A0A5K4F835_SCHMA Loading...

Ubiquinone biosynthesis protein COQ4 homolog, mitochondrial

Lyase that catalyzes the C1-decarboxylation of 4-hydroxy-3-methoxy-5-(all-trans-polyprenyl)benzoic acid into 2-methoxy-6-(all-trans-polyprenyl)phenol during ubiquinone biosynthesis.

AlphaFold DB , UniProt , Accession A0A5K4F835, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 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
1M52.5Low62.3Low141 Ų141110.9 Ų110.970%0.69556%0.557SS**  0115.40-161.2156.593.300109L5 R6 L9M1-L5 HydrophobicContact CG-CB 4.17Å; M1-L5 HydrophobicContact CG-CD2 3.82Å; M1-L5 HydrophobicContact SD-CD2 4.19Å; M1-R6 HydrophobicContact CE-CG 3.57Å; M1-L9 HydrophobicContact CE-CD1 4.03Å
2S64Low63.3Low71 Ų71106.8 Ų106.850%0.49754%0.538SS..  trans-59.4144.4-176.8164.70000112.1I4 L5 R6S2-I4 PolarHBondContact O-N 3.26Å; S2-I4 VanDerWaalsContact O-N 3.15Å; S2-I4 PolarHBondContact OG-N 2.69Å; S2-L5 WeakPolarHBondContact O-CB 3.35Å; S2-L5 PolarHBondContact O-N 3.15Å; S2-R6 PolarHBondContact O-N 3.48Å
3L61.4Low64.3Low150 Ų150100.2 Ų100.279%0.78551%0.507SS*.Hα-helixtrans-50.1-34.6173.6-99.2145000112.5R6 R7L3-R6 PolarHBondContact O-N 2.93Å; L3-R7 PolarHBondContact O-N 3.27Å; L3-R7 VanDerWaalsContact O-N 3.09Å
4I63.4Low64.9Low125 Ų125103.4 Ų103.464%0.64151%0.512SS*.Hα-helixtrans-65.2-46.2178.1-60.8173000110.3S2 R6 R7 V8S2-I4 PolarHBondContact O-N 3.26Å; S2-I4 VanDerWaalsContact O-N 3.15Å; S2-I4 PolarHBondContact OG-N 2.69Å; I4-R6 VanDerWaalsContact C-N 3.33Å; I4-R6 PolarHBondContact O-N 2.73Å; I4-R7 WeakPolarHBondContact O-CB 3.16Å; I4-R7 PolarHBondContact O-N 2.72Å; I4-R7 VanDerWaalsContact O-N 3.14Å; I4-V8 WeakPolarHBondContact O-CG2 3.27Å; I4-V8 PolarHBondContact O-N 3.03Å
5L56.9Low65.8Low100 Ų100104.3 Ų104.352%0.52451%0.512SS..Hα-helixtrans-62.3-41.3-179.8-140.289.1000111.3M1 S2 R7 V8 L9M1-L5 HydrophobicContact CG-CB 4.17Å; M1-L5 HydrophobicContact CG-CD2 3.82Å; M1-L5 HydrophobicContact SD-CD2 4.19Å; S2-L5 WeakPolarHBondContact O-CB 3.35Å; S2-L5 PolarHBondContact O-N 3.15Å; L5-R7 PolarHBondContact O-N 2.85Å; L5-V8 PolarHBondContact O-N 2.78Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 WeakPolarHBondContact O-CD1 3.31Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.34Å
6R58.2Low66.5Low162 Ų16299.3 Ų99.361%0.61149%0.488SS*.Hα-helixtrans-62.6-40.5174.8-77.6-173.1178.5-147.30.6112.2M1 S2 L3 I4 S10M1-R6 HydrophobicContact CE-CG 3.57Å; S2-R6 PolarHBondContact O-N 3.48Å; L3-R6 PolarHBondContact O-N 2.93Å; I4-R6 VanDerWaalsContact C-N 3.33Å; I4-R6 PolarHBondContact O-N 2.73Å; R6-S10 WeakPolarHBondContact O-CB 3.38Å; R6-S10 PolarHBondContact O-N 3.21Å
7R56Low67.1Low193 Ų19399.6 Ų99.673%0.72848%0.482SS*.Hα-helixtrans-63.8-46176.4-105.3-176.1176-169.3-0.6112L3 I4 L5 S10 I11L3-R7 PolarHBondContact O-N 3.27Å; L3-R7 VanDerWaalsContact O-N 3.09Å; I4-R7 WeakPolarHBondContact O-CB 3.16Å; I4-R7 PolarHBondContact O-N 2.72Å; I4-R7 VanDerWaalsContact O-N 3.14Å; L5-R7 PolarHBondContact O-N 2.85Å; R7-S10 PolarHBondContact O-N 3.49Å; R7-I11 VanDerWaalsContact O-CG1 3.29Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 3.25Å
8V65.5Low67.4Low76 Ų7697.9 Ų97.946%0.46148%0.476SS..Hα-helixtrans-63.2-44.61791750000111.2I4 L5 S10 I11 N12I4-V8 WeakPolarHBondContact O-CG2 3.27Å; I4-V8 PolarHBondContact O-N 3.03Å; L5-V8 PolarHBondContact O-N 2.78Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 2.96Å; V8-I11 PolarHBondContact O-N 3.06Å; V8-N12 PolarHBondContact O-N 3.32Å; V8-N12 PolarHBondContact O-ND2 3.38Å
9L64.8Low67.8Low36 Ų3699.4 Ų99.419%0.18848%0.482CS..Hα-helixtrans-60.1-44.1175.4-74.9163000111.8M1 L5 N12 C13 P91 R95M1-L9 HydrophobicContact CE-CD1 4.03Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 WeakPolarHBondContact O-CD1 3.31Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.34Å; L9-N12 PolarHBondContact O-N 2.96Å; L9-C13 PolarHBondContact O-N 3.46Å; L9-C13 PolarHBondContact O-SG 3.08Å; L9-C13 VanDerWaalsContact O-SG 3.34Å; L9-P91 HydrophobicContact CD1-CB 4.29Å; L9-R95 HydrophobicContact CD2-CG 4.46Å
10S69Low68.1Low77 Ų7795.6 Ų95.654%0.53846%0.463SS..Hα-helixtrans-61.5-44.6177.5-177.80000112.5R6 R7 V8 N12 C13 Y14R6-S10 WeakPolarHBondContact O-CB 3.38Å; R6-S10 PolarHBondContact O-N 3.21Å; R7-S10 PolarHBondContact O-N 3.49Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 2.96Å; S10-N12 PolarHBondContact O-N 2.58Å; S10-C13 PolarHBondContact O-N 3.2Å; S10-Y14 WeakPolarHBondContact O-CB 3.44Å; S10-Y14 PolarHBondContact O-N 2.99Å
11I74Confident68.1Low89 Ų8994.2 Ų94.246%0.45646%0.46SS..Hα-helixtrans-61.9-44.4177.3-69.2165.4000110.6R7 V8 Y14 F15R7-I11 VanDerWaalsContact O-CG1 3.29Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 3.25Å; V8-I11 PolarHBondContact O-N 3.06Å; I11-Y14 WeakPolarHBondContact O-CB 3.22Å; I11-Y14 PolarHBondContact O-N 3.32Å; I11-F15 HydrophobicContact CG2-CD2 3.66Å; I11-F15 HydrophobicContact CG2-CE2 3.51Å; I11-F15 VanDerWaalsContact O-CD2 3.25Å; I11-F15 WeakPolarHBondContact O-CD2 3.3Å; I11-F15 PolarHBondContact O-N 3.31Å
12N74.4Confident68.6Low62 Ų6294.3 Ų94.333%0.33246%0.457SS..Hα-helixtrans-64.4-42.1178.3-78.2-26.8000112.6V8 L9 S10 Y14 F15 L16V8-N12 PolarHBondContact O-N 3.32Å; V8-N12 PolarHBondContact O-ND2 3.38Å; L9-N12 PolarHBondContact O-N 2.96Å; S10-N12 PolarHBondContact O-N 2.58Å; N12-Y14 VanDerWaalsContact C-N 3.27Å; N12-Y14 PolarHBondContact O-N 3.08Å; N12-F15 PolarHBondContact O-N 3.37Å; N12-L16 PolarHBondContact O-N 3.37Å
13C76.1Confident68.8Low20 Ų2092.4 Ų92.414%0.13544%0.443CS..Hα-helixtrans-60.5-38.5173.4-70.20000112.1L9 S10 L16 R17 L88 C94L9-C13 PolarHBondContact O-N 3.46Å; L9-C13 PolarHBondContact O-SG 3.08Å; L9-C13 VanDerWaalsContact O-SG 3.34Å; S10-C13 PolarHBondContact O-N 3.2Å; C13-L16 PolarHBondContact O-N 3.07Å; C13-R17 WeakPolarHBondContact O-CB 3.41Å; C13-R17 PolarHBondContact O-N 2.86Å; C13-L88 PolarHBondContact SG-O 2.92Å; C13-C94 VanDerWaalsContact CA-SG 3.52Å; C13-C94 HydrophobicContact CB-CB 4.31Å; C13-C94 WeakPolarHBondContact CB-SG 3.39Å; C13-C94 WeakPolarHBondContact SG-CB 3.4Å; C13-C94 CovalentContact SG-SG 2.02Å; C13-C94 PolarHBondContact SG-SG 3.49Å
14Y72.6Confident68.9Low146 Ų14686.7 Ų86.757%0.57342%0.415SS*.Hα-helixtrans-64.5-43.4175.9-175.5-98.9000112S10 I11 N12 R17 L18S10-Y14 WeakPolarHBondContact O-CB 3.44Å; S10-Y14 PolarHBondContact O-N 2.99Å; I11-Y14 WeakPolarHBondContact O-CB 3.22Å; I11-Y14 PolarHBondContact O-N 3.32Å; N12-Y14 VanDerWaalsContact C-N 3.27Å; N12-Y14 PolarHBondContact O-N 3.08Å; Y14-R17 PolarHBondContact O-N 3.28Å; Y14-L18 HydrophobicContact CD1-CD1 3.8Å; Y14-L18 HydrophobicContact CD1-CG 4.35Å; Y14-L18 HydrophobicContact CE1-CD1 3.39Å; Y14-L18 HydrophobicContact CE1-CG 4.03Å; Y14-L18 WeakPolarHBondContact O-CG 3.08Å; Y14-L18 PolarHBondContact O-N 3.27Å
15F77.9Confident68.7Low116 Ų11685.4 Ų85.451%0.50941%0.408SS..Hα-helixtrans-62.5-43.1175-84.8-70.6000112.8I11 N12 R17 L18 Q19I11-F15 HydrophobicContact CG2-CD2 3.66Å; I11-F15 HydrophobicContact CG2-CE2 3.51Å; I11-F15 VanDerWaalsContact O-CD2 3.25Å; I11-F15 WeakPolarHBondContact O-CD2 3.3Å; I11-F15 PolarHBondContact O-N 3.31Å; N12-F15 PolarHBondContact O-N 3.37Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 3.09Å; F15-L18 WeakPolarHBondContact O-CB 3.21Å; F15-L18 PolarHBondContact O-N 3.34Å; F15-Q19 PolarHBondContact O-N 3.03Å
16L77Confident68.8Low25 Ų2585.4 Ų85.413%0.13141%0.409CS..Hα-helixtrans-60.8-42.7174.5-72.9167.9000111.6N12 C13 L18 Q19 H20 L88 C94 R98N12-L16 PolarHBondContact O-N 3.37Å; C13-L16 PolarHBondContact O-N 3.07Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L18 PolarHBondContact O-N 3.33Å; L16-Q19 PolarHBondContact O-N 3.33Å; L16-H20 PolarHBondContact O-N 2.95Å; L16-L88 HydrophobicContact CB-CD2 3.79Å; L16-L88 HydrophobicContact CD1-CD2 4.35Å; L16-C94 HydrophobicContact CD1-CB 4.22Å; L16-C94 WeakPolarHBondContact CD1-O 3.29Å; L16-R98 HydrophobicContact CD1-CB 4.09Å; L16-R98 HydrophobicContact CD2-CB 4.15Å
17R77.2Confident68.8Low105 Ų10579.4 Ų79.440%0.39639%0.392SS..Hα-helixtrans-61.4-40.1176.4-172.8177.7-89.7-134-3.2111.6C13 Y14 F15 T21 L88C13-R17 WeakPolarHBondContact O-CB 3.41Å; C13-R17 PolarHBondContact O-N 2.86Å; Y14-R17 PolarHBondContact O-N 3.28Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 3.09Å; R17-T21 PolarHBondContact O-N 3Å; R17-T21 PolarHBondContact O-OG1 3.02Å; R17-L88 HydrophobicContact CB-CD1 4.05Å; R17-L88 HydrophobicContact CG-CD1 4.24Å
18L72.3Confident68.9Low69 Ų6977.4 Ų77.436%0.36139%0.391SS..Hα-helixtrans-65.3-42.2174.3-74.5173.8000112.5Y14 F15 L16 T21 K22Y14-L18 HydrophobicContact CD1-CD1 3.8Å; Y14-L18 HydrophobicContact CD1-CG 4.35Å; Y14-L18 HydrophobicContact CE1-CD1 3.39Å; Y14-L18 HydrophobicContact CE1-CG 4.03Å; Y14-L18 WeakPolarHBondContact O-CG 3.08Å; Y14-L18 PolarHBondContact O-N 3.27Å; F15-L18 WeakPolarHBondContact O-CB 3.21Å; F15-L18 PolarHBondContact O-N 3.34Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L18 PolarHBondContact O-N 3.33Å; L18-T21 PolarHBondContact O-N 3.45Å; L18-K22 WeakPolarHBondContact O-CG 3.48Å; L18-K22 PolarHBondContact O-N 3.47Å
19Q74.7Confident68.2Low126 Ų12679.8 Ų79.859%0.58940%0.401SS*.Hα-helixtrans-62.7-45.4175.7-75.7-179.9-36.100111.6F15 L16 T21 K22 S23F15-Q19 PolarHBondContact O-N 3.03Å; L16-Q19 PolarHBondContact O-N 3.33Å; Q19-T21 VanDerWaalsContact C-N 3.34Å; Q19-T21 PolarHBondContact O-N 3.43Å; Q19-K22 PolarHBondContact O-N 3.1Å; Q19-S23 WeakPolarHBondContact O-CB 3.46Å; Q19-S23 PolarHBondContact O-N 3.46Å
20H74.8Confident67.5Low22 Ų2284.4 Ų84.410%0.10242%0.42CS..Hα-helixtrans-58.9-44.7173.8174.6-79.6000111.6L16 K22 S23 V24 F84 D147 D149L16-H20 PolarHBondContact O-N 2.95Å; H20-K22 VanDerWaalsContact C-N 3.3Å; H20-K22 PolarHBondContact O-N 3.06Å; H20-S23 WeakPolarHBondContact O-CB 3.33Å; H20-S23 PolarHBondContact O-N 3.45Å; H20-V24 WeakPolarHBondContact O-CG2 3.23Å; H20-V24 PolarHBondContact O-N 3.29Å; H20-F84 HydrophobicContact CB-CE1 3.85Å; H20-F84 HydrophobicContact CB-CZ 3.75Å; H20-F84 AromaticContact CD2-CD1 3.73Å; H20-F84 AromaticContact CD2-CE1 3.07Å; H20-F84 WeakPolarHBondContact CD2-CE1 2.85Å; H20-F84 AromaticContact CD2-CZ 3.25Å; H20-F84 WeakPolarHBondContact CD2-CZ 3.38Å; H20-F84 AromaticContact CG-CE1 3.38Å; H20-F84 AromaticContact CG-CZ 3.65Å; H20-F84 AromaticContact ND1-CE1 3.98Å; H20-F84 AromaticContact NE2-CD1 3.72Å; H20-F84 AromaticContact NE2-CE1 3.52Å; H20-D147 IonicContact NE2-OD2 3.35Å; H20-D149 WeakPolarHBondContact CA-OD2 3.32Å; H20-D149 WeakPolarHBondContact CB-OD2 3.37Å; H20-D149 IonicContact CD2-OD2 2.74Å; H20-D149 PolarHBondContact CD2-OD2 3.29Å; H20-D149 VanDerWaalsContact CD2-OD2 3.26Å; H20-D149 IonicContact CG-OD2 3.09Å
21T67.3Low66.6Low67 Ų6783.4 Ų83.441%0.41142%0.422SS..Hα-helixtrans-62.4-40.3179.5-49.70000111R17 L18 Q19 L25R17-T21 PolarHBondContact O-N 3Å; R17-T21 PolarHBondContact O-OG1 3.02Å; L18-T21 PolarHBondContact O-N 3.45Å; Q19-T21 VanDerWaalsContact C-N 3.34Å; Q19-T21 PolarHBondContact O-N 3.43Å; T21-L25 HydrophobicContact CG2-CD1 4.3Å; T21-L25 WeakPolarHBondContact O-CG 3.37Å; T21-L25 PolarHBondContact O-N 3.41Å; T21-L25 VanDerWaalsContact O-N 3.15Å
22K64.3Low65.8Low144 Ų14486.7 Ų86.763%0.62644%0.44SS*.Hα-helixtrans-66.4-40.1173.6-75.1-178.2177.3-175.90112.6L18 Q19 H20 L25 N26L18-K22 WeakPolarHBondContact O-CG 3.48Å; L18-K22 PolarHBondContact O-N 3.47Å; Q19-K22 PolarHBondContact O-N 3.1Å; H20-K22 VanDerWaalsContact C-N 3.3Å; H20-K22 PolarHBondContact O-N 3.06Å; K22-L25 PolarHBondContact O-N 3.41Å; K22-N26 WeakPolarHBondContact O-CB 3.43Å; K22-N26 PolarHBondContact O-N 2.93Å
23S66.7Low65.3Low30 Ų3088.1 Ų88.121%0.2145%0.451CS..Hα-helixtrans-56.8-51.7174.81630000111Q19 H20 L25 N26 S27Q19-S23 WeakPolarHBondContact O-CB 3.46Å; Q19-S23 PolarHBondContact O-N 3.46Å; H20-S23 WeakPolarHBondContact O-CB 3.33Å; H20-S23 PolarHBondContact O-N 3.45Å; S23-L25 PolarHBondContact O-N 2.77Å; S23-N26 PolarHBondContact O-N 3.15Å; S23-S27 WeakPolarHBondContact O-CB 3.49Å; S23-S27 PolarHBondContact O-N 2.93Å
24V64.3Low65.2Low31 Ų3192.9 Ų92.919%0.18847%0.471CS..Hα-helixtrans-57.2-51.3177.9174.60000111H20 N26 S27 E28 D147H20-V24 WeakPolarHBondContact O-CG2 3.23Å; H20-V24 PolarHBondContact O-N 3.29Å; V24-N26 VanDerWaalsContact C-N 3.31Å; V24-N26 PolarHBondContact O-N 2.68Å; V24-S27 PolarHBondContact O-N 2.9Å; V24-S27 PolarHBondContact O-OG 3.08Å; V24-E28 PolarHBondContact O-N 3.07Å; V24-D147 WeakPolarHBondContact CG2-OD2 3.37Å
25L59Low65.7Low97 Ų9788.2 Ų88.251%0.50846%0.456SS..Hα-helixtrans-63.5-33.6-179.3-73.4167.5000113.4T21 K22 S23 N29T21-L25 HydrophobicContact CG2-CD1 4.3Å; T21-L25 WeakPolarHBondContact O-CG 3.37Å; T21-L25 PolarHBondContact O-N 3.41Å; T21-L25 VanDerWaalsContact O-N 3.15Å; K22-L25 PolarHBondContact O-N 3.41Å; S23-L25 PolarHBondContact O-N 2.77Å; L25-N29 PolarHBondContact O-ND2 2.88Å; L25-N29 VanDerWaalsContact O-ND2 3.09Å
26N58Low66.3Low100 Ų10084.3 Ų84.354%0.53544%0.438SS..Hα-helixtrans-75.9-35.3176.4-78-7.3000112K22 S23 V24 E28 N29K22-N26 WeakPolarHBondContact O-CB 3.43Å; K22-N26 PolarHBondContact O-N 2.93Å; S23-N26 PolarHBondContact O-N 3.15Å; V24-N26 VanDerWaalsContact C-N 3.31Å; V24-N26 PolarHBondContact O-N 2.68Å; N26-E28 PolarHBondContact O-N 2.95Å; N26-N29 PolarHBondContact O-N 2.84Å
27S59Low67Low36 Ų3689 Ų8925%0.25247%0.47SS..Hα-helixtrans-64.3-28.3179.2760000113.2S23 V24 N29S23-S27 WeakPolarHBondContact O-CB 3.49Å; S23-S27 PolarHBondContact O-N 2.93Å; V24-S27 PolarHBondContact O-N 2.9Å; V24-S27 PolarHBondContact O-OG 3.08Å; S27-N29 VanDerWaalsContact C-N 3.26Å; S27-N29 PolarHBondContact O-N 3.22Å
28E57.6Low67.7Low151 Ų15185.8 Ų85.871%0.70647%0.47SS*.THydrogen-bonded Turntrans-70.7-21.3174.2-68.9-173.6162.200112.9V24 N26V24-E28 PolarHBondContact O-N 3.07Å; N26-E28 PolarHBondContact O-N 2.95Å
29N51.9Low68.7Low127 Ų12783 Ų8368%0.67946%0.455SS*.THydrogen-bonded Turntrans-100.7-9.9-171.1-79.7-51.9000115.4L25 N26 S27L25-N29 PolarHBondContact O-ND2 2.88Å; L25-N29 VanDerWaalsContact O-ND2 3.09Å; N26-N29 PolarHBondContact O-N 2.84Å; S27-N29 VanDerWaalsContact C-N 3.26Å; S27-N29 PolarHBondContact O-N 3.22Å
30F49.8Very low69.6Low133 Ų13380.5 Ų80.558%0.58345%0.445SS*.  trans-114.6107.2180-77-88.4000112.1K41F30-K41 PolarHBondContact O-NZ 3.25Å
31G48.9Very low70.4Confident56 Ų5684.7 Ų84.758%0.57746%0.463SS*.SBendtrans-69133.1162.100000110.1V33G31-V33 PolarHBondContact O-N 2.83Å
32D58.6Low71.5Confident157 Ų15782.4 Ų82.484%0.8445%0.449SS*.SBendtrans75.42.2167.1-57.6-16.1000121.5
33V63Low72.9Confident92 Ų9279.3 Ų79.356%0.55844%0.442SS*.  trans-88129.2170-173.20000110G31 N35G31-V33 PolarHBondContact O-N 2.83Å; V33-N35 PolarHBondContact O-N 3.4Å
34E73.9Confident74.1Confident120 Ų12085.8 Ų85.856%0.56147%0.467SS*.  trans-56.3122.7169.5-79.9-172-166.800109.3Y36 G38E34-Y36 PolarHBondContact O-N 3.16Å; E34-G38 PolarHBondContact OE2-N 3.2Å
35N83.7Confident75.5Confident48 Ų4888.5 Ų88.526%0.25749%0.487SS..SBendtrans-67.7-24.9-179.5-70.5-21.9000112V33 D146 P148V33-N35 PolarHBondContact O-N 3.4Å; N35-D146 WeakPolarHBondContact CB-O 3.24Å; N35-D146 PolarHBondContact ND2-O 2.85Å; N35-P148 HydrophobicContact CB-CG 4.14Å
36Y90.9Very high77.2Confident34 Ų3488.6 Ų88.613%0.13349%0.485CS..SBendtrans-162.4161.2172.254.4-93.1000109.4E34 G38 H39 V142 V145 P148 S151E34-Y36 PolarHBondContact O-N 3.16Å; Y36-G38 PolarHBondContact O-N 3.32Å; Y36-H39 HydrophobicContact CD1-CB 4.12Å; Y36-H39 HydrophobicContact CD2-CB 3.93Å; Y36-H39 HydrophobicContact CE1-CB 3.93Å; Y36-H39 AromaticContact CE1-CD2 3.87Å; Y36-H39 AromaticContact CE1-CG 3.98Å; Y36-H39 HydrophobicContact CE2-CB 3.72Å; Y36-H39 HydrophobicContact CG-CB 4.12Å; Y36-H39 AromaticContact CZ-CD2 3.75Å; Y36-H39 AromaticContact CZ-CG 3.99Å; Y36-H39 WeakPolarHBondContact O-CB 3.48Å; Y36-H39 PolarHBondContact O-N 3.2Å; Y36-V142 WeakPolarHBondContact CE2-O 3.4Å; Y36-V145 WeakPolarHBondContact CE1-O 3.27Å; Y36-V145 VanDerWaalsContact CZ-O 3.32Å; Y36-V145 PolarHBondContact OH-O 3.3Å; Y36-P148 HydrophobicContact CD1-CB 4.2Å; Y36-P148 HydrophobicContact CD1-CG 4.24Å; Y36-S151 VanDerWaalsContact CE1-CB 3.5Å; Y36-S151 WeakPolarHBondContact CE1-OG 3.17Å
37P90.6Very high78.9Confident123 Ų12385.1 Ų85.180%0.79947%0.465SS*.THydrogen-bonded Turntrans-53.7121.3-176.1-28.235.8000113.4
38G91.8Very high80.6Confident39 Ų3985.8 Ų85.840%0.40247%0.469SS..THydrogen-bonded Turntrans82.29.2178.400000115E34 Y36E34-G38 PolarHBondContact OE2-N 3.2Å; Y36-G38 PolarHBondContact O-N 3.32Å
39H94.5Very high82.4Confident10 Ų1084.7 Ų84.75%0.04647%0.468CS..  trans-63.6133169.8174.4-120.9000110.8Y36 R143 V145 D146Y36-H39 HydrophobicContact CD1-CB 4.12Å; Y36-H39 HydrophobicContact CD2-CB 3.93Å; Y36-H39 HydrophobicContact CE1-CB 3.93Å; Y36-H39 AromaticContact CE1-CD2 3.87Å; Y36-H39 AromaticContact CE1-CG 3.98Å; Y36-H39 HydrophobicContact CE2-CB 3.72Å; Y36-H39 HydrophobicContact CG-CB 4.12Å; Y36-H39 AromaticContact CZ-CD2 3.75Å; Y36-H39 AromaticContact CZ-CG 3.99Å; Y36-H39 WeakPolarHBondContact O-CB 3.48Å; Y36-H39 PolarHBondContact O-N 3.2Å; H39-R143 PolarHBondContact CD2-O 3.45Å; H39-R143 VanDerWaalsContact CD2-O 3.22Å; H39-V145 PolarHBondContact CD2-O 3.06Å; H39-D146 IonicContact CE1-OD1 2.76Å; H39-D146 PolarHBondContact CE1-OD1 2.82Å; H39-D146 WeakPolarHBondContact NE2-CA 3.14Å; H39-D146 IonicContact NE2-OD1 2.76Å; H39-D146 PolarHBondContact NE2-OD1 3.5Å
40I93.2Very high84.4Confident73 Ų7381.5 Ų81.537%0.37445%0.45SS..  trans-113104.8175.4-58.2173.4000107.4T42 R143 F144I40-T42 HydrophobicContact CG2-CG2 4.45Å; I40-T42 PolarHBondContact O-N 3.22Å; I40-R143 HydrophobicContact CD1-CB 4.18Å; I40-R143 HydrophobicContact CG1-CB 4.32Å; I40-R143 PolarHBondContact N-O 3.03Å; I40-F144 HydrophobicContact CB-CD1 3.98Å; I40-F144 HydrophobicContact CB-CE1 3.87Å; I40-F144 HydrophobicContact CD1-CE1 3.84Å; I40-F144 HydrophobicContact CD1-CZ 4.1Å; I40-F144 HydrophobicContact CG1-CE1 4.44Å; I40-F144 HydrophobicContact CG2-CD1 4.2Å; I40-F144 HydrophobicContact CG2-CE1 3.87Å
41K91.9Very high86.5Confident111 Ų11176.1 Ų76.148%0.48343%0.429SS..  trans-63.9132174.4-163.3169.1-171.9169.90109.7F30F30-K41 PolarHBondContact O-NZ 3.25Å
42T90.8Very high88.7Confident19 Ų1979 Ų7912%0.11743%0.43CS..  trans-127.6143.4179.255.40000110.3I40 K47 L50 F144I40-T42 HydrophobicContact CG2-CG2 4.45Å; I40-T42 PolarHBondContact O-N 3.22Å; T42-K47 WeakPolarHBondContact OG1-CE 3.3Å; T42-L50 HydrophobicContact CG2-CD1 4.03Å; T42-F144 HydrophobicContact CG2-CD1 3.83Å; T42-F144 HydrophobicContact CG2-CE1 4.4Å
43T92.4Very high90.4Very high78 Ų7873.6 Ų73.648%0.47941%0.412SS..  trans-71.4160.9166.769.50000110.1S45 Q46 K47T43-S45 VanDerWaalsContact C-N 3.26Å; T43-S45 PolarHBondContact O-N 3.1Å; T43-Q46 PolarHBondContact O-N 2.81Å; T43-Q46 VanDerWaalsContact O-N 3.14Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.2Å; T43-Q46 PolarHBondContact OG1-N 3.26Å; T43-Q46 PolarHBondContact OG1-OE1 3.32Å; T43-K47 WeakPolarHBondContact O-CB 3.46Å; T43-K47 PolarHBondContact O-N 3.05Å
44F91.3Very high91.8Very high166 Ų16669.5 Ų69.573%0.72839%0.388SS*.Hα-helixtrans-52.7-45.3174.9178.5-100.2000112Q46 K47 C48F44-Q46 PolarHBondContact O-N 3.21Å; F44-K47 PolarHBondContact O-N 3.05Å; F44-C48 VanDerWaalsContact CZ-SG 3.52Å; F44-C48 PolarHBondContact O-N 2.57Å; F44-C48 PolarHBondContact O-SG 3.04Å; F44-C48 VanDerWaalsContact O-SG 3.36Å
45S93.7Very high92.5Very high88 Ų8864.3 Ų64.362%0.61537%0.367SS*.Hα-helixtrans-63.7-42.1178.3-52.40000112.8T43 C48 L49T43-S45 VanDerWaalsContact C-N 3.26Å; T43-S45 PolarHBondContact O-N 3.1Å; S45-C48 PolarHBondContact O-N 2.89Å; S45-L49 WeakPolarHBondContact O-CB 3.43Å; S45-L49 PolarHBondContact O-N 2.86Å
46Q95.1Very high92.9Very high100 Ų10067 Ų6747%0.46738%0.38SS..Hα-helixtrans-62.8-43.5174.5-74.3169.3-22.500111T43 F44 L49 L50T43-Q46 PolarHBondContact O-N 2.81Å; T43-Q46 VanDerWaalsContact O-N 3.14Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.2Å; T43-Q46 PolarHBondContact OG1-N 3.26Å; T43-Q46 PolarHBondContact OG1-OE1 3.32Å; F44-Q46 PolarHBondContact O-N 3.21Å; Q46-L49 PolarHBondContact O-N 3.23Å; Q46-L50 WeakPolarHBondContact O-CB 3.4Å; Q46-L50 VanDerWaalsContact O-CG 3.27Å; Q46-L50 WeakPolarHBondContact O-CG 3.36Å; Q46-L50 PolarHBondContact O-N 3.44Å
47K93.9Very high92.8Very high26 Ų2666.1 Ų66.111%0.11338%0.382CS..Hα-helixtrans-63.7-42.7178.3-164.6171-63.1-164.30111.7T42 T43 F44 L50 S51 T74 F144 D146T42-K47 WeakPolarHBondContact OG1-CE 3.3Å; T43-K47 WeakPolarHBondContact O-CB 3.46Å; T43-K47 PolarHBondContact O-N 3.05Å; F44-K47 PolarHBondContact O-N 3.05Å; K47-L50 PolarHBondContact O-N 3.3Å; K47-S51 VanDerWaalsContact O-CB 3.28Å; K47-S51 WeakPolarHBondContact O-CB 3.23Å; K47-S51 PolarHBondContact O-N 2.88Å; K47-T74 HydrophobicContact CG-CG2 4.03Å; K47-F144 PolarHBondContact NZ-O 3.14Å; K47-D146 IonicContact NZ-OD2 3.62Å; K47-D146 PolarHBondContact NZ-OD2 2.87Å
48C94.2Very high92.6Very high50 Ų5061.4 Ų61.434%0.33835%0.351SS..Hα-helixtrans-61.5-45.5173.3-72.90000112.2F44 S45 S51 L52F44-C48 VanDerWaalsContact CZ-SG 3.52Å; F44-C48 PolarHBondContact O-N 2.57Å; F44-C48 PolarHBondContact O-SG 3.04Å; F44-C48 VanDerWaalsContact O-SG 3.36Å; S45-C48 PolarHBondContact O-N 2.89Å; C48-S51 PolarHBondContact O-N 2.82Å; C48-L52 WeakPolarHBondContact O-CG 3.48Å; C48-L52 PolarHBondContact O-N 3.47Å
