A0A087XFV5_POEFO Loading...

stearoyl-CoA 9-desaturase

AlphaFold DB , UniProt , Accession A0A087XFV5, Species POEFO (Poecilia formosa, Amazon molly), Gene SCD, Length 382 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
1M38.8Very low43.8Very low207 Ų20775 Ų75100%1.0243%0.432SS*.  0-46.90-74.4-175.477.400113.2A3 A4 A5M1-A3 PolarHBondContact O-N 3.03Å; M1-A4 PolarHBondContact O-N 3.3Å; M1-A5 WeakPolarHBondContact O-CB 3.43Å; M1-A5 PolarHBondContact O-N 3.37Å
2L32Very low43.7Very low139 Ų13975.2 Ų75.273%0.72843%0.429SS*.Hα-helixtrans-61.5-41.1-179.3-134.185.7000114.2A5 L6L2-A5 PolarHBondContact O-N 3.05Å; L2-L6 HydrophobicContact CD2-CD1 4.33Å; L2-L6 HydrophobicContact CG-CD1 4.31Å; L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 WeakPolarHBondContact O-CD1 3.31Å; L2-L6 PolarHBondContact O-N 3.37Å
3A39.7Very low43.6Very low38 Ų3871.7 Ų71.731%0.31442%0.42SS..Hα-helixtrans-67.7-41178.300000113.1M1 T7 W266M1-A3 PolarHBondContact O-N 3.03Å; A3-T7 WeakPolarHBondContact O-CB 3.35Å; A3-T7 PolarHBondContact O-N 3.44Å; A3-T7 PolarHBondContact O-OG1 3.48Å; A3-W266 HydrophobicContact CB-CH2 4.4Å; A3-W266 HydrophobicContact CB-CZ3 3.94Å
4A43.4Very low43.7Very low27 Ų2767.3 Ų67.322%0.22339%0.393CS..Hα-helixtrans-65.2-42.7172.900000110.9M1 T7 T8M1-A4 PolarHBondContact O-N 3.3Å; A4-T7 PolarHBondContact O-N 3.46Å; A4-T8 WeakPolarHBondContact O-CB 3.33Å; A4-T8 PolarHBondContact O-N 3.42Å; A4-T8 PolarHBondContact O-OG1 3.14Å
5A42.4Very low43.5Very low50 Ų5063.9 Ų63.941%0.41337%0.374SS..Hα-helixtrans-65.8-41.5177.500000112.9M1 L2 T9M1-A5 WeakPolarHBondContact O-CB 3.43Å; M1-A5 PolarHBondContact O-N 3.37Å; L2-A5 PolarHBondContact O-N 3.05Å; A5-T9 WeakPolarHBondContact O-CB 3.28Å; A5-T9 PolarHBondContact O-N 3.5Å; A5-T9 PolarHBondContact O-OG1 3.21Å
6L44Very low43.2Very low101 Ų10165.2 Ų65.253%0.52938%0.379SS..Hα-helixtrans-63.7-43.7175.4-105117.5000111.1L2 T9 L10L2-L6 HydrophobicContact CD2-CD1 4.33Å; L2-L6 HydrophobicContact CG-CD1 4.31Å; L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 WeakPolarHBondContact O-CD1 3.31Å; L2-L6 PolarHBondContact O-N 3.37Å; L6-T9 PolarHBondContact O-N 3.48Å; L6-L10 VanDerWaalsContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CB 2.94Å; L6-L10 WeakPolarHBondContact O-CD1 3.49Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.39Å
7T51.2Low43.2Very low34 Ų3462.6 Ų62.621%0.20936%0.362CS..Hα-helixtrans-74.5-40.7-177.6-36.20000111.2A3 A4 T9 L10 F11 Y269A3-T7 WeakPolarHBondContact O-CB 3.35Å; A3-T7 PolarHBondContact O-N 3.44Å; A3-T7 PolarHBondContact O-OG1 3.48Å; A4-T7 PolarHBondContact O-N 3.46Å; T7-T9 VanDerWaalsContact C-N 3.34Å; T7-T9 PolarHBondContact O-N 3.09Å; T7-L10 PolarHBondContact O-N 3.27Å; T7-F11 HydrophobicContact CG2-CD2 3.46Å; T7-F11 VanDerWaalsContact CG2-CD2 3.46Å; T7-F11 HydrophobicContact CG2-CE2 3.44Å; T7-F11 VanDerWaalsContact CG2-CE2 3.44Å; T7-F11 VanDerWaalsContact O-CB 3.27Å; T7-F11 WeakPolarHBondContact O-CB 3.44Å; T7-F11 WeakPolarHBondContact O-CD2 3.24Å; T7-F11 PolarHBondContact O-N 3.27Å; T7-Y269 WeakPolarHBondContact CB-OH 3.42Å; T7-Y269 WeakPolarHBondContact CG2-OH 3.18Å; T7-Y269 PolarHBondContact OG1-OH 2.99Å
8T45.8Very low43.2Very low41 Ų4160.9 Ų60.925%0.25235%0.349SS..Hα-helixtrans-60.2-39.3171.1-68.90000112.3A4 F11 L12 L246A4-T8 WeakPolarHBondContact O-CB 3.33Å; A4-T8 PolarHBondContact O-N 3.42Å; A4-T8 PolarHBondContact O-OG1 3.14Å; T8-F11 PolarHBondContact O-N 3.3Å; T8-L12 HydrophobicContact CG2-CD1 3.79Å; T8-L12 HydrophobicContact CG2-CG 4.39Å; T8-L12 VanDerWaalsContact O-CB 3.32Å; T8-L12 WeakPolarHBondContact O-CB 3.46Å; T8-L12 WeakPolarHBondContact O-CD1 3.5Å; T8-L12 WeakPolarHBondContact O-CG 3.42Å; T8-L12 PolarHBondContact O-N 3.31Å; T8-L246 HydrophobicContact CG2-CD1 3.48Å; T8-L246 VanDerWaalsContact CG2-CD1 3.48Å; T8-L246 HydrophobicContact CG2-CD2 4.22Å; T8-L246 HydrophobicContact CG2-CG 4.49Å
9T45.8Very low42.8Very low97 Ų9761.5 Ų61.560%0.59536%0.357SS*.Hα-helixtrans-73.1-37.8177.9-53.40000111.4A5 L6 T7 G13A5-T9 WeakPolarHBondContact O-CB 3.28Å; A5-T9 PolarHBondContact O-N 3.5Å; A5-T9 PolarHBondContact O-OG1 3.21Å; L6-T9 PolarHBondContact O-N 3.48Å; T7-T9 VanDerWaalsContact C-N 3.34Å; T7-T9 PolarHBondContact O-N 3.09Å; T9-G13 PolarHBondContact O-N 3.32Å; T9-G13 VanDerWaalsContact O-N 3.14Å
10L50.3Low42.5Very low79 Ų7963.1 Ų63.141%0.41436%0.364SS..Hα-helixtrans-66.5-35.4171.9-73.4167000112.1L6 T7 G13 Y14 L101L6-L10 VanDerWaalsContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CB 2.94Å; L6-L10 WeakPolarHBondContact O-CD1 3.49Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.39Å; T7-L10 PolarHBondContact O-N 3.27Å; L10-G13 PolarHBondContact O-N 3.31Å; L10-Y14 PolarHBondContact O-N 2.93Å; L10-Y14 VanDerWaalsContact O-N 3.12Å; L10-L101 HydrophobicContact CB-CD2 3.88Å; L10-L101 HydrophobicContact CD2-CD2 4.44Å
11F48.6Very low42.3Very low12 Ų1262.8 Ų62.85%0.05336%0.363CS..Hα-helixtrans-81.2-27.3176.2-86.2-71.2000113.8T7 T8 G13 Y14 C15 L105 F169 F250 L274 Y277T7-F11 HydrophobicContact CG2-CD2 3.46Å; T7-F11 VanDerWaalsContact CG2-CD2 3.46Å; T7-F11 HydrophobicContact CG2-CE2 3.44Å; T7-F11 VanDerWaalsContact CG2-CE2 3.44Å; T7-F11 VanDerWaalsContact O-CB 3.27Å; T7-F11 WeakPolarHBondContact O-CB 3.44Å; T7-F11 WeakPolarHBondContact O-CD2 3.24Å; T7-F11 PolarHBondContact O-N 3.27Å; T8-F11 PolarHBondContact O-N 3.3Å; F11-G13 PolarHBondContact O-N 2.98Å; F11-Y14 HydrophobicContact CD1-CD2 4.13Å; F11-Y14 HydrophobicContact CD1-CG 4.11Å; F11-Y14 HydrophobicContact CE1-CD2 4.14Å; F11-Y14 HydrophobicContact CE1-CE2 4.47Å; F11-Y14 WeakPolarHBondContact O-CA 3.23Å; F11-Y14 WeakPolarHBondContact O-CB 3.23Å; F11-Y14 PolarHBondContact O-N 2.88Å; F11-C15 PolarHBondContact O-N 3.48Å; F11-C15 VanDerWaalsContact O-N 3.13Å; F11-L105 HydrophobicContact CZ-CB 4.47Å; F11-L105 HydrophobicContact CZ-CD1 4.27Å; F11-F169 AromaticContact CD1-CE1 3.66Å; F11-F169 HydrophobicContact CD1-CE1 3.66Å; F11-F169 HydrophobicContact CD1-CZ 4.27Å; F11-F169 AromaticContact CE1-CE1 3.94Å; F11-F169 HydrophobicContact CE1-CE1 3.94Å; F11-F250 HydrophobicContact CB-CE2 4.36Å; F11-F250 HydrophobicContact CD1-CE2 4.1Å; F11-F250 AromaticContact CD1-CZ 3.75Å; F11-F250 HydrophobicContact CD1-CZ 3.75Å; F11-F250 HydrophobicContact CD2-CE1 4.25Å; F11-F250 HydrophobicContact CD2-CE2 4.49Å; F11-F250 AromaticContact CD2-CZ 3.96Å; F11-F250 HydrophobicContact CD2-CZ 3.96Å; F11-F250 AromaticContact CE1-CZ 3.75Å; F11-F250 HydrophobicContact CE1-CZ 3.75Å; F11-F250 HydrophobicContact CE2-CE1 4.09Å; F11-F250 HydrophobicContact CE2-CZ 4Å; F11-F250 HydrophobicContact CG-CE2 4.08Å; F11-F250 AromaticContact CG-CZ 3.86Å; F11-F250 HydrophobicContact CG-CZ 3.86Å; F11-F250 HydrophobicContact CZ-CE1 4.24Å; F11-F250 AromaticContact CZ-CZ 3.9Å; F11-F250 HydrophobicContact CZ-CZ 3.9Å; F11-L274 HydrophobicContact CE2-CD2 4.49Å; F11-Y277 HydrophobicContact CE1-CE1 4.24Å; F11-Y277 HydrophobicContact CZ-CE1 4.48Å
12L42.3Very low41.8Very low77 Ų7760.5 Ų60.540%0.40336%0.355SS..Hα-helixtrans-67.6-30.8166.9-76.7164.5000110.7T8 Y14 C15 L246T8-L12 HydrophobicContact CG2-CD1 3.79Å; T8-L12 HydrophobicContact CG2-CG 4.39Å; T8-L12 VanDerWaalsContact O-CB 3.32Å; T8-L12 WeakPolarHBondContact O-CB 3.46Å; T8-L12 WeakPolarHBondContact O-CD1 3.5Å; T8-L12 WeakPolarHBondContact O-CG 3.42Å; T8-L12 PolarHBondContact O-N 3.31Å; L12-Y14 VanDerWaalsContact C-N 3.33Å; L12-C15 WeakPolarHBondContact O-CB 3.12Å; L12-C15 PolarHBondContact O-N 3.46Å; L12-L246 HydrophobicContact CD1-CD2 4.31Å; L12-L246 HydrophobicContact CD2-CD2 4.19Å; L12-L246 HydrophobicContact CG-CD2 4.5Å
13G42.3Very low41.8Very low30 Ų3061.7 Ų61.731%0.30936%0.355SS..Hα-helixtrans-66.8-28.4163.700000114.2T9 L10 F11 C15 N16 R97T9-G13 PolarHBondContact O-N 3.32Å; T9-G13 VanDerWaalsContact O-N 3.14Å; L10-G13 PolarHBondContact O-N 3.31Å; F11-G13 PolarHBondContact O-N 2.98Å; G13-C15 VanDerWaalsContact C-N 3.32Å; G13-N16 PolarHBondContact O-N 3.13Å; G13-R97 PolarHBondContact O-NH1 3.37Å
14Y45.2Very low41.3Very low10 Ų1067.1 Ų67.14%0.03938%0.378CS..Hα-helixtrans-66.9-31.4172.1-169.5-73.5000111.6L10 F11 L12 N16 F17 L101 F169L10-Y14 PolarHBondContact O-N 2.93Å; L10-Y14 VanDerWaalsContact O-N 3.12Å; F11-Y14 HydrophobicContact CD1-CD2 4.13Å; F11-Y14 HydrophobicContact CD1-CG 4.11Å; F11-Y14 HydrophobicContact CE1-CD2 4.14Å; F11-Y14 HydrophobicContact CE1-CE2 4.47Å; F11-Y14 WeakPolarHBondContact O-CA 3.23Å; F11-Y14 WeakPolarHBondContact O-CB 3.23Å; F11-Y14 PolarHBondContact O-N 2.88Å; L12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-N16 CarbonylContact O-C 3.54Å; Y14-N16 PolarHBondContact O-N 2.93Å; Y14-F17 HydrophobicContact CD1-CB 4.47Å; Y14-F17 AromaticContact CD1-CD2 3.7Å; Y14-F17 HydrophobicContact CD1-CD2 3.7Å; Y14-F17 HydrophobicContact CD1-CE2 4.28Å; Y14-F17 HydrophobicContact CD1-CG 4.31Å; Y14-F17 HydrophobicContact CD2-CD2 4.26Å; Y14-F17 HydrophobicContact CD2-CE2 4.25Å; Y14-F17 AromaticContact CE1-CD2 3.49Å; Y14-F17 HydrophobicContact CE1-CD2 3.49Å; Y14-F17 VanDerWaalsContact CE1-CD2 3.49Å; Y14-F17 AromaticContact CE1-CE2 3.72Å; Y14-F17 HydrophobicContact CE1-CE2 3.72Å; Y14-F17 HydrophobicContact CE1-CG 4.02Å; Y14-F17 HydrophobicContact CE1-CZ 4.41Å; Y14-F17 HydrophobicContact CE2-CD2 4.05Å; Y14-F17 AromaticContact CE2-CE2 3.67Å; Y14-F17 HydrophobicContact CE2-CE2 3.67Å; Y14-F17 HydrophobicContact CG-CD2 4.11Å; Y14-F17 AromaticContact CZ-CD2 3.69Å; Y14-F17 AromaticContact CZ-CE2 3.4Å; Y14-F17 WeakPolarHBondContact O-CA 3.17Å; Y14-F17 VanDerWaalsContact O-CB 3.24Å; Y14-F17 WeakPolarHBondContact O-CB 3.34Å; Y14-F17 PolarHBondContact O-N 2.98Å; Y14-L101 HydrophobicContact CD2-CB 4.33Å; Y14-L101 HydrophobicContact CD2-CD1 3.76Å; Y14-L101 HydrophobicContact CG-CD1 4.38Å; Y14-F169 AromaticContact CD1-CE1 3.97Å; Y14-F169 HydrophobicContact CD1-CE1 3.97Å; Y14-F169 AromaticContact CD1-CE2 3.43Å; Y14-F169 HydrophobicContact CD1-CE2 3.43Å; Y14-F169 VanDerWaalsContact CD1-CE2 3.43Å; Y14-F169 AromaticContact CD1-CZ 3.02Å; Y14-F169 HydrophobicContact CD1-CZ 3.02Å; Y14-F169 HydrophobicContact CE1-CD2 4.19Å; Y14-F169 HydrophobicContact CE1-CE1 4.01Å; Y14-F169 AromaticContact CE1-CE2 3.29Å; Y14-F169 HydrophobicContact CE1-CE2 3.29Å; Y14-F169 AromaticContact CE1-CZ 3.22Å; Y14-F169 HydrophobicContact CE1-CZ 3.22Å; Y14-F169 HydrophobicContact CG-CE1 4.46Å; Y14-F169 AromaticContact CG-CZ 3.8Å; Y14-F169 HydrophobicContact CG-CZ 3.8Å
15C39.8Very low40.7Very low16 Ų1670 Ų7011%0.10840%0.397CS..THydrogen-bonded Turntrans-65.8-6.3176.6-66.60000114.3F11 L12 G13 F17 K242F11-C15 PolarHBondContact O-N 3.48Å; F11-C15 VanDerWaalsContact O-N 3.13Å; L12-C15 WeakPolarHBondContact O-CB 3.12Å; L12-C15 PolarHBondContact O-N 3.46Å; G13-C15 VanDerWaalsContact C-N 3.32Å; C15-F17 PolarHBondContact O-N 3.15Å; C15-K242 HydrophobicContact CB-CB 3.68Å; C15-K242 HydrophobicContact CB-CD 3.47Å; C15-K242 VanDerWaalsContact CB-CD 3.47Å; C15-K242 HydrophobicContact CB-CG 3.5Å; C15-K242 VanDerWaalsContact CB-CG 3.5Å; C15-K242 WeakPolarHBondContact O-CE 3.34Å
16N39.9Very low40.3Very low85 Ų8576 Ų7646%0.45541%0.414SS..THydrogen-bonded Turntrans-87.933160.9-78.7-6.6000111.5G13 Y14 R18 R97 K242G13-N16 PolarHBondContact O-N 3.13Å; Y14-N16 CarbonylContact O-C 3.54Å; Y14-N16 PolarHBondContact O-N 2.93Å; N16-R18 PolarHBondContact O-N 3.12Å; N16-R97 PolarHBondContact O-NH1 3.14Å; N16-R97 PolarHBondContact O-NH2 3Å; N16-K242 PolarHBondContact OD1-NZ 3.32Å
17F42.4Very low39.7Very low21 Ų2174.1 Ų74.19%0.09241%0.408CS..  trans-64.3111.2171.4-139.5-109.1000106.7Y14 C15 N98 N171 L208Y14-F17 HydrophobicContact CD1-CB 4.47Å; Y14-F17 AromaticContact CD1-CD2 3.7Å; Y14-F17 HydrophobicContact CD1-CD2 3.7Å; Y14-F17 HydrophobicContact CD1-CE2 4.28Å; Y14-F17 HydrophobicContact CD1-CG 4.31Å; Y14-F17 HydrophobicContact CD2-CD2 4.26Å; Y14-F17 HydrophobicContact CD2-CE2 4.25Å; Y14-F17 AromaticContact CE1-CD2 3.49Å; Y14-F17 HydrophobicContact CE1-CD2 3.49Å; Y14-F17 VanDerWaalsContact CE1-CD2 3.49Å; Y14-F17 AromaticContact CE1-CE2 3.72Å; Y14-F17 HydrophobicContact CE1-CE2 3.72Å; Y14-F17 HydrophobicContact CE1-CG 4.02Å; Y14-F17 HydrophobicContact CE1-CZ 4.41Å; Y14-F17 HydrophobicContact CE2-CD2 4.05Å; Y14-F17 AromaticContact CE2-CE2 3.67Å; Y14-F17 HydrophobicContact CE2-CE2 3.67Å; Y14-F17 HydrophobicContact CG-CD2 4.11Å; Y14-F17 AromaticContact CZ-CD2 3.69Å; Y14-F17 AromaticContact CZ-CE2 3.4Å; Y14-F17 WeakPolarHBondContact O-CA 3.17Å; Y14-F17 VanDerWaalsContact O-CB 3.24Å; Y14-F17 WeakPolarHBondContact O-CB 3.34Å; Y14-F17 PolarHBondContact O-N 2.98Å; C15-F17 PolarHBondContact O-N 3.15Å; F17-N98 VanDerWaalsContact CE2-ND2 3.3Å; F17-N98 WeakPolarHBondContact CE2-ND2 3.21Å; F17-N98 WeakPolarHBondContact CZ-ND2 3.43Å; F17-N171 VanDerWaalsContact CD1-OD1 3.28Å; F17-N171 WeakPolarHBondContact CD1-OD1 3.05Å; F17-L208 HydrophobicContact CE1-CD2 4.1Å; F17-L208 HydrophobicContact CZ-CD2 4.16Å
18R43.7Very low38.9Very low32 Ų3275 Ų7512%0.12142%0.416CS..  trans68.938.7160.7-91.3-179.6-178.7165.74120.1N16 D20 E175 D179N16-R18 PolarHBondContact O-N 3.12Å; R18-D20 PolarHBondContact O-N 3.37Å; R18-E175 WeakPolarHBondContact CD-OE1 3.35Å; R18-E175 IonicContact NH1-OE1 2.69Å; R18-D179 IonicContact NH1-OD2 3.49Å
19S34.7Very low38.5Very low72 Ų7278.3 Ų78.350%0.50344%0.438SS..  trans-74.867.7153.268.30000110.3
20D37.9Very low38Very low93 Ų9377.7 Ų77.750%0.49744%0.438SS..  trans-84.68.2152.1-68.8-23.2000110.3R18 R211R18-D20 PolarHBondContact O-N 3.37Å; D20-R211 IonicContact OD1-CZ 2.69Å; D20-R211 IonicContact OD1-NH1 3.65Å; D20-R211 PolarHBondContact OD1-NH1 2.69Å; D20-R211 IonicContact OD1-NH2 3.5Å; D20-R211 WeakPolarHBondContact OD2-CD 3.37Å; D20-R211 IonicContact OD2-CZ 2.91Å; D20-R211 IonicContact OD2-NE 3.51Å; D20-R211 IonicContact OD2-NH1 2.66Å; D20-R211 PolarHBondContact OD2-NH1 2.65Å
21T37.2Very low37.3Very low57 Ų5779.4 Ų79.435%0.3544%0.444SS..SBendtrans-112.7108.6166.749.30000107.9F23T21-F23 HydrophobicContact CG2-CD2 4.17Å; T21-F23 PolarHBondContact O-N 3.29Å
22D28.7Very low37Very low159 Ų15984.7 Ų84.785%0.8547%0.467SS*.  trans-63.261.3156.9-81.2-36.4000109.9
23F33Very low36.7Very low164 Ų16489.6 Ų89.672%0.71948%0.481SS*.  trans-112.912.9174-89.4-87.4000111.7T21 S25T21-F23 HydrophobicContact CG2-CD2 4.17Å; T21-F23 PolarHBondContact O-N 3.29Å; F23-S25 PolarHBondContact O-N 3.25Å
24D29Very low36.4Very low152 Ų15292.1 Ų92.181%0.81349%0.494SS*.  trans-76.32.5167.2-82.9-18.8000112.7
25S29.7Very low36Very low88 Ų8898.1 Ų98.162%0.61552%0.52SS*.  trans-102.293.2165.158.60000110.1F23 P27F23-S25 PolarHBondContact O-N 3.25Å; S25-P27 WeakPolarHBondContact O-CD 3.32Å
26F35.1Very low35.8Very low175 Ų175105.1 Ų105.177%0.76855%0.546SS*.PPolyproline II helixtrans-63.5124.7159.9-81.6-85.5000108S28F26-S28 PolarHBondContact O-N 3.11Å
27P30.7Very low35.8Very low63 Ų63105.9 Ų105.941%0.40955%0.549SS..PPolyproline II helixtrans-61.4134.8170.515-19.8000109.1S25 Q31S25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-Q31 HydrophobicContact CB-CB 3.56Å; P27-Q31 HydrophobicContact CB-CG 4.4Å; P27-Q31 VanDerWaalsContact CB-OE1 3.26Å
28S35.5Very low35.4Very low53 Ų53107.4 Ų107.437%0.37156%0.563SS.*PPolyproline II helixtrans-56.8155.9174.966.20000110.2F26 S30 Q31F26-S28 PolarHBondContact O-N 3.11Å; S28-S30 PolarHBondContact O-N 2.8Å; S28-S30 PolarHBondContact OG-OG 3.21Å; S28-Q31 PolarHBondContact O-N 3.46Å
29P37.4Very low35.1Very low109 Ų109110.3 Ų110.371%0.70858%0.58SS**Hα-helixtrans-50.9-27.3-177.1-28.534.9000114.7Y33P29-Y33 WeakPolarHBondContact O-CD2 3.41Å
30S35.1Very low35.2Very low85 Ų85112.3 Ų112.359%0.59458%0.584SS**Hα-helixtrans-71-28.9176.656.10000114.1S28S28-S30 PolarHBondContact O-N 2.8Å; S28-S30 PolarHBondContact OG-OG 3.21Å
31Q35Very low35.2Very low115 Ų115114.9 Ų114.954%0.53759%0.594SS.*Hα-helixtrans-77.2-23.1179.9-78.3170.3-42.300112.9P27 S28 F35P27-Q31 HydrophobicContact CB-CB 3.56Å; P27-Q31 HydrophobicContact CB-CG 4.4Å; P27-Q31 VanDerWaalsContact CB-OE1 3.26Å; S28-Q31 PolarHBondContact O-N 3.46Å; Q31-F35 PolarHBondContact O-N 3.09Å
32K41.6Very low35.2Very low123 Ų123119.5 Ų119.554%0.53561%0.611SS.*Hα-helixtrans-68.8-38.5172.8-74.1-177.6177.4-178.70112.1S34 F35 Y36K32-S34 PolarHBondContact O-N 3.4Å; K32-F35 PolarHBondContact O-N 2.66Å; K32-Y36 WeakPolarHBondContact O-CD2 3.48Å; K32-Y36 PolarHBondContact O-N 2.81Å
33Y37.4Very low35.5Very low179 Ų179119.6 Ų119.670%0.70261%0.606SS**Hα-helixtrans-66.8-37.2179.3-84.5-84.9000112.6P29 F35 L37P29-Y33 WeakPolarHBondContact O-CD2 3.41Å; Y33-F35 PolarHBondContact O-N 2.88Å; Y33-L37 WeakPolarHBondContact O-CB 3.3Å; Y33-L37 WeakPolarHBondContact O-CD1 3.45Å; Y33-L37 VanDerWaalsContact O-CG 3.31Å; Y33-L37 WeakPolarHBondContact O-CG 3.25Å; Y33-L37 PolarHBondContact O-N 3.21Å; Y33-L37 VanDerWaalsContact O-N 3.09Å
34S36Very low35.4Very low84 Ų84116.7 Ų116.759%0.58761%0.606SS**Hα-helixtrans-69.3-32.4179.6-158.20000113.3K32 S38K32-S34 PolarHBondContact O-N 3.4Å; S34-S38 PolarHBondContact O-N 3.48Å; S34-S38 VanDerWaalsContact O-N 3.14Å
35F37.3Very low35.5Very low135 Ų135113.8 Ų113.859%0.59260%0.598SS**Hα-helixtrans-75.6-36.7178.5-173.1-98.4000112.6Q31 K32 Y33 S38 L39Q31-F35 PolarHBondContact O-N 3.09Å; K32-F35 PolarHBondContact O-N 2.66Å; Y33-F35 PolarHBondContact O-N 2.88Å; F35-S38 PolarHBondContact O-OG 2.75Å; F35-S38 VanDerWaalsContact O-OG 3.13Å; F35-L39 HydrophobicContact CE1-CD1 3.99Å; F35-L39 HydrophobicContact CZ-CD1 4.03Å; F35-L39 PolarHBondContact O-N 2.71Å
36Y35.4Very low35.7Very low163 Ų163118.2 Ų118.264%0.63961%0.609SS**Hα-helixtrans-70.6-33.6173.7-86.8-80.9000112.3K32 L40K32-Y36 WeakPolarHBondContact O-CD2 3.48Å; K32-Y36 PolarHBondContact O-N 2.81Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 3.45Å
37L38.7Very low35.5Very low101 Ų101114 Ų11453%0.52961%0.606SS.*Hα-helixtrans-70.2-38.9175.6-75.3165.7000112.2Y33 L39 L40 E41Y33-L37 WeakPolarHBondContact O-CB 3.3Å; Y33-L37 WeakPolarHBondContact O-CD1 3.45Å; Y33-L37 VanDerWaalsContact O-CG 3.31Å; Y33-L37 WeakPolarHBondContact O-CG 3.25Å; Y33-L37 PolarHBondContact O-N 3.21Å; Y33-L37 VanDerWaalsContact O-N 3.09Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.05Å; L37-L40 PolarHBondContact O-N 3.1Å; L37-E41 PolarHBondContact O-N 3.42Å
38S34.8Very low35.4Very low54 Ų54118.4 Ų118.438%0.37863%0.626SS.*Hα-helixtrans-68.2-28.4176.672.60000113.3S34 F35 H42S34-S38 PolarHBondContact O-N 3.48Å; S34-S38 VanDerWaalsContact O-N 3.14Å; F35-S38 PolarHBondContact O-OG 2.75Å; F35-S38 VanDerWaalsContact O-OG 3.13Å; S38-H42 PolarHBondContact O-N 3.39Å
39L36.1Very low35Very low93 Ų93124.8 Ų124.849%0.48765%0.652SS.*Hα-helixtrans-73.3-31.5173.7-115.990.1000112.7F35 L37 H43F35-L39 HydrophobicContact CE1-CD1 3.99Å; F35-L39 HydrophobicContact CZ-CD1 4.03Å; F35-L39 PolarHBondContact O-N 2.71Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.05Å; L39-H43 PolarHBondContact O-N 3.44Å
40L37.2Very low34.5Very low113 Ų113126.1 Ų126.159%0.59266%0.658SS**Hα-helixtrans-78.6-33.1178.2-74.9167.6000112.4Y36 L37 H43 S44Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 3.45Å; L37-L40 PolarHBondContact O-N 3.1Å; L40-H43 PolarHBondContact O-N 2.98Å; L40-S44 PolarHBondContact O-N 2.9Å; L40-S44 PolarHBondContact O-OG 3.24Å; L40-S44 VanDerWaalsContact O-OG 3.05Å
41E38.7Very low34.2Very low148 Ų148128.8 Ų128.869%0.69267%0.671SS**Hα-helixtrans-68.7-36172.8-76.4178166.100111.8L37 H43 S44L37-E41 PolarHBondContact O-N 3.42Å; E41-H43 VanDerWaalsContact C-N 3.33Å; E41-H43 PolarHBondContact O-N 3.08Å; E41-S44 PolarHBondContact O-N 2.95Å
42H36.2Very low33.8Very low153 Ų153128 Ų12871%0.70868%0.678SS**Hα-helixtrans-71.1-25.1177-117.7-50.7000114S38S38-H42 PolarHBondContact O-N 3.39Å
43H34.9Very low33.1Very low162 Ų162130.7 Ų130.775%0.7569%0.693SS**THydrogen-bonded Turntrans-87-6.6177-102.7-49.3000114.4L39 L40 E41L39-H43 PolarHBondContact O-N 3.44Å; L40-H43 PolarHBondContact O-N 2.98Å; E41-H43 VanDerWaalsContact C-N 3.33Å; E41-H43 PolarHBondContact O-N 3.08Å
44S31.1Very low32.8Very low103 Ų103127.7 Ų127.772%0.7270%0.695SS**THydrogen-bonded Turntrans-96.10.8-179.9-60.90000113.9L40 E41L40-S44 PolarHBondContact O-N 2.9Å; L40-S44 PolarHBondContact O-OG 3.24Å; L40-S44 VanDerWaalsContact O-OG 3.05Å; E41-S44 PolarHBondContact O-N 2.95Å
45S32.5Very low32.3Very low91 Ų91133.1 Ų133.164%0.63671%0.708SS**SBendtrans-108.99.6-178880000115.9
46E33.7Very low31.8Very low181 Ų181136 Ų13685%0.84672%0.724SS**SBendtrans-125.832.4-179.9-80.3-170.2162.200113.7
47A31.3Very low31.5Very low86 Ų86137.4 Ų137.471%0.71173%0.733SS**  trans-124.777.4171.900000110.7
48D27.5Very low31Very low156 Ų156141.4 Ų141.483%0.83475%0.749SS**  trans-164.9103.9152.4-111.6-16.3000110.7
49M27.5Very low30.6Very low187 Ų187148.4 Ų148.492%0.92178%0.776SS**  trans-178.7103.6140.9-103.1-169.2-58.800110.1
50T27.4Very low30.1Very low136 Ų136152.6 Ų152.683%0.83479%0.793SS**  trans-78.7128.616544.80000110.9
51V28.9Very low29.6Very low142 Ų142156.6 Ų156.686%0.86181%0.808SS**  trans-142.1135.2151.2-178.30000109
52S25.2Very low29Very low99 Ų99159.1 Ų159.169%0.69282%0.817SS**  trans-96.1157.6-17147.40000114.5
53E27.2Very low28.5Very low178 Ų178156.9 Ų156.983%0.83282%0.818SS**  trans91.7155.1159.1-61.5-162.3154.700120.1
54P30.8Very low28.4Very low117 Ų117155.6 Ų155.676%0.7682%0.822SS**  cis-130.3173.7-40.535-17.9000114.1
55F26.6Very low28.3Very low197 Ų197157.5 Ų157.586%0.86482%0.824SS**  trans-48.4129.5176.9-109.3-109.6000115.7
56E26.8Very low28Very low196 Ų196156.6 Ų156.692%0.91683%0.829SS**  trans-135.7125.3153.6-113.2-178.9178.600111.5
57K28.9Very low27.6Very low193 Ų193155.8 Ų155.884%0.83983%0.83SS**  trans-74.1123177.7-79171173.1172.90109.7
58Q27.1Very low27.6Very low185 Ų185158.1 Ų158.186%0.86484%0.835SS**  trans-122.5104.7152.8-88.5-176-7.100110.4Q60Q58-Q60 PolarHBondContact O-N 2.81Å
59Q26.3Very low27.5Very low201 Ų201156.1 Ų156.194%0.93983%0.832SS**  trans-65.4114.1162.8-105.6166.8-25.500108.3
60Q26.6Very low27.5Very low181 Ų181152.8 Ų152.885%0.84683%0.828SS**  trans-120.8125.2163.9-122.8173.95.100109.4Q58 K62Q58-Q60 PolarHBondContact O-N 2.81Å; Q60-K62 PolarHBondContact O-N 3.23Å
61H26.7Very low27.8Very low196 Ų196154.9 Ų154.991%0.90783%0.828SS**  trans-41.6116.2-178.5-101.9-103.5000113.5S63H61-S63 PolarHBondContact O-N 3.08Å
62K25.6Very low28.1Very low202 Ų202152.7 Ų152.788%0.87883%0.825SS**  trans-73.9107.5160.6-91.6-177.6172.5-177.80108.6Q60Q60-K62 PolarHBondContact O-N 3.23Å
63S26.1Very low29.4Very low105 Ų105152 Ų15273%0.73483%0.825SS**  trans-78.6131.8159.3109.70000107.7H61 N65H61-S63 PolarHBondContact O-N 3.08Å; S63-N65 PolarHBondContact O-N 3.06Å
64V31.8Very low31.4Very low136 Ų136145 Ų14582%0.82480%0.8SS**  trans-77.9107.6-177.51750000107.9
65N29.5Very low33.9Very low143 Ų143141 Ų14177%0.76577%0.771SS**  trans-128.8126.8157.2-93.8-19.5000107.4S63 D67S63-N65 PolarHBondContact O-N 3.06Å; N65-D67 PolarHBondContact O-N 3.37Å; N65-D67 VanDerWaalsContact O-N 3.15Å
66G27.4Very low36.4Very low72 Ų72132.2 Ų132.274%0.74273%0.734SS**  trans-57.9115.2-174.800000111.6V68G66-V68 PolarHBondContact O-N 2.72Å
67D24.5Very low39.2Very low163 Ų163124.4 Ų124.487%0.87270%0.702SS**  trans-61.997.5165.2-82.5-38.4000108.8N65 C69N65-D67 PolarHBondContact O-N 3.37Å; N65-D67 VanDerWaalsContact O-N 3.15Å; D67-C69 PolarHBondContact O-N 2.94Å
68V31.2Very low42Very low135 Ų135118.7 Ų118.782%0.81868%0.678SS**  trans-68.9111.7150.5176.30000105.1G66 S70G66-V68 PolarHBondContact O-N 2.72Å; V68-S70 PolarHBondContact O-N 3.21Å
69C26Very low45Very low114 Ų114111.8 Ų111.877%0.7765%0.647SS**  trans-40113.4172.6-90.20000110.3D67 E71D67-C69 PolarHBondContact O-N 2.94Å; C69-E71 PolarHBondContact O-N 2.7Å
70S27Very low47.7Very low118 Ų118109.1 Ų109.183%0.82563%0.634SS**  trans-71.884.1163.453.50000107.7V68 A72V68-S70 PolarHBondContact O-N 3.21Å; S70-A72 PolarHBondContact O-N 2.95Å; S70-A72 VanDerWaalsContact O-N 3.12Å
71E33Very low50.6Low180 Ų180106 Ų10684%0.84163%0.628SS**  trans-54.1117.4148.4-79.3-175.3157.100105.5C69 A73C69-E71 PolarHBondContact O-N 2.7Å; E71-A73 PolarHBondContact O-N 2.88Å
72A35.7Very low53.6Low95 Ų9598.3 Ų98.379%0.78559%0.591SS**  trans-41.1119.8-178.800000109.5S70 G74S70-A72 PolarHBondContact O-N 2.95Å; S70-A72 VanDerWaalsContact O-N 3.12Å; A72-G74 PolarHBondContact O-N 2.61Å; A72-G74 VanDerWaalsContact O-N 3.1Å
73A53.5Low56.4Low84 Ų8497.1 Ų97.169%0.69459%0.586SS**  trans-48122.6-176.200000109.1E71 A77E71-A73 PolarHBondContact O-N 2.88Å; A73-A77 HydrophobicContact CB-CB 3.78Å
74G68.9Low59.4Low31 Ų3194.6 Ų94.632%0.3256%0.562SS.*  trans-54.4158.4-176.800000111.8A72 D76 A77A72-G74 PolarHBondContact O-N 2.61Å; A72-G74 VanDerWaalsContact O-N 3.1Å; G74-D76 PolarHBondContact O-N 2.61Å; G74-A77 WeakPolarHBondContact O-CB 3.33Å; G74-A77 PolarHBondContact O-N 3.16Å
75E82.6Confident62Low33 Ų3394.3 Ų94.315%0.15455%0.55CS.*THydrogen-bonded Turntrans-61.8-2.8-179.5-69.9-66.9-177.600114.9K185 L223 E224E75-K185 IonicContact OE2-NZ 2.68Å; E75-K185 PolarHBondContact OE2-NZ 2.98Å; E75-L223 HydrophobicContact CB-CD2 4.39Å; E75-L223 WeakPolarHBondContact OE2-CD2 3.48Å; E75-E224 HydrophobicContact CG-CB 3.9Å; E75-E224 VanDerWaalsContact OE1-CB 3.23Å; E75-E224 WeakPolarHBondContact OE1-CB 3Å; E75-E224 PolarHBondContact OE1-N 3.5Å
76D79.8Confident64.6Low14 Ų1497 Ų978%0.07556%0.558CS.*THydrogen-bonded Turntrans-109.66175.961.5-35.8000113.6G74 H148 H184G74-D76 PolarHBondContact O-N 2.61Å; D76-H148 WeakPolarHBondContact CB-ND1 3.24Å; D76-H148 IonicContact OD2-CE1 3.89Å; D76-H148 IonicContact OD2-CG 3.16Å; D76-H148 IonicContact OD2-ND1 3.96Å; D76-H148 PolarHBondContact OD2-ND1 2.96Å; D76-H184 HydrophobicContact CB-CB 4.41Å; D76-H184 VanDerWaalsContact O-CB 3.32Å; D76-H184 WeakPolarHBondContact O-CB 3.46Å
77A85.8Confident67.3Low31 Ų3196.3 Ų96.326%0.25655%0.551SS.*SBendtrans-81.1139.3171.800000110.9A73 G74 D79 K185A73-A77 HydrophobicContact CB-CB 3.78Å; G74-A77 WeakPolarHBondContact O-CB 3.33Å; G74-A77 PolarHBondContact O-N 3.16Å; A77-D79 PolarHBondContact O-N 2.73Å; A77-K185 WeakPolarHBondContact O-CA 3.47Å; A77-K185 WeakPolarHBondContact O-CG 3.49Å
