0.441CS..PPolyproline II helixtrans-58.4147174.4-22.932.5000112.5D99 E102 F104D99-P158 WeakPolarHBondContact O-CB 3.49Å; E102-P158 HydrophobicContact CB-CG 4.43Å; E102-P158 HydrophobicContact CG-CB 4.47Å; E102-P158 HydrophobicContact CG-CG 3.65Å; F104-P158 HydrophobicContact CZ-CG 3.96Å
159G85.5Confident72.3Confident11 Ų1182.4 Ų82.411%0.11347%0.466CS..SBendtrans-69168.9171.500000113.8D99D99-G159 WeakPolarHBondContact OD2-CA 3.28Å; D99-G159 PolarHBondContact OD2-N 3.48Å
160P79.5Confident69.9Low89 Ų8986.2 Ų86.258%0.57849%0.486SS*.PPolyproline II helixcis-84.5132.4-131.4-23.7000110.3R100R100-P160 VanDerWaalsContact NH1-CD 3.32Å
161M68.5Low67Low38 Ų3889 Ų8919%0.18750%0.498CS..PPolyproline II helixtrans-77.4130.5172.4-72.8-113-7700109.4W141 I157 E166W141-M161 HydrophobicContact CH2-CB 3.84Å; W141-M161 HydrophobicContact CH2-CE 3.24Å; W141-M161 HydrophobicContact CH2-CG 3.73Å; W141-M161 HydrophobicContact CH2-SD 4.29Å; W141-M161 HydrophobicContact CZ2-CE 3.23Å; W141-M161 HydrophobicContact CZ3-CB 4.33Å; W141-M161 HydrophobicContact CZ3-CG 4.45Å; I157-M161 HydrophobicContact CB-SD 4.36Å; I157-M161 HydrophobicContact CG2-SD 4.24Å; M161-E166 HydrophobicContact CE-CB 3.65Å; M161-E166 WeakPolarHBondContact CE-OE2 3.37Å; M161-E166 VanDerWaalsContact SD-OE2 3.37Å
162A58Low63.9Low84 Ų8485.7 Ų85.769%0.69450%0.501SS*.PPolyproline II helixtrans-57145.1175.100000109.8S164A162-S164 PolarHBondContact O-N 3.49Å
163D54Low60.7Low119 Ų11990.3 Ų90.364%0.63652%0.522SS*.SBendtrans-60.3-15.5-170.454.1-2.9000115.5K167D163-K167 PolarHBondContact O-NZ 3.37Å; D163-K167 VanDerWaalsContact O-NZ 3.14Å
164S45.9Very low57.6Low89 Ų8992.6 Ų92.662%0.62253%0.527SS*.SBendtrans-106.3-23.9-151.5-67.70000118.8A162A162-S164 PolarHBondContact O-N 3.49Å
165E44.7Very low54.4Low165 Ų16593.2 Ų93.277%0.77154%0.543SS*.SBendtrans-136.2-38.7-171.1-65.6-174.7170.200116.6K167E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 3.01Å
166E45.7Very low51.2Low102 Ų10295 Ų9548%0.47755%0.549SS..THydrogen-bonded Turntrans-842.6-174.4-68.9-167.2170.600115.5M161 G168M161-E166 HydrophobicContact CE-CB 3.65Å; M161-E166 WeakPolarHBondContact CE-OE2 3.37Å; M161-E166 VanDerWaalsContact SD-OE2 3.37Å; E166-G168 PolarHBondContact O-N 2.91Å
167K45.5Very low48.2Very low140 Ų14099 Ų9961%0.60958%0.583SS**THydrogen-bonded Turntrans-66.4-21.4171.7-74.8176.2-174.4151.70112.7D163 E165D163-K167 PolarHBondContact O-NZ 3.37Å; D163-K167 VanDerWaalsContact O-NZ 3.14Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 3.01Å
168G41Very low45Very low47 Ų4799.2 Ų99.249%0.48560%0.596SS.*SBendtrans-98.2-24-176.400000115.7E166 L170 K225E166-G168 PolarHBondContact O-N 2.91Å; G168-L170 PolarHBondContact O-N 3.04Å; G168-K225 PolarHBondContact O-NZ 3.44Å
169D38.9Very low41.8Very low105 Ų105104.4 Ų104.456%0.56162%0.623SS**  trans-108.670.5-166.2-69-40.7000112.9Q171D169-Q171 PolarHBondContact O-N 3.42Å
170L41.6Very low39Very low89 Ų89111.2 Ų111.247%0.46666%0.656SS.*SBendtrans-64.889.2142.9-76.7155.9000107.2T148 G168 K225T148-L170 HydrophobicContact CG2-CD2 3.74Å; G168-L170 PolarHBondContact O-N 3.04Å; L170-K225 PolarHBondContact O-NZ 3.29Å
171Q31Very low36.5Very low137 Ų137111.7 Ų111.764%0.6467%0.668SS**SBendtrans86.4100.5168.6-155.6157.324.300117.9D169D169-Q171 PolarHBondContact O-N 3.42Å
172G26.1Very low34.5Very low61 Ų61114.4 Ų114.463%0.62970%0.696SS**  trans-155.298.5165.100000112.4
173Q23.7Very low32.8Very low181 Ų181121.2 Ų121.285%0.84670%0.704SS**  trans69.1112.7159.6-74.6171.48.700120.9T175Q173-T175 PolarHBondContact O-N 2.93Å
174S23.9Very low31.6Very low118 Ų118121.4 Ų121.483%0.82571%0.712SS**  trans-48.7118.8146.3-40.10000110.4
175T24.3Very low30.7Very low124 Ų124121.1 Ų121.176%0.76171%0.71SS**  trans-127.8114.5149.1500000108.2Q173 A177Q173-T175 PolarHBondContact O-N 2.93Å; T175-A177 PolarHBondContact O-N 3.39Å
176D21.9Very low29.9Very low166 Ų166122 Ų12289%0.88871%0.711SS**  trans-56.6117.3168.8-64.5-62.9000109.8
177A28.1Very low29Very low97 Ų97123.5 Ų123.580%0.80272%0.722SS**  trans-153.898.4156.100000109.8T175T175-A177 PolarHBondContact O-N 3.39Å
178A25Very low28.1Very low85 Ų85125 Ų12570%0.70273%0.732SS**  trans-57.8167.8170.600000113.9
179N24.5Very low27.7Very low146 Ų146128 Ų12878%0.78175%0.751SS**  trans85.1116.1169.3-53.8-26.3000113.3
180N28.2Very low27.2Very low153 Ų153131.9 Ų131.982%0.81877%0.766SS**  cis-167.2147.445.4-114.4-32.5000111
181A25.4Very low26.6Very low100 Ų100136.5 Ų136.583%0.82679%0.786SS**  trans-60.5131.3168.900000111.6
182A27.5Very low26.4Very low95 Ų95134.2 Ų134.279%0.78579%0.79SS**  trans-147.992.8152.200000108.6P184A182-P184 WeakPolarHBondContact O-CD 3.47Å
183R23Very low26.6Very low226 Ų226139.1 Ų139.185%0.85380%0.801SS**  trans-78.6125.2165.6-179.6-177.1-169-126.65.8108.3
184P28.1Very low26.7Very low123 Ų123135.3 Ų135.380%0.79979%0.794SS**  trans-106.7130.9148.925.4-11.2000110.4A182A182-P184 WeakPolarHBondContact O-CD 3.47Å
185S27.1Very low27.5Very low83 Ų83135.8 Ų135.858%0.5879%0.794SS**  trans-62.5148169.1-74.20000112.6