49L96Very high92.3Very high128 Ų12862.8 Ų62.867%0.6735%0.349SS*.Hα-helixtrans-63.4-45.3178.6-178.763.7000111.5S45 Q46 L52 G53S45-L49 WeakPolarHBondContact O-CB 3.43Å; S45-L49 PolarHBondContact O-N 2.86Å; Q46-L49 PolarHBondContact O-N 3.23Å; L49-L52 PolarHBondContact O-N 2.78Å; L49-G53 PolarHBondContact O-N 2.99Å
50L94.8Very high92Very high60 Ų6068.7 Ų68.731%0.31438%0.38SS..Hα-helixtrans-60.5-45.6175.7-74.1170.7000111.2T42 Q46 K47 S54 T70 T74 F144T42-L50 HydrophobicContact CG2-CD1 4.03Å; Q46-L50 WeakPolarHBondContact O-CB 3.4Å; Q46-L50 VanDerWaalsContact O-CG 3.27Å; Q46-L50 WeakPolarHBondContact O-CG 3.36Å; Q46-L50 PolarHBondContact O-N 3.44Å; K47-L50 PolarHBondContact O-N 3.3Å; L50-S54 WeakPolarHBondContact O-CB 3.3Å; L50-S54 PolarHBondContact O-N 2.89Å; L50-S54 PolarHBondContact O-OG 3.4Å; L50-T70 HydrophobicContact CB-CG2 4.23Å; L50-T70 HydrophobicContact CD2-CG2 4.36Å; L50-T74 HydrophobicContact CB-CG2 3.92Å; L50-T74 HydrophobicContact CD1-CG2 4.31Å; L50-F144 HydrophobicContact CD1-CD1 4.17Å; L50-F144 HydrophobicContact CD1-CE1 4.08Å
51S93.9Very high91.6Very high20 Ų2068.6 Ų68.614%0.1438%0.38CS..Hα-helixtrans-59.6-51.6178178.20000111.8K47 C48 S54 G55 F71 T74K47-S51 VanDerWaalsContact O-CB 3.28Å; K47-S51 WeakPolarHBondContact O-CB 3.23Å; K47-S51 PolarHBondContact O-N 2.88Å; C48-S51 PolarHBondContact O-N 2.82Å; S51-S54 PolarHBondContact O-OG 3.01Å; S51-G55 PolarHBondContact O-N 3.32Å; S51-F71 VanDerWaalsContact O-CD2 3.26Å; S51-F71 WeakPolarHBondContact O-CD2 3.4Å; S51-T74 WeakPolarHBondContact CA-OG1 3.47Å; S51-T74 WeakPolarHBondContact CB-OG1 3.47Å; S51-T74 PolarHBondContact N-OG1 3.14Å
52L93.8Very high91Very high116 Ų11666.6 Ų66.661%0.60738%0.378SS*.Hα-helixtrans-64.2-48.8179.5-70.6171000112C48 L49 G55 I56C48-L52 WeakPolarHBondContact O-CG 3.48Å; C48-L52 PolarHBondContact O-N 3.47Å; L49-L52 PolarHBondContact O-N 2.78Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-I56 WeakPolarHBondContact O-CG1 3.23Å; L52-I56 PolarHBondContact O-N 2.73Å
53G94.2Very high90.5Very high44 Ų4476.8 Ų76.845%0.45441%0.414SS..Hα-helixtrans-63.7-44.9-17800000112.6L49 G57L49-G53 PolarHBondContact O-N 2.99Å; G53-G57 PolarHBondContact O-N 3.42Å
54S92.8Very high90.2Very high6 Ų678.2 Ų78.24%0.04241%0.411CS..Hα-helixtrans-70.3-36.5178.263.90000112.6L50 S51 G57 C58 L67 F71L50-S54 WeakPolarHBondContact O-CB 3.3Å; L50-S54 PolarHBondContact O-N 2.89Å; L50-S54 PolarHBondContact O-OG 3.4Å; S51-S54 PolarHBondContact O-OG 3.01Å; S54-G57 PolarHBondContact O-N 2.81Å; S54-C58 VanDerWaalsContact O-CB 3.27Å; S54-C58 WeakPolarHBondContact O-CB 3.47Å; S54-C58 PolarHBondContact O-N 3.37Å; S54-L67 WeakPolarHBondContact CB-O 3.5Å; S54-F71 WeakPolarHBondContact OG-CA 3.32Å; S54-F71 WeakPolarHBondContact OG-CB 3.49Å; S54-F71 PolarHBondContact OG-N 3.26Å
55G89.9Confident89.9Confident12 Ų1273.1 Ų73.112%0.12440%0.399CS..Hα-helixtrans-61.3-50.5173.700000112.3S51 L52 C58 L59S51-G55 PolarHBondContact O-N 3.32Å; L52-G55 PolarHBondContact O-N 3.38Å; G55-C58 PolarHBondContact O-N 3.31Å; G55-L59 WeakPolarHBondContact O-CG 3.2Å; G55-L59 PolarHBondContact O-N 3.32Å; G55-L59 VanDerWaalsContact O-N 3.11Å
56I90.2Very high89.7Confident103 Ų10371.5 Ų71.553%0.52838%0.384SS..Hα-helixtrans-61.7-46.4175.8-67168.2000110.5L52 C58 L59 I60L52-I56 WeakPolarHBondContact O-CG1 3.23Å; L52-I56 PolarHBondContact O-N 2.73Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 PolarHBondContact O-N 2.71Å; I56-L59 WeakPolarHBondContact O-CB 3.47Å; I56-L59 PolarHBondContact O-N 2.84Å; I56-L59 VanDerWaalsContact O-N 3.11Å; I56-I60 HydrophobicContact CG2-CD1 3.82Å; I56-I60 HydrophobicContact CG2-CG1 4.45Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 3.03Å
57G90.6Very high89.5Confident17 Ų1768.4 Ų68.418%0.17537%0.37CS..Hα-helixtrans-61.5-37.818000000113G53 S54 I60 N61G53-G57 PolarHBondContact O-N 3.42Å; S54-G57 PolarHBondContact O-N 2.81Å; G57-I60 PolarHBondContact O-N 3.31Å; G57-N61 PolarHBondContact O-N 2.9Å
58C86.5Confident89.3Confident23 Ų2369.4 Ų69.416%0.15538%0.377CS..Hα-helixtrans-66.9-35.8174.5-171.60000112.2S54 G55 I56 N61 P62 L67S54-C58 VanDerWaalsContact O-CB 3.27Å; S54-C58 WeakPolarHBondContact O-CB 3.47Å; S54-C58 PolarHBondContact O-N 3.37Å; G55-C58 PolarHBondContact O-N 3.31Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 PolarHBondContact O-N 2.71Å; C58-N61 CarbonylContact O-C 3.55Å; C58-P62 WeakPolarHBondContact O-CA 3.39Å; C58-L67 HydrophobicContact CB-CB 4.46Å
59L84.6Confident89.2Confident68 Ų6868 Ų6836%0.35637%0.368SS..Hα-helixtrans-66.5-40172.9-70.3174.2000111.2G55 I56 F199 R203G55-L59 WeakPolarHBondContact O-CG 3.2Å; G55-L59 PolarHBondContact O-N 3.32Å; G55-L59 VanDerWaalsContact O-N 3.11Å; I56-L59 WeakPolarHBondContact O-CB 3.47Å; I56-L59 PolarHBondContact O-N 2.84Å; I56-L59 VanDerWaalsContact O-N 3.11Å; L59-F199 HydrophobicContact CD2-CB 4Å; L59-F199 HydrophobicContact CD2-CD2 4.16Å; L59-F199 HydrophobicContact CD2-CG 4.07Å; L59-R203 PolarHBondContact O-NH1 3.09Å; L59-R203 PolarHBondContact O-NH2 3.16Å
60I87.4Confident89.2Confident135 Ų13563 Ų6369%0.69234%0.342SS*.Hα-helixtrans-70-45.1178.8-65.9169.7000111I56 G57I56-I60 HydrophobicContact CG2-CD1 3.82Å; I56-I60 HydrophobicContact CG2-CG1 4.45Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 3.03Å; G57-I60 PolarHBondContact O-N 3.31Å
61N85.1Confident89.2Confident70 Ų7061.6 Ų61.637%0.37433%0.334SS..  trans-131.892.5-179.3-173.3-4.6000111.5G57 C58 R63 R64G57-N61 PolarHBondContact O-N 2.9Å; C58-N61 CarbonylContact O-C 3.55Å; N61-R63 PolarHBondContact O-N 3.22Å; N61-R63 VanDerWaalsContact O-N 3.08Å; N61-R63 WeakPolarHBondContact OD1-CB 3.42Å; N61-R63 PolarHBondContact OD1-N 3.16Å; N61-R63 VanDerWaalsContact OD1-N 3.15Å; N61-R64 HydrophobicContact CB-CG 4.06Å; N61-R64 WeakPolarHBondContact O-CB 3.32Å; N61-R64 PolarHBondContact O-N 3.39Å; N61-R64 VanDerWaalsContact O-N 3.16Å
62P78.9Confident89.2Confident69 Ų6960.6 Ų60.645%0.44833%0.327SS..THydrogen-bonded Turntrans-62.6-15.9-179.9-25.235.2000114.9C58 R64C58-P62 WeakPolarHBondContact O-CA 3.39Å; P62-R64 PolarHBondContact O-N 3.4Å
63R80.7Confident89.3Confident234 Ų23455.5 Ų55.588%0.88330%0.3SS*.THydrogen-bonded Turntrans-77.6-7.5178.8-61.1-175.3179.7-178-0.1113.1N61 A65N61-R63 PolarHBondContact O-N 3.22Å; N61-R63 VanDerWaalsContact O-N 3.08Å; N61-R63 WeakPolarHBondContact OD1-CB 3.42Å; N61-R63 PolarHBondContact OD1-N 3.16Å; N61-R63 VanDerWaalsContact OD1-N 3.15Å; R63-A65 PolarHBondContact O-N 3.42Å; R63-A65 VanDerWaalsContact O-N 3.09Å
64R86.4Confident89.4Confident107 Ų10754 Ų5440%0.40428%0.282SS..  trans-82.978.7178.3-70-68.7-61.5-93.7-2.3111N61 P62 D66 L67 L68N61-R64 HydrophobicContact CB-CG 4.06Å; N61-R64 WeakPolarHBondContact O-CB 3.32Å; N61-R64 PolarHBondContact O-N 3.39Å; N61-R64 VanDerWaalsContact O-N 3.16Å; P62-R64 PolarHBondContact O-N 3.4Å; R64-D66 WeakPolarHBondContact CA-OD1 3.27Å; R64-D66 WeakPolarHBondContact CB-OD1 3.38Å; R64-D66 IonicContact CZ-OD1 3.84Å; R64-D66 IonicContact CZ-OD2 3.29Å; R64-D66 IonicContact NE-OD1 3.44Å; R64-D66 PolarHBondContact NE-OD1 3.1Å; R64-D66 IonicContact NE-OD2 2.99Å; R64-D66 PolarHBondContact NE-OD2 2.99Å; R64-D66 IonicContact NH2-OD1 2.73Å; R64-D66 IonicContact NH2-OD2 2.78Å; R64-D66 PolarHBondContact NH2-OD2 3.18Å; R64-D66 PolarHBondContact O-N 3.29Å; R64-L67 HydrophobicContact CB-CB 4.03Å; R64-L67 HydrophobicContact CB-CD1 3.7Å; R64-L67 HydrophobicContact CB-CG 3.8Å; R64-L67 HydrophobicContact CG-CD1 4.05Å; R64-L67 PolarHBondContact O-N 3.38Å; R64-L68 PolarHBondContact O-N 3.23Å; R64-L68 VanDerWaalsContact O-N 3.16Å
65A84.5Confident89.5Confident59 Ų5955.3 Ų55.349%0.48829%0.291SS..Hα-helixtrans-58.9-28.1178.600000113.2R63 S69R63-A65 PolarHBondContact O-N 3.42Å; R63-A65 VanDerWaalsContact O-N 3.09Å; A65-S69 VanDerWaalsContact O-CB 3.27Å; A65-S69 WeakPolarHBondContact O-CB 3.41Å; A65-S69 PolarHBondContact O-N 3.03Å; A65-S69 PolarHBondContact O-OG 2.7Å
66D89.3Confident89.7Confident54 Ų5454.7 Ų54.729%0.28929%0.285SS..Hα-helixtrans-64.4-40.5173.163.4-50.3000112.5R64 S69 T70R64-D66 WeakPolarHBondContact CA-OD1 3.27Å; R64-D66 WeakPolarHBondContact CB-OD1 3.38Å; R64-D66 IonicContact CZ-OD1 3.84Å; R64-D66 IonicContact CZ-OD2 3.29Å; R64-D66 IonicContact NE-OD1 3.44Å; R64-D66 PolarHBondContact NE-OD1 3.1Å; R64-D66 IonicContact NE-OD2 2.99Å; R64-D66 PolarHBondContact NE-OD2 2.99Å; R64-D66 IonicContact NH2-OD1 2.73Å; R64-D66 IonicContact NH2-OD2 2.78Å; R64-D66 PolarHBondContact NH2-OD2 3.18Å; R64-D66 PolarHBondContact O-N 3.29Å; D66-S69 WeakPolarHBondContact O-CB 3.49Å; D66-S69 PolarHBondContact O-N 2.96Å; D66-T70 WeakPolarHBondContact O-CB 3.39Å; D66-T70 PolarHBondContact O-N 3.36Å; D66-T70 PolarHBondContact O-OG1 3.05Å
67L92.4Very high90Very high35 Ų3553.7 Ų53.718%0.18328%0.278CS..Hα-helixtrans-71.3-42.6176.9-62.8-178.1000111.1S54 C58 R64 S69 T70 F71S54-L67 WeakPolarHBondContact CB-O 3.5Å; C58-L67 HydrophobicContact CB-CB 4.46Å; R64-L67 HydrophobicContact CB-CB 4.03Å; R64-L67 HydrophobicContact CB-CD1 3.7Å; R64-L67 HydrophobicContact CB-CG 3.8Å; R64-L67 HydrophobicContact CG-CD1 4.05Å; R64-L67 PolarHBondContact O-N 3.38Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 3.19Å; L67-T70 PolarHBondContact O-N 3.43Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 3.44Å
68L89.9Confident90.3Very high48 Ų4858.6 Ų58.625%0.25130%0.3SS..Hα-helixtrans-59.2-41.8174.3-177.362.4000111.4R64 F71 G72 M192R64-L68 PolarHBondContact O-N 3.23Å; R64-L68 VanDerWaalsContact O-N 3.16Å; L68-F71 PolarHBondContact O-N 3.49Å; L68-G72 PolarHBondContact O-N 2.97Å; L68-M192 HydrophobicContact CD1-CB 4.01Å; L68-M192 HydrophobicContact CD1-CE 3.98Å; L68-M192 HydrophobicContact CD2-CE 4.2Å; L68-M192 HydrophobicContact CG-CE 3.84Å
69S91.6Very high90.8Very high20 Ų2057.9 Ų57.914%0.1430%0.295CS..Hα-helixtrans-60.9-50.4175.8-67.90000111.5A65 D66 L67 F71 G72 E73 R158A65-S69 VanDerWaalsContact O-CB 3.27Å; A65-S69 WeakPolarHBondContact O-CB 3.41Å; A65-S69 PolarHBondContact O-N 3.03Å; A65-S69 PolarHBondContact O-OG 2.7Å; D66-S69 WeakPolarHBondContact O-CB 3.49Å; D66-S69 PolarHBondContact O-N 2.96Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 3.19Å; S69-F71 VanDerWaalsContact C-N 3.34Å; S69-F71 PolarHBondContact O-N 2.96Å; S69-G72 PolarHBondContact O-N 2.72Å; S69-E73 WeakPolarHBondContact O-CG 3.42Å; S69-E73 PolarHBondContact O-N 2.69Å; S69-E73 VanDerWaalsContact O-N 3.08Å; S69-R158 VanDerWaalsContact C-NH2 3.29Å; S69-R158 PolarHBondContact O-NH2 2.86Å
70T94.8Very high91.5Very high23 Ų2354.6 Ų54.614%0.14128%0.278CS..Hα-helixtrans-60.1-43.8178.1-56.30000111.4L50 D66 L67 G72 E73 T74 F144L50-T70 HydrophobicContact CB-CG2 4.23Å; L50-T70 HydrophobicContact CD2-CG2 4.36Å; D66-T70 WeakPolarHBondContact O-CB 3.39Å; D66-T70 PolarHBondContact O-N 3.36Å; D66-T70 PolarHBondContact O-OG1 3.05Å; L67-T70 PolarHBondContact O-N 3.43Å; T70-G72 PolarHBondContact O-N 3.08Å; T70-E73 PolarHBondContact O-N 2.85Å; T70-T74 HydrophobicContact CG2-CG2 4.29Å; T70-T74 WeakPolarHBondContact O-CB 3.23Å; T70-T74 WeakPolarHBondContact O-CG2 3.34Å; T70-T74 PolarHBondContact O-N 3.29Å; T70-T74 PolarHBondContact O-OG1 3.5Å; T70-F144 HydrophobicContact CG2-CD2 4.25Å; T70-F144 HydrophobicContact CG2-CE2 4.02Å
71F95.6Very high92Very high30 Ų3052 Ų5213%0.13226%0.259CS..Hα-helixtrans-61.6-44.7177.8-179.4-124.5000111.4S51 S54 L67 L68 S69 E73 S75 P191 M192S51-F71 VanDerWaalsContact O-CD2 3.26Å; S51-F71 WeakPolarHBondContact O-CD2 3.4Å; S54-F71 WeakPolarHBondContact OG-CA 3.32Å; S54-F71 WeakPolarHBondContact OG-CB 3.49Å; S54-F71 PolarHBondContact OG-N 3.26Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 3.44Å; L68-F71 PolarHBondContact O-N 3.49Å; S69-F71 VanDerWaalsContact C-N 3.34Å; S69-F71 PolarHBondContact O-N 2.96Å; F71-E73 PolarHBondContact O-N 3.13Å; F71-S75 VanDerWaalsContact O-CB 3.27Å; F71-S75 WeakPolarHBondContact O-CB 3.46Å; F71-S75 PolarHBondContact O-N 2.99Å; F71-S75 PolarHBondContact O-OG 3.49Å; F71-P191 HydrophobicContact CZ-CB 4.32Å; F71-M192 HydrophobicContact CD1-CB 3.81Å; F71-M192 HydrophobicContact CE1-CB 4.15Å
72G94.3Very high92.6Very high0 Ų053.8 Ų53.80%026%0.264CS..Hα-helixtrans-57.9-47176.400000113.4L68 S69 T70 G76 M192L68-G72 PolarHBondContact O-N 2.97Å; S69-G72 PolarHBondContact O-N 2.72Å; T70-G72 PolarHBondContact O-N 3.08Å; G72-G76 WeakPolarHBondContact O-CA 3.4Å; G72-G76 PolarHBondContact O-N 3.32Å; G72-G76 VanDerWaalsContact O-N 3.08Å; G72-M192 WeakPolarHBondContact CA-SD 3.4Å
73E95.6Very high93.5Very high8 Ų850.7 Ų50.74%0.03724%0.244CC..Hα-helixtrans-68.5-41.9-178-67.6176.6-14400112.6S69 T70 F71 V142 R143 F144 V145 M154 R158S69-E73 WeakPolarHBondContact O-CG 3.42Å; S69-E73 PolarHBondContact O-N 2.69Å; S69-E73 VanDerWaalsContact O-N 3.08Å; T70-E73 PolarHBondContact O-N 2.85Å; F71-E73 PolarHBondContact O-N 3.13Å; E73-V142 HydrophobicContact CG-CG1 4.02Å; E73-R143 PolarHBondContact OE2-N 2.71Å; E73-F144 HydrophobicContact CB-CB 4.07Å; E73-F144 WeakPolarHBondContact OE2-CD2 3.02Å; E73-F144 PolarHBondContact OE2-N 2.85Å; E73-V145 HydrophobicContact CB-CG2 3.99Å; E73-V145 HydrophobicContact CG-CG2 4.18Å; E73-M154 HydrophobicContact CG-CE 4.27Å; E73-M154 HydrophobicContact CG-CG 4.18Å; E73-R158 VanDerWaalsContact CD-NH2 3.32Å; E73-R158 IonicContact OE1-CZ 3.63Å; E73-R158 IonicContact OE1-NH1 3Å; E73-R158 PolarHBondContact OE1-NH1 2.77Å; E73-R158 IonicContact OE1-NH2 3.36Å; E73-R158 PolarHBondContact OE1-NH2 3.25Å
74T95.8Very high94.4Very high13 Ų1339.7 Ų39.78%0.0820%0.202CC..Hα-helixtrans-86.5-18.4-171.556.80000113.6K47 L50 S51 T70 F144K47-T74 HydrophobicContact CG-CG2 4.03Å; L50-T74 HydrophobicContact CB-CG2 3.92Å; L50-T74 HydrophobicContact CD1-CG2 4.31Å; S51-T74 WeakPolarHBondContact CA-OG1 3.47Å; S51-T74 WeakPolarHBondContact CB-OG1 3.47Å; S51-T74 PolarHBondContact N-OG1 3.14Å; T70-T74 HydrophobicContact CG2-CG2 4.29Å; T70-T74 WeakPolarHBondContact O-CB 3.23Å; T70-T74 WeakPolarHBondContact O-CG2 3.34Å; T70-T74 PolarHBondContact O-N 3.29Å; T70-T74 PolarHBondContact O-OG1 3.5Å; T74-F144 HydrophobicContact CG2-CB 3.82Å; T74-F144 HydrophobicContact CG2-CD2 4.42Å; T74-F144 HydrophobicContact CG2-CG 4.19Å
75S94.9Very high94.9Very high33 Ų3337.7 Ų37.723%0.23120%0.2CC..Hα-helixtrans-103.3-16.6174.869.20000114F71F71-S75 VanDerWaalsContact O-CB 3.27Å; F71-S75 WeakPolarHBondContact O-CB 3.46Å; F71-S75 PolarHBondContact O-N 2.99Å; F71-S75 PolarHBondContact O-OG 3.49Å
76G95.3Very high95.5Very high0 Ų040.7 Ų40.70%020%0.198CC..  trans-87.6-4-162.800000116.7G72 L78 A79 L80G72-G76 WeakPolarHBondContact O-CA 3.4Å; G72-G76 PolarHBondContact O-N 3.32Å; G72-G76 VanDerWaalsContact O-N 3.08Å; G76-L78 PolarHBondContact O-N 3.41Å; G76-A79 CarbonylContact O-C 3.52Å; G76-A79 WeakPolarHBondContact O-CA 3.43Å; G76-A79 WeakPolarHBondContact O-CB 3.3Å; G76-A79 PolarHBondContact O-N 3.48Å; G76-L80 WeakPolarHBondContact O-CG 3.32Å; G76-L80 PolarHBondContact O-N 3.33Å
77E95.7Very high96Very high81 Ų8138.1 Ų38.138%0.37918%0.184SC..Hα-helixtrans-53.4-47.6-165.3-170.7-178.4153.800113.9A79 L80 R81 L150E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 2.98Å; E77-L80 PolarHBondContact O-N 3.25Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-R81 IonicContact OE1-CZ 3.64Å; E77-R81 IonicContact OE1-NE 3.63Å; E77-R81 PolarHBondContact OE1-NE 3.31Å; E77-R81 VanDerWaalsContact OE1-NE 3.09Å; E77-R81 IonicContact OE1-NH2 2.68Å; E77-R81 PolarHBondContact OE1-NH2 2.93Å; E77-L150 HydrophobicContact CG-CD1 4.43Å
78L96.7Very high96.2Very high121 Ų12136.7 Ų36.763%0.63418%0.177SC*.Hα-helixtrans-63.1-39.6178.8-178.962.1000112G76 K82G76-L78 PolarHBondContact O-N 3.41Å; L78-K82 WeakPolarHBondContact O-CG 3.31Å; L78-K82 PolarHBondContact O-N 3.43Å; L78-K82 VanDerWaalsContact O-N 3.15Å
79A98.1Very high96.5Very high7 Ų740.1 Ų40.16%0.05820%0.196CC..Hα-helixtrans-67.1-44.5176.300000110.8G76 E77 R81 K82 I83 L189 L190G76-A79 CarbonylContact O-C 3.52Å; G76-A79 WeakPolarHBondContact O-CA 3.43Å; G76-A79 WeakPolarHBondContact O-CB 3.3Å; G76-A79 PolarHBondContact O-N 3.48Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 2.98Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.31Å; A79-K82 WeakPolarHBondContact O-CA 3.17Å; A79-K82 WeakPolarHBondContact O-CB 3.41Å; A79-K82 PolarHBondContact O-N 2.93Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.31Å; A79-I83 PolarHBondContact O-N 2.85Å; A79-L189 WeakPolarHBondContact CB-O 3.44Å; A79-L190 HydrophobicContact CB-CD2 3.97Å; A79-L190 HydrophobicContact CB-CG 4.28Å
80L98.3Very high96.7Very high0 Ų041 Ų410%020%0.198CC..Hα-helixtrans-57.6-44.3175.7-67.9173.9000111.8G76 E77 K82 I83 F84 V145 L150 V153 M154 L190G76-L80 WeakPolarHBondContact O-CG 3.32Å; G76-L80 PolarHBondContact O-N 3.33Å; E77-L80 PolarHBondContact O-N 3.25Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 3.46Å; L80-I83 HydrophobicContact CD2-CD1 4.43Å; L80-I83 PolarHBondContact O-N 3.2Å; L80-F84 WeakPolarHBondContact O-CB 3.34Å; L80-F84 PolarHBondContact O-N 3.36Å; L80-V145 HydrophobicContact CD1-CG1 4.18Å; L80-V145 HydrophobicContact CD1-CG2 3.87Å; L80-L150 HydrophobicContact CB-CB 4.3Å; L80-L150 HydrophobicContact CB-CD2 4.34Å; L80-V153 HydrophobicContact CD2-CB 4.43Å; L80-V153 HydrophobicContact CD2-CG1 3.89Å; L80-M154 HydrophobicContact CD1-CB 4.04Å; L80-M154 HydrophobicContact CD1-SD 4.5Å; L80-M154 HydrophobicContact CD2-CB 3.74Å; L80-M154 HydrophobicContact CD2-CG 4.4Å; L80-M154 HydrophobicContact CD2-SD 3.94Å; L80-L190 HydrophobicContact CD2-CD2 4.1Å; L80-L190 HydrophobicContact CG-CD2 4.24Å
81R98Very high96.7Very high79 Ų7942.5 Ų42.530%0.29821%0.207SC..Hα-helixtrans-60.9-38.7174.5-70.7-180-173.4-77.44.3112.2E77 A79 N85 L150E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-R81 IonicContact OE1-CZ 3.64Å; E77-R81 IonicContact OE1-NE 3.63Å; E77-R81 PolarHBondContact OE1-NE 3.31Å; E77-R81 VanDerWaalsContact OE1-NE 3.09Å; E77-R81 IonicContact OE1-NH2 2.68Å; E77-R81 PolarHBondContact OE1-NH2 2.93Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.31Å; R81-N85 WeakPolarHBondContact O-CB 3.4Å; R81-N85 PolarHBondContact O-N 3.18Å; R81-N85 PolarHBondContact O-ND2 2.84Å; R81-L150 HydrophobicContact CG-CD1 3.54Å; R81-L150 HydrophobicContact CG-CD2 4.2Å
82K98Very high96.8Very high109 Ų10942.7 Ų42.747%0.47421%0.21SC..Hα-helixtrans-67.4-43.6175.6-73.1178.4-179.6-178.10111.8L78 A79 L80 N85 R86 L189L78-K82 WeakPolarHBondContact O-CG 3.31Å; L78-K82 PolarHBondContact O-N 3.43Å; L78-K82 VanDerWaalsContact O-N 3.15Å; A79-K82 WeakPolarHBondContact O-CA 3.17Å; A79-K82 WeakPolarHBondContact O-CB 3.41Å; A79-K82 PolarHBondContact O-N 2.93Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 3.46Å; K82-N85 PolarHBondContact O-N 3.07Å; K82-R86 WeakPolarHBondContact O-CB 3.35Å; K82-R86 PolarHBondContact O-N 2.98Å; K82-L189 HydrophobicContact CD-CD1 4.22Å
83I98.6Very high96.9Very high3 Ų342.7 Ų42.72%0.01521%0.21CC..Hα-helixtrans-60.9-50.3176.7-63.8162.5000109.8A79 L80 N85 R86 M87 V153 T188 L190 F229 M231A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.31Å; A79-I83 PolarHBondContact O-N 2.85Å; L80-I83 HydrophobicContact CD2-CD1 4.43Å; L80-I83 PolarHBondContact O-N 3.2Å; I83-N85 PolarHBondContact O-N 3.15Å; I83-R86 WeakPolarHBondContact O-CB 3.17Å; I83-R86 PolarHBondContact O-N 2.92Å; I83-R86 VanDerWaalsContact O-N 3.09Å; I83-M87 HydrophobicContact CG2-CG 4.36Å; I83-M87 HydrophobicContact CG2-SD 3.92Å; I83-M87 WeakPolarHBondContact O-CG 3.02Å; I83-M87 PolarHBondContact O-N 2.83Å; I83-V153 HydrophobicContact CB-CG1 3.85Å; I83-V153 HydrophobicContact CD1-CG1 4.48Å; I83-V153 HydrophobicContact CG2-CG1 3.36Å; I83-T188 HydrophobicContact CD1-CG2 4.2Å; I83-L190 HydrophobicContact CD1-CD1 4.27Å; I83-L190 HydrophobicContact CD1-CG 4.12Å; I83-F229 HydrophobicContact CB-CZ 4.3Å; I83-F229 HydrophobicContact CG1-CZ 4.14Å; I83-F229 HydrophobicContact CG2-CE1 4.09Å; I83-F229 HydrophobicContact CG2-CZ 3.84Å; I83-M231 HydrophobicContact CG2-CB 4.22Å; I83-M231 HydrophobicContact CG2-CE 4.18Å; I83-M231 HydrophobicContact CG2-CG 3.91Å