78F86.4Confident70.2Confident73 Ų7395 Ų9532%0.3255%0.551SS.*  trans-65.2129.7179.6-170.9-86.9000111.8H80 H184F78-H80 AromaticContact CD1-CD2 3.97Å; F78-H80 AromaticContact CD1-CE1 3.3Å; F78-H80 WeakPolarHBondContact CD1-CE1 3.47Å; F78-H80 AromaticContact CD1-CG 3.73Å; F78-H80 AromaticContact CD1-ND1 3.31Å; F78-H80 VanDerWaalsContact CD1-ND1 3.31Å; F78-H80 WeakPolarHBondContact CD1-ND1 3.49Å; F78-H80 AromaticContact CD1-NE2 3.74Å; F78-H80 AromaticContact CE1-CE1 3.63Å; F78-H80 AromaticContact CE1-CG 3.92Å; F78-H80 AromaticContact CE1-ND1 3.26Å; F78-H80 VanDerWaalsContact CE1-ND1 3.26Å; F78-H80 WeakPolarHBondContact CE1-ND1 3.3Å; F78-H184 WeakPolarHBondContact CD2-O 3.31Å
79D89.6Confident72.9Confident41 Ų4193.9 Ų93.922%0.21954%0.536CS..  trans-96.997.1178.2-177.81.2000110.8A77 T81 K185 Y186A77-D79 PolarHBondContact O-N 2.73Å; D79-T81 PolarHBondContact O-N 3.21Å; D79-T81 WeakPolarHBondContact OD1-CA 3.44Å; D79-T81 WeakPolarHBondContact OD1-CB 3.49Å; D79-T81 PolarHBondContact OD1-N 2.73Å; D79-T81 PolarHBondContact OD1-OG1 2.78Å; D79-K185 HydrophobicContact CB-CG 3.87Å; D79-K185 WeakPolarHBondContact CB-O 3.47Å; D79-K185 PolarHBondContact N-O 3.3Å; D79-Y186 HydrophobicContact CB-CD1 4.33Å; D79-Y186 HydrophobicContact CB-CE1 3.97Å; D79-Y186 WeakPolarHBondContact OD2-CE1 3.48Å
80H83.5Confident75.9Confident144 Ų14491.9 Ų91.967%0.66752%0.521SS*.THydrogen-bonded Turntrans-68.1-11176.7-63.1-71.9000114.1F78F78-H80 AromaticContact CD1-CD2 3.97Å; F78-H80 AromaticContact CD1-CE1 3.3Å; F78-H80 WeakPolarHBondContact CD1-CE1 3.47Å; F78-H80 AromaticContact CD1-CG 3.73Å; F78-H80 AromaticContact CD1-ND1 3.31Å; F78-H80 VanDerWaalsContact CD1-ND1 3.31Å; F78-H80 WeakPolarHBondContact CD1-ND1 3.49Å; F78-H80 AromaticContact CD1-NE2 3.74Å; F78-H80 AromaticContact CE1-CE1 3.63Å; F78-H80 AromaticContact CE1-CG 3.92Å; F78-H80 AromaticContact CE1-ND1 3.26Å; F78-H80 VanDerWaalsContact CE1-ND1 3.26Å; F78-H80 WeakPolarHBondContact CE1-ND1 3.3Å
81T88.3Confident78.8Confident117 Ų11791.4 Ų91.472%0.71852%0.518SS*.THydrogen-bonded Turntrans-88.9-20.8-175.974.40000112.9D79 K83D79-T81 PolarHBondContact O-N 3.21Å; D79-T81 WeakPolarHBondContact OD1-CA 3.44Å; D79-T81 WeakPolarHBondContact OD1-CB 3.49Å; D79-T81 PolarHBondContact OD1-N 2.73Å; D79-T81 PolarHBondContact OD1-OG1 2.78Å; T81-K83 PolarHBondContact O-N 2.87Å
82Y89.1Confident81.6Confident33 Ų3389 Ų8913%0.12950%0.504CS..  trans-67.6131.3179.2-179.8-113.5000111.5Y186 T189 A191 D215Y82-Y186 AromaticContact CD1-CD1 3.64Å; Y82-Y186 HydrophobicContact CD1-CD1 3.64Å; Y82-Y186 HydrophobicContact CD1-CE1 4.39Å; Y82-Y186 HydrophobicContact CD1-CG 4.33Å; Y82-Y186 HydrophobicContact CD2-CD1 4.37Å; Y82-Y186 HydrophobicContact CD2-CE1 4.35Å; Y82-Y186 HydrophobicContact CE1-CD1 4.42Å; Y82-Y186 AromaticContact CG-CD1 3.6Å; Y82-Y186 HydrophobicContact CG-CD1 3.6Å; Y82-Y186 AromaticContact CG-CE1 3.91Å; Y82-Y186 HydrophobicContact CG-CE1 3.91Å; Y82-T189 HydrophobicContact CD1-CG2 3.98Å; Y82-T189 HydrophobicContact CE1-CG2 4.16Å; Y82-T189 WeakPolarHBondContact CE1-OG1 3.39Å; Y82-A191 HydrophobicContact CE1-CB 3.92Å; Y82-D215 PolarHBondContact OH-OD2 3.44Å; Y82-D215 VanDerWaalsContact OH-OD2 3.07Å
83K85.3Confident84.5Confident178 Ų17889.5 Ų89.577%0.77449%0.493SS*.  trans-123138.2171.6-64.2-173.6179.8-178.20109.1T81T81-K83 PolarHBondContact O-N 2.87Å
84E88.4Confident86.6Confident52 Ų5289.6 Ų89.624%0.24348%0.481CS..PPolyproline II helixtrans-59146.5172.5-65.1-172.6157.500110.1E86 K89 T189 D190E84-E86 PolarHBondContact O-N 2.97Å; E84-K89 IonicContact OE1-NZ 3.74Å; E84-K89 PolarHBondContact OE1-NZ 2.87Å; E84-K89 IonicContact OE2-NZ 3.75Å; E84-K89 PolarHBondContact OE2-NZ 3.4Å; E84-T189 VanDerWaalsContact OE1-C 3.25Å; E84-T189 WeakPolarHBondContact OE1-CA 3.34Å; E84-D190 HydrophobicContact CG-CB 4.37Å; E84-D190 PolarHBondContact OE1-N 3.4Å
85K86.6Confident87.8Confident130 Ų13089 Ų8957%0.56547%0.471SS*.PPolyproline II helixtrans-64.4133174-65168.7-176.3152.80109D215 E218K85-D215 IonicContact NZ-OD1 3.74Å; K85-D215 PolarHBondContact NZ-OD1 3.19Å; K85-E218 IonicContact NZ-OE2 2.93Å; K85-E218 PolarHBondContact NZ-OE2 2.75Å
86E83.5Confident88.4Confident199 Ų19995.4 Ų95.493%0.9349%0.494SS*.SBendtrans-69.2145174.4-64.8-173.5177.800110.7E84E84-E86 PolarHBondContact O-N 2.97Å
87G84.1Confident89Confident58 Ų5899.3 Ų99.360%0.59851%0.508SS*.SBendtrans121-175.9176.400000114.4K89G87-K89 PolarHBondContact O-N 3.27Å
88P86Confident89.1Confident135 Ų13598.3 Ų98.388%0.87750%0.498SS*.PPolyproline II helixtrans-68.4129.6-179.127.7-32.8000110.5
89K87.2Confident89.5Confident112 Ų11296.5 Ų96.549%0.48749%0.492SS..PPolyproline II helixtrans-67.7142.6175.5-59.5-168.2178.7-148.50110.1E84 G87 D190E84-K89 IonicContact OE1-NZ 3.74Å; E84-K89 PolarHBondContact OE1-NZ 2.87Å; E84-K89 IonicContact OE2-NZ 3.75Å; E84-K89 PolarHBondContact OE2-NZ 3.4Å; G87-K89 PolarHBondContact O-N 3.27Å; K89-D190 VanDerWaalsContact CD-OD2 3.32Å; K89-D190 WeakPolarHBondContact CD-OD2 2.93Å; K89-D190 WeakPolarHBondContact CE-OD2 3.49Å; K89-D190 IonicContact NZ-OD1 3.86Å; K89-D190 PolarHBondContact NZ-OD1 3.44Å; K89-D190 IonicContact NZ-OD2 2.86Å; K89-D190 PolarHBondContact NZ-OD2 3.1Å
90P89Confident89.8Confident71 Ų7199.1 Ų99.146%0.46150%0.504SS..PPolyproline II helixtrans-60.5148.5178.425.8-33.9000111.1H213P90-H213 VanDerWaalsContact CD-NE2 3.27Å; P90-H213 WeakPolarHBondContact CD-NE2 3.34Å; P90-H213 VanDerWaalsContact CG-NE2 3.34Å; P90-H213 WeakPolarHBondContact CG-NE2 3.4Å
91S88.8Confident90.2Very high108 Ų10892.8 Ų92.876%0.75548%0.476SS*.PPolyproline II helixtrans-64.4145.3178.361.40000111.2I93S91-I93 PolarHBondContact O-N 2.97Å
92K92.4Very high90.5Very high130 Ų13087.6 Ų87.657%0.56544%0.443SS*.PPolyproline II helixtrans-75.2122.4178.8-63.3178.7-173.1174.40109.4V210K92-V210 HydrophobicContact CB-CG1 4.45Å
93I95.9Very high90.9Very high106 Ų10689.6 Ų89.654%0.54446%0.459SS..  trans-94.9114.5174.7-56.3174.7000108.6S91 V210 R211S91-I93 PolarHBondContact O-N 2.97Å; I93-V210 CarbonylContact O-C 3.47Å; I93-V210 WeakPolarHBondContact O-CA 3.33Å; I93-V210 WeakPolarHBondContact O-CB 3.48Å; I93-R211 HydrophobicContact CB-CB 4.28Å; I93-R211 HydrophobicContact CB-CG 3.96Å; I93-R211 HydrophobicContact CG2-CG 4.06Å; I93-R211 PolarHBondContact O-N 2.74Å
94L96.4Very high91.4Very high86 Ų8685.3 Ų85.345%0.4544%0.444SS..BIsolated β-bridgetrans-70.9141.1179-58.3-175.5000111.4W96 I99 V210L94-W96 HydrophobicContact CD1-CH2 4.21Å; L94-W96 HydrophobicContact CD1-CZ2 3.82Å; L94-I99 HydrophobicContact CB-CD1 4.11Å; L94-I99 HydrophobicContact CD1-CD1 4.37Å; L94-V210 HydrophobicContact CD2-CG1 3.75Å
95V95.8Very high91.8Very high18 Ų1883 Ų8311%0.10943%0.433CS..  trans-107.485.5174-174.10000108.2R97 N98 I99 L209 R211V95-R97 VanDerWaalsContact C-N 3.26Å; V95-R97 PolarHBondContact O-N 3.3Å; V95-R97 VanDerWaalsContact O-N 3.17Å; V95-N98 HydrophobicContact CB-CB 4.23Å; V95-N98 HydrophobicContact CG1-CB 4.05Å; V95-N98 WeakPolarHBondContact CG1-OD1 3.44Å; V95-N98 WeakPolarHBondContact O-CB 3.43Å; V95-N98 PolarHBondContact O-N 2.89Å; V95-I99 PolarHBondContact O-N 2.84Å; V95-I99 VanDerWaalsContact O-N 3.14Å; V95-L209 PolarHBondContact N-O 3.31Å; V95-R211 HydrophobicContact CG2-CG 4.08Å
96W94.9Very high92.3Very high168 Ų16879.1 Ų79.164%0.63642%0.417SS*.Hα-helixtrans-55.1-36.3-172.7-74.2109.5000114.6L94 N98 I99 I100L94-W96 HydrophobicContact CD1-CH2 4.21Å; L94-W96 HydrophobicContact CD1-CZ2 3.82Å; W96-N98 VanDerWaalsContact C-N 3.29Å; W96-N98 PolarHBondContact O-N 2.82Å; W96-I99 HydrophobicContact CD2-CD1 4.3Å; W96-I99 HydrophobicContact CE3-CB 4.46Å; W96-I99 HydrophobicContact CE3-CD1 3.89Å; W96-I99 HydrophobicContact CE3-CG2 4.44Å; W96-I99 HydrophobicContact CZ3-CD1 4.18Å; W96-I99 PolarHBondContact O-N 3.23Å; W96-I100 WeakPolarHBondContact O-CG1 3.38Å; W96-I100 PolarHBondContact O-N 2.85Å
97R91.4Very high93Very high96 Ų9674.7 Ų74.736%0.36240%0.399SS..Hα-helixtrans-55.7-46.3173.4-175.9-173.666.7-176.4-3.5111.4G13 N16 V95 I100 L101G13-R97 PolarHBondContact O-NH1 3.37Å; N16-R97 PolarHBondContact O-NH1 3.14Å; N16-R97 PolarHBondContact O-NH2 3Å; V95-R97 VanDerWaalsContact C-N 3.26Å; V95-R97 PolarHBondContact O-N 3.3Å; V95-R97 VanDerWaalsContact O-N 3.17Å; R97-I100 PolarHBondContact O-N 2.95Å; R97-L101 HydrophobicContact CG-CD1 3.84Å; R97-L101 HydrophobicContact CG-CG 4.47Å; R97-L101 WeakPolarHBondContact O-CB 3.46Å; R97-L101 VanDerWaalsContact O-CG 3.25Å; R97-L101 WeakPolarHBondContact O-CG 3.49Å; R97-L101 PolarHBondContact O-N 3.18Å
98N89Confident93.7Very high9 Ų972.3 Ų72.35%0.04838%0.375CS..Hα-helixtrans-67.8-41.1-178.9-67.419.4000110.6F17 V95 W96 L101 M102 L208 L209F17-N98 VanDerWaalsContact CE2-ND2 3.3Å; F17-N98 WeakPolarHBondContact CE2-ND2 3.21Å; F17-N98 WeakPolarHBondContact CZ-ND2 3.43Å; V95-N98 HydrophobicContact CB-CB 4.23Å; V95-N98 HydrophobicContact CG1-CB 4.05Å; V95-N98 WeakPolarHBondContact CG1-OD1 3.44Å; V95-N98 WeakPolarHBondContact O-CB 3.43Å; V95-N98 PolarHBondContact O-N 2.89Å; W96-N98 VanDerWaalsContact C-N 3.29Å; W96-N98 PolarHBondContact O-N 2.82Å; N98-L101 PolarHBondContact O-N 3.27Å; N98-M102 WeakPolarHBondContact O-CB 3.23Å; N98-M102 PolarHBondContact O-N 3.27Å; N98-L208 WeakPolarHBondContact CB-O 3.31Å; N98-L208 PolarHBondContact ND2-O 2.83Å; N98-L209 HydrophobicContact CB-CD2 4.36Å
99I95.2Very high94.2Very high36 Ų3666.1 Ų66.119%0.18534%0.335CS..Hα-helixtrans-56-54175.3-63.6170.7000110.2L94 V95 W96 L101 M102 T103 L209L94-I99 HydrophobicContact CB-CD1 4.11Å; L94-I99 HydrophobicContact CD1-CD1 4.37Å; V95-I99 PolarHBondContact O-N 2.84Å; V95-I99 VanDerWaalsContact O-N 3.14Å; W96-I99 HydrophobicContact CD2-CD1 4.3Å; W96-I99 HydrophobicContact CE3-CB 4.46Å; W96-I99 HydrophobicContact CE3-CD1 3.89Å; W96-I99 HydrophobicContact CE3-CG2 4.44Å; W96-I99 HydrophobicContact CZ3-CD1 4.18Å; W96-I99 PolarHBondContact O-N 3.23Å; I99-L101 PolarHBondContact O-N 3.32Å; I99-M102 PolarHBondContact O-N 2.97Å; I99-T103 WeakPolarHBondContact O-CB 3.22Å; I99-T103 PolarHBondContact O-N 3.33Å; I99-T103 PolarHBondContact O-OG1 3.23Å; I99-L209 HydrophobicContact CG1-CB 3.9Å; I99-L209 HydrophobicContact CG1-CD1 4.37Å; I99-L209 HydrophobicContact CG1-CD2 4.24Å; I99-L209 HydrophobicContact CG1-CG 4.38Å
100I95.3Very high94.7Very high95 Ų9564.4 Ų64.449%0.48733%0.333SS..Hα-helixtrans-60.9-49.9-178.1-66.4165.1000111.2W96 R97 M102 T103 L104W96-I100 WeakPolarHBondContact O-CG1 3.38Å; W96-I100 PolarHBondContact O-N 2.85Å; R97-I100 PolarHBondContact O-N 2.95Å; I100-M102 VanDerWaalsContact C-N 3.31Å; I100-M102 PolarHBondContact O-N 3.32Å; I100-T103 PolarHBondContact O-N 3.17Å; I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.37Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 2.84Å
101L92.4Very high95.2Very high12 Ų1265.7 Ų65.76%0.06333%0.33CS..Hα-helixtrans-63.4-39.2-178.2-67.5173.9000111.8L10 Y14 R97 N98 I99 L104 L105L10-L101 HydrophobicContact CB-CD2 3.88Å; L10-L101 HydrophobicContact CD2-CD2 4.44Å; Y14-L101 HydrophobicContact CD2-CB 4.33Å; Y14-L101 HydrophobicContact CD2-CD1 3.76Å; Y14-L101 HydrophobicContact CG-CD1 4.38Å; R97-L101 HydrophobicContact CG-CD1 3.84Å; R97-L101 HydrophobicContact CG-CG 4.47Å; R97-L101 WeakPolarHBondContact O-CB 3.46Å; R97-L101 VanDerWaalsContact O-CG 3.25Å; R97-L101 WeakPolarHBondContact O-CG 3.49Å; R97-L101 PolarHBondContact O-N 3.18Å; N98-L101 PolarHBondContact O-N 3.27Å; I99-L101 PolarHBondContact O-N 3.32Å; L101-L104 PolarHBondContact O-N 3.49Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 PolarHBondContact O-N 3.12Å
102M94.1Very high95.6Very high8 Ų860.5 Ų60.54%0.03929%0.294CS..Hα-helixtrans-68.4-40.8178.1-156.763.280.800111.5N98 I99 I100 L105 H106 I205 L208 L209 W285N98-M102 WeakPolarHBondContact O-CB 3.23Å; N98-M102 PolarHBondContact O-N 3.27Å; I99-M102 PolarHBondContact O-N 2.97Å; I100-M102 VanDerWaalsContact C-N 3.31Å; I100-M102 PolarHBondContact O-N 3.32Å; M102-L105 PolarHBondContact O-N 3.35Å; M102-L105 HydrophobicContact SD-CD2 4.2Å; M102-H106 PolarHBondContact O-N 3.42Å; M102-H106 VanDerWaalsContact O-N 3.1Å; M102-H106 PolarHBondContact O-ND1 3.19Å; M102-I205 HydrophobicContact CG-CD1 3.35Å; M102-I205 HydrophobicContact CG-CG1 4.06Å; M102-I205 HydrophobicContact SD-CD1 4.11Å; M102-L208 HydrophobicContact CE-CD1 4.04Å; M102-L209 HydrophobicContact CB-CD2 4.11Å; M102-L209 HydrophobicContact CG-CD2 4.41Å; M102-W285 HydrophobicContact CE-CH2 3.82Å; M102-W285 HydrophobicContact CE-CZ2 4.08Å; M102-W285 HydrophobicContact SD-CH2 3.63Å; M102-W285 HydrophobicContact SD-CZ2 4.41Å
103T96.6Very high95.9Very high74 Ų7458.5 Ų58.545%0.45429%0.288SS..Hα-helixtrans-60.3-49.4172.8-61.90000111.3I99 I100 L105 H106 L107I99-T103 WeakPolarHBondContact O-CB 3.22Å; I99-T103 PolarHBondContact O-N 3.33Å; I99-T103 PolarHBondContact O-OG1 3.23Å; I100-T103 PolarHBondContact O-N 3.17Å; T103-L105 VanDerWaalsContact C-N 3.35Å; T103-L105 PolarHBondContact O-N 2.78Å; T103-H106 PolarHBondContact O-N 3.38Å; T103-L107 HydrophobicContact CG2-CD1 3.93Å; T103-L107 HydrophobicContact CG2-CG 4.33Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.38Å; T103-L107 PolarHBondContact O-N 3.34Å
104L96.4Very high96Very high88 Ų8860.6 Ų60.646%0.46129%0.294SS..Hα-helixtrans-62.2-40.9179.8-69.7175.8000112.5I100 L101 L107 G108I100-L104 HydrophobicContact CG2-CD1 3.94Å; I100-L104 HydrophobicContact CG2-CG 4.37Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 2.84Å; L101-L104 PolarHBondContact O-N 3.49Å; L104-L107 PolarHBondContact O-N 3.31Å; L104-G108 PolarHBondContact O-N 2.71Å
105L96.6Very high96.1Very high4 Ų457.5 Ų57.52%0.02128%0.278CS..Hα-helixtrans-58.3-49.7175.317461.5000111.3F11 L101 M102 T103 G108 A109 L274 Y277 T278 L281F11-L105 HydrophobicContact CZ-CB 4.47Å; F11-L105 HydrophobicContact CZ-CD1 4.27Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 PolarHBondContact O-N 3.12Å; M102-L105 PolarHBondContact O-N 3.35Å; M102-L105 HydrophobicContact SD-CD2 4.2Å; T103-L105 VanDerWaalsContact C-N 3.35Å; T103-L105 PolarHBondContact O-N 2.78Å; L105-G108 PolarHBondContact O-N 2.88Å; L105-A109 PolarHBondContact O-N 3.47Å; L105-L274 HydrophobicContact CD1-CB 4.44Å; L105-L274 HydrophobicContact CD1-CD2 4.05Å; L105-Y277 HydrophobicContact CD1-CD1 3.7Å; L105-Y277 HydrophobicContact CD1-CE1 4.22Å; L105-Y277 HydrophobicContact CD2-CD1 3.75Å; L105-Y277 HydrophobicContact CD2-CE1 3.53Å; L105-Y277 HydrophobicContact CG-CD1 4.39Å; L105-T278 VanDerWaalsContact CD1-OG1 3.31Å; L105-T278 WeakPolarHBondContact CD1-OG1 3.41Å; L105-T278 WeakPolarHBondContact CG-OG1 3.22Å; L105-L281 HydrophobicContact CD2-CD1 3.7Å
106H97.9Very high96.2Very high48 Ų4859.6 Ų59.622%0.22229%0.288CS..Hα-helixtrans-69-37.6-178.1-72.775.9000112.2M102 T103 G108 A109 V110 N282 W285M102-H106 PolarHBondContact O-N 3.42Å; M102-H106 VanDerWaalsContact O-N 3.1Å; M102-H106 PolarHBondContact O-ND1 3.19Å; T103-H106 PolarHBondContact O-N 3.38Å; H106-G108 VanDerWaalsContact C-N 3.34Å; H106-A109 PolarHBondContact O-N 3.34Å; H106-V110 WeakPolarHBondContact O-CG2 3.22Å; H106-V110 PolarHBondContact O-N 3Å; H106-N282 PolarHBondContact NE2-ND2 3.48Å; H106-N282 VanDerWaalsContact NE2-ND2 3.15Å; H106-W285 AromaticContact CE1-CZ3 3.9Å; H106-W285 AromaticContact NE2-CZ3 3.9Å
107L98.1Very high96.3Very high107 Ų10757.1 Ų57.156%0.5629%0.293SS*.Hα-helixtrans-61.7-43.1172.2-70.2175.4000111.5T103 L104 V110 Y111T103-L107 HydrophobicContact CG2-CD1 3.93Å; T103-L107 HydrophobicContact CG2-CG 4.33Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.38Å; T103-L107 PolarHBondContact O-N 3.34Å; L104-L107 PolarHBondContact O-N 3.31Å; L107-V110 PolarHBondContact O-N 3.49Å; L107-Y111 PolarHBondContact O-N 2.86Å
108G97.4Very high96.6Very high8 Ų856.4 Ų56.48%0.08230%0.303CS..Hα-helixtrans-62.5-40.2174.500000112.6L104 L105 H106 Y111 G112 F270L104-G108 PolarHBondContact O-N 2.71Å; L105-G108 PolarHBondContact O-N 2.88Å; H106-G108 VanDerWaalsContact C-N 3.34Å; G108-Y111 PolarHBondContact O-N 3.35Å; G108-G112 PolarHBondContact O-N 3.05Å; G108-F270 WeakPolarHBondContact O-CD1 3.41Å
109A97.8Very high97.1Very high4 Ų456.6 Ų56.63%0.03331%0.306CS..Hα-helixtrans-65.6-43.7175.500000112.4L105 H106 Y111 G112 L113 L275 T278L105-A109 PolarHBondContact O-N 3.47Å; H106-A109 PolarHBondContact O-N 3.34Å; A109-Y111 VanDerWaalsContact C-N 3.29Å; A109-Y111 PolarHBondContact O-N 3.27Å; A109-G112 CarbonylContact O-C 3.57Å; A109-G112 WeakPolarHBondContact O-CA 3.49Å; A109-G112 PolarHBondContact O-N 3Å; A109-L113 PolarHBondContact O-N 2.77Å; A109-L275 HydrophobicContact CB-CB 4.48Å; A109-L275 HydrophobicContact CB-CD1 4.15Å; A109-T278 HydrophobicContact CB-CG2 3.71Å; A109-T278 WeakPolarHBondContact CB-OG1 3.22Å
110V98.4Very high97.2Very high76 Ų7656.5 Ų56.546%0.46131%0.309SS..Hα-helixtrans-58.8-43.8174.2168.90000110.3H106 L107 G112 L113 F114H106-V110 WeakPolarHBondContact O-CG2 3.22Å; H106-V110 PolarHBondContact O-N 3Å; L107-V110 PolarHBondContact O-N 3.49Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 3.47Å; V110-L113 WeakPolarHBondContact O-CB 3.31Å; V110-L113 PolarHBondContact O-N 3.36Å; V110-F114 HydrophobicContact CG1-CE2 4.03Å; V110-F114 WeakPolarHBondContact O-CD2 3.47Å
111Y98.2Very high97.4Very high98 Ų9857.1 Ų57.138%0.38432%0.318SS..Hα-helixtrans-62.6-40.3173.3-179.4-114.4000112.4L107 G108 A109 L113 F114 L115 W266 F270L107-Y111 PolarHBondContact O-N 2.86Å; G108-Y111 PolarHBondContact O-N 3.35Å; A109-Y111 VanDerWaalsContact C-N 3.29Å; A109-Y111 PolarHBondContact O-N 3.27Å; Y111-L113 PolarHBondContact O-N 2.96Å; Y111-F114 WeakPolarHBondContact O-CB 3.47Å; Y111-F114 PolarHBondContact O-N 2.86Å; Y111-L115 HydrophobicContact CD1-CD1 4.13Å; Y111-L115 HydrophobicContact CE1-CD1 3.67Å; Y111-L115 HydrophobicContact CE1-CG 4.24Å; Y111-L115 PolarHBondContact O-N 3.28Å; Y111-W266 AromaticContact CE1-CE2 3.95Å; Y111-W266 HydrophobicContact CE1-CZ2 4.07Å; Y111-W266 AromaticContact CE1-NE1 3.38Å; Y111-W266 AromaticContact CZ-NE1 3.65Å; Y111-W266 PolarHBondContact OH-NE1 2.94Å; Y111-F270 AromaticContact CD1-CD1 3.73Å; Y111-F270 HydrophobicContact CD1-CD1 3.73Å; Y111-F270 HydrophobicContact CD1-CD2 4.05Å; Y111-F270 AromaticContact CD1-CE1 3.71Å; Y111-F270 HydrophobicContact CD1-CE1 3.71Å; Y111-F270 HydrophobicContact CD1-CE2 4.06Å; Y111-F270 AromaticContact CD1-CG 3.91Å; Y111-F270 HydrophobicContact CD1-CG 3.91Å; Y111-F270 AromaticContact CD1-CZ 3.88Å; Y111-F270 HydrophobicContact CD1-CZ 3.88Å; Y111-F270 HydrophobicContact CE1-CD1 4.45Å; Y111-F270 AromaticContact CE1-CD2 3.96Å; Y111-F270 HydrophobicContact CE1-CD2 3.96Å; Y111-F270 HydrophobicContact CE1-CE1 4.38Å; Y111-F270 AromaticContact CE1-CE2 3.91Å; Y111-F270 HydrophobicContact CE1-CE2 3.91Å; Y111-F270 HydrophobicContact CE1-CG 4.25Å; Y111-F270 HydrophobicContact CE1-CZ 4.11Å
112G98.1Very high97.6Very high0 Ų059.4 Ų59.40%034%0.335CS..Hα-helixtrans-57.4-32.4173.500000113.9G108 A109 V110 F114 L115 I116G108-G112 PolarHBondContact O-N 3.05Å; A109-G112 CarbonylContact O-C 3.57Å; A109-G112 WeakPolarHBondContact O-CA 3.49Å; A109-G112 PolarHBondContact O-N 3Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 3.47Å; G112-F114 VanDerWaalsContact C-N 3.31Å; G112-F114 PolarHBondContact O-N 3.47Å; G112-L115 PolarHBondContact O-N 2.88Å; G112-L115 VanDerWaalsContact O-N 3.1Å; G112-I116 PolarHBondContact O-N 2.82Å
113L98.2Very high97.9Very high87 Ų8759 Ų5946%0.45533%0.333SS..Hα-helixtrans-60.2-41173.8-65.9171.7000111.8A109 V110 Y111 L115 I116 L275A109-L113 PolarHBondContact O-N 2.77Å; V110-L113 WeakPolarHBondContact O-CB 3.31Å; V110-L113 PolarHBondContact O-N 3.36Å; Y111-L113 PolarHBondContact O-N 2.96Å; L113-L115 PolarHBondContact O-N 2.91Å; L113-I116 HydrophobicContact CD2-CD1 3.96Å; L113-I116 WeakPolarHBondContact O-CB 3.36Å; L113-I116 PolarHBondContact O-N 3.49Å; L113-L275 HydrophobicContact CD2-CD1 3.7Å; L113-L275 HydrophobicContact CD2-CD2 3.87Å; L113-L275 HydrophobicContact CD2-CG 4.46Å; L113-L275 HydrophobicContact CG-CD1 4.03Å; L113-L275 HydrophobicContact CG-CD2 4.45Å
114F98.1Very high98Very high151 Ų15158.7 Ų58.766%0.66233%0.329SS*.Hα-helixtrans-70.3-16.7177.7-64.4-77.7000113.3V110 Y111 G112V110-F114 HydrophobicContact CG1-CE2 4.03Å; V110-F114 WeakPolarHBondContact O-CD2 3.47Å; Y111-F114 WeakPolarHBondContact O-CB 3.47Å; Y111-F114 PolarHBondContact O-N 2.86Å; G112-F114 VanDerWaalsContact C-N 3.31Å; G112-F114 PolarHBondContact O-N 3.47Å
115L98.1Very high98.1Very high21 Ų2160.2 Ų60.211%0.1134%0.337CS..Hα-helixtrans-91-9176.7-64.6180000113.6Y111 G112 L113 P117 S118 A119 F270 V271Y111-L115 HydrophobicContact CD1-CD1 4.13Å; Y111-L115 HydrophobicContact CE1-CD1 3.67Å; Y111-L115 HydrophobicContact CE1-CG 4.24Å; Y111-L115 PolarHBondContact O-N 3.28Å; G112-L115 PolarHBondContact O-N 2.88Å; G112-L115 VanDerWaalsContact O-N 3.1Å; L113-L115 PolarHBondContact O-N 2.91Å; L115-P117 VanDerWaalsContact C-CD 3.5Å; L115-S118 WeakPolarHBondContact O-CB 3.47Å; L115-S118 PolarHBondContact O-N 3.27Å; L115-A119 PolarHBondContact O-N 3.15Å; L115-F270 HydrophobicContact CD1-CB 3.74Å; L115-F270 HydrophobicContact CD1-CD2 4.05Å; L115-F270 HydrophobicContact CD1-CG 4.1Å; L115-V271 HydrophobicContact CB-CG2 4.05Å
116I98.1Very high98.2Very high62 Ų6262.6 Ų62.632%0.31835%0.346SS..G310 helixtrans-53.7-45.1178.2-68.8172.9000112.4G112 L113 S118 A119 L124 L275G112-I116 PolarHBondContact O-N 2.82Å; L113-I116 HydrophobicContact CD2-CD1 3.96Å; L113-I116 WeakPolarHBondContact O-CB 3.36Å; L113-I116 PolarHBondContact O-N 3.49Å; I116-S118 PolarHBondContact O-N 2.98Å; I116-S118 VanDerWaalsContact O-N 3.15Å; I116-A119 WeakPolarHBondContact O-CB 3.37Å; I116-A119 PolarHBondContact O-N 2.93Å; I116-L124 HydrophobicContact CG2-CD2 4.15Å; I116-L275 HydrophobicContact CD1-CD2 3.94Å; I116-L275 HydrophobicContact CG1-CD2 4.19Å
117P97.9Very high98.2Very high116 Ų11661.1 Ų61.175%0.75334%0.34SS*.G310 helixtrans-63.3-20.5178.8-23.435.6000114.1L115L115-P117 VanDerWaalsContact C-CD 3.5Å
118S97.4Very high98.2Very high81 Ų8161.2 Ų61.257%0.56634%0.339SS*.G310 helixtrans-91.4-8.2177-53.20000113.2L115 I116L115-S118 WeakPolarHBondContact O-CB 3.47Å; L115-S118 PolarHBondContact O-N 3.27Å; I116-S118 PolarHBondContact O-N 2.98Å; I116-S118 VanDerWaalsContact O-N 3.15Å
119A98.2Very high98.3Very high13 Ų1363.3 Ų63.311%0.10735%0.351CS..SBendtrans-81.5136.9179.800000111.2L115 I116 T123 L124 V267L115-A119 PolarHBondContact O-N 3.15Å; I116-A119 WeakPolarHBondContact O-CB 3.37Å; I116-A119 PolarHBondContact O-N 2.93Å; A119-T123 HydrophobicContact CB-CG2 4.27Å; A119-L124 HydrophobicContact CB-CD2 3.84Å; A119-L124 HydrophobicContact CB-CG 4.08Å; A119-V267 HydrophobicContact CB-CG1 3.64Å
120S98.3Very high98.3Very high34 Ų3463.1 Ų63.124%0.23835%0.349CS..  trans-64.1152.8172.664.70000111.3S122 T123 L124 E263S120-S122 PolarHBondContact O-N 3.05Å; S120-T123 WeakPolarHBondContact O-CB 3.36Å; S120-T123 PolarHBondContact O-N 2.93Å; S120-T123 PolarHBondContact OG-N 3.45Å; S120-T123 PolarHBondContact OG-OG1 3.44Å; S120-L124 PolarHBondContact O-N 3.33Å; S120-L124 VanDerWaalsContact O-N 3.1Å; S120-E263 WeakPolarHBondContact CB-OE2 3.36Å; S120-E263 PolarHBondContact N-OE2 3.48Å; S120-E263 PolarHBondContact OG-OE2 3.44Å
121P98.4Very high98.3Very high107 Ų10761.1 Ų61.170%0.69533%0.334SS*.Hα-helixtrans-54.6-36.7175.1-27.835.8000113.4L124 L125P121-L124 PolarHBondContact O-N 3.27Å; P121-L125 WeakPolarHBondContact O-CB 3.36Å; P121-L125 PolarHBondContact O-N 2.95Å
122S98.6Very high98.4Very high60 Ų6059.2 Ų59.242%0.4233%0.33SS..Hα-helixtrans-63.1-39.7175.7-57.30000112.3S120 L125 W126S120-S122 PolarHBondContact O-N 3.05Å; S122-L125 PolarHBondContact O-N 3.46Å; S122-W126 VanDerWaalsContact O-CB 3.25Å; S122-W126 WeakPolarHBondContact O-CB 3.27Å; S122-W126 PolarHBondContact O-N 3.44Å
123T98.7Very high98.4Very high0 Ų061 Ų610%034%0.34CS..Hα-helixtrans-65.7-40.6174.9-62.40000112.1A119 S120 W126 S127 P257 W261 E263 V267 P272A119-T123 HydrophobicContact CB-CG2 4.27Å; S120-T123 WeakPolarHBondContact O-CB 3.36Å; S120-T123 PolarHBondContact O-N 2.93Å; S120-T123 PolarHBondContact OG-N 3.45Å; S120-T123 PolarHBondContact OG-OG1 3.44Å; T123-W126 PolarHBondContact O-N 2.87Å; T123-S127 WeakPolarHBondContact O-CB 3.34Å; T123-S127 PolarHBondContact O-N 2.91Å; T123-P257 HydrophobicContact CG2-CB 4.37Å; T123-P257 HydrophobicContact CG2-CG 4.48Å; T123-W261 PolarHBondContact OG1-NE1 3.35Å; T123-E263 VanDerWaalsContact CB-OE2 3.28Å; T123-E263 WeakPolarHBondContact CB-OE2 3.44Å; T123-E263 HydrophobicContact CG2-CG 4.13Å; T123-E263 VanDerWaalsContact OG1-CG 3.28Å; T123-E263 WeakPolarHBondContact OG1-CG 3.22Å; T123-E263 PolarHBondContact OG1-OE2 3.14Å; T123-V267 HydrophobicContact CG2-CG1 4.43Å; T123-P272 HydrophobicContact CG2-CG 4.12Å
124L98.6Very high98.4Very high68 Ų6856.9 Ų56.936%0.35632%0.318SS..Hα-helixtrans-66.5-43.4177.1-63.9179.2000111.6I116 A119 S120 P121 S127 M128 V271I116-L124 HydrophobicContact CG2-CD2 4.15Å; A119-L124 HydrophobicContact CB-CD2 3.84Å; A119-L124 HydrophobicContact CB-CG 4.08Å; S120-L124 PolarHBondContact O-N 3.33Å; S120-L124 VanDerWaalsContact O-N 3.1Å; P121-L124 PolarHBondContact O-N 3.27Å; L124-S127 WeakPolarHBondContact O-CB 3.49Å; L124-S127 PolarHBondContact O-N 3.29Å; L124-M128 PolarHBondContact O-N 2.87Å; L124-V271 HydrophobicContact CD2-CG1 4.27Å
125L98.6Very high98.5Very high120 Ų12050.2 Ų50.263%0.62829%0.29SS*.Hα-helixtrans-60.7-46.7173.8178.660000111.1P121 S122 S127 M128 T129P121-L125 WeakPolarHBondContact O-CB 3.36Å; P121-L125 PolarHBondContact O-N 2.95Å; S122-L125 PolarHBondContact O-N 3.46Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.03Å; L125-M128 WeakPolarHBondContact O-CB 3.29Å; L125-M128 PolarHBondContact O-N 3.36Å; L125-M128 VanDerWaalsContact O-N 3.16Å; L125-T129 PolarHBondContact O-N 2.98Å; L125-T129 PolarHBondContact O-OG1 2.85Å; L125-T129 VanDerWaalsContact O-OG1 3.08Å
126W98.7Very high98.5Very high54 Ų5450 Ų5021%0.20529%0.29CS..Hα-helixtrans-60.6-40.9176.9177-111.1000112.8S122 T123 M128 T129 C130 I252 P253 V256 P257 W261S122-W126 VanDerWaalsContact O-CB 3.25Å; S122-W126 WeakPolarHBondContact O-CB 3.27Å; S122-W126 PolarHBondContact O-N 3.44Å; T123-W126 PolarHBondContact O-N 2.87Å; W126-M128 VanDerWaalsContact C-N 3.34Å; W126-M128 PolarHBondContact O-N 3.2Å; W126-T129 PolarHBondContact O-N 3.4Å; W126-C130 PolarHBondContact O-N 3.48Å; W126-C130 PolarHBondContact O-SG 2.97Å; W126-I252 HydrophobicContact CZ2-CG2 3.95Å; W126-P253 PolarHBondContact NE1-O 3.05Å; W126-V256 HydrophobicContact CD2-CG1 4.01Å; W126-V256 HydrophobicContact CE3-CG1 4.32Å; W126-V256 HydrophobicContact CH2-CB 4.43Å; W126-V256 HydrophobicContact CH2-CG1 4.12Å; W126-V256 HydrophobicContact CH2-CG2 4.25Å; W126-V256 HydrophobicContact CZ2-CB 3.72Å; W126-V256 HydrophobicContact CZ2-CG1 3.78Å; W126-V256 HydrophobicContact CZ2-CG2 3.74Å; W126-V256 HydrophobicContact CZ3-CG1 4.38Å; W126-P257 HydrophobicContact CG-CG 4.2Å; W126-W261 HydrophobicContact CB-CH2 3.82Å; W126-W261 HydrophobicContact CB-CZ2 3.73Å; W126-W261 HydrophobicContact CD2-CH2 4.22Å; W126-W261 AromaticContact CG-CH2 3.88Å; W126-W261 HydrophobicContact CG-CH2 3.88Å; W126-W261 HydrophobicContact CG-CZ2 4.04Å