186K27.1Very low27.7Very low184 Ų184138.8 Ų138.880%0.880%0.8SS**  trans34.4117.9136-70.3-177.9173.8-178.20117.9
187N27.3Very low28.2Very low134 Ų134139.9 Ų139.972%0.71779%0.791SS**  170141.399.2-94.1-24.2000113
188Q27.1Very low28.7Very low172 Ų172140.9 Ų140.980%0.80478%0.783SS**  trans66.688147.2-65.5173.421.200118.9
189A31.9Very low29.2Very low108 Ų108146 Ų14689%0.89379%0.793SS**  trans-130.761.8138.300000108.5Q191A189-Q191 PolarHBondContact O-N 3Å
190E28.7Very low30.4Very low188 Ų188141.3 Ų141.388%0.87977%0.771SS**  trans-94.377.2171.3-159.5156.6-173.800107.6
191Q28.6Very low31.4Very low186 Ų186135.5 Ų135.587%0.86974%0.74SS**  trans-128.786.9163.5-103.6-178.1-5.800108.9A189A189-Q191 PolarHBondContact O-N 3Å
192A27.1Very low31.9Very low89 Ų89137.6 Ų137.674%0.73674%0.737SS**  trans40.683.5142.400000117.4
193L29.3Very low33Very low163 Ų163135.9 Ų135.985%0.85372%0.72SS**  -113.4113.5129-100.594.3000108.3
194S25.9Very low34.2Very low101 Ų101129.7 Ų129.771%0.70671%0.711SS**  trans-47.4134.7174.3-37.40000110.7Q196S194-Q196 PolarHBondContact O-N 3.41Å
195P40.6Very low35.4Very low128 Ų128131.2 Ų131.283%0.83171%0.708SS**SBendtrans-75.722.3-172.529.1-33.9000115R197P195-R197 PolarHBondContact O-N 2.95Å
196Q30.3Very low36.8Very low187 Ų187127.9 Ų127.987%0.87468%0.684SS**THydrogen-bonded Turntrans-88.415.5-170.8-136.6175.8-8.700115.7S194S194-Q196 PolarHBondContact O-N 3.41Å
197R31Very low38.3Very low189 Ų189120 Ų12071%0.71365%0.652SS**THydrogen-bonded Turntrans-148.242.5172.6-147.9168.6-166.7-174.41.3116.6P195 S200P195-R197 PolarHBondContact O-N 2.95Å; R197-S200 PolarHBondContact O-OG 3.17Å
198N39Very low40.5Very low118 Ų118118.9 Ų118.963%0.63165%0.645SS**  trans-104.812.1169.8-89.80000114.9S200N198-S200 PolarHBondContact O-N 3.35Å
199E36Very low42.8Very low192 Ų192115.8 Ų115.890%0.89763%0.631SS**G310 helixtrans-694.8166.6-68.9-175.3119.800113.1L201E199-L201 PolarHBondContact O-N 3.33Å
200S50.1Low44.6Very low48 Ų48111.2 Ų111.234%0.33659%0.591SS.*G310 helixtrans-76.6-8.7-15841.60000117.1R24 R197 N198R24-S200 PolarHBondContact NH1-O 2.97Å; R197-S200 PolarHBondContact O-OG 3.17Å; N198-S200 PolarHBondContact O-N 3.35Å
201L48.7Very low46.9Very low32 Ų32104.8 Ų104.817%0.16856%0.561CS.*G310 helixtrans-124.20.6-171.8-74.7144.2000115.1F94 N107 K110 E199 S203F94-L201 HydrophobicContact CE1-CD1 4.17Å; F94-L201 HydrophobicContact CZ-CD1 4.41Å; N107-L201 HydrophobicContact CB-CB 4.18Å; N107-L201 HydrophobicContact CB-CD1 3.6Å; N107-L201 HydrophobicContact CB-CG 4.3Å; N107-L201 WeakPolarHBondContact OD1-CB 3.17Å; K110-L201 HydrophobicContact CB-CD2 3.7Å; K110-L201 HydrophobicContact CD-CD2 3.91Å; K110-L201 PolarHBondContact NZ-O 2.92Å; K110-L201 VanDerWaalsContact NZ-O 3.09Å; E199-L201 PolarHBondContact O-N 3.33Å; L201-S203 PolarHBondContact O-N 2.9Å
202N35.2Very low49.4Very low143 Ų143103.7 Ų103.777%0.76555%0.553SS**  trans-99.234.8-162.9-134.325.2000115.6
203S50.9Low51.8Low60 Ų60100 Ų10042%0.4252%0.522SS..  trans-82.4119.2164.21740000109.7L201 Q205 S206 T207L201-S203 PolarHBondContact O-N 2.9Å; S203-Q205 VanDerWaalsContact C-N 3.32Å; S203-Q205 PolarHBondContact O-N 2.91Å; S203-S206 WeakPolarHBondContact O-CB 3.3Å; S203-S206 PolarHBondContact O-N 3.3Å; S203-T207 PolarHBondContact O-N 3.01Å; S203-T207 PolarHBondContact O-OG1 2.96Å
204S49Very low54.1Low95 Ų9592.6 Ų92.666%0.66448%0.483SS*.Hα-helixtrans-64.5-33.1178.538.10000112.8T207S204-T207 PolarHBondContact O-N 3.13Å
205Q51.7Low56.8Low156 Ų15689 Ų8973%0.72946%0.458SS*.Hα-helixtrans-66.8-43.7174.9-75178.6-28.600112.3S203 T207 N208S203-Q205 VanDerWaalsContact C-N 3.32Å; S203-Q205 PolarHBondContact O-N 2.91Å; Q205-T207 VanDerWaalsContact C-N 3.27Å; Q205-T207 PolarHBondContact O-N 3.23Å; Q205-N208 PolarHBondContact O-N 3.38Å
206S58Low58.7Low12 Ų1286.5 Ų86.58%0.08443%0.432CS..Hα-helixtrans-58.2-38.6176.7154.70000112.5E20 S203 N208 E209 Y210E20-S206 WeakPolarHBondContact OE1-CB 3.33Å; E20-S206 PolarHBondContact OE1-OG 3.44Å; S203-S206 WeakPolarHBondContact O-CB 3.3Å; S203-S206 PolarHBondContact O-N 3.3Å; S206-N208 PolarHBondContact O-N 2.98Å; S206-E209 PolarHBondContact O-N 2.89Å; S206-Y210 VanDerWaalsContact O-CD2 3.28Å; S206-Y210 WeakPolarHBondContact O-CD2 3.2Å; S206-Y210 PolarHBondContact O-N 2.95Å; S206-Y210 VanDerWaalsContact O-N 3.08Å; S206-Y210 WeakPolarHBondContact OG-CD2 3.39Å; S206-Y210 WeakPolarHBondContact OG-CE2 3.24Å
207T58Low61.2Low19 Ų1979.9 Ų79.912%0.11741%0.406CS..Hα-helixtrans-61.7-48.6-175.8-48.90000111.7K106 K110 S203 S204 Q205 E209 Y210 E211K106-T207 HydrophobicContact CD-CG2 3.8Å; K110-T207 PolarHBondContact NZ-OG1 3.41Å; S203-T207 PolarHBondContact O-N 3.01Å; S203-T207 PolarHBondContact O-OG1 2.96Å; S204-T207 PolarHBondContact O-N 3.13Å; Q205-T207 VanDerWaalsContact C-N 3.27Å; Q205-T207 PolarHBondContact O-N 3.23Å; T207-E209 VanDerWaalsContact C-N 3.33Å; T207-E209 PolarHBondContact O-N 3.45Å; T207-Y210 PolarHBondContact O-N 3.39Å; T207-E211 HydrophobicContact CG2-CG 4.48Å; T207-E211 VanDerWaalsContact O-CG 3.23Å; T207-E211 WeakPolarHBondContact O-CG 3.23Å; T207-E211 PolarHBondContact O-N 2.82Å