84F98.3Very high97Very high4 Ų442.6 Ų42.62%0.01821%0.21CC..Hα-helixtrans-55.5-48.9178.1-178.3-101.6000111.9H20 L80 R86 M87 L88 L97 D149 L150 V153H20-F84 HydrophobicContact CB-CE1 3.85Å; H20-F84 HydrophobicContact CB-CZ 3.75Å; H20-F84 AromaticContact CD2-CD1 3.73Å; H20-F84 AromaticContact CD2-CE1 3.07Å; H20-F84 WeakPolarHBondContact CD2-CE1 2.85Å; H20-F84 AromaticContact CD2-CZ 3.25Å; H20-F84 WeakPolarHBondContact CD2-CZ 3.38Å; H20-F84 AromaticContact CG-CE1 3.38Å; H20-F84 AromaticContact CG-CZ 3.65Å; H20-F84 AromaticContact ND1-CE1 3.98Å; H20-F84 AromaticContact NE2-CD1 3.72Å; H20-F84 AromaticContact NE2-CE1 3.52Å; L80-F84 WeakPolarHBondContact O-CB 3.34Å; L80-F84 PolarHBondContact O-N 3.36Å; F84-R86 VanDerWaalsContact C-N 3.34Å; F84-R86 PolarHBondContact O-N 3.12Å; F84-M87 PolarHBondContact O-N 3.14Å; F84-L88 HydrophobicContact CD1-CD1 3.89Å; F84-L88 HydrophobicContact CD1-CG 4.35Å; F84-L88 HydrophobicContact CE1-CD1 3.25Å; F84-L88 HydrophobicContact CE1-CG 3.89Å; F84-L88 HydrophobicContact CZ-CD1 3.72Å; F84-L88 HydrophobicContact CZ-CD2 4.27Å; F84-L88 HydrophobicContact CZ-CG 3.98Å; F84-L88 PolarHBondContact O-N 2.7Å; F84-L97 HydrophobicContact CD2-CD1 3.75Å; F84-L97 HydrophobicContact CD2-CD2 3.74Å; F84-L97 HydrophobicContact CD2-CG 4.39Å; F84-L97 HydrophobicContact CE2-CD1 3.55Å; F84-L97 HydrophobicContact CE2-CD2 3.79Å; F84-L97 HydrophobicContact CE2-CG 4.21Å; F84-L97 HydrophobicContact CZ-CD1 4.25Å; F84-D149 HydrophobicContact CD2-CB 4.18Å; F84-D149 HydrophobicContact CE2-CB 3.63Å; F84-D149 HydrophobicContact CZ-CB 4.06Å; F84-L150 HydrophobicContact CB-CD2 3.7Å; F84-L150 HydrophobicContact CG-CD2 4.04Å; F84-V153 HydrophobicContact CB-CG2 4.08Å; F84-V153 HydrophobicContact CD2-CG2 3.8Å; F84-V153 HydrophobicContact CG-CG2 4.44Å
85N97.6Very high97.1Very high65 Ų6544.9 Ų44.935%0.34822%0.217SC..Hα-helixtrans-63-38.3176.6-81.1-61.8000112.7R81 K82 I83 M87 L88 N89R81-N85 WeakPolarHBondContact O-CB 3.4Å; R81-N85 PolarHBondContact O-N 3.18Å; R81-N85 PolarHBondContact O-ND2 2.84Å; K82-N85 PolarHBondContact O-N 3.07Å; I83-N85 PolarHBondContact O-N 3.15Å; N85-M87 VanDerWaalsContact C-N 3.33Å; N85-L88 PolarHBondContact O-N 2.76Å; N85-N89 PolarHBondContact O-N 3.2Å; N85-N89 PolarHBondContact O-ND2 2.76Å
86R97.7Very high97.2Very high121 Ų12143.3 Ų43.346%0.45721%0.206SC..Hα-helixtrans-65.6-38.1175.7-171.2171.8-178.6-177.82.6111.5K82 I83 F84 N89 Q187 F229K82-R86 WeakPolarHBondContact O-CB 3.35Å; K82-R86 PolarHBondContact O-N 2.98Å; I83-R86 WeakPolarHBondContact O-CB 3.17Å; I83-R86 PolarHBondContact O-N 2.92Å; I83-R86 VanDerWaalsContact O-N 3.09Å; F84-R86 VanDerWaalsContact C-N 3.34Å; F84-R86 PolarHBondContact O-N 3.12Å; R86-N89 PolarHBondContact O-N 2.76Å; R86-Q187 PolarHBondContact NH1-O 2.88Å; R86-F229 HydrophobicContact CB-CD1 4.34Å; R86-F229 HydrophobicContact CB-CE1 3.97Å; R86-F229 HydrophobicContact CG-CD1 3.7Å; R86-F229 HydrophobicContact CG-CE1 3.82Å; R86-F229 HydrophobicContact CG-CG 4.39Å
87M98.1Very high97.4Very high0 Ų043.6 Ų43.60%021%0.208CC..Hα-helixtrans-66.3-44.9174.4-69.8175.576.600111.9I83 F84 N85 N89 H90 G93 C94 I96 L97 V153 F229 M231I83-M87 HydrophobicContact CG2-CG 4.36Å; I83-M87 HydrophobicContact CG2-SD 3.92Å; I83-M87 WeakPolarHBondContact O-CG 3.02Å; I83-M87 PolarHBondContact O-N 2.83Å; F84-M87 PolarHBondContact O-N 3.14Å; N85-M87 VanDerWaalsContact C-N 3.33Å; M87-N89 PolarHBondContact O-N 2.95Å; M87-H90 PolarHBondContact O-N 3.35Å; M87-G93 CarbonylContact O-C 3.59Å; M87-G93 VanDerWaalsContact O-C 3.24Å; M87-G93 VanDerWaalsContact O-CA 3.31Å; M87-G93 WeakPolarHBondContact O-CA 3.27Å; M87-C94 PolarHBondContact O-N 3Å; M87-C94 VanDerWaalsContact O-N 3.13Å; M87-I96 HydrophobicContact CE-CB 4.14Å; M87-I96 HydrophobicContact CE-CG2 3.5Å; M87-I96 VanDerWaalsContact CE-CG2 3.5Å; M87-L97 HydrophobicContact CB-CD1 3.65Å; M87-L97 HydrophobicContact CB-CG 4.08Å; M87-L97 HydrophobicContact CE-CD2 3.79Å; M87-L97 HydrophobicContact CE-CG 3.9Å; M87-L97 HydrophobicContact SD-CD2 4.1Å; M87-L97 HydrophobicContact SD-CG 4.45Å; M87-V153 HydrophobicContact SD-CG2 4.15Å; M87-F229 HydrophobicContact CG-CE1 4.23Å; M87-M231 HydrophobicContact CG-CB 4.33Å; M87-M231 HydrophobicContact SD-CB 4.12Å; M87-M231 HydrophobicContact SD-CE 4.36Å
88L96.7Very high97.4Very high6 Ų645.4 Ų45.43%0.03121%0.211CC..Hα-helixtrans-60.4-24.5175.5-79.1-178.4000113.9C13 L16 R17 F84 N85 H90 C94 L97C13-L88 PolarHBondContact SG-O 2.92Å; L16-L88 HydrophobicContact CB-CD2 3.79Å; L16-L88 HydrophobicContact CD1-CD2 4.35Å; R17-L88 HydrophobicContact CB-CD1 4.05Å; R17-L88 HydrophobicContact CG-CD1 4.24Å; F84-L88 HydrophobicContact CD1-CD1 3.89Å; F84-L88 HydrophobicContact CD1-CG 4.35Å; F84-L88 HydrophobicContact CE1-CD1 3.25Å; F84-L88 HydrophobicContact CE1-CG 3.89Å; F84-L88 HydrophobicContact CZ-CD1 3.72Å; F84-L88 HydrophobicContact CZ-CD2 4.27Å; F84-L88 HydrophobicContact CZ-CG 3.98Å; F84-L88 PolarHBondContact O-N 2.7Å; N85-L88 PolarHBondContact O-N 2.76Å; L88-H90 VanDerWaalsContact C-N 3.33Å; L88-C94 VanDerWaalsContact C-SG 3.58Å; L88-C94 PolarHBondContact O-SG 2.82Å; L88-L97 HydrophobicContact CD2-CD1 3.74Å; L88-L97 HydrophobicContact CG-CD1 3.79Å
89N96.1Very high97.4Very high120 Ų12042.8 Ų42.864%0.64220%0.198SC*.THydrogen-bonded Turntrans-92.96.6178.1-67.7-37.8000112.9N85 R86 M87N85-N89 PolarHBondContact O-N 3.2Å; N85-N89 PolarHBondContact O-ND2 2.76Å; R86-N89 PolarHBondContact O-N 2.76Å; M87-N89 PolarHBondContact O-N 2.95Å
90H95.7Very high97.4Very high39 Ų3946.7 Ų46.718%0.18121%0.211CC..SBendtrans-122.5131.3179.9-175.2-88.5000110.3M87 L88 D92 G93 C94 R228 C232M87-H90 PolarHBondContact O-N 3.35Å; L88-H90 VanDerWaalsContact C-N 3.33Å; H90-D92 IonicContact CE1-OD2 2.69Å; H90-D92 PolarHBondContact CE1-OD2 2.8Å; H90-D92 PolarHBondContact ND1-N 3.33Å; H90-D92 PolarHBondContact O-N 2.68Å; H90-G93 PolarHBondContact ND1-N 3.29Å; H90-G93 CarbonylContact O-C 3.57Å; H90-G93 WeakPolarHBondContact O-CA 3.48Å; H90-G93 PolarHBondContact O-N 3.49Å; H90-C94 PolarHBondContact O-N 3.16Å; H90-R228 PolarHBondContact CE1-NH2 3.47Å; H90-R228 PolarHBondContact NE2-NE 2.02Å; H90-R228 VanDerWaalsContact NE2-NE 3.18Å; H90-R228 PolarHBondContact NE2-NH2 2.74Å; H90-C232 HydrophobicContact CB-CB 4.4Å; H90-C232 WeakPolarHBondContact ND1-CB 3.07Å
91P96Very high97.4Very high53 Ų5347.7 Ų47.734%0.34422%0.218SC..Hα-helixtrans-51.6-50.7-176.9-29.435.7000113.9L9 G93 C94 R95L9-P91 HydrophobicContact CD1-CB 4.29Å; P91-G93 VanDerWaalsContact C-N 3.31Å; P91-G93 PolarHBondContact O-N 3.41Å; P91-C94 PolarHBondContact O-N 3.46Å; P91-R95 WeakPolarHBondContact O-CG 3.38Å; P91-R95 PolarHBondContact O-N 3.01Å; P91-R95 VanDerWaalsContact O-N 3.16Å
92D96.9Very high97.3Very high35 Ų3545.9 Ų45.919%0.18722%0.215CC..Hα-helixtrans-72.5-28.2178.1-54.4-43000111.9H90 R95 I96 R228 C232H90-D92 IonicContact CE1-OD2 2.69Å; H90-D92 PolarHBondContact CE1-OD2 2.8Å; H90-D92 PolarHBondContact ND1-N 3.33Å; H90-D92 PolarHBondContact O-N 2.68Å; D92-R95 PolarHBondContact O-N 2.94Å; D92-R95 IonicContact OD1-NH1 3.18Å; D92-I96 WeakPolarHBondContact O-CB 3.27Å; D92-I96 WeakPolarHBondContact O-CD1 3.29Å; D92-I96 WeakPolarHBondContact O-CG1 3.4Å; D92-I96 PolarHBondContact O-N 2.95Å; D92-R228 IonicContact OD2-CZ 2.6Å; D92-R228 IonicContact OD2-NH1 2.81Å; D92-R228 IonicContact OD2-NH2 3.35Å; D92-R228 PolarHBondContact OD2-NH2 3.25Å; D92-C232 WeakPolarHBondContact CB-O 2.98Å
93G97.8Very high97.3Very high0 Ų040.8 Ų40.80%019%0.193CC..Hα-helixtrans-67-41.6176.900000111.2M87 H90 P91 I96 L97M87-G93 CarbonylContact O-C 3.59Å; M87-G93 VanDerWaalsContact O-C 3.24Å; M87-G93 VanDerWaalsContact O-CA 3.31Å; M87-G93 WeakPolarHBondContact O-CA 3.27Å; H90-G93 PolarHBondContact ND1-N 3.29Å; H90-G93 CarbonylContact O-C 3.57Å; H90-G93 WeakPolarHBondContact O-CA 3.48Å; H90-G93 PolarHBondContact O-N 3.49Å; P91-G93 VanDerWaalsContact C-N 3.31Å; P91-G93 PolarHBondContact O-N 3.41Å; G93-I96 PolarHBondContact O-N 3.47Å; G93-L97 VanDerWaalsContact O-CG 3.31Å; G93-L97 WeakPolarHBondContact O-CG 3.37Å; G93-L97 PolarHBondContact O-N 2.84Å
94C97.1Very high97.2Very high5 Ų541 Ų413%0.03419%0.194CC..Hα-helixtrans-62.6-42.9171.1-830000112.7C13 L16 M87 L88 H90 P91 I96 L97 R98C13-C94 VanDerWaalsContact CA-SG 3.52Å; C13-C94 HydrophobicContact CB-CB 4.31Å; C13-C94 WeakPolarHBondContact CB-SG 3.39Å; C13-C94 WeakPolarHBondContact SG-CB 3.4Å; C13-C94 CovalentContact SG-SG 2.02Å; C13-C94 PolarHBondContact SG-SG 3.49Å; L16-C94 HydrophobicContact CD1-CB 4.22Å; L16-C94 WeakPolarHBondContact CD1-O 3.29Å; M87-C94 PolarHBondContact O-N 3Å; M87-C94 VanDerWaalsContact O-N 3.13Å; L88-C94 VanDerWaalsContact C-SG 3.58Å; L88-C94 PolarHBondContact O-SG 2.82Å; H90-C94 PolarHBondContact O-N 3.16Å; P91-C94 PolarHBondContact O-N 3.46Å; C94-I96 VanDerWaalsContact C-N 3.33Å; C94-L97 PolarHBondContact O-N 3.28Å; C94-R98 WeakPolarHBondContact O-CB 3.35Å; C94-R98 PolarHBondContact O-N 3.27Å
95R97.5Very high97.2Very high62 Ų6244.1 Ų44.123%0.23421%0.213CC..Hα-helixtrans-59-48.1176.9-70.3174.662.1-149.1-2.4110.3L9 P91 D92 L97 R98 D99 Y234 E237L9-R95 HydrophobicContact CD2-CG 4.46Å; P91-R95 WeakPolarHBondContact O-CG 3.38Å; P91-R95 PolarHBondContact O-N 3.01Å; P91-R95 VanDerWaalsContact O-N 3.16Å; D92-R95 PolarHBondContact O-N 2.94Å; D92-R95 IonicContact OD1-NH1 3.18Å; R95-L97 PolarHBondContact O-N 2.84Å; R95-R98 PolarHBondContact O-N 3.38Å; R95-D99 WeakPolarHBondContact O-CB 3.45Å; R95-D99 PolarHBondContact O-N 2.94Å; R95-Y234 HydrophobicContact CB-CD2 4.28Å; R95-Y234 HydrophobicContact CB-CE2 3.96Å; R95-E237 IonicContact CZ-OE1 3.81Å; R95-E237 IonicContact CZ-OE2 3.59Å; R95-E237 IonicContact NH1-OE1 3.77Å; R95-E237 IonicContact NH1-OE2 2.7Å; R95-E237 PolarHBondContact NH1-OE2 3.28Å; R95-E237 IonicContact NH2-OE1 3.42Å; R95-E237 PolarHBondContact NH2-OE1 3.4Å; R95-E237 IonicContact NH2-OE2 3.52Å; R95-E237 PolarHBondContact NH2-OE2 3.22Å
96I98.2Very high97.1Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-58.6-46.8176.5-72161000111.6M87 D92 G93 C94 R98 D99 R100 Y152 R156 Y234M87-I96 HydrophobicContact CE-CB 4.14Å; M87-I96 HydrophobicContact CE-CG2 3.5Å; M87-I96 VanDerWaalsContact CE-CG2 3.5Å; D92-I96 WeakPolarHBondContact O-CB 3.27Å; D92-I96 WeakPolarHBondContact O-CD1 3.29Å; D92-I96 WeakPolarHBondContact O-CG1 3.4Å; D92-I96 PolarHBondContact O-N 2.95Å; G93-I96 PolarHBondContact O-N 3.47Å; C94-I96 VanDerWaalsContact C-N 3.33Å; I96-R98 PolarHBondContact O-N 2.83Å; I96-D99 PolarHBondContact O-N 3.28Å; I96-R100 VanDerWaalsContact O-CA 3.31Å; I96-R100 WeakPolarHBondContact O-CA 3.41Å; I96-R100 PolarHBondContact O-N 2.95Å; I96-Y152 HydrophobicContact CG2-CE1 4.13Å; I96-R156 VanDerWaalsContact CG2-CD 3.4Å; I96-R156 VanDerWaalsContact CG2-CZ 3.47Å; I96-R156 VanDerWaalsContact CG2-NE 3.31Å; I96-Y234 HydrophobicContact CD1-CD2 4.33Å; I96-Y234 HydrophobicContact CD1-CG 4.31Å; I96-Y234 HydrophobicContact CG1-CD1 4.44Å; I96-Y234 HydrophobicContact CG1-CD2 3.63Å; I96-Y234 HydrophobicContact CG1-CE2 3.96Å; I96-Y234 HydrophobicContact CG1-CG 3.9Å
97L97.7Very high97Very high6 Ų645.1 Ų45.13%0.03123%0.231CC..Hα-helixtrans-64.6-28.6179.9-72.2175.5000113.2F84 M87 L88 G93 C94 R95 R100 Y152 V153F84-L97 HydrophobicContact CD2-CD1 3.75Å; F84-L97 HydrophobicContact CD2-CD2 3.74Å; F84-L97 HydrophobicContact CD2-CG 4.39Å; F84-L97 HydrophobicContact CE2-CD1 3.55Å; F84-L97 HydrophobicContact CE2-CD2 3.79Å; F84-L97 HydrophobicContact CE2-CG 4.21Å; F84-L97 HydrophobicContact CZ-CD1 4.25Å; M87-L97 HydrophobicContact CB-CD1 3.65Å; M87-L97 HydrophobicContact CB-CG 4.08Å; M87-L97 HydrophobicContact CE-CD2 3.79Å; M87-L97 HydrophobicContact CE-CG 3.9Å; M87-L97 HydrophobicContact SD-CD2 4.1Å; M87-L97 HydrophobicContact SD-CG 4.45Å; L88-L97 HydrophobicContact CD2-CD1 3.74Å; L88-L97 HydrophobicContact CG-CD1 3.79Å; G93-L97 VanDerWaalsContact O-CG 3.31Å; G93-L97 WeakPolarHBondContact O-CG 3.37Å; G93-L97 PolarHBondContact O-N 2.84Å; C94-L97 PolarHBondContact O-N 3.28Å; R95-L97 PolarHBondContact O-N 2.84Å; L97-R100 WeakPolarHBondContact O-CG 3.47Å; L97-Y152 HydrophobicContact CD2-CD1 4.19Å; L97-Y152 HydrophobicContact CD2-CE1 4.42Å; L97-V153 HydrophobicContact CD2-CG2 3.83Å
98R96.4Very high97Very high119 Ų11945.6 Ų45.645%0.44923%0.233SC..Hα-helixtrans-78.9-53175-178.5-168.264.8-163.6-4111.9L16 C94 R95 I96 R100L16-R98 HydrophobicContact CD1-CB 4.09Å; L16-R98 HydrophobicContact CD2-CB 4.15Å; C94-R98 WeakPolarHBondContact O-CB 3.35Å; C94-R98 PolarHBondContact O-N 3.27Å; R95-R98 PolarHBondContact O-N 3.38Å; I96-R98 PolarHBondContact O-N 2.83Å; R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 2.82Å
99D97Very high97Very high66 Ų6649.7 Ų49.735%0.35326%0.255SS..Hα-helixtrans-75.1-25.1-171.5-59.8-15.3000111.2R95 I96 P101 Y234R95-D99 WeakPolarHBondContact O-CB 3.45Å; R95-D99 PolarHBondContact O-N 2.94Å; I96-D99 PolarHBondContact O-N 3.28Å; D99-P101 VanDerWaalsContact C-CD 3.48Å; D99-Y234 WeakPolarHBondContact CB-OH 3.38Å; D99-Y234 PolarHBondContact OD2-OH 3.47Å
100R97.5Very high97.1Very high89 Ų8945.1 Ų45.134%0.33623%0.231SC..  trans45.250-177.9-64.5-178.7167.1-128.64.5113.6I96 L97 R98 P148 D149 Y152I96-R100 VanDerWaalsContact O-CA 3.31Å; I96-R100 WeakPolarHBondContact O-CA 3.41Å; I96-R100 PolarHBondContact O-N 2.95Å; L97-R100 WeakPolarHBondContact O-CG 3.47Å; R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 2.82Å; R100-P148 PolarHBondContact NH1-O 2.96Å; R100-P148 PolarHBondContact NH2-O 2.78Å; R100-P148 VanDerWaalsContact NH2-O 3.11Å; R100-D149 IonicContact CZ-OD1 3.65Å; R100-D149 VanDerWaalsContact NH2-CA 3.34Å; R100-D149 IonicContact NH2-OD1 3.26Å; R100-D149 PolarHBondContact NH2-OD1 3.42Å; R100-Y152 WeakPolarHBondContact CA-OH 3.37Å; R100-Y152 HydrophobicContact CB-CD2 3.93Å; R100-Y152 HydrophobicContact CB-CE1 4.31Å; R100-Y152 HydrophobicContact CB-CE2 3.6Å; R100-Y152 HydrophobicContact CB-CG 4.44Å; R100-Y152 HydrophobicContact CG-CD1 4.01Å; R100-Y152 HydrophobicContact CG-CD2 4.02Å; R100-Y152 HydrophobicContact CG-CE1 4.04Å; R100-Y152 HydrophobicContact CG-CE2 4.05Å; R100-Y152 HydrophobicContact CG-CG 4.03Å
101P97.8Very high97.2Very high21 Ų2147.7 Ų47.714%0.13625%0.246CC..  trans-60.9149.4178.131.1-38.9000110.4D99 Y152 Y234 E236D99-P101 VanDerWaalsContact C-CD 3.48Å; P101-Y152 VanDerWaalsContact CD-OH 3.29Å; P101-Y152 WeakPolarHBondContact CD-OH 3.36Å; P101-Y152 PolarHBondContact O-OH 3.31Å; P101-Y234 HydrophobicContact CB-CE1 4.14Å; P101-Y234 HydrophobicContact CG-CE1 3.7Å; P101-E236 HydrophobicContact CB-CG 3.98Å; P101-E236 WeakPolarHBondContact CB-OE1 3.44Å; P101-E236 WeakPolarHBondContact CG-OE1 3.25Å
102T97.2Very high97.3Very high41 Ų4147.9 Ų47.925%0.25225%0.248SC..  trans-125.2149.1178.5550000110.2T107 E159T102-T107 PolarHBondContact O-OG1 3.37Å; T102-T107 WeakPolarHBondContact OG1-CG2 3.21Å; T102-E159 WeakPolarHBondContact CA-OE2 3.23Å; T102-E159 VanDerWaalsContact CB-OE2 3.3Å; T102-E159 WeakPolarHBondContact CB-OE2 3.33Å
103I97.6Very high97.4Very high1 Ų146.7 Ų46.71%0.00524%0.242CC..  trans-105.695.9176.5-51.3-63.2000107.7V108 Y125 P136 E159 L163 E236 W239I103-V108 HydrophobicContact CD1-CG2 4.25Å; I103-V108 HydrophobicContact CG2-CG2 4.26Å; I103-Y125 HydrophobicContact CG2-CE1 4.38Å; I103-P136 HydrophobicContact CG2-CB 4.15Å; I103-E159 HydrophobicContact CB-CB 4.12Å; I103-E159 HydrophobicContact CG1-CB 4.38Å; I103-E159 PolarHBondContact N-OE2 2.73Å; I103-L163 HydrophobicContact CD1-CD1 3.96Å; I103-L163 HydrophobicContact CG1-CD1 3.84Å; I103-L163 HydrophobicContact CG2-CD1 4.33Å; I103-E236 HydrophobicContact CD1-CG 3.57Å; I103-W239 HydrophobicContact CD1-CH2 4.24Å; I103-W239 HydrophobicContact CD1-CZ2 4.05Å
104R97.2Very high97.5Very high8 Ų850.8 Ų50.83%0.0326%0.257CS..SBendtrans-145.5161.8-175.9-65.4-69176.5171.4-8.4109.7N106 T107 V108 D137 R139 E159R104-N106 WeakPolarHBondContact CB-OD1 3.27Å; R104-N106 PolarHBondContact O-N 2.85Å; R104-T107 PolarHBondContact N-OG1 2.85Å; R104-T107 VanDerWaalsContact N-OG1 3.12Å; R104-T107 PolarHBondContact O-N 3.37Å; R104-T107 VanDerWaalsContact O-N 3.07Å; R104-T107 PolarHBondContact O-OG1 3.34Å; R104-V108 PolarHBondContact O-N 3.46Å; R104-D137 WeakPolarHBondContact CA-OD1 3.35Å; R104-D137 WeakPolarHBondContact CB-OD1 3.49Å; R104-D137 VanDerWaalsContact CD-OD1 3.31Å; R104-D137 WeakPolarHBondContact CD-OD1 3.35Å; R104-D137 PolarHBondContact NH1-O 2.8Å; R104-R139 PolarHBondContact NH1-O 2.92Å; R104-R139 PolarHBondContact NH2-O 3.01Å; R104-E159 IonicContact CZ-OE1 2.84Å; R104-E159 IonicContact NE-OE1 3.53Å; R104-E159 PolarHBondContact NE-OE1 2.85Å; R104-E159 IonicContact NH2-OE1 3.51Å; R104-E159 PolarHBondContact NH2-OE1 2.91Å
105T96.5Very high97.5Very high70 Ų7058.4 Ų58.443%0.42929%0.29SS..THydrogen-bonded Turntrans-65.2-22.3178.561.10000113.4L110 P136 D137T105-L110 HydrophobicContact CG2-CD1 4.16Å; T105-P136 HydrophobicContact CG2-CG 3.93Å; T105-D137 WeakPolarHBondContact CB-OD2 3.36Å; T105-D137 WeakPolarHBondContact CG2-OD2 3.49Å; T105-D137 PolarHBondContact N-OD1 3.36Å; T105-D137 PolarHBondContact OG1-OD2 3.43Å
106N96.1Very high97.6Very high132 Ų13256.7 Ų56.771%0.70629%0.285SS*.THydrogen-bonded Turntrans-84.1-10.817569.3-20.7000114R104R104-N106 WeakPolarHBondContact CB-OD1 3.27Å; R104-N106 PolarHBondContact O-N 2.85Å
107T96.7Very high97.6Very high75 Ų7560.9 Ų60.946%0.4631%0.313SS..THydrogen-bonded Turntrans-116.3-21.4178.356.70000113.5T102 R104T102-T107 PolarHBondContact O-OG1 3.37Å; T102-T107 WeakPolarHBondContact OG1-CG2 3.21Å; R104-T107 PolarHBondContact N-OG1 2.85Å; R104-T107 VanDerWaalsContact N-OG1 3.12Å; R104-T107 PolarHBondContact O-N 3.37Å; R104-T107 VanDerWaalsContact O-N 3.07Å; R104-T107 PolarHBondContact O-OG1 3.34Å
108V97.3Very high97.6Very high10 Ų1069.5 Ų69.56%0.06135%0.35CS..SBendtrans-121.4116.2-179.5-176.40000109.6I103 R104 L110 L113 W239I103-V108 HydrophobicContact CD1-CG2 4.25Å; I103-V108 HydrophobicContact CG2-CG2 4.26Å; R104-V108 PolarHBondContact O-N 3.46Å; V108-L110 HydrophobicContact CG1-CD2 4.01Å; V108-L110 PolarHBondContact O-N 2.84Å; V108-L113 HydrophobicContact CG1-CD1 3.66Å; V108-L113 HydrophobicContact CG1-CG 4.32Å; V108-W239 HydrophobicContact CG1-CH2 4.46Å; V108-W239 HydrophobicContact CG1-CZ2 4.01Å; V108-W239 HydrophobicContact CG2-CZ2 4.09Å
109D97.6Very high97.7Very high92 Ų9265.5 Ų65.549%0.49235%0.346SS..  trans-7691.4174.4-179.5-6.9000110.7D111 S112 L113D109-D111 VanDerWaalsContact C-N 3.25Å; D109-D111 PolarHBondContact O-N 3.3Å; D109-D111 PolarHBondContact OD1-N 3.09Å; D109-S112 VanDerWaalsContact CG-CB 3.46Å; D109-S112 PolarHBondContact O-N 3.11Å; D109-S112 PolarHBondContact OD1-N 3.11Å; D109-S112 VanDerWaalsContact OD2-CB 3.3Å; D109-S112 WeakPolarHBondContact OD2-CB 3.41Å; D109-S112 PolarHBondContact OD2-OG 3Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.37Å; D109-L113 VanDerWaalsContact O-N 3.1Å
110L97.8Very high97.7Very high23 Ų2362.9 Ų62.912%0.1233%0.332CS..Hα-helixtrans-62.1-30.5-179.8-61-177.3000112.8T105 V108 L113 R114 Y125 L129 P136T105-L110 HydrophobicContact CG2-CD1 4.16Å; V108-L110 HydrophobicContact CG1-CD2 4.01Å; V108-L110 PolarHBondContact O-N 2.84Å; L110-L113 HydrophobicContact CD2-CD1 4.31Å; L110-L113 PolarHBondContact O-N 3.18Å; L110-R114 WeakPolarHBondContact O-CG 3.46Å; L110-R114 PolarHBondContact O-N 3.37Å; L110-Y125 HydrophobicContact CD2-CE1 4.21Å; L110-L129 HydrophobicContact CD1-CD1 4.06Å; L110-L129 HydrophobicContact CD2-CD1 3.87Å; L110-P136 HydrophobicContact CD1-CG 4.27Å
111D98.2Very high97.8Very high93 Ų9358.7 Ų58.750%0.49732%0.316SS..Hα-helixtrans-70.7-37.5178.4-75.5-26.9000111.6D109 R114 K115D109-D111 VanDerWaalsContact C-N 3.25Å; D109-D111 PolarHBondContact O-N 3.3Å; D109-D111 PolarHBondContact OD1-N 3.09Å; D111-R114 PolarHBondContact O-N 3.24Å; D111-R114 IonicContact OD1-CZ 3.63Å; D111-R114 IonicContact OD1-NH1 2.78Å; D111-R114 PolarHBondContact OD1-NH1 3.43Å; D111-K115 WeakPolarHBondContact O-CG 3.23Å; D111-K115 PolarHBondContact O-N 2.78Å
112S98.2Very high97.8Very high57 Ų5757.7 Ų57.740%0.39931%0.31SS..Hα-helixtrans-63.5-43.1170.2-730000111.5D109 R114 K115 L116D109-S112 VanDerWaalsContact CG-CB 3.46Å; D109-S112 PolarHBondContact O-N 3.11Å; D109-S112 PolarHBondContact OD1-N 3.11Å; D109-S112 VanDerWaalsContact OD2-CB 3.3Å; D109-S112 WeakPolarHBondContact OD2-CB 3.41Å; D109-S112 PolarHBondContact OD2-OG 3Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 2.91Å; S112-K115 PolarHBondContact O-N 3.46Å; S112-K115 VanDerWaalsContact O-N 3.08Å; S112-L116 PolarHBondContact O-N 3.41Å
113L98.6Very high97.9Very high10 Ų1058 Ų585%0.05231%0.308CS..Hα-helixtrans-60.6-39.7176.3-63.1-166.6000112.9V108 D109 L110 K115 L116 K123 Y125 A126 W239V108-L113 HydrophobicContact CG1-CD1 3.66Å; V108-L113 HydrophobicContact CG1-CG 4.32Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.37Å; D109-L113 VanDerWaalsContact O-N 3.1Å; L110-L113 HydrophobicContact CD2-CD1 4.31Å; L110-L113 PolarHBondContact O-N 3.18Å; L113-K115 PolarHBondContact O-N 2.92Å; L113-L116 HydrophobicContact CD2-CD1 3.84Å; L113-L116 WeakPolarHBondContact O-CB 3.46Å; L113-L116 PolarHBondContact O-N 2.84Å; L113-K123 WeakPolarHBondContact O-CA 3.4Å; L113-Y125 HydrophobicContact CD1-CD1 3.98Å; L113-A126 HydrophobicContact CB-CB 3.98Å; L113-W239 HydrophobicContact CD1-CD2 4.13Å; L113-W239 HydrophobicContact CD1-CE3 3.9Å; L113-W239 HydrophobicContact CD1-CH2 4.47Å; L113-W239 HydrophobicContact CD1-CZ3 4.07Å; L113-W239 HydrophobicContact CD2-CB 3.72Å; L113-W239 HydrophobicContact CD2-CD2 3.92Å; L113-W239 HydrophobicContact CD2-CE3 4.24Å; L113-W239 HydrophobicContact CD2-CG 3.7Å