127S98.6Very high98.5Very high16 Ų1647.1 Ų47.111%0.11228%0.275CS..Hα-helixtrans-59.2-45.2174.1-171.90000111.2T123 L124 L125 C130 F131 R276T123-S127 WeakPolarHBondContact O-CB 3.34Å; T123-S127 PolarHBondContact O-N 2.91Å; L124-S127 WeakPolarHBondContact O-CB 3.49Å; L124-S127 PolarHBondContact O-N 3.29Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.03Å; S127-C130 PolarHBondContact O-N 3.44Å; S127-F131 WeakPolarHBondContact O-CB 3.44Å; S127-F131 PolarHBondContact O-N 3.27Å; S127-R276 WeakPolarHBondContact O-CG 3.37Å
128M98.5Very high98.6Very high110 Ų11041.9 Ų41.954%0.54224%0.24SC..Hα-helixtrans-64.2-41.4175.2-174.962.378.200112L124 L125 W126 C130 F131 L132L124-M128 PolarHBondContact O-N 2.87Å; L125-M128 WeakPolarHBondContact O-CB 3.29Å; L125-M128 PolarHBondContact O-N 3.36Å; L125-M128 VanDerWaalsContact O-N 3.16Å; W126-M128 VanDerWaalsContact C-N 3.34Å; W126-M128 PolarHBondContact O-N 3.2Å; M128-C130 PolarHBondContact O-N 3.21Å; M128-F131 WeakPolarHBondContact O-CB 3.43Å; M128-F131 PolarHBondContact O-N 3.35Å; M128-F131 HydrophobicContact SD-CD1 4.47Å; M128-L132 HydrophobicContact CG-CD1 4.45Å; M128-L132 WeakPolarHBondContact O-CG 3.36Å; M128-L132 PolarHBondContact O-N 3.46Å
129T98.7Very high98.6Very high52 Ų5238.3 Ų38.332%0.31922%0.215SC..Hα-helixtrans-60.9-45.9175.1-57.60000111.4L125 W126 F131 L132 I133L125-T129 PolarHBondContact O-N 2.98Å; L125-T129 PolarHBondContact O-OG1 2.85Å; L125-T129 VanDerWaalsContact O-OG1 3.08Å; W126-T129 PolarHBondContact O-N 3.4Å; T129-F131 VanDerWaalsContact C-N 3.32Å; T129-F131 PolarHBondContact O-N 3.43Å; T129-L132 PolarHBondContact O-N 2.91Å; T129-I133 HydrophobicContact CG2-CD1 3.88Å; T129-I133 WeakPolarHBondContact O-CG1 3.25Å; T129-I133 PolarHBondContact O-N 2.62Å
130C98.8Very high98.7Very high0 Ų037.7 Ų37.70%021%0.21CC..Hα-helixtrans-62.7-39.3175.6-68.60000111.8W126 S127 M128 S134 M167 R276W126-C130 PolarHBondContact O-N 3.48Å; W126-C130 PolarHBondContact O-SG 2.97Å; S127-C130 PolarHBondContact O-N 3.44Å; M128-C130 PolarHBondContact O-N 3.21Å; C130-S134 WeakPolarHBondContact O-CB 3.29Å; C130-S134 PolarHBondContact O-N 3.13Å; C130-S134 PolarHBondContact O-OG 2.72Å; C130-M167 HydrophobicContact CB-SD 3.76Å; C130-R276 HydrophobicContact CB-CG 4.34Å
131F98.8Very high98.7Very high33 Ų3336.1 Ų36.115%0.14520%0.199CC..Hα-helixtrans-57.9-50.1173.3179.2-84.6000110.8S127 M128 T129 S134 A135 R276 L279 V280 A283 I316S127-F131 WeakPolarHBondContact O-CB 3.44Å; S127-F131 PolarHBondContact O-N 3.27Å; M128-F131 WeakPolarHBondContact O-CB 3.43Å; M128-F131 PolarHBondContact O-N 3.35Å; M128-F131 HydrophobicContact SD-CD1 4.47Å; T129-F131 VanDerWaalsContact C-N 3.32Å; T129-F131 PolarHBondContact O-N 3.43Å; F131-S134 WeakPolarHBondContact O-CB 3.43Å; F131-S134 PolarHBondContact O-N 3.14Å; F131-A135 HydrophobicContact CE1-CB 4.4Å; F131-A135 VanDerWaalsContact O-CB 3.31Å; F131-A135 WeakPolarHBondContact O-CB 3.3Å; F131-A135 PolarHBondContact O-N 3.06Å; F131-R276 HydrophobicContact CB-CG 4.08Å; F131-L279 HydrophobicContact CD2-CB 4.35Å; F131-L279 HydrophobicContact CE2-CB 4.17Å; F131-V280 HydrophobicContact CD2-CG2 3.41Å; F131-V280 VanDerWaalsContact CD2-CG2 3.41Å; F131-V280 HydrophobicContact CE2-CB 4.46Å; F131-V280 HydrophobicContact CE2-CG2 3.76Å; F131-V280 HydrophobicContact CG-CG2 4.12Å; F131-A283 HydrophobicContact CZ-CB 4.37Å; F131-I316 HydrophobicContact CE1-CG2 4.46Å
132L98.6Very high98.7Very high58 Ų5831 Ų3130%0.30417%0.166SC..Hα-helixtrans-64.4-41.9-179.2-70174.8000112.7M128 T129 S134 A135 L136 I316 L342M128-L132 HydrophobicContact CG-CD1 4.45Å; M128-L132 WeakPolarHBondContact O-CG 3.36Å; M128-L132 PolarHBondContact O-N 3.46Å; T129-L132 PolarHBondContact O-N 2.91Å; L132-S134 VanDerWaalsContact C-N 3.34Å; L132-A135 PolarHBondContact O-N 3.35Å; L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.3Å; L132-L136 PolarHBondContact O-N 3.44Å; L132-I316 HydrophobicContact CD2-CG2 4.35Å; L132-L342 HydrophobicContact CD2-CD2 3.75Å
133I98.8Very high98.7Very high39 Ų3928.7 Ų28.720%0.215%0.148CC..Hα-helixtrans-63.3-42.6175.8-67.8164.8000110.8T129 G137 G164 M167T129-I133 HydrophobicContact CG2-CD1 3.88Å; T129-I133 WeakPolarHBondContact O-CG1 3.25Å; T129-I133 PolarHBondContact O-N 2.62Å; I133-G137 PolarHBondContact O-N 3.43Å; I133-G164 WeakPolarHBondContact O-CA 3.49Å; I133-M167 HydrophobicContact CB-SD 4.14Å; I133-M167 HydrophobicContact CG2-CE 4.2Å; I133-M167 HydrophobicContact CG2-SD 4.07Å
134S98.8Very high98.7Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-60.6-49.4175.2-57.70000111C130 F131 L132 G137 I138 M167C130-S134 WeakPolarHBondContact O-CB 3.29Å; C130-S134 PolarHBondContact O-N 3.13Å; C130-S134 PolarHBondContact O-OG 2.72Å; F131-S134 WeakPolarHBondContact O-CB 3.43Å; F131-S134 PolarHBondContact O-N 3.14Å; L132-S134 VanDerWaalsContact C-N 3.34Å; S134-G137 PolarHBondContact O-N 3.39Å; S134-G137 VanDerWaalsContact O-N 3.16Å; S134-I138 PolarHBondContact O-N 2.9Å; S134-I138 VanDerWaalsContact O-N 3.16Å; S134-M167 WeakPolarHBondContact OG-CG 3.41Å
135A98.7Very high98.8Very high10 Ų1026.1 Ų26.18%0.08314%0.135CC..Hα-helixtrans-61.1-47.8-178.300000111F131 L132 G137 I138 T139 I316F131-A135 HydrophobicContact CE1-CB 4.4Å; F131-A135 VanDerWaalsContact O-CB 3.31Å; F131-A135 WeakPolarHBondContact O-CB 3.3Å; F131-A135 PolarHBondContact O-N 3.06Å; L132-A135 PolarHBondContact O-N 3.35Å; A135-G137 VanDerWaalsContact C-N 3.29Å; A135-G137 PolarHBondContact O-N 2.83Å; A135-I138 PolarHBondContact O-N 3.19Å; A135-T139 WeakPolarHBondContact O-CG2 3.47Å; A135-T139 PolarHBondContact O-N 3.15Å; A135-T139 PolarHBondContact O-OG1 3.08Å; A135-T139 VanDerWaalsContact O-OG1 3.07Å; A135-I316 HydrophobicContact CB-CD1 3.4Å; A135-I316 VanDerWaalsContact CB-CD1 3.4Å; A135-I316 HydrophobicContact CB-CG1 3.93Å
136L98.9Very high98.8Very high18 Ų1820.9 Ų20.99%0.09411%0.107CC..Hα-helixtrans-60.7-36.6174.9-71173.9000112.8L132 I138 A140 G141 I316 F346L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.3Å; L132-L136 PolarHBondContact O-N 3.44Å; L136-I138 PolarHBondContact O-N 2.73Å; L136-A140 HydrophobicContact CD2-CB 4.45Å; L136-A140 WeakPolarHBondContact O-CA 3.36Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 3.4Å; L136-G141 PolarHBondContact O-N 3.09Å; L136-I316 HydrophobicContact CD2-CD1 4.13Å; L136-I316 HydrophobicContact CG-CD1 4.38Å; L136-F346 HydrophobicContact CD1-CD1 4.39Å; L136-F346 HydrophobicContact CD1-CD2 3.75Å; L136-F346 HydrophobicContact CD1-CE2 4.01Å; L136-F346 HydrophobicContact CD1-CG 3.96Å; L136-F346 HydrophobicContact CD1-CZ 4.44Å; L136-F346 HydrophobicContact CD2-CB 3.77Å; L136-F346 HydrophobicContact CD2-CD1 3.82Å; L136-F346 HydrophobicContact CD2-CD2 4.37Å; L136-F346 HydrophobicContact CD2-CG 3.71Å; L136-F346 HydrophobicContact CG-CG 4.47Å
137G98.9Very high98.7Very high0 Ų018.3 Ų18.30%010%0.097CC..Iπ-helixtrans-60.7-32.3174.200000113.5I133 S134 A135 G141 A142 L161I133-G137 PolarHBondContact O-N 3.43Å; S134-G137 PolarHBondContact O-N 3.39Å; S134-G137 VanDerWaalsContact O-N 3.16Å; A135-G137 VanDerWaalsContact C-N 3.29Å; A135-G137 PolarHBondContact O-N 2.83Å; G137-G141 WeakPolarHBondContact O-CA 3.37Å; G137-A142 PolarHBondContact O-N 2.84Å; G137-L161 WeakPolarHBondContact CA-O 3.3Å
138I98.9Very high98.7Very high6 Ų617.8 Ų17.83%0.0319%0.093CC..Iπ-helixtrans-80.6-57172.2-59.4-60000110.6S134 A135 L136 A142 H143 A168 Q170 W176S134-I138 PolarHBondContact O-N 2.9Å; S134-I138 VanDerWaalsContact O-N 3.16Å; A135-I138 PolarHBondContact O-N 3.19Å; L136-I138 PolarHBondContact O-N 2.73Å; I138-A142 PolarHBondContact O-N 2.66Å; I138-A142 VanDerWaalsContact O-N 3.11Å; I138-H143 VanDerWaalsContact O-CB 3.25Å; I138-H143 WeakPolarHBondContact O-CB 3.38Å; I138-H143 PolarHBondContact O-N 3.04Å; I138-A168 HydrophobicContact CD1-CB 3.64Å; I138-A168 HydrophobicContact CG1-CB 3.57Å; I138-Q170 HydrophobicContact CD1-CB 3.94Å; I138-Q170 HydrophobicContact CD1-CG 3.94Å; I138-W176 HydrophobicContact CG2-CZ2 3.93Å
139T98.8Very high98.7Very high7 Ų716 Ų164%0.0438%0.08CC..Iπ-helixtrans-74.6-58.4-16862.50000112.6A135 H143 R144 I316 E318 T343A135-T139 WeakPolarHBondContact O-CG2 3.47Å; A135-T139 PolarHBondContact O-N 3.15Å; A135-T139 PolarHBondContact O-OG1 3.08Å; A135-T139 VanDerWaalsContact O-OG1 3.07Å; T139-H143 WeakPolarHBondContact O-CB 3.24Å; T139-R144 WeakPolarHBondContact O-CB 3.35Å; T139-R144 WeakPolarHBondContact O-CD 3.33Å; T139-R144 WeakPolarHBondContact O-CG 3.21Å; T139-R144 PolarHBondContact O-N 3.48Å; T139-I316 HydrophobicContact CG2-CD1 4.26Å; T139-I316 HydrophobicContact CG2-CG1 4.02Å; T139-E318 VanDerWaalsContact CB-OE1 3.32Å; T139-E318 WeakPolarHBondContact CB-OE1 3.44Å; T139-E318 HydrophobicContact CG2-CG 3.47Å; T139-E318 VanDerWaalsContact CG2-CG 3.47Å; T139-T343 WeakPolarHBondContact CB-OG1 3.33Å; T139-T343 VanDerWaalsContact OG1-CG2 3.22Å; T139-T343 WeakPolarHBondContact OG1-CG2 3.14Å; T139-T343 PolarHBondContact OG1-OG1 3.23Å
140A98.8Very high98.7Very high0 Ų013.6 Ų13.60%07%0.065CC..Iπ-helixtrans-71.8-34177.400000111.6L136 L145 Y151 L161 T343 F346 I347L136-A140 HydrophobicContact CD2-CB 4.45Å; L136-A140 WeakPolarHBondContact O-CA 3.36Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 3.4Å; A140-L145 VanDerWaalsContact O-CB 3.25Å; A140-L145 WeakPolarHBondContact O-CB 3.46Å; A140-L145 PolarHBondContact O-N 3.46Å; A140-Y151 WeakPolarHBondContact O-CE1 3.35Å; A140-Y151 PolarHBondContact O-OH 3.13Å; A140-L161 HydrophobicContact CB-CD2 3.85Å; A140-T343 HydrophobicContact CB-CG2 3.86Å; A140-F346 HydrophobicContact CB-CD1 3.94Å; A140-F346 HydrophobicContact CB-CE1 4.08Å; A140-I347 HydrophobicContact CB-CD1 4.22Å; A140-I347 HydrophobicContact CB-CG1 4.08Å
141G98.8Very high98.7Very high0 Ų013.9 Ų13.90%07%0.066CC..Iπ-helixtrans-85.1-96.5179.700000113.3L136 G137 H143 L145 W146L136-G141 PolarHBondContact O-N 3.09Å; G137-G141 WeakPolarHBondContact O-CA 3.37Å; G141-H143 PolarHBondContact O-N 3.31Å; G141-H143 VanDerWaalsContact O-N 3.08Å; G141-L145 VanDerWaalsContact O-CB 3.29Å; G141-L145 WeakPolarHBondContact O-CB 3.33Å; G141-L145 PolarHBondContact O-N 3Å; G141-L145 VanDerWaalsContact O-N 3.14Å; G141-W146 PolarHBondContact O-N 3.19Å; G141-W146 VanDerWaalsContact O-N 3.13Å
142A98.9Very high98.7Very high0 Ų018 Ų180%08%0.084CC..Iπ-helixtrans-47.8-44.4-169.300000112.7G137 I138 S147 W176G137-A142 PolarHBondContact O-N 2.84Å; I138-A142 PolarHBondContact O-N 2.66Å; I138-A142 VanDerWaalsContact O-N 3.11Å; A142-S147 PolarHBondContact O-N 2.91Å; A142-S147 PolarHBondContact O-OG 2.95Å; A142-W176 HydrophobicContact CB-CD2 3.76Å; A142-W176 HydrophobicContact CB-CE3 3.66Å; A142-W176 HydrophobicContact CB-CG 4.16Å; A142-W176 HydrophobicContact CB-CZ3 4.2Å
143H98.8Very high98.7Very high11 Ų1116.1 Ų16.15%0.0518%0.077CC..Iπ-helixtrans-77.7-74.8-176.5-178.6-139.8000113.5I138 T139 G141 S147 H148 W176 H180 E318 H324I138-H143 VanDerWaalsContact O-CB 3.25Å; I138-H143 WeakPolarHBondContact O-CB 3.38Å; I138-H143 PolarHBondContact O-N 3.04Å; T139-H143 WeakPolarHBondContact O-CB 3.24Å; G141-H143 PolarHBondContact O-N 3.31Å; G141-H143 VanDerWaalsContact O-N 3.08Å; H143-S147 VanDerWaalsContact O-CB 3.27Å; H143-S147 WeakPolarHBondContact O-CB 3.4Å; H143-S147 PolarHBondContact O-N 2.65Å; H143-H148 AromaticContact CD2-CD2 3.4Å; H143-H148 PolarHBondContact CD2-CD2 2.86Å; H143-H148 AromaticContact CD2-NE2 3.49Å; H143-H148 PolarHBondContact CD2-NE2 3.13Å; H143-H148 AromaticContact NE2-CD2 3.57Å; H143-H148 AromaticContact NE2-NE2 3.45Å; H143-H148 PolarHBondContact NE2-NE2 3.45Å; H143-H148 PolarHBondContact O-CD2 3.22Å; H143-H148 PolarHBondContact O-N 3.39Å; H143-H148 VanDerWaalsContact O-N 3.15Å; H143-W176 HydrophobicContact CB-CH2 3.63Å; H143-W176 HydrophobicContact CB-CZ3 3.89Å; H143-H180 AromaticContact CD2-CD2 3.88Å; H143-H180 AromaticContact CD2-CE1 3.72Å; H143-H180 AromaticContact CD2-NE2 3.28Å; H143-H180 PolarHBondContact CD2-NE2 3.11Å; H143-H180 VanDerWaalsContact CD2-NE2 3.28Å; H143-H180 AromaticContact NE2-CE1 3.89Å; H143-H180 AromaticContact NE2-NE2 3.5Å; H143-E318 IonicContact CE1-OE2 3.8Å; H143-E318 PolarHBondContact CE1-OE2 2.89Å; H143-E318 IonicContact ND1-OE2 2.82Å; H143-E318 PolarHBondContact ND1-OE2 2.86Å; H143-H324 AromaticContact CD2-NE2 3.99Å; H143-H324 AromaticContact CE1-CE1 3.67Å; H143-H324 AromaticContact CE1-NE2 3.5Å; H143-H324 PolarHBondContact CE1-NE2 3.19Å; H143-H324 AromaticContact NE2-CD2 3.72Å; H143-H324 AromaticContact NE2-CE1 3.17Å; H143-H324 PolarHBondContact NE2-CE1 3.43Å; H143-H324 AromaticContact NE2-NE2 2.82Å; H143-H324 PolarHBondContact NE2-NE2 2.87Å
144R98.8Very high98.7Very high0 Ų016 Ų160%08%0.08CC..Iπ-helixtrans-72.9-34.6-169-64.1167.5-174.9-1417.2113.4T139 R149 T150 Y151 E318 Y331 A332 T333 N341 T343 T344T139-R144 WeakPolarHBondContact O-CB 3.35Å; T139-R144 WeakPolarHBondContact O-CD 3.33Å; T139-R144 WeakPolarHBondContact O-CG 3.21Å; T139-R144 PolarHBondContact O-N 3.48Å; R144-R149 PolarHBondContact O-N 3Å; R144-T150 PolarHBondContact O-N 3.49Å; R144-T150 PolarHBondContact O-OG1 2.65Å; R144-Y151 HydrophobicContact CB-CE1 4.13Å; R144-E318 IonicContact CZ-OE1 2.77Å; R144-E318 IonicContact NE-OE1 3.72Å; R144-E318 PolarHBondContact NE-OE1 2.67Å; R144-E318 IonicContact NE-OE2 3.54Å; R144-E318 IonicContact NH2-OE1 2.73Å; R144-E318 PolarHBondContact NH2-OE1 2.8Å; R144-E318 IonicContact NH2-OE2 3.65Å; R144-Y331 WeakPolarHBondContact CD-O 3.4Å; R144-Y331 PolarHBondContact NH1-O 3.2Å; R144-A332 VanDerWaalsContact NH1-C 3.3Å; R144-A332 PolarHBondContact NH1-O 3.04Å; R144-A332 VanDerWaalsContact NH1-O 3.16Å; R144-A332 PolarHBondContact NH2-O 3.28Å; R144-T333 HydrophobicContact CG-CG2 3.77Å; R144-T333 VanDerWaalsContact CZ-OG1 3.26Å; R144-T333 PolarHBondContact NH2-OG1 2.99Å; R144-N341 PolarHBondContact NH2-ND2 3.41Å; R144-N341 PolarHBondContact NH2-OD1 3.19Å; R144-N341 VanDerWaalsContact NH2-OD1 3.08Å; R144-T343 VanDerWaalsContact CZ-CG2 3.45Å; R144-T344 PolarHBondContact NH1-OG1 2.84Å
145L98.8Very high98.7Very high15 Ų1521 Ų218%0.07911%0.106CC..Iπ-helixtrans-84.8-59-178.2177.563.5000111.6A140 G141 R149 Y151 A153 R158 L161A140-L145 VanDerWaalsContact O-CB 3.25Å; A140-L145 WeakPolarHBondContact O-CB 3.46Å; A140-L145 PolarHBondContact O-N 3.46Å; G141-L145 VanDerWaalsContact O-CB 3.29Å; G141-L145 WeakPolarHBondContact O-CB 3.33Å; G141-L145 PolarHBondContact O-N 3Å; G141-L145 VanDerWaalsContact O-N 3.14Å; L145-R149 VanDerWaalsContact O-CA 3.25Å; L145-R149 WeakPolarHBondContact O-CA 3.38Å; L145-R149 PolarHBondContact O-N 2.98Å; L145-Y151 HydrophobicContact CB-CD1 4.5Å; L145-Y151 HydrophobicContact CB-CE1 3.67Å; L145-Y151 HydrophobicContact CD1-CD2 4.35Å; L145-Y151 HydrophobicContact CD1-CE1 4.25Å; L145-Y151 HydrophobicContact CD1-CE2 4.09Å; L145-Y151 VanDerWaalsContact CD1-O 3.3Å; L145-Y151 WeakPolarHBondContact CD1-O 3.41Å; L145-A153 HydrophobicContact CD1-CB 4.01Å; L145-A153 HydrophobicContact CD2-CB 3.82Å; L145-R158 HydrophobicContact CD2-CG 4.05Å; L145-L161 HydrophobicContact CD2-CD1 3.9Å
146W98.8Very high98.7Very high9 Ų924.4 Ų24.43%0.03413%0.127CC..Iπ-helixtrans-87.7-40-169.9-71.5-63.8000113.3G141 R158 L161 A162 I173 R181 L228 D231 V234G141-W146 PolarHBondContact O-N 3.19Å; G141-W146 VanDerWaalsContact O-N 3.13Å; W146-R158 HydrophobicContact CZ2-CB 4.26Å; W146-R158 HydrophobicContact CZ2-CG 4.28Å; W146-L161 HydrophobicContact CH2-CB 3.79Å; W146-L161 HydrophobicContact CZ3-CB 3.99Å; W146-A162 HydrophobicContact CH2-CB 4.12Å; W146-I173 HydrophobicContact CB-CG2 3.73Å; W146-I173 HydrophobicContact CD2-CD1 4.39Å; W146-I173 HydrophobicContact CD2-CG2 3.55Å; W146-I173 HydrophobicContact CE3-CD1 3.94Å; W146-I173 HydrophobicContact CE3-CG1 4.13Å; W146-I173 HydrophobicContact CE3-CG2 3.55Å; W146-I173 HydrophobicContact CG-CG2 3.63Å; W146-I173 HydrophobicContact CH2-CD1 3.68Å; W146-I173 HydrophobicContact CZ2-CD1 4.1Å; W146-I173 HydrophobicContact CZ3-CD1 3.58Å; W146-I173 HydrophobicContact CZ3-CG1 4.1Å; W146-I173 HydrophobicContact CZ3-CG2 4.33Å; W146-R181 PolarHBondContact O-NH2 3.49Å; W146-L228 HydrophobicContact CB-CD2 3.91Å; W146-L228 HydrophobicContact CG-CD2 4.36Å; W146-D231 PolarHBondContact NE1-OD2 3.29Å; W146-V234 HydrophobicContact CD2-CG2 4.27Å; W146-V234 HydrophobicContact CG-CG2 4.14Å; W146-V234 HydrophobicContact CZ2-CG2 4.45Å; W146-V234 VanDerWaalsContact NE1-CG2 3.32Å
147S98.5Very high98.7Very high0 Ų023.8 Ų23.80%012%0.124CC..Iπ-helixtrans-72.5-50.5176.8-58.70000112.4A142 H143 W176 A177 R181A142-S147 PolarHBondContact O-N 2.91Å; A142-S147 PolarHBondContact O-OG 2.95Å; H143-S147 VanDerWaalsContact O-CB 3.27Å; H143-S147 WeakPolarHBondContact O-CB 3.4Å; H143-S147 PolarHBondContact O-N 2.65Å; S147-W176 VanDerWaalsContact OG-CZ3 3.29Å; S147-W176 WeakPolarHBondContact OG-CZ3 3.32Å; S147-A177 VanDerWaalsContact OG-CA 3.22Å; S147-A177 WeakPolarHBondContact OG-CA 3.49Å; S147-A177 WeakPolarHBondContact OG-CB 3.25Å; S147-R181 PolarHBondContact O-NE 3.45Å
148H98.2Very high98.7Very high6 Ų626.6 Ų26.63%0.02814%0.135CC..THydrogen-bonded Turntrans-104-10.5-168.9-67.8-65.8000115.4D76 H143 T150 H180 H184 H324 P328D76-H148 WeakPolarHBondContact CB-ND1 3.24Å; D76-H148 IonicContact OD2-CE1 3.89Å; D76-H148 IonicContact OD2-CG 3.16Å; D76-H148 IonicContact OD2-ND1 3.96Å; D76-H148 PolarHBondContact OD2-ND1 2.96Å; H143-H148 AromaticContact CD2-CD2 3.4Å; H143-H148 PolarHBondContact CD2-CD2 2.86Å; H143-H148 AromaticContact CD2-NE2 3.49Å; H143-H148 PolarHBondContact CD2-NE2 3.13Å; H143-H148 AromaticContact NE2-CD2 3.57Å; H143-H148 AromaticContact NE2-NE2 3.45Å; H143-H148 PolarHBondContact NE2-NE2 3.45Å; H143-H148 PolarHBondContact O-CD2 3.22Å; H143-H148 PolarHBondContact O-N 3.39Å; H143-H148 VanDerWaalsContact O-N 3.15Å; H148-T150 HydrophobicContact CB-CG2 3.51Å; H148-T150 PolarHBondContact O-N 3.43Å; H148-T150 VanDerWaalsContact O-N 3.14Å; H148-H180 AromaticContact CD2-NE2 3.89Å; H148-H180 AromaticContact CE1-CD2 3.85Å; H148-H180 AromaticContact CE1-NE2 3.68Å; H148-H180 AromaticContact NE2-CD2 3.22Å; H148-H180 PolarHBondContact NE2-CD2 2.87Å; H148-H180 AromaticContact NE2-NE2 2.87Å; H148-H180 PolarHBondContact NE2-NE2 3.05Å; H148-H184 AromaticContact CE1-CD2 3.55Å; H148-H184 AromaticContact CE1-CE1 3.58Å; H148-H184 AromaticContact CE1-CG 3.8Å; H148-H184 AromaticContact CE1-ND1 3.82Å; H148-H184 AromaticContact CE1-NE2 3.39Å; H148-H184 PolarHBondContact CE1-NE2 3.35Å; H148-H184 AromaticContact NE2-CD2 3.82Å; H148-H184 AromaticContact NE2-CE1 3.9Å; H148-H184 AromaticContact NE2-NE2 3.39Å; H148-H184 PolarHBondContact NE2-NE2 3.49Å; H148-H324 AromaticContact CD2-CE1 3.65Å; H148-H324 AromaticContact CE1-CE1 3.75Å; H148-H324 AromaticContact NE2-CE1 3.24Å; H148-H324 PolarHBondContact NE2-CE1 2.89Å; H148-H324 AromaticContact NE2-NE2 3.37Å; H148-H324 PolarHBondContact NE2-NE2 3.33Å; H148-P328 WeakPolarHBondContact CB-O 3.46Å; H148-P328 PolarHBondContact ND1-O 3.3Å
149R97.9Very high98.7Very high73 Ų7330.3 Ų30.328%0.27515%0.154SC..  trans52.942.1175.1-49.1163.5-175.1144.5-17.5112.1R144 L145 R181 D227 K360R144-R149 PolarHBondContact O-N 3Å; L145-R149 VanDerWaalsContact O-CA 3.25Å; L145-R149 WeakPolarHBondContact O-CA 3.38Å; L145-R149 PolarHBondContact O-N 2.98Å; R149-R181 VanDerWaalsContact NH2-CZ 3.34Å; R149-D227 IonicContact CZ-OD1 3.69Å; R149-D227 IonicContact CZ-OD2 3.19Å; R149-D227 VanDerWaalsContact NE-CG 3.3Å; R149-D227 IonicContact NE-OD1 3.77Å; R149-D227 IonicContact NE-OD2 3.55Å; R149-D227 PolarHBondContact NE-OD2 3.31Å; R149-D227 IonicContact NH2-OD1 3.77Å; R149-D227 PolarHBondContact NH2-OD1 3.46Å; R149-D227 IonicContact NH2-OD2 2.66Å; R149-D227 PolarHBondContact NH2-OD2 3.32Å; R149-K360 WeakPolarHBondContact O-CE 3.32Å; R149-K360 PolarHBondContact O-NZ 2.87Å
150T98.3Very high98.7Very high1 Ų133.7 Ų33.71%0.00617%0.168CC..  trans-83.8-15.1-17361.40000113.6R144 H148 Y329 Y331 K360R144-T150 PolarHBondContact O-N 3.49Å; R144-T150 PolarHBondContact O-OG1 2.65Å; H148-T150 HydrophobicContact CB-CG2 3.51Å; H148-T150 PolarHBondContact O-N 3.43Å; H148-T150 VanDerWaalsContact O-N 3.14Å; T150-Y329 WeakPolarHBondContact CG2-O 3.45Å; T150-Y331 VanDerWaalsContact CB-CA 3.42Å; T150-Y331 WeakPolarHBondContact OG1-CA 3.28Å; T150-K360 WeakPolarHBondContact O-CB 3.47Å; T150-K360 WeakPolarHBondContact O-CG 3.43Å; T150-K360 PolarHBondContact O-N 3.41Å
151Y98.7Very high98.7Very high6 Ų633.7 Ų33.72%0.02417%0.168CC..SBendtrans-152.1169.9173.173.3-79.6000109.6A140 R144 L145 A153 L157 L161 I347 A356A140-Y151 WeakPolarHBondContact O-CE1 3.35Å; A140-Y151 PolarHBondContact O-OH 3.13Å; R144-Y151 HydrophobicContact CB-CE1 4.13Å; L145-Y151 HydrophobicContact CB-CD1 4.5Å; L145-Y151 HydrophobicContact CB-CE1 3.67Å; L145-Y151 HydrophobicContact CD1-CD2 4.35Å; L145-Y151 HydrophobicContact CD1-CE1 4.25Å; L145-Y151 HydrophobicContact CD1-CE2 4.09Å; L145-Y151 VanDerWaalsContact CD1-O 3.3Å; L145-Y151 WeakPolarHBondContact CD1-O 3.41Å; Y151-A153 HydrophobicContact CE2-CB 3.98Å; Y151-L157 HydrophobicContact CE2-CD2 4.41Å; Y151-L161 WeakPolarHBondContact OH-CD1 3.5Å; Y151-I347 HydrophobicContact CD1-CD1 4.33Å; Y151-I347 HydrophobicContact CD1-CG2 4.43Å; Y151-I347 HydrophobicContact CD2-CG2 4.19Å; Y151-I347 HydrophobicContact CE1-CD1 3.88Å; Y151-I347 HydrophobicContact CE1-CG1 4.31Å; Y151-I347 HydrophobicContact CE2-CG2 4.31Å; Y151-I347 HydrophobicContact CG-CG2 4.24Å; Y151-A356 HydrophobicContact CD2-CB 3.93Å; Y151-A356 HydrophobicContact CE2-CB 4.11Å
152K98.7Very high98.7Very high120 Ų12034 Ų3452%0.52217%0.171SC..EExtended strand (participates in β ladder)trans-110.7137.8173.5-63.4-176.1-168.3150.60110.3A356 K357 D358K152-A356 CarbonylContact O-C 3.49Å; K152-A356 VanDerWaalsContact O-CA 3.24Å; K152-A356 WeakPolarHBondContact O-CA 3.11Å; K152-K357 HydrophobicContact CB-CG 4.03Å; K152-K357 PolarHBondContact N-O 3.07Å; K152-K357 PolarHBondContact O-N 3.08Å; K152-D358 HydrophobicContact CD-CB 4.39Å; K152-D358 VanDerWaalsContact CD-OD2 3.23Å; K152-D358 WeakPolarHBondContact CD-OD2 3.46Å; K152-D358 VanDerWaalsContact CE-OD2 3.24Å; K152-D358 WeakPolarHBondContact CE-OD2 3.49Å; K152-D358 HydrophobicContact CG-CB 4.29Å; K152-D358 IonicContact NZ-OD2 3.27Å; K152-D358 PolarHBondContact NZ-OD2 2.8Å
153A98.7Very high98.7Very high18 Ų1836.7 Ų36.715%0.14919%0.187CC..EExtended strand (participates in β ladder)trans-115.7141.5178.400000111.4L145 Y151 L157 R158L145-A153 HydrophobicContact CD1-CB 4.01Å; L145-A153 HydrophobicContact CD2-CB 3.82Å; Y151-A153 HydrophobicContact CE2-CB 3.98Å; A153-L157 HydrophobicContact CB-CB 4.23Å; A153-L157 HydrophobicContact CB-CD2 3.76Å; A153-L157 HydrophobicContact CB-CG 3.99Å; A153-R158 HydrophobicContact CB-CG 3.73Å; A153-R158 WeakPolarHBondContact O-CD 2.97Å
154S98.7Very high98.7Very high37 Ų3736.1 Ų36.126%0.25918%0.184SC..  trans-63.7163168.764.10000111.4L157 R158 L355S154-L157 PolarHBondContact O-N 3.24Å; S154-R158 WeakPolarHBondContact O-CG 3.46Å; S154-R158 PolarHBondContact O-N 3.16Å; S154-L355 WeakPolarHBondContact CB-O 3.25Å; S154-L355 PolarHBondContact N-O 2.84Å; S154-L355 WeakPolarHBondContact OG-CA 3.3Å; S154-L355 WeakPolarHBondContact OG-CD2 3.43Å; S154-L355 PolarHBondContact OG-O 3.06Å
155L98.8Very high98.7Very high103 Ų10336.1 Ų36.154%0.53918%0.184SC..Hα-helixtrans-57.4-45.8179.7179.164.1000113.3L157 R158 I159 V233L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.35Å; L155-R158 PolarHBondContact O-N 3.27Å; L155-I159 HydrophobicContact CD1-CD1 3.95Å; L155-I159 HydrophobicContact CD1-CG1 4.14Å; L155-I159 HydrophobicContact CG-CD1 3.89Å; L155-I159 HydrophobicContact CG-CG1 4.49Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 3.07Å; L155-V233 HydrophobicContact CD1-CG2 3.62Å
156P98.7Very high98.7Very high83 Ų8335.6 Ų35.654%0.53918%0.181SC..Hα-helixtrans-58.9-43.3177.7-25.435.5000113I159 F160P156-I159 PolarHBondContact O-N 2.79Å; P156-F160 PolarHBondContact O-N 2.68Å
157L98.8Very high98.7Very high5 Ų535.4 Ų35.43%0.02618%0.181CC..Hα-helixtrans-66-42178.2178.757.7000111.6Y151 A153 S154 L155 I159 F160 L161 F346 M350 L355 A356Y151-L157 HydrophobicContact CE2-CD2 4.41Å; A153-L157 HydrophobicContact CB-CB 4.23Å; A153-L157 HydrophobicContact CB-CD2 3.76Å; A153-L157 HydrophobicContact CB-CG 3.99Å; S154-L157 PolarHBondContact O-N 3.24Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.35Å; L157-I159 VanDerWaalsContact C-N 3.32Å; L157-I159 PolarHBondContact O-N 2.82Å; L157-F160 HydrophobicContact CD1-CD1 4.23Å; L157-F160 PolarHBondContact O-N 3.19Å; L157-L161 HydrophobicContact CD1-CD1 4.05Å; L157-L161 HydrophobicContact CD1-CG 4.05Å; L157-L161 HydrophobicContact CG-CD1 3.99Å; L157-L161 HydrophobicContact CG-CG 4.42Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.34Å; L157-L161 PolarHBondContact O-N 3.46Å; L157-F346 HydrophobicContact CD1-CE1 4.04Å; L157-F346 HydrophobicContact CD1-CZ 3.8Å; L157-M350 HydrophobicContact CD1-CG 3.85Å; L157-M350 HydrophobicContact CD1-SD 3.9Å; L157-M350 HydrophobicContact CD2-CB 3.87Å; L157-M350 HydrophobicContact CD2-CG 3.95Å; L157-L355 HydrophobicContact CB-CB 4.33Å; L157-L355 HydrophobicContact CD2-CB 4.34Å; L157-A356 HydrophobicContact CD2-CB 3.89Å
158R98.9Very high98.7Very high59 Ų5935.4 Ų35.422%0.22318%0.181CC..Hα-helixtrans-59.9-41.7175-77.8171.953.7-164-12.5112.4L145 W146 A153 S154 L155 L161 A162 D231 V233L145-R158 HydrophobicContact CD2-CG 4.05Å; W146-R158 HydrophobicContact CZ2-CB 4.26Å; W146-R158 HydrophobicContact CZ2-CG 4.28Å; A153-R158 HydrophobicContact CB-CG 3.73Å; A153-R158 WeakPolarHBondContact O-CD 2.97Å; S154-R158 WeakPolarHBondContact O-CG 3.46Å; S154-R158 PolarHBondContact O-N 3.16Å; L155-R158 PolarHBondContact O-N 3.27Å; R158-L161 PolarHBondContact O-N 2.9Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.23Å; R158-D231 IonicContact CZ-OD1 3.37Å; R158-D231 IonicContact CZ-OD2 3.63Å; R158-D231 IonicContact NE-OD1 3.75Å; R158-D231 IonicContact NE-OD2 2.94Å; R158-D231 PolarHBondContact NE-OD2 3.09Å; R158-D231 VanDerWaalsContact NE-OD2 3.16Å; R158-D231 IonicContact NH1-OD2 3.81Å; R158-D231 IonicContact NH2-OD1 2.72Å; R158-D231 PolarHBondContact NH2-OD1 3.21Å; R158-D231 IonicContact NH2-OD2 3.65Å; R158-D231 PolarHBondContact NH2-OD2 3.4Å; R158-V233 HydrophobicContact CB-CG1 4.48Å; R158-V233 HydrophobicContact CB-CG2 4.3Å