208N73.6Confident63.6Low110 Ų11071.4 Ų71.459%0.58838%0.375SS*.Hα-helixtrans-64.8-36.1-178.2-70.1-17.7000112.7Q205 S206 K212Q205-N208 PolarHBondContact O-N 3.38Å; S206-N208 PolarHBondContact O-N 2.98Å; N208-K212 WeakPolarHBondContact O-CB 3.26Å; N208-K212 PolarHBondContact O-N 3.44Å
209E74.5Confident65.9Low107 Ų10769 Ų6950%0.536%0.36SS..Hα-helixtrans-72.8-37.8179.8-64.6-167.5140.200112.4I16 S206 T207 K212 S213I16-E209 HydrophobicContact CD1-CB 3.65Å; I16-E209 HydrophobicContact CG1-CB 4.27Å; S206-E209 PolarHBondContact O-N 2.89Å; T207-E209 VanDerWaalsContact C-N 3.33Å; T207-E209 PolarHBondContact O-N 3.45Å; E209-K212 PolarHBondContact O-N 3.41Å; E209-S213 WeakPolarHBondContact O-CB 3.25Å; E209-S213 PolarHBondContact O-N 3.34Å
210Y70.3Confident68.3Low13 Ų1364.8 Ų64.85%0.05134%0.339CS..Hα-helixtrans-62.5-45170.6-85.7-61.8000112I16 E20 K110 H113 S206 T207 K212 S213 L214I16-Y210 HydrophobicContact CG2-CE2 4.22Å; E20-Y210 WeakPolarHBondContact OE1-CE2 3.41Å; E20-Y210 VanDerWaalsContact OE2-CE2 3.28Å; E20-Y210 WeakPolarHBondContact OE2-CE2 3.16Å; E20-Y210 PolarHBondContact OE2-OH 2.93Å; K110-Y210 HydrophobicContact CD-CD2 4.14Å; K110-Y210 HydrophobicContact CD-CE2 4.49Å; K110-Y210 HydrophobicContact CG-CD2 4.05Å; K110-Y210 HydrophobicContact CG-CE2 4.48Å; K110-Y210 HydrophobicContact CG-CG 4.37Å; H113-Y210 AromaticContact CE1-CD1 3.81Å; H113-Y210 AromaticContact CE1-CE1 3.99Å; H113-Y210 AromaticContact ND1-CD1 3.45Å; H113-Y210 WeakPolarHBondContact ND1-CD1 3.23Å; H113-Y210 AromaticContact ND1-CE1 3.42Å; H113-Y210 WeakPolarHBondContact ND1-CE1 3.43Å; S206-Y210 VanDerWaalsContact O-CD2 3.28Å; S206-Y210 WeakPolarHBondContact O-CD2 3.2Å; S206-Y210 PolarHBondContact O-N 2.95Å; S206-Y210 VanDerWaalsContact O-N 3.08Å; S206-Y210 WeakPolarHBondContact OG-CD2 3.39Å; S206-Y210 WeakPolarHBondContact OG-CE2 3.24Å; T207-Y210 PolarHBondContact O-N 3.39Å; Y210-K212 VanDerWaalsContact C-N 3.28Å; Y210-K212 PolarHBondContact O-N 3.48Å; Y210-S213 WeakPolarHBondContact O-CB 3.41Å; Y210-S213 PolarHBondContact O-N 3.35Å; Y210-L214 WeakPolarHBondContact O-CB 3.43Å; Y210-L214 PolarHBondContact O-N 2.94Å
211E76.4Confident70Confident52 Ų5265.5 Ų65.524%0.24334%0.344CS..Hα-helixtrans-61.4-39.4177.9-66.6180175.900111.2K106 F147 T207 L214 S215K106-E211 VanDerWaalsContact CE-OE1 3.29Å; K106-E211 WeakPolarHBondContact CE-OE1 3.46Å; K106-E211 IonicContact NZ-OE1 3.8Å; K106-E211 PolarHBondContact NZ-OE1 3.1Å; F147-E211 HydrophobicContact CE2-CB 3.96Å; F147-E211 HydrophobicContact CE2-CG 3.83Å; F147-E211 HydrophobicContact CZ-CB 4.21Å; T207-E211 HydrophobicContact CG2-CG 4.48Å; T207-E211 VanDerWaalsContact O-CG 3.23Å; T207-E211 WeakPolarHBondContact O-CG 3.23Å; T207-E211 PolarHBondContact O-N 2.82Å; E211-L214 PolarHBondContact O-N 3.08Å; E211-S215 WeakPolarHBondContact O-CB 3.27Å; E211-S215 PolarHBondContact O-N 3.34Å
212K81.5Confident71.9Confident163 Ų16367.5 Ų67.571%0.70935%0.351SS*.Hα-helixtrans-66-44.2174.1-174.2177.2-177.5176.40112.5N208 E209 Y210 L214 S215 R216N208-K212 WeakPolarHBondContact O-CB 3.26Å; N208-K212 PolarHBondContact O-N 3.44Å; E209-K212 PolarHBondContact O-N 3.41Å; Y210-K212 VanDerWaalsContact C-N 3.28Å; Y210-K212 PolarHBondContact O-N 3.48Å; K212-L214 VanDerWaalsContact C-N 3.27Å; K212-L214 PolarHBondContact O-N 2.96Å; K212-S215 PolarHBondContact O-N 3.48Å; K212-R216 WeakPolarHBondContact O-CB 3.36Å; K212-R216 PolarHBondContact O-N 2.97Å
213S77.3Confident74.6Confident12 Ų1260.9 Ų60.98%0.08432%0.317CS..Hα-helixtrans-58.1-42.9174.2171.50000111.2P13 E209 Y210 R216 S217P13-S213 VanDerWaalsContact CG-OG 3.23Å; P13-S213 WeakPolarHBondContact CG-OG 3.37Å; E209-S213 WeakPolarHBondContact O-CB 3.25Å; E209-S213 PolarHBondContact O-N 3.34Å; Y210-S213 WeakPolarHBondContact O-CB 3.41Å; Y210-S213 PolarHBondContact O-N 3.35Å; S213-R216 PolarHBondContact O-N 3.5Å; S213-S217 PolarHBondContact O-N 3.09Å
214L78.2Confident76.6Confident8 Ų863.7 Ų63.74%0.04232%0.323CS..Hα-helixtrans-71.5-43.1-178.6-140.788.9000112.2I109 H113 F147 Y210 E211 K212 R216 S217 E218I109-L214 HydrophobicContact CG2-CD2 4.27Å; H113-L214 WeakPolarHBondContact CD2-CD1 3.38Å; F147-L214 HydrophobicContact CB-CD2 2.94Å; F147-L214 HydrophobicContact CB-CG 4.4Å; F147-L214 HydrophobicContact CD1-CB 4.27Å; F147-L214 HydrophobicContact CD1-CD2 3.38Å; F147-L214 HydrophobicContact CD1-CG 4.3Å; F147-L214 HydrophobicContact CD2-CD2 3.69Å; F147-L214 HydrophobicContact CE1-CB 4.25Å; F147-L214 HydrophobicContact CE1-CD2 4.16Å; F147-L214 HydrophobicContact CE2-CD2 4.47Å; F147-L214 HydrophobicContact CG-CB 4.4Å; F147-L214 HydrophobicContact CG-CD2 3.05Å; F147-L214 HydrophobicContact CG-CG 4.28Å; F147-L214 HydrophobicContact CZ-CB 4.43Å; Y210-L214 WeakPolarHBondContact O-CB 3.43Å; Y210-L214 PolarHBondContact O-N 2.94Å; E211-L214 PolarHBondContact O-N 3.08Å; K212-L214 VanDerWaalsContact C-N 3.27Å; K212-L214 PolarHBondContact O-N 2.96Å; L214-R216 PolarHBondContact O-N 3.29Å; L214-S217 PolarHBondContact O-N 2.96Å; L214-S217 VanDerWaalsContact O-N 3.09Å; L214-E218 WeakPolarHBondContact O-CG 3.45Å; L214-E218 PolarHBondContact O-N 2.89Å