114R98.3Very high98Very high86 Ų8659.2 Ų59.233%0.32532%0.318SS..Hα-helixtrans-60.2-32.2175.5-72.3176.2-174.3107.35.6112.5L110 D111 S112 K123 A126 D130L110-R114 WeakPolarHBondContact O-CG 3.46Å; L110-R114 PolarHBondContact O-N 3.37Å; D111-R114 PolarHBondContact O-N 3.24Å; D111-R114 IonicContact OD1-CZ 3.63Å; D111-R114 IonicContact OD1-NH1 2.78Å; D111-R114 PolarHBondContact OD1-NH1 3.43Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 2.91Å; R114-K123 VanDerWaalsContact O-CE 3.27Å; R114-K123 WeakPolarHBondContact O-CE 3.5Å; R114-K123 PolarHBondContact O-NZ 3.32Å; R114-A126 HydrophobicContact CG-CB 3.72Å; R114-D130 IonicContact CZ-OD1 3.87Å; R114-D130 IonicContact NE-OD1 3.37Å; R114-D130 PolarHBondContact NE-OD1 2.85Å; R114-D130 VanDerWaalsContact NE-OD1 3.15Å; R114-D130 IonicContact NE-OD2 2.72Å; R114-D130 PolarHBondContact NE-OD2 3.06Å; R114-D130 IonicContact NH2-OD1 2.73Å; R114-D130 PolarHBondContact NH2-OD1 3.21Å
115K98.6Very high98Very high165 Ų16558.9 Ų58.972%0.71732%0.317SS*.Hα-helixtrans-81.9-15.6-177-68.7168.4-170.5166.80114D111 S112 L113D111-K115 WeakPolarHBondContact O-CG 3.23Å; D111-K115 PolarHBondContact O-N 2.78Å; S112-K115 PolarHBondContact O-N 3.46Å; S112-K115 VanDerWaalsContact O-N 3.08Å; L113-K115 PolarHBondContact O-N 2.92Å
116L98.7Very high98.1Very high26 Ų2655.6 Ų55.614%0.13630%0.297CS..SBendtrans-56.3162.5179.3-69.9175.3000113.2S112 L113 T120 K123 W239 E240S112-L116 PolarHBondContact O-N 3.41Å; L113-L116 HydrophobicContact CD2-CD1 3.84Å; L113-L116 WeakPolarHBondContact O-CB 3.46Å; L113-L116 PolarHBondContact O-N 2.84Å; L116-T120 HydrophobicContact CB-CG2 4.47Å; L116-T120 WeakPolarHBondContact CB-OG1 3.42Å; L116-K123 HydrophobicContact CB-CB 4.22Å; L116-K123 WeakPolarHBondContact O-CD 3.16Å; L116-K123 WeakPolarHBondContact O-CE 3.27Å; L116-K123 PolarHBondContact O-NZ 2.83Å; L116-W239 HydrophobicContact CD1-CB 4.33Å; L116-W239 WeakPolarHBondContact CD1-O 3.38Å; L116-E240 HydrophobicContact CD2-CG 3.95Å
117P98.5Very high98.2Very high89 Ų8954.8 Ų54.858%0.57829%0.287SS*.PPolyproline II helixtrans-58.7149.1175-25.334.7000112.9G119 T120P117-G119 PolarHBondContact O-N 2.86Å; P117-T120 HydrophobicContact CB-CG2 4.12Å; P117-T120 HydrophobicContact CG-CG2 4.37Å; P117-T120 WeakPolarHBondContact O-CG2 3.44Å; P117-T120 PolarHBondContact O-N 3.26Å; P117-T120 PolarHBondContact O-OG1 2.88Å
118K98.1Very high98.3Very high186 Ų18652 Ų5281%0.80927%0.269SS*.THydrogen-bonded Turntrans-61.5133.8173.2-175.9-176.7176.8-174.10109
119G97.6Very high98.3Very high36 Ų3651.7 Ų51.737%0.37127%0.266SS..THydrogen-bonded Turntrans99.2-10.6-178.900000113.8P117 L243P117-G119 PolarHBondContact O-N 2.86Å; G119-L243 WeakPolarHBondContact O-CB 3.07Å; G119-L243 PolarHBondContact O-N 3.4Å
120T98.7Very high98.3Very high11 Ų1151.2 Ų51.27%0.06726%0.264CS..BIsolated β-bridgetrans-72.5149.6171.757.70000112.1L116 P117 K123 A124 E240 D241L116-T120 HydrophobicContact CB-CG2 4.47Å; L116-T120 WeakPolarHBondContact CB-OG1 3.42Å; P117-T120 HydrophobicContact CB-CG2 4.12Å; P117-T120 HydrophobicContact CG-CG2 4.37Å; P117-T120 WeakPolarHBondContact O-CG2 3.44Å; P117-T120 PolarHBondContact O-N 3.26Å; P117-T120 PolarHBondContact O-OG1 2.88Å; T120-K123 PolarHBondContact O-N 3.49Å; T120-K123 VanDerWaalsContact OG1-CB 3.23Å; T120-K123 WeakPolarHBondContact OG1-CB 3.3Å; T120-K123 PolarHBondContact OG1-N 3.18Å; T120-A124 PolarHBondContact O-N 3.35Å; T120-E240 VanDerWaalsContact CG2-O 3.27Å; T120-E240 WeakPolarHBondContact CG2-O 3.46Å; T120-D241 CarbonylContact C-O 3.57Å; T120-D241 VanDerWaalsContact CA-O 3.23Å; T120-D241 WeakPolarHBondContact CA-O 3.45Å
121F98.6Very high98.3Very high0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-62-44.2177.4173.2-114.8000112.1K123 A124 Y125 L163 T166 L167 F235 H238 W239 D241 L243 L246F121-K123 PolarHBondContact O-N 3.27Å; F121-A124 WeakPolarHBondContact O-CB 3.34Å; F121-A124 PolarHBondContact O-N 3.01Å; F121-A124 VanDerWaalsContact O-N 3.1Å; F121-Y125 PolarHBondContact O-N 3.14Å; F121-L163 HydrophobicContact CE1-CD2 3.88Å; F121-L163 HydrophobicContact CZ-CB 4.02Å; F121-L163 HydrophobicContact CZ-CD2 3.57Å; F121-L163 HydrophobicContact CZ-CG 4.36Å; F121-T166 HydrophobicContact CD2-CG2 4.14Å; F121-T166 HydrophobicContact CE2-CG2 3.91Å; F121-L167 HydrophobicContact CE2-CB 4.24Å; F121-F235 HydrophobicContact CE1-CB 4.44Å; F121-F235 AromaticContact CE1-CD1 3.65Å; F121-F235 HydrophobicContact CE1-CD1 3.65Å; F121-F235 HydrophobicContact CE1-CE1 4.43Å; F121-F235 AromaticContact CZ-CD1 3.53Å; F121-F235 HydrophobicContact CZ-CD1 3.53Å; F121-F235 AromaticContact CZ-CE1 3.9Å; F121-F235 HydrophobicContact CZ-CE1 3.9Å; F121-H238 WeakPolarHBondContact CB-O 3.29Å; F121-H238 HydrophobicContact CD1-CB 4.43Å; F121-W239 AromaticContact CD1-CE3 3.93Å; F121-W239 HydrophobicContact CD1-CE3 3.93Å; F121-W239 HydrophobicContact CD1-CZ3 4.15Å; F121-W239 AromaticContact CE1-CE3 3.96Å; F121-W239 HydrophobicContact CE1-CE3 3.96Å; F121-W239 AromaticContact CE1-CZ3 3.72Å; F121-W239 HydrophobicContact CE1-CZ3 3.72Å; F121-D241 PolarHBondContact N-O 3.44Å; F121-L243 HydrophobicContact CD2-CD1 3.86Å; F121-L246 HydrophobicContact CB-CD2 3.83Å; F121-L246 HydrophobicContact CD1-CD2 4.01Å; F121-L246 HydrophobicContact CD2-CD2 3.97Å; F121-L246 HydrophobicContact CG-CD2 3.65Å
122G98.6Very high98.2Very high0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-60.3-42.9178.400000112.9A124 Y125 A126 W239G122-A124 VanDerWaalsContact C-N 3.33Å; G122-A124 PolarHBondContact O-N 2.91Å; G122-Y125 PolarHBondContact O-N 3.04Å; G122-A126 PolarHBondContact O-N 2.79Å; G122-W239 WeakPolarHBondContact CA-O 3.34Å; G122-W239 PolarHBondContact N-O 3.05Å
123K98.7Very high98.1Very high47 Ų4755.9 Ų55.920%0.20429%0.288CS..Hα-helixtrans-65.9-37.1174-173.1142.8-177.9154.30112.7L113 R114 L116 T120 F121 Y125 K127L113-K123 WeakPolarHBondContact O-CA 3.4Å; R114-K123 VanDerWaalsContact O-CE 3.27Å; R114-K123 WeakPolarHBondContact O-CE 3.5Å; R114-K123 PolarHBondContact O-NZ 3.32Å; L116-K123 HydrophobicContact CB-CB 4.22Å; L116-K123 WeakPolarHBondContact O-CD 3.16Å; L116-K123 WeakPolarHBondContact O-CE 3.27Å; L116-K123 PolarHBondContact O-NZ 2.83Å; T120-K123 PolarHBondContact O-N 3.49Å; T120-K123 VanDerWaalsContact OG1-CB 3.23Å; T120-K123 WeakPolarHBondContact OG1-CB 3.3Å; T120-K123 PolarHBondContact OG1-N 3.18Å; F121-K123 PolarHBondContact O-N 3.27Å; K123-Y125 VanDerWaalsContact C-N 3.33Å; K123-K127 HydrophobicContact CG-CD 4.45Å; K123-K127 WeakPolarHBondContact O-CB 3.38Å; K123-K127 VanDerWaalsContact O-CG 3.31Å; K123-K127 WeakPolarHBondContact O-CG 3.33Å; K123-K127 PolarHBondContact O-N 2.74Å
124A98.5Very high97.9Very high27 Ų2759.3 Ų59.322%0.22330%0.301CS..Hα-helixtrans-63.8-41.4176.100000111.1T120 F121 G122 K127 F128 T166 L243T120-A124 PolarHBondContact O-N 3.35Å; F121-A124 WeakPolarHBondContact O-CB 3.34Å; F121-A124 PolarHBondContact O-N 3.01Å; F121-A124 VanDerWaalsContact O-N 3.1Å; G122-A124 VanDerWaalsContact C-N 3.33Å; G122-A124 PolarHBondContact O-N 2.91Å; A124-K127 PolarHBondContact O-N 3.08Å; A124-F128 WeakPolarHBondContact O-CB 3.49Å; A124-F128 PolarHBondContact O-N 2.62Å; A124-T166 HydrophobicContact CB-CG2 3.7Å; A124-L243 HydrophobicContact CB-CD2 3.96Å
125Y98.7Very high97.8Very high1 Ų156.8 Ų56.80%0.00430%0.297CS..Hα-helixtrans-65.7-48.2177175.7-123.1000112.2I103 L110 L113 F121 G122 K123 K127 F128 L129 D162 L163 W239I103-Y125 HydrophobicContact CG2-CE1 4.38Å; L110-Y125 HydrophobicContact CD2-CE1 4.21Å; L113-Y125 HydrophobicContact CD1-CD1 3.98Å; F121-Y125 PolarHBondContact O-N 3.14Å; G122-Y125 PolarHBondContact O-N 3.04Å; K123-Y125 VanDerWaalsContact C-N 3.33Å; Y125-K127 VanDerWaalsContact C-N 3.29Å; Y125-K127 PolarHBondContact O-N 3.19Å; Y125-F128 WeakPolarHBondContact O-CA 3.17Å; Y125-F128 WeakPolarHBondContact O-CB 3.21Å; Y125-F128 PolarHBondContact O-N 3.32Å; Y125-L129 HydrophobicContact CD1-CD1 4.33Å; Y125-L129 HydrophobicContact CD2-CG 4.33Å; Y125-L129 HydrophobicContact CE1-CD1 3.74Å; Y125-L129 HydrophobicContact CE1-CG 4.45Å; Y125-L129 HydrophobicContact CE2-CD1 4.04Å; Y125-L129 HydrophobicContact CE2-CD2 3.94Å; Y125-L129 HydrophobicContact CE2-CG 3.89Å; Y125-L129 PolarHBondContact O-N 2.87Å; Y125-D162 HydrophobicContact CE2-CB 3.83Å; Y125-L163 HydrophobicContact CD1-CD2 3.68Å; Y125-L163 HydrophobicContact CD2-CD2 3.42Å; Y125-L163 VanDerWaalsContact CD2-CD2 3.42Å; Y125-L163 HydrophobicContact CD2-CG 4.21Å; Y125-L163 HydrophobicContact CE1-CD2 3.89Å; Y125-L163 HydrophobicContact CE2-CD2 3.63Å; Y125-L163 HydrophobicContact CE2-CG 4.02Å; Y125-L163 HydrophobicContact CG-CD2 3.43Å; Y125-L163 VanDerWaalsContact CG-CD2 3.43Å; Y125-W239 HydrophobicContact CD1-CH2 4.1Å; Y125-W239 AromaticContact CD1-CZ3 3.79Å; Y125-W239 HydrophobicContact CD1-CZ3 3.79Å; Y125-W239 HydrophobicContact CE1-CH2 4.28Å; Y125-W239 HydrophobicContact CE1-CZ3 4.42Å; Y125-W239 HydrophobicContact CG-CZ3 4.33Å
126A98.5Very high97.7Very high1 Ų149 Ų491%0.00826%0.263CS..Hα-helixtrans-58.7-42.3176.400000111.8L113 R114 G122 F128 L129 D130L113-A126 HydrophobicContact CB-CB 3.98Å; R114-A126 HydrophobicContact CG-CB 3.72Å; G122-A126 PolarHBondContact O-N 2.79Å; A126-F128 VanDerWaalsContact C-N 3.32Å; A126-F128 PolarHBondContact O-N 3.06Å; A126-L129 PolarHBondContact O-N 3.36Å; A126-D130 WeakPolarHBondContact O-CB 3.36Å; A126-D130 PolarHBondContact O-N 3.29Å
127K98.2Very high97.6Very high115 Ų11550.9 Ų50.950%0.527%0.273SS..Hα-helixtrans-63.5-35.5173.7-78.5-176.4174.4-167.70113.4K123 A124 Y125 K131K123-K127 HydrophobicContact CG-CD 4.45Å; K123-K127 WeakPolarHBondContact O-CB 3.38Å; K123-K127 VanDerWaalsContact O-CG 3.31Å; K123-K127 WeakPolarHBondContact O-CG 3.33Å; K123-K127 PolarHBondContact O-N 2.74Å; A124-K127 PolarHBondContact O-N 3.08Å; Y125-K127 VanDerWaalsContact C-N 3.29Å; Y125-K127 PolarHBondContact O-N 3.19Å; K127-K131 WeakPolarHBondContact O-CB 3.5Å; K127-K131 PolarHBondContact O-N 3.06Å
128F97.9Very high97.3Very high18 Ų1851.9 Ų51.98%0.07927%0.27CS..Hα-helixtrans-63-49.2175.8173.4-85.6000110.2A124 Y125 A126 K131 Y132 Y134 D162 H165 T172A124-F128 WeakPolarHBondContact O-CB 3.49Å; A124-F128 PolarHBondContact O-N 2.62Å; Y125-F128 WeakPolarHBondContact O-CA 3.17Å; Y125-F128 WeakPolarHBondContact O-CB 3.21Å; Y125-F128 PolarHBondContact O-N 3.32Å; A126-F128 VanDerWaalsContact C-N 3.32Å; A126-F128 PolarHBondContact O-N 3.06Å; F128-K131 PolarHBondContact O-N 3.22Å; F128-Y132 HydrophobicContact CD1-CD2 4.38Å; F128-Y132 AromaticContact CD2-CD2 3.96Å; F128-Y132 HydrophobicContact CD2-CD2 3.96Å; F128-Y132 AromaticContact CD2-CE2 3.64Å; F128-Y132 HydrophobicContact CD2-CE2 3.64Å; F128-Y132 HydrophobicContact CE1-CD2 4.22Å; F128-Y132 AromaticContact CE2-CD2 3.79Å; F128-Y132 HydrophobicContact CE2-CD2 3.79Å; F128-Y132 AromaticContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CE2-CE2 3.46Å; F128-Y132 VanDerWaalsContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CG-CD2 4.25Å; F128-Y132 HydrophobicContact CG-CE2 4.35Å; F128-Y132 AromaticContact CZ-CD2 3.95Å; F128-Y132 HydrophobicContact CZ-CD2 3.95Å; F128-Y132 HydrophobicContact CZ-CE2 4.05Å; F128-Y132 VanDerWaalsContact O-CD2 3.24Å; F128-Y132 WeakPolarHBondContact O-CD2 3.39Å; F128-Y132 PolarHBondContact O-N 3.1Å; F128-Y134 HydrophobicContact CE1-CD2 4.09Å; F128-Y134 HydrophobicContact CE1-CE2 4.48Å; F128-D162 HydrophobicContact CD1-CB 4.27Å; F128-D162 HydrophobicContact CE1-CB 3.75Å; F128-D162 WeakPolarHBondContact CE1-OD1 3.39Å; F128-H165 HydrophobicContact CD2-CB 4.37Å; F128-H165 HydrophobicContact CE1-CB 4.44Å; F128-H165 HydrophobicContact CE2-CB 3.51Å; F128-H165 HydrophobicContact CZ-CB 3.55Å; F128-H165 AromaticContact CZ-CG 3.97Å; F128-T172 HydrophobicContact CE1-CG2 4.49Å; F128-T172 HydrophobicContact CE2-CG2 3.94Å; F128-T172 HydrophobicContact CZ-CG2 3.46Å; F128-T172 VanDerWaalsContact CZ-CG2 3.46Å
129L98Very high97Very high2 Ų246.2 Ų46.21%0.0124%0.243CC..Hα-helixtrans-59.1-49.5176.3-65.4178000111.6L110 Y125 A126 K131 Y132 G133 Y134L110-L129 HydrophobicContact CD1-CD1 4.06Å; L110-L129 HydrophobicContact CD2-CD1 3.87Å; Y125-L129 HydrophobicContact CD1-CD1 4.33Å; Y125-L129 HydrophobicContact CD2-CG 4.33Å; Y125-L129 HydrophobicContact CE1-CD1 3.74Å; Y125-L129 HydrophobicContact CE1-CG 4.45Å; Y125-L129 HydrophobicContact CE2-CD1 4.04Å; Y125-L129 HydrophobicContact CE2-CD2 3.94Å; Y125-L129 HydrophobicContact CE2-CG 3.89Å; Y125-L129 PolarHBondContact O-N 2.87Å; A126-L129 PolarHBondContact O-N 3.36Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 2.81Å; L129-Y132 PolarHBondContact O-N 2.9Å; L129-G133 WeakPolarHBondContact O-CA 3.42Å; L129-G133 PolarHBondContact O-N 3.18Å; L129-Y134 PolarHBondContact O-N 3.04Å; L129-Y134 VanDerWaalsContact O-N 3.07Å
130D97.8Very high96.7Very high82 Ų8249 Ų4944%0.43925%0.247SC..Hα-helixtrans-60.1-39.8-180-68.4-18000112R114 A126 Y132R114-D130 IonicContact CZ-OD1 3.87Å; R114-D130 IonicContact NE-OD1 3.37Å; R114-D130 PolarHBondContact NE-OD1 2.85Å; R114-D130 VanDerWaalsContact NE-OD1 3.15Å; R114-D130 IonicContact NE-OD2 2.72Å; R114-D130 PolarHBondContact NE-OD2 3.06Å; R114-D130 IonicContact NH2-OD1 2.73Å; R114-D130 PolarHBondContact NH2-OD1 3.21Å; A126-D130 WeakPolarHBondContact O-CB 3.36Å; A126-D130 PolarHBondContact O-N 3.29Å; D130-Y132 PolarHBondContact O-N 3.42Å
131K97Very high96.5Very high149 Ų14955.1 Ų55.165%0.64827%0.269SS*.Hα-helixtrans-63.7-40.7-179.5178.3-177.7177.3-167.70112.4K127 F128 L129K127-K131 WeakPolarHBondContact O-CB 3.5Å; K127-K131 PolarHBondContact O-N 3.06Å; F128-K131 PolarHBondContact O-N 3.22Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 2.81Å
132Y95.7Very high96.4Very high61 Ų6155.5 Ų55.524%0.23927%0.272CS..Hα-helixtrans-97.8-5.3-176.1-63.5-66.5000113.4F128 L129 D130 Y134 P171 T172F128-Y132 HydrophobicContact CD1-CD2 4.38Å; F128-Y132 AromaticContact CD2-CD2 3.96Å; F128-Y132 HydrophobicContact CD2-CD2 3.96Å; F128-Y132 AromaticContact CD2-CE2 3.64Å; F128-Y132 HydrophobicContact CD2-CE2 3.64Å; F128-Y132 HydrophobicContact CE1-CD2 4.22Å; F128-Y132 AromaticContact CE2-CD2 3.79Å; F128-Y132 HydrophobicContact CE2-CD2 3.79Å; F128-Y132 AromaticContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CE2-CE2 3.46Å; F128-Y132 VanDerWaalsContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CG-CD2 4.25Å; F128-Y132 HydrophobicContact CG-CE2 4.35Å; F128-Y132 AromaticContact CZ-CD2 3.95Å; F128-Y132 HydrophobicContact CZ-CD2 3.95Å; F128-Y132 HydrophobicContact CZ-CE2 4.05Å; F128-Y132 VanDerWaalsContact O-CD2 3.24Å; F128-Y132 WeakPolarHBondContact O-CD2 3.39Å; F128-Y132 PolarHBondContact O-N 3.1Å; L129-Y132 PolarHBondContact O-N 2.9Å; D130-Y132 PolarHBondContact O-N 3.42Å; Y132-Y134 VanDerWaalsContact C-N 3.28Å; Y132-Y134 HydrophobicContact CD2-CE2 4.33Å; Y132-Y134 HydrophobicContact CG-CD2 4.4Å; Y132-Y134 HydrophobicContact CG-CE2 4.01Å; Y132-Y134 WeakPolarHBondContact O-CD1 3.38Å; Y132-P171 VanDerWaalsContact OH-CA 3.3Å; Y132-P171 WeakPolarHBondContact OH-CA 3.47Å; Y132-P171 WeakPolarHBondContact OH-CB 3.45Å; Y132-T172 WeakPolarHBondContact CD1-OG1 3.48Å; Y132-T172 HydrophobicContact CD2-CG2 4.3Å; Y132-T172 WeakPolarHBondContact CE1-OG1 3.44Å; Y132-T172 HydrophobicContact CE2-CG2 4.24Å
133G96.1Very high96.2Very high62 Ų6261.9 Ų61.964%0.63930%0.296SS*.THydrogen-bonded Turntrans67.630.2-176.300000112.7L129L129-G133 WeakPolarHBondContact O-CA 3.42Å; L129-G133 PolarHBondContact O-N 3.18Å
134Y95.4Very high96.1Very high81 Ų8161.1 Ų61.132%0.31829%0.293SS..  trans-91.1153.9-178.5-63.3-20.1000111.8F128 L129 Y132 E138 T172F128-Y134 HydrophobicContact CE1-CD2 4.09Å; F128-Y134 HydrophobicContact CE1-CE2 4.48Å; L129-Y134 PolarHBondContact O-N 3.04Å; L129-Y134 VanDerWaalsContact O-N 3.07Å; Y132-Y134 VanDerWaalsContact C-N 3.28Å; Y132-Y134 HydrophobicContact CD2-CE2 4.33Å; Y132-Y134 HydrophobicContact CG-CD2 4.4Å; Y132-Y134 HydrophobicContact CG-CE2 4.01Å; Y132-Y134 WeakPolarHBondContact O-CD1 3.38Å; Y134-E138 WeakPolarHBondContact CA-OE2 3.37Å; Y134-T172 HydrophobicContact CE2-CG2 3.77Å
135S96.3Very high95.9Very high34 Ų3460.1 Ų60.124%0.23828%0.284CS..  trans-119.4139.8167.1173.20000110.2D137 E138S135-D137 PolarHBondContact O-N 3.27Å; S135-D137 PolarHBondContact OG-N 3.14Å; S135-E138 PolarHBondContact N-OE2 3.44Å; S135-E138 VanDerWaalsContact N-OE2 3.09Å; S135-E138 WeakPolarHBondContact O-CB 3.29Å; S135-E138 WeakPolarHBondContact O-CG 3.21Å; S135-E138 PolarHBondContact O-N 3.22Å
136P96Very high95.7Very high2 Ų262.1 Ų62.11%0.01330%0.295CS..G310 helixtrans-56.3-23.9172.123.5-33000112.5I103 T105 L110 E138 R139I103-P136 HydrophobicContact CG2-CB 4.15Å; T105-P136 HydrophobicContact CG2-CG 3.93Å; L110-P136 HydrophobicContact CD1-CG 4.27Å; P136-E138 PolarHBondContact O-N 3.45Å; P136-R139 PolarHBondContact O-N 2.69Å
137D96.1Very high95.5Very high65 Ų6562.4 Ų62.435%0.34830%0.296SS..G310 helixtrans-72.7-15-179.7-59.5-20.3000113.7R104 T105 S135 R139R104-D137 WeakPolarHBondContact CA-OD1 3.35Å; R104-D137 WeakPolarHBondContact CB-OD1 3.49Å; R104-D137 VanDerWaalsContact CD-OD1 3.31Å; R104-D137 WeakPolarHBondContact CD-OD1 3.35Å; R104-D137 PolarHBondContact NH1-O 2.8Å; T105-D137 WeakPolarHBondContact CB-OD2 3.36Å; T105-D137 WeakPolarHBondContact CG2-OD2 3.49Å; T105-D137 PolarHBondContact N-OD1 3.36Å; T105-D137 PolarHBondContact OG1-OD2 3.43Å; S135-D137 PolarHBondContact O-N 3.27Å; S135-D137 PolarHBondContact OG-N 3.14Å; D137-R139 PolarHBondContact O-N 2.75Å
138E92.6Very high95.3Very high110 Ų11058.4 Ų58.451%0.51428%0.282SS..G310 helixtrans-69.7-12.9178.1-64.8177.2139.800112.5Y134 S135 P136 H140Y134-E138 WeakPolarHBondContact CA-OE2 3.37Å; S135-E138 PolarHBondContact N-OE2 3.44Å; S135-E138 VanDerWaalsContact N-OE2 3.09Å; S135-E138 WeakPolarHBondContact O-CB 3.29Å; S135-E138 WeakPolarHBondContact O-CG 3.21Å; S135-E138 PolarHBondContact O-N 3.22Å; P136-E138 PolarHBondContact O-N 3.45Å; E138-H140 PolarHBondContact O-CD2 3.44Å; E138-H140 VanDerWaalsContact O-CD2 3.26Å; E138-H140 PolarHBondContact O-N 3.19Å
139R92.4Very high95.2Very high66 Ų6658.8 Ų58.825%0.24928%0.284CS..SBendtrans-73.1110.9176.1-59.3-61.7171.7-169.5-8109.8R104 P136 D137 R158 E159 H161 D162R104-R139 PolarHBondContact NH1-O 2.92Å; R104-R139 PolarHBondContact NH2-O 3.01Å; P136-R139 PolarHBondContact O-N 2.69Å; D137-R139 PolarHBondContact O-N 2.75Å; R139-R158 HydrophobicContact CB-CB 4.34Å; R139-R158 WeakPolarHBondContact CD-O 3.44Å; R139-E159 HydrophobicContact CB-CG 4.32Å; R139-H161 PolarHBondContact NH2-CD2 3.48Å; R139-D162 IonicContact CZ-OD1 2.68Å; R139-D162 IonicContact CZ-OD2 3.15Å; R139-D162 VanDerWaalsContact CZ-OD2 3.29Å; R139-D162 IonicContact NE-OD2 3.99Å; R139-D162 PolarHBondContact NE-OD2 3.35Å; R139-D162 IonicContact NH2-OD1 2.84Å; R139-D162 PolarHBondContact NH2-OD1 3.26Å; R139-D162 IonicContact NH2-OD2 3.6Å; R139-D162 PolarHBondContact NH2-OD2 2.96Å
140H91.2Very high95.2Very high96 Ų9658.7 Ų58.744%0.44428%0.284SS..PPolyproline II helixtrans-62.8138.7-176.7-66.6-170.5000112.2E138 R158E138-H140 PolarHBondContact O-CD2 3.44Å; E138-H140 VanDerWaalsContact O-CD2 3.26Å; E138-H140 PolarHBondContact O-N 3.19Å; H140-R158 WeakPolarHBondContact O-CD 3.42Å; H140-R158 PolarHBondContact O-NH1 3.08Å
141Y94.4Very high95.2Very high138 Ų13855.4 Ų55.454%0.54127%0.267SS..PPolyproline II helixtrans-58.9148.6166.5-70.3-72.7000111.3L155 R158Y141-L155 HydrophobicContact CD1-CD1 4.05Å; Y141-L155 HydrophobicContact CD1-CD2 4.22Å; Y141-L155 HydrophobicContact CE1-CD2 4.34Å; Y141-R158 PolarHBondContact O-NH1 3.05Å
142V96.4Very high95.2Very high8 Ų848.7 Ų48.75%0.04824%0.238CC..PPolyproline II helixtrans-75.5141.8179177.30000109.3Y36 E73 V145 S151 M154 L155Y36-V142 WeakPolarHBondContact CE2-O 3.4Å; E73-V142 HydrophobicContact CG-CG1 4.02Å; V142-V145 HydrophobicContact CG1-CB 3.73Å; V142-V145 HydrophobicContact CG1-CG2 3.58Å; V142-S151 WeakPolarHBondContact CG2-O 3.31Å; V142-M154 HydrophobicContact CG1-CB 4.42Å; V142-M154 HydrophobicContact CG1-CG 4.42Å; V142-M154 HydrophobicContact CG2-CB 3.82Å; V142-M154 HydrophobicContact CG2-CG 3.72Å; V142-L155 HydrophobicContact CG2-CB 4.08Å
143R95.1Very high95.4Very high135 Ų13545.8 Ų45.851%0.50923%0.227SC..  trans-131.6-31.7-175.7-60.5-173-178.8-176.7-1.7114H39 I40 E73H39-R143 PolarHBondContact CD2-O 3.45Å; H39-R143 VanDerWaalsContact CD2-O 3.22Å; I40-R143 HydrophobicContact CD1-CB 4.18Å; I40-R143 HydrophobicContact CG1-CB 4.32Å; I40-R143 PolarHBondContact N-O 3.03Å; E73-R143 PolarHBondContact OE2-N 2.71Å
144F95.7Very high95.5Very high30 Ų3042.9 Ų42.913%0.13220%0.196CC..SBendtrans-109.17.1-168.7-54.7-69000113.9I40 T42 K47 L50 T70 E73 T74I40-F144 HydrophobicContact CB-CD1 3.98Å; I40-F144 HydrophobicContact CB-CE1 3.87Å; I40-F144 HydrophobicContact CD1-CE1 3.84Å; I40-F144 HydrophobicContact CD1-CZ 4.1Å; I40-F144 HydrophobicContact CG1-CE1 4.44Å; I40-F144 HydrophobicContact CG2-CD1 4.2Å; I40-F144 HydrophobicContact CG2-CE1 3.87Å; T42-F144 HydrophobicContact CG2-CD1 3.83Å; T42-F144 HydrophobicContact CG2-CE1 4.4Å; K47-F144 PolarHBondContact NZ-O 3.14Å; L50-F144 HydrophobicContact CD1-CD1 4.17Å; L50-F144 HydrophobicContact CD1-CE1 4.08Å; T70-F144 HydrophobicContact CG2-CD2 4.25Å; T70-F144 HydrophobicContact CG2-CE2 4.02Å; E73-F144 HydrophobicContact CB-CB 4.07Å; E73-F144 WeakPolarHBondContact OE2-CD2 3.02Å; E73-F144 PolarHBondContact OE2-N 2.85Å; T74-F144 HydrophobicContact CG2-CB 3.82Å; T74-F144 HydrophobicContact CG2-CD2 4.42Å; T74-F144 HydrophobicContact CG2-CG 4.19Å