159I98.9Very high98.7Very high84 Ų8435.2 Ų35.243%0.43118%0.18SC..Hα-helixtrans-63.8-47.7176.1-68.7167.3000110.3L155 P156 L157 L161 A162 V163 V233L155-I159 HydrophobicContact CD1-CD1 3.95Å; L155-I159 HydrophobicContact CD1-CG1 4.14Å; L155-I159 HydrophobicContact CG-CD1 3.89Å; L155-I159 HydrophobicContact CG-CG1 4.49Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 3.07Å; P156-I159 PolarHBondContact O-N 2.79Å; L157-I159 VanDerWaalsContact C-N 3.32Å; L157-I159 PolarHBondContact O-N 2.82Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.26Å; I159-A162 PolarHBondContact O-N 3.23Å; I159-V163 WeakPolarHBondContact O-CG2 3.36Å; I159-V163 PolarHBondContact O-N 2.81Å; I159-V233 HydrophobicContact CG1-CG2 4.28Å
160F98.9Very high98.7Very high78 Ų7832.6 Ų32.634%0.34217%0.171SC..Hα-helixtrans-55.5-47.7176.6169.7-97.9000111.9P156 L157 A162 V163 G164 F346P156-F160 PolarHBondContact O-N 2.68Å; L157-F160 HydrophobicContact CD1-CD1 4.23Å; L157-F160 PolarHBondContact O-N 3.19Å; F160-A162 PolarHBondContact O-N 3.06Å; F160-V163 WeakPolarHBondContact O-CB 3.4Å; F160-V163 PolarHBondContact O-N 2.87Å; F160-G164 PolarHBondContact O-N 2.91Å; F160-F346 HydrophobicContact CD1-CZ 4.06Å; F160-F346 HydrophobicContact CE1-CE2 4.03Å; F160-F346 AromaticContact CE1-CZ 3.62Å; F160-F346 HydrophobicContact CE1-CZ 3.62Å
161L98.9Very high98.6Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-66.5-35.4179.3-67.3173.1000112.5G137 A140 L145 W146 Y151 L157 R158 I159 G164 N165 F346G137-L161 WeakPolarHBondContact CA-O 3.3Å; A140-L161 HydrophobicContact CB-CD2 3.85Å; L145-L161 HydrophobicContact CD2-CD1 3.9Å; W146-L161 HydrophobicContact CH2-CB 3.79Å; W146-L161 HydrophobicContact CZ3-CB 3.99Å; Y151-L161 WeakPolarHBondContact OH-CD1 3.5Å; L157-L161 HydrophobicContact CD1-CD1 4.05Å; L157-L161 HydrophobicContact CD1-CG 4.05Å; L157-L161 HydrophobicContact CG-CD1 3.99Å; L157-L161 HydrophobicContact CG-CG 4.42Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.34Å; L157-L161 PolarHBondContact O-N 3.46Å; R158-L161 PolarHBondContact O-N 2.9Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.26Å; L161-G164 PolarHBondContact O-N 2.95Å; L161-N165 WeakPolarHBondContact O-CB 3.44Å; L161-N165 PolarHBondContact O-N 3.16Å; L161-F346 HydrophobicContact CD2-CE1 4.09Å
162A98.9Very high98.5Very high7 Ų733.3 Ų33.36%0.05818%0.175CC..Hα-helixtrans-69.4-34.6175.800000112.8W146 R158 I159 F160 S166 I173 V233W146-A162 HydrophobicContact CH2-CB 4.12Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.23Å; I159-A162 PolarHBondContact O-N 3.23Å; F160-A162 PolarHBondContact O-N 3.06Å; A162-S166 PolarHBondContact O-N 3.49Å; A162-S166 PolarHBondContact O-OG 3.37Å; A162-I173 HydrophobicContact CB-CD1 3.83Å; A162-V233 HydrophobicContact CB-CG1 3.64Å
163V98.7Very high98.5Very high55 Ų5527.6 Ų27.633%0.33315%0.15SC..Hα-helixtrans-65.1-46.2170.5169.50000110.3I159 F160 N165 S166 M167 M248I159-V163 WeakPolarHBondContact O-CG2 3.36Å; I159-V163 PolarHBondContact O-N 2.81Å; F160-V163 WeakPolarHBondContact O-CB 3.4Å; F160-V163 PolarHBondContact O-N 2.87Å; V163-N165 PolarHBondContact O-N 3.5Å; V163-S166 PolarHBondContact O-N 3.01Å; V163-M167 PolarHBondContact O-N 2.92Å; V163-M248 HydrophobicContact CG1-CE 3.37Å; V163-M248 HydrophobicContact CG1-CG 4.28Å; V163-M248 HydrophobicContact CG1-SD 3.82Å
164G98.8Very high98.5Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-58.3-44.3173.700000112.8I133 F160 L161 S166 M167 A168I133-G164 WeakPolarHBondContact O-CA 3.49Å; F160-G164 PolarHBondContact O-N 2.91Å; L161-G164 PolarHBondContact O-N 2.95Å; G164-S166 VanDerWaalsContact C-N 3.33Å; G164-S166 PolarHBondContact O-N 2.91Å; G164-M167 WeakPolarHBondContact O-CB 3.5Å; G164-M167 PolarHBondContact O-N 3.24Å; G164-M167 VanDerWaalsContact O-N 3.12Å; G164-A168 PolarHBondContact O-N 3.2Å
165N98.8Very high98.5Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-62-40.2176.2177.6-91.8000111.9L161 V163 M167 A168 F169 I173 Q237L161-N165 WeakPolarHBondContact O-CB 3.44Å; L161-N165 PolarHBondContact O-N 3.16Å; V163-N165 PolarHBondContact O-N 3.5Å; N165-M167 VanDerWaalsContact C-N 3.31Å; N165-M167 PolarHBondContact O-N 3.45Å; N165-A168 WeakPolarHBondContact O-CB 3.32Å; N165-A168 PolarHBondContact O-N 2.64Å; N165-A168 VanDerWaalsContact O-N 3.13Å; N165-F169 PolarHBondContact O-N 2.95Å; N165-F169 VanDerWaalsContact O-N 3.09Å; N165-I173 HydrophobicContact CB-CG1 4.19Å; N165-Q237 PolarHBondContact OD1-NE2 3.01Å
166S98.6Very high98.5Very high3 Ų323.8 Ų23.82%0.02112%0.121CC..Hα-helixtrans-64.8-34.5174.7-57.40000112.3A162 V163 G164 A168 Q237 S244A162-S166 PolarHBondContact O-N 3.49Å; A162-S166 PolarHBondContact O-OG 3.37Å; V163-S166 PolarHBondContact O-N 3.01Å; G164-S166 VanDerWaalsContact C-N 3.33Å; G164-S166 PolarHBondContact O-N 2.91Å; S166-A168 VanDerWaalsContact C-N 3.32Å; S166-Q237 PolarHBondContact OG-NE2 3.05Å; S166-S244 PolarHBondContact OG-OG 3.44Å; S166-S244 VanDerWaalsContact OG-OG 3.06Å
167M98.7Very high98.5Very high5 Ų519.9 Ų19.93%0.02510%0.095CC..Hα-helixtrans-68.1-32.2172.6-170.4-179.7-69.900112.4C130 I133 S134 V163 G164 N165 M248 C249 R276C130-M167 HydrophobicContact CB-SD 3.76Å; I133-M167 HydrophobicContact CB-SD 4.14Å; I133-M167 HydrophobicContact CG2-CE 4.2Å; I133-M167 HydrophobicContact CG2-SD 4.07Å; S134-M167 WeakPolarHBondContact OG-CG 3.41Å; V163-M167 PolarHBondContact O-N 2.92Å; G164-M167 WeakPolarHBondContact O-CB 3.5Å; G164-M167 PolarHBondContact O-N 3.24Å; G164-M167 VanDerWaalsContact O-N 3.12Å; N165-M167 VanDerWaalsContact C-N 3.31Å; N165-M167 PolarHBondContact O-N 3.45Å; M167-M248 HydrophobicContact CB-CB 4.09Å; M167-M248 HydrophobicContact CE-CE 3.64Å; M167-M248 WeakPolarHBondContact CG-O 3.4Å; M167-C249 WeakPolarHBondContact O-CB 3.21Å; M167-C249 PolarHBondContact O-SG 3.2Å; M167-R276 PolarHBondContact O-NH1 3.13Å
168A98.6Very high98.4Very high0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-75-26.4178.200000113.7I138 G164 N165 S166 Q170 Y277 V280I138-A168 HydrophobicContact CD1-CB 3.64Å; I138-A168 HydrophobicContact CG1-CB 3.57Å; G164-A168 PolarHBondContact O-N 3.2Å; N165-A168 WeakPolarHBondContact O-CB 3.32Å; N165-A168 PolarHBondContact O-N 2.64Å; N165-A168 VanDerWaalsContact O-N 3.13Å; S166-A168 VanDerWaalsContact C-N 3.32Å; A168-Q170 WeakPolarHBondContact O-CG 3.11Å; A168-Y277 VanDerWaalsContact O-CE2 3.27Å; A168-Y277 WeakPolarHBondContact O-CE2 3.32Å; A168-V280 HydrophobicContact CB-CG1 4.27Å
169F98.3Very high98.3Very high2 Ų219.7 Ų19.71%0.00910%0.095CC..THydrogen-bonded Turntrans5160.6174.9-174.5-166.8000113.8F11 Y14 N165 Y241 V245 C249 F250 Y277F11-F169 AromaticContact CD1-CE1 3.66Å; F11-F169 HydrophobicContact CD1-CE1 3.66Å; F11-F169 HydrophobicContact CD1-CZ 4.27Å; F11-F169 AromaticContact CE1-CE1 3.94Å; F11-F169 HydrophobicContact CE1-CE1 3.94Å; Y14-F169 AromaticContact CD1-CE1 3.97Å; Y14-F169 HydrophobicContact CD1-CE1 3.97Å; Y14-F169 AromaticContact CD1-CE2 3.43Å; Y14-F169 HydrophobicContact CD1-CE2 3.43Å; Y14-F169 VanDerWaalsContact CD1-CE2 3.43Å; Y14-F169 AromaticContact CD1-CZ 3.02Å; Y14-F169 HydrophobicContact CD1-CZ 3.02Å; Y14-F169 HydrophobicContact CE1-CD2 4.19Å; Y14-F169 HydrophobicContact CE1-CE1 4.01Å; Y14-F169 AromaticContact CE1-CE2 3.29Å; Y14-F169 HydrophobicContact CE1-CE2 3.29Å; Y14-F169 AromaticContact CE1-CZ 3.22Å; Y14-F169 HydrophobicContact CE1-CZ 3.22Å; Y14-F169 HydrophobicContact CG-CE1 4.46Å; Y14-F169 AromaticContact CG-CZ 3.8Å; Y14-F169 HydrophobicContact CG-CZ 3.8Å; N165-F169 PolarHBondContact O-N 2.95Å; N165-F169 VanDerWaalsContact O-N 3.09Å; F169-Y241 VanDerWaalsContact CD2-OH 3.31Å; F169-Y241 WeakPolarHBondContact CD2-OH 3.46Å; F169-Y241 HydrophobicContact CE2-CE1 4.46Å; F169-V245 HydrophobicContact CB-CG1 3.93Å; F169-V245 HydrophobicContact CB-CG2 4.35Å; F169-V245 HydrophobicContact CD1-CG1 3.46Å; F169-V245 VanDerWaalsContact CD1-CG1 3.46Å; F169-V245 HydrophobicContact CD2-CB 4.3Å; F169-V245 HydrophobicContact CD2-CG1 3.5Å; F169-V245 VanDerWaalsContact CD2-CG1 3.5Å; F169-V245 HydrophobicContact CD2-CG2 3.81Å; F169-V245 HydrophobicContact CE1-CG1 3.62Å; F169-V245 HydrophobicContact CE2-CB 4.48Å; F169-V245 HydrophobicContact CE2-CG1 3.64Å; F169-V245 HydrophobicContact CE2-CG2 4.26Å; F169-V245 HydrophobicContact CG-CB 4.44Å; F169-V245 HydrophobicContact CG-CG1 3.35Å; F169-V245 HydrophobicContact CG-CG2 4.19Å; F169-V245 HydrophobicContact CZ-CG1 3.66Å; F169-C249 HydrophobicContact CB-CB 4.08Å; F169-F250 AromaticContact CD1-CE2 3.73Å; F169-F250 HydrophobicContact CD1-CE2 3.73Å; F169-F250 AromaticContact CD1-CZ 3.85Å; F169-F250 HydrophobicContact CD1-CZ 3.85Å; F169-F250 AromaticContact CE1-CE2 3.64Å; F169-F250 HydrophobicContact CE1-CE2 3.64Å; F169-F250 AromaticContact CE1-CZ 3.85Å; F169-F250 HydrophobicContact CE1-CZ 3.85Å; F169-Y277 HydrophobicContact CB-CD2 4.39Å; F169-Y277 HydrophobicContact CB-CE2 3.63Å; F169-Y277 AromaticContact CD1-CE1 3.73Å; F169-Y277 HydrophobicContact CD1-CE1 3.73Å; F169-Y277 HydrophobicContact CD1-CE2 4Å; F169-Y277 AromaticContact CD1-CZ 3.37Å; F169-Y277 WeakPolarHBondContact CD1-OH 3.36Å; F169-Y277 HydrophobicContact CE1-CE1 4.3Å; F169-Y277 HydrophobicContact CG-CE2 4.09Å; F169-Y277 AromaticContact CG-CZ 3.79Å; F169-Y277 WeakPolarHBondContact CG-OH 3.31Å; F169-Y277 PolarHBondContact O-OH 2.89Å
170Q97.6Very high98.3Very high18 Ų1816.3 Ų16.38%0.0848%0.077CC..SBendtrans-119.534.2179.4-58.9-168.89.700113.2I138 A168 W176 L281 T284I138-Q170 HydrophobicContact CD1-CB 3.94Å; I138-Q170 HydrophobicContact CD1-CG 3.94Å; A168-Q170 WeakPolarHBondContact O-CG 3.11Å; Q170-W176 VanDerWaalsContact O-CD1 3.29Å; Q170-L281 HydrophobicContact CG-CD2 3.9Å; Q170-T284 PolarHBondContact NE2-OG1 3.46Å
171N96.2Very high98.3Very high11 Ų1112.6 Ų12.66%0.0596%0.061CC..SBendtrans78162.5-163.5-50.1-44.2000113F17 E175 Y241F17-N171 VanDerWaalsContact CD1-OD1 3.28Å; F17-N171 WeakPolarHBondContact CD1-OD1 3.05Å; N171-E175 HydrophobicContact CB-CB 4.15Å; N171-E175 HydrophobicContact CB-CG 4.15Å; N171-Y241 VanDerWaalsContact CA-CZ 3.5Å; N171-Y241 WeakPolarHBondContact CA-OH 3.39Å; N171-Y241 PolarHBondContact N-OH 2.95Å; N171-Y241 PolarHBondContact O-OH 2.89Å
172D98.3Very high98.2Very high11 Ų1112.6 Ų12.66%0.0596%0.061CC..  trans-64.9158.2177.569.695.8000110.7F174 E175 W176 Q237 R238 Y241D172-F174 PolarHBondContact O-N 2.92Å; D172-F174 VanDerWaalsContact O-N 3.15Å; D172-F174 VanDerWaalsContact OD1-CB 3.3Å; D172-F174 WeakPolarHBondContact OD1-CB 3.35Å; D172-F174 PolarHBondContact OD1-N 2.83Å; D172-E175 PolarHBondContact O-N 3.47Å; D172-E175 VanDerWaalsContact O-N 3.16Å; D172-E175 PolarHBondContact OD1-N 3.47Å; D172-W176 PolarHBondContact O-N 3.35Å; D172-Q237 VanDerWaalsContact CB-OE1 3.28Å; D172-R238 HydrophobicContact CB-CB 4.29Å; D172-R238 HydrophobicContact CB-CG 4.44Å; D172-R238 WeakPolarHBondContact OD1-CG 3.42Å; D172-R238 IonicContact OD1-CZ 3.56Å; D172-R238 IonicContact OD1-NH1 2.61Å; D172-R238 PolarHBondContact OD1-NH1 3.16Å; D172-R238 IonicContact OD2-CZ 3.09Å; D172-R238 IonicContact OD2-NH1 2.88Å; D172-R238 PolarHBondContact OD2-NH1 2.9Å; D172-Y241 HydrophobicContact CB-CD1 4.3Å; D172-Y241 HydrophobicContact CB-CD2 3.67Å; D172-Y241 HydrophobicContact CB-CE2 4.05Å; D172-Y241 HydrophobicContact CB-CG 3.82Å; D172-Y241 VanDerWaalsContact N-CZ 3.34Å
173I98.8Very high98.1Very high0 Ų012.3 Ų12.30%06%0.058CC..Hα-helixtrans-57.4-37.5-172.2-64.3159.5000111.3W146 A162 N165 A177 V234 Q237W146-I173 HydrophobicContact CB-CG2 3.73Å; W146-I173 HydrophobicContact CD2-CD1 4.39Å; W146-I173 HydrophobicContact CD2-CG2 3.55Å; W146-I173 HydrophobicContact CE3-CD1 3.94Å; W146-I173 HydrophobicContact CE3-CG1 4.13Å; W146-I173 HydrophobicContact CE3-CG2 3.55Å; W146-I173 HydrophobicContact CG-CG2 3.63Å; W146-I173 HydrophobicContact CH2-CD1 3.68Å; W146-I173 HydrophobicContact CZ2-CD1 4.1Å; W146-I173 HydrophobicContact CZ3-CD1 3.58Å; W146-I173 HydrophobicContact CZ3-CG1 4.1Å; W146-I173 HydrophobicContact CZ3-CG2 4.33Å; A162-I173 HydrophobicContact CB-CD1 3.83Å; N165-I173 HydrophobicContact CB-CG1 4.19Å; I173-A177 VanDerWaalsContact O-CB 3.22Å; I173-A177 WeakPolarHBondContact O-CB 3.26Å; I173-A177 PolarHBondContact O-N 3.34Å; I173-V234 HydrophobicContact CB-CG1 4.24Å; I173-V234 HydrophobicContact CB-CG2 4.34Å; I173-V234 HydrophobicContact CD1-CG2 4.48Å; I173-V234 HydrophobicContact CG2-CG1 4.26Å; I173-V234 HydrophobicContact CG2-CG2 3.84Å; I173-Q237 HydrophobicContact CD1-CB 4.43Å; I173-Q237 HydrophobicContact CD1-CG 4.37Å
174F98.6Very high98.1Very high26 Ų269.8 Ų9.811%0.1144%0.043CC..Hα-helixtrans-66.1-48.7-179.5178.9-82.6000111.5D172 A177 R178 L225 L228 L229 V234D172-F174 PolarHBondContact O-N 2.92Å; D172-F174 VanDerWaalsContact O-N 3.15Å; D172-F174 VanDerWaalsContact OD1-CB 3.3Å; D172-F174 WeakPolarHBondContact OD1-CB 3.35Å; D172-F174 PolarHBondContact OD1-N 2.83Å; F174-A177 PolarHBondContact O-N 3.3Å; F174-R178 WeakPolarHBondContact O-CB 3.44Å; F174-R178 PolarHBondContact O-N 3Å; F174-L225 HydrophobicContact CE1-CD1 4.21Å; F174-L225 HydrophobicContact CE2-CB 4.07Å; F174-L225 HydrophobicContact CE2-CD1 4.08Å; F174-L225 HydrophobicContact CZ-CB 4.3Å; F174-L225 HydrophobicContact CZ-CD1 3.56Å; F174-L228 HydrophobicContact CD2-CB 3.67Å; F174-L228 HydrophobicContact CD2-CD1 4.17Å; F174-L228 HydrophobicContact CE2-CB 4.1Å; F174-L229 HydrophobicContact CD2-CD2 4.3Å; F174-L229 HydrophobicContact CE2-CD2 3.6Å; F174-L229 HydrophobicContact CE2-CG 3.88Å; F174-L229 HydrophobicContact CZ-CD2 4.17Å; F174-V234 HydrophobicContact CB-CG1 3.95Å
175E97.6Very high97.9Very high16 Ų1611.7 Ų11.78%0.0755%0.051CC..Hα-helixtrans-64.2-43.6178178165.8-174.300111.6R18 N171 D172 A177 R178 D179 K212R18-E175 WeakPolarHBondContact CD-OE1 3.35Å; R18-E175 IonicContact NH1-OE1 2.69Å; N171-E175 HydrophobicContact CB-CB 4.15Å; N171-E175 HydrophobicContact CB-CG 4.15Å; D172-E175 PolarHBondContact O-N 3.47Å; D172-E175 VanDerWaalsContact O-N 3.16Å; D172-E175 PolarHBondContact OD1-N 3.47Å; E175-A177 PolarHBondContact O-N 2.95Å; E175-R178 PolarHBondContact O-N 2.97Å; E175-R178 IonicContact OE1-NH2 3.52Å; E175-D179 WeakPolarHBondContact O-CB 3.38Å; E175-D179 PolarHBondContact O-N 3.47Å; E175-K212 IonicContact OE1-NZ 2.65Å
176W98.6Very high97.8Very high37 Ų3712.5 Ų12.514%0.145%0.054CC..Hα-helixtrans-58.7-49.7178-164.4103.1000110.8I138 A142 H143 S147 Q170 D172 D179 H180I138-W176 HydrophobicContact CG2-CZ2 3.93Å; A142-W176 HydrophobicContact CB-CD2 3.76Å; A142-W176 HydrophobicContact CB-CE3 3.66Å; A142-W176 HydrophobicContact CB-CG 4.16Å; A142-W176 HydrophobicContact CB-CZ3 4.2Å; H143-W176 HydrophobicContact CB-CH2 3.63Å; H143-W176 HydrophobicContact CB-CZ3 3.89Å; S147-W176 VanDerWaalsContact OG-CZ3 3.29Å; S147-W176 WeakPolarHBondContact OG-CZ3 3.32Å; Q170-W176 VanDerWaalsContact O-CD1 3.29Å; D172-W176 PolarHBondContact O-N 3.35Å; W176-D179 PolarHBondContact O-N 3.47Å; W176-H180 HydrophobicContact CE3-CB 3.84Å; W176-H180 HydrophobicContact CH2-CB 4.16Å; W176-H180 AromaticContact CH2-CG 3.72Å; W176-H180 AromaticContact CH2-ND1 3.54Å; W176-H180 HydrophobicContact CZ3-CB 3.54Å; W176-H180 AromaticContact CZ3-CD2 3.98Å; W176-H180 AromaticContact CZ3-CG 3.44Å; W176-H180 VanDerWaalsContact CZ3-CG 3.44Å; W176-H180 AromaticContact CZ3-ND1 3.79Å; W176-H180 VanDerWaalsContact O-CB 3.3Å; W176-H180 WeakPolarHBondContact O-CB 3.47Å; W176-H180 PolarHBondContact O-N 2.98Å
177A98.5Very high97.6Very high0 Ų012.4 Ų12.40%05%0.054CC..Hα-helixtrans-68.1-37.7-177.400000113.2S147 I173 F174 E175 H180 R181 L228S147-A177 VanDerWaalsContact OG-CA 3.22Å; S147-A177 WeakPolarHBondContact OG-CA 3.49Å; S147-A177 WeakPolarHBondContact OG-CB 3.25Å; I173-A177 VanDerWaalsContact O-CB 3.22Å; I173-A177 WeakPolarHBondContact O-CB 3.26Å; I173-A177 PolarHBondContact O-N 3.34Å; F174-A177 PolarHBondContact O-N 3.3Å; E175-A177 PolarHBondContact O-N 2.95Å; A177-H180 PolarHBondContact O-N 2.87Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 VanDerWaalsContact O-CG 3.31Å; A177-R181 WeakPolarHBondContact O-CG 3.2Å; A177-R181 PolarHBondContact O-N 3.28Å; A177-L228 HydrophobicContact CB-CD1 3.62Å; A177-L228 HydrophobicContact CB-CD2 4.36Å
178R97.9Very high97.4Very high50 Ų5013.1 Ų13.119%0.1896%0.057CC..Hα-helixtrans-59.2-54.5172.3-179.7-164.869.5-164.2-8.6110.7F174 E175 H180 R181 V182 K212 L223 L225F174-R178 WeakPolarHBondContact O-CB 3.44Å; F174-R178 PolarHBondContact O-N 3Å; E175-R178 PolarHBondContact O-N 2.97Å; E175-R178 IonicContact OE1-NH2 3.52Å; R178-H180 PolarHBondContact O-N 3.11Å; R178-R181 PolarHBondContact O-N 3.48Å; R178-V182 WeakPolarHBondContact O-CG2 3.38Å; R178-V182 PolarHBondContact O-N 3.22Å; R178-K212 VanDerWaalsContact NH2-NZ 3.19Å; R178-L223 HydrophobicContact CG-CD1 4.3Å; R178-L225 HydrophobicContact CB-CD1 4.06Å; R178-L225 HydrophobicContact CG-CD1 3.88Å
179D97Very high97.3Very high10 Ų1014 Ų145%0.0536%0.063CC..Hα-helixtrans-61.4-36.6-177.7-75.410.4000111.1R18 E175 W176 V182 H183 P193 K212R18-D179 IonicContact NH1-OD2 3.49Å; E175-D179 WeakPolarHBondContact O-CB 3.38Å; E175-D179 PolarHBondContact O-N 3.47Å; W176-D179 PolarHBondContact O-N 3.47Å; D179-V182 PolarHBondContact O-N 3.37Å; D179-H183 WeakPolarHBondContact O-CB 3.28Å; D179-H183 PolarHBondContact O-N 3.39Å; D179-P193 HydrophobicContact CB-CG 4.14Å; D179-K212 IonicContact OD1-NZ 2.86Å; D179-K212 PolarHBondContact OD1-NZ 3.45Å; D179-K212 VanDerWaalsContact OD2-CE 3.28Å; D179-K212 WeakPolarHBondContact OD2-CE 3.39Å; D179-K212 IonicContact OD2-NZ 3.91Å; D179-K212 PolarHBondContact OD2-NZ 2.81Å
180H98.3Very high97.2Very high14 Ų1414.2 Ų14.27%0.0656%0.064CC..Hα-helixtrans-68.9-39.9177.2-165.872.8000113.5H143 H148 W176 A177 R178 H183 H184 H324H143-H180 AromaticContact CD2-CD2 3.88Å; H143-H180 AromaticContact CD2-CE1 3.72Å; H143-H180 AromaticContact CD2-NE2 3.28Å; H143-H180 PolarHBondContact CD2-NE2 3.11Å; H143-H180 VanDerWaalsContact CD2-NE2 3.28Å; H143-H180 AromaticContact NE2-CE1 3.89Å; H143-H180 AromaticContact NE2-NE2 3.5Å; H148-H180 AromaticContact CD2-NE2 3.89Å; H148-H180 AromaticContact CE1-CD2 3.85Å; H148-H180 AromaticContact CE1-NE2 3.68Å; H148-H180 AromaticContact NE2-CD2 3.22Å; H148-H180 PolarHBondContact NE2-CD2 2.87Å; H148-H180 AromaticContact NE2-NE2 2.87Å; H148-H180 PolarHBondContact NE2-NE2 3.05Å; W176-H180 HydrophobicContact CE3-CB 3.84Å; W176-H180 HydrophobicContact CH2-CB 4.16Å; W176-H180 AromaticContact CH2-CG 3.72Å; W176-H180 AromaticContact CH2-ND1 3.54Å; W176-H180 HydrophobicContact CZ3-CB 3.54Å; W176-H180 AromaticContact CZ3-CD2 3.98Å; W176-H180 AromaticContact CZ3-CG 3.44Å; W176-H180 VanDerWaalsContact CZ3-CG 3.44Å; W176-H180 AromaticContact CZ3-ND1 3.79Å; W176-H180 VanDerWaalsContact O-CB 3.3Å; W176-H180 WeakPolarHBondContact O-CB 3.47Å; W176-H180 PolarHBondContact O-N 2.98Å; A177-H180 PolarHBondContact O-N 2.87Å; R178-H180 PolarHBondContact O-N 3.11Å; H180-H183 WeakPolarHBondContact O-CB 3.48Å; H180-H183 PolarHBondContact O-N 2.82Å; H180-H184 AromaticContact CD2-CD2 3.61Å; H180-H184 AromaticContact CD2-NE2 3.91Å; H180-H184 AromaticContact CE1-CD2 3.64Å; H180-H184 AromaticContact CE1-NE2 3.48Å; H180-H184 PolarHBondContact CE1-NE2 3.01Å; H180-H184 AromaticContact NE2-CD2 3.11Å; H180-H184 PolarHBondContact NE2-CD2 3.35Å; H180-H184 AromaticContact NE2-NE2 2.97Å; H180-H184 PolarHBondContact NE2-NE2 2.95Å; H180-H184 PolarHBondContact O-CD2 2.66Å; H180-H184 PolarHBondContact O-N 3.11Å; H180-H324 AromaticContact NE2-NE2 3.94Å
181R98.2Very high97.1Very high0 Ų013.3 Ų13.30%06%0.06CC..Hα-helixtrans-63.1-42.8173.4-74.4175.7-172.1172.611.1111.3W146 S147 R149 A177 R178 H183 H184 K185 L223 E224 L225 D227W146-R181 PolarHBondContact O-NH2 3.49Å; S147-R181 PolarHBondContact O-NE 3.45Å; R149-R181 VanDerWaalsContact NH2-CZ 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 VanDerWaalsContact O-CG 3.31Å; A177-R181 WeakPolarHBondContact O-CG 3.2Å; A177-R181 PolarHBondContact O-N 3.28Å; R178-R181 PolarHBondContact O-N 3.48Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 3.17Å; R181-H184 PolarHBondContact O-N 3.06Å; R181-K185 WeakPolarHBondContact O-CB 3.22Å; R181-K185 PolarHBondContact O-N 2.82Å; R181-L223 HydrophobicContact CB-CD1 3.6Å; R181-E224 PolarHBondContact NH1-O 3.32Å; R181-L225 VanDerWaalsContact NH1-CD2 3.27Å; R181-D227 IonicContact CZ-OD1 3.56Å; R181-D227 IonicContact CZ-OD2 3.17Å; R181-D227 IonicContact NH1-OD1 2.81Å; R181-D227 PolarHBondContact NH1-OD1 3.45Å; R181-D227 IonicContact NH1-OD2 2.71Å; R181-D227 IonicContact NH2-OD1 2.79Å; R181-D227 PolarHBondContact NH2-OD1 3.22Å; R181-D227 IonicContact NH2-OD2 3.28Å; R181-D227 PolarHBondContact NH2-OD2 2.98Å
182V96.9Very high97.2Very high0 Ų013 Ų130%06%0.058CC..Hα-helixtrans-59.5-44.7172.91790000110.8R178 D179 K185 Y186 A191 L223R178-V182 WeakPolarHBondContact O-CG2 3.38Å; R178-V182 PolarHBondContact O-N 3.22Å; D179-V182 PolarHBondContact O-N 3.37Å; V182-K185 PolarHBondContact O-N 3.24Å; V182-Y186 HydrophobicContact CG1-CD2 4.01Å; V182-Y186 PolarHBondContact O-N 3.37Å; V182-A191 WeakPolarHBondContact CG1-O 3.28Å; V182-L223 HydrophobicContact CB-CD1 4.5Å; V182-L223 HydrophobicContact CG2-CD1 3.48Å; V182-L223 VanDerWaalsContact CG2-CD1 3.48Å; V182-L223 HydrophobicContact CG2-CG 4.2Å
183H97.9Very high97.1Very high0 Ų012.8 Ų12.80%06%0.057CC..Hα-helixtrans-56.5-50.6177.5168.966.4000111.6D179 H180 R181 K185 S187 D192 H194 H292 H325D179-H183 WeakPolarHBondContact O-CB 3.28Å; D179-H183 PolarHBondContact O-N 3.39Å; H180-H183 WeakPolarHBondContact O-CB 3.48Å; H180-H183 PolarHBondContact O-N 2.82Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 3.17Å; H183-K185 PolarHBondContact O-N 3.08Å; H183-S187 WeakPolarHBondContact O-CA 3.26Å; H183-S187 WeakPolarHBondContact O-CB 3.4Å; H183-S187 PolarHBondContact O-N 2.93Å; H183-D192 IonicContact CE1-OD1 3.43Å; H183-D192 IonicContact CE1-OD2 4Å; H183-D192 IonicContact CG-OD1 2.71Å; H183-D192 VanDerWaalsContact ND1-CG 3.28Å; H183-D192 IonicContact ND1-OD1 3.83Å; H183-D192 PolarHBondContact ND1-OD1 3.15Å; H183-D192 IonicContact ND1-OD2 4Å; H183-D192 PolarHBondContact ND1-OD2 3.28Å; H183-H194 AromaticContact CD2-NE2 3.53Å; H183-H194 AromaticContact CE1-CD2 3.58Å; H183-H194 AromaticContact CE1-NE2 3.29Å; H183-H194 PolarHBondContact CE1-NE2 3.03Å; H183-H194 VanDerWaalsContact CE1-NE2 3.29Å; H183-H194 AromaticContact CG-CE1 3.68Å; H183-H194 AromaticContact CG-NE2 3.21Å; H183-H194 AromaticContact ND1-CD2 3.45Å; H183-H194 PolarHBondContact ND1-CD2 3.26Å; H183-H194 AromaticContact ND1-CE1 3.82Å; H183-H194 AromaticContact ND1-NE2 3.07Å; H183-H194 PolarHBondContact ND1-NE2 3.07Å; H183-H194 AromaticContact NE2-NE2 3.57Å; H183-H292 AromaticContact CE1-CE1 3.38Å; H183-H292 PolarHBondContact CE1-CE1 3.17Å; H183-H292 AromaticContact CE1-NE2 3.48Å; H183-H292 PolarHBondContact CE1-NE2 3.5Å; H183-H292 AromaticContact NE2-CE1 3.62Å; H183-H292 AromaticContact NE2-NE2 3.5Å; H183-H325 AromaticContact CD2-CE1 3.81Å; H183-H325 AromaticContact CE1-CE1 3.99Å; H183-H325 AromaticContact NE2-CE1 3.21Å; H183-H325 PolarHBondContact NE2-CE1 3.28Å; H183-H325 AromaticContact NE2-NE2 3.42Å; H183-H325 PolarHBondContact NE2-NE2 3Å
184H97.2Very high97Very high3 Ų313.2 Ų13.21%0.0146%0.059CC..Hα-helixtrans-62.6-45177.4-89.1-97.2000113.4D76 F78 H148 H180 R181 Y186 H324 H325D76-H184 HydrophobicContact CB-CB 4.41Å; D76-H184 VanDerWaalsContact O-CB 3.32Å; D76-H184 WeakPolarHBondContact O-CB 3.46Å; F78-H184 WeakPolarHBondContact CD2-O 3.31Å; H148-H184 AromaticContact CE1-CD2 3.55Å; H148-H184 AromaticContact CE1-CE1 3.58Å; H148-H184 AromaticContact CE1-CG 3.8Å; H148-H184 AromaticContact CE1-ND1 3.82Å; H148-H184 AromaticContact CE1-NE2 3.39Å; H148-H184 PolarHBondContact CE1-NE2 3.35Å; H148-H184 AromaticContact NE2-CD2 3.82Å; H148-H184 AromaticContact NE2-CE1 3.9Å; H148-H184 AromaticContact NE2-NE2 3.39Å; H148-H184 PolarHBondContact NE2-NE2 3.49Å; H180-H184 AromaticContact CD2-CD2 3.61Å; H180-H184 AromaticContact CD2-NE2 3.91Å; H180-H184 AromaticContact CE1-CD2 3.64Å; H180-H184 AromaticContact CE1-NE2 3.48Å; H180-H184 PolarHBondContact CE1-NE2 3.01Å; H180-H184 AromaticContact NE2-CD2 3.11Å; H180-H184 PolarHBondContact NE2-CD2 3.35Å; H180-H184 AromaticContact NE2-NE2 2.97Å; H180-H184 PolarHBondContact NE2-NE2 2.95Å; H180-H184 PolarHBondContact O-CD2 2.66Å; H180-H184 PolarHBondContact O-N 3.11Å; R181-H184 PolarHBondContact O-N 3.06Å; H184-Y186 VanDerWaalsContact C-N 3.35Å; H184-Y186 PolarHBondContact O-N 2.8Å; H184-H324 AromaticContact CE1-CD2 3.6Å; H184-H324 AromaticContact CE1-CE1 3.65Å; H184-H324 AromaticContact CE1-NE2 3.11Å; H184-H324 PolarHBondContact CE1-NE2 3.41Å; H184-H324 AromaticContact NE2-CD2 3.72Å; H184-H324 AromaticContact NE2-CE1 3.82Å; H184-H324 AromaticContact NE2-NE2 3Å; H184-H324 PolarHBondContact NE2-NE2 3.22Å; H184-H325 AromaticContact CE1-CD2 3.99Å; H184-H325 AromaticContact CE1-CE1 3.88Å; H184-H325 AromaticContact CE1-CG 3.99Å; H184-H325 AromaticContact CE1-ND1 3.93Å; H184-H325 AromaticContact CE1-NE2 3.9Å; H184-H325 AromaticContact ND1-ND1 3.92Å; H184-H325 AromaticContact NE2-NE2 3.98Å
185K95.5Very high96.9Very high40 Ų4012 Ų1217%0.1745%0.054CC..Hα-helixtrans-67.8-36.4-174.2-166.2167.7-166175.20112.3E75 A77 D79 R181 V182 H183 L223E75-K185 IonicContact OE2-NZ 2.68Å; E75-K185 PolarHBondContact OE2-NZ 2.98Å; A77-K185 WeakPolarHBondContact O-CA 3.47Å; A77-K185 WeakPolarHBondContact O-CG 3.49Å; D79-K185 HydrophobicContact CB-CG 3.87Å; D79-K185 WeakPolarHBondContact CB-O 3.47Å; D79-K185 PolarHBondContact N-O 3.3Å; R181-K185 WeakPolarHBondContact O-CB 3.22Å; R181-K185 PolarHBondContact O-N 2.82Å; V182-K185 PolarHBondContact O-N 3.24Å; H183-K185 PolarHBondContact O-N 3.08Å; K185-L223 HydrophobicContact CD-CD2 3.9Å