215S82Confident78.6Confident26 Ų2661.6 Ų61.618%0.18230%0.302CS..Hα-helixtrans-53.3-45.3171.6-168.70000110.5E211 K212 E218 E219E211-S215 WeakPolarHBondContact O-CB 3.27Å; E211-S215 PolarHBondContact O-N 3.34Å; K212-S215 PolarHBondContact O-N 3.48Å; S215-E218 PolarHBondContact O-N 3.4Å; S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 VanDerWaalsContact O-CD 3.29Å; S215-E219 WeakPolarHBondContact O-CG 3.39Å; S215-E219 PolarHBondContact O-N 2.89Å; S215-E219 PolarHBondContact OG-OE1 3.32Å
216R82.1Confident80.8Confident75 Ų7556.8 Ų56.828%0.28328%0.279SS..Hα-helixtrans-62.5-45.9176.4-174.9175.4175138.61.9112K212 S213 L214 E218 E219 F220K212-R216 WeakPolarHBondContact O-CB 3.36Å; K212-R216 PolarHBondContact O-N 2.97Å; S213-R216 PolarHBondContact O-N 3.5Å; L214-R216 PolarHBondContact O-N 3.29Å; R216-E218 VanDerWaalsContact C-N 3.3Å; R216-E218 PolarHBondContact O-N 3.06Å; R216-E219 WeakPolarHBondContact O-CB 3.29Å; R216-E219 PolarHBondContact O-N 3.24Å; R216-F220 HydrophobicContact CG-CD2 3.94Å; R216-F220 HydrophobicContact CG-CE2 3.68Å; R216-F220 WeakPolarHBondContact O-CD2 3.47Å; R216-F220 PolarHBondContact O-N 3.48Å
217S81.1Confident82.6Confident47 Ų4759 Ų5933%0.32929%0.293SS..Hα-helixtrans-61.9-36.9177.3-172.10000112.6S213 L214 S221S213-S217 PolarHBondContact O-N 3.09Å; L214-S217 PolarHBondContact O-N 2.96Å; L214-S217 VanDerWaalsContact O-N 3.09Å; S217-S221 PolarHBondContact O-N 2.78Å; S217-S221 VanDerWaalsContact O-N 3.1Å; S217-S221 PolarHBondContact O-OG 3.25Å
218E82.3Confident84.4Confident11 Ų1163.9 Ų63.95%0.05131%0.313CS..Hα-helixtrans-68.8-41.5174.6-72.6-178.5162.500111.9F147 T148 L214 S215 R216 F220 S221 K222F147-E218 VanDerWaalsContact CD1-OE1 3.31Å; F147-E218 WeakPolarHBondContact CD1-OE1 3.49Å; T148-E218 PolarHBondContact N-OE1 3.42Å; T148-E218 PolarHBondContact OG1-OE1 3.38Å; L214-E218 WeakPolarHBondContact O-CG 3.45Å; L214-E218 PolarHBondContact O-N 2.89Å; S215-E218 PolarHBondContact O-N 3.4Å; R216-E218 VanDerWaalsContact C-N 3.3Å; R216-E218 PolarHBondContact O-N 3.06Å; E218-F220 VanDerWaalsContact C-N 3.35Å; E218-F220 PolarHBondContact O-N 3.33Å; E218-S221 PolarHBondContact O-N 2.66Å; E218-K222 WeakPolarHBondContact O-CB 3.49Å; E218-K222 WeakPolarHBondContact O-CG 3.27Å; E218-K222 PolarHBondContact O-N 3.03Å
219E86.7Confident85.5Confident67 Ų6763.6 Ų63.631%0.31330%0.304SS..Hα-helixtrans-57.5-46.7174.8-73.9154.4-155.200110.9S215 R216 S221 K222 A223 L252S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 VanDerWaalsContact O-CD 3.29Å; S215-E219 WeakPolarHBondContact O-CG 3.39Å; S215-E219 PolarHBondContact O-N 2.89Å; S215-E219 PolarHBondContact OG-OE1 3.32Å; R216-E219 WeakPolarHBondContact O-CB 3.29Å; R216-E219 PolarHBondContact O-N 3.24Å; E219-S221 PolarHBondContact O-N 2.9Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-A223 VanDerWaalsContact O-CB 3.31Å; E219-A223 WeakPolarHBondContact O-CB 3.42Å; E219-A223 PolarHBondContact O-N 3.02Å; E219-L252 HydrophobicContact CB-CD1 4.36Å; E219-L252 HydrophobicContact CB-CD2 4.49Å; E219-L252 HydrophobicContact CB-CG 4.15Å; E219-L252 HydrophobicContact CG-CD1 3.95Å; E219-L252 HydrophobicContact CG-CG 4.28Å; E219-L252 WeakPolarHBondContact O-CD2 3.43Å
220F87Confident86.6Confident104 Ų10458.6 Ų58.646%0.45628%0.282SS..Hα-helixtrans-62.7-41.7175-81.9-74000112.7R216 E218 A223 Q224 L253R216-F220 HydrophobicContact CG-CD2 3.94Å; R216-F220 HydrophobicContact CG-CE2 3.68Å; R216-F220 WeakPolarHBondContact O-CD2 3.47Å; R216-F220 PolarHBondContact O-N 3.48Å; E218-F220 VanDerWaalsContact C-N 3.35Å; E218-F220 PolarHBondContact O-N 3.33Å; F220-A223 PolarHBondContact O-N 3.21Å; F220-Q224 WeakPolarHBondContact O-CB 3.39Å; F220-Q224 PolarHBondContact O-N 3.43Å; F220-L253 HydrophobicContact CD1-CD2 3.89Å; F220-L253 HydrophobicContact CE1-CD2 3.77Å; F220-L253 HydrophobicContact CZ-CD2 4.43Å
221S85.6Confident87.8Confident64 Ų6462.7 Ų62.745%0.44830%0.303SS..Hα-helixtrans-66.8-40.8-180-57.30000111.9S217 E218 E219 Q224 K225S217-S221 PolarHBondContact O-N 2.78Å; S217-S221 VanDerWaalsContact O-N 3.1Å; S217-S221 PolarHBondContact O-OG 3.25Å; E218-S221 PolarHBondContact O-N 2.66Å; E219-S221 PolarHBondContact O-N 2.9Å; S221-Q224 PolarHBondContact O-N 2.97Å; S221-K225 PolarHBondContact O-N 2.76Å
222K88.7Confident88.8Confident74 Ų7462.9 Ų62.932%0.32231%0.31SS..Hα-helixtrans-66.5-43.3174.6-76.5175.7-1781790111.4E218 E219 Q224 K225 F226 L252E218-K222 WeakPolarHBondContact O-CB 3.49Å; E218-K222 WeakPolarHBondContact O-CG 3.27Å; E218-K222 PolarHBondContact O-N 3.03Å; E219-K222 PolarHBondContact O-N 3.44Å; K222-Q224 VanDerWaalsContact C-N 3.35Å; K222-Q224 PolarHBondContact O-N 3.3Å; K222-K225 WeakPolarHBondContact O-CB 3.25Å; K222-K225 PolarHBondContact O-N 2.99Å; K222-K225 VanDerWaalsContact O-N 3.15Å; K222-F226 VanDerWaalsContact O-CD2 3.28Å; K222-F226 WeakPolarHBondContact O-CD2 3.22Å; K222-F226 PolarHBondContact O-N 3.44Å; K222-L252 HydrophobicContact CB-CD2 3.46Å; K222-L252 VanDerWaalsContact CB-CD2 3.46Å