145V95.5Very high95.6Very high6 Ų639.9 Ų39.94%0.03619%0.186CC..  trans-94.5119.1171.5-179.50000108.2Y36 H39 E73 L80 V142 L150 M154Y36-V145 WeakPolarHBondContact CE1-O 3.27Å; Y36-V145 VanDerWaalsContact CZ-O 3.32Å; Y36-V145 PolarHBondContact OH-O 3.3Å; H39-V145 PolarHBondContact CD2-O 3.06Å; E73-V145 HydrophobicContact CB-CG2 3.99Å; E73-V145 HydrophobicContact CG-CG2 4.18Å; L80-V145 HydrophobicContact CD1-CG1 4.18Å; L80-V145 HydrophobicContact CD1-CG2 3.87Å; V142-V145 HydrophobicContact CG1-CB 3.73Å; V142-V145 HydrophobicContact CG1-CG2 3.58Å; V145-L150 HydrophobicContact CG1-CB 3.65Å; V145-M154 HydrophobicContact CG2-CB 4.48Å
146D93.8Very high95.7Very high44 Ų4438.4 Ų38.424%0.23518%0.175CC..  trans-75.4-38.2-171-57.8-53.5000113.1N35 H39 K47 P148N35-D146 WeakPolarHBondContact CB-O 3.24Å; N35-D146 PolarHBondContact ND2-O 2.85Å; H39-D146 IonicContact CE1-OD1 2.76Å; H39-D146 PolarHBondContact CE1-OD1 2.82Å; H39-D146 WeakPolarHBondContact NE2-CA 3.14Å; H39-D146 IonicContact NE2-OD1 2.76Å; H39-D146 PolarHBondContact NE2-OD1 3.5Å; K47-D146 IonicContact NZ-OD2 3.62Å; K47-D146 PolarHBondContact NZ-OD2 2.87Å; D146-P148 WeakPolarHBondContact O-CD 3.26Å
147D93.8Very high95.8Very high7 Ų738.7 Ų38.74%0.03718%0.176CC..SBendtrans-76.6125-180-178.2-63.7000111.3H20 V24 D149 L150 S151H20-D147 IonicContact NE2-OD2 3.35Å; V24-D147 WeakPolarHBondContact CG2-OD2 3.37Å; D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 2.87Å; D147-D149 WeakPolarHBondContact OD1-CA 3.49Å; D147-D149 VanDerWaalsContact OD1-CB 3.27Å; D147-D149 WeakPolarHBondContact OD1-CB 3.39Å; D147-D149 PolarHBondContact OD1-N 2.92Å; D147-L150 HydrophobicContact CB-CB 4Å; D147-L150 HydrophobicContact CB-CD1 3.93Å; D147-L150 HydrophobicContact CB-CG 3.79Å; D147-L150 PolarHBondContact O-N 2.6Å; D147-L150 PolarHBondContact OD1-N 3.22Å; D147-S151 WeakPolarHBondContact O-CB 3.46Å; D147-S151 PolarHBondContact O-N 3.4Å
148P94.6Very high95.8Very high30 Ų3036.1 Ų36.120%0.19516%0.161CC..Hα-helixtrans-65.4-23.5-179-23.133000116.2N35 Y36 R100 D146 S151 Y152N35-P148 HydrophobicContact CB-CG 4.14Å; Y36-P148 HydrophobicContact CD1-CB 4.2Å; Y36-P148 HydrophobicContact CD1-CG 4.24Å; R100-P148 PolarHBondContact NH1-O 2.96Å; R100-P148 PolarHBondContact NH2-O 2.78Å; R100-P148 VanDerWaalsContact NH2-O 3.11Å; D146-P148 WeakPolarHBondContact O-CD 3.26Å; P148-S151 WeakPolarHBondContact CA-OG 3.33Å; P148-S151 PolarHBondContact O-OG 2.96Å; P148-S151 VanDerWaalsContact O-OG 3.06Å; P148-Y152 PolarHBondContact O-N 2.91Å
149D96.1Very high96Very high26 Ų2631.1 Ų31.114%0.13914%0.138CC..Hα-helixtrans-77.7-44.3172.9-72.1-46.9000110H20 F84 R100 D147 S151 Y152 V153H20-D149 WeakPolarHBondContact CA-OD2 3.32Å; H20-D149 WeakPolarHBondContact CB-OD2 3.37Å; H20-D149 IonicContact CD2-OD2 2.74Å; H20-D149 PolarHBondContact CD2-OD2 3.29Å; H20-D149 VanDerWaalsContact CD2-OD2 3.26Å; H20-D149 IonicContact CG-OD2 3.09Å; F84-D149 HydrophobicContact CD2-CB 4.18Å; F84-D149 HydrophobicContact CE2-CB 3.63Å; F84-D149 HydrophobicContact CZ-CB 4.06Å; R100-D149 IonicContact CZ-OD1 3.65Å; R100-D149 VanDerWaalsContact NH2-CA 3.34Å; R100-D149 IonicContact NH2-OD1 3.26Å; R100-D149 PolarHBondContact NH2-OD1 3.42Å; D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 2.87Å; D147-D149 WeakPolarHBondContact OD1-CA 3.49Å; D147-D149 VanDerWaalsContact OD1-CB 3.27Å; D147-D149 WeakPolarHBondContact OD1-CB 3.39Å; D147-D149 PolarHBondContact OD1-N 2.92Å; D149-S151 VanDerWaalsContact C-N 3.31Å; D149-S151 PolarHBondContact O-N 3.07Å; D149-Y152 PolarHBondContact O-N 2.87Å; D149-V153 WeakPolarHBondContact O-CG2 3.32Å; D149-V153 PolarHBondContact O-N 2.76Å
150L97.4Very high96.3Very high1 Ų128.1 Ų28.11%0.00513%0.127CC..Hα-helixtrans-67.4-33176-56.7-172.7000112.1E77 L80 R81 F84 V145 D147 Y152 V153 M154E77-L150 HydrophobicContact CG-CD1 4.43Å; L80-L150 HydrophobicContact CB-CB 4.3Å; L80-L150 HydrophobicContact CB-CD2 4.34Å; R81-L150 HydrophobicContact CG-CD1 3.54Å; R81-L150 HydrophobicContact CG-CD2 4.2Å; F84-L150 HydrophobicContact CB-CD2 3.7Å; F84-L150 HydrophobicContact CG-CD2 4.04Å; V145-L150 HydrophobicContact CG1-CB 3.65Å; D147-L150 HydrophobicContact CB-CB 4Å; D147-L150 HydrophobicContact CB-CD1 3.93Å; D147-L150 HydrophobicContact CB-CG 3.79Å; D147-L150 PolarHBondContact O-N 2.6Å; D147-L150 PolarHBondContact OD1-N 3.22Å; L150-Y152 VanDerWaalsContact C-N 3.32Å; L150-V153 PolarHBondContact O-N 3.37Å; L150-M154 PolarHBondContact O-N 3.46Å
151S97.4Very high96.6Very high12 Ų1224.1 Ų24.18%0.08411%0.108CC..Hα-helixtrans-63.8-39.817576.70000111.1Y36 V142 D147 P148 D149 M154 L155Y36-S151 VanDerWaalsContact CE1-CB 3.5Å; Y36-S151 WeakPolarHBondContact CE1-OG 3.17Å; V142-S151 WeakPolarHBondContact CG2-O 3.31Å; D147-S151 WeakPolarHBondContact O-CB 3.46Å; D147-S151 PolarHBondContact O-N 3.4Å; P148-S151 WeakPolarHBondContact CA-OG 3.33Å; P148-S151 PolarHBondContact O-OG 2.96Å; P148-S151 VanDerWaalsContact O-OG 3.06Å; D149-S151 VanDerWaalsContact C-N 3.31Å; D149-S151 PolarHBondContact O-N 3.07Å; S151-M154 PolarHBondContact O-N 3.34Å; S151-L155 WeakPolarHBondContact O-CB 3.22Å; S151-L155 PolarHBondContact O-N 3.47Å
152Y97.9Very high96.8Very high9 Ų917.6 Ų17.64%0.0358%0.083CC..Hα-helixtrans-66.9-40172.2174.5-99.3000112.8I96 L97 R100 P101 P148 D149 L150 M154 L155 R156I96-Y152 HydrophobicContact CG2-CE1 4.13Å; L97-Y152 HydrophobicContact CD2-CD1 4.19Å; L97-Y152 HydrophobicContact CD2-CE1 4.42Å; R100-Y152 WeakPolarHBondContact CA-OH 3.37Å; R100-Y152 HydrophobicContact CB-CD2 3.93Å; R100-Y152 HydrophobicContact CB-CE1 4.31Å; R100-Y152 HydrophobicContact CB-CE2 3.6Å; R100-Y152 HydrophobicContact CB-CG 4.44Å; R100-Y152 HydrophobicContact CG-CD1 4.01Å; R100-Y152 HydrophobicContact CG-CD2 4.02Å; R100-Y152 HydrophobicContact CG-CE1 4.04Å; R100-Y152 HydrophobicContact CG-CE2 4.05Å; R100-Y152 HydrophobicContact CG-CG 4.03Å; P101-Y152 VanDerWaalsContact CD-OH 3.29Å; P101-Y152 WeakPolarHBondContact CD-OH 3.36Å; P101-Y152 PolarHBondContact O-OH 3.31Å; P148-Y152 PolarHBondContact O-N 2.91Å; D149-Y152 PolarHBondContact O-N 2.87Å; L150-Y152 VanDerWaalsContact C-N 3.32Å; Y152-M154 VanDerWaalsContact C-N 3.27Å; Y152-M154 PolarHBondContact O-N 2.64Å; Y152-L155 PolarHBondContact O-N 3.46Å; Y152-L155 VanDerWaalsContact O-N 3.16Å; Y152-R156 HydrophobicContact CE1-CB 4.41Å; Y152-R156 WeakPolarHBondContact O-CB 3.36Å; Y152-R156 PolarHBondContact O-N 2.98Å
153V98.5Very high96.9Very high0 Ų017.2 Ų17.20%08%0.081CC..Hα-helixtrans-58.5-42.8174.5170.90000111.1L80 I83 F84 M87 L97 D149 L150 Y157 M231L80-V153 HydrophobicContact CD2-CB 4.43Å; L80-V153 HydrophobicContact CD2-CG1 3.89Å; I83-V153 HydrophobicContact CB-CG1 3.85Å; I83-V153 HydrophobicContact CD1-CG1 4.48Å; I83-V153 HydrophobicContact CG2-CG1 3.36Å; F84-V153 HydrophobicContact CB-CG2 4.08Å; F84-V153 HydrophobicContact CD2-CG2 3.8Å; F84-V153 HydrophobicContact CG-CG2 4.44Å; M87-V153 HydrophobicContact SD-CG2 4.15Å; L97-V153 HydrophobicContact CD2-CG2 3.83Å; D149-V153 WeakPolarHBondContact O-CG2 3.32Å; D149-V153 PolarHBondContact O-N 2.76Å; L150-V153 PolarHBondContact O-N 3.37Å; V153-Y157 PolarHBondContact O-N 2.99Å; V153-M231 HydrophobicContact CG1-CE 4.25Å; V153-M231 WeakPolarHBondContact O-CE 3.44Å
154M98.2Very high97Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-67.1-39.2176-174.163.1-17300112E73 L80 V142 V145 L150 S151 Y152 Y157 R158 L190 M192E73-M154 HydrophobicContact CG-CE 4.27Å; E73-M154 HydrophobicContact CG-CG 4.18Å; L80-M154 HydrophobicContact CD1-CB 4.04Å; L80-M154 HydrophobicContact CD1-SD 4.5Å; L80-M154 HydrophobicContact CD2-CB 3.74Å; L80-M154 HydrophobicContact CD2-CG 4.4Å; L80-M154 HydrophobicContact CD2-SD 3.94Å; V142-M154 HydrophobicContact CG1-CB 4.42Å; V142-M154 HydrophobicContact CG1-CG 4.42Å; V142-M154 HydrophobicContact CG2-CB 3.82Å; V142-M154 HydrophobicContact CG2-CG 3.72Å; V145-M154 HydrophobicContact CG2-CB 4.48Å; L150-M154 PolarHBondContact O-N 3.46Å; S151-M154 PolarHBondContact O-N 3.34Å; Y152-M154 VanDerWaalsContact C-N 3.27Å; Y152-M154 PolarHBondContact O-N 2.64Å; M154-Y157 HydrophobicContact CE-CD1 4.24Å; M154-Y157 PolarHBondContact O-N 3.1Å; M154-Y157 HydrophobicContact SD-CD1 4.15Å; M154-R158 WeakPolarHBondContact O-CG 3.48Å; M154-R158 PolarHBondContact O-N 2.86Å; M154-L190 HydrophobicContact SD-CD2 4.42Å; M154-M192 HydrophobicContact CE-SD 3.86Å
155L97.7Very high97.2Very high19 Ų199.5 Ų9.510%0.0995%0.051CC..Hα-helixtrans-63-48.6175.4-177.964.2000111.3Y141 V142 S151 Y152 Y157 R158 E159Y141-L155 HydrophobicContact CD1-CD1 4.05Å; Y141-L155 HydrophobicContact CD1-CD2 4.22Å; Y141-L155 HydrophobicContact CE1-CD2 4.34Å; V142-L155 HydrophobicContact CG2-CB 4.08Å; S151-L155 WeakPolarHBondContact O-CB 3.22Å; S151-L155 PolarHBondContact O-N 3.47Å; Y152-L155 PolarHBondContact O-N 3.46Å; Y152-L155 VanDerWaalsContact O-N 3.16Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.39Å; L155-R158 WeakPolarHBondContact O-CB 3.46Å; L155-R158 PolarHBondContact O-N 2.82Å; L155-E159 HydrophobicContact CD1-CG 4.22Å; L155-E159 WeakPolarHBondContact CD1-OE1 3.49Å; L155-E159 HydrophobicContact CG-CG 4.38Å; L155-E159 PolarHBondContact O-N 3.06Å
156R98.1Very high97.3Very high3 Ų39.7 Ų9.71%0.0115%0.052CC..Hα-helixtrans-56.5-46.1176.7-178.7172.4-171.277.4-0.7110.6I96 Y152 R158 E159 I160 M231 V233 E236I96-R156 VanDerWaalsContact CG2-CD 3.4Å; I96-R156 VanDerWaalsContact CG2-CZ 3.47Å; I96-R156 VanDerWaalsContact CG2-NE 3.31Å; Y152-R156 HydrophobicContact CE1-CB 4.41Å; Y152-R156 WeakPolarHBondContact O-CB 3.36Å; Y152-R156 PolarHBondContact O-N 2.98Å; R156-R158 VanDerWaalsContact C-N 3.25Å; R156-R158 PolarHBondContact O-N 3.33Å; R156-E159 PolarHBondContact O-N 3Å; R156-I160 HydrophobicContact CG-CG2 4.06Å; R156-I160 WeakPolarHBondContact O-CG1 3.22Å; R156-I160 WeakPolarHBondContact O-CG2 3.18Å; R156-I160 PolarHBondContact O-N 3.17Å; R156-M231 HydrophobicContact CB-CE 3.91Å; R156-M231 HydrophobicContact CG-CE 3.86Å; R156-M231 PolarHBondContact NE-O 3.27Å; R156-M231 VanDerWaalsContact NE-O 3.17Å; R156-V233 PolarHBondContact NH2-O 3.41Å; R156-E236 IonicContact CZ-OE1 3.77Å; R156-E236 IonicContact NH1-OE1 3.55Å; R156-E236 PolarHBondContact NH1-OE1 3.44Å; R156-E236 IonicContact NH1-OE2 2.91Å; R156-E236 IonicContact NH2-OE1 3.74Å; R156-E236 IonicContact NH2-OE2 2.81Å; R156-E236 PolarHBondContact NH2-OE2 2.93Å
157Y98.3Very high97.5Very high7 Ų77.6 Ų7.63%0.0274%0.041CC..Hα-helixtrans-53.8-44.3176.9162.5-100.2000111.6V153 M154 L155 H161 K181 E184 T188 L190 M192 C193 M231V153-Y157 PolarHBondContact O-N 2.99Å; M154-Y157 HydrophobicContact CE-CD1 4.24Å; M154-Y157 PolarHBondContact O-N 3.1Å; M154-Y157 HydrophobicContact SD-CD1 4.15Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.39Å; Y157-H161 PolarHBondContact O-N 3.49Å; Y157-K181 PolarHBondContact OH-NZ 2.84Å; Y157-E184 HydrophobicContact CE2-CB 4.3Å; Y157-E184 HydrophobicContact CE2-CG 4.13Å; Y157-E184 PolarHBondContact OH-OE2 3.44Å; Y157-T188 HydrophobicContact CD2-CG2 4.47Å; Y157-L190 HydrophobicContact CD1-CD1 3.77Å; Y157-L190 HydrophobicContact CD2-CD1 3.79Å; Y157-L190 HydrophobicContact CE1-CD1 3.95Å; Y157-L190 HydrophobicContact CE2-CD1 3.96Å; Y157-L190 HydrophobicContact CG-CD1 3.71Å; Y157-M192 HydrophobicContact CE1-CE 3.65Å; Y157-M192 HydrophobicContact CE1-SD 3.89Å; Y157-C193 PolarHBondContact OH-SG 2.81Å; Y157-M231 HydrophobicContact CD2-SD 4.47Å
158R96.9Very high97.6Very high12 Ų127.3 Ų7.35%0.0454%0.039CC..Hα-helixtrans-66-47.3177.4-69.5177.4171.1167.25.9112.6S69 E73 R139 H140 Y141 M154 L155 R156 I160 H161S69-R158 VanDerWaalsContact C-NH2 3.29Å; S69-R158 PolarHBondContact O-NH2 2.86Å; E73-R158 VanDerWaalsContact CD-NH2 3.32Å; E73-R158 IonicContact OE1-CZ 3.63Å; E73-R158 IonicContact OE1-NH1 3Å; E73-R158 PolarHBondContact OE1-NH1 2.77Å; E73-R158 IonicContact OE1-NH2 3.36Å; E73-R158 PolarHBondContact OE1-NH2 3.25Å; R139-R158 HydrophobicContact CB-CB 4.34Å; R139-R158 WeakPolarHBondContact CD-O 3.44Å; H140-R158 WeakPolarHBondContact O-CD 3.42Å; H140-R158 PolarHBondContact O-NH1 3.08Å; Y141-R158 PolarHBondContact O-NH1 3.05Å; M154-R158 WeakPolarHBondContact O-CG 3.48Å; M154-R158 PolarHBondContact O-N 2.86Å; L155-R158 WeakPolarHBondContact O-CB 3.46Å; L155-R158 PolarHBondContact O-N 2.82Å; R156-R158 VanDerWaalsContact C-N 3.25Å; R156-R158 PolarHBondContact O-N 3.33Å; R158-I160 VanDerWaalsContact C-N 3.34Å; R158-I160 PolarHBondContact O-N 2.89Å; R158-H161 VanDerWaalsContact O-CB 3.29Å; R158-H161 WeakPolarHBondContact O-CB 3.29Å; R158-H161 PolarHBondContact O-N 2.91Å
159E97.6Very high97.7Very high4 Ų47.7 Ų7.72%0.0195%0.049CC..Hα-helixtrans-70.1-31-173.4-75.3-173.7179.400112.5T102 I103 R104 R139 L155 R156 H161T102-E159 WeakPolarHBondContact CA-OE2 3.23Å; T102-E159 VanDerWaalsContact CB-OE2 3.3Å; T102-E159 WeakPolarHBondContact CB-OE2 3.33Å; I103-E159 HydrophobicContact CB-CB 4.12Å; I103-E159 HydrophobicContact CG1-CB 4.38Å; I103-E159 PolarHBondContact N-OE2 2.73Å; R104-E159 IonicContact CZ-OE1 2.84Å; R104-E159 IonicContact NE-OE1 3.53Å; R104-E159 PolarHBondContact NE-OE1 2.85Å; R104-E159 IonicContact NH2-OE1 3.51Å; R104-E159 PolarHBondContact NH2-OE1 2.91Å; R139-E159 HydrophobicContact CB-CG 4.32Å; L155-E159 HydrophobicContact CD1-CG 4.22Å; L155-E159 WeakPolarHBondContact CD1-OE1 3.49Å; L155-E159 HydrophobicContact CG-CG 4.38Å; L155-E159 PolarHBondContact O-N 3.06Å; R156-E159 PolarHBondContact O-N 3Å; E159-H161 VanDerWaalsContact C-N 3.33Å
160I98.2Very high97.7Very high4 Ų46.8 Ų6.82%0.0214%0.044CC..THydrogen-bonded Turntrans-82.6-7.2175.372.7164.2000113.8R156 R158 D162 L163 V164 M231 F235R156-I160 HydrophobicContact CG-CG2 4.06Å; R156-I160 WeakPolarHBondContact O-CG1 3.22Å; R156-I160 WeakPolarHBondContact O-CG2 3.18Å; R156-I160 PolarHBondContact O-N 3.17Å; R158-I160 VanDerWaalsContact C-N 3.34Å; R158-I160 PolarHBondContact O-N 2.89Å; I160-D162 VanDerWaalsContact C-N 3.34Å; I160-D162 PolarHBondContact O-N 2.75Å; I160-L163 HydrophobicContact CB-CD1 4.44Å; I160-L163 HydrophobicContact CG2-CD1 4.36Å; I160-L163 CarbonylContact O-C 3.5Å; I160-L163 WeakPolarHBondContact O-CA 3.24Å; I160-L163 VanDerWaalsContact O-CB 3.27Å; I160-L163 WeakPolarHBondContact O-CB 3.24Å; I160-L163 PolarHBondContact O-N 2.84Å; I160-V164 HydrophobicContact CD1-CG2 4.18Å; I160-V164 HydrophobicContact CG1-CG2 4.28Å; I160-V164 WeakPolarHBondContact O-CG2 3.34Å; I160-V164 PolarHBondContact O-N 3.31Å; I160-M231 HydrophobicContact CD1-SD 3.76Å; I160-M231 HydrophobicContact CG1-SD 4.47Å; I160-F235 HydrophobicContact CB-CD2 4.23Å; I160-F235 HydrophobicContact CB-CE2 4.07Å; I160-F235 HydrophobicContact CD1-CE2 3.94Å; I160-F235 HydrophobicContact CG2-CD2 3.87Å; I160-F235 HydrophobicContact CG2-CE2 4.14Å
161H97.8Very high97.6Very high11 Ų118.5 Ų8.55%0.0516%0.055CC..Hα-helixtrans-57.9-44.1-172.3178.160.1000112.9R139 Y157 R158 E159 L163 V164 H165 E177 K181 E184R139-H161 PolarHBondContact NH2-CD2 3.48Å; Y157-H161 PolarHBondContact O-N 3.49Å; R158-H161 VanDerWaalsContact O-CB 3.29Å; R158-H161 WeakPolarHBondContact O-CB 3.29Å; R158-H161 PolarHBondContact O-N 2.91Å; E159-H161 VanDerWaalsContact C-N 3.33Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 3.36Å; H161-V164 WeakPolarHBondContact O-CB 3.29Å; H161-V164 PolarHBondContact O-N 3Å; H161-V164 VanDerWaalsContact O-N 3.16Å; H161-H165 AromaticContact CE1-CD2 3.58Å; H161-H165 AromaticContact CE1-NE2 3.29Å; H161-H165 PolarHBondContact CE1-NE2 3.26Å; H161-H165 VanDerWaalsContact CE1-NE2 3.29Å; H161-H165 AromaticContact NE2-CD2 3.68Å; H161-H165 AromaticContact NE2-NE2 3.4Å; H161-H165 PolarHBondContact NE2-NE2 3.37Å; H161-H165 PolarHBondContact O-CD2 3.45Å; H161-H165 PolarHBondContact O-N 2.64Å; H161-E177 IonicContact NE2-OE2 3.94Å; H161-K181 PolarHBondContact CE1-NZ 3.23Å; H161-K181 VanDerWaalsContact CE1-NZ 3.31Å; H161-E184 IonicContact CE1-OE1 3.01Å; H161-E184 IonicContact CG-OE1 2.62Å; H161-E184 IonicContact ND1-OE1 3.13Å; H161-E184 PolarHBondContact ND1-OE1 3.11Å; H161-E184 IonicContact ND1-OE2 3.03Å
162D97.9Very high97.4Very high2 Ų29.1 Ų9.11%0.0116%0.058CC..Hα-helixtrans-69.9-30.4176.6-64.7-49.8000112.7Y125 F128 R139 I160 V164 H165 T166Y125-D162 HydrophobicContact CE2-CB 3.83Å; F128-D162 HydrophobicContact CD1-CB 4.27Å; F128-D162 HydrophobicContact CE1-CB 3.75Å; F128-D162 WeakPolarHBondContact CE1-OD1 3.39Å; R139-D162 IonicContact CZ-OD1 2.68Å; R139-D162 IonicContact CZ-OD2 3.15Å; R139-D162 VanDerWaalsContact CZ-OD2 3.29Å; R139-D162 IonicContact NE-OD2 3.99Å; R139-D162 PolarHBondContact NE-OD2 3.35Å; R139-D162 IonicContact NH2-OD1 2.84Å; R139-D162 PolarHBondContact NH2-OD1 3.26Å; R139-D162 IonicContact NH2-OD2 3.6Å; R139-D162 PolarHBondContact NH2-OD2 2.96Å; I160-D162 VanDerWaalsContact C-N 3.34Å; I160-D162 PolarHBondContact O-N 2.75Å; D162-V164 VanDerWaalsContact C-N 3.33Å; D162-H165 PolarHBondContact O-N 3.22Å; D162-T166 PolarHBondContact O-N 3.28Å; D162-T166 PolarHBondContact O-OG1 2.7Å
163L98.5Very high97.2Very high0 Ų011.4 Ų11.40%07%0.071CC..Hα-helixtrans-66.3-38.1171.3-65.4171.4000110.8I103 F121 Y125 I160 H161 T166 L167 F235 W239I103-L163 HydrophobicContact CD1-CD1 3.96Å; I103-L163 HydrophobicContact CG1-CD1 3.84Å; I103-L163 HydrophobicContact CG2-CD1 4.33Å; F121-L163 HydrophobicContact CE1-CD2 3.88Å; F121-L163 HydrophobicContact CZ-CB 4.02Å; F121-L163 HydrophobicContact CZ-CD2 3.57Å; F121-L163 HydrophobicContact CZ-CG 4.36Å; Y125-L163 HydrophobicContact CD1-CD2 3.68Å; Y125-L163 HydrophobicContact CD2-CD2 3.42Å; Y125-L163 VanDerWaalsContact CD2-CD2 3.42Å; Y125-L163 HydrophobicContact CD2-CG 4.21Å; Y125-L163 HydrophobicContact CE1-CD2 3.89Å; Y125-L163 HydrophobicContact CE2-CD2 3.63Å; Y125-L163 HydrophobicContact CE2-CG 4.02Å; Y125-L163 HydrophobicContact CG-CD2 3.43Å; Y125-L163 VanDerWaalsContact CG-CD2 3.43Å; I160-L163 HydrophobicContact CB-CD1 4.44Å; I160-L163 HydrophobicContact CG2-CD1 4.36Å; I160-L163 CarbonylContact O-C 3.5Å; I160-L163 WeakPolarHBondContact O-CA 3.24Å; I160-L163 VanDerWaalsContact O-CB 3.27Å; I160-L163 WeakPolarHBondContact O-CB 3.24Å; I160-L163 PolarHBondContact O-N 2.84Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 3.36Å; L163-T166 WeakPolarHBondContact O-CB 3.45Å; L163-T166 PolarHBondContact O-N 3.46Å; L163-L167 VanDerWaalsContact O-CB 3.29Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 PolarHBondContact O-N 3.42Å; L163-F235 HydrophobicContact CB-CD1 4.29Å; L163-F235 HydrophobicContact CB-CE1 4.32Å; L163-F235 HydrophobicContact CB-CG 4.49Å; L163-F235 HydrophobicContact CD1-CB 3.86Å; L163-F235 HydrophobicContact CD1-CD1 4.46Å; L163-F235 HydrophobicContact CD1-CD2 4.33Å; L163-F235 HydrophobicContact CD1-CG 3.98Å; L163-W239 HydrophobicContact CD1-CH2 4.15Å; L163-W239 HydrophobicContact CD2-CH2 3.64Å; L163-W239 HydrophobicContact CD2-CZ3 3.54Å
164V98.4Very high96.9Very high2 Ų215.1 Ų15.11%0.0129%0.09CC..Hα-helixtrans-65-44.5173.91750000110.6I160 H161 D162 T166 L167 L168 V180 L230I160-V164 HydrophobicContact CD1-CG2 4.18Å; I160-V164 HydrophobicContact CG1-CG2 4.28Å; I160-V164 WeakPolarHBondContact O-CG2 3.34Å; I160-V164 PolarHBondContact O-N 3.31Å; H161-V164 WeakPolarHBondContact O-CB 3.29Å; H161-V164 PolarHBondContact O-N 3Å; H161-V164 VanDerWaalsContact O-N 3.16Å; D162-V164 VanDerWaalsContact C-N 3.33Å; V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 PolarHBondContact O-N 3.36Å; V164-L167 PolarHBondContact O-N 3.31Å; V164-L168 HydrophobicContact CG1-CD1 3.6Å; V164-L168 HydrophobicContact CG1-CG 4.03Å; V164-L168 WeakPolarHBondContact O-CB 3.31Å; V164-L168 VanDerWaalsContact O-CG 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.4Å; V164-L168 PolarHBondContact O-N 2.79Å; V164-V180 HydrophobicContact CG1-CG1 3.92Å; V164-L230 HydrophobicContact CG1-CD1 3.98Å; V164-L230 HydrophobicContact CG2-CD1 4Å
165H97.9Very high96.7Very high1 Ų115.3 Ų15.31%0.0059%0.09CC..Hα-helixtrans-55.1-47.2172.2-88.1-87.2000112.2F128 H161 D162 L168 G169 Q170 P171 E177 V180F128-H165 HydrophobicContact CD2-CB 4.37Å; F128-H165 HydrophobicContact CE1-CB 4.44Å; F128-H165 HydrophobicContact CE2-CB 3.51Å; F128-H165 HydrophobicContact CZ-CB 3.55Å; F128-H165 AromaticContact CZ-CG 3.97Å; H161-H165 AromaticContact CE1-CD2 3.58Å; H161-H165 AromaticContact CE1-NE2 3.29Å; H161-H165 PolarHBondContact CE1-NE2 3.26Å; H161-H165 VanDerWaalsContact CE1-NE2 3.29Å; H161-H165 AromaticContact NE2-CD2 3.68Å; H161-H165 AromaticContact NE2-NE2 3.4Å; H161-H165 PolarHBondContact NE2-NE2 3.37Å; H161-H165 PolarHBondContact O-CD2 3.45Å; H161-H165 PolarHBondContact O-N 2.64Å; D162-H165 PolarHBondContact O-N 3.22Å; H165-L168 PolarHBondContact O-N 2.62Å; H165-G169 PolarHBondContact O-N 3.06Å; H165-Q170 PolarHBondContact ND1-O 3.16Å; H165-Q170 VanDerWaalsContact ND1-O 3.1Å; H165-Q170 PolarHBondContact O-N 3.22Å; H165-P171 PolarHBondContact CE1-O 3.01Å; H165-P171 PolarHBondContact ND1-O 2.88Å; H165-E177 IonicContact CE1-OE1 3.35Å; H165-E177 IonicContact NE2-OE1 3.74Å; H165-E177 IonicContact NE2-OE2 3.74Å; H165-V180 VanDerWaalsContact CE1-CG2 3.47Å; H165-V180 WeakPolarHBondContact CE1-CG2 3.45Å