186Y96.2Very high96.9Very high16 Ų1611.6 Ų11.66%0.0635%0.053CC..THydrogen-bonded Turntrans-125.330-173.9-52.7-68.5000113.1D79 Y82 V182 H184 T189 A191 D192 K219D79-Y186 HydrophobicContact CB-CD1 4.33Å; D79-Y186 HydrophobicContact CB-CE1 3.97Å; D79-Y186 WeakPolarHBondContact OD2-CE1 3.48Å; Y82-Y186 AromaticContact CD1-CD1 3.64Å; Y82-Y186 HydrophobicContact CD1-CD1 3.64Å; Y82-Y186 HydrophobicContact CD1-CE1 4.39Å; Y82-Y186 HydrophobicContact CD1-CG 4.33Å; Y82-Y186 HydrophobicContact CD2-CD1 4.37Å; Y82-Y186 HydrophobicContact CD2-CE1 4.35Å; Y82-Y186 HydrophobicContact CE1-CD1 4.42Å; Y82-Y186 AromaticContact CG-CD1 3.6Å; Y82-Y186 HydrophobicContact CG-CD1 3.6Å; Y82-Y186 AromaticContact CG-CE1 3.91Å; Y82-Y186 HydrophobicContact CG-CE1 3.91Å; V182-Y186 HydrophobicContact CG1-CD2 4.01Å; V182-Y186 PolarHBondContact O-N 3.37Å; H184-Y186 VanDerWaalsContact C-N 3.35Å; H184-Y186 PolarHBondContact O-N 2.8Å; Y186-T189 WeakPolarHBondContact O-CB 3.48Å; Y186-T189 WeakPolarHBondContact O-CG2 3.48Å; Y186-T189 PolarHBondContact O-N 2.91Å; Y186-T189 PolarHBondContact O-OG1 3.16Å; Y186-A191 HydrophobicContact CD2-CB 4.13Å; Y186-A191 HydrophobicContact CG-CB 3.91Å; Y186-D192 WeakPolarHBondContact O-CB 3.3Å; Y186-K219 HydrophobicContact CD2-CB 3.91Å; Y186-K219 HydrophobicContact CD2-CG 4.2Å; Y186-K219 HydrophobicContact CE1-CD 4.46Å; Y186-K219 HydrophobicContact CE2-CB 3.56Å; Y186-K219 HydrophobicContact CE2-CD 4.2Å; Y186-K219 HydrophobicContact CE2-CG 3.92Å
187S95.4Very high96.8Very high2 Ų218.1 Ų18.11%0.0148%0.078CC..THydrogen-bonded Turntrans-51141.7-175.8-162.20000110.9H183 T189H183-S187 WeakPolarHBondContact O-CA 3.26Å; H183-S187 WeakPolarHBondContact O-CB 3.4Å; H183-S187 PolarHBondContact O-N 2.93Å; S187-T189 VanDerWaalsContact C-N 3.26Å; S187-T189 PolarHBondContact O-N 3.45Å
188E94.9Very high96.6Very high19 Ų1921.3 Ų21.39%0.0899%0.09CC..THydrogen-bonded Turntrans64.722.3-179.1-71.966.1-146.100115.5D192 R197 H292 N304E188-D192 PolarHBondContact N-OD2 3.35Å; E188-R197 HydrophobicContact CB-CG 4.13Å; E188-R197 HydrophobicContact CG-CG 4.26Å; E188-R197 WeakPolarHBondContact O-CD 3.48Å; E188-H292 IonicContact OE1-CE1 3.04Å; E188-H292 PolarHBondContact OE1-CE1 3.29Å; E188-H292 IonicContact OE1-CG 3.29Å; E188-H292 IonicContact OE1-ND1 3.77Å; E188-H292 PolarHBondContact OE1-ND1 2.94Å; E188-N304 HydrophobicContact CG-CB 3.8Å; E188-N304 WeakPolarHBondContact CG-ND2 3.36Å; E188-N304 VanDerWaalsContact OE1-CB 3.31Å; E188-N304 WeakPolarHBondContact OE1-CB 3.04Å
189T95.8Very high96.6Very high19 Ų1920.2 Ų20.212%0.11710%0.095CC..SBendtrans-124.7174.2174.876.80000112.6Y82 E84 Y186 S187 A191 D192 N195Y82-T189 HydrophobicContact CD1-CG2 3.98Å; Y82-T189 HydrophobicContact CE1-CG2 4.16Å; Y82-T189 WeakPolarHBondContact CE1-OG1 3.39Å; E84-T189 VanDerWaalsContact OE1-C 3.25Å; E84-T189 WeakPolarHBondContact OE1-CA 3.34Å; Y186-T189 WeakPolarHBondContact O-CB 3.48Å; Y186-T189 WeakPolarHBondContact O-CG2 3.48Å; Y186-T189 PolarHBondContact O-N 2.91Å; Y186-T189 PolarHBondContact O-OG1 3.16Å; S187-T189 VanDerWaalsContact C-N 3.26Å; S187-T189 PolarHBondContact O-N 3.45Å; T189-A191 PolarHBondContact O-N 2.67Å; T189-A191 PolarHBondContact OG1-N 3.12Å; T189-D192 VanDerWaalsContact O-CB 3.29Å; T189-D192 WeakPolarHBondContact O-CB 3.46Å; T189-D192 PolarHBondContact O-N 2.86Å; T189-N195 WeakPolarHBondContact O-CB 3.19Å; T189-N195 VanDerWaalsContact O-CG 3.3Å; T189-N195 PolarHBondContact O-ND2 3.01Å
190D95.8Very high96.7Very high6 Ų623.1 Ų23.13%0.03211%0.107CC..THydrogen-bonded Turntrans-66.5-11.3175.1-77.4-20.9000113.9E84 K89 R198 H213E84-D190 HydrophobicContact CG-CB 4.37Å; E84-D190 PolarHBondContact OE1-N 3.4Å; K89-D190 VanDerWaalsContact CD-OD2 3.32Å; K89-D190 WeakPolarHBondContact CD-OD2 2.93Å; K89-D190 WeakPolarHBondContact CE-OD2 3.49Å; K89-D190 IonicContact NZ-OD1 3.86Å; K89-D190 PolarHBondContact NZ-OD1 3.44Å; K89-D190 IonicContact NZ-OD2 2.86Å; K89-D190 PolarHBondContact NZ-OD2 3.1Å; D190-R198 IonicContact OD1-CZ 3.76Å; D190-R198 IonicContact OD1-NE 2.88Å; D190-R198 IonicContact OD1-NH2 3.9Å; D190-R198 PolarHBondContact OD1-NH2 3.07Å; D190-H213 WeakPolarHBondContact O-CB 3.43Å; D190-H213 PolarHBondContact O-ND1 3.17Å
191A95.9Very high96.7Very high0 Ų029 Ų290%013%0.132CC..THydrogen-bonded Turntrans-85.4-15.116900000112.9Y82 V182 Y186 T189 P193 D215 V216 K219Y82-A191 HydrophobicContact CE1-CB 3.92Å; V182-A191 WeakPolarHBondContact CG1-O 3.28Å; Y186-A191 HydrophobicContact CD2-CB 4.13Å; Y186-A191 HydrophobicContact CG-CB 3.91Å; T189-A191 PolarHBondContact O-N 2.67Å; T189-A191 PolarHBondContact OG1-N 3.12Å; A191-P193 WeakPolarHBondContact O-CD 3.49Å; A191-D215 HydrophobicContact CB-CB 4.02Å; A191-V216 WeakPolarHBondContact O-CG2 3.33Å; A191-K219 HydrophobicContact CB-CB 4.24Å; A191-K219 HydrophobicContact CB-CG 3.77Å
192D97.3Very high96.7Very high4 Ų429.8 Ų29.82%0.02114%0.136CC..SBendtrans-74.2119.8173.9175.90.2000110.5H183 Y186 E188 T189 H194 N195H183-D192 IonicContact CE1-OD1 3.43Å; H183-D192 IonicContact CE1-OD2 4Å; H183-D192 IonicContact CG-OD1 2.71Å; H183-D192 VanDerWaalsContact ND1-CG 3.28Å; H183-D192 IonicContact ND1-OD1 3.83Å; H183-D192 PolarHBondContact ND1-OD1 3.15Å; H183-D192 IonicContact ND1-OD2 4Å; H183-D192 PolarHBondContact ND1-OD2 3.28Å; Y186-D192 WeakPolarHBondContact O-CB 3.3Å; E188-D192 PolarHBondContact N-OD2 3.35Å; T189-D192 VanDerWaalsContact O-CB 3.29Å; T189-D192 WeakPolarHBondContact O-CB 3.46Å; T189-D192 PolarHBondContact O-N 2.86Å; D192-H194 PolarHBondContact O-N 2.88Å; D192-H194 VanDerWaalsContact O-N 3.13Å; D192-H194 IonicContact OD1-CD2 3.31Å; D192-H194 IonicContact OD1-CG 2.65Å; D192-H194 PolarHBondContact OD1-N 3.47Å; D192-N195 HydrophobicContact CB-CB 4.07Å; D192-N195 PolarHBondContact O-N 3.09Å; D192-N195 PolarHBondContact OD1-N 2.99Å; D192-N195 VanDerWaalsContact OD2-CA 3.29Å; D192-N195 WeakPolarHBondContact OD2-CA 3.11Å; D192-N195 PolarHBondContact OD2-N 3.26Å
193P96.6Very high96.7Very high6 Ų629.8 Ų29.84%0.03914%0.136CC..THydrogen-bonded Turntrans-54.6-32.4-179.6-2229.4000114.2D179 A191 W207 V216D179-P193 HydrophobicContact CB-CG 4.14Å; A191-P193 WeakPolarHBondContact O-CD 3.49Å; P193-W207 HydrophobicContact CB-CE3 4.32Å; P193-W207 HydrophobicContact CB-CZ3 4.32Å; P193-W207 WeakPolarHBondContact O-CB 3.46Å; P193-V216 HydrophobicContact CB-CG1 4.21Å; P193-V216 HydrophobicContact CG-CG1 3.83Å
194H96.8Very high96.8Very high9 Ų930.8 Ų30.84%0.04214%0.14CC..THydrogen-bonded Turntrans-126.838.1-176.542.7-95.2000112H183 D192 A196 S203 W207 N288H183-H194 AromaticContact CD2-NE2 3.53Å; H183-H194 AromaticContact CE1-CD2 3.58Å; H183-H194 AromaticContact CE1-NE2 3.29Å; H183-H194 PolarHBondContact CE1-NE2 3.03Å; H183-H194 VanDerWaalsContact CE1-NE2 3.29Å; H183-H194 AromaticContact CG-CE1 3.68Å; H183-H194 AromaticContact CG-NE2 3.21Å; H183-H194 AromaticContact ND1-CD2 3.45Å; H183-H194 PolarHBondContact ND1-CD2 3.26Å; H183-H194 AromaticContact ND1-CE1 3.82Å; H183-H194 AromaticContact ND1-NE2 3.07Å; H183-H194 PolarHBondContact ND1-NE2 3.07Å; H183-H194 AromaticContact NE2-NE2 3.57Å; D192-H194 PolarHBondContact O-N 2.88Å; D192-H194 VanDerWaalsContact O-N 3.13Å; D192-H194 IonicContact OD1-CD2 3.31Å; D192-H194 IonicContact OD1-CG 2.65Å; D192-H194 PolarHBondContact OD1-N 3.47Å; H194-A196 PolarHBondContact O-N 3.28Å; H194-S203 WeakPolarHBondContact O-CB 3.24Å; H194-W207 HydrophobicContact CB-CB 4.46Å; H194-W207 HydrophobicContact CB-CD2 4.1Å; H194-W207 HydrophobicContact CB-CG 3.91Å; H194-N288 HydrophobicContact CB-CB 4.41Å; H194-N288 VanDerWaalsContact CD2-CG 3.47Å
195N97.2Very high96.8Very high2 Ų231.5 Ų31.51%0.01114%0.144CC..  trans-38105.8178.5-176.2-8.2000114.2T189 D192 R197 R198 F202T189-N195 WeakPolarHBondContact O-CB 3.19Å; T189-N195 VanDerWaalsContact O-CG 3.3Å; T189-N195 PolarHBondContact O-ND2 3.01Å; D192-N195 HydrophobicContact CB-CB 4.07Å; D192-N195 PolarHBondContact O-N 3.09Å; D192-N195 PolarHBondContact OD1-N 2.99Å; D192-N195 VanDerWaalsContact OD2-CA 3.29Å; D192-N195 WeakPolarHBondContact OD2-CA 3.11Å; D192-N195 PolarHBondContact OD2-N 3.26Å; N195-R197 PolarHBondContact O-N 3.2Å; N195-R197 VanDerWaalsContact OD1-CB 3.23Å; N195-R197 WeakPolarHBondContact OD1-CB 3.46Å; N195-R197 PolarHBondContact OD1-N 2.97Å; N195-R198 HydrophobicContact CB-CG 4.35Å; N195-R198 WeakPolarHBondContact O-CB 3.48Å; N195-R198 PolarHBondContact O-N 3.35Å; N195-R198 VanDerWaalsContact O-N 3.07Å; N195-F202 HydrophobicContact CB-CE1 4.39Å
196A96.9Very high96.9Very high7 Ų729.8 Ų29.86%0.05814%0.138CC..G310 helixtrans-63.1-21.4-178.900000113.9H194 R198 G199 H292H194-A196 PolarHBondContact O-N 3.28Å; A196-R198 PolarHBondContact O-N 3.47Å; A196-G199 PolarHBondContact O-N 2.76Å; A196-H292 HydrophobicContact CB-CB 3.53Å
197R96Very high96.9Very high174 Ų17430.1 Ų30.166%0.65714%0.139SC*.G310 helixtrans-66.4-16.1174.9-59.4179.169.6177.90.4113E188 N195 G199E188-R197 HydrophobicContact CB-CG 4.13Å; E188-R197 HydrophobicContact CG-CG 4.26Å; E188-R197 WeakPolarHBondContact O-CD 3.48Å; N195-R197 PolarHBondContact O-N 3.2Å; N195-R197 VanDerWaalsContact OD1-CB 3.23Å; N195-R197 WeakPolarHBondContact OD1-CB 3.46Å; N195-R197 PolarHBondContact OD1-N 2.97Å; R197-G199 PolarHBondContact O-N 3.36Å
198R95.9Very high96.9Very high66 Ų6630.5 Ų30.525%0.24914%0.141CC..G310 helixtrans-83.84.6173.6-61.9178.1174.7-156.4-1.4112.9D190 N195 A196 F202D190-R198 IonicContact OD1-CZ 3.76Å; D190-R198 IonicContact OD1-NE 2.88Å; D190-R198 IonicContact OD1-NH2 3.9Å; D190-R198 PolarHBondContact OD1-NH2 3.07Å; N195-R198 HydrophobicContact CB-CG 4.35Å; N195-R198 WeakPolarHBondContact O-CB 3.48Å; N195-R198 PolarHBondContact O-N 3.35Å; N195-R198 VanDerWaalsContact O-N 3.07Å; A196-R198 PolarHBondContact O-N 3.47Å; R198-F202 HydrophobicContact CB-CB 3.81Å; R198-F202 HydrophobicContact CB-CD1 3.58Å; R198-F202 HydrophobicContact CB-CD2 4.44Å; R198-F202 HydrophobicContact CB-CE1 4.28Å; R198-F202 HydrophobicContact CB-CG 3.67Å; R198-F202 HydrophobicContact CG-CD1 4.22Å; R198-F202 HydrophobicContact CG-CE1 4.45Å
199G97.7Very high97Very high28 Ų2830.6 Ų30.629%0.28914%0.142SC..  trans92.5162.7174.300000113.8A196 R197 F201 F202 S203A196-G199 PolarHBondContact O-N 2.76Å; R197-G199 PolarHBondContact O-N 3.36Å; G199-F201 VanDerWaalsContact C-N 3.34Å; G199-F201 PolarHBondContact O-N 2.7Å; G199-F202 PolarHBondContact O-N 3.11Å; G199-S203 PolarHBondContact O-N 3.44Å; G199-S203 PolarHBondContact O-OG 2.97Å
200F98.4Very high97.1Very high70 Ų7030.4 Ų30.431%0.30714%0.14SC..Hα-helixtrans-51-48.2-173.4179.9-93.5000113.4F202 S203 H204 S289 A290 M293 W294F200-F202 VanDerWaalsContact C-N 3.29Å; F200-F202 PolarHBondContact O-N 2.77Å; F200-S203 PolarHBondContact O-N 2.89Å; F200-S203 PolarHBondContact O-OG 3.18Å; F200-H204 HydrophobicContact CD1-CB 4.44Å; F200-H204 HydrophobicContact CE1-CB 4.13Å; F200-H204 HydrophobicContact CZ-CB 4.28Å; F200-H204 AromaticContact CZ-ND1 3.99Å; F200-H204 WeakPolarHBondContact O-CB 3.33Å; F200-H204 PolarHBondContact O-N 3.07Å; F200-S289 WeakPolarHBondContact CE2-OG 3.19Å; F200-A290 HydrophobicContact CE2-CB 4.47Å; F200-M293 HydrophobicContact CB-CE 4.21Å; F200-M293 HydrophobicContact CB-SD 3.75Å; F200-M293 HydrophobicContact CD2-SD 4.08Å; F200-M293 HydrophobicContact CG-SD 4.44Å; F200-W294 HydrophobicContact CB-CH2 4.34Å; F200-W294 AromaticContact CD2-CH2 3.39Å; F200-W294 HydrophobicContact CD2-CH2 3.39Å; F200-W294 AromaticContact CD2-CZ3 3.33Å; F200-W294 HydrophobicContact CD2-CZ3 3.33Å; F200-W294 AromaticContact CE2-CH2 3.88Å; F200-W294 HydrophobicContact CE2-CH2 3.88Å; F200-W294 AromaticContact CE2-CZ3 3.42Å; F200-W294 HydrophobicContact CE2-CZ3 3.42Å; F200-W294 VanDerWaalsContact CE2-CZ3 3.42Å; F200-W294 AromaticContact CG-CH2 3.96Å; F200-W294 HydrophobicContact CG-CH2 3.96Å; F200-W294 HydrophobicContact CG-CZ3 4.32Å; F200-W294 HydrophobicContact CZ-CZ3 4.46Å
201F98.4Very high97Very high137 Ų13735.2 Ų35.260%0.60116%0.158SC*.Hα-helixtrans-60.9-40.6-177.8-179.6-97.9000111.9G199 I205 G206 L209G199-F201 VanDerWaalsContact C-N 3.34Å; G199-F201 PolarHBondContact O-N 2.7Å; F201-I205 HydrophobicContact CD2-CG2 4.02Å; F201-I205 HydrophobicContact CE2-CG2 3.61Å; F201-I205 HydrophobicContact CZ-CG2 3.95Å; F201-I205 PolarHBondContact O-N 3.06Å; F201-G206 PolarHBondContact O-N 2.04Å; F201-L209 HydrophobicContact CE1-CD1 4.42Å; F201-L209 HydrophobicContact CZ-CD1 4Å
202F98Very high96.9Very high18 Ų1836.7 Ų36.78%0.07917%0.165CC..Hα-helixtrans-65.9-50.8179.8-178.9-91.8000111.3N195 R198 G199 F200 H204 G206 W207 V210N195-F202 HydrophobicContact CB-CE1 4.39Å; R198-F202 HydrophobicContact CB-CB 3.81Å; R198-F202 HydrophobicContact CB-CD1 3.58Å; R198-F202 HydrophobicContact CB-CD2 4.44Å; R198-F202 HydrophobicContact CB-CE1 4.28Å; R198-F202 HydrophobicContact CB-CG 3.67Å; R198-F202 HydrophobicContact CG-CD1 4.22Å; R198-F202 HydrophobicContact CG-CE1 4.45Å; G199-F202 PolarHBondContact O-N 3.11Å; F200-F202 VanDerWaalsContact C-N 3.29Å; F200-F202 PolarHBondContact O-N 2.77Å; F202-H204 VanDerWaalsContact C-N 3.29Å; F202-H204 PolarHBondContact O-N 3.44Å; F202-G206 PolarHBondContact O-N 3.16Å; F202-W207 HydrophobicContact CD1-CB 4.34Å; F202-W207 HydrophobicContact CE1-CB 3.89Å; F202-W207 HydrophobicContact CE2-CB 4.08Å; F202-W207 HydrophobicContact CZ-CB 3.75Å; F202-W207 WeakPolarHBondContact O-CB 3.39Å; F202-W207 VanDerWaalsContact O-CD1 3.23Å; F202-W207 PolarHBondContact O-N 2.71Å; F202-V210 HydrophobicContact CE2-CG2 3.99Å
203S97.6Very high96.8Very high0 Ų037.7 Ų37.70%017%0.169CC..Hα-helixtrans-70.1-25.4-178.654.40000113.4H194 G199 F200 N288 S289H194-S203 WeakPolarHBondContact O-CB 3.24Å; G199-S203 PolarHBondContact O-N 3.44Å; G199-S203 PolarHBondContact O-OG 2.97Å; F200-S203 PolarHBondContact O-N 2.89Å; F200-S203 PolarHBondContact O-OG 3.18Å; S203-N288 WeakPolarHBondContact O-CB 3.13Å; S203-S289 WeakPolarHBondContact OG-CA 3.49Å; S203-S289 WeakPolarHBondContact OG-CB 3.36Å
204H98.6Very high96.8Very high20 Ų2040.8 Ų40.89%0.09319%0.189CC..Hα-helixtrans-77.1-59176.7-162.766.6000111.8F200 F202 N282 W285 S289F200-H204 HydrophobicContact CD1-CB 4.44Å; F200-H204 HydrophobicContact CE1-CB 4.13Å; F200-H204 HydrophobicContact CZ-CB 4.28Å; F200-H204 AromaticContact CZ-ND1 3.99Å; F200-H204 WeakPolarHBondContact O-CB 3.33Å; F200-H204 PolarHBondContact O-N 3.07Å; F202-H204 VanDerWaalsContact C-N 3.29Å; F202-H204 PolarHBondContact O-N 3.44Å; H204-N282 PolarHBondContact NE2-OD1 3.4Å; H204-W285 VanDerWaalsContact ND1-C 3.34Å; H204-W285 WeakPolarHBondContact ND1-CB 3.5Å; H204-W285 PolarHBondContact ND1-O 3.41Å; H204-W285 VanDerWaalsContact O-CB 3.24Å; H204-W285 WeakPolarHBondContact O-CB 3.48Å; H204-S289 PolarHBondContact ND1-OG 2.86Å
205I97.9Very high96.7Very high19 Ų1940.6 Ų40.610%0.09719%0.188CC..THydrogen-bonded Turntrans-139.5-27.6-172.9-163.1172.7000113.6M102 F201 W207 L208 W285M102-I205 HydrophobicContact CG-CD1 3.35Å; M102-I205 HydrophobicContact CG-CG1 4.06Å; M102-I205 HydrophobicContact SD-CD1 4.11Å; F201-I205 HydrophobicContact CD2-CG2 4.02Å; F201-I205 HydrophobicContact CE2-CG2 3.61Å; F201-I205 HydrophobicContact CZ-CG2 3.95Å; F201-I205 PolarHBondContact O-N 3.06Å; I205-W207 PolarHBondContact O-N 3.41Å; I205-L208 WeakPolarHBondContact O-CB 3.34Å; I205-L208 PolarHBondContact O-N 3.16Å; I205-W285 HydrophobicContact CB-CE3 4.19Å; I205-W285 HydrophobicContact CB-CZ3 4.16Å; I205-W285 HydrophobicContact CD1-CE3 4.18Å; I205-W285 HydrophobicContact CD1-CH2 3.71Å; I205-W285 HydrophobicContact CD1-CZ3 3.35Å; I205-W285 HydrophobicContact CG1-CE3 4.13Å; I205-W285 HydrophobicContact CG1-CH2 3.8Å; I205-W285 HydrophobicContact CG1-CZ2 4.45Å; I205-W285 HydrophobicContact CG1-CZ3 3.62Å
206G97.8Very high96.6Very high4 Ų440.8 Ų40.84%0.04119%0.19CC..G310 helixtrans-60.7-31-17300000113.7F201 F202 L208 L209F201-G206 PolarHBondContact O-N 2.04Å; F202-G206 PolarHBondContact O-N 3.16Å; G206-L208 PolarHBondContact O-N 2.74Å; G206-L209 WeakPolarHBondContact O-CB 3.27Å; G206-L209 PolarHBondContact O-N 2.62Å
207W97.3Very high96.4Very high23 Ų2344.9 Ų44.99%0.08721%0.21CC..G310 helixtrans-63.3-22.9175.475.9-84.5000113.9P193 H194 F202 I205P193-W207 HydrophobicContact CB-CE3 4.32Å; P193-W207 HydrophobicContact CB-CZ3 4.32Å; P193-W207 WeakPolarHBondContact O-CB 3.46Å; H194-W207 HydrophobicContact CB-CB 4.46Å; H194-W207 HydrophobicContact CB-CD2 4.1Å; H194-W207 HydrophobicContact CB-CG 3.91Å; F202-W207 HydrophobicContact CD1-CB 4.34Å; F202-W207 HydrophobicContact CE1-CB 3.89Å; F202-W207 HydrophobicContact CE2-CB 4.08Å; F202-W207 HydrophobicContact CZ-CB 3.75Å; F202-W207 WeakPolarHBondContact O-CB 3.39Å; F202-W207 VanDerWaalsContact O-CD1 3.23Å; F202-W207 PolarHBondContact O-N 2.71Å; I205-W207 PolarHBondContact O-N 3.41Å
208L95Very high96.4Very high9 Ų939.9 Ų39.95%0.04719%0.194CC..G310 helixtrans-83-15.7173.3-64.6171.6000112.7F17 N98 M102 I205 G206 W285F17-L208 HydrophobicContact CE1-CD2 4.1Å; F17-L208 HydrophobicContact CZ-CD2 4.16Å; N98-L208 WeakPolarHBondContact CB-O 3.31Å; N98-L208 PolarHBondContact ND2-O 2.83Å; M102-L208 HydrophobicContact CE-CD1 4.04Å; I205-L208 WeakPolarHBondContact O-CB 3.34Å; I205-L208 PolarHBondContact O-N 3.16Å; G206-L208 PolarHBondContact O-N 2.74Å; L208-W285 HydrophobicContact CD1-CH2 4.3Å; L208-W285 HydrophobicContact CD1-CZ2 3.41Å; L208-W285 VanDerWaalsContact CD1-CZ2 3.41Å
209L97Very high96.3Very high21 Ų2138.3 Ų38.311%0.1119%0.189CC..SBendtrans-96.5-4.4-174.5-52.1-174.5000112.9V95 N98 I99 M102 F201 G206V95-L209 PolarHBondContact N-O 3.31Å; N98-L209 HydrophobicContact CB-CD2 4.36Å; I99-L209 HydrophobicContact CG1-CB 3.9Å; I99-L209 HydrophobicContact CG1-CD1 4.37Å; I99-L209 HydrophobicContact CG1-CD2 4.24Å; I99-L209 HydrophobicContact CG1-CG 4.38Å; M102-L209 HydrophobicContact CB-CD2 4.11Å; M102-L209 HydrophobicContact CG-CD2 4.41Å; F201-L209 HydrophobicContact CE1-CD1 4.42Å; F201-L209 HydrophobicContact CZ-CD1 4Å; G206-L209 WeakPolarHBondContact O-CB 3.27Å; G206-L209 PolarHBondContact O-N 2.62Å
210V96.3Very high96.1Very high15 Ų1537.2 Ų37.29%0.09118%0.177CC..BIsolated β-bridgetrans-131.7162.8-178.3-560000111K92 I93 L94 F202K92-V210 HydrophobicContact CB-CG1 4.45Å; I93-V210 CarbonylContact O-C 3.47Å; I93-V210 WeakPolarHBondContact O-CA 3.33Å; I93-V210 WeakPolarHBondContact O-CB 3.48Å; L94-V210 HydrophobicContact CD2-CG1 3.75Å; F202-V210 HydrophobicContact CE2-CG2 3.99Å
211R95.1Very high95.8Very high108 Ų10837.1 Ų37.141%0.40820%0.196SC..PPolyproline II helixtrans-64.6145.5169.7-64.2-63.9-175.7171.56.3110.6D20 I93 V95D20-R211 IonicContact OD1-CZ 2.69Å; D20-R211 IonicContact OD1-NH1 3.65Å; D20-R211 PolarHBondContact OD1-NH1 2.69Å; D20-R211 IonicContact OD1-NH2 3.5Å; D20-R211 WeakPolarHBondContact OD2-CD 3.37Å; D20-R211 IonicContact OD2-CZ 2.91Å; D20-R211 IonicContact OD2-NE 3.51Å; D20-R211 IonicContact OD2-NH1 2.66Å; D20-R211 PolarHBondContact OD2-NH1 2.65Å; I93-R211 HydrophobicContact CB-CB 4.28Å; I93-R211 HydrophobicContact CB-CG 3.96Å; I93-R211 HydrophobicContact CG2-CG 4.06Å; I93-R211 PolarHBondContact O-N 2.74Å; V95-R211 HydrophobicContact CG2-CG 4.08Å
212K94Very high95.6Very high31 Ų3136.6 Ų36.614%0.13519%0.193CC..PPolyproline II helixtrans-58.9147.2175.4-80.7175.4162164.40109.8E175 R178 D179 V216 I217E175-K212 IonicContact OE1-NZ 2.65Å; R178-K212 VanDerWaalsContact NH2-NZ 3.19Å; D179-K212 IonicContact OD1-NZ 2.86Å; D179-K212 PolarHBondContact OD1-NZ 3.45Å; D179-K212 VanDerWaalsContact OD2-CE 3.28Å; D179-K212 WeakPolarHBondContact OD2-CE 3.39Å; D179-K212 IonicContact OD2-NZ 3.91Å; D179-K212 PolarHBondContact OD2-NZ 2.81Å; K212-V216 HydrophobicContact CB-CB 4.3Å; K212-V216 HydrophobicContact CB-CG1 4.47Å; K212-V216 HydrophobicContact CD-CG1 3.85Å; K212-V216 HydrophobicContact CG-CG1 4.23Å; K212-I217 HydrophobicContact CB-CD1 4.36Å; K212-I217 HydrophobicContact CB-CG1 4.22Å
213H95.3Very high95.3Very high24 Ų2436.4 Ų36.411%0.11119%0.193CC..PPolyproline II helixtrans-63.8143.5169.2-170.7-95.5000109.6P90 D190 D215 V216P90-H213 VanDerWaalsContact CD-NE2 3.27Å; P90-H213 WeakPolarHBondContact CD-NE2 3.34Å; P90-H213 VanDerWaalsContact CG-NE2 3.34Å; P90-H213 WeakPolarHBondContact CG-NE2 3.4Å; D190-H213 WeakPolarHBondContact O-CB 3.43Å; D190-H213 PolarHBondContact O-ND1 3.17Å; H213-D215 IonicContact CE1-OD2 3.83Å; H213-D215 PolarHBondContact CE1-OD2 3.31Å; H213-D215 VanDerWaalsContact CE1-OD2 3.27Å; H213-D215 WeakPolarHBondContact ND1-CB 3.28Å; H213-D215 PolarHBondContact ND1-N 3Å; H213-D215 IonicContact ND1-OD2 3.31Å; H213-D215 PolarHBondContact O-N 3.35Å; H213-D215 VanDerWaalsContact O-N 3.16Å; H213-V216 HydrophobicContact CB-CG2 4.1Å; H213-V216 WeakPolarHBondContact O-CB 3.28Å; H213-V216 PolarHBondContact O-N 2.77Å
214P94.9Very high95.1Very high72 Ų7240.6 Ų40.647%0.46821%0.213SC..Hα-helixtrans-53.4-36.4-179.7-29.636.6000113.9V216 I217 E218P214-V216 VanDerWaalsContact C-N 3.29Å; P214-V216 PolarHBondContact O-N 3.03Å; P214-I217 WeakPolarHBondContact O-CB 3.11Å; P214-I217 PolarHBondContact O-N 3.17Å; P214-I217 VanDerWaalsContact O-N 3.08Å; P214-E218 PolarHBondContact O-N 3.03Å
215D95.1Very high95Very high4 Ų440.4 Ų40.42%0.02121%0.213CC..Hα-helixtrans-64.8-31.7179-63.5-16.4000112.7Y82 K85 A191 H213 I217 E218 K219Y82-D215 PolarHBondContact OH-OD2 3.44Å; Y82-D215 VanDerWaalsContact OH-OD2 3.07Å; K85-D215 IonicContact NZ-OD1 3.74Å; K85-D215 PolarHBondContact NZ-OD1 3.19Å; A191-D215 HydrophobicContact CB-CB 4.02Å; H213-D215 IonicContact CE1-OD2 3.83Å; H213-D215 PolarHBondContact CE1-OD2 3.31Å; H213-D215 VanDerWaalsContact CE1-OD2 3.27Å; H213-D215 WeakPolarHBondContact ND1-CB 3.28Å; H213-D215 PolarHBondContact ND1-N 3Å; H213-D215 IonicContact ND1-OD2 3.31Å; H213-D215 PolarHBondContact O-N 3.35Å; H213-D215 VanDerWaalsContact O-N 3.16Å; D215-I217 VanDerWaalsContact C-N 3.27Å; D215-I217 PolarHBondContact O-N 3.3Å; D215-E218 PolarHBondContact O-N 2.91Å; D215-K219 VanDerWaalsContact O-CB 3.22Å; D215-K219 WeakPolarHBondContact O-CB 3.19Å; D215-K219 VanDerWaalsContact O-CG 3.23Å; D215-K219 WeakPolarHBondContact O-CG 3.21Å; D215-K219 PolarHBondContact O-N 2.91Å
216V95.1Very high95Very high6 Ų642.5 Ų42.54%0.03623%0.229CC..Hα-helixtrans-61-41.7173.6-179.70000110.2A191 P193 K212 H213 P214 G220A191-V216 WeakPolarHBondContact O-CG2 3.33Å; P193-V216 HydrophobicContact CB-CG1 4.21Å; P193-V216 HydrophobicContact CG-CG1 3.83Å; K212-V216 HydrophobicContact CB-CB 4.3Å; K212-V216 HydrophobicContact CB-CG1 4.47Å; K212-V216 HydrophobicContact CD-CG1 3.85Å; K212-V216 HydrophobicContact CG-CG1 4.23Å; H213-V216 HydrophobicContact CB-CG2 4.1Å; H213-V216 WeakPolarHBondContact O-CB 3.28Å; H213-V216 PolarHBondContact O-N 2.77Å; P214-V216 VanDerWaalsContact C-N 3.29Å; P214-V216 PolarHBondContact O-N 3.03Å; V216-G220 WeakPolarHBondContact O-CA 3.19Å; V216-G220 PolarHBondContact O-N 2.69Å
217I94.2Very high94.9Very high94 Ų9444.2 Ų44.248%0.48224%0.237SC..Hα-helixtrans-71.4-49.2-179.2-60.1166.4000109.6K212 P214 D215 K219 G220 G221K212-I217 HydrophobicContact CB-CD1 4.36Å; K212-I217 HydrophobicContact CB-CG1 4.22Å; P214-I217 WeakPolarHBondContact O-CB 3.11Å; P214-I217 PolarHBondContact O-N 3.17Å; P214-I217 VanDerWaalsContact O-N 3.08Å; D215-I217 VanDerWaalsContact C-N 3.27Å; D215-I217 PolarHBondContact O-N 3.3Å; I217-K219 PolarHBondContact O-N 3.02Å; I217-G220 PolarHBondContact O-N 3.45Å; I217-G221 PolarHBondContact O-N 3.37Å
218E94.8Very high95Very high69 Ų6943.1 Ų43.132%0.32223%0.233SC..Hα-helixtrans-59.7-48.2-179.5-167.3-154.913200111.5K85 P214 D215 K222K85-E218 IonicContact NZ-OE2 2.93Å; K85-E218 PolarHBondContact NZ-OE2 2.75Å; P214-E218 PolarHBondContact O-N 3.03Å; D215-E218 PolarHBondContact O-N 2.91Å; E218-K222 WeakPolarHBondContact O-CG 3.32Å; E218-K222 IonicContact OE1-NZ 2.75Å; E218-K222 PolarHBondContact OE1-NZ 2.81Å
219K93.9Very high95.1Very high33 Ų3347.6 Ų47.614%0.14326%0.256CS..Hα-helixtrans-74.3-38.1-178.9-64.2-53.8-173.5-177.70112.3Y186 A191 D215 I217 G221 K222Y186-K219 HydrophobicContact CD2-CB 3.91Å; Y186-K219 HydrophobicContact CD2-CG 4.2Å; Y186-K219 HydrophobicContact CE1-CD 4.46Å; Y186-K219 HydrophobicContact CE2-CB 3.56Å; Y186-K219 HydrophobicContact CE2-CD 4.2Å; Y186-K219 HydrophobicContact CE2-CG 3.92Å; A191-K219 HydrophobicContact CB-CB 4.24Å; A191-K219 HydrophobicContact CB-CG 3.77Å; D215-K219 VanDerWaalsContact O-CB 3.22Å; D215-K219 WeakPolarHBondContact O-CB 3.19Å; D215-K219 VanDerWaalsContact O-CG 3.23Å; D215-K219 WeakPolarHBondContact O-CG 3.21Å; D215-K219 PolarHBondContact O-N 2.91Å; I217-K219 PolarHBondContact O-N 3.02Å; K219-G221 VanDerWaalsContact C-N 3.26Å; K219-G221 PolarHBondContact O-N 2.71Å; K219-K222 PolarHBondContact O-N 3.49Å; K219-K222 VanDerWaalsContact O-N 3.08Å
220G92.9Very high95.2Very high4 Ų450.8 Ų50.84%0.04128%0.281CS..Hα-helixtrans-62.7-31.8174.300000113.6V216 I217 K222V216-G220 WeakPolarHBondContact O-CA 3.19Å; V216-G220 PolarHBondContact O-N 2.69Å; I217-G220 PolarHBondContact O-N 3.45Å; G220-K222 PolarHBondContact O-N 2.86Å
221G92.4Very high95.3Very high68 Ų6851 Ų5170%0.70128%0.281SS*.THydrogen-bonded Turntrans-72.7-13.1174.400000114.7I217 K219I217-G221 PolarHBondContact O-N 3.37Å; K219-G221 VanDerWaalsContact C-N 3.26Å; K219-G221 PolarHBondContact O-N 2.71Å
222K93.6Very high95.5Very high126 Ų12654.4 Ų54.455%0.54830%0.299SS..THydrogen-bonded Turntrans-97.5-4.2-179.7-69172.8179.3177.80113.5E218 K219 G220E218-K222 WeakPolarHBondContact O-CG 3.32Å; E218-K222 IonicContact OE1-NZ 2.75Å; E218-K222 PolarHBondContact OE1-NZ 2.81Å; K219-K222 PolarHBondContact O-N 3.49Å; K219-K222 VanDerWaalsContact O-N 3.08Å; G220-K222 PolarHBondContact O-N 2.86Å
223L92.6Very high95.7Very high15 Ų1553.7 Ų53.78%0.07930%0.297CS..SBendtrans-74.7142178.7-63.2-177.7000111.5E75 R178 R181 V182 K185 L225E75-L223 HydrophobicContact CB-CD2 4.39Å; E75-L223 WeakPolarHBondContact OE2-CD2 3.48Å; R178-L223 HydrophobicContact CG-CD1 4.3Å; R181-L223 HydrophobicContact CB-CD1 3.6Å; V182-L223 HydrophobicContact CB-CD1 4.5Å; V182-L223 HydrophobicContact CG2-CD1 3.48Å; V182-L223 VanDerWaalsContact CG2-CD1 3.48Å; V182-L223 HydrophobicContact CG2-CG 4.2Å; K185-L223 HydrophobicContact CD-CD2 3.9Å; L223-L225 HydrophobicContact CB-CD2 4.01Å; L223-L225 HydrophobicContact CB-CG 4.13Å; L223-L225 HydrophobicContact CD1-CD2 4.45Å; L223-L225 PolarHBondContact O-N 3.44Å
224E94.3Very high95.8Very high87 Ų8752.6 Ų52.641%0.40729%0.292SS..  trans-74.3116.4166.2-152.9-58.611300110.5E75 R181 S226E75-E224 HydrophobicContact CG-CB 3.9Å; E75-E224 VanDerWaalsContact OE1-CB 3.23Å; E75-E224 WeakPolarHBondContact OE1-CB 3Å; E75-E224 PolarHBondContact OE1-N 3.5Å; R181-E224 PolarHBondContact NH1-O 3.32Å; E224-S226 WeakPolarHBondContact OE1-CA 3.31Å; E224-S226 WeakPolarHBondContact OE1-CB 3.29Å; E224-S226 PolarHBondContact OE1-N 3.35Å; E224-S226 PolarHBondContact OE1-OG 2.99Å; E224-S226 PolarHBondContact OE2-OG 3.13Å; E224-S226 VanDerWaalsContact OE2-OG 3.09Å