223A92.5Very high89.5Confident4 Ų455.6 Ų55.63%0.03328%0.28CS..Hα-helixtrans-60.1-45.4175.400000111.3E219 F220 K225 F226 C227 L252 L253E219-A223 VanDerWaalsContact O-CB 3.31Å; E219-A223 WeakPolarHBondContact O-CB 3.42Å; E219-A223 PolarHBondContact O-N 3.02Å; F220-A223 PolarHBondContact O-N 3.21Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 PolarHBondContact O-N 2.92Å; A223-F226 PolarHBondContact O-N 2.94Å; A223-C227 PolarHBondContact O-N 2.9Å; A223-C227 PolarHBondContact O-SG 3.49Å; A223-L252 HydrophobicContact CB-CD2 4.21Å; A223-L253 HydrophobicContact CB-CD1 4.15Å; A223-L253 HydrophobicContact CB-CD2 3.8Å; A223-L253 HydrophobicContact CB-CG 3.8Å
224Q91.7Very high90.4Very high119 Ų11960 Ų6056%0.55630%0.302SS*.Hα-helixtrans-60.2-38.3175.6-172.4-178.2-12.300112.1F220 S221 K222 C227 K228F220-Q224 WeakPolarHBondContact O-CB 3.39Å; F220-Q224 PolarHBondContact O-N 3.43Å; S221-Q224 PolarHBondContact O-N 2.97Å; K222-Q224 VanDerWaalsContact C-N 3.35Å; K222-Q224 PolarHBondContact O-N 3.3Å; Q224-C227 PolarHBondContact O-N 3.43Å; Q224-K228 WeakPolarHBondContact O-CG 3.45Å; Q224-K228 PolarHBondContact O-N 3.44Å
225K92Very high91.2Very high50 Ų5066 Ų6622%0.21733%0.33CS..Hα-helixtrans-64.2-47.4175.7-174.7170.8178.8168.90111.6G168 L170 S221 K222 A223 C227 K228 Y229G168-K225 PolarHBondContact O-NZ 3.44Å; L170-K225 PolarHBondContact O-NZ 3.29Å; S221-K225 PolarHBondContact O-N 2.76Å; K222-K225 WeakPolarHBondContact O-CB 3.25Å; K222-K225 PolarHBondContact O-N 2.99Å; K222-K225 VanDerWaalsContact O-N 3.15Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 PolarHBondContact O-N 2.92Å; K225-C227 VanDerWaalsContact C-N 3.31Å; K225-C227 PolarHBondContact O-N 3.48Å; K225-K228 WeakPolarHBondContact O-CB 3.28Å; K225-K228 PolarHBondContact O-N 3.44Å; K225-K228 VanDerWaalsContact O-N 3.09Å; K225-Y229 HydrophobicContact CD-CE2 4.21Å; K225-Y229 WeakPolarHBondContact CE-OH 3.5Å; K225-Y229 HydrophobicContact CG-CD2 4.27Å; K225-Y229 HydrophobicContact CG-CE1 4.37Å; K225-Y229 HydrophobicContact CG-CE2 3.72Å; K225-Y229 PolarHBondContact NZ-OH 3.48Å; K225-Y229 PolarHBondContact O-N 3.44Å
226F96.4Very high91.9Very high56 Ų5674 Ų7425%0.24636%0.358CS..Hα-helixtrans-59.3-41174-72.2-50.3000112.2K222 A223 K228 Y229 A230 N245 K248 A249 L252K222-F226 VanDerWaalsContact O-CD2 3.28Å; K222-F226 WeakPolarHBondContact O-CD2 3.22Å; K222-F226 PolarHBondContact O-N 3.44Å; A223-F226 PolarHBondContact O-N 2.94Å; F226-K228 VanDerWaalsContact C-N 3.33Å; F226-K228 PolarHBondContact O-N 3.03Å; F226-Y229 HydrophobicContact CD1-CD2 4.46Å; F226-Y229 PolarHBondContact O-N 3.47Å; F226-A230 PolarHBondContact O-N 3.35Å; F226-N245 WeakPolarHBondContact CB-O 3.48Å; F226-N245 WeakPolarHBondContact CD1-OD1 3.39Å; F226-N245 WeakPolarHBondContact O-CB 3.21Å; F226-K248 HydrophobicContact CD1-CB 4.13Å; F226-K248 HydrophobicContact CD1-CD 4.27Å; F226-K248 HydrophobicContact CD2-CB 3.97Å; F226-K248 HydrophobicContact CE1-CB 4.14Å; F226-K248 HydrophobicContact CE1-CD 3.83Å; F226-K248 HydrophobicContact CE2-CB 3.96Å; F226-K248 HydrophobicContact CG-CB 4.06Å; F226-K248 HydrophobicContact CZ-CB 4.06Å; F226-K248 HydrophobicContact CZ-CD 4.18Å; F226-A249 HydrophobicContact CB-CB 3.79Å; F226-L252 HydrophobicContact CE2-CD2 4.48Å
227C96.8Very high92.5Very high58 Ų5878.6 Ų78.639%0.39238%0.383SS..Hα-helixtrans-61.1-39.6173.7-65.70000112.6A223 Q224 K225 A230 I231A223-C227 PolarHBondContact O-N 2.9Å; A223-C227 PolarHBondContact O-SG 3.49Å; Q224-C227 PolarHBondContact O-N 3.43Å; K225-C227 VanDerWaalsContact C-N 3.31Å; K225-C227 PolarHBondContact O-N 3.48Å; C227-A230 PolarHBondContact O-N 2.91Å; C227-I231 WeakPolarHBondContact O-CG1 3.26Å; C227-I231 PolarHBondContact O-N 3.37Å
228K95.6Very high93.2Very high121 Ų12179.4 Ų79.453%0.52638%0.383SS..Hα-helixtrans-63.7-42.8174.6-71.3175.9-179.4-178.30112Q224 K225 F226 A230 I231 S232Q224-K228 WeakPolarHBondContact O-CG 3.45Å; Q224-K228 PolarHBondContact O-N 3.44Å; K225-K228 WeakPolarHBondContact O-CB 3.28Å; K225-K228 PolarHBondContact O-N 3.44Å; K225-K228 VanDerWaalsContact O-N 3.09Å; F226-K228 VanDerWaalsContact C-N 3.33Å; F226-K228 PolarHBondContact O-N 3.03Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-A230 PolarHBondContact O-N 3.47Å; K228-I231 WeakPolarHBondContact O-CB 3.3Å; K228-I231 PolarHBondContact O-N 3.05Å; K228-S232 PolarHBondContact O-N 3.01Å; K228-S232 PolarHBondContact O-OG 3.25Å
229Y97.2Very high93.9Very high104 Ų10482.9 Ų82.941%0.40841%0.405SS..Hα-helixtrans-64.4-37.4176.1-65-22.7000112.7K225 F226 I231 S232 A233K225-Y229 HydrophobicContact CD-CE2 4.21Å; K225-Y229 WeakPolarHBondContact CE-OH 3.5Å; K225-Y229 HydrophobicContact CG-CD2 4.27Å; K225-Y229 HydrophobicContact CG-CE1 4.37Å; K225-Y229 HydrophobicContact CG-CE2 3.72Å; K225-Y229 PolarHBondContact NZ-OH 3.48Å; K225-Y229 PolarHBondContact O-N 3.44Å; F226-Y229 HydrophobicContact CD1-CD2 4.46Å; F226-Y229 PolarHBondContact O-N 3.47Å; Y229-I231 VanDerWaalsContact C-N 3.35Å; Y229-S232 PolarHBondContact O-N 2.86Å; Y229-A233 WeakPolarHBondContact O-CB 3.47Å; Y229-A233 PolarHBondContact O-N 2.97Å