166T97.8Very high96.6Very high10 Ų1014.4 Ų14.46%0.0619%0.086CC..Hα-helixtrans-60.8-49.8178.5-58.60000111.2F121 A124 D162 L163 V164 L168 G169 R247F121-T166 HydrophobicContact CD2-CG2 4.14Å; F121-T166 HydrophobicContact CE2-CG2 3.91Å; A124-T166 HydrophobicContact CB-CG2 3.7Å; D162-T166 PolarHBondContact O-N 3.28Å; D162-T166 PolarHBondContact O-OG1 2.7Å; L163-T166 WeakPolarHBondContact O-CB 3.45Å; L163-T166 PolarHBondContact O-N 3.46Å; V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 PolarHBondContact O-N 3.36Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-L168 PolarHBondContact O-N 3.17Å; T166-G169 PolarHBondContact O-N 2.94Å; T166-R247 PolarHBondContact O-NH2 3.28Å
167L98.1Very high96.4Very high0 Ų016.7 Ų16.70%010%0.097CC..Hα-helixtrans-62.2-41.8-179.9-175.667.4000111.2F121 L163 V164 G169 L230 F235 L243 L246 R247 L250 I252F121-L167 HydrophobicContact CE2-CB 4.24Å; L163-L167 VanDerWaalsContact O-CB 3.29Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 PolarHBondContact O-N 3.42Å; V164-L167 PolarHBondContact O-N 3.31Å; L167-G169 VanDerWaalsContact C-N 3.28Å; L167-G169 PolarHBondContact O-N 2.86Å; L167-L230 HydrophobicContact CD2-CD2 3.83Å; L167-F235 HydrophobicContact CD2-CE1 4.04Å; L167-F235 HydrophobicContact CD2-CZ 4.24Å; L167-L243 HydrophobicContact CD1-CD1 4.34Å; L167-L246 HydrophobicContact CD1-CD2 4.03Å; L167-L246 HydrophobicContact CD1-CG 4.09Å; L167-R247 HydrophobicContact CD1-CG 4.04Å; L167-R247 VanDerWaalsContact O-CZ 3.3Å; L167-R247 PolarHBondContact O-NE 2.98Å; L167-R247 PolarHBondContact O-NH2 2.96Å; L167-L250 HydrophobicContact CD1-CD1 4.17Å; L167-L250 HydrophobicContact CD2-CD1 3.76Å; L167-I252 HydrophobicContact CD1-CD1 4.29Å; L167-I252 HydrophobicContact CD2-CD1 3.34Å; L167-I252 HydrophobicContact CG-CD1 3.69Å
168L97.6Very high96.3Very high0 Ų016.5 Ų16.50%010%0.096CC..THydrogen-bonded Turntrans-84-0.5179.9-59.2-175.7000113.7V164 H165 T166 Q170 V180 V183 Y219 T223 I252 P255V164-L168 HydrophobicContact CG1-CD1 3.6Å; V164-L168 HydrophobicContact CG1-CG 4.03Å; V164-L168 WeakPolarHBondContact O-CB 3.31Å; V164-L168 VanDerWaalsContact O-CG 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.4Å; V164-L168 PolarHBondContact O-N 2.79Å; H165-L168 PolarHBondContact O-N 2.62Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-L168 PolarHBondContact O-N 3.17Å; L168-Q170 HydrophobicContact CB-CG 3.94Å; L168-Q170 PolarHBondContact O-N 2.95Å; L168-Q170 PolarHBondContact O-NE2 2.93Å; L168-Q170 VanDerWaalsContact O-NE2 3.13Å; L168-V180 HydrophobicContact CD1-CG2 4.23Å; L168-V183 HydrophobicContact CD1-CB 3.96Å; L168-V183 HydrophobicContact CD1-CG1 3.98Å; L168-V183 HydrophobicContact CD1-CG2 3.85Å; L168-Y219 PolarHBondContact O-OH 2.69Å; L168-T223 HydrophobicContact CD2-CG2 3.7Å; L168-I252 HydrophobicContact CD2-CD1 4.25Å; L168-I252 HydrophobicContact CD2-CG2 3.88Å; L168-P255 VanDerWaalsContact O-CB 3.31Å; L168-P255 WeakPolarHBondContact O-CB 3.37Å
169G96Very high96.3Very high39 Ų3916 Ų1640%0.4029%0.094SC..THydrogen-bonded Turntrans59.127.6-17800000113.6H165 T166 L167H165-G169 PolarHBondContact O-N 3.06Å; T166-G169 PolarHBondContact O-N 2.94Å; L167-G169 VanDerWaalsContact C-N 3.28Å; L167-G169 PolarHBondContact O-N 2.86Å
170Q96Very high96.3Very high6 Ų615.8 Ų15.83%0.0289%0.093CC..  trans-97.8131-176.5-64.9-53.4-5800111.3H165 L168 V179 V180H165-Q170 PolarHBondContact ND1-O 3.16Å; H165-Q170 VanDerWaalsContact ND1-O 3.1Å; H165-Q170 PolarHBondContact O-N 3.22Å; L168-Q170 HydrophobicContact CB-CG 3.94Å; L168-Q170 PolarHBondContact O-N 2.95Å; L168-Q170 PolarHBondContact O-NE2 2.93Å; L168-Q170 VanDerWaalsContact O-NE2 3.13Å; Q170-V179 HydrophobicContact CG-CB 4.13Å; Q170-V179 HydrophobicContact CG-CG1 3.67Å; Q170-V180 HydrophobicContact CB-CG2 3.76Å; Q170-V180 HydrophobicContact CG-CG2 4.03Å
171P94.9Very high96.3Very high38 Ų3816.4 Ų16.425%0.24710%0.096CC..  trans-68.3174171.132.4-35.9000111.5Y132 H165 D173 G176Y132-P171 VanDerWaalsContact OH-CA 3.3Å; Y132-P171 WeakPolarHBondContact OH-CA 3.47Å; Y132-P171 WeakPolarHBondContact OH-CB 3.45Å; H165-P171 PolarHBondContact CE1-O 3.01Å; H165-P171 PolarHBondContact ND1-O 2.88Å; P171-D173 VanDerWaalsContact C-N 3.31Å; P171-D173 VanDerWaalsContact CG-OD2 3.23Å; P171-D173 WeakPolarHBondContact CG-OD2 3.4Å; P171-G176 CarbonylContact O-C 3.49Å; P171-G176 VanDerWaalsContact O-CA 3.3Å; P171-G176 WeakPolarHBondContact O-CA 3.36Å
172T93.7Very high96.3Very high25 Ų2519.1 Ų19.115%0.15311%0.106CC..SBendtrans-9720.8175.753.70000112.3F128 Y132 Y134F128-T172 HydrophobicContact CE1-CG2 4.49Å; F128-T172 HydrophobicContact CE2-CG2 3.94Å; F128-T172 HydrophobicContact CZ-CG2 3.46Å; F128-T172 VanDerWaalsContact CZ-CG2 3.46Å; Y132-T172 WeakPolarHBondContact CD1-OG1 3.48Å; Y132-T172 HydrophobicContact CD2-CG2 4.3Å; Y132-T172 WeakPolarHBondContact CE1-OG1 3.44Å; Y132-T172 HydrophobicContact CE2-CG2 4.24Å; Y134-T172 HydrophobicContact CE2-CG2 3.77Å
173D92.7Very high96.4Very high56 Ų5619 Ų1930%0.29911%0.105SC..SBendtrans-76.4168.1167.169.347.9000110.6P171 L175 G176 E177 R259P171-D173 VanDerWaalsContact C-N 3.31Å; P171-D173 VanDerWaalsContact CG-OD2 3.23Å; P171-D173 WeakPolarHBondContact CG-OD2 3.4Å; D173-L175 PolarHBondContact O-N 3.18Å; D173-L175 WeakPolarHBondContact OD1-CA 3.19Å; D173-L175 WeakPolarHBondContact OD1-CB 3.4Å; D173-L175 PolarHBondContact OD1-N 2.85Å; D173-G176 PolarHBondContact O-N 2.89Å; D173-G176 VanDerWaalsContact O-N 3.08Å; D173-G176 PolarHBondContact OD1-N 3.29Å; D173-E177 WeakPolarHBondContact O-CG 3.33Å; D173-E177 PolarHBondContact O-N 3.47Å; D173-R259 IonicContact OD1-NH2 3.84Å; D173-R259 PolarHBondContact OD1-NH2 3.02Å; D173-R259 IonicContact OD2-CZ 3.76Å; D173-R259 IonicContact OD2-NH2 2.73Å; D173-R259 PolarHBondContact OD2-NH2 3.38Å
174M91.9Very high96.4Very high79 Ų7919.4 Ų19.439%0.38911%0.107SC..Hα-helixtrans-54.4-34.3-175.8-169.563.767.100113.9V178 L204M174-V178 WeakPolarHBondContact O-CB 3.32Å; M174-V178 WeakPolarHBondContact O-CG2 3.27Å; M174-V178 PolarHBondContact O-N 3.49Å; M174-V178 VanDerWaalsContact O-N 3.14Å; M174-L204 HydrophobicContact CB-CD2 4.21Å; M174-L204 HydrophobicContact CG-CD2 3.74Å
175L94.1Very high96.4Very high3 Ų319.4 Ų19.42%0.01611%0.107CC..Hα-helixtrans-72.8-47.5179174.859.3000110.6D173 E177 V178 V179 L204 Q208 C211 F212 H216D173-L175 PolarHBondContact O-N 3.18Å; D173-L175 WeakPolarHBondContact OD1-CA 3.19Å; D173-L175 WeakPolarHBondContact OD1-CB 3.4Å; D173-L175 PolarHBondContact OD1-N 2.85Å; L175-E177 PolarHBondContact O-N 3.27Å; L175-V178 PolarHBondContact O-N 2.96Å; L175-V179 HydrophobicContact CD1-CG2 4.33Å; L175-V179 VanDerWaalsContact O-CG2 3.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.39Å; L175-V179 PolarHBondContact O-N 2.61Å; L175-L204 HydrophobicContact CB-CD2 4.15Å; L175-L204 HydrophobicContact CD1-CD1 4.15Å; L175-L204 HydrophobicContact CD1-CD2 4.38Å; L175-Q208 HydrophobicContact CB-CB 4.41Å; L175-Q208 HydrophobicContact CB-CG 4.4Å; L175-C211 HydrophobicContact CD2-CB 3.89Å; L175-F212 HydrophobicContact CD1-CB 3.65Å; L175-F212 HydrophobicContact CD1-CD2 3.8Å; L175-F212 HydrophobicContact CD1-CG 4.12Å; L175-H216 HydrophobicContact CD1-CB 4.45Å
176G95.4Very high96.4Very high1 Ų121.6 Ų21.61%0.0112%0.119CC..Hα-helixtrans-62.6-41.6179.100000112.5P171 D173 V178 V179 V180P171-G176 CarbonylContact O-C 3.49Å; P171-G176 VanDerWaalsContact O-CA 3.3Å; P171-G176 WeakPolarHBondContact O-CA 3.36Å; D173-G176 PolarHBondContact O-N 2.89Å; D173-G176 VanDerWaalsContact O-N 3.08Å; D173-G176 PolarHBondContact OD1-N 3.29Å; G176-V178 PolarHBondContact O-N 3.47Å; G176-V179 PolarHBondContact O-N 3.08Å; G176-V180 WeakPolarHBondContact O-CG2 3.42Å; G176-V180 PolarHBondContact O-N 2.6Å
177E95.4Very high96.4Very high51 Ų5121.7 Ų21.724%0.23812%0.118CC..Hα-helixtrans-57.5-48.2172.1-72.3-63.5156.300111.7H161 H165 D173 L175 V179 V180 K181H161-E177 IonicContact NE2-OE2 3.94Å; H165-E177 IonicContact CE1-OE1 3.35Å; H165-E177 IonicContact NE2-OE1 3.74Å; H165-E177 IonicContact NE2-OE2 3.74Å; D173-E177 WeakPolarHBondContact O-CG 3.33Å; D173-E177 PolarHBondContact O-N 3.47Å; L175-E177 PolarHBondContact O-N 3.27Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.04Å; E177-V180 PolarHBondContact O-N 3.29Å; E177-K181 WeakPolarHBondContact O-CB 3.28Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 2.96Å
178V95.9Very high96.4Very high3 Ų322 Ų222%0.01812%0.12CC..Hα-helixtrans-58.7-43.9177.5163.70000111.5M174 L175 G176 K181 W182 S201 L204 F212M174-V178 WeakPolarHBondContact O-CB 3.32Å; M174-V178 WeakPolarHBondContact O-CG2 3.27Å; M174-V178 PolarHBondContact O-N 3.49Å; M174-V178 VanDerWaalsContact O-N 3.14Å; L175-V178 PolarHBondContact O-N 2.96Å; G176-V178 PolarHBondContact O-N 3.47Å; V178-K181 PolarHBondContact O-N 3.46Å; V178-W182 VanDerWaalsContact O-CD1 3.25Å; V178-W182 PolarHBondContact O-N 2.83Å; V178-S201 WeakPolarHBondContact CG1-OG 3.47Å; V178-L204 HydrophobicContact CG2-CD2 4.26Å; V178-F212 HydrophobicContact CG1-CD2 4.16Å; V178-F212 HydrophobicContact CG1-CE2 3.57Å; V178-F212 HydrophobicContact CG1-CZ 3.9Å
179V97Very high96.4Very high0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-62.1-48.4178.6171.20000111.3Q170 L175 G176 E177 K181 W182 V183 H216 Y219 A220Q170-V179 HydrophobicContact CG-CB 4.13Å; Q170-V179 HydrophobicContact CG-CG1 3.67Å; L175-V179 HydrophobicContact CD1-CG2 4.33Å; L175-V179 VanDerWaalsContact O-CG2 3.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.39Å; L175-V179 PolarHBondContact O-N 2.61Å; G176-V179 PolarHBondContact O-N 3.08Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.04Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.29Å; V179-W182 PolarHBondContact O-N 3.37Å; V179-V183 PolarHBondContact O-N 2.95Å; V179-V183 VanDerWaalsContact O-N 3.09Å; V179-H216 HydrophobicContact CG2-CB 3.57Å; V179-Y219 HydrophobicContact CG1-CD1 4.08Å; V179-Y219 HydrophobicContact CG1-CE1 4.32Å; V179-A220 HydrophobicContact CG1-CB 4.07Å
180V97.8Very high96.5Very high0 Ų023.9 Ų23.90%012%0.121CC..Hα-helixtrans-61.5-43.5177.5172.30000110.5V164 H165 L168 Q170 G176 E177 W182 V183 E184V164-V180 HydrophobicContact CG1-CG1 3.92Å; H165-V180 VanDerWaalsContact CE1-CG2 3.47Å; H165-V180 WeakPolarHBondContact CE1-CG2 3.45Å; L168-V180 HydrophobicContact CD1-CG2 4.23Å; Q170-V180 HydrophobicContact CB-CG2 3.76Å; Q170-V180 HydrophobicContact CG-CG2 4.03Å; G176-V180 WeakPolarHBondContact O-CG2 3.42Å; G176-V180 PolarHBondContact O-N 2.6Å; E177-V180 PolarHBondContact O-N 3.29Å; V180-W182 VanDerWaalsContact C-N 3.31Å; V180-W182 PolarHBondContact O-N 3.17Å; V180-V183 PolarHBondContact O-N 2.96Å; V180-E184 HydrophobicContact CG1-CG 4.07Å; V180-E184 WeakPolarHBondContact O-CB 3.38Å; V180-E184 VanDerWaalsContact O-CG 3.31Å; V180-E184 WeakPolarHBondContact O-CG 3.26Å; V180-E184 PolarHBondContact O-N 2.8Å
181K97.8Very high96.5Very high17 Ų1725.2 Ų25.27%0.07413%0.13CC..Hα-helixtrans-64.5-32.3177.6-66.9-66.9161.5-144.30113.2Y157 H161 E177 V178 V179 E184 G185Y157-K181 PolarHBondContact OH-NZ 2.84Å; H161-K181 PolarHBondContact CE1-NZ 3.23Å; H161-K181 VanDerWaalsContact CE1-NZ 3.31Å; E177-K181 WeakPolarHBondContact O-CB 3.28Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 2.96Å; V178-K181 PolarHBondContact O-N 3.46Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.29Å; K181-E184 IonicContact NZ-OE2 3.68Å; K181-E184 PolarHBondContact NZ-OE2 3.04Å; K181-G185 WeakPolarHBondContact O-CA 3.26Å; K181-G185 PolarHBondContact O-N 3.02Å
182W98.1Very high96.5Very high69 Ų6923.9 Ų23.926%0.26112%0.12SC..Hα-helixtrans-65.5-47.4170.9-90.8102.6000112V178 V179 V180 G185 I186 G197 S201 F212 L217 A220V178-W182 VanDerWaalsContact O-CD1 3.25Å; V178-W182 PolarHBondContact O-N 2.83Å; V179-W182 PolarHBondContact O-N 3.37Å; V180-W182 VanDerWaalsContact C-N 3.31Å; V180-W182 PolarHBondContact O-N 3.17Å; W182-G185 PolarHBondContact O-N 3.19Å; W182-I186 HydrophobicContact CE3-CD1 4.14Å; W182-I186 HydrophobicContact CE3-CG1 4.35Å; W182-I186 WeakPolarHBondContact O-CB 3.21Å; W182-I186 WeakPolarHBondContact O-CD1 3.41Å; W182-I186 WeakPolarHBondContact O-CG1 3.27Å; W182-I186 PolarHBondContact O-N 3.46Å; W182-G197 PolarHBondContact NE1-O 3.13Å; W182-S201 PolarHBondContact NE1-OG 3.49Å; W182-F212 AromaticContact CD1-CZ 3.95Å; W182-F212 AromaticContact NE1-CZ 3.66Å; W182-L217 HydrophobicContact CD2-CD1 4.42Å; W182-A220 HydrophobicContact CB-CB 3.71Å
183V98.6Very high96.7Very high0 Ų022.7 Ų22.70%011%0.113CC..Hα-helixtrans-60.9-50.3176.8175.30000110.6L168 V179 V180 G185 I186 Q187 A220 T223 L230L168-V183 HydrophobicContact CD1-CB 3.96Å; L168-V183 HydrophobicContact CD1-CG1 3.98Å; L168-V183 HydrophobicContact CD1-CG2 3.85Å; V179-V183 PolarHBondContact O-N 2.95Å; V179-V183 VanDerWaalsContact O-N 3.09Å; V180-V183 PolarHBondContact O-N 2.96Å; V183-G185 PolarHBondContact O-N 3.04Å; V183-I186 PolarHBondContact O-N 3.24Å; V183-Q187 WeakPolarHBondContact O-CG 3.35Å; V183-Q187 PolarHBondContact O-N 3.3Å; V183-Q187 VanDerWaalsContact O-N 3.1Å; V183-A220 HydrophobicContact CG2-CB 4.16Å; V183-A220 WeakPolarHBondContact CG2-O 3.36Å; V183-T223 HydrophobicContact CG1-CG2 4.16Å; V183-T223 HydrophobicContact CG2-CG2 4.16Å; V183-L230 HydrophobicContact CG1-CD1 4.13Å
184E98.5Very high96.9Very high8 Ų823.7 Ų23.74%0.03712%0.118CC..Hα-helixtrans-60.5-44.6177.5-70.6178.3163.800111.4Y157 H161 V180 K181 Q187 T188 C193Y157-E184 HydrophobicContact CE2-CB 4.3Å; Y157-E184 HydrophobicContact CE2-CG 4.13Å; Y157-E184 PolarHBondContact OH-OE2 3.44Å; H161-E184 IonicContact CE1-OE1 3.01Å; H161-E184 IonicContact CG-OE1 2.62Å; H161-E184 IonicContact ND1-OE1 3.13Å; H161-E184 PolarHBondContact ND1-OE1 3.11Å; H161-E184 IonicContact ND1-OE2 3.03Å; V180-E184 HydrophobicContact CG1-CG 4.07Å; V180-E184 WeakPolarHBondContact O-CB 3.38Å; V180-E184 VanDerWaalsContact O-CG 3.31Å; V180-E184 WeakPolarHBondContact O-CG 3.26Å; V180-E184 PolarHBondContact O-N 2.8Å; K181-E184 IonicContact NZ-OE2 3.68Å; K181-E184 PolarHBondContact NZ-OE2 3.04Å; E184-Q187 PolarHBondContact O-N 2.6Å; E184-T188 VanDerWaalsContact O-CB 3.26Å; E184-T188 WeakPolarHBondContact O-CB 3.43Å; E184-T188 WeakPolarHBondContact O-CG2 3.18Å; E184-T188 PolarHBondContact O-N 3.33Å; E184-T188 PolarHBondContact O-OG1 2.94Å; E184-C193 HydrophobicContact CB-CB 4.04Å
185G98.3Very high97Very high1 Ų122.2 Ų22.21%0.0111%0.114CC..Hα-helixtrans-62.1-45.9-178.800000112.1K181 W182 V183 Q187 L189 C193 L194K181-G185 WeakPolarHBondContact O-CA 3.26Å; K181-G185 PolarHBondContact O-N 3.02Å; W182-G185 PolarHBondContact O-N 3.19Å; V183-G185 PolarHBondContact O-N 3.04Å; G185-Q187 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 2.83Å; G185-L189 WeakPolarHBondContact O-CA 3.39Å; G185-L189 PolarHBondContact O-N 2.89Å; G185-C193 VanDerWaalsContact CA-CB 3.48Å; G185-L194 WeakPolarHBondContact O-CD2 3.4Å
186I98.4Very high96.9Very high48 Ų4823.4 Ų23.425%0.24613%0.127CC..Hα-helixtrans-62.6-41.3176.9-68.2165.6000111.1W182 V183 I221 G224 R225W182-I186 HydrophobicContact CE3-CD1 4.14Å; W182-I186 HydrophobicContact CE3-CG1 4.35Å; W182-I186 WeakPolarHBondContact O-CB 3.21Å; W182-I186 WeakPolarHBondContact O-CD1 3.41Å; W182-I186 WeakPolarHBondContact O-CG1 3.27Å; W182-I186 PolarHBondContact O-N 3.46Å; V183-I186 PolarHBondContact O-N 3.24Å; I186-I221 HydrophobicContact CD1-CB 4.41Å; I186-I221 HydrophobicContact CD1-CG1 4.25Å; I186-G224 VanDerWaalsContact CG2-C 3.44Å; I186-G224 WeakPolarHBondContact CG2-O 3.48Å; I186-R225 HydrophobicContact CG2-CG 3.93Å
187Q98.5Very high96.9Very high11 Ų1123.4 Ų23.45%0.05113%0.127CC..Hα-helixtrans-78.9-41.5-176-73.6-159.95.900113.9R86 V183 E184 G185 G224 R228 F229R86-Q187 PolarHBondContact NH1-O 2.88Å; V183-Q187 WeakPolarHBondContact O-CG 3.35Å; V183-Q187 PolarHBondContact O-N 3.3Å; V183-Q187 VanDerWaalsContact O-N 3.1Å; E184-Q187 PolarHBondContact O-N 2.6Å; G185-Q187 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 2.83Å; Q187-G224 WeakPolarHBondContact CG-O 3.34Å; Q187-R228 PolarHBondContact NE2-O 3.02Å; Q187-F229 HydrophobicContact CB-CD2 3.95Å; Q187-F229 HydrophobicContact CB-CE2 3.94Å; Q187-F229 HydrophobicContact CG-CD2 4.46Å; Q187-F229 VanDerWaalsContact O-CE2 3.26Å; Q187-F229 WeakPolarHBondContact O-CE2 3.35Å
188T98.4Very high96.9Very high7 Ų727.2 Ų27.24%0.04314%0.14CC..Hα-helixtrans-100.6-25.9-168.167.20000113.4I83 Y157 E184 L190 F229 M231I83-T188 HydrophobicContact CD1-CG2 4.2Å; Y157-T188 HydrophobicContact CD2-CG2 4.47Å; E184-T188 VanDerWaalsContact O-CB 3.26Å; E184-T188 WeakPolarHBondContact O-CB 3.43Å; E184-T188 WeakPolarHBondContact O-CG2 3.18Å; E184-T188 PolarHBondContact O-N 3.33Å; E184-T188 PolarHBondContact O-OG1 2.94Å; T188-L190 PolarHBondContact O-N 3.28Å; T188-L190 PolarHBondContact OG1-N 3.43Å; T188-F229 HydrophobicContact CG2-CE2 4.41Å; T188-M231 HydrophobicContact CG2-CG 4.41Å
189L98.2Very high96.7Very high79 Ų7931 Ų3141%0.41416%0.156SC..  trans57.816.9-171-51.4176.7000114.2A79 K82 G185A79-L189 WeakPolarHBondContact CB-O 3.44Å; K82-L189 HydrophobicContact CD-CD1 4.22Å; G185-L189 WeakPolarHBondContact O-CA 3.39Å; G185-L189 PolarHBondContact O-N 2.89Å
190L97.8Very high96.5Very high0 Ų031.5 Ų31.50%016%0.161CC..  trans-61.5129.2174.1-78.4167.3000109.3A79 L80 I83 M154 Y157 T188 M192 C193 L194A79-L190 HydrophobicContact CB-CD2 3.97Å; A79-L190 HydrophobicContact CB-CG 4.28Å; L80-L190 HydrophobicContact CD2-CD2 4.1Å; L80-L190 HydrophobicContact CG-CD2 4.24Å; I83-L190 HydrophobicContact CD1-CD1 4.27Å; I83-L190 HydrophobicContact CD1-CG 4.12Å; M154-L190 HydrophobicContact SD-CD2 4.42Å; Y157-L190 HydrophobicContact CD1-CD1 3.77Å; Y157-L190 HydrophobicContact CD2-CD1 3.79Å; Y157-L190 HydrophobicContact CE1-CD1 3.95Å; Y157-L190 HydrophobicContact CE2-CD1 3.96Å; Y157-L190 HydrophobicContact CG-CD1 3.71Å; T188-L190 PolarHBondContact O-N 3.28Å; T188-L190 PolarHBondContact OG1-N 3.43Å; L190-M192 HydrophobicContact CB-CG 4.15Å; L190-M192 PolarHBondContact O-N 2.77Å; L190-C193 HydrophobicContact CB-CB 4.28Å; L190-C193 WeakPolarHBondContact O-CB 3.42Å; L190-C193 PolarHBondContact O-N 2.81Å; L190-L194 PolarHBondContact O-N 3.46Å
191P96.3Very high96.3Very high34 Ų3432.5 Ų32.522%0.22117%0.168CC..Hα-helixtrans-56.2-39.1-178.6-28.336000113F71 C193 L194 T195F71-P191 HydrophobicContact CZ-CB 4.32Å; P191-C193 VanDerWaalsContact C-N 3.29Å; P191-C193 PolarHBondContact O-N 2.82Å; P191-L194 PolarHBondContact O-N 3.25Å; P191-T195 VanDerWaalsContact O-CB 3.32Å; P191-T195 WeakPolarHBondContact O-CB 3.27Å; P191-T195 VanDerWaalsContact O-CG2 3.32Å; P191-T195 WeakPolarHBondContact O-CG2 3.42Å; P191-T195 PolarHBondContact O-N 3.16Å; P191-T195 PolarHBondContact O-OG1 3.35Å
192M94.8Very high96.2Very high9 Ų937.3 Ų37.34%0.04419%0.194CC..Hα-helixtrans-60-34.8175.662.9175.5-8000113.5L68 F71 G72 M154 Y157 L190 G196L68-M192 HydrophobicContact CD1-CB 4.01Å; L68-M192 HydrophobicContact CD1-CE 3.98Å; L68-M192 HydrophobicContact CD2-CE 4.2Å; L68-M192 HydrophobicContact CG-CE 3.84Å; F71-M192 HydrophobicContact CD1-CB 3.81Å; F71-M192 HydrophobicContact CE1-CB 4.15Å; G72-M192 WeakPolarHBondContact CA-SD 3.4Å; M154-M192 HydrophobicContact CE-SD 3.86Å; Y157-M192 HydrophobicContact CE1-CE 3.65Å; Y157-M192 HydrophobicContact CE1-SD 3.89Å; L190-M192 HydrophobicContact CB-CG 4.15Å; L190-M192 PolarHBondContact O-N 2.77Å; M192-G196 WeakPolarHBondContact O-CA 3.48Å; M192-G196 PolarHBondContact O-N 3.46Å
193C96.6Very high95.8Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-76.6-46.1179-570000110.8Y157 E184 G185 L190 P191 G196 G197Y157-C193 PolarHBondContact OH-SG 2.81Å; E184-C193 HydrophobicContact CB-CB 4.04Å; G185-C193 VanDerWaalsContact CA-CB 3.48Å; L190-C193 HydrophobicContact CB-CB 4.28Å; L190-C193 WeakPolarHBondContact O-CB 3.42Å; L190-C193 PolarHBondContact O-N 2.81Å; P191-C193 VanDerWaalsContact C-N 3.29Å; P191-C193 PolarHBondContact O-N 2.82Å; C193-G196 PolarHBondContact O-N 2.96Å; C193-G197 PolarHBondContact O-N 2.77Å
194L96.6Very high95.5Very high78 Ų7840.6 Ų40.641%0.40821%0.207SC..Hα-helixtrans-61.1-49.5178.3-67.4173.2000111.4G185 L190 P191 Y198G185-L194 WeakPolarHBondContact O-CD2 3.4Å; L190-L194 PolarHBondContact O-N 3.46Å; P191-L194 PolarHBondContact O-N 3.25Å; L194-Y198 WeakPolarHBondContact O-CB 3.48Å; L194-Y198 PolarHBondContact O-N 3.17Å
195T94.2Very high95.3Very high48 Ų4842.4 Ų42.429%0.29422%0.224SC..Hα-helixtrans-70.5-38.2179.1570000111.7P191 Y198 F199P191-T195 VanDerWaalsContact O-CB 3.32Å; P191-T195 WeakPolarHBondContact O-CB 3.27Å; P191-T195 VanDerWaalsContact O-CG2 3.32Å; P191-T195 WeakPolarHBondContact O-CG2 3.42Å; P191-T195 PolarHBondContact O-N 3.16Å; P191-T195 PolarHBondContact O-OG1 3.35Å; T195-Y198 PolarHBondContact O-N 3Å; T195-F199 HydrophobicContact CG2-CE2 4.32Å; T195-F199 WeakPolarHBondContact O-CB 3.46Å; T195-F199 WeakPolarHBondContact O-CD2 3.17Å; T195-F199 PolarHBondContact O-N 3.34Å
196G93Very high95Very high28 Ų2847.9 Ų47.929%0.28926%0.259SS..Hα-helixtrans-62.3-44.3174.800000112.6M192 C193 G200M192-G196 WeakPolarHBondContact O-CA 3.48Å; M192-G196 PolarHBondContact O-N 3.46Å; C193-G196 PolarHBondContact O-N 2.96Å; G196-G200 VanDerWaalsContact O-CA 3.23Å; G196-G200 WeakPolarHBondContact O-CA 3.35Å; G196-G200 PolarHBondContact O-N 3.49Å