225L96.3Very high96Very high17 Ų1751.7 Ų51.79%0.08928%0.282CS..  trans-128.215.9-174.8-55.9175.8000113.2F174 R178 R181 L223 D227 L228 L229F174-L225 HydrophobicContact CE1-CD1 4.21Å; F174-L225 HydrophobicContact CE2-CB 4.07Å; F174-L225 HydrophobicContact CE2-CD1 4.08Å; F174-L225 HydrophobicContact CZ-CB 4.3Å; F174-L225 HydrophobicContact CZ-CD1 3.56Å; R178-L225 HydrophobicContact CB-CD1 4.06Å; R178-L225 HydrophobicContact CG-CD1 3.88Å; R181-L225 VanDerWaalsContact NH1-CD2 3.27Å; L223-L225 HydrophobicContact CB-CD2 4.01Å; L223-L225 HydrophobicContact CB-CG 4.13Å; L223-L225 HydrophobicContact CD1-CD2 4.45Å; L223-L225 PolarHBondContact O-N 3.44Å; L225-D227 PolarHBondContact O-N 2.88Å; L225-L228 HydrophobicContact CD2-CD1 4.19Å; L225-L228 PolarHBondContact O-N 2.92Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 3.3Å; L225-L229 VanDerWaalsContact O-N 3.08Å
226S96.9Very high96.2Very high63 Ų6357.8 Ų57.844%0.44131%0.309SS..Hα-helixtrans-59.7-29.2-177.862.50000113E224 L228 L229 S230E224-S226 WeakPolarHBondContact OE1-CA 3.31Å; E224-S226 WeakPolarHBondContact OE1-CB 3.29Å; E224-S226 PolarHBondContact OE1-N 3.35Å; E224-S226 PolarHBondContact OE1-OG 2.99Å; E224-S226 PolarHBondContact OE2-OG 3.13Å; E224-S226 VanDerWaalsContact OE2-OG 3.09Å; S226-L228 VanDerWaalsContact C-N 3.35Å; S226-L228 PolarHBondContact O-N 2.88Å; S226-L229 PolarHBondContact O-N 3.09Å; S226-S230 VanDerWaalsContact O-CB 3.28Å; S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 2.97Å; S226-S230 PolarHBondContact O-OG 2.99Å
227D97.1Very high96.4Very high40 Ų4057.8 Ų57.821%0.21431%0.308CS..Hα-helixtrans-61.4-41.3174.371.4-57.7000112.4R149 R181 L225 S230 D231R149-D227 IonicContact CZ-OD1 3.69Å; R149-D227 IonicContact CZ-OD2 3.19Å; R149-D227 VanDerWaalsContact NE-CG 3.3Å; R149-D227 IonicContact NE-OD1 3.77Å; R149-D227 IonicContact NE-OD2 3.55Å; R149-D227 PolarHBondContact NE-OD2 3.31Å; R149-D227 IonicContact NH2-OD1 3.77Å; R149-D227 PolarHBondContact NH2-OD1 3.46Å; R149-D227 IonicContact NH2-OD2 2.66Å; R149-D227 PolarHBondContact NH2-OD2 3.32Å; R181-D227 IonicContact CZ-OD1 3.56Å; R181-D227 IonicContact CZ-OD2 3.17Å; R181-D227 IonicContact NH1-OD1 2.81Å; R181-D227 PolarHBondContact NH1-OD1 3.45Å; R181-D227 IonicContact NH1-OD2 2.71Å; R181-D227 IonicContact NH2-OD1 2.79Å; R181-D227 PolarHBondContact NH2-OD1 3.22Å; R181-D227 IonicContact NH2-OD2 3.28Å; R181-D227 PolarHBondContact NH2-OD2 2.98Å; L225-D227 PolarHBondContact O-N 2.88Å; D227-S230 PolarHBondContact O-OG 3.44Å; D227-S230 VanDerWaalsContact O-OG 3.11Å; D227-D231 PolarHBondContact O-N 3.42Å
228L98.1Very high96.5Very high0 Ų057.6 Ų57.60%030%0.302CS..Hα-helixtrans-76.1-37.9178.1-60.1176.9000111W146 F174 A177 L225 S226 S230 D231 V234W146-L228 HydrophobicContact CB-CD2 3.91Å; W146-L228 HydrophobicContact CG-CD2 4.36Å; F174-L228 HydrophobicContact CD2-CB 3.67Å; F174-L228 HydrophobicContact CD2-CD1 4.17Å; F174-L228 HydrophobicContact CE2-CB 4.1Å; A177-L228 HydrophobicContact CB-CD1 3.62Å; A177-L228 HydrophobicContact CB-CD2 4.36Å; L225-L228 HydrophobicContact CD2-CD1 4.19Å; L225-L228 PolarHBondContact O-N 2.92Å; S226-L228 VanDerWaalsContact C-N 3.35Å; S226-L228 PolarHBondContact O-N 2.88Å; L228-S230 VanDerWaalsContact C-N 3.3Å; L228-S230 PolarHBondContact O-N 3.13Å; L228-D231 PolarHBondContact O-N 3.21Å; L228-V234 HydrophobicContact CB-CG1 4.42Å
229L98.1Very high96.7Very high102 Ų10264.2 Ų64.253%0.53432%0.323SS..Hα-helixtrans-65.5-33.1176.9-67.7172.6000112.4F174 L225 S226 M235F174-L229 HydrophobicContact CD2-CD2 4.3Å; F174-L229 HydrophobicContact CE2-CD2 3.6Å; F174-L229 HydrophobicContact CE2-CG 3.88Å; F174-L229 HydrophobicContact CZ-CD2 4.17Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 3.3Å; L225-L229 VanDerWaalsContact O-N 3.08Å; S226-L229 PolarHBondContact O-N 3.09Å; L229-M235 HydrophobicContact CD2-CE 4.38Å; L229-M235 HydrophobicContact CD2-SD 4.21Å; L229-M235 WeakPolarHBondContact O-CG 3.43Å
230S98Very high96.8Very high89 Ų8966 Ų6662%0.62233%0.332SS*.Hα-helixtrans-83.4-15.3177.660.60000113.4S226 D227 L228 K232S226-S230 VanDerWaalsContact O-CB 3.28Å; S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 2.97Å; S226-S230 PolarHBondContact O-OG 2.99Å; D227-S230 PolarHBondContact O-OG 3.44Å; D227-S230 VanDerWaalsContact O-OG 3.11Å; L228-S230 VanDerWaalsContact C-N 3.3Å; L228-S230 PolarHBondContact O-N 3.13Å; S230-K232 PolarHBondContact O-N 3.12Å
231D98.5Very high97Very high18 Ų1866.9 Ų66.910%0.09633%0.334CS..  trans-75.8104.4175.3-175.3-39.5000111.1W146 R158 D227 L228 V233 V234 M235W146-D231 PolarHBondContact NE1-OD2 3.29Å; R158-D231 IonicContact CZ-OD1 3.37Å; R158-D231 IonicContact CZ-OD2 3.63Å; R158-D231 IonicContact NE-OD1 3.75Å; R158-D231 IonicContact NE-OD2 2.94Å; R158-D231 PolarHBondContact NE-OD2 3.09Å; R158-D231 VanDerWaalsContact NE-OD2 3.16Å; R158-D231 IonicContact NH1-OD2 3.81Å; R158-D231 IonicContact NH2-OD1 2.72Å; R158-D231 PolarHBondContact NH2-OD1 3.21Å; R158-D231 IonicContact NH2-OD2 3.65Å; R158-D231 PolarHBondContact NH2-OD2 3.4Å; D227-D231 PolarHBondContact O-N 3.42Å; L228-D231 PolarHBondContact O-N 3.21Å; D231-V233 VanDerWaalsContact C-N 3.26Å; D231-V233 PolarHBondContact O-N 3.07Å; D231-V233 WeakPolarHBondContact OD1-CA 3.35Å; D231-V233 WeakPolarHBondContact OD1-CB 3.37Å; D231-V233 PolarHBondContact OD1-N 3.45Å; D231-V234 HydrophobicContact CB-CB 3.91Å; D231-V234 HydrophobicContact CB-CG2 3.74Å; D231-V234 PolarHBondContact O-N 3.42Å; D231-V234 PolarHBondContact OD1-N 3.21Å; D231-M235 WeakPolarHBondContact O-CG 3.31Å; D231-M235 PolarHBondContact O-N 3.48Å
232K98.6Very high97Very high181 Ų18168.1 Ų68.179%0.78732%0.321SS*.Hα-helixtrans-59.4-30178.8-65.4-178.3-179.1177.50114.3S230 F236S230-K232 PolarHBondContact O-N 3.12Å; K232-F236 WeakPolarHBondContact O-CB 3.01Å; K232-F236 PolarHBondContact O-N 3.38Å
233V98.8Very high97Very high16 Ų1666.8 Ų66.810%0.09732%0.319CS..Hα-helixtrans-73.4-45.2178.9176.80000109.7L155 R158 I159 A162 D231 F236 Q237L155-V233 HydrophobicContact CD1-CG2 3.62Å; R158-V233 HydrophobicContact CB-CG1 4.48Å; R158-V233 HydrophobicContact CB-CG2 4.3Å; I159-V233 HydrophobicContact CG1-CG2 4.28Å; A162-V233 HydrophobicContact CB-CG1 3.64Å; D231-V233 VanDerWaalsContact C-N 3.26Å; D231-V233 PolarHBondContact O-N 3.07Å; D231-V233 WeakPolarHBondContact OD1-CA 3.35Å; D231-V233 WeakPolarHBondContact OD1-CB 3.37Å; D231-V233 PolarHBondContact OD1-N 3.45Å; V233-F236 PolarHBondContact O-N 3.43Å; V233-Q237 WeakPolarHBondContact O-CB 3.13Å; V233-Q237 PolarHBondContact O-N 3.28Å
234V98.8Very high97.2Very high0 Ų067.2 Ų67.20%032%0.323CS..Hα-helixtrans-57.7-51.5174.6172.10000110.1W146 I173 F174 L228 D231 F236 Q237 R238W146-V234 HydrophobicContact CD2-CG2 4.27Å; W146-V234 HydrophobicContact CG-CG2 4.14Å; W146-V234 HydrophobicContact CZ2-CG2 4.45Å; W146-V234 VanDerWaalsContact NE1-CG2 3.32Å; I173-V234 HydrophobicContact CB-CG1 4.24Å; I173-V234 HydrophobicContact CB-CG2 4.34Å; I173-V234 HydrophobicContact CD1-CG2 4.48Å; I173-V234 HydrophobicContact CG2-CG1 4.26Å; I173-V234 HydrophobicContact CG2-CG2 3.84Å; F174-V234 HydrophobicContact CB-CG1 3.95Å; L228-V234 HydrophobicContact CB-CG1 4.42Å; D231-V234 HydrophobicContact CB-CB 3.91Å; D231-V234 HydrophobicContact CB-CG2 3.74Å; D231-V234 PolarHBondContact O-N 3.42Å; D231-V234 PolarHBondContact OD1-N 3.21Å; V234-F236 PolarHBondContact O-N 2.71Å; V234-Q237 PolarHBondContact O-N 2.94Å; V234-R238 WeakPolarHBondContact O-CB 3.45Å; V234-R238 PolarHBondContact O-N 3.16Å
235M98.6Very high97.2Very high54 Ų5463.1 Ų63.127%0.26630%0.304SS..Hα-helixtrans-69.5-32.4-177.6-64.5-52.9-63.700113L229 D231 R239L229-M235 HydrophobicContact CD2-CE 4.38Å; L229-M235 HydrophobicContact CD2-SD 4.21Å; L229-M235 WeakPolarHBondContact O-CG 3.43Å; D231-M235 WeakPolarHBondContact O-CG 3.31Å; D231-M235 PolarHBondContact O-N 3.48Å; M235-R239 WeakPolarHBondContact O-CB 3.31Å; M235-R239 PolarHBondContact O-N 3.07Å
236F98.6Very high97.1Very high131 Ų13164.1 Ų64.158%0.57531%0.309SS*.Hα-helixtrans-64.6-47.8171.3179-92.2000111.3K232 V233 V234 R238 R239 H240K232-F236 WeakPolarHBondContact O-CB 3.01Å; K232-F236 PolarHBondContact O-N 3.38Å; V233-F236 PolarHBondContact O-N 3.43Å; V234-F236 PolarHBondContact O-N 2.71Å; F236-R238 VanDerWaalsContact C-N 3.35Å; F236-R238 PolarHBondContact O-N 3.35Å; F236-R239 PolarHBondContact O-N 2.81Å; F236-H240 AromaticContact CD2-CD2 3.68Å; F236-H240 AromaticContact CE2-CD2 3.44Å; F236-H240 VanDerWaalsContact CE2-CD2 3.44Å; F236-H240 WeakPolarHBondContact CE2-CD2 3.49Å; F236-H240 AromaticContact CE2-NE2 3.7Å; F236-H240 AromaticContact CZ-CD2 3.69Å; F236-H240 PolarHBondContact O-CD2 3.44Å; F236-H240 PolarHBondContact O-N 3.35Å
237Q98.4Very high97.1Very high6 Ų664.5 Ų64.53%0.02831%0.306CS..Hα-helixtrans-61.4-43.9177.9-173.7-103.69.700111N165 S166 D172 I173 V233 V234 R239 H240 Y241N165-Q237 PolarHBondContact OD1-NE2 3.01Å; S166-Q237 PolarHBondContact OG-NE2 3.05Å; D172-Q237 VanDerWaalsContact CB-OE1 3.28Å; I173-Q237 HydrophobicContact CD1-CB 4.43Å; I173-Q237 HydrophobicContact CD1-CG 4.37Å; V233-Q237 WeakPolarHBondContact O-CB 3.13Å; V233-Q237 PolarHBondContact O-N 3.28Å; V234-Q237 PolarHBondContact O-N 2.94Å; Q237-R239 PolarHBondContact O-N 2.83Å; Q237-H240 CarbonylContact O-C 3.58Å; Q237-H240 PolarHBondContact O-N 3.06Å; Q237-Y241 WeakPolarHBondContact O-CA 3.36Å; Q237-Y241 VanDerWaalsContact O-CB 3.28Å; Q237-Y241 WeakPolarHBondContact O-CB 3.38Å; Q237-Y241 PolarHBondContact O-N 3.17Å
238R98.2Very high97.1Very high91 Ų9164.1 Ų64.134%0.34330%0.303SS..Hα-helixtrans-57.6-47.9174.1-176.7173.9-178.576.97.2112.3D172 V234 F236 H240 Y241D172-R238 HydrophobicContact CB-CB 4.29Å; D172-R238 HydrophobicContact CB-CG 4.44Å; D172-R238 WeakPolarHBondContact OD1-CG 3.42Å; D172-R238 IonicContact OD1-CZ 3.56Å; D172-R238 IonicContact OD1-NH1 2.61Å; D172-R238 PolarHBondContact OD1-NH1 3.16Å; D172-R238 IonicContact OD2-CZ 3.09Å; D172-R238 IonicContact OD2-NH1 2.88Å; D172-R238 PolarHBondContact OD2-NH1 2.9Å; V234-R238 WeakPolarHBondContact O-CB 3.45Å; V234-R238 PolarHBondContact O-N 3.16Å; F236-R238 VanDerWaalsContact C-N 3.35Å; F236-R238 PolarHBondContact O-N 3.35Å; R238-H240 VanDerWaalsContact C-N 3.28Å; R238-H240 PolarHBondContact O-N 3.37Å; R238-Y241 WeakPolarHBondContact O-CB 3.19Å; R238-Y241 PolarHBondContact O-N 2.94Å
239R97.8Very high97.1Very high207 Ų20764.1 Ų64.178%0.78130%0.303SS*.Hα-helixtrans-61.7-35.2179.7-176.4178-176.8176.10.4112.9M235 F236 Q237M235-R239 WeakPolarHBondContact O-CB 3.31Å; M235-R239 PolarHBondContact O-N 3.07Å; F236-R239 PolarHBondContact O-N 2.81Å; Q237-R239 PolarHBondContact O-N 2.83Å
240H97.3Very high97Very high72 Ų7259.8 Ų59.833%0.33328%0.28SS..THydrogen-bonded Turntrans-108.215.1-176.3-63.9-71000113.5F236 Q237 R238 K242 L243 S244F236-H240 AromaticContact CD2-CD2 3.68Å; F236-H240 AromaticContact CE2-CD2 3.44Å; F236-H240 VanDerWaalsContact CE2-CD2 3.44Å; F236-H240 WeakPolarHBondContact CE2-CD2 3.49Å; F236-H240 AromaticContact CE2-NE2 3.7Å; F236-H240 AromaticContact CZ-CD2 3.69Å; F236-H240 PolarHBondContact O-CD2 3.44Å; F236-H240 PolarHBondContact O-N 3.35Å; Q237-H240 CarbonylContact O-C 3.58Å; Q237-H240 PolarHBondContact O-N 3.06Å; R238-H240 VanDerWaalsContact C-N 3.28Å; R238-H240 PolarHBondContact O-N 3.37Å; H240-K242 VanDerWaalsContact C-N 3.32Å; H240-K242 PolarHBondContact O-N 3.49Å; H240-L243 PolarHBondContact O-N 3.41Å; H240-L243 VanDerWaalsContact O-N 3.09Å; H240-S244 PolarHBondContact O-N 3.03Å
241Y95.6Very high97Very high21 Ų2159.9 Ų59.98%0.08227%0.27CS..Hα-helixtrans-58.2-42.2-165.7-177.2-115.1000113.3F169 N171 D172 Q237 R238 L243 S244 V245F169-Y241 VanDerWaalsContact CD2-OH 3.31Å; F169-Y241 WeakPolarHBondContact CD2-OH 3.46Å; F169-Y241 HydrophobicContact CE2-CE1 4.46Å; N171-Y241 VanDerWaalsContact CA-CZ 3.5Å; N171-Y241 WeakPolarHBondContact CA-OH 3.39Å; N171-Y241 PolarHBondContact N-OH 2.95Å; N171-Y241 PolarHBondContact O-OH 2.89Å; D172-Y241 HydrophobicContact CB-CD1 4.3Å; D172-Y241 HydrophobicContact CB-CD2 3.67Å; D172-Y241 HydrophobicContact CB-CE2 4.05Å; D172-Y241 HydrophobicContact CB-CG 3.82Å; D172-Y241 VanDerWaalsContact N-CZ 3.34Å; Q237-Y241 WeakPolarHBondContact O-CA 3.36Å; Q237-Y241 VanDerWaalsContact O-CB 3.28Å; Q237-Y241 WeakPolarHBondContact O-CB 3.38Å; Q237-Y241 PolarHBondContact O-N 3.17Å; R238-Y241 WeakPolarHBondContact O-CB 3.19Å; R238-Y241 PolarHBondContact O-N 2.94Å; Y241-L243 VanDerWaalsContact C-N 3.32Å; Y241-L243 PolarHBondContact O-N 3.48Å; Y241-S244 WeakPolarHBondContact CA-OG 3.39Å; Y241-S244 PolarHBondContact O-N 2.97Å; Y241-S244 PolarHBondContact O-OG 2.77Å; Y241-V245 HydrophobicContact CD1-CG2 4.41Å; Y241-V245 HydrophobicContact CD2-CG2 3.93Å; Y241-V245 HydrophobicContact CE1-CG2 3.95Å; Y241-V245 HydrophobicContact CE2-CG2 3.4Å; Y241-V245 VanDerWaalsContact CE2-CG2 3.4Å; Y241-V245 HydrophobicContact CG-CG2 4.38Å; Y241-V245 WeakPolarHBondContact O-CB 3.37Å; Y241-V245 WeakPolarHBondContact O-CG2 3.33Å; Y241-V245 PolarHBondContact O-N 3.11Å
242K92.8Very high97Very high95 Ų9561.3 Ų61.341%0.41328%0.277SS..Hα-helixtrans-59-45.9-179.8-44.6-162.2173.3-1780111.6C15 N16 H240 L246C15-K242 HydrophobicContact CB-CB 3.68Å; C15-K242 HydrophobicContact CB-CD 3.47Å; C15-K242 VanDerWaalsContact CB-CD 3.47Å; C15-K242 HydrophobicContact CB-CG 3.5Å; C15-K242 VanDerWaalsContact CB-CG 3.5Å; C15-K242 WeakPolarHBondContact O-CE 3.34Å; N16-K242 PolarHBondContact OD1-NZ 3.32Å; H240-K242 VanDerWaalsContact C-N 3.32Å; H240-K242 PolarHBondContact O-N 3.49Å; K242-L246 PolarHBondContact O-N 3.29Å; K242-L246 VanDerWaalsContact O-N 3.17Å
243L94.4Very high97Very high98 Ų9852.7 Ų52.751%0.51324%0.239SC..Hα-helixtrans-72-42.6179.6-179.361.5000110.9H240 Y241 V245 L246 L247H240-L243 PolarHBondContact O-N 3.41Å; H240-L243 VanDerWaalsContact O-N 3.09Å; Y241-L243 VanDerWaalsContact C-N 3.32Å; Y241-L243 PolarHBondContact O-N 3.48Å; L243-V245 VanDerWaalsContact C-N 3.35Å; L243-V245 PolarHBondContact O-N 3.16Å; L243-L246 PolarHBondContact O-N 2.78Å; L243-L247 HydrophobicContact CD1-CD1 3.96Å; L243-L247 HydrophobicContact CD1-CG 4.1Å; L243-L247 HydrophobicContact CG-CD1 3.96Å; L243-L247 HydrophobicContact CG-CG 4.46Å; L243-L247 WeakPolarHBondContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CG 3.32Å; L243-L247 PolarHBondContact O-N 3.3Å
244S95.4Very high96.9Very high23 Ų2353.4 Ų53.416%0.16124%0.242CC..Hα-helixtrans-62.9-41.7-179.573.10000111.5S166 H240 Y241 L247 M248S166-S244 PolarHBondContact OG-OG 3.44Å; S166-S244 VanDerWaalsContact OG-OG 3.06Å; H240-S244 PolarHBondContact O-N 3.03Å; Y241-S244 WeakPolarHBondContact CA-OG 3.39Å; Y241-S244 PolarHBondContact O-N 2.97Å; Y241-S244 PolarHBondContact O-OG 2.77Å; S244-L247 PolarHBondContact O-N 2.86Å; S244-M248 WeakPolarHBondContact O-CB 3.25Å; S244-M248 WeakPolarHBondContact O-CG 3.3Å; S244-M248 PolarHBondContact O-N 2.86Å
245V94.4Very high96.9Very high2 Ų256.2 Ų56.21%0.01225%0.254CS..Hα-helixtrans-64.9-46.6175165.70000111.7F169 Y241 L243 L247 M248 C249 F250F169-V245 HydrophobicContact CB-CG1 3.93Å; F169-V245 HydrophobicContact CB-CG2 4.35Å; F169-V245 HydrophobicContact CD1-CG1 3.46Å; F169-V245 VanDerWaalsContact CD1-CG1 3.46Å; F169-V245 HydrophobicContact CD2-CB 4.3Å; F169-V245 HydrophobicContact CD2-CG1 3.5Å; F169-V245 VanDerWaalsContact CD2-CG1 3.5Å; F169-V245 HydrophobicContact CD2-CG2 3.81Å; F169-V245 HydrophobicContact CE1-CG1 3.62Å; F169-V245 HydrophobicContact CE2-CB 4.48Å; F169-V245 HydrophobicContact CE2-CG1 3.64Å; F169-V245 HydrophobicContact CE2-CG2 4.26Å; F169-V245 HydrophobicContact CG-CB 4.44Å; F169-V245 HydrophobicContact CG-CG1 3.35Å; F169-V245 HydrophobicContact CG-CG2 4.19Å; F169-V245 HydrophobicContact CZ-CG1 3.66Å; Y241-V245 HydrophobicContact CD1-CG2 4.41Å; Y241-V245 HydrophobicContact CD2-CG2 3.93Å; Y241-V245 HydrophobicContact CE1-CG2 3.95Å; Y241-V245 HydrophobicContact CE2-CG2 3.4Å; Y241-V245 VanDerWaalsContact CE2-CG2 3.4Å; Y241-V245 HydrophobicContact CG-CG2 4.38Å; Y241-V245 WeakPolarHBondContact O-CB 3.37Å; Y241-V245 WeakPolarHBondContact O-CG2 3.33Å; Y241-V245 PolarHBondContact O-N 3.11Å; L243-V245 VanDerWaalsContact C-N 3.35Å; L243-V245 PolarHBondContact O-N 3.16Å; V245-L247 PolarHBondContact O-N 2.84Å; V245-M248 PolarHBondContact O-N 2.79Å; V245-C249 HydrophobicContact CG1-CB 4.14Å; V245-C249 WeakPolarHBondContact O-CA 3.32Å; V245-C249 WeakPolarHBondContact O-CB 3.27Å; V245-C249 PolarHBondContact O-N 3.4Å; V245-F250 HydrophobicContact CG1-CE2 4.25Å
246L94.4Very high96.9Very high37 Ų3754.7 Ų54.719%0.19425%0.248CC..Iπ-helixtrans-57.4-45180179.967000110.8T8 L12 K242 L243 F250 F251T8-L246 HydrophobicContact CG2-CD1 3.48Å; T8-L246 VanDerWaalsContact CG2-CD1 3.48Å; T8-L246 HydrophobicContact CG2-CD2 4.22Å; T8-L246 HydrophobicContact CG2-CG 4.49Å; L12-L246 HydrophobicContact CD1-CD2 4.31Å; L12-L246 HydrophobicContact CD2-CD2 4.19Å; L12-L246 HydrophobicContact CG-CD2 4.5Å; K242-L246 PolarHBondContact O-N 3.29Å; K242-L246 VanDerWaalsContact O-N 3.17Å; L243-L246 PolarHBondContact O-N 2.78Å; L246-F250 PolarHBondContact O-N 3.19Å; L246-F251 PolarHBondContact O-N 3.03Å
247L96.9Very high96.9Very high72 Ų7248.5 Ų48.538%0.37722%0.221SC..Iπ-helixtrans-69.8-52.4179.9-67.7176.5000111.8L243 S244 V245 F251 I252L243-L247 HydrophobicContact CD1-CD1 3.96Å; L243-L247 HydrophobicContact CD1-CG 4.1Å; L243-L247 HydrophobicContact CG-CD1 3.96Å; L243-L247 HydrophobicContact CG-CG 4.46Å; L243-L247 WeakPolarHBondContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CG 3.32Å; L243-L247 PolarHBondContact O-N 3.3Å; S244-L247 PolarHBondContact O-N 2.86Å; V245-L247 PolarHBondContact O-N 2.84Å; L247-F251 HydrophobicContact CD2-CB 4.46Å; L247-F251 HydrophobicContact CD2-CD1 4.3Å; L247-F251 PolarHBondContact O-N 3.27Å; L247-I252 WeakPolarHBondContact O-CB 3.36Å; L247-I252 WeakPolarHBondContact O-CG1 3.44Å; L247-I252 PolarHBondContact O-N 2.91Å
248M98.1Very high96.9Very high32 Ų3253.6 Ų53.616%0.15824%0.24CC..Iπ-helixtrans-81-39.3-169.8-62.4-53.5-43.700113.2V163 M167 S244 V245 I252 P253V163-M248 HydrophobicContact CG1-CE 3.37Å; V163-M248 HydrophobicContact CG1-CG 4.28Å; V163-M248 HydrophobicContact CG1-SD 3.82Å; M167-M248 HydrophobicContact CB-CB 4.09Å; M167-M248 HydrophobicContact CE-CE 3.64Å; M167-M248 WeakPolarHBondContact CG-O 3.4Å; S244-M248 WeakPolarHBondContact O-CB 3.25Å; S244-M248 WeakPolarHBondContact O-CG 3.3Å; S244-M248 PolarHBondContact O-N 2.86Å; V245-M248 PolarHBondContact O-N 2.79Å; M248-I252 HydrophobicContact CE-CD1 3.63Å; M248-I252 HydrophobicContact SD-CD1 3.35Å; M248-I252 WeakPolarHBondContact SD-CD1 3.11Å; M248-P253 WeakPolarHBondContact O-CD 3.29Å; M248-P253 VanDerWaalsContact O-CG 3.31Å; M248-P253 WeakPolarHBondContact O-CG 3.27Å
249C97.8Very high96.9Very high0 Ų056.5 Ų56.50%025%0.252CS..Iπ-helixtrans-84.2-31.8-176.4-1730000112.7M167 F169 V245 R276M167-C249 WeakPolarHBondContact O-CB 3.21Å; M167-C249 PolarHBondContact O-SG 3.2Å; F169-C249 HydrophobicContact CB-CB 4.08Å; V245-C249 HydrophobicContact CG1-CB 4.14Å; V245-C249 WeakPolarHBondContact O-CA 3.32Å; V245-C249 WeakPolarHBondContact O-CB 3.27Å; V245-C249 PolarHBondContact O-N 3.4Å; C249-R276 PolarHBondContact O-NH2 3.4Å
250F96Very high96.9Very high10 Ų1053.2 Ų53.24%0.04424%0.244CC..Iπ-helixtrans-117.4-55.1-174.4-59.4-73.8000113.2F11 F169 V245 L246 M254 L274 Y277F11-F250 HydrophobicContact CB-CE2 4.36Å; F11-F250 HydrophobicContact CD1-CE2 4.1Å; F11-F250 AromaticContact CD1-CZ 3.75Å; F11-F250 HydrophobicContact CD1-CZ 3.75Å; F11-F250 HydrophobicContact CD2-CE1 4.25Å; F11-F250 HydrophobicContact CD2-CE2 4.49Å; F11-F250 AromaticContact CD2-CZ 3.96Å; F11-F250 HydrophobicContact CD2-CZ 3.96Å; F11-F250 AromaticContact CE1-CZ 3.75Å; F11-F250 HydrophobicContact CE1-CZ 3.75Å; F11-F250 HydrophobicContact CE2-CE1 4.09Å; F11-F250 HydrophobicContact CE2-CZ 4Å; F11-F250 HydrophobicContact CG-CE2 4.08Å; F11-F250 AromaticContact CG-CZ 3.86Å; F11-F250 HydrophobicContact CG-CZ 3.86Å; F11-F250 HydrophobicContact CZ-CE1 4.24Å; F11-F250 AromaticContact CZ-CZ 3.9Å; F11-F250 HydrophobicContact CZ-CZ 3.9Å; F169-F250 AromaticContact CD1-CE2 3.73Å; F169-F250 HydrophobicContact CD1-CE2 3.73Å; F169-F250 AromaticContact CD1-CZ 3.85Å; F169-F250 HydrophobicContact CD1-CZ 3.85Å; F169-F250 AromaticContact CE1-CE2 3.64Å; F169-F250 HydrophobicContact CE1-CE2 3.64Å; F169-F250 AromaticContact CE1-CZ 3.85Å; F169-F250 HydrophobicContact CE1-CZ 3.85Å; V245-F250 HydrophobicContact CG1-CE2 4.25Å; L246-F250 PolarHBondContact O-N 3.19Å; F250-M254 VanDerWaalsContact O-CB 3.28Å; F250-M254 WeakPolarHBondContact O-CB 3.5Å; F250-M254 PolarHBondContact O-N 3.39Å; F250-L274 HydrophobicContact CD1-CD2 4.31Å; F250-L274 HydrophobicContact CE1-CD2 3.95Å; F250-Y277 HydrophobicContact CE1-CD1 4.16Å; F250-Y277 HydrophobicContact CZ-CD1 4.09Å; F250-Y277 HydrophobicContact CZ-CE1 4.15Å
251F97.6Very high97Very high92 Ų9254 Ų5440%0.40424%0.244SC..Iπ-helixtrans-65.8-54.3-171.8-177.5-99.2000112.3L246 L247 M254 F255L246-F251 PolarHBondContact O-N 3.03Å; L247-F251 HydrophobicContact CD2-CB 4.46Å; L247-F251 HydrophobicContact CD2-CD1 4.3Å; L247-F251 PolarHBondContact O-N 3.27Å; F251-M254 HydrophobicContact CD2-CE 4.37Å; F251-M254 PolarHBondContact O-N 2.92Å; F251-F255 HydrophobicContact CD1-CB 4.33Å; F251-F255 HydrophobicContact CE1-CB 4.05Å; F251-F255 HydrophobicContact CE1-CD1 4.44Å; F251-F255 HydrophobicContact CE1-CD2 4.34Å; F251-F255 HydrophobicContact CE1-CG 4.02Å; F251-F255 HydrophobicContact CE2-CB 4.43Å; F251-F255 HydrophobicContact CE2-CD2 4.3Å; F251-F255 HydrophobicContact CZ-CB 4.1Å; F251-F255 AromaticContact CZ-CD2 3.77Å; F251-F255 HydrophobicContact CZ-CD2 3.77Å; F251-F255 HydrophobicContact CZ-CE2 4.38Å; F251-F255 AromaticContact CZ-CG 3.92Å; F251-F255 HydrophobicContact CZ-CG 3.92Å; F251-F255 WeakPolarHBondContact O-CB 3.12Å; F251-F255 PolarHBondContact O-N 3.25Å
252I98.3Very high97.1Very high48 Ų4856 Ų5625%0.24627%0.271CS..Hα-helixtrans-61.9-48.7-177.6-75.6165000112W126 L247 M248 M254 F255 V256W126-I252 HydrophobicContact CZ2-CG2 3.95Å; L247-I252 WeakPolarHBondContact O-CB 3.36Å; L247-I252 WeakPolarHBondContact O-CG1 3.44Å; L247-I252 PolarHBondContact O-N 2.91Å; M248-I252 HydrophobicContact CE-CD1 3.63Å; M248-I252 HydrophobicContact SD-CD1 3.35Å; M248-I252 WeakPolarHBondContact SD-CD1 3.11Å; I252-M254 PolarHBondContact O-N 3.2Å; I252-F255 PolarHBondContact O-N 3.34Å; I252-V256 HydrophobicContact CG2-CG2 4.18Å; I252-V256 WeakPolarHBondContact O-CG2 3.19Å; I252-V256 PolarHBondContact O-N 3.34Å; I252-V256 VanDerWaalsContact O-N 3.13Å
253P98.4Very high97.4Very high0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-60.2-32.5179.3-28.438.1000113.6W126 M248 P257 P272W126-P253 PolarHBondContact NE1-O 3.05Å; M248-P253 WeakPolarHBondContact O-CD 3.29Å; M248-P253 VanDerWaalsContact O-CG 3.31Å; M248-P253 WeakPolarHBondContact O-CG 3.27Å; P253-P257 WeakPolarHBondContact O-CD 3.35Å; P253-P257 WeakPolarHBondContact O-CG 3.49Å; P253-P272 HydrophobicContact CB-CB 4.33Å; P253-P272 VanDerWaalsContact CB-O 3.23Å; P253-P272 WeakPolarHBondContact CB-O 3.11Å; P253-P272 VanDerWaalsContact O-CG 3.3Å; P253-P272 WeakPolarHBondContact O-CG 3.24Å
254M98.1Very high97.5Very high30 Ų3050.7 Ų50.715%0.14825%0.251CS..Hα-helixtrans-82.2-43176.6177.3-165.466.900113.2F250 F251 I252 P257 A268 Y269 A273F250-M254 VanDerWaalsContact O-CB 3.28Å; F250-M254 WeakPolarHBondContact O-CB 3.5Å; F250-M254 PolarHBondContact O-N 3.39Å; F251-M254 HydrophobicContact CD2-CE 4.37Å; F251-M254 PolarHBondContact O-N 2.92Å; I252-M254 PolarHBondContact O-N 3.2Å; M254-P257 WeakPolarHBondContact O-CD 3.22Å; M254-A268 WeakPolarHBondContact CA-O 3.44Å; M254-A268 HydrophobicContact CG-CB 4.25Å; M254-A268 VanDerWaalsContact O-CB 3.31Å; M254-A268 WeakPolarHBondContact O-CB 3.32Å; M254-Y269 HydrophobicContact SD-CD2 3.78Å; M254-Y269 HydrophobicContact SD-CG 4.4Å; M254-A273 HydrophobicContact CB-CB 4.47Å
255F98.1Very high97.6Very high60 Ų6053 Ų5326%0.26326%0.262SS..Hα-helixtrans-71.3-41.7-171.9177.1-95.1000112F251 I252 W258 Y259F251-F255 HydrophobicContact CD1-CB 4.33Å; F251-F255 HydrophobicContact CE1-CB 4.05Å; F251-F255 HydrophobicContact CE1-CD1 4.44Å; F251-F255 HydrophobicContact CE1-CD2 4.34Å; F251-F255 HydrophobicContact CE1-CG 4.02Å; F251-F255 HydrophobicContact CE2-CB 4.43Å; F251-F255 HydrophobicContact CE2-CD2 4.3Å; F251-F255 HydrophobicContact CZ-CB 4.1Å; F251-F255 AromaticContact CZ-CD2 3.77Å; F251-F255 HydrophobicContact CZ-CD2 3.77Å; F251-F255 HydrophobicContact CZ-CE2 4.38Å; F251-F255 AromaticContact CZ-CG 3.92Å; F251-F255 HydrophobicContact CZ-CG 3.92Å; F251-F255 WeakPolarHBondContact O-CB 3.12Å; F251-F255 PolarHBondContact O-N 3.25Å; I252-F255 PolarHBondContact O-N 3.34Å; F255-W258 AromaticContact CD2-CE3 3.83Å; F255-W258 HydrophobicContact CD2-CE3 3.83Å; F255-W258 AromaticContact CD2-CZ3 3.93Å; F255-W258 HydrophobicContact CD2-CZ3 3.93Å; F255-W258 AromaticContact CE2-CE3 3.99Å; F255-W258 HydrophobicContact CE2-CE3 3.99Å; F255-W258 AromaticContact CE2-CZ3 3.76Å; F255-W258 HydrophobicContact CE2-CZ3 3.76Å; F255-W258 PolarHBondContact O-N 3.28Å; F255-Y259 HydrophobicContact CE1-CD1 4.36Å; F255-Y259 HydrophobicContact CE1-CG 4.03Å; F255-Y259 HydrophobicContact CE2-CD2 4.43Å; F255-Y259 HydrophobicContact CZ-CD1 4.4Å; F255-Y259 AromaticContact CZ-CD2 3.91Å; F255-Y259 HydrophobicContact CZ-CD2 3.91Å; F255-Y259 AromaticContact CZ-CG 3.79Å; F255-Y259 HydrophobicContact CZ-CG 3.79Å; F255-Y259 WeakPolarHBondContact O-CB 3.36Å; F255-Y259 PolarHBondContact O-N 3.09Å