230A96.4Very high94.4Very high3 Ų386 Ų863%0.02542%0.424CS..Hα-helixtrans-62.2-43.1172.300000111.8F226 C227 K228 A233 L234 N245 I246F226-A230 PolarHBondContact O-N 3.35Å; C227-A230 PolarHBondContact O-N 2.91Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-A230 PolarHBondContact O-N 3.47Å; A230-A233 PolarHBondContact O-N 3.42Å; A230-L234 VanDerWaalsContact O-CG 3.29Å; A230-L234 WeakPolarHBondContact O-CG 3.48Å; A230-L234 PolarHBondContact O-N 3.36Å; A230-N245 HydrophobicContact CB-CB 3.95Å; A230-I246 HydrophobicContact CB-CD1 4.21Å; A230-I246 HydrophobicContact CB-CG1 3.63Å
231I96.9Very high94.8Very high99 Ų9983.7 Ų83.751%0.50842%0.418SS..Hα-helixtrans-60.2-49.1175.9-67.8164.4000110.5C227 K228 Y229 A233 L234 E235C227-I231 WeakPolarHBondContact O-CG1 3.26Å; C227-I231 PolarHBondContact O-N 3.37Å; K228-I231 WeakPolarHBondContact O-CB 3.3Å; K228-I231 PolarHBondContact O-N 3.05Å; Y229-I231 VanDerWaalsContact C-N 3.35Å; I231-A233 VanDerWaalsContact C-N 3.34Å; I231-A233 PolarHBondContact O-N 2.91Å; I231-L234 WeakPolarHBondContact O-CB 3.39Å; I231-L234 PolarHBondContact O-N 2.8Å; I231-E235 PolarHBondContact O-N 3.49Å
232S97Very high95.4Very high56 Ų5680.8 Ų80.839%0.39240%0.398SS..Hα-helixtrans-61.6-39.2177.3-61.70000112.7K228 Y229 L234 E235 Y236K228-S232 PolarHBondContact O-N 3.01Å; K228-S232 PolarHBondContact O-OG 3.25Å; Y229-S232 PolarHBondContact O-N 2.86Å; S232-L234 VanDerWaalsContact C-N 3.32Å; S232-L234 PolarHBondContact O-N 3.47Å; S232-E235 WeakPolarHBondContact O-CB 3.33Å; S232-E235 PolarHBondContact O-N 3.24Å; S232-Y236 VanDerWaalsContact O-CD2 3.23Å; S232-Y236 WeakPolarHBondContact O-CD2 3.24Å
233A96.2Very high95.8Very high9 Ų982 Ų827%0.07441%0.407CS..Hα-helixtrans-63.4-37.7176.400000112.4Y229 A230 I231 E235 Y236 E237 D238 T241 A242Y229-A233 WeakPolarHBondContact O-CB 3.47Å; Y229-A233 PolarHBondContact O-N 2.97Å; A230-A233 PolarHBondContact O-N 3.42Å; I231-A233 VanDerWaalsContact C-N 3.34Å; I231-A233 PolarHBondContact O-N 2.91Å; A233-E235 VanDerWaalsContact C-N 3.32Å; A233-E235 PolarHBondContact O-N 2.89Å; A233-Y236 CarbonylContact O-C 3.58Å; A233-Y236 PolarHBondContact O-N 3.05Å; A233-E237 PolarHBondContact O-N 3.02Å; A233-D238 HydrophobicContact CB-CB 4.4Å; A233-D238 PolarHBondContact O-N 3.14Å; A233-T241 HydrophobicContact CB-CG2 3.88Å; A233-A242 HydrophobicContact CB-CB 4.01Å
234L95.7Very high96Very high104 Ų10485.2 Ų85.255%0.54542%0.424SS..Hα-helixtrans-64.9-34175.5-69.5169.6000112.6A230 I231 S232 Y236 E237 A242A230-L234 VanDerWaalsContact O-CG 3.29Å; A230-L234 WeakPolarHBondContact O-CG 3.48Å; A230-L234 PolarHBondContact O-N 3.36Å; I231-L234 WeakPolarHBondContact O-CB 3.39Å; I231-L234 PolarHBondContact O-N 2.8Å; S232-L234 VanDerWaalsContact C-N 3.32Å; S232-L234 PolarHBondContact O-N 3.47Å; L234-Y236 PolarHBondContact O-N 2.9Å; L234-E237 PolarHBondContact O-N 3.45Å; L234-E237 VanDerWaalsContact O-N 3.11Å; L234-A242 HydrophobicContact CD2-CB 3.73Å; L234-A242 HydrophobicContact CG-CB 3.84Å
235E96Very high96.3Very high136 Ų13680.2 Ų80.264%0.63640%0.401SS*.Hα-helixtrans-63.2-27.7175.9-67.5170.6170.200112.7I231 S232 A233I231-E235 PolarHBondContact O-N 3.49Å; S232-E235 WeakPolarHBondContact O-CB 3.33Å; S232-E235 PolarHBondContact O-N 3.24Å; A233-E235 VanDerWaalsContact C-N 3.32Å; A233-E235 PolarHBondContact O-N 2.89Å
236Y96Very high96.5Very high194 Ų19482.2 Ų82.276%0.76141%0.413SS*.THydrogen-bonded Turntrans-99.912175.6-64.8-75.7000113.4S232 A233 L234 D238S232-Y236 VanDerWaalsContact O-CD2 3.23Å; S232-Y236 WeakPolarHBondContact O-CD2 3.24Å; A233-Y236 CarbonylContact O-C 3.58Å; A233-Y236 PolarHBondContact O-N 3.05Å; L234-Y236 PolarHBondContact O-N 2.9Å; Y236-D238 PolarHBondContact O-N 3.08Å; Y236-D238 VanDerWaalsContact O-N 3.09Å
237E94.8Very high96.5Very high171 Ų17182.4 Ų82.480%0.79942%0.419SS*.THydrogen-bonded Turntrans55.922-176.5-56.4-176.9171.700114A233 L234 V239A233-E237 PolarHBondContact O-N 3.02Å; L234-E237 PolarHBondContact O-N 3.45Å; L234-E237 VanDerWaalsContact O-N 3.11Å; E237-V239 VanDerWaalsContact C-N 3.32Å; E237-V239 PolarHBondContact O-N 3.29Å
238D96.6Very high96.5Very high63 Ų6383.4 Ų83.434%0.33742%0.416SS..  trans-81.381174.2-173.5-9.5000110.2A233 Y236 N240 T241 A242A233-D238 HydrophobicContact CB-CB 4.4Å; A233-D238 PolarHBondContact O-N 3.14Å; Y236-D238 PolarHBondContact O-N 3.08Å; Y236-D238 VanDerWaalsContact O-N 3.09Å; D238-N240 VanDerWaalsContact C-N 3.27Å; D238-N240 PolarHBondContact O-N 2.87Å; D238-N240 PolarHBondContact OD1-N 3.33Å; D238-T241 VanDerWaalsContact CG-CB 3.42Å; D238-T241 PolarHBondContact O-N 3.41Å; D238-T241 PolarHBondContact OD1-N 3.07Å; D238-T241 PolarHBondContact OD1-OG1 3.3Å; D238-T241 WeakPolarHBondContact OD2-CB 3.42Å; D238-T241 PolarHBondContact OD2-OG1 2.91Å; D238-A242 WeakPolarHBondContact O-CB 3.41Å; D238-A242 PolarHBondContact O-N 2.93Å
239V95.6Very high96.4Very high85 Ų8577.8 Ų77.852%0.51539%0.393SS..Hα-helixtrans-59.2-37.2-178.5-179.50000112E237 A242 I243E237-V239 VanDerWaalsContact C-N 3.32Å; E237-V239 PolarHBondContact O-N 3.29Å; V239-A242 PolarHBondContact O-N 3.24Å; V239-I243 HydrophobicContact CG1-CD1 3.78Å; V239-I243 HydrophobicContact CG1-CG1 4.4Å; V239-I243 VanDerWaalsContact O-CG1 3.3Å; V239-I243 WeakPolarHBondContact O-CG1 3.3Å; V239-I243 PolarHBondContact O-N 2.86Å