197G94.4Very high94.7Very high1 Ų151.3 Ų51.31%0.0127%0.272CS..Hα-helixtrans-61.8-50.3173.700000111.4W182 C193 S201W182-G197 PolarHBondContact NE1-O 3.13Å; C193-G197 PolarHBondContact O-N 2.77Å; G197-S201 WeakPolarHBondContact O-CB 3.45Å; G197-S201 PolarHBondContact O-N 3.48Å; G197-S201 PolarHBondContact O-OG 2.87Å
198Y95Very high94.4Very high130 Ų13051.9 Ų51.951%0.5128%0.275SS..Hα-helixtrans-66.7-58.7-177.7-179.5-102.9000113.5L194 T195 G200 S201 L202L194-Y198 WeakPolarHBondContact O-CB 3.48Å; L194-Y198 PolarHBondContact O-N 3.17Å; T195-Y198 PolarHBondContact O-N 3Å; Y198-G200 VanDerWaalsContact C-N 3.32Å; Y198-G200 PolarHBondContact O-N 2.94Å; Y198-S201 WeakPolarHBondContact O-CB 3.27Å; Y198-S201 PolarHBondContact O-N 3.22Å; Y198-L202 HydrophobicContact CE1-CD1 4.03Å; Y198-L202 PolarHBondContact O-N 3.28Å
199F93.2Very high94.3Very high84 Ų8454.1 Ų54.137%0.36829%0.289SS..Hα-helixtrans-71.8-28-177.8-69.5-68.1000112.4L59 T195 L202L59-F199 HydrophobicContact CD2-CB 4Å; L59-F199 HydrophobicContact CD2-CD2 4.16Å; L59-F199 HydrophobicContact CD2-CG 4.07Å; T195-F199 HydrophobicContact CG2-CE2 4.32Å; T195-F199 WeakPolarHBondContact O-CB 3.46Å; T195-F199 WeakPolarHBondContact O-CD2 3.17Å; T195-F199 PolarHBondContact O-N 3.34Å; F199-L202 HydrophobicContact CD1-CD1 4.12Å; F199-L202 PolarHBondContact O-N 3.24Å
200G92.8Very high94Very high10 Ų1056 Ų5610%0.10330%0.295CS..Hα-helixtrans-64.5-42.7171.200000111.6G196 Y198 L202 R203G196-G200 VanDerWaalsContact O-CA 3.23Å; G196-G200 WeakPolarHBondContact O-CA 3.35Å; G196-G200 PolarHBondContact O-N 3.49Å; Y198-G200 VanDerWaalsContact C-N 3.32Å; Y198-G200 PolarHBondContact O-N 2.94Å; G200-L202 PolarHBondContact O-N 3.48Å; G200-R203 PolarHBondContact O-N 2.69Å
201S93.9Very high93.7Very high20 Ų2057 Ų5714%0.1430%0.302CS..Hα-helixtrans-57.2-35.5175.1-66.40000112.7V178 W182 G197 Y198 R203 L204 F212V178-S201 WeakPolarHBondContact CG1-OG 3.47Å; W182-S201 PolarHBondContact NE1-OG 3.49Å; G197-S201 WeakPolarHBondContact O-CB 3.45Å; G197-S201 PolarHBondContact O-N 3.48Å; G197-S201 PolarHBondContact O-OG 2.87Å; Y198-S201 WeakPolarHBondContact O-CB 3.27Å; Y198-S201 PolarHBondContact O-N 3.22Å; S201-R203 PolarHBondContact O-N 3.39Å; S201-L204 PolarHBondContact O-N 3.26Å; S201-F212 VanDerWaalsContact OG-CE1 3.29Å; S201-F212 WeakPolarHBondContact OG-CE1 3.34Å; S201-F212 WeakPolarHBondContact OG-CZ 3.46Å
202L94.2Very high93.7Very high119 Ų11956 Ų5662%0.62329%0.294SS*.THydrogen-bonded Turntrans-70.9-15.2178.1-59.9179.9000113.7Y198 F199 G200Y198-L202 HydrophobicContact CE1-CD1 4.03Å; Y198-L202 PolarHBondContact O-N 3.28Å; F199-L202 HydrophobicContact CD1-CD1 4.12Å; F199-L202 PolarHBondContact O-N 3.24Å; G200-L202 PolarHBondContact O-N 3.48Å
203R91.1Very high93.7Very high122 Ų12260.4 Ų60.446%0.4632%0.322SS..THydrogen-bonded Turntrans-103.44.1-177.9-67.3178.7177.4-164.5-3.7113.5L59 G200 S201L59-R203 PolarHBondContact O-NH1 3.09Å; L59-R203 PolarHBondContact O-NH2 3.16Å; G200-R203 PolarHBondContact O-N 2.69Å; S201-R203 PolarHBondContact O-N 3.39Å
204L92.3Very high93.5Very high15 Ų1568.5 Ų68.58%0.07935%0.352CS..  trans-66.7137.1178.4-67.2175.1000110.7M174 L175 V178 S201 Q208 T209 F212M174-L204 HydrophobicContact CB-CD2 4.21Å; M174-L204 HydrophobicContact CG-CD2 3.74Å; L175-L204 HydrophobicContact CB-CD2 4.15Å; L175-L204 HydrophobicContact CD1-CD1 4.15Å; L175-L204 HydrophobicContact CD1-CD2 4.38Å; V178-L204 HydrophobicContact CG2-CD2 4.26Å; S201-L204 PolarHBondContact O-N 3.26Å; L204-Q208 HydrophobicContact CB-CB 3.96Å; L204-Q208 HydrophobicContact CD2-CB 4.04Å; L204-Q208 HydrophobicContact CG-CB 4.46Å; L204-T209 WeakPolarHBondContact CB-OG1 3.31Å; L204-T209 PolarHBondContact O-OG1 2.84Å; L204-F212 HydrophobicContact CD1-CB 3.72Å; L204-F212 HydrophobicContact CD1-CD1 3.9Å; L204-F212 HydrophobicContact CD1-CD2 4.24Å; L204-F212 HydrophobicContact CD1-CG 3.69Å
205A92.9Very high93.3Very high47 Ų4766.3 Ų66.339%0.38834%0.344SS..  trans-64.6156.6171.600000110.4K207 Q208 T209A205-K207 PolarHBondContact O-N 3.4Å; A205-K207 VanDerWaalsContact O-N 3.16Å; A205-Q208 HydrophobicContact CB-CG 4.39Å; A205-Q208 VanDerWaalsContact N-OE1 3.12Å; A205-Q208 CarbonylContact O-C 3.54Å; A205-Q208 WeakPolarHBondContact O-CA 3.31Å; A205-Q208 VanDerWaalsContact O-CB 3.3Å; A205-Q208 WeakPolarHBondContact O-CB 3.42Å; A205-Q208 PolarHBondContact O-N 3.2Å; A205-T209 PolarHBondContact O-N 3.14Å; A205-T209 PolarHBondContact O-OG1 3.09Å
206P93.5Very high93.3Very high115 Ų11564.8 Ų64.875%0.74733%0.333SS*.Hα-helixtrans-50-47.8-173.2-30.635.9000115.2Q208 T209 E210P206-Q208 VanDerWaalsContact C-N 3.32Å; P206-Q208 PolarHBondContact O-N 3.38Å; P206-T209 WeakPolarHBondContact O-CB 3.42Å; P206-T209 PolarHBondContact O-N 3.27Å; P206-E210 PolarHBondContact O-N 2.85Å
207K91.3Very high93.5Very high121 Ų12165.7 Ų65.753%0.52633%0.331SS..Hα-helixtrans-63-35.6175.9-69-166179.9-167.70112.8A205 C211 D262A205-K207 PolarHBondContact O-N 3.4Å; A205-K207 VanDerWaalsContact O-N 3.16Å; K207-C211 PolarHBondContact O-N 2.86Å; K207-C211 PolarHBondContact O-SG 2.87Å; K207-D262 PolarHBondContact NZ-O 3.09Å
208Q92.8Very high93.5Very high23 Ų2372 Ų7211%0.10736%0.36CS..Hα-helixtrans-69.6-40.7176.4-67.3178.7-61.600111.1L175 L204 A205 P206 E210 C211 F212 R259L175-Q208 HydrophobicContact CB-CB 4.41Å; L175-Q208 HydrophobicContact CB-CG 4.4Å; L204-Q208 HydrophobicContact CB-CB 3.96Å; L204-Q208 HydrophobicContact CD2-CB 4.04Å; L204-Q208 HydrophobicContact CG-CB 4.46Å; A205-Q208 HydrophobicContact CB-CG 4.39Å; A205-Q208 VanDerWaalsContact N-OE1 3.12Å; A205-Q208 CarbonylContact O-C 3.54Å; A205-Q208 WeakPolarHBondContact O-CA 3.31Å; A205-Q208 VanDerWaalsContact O-CB 3.3Å; A205-Q208 WeakPolarHBondContact O-CB 3.42Å; A205-Q208 PolarHBondContact O-N 3.2Å; P206-Q208 VanDerWaalsContact C-N 3.32Å; P206-Q208 PolarHBondContact O-N 3.38Å; Q208-E210 VanDerWaalsContact C-N 3.34Å; Q208-E210 PolarHBondContact O-N 3.21Å; Q208-C211 PolarHBondContact O-N 3.36Å; Q208-F212 VanDerWaalsContact O-CB 3.23Å; Q208-F212 WeakPolarHBondContact O-CB 3.06Å; Q208-F212 PolarHBondContact O-N 3.5Å; Q208-R259 VanDerWaalsContact NE2-NH2 3.11Å
209T94.6Very high93.6Very high54 Ų5466.5 Ų66.533%0.33134%0.339SS..Hα-helixtrans-60.9-43.1176.1-55.90000111.2L204 A205 P206 F212 V213L204-T209 WeakPolarHBondContact CB-OG1 3.31Å; L204-T209 PolarHBondContact O-OG1 2.84Å; A205-T209 PolarHBondContact O-N 3.14Å; A205-T209 PolarHBondContact O-OG1 3.09Å; P206-T209 WeakPolarHBondContact O-CB 3.42Å; P206-T209 PolarHBondContact O-N 3.27Å; T209-F212 WeakPolarHBondContact O-CB 3.47Å; T209-F212 PolarHBondContact O-N 3.19Å; T209-V213 HydrophobicContact CG2-CG2 4.43Å; T209-V213 WeakPolarHBondContact O-CG2 3.4Å; T209-V213 PolarHBondContact O-N 2.95Å
210E93.4Very high93.8Very high117 Ų11762.5 Ų62.555%0.54732%0.321SS..Hα-helixtrans-60.1-50174.9-170.6-168.8153.300111.6P206 Q208 F212 V213 R214P206-E210 PolarHBondContact O-N 2.85Å; Q208-E210 VanDerWaalsContact C-N 3.34Å; Q208-E210 PolarHBondContact O-N 3.21Å; E210-F212 VanDerWaalsContact C-N 3.28Å; E210-F212 PolarHBondContact O-N 2.93Å; E210-V213 PolarHBondContact O-N 3.38Å; E210-R214 WeakPolarHBondContact O-CB 3.34Å; E210-R214 PolarHBondContact O-N 3.25Å; E210-R214 IonicContact OE1-NH1 3.03Å
211C91.8Very high94.1Very high22 Ų2264.9 Ų64.915%0.14933%0.331CS..Hα-helixtrans-60.3-40.5177.4-67.70000112.1L175 K207 Q208 S215 H216L175-C211 HydrophobicContact CD2-CB 3.89Å; K207-C211 PolarHBondContact O-N 2.86Å; K207-C211 PolarHBondContact O-SG 2.87Å; Q208-C211 PolarHBondContact O-N 3.36Å; C211-S215 PolarHBondContact O-N 3.04Å; C211-S215 VanDerWaalsContact O-N 3.15Å; C211-S215 PolarHBondContact O-OG 2.86Å; C211-H216 PolarHBondContact O-N 3.15Å; C211-H216 PolarHBondContact O-ND1 3.39Å
212F94.7Very high94.2Very high13 Ų1368.9 Ų68.96%0.05734%0.343CS..Iπ-helixtrans-59.6-56.2178.4-178.9-117.2000111.2L175 V178 W182 S201 L204 Q208 T209 E210 R214 H216 L217L175-F212 HydrophobicContact CD1-CB 3.65Å; L175-F212 HydrophobicContact CD1-CD2 3.8Å; L175-F212 HydrophobicContact CD1-CG 4.12Å; V178-F212 HydrophobicContact CG1-CD2 4.16Å; V178-F212 HydrophobicContact CG1-CE2 3.57Å; V178-F212 HydrophobicContact CG1-CZ 3.9Å; W182-F212 AromaticContact CD1-CZ 3.95Å; W182-F212 AromaticContact NE1-CZ 3.66Å; S201-F212 VanDerWaalsContact OG-CE1 3.29Å; S201-F212 WeakPolarHBondContact OG-CE1 3.34Å; S201-F212 WeakPolarHBondContact OG-CZ 3.46Å; L204-F212 HydrophobicContact CD1-CB 3.72Å; L204-F212 HydrophobicContact CD1-CD1 3.9Å; L204-F212 HydrophobicContact CD1-CD2 4.24Å; L204-F212 HydrophobicContact CD1-CG 3.69Å; Q208-F212 VanDerWaalsContact O-CB 3.23Å; Q208-F212 WeakPolarHBondContact O-CB 3.06Å; Q208-F212 PolarHBondContact O-N 3.5Å; T209-F212 WeakPolarHBondContact O-CB 3.47Å; T209-F212 PolarHBondContact O-N 3.19Å; E210-F212 VanDerWaalsContact C-N 3.28Å; E210-F212 PolarHBondContact O-N 2.93Å; F212-R214 PolarHBondContact O-N 3.27Å; F212-H216 HydrophobicContact CD2-CB 4.35Å; F212-H216 PolarHBondContact O-N 3.4Å; F212-L217 HydrophobicContact CD1-CB 4.5Å; F212-L217 HydrophobicContact CD2-CB 4.22Å; F212-L217 HydrophobicContact CE1-CB 4.22Å; F212-L217 HydrophobicContact CE1-CD1 4.28Å; F212-L217 HydrophobicContact CE1-CD2 4.21Å; F212-L217 HydrophobicContact CE1-CG 4.47Å; F212-L217 HydrophobicContact CE2-CB 3.92Å; F212-L217 HydrophobicContact CE2-CD1 4.15Å; F212-L217 HydrophobicContact CZ-CB 3.94Å; F212-L217 HydrophobicContact CZ-CD1 3.64Å; F212-L217 HydrophobicContact CZ-CD2 4.38Å; F212-L217 HydrophobicContact CZ-CG 4.18Å; F212-L217 VanDerWaalsContact O-CB 3.32Å; F212-L217 WeakPolarHBondContact O-CB 3.37Å; F212-L217 PolarHBondContact O-N 2.82Å
213V94.5Very high94.4Very high102 Ų10263.2 Ų63.262%0.61831%0.313SS*.Iπ-helixtrans-64.6-40-179173.90000111.3T209 E210T209-V213 HydrophobicContact CG2-CG2 4.43Å; T209-V213 WeakPolarHBondContact O-CG2 3.4Å; T209-V213 PolarHBondContact O-N 2.95Å; E210-V213 PolarHBondContact O-N 3.38Å
214R93.2Very high94.7Very high169 Ų16957.7 Ų57.764%0.63829%0.294SS*.Iπ-helixtrans-71.5-31.4-174.6-170.9178.272.1-175.70.8114.3E210 F212E210-R214 WeakPolarHBondContact O-CB 3.34Å; E210-R214 PolarHBondContact O-N 3.25Å; E210-R214 IonicContact OE1-NH1 3.03Å; F212-R214 PolarHBondContact O-N 3.27Å
215S92.5Very high95Very high33 Ų3366.3 Ų66.323%0.23133%0.326CS..Iπ-helixtrans-150.9-41.7-167.854.20000115.1C211 Y219C211-S215 PolarHBondContact O-N 3.04Å; C211-S215 VanDerWaalsContact O-N 3.15Å; C211-S215 PolarHBondContact O-OG 2.86Å; S215-Y219 WeakPolarHBondContact O-CB 3.26Å; S215-Y219 PolarHBondContact O-N 3.45Å
216H95Very high95.2Very high15 Ų1568.3 Ų68.37%0.06933%0.327CS..Iπ-helixtrans-80.5-30-169.2-65.853.9000112.9L175 V179 C211 F212 A220L175-H216 HydrophobicContact CD1-CB 4.45Å; V179-H216 HydrophobicContact CG2-CB 3.57Å; C211-H216 PolarHBondContact O-N 3.15Å; C211-H216 PolarHBondContact O-ND1 3.39Å; F212-H216 HydrophobicContact CD2-CB 4.35Å; F212-H216 PolarHBondContact O-N 3.4Å; H216-A220 VanDerWaalsContact O-CB 3.27Å; H216-A220 WeakPolarHBondContact O-CB 3.43Å; H216-A220 PolarHBondContact O-N 3.36Å
217L95.4Very high95.4Very high47 Ų4763.1 Ų63.125%0.24629%0.294CS..Hα-helixtrans-66-47.6176176.358.2000111.2W182 F212 Y219 A220 I221W182-L217 HydrophobicContact CD2-CD1 4.42Å; F212-L217 HydrophobicContact CD1-CB 4.5Å; F212-L217 HydrophobicContact CD2-CB 4.22Å; F212-L217 HydrophobicContact CE1-CB 4.22Å; F212-L217 HydrophobicContact CE1-CD1 4.28Å; F212-L217 HydrophobicContact CE1-CD2 4.21Å; F212-L217 HydrophobicContact CE1-CG 4.47Å; F212-L217 HydrophobicContact CE2-CB 3.92Å; F212-L217 HydrophobicContact CE2-CD1 4.15Å; F212-L217 HydrophobicContact CZ-CB 3.94Å; F212-L217 HydrophobicContact CZ-CD1 3.64Å; F212-L217 HydrophobicContact CZ-CD2 4.38Å; F212-L217 HydrophobicContact CZ-CG 4.18Å; F212-L217 VanDerWaalsContact O-CB 3.32Å; F212-L217 WeakPolarHBondContact O-CB 3.37Å; F212-L217 PolarHBondContact O-N 2.82Å; L217-Y219 VanDerWaalsContact C-N 3.34Å; L217-Y219 PolarHBondContact O-N 3.49Å; L217-A220 PolarHBondContact O-N 2.98Å; L217-I221 HydrophobicContact CD1-CD1 3.64Å; L217-I221 HydrophobicContact CD1-CG1 3.97Å; L217-I221 HydrophobicContact CG-CD1 3.88Å; L217-I221 WeakPolarHBondContact O-CB 3.41Å; L217-I221 WeakPolarHBondContact O-CG1 3.44Å; L217-I221 PolarHBondContact O-N 3.4Å
218E95.8Very high95.7Very high134 Ų13461.8 Ų61.863%0.62629%0.285SS*.Hα-helixtrans-59.9-46.9175.6-175.9-177.6169.400110.7A220 I221 R222E218-A220 VanDerWaalsContact C-N 3.34Å; E218-A220 PolarHBondContact O-N 3.26Å; E218-I221 PolarHBondContact O-N 2.99Å; E218-R222 VanDerWaalsContact O-CB 3.24Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 PolarHBondContact O-N 3.34Å
219Y97.1Very high96Very high14 Ų1461.1 Ų61.16%0.05528%0.282CS..Hα-helixtrans-55.2-47.9174.8173.9-100.3000112.2L168 V179 S215 L217 T223 Q253 P256L168-Y219 PolarHBondContact O-OH 2.69Å; V179-Y219 HydrophobicContact CG1-CD1 4.08Å; V179-Y219 HydrophobicContact CG1-CE1 4.32Å; S215-Y219 WeakPolarHBondContact O-CB 3.26Å; S215-Y219 PolarHBondContact O-N 3.45Å; L217-Y219 VanDerWaalsContact C-N 3.34Å; L217-Y219 PolarHBondContact O-N 3.49Å; Y219-T223 WeakPolarHBondContact O-CB 3.46Å; Y219-T223 PolarHBondContact O-N 3.46Å; Y219-T223 PolarHBondContact O-OG1 3.49Å; Y219-Q253 HydrophobicContact CE2-CB 4.22Å; Y219-Q253 WeakPolarHBondContact CE2-O 3.42Å; Y219-Q253 PolarHBondContact OH-O 3.33Å; Y219-P256 HydrophobicContact CD1-CG 4.38Å; Y219-P256 HydrophobicContact CG-CG 4.27Å
220A97.5Very high96.2Very high0 Ų058.9 Ų58.90%027%0.268CS..Hα-helixtrans-64.6-44.5-179.400000111.9V179 W182 V183 H216 L217 E218 G224V179-A220 HydrophobicContact CG1-CB 4.07Å; W182-A220 HydrophobicContact CB-CB 3.71Å; V183-A220 HydrophobicContact CG2-CB 4.16Å; V183-A220 WeakPolarHBondContact CG2-O 3.36Å; H216-A220 VanDerWaalsContact O-CB 3.27Å; H216-A220 WeakPolarHBondContact O-CB 3.43Å; H216-A220 PolarHBondContact O-N 3.36Å; L217-A220 PolarHBondContact O-N 2.98Å; E218-A220 VanDerWaalsContact C-N 3.34Å; E218-A220 PolarHBondContact O-N 3.26Å; A220-G224 PolarHBondContact O-N 3.24Å
221I97.5Very high96.4Very high61 Ų6153.4 Ų53.431%0.31324%0.243SC..Hα-helixtrans-64.2-48.4178.7-69.9171.3000110.4I186 L217 E218 G224 R225I186-I221 HydrophobicContact CD1-CB 4.41Å; I186-I221 HydrophobicContact CD1-CG1 4.25Å; L217-I221 HydrophobicContact CD1-CD1 3.64Å; L217-I221 HydrophobicContact CD1-CG1 3.97Å; L217-I221 HydrophobicContact CG-CD1 3.88Å; L217-I221 WeakPolarHBondContact O-CB 3.41Å; L217-I221 WeakPolarHBondContact O-CG1 3.44Å; L217-I221 PolarHBondContact O-N 3.4Å; E218-I221 PolarHBondContact O-N 2.99Å; I221-G224 PolarHBondContact O-N 3.41Å; I221-R225 WeakPolarHBondContact O-CB 3.38Å; I221-R225 VanDerWaalsContact O-CG 3.29Å; I221-R225 WeakPolarHBondContact O-CG 3.45Å; I221-R225 PolarHBondContact O-N 3.01Å
222R97.3Very high96.8Very high103 Ų10352.4 Ų52.439%0.38924%0.236SC..Hα-helixtrans-64-48.8-178.2-169.7166.7175.7-161.8-5.3110.8E218 G224 R225 E226 Q253E218-R222 VanDerWaalsContact O-CB 3.24Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 PolarHBondContact O-N 3.34Å; R222-G224 PolarHBondContact O-N 3.5Å; R222-R225 PolarHBondContact O-N 3.15Å; R222-E226 VanDerWaalsContact CG-CD 3.42Å; R222-E226 HydrophobicContact CG-CG 4.22Å; R222-E226 VanDerWaalsContact CG-OE2 3.24Å; R222-E226 WeakPolarHBondContact CG-OE2 3.45Å; R222-E226 IonicContact CZ-OE2 2.64Å; R222-E226 IonicContact NE-OE1 2.69Å; R222-E226 IonicContact NE-OE2 3.63Å; R222-E226 PolarHBondContact NE-OE2 3.26Å; R222-E226 IonicContact NH2-OE2 3.76Å; R222-E226 VanDerWaalsContact O-CB 3.27Å; R222-E226 WeakPolarHBondContact O-CB 3.35Å; R222-E226 WeakPolarHBondContact O-CG 3.36Å; R222-E226 PolarHBondContact O-N 2.75Å; R222-Q253 VanDerWaalsContact NH1-OE1 3.11Å
223T97.9Very high96.9Very high1 Ų151.9 Ų51.91%0.00623%0.234CC..Hα-helixtrans-60.5-45.3175.6-57.60000111.6L168 V183 Y219 R225 A227 I252L168-T223 HydrophobicContact CD2-CG2 3.7Å; V183-T223 HydrophobicContact CG1-CG2 4.16Å; V183-T223 HydrophobicContact CG2-CG2 4.16Å; Y219-T223 WeakPolarHBondContact O-CB 3.46Å; Y219-T223 PolarHBondContact O-N 3.46Å; Y219-T223 PolarHBondContact O-OG1 3.49Å; T223-R225 VanDerWaalsContact C-N 3.26Å; T223-R225 PolarHBondContact O-N 3.34Å; T223-A227 HydrophobicContact CG2-CB 4.02Å; T223-A227 WeakPolarHBondContact O-CB 3.17Å; T223-A227 PolarHBondContact O-N 3Å; T223-I252 HydrophobicContact CG2-CG1 4.19Å; T223-I252 HydrophobicContact CG2-CG2 4.13Å
224G97.9Very high97.1Very high5 Ų548.1 Ų48.15%0.05221%0.209CC..Hα-helixtrans-59.1-35.3178.100000113.4I186 Q187 A220 I221 R222I186-G224 VanDerWaalsContact CG2-C 3.44Å; I186-G224 WeakPolarHBondContact CG2-O 3.48Å; Q187-G224 WeakPolarHBondContact CG-O 3.34Å; A220-G224 PolarHBondContact O-N 3.24Å; I221-G224 PolarHBondContact O-N 3.41Å; R222-G224 PolarHBondContact O-N 3.5Å
225R97.8Very high97.4Very high197 Ų19740 Ų4074%0.74318%0.178SC*.Hα-helixtrans-87.9-39.4-178.2-68.2178.772.9173.32.8113.7I186 I221 R222 T223I186-R225 HydrophobicContact CG2-CG 3.93Å; I221-R225 WeakPolarHBondContact O-CB 3.38Å; I221-R225 VanDerWaalsContact O-CG 3.29Å; I221-R225 WeakPolarHBondContact O-CG 3.45Å; I221-R225 PolarHBondContact O-N 3.01Å; R222-R225 PolarHBondContact O-N 3.15Å; T223-R225 VanDerWaalsContact C-N 3.26Å; T223-R225 PolarHBondContact O-N 3.34Å
226E97.8Very high97.6Very high88 Ų8840.1 Ų40.141%0.41118%0.175SC..Hα-helixtrans-100.3-26.6-167.5-62.2-179-178.500113.1R222 N251R222-E226 VanDerWaalsContact CG-CD 3.42Å; R222-E226 HydrophobicContact CG-CG 4.22Å; R222-E226 VanDerWaalsContact CG-OE2 3.24Å; R222-E226 WeakPolarHBondContact CG-OE2 3.45Å; R222-E226 IonicContact CZ-OE2 2.64Å; R222-E226 IonicContact NE-OE1 2.69Å; R222-E226 IonicContact NE-OE2 3.63Å; R222-E226 PolarHBondContact NE-OE2 3.26Å; R222-E226 IonicContact NH2-OE2 3.76Å; R222-E226 VanDerWaalsContact O-CB 3.27Å; R222-E226 WeakPolarHBondContact O-CB 3.35Å; R222-E226 WeakPolarHBondContact O-CG 3.36Å; R222-E226 PolarHBondContact O-N 2.75Å; E226-N251 PolarHBondContact O-ND2 3.43Å
227A98.1Very high97.7Very high7 Ų744.1 Ų44.16%0.05819%0.194CC..SBendtrans-67.2155.7-179.800000111.6T223 L250 I252T223-A227 HydrophobicContact CG2-CB 4.02Å; T223-A227 WeakPolarHBondContact O-CB 3.17Å; T223-A227 PolarHBondContact O-N 3Å; A227-L250 CarbonylContact C-O 3.5Å; A227-L250 VanDerWaalsContact CA-O 3.27Å; A227-L250 WeakPolarHBondContact CA-O 3.29Å; A227-I252 HydrophobicContact CB-CD1 4.41Å; A227-I252 HydrophobicContact CB-CG1 3.63Å
228R97.6Very high97.9Very high92 Ų9243.8 Ų43.835%0.34719%0.191SC..  trans-54.7145.7168-164.3172-169.5-179.4-0109.1H90 D92 Q187 L230 L250H90-R228 PolarHBondContact CE1-NH2 3.47Å; H90-R228 PolarHBondContact NE2-NE 2.02Å; H90-R228 VanDerWaalsContact NE2-NE 3.18Å; H90-R228 PolarHBondContact NE2-NH2 2.74Å; D92-R228 IonicContact OD2-CZ 2.6Å; D92-R228 IonicContact OD2-NH1 2.81Å; D92-R228 IonicContact OD2-NH2 3.35Å; D92-R228 PolarHBondContact OD2-NH2 3.25Å; Q187-R228 PolarHBondContact NE2-O 3.02Å; R228-L230 PolarHBondContact O-N 3.09Å; R228-L250 HydrophobicContact CB-CB 4.44Å; R228-L250 HydrophobicContact CB-CD2 3.97Å; R228-L250 HydrophobicContact CG-CD2 4.41Å; R228-L250 PolarHBondContact N-O 3.29Å
229F98.5Very high98Very high9 Ų939.2 Ų39.24%0.03917%0.168CC..  trans-63.5112.3179.5-174.6-135.2000109.9I83 R86 M87 Q187 T188 M231 C232I83-F229 HydrophobicContact CB-CZ 4.3Å; I83-F229 HydrophobicContact CG1-CZ 4.14Å; I83-F229 HydrophobicContact CG2-CE1 4.09Å; I83-F229 HydrophobicContact CG2-CZ 3.84Å; R86-F229 HydrophobicContact CB-CD1 4.34Å; R86-F229 HydrophobicContact CB-CE1 3.97Å; R86-F229 HydrophobicContact CG-CD1 3.7Å; R86-F229 HydrophobicContact CG-CE1 3.82Å; R86-F229 HydrophobicContact CG-CG 4.39Å; M87-F229 HydrophobicContact CG-CE1 4.23Å; Q187-F229 HydrophobicContact CB-CD2 3.95Å; Q187-F229 HydrophobicContact CB-CE2 3.94Å; Q187-F229 HydrophobicContact CG-CD2 4.46Å; Q187-F229 VanDerWaalsContact O-CE2 3.26Å; Q187-F229 WeakPolarHBondContact O-CE2 3.35Å; T188-F229 HydrophobicContact CG2-CE2 4.41Å; F229-M231 VanDerWaalsContact C-N 3.25Å; F229-M231 HydrophobicContact CD1-CB 4.05Å; F229-M231 HydrophobicContact CE1-CB 3.59Å; F229-M231 HydrophobicContact CE1-CG 4.08Å; F229-M231 HydrophobicContact CE2-CB 4.32Å; F229-M231 HydrophobicContact CE2-CG 4.08Å; F229-M231 HydrophobicContact CZ-CB 3.74Å; F229-M231 HydrophobicContact CZ-CG 3.67Å; F229-M231 PolarHBondContact O-N 3.45Å; F229-C232 HydrophobicContact CD1-CB 4.35Å; F229-C232 WeakPolarHBondContact O-CA 3.25Å; F229-C232 VanDerWaalsContact O-CB 3.32Å; F229-C232 WeakPolarHBondContact O-CB 3.01Å; F229-C232 PolarHBondContact O-N 2.89Å
230L98.6Very high98.1Very high7 Ų745.7 Ų45.74%0.03720%0.199CC..G310 helixtrans-65.8-27.6-166.2-63.8179.4000113V164 L167 V183 R228 C232 V233 I252V164-L230 HydrophobicContact CG1-CD1 3.98Å; V164-L230 HydrophobicContact CG2-CD1 4Å; L167-L230 HydrophobicContact CD2-CD2 3.83Å; V183-L230 HydrophobicContact CG1-CD1 4.13Å; R228-L230 PolarHBondContact O-N 3.09Å; L230-C232 PolarHBondContact O-N 2.83Å; L230-V233 HydrophobicContact CD2-CG2 4.23Å; L230-V233 WeakPolarHBondContact O-CB 3.38Å; L230-V233 PolarHBondContact O-N 3.06Å; L230-V233 VanDerWaalsContact O-N 3.1Å; L230-I252 HydrophobicContact CD2-CD1 4.12Å