256V98.5Very high97.8Very high22 Ų2258.3 Ų58.313%0.13328%0.282CS..Hα-helixtrans-58.8-50.7-175.6168.90000111.6W126 I252 W258 Y259 F260 W261W126-V256 HydrophobicContact CD2-CG1 4.01Å; W126-V256 HydrophobicContact CE3-CG1 4.32Å; W126-V256 HydrophobicContact CH2-CB 4.43Å; W126-V256 HydrophobicContact CH2-CG1 4.12Å; W126-V256 HydrophobicContact CH2-CG2 4.25Å; W126-V256 HydrophobicContact CZ2-CB 3.72Å; W126-V256 HydrophobicContact CZ2-CG1 3.78Å; W126-V256 HydrophobicContact CZ2-CG2 3.74Å; W126-V256 HydrophobicContact CZ3-CG1 4.38Å; I252-V256 HydrophobicContact CG2-CG2 4.18Å; I252-V256 WeakPolarHBondContact O-CG2 3.19Å; I252-V256 PolarHBondContact O-N 3.34Å; I252-V256 VanDerWaalsContact O-N 3.13Å; V256-W258 PolarHBondContact O-N 2.81Å; V256-Y259 PolarHBondContact O-N 3.19Å; V256-F260 HydrophobicContact CB-CD2 4.36Å; V256-F260 HydrophobicContact CG1-CD2 3.92Å; V256-F260 HydrophobicContact CG1-CE2 4.47Å; V256-F260 HydrophobicContact CG2-CE2 4.45Å; V256-F260 WeakPolarHBondContact O-CB 3.46Å; V256-F260 WeakPolarHBondContact O-CD2 3.46Å; V256-F260 PolarHBondContact O-N 3.25Å; V256-W261 HydrophobicContact CG1-CH2 3.57Å; V256-W261 HydrophobicContact CG1-CZ3 3.72Å
257P98.4Very high97.9Very high0 Ų057 Ų570%028%0.275CS..Hα-helixtrans-62.2-41.2177.8-23.633.2000114.5T123 W126 P253 M254 W261 G262 E263 A268 P272T123-P257 HydrophobicContact CG2-CB 4.37Å; T123-P257 HydrophobicContact CG2-CG 4.48Å; W126-P257 HydrophobicContact CG-CG 4.2Å; P253-P257 WeakPolarHBondContact O-CD 3.35Å; P253-P257 WeakPolarHBondContact O-CG 3.49Å; M254-P257 WeakPolarHBondContact O-CD 3.22Å; P257-W261 HydrophobicContact CB-CH2 4.48Å; P257-W261 HydrophobicContact CB-CZ2 3.56Å; P257-W261 HydrophobicContact CG-CH2 4.31Å; P257-W261 HydrophobicContact CG-CZ2 3.64Å; P257-W261 PolarHBondContact O-N 3.4Å; P257-G262 PolarHBondContact O-N 3.13Å; P257-E263 HydrophobicContact CB-CB 3.67Å; P257-E263 HydrophobicContact CB-CG 4.1Å; P257-E263 WeakPolarHBondContact O-CB 3.3Å; P257-E263 PolarHBondContact O-N 2.99Å; P257-A268 HydrophobicContact CB-CB 4.1Å; P257-A268 HydrophobicContact CG-CB 4.44Å; P257-P272 HydrophobicContact CG-CG 4.1Å
258W98.4Very high98Very high114 Ų11453.5 Ų53.543%0.43226%0.257SS..Hα-helixtrans-63.5-44.5-179.917256.2000111.8F255 V256 G262 E263 L265F255-W258 AromaticContact CD2-CE3 3.83Å; F255-W258 HydrophobicContact CD2-CE3 3.83Å; F255-W258 AromaticContact CD2-CZ3 3.93Å; F255-W258 HydrophobicContact CD2-CZ3 3.93Å; F255-W258 AromaticContact CE2-CE3 3.99Å; F255-W258 HydrophobicContact CE2-CE3 3.99Å; F255-W258 AromaticContact CE2-CZ3 3.76Å; F255-W258 HydrophobicContact CE2-CZ3 3.76Å; F255-W258 PolarHBondContact O-N 3.28Å; V256-W258 PolarHBondContact O-N 2.81Å; W258-G262 WeakPolarHBondContact O-CA 3.1Å; W258-G262 PolarHBondContact O-N 2.7Å; W258-E263 WeakPolarHBondContact CA-O 3.43Å; W258-E263 VanDerWaalsContact CD1-O 3.32Å; W258-L265 HydrophobicContact CB-CD2 3.8Å; W258-L265 HydrophobicContact CB-CG 4.37Å; W258-L265 HydrophobicContact CD2-CD1 4.33Å; W258-L265 HydrophobicContact CD2-CD2 3.48Å; W258-L265 VanDerWaalsContact CD2-CD2 3.48Å; W258-L265 HydrophobicContact CD2-CG 3.86Å; W258-L265 HydrophobicContact CE3-CD2 3.97Å; W258-L265 HydrophobicContact CG-CD2 3.38Å; W258-L265 HydrophobicContact CG-CG 3.64Å; W258-L265 HydrophobicContact CZ2-CD1 4.22Å
259Y98.4Very high97.9Very high152 Ų15252.6 Ų52.660%0.59625%0.252SS*.Hα-helixtrans-80.2-44.9-174.2-172.5-100.5000113.3F255 V256F255-Y259 HydrophobicContact CE1-CD1 4.36Å; F255-Y259 HydrophobicContact CE1-CG 4.03Å; F255-Y259 HydrophobicContact CE2-CD2 4.43Å; F255-Y259 HydrophobicContact CZ-CD1 4.4Å; F255-Y259 AromaticContact CZ-CD2 3.91Å; F255-Y259 HydrophobicContact CZ-CD2 3.91Å; F255-Y259 AromaticContact CZ-CG 3.79Å; F255-Y259 HydrophobicContact CZ-CG 3.79Å; F255-Y259 WeakPolarHBondContact O-CB 3.36Å; F255-Y259 PolarHBondContact O-N 3.09Å; V256-Y259 PolarHBondContact O-N 3.19Å
260F98.4Very high98Very high138 Ų13853.7 Ų53.761%0.60526%0.256SS*.Hα-helixtrans-87.6-27.8-168-74.8-80.3000114.7V256V256-F260 HydrophobicContact CB-CD2 4.36Å; V256-F260 HydrophobicContact CG1-CD2 3.92Å; V256-F260 HydrophobicContact CG1-CE2 4.47Å; V256-F260 HydrophobicContact CG2-CE2 4.45Å; V256-F260 WeakPolarHBondContact O-CB 3.46Å; V256-F260 WeakPolarHBondContact O-CD2 3.46Å; V256-F260 PolarHBondContact O-N 3.25Å
261W98.2Very high98.1Very high89 Ų8953.3 Ų53.334%0.33726%0.255SS..Hα-helixtrans-135.918.6179.254.886.1000113.6T123 W126 V256 P257 E263T123-W261 PolarHBondContact OG1-NE1 3.35Å; W126-W261 HydrophobicContact CB-CH2 3.82Å; W126-W261 HydrophobicContact CB-CZ2 3.73Å; W126-W261 HydrophobicContact CD2-CH2 4.22Å; W126-W261 AromaticContact CG-CH2 3.88Å; W126-W261 HydrophobicContact CG-CH2 3.88Å; W126-W261 HydrophobicContact CG-CZ2 4.04Å; V256-W261 HydrophobicContact CG1-CH2 3.57Å; V256-W261 HydrophobicContact CG1-CZ3 3.72Å; P257-W261 HydrophobicContact CB-CH2 4.48Å; P257-W261 HydrophobicContact CB-CZ2 3.56Å; P257-W261 HydrophobicContact CG-CH2 4.31Å; P257-W261 HydrophobicContact CG-CZ2 3.64Å; P257-W261 PolarHBondContact O-N 3.4Å; W261-E263 VanDerWaalsContact C-N 3.31Å; W261-E263 PolarHBondContact O-N 3.12Å
262G97.8Very high98.1Very high63 Ų6348.9 Ų48.965%0.64924%0.236SC*.  trans68.226.216900000114.5P257 W258P257-G262 PolarHBondContact O-N 3.13Å; W258-G262 WeakPolarHBondContact O-CA 3.1Å; W258-G262 PolarHBondContact O-N 2.7Å
263E98.4Very high98.1Very high18 Ų1846.6 Ų46.68%0.08422%0.224CC..  trans-61.5147.4175.6-173.359.4-9100110.7S120 T123 P257 W258 W261 L265 V267 A268S120-E263 WeakPolarHBondContact CB-OE2 3.36Å; S120-E263 PolarHBondContact N-OE2 3.48Å; S120-E263 PolarHBondContact OG-OE2 3.44Å; T123-E263 VanDerWaalsContact CB-OE2 3.28Å; T123-E263 WeakPolarHBondContact CB-OE2 3.44Å; T123-E263 HydrophobicContact CG2-CG 4.13Å; T123-E263 VanDerWaalsContact OG1-CG 3.28Å; T123-E263 WeakPolarHBondContact OG1-CG 3.22Å; T123-E263 PolarHBondContact OG1-OE2 3.14Å; P257-E263 HydrophobicContact CB-CB 3.67Å; P257-E263 HydrophobicContact CB-CG 4.1Å; P257-E263 WeakPolarHBondContact O-CB 3.3Å; P257-E263 PolarHBondContact O-N 2.99Å; W258-E263 WeakPolarHBondContact CA-O 3.43Å; W258-E263 VanDerWaalsContact CD1-O 3.32Å; W261-E263 VanDerWaalsContact C-N 3.31Å; W261-E263 PolarHBondContact O-N 3.12Å; E263-L265 PolarHBondContact O-N 2.83Å; E263-V267 HydrophobicContact CG-CB 4.12Å; E263-V267 HydrophobicContact CG-CG1 4.06Å; E263-A268 HydrophobicContact CG-CB 4.19Å
264S98Very high98Very high62 Ų6246.9 Ų46.943%0.43423%0.225SC..  trans-59132172.8172.30000110.6W266 V267 A268S264-W266 PolarHBondContact O-N 2.97Å; S264-W266 WeakPolarHBondContact OG-CB 3.47Å; S264-W266 PolarHBondContact OG-N 3.27Å; S264-V267 PolarHBondContact O-N 2.76Å; S264-A268 WeakPolarHBondContact O-CB 3.42Å; S264-A268 PolarHBondContact O-N 3.18Å
265L96.8Very high98.1Very high73 Ų7346 Ų4638%0.38222%0.221SC..Hα-helixtrans-52.5-30.5172.3-83.5173000112.3W258 E263 Y269W258-L265 HydrophobicContact CB-CD2 3.8Å; W258-L265 HydrophobicContact CB-CG 4.37Å; W258-L265 HydrophobicContact CD2-CD1 4.33Å; W258-L265 HydrophobicContact CD2-CD2 3.48Å; W258-L265 VanDerWaalsContact CD2-CD2 3.48Å; W258-L265 HydrophobicContact CD2-CG 3.86Å; W258-L265 HydrophobicContact CE3-CD2 3.97Å; W258-L265 HydrophobicContact CG-CD2 3.38Å; W258-L265 HydrophobicContact CG-CG 3.64Å; W258-L265 HydrophobicContact CZ2-CD1 4.22Å; E263-L265 PolarHBondContact O-N 2.83Å; L265-Y269 WeakPolarHBondContact O-CB 3.11Å; L265-Y269 PolarHBondContact O-N 2.94Å
266W97.8Very high98.1Very high113 Ų11343.2 Ų43.243%0.42821%0.209SC..Hα-helixtrans-69.1-49.6178.2-162.2-109.1000111.5A3 Y111 S264 Y269 F270A3-W266 HydrophobicContact CB-CH2 4.4Å; A3-W266 HydrophobicContact CB-CZ3 3.94Å; Y111-W266 AromaticContact CE1-CE2 3.95Å; Y111-W266 HydrophobicContact CE1-CZ2 4.07Å; Y111-W266 AromaticContact CE1-NE1 3.38Å; Y111-W266 AromaticContact CZ-NE1 3.65Å; Y111-W266 PolarHBondContact OH-NE1 2.94Å; S264-W266 PolarHBondContact O-N 2.97Å; S264-W266 WeakPolarHBondContact OG-CB 3.47Å; S264-W266 PolarHBondContact OG-N 3.27Å; W266-Y269 PolarHBondContact O-N 2.75Å; W266-F270 HydrophobicContact CD2-CD2 4.08Å; W266-F270 AromaticContact CD2-CE2 3.77Å; W266-F270 HydrophobicContact CD2-CE2 3.77Å; W266-F270 AromaticContact CE2-CD2 3.93Å; W266-F270 AromaticContact CE2-CE2 3.44Å; W266-F270 VanDerWaalsContact CE2-CE2 3.44Å; W266-F270 HydrophobicContact CE3-CE2 4.05Å; W266-F270 HydrophobicContact CG-CD2 4.3Å; W266-F270 HydrophobicContact CG-CE2 4.46Å; W266-F270 AromaticContact CH2-CE2 3.75Å; W266-F270 HydrophobicContact CH2-CE2 3.75Å; W266-F270 HydrophobicContact CH2-CZ 4.25Å; W266-F270 HydrophobicContact CZ2-CD2 4.36Å; W266-F270 AromaticContact CZ2-CE2 3.44Å; W266-F270 HydrophobicContact CZ2-CE2 3.44Å; W266-F270 VanDerWaalsContact CZ2-CE2 3.44Å; W266-F270 HydrophobicContact CZ2-CZ 4.05Å; W266-F270 HydrophobicContact CZ3-CE2 4.04Å; W266-F270 AromaticContact NE1-CE2 3.96Å; W266-F270 WeakPolarHBondContact O-CD2 3.27Å; W266-F270 PolarHBondContact O-N 3.48Å
267V98.1Very high98.1Very high8 Ų842.1 Ų42.15%0.04820%0.202CC..Hα-helixtrans-64.2-46.5176.5174.40000110.5A119 T123 E263 S264 Y269 F270 V271 P272A119-V267 HydrophobicContact CB-CG1 3.64Å; T123-V267 HydrophobicContact CG2-CG1 4.43Å; E263-V267 HydrophobicContact CG-CB 4.12Å; E263-V267 HydrophobicContact CG-CG1 4.06Å; S264-V267 PolarHBondContact O-N 2.76Å; V267-Y269 PolarHBondContact O-N 3.31Å; V267-F270 PolarHBondContact O-N 2.82Å; V267-V271 HydrophobicContact CG1-CB 4.48Å; V267-V271 HydrophobicContact CG1-CG2 4.11Å; V267-V271 WeakPolarHBondContact O-CB 3.44Å; V267-V271 PolarHBondContact O-N 2.83Å; V267-P272 WeakPolarHBondContact O-CD 3.39Å
268A97.7Very high98.1Very high0 Ų042.5 Ų42.50%021%0.205CC..Hα-helixtrans-62.1-30.2178.900000112.6M254 P257 E263 S264 P272M254-A268 WeakPolarHBondContact CA-O 3.44Å; M254-A268 HydrophobicContact CG-CB 4.25Å; M254-A268 VanDerWaalsContact O-CB 3.31Å; M254-A268 WeakPolarHBondContact O-CB 3.32Å; P257-A268 HydrophobicContact CB-CB 4.1Å; P257-A268 HydrophobicContact CG-CB 4.44Å; E263-A268 HydrophobicContact CG-CB 4.19Å; S264-A268 WeakPolarHBondContact O-CB 3.42Å; S264-A268 PolarHBondContact O-N 3.18Å; A268-P272 WeakPolarHBondContact O-CD 3.15Å; A268-P272 WeakPolarHBondContact O-CG 3.23Å
269Y97.6Very high98.1Very high13 Ų1341.3 Ų41.35%0.05121%0.206CC..Iπ-helixtrans-76-48175.5179.6-108.2000112.6T7 M254 L265 W266 V267 A273 L274T7-Y269 WeakPolarHBondContact CB-OH 3.42Å; T7-Y269 WeakPolarHBondContact CG2-OH 3.18Å; T7-Y269 PolarHBondContact OG1-OH 2.99Å; M254-Y269 HydrophobicContact SD-CD2 3.78Å; M254-Y269 HydrophobicContact SD-CG 4.4Å; L265-Y269 WeakPolarHBondContact O-CB 3.11Å; L265-Y269 PolarHBondContact O-N 2.94Å; W266-Y269 PolarHBondContact O-N 2.75Å; V267-Y269 PolarHBondContact O-N 3.31Å; Y269-A273 WeakPolarHBondContact O-CB 3.2Å; Y269-L274 HydrophobicContact CD1-CD1 4.4Å; Y269-L274 HydrophobicContact CE1-CD1 3.62Å; Y269-L274 HydrophobicContact CE1-CG 4.09Å; Y269-L274 HydrophobicContact CE2-CG 4.49Å; Y269-L274 PolarHBondContact O-N 3.4Å; Y269-L274 VanDerWaalsContact O-N 3.1Å
270F98.4Very high98.1Very high22 Ų2234.2 Ų34.210%0.09618%0.179CC..Iπ-helixtrans-79.4-31.7-174.8-79.9-76000114G108 Y111 L115 W266 V267 L274 L275G108-F270 WeakPolarHBondContact O-CD1 3.41Å; Y111-F270 AromaticContact CD1-CD1 3.73Å; Y111-F270 HydrophobicContact CD1-CD1 3.73Å; Y111-F270 HydrophobicContact CD1-CD2 4.05Å; Y111-F270 AromaticContact CD1-CE1 3.71Å; Y111-F270 HydrophobicContact CD1-CE1 3.71Å; Y111-F270 HydrophobicContact CD1-CE2 4.06Å; Y111-F270 AromaticContact CD1-CG 3.91Å; Y111-F270 HydrophobicContact CD1-CG 3.91Å; Y111-F270 AromaticContact CD1-CZ 3.88Å; Y111-F270 HydrophobicContact CD1-CZ 3.88Å; Y111-F270 HydrophobicContact CE1-CD1 4.45Å; Y111-F270 AromaticContact CE1-CD2 3.96Å; Y111-F270 HydrophobicContact CE1-CD2 3.96Å; Y111-F270 HydrophobicContact CE1-CE1 4.38Å; Y111-F270 AromaticContact CE1-CE2 3.91Å; Y111-F270 HydrophobicContact CE1-CE2 3.91Å; Y111-F270 HydrophobicContact CE1-CG 4.25Å; Y111-F270 HydrophobicContact CE1-CZ 4.11Å; L115-F270 HydrophobicContact CD1-CB 3.74Å; L115-F270 HydrophobicContact CD1-CD2 4.05Å; L115-F270 HydrophobicContact CD1-CG 4.1Å; W266-F270 HydrophobicContact CD2-CD2 4.08Å; W266-F270 AromaticContact CD2-CE2 3.77Å; W266-F270 HydrophobicContact CD2-CE2 3.77Å; W266-F270 AromaticContact CE2-CD2 3.93Å; W266-F270 AromaticContact CE2-CE2 3.44Å; W266-F270 VanDerWaalsContact CE2-CE2 3.44Å; W266-F270 HydrophobicContact CE3-CE2 4.05Å; W266-F270 HydrophobicContact CG-CD2 4.3Å; W266-F270 HydrophobicContact CG-CE2 4.46Å; W266-F270 AromaticContact CH2-CE2 3.75Å; W266-F270 HydrophobicContact CH2-CE2 3.75Å; W266-F270 HydrophobicContact CH2-CZ 4.25Å; W266-F270 HydrophobicContact CZ2-CD2 4.36Å; W266-F270 AromaticContact CZ2-CE2 3.44Å; W266-F270 HydrophobicContact CZ2-CE2 3.44Å; W266-F270 VanDerWaalsContact CZ2-CE2 3.44Å; W266-F270 HydrophobicContact CZ2-CZ 4.05Å; W266-F270 HydrophobicContact CZ3-CE2 4.04Å; W266-F270 AromaticContact NE1-CE2 3.96Å; W266-F270 WeakPolarHBondContact O-CD2 3.27Å; W266-F270 PolarHBondContact O-N 3.48Å; V267-F270 PolarHBondContact O-N 2.82Å; F270-L274 HydrophobicContact CD1-CD1 3.84Å; F270-L274 HydrophobicContact CE1-CD1 3.88Å; F270-L275 VanDerWaalsContact O-CB 3.25Å; F270-L275 WeakPolarHBondContact O-CB 3.35Å; F270-L275 PolarHBondContact O-N 3.18Å
271V98.6Very high98.1Very high2 Ų227.9 Ų27.91%0.01215%0.151CC..Iπ-helixtrans-89.5-71.9-173.3179.10000111.9L115 L124 V267 A273 L275 R276L115-V271 HydrophobicContact CB-CG2 4.05Å; L124-V271 HydrophobicContact CD2-CG1 4.27Å; V267-V271 HydrophobicContact CG1-CB 4.48Å; V267-V271 HydrophobicContact CG1-CG2 4.11Å; V267-V271 WeakPolarHBondContact O-CB 3.44Å; V267-V271 PolarHBondContact O-N 2.83Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 2.99Å; V271-L275 WeakPolarHBondContact O-CB 3.21Å; V271-R276 PolarHBondContact O-N 2.91Å
272P98Very high98.2Very high0 Ų025.7 Ų25.70%015%0.146CC..Iπ-helixtrans-75.6-16.3-178.429.6-34000113.8T123 P253 P257 V267 A268 R276T123-P272 HydrophobicContact CG2-CG 4.12Å; P253-P272 HydrophobicContact CB-CB 4.33Å; P253-P272 VanDerWaalsContact CB-O 3.23Å; P253-P272 WeakPolarHBondContact CB-O 3.11Å; P253-P272 VanDerWaalsContact O-CG 3.3Å; P253-P272 WeakPolarHBondContact O-CG 3.24Å; P257-P272 HydrophobicContact CG-CG 4.1Å; V267-P272 WeakPolarHBondContact O-CD 3.39Å; A268-P272 WeakPolarHBondContact O-CD 3.15Å; A268-P272 WeakPolarHBondContact O-CG 3.23Å; P272-R276 WeakPolarHBondContact O-CB 3.42Å; P272-R276 PolarHBondContact O-NE 3.26Å; P272-R276 PolarHBondContact O-NH2 3.03Å
273A96.9Very high98.2Very high0 Ų023.2 Ų23.20%012%0.119CC..Iπ-helixtrans-89.7-78.9170.800000112M254 Y269 V271 R276 Y277M254-A273 HydrophobicContact CB-CB 4.47Å; Y269-A273 WeakPolarHBondContact O-CB 3.2Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 2.99Å; A273-R276 PolarHBondContact O-NH2 3.36Å; A273-Y277 VanDerWaalsContact O-CB 3.22Å; A273-Y277 WeakPolarHBondContact O-CB 3.42Å; A273-Y277 PolarHBondContact O-N 3.24Å
274L97.9Very high98.2Very high6 Ų623.4 Ų23.43%0.03112%0.122CC..Iπ-helixtrans-72-50-168.8-62.9-170.7000114.7F11 L105 F250 Y269 F270 Y277 T278F11-L274 HydrophobicContact CE2-CD2 4.49Å; L105-L274 HydrophobicContact CD1-CB 4.44Å; L105-L274 HydrophobicContact CD1-CD2 4.05Å; F250-L274 HydrophobicContact CD1-CD2 4.31Å; F250-L274 HydrophobicContact CE1-CD2 3.95Å; Y269-L274 HydrophobicContact CD1-CD1 4.4Å; Y269-L274 HydrophobicContact CE1-CD1 3.62Å; Y269-L274 HydrophobicContact CE1-CG 4.09Å; Y269-L274 HydrophobicContact CE2-CG 4.49Å; Y269-L274 PolarHBondContact O-N 3.4Å; Y269-L274 VanDerWaalsContact O-N 3.1Å; F270-L274 HydrophobicContact CD1-CD1 3.84Å; F270-L274 HydrophobicContact CE1-CD1 3.88Å; L274-Y277 PolarHBondContact O-N 2.69Å; L274-T278 WeakPolarHBondContact O-CB 3.31Å; L274-T278 PolarHBondContact O-N 3.44Å; L274-T278 PolarHBondContact O-OG1 3.07Å
275L98.8Very high98.2Very high10 Ų1020.9 Ų20.95%0.05210%0.103CC..Iπ-helixtrans-62.8-50.4-179.3170.762.1000110.5A109 L113 I116 F270 V271 Y277 T278 L279A109-L275 HydrophobicContact CB-CB 4.48Å; A109-L275 HydrophobicContact CB-CD1 4.15Å; L113-L275 HydrophobicContact CD2-CD1 3.7Å; L113-L275 HydrophobicContact CD2-CD2 3.87Å; L113-L275 HydrophobicContact CD2-CG 4.46Å; L113-L275 HydrophobicContact CG-CD1 4.03Å; L113-L275 HydrophobicContact CG-CD2 4.45Å; I116-L275 HydrophobicContact CD1-CD2 3.94Å; I116-L275 HydrophobicContact CG1-CD2 4.19Å; F270-L275 VanDerWaalsContact O-CB 3.25Å; F270-L275 WeakPolarHBondContact O-CB 3.35Å; F270-L275 PolarHBondContact O-N 3.18Å; V271-L275 WeakPolarHBondContact O-CB 3.21Å; L275-Y277 VanDerWaalsContact C-N 3.33Å; L275-Y277 PolarHBondContact O-N 3.33Å; L275-T278 PolarHBondContact O-N 3.03Å; L275-T278 VanDerWaalsContact O-N 3.15Å; L275-L279 HydrophobicContact CD1-CD1 4.02Å; L275-L279 HydrophobicContact CD1-CD2 4.41Å; L275-L279 HydrophobicContact CD1-CG 3.96Å; L275-L279 HydrophobicContact CG-CD1 4.03Å; L275-L279 HydrophobicContact CG-CG 4.4Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 3.05Å
276R98.6Very high98.3Very high2 Ų218.9 Ų18.91%0.0089%0.092CC..Hα-helixtrans-57.3-43.9176.9177.5-78.8-45.414612112.2S127 C130 F131 M167 C249 V271 P272 A273 T278 L279 V280S127-R276 WeakPolarHBondContact O-CG 3.37Å; C130-R276 HydrophobicContact CB-CG 4.34Å; F131-R276 HydrophobicContact CB-CG 4.08Å; M167-R276 PolarHBondContact O-NH1 3.13Å; C249-R276 PolarHBondContact O-NH2 3.4Å; V271-R276 PolarHBondContact O-N 2.91Å; P272-R276 WeakPolarHBondContact O-CB 3.42Å; P272-R276 PolarHBondContact O-NE 3.26Å; P272-R276 PolarHBondContact O-NH2 3.03Å; A273-R276 PolarHBondContact O-NH2 3.36Å; R276-T278 VanDerWaalsContact C-N 3.35Å; R276-T278 PolarHBondContact O-N 3.17Å; R276-L279 PolarHBondContact O-N 3.35Å; R276-V280 WeakPolarHBondContact O-CG2 3.36Å; R276-V280 PolarHBondContact O-N 3.18Å
277Y98.7Very high98.3Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-59.9-46.7175.9175.9-141.8000111.6F11 L105 A168 F169 F250 A273 L274 L275 L279 V280 L281F11-Y277 HydrophobicContact CE1-CE1 4.24Å; F11-Y277 HydrophobicContact CZ-CE1 4.48Å; L105-Y277 HydrophobicContact CD1-CD1 3.7Å; L105-Y277 HydrophobicContact CD1-CE1 4.22Å; L105-Y277 HydrophobicContact CD2-CD1 3.75Å; L105-Y277 HydrophobicContact CD2-CE1 3.53Å; L105-Y277 HydrophobicContact CG-CD1 4.39Å; A168-Y277 VanDerWaalsContact O-CE2 3.27Å; A168-Y277 WeakPolarHBondContact O-CE2 3.32Å; F169-Y277 HydrophobicContact CB-CD2 4.39Å; F169-Y277 HydrophobicContact CB-CE2 3.63Å; F169-Y277 AromaticContact CD1-CE1 3.73Å; F169-Y277 HydrophobicContact CD1-CE1 3.73Å; F169-Y277 HydrophobicContact CD1-CE2 4Å; F169-Y277 AromaticContact CD1-CZ 3.37Å; F169-Y277 WeakPolarHBondContact CD1-OH 3.36Å; F169-Y277 HydrophobicContact CE1-CE1 4.3Å; F169-Y277 HydrophobicContact CG-CE2 4.09Å; F169-Y277 AromaticContact CG-CZ 3.79Å; F169-Y277 WeakPolarHBondContact CG-OH 3.31Å; F169-Y277 PolarHBondContact O-OH 2.89Å; F250-Y277 HydrophobicContact CE1-CD1 4.16Å; F250-Y277 HydrophobicContact CZ-CD1 4.09Å; F250-Y277 HydrophobicContact CZ-CE1 4.15Å; A273-Y277 VanDerWaalsContact O-CB 3.22Å; A273-Y277 WeakPolarHBondContact O-CB 3.42Å; A273-Y277 PolarHBondContact O-N 3.24Å; L274-Y277 PolarHBondContact O-N 2.69Å; L275-Y277 VanDerWaalsContact C-N 3.33Å; L275-Y277 PolarHBondContact O-N 3.33Å; Y277-L279 VanDerWaalsContact C-N 3.32Å; Y277-L279 PolarHBondContact O-N 3.36Å; Y277-V280 PolarHBondContact O-N 3.16Å; Y277-L281 HydrophobicContact CD1-CD1 4.45Å; Y277-L281 HydrophobicContact CD2-CD1 4.21Å; Y277-L281 HydrophobicContact CD2-CD2 4.43Å; Y277-L281 HydrophobicContact CD2-CG 3.93Å; Y277-L281 HydrophobicContact CE1-CD1 3.95Å; Y277-L281 HydrophobicContact CE2-CD1 3.66Å; Y277-L281 HydrophobicContact CE2-CD2 3.62Å; Y277-L281 HydrophobicContact CE2-CG 3.49Å; Y277-L281 VanDerWaalsContact CE2-CG 3.49Å; Y277-L281 WeakPolarHBondContact O-CG 3.36Å; Y277-L281 PolarHBondContact O-N 3.21Å
278T98.7Very high98.3Very high8 Ų814.8 Ų14.85%0.0498%0.079CC..Hα-helixtrans-62.8-38.9179.5-54.90000112.1L105 A109 L274 L275 R276 L281 N282L105-T278 VanDerWaalsContact CD1-OG1 3.31Å; L105-T278 WeakPolarHBondContact CD1-OG1 3.41Å; L105-T278 WeakPolarHBondContact CG-OG1 3.22Å; A109-T278 HydrophobicContact CB-CG2 3.71Å; A109-T278 WeakPolarHBondContact CB-OG1 3.22Å; L274-T278 WeakPolarHBondContact O-CB 3.31Å; L274-T278 PolarHBondContact O-N 3.44Å; L274-T278 PolarHBondContact O-OG1 3.07Å; L275-T278 PolarHBondContact O-N 3.03Å; L275-T278 VanDerWaalsContact O-N 3.15Å; R276-T278 VanDerWaalsContact C-N 3.35Å; R276-T278 PolarHBondContact O-N 3.17Å; T278-L281 PolarHBondContact O-N 3.29Å; T278-N282 WeakPolarHBondContact CG2-ND2 3.44Å; T278-N282 PolarHBondContact O-N 3.43Å; T278-N282 PolarHBondContact O-ND2 3Å
279L98.7Very high98.3Very high89 Ų8914.8 Ų14.847%0.4668%0.079SC..Hα-helixtrans-64.4-43.1174.9-69.7174.5000111.8F131 L275 R276 Y277 N282 A283F131-L279 HydrophobicContact CD2-CB 4.35Å; F131-L279 HydrophobicContact CE2-CB 4.17Å; L275-L279 HydrophobicContact CD1-CD1 4.02Å; L275-L279 HydrophobicContact CD1-CD2 4.41Å; L275-L279 HydrophobicContact CD1-CG 3.96Å; L275-L279 HydrophobicContact CG-CD1 4.03Å; L275-L279 HydrophobicContact CG-CG 4.4Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 3.05Å; R276-L279 PolarHBondContact O-N 3.35Å; Y277-L279 VanDerWaalsContact C-N 3.32Å; Y277-L279 PolarHBondContact O-N 3.36Å; L279-N282 PolarHBondContact O-N 3.5Å; L279-A283 VanDerWaalsContact O-CB 3.23Å; L279-A283 WeakPolarHBondContact O-CB 3.42Å; L279-A283 PolarHBondContact O-N 2.71Å
280V98.7Very high98.3Very high3 Ų314.4 Ų14.42%0.0188%0.079CC..Hα-helixtrans-59.7-47.3174.9171.50000110.6F131 A168 R276 Y277 A283 T284F131-V280 HydrophobicContact CD2-CG2 3.41Å; F131-V280 VanDerWaalsContact CD2-CG2 3.41Å; F131-V280 HydrophobicContact CE2-CB 4.46Å; F131-V280 HydrophobicContact CE2-CG2 3.76Å; F131-V280 HydrophobicContact CG-CG2 4.12Å; A168-V280 HydrophobicContact CB-CG1 4.27Å; R276-V280 WeakPolarHBondContact O-CG2 3.36Å; R276-V280 PolarHBondContact O-N 3.18Å; Y277-V280 PolarHBondContact O-N 3.16Å; V280-A283 PolarHBondContact O-N 2.84Å; V280-T284 PolarHBondContact O-N 3.28Å; V280-T284 PolarHBondContact O-OG1 3.25Å
281L98.5Very high98.3Very high4 Ų413.4 Ų13.42%0.0217%0.074CC..Hα-helixtrans-58.6-52.9178.4-72.6-179.6000112.1L105 Q170 Y277 T278 A283 T284 W285L105-L281 HydrophobicContact CD2-CD1 3.7Å; Q170-L281 HydrophobicContact CG-CD2 3.9Å; Y277-L281 HydrophobicContact CD1-CD1 4.45Å; Y277-L281 HydrophobicContact CD2-CD1 4.21Å; Y277-L281 HydrophobicContact CD2-CD2 4.43Å; Y277-L281 HydrophobicContact CD2-CG 3.93Å; Y277-L281 HydrophobicContact CE1-CD1 3.95Å; Y277-L281 HydrophobicContact CE2-CD1 3.66Å; Y277-L281 HydrophobicContact CE2-CD2 3.62Å; Y277-L281 HydrophobicContact CE2-CG 3.49Å; Y277-L281 VanDerWaalsContact CE2-CG 3.49Å; Y277-L281 WeakPolarHBondContact O-CG 3.36Å; Y277-L281 PolarHBondContact O-N 3.21Å; T278-L281 PolarHBondContact O-N 3.29Å; L281-A283 VanDerWaalsContact C-N 3.32Å; L281-A283 PolarHBondContact O-N 2.87Å; L281-T284 PolarHBondContact O-N 3.37Å; L281-W285 HydrophobicContact CB-CD2 4.25Å; L281-W285 HydrophobicContact CB-CE3 4.31Å; L281-W285 HydrophobicContact CB-CH2 3.76Å; L281-W285 HydrophobicContact CB-CZ2 3.7Å; L281-W285 HydrophobicContact CB-CZ3 4.06Å; L281-W285 HydrophobicContact CD1-CH2 3.69Å; L281-W285 HydrophobicContact CD1-CZ2 3.78Å; L281-W285 HydrophobicContact CD2-CZ2 3.83Å; L281-W285 HydrophobicContact CG-CH2 4.22Å; L281-W285 HydrophobicContact CG-CZ2 3.98Å; L281-W285 WeakPolarHBondContact O-CB 3.17Å; L281-W285 VanDerWaalsContact O-CD2 3.31Å; L281-W285 PolarHBondContact O-N 2.99Å
282N98.7Very high98.2Very high43 Ų4313.6 Ų13.623%0.238%0.075CC..Hα-helixtrans-66.2-36-177.1-77.7-91.3000111.7H106 H204 T278 L279 W285 L286H106-N282 PolarHBondContact NE2-ND2 3.48Å; H106-N282 VanDerWaalsContact NE2-ND2 3.15Å; H204-N282 PolarHBondContact NE2-OD1 3.4Å; T278-N282 WeakPolarHBondContact CG2-ND2 3.44Å; T278-N282 PolarHBondContact O-N 3.43Å; T278-N282 PolarHBondContact O-ND2 3Å; L279-N282 PolarHBondContact O-N 3.5Å; N282-W285 PolarHBondContact O-N 3.28Å; N282-L286 VanDerWaalsContact O-CG 3.26Å; N282-L286 WeakPolarHBondContact O-CG 3.33Å; N282-L286 PolarHBondContact O-N 3.16Å
283A98.3Very high98.2Very high11 Ų1116.7 Ų16.79%0.0919%0.09CC..Hα-helixtrans-60.4-44.6172.700000111.9F131 L279 V280 L281 S314F131-A283 HydrophobicContact CZ-CB 4.37Å; L279-A283 VanDerWaalsContact O-CB 3.23Å; L279-A283 WeakPolarHBondContact O-CB 3.42Å; L279-A283 PolarHBondContact O-N 2.71Å; V280-A283 PolarHBondContact O-N 2.84Å; L281-A283 VanDerWaalsContact C-N 3.32Å; L281-A283 PolarHBondContact O-N 2.87Å; A283-S314 WeakPolarHBondContact CB-O 3.01Å
284T98.2Very high98.2Very high23 Ų2323.3 Ų23.314%0.14112%0.116CC..Hα-helixtrans-65.8-44.6174.5-58.30000111.9Q170 V280 L281 L286 V287Q170-T284 PolarHBondContact NE2-OG1 3.46Å; V280-T284 PolarHBondContact O-N 3.28Å; V280-T284 PolarHBondContact O-OG1 3.25Å; L281-T284 PolarHBondContact O-N 3.37Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.89Å; T284-V287 VanDerWaalsContact O-CB 3.22Å; T284-V287 WeakPolarHBondContact O-CB 3.42Å; T284-V287 WeakPolarHBondContact O-CG2 3.36Å; T284-V287 PolarHBondContact O-N 3.31Å
285W98.5Very high98.2Very high8 Ų825 Ų253%0.0313%0.134CC..Hα-helixtrans-68.6-22.5-177.9-62.3-18.2000114M102 H106 H204 I205 L208 L281 N282 V287 N288 S289M102-W285 HydrophobicContact CE-CH2 3.82Å; M102-W285 HydrophobicContact CE-CZ2 4.08Å; M102-W285 HydrophobicContact SD-CH2 3.63Å; M102-W285 HydrophobicContact SD-CZ2 4.41Å; H106-W285 AromaticContact CE1-CZ3 3.9Å; H106-W285 AromaticContact NE2-CZ3 3.9Å; H204-W285 VanDerWaalsContact ND1-C 3.34Å; H204-W285 WeakPolarHBondContact ND1-CB 3.5Å; H204-W285 PolarHBondContact ND1-O 3.41Å; H204-W285 VanDerWaalsContact O-CB 3.24Å; H204-W285 WeakPolarHBondContact O-CB 3.48Å; I205-W285 HydrophobicContact CB-CE3 4.19Å; I205-W285 HydrophobicContact CB-CZ3 4.16Å; I205-W285 HydrophobicContact CD1-CE3 4.18Å; I205-W285 HydrophobicContact CD1-CH2 3.71Å; I205-W285 HydrophobicContact CD1-CZ3 3.35Å; I205-W285 HydrophobicContact CG1-CE3 4.13Å; I205-W285 HydrophobicContact CG1-CH2 3.8Å; I205-W285 HydrophobicContact CG1-CZ2 4.45Å; I205-W285 HydrophobicContact CG1-CZ3 3.62Å; L208-W285 HydrophobicContact CD1-CH2 4.3Å; L208-W285 HydrophobicContact CD1-CZ2 3.41Å; L208-W285 VanDerWaalsContact CD1-CZ2 3.41Å; L281-W285 HydrophobicContact CB-CD2 4.25Å; L281-W285 HydrophobicContact CB-CE3 4.31Å; L281-W285 HydrophobicContact CB-CH2 3.76Å; L281-W285 HydrophobicContact CB-CZ2 3.7Å; L281-W285 HydrophobicContact CB-CZ3 4.06Å; L281-W285 HydrophobicContact CD1-CH2 3.69Å; L281-W285 HydrophobicContact CD1-CZ2 3.78Å; L281-W285 HydrophobicContact CD2-CZ2 3.83Å; L281-W285 HydrophobicContact CG-CH2 4.22Å; L281-W285 HydrophobicContact CG-CZ2 3.98Å; L281-W285 WeakPolarHBondContact O-CB 3.17Å; L281-W285 VanDerWaalsContact O-CD2 3.31Å; L281-W285 PolarHBondContact O-N 2.99Å; N282-W285 PolarHBondContact O-N 3.28Å; W285-V287 PolarHBondContact O-N 3.44Å; W285-N288 PolarHBondContact O-N 3.03Å; W285-S289 PolarHBondContact O-N 3.37Å; W285-S289 PolarHBondContact O-OG 2.88Å