240N97.2Very high96.3Very high132 Ų13279.1 Ų79.171%0.70640%0.401SS*.Hα-helixtrans-69.2-48.4-176.2-67.8-43.1000111D238 A242 I243 D244D238-N240 VanDerWaalsContact C-N 3.27Å; D238-N240 PolarHBondContact O-N 2.87Å; D238-N240 PolarHBondContact OD1-N 3.33Å; N240-A242 VanDerWaalsContact C-N 3.29Å; N240-A242 PolarHBondContact O-N 2.85Å; N240-I243 PolarHBondContact O-N 2.86Å; N240-D244 WeakPolarHBondContact O-CB 2.83Å; N240-D244 PolarHBondContact O-N 2.85Å
241T96.9Very high96.1Very high56 Ų5685.1 Ų85.134%0.34443%0.428SS..Hα-helixtrans-65.1-34.8177-60.90000111.5A233 D238 N245A233-T241 HydrophobicContact CB-CG2 3.88Å; D238-T241 VanDerWaalsContact CG-CB 3.42Å; D238-T241 PolarHBondContact O-N 3.41Å; D238-T241 PolarHBondContact OD1-N 3.07Å; D238-T241 PolarHBondContact OD1-OG1 3.3Å; D238-T241 WeakPolarHBondContact OD2-CB 3.42Å; D238-T241 PolarHBondContact OD2-OG1 2.91Å; T241-N245 WeakPolarHBondContact CG2-ND2 3.24Å; T241-N245 PolarHBondContact O-N 3.14Å; T241-N245 VanDerWaalsContact O-N 3.1Å; T241-N245 PolarHBondContact O-ND2 3.18Å
242A96.5Very high95.8Very high3 Ų382.7 Ų82.73%0.02542%0.416CS..Hα-helixtrans-62.6-49.7174.600000112A233 L234 D238 V239 N240 D244 N245 I246A233-A242 HydrophobicContact CB-CB 4.01Å; L234-A242 HydrophobicContact CD2-CB 3.73Å; L234-A242 HydrophobicContact CG-CB 3.84Å; D238-A242 WeakPolarHBondContact O-CB 3.41Å; D238-A242 PolarHBondContact O-N 2.93Å; V239-A242 PolarHBondContact O-N 3.24Å; N240-A242 VanDerWaalsContact C-N 3.29Å; N240-A242 PolarHBondContact O-N 2.85Å; A242-D244 PolarHBondContact O-N 2.95Å; A242-N245 PolarHBondContact O-N 3.23Å; A242-I246 VanDerWaalsContact O-CG1 3.28Å; A242-I246 WeakPolarHBondContact O-CG1 3.19Å; A242-I246 PolarHBondContact O-N 3.27Å
243I97.1Very high95.5Very high98 Ų9884.5 Ų84.550%0.50342%0.421SS..Hα-helixtrans-61.8-43.7178.7-69.7169.9000111.2V239 N240 I246 T247V239-I243 HydrophobicContact CG1-CD1 3.78Å; V239-I243 HydrophobicContact CG1-CG1 4.4Å; V239-I243 VanDerWaalsContact O-CG1 3.3Å; V239-I243 WeakPolarHBondContact O-CG1 3.3Å; V239-I243 PolarHBondContact O-N 2.86Å; N240-I243 PolarHBondContact O-N 2.86Å; I243-I246 PolarHBondContact O-N 2.89Å; I243-T247 WeakPolarHBondContact O-CB 3.41Å; I243-T247 PolarHBondContact O-N 2.81Å; I243-T247 PolarHBondContact O-OG1 2.77Å
244D97.5Very high95Very high73 Ų7389.4 Ų89.439%0.3944%0.441SS..Hα-helixtrans-59.3-48.6178.9178.646.3000111.7N240 A242 I246 T247 K248N240-D244 WeakPolarHBondContact O-CB 2.83Å; N240-D244 PolarHBondContact O-N 2.85Å; A242-D244 PolarHBondContact O-N 2.95Å; D244-I246 PolarHBondContact O-N 3.14Å; D244-T247 PolarHBondContact O-N 3.24Å; D244-K248 WeakPolarHBondContact O-CG 3.3Å; D244-K248 PolarHBondContact O-N 3.25Å; D244-K248 WeakPolarHBondContact OD1-CE 3.21Å; D244-K248 IonicContact OD1-NZ 2.65Å; D244-K248 PolarHBondContact OD1-NZ 2.93Å; D244-K248 WeakPolarHBondContact OD2-CE 3.26Å; D244-K248 IonicContact OD2-NZ 2.88Å; D244-K248 PolarHBondContact OD2-NZ 2.99Å
245N97.2Very high93.8Very high14 Ų1486.2 Ų86.28%0.07543%0.433CS..Hα-helixtrans-65.6-40.3178.3-77.8-64.8000112.9F226 A230 T241 A242 T247 K248 A249F226-N245 WeakPolarHBondContact CB-O 3.48Å; F226-N245 WeakPolarHBondContact CD1-OD1 3.39Å; F226-N245 WeakPolarHBondContact O-CB 3.21Å; A230-N245 HydrophobicContact CB-CB 3.95Å; T241-N245 WeakPolarHBondContact CG2-ND2 3.24Å; T241-N245 PolarHBondContact O-N 3.14Å; T241-N245 VanDerWaalsContact O-N 3.1Å; T241-N245 PolarHBondContact O-ND2 3.18Å; A242-N245 PolarHBondContact O-N 3.23Å; N245-T247 VanDerWaalsContact C-N 3.31Å; N245-T247 PolarHBondContact O-N 2.62Å; N245-K248 PolarHBondContact O-N 3.23Å; N245-A249 WeakPolarHBondContact O-CB 3.41Å; N245-A249 PolarHBondContact O-N 3.36Å
246I96.9Very high91.9Very high91 Ų9190.2 Ų90.247%0.46745%0.451SS..Hα-helixtrans-62.4-42.5175.1-68.3166000110.5A230 A242 I243 D244 A249 F250A230-I246 HydrophobicContact CB-CD1 4.21Å; A230-I246 HydrophobicContact CB-CG1 3.63Å; A242-I246 VanDerWaalsContact O-CG1 3.28Å; A242-I246 WeakPolarHBondContact O-CG1 3.19Å; A242-I246 PolarHBondContact O-N 3.27Å; I243-I246 PolarHBondContact O-N 2.89Å; D244-I246 PolarHBondContact O-N 3.14Å; I246-A249 PolarHBondContact O-N 2.83Å; I246-F250 WeakPolarHBondContact O-CB 3.24Å; I246-F250 PolarHBondContact O-N 3.17Å
247T96.5Very high89.5Confident60 Ų6084.2 Ų84.237%0.36845%0.449SS..Hα-helixtrans-62.4-46.3178.9-56.30000110.6I243 D244 N245 A249 F250 E251I243-T247 WeakPolarHBondContact O-CB 3.41Å; I243-T247 PolarHBondContact O-N 2.81Å; I243-T247 PolarHBondContact O-OG1 2.77Å; D244-T247 PolarHBondContact O-N 3.24Å; N245-T247 VanDerWaalsContact C-N 3.31Å; N245-T247 PolarHBondContact O-N 2.62Å; T247-A249 PolarHBondContact O-N 3.19Å; T247-F250 PolarHBondContact O-N 3.11Å; T247-E251 HydrophobicContact CG2-CG 4.45Å; T247-E251 WeakPolarHBondContact O-CG 3.44Å; T247-E251 PolarHBondContact O-N 3.35Å