231M98.6Very high98.1Very high3 Ų348.9 Ų48.92%0.01522%0.215CC..G310 helixtrans-62.3-24171.7-64.3-61.4-62.300113.1I83 M87 V153 R156 Y157 I160 T188 F229I83-M231 HydrophobicContact CG2-CB 4.22Å; I83-M231 HydrophobicContact CG2-CE 4.18Å; I83-M231 HydrophobicContact CG2-CG 3.91Å; M87-M231 HydrophobicContact CG-CB 4.33Å; M87-M231 HydrophobicContact SD-CB 4.12Å; M87-M231 HydrophobicContact SD-CE 4.36Å; V153-M231 HydrophobicContact CG1-CE 4.25Å; V153-M231 WeakPolarHBondContact O-CE 3.44Å; R156-M231 HydrophobicContact CB-CE 3.91Å; R156-M231 HydrophobicContact CG-CE 3.86Å; R156-M231 PolarHBondContact NE-O 3.27Å; R156-M231 VanDerWaalsContact NE-O 3.17Å; Y157-M231 HydrophobicContact CD2-SD 4.47Å; I160-M231 HydrophobicContact CD1-SD 3.76Å; I160-M231 HydrophobicContact CG1-SD 4.47Å; T188-M231 HydrophobicContact CG2-CG 4.41Å; F229-M231 VanDerWaalsContact C-N 3.25Å; F229-M231 HydrophobicContact CD1-CB 4.05Å; F229-M231 HydrophobicContact CE1-CB 3.59Å; F229-M231 HydrophobicContact CE1-CG 4.08Å; F229-M231 HydrophobicContact CE2-CB 4.32Å; F229-M231 HydrophobicContact CE2-CG 4.08Å; F229-M231 HydrophobicContact CZ-CB 3.74Å; F229-M231 HydrophobicContact CZ-CG 3.67Å; F229-M231 PolarHBondContact O-N 3.45Å
232C98.5Very high98.2Very high1 Ų149.3 Ų49.31%0.00722%0.218CC..G310 helixtrans-95.45.2177.5-72.80000113.8H90 D92 F229 L230H90-C232 HydrophobicContact CB-CB 4.4Å; H90-C232 WeakPolarHBondContact ND1-CB 3.07Å; D92-C232 WeakPolarHBondContact CB-O 2.98Å; F229-C232 HydrophobicContact CD1-CB 4.35Å; F229-C232 WeakPolarHBondContact O-CA 3.25Å; F229-C232 VanDerWaalsContact O-CB 3.32Å; F229-C232 WeakPolarHBondContact O-CB 3.01Å; F229-C232 PolarHBondContact O-N 2.89Å; L230-C232 PolarHBondContact O-N 2.83Å
233V98.5Very high98.2Very high2 Ų245.3 Ų45.31%0.01221%0.205CC..  trans-84.8123.9172.3178.90000107.8R156 L230 F235 L250R156-V233 PolarHBondContact NH2-O 3.41Å; L230-V233 HydrophobicContact CD2-CG2 4.23Å; L230-V233 WeakPolarHBondContact O-CB 3.38Å; L230-V233 PolarHBondContact O-N 3.06Å; L230-V233 VanDerWaalsContact O-N 3.1Å; V233-F235 HydrophobicContact CB-CD2 4.16Å; V233-F235 HydrophobicContact CB-CE1 4.46Å; V233-F235 HydrophobicContact CB-CE2 3.83Å; V233-F235 HydrophobicContact CB-CZ 4.01Å; V233-F235 HydrophobicContact CG1-CD1 3.94Å; V233-F235 HydrophobicContact CG1-CD2 4.13Å; V233-F235 HydrophobicContact CG1-CE1 3.9Å; V233-F235 HydrophobicContact CG1-CE2 4.06Å; V233-F235 HydrophobicContact CG1-CG 4.07Å; V233-F235 HydrophobicContact CG1-CZ 3.96Å; V233-F235 WeakPolarHBondContact O-CD2 3.41Å; V233-F235 PolarHBondContact O-N 3Å; V233-F235 VanDerWaalsContact O-N 3.08Å; V233-L250 HydrophobicContact CG1-CD1 4.08Å; V233-L250 HydrophobicContact CG1-CD2 4.32Å; V233-L250 HydrophobicContact CG2-CD1 4.03Å; V233-L250 HydrophobicContact CG2-CD2 3.61Å; V233-L250 HydrophobicContact CG2-CG 4.46Å
234Y98.2Very high98.2Very high22 Ų2249.1 Ų49.19%0.08622%0.222CC..  trans-85.668.9178.4-148.4-42.3000108.8R95 I96 D99 P101 E236 E237 H238R95-Y234 HydrophobicContact CB-CD2 4.28Å; R95-Y234 HydrophobicContact CB-CE2 3.96Å; I96-Y234 HydrophobicContact CD1-CD2 4.33Å; I96-Y234 HydrophobicContact CD1-CG 4.31Å; I96-Y234 HydrophobicContact CG1-CD1 4.44Å; I96-Y234 HydrophobicContact CG1-CD2 3.63Å; I96-Y234 HydrophobicContact CG1-CE2 3.96Å; I96-Y234 HydrophobicContact CG1-CG 3.9Å; D99-Y234 WeakPolarHBondContact CB-OH 3.38Å; D99-Y234 PolarHBondContact OD2-OH 3.47Å; P101-Y234 HydrophobicContact CB-CE1 4.14Å; P101-Y234 HydrophobicContact CG-CE1 3.7Å; Y234-E236 HydrophobicContact CD1-CB 4.01Å; Y234-E236 WeakPolarHBondContact CD1-OE2 3.44Å; Y234-E236 HydrophobicContact CE1-CB 4.02Å; Y234-E236 HydrophobicContact CE1-CG 4.45Å; Y234-E236 PolarHBondContact O-N 3.2Å; Y234-E237 HydrophobicContact CD1-CG 3.77Å; Y234-E237 HydrophobicContact CE1-CG 4.25Å; Y234-E237 HydrophobicContact CG-CG 4.01Å; Y234-E237 WeakPolarHBondContact O-CB 3.49Å; Y234-E237 PolarHBondContact O-N 2.99Å; Y234-H238 PolarHBondContact O-CD2 3.34Å
235F98.4Very high98.2Very high0 Ų054 Ų540%025%0.247CC..G310 helixtrans-49.7-33.9-173.1-74.9-75.7000114.4F121 I160 L163 L167 V233 E237 H238F121-F235 HydrophobicContact CE1-CB 4.44Å; F121-F235 AromaticContact CE1-CD1 3.65Å; F121-F235 HydrophobicContact CE1-CD1 3.65Å; F121-F235 HydrophobicContact CE1-CE1 4.43Å; F121-F235 AromaticContact CZ-CD1 3.53Å; F121-F235 HydrophobicContact CZ-CD1 3.53Å; F121-F235 AromaticContact CZ-CE1 3.9Å; F121-F235 HydrophobicContact CZ-CE1 3.9Å; I160-F235 HydrophobicContact CB-CD2 4.23Å; I160-F235 HydrophobicContact CB-CE2 4.07Å; I160-F235 HydrophobicContact CD1-CE2 3.94Å; I160-F235 HydrophobicContact CG2-CD2 3.87Å; I160-F235 HydrophobicContact CG2-CE2 4.14Å; L163-F235 HydrophobicContact CB-CD1 4.29Å; L163-F235 HydrophobicContact CB-CE1 4.32Å; L163-F235 HydrophobicContact CB-CG 4.49Å; L163-F235 HydrophobicContact CD1-CB 3.86Å; L163-F235 HydrophobicContact CD1-CD1 4.46Å; L163-F235 HydrophobicContact CD1-CD2 4.33Å; L163-F235 HydrophobicContact CD1-CG 3.98Å; L167-F235 HydrophobicContact CD2-CE1 4.04Å; L167-F235 HydrophobicContact CD2-CZ 4.24Å; V233-F235 HydrophobicContact CB-CD2 4.16Å; V233-F235 HydrophobicContact CB-CE1 4.46Å; V233-F235 HydrophobicContact CB-CE2 3.83Å; V233-F235 HydrophobicContact CB-CZ 4.01Å; V233-F235 HydrophobicContact CG1-CD1 3.94Å; V233-F235 HydrophobicContact CG1-CD2 4.13Å; V233-F235 HydrophobicContact CG1-CE1 3.9Å; V233-F235 HydrophobicContact CG1-CE2 4.06Å; V233-F235 HydrophobicContact CG1-CG 4.07Å; V233-F235 HydrophobicContact CG1-CZ 3.96Å; V233-F235 WeakPolarHBondContact O-CD2 3.41Å; V233-F235 PolarHBondContact O-N 3Å; V233-F235 VanDerWaalsContact O-N 3.08Å; F235-E237 PolarHBondContact O-N 3.14Å; F235-E237 VanDerWaalsContact O-N 3.14Å; F235-H238 PolarHBondContact O-N 2.9Å
236E97.8Very high98.2Very high34 Ų3444.7 Ų44.716%0.15921%0.212CC..G310 helixtrans-60.6-19.9179.1-56.185.5162.600112.8P101 I103 R156 Y234 W239P101-E236 HydrophobicContact CB-CG 3.98Å; P101-E236 WeakPolarHBondContact CB-OE1 3.44Å; P101-E236 WeakPolarHBondContact CG-OE1 3.25Å; I103-E236 HydrophobicContact CD1-CG 3.57Å; R156-E236 IonicContact CZ-OE1 3.77Å; R156-E236 IonicContact NH1-OE1 3.55Å; R156-E236 PolarHBondContact NH1-OE1 3.44Å; R156-E236 IonicContact NH1-OE2 2.91Å; R156-E236 IonicContact NH2-OE1 3.74Å; R156-E236 IonicContact NH2-OE2 2.81Å; R156-E236 PolarHBondContact NH2-OE2 2.93Å; Y234-E236 HydrophobicContact CD1-CB 4.01Å; Y234-E236 WeakPolarHBondContact CD1-OE2 3.44Å; Y234-E236 HydrophobicContact CE1-CB 4.02Å; Y234-E236 HydrophobicContact CE1-CG 4.45Å; Y234-E236 PolarHBondContact O-N 3.2Å; E236-W239 PolarHBondContact O-NE1 3.36Å; E236-W239 VanDerWaalsContact O-NE1 3.14Å
237E97.8Very high98.2Very high100 Ų10041.1 Ų41.147%0.46720%0.195SC..G310 helixtrans-96-3176.2-55.7-169.8145.700113.2R95 Y234 F235R95-E237 IonicContact CZ-OE1 3.81Å; R95-E237 IonicContact CZ-OE2 3.59Å; R95-E237 IonicContact NH1-OE1 3.77Å; R95-E237 IonicContact NH1-OE2 2.7Å; R95-E237 PolarHBondContact NH1-OE2 3.28Å; R95-E237 IonicContact NH2-OE1 3.42Å; R95-E237 PolarHBondContact NH2-OE1 3.4Å; R95-E237 IonicContact NH2-OE2 3.52Å; R95-E237 PolarHBondContact NH2-OE2 3.22Å; Y234-E237 HydrophobicContact CD1-CG 3.77Å; Y234-E237 HydrophobicContact CE1-CG 4.25Å; Y234-E237 HydrophobicContact CG-CG 4.01Å; Y234-E237 WeakPolarHBondContact O-CB 3.49Å; Y234-E237 PolarHBondContact O-N 2.99Å; F235-E237 PolarHBondContact O-N 3.14Å; F235-E237 VanDerWaalsContact O-N 3.14Å
238H98.3Very high98.2Very high39 Ų3944.9 Ų44.918%0.18122%0.221CC..  trans-113.513.9-170.6-68.4-66.4000113.9F121 Y234 F235 E240 D241 L246F121-H238 WeakPolarHBondContact CB-O 3.29Å; F121-H238 HydrophobicContact CD1-CB 4.43Å; Y234-H238 PolarHBondContact O-CD2 3.34Å; F235-H238 PolarHBondContact O-N 2.9Å; H238-E240 VanDerWaalsContact C-N 3.33Å; H238-E240 PolarHBondContact O-N 3.25Å; H238-D241 IonicContact CE1-OD2 3.82Å; H238-D241 IonicContact CG-OD2 3.79Å; H238-D241 IonicContact ND1-OD2 3.89Å; H238-D241 PolarHBondContact ND1-OD2 2.82Å; H238-D241 PolarHBondContact O-N 2.92Å; H238-L246 HydrophobicContact CB-CD1 4.14Å; H238-L246 HydrophobicContact CB-CD2 4.01Å
239W98.5Very high98.2Very high38 Ų3844.2 Ų44.214%0.14423%0.231CC..SBendtrans-60.4-40-176.3-61.4128000113.8I103 V108 L113 L116 F121 G122 Y125 L163 E236I103-W239 HydrophobicContact CD1-CH2 4.24Å; I103-W239 HydrophobicContact CD1-CZ2 4.05Å; V108-W239 HydrophobicContact CG1-CH2 4.46Å; V108-W239 HydrophobicContact CG1-CZ2 4.01Å; V108-W239 HydrophobicContact CG2-CZ2 4.09Å; L113-W239 HydrophobicContact CD1-CD2 4.13Å; L113-W239 HydrophobicContact CD1-CE3 3.9Å; L113-W239 HydrophobicContact CD1-CH2 4.47Å; L113-W239 HydrophobicContact CD1-CZ3 4.07Å; L113-W239 HydrophobicContact CD2-CB 3.72Å; L113-W239 HydrophobicContact CD2-CD2 3.92Å; L113-W239 HydrophobicContact CD2-CE3 4.24Å; L113-W239 HydrophobicContact CD2-CG 3.7Å; L116-W239 HydrophobicContact CD1-CB 4.33Å; L116-W239 WeakPolarHBondContact CD1-O 3.38Å; F121-W239 AromaticContact CD1-CE3 3.93Å; F121-W239 HydrophobicContact CD1-CE3 3.93Å; F121-W239 HydrophobicContact CD1-CZ3 4.15Å; F121-W239 AromaticContact CE1-CE3 3.96Å; F121-W239 HydrophobicContact CE1-CE3 3.96Å; F121-W239 AromaticContact CE1-CZ3 3.72Å; F121-W239 HydrophobicContact CE1-CZ3 3.72Å; G122-W239 WeakPolarHBondContact CA-O 3.34Å; G122-W239 PolarHBondContact N-O 3.05Å; Y125-W239 HydrophobicContact CD1-CH2 4.1Å; Y125-W239 AromaticContact CD1-CZ3 3.79Å; Y125-W239 HydrophobicContact CD1-CZ3 3.79Å; Y125-W239 HydrophobicContact CE1-CH2 4.28Å; Y125-W239 HydrophobicContact CE1-CZ3 4.42Å; Y125-W239 HydrophobicContact CG-CZ3 4.33Å; L163-W239 HydrophobicContact CD1-CH2 4.15Å; L163-W239 HydrophobicContact CD2-CH2 3.64Å; L163-W239 HydrophobicContact CD2-CZ3 3.54Å; E236-W239 PolarHBondContact O-NE1 3.36Å; E236-W239 VanDerWaalsContact O-NE1 3.14Å
240E98.6Very high98.2Very high151 Ų15143.9 Ų43.971%0.70623%0.229SC*.SBendtrans-87.2-12.2-176.5-59.3-172.7-178.800113.2L116 T120 H238L116-E240 HydrophobicContact CD2-CG 3.95Å; T120-E240 VanDerWaalsContact CG2-O 3.27Å; T120-E240 WeakPolarHBondContact CG2-O 3.46Å; H238-E240 VanDerWaalsContact C-N 3.33Å; H238-E240 PolarHBondContact O-N 3.25Å
241D98.6Very high98.2Very high66 Ų6647.7 Ų47.735%0.35325%0.25SC..SBendtrans-64.9143.8-178.7-73.1-0.2000111.2T120 F121 H238 L243 L246T120-D241 CarbonylContact C-O 3.57Å; T120-D241 VanDerWaalsContact CA-O 3.23Å; T120-D241 WeakPolarHBondContact CA-O 3.45Å; F121-D241 PolarHBondContact N-O 3.44Å; H238-D241 IonicContact CE1-OD2 3.82Å; H238-D241 IonicContact CG-OD2 3.79Å; H238-D241 IonicContact ND1-OD2 3.89Å; H238-D241 PolarHBondContact ND1-OD2 2.82Å; H238-D241 PolarHBondContact O-N 2.92Å; D241-L243 PolarHBondContact O-N 3.18Å; D241-L246 HydrophobicContact CB-CB 4.49Å
242N98.4Very high98.1Very high70 Ų7047.9 Ų47.937%0.37425%0.251SS..BIsolated β-bridgetrans-61.8131.6169.2-178.4-66000109.8E244 D245 L246N242-E244 PolarHBondContact O-N 3.38Å; N242-E244 PolarHBondContact OD1-N 2.88Å; N242-D245 HydrophobicContact CB-CB 4.02Å; N242-D245 WeakPolarHBondContact CB-OD2 3.47Å; N242-D245 PolarHBondContact O-N 3.44Å; N242-D245 PolarHBondContact OD1-N 2.98Å; N242-L246 WeakPolarHBondContact O-CB 3.5Å; N242-L246 PolarHBondContact O-N 3.23Å
243L98Very high97.8Very high20 Ų2050.9 Ų50.911%0.10526%0.264CS..Hα-helixtrans-61-39.7-175.3177.458.3000113.3G119 F121 A124 L167 D241 R247G119-L243 WeakPolarHBondContact O-CB 3.07Å; G119-L243 PolarHBondContact O-N 3.4Å; F121-L243 HydrophobicContact CD2-CD1 3.86Å; A124-L243 HydrophobicContact CB-CD2 3.96Å; L167-L243 HydrophobicContact CD1-CD1 4.34Å; D241-L243 PolarHBondContact O-N 3.18Å; L243-R247 WeakPolarHBondContact O-CG 3.48Å; L243-R247 PolarHBondContact O-N 3.41Å
244E97.5Very high97.5Very high80 Ų8055 Ų5537%0.37429%0.293SS..Hα-helixtrans-74.9-34.9-179.9-56.2-53.4151.600111.4N242 R247 S248N242-E244 PolarHBondContact O-N 3.38Å; N242-E244 PolarHBondContact OD1-N 2.88Å; E244-R247 PolarHBondContact O-N 3.21Å; E244-R247 IonicContact OE1-CZ 2.71Å; E244-R247 IonicContact OE1-NH1 3.32Å; E244-R247 PolarHBondContact OE1-NH1 3.46Å; E244-R247 IonicContact OE2-NH1 3.76Å; E244-R247 PolarHBondContact OE2-NH1 3.46Å; E244-S248 WeakPolarHBondContact O-CB 3.34Å; E244-S248 PolarHBondContact O-N 3.19Å; E244-S248 PolarHBondContact O-OG 2.98Å
245D97.9Very high97.1Very high108 Ų10855.6 Ų55.658%0.57830%0.3SS*.Hα-helixtrans-67.2-41.5173.4-63.8-24.9000110.5N242 S248 S249N242-D245 HydrophobicContact CB-CB 4.02Å; N242-D245 WeakPolarHBondContact CB-OD2 3.47Å; N242-D245 PolarHBondContact O-N 3.44Å; N242-D245 PolarHBondContact OD1-N 2.98Å; D245-S248 PolarHBondContact O-N 3.43Å; D245-S249 WeakPolarHBondContact O-CB 3.39Å; D245-S249 PolarHBondContact O-N 3.23Å
246L98.2Very high96.6Very high2 Ų256.6 Ų56.61%0.0131%0.307CS..Hα-helixtrans-60.1-50.3174.1-178.659.8000110.6F121 L167 H238 D241 N242 S248 S249 L250F121-L246 HydrophobicContact CB-CD2 3.83Å; F121-L246 HydrophobicContact CD1-CD2 4.01Å; F121-L246 HydrophobicContact CD2-CD2 3.97Å; F121-L246 HydrophobicContact CG-CD2 3.65Å; L167-L246 HydrophobicContact CD1-CD2 4.03Å; L167-L246 HydrophobicContact CD1-CG 4.09Å; H238-L246 HydrophobicContact CB-CD1 4.14Å; H238-L246 HydrophobicContact CB-CD2 4.01Å; D241-L246 HydrophobicContact CB-CB 4.49Å; N242-L246 WeakPolarHBondContact O-CB 3.5Å; N242-L246 PolarHBondContact O-N 3.23Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 2.9Å; L246-S249 PolarHBondContact O-N 3.34Å; L246-S249 PolarHBondContact O-OG 3.02Å; L246-L250 HydrophobicContact CD1-CD1 3.9Å; L246-L250 HydrophobicContact CD1-CG 4.19Å; L246-L250 HydrophobicContact CG-CD1 4.05Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.39Å; L246-L250 PolarHBondContact O-N 3.36Å
247R98.2Very high95.7Very high12 Ų1259.9 Ų59.95%0.04533%0.331CS..Hα-helixtrans-53.5-48.7173.9-79.6177.8-179.6134.910111.9T166 L167 L243 E244 S249 L250 N251 I252T166-R247 PolarHBondContact O-NH2 3.28Å; L167-R247 HydrophobicContact CD1-CG 4.04Å; L167-R247 VanDerWaalsContact O-CZ 3.3Å; L167-R247 PolarHBondContact O-NE 2.98Å; L167-R247 PolarHBondContact O-NH2 2.96Å; L243-R247 WeakPolarHBondContact O-CG 3.48Å; L243-R247 PolarHBondContact O-N 3.41Å; E244-R247 PolarHBondContact O-N 3.21Å; E244-R247 IonicContact OE1-CZ 2.71Å; E244-R247 IonicContact OE1-NH1 3.32Å; E244-R247 PolarHBondContact OE1-NH1 3.46Å; E244-R247 IonicContact OE2-NH1 3.76Å; E244-R247 PolarHBondContact OE2-NH1 3.46Å; R247-S249 PolarHBondContact O-N 3.47Å; R247-L250 CarbonylContact O-C 3.24Å; R247-L250 PolarHBondContact O-N 2.96Å; R247-L250 VanDerWaalsContact O-N 3.14Å; R247-N251 PolarHBondContact O-N 2.98Å; R247-N251 VanDerWaalsContact O-N 3.14Å; R247-I252 CarbonylContact C-O 3.35Å; R247-I252 HydrophobicContact CB-CB 4.16Å; R247-I252 HydrophobicContact CB-CG2 4.46Å; R247-I252 HydrophobicContact CG-CB 4.32Å; R247-I252 HydrophobicContact CG-CG2 4.17Å; R247-I252 PolarHBondContact O-N 3.36Å
248S97.6Very high94.2Very high87 Ų8760.8 Ų60.861%0.60835%0.346SS*.Hα-helixtrans-60.1-45.6179.6-60.80000111.6E244 D245 L246 L250 N251E244-S248 WeakPolarHBondContact O-CB 3.34Å; E244-S248 PolarHBondContact O-N 3.19Å; E244-S248 PolarHBondContact O-OG 2.98Å; D245-S248 PolarHBondContact O-N 3.43Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 2.9Å; S248-L250 PolarHBondContact O-N 3.46Å; S248-N251 PolarHBondContact O-N 3.09Å
249S97.7Very high92.6Very high78 Ų7862.3 Ų62.355%0.54535%0.35SS..Hα-helixtrans-64.4-26177.877.10000113.7D245 L246 R247D245-S249 WeakPolarHBondContact O-CB 3.39Å; D245-S249 PolarHBondContact O-N 3.23Å; L246-S249 PolarHBondContact O-N 3.34Å; L246-S249 PolarHBondContact O-OG 3.02Å; R247-S249 PolarHBondContact O-N 3.47Å
250L98.2Very high90.4Very high2 Ų269 Ų691%0.0138%0.38CS..THydrogen-bonded Turntrans-934.8177.3-62.1179.3000113L167 A227 R228 V233 L246 R247 S248 I252L167-L250 HydrophobicContact CD1-CD1 4.17Å; L167-L250 HydrophobicContact CD2-CD1 3.76Å; A227-L250 CarbonylContact C-O 3.5Å; A227-L250 VanDerWaalsContact CA-O 3.27Å; A227-L250 WeakPolarHBondContact CA-O 3.29Å; R228-L250 HydrophobicContact CB-CB 4.44Å; R228-L250 HydrophobicContact CB-CD2 3.97Å; R228-L250 HydrophobicContact CG-CD2 4.41Å; R228-L250 PolarHBondContact N-O 3.29Å; V233-L250 HydrophobicContact CG1-CD1 4.08Å; V233-L250 HydrophobicContact CG1-CD2 4.32Å; V233-L250 HydrophobicContact CG2-CD1 4.03Å; V233-L250 HydrophobicContact CG2-CD2 3.61Å; V233-L250 HydrophobicContact CG2-CG 4.46Å; L246-L250 HydrophobicContact CD1-CD1 3.9Å; L246-L250 HydrophobicContact CD1-CG 4.19Å; L246-L250 HydrophobicContact CG-CD1 4.05Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.39Å; L246-L250 PolarHBondContact O-N 3.36Å; R247-L250 CarbonylContact O-C 3.24Å; R247-L250 PolarHBondContact O-N 2.96Å; R247-L250 VanDerWaalsContact O-N 3.14Å; S248-L250 PolarHBondContact O-N 3.46Å; L250-I252 VanDerWaalsContact C-N 3.28Å; L250-I252 HydrophobicContact CB-CD1 3.82Å; L250-I252 HydrophobicContact CB-CG1 4.01Å; L250-I252 HydrophobicContact CD1-CD1 4.24Å; L250-I252 PolarHBondContact O-N 3.15Å
251N98.1Very high88.2Confident87 Ų8768.8 Ų68.847%0.46538%0.382SS..THydrogen-bonded Turntrans56.241.2-175-16536.4000112.9E226 R247 S248E226-N251 PolarHBondContact O-ND2 3.43Å; R247-N251 PolarHBondContact O-N 2.98Å; R247-N251 VanDerWaalsContact O-N 3.14Å; S248-N251 PolarHBondContact O-N 3.09Å
252I97.9Very high85.6Confident7 Ų773.7 Ų73.74%0.03641%0.409CS..  trans-105.5125.3175.7-60.6171.6000107.8L167 L168 T223 A227 L230 R247 L250L167-I252 HydrophobicContact CD1-CD1 4.29Å; L167-I252 HydrophobicContact CD2-CD1 3.34Å; L167-I252 HydrophobicContact CG-CD1 3.69Å; L168-I252 HydrophobicContact CD2-CD1 4.25Å; L168-I252 HydrophobicContact CD2-CG2 3.88Å; T223-I252 HydrophobicContact CG2-CG1 4.19Å; T223-I252 HydrophobicContact CG2-CG2 4.13Å; A227-I252 HydrophobicContact CB-CD1 4.41Å; A227-I252 HydrophobicContact CB-CG1 3.63Å; L230-I252 HydrophobicContact CD2-CD1 4.12Å; R247-I252 CarbonylContact C-O 3.35Å; R247-I252 HydrophobicContact CB-CB 4.16Å; R247-I252 HydrophobicContact CB-CG2 4.46Å; R247-I252 HydrophobicContact CG-CB 4.32Å; R247-I252 HydrophobicContact CG-CG2 4.17Å; R247-I252 PolarHBondContact O-N 3.36Å; L250-I252 VanDerWaalsContact C-N 3.28Å; L250-I252 HydrophobicContact CB-CD1 3.82Å; L250-I252 HydrophobicContact CB-CG1 4.01Å; L250-I252 HydrophobicContact CD1-CD1 4.24Å; L250-I252 PolarHBondContact O-N 3.15Å
253Q92.4Very high85Confident63 Ų6373.9 Ų73.929%0.29441%0.411SS..PPolyproline II helixtrans-71.3157.6175.2-81.2153.165.800111.5Y219 R222Y219-Q253 HydrophobicContact CE2-CB 4.22Å; Y219-Q253 WeakPolarHBondContact CE2-O 3.42Å; Y219-Q253 PolarHBondContact OH-O 3.33Å; R222-Q253 VanDerWaalsContact NH1-OE1 3.11Å
254S90.3Very high84.3Confident88 Ų8876.7 Ų76.762%0.61543%0.427SS*.PPolyproline II helixtrans-54.2135.1168.5-570000109.8
255P91Very high83.6Confident36 Ų3676.6 Ų76.623%0.23443%0.43CS..PPolyproline II helixtrans-64.4150.2-176.826.7-34.6000111.2L168L168-P255 VanDerWaalsContact O-CB 3.31Å; L168-P255 WeakPolarHBondContact O-CB 3.37Å
256P88.5Confident82.7Confident21 Ų2174.7 Ų74.714%0.13642%0.421CS..PPolyproline II helixtrans-56.8148.9172.224.3-32.9000110.2Y219Y219-P256 HydrophobicContact CD1-CG 4.38Å; Y219-P256 HydrophobicContact CG-CG 4.27Å
257P78Confident81.8Confident103 Ų10379.3 Ų79.367%0.66945%0.447SS*.PPolyproline II helixtrans-57.8140.7-173.221.6-32.1000111.2R259P257-R259 PolarHBondContact O-N 2.95Å
258P66Low80.7Confident119 Ų11983.7 Ų83.777%0.77347%0.473SS*.PPolyproline II helixtrans-59142178.723.5-31.5000109.8K260P258-K260 PolarHBondContact O-N 2.7Å
259R64.8Low79.5Confident71 Ų7183.5 Ų83.527%0.26846%0.464SS..  trans-45.9125.8177.2-123.9-173.6-64.7-178.6-3.6109.9D173 Q208 P257 L261D173-R259 IonicContact OD1-NH2 3.84Å; D173-R259 PolarHBondContact OD1-NH2 3.02Å; D173-R259 IonicContact OD2-CZ 3.76Å; D173-R259 IonicContact OD2-NH2 2.73Å; D173-R259 PolarHBondContact OD2-NH2 3.38Å; Q208-R259 VanDerWaalsContact NE2-NH2 3.11Å; P257-R259 PolarHBondContact O-N 2.95Å; R259-L261 HydrophobicContact CB-CG 4.47Å; R259-L261 PolarHBondContact O-N 2.99Å
260K53.2Low78.1Confident179 Ų17983.9 Ų83.978%0.77846%0.458SS*.  trans-72.6108.4150.9-69.2-171.9178.3-177.90105P258 D262P258-K260 PolarHBondContact O-N 2.7Å; K260-D262 WeakPolarHBondContact CB-OD1 3.46Å; K260-D262 PolarHBondContact O-N 2.98Å; K260-D262 VanDerWaalsContact O-N 3.08Å
261L51.9Low76.4Confident145 Ų14590.8 Ų90.876%0.75950%0.495SS*.  trans-77.683.5169.5-73.1164.1000105.6R259R259-L261 HydrophobicContact CB-CG 4.47Å; R259-L261 PolarHBondContact O-N 2.99Å
262D44.2Very low74.4Confident170 Ų17091.1 Ų91.191%0.90950%0.497SS*.  trans-76.70164.7-4.1-56.5000109.9K207 K260K207-D262 PolarHBondContact NZ-O 3.09Å; K260-D262 WeakPolarHBondContact CB-OD1 3.46Å; K260-D262 PolarHBondContact O-N 2.98Å; K260-D262 VanDerWaalsContact O-N 3.08Å

Retrieved 262 of 262 residues in 1061.7 ms (Link to these results)

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