286L98.7Very high98Very high32 Ų3227.3 Ų27.317%0.16815%0.146CC..Hα-helixtrans-63.9-26.9169.8-79.4169.5000112.3N282 T284 A290 A291 F310 V311N282-L286 VanDerWaalsContact O-CG 3.26Å; N282-L286 WeakPolarHBondContact O-CG 3.33Å; N282-L286 PolarHBondContact O-N 3.16Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.89Å; L286-A290 HydrophobicContact CD2-CB 3.86Å; L286-A290 WeakPolarHBondContact O-CA 3.4Å; L286-A290 WeakPolarHBondContact O-CB 3.37Å; L286-A290 PolarHBondContact O-N 3.37Å; L286-A291 PolarHBondContact O-N 2.86Å; L286-F310 HydrophobicContact CD1-CD1 4.31Å; L286-F310 HydrophobicContact CD1-CE1 3.65Å; L286-V311 HydrophobicContact CB-CG2 4.2Å
287V98.2Very high98Very high15 Ų1529.3 Ų29.39%0.09115%0.154CC..Hα-helixtrans-64-52.2173.1-175.30000109.1T284 W285 S289 A291 H292 V311 A315 E318 H321T284-V287 VanDerWaalsContact O-CB 3.22Å; T284-V287 WeakPolarHBondContact O-CB 3.42Å; T284-V287 WeakPolarHBondContact O-CG2 3.36Å; T284-V287 PolarHBondContact O-N 3.31Å; W285-V287 PolarHBondContact O-N 3.44Å; V287-S289 VanDerWaalsContact C-N 3.29Å; V287-S289 PolarHBondContact O-N 2.68Å; V287-A291 WeakPolarHBondContact O-CB 3.22Å; V287-A291 PolarHBondContact O-N 3.25Å; V287-H292 PolarHBondContact O-CD2 2.86Å; V287-V311 HydrophobicContact CB-CG1 4.37Å; V287-V311 HydrophobicContact CG2-CG1 3.68Å; V287-A315 HydrophobicContact CG2-CB 3.78Å; V287-E318 HydrophobicContact CG2-CB 4.05Å; V287-H321 WeakPolarHBondContact CG1-CE1 3.06Å
288N97.6Very high97.9Very high19 Ų1929.5 Ų29.510%0.10216%0.155CC..Hα-helixtrans-64.6-31.2-179.8-57.93.5000113.4H194 S203 W285 H292H194-N288 HydrophobicContact CB-CB 4.41Å; H194-N288 VanDerWaalsContact CD2-CG 3.47Å; S203-N288 WeakPolarHBondContact O-CB 3.13Å; W285-N288 PolarHBondContact O-N 3.03Å; N288-H292 PolarHBondContact O-CD2 3.13Å
289S98.1Very high97.9Very high0 Ų029.1 Ų29.10%015%0.153CC..THydrogen-bonded Turntrans-101.4-72.4-175.968.90000113F200 S203 H204 W285 V287 A291 H292 M293F200-S289 WeakPolarHBondContact CE2-OG 3.19Å; S203-S289 WeakPolarHBondContact OG-CA 3.49Å; S203-S289 WeakPolarHBondContact OG-CB 3.36Å; H204-S289 PolarHBondContact ND1-OG 2.86Å; W285-S289 PolarHBondContact O-N 3.37Å; W285-S289 PolarHBondContact O-OG 2.88Å; V287-S289 VanDerWaalsContact C-N 3.29Å; V287-S289 PolarHBondContact O-N 2.68Å; S289-A291 VanDerWaalsContact C-N 3.33Å; S289-A291 PolarHBondContact O-N 2.92Å; S289-H292 PolarHBondContact O-N 2.83Å; S289-H292 VanDerWaalsContact O-N 3.13Å; S289-M293 WeakPolarHBondContact O-CG 3.49Å; S289-M293 PolarHBondContact O-N 3.3Å
290A98.1Very high97.8Very high6 Ų625.2 Ų25.25%0.0513%0.133CC..Hα-helixtrans-63-39.1-174.900000112F200 L286 H292 M293 W294 V311F200-A290 HydrophobicContact CE2-CB 4.47Å; L286-A290 HydrophobicContact CD2-CB 3.86Å; L286-A290 WeakPolarHBondContact O-CA 3.4Å; L286-A290 WeakPolarHBondContact O-CB 3.37Å; L286-A290 PolarHBondContact O-N 3.37Å; A290-H292 PolarHBondContact O-N 3.4Å; A290-M293 PolarHBondContact O-N 3.3Å; A290-M293 VanDerWaalsContact O-N 3.16Å; A290-W294 HydrophobicContact CB-CE3 3.86Å; A290-W294 HydrophobicContact CB-CZ3 4.18Å; A290-W294 PolarHBondContact O-N 3.08Å; A290-V311 HydrophobicContact CB-CG2 3.93Å
291A97.6Very high97.7Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-75.9-4.417900000114.1L286 V287 S289 P305 R306 V311 H321L286-A291 PolarHBondContact O-N 2.86Å; V287-A291 WeakPolarHBondContact O-CB 3.22Å; V287-A291 PolarHBondContact O-N 3.25Å; S289-A291 VanDerWaalsContact C-N 3.33Å; S289-A291 PolarHBondContact O-N 2.92Å; A291-P305 CarbonylContact O-C 3.43Å; A291-P305 WeakPolarHBondContact O-CA 3.37Å; A291-R306 WeakPolarHBondContact O-CA 3.24Å; A291-R306 PolarHBondContact O-N 3.28Å; A291-V311 HydrophobicContact CB-CG1 4.29Å; A291-V311 HydrophobicContact CB-CG2 4.38Å; A291-H321 HydrophobicContact CB-CB 3.67Å
292H98Very high97.6Very high6 Ų634.6 Ų34.63%0.02818%0.18CC..Hα-helixtrans-100.3-5.9167.1-76.1-103.8000113.5H183 E188 A196 V287 N288 S289 A290 H321 H325H183-H292 AromaticContact CE1-CE1 3.38Å; H183-H292 PolarHBondContact CE1-CE1 3.17Å; H183-H292 AromaticContact CE1-NE2 3.48Å; H183-H292 PolarHBondContact CE1-NE2 3.5Å; H183-H292 AromaticContact NE2-CE1 3.62Å; H183-H292 AromaticContact NE2-NE2 3.5Å; E188-H292 IonicContact OE1-CE1 3.04Å; E188-H292 PolarHBondContact OE1-CE1 3.29Å; E188-H292 IonicContact OE1-CG 3.29Å; E188-H292 IonicContact OE1-ND1 3.77Å; E188-H292 PolarHBondContact OE1-ND1 2.94Å; A196-H292 HydrophobicContact CB-CB 3.53Å; V287-H292 PolarHBondContact O-CD2 2.86Å; N288-H292 PolarHBondContact O-CD2 3.13Å; S289-H292 PolarHBondContact O-N 2.83Å; S289-H292 VanDerWaalsContact O-N 3.13Å; A290-H292 PolarHBondContact O-N 3.4Å; H292-H321 AromaticContact CD2-CD2 3.66Å; H292-H321 AromaticContact CD2-NE2 3.63Å; H292-H321 AromaticContact CE1-NE2 3.9Å; H292-H321 AromaticContact NE2-CD2 3.44Å; H292-H321 PolarHBondContact NE2-CD2 3.4Å; H292-H321 AromaticContact NE2-NE2 3.03Å; H292-H321 PolarHBondContact NE2-NE2 3.19Å; H292-H325 AromaticContact CE1-CE1 3.91Å; H292-H325 AromaticContact CE1-NE2 3.89Å; H292-H325 AromaticContact NE2-NE2 3.95Å
293M96.8Very high97.5Very high66 Ų6633.7 Ų33.733%0.32518%0.175SC..Hα-helixtrans-122.8-41.3-170.3-63.8-1787700113.2F200 S289 A290F200-M293 HydrophobicContact CB-CE 4.21Å; F200-M293 HydrophobicContact CB-SD 3.75Å; F200-M293 HydrophobicContact CD2-SD 4.08Å; F200-M293 HydrophobicContact CG-SD 4.44Å; S289-M293 WeakPolarHBondContact O-CG 3.49Å; S289-M293 PolarHBondContact O-N 3.3Å; A290-M293 PolarHBondContact O-N 3.3Å; A290-M293 VanDerWaalsContact O-N 3.16Å
294W97.8Very high97.4Very high139 Ų13935.8 Ų35.853%0.52719%0.185SC..SBendtrans-127.6128.8-170.7-58.3-62.9000111.9F200 A290 N308F200-W294 HydrophobicContact CB-CH2 4.34Å; F200-W294 AromaticContact CD2-CH2 3.39Å; F200-W294 HydrophobicContact CD2-CH2 3.39Å; F200-W294 AromaticContact CD2-CZ3 3.33Å; F200-W294 HydrophobicContact CD2-CZ3 3.33Å; F200-W294 AromaticContact CE2-CH2 3.88Å; F200-W294 HydrophobicContact CE2-CH2 3.88Å; F200-W294 AromaticContact CE2-CZ3 3.42Å; F200-W294 HydrophobicContact CE2-CZ3 3.42Å; F200-W294 VanDerWaalsContact CE2-CZ3 3.42Å; F200-W294 AromaticContact CG-CH2 3.96Å; F200-W294 HydrophobicContact CG-CH2 3.96Å; F200-W294 HydrophobicContact CG-CZ3 4.32Å; F200-W294 HydrophobicContact CZ-CZ3 4.46Å; A290-W294 HydrophobicContact CB-CE3 3.86Å; A290-W294 HydrophobicContact CB-CZ3 4.18Å; A290-W294 PolarHBondContact O-N 3.08Å; W294-N308 PolarHBondContact O-ND2 3.44Å
295G96.5Very high97.3Very high41 Ų4134.7 Ų34.742%0.42318%0.178SC..SBendtrans137.5-168.1-176.800000112.1R306 E307G295-R306 VanDerWaalsContact C-CD 3.47Å; G295-R306 WeakPolarHBondContact O-CD 3.08Å; G295-R306 PolarHBondContact O-NH1 3.24Å; G295-E307 WeakPolarHBondContact CA-O 3.46Å
296N96.3Very high97.3Very high58 Ų5836.9 Ų36.931%0.3119%0.186SC..BIsolated β-bridgetrans-108.5161.7178.567.4-55.4000111.7P298 R306 E307 E376 S378N296-P298 VanDerWaalsContact C-CD 3.48Å; N296-R306 CarbonylContact O-C 3.56Å; N296-R306 WeakPolarHBondContact O-CA 3.48Å; N296-E307 PolarHBondContact N-O 3.38Å; N296-E307 PolarHBondContact O-N 2.75Å; N296-E307 WeakPolarHBondContact OD1-CB 3.36Å; N296-E307 PolarHBondContact OD1-O 2.72Å; N296-E376 WeakPolarHBondContact CA-OE1 3.19Å; N296-E376 WeakPolarHBondContact CB-OE1 3.25Å; N296-S378 WeakPolarHBondContact CB-OG 3.25Å; N296-S378 PolarHBondContact ND2-OG 2.85Å
297R97.2Very high97.2Very high44 Ų4436.1 Ų36.117%0.16618%0.182CC..  trans-128.766.7-176.7-60.2175.8-67.8177.34.5111.6Y299 Q301 I303 P305 R306 N322 E376R297-Y299 PolarHBondContact O-N 3.05Å; R297-Q301 VanDerWaalsContact CZ-O 3.23Å; R297-Q301 PolarHBondContact NH1-O 3.37Å; R297-I303 WeakPolarHBondContact CD-O 3.28Å; R297-I303 PolarHBondContact NH1-O 3.28Å; R297-I303 VanDerWaalsContact NH1-O 3.17Å; R297-P305 WeakPolarHBondContact CG-O 3.49Å; R297-R306 HydrophobicContact CG-CG 3.91Å; R297-R306 VanDerWaalsContact NE-CZ 3.26Å; R297-N322 VanDerWaalsContact C-OD1 3.25Å; R297-N322 WeakPolarHBondContact CA-OD1 3.47Å; R297-E376 HydrophobicContact CB-CG 4.41Å; R297-E376 WeakPolarHBondContact CB-OE2 3.46Å; R297-E376 IonicContact CZ-OE2 3.78Å; R297-E376 PolarHBondContact N-OE1 3.02Å; R297-E376 PolarHBondContact N-OE2 3.05Å; R297-E376 IonicContact NE-OE2 3.9Å; R297-E376 PolarHBondContact NE-OE2 3.25Å; R297-E376 IonicContact NH2-OE2 2.65Å; R297-E376 VanDerWaalsContact O-CG 3.29Å; R297-E376 WeakPolarHBondContact O-CG 3.47Å; R297-E376 PolarHBondContact O-N 3.1Å
298P97.3Very high97.2Very high4 Ų436.6 Ų36.63%0.02618%0.184CC..SBendtrans-68.7-18-173.227.3-32.1000113.6N296 E307 G375 H379N296-P298 VanDerWaalsContact C-CD 3.48Å; P298-E307 VanDerWaalsContact CD-CG 3.49Å; P298-E307 HydrophobicContact CG-CG 3.75Å; P298-G375 VanDerWaalsContact O-CA 3.24Å; P298-G375 WeakPolarHBondContact O-CA 3.42Å; P298-H379 HydrophobicContact CB-CB 3.81Å
299Y97.7Very high97Very high1 Ų145.1 Ų45.10%0.00422%0.215CC..SBendtrans-103.5-44.9-175.4-50.4-75000112.7R297 E307 N322 Y323 F327 E335 V367 I371 T374 G375 H379R297-Y299 PolarHBondContact O-N 3.05Å; Y299-E307 HydrophobicContact CE2-CG 4.37Å; Y299-N322 WeakPolarHBondContact CA-OD1 3.4Å; Y299-N322 WeakPolarHBondContact CB-OD1 3.12Å; Y299-N322 HydrophobicContact CD2-CB 4.37Å; Y299-N322 PolarHBondContact N-OD1 3.38Å; Y299-Y323 AromaticContact CD1-CD2 3.92Å; Y299-Y323 HydrophobicContact CD1-CD2 3.92Å; Y299-Y323 VanDerWaalsContact CD2-CA 3.49Å; Y299-Y323 AromaticContact CD2-CD2 3.93Å; Y299-Y323 HydrophobicContact CD2-CD2 3.93Å; Y299-Y323 HydrophobicContact CD2-CG 4.31Å; Y299-Y323 AromaticContact CE1-CD2 3.6Å; Y299-Y323 HydrophobicContact CE1-CD2 3.6Å; Y299-Y323 HydrophobicContact CE1-CE2 4.13Å; Y299-Y323 VanDerWaalsContact CE2-CB 3.48Å; Y299-Y323 AromaticContact CE2-CD2 3.61Å; Y299-Y323 HydrophobicContact CE2-CD2 3.61Å; Y299-Y323 HydrophobicContact CE2-CG 4.03Å; Y299-Y323 HydrophobicContact CG-CD2 4.09Å; Y299-Y323 AromaticContact CZ-CD2 3.45Å; Y299-Y323 VanDerWaalsContact CZ-CD2 3.45Å; Y299-F327 HydrophobicContact CD1-CE2 4.38Å; Y299-E335 HydrophobicContact CE1-CB 4.48Å; Y299-E335 VanDerWaalsContact CE1-OE2 3.26Å; Y299-E335 WeakPolarHBondContact CE1-OE2 3.18Å; Y299-E335 VanDerWaalsContact OH-CB 3.28Å; Y299-E335 WeakPolarHBondContact OH-CB 3.44Å; Y299-E335 PolarHBondContact OH-OE2 2.99Å; Y299-V367 HydrophobicContact CD1-CG1 4.14Å; Y299-V367 HydrophobicContact CE1-CG1 3.84Å; Y299-I371 HydrophobicContact CD1-CD1 4.03Å; Y299-I371 HydrophobicContact CD1-CG1 3.68Å; Y299-I371 HydrophobicContact CE1-CD1 3.96Å; Y299-I371 HydrophobicContact CE1-CG1 4.12Å; Y299-T374 CarbonylContact O-C 3.15Å; Y299-T374 PolarHBondContact O-OG1 3.42Å; Y299-G375 PolarHBondContact O-N 3.46Å; Y299-H379 AromaticContact CE1-CD2 3.96Å
300D97.4Very high96.8Very high7 Ų751.7 Ų51.74%0.03724%0.243CC..  trans-146.2111.3176.1-164.9-18000112.3N302 I303 N322 R370 T374D300-N302 VanDerWaalsContact C-N 3.31Å; D300-N302 VanDerWaalsContact OD1-CB 3.28Å; D300-N302 WeakPolarHBondContact OD1-CB 3.46Å; D300-N302 PolarHBondContact OD1-N 3.19Å; D300-N302 PolarHBondContact OD1-ND2 3.29Å; D300-N302 VanDerWaalsContact OD1-ND2 3.09Å; D300-I303 HydrophobicContact CB-CD1 4.2Å; D300-I303 HydrophobicContact CB-CG1 4.07Å; D300-I303 WeakPolarHBondContact O-CG1 3.31Å; D300-N322 PolarHBondContact N-OD1 2.79Å; D300-N322 VanDerWaalsContact N-OD1 3.07Å; D300-N322 PolarHBondContact O-ND2 3.06Å; D300-R370 IonicContact OD2-CZ 3.69Å; D300-R370 IonicContact OD2-NE 3.35Å; D300-R370 IonicContact OD2-NH2 2.73Å; D300-R370 PolarHBondContact OD2-NH2 3.35Å; D300-T374 WeakPolarHBondContact CA-O 3.27Å
301Q96.8Very high96.7Very high84 Ų8451.4 Ų51.439%0.39324%0.241SC..THydrogen-bonded Turntrans-80.2-9.9179.276.3-172-53.400114R297 I303 T374 G375 E376R297-Q301 VanDerWaalsContact CZ-O 3.23Å; R297-Q301 PolarHBondContact NH1-O 3.37Å; Q301-I303 VanDerWaalsContact C-N 3.33Å; Q301-T374 VanDerWaalsContact CG-O 3.32Å; Q301-T374 WeakPolarHBondContact CG-O 3.14Å; Q301-T374 PolarHBondContact N-O 3.13Å; Q301-G375 PolarHBondContact NE2-O 3.29Å; Q301-E376 HydrophobicContact CB-CB 3.81Å
302N96.4Very high96.5Very high120 Ų12051.4 Ų51.464%0.64224%0.241SC*.THydrogen-bonded Turntrans-85.4-10.3-178-55.1-57.4000112.7D300D300-N302 VanDerWaalsContact C-N 3.31Å; D300-N302 VanDerWaalsContact OD1-CB 3.28Å; D300-N302 WeakPolarHBondContact OD1-CB 3.46Å; D300-N302 PolarHBondContact OD1-N 3.19Å; D300-N302 PolarHBondContact OD1-ND2 3.29Å; D300-N302 VanDerWaalsContact OD1-ND2 3.09Å
303I96.1Very high96.2Very high23 Ų2356.7 Ų56.712%0.11827%0.269CS..SBendtrans-105.3160.7174.166.1172.8000110.6R297 D300 Q301 P305 H325R297-I303 WeakPolarHBondContact CD-O 3.28Å; R297-I303 PolarHBondContact NH1-O 3.28Å; R297-I303 VanDerWaalsContact NH1-O 3.17Å; D300-I303 HydrophobicContact CB-CD1 4.2Å; D300-I303 HydrophobicContact CB-CG1 4.07Å; D300-I303 WeakPolarHBondContact O-CG1 3.31Å; Q301-I303 VanDerWaalsContact C-N 3.33Å; I303-P305 HydrophobicContact CD1-CB 4.3Å; I303-P305 HydrophobicContact CD1-CG 4.19Å; I303-H325 HydrophobicContact CD1-CB 3.71Å
304N96Very high95.9Very high56 Ų5654.9 Ų54.930%0.29926%0.263SS..SBendtrans-78.9-36177.4-81.21000115.6E188 R306E188-N304 HydrophobicContact CG-CB 3.8Å; E188-N304 WeakPolarHBondContact CG-ND2 3.36Å; E188-N304 VanDerWaalsContact OE1-CB 3.31Å; E188-N304 WeakPolarHBondContact OE1-CB 3.04Å; N304-R306 WeakPolarHBondContact O-CG 3.24Å
305P97.4Very high95.7Very high0 Ų048.7 Ų48.70%024%0.241CC..  trans-49.3138.5178.1-30.134.7000113.3A291 R297 I303 H321 N322 H325A291-P305 CarbonylContact O-C 3.43Å; A291-P305 WeakPolarHBondContact O-CA 3.37Å; R297-P305 WeakPolarHBondContact CG-O 3.49Å; I303-P305 HydrophobicContact CD1-CB 4.3Å; I303-P305 HydrophobicContact CD1-CG 4.19Å; P305-H321 HydrophobicContact CB-CB 4.41Å; P305-H321 WeakPolarHBondContact CB-O 3.31Å; P305-N322 VanDerWaalsContact O-CB 3.3Å; P305-N322 WeakPolarHBondContact O-CB 3.44Å; P305-N322 PolarHBondContact O-ND2 3.24Å; P305-H325 HydrophobicContact CB-CB 3.89Å; P305-H325 HydrophobicContact CG-CB 3.68Å; P305-H325 VanDerWaalsContact CG-CD2 3.49Å; P305-H325 WeakPolarHBondContact CG-CD2 3.49Å
306R97.5Very high95.6Very high54 Ų5447.4 Ų47.420%0.20423%0.225CC..  trans-135.6147.6-168.6-55.9-132.9178.8-148.91.2111.4A291 G295 N296 R297 N304 N308 H321 E376A291-R306 WeakPolarHBondContact O-CA 3.24Å; A291-R306 PolarHBondContact O-N 3.28Å; G295-R306 VanDerWaalsContact C-CD 3.47Å; G295-R306 WeakPolarHBondContact O-CD 3.08Å; G295-R306 PolarHBondContact O-NH1 3.24Å; N296-R306 CarbonylContact O-C 3.56Å; N296-R306 WeakPolarHBondContact O-CA 3.48Å; R297-R306 HydrophobicContact CG-CG 3.91Å; R297-R306 VanDerWaalsContact NE-CZ 3.26Å; N304-R306 WeakPolarHBondContact O-CG 3.24Å; R306-N308 PolarHBondContact O-N 3.46Å; R306-H321 VanDerWaalsContact O-CB 3.25Å; R306-H321 WeakPolarHBondContact O-CB 3.25Å; R306-H321 PolarHBondContact O-N 2.79Å; R306-E376 IonicContact NH1-OE2 3.78Å
307E97.5Very high95.5Very high15 Ų1544.7 Ų44.77%0.0721%0.21CC..BIsolated β-bridgetrans-73.4120167.2-53.4-64.6117.400109.1G295 N296 P298 Y299 G319 F320 H321 N322 Y323G295-E307 WeakPolarHBondContact CA-O 3.46Å; N296-E307 PolarHBondContact N-O 3.38Å; N296-E307 PolarHBondContact O-N 2.75Å; N296-E307 WeakPolarHBondContact OD1-CB 3.36Å; N296-E307 PolarHBondContact OD1-O 2.72Å; P298-E307 VanDerWaalsContact CD-CG 3.49Å; P298-E307 HydrophobicContact CG-CG 3.75Å; Y299-E307 HydrophobicContact CE2-CG 4.37Å; E307-G319 WeakPolarHBondContact CA-O 3.04Å; E307-F320 WeakPolarHBondContact OE1-CA 3.4Å; E307-F320 WeakPolarHBondContact OE2-CA 3.46Å; E307-F320 WeakPolarHBondContact OE2-CB 3.12Å; E307-F320 WeakPolarHBondContact OE2-CD1 3.46Å; E307-H321 PolarHBondContact OE1-N 3.43Å; E307-N322 HydrophobicContact CG-CB 4.01Å; E307-N322 WeakPolarHBondContact OE1-CA 3.35Å; E307-N322 VanDerWaalsContact OE1-CB 3.27Å; E307-N322 WeakPolarHBondContact OE1-CB 3.46Å; E307-N322 PolarHBondContact OE1-N 3.33Å; E307-Y323 PolarHBondContact OE1-N 3Å
308N97.1Very high95.5Very high25 Ų2543 Ų4313%0.13420%0.204CC..  trans-135.2108-177.6-171.6-44.4000111.3W294 R306 F310 V311 T312 G319W294-N308 PolarHBondContact O-ND2 3.44Å; R306-N308 PolarHBondContact O-N 3.46Å; N308-F310 VanDerWaalsContact C-N 3.29Å; N308-F310 PolarHBondContact O-N 3.17Å; N308-F310 WeakPolarHBondContact OD1-CB 3.3Å; N308-F310 PolarHBondContact OD1-N 3.43Å; N308-F310 VanDerWaalsContact OD1-N 3.08Å; N308-V311 HydrophobicContact CB-CB 4.04Å; N308-V311 HydrophobicContact CB-CG2 3.84Å; N308-V311 PolarHBondContact O-N 2.63Å; N308-V311 VanDerWaalsContact O-N 3.1Å; N308-V311 PolarHBondContact OD1-N 2.77Å; N308-T312 PolarHBondContact O-N 3.14Å; N308-T312 PolarHBondContact O-OG1 2.86Å; N308-T312 VanDerWaalsContact O-OG1 3.05Å; N308-G319 PolarHBondContact N-O 3.33Å
309R93.8Very high95.5Very high199 Ų19942.9 Ų42.975%0.75120%0.203SC*.Hα-helixtrans-59.8-34.9-176.2-66.2-179.367.6-175.21113.9T312 L313R309-T312 WeakPolarHBondContact O-CB 3.12Å; R309-T312 PolarHBondContact O-N 3.38Å; R309-L313 WeakPolarHBondContact O-CG 3.23Å; R309-L313 PolarHBondContact O-N 2.91Å; R309-L313 VanDerWaalsContact O-N 3.13Å
310F94.7Very high95.4Very high137 Ų13743.8 Ų43.860%0.60121%0.207SC*.Hα-helixtrans-68.6-41.5178177.5-101.4000110.8L286 N308 T312 L313 S314L286-F310 HydrophobicContact CD1-CD1 4.31Å; L286-F310 HydrophobicContact CD1-CE1 3.65Å; N308-F310 VanDerWaalsContact C-N 3.29Å; N308-F310 PolarHBondContact O-N 3.17Å; N308-F310 WeakPolarHBondContact OD1-CB 3.3Å; N308-F310 PolarHBondContact OD1-N 3.43Å; N308-F310 VanDerWaalsContact OD1-N 3.08Å; F310-T312 VanDerWaalsContact C-N 3.34Å; F310-L313 PolarHBondContact O-N 3.43Å; F310-S314 PolarHBondContact O-N 3.46Å; F310-S314 PolarHBondContact O-OG 3.01Å
311V94.6Very high95.5Very high0 Ų043.6 Ų43.60%021%0.206CC..Hα-helixtrans-64.8-40.6173.3-1760000110.5L286 V287 A290 A291 N308 L313 S314 A315L286-V311 HydrophobicContact CB-CG2 4.2Å; V287-V311 HydrophobicContact CB-CG1 4.37Å; V287-V311 HydrophobicContact CG2-CG1 3.68Å; A290-V311 HydrophobicContact CB-CG2 3.93Å; A291-V311 HydrophobicContact CB-CG1 4.29Å; A291-V311 HydrophobicContact CB-CG2 4.38Å; N308-V311 HydrophobicContact CB-CB 4.04Å; N308-V311 HydrophobicContact CB-CG2 3.84Å; N308-V311 PolarHBondContact O-N 2.63Å; N308-V311 VanDerWaalsContact O-N 3.1Å; N308-V311 PolarHBondContact OD1-N 2.77Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.33Å; V311-S314 WeakPolarHBondContact CA-OG 3.39Å; V311-S314 PolarHBondContact O-N 2.89Å; V311-S314 PolarHBondContact O-OG 3.25Å; V311-A315 HydrophobicContact CG1-CB 4.35Å; V311-A315 WeakPolarHBondContact O-CB 3.22Å; V311-A315 PolarHBondContact O-N 2.83Å
312T93.8Very high95.5Very high1 Ų139.6 Ų39.61%0.00619%0.187CC..Hα-helixtrans-56.7-43.5177.3-58.40000111.7N308 R309 F310 I316 G317 G319 F320 L340N308-T312 PolarHBondContact O-N 3.14Å; N308-T312 PolarHBondContact O-OG1 2.86Å; N308-T312 VanDerWaalsContact O-OG1 3.05Å; R309-T312 WeakPolarHBondContact O-CB 3.12Å; R309-T312 PolarHBondContact O-N 3.38Å; F310-T312 VanDerWaalsContact C-N 3.34Å; T312-I316 PolarHBondContact O-N 2.96Å; T312-G317 PolarHBondContact O-N 2.8Å; T312-G319 WeakPolarHBondContact OG1-CA 3.43Å; T312-F320 HydrophobicContact CG2-CD2 3.96Å; T312-F320 HydrophobicContact CG2-CE1 4.35Å; T312-F320 HydrophobicContact CG2-CE2 3.34Å; T312-F320 HydrophobicContact CG2-CZ 3.59Å; T312-L340 HydrophobicContact CG2-CB 3.73Å; T312-L340 WeakPolarHBondContact CG2-O 3.42Å
313L91.9Very high95.6Very high116 Ų11634 Ų3461%0.60716%0.157SC*.Hα-helixtrans-70.9-46.9178.2-69.2172.4000112.4R309 F310 V311 L340R309-L313 WeakPolarHBondContact O-CG 3.23Å; R309-L313 PolarHBondContact O-N 2.91Å; R309-L313 VanDerWaalsContact O-N 3.13Å; F310-L313 PolarHBondContact O-N 3.43Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.33Å; L313-L340 HydrophobicContact CD2-CD2 4.1Å
314S91.1Very high95.7Very high28 Ų2832.9 Ų32.920%0.19615%0.151CC..Hα-helixtrans-71.2-36.5-17652.40000113.3A283 F310 V311A283-S314 WeakPolarHBondContact CB-O 3.01Å; F310-S314 PolarHBondContact O-N 3.46Å; F310-S314 PolarHBondContact O-OG 3.01Å; V311-S314 WeakPolarHBondContact CA-OG 3.39Å; V311-S314 PolarHBondContact O-N 2.89Å; V311-S314 PolarHBondContact O-OG 3.25Å
315A93Very high95.8Very high9 Ų931.1 Ų31.17%0.07414%0.141CC..THydrogen-bonded Turntrans-101.327.2178.400000112.8V287 V311 G317 E318V287-A315 HydrophobicContact CG2-CB 3.78Å; V311-A315 HydrophobicContact CG1-CB 4.35Å; V311-A315 WeakPolarHBondContact O-CB 3.22Å; V311-A315 PolarHBondContact O-N 2.83Å; A315-G317 PolarHBondContact O-N 2.9Å; A315-E318 HydrophobicContact CB-CB 4.06Å; A315-E318 PolarHBondContact O-N 3.27Å; A315-E318 VanDerWaalsContact O-N 3.16Å
316I95.1Very high95.8Very high15 Ų1531.8 Ų31.88%0.07715%0.145CC..THydrogen-bonded Turntrans47.732.3170.465.8159000116.2F131 L132 A135 L136 T139 T312 L342 T343F131-I316 HydrophobicContact CE1-CG2 4.46Å; L132-I316 HydrophobicContact CD2-CG2 4.35Å; A135-I316 HydrophobicContact CB-CD1 3.4Å; A135-I316 VanDerWaalsContact CB-CD1 3.4Å; A135-I316 HydrophobicContact CB-CG1 3.93Å; L136-I316 HydrophobicContact CD2-CD1 4.13Å; L136-I316 HydrophobicContact CG-CD1 4.38Å; T139-I316 HydrophobicContact CG2-CD1 4.26Å; T139-I316 HydrophobicContact CG2-CG1 4.02Å; T312-I316 PolarHBondContact O-N 2.96Å; I316-L342 HydrophobicContact CB-CB 4.25Å; I316-L342 HydrophobicContact CG2-CD2 4.49Å; I316-L342 PolarHBondContact O-N 2.93Å; I316-T343 WeakPolarHBondContact CD1-OG1 3.47Å; I316-T343 PolarHBondContact O-N 3.02Å; I316-T343 PolarHBondContact O-OG1 3.39Å; I316-T343 VanDerWaalsContact O-OG1 3.11Å
317G94.1Very high95.8Very high0 Ų029.5 Ų29.50%014%0.137CC..THydrogen-bonded Turntrans128.7-14.6179.100000115.9T312 A315 G319 F320T312-G317 PolarHBondContact O-N 2.8Å; A315-G317 PolarHBondContact O-N 2.9Å; G317-G319 VanDerWaalsContact C-N 3.3Å; G317-G319 PolarHBondContact O-N 2.98Å; G317-F320 VanDerWaalsContact O-CD2 3.32Å; G317-F320 WeakPolarHBondContact O-CD2 3.37Å
318E96.8Very high95.8Very high10 Ų1029.3 Ų29.35%0.04714%0.137CC..THydrogen-bonded Turntrans-84.55.4-172.3-55.4-46.6139.900115.7T139 H143 R144 V287 A315 F320 T333T139-E318 VanDerWaalsContact CB-OE1 3.32Å; T139-E318 WeakPolarHBondContact CB-OE1 3.44Å; T139-E318 HydrophobicContact CG2-CG 3.47Å; T139-E318 VanDerWaalsContact CG2-CG 3.47Å; H143-E318 IonicContact CE1-OE2 3.8Å; H143-E318 PolarHBondContact CE1-OE2 2.89Å; H143-E318 IonicContact ND1-OE2 2.82Å; H143-E318 PolarHBondContact ND1-OE2 2.86Å; R144-E318 IonicContact CZ-OE1 2.77Å; R144-E318 IonicContact NE-OE1 3.72Å; R144-E318 PolarHBondContact NE-OE1 2.67Å; R144-E318 IonicContact NE-OE2 3.54Å; R144-E318 IonicContact NH2-OE1 2.73Å; R144-E318 PolarHBondContact NH2-OE1 2.8Å; R144-E318 IonicContact NH2-OE2 3.65Å; V287-E318 HydrophobicContact CG2-CB 4.05Å; A315-E318 HydrophobicContact CB-CB 4.06Å; A315-E318 PolarHBondContact O-N 3.27Å; A315-E318 VanDerWaalsContact O-N 3.16Å; E318-F320 VanDerWaalsContact C-N 3.31Å; E318-F320 PolarHBondContact O-N 3.06Å; E318-T333 PolarHBondContact OE2-OG1 3.42Å
319G96.1Very high95.8Very high0 Ų033 Ų330%015%0.15CC..THydrogen-bonded Turntrans-80.8-5.7178.300000115.1E307 N308 T312 G317 H321E307-G319 WeakPolarHBondContact CA-O 3.04Å; N308-G319 PolarHBondContact N-O 3.33Å; T312-G319 WeakPolarHBondContact OG1-CA 3.43Å; G317-G319 VanDerWaalsContact C-N 3.3Å; G317-G319 PolarHBondContact O-N 2.98Å; G319-H321 PolarHBondContact O-N 2.88Å
320F97.3Very high96Very high21 Ų2123.5 Ų23.59%0.09211%0.114CC..BIsolated β-bridgetrans-81.256.6173.9-57.5-75.1000110.6E307 T312 G317 E318 H324 T333 S334 Y336 L340 N341E307-F320 WeakPolarHBondContact OE1-CA 3.4Å; E307-F320 WeakPolarHBondContact OE2-CA 3.46Å; E307-F320 WeakPolarHBondContact OE2-CB 3.12Å; E307-F320 WeakPolarHBondContact OE2-CD1 3.46Å; T312-F320 HydrophobicContact CG2-CD2 3.96Å; T312-F320 HydrophobicContact CG2-CE1 4.35Å; T312-F320 HydrophobicContact CG2-CE2 3.34Å; T312-F320 HydrophobicContact CG2-CZ 3.59Å; G317-F320 VanDerWaalsContact O-CD2 3.32Å; G317-F320 WeakPolarHBondContact O-CD2 3.37Å; E318-F320 VanDerWaalsContact C-N 3.31Å; E318-F320 PolarHBondContact O-N 3.06Å; F320-H324 WeakPolarHBondContact O-CB 3.23Å; F320-H324 PolarHBondContact O-N 2.92Å; F320-T333 WeakPolarHBondContact CB-O 3.21Å; F320-S334 VanDerWaalsContact CG-CB 3.49Å; F320-Y336 HydrophobicContact CE1-CD2 4.13Å; F320-L340 HydrophobicContact CZ-CB 4.22Å; F320-N341 HydrophobicContact CE2-CB 4.36Å
321H97.8Very high96.2Very high3 Ų318 Ų181%0.0149%0.089CC..Hα-helixtrans-81.5-26.2-160-148.554.1000113.7V287 A291 H292 P305 R306 E307 G319 H324 H325V287-H321 WeakPolarHBondContact CG1-CE1 3.06Å; A291-H321 HydrophobicContact CB-CB 3.67Å; H292-H321 AromaticContact CD2-CD2 3.66Å; H292-H321 AromaticContact CD2-NE2 3.63Å; H292-H321 AromaticContact CE1-NE2 3.9Å; H292-H321 AromaticContact NE2-CD2 3.44Å; H292-H321 PolarHBondContact NE2-CD2 3.4Å; H292-H321 AromaticContact NE2-NE2 3.03Å; H292-H321 PolarHBondContact NE2-NE2 3.19Å; P305-H321 HydrophobicContact CB-CB 4.41Å; P305-H321 WeakPolarHBondContact CB-O 3.31Å; R306-H321 VanDerWaalsContact O-CB 3.25Å; R306-H321 WeakPolarHBondContact O-CB 3.25Å; R306-H321 PolarHBondContact O-N 2.79Å; E307-H321 PolarHBondContact OE1-N 3.43Å; G319-H321 PolarHBondContact O-N 2.88Å; H321-H324 AromaticContact CE1-CD2 3.93Å; H321-H324 AromaticContact ND1-CD2 3.88Å; H321-H324 PolarHBondContact O-N 3.4Å; H321-H325 AromaticContact CD2-CD2 3.68Å; H321-H325 AromaticContact CD2-NE2 3.7Å; H321-H325 AromaticContact CE1-CD2 3.62Å; H321-H325 AromaticContact CE1-NE2 3.37Å; H321-H325 PolarHBondContact CE1-NE2 3.4Å; H321-H325 AromaticContact CG-CD2 3.97Å; H321-H325 AromaticContact ND1-CD2 3.96Å; H321-H325 AromaticContact NE2-CD2 3.49Å; H321-H325 PolarHBondContact NE2-CD2 3.05Å; H321-H325 AromaticContact NE2-NE2 3.06Å; H321-H325 PolarHBondContact NE2-NE2 3.38Å; H321-H325 PolarHBondContact O-CD2 2.86Å; H321-H325 PolarHBondContact O-N 3.41Å
322N98.3Very high96.3Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-66.7-43.7172.5-172.3-116.2000110.4R297 Y299 D300 P305 E307 T326R297-N322 VanDerWaalsContact C-OD1 3.25Å; R297-N322 WeakPolarHBondContact CA-OD1 3.47Å; Y299-N322 WeakPolarHBondContact CA-OD1 3.4Å; Y299-N322 WeakPolarHBondContact CB-OD1 3.12Å; Y299-N322 HydrophobicContact CD2-CB 4.37Å; Y299-N322 PolarHBondContact N-OD1 3.38Å; D300-N322 PolarHBondContact N-OD1 2.79Å; D300-N322 VanDerWaalsContact N-OD1