248K96.1Very high86.6Confident79 Ų7979.6 Ų79.634%0.34344%0.435SS..Hα-helixtrans-59-43.9174.3-72.5168.2177.3165.20112.7F226 D244 N245 F250 L252F226-K248 HydrophobicContact CD1-CB 4.13Å; F226-K248 HydrophobicContact CD1-CD 4.27Å; F226-K248 HydrophobicContact CD2-CB 3.97Å; F226-K248 HydrophobicContact CE1-CB 4.14Å; F226-K248 HydrophobicContact CE1-CD 3.83Å; F226-K248 HydrophobicContact CE2-CB 3.96Å; F226-K248 HydrophobicContact CG-CB 4.06Å; F226-K248 HydrophobicContact CZ-CB 4.06Å; F226-K248 HydrophobicContact CZ-CD 4.18Å; D244-K248 WeakPolarHBondContact O-CG 3.3Å; D244-K248 PolarHBondContact O-N 3.25Å; D244-K248 WeakPolarHBondContact OD1-CE 3.21Å; D244-K248 IonicContact OD1-NZ 2.65Å; D244-K248 PolarHBondContact OD1-NZ 2.93Å; D244-K248 WeakPolarHBondContact OD2-CE 3.26Å; D244-K248 IonicContact OD2-NZ 2.88Å; D244-K248 PolarHBondContact OD2-NZ 2.99Å; N245-K248 PolarHBondContact O-N 3.23Å; K248-F250 VanDerWaalsContact C-N 3.34Å; K248-L252 WeakPolarHBondContact O-CB 3.44Å; K248-L252 PolarHBondContact O-N 3.35Å; K248-L252 VanDerWaalsContact O-N 3.12Å
249A95Very high83.6Confident4 Ų489.3 Ų89.33%0.03348%0.475CS..Hα-helixtrans-61.8-43.4175.800000111.6F226 N245 I246 T247 L252 L253F226-A249 HydrophobicContact CB-CB 3.79Å; N245-A249 WeakPolarHBondContact O-CB 3.41Å; N245-A249 PolarHBondContact O-N 3.36Å; I246-A249 PolarHBondContact O-N 2.83Å; T247-A249 PolarHBondContact O-N 3.19Å; A249-L252 PolarHBondContact O-N 3.5Å; A249-L253 VanDerWaalsContact O-CG 3.31Å; A249-L253 WeakPolarHBondContact O-CG 3.41Å; A249-L253 PolarHBondContact O-N 3.23Å; A249-L253 VanDerWaalsContact O-N 3.12Å
250F93.3Very high83.1Confident132 Ų13289.6 Ų89.658%0.57947%0.473SS*.Hα-helixtrans-65.7-47.1179.9-178.1-97.3000112.3I246 T247 K248 L252 L253 K254I246-F250 WeakPolarHBondContact O-CB 3.24Å; I246-F250 PolarHBondContact O-N 3.17Å; T247-F250 PolarHBondContact O-N 3.11Å; K248-F250 VanDerWaalsContact C-N 3.34Å; F250-L252 VanDerWaalsContact C-N 3.3Å; F250-L252 PolarHBondContact O-N 2.91Å; F250-L253 PolarHBondContact O-N 2.74Å; F250-K254 HydrophobicContact CE1-CD 4.14Å; F250-K254 WeakPolarHBondContact O-CB 3.4Å; F250-K254 PolarHBondContact O-N 3.09Å
251E93.2Very high82.3Confident128 Ų12887.3 Ų87.360%0.59846%0.46SS*.Hα-helixtrans-58.8-42.5177.1-74.4-179169.900111.7T247 L253 K254T247-E251 HydrophobicContact CG2-CG 4.45Å; T247-E251 WeakPolarHBondContact O-CG 3.44Å; T247-E251 PolarHBondContact O-N 3.35Å; E251-L253 PolarHBondContact O-N 3.19Å; E251-K254 PolarHBondContact O-N 2.84Å
252L90.3Very high81.5Confident49 Ų4989.1 Ų89.126%0.25747%0.467SS..Hα-helixtrans-64.2-41.1178.4-168.165.6000112.6E219 K222 A223 F226 K248 A249 F250E219-L252 HydrophobicContact CB-CD1 4.36Å; E219-L252 HydrophobicContact CB-CD2 4.49Å; E219-L252 HydrophobicContact CB-CG 4.15Å; E219-L252 HydrophobicContact CG-CD1 3.95Å; E219-L252 HydrophobicContact CG-CG 4.28Å; E219-L252 WeakPolarHBondContact O-CD2 3.43Å; K222-L252 HydrophobicContact CB-CD2 3.46Å; K222-L252 VanDerWaalsContact CB-CD2 3.46Å; A223-L252 HydrophobicContact CB-CD2 4.21Å; F226-L252 HydrophobicContact CE2-CD2 4.48Å; K248-L252 WeakPolarHBondContact O-CB 3.44Å; K248-L252 PolarHBondContact O-N 3.35Å; K248-L252 VanDerWaalsContact O-N 3.12Å; A249-L252 PolarHBondContact O-N 3.5Å; F250-L252 VanDerWaalsContact C-N 3.3Å; F250-L252 PolarHBondContact O-N 2.91Å
253L90Very high80.6Confident93 Ų9394.1 Ų94.149%0.48749%0.493SS..Hα-helixtrans-75.8-27.4179.8-69.3174.7000113.6F220 A223 A249 F250 E251 G255F220-L253 HydrophobicContact CD1-CD2 3.89Å; F220-L253 HydrophobicContact CE1-CD2 3.77Å; F220-L253 HydrophobicContact CZ-CD2 4.43Å; A223-L253 HydrophobicContact CB-CD1 4.15Å; A223-L253 HydrophobicContact CB-CD2 3.8Å; A223-L253 HydrophobicContact CB-CG 3.8Å; A249-L253 VanDerWaalsContact O-CG 3.31Å; A249-L253 WeakPolarHBondContact O-CG 3.41Å; A249-L253 PolarHBondContact O-N 3.23Å; A249-L253 VanDerWaalsContact O-N 3.12Å; F250-L253 PolarHBondContact O-N 2.74Å; E251-L253 PolarHBondContact O-N 3.19Å; L253-G255 PolarHBondContact O-N 3.02Å
254K85.8Confident79.6Confident113 Ų11393.9 Ų93.949%0.49149%0.492SS..Hα-helixtrans-69.2-23.6178.3-162.1-177.3-179.7-166.10112.1F250 E251F250-K254 HydrophobicContact CE1-CD 4.14Å; F250-K254 WeakPolarHBondContact O-CB 3.4Å; F250-K254 PolarHBondContact O-N 3.09Å; E251-K254 PolarHBondContact O-N 2.84Å
255G70.4Confident78.4Confident36 Ų3695.3 Ų95.337%0.37150%0.499SS..  trans69.8147-174.700000112.2L253 G257L253-G255 PolarHBondContact O-N 3.02Å; G255-G257 PolarHBondContact O-N 3.41Å
256E57.8Low77.1Confident220 Ų220101.1 Ų101.1100%1.02853%0.529SS*.THydrogen-bonded Turntrans-65.616.1-179.9-67.4-172.9147.300114.8
257G44.7Very low75.5Confident69 Ų69101.8 Ų101.871%0.71153%0.534SS*.THydrogen-bonded Turntrans-125.515.7-173.900000116.3G255G255-G257 PolarHBondContact O-N 3.41Å
258S34.7Very low73.8Confident73 Ų73105.3 Ų105.351%0.5155%0.548SS..  trans-107.752.6176.7-167.10000112.8
259K34Very low71.7Confident268 Ų268107.7 Ų107.7100%1.16557%0.566SS**  trans-136.10153.5-79.5-171178.7177.80107.7

Retrieved 259 of 259 residues in 1618.8 ms (Link to these results)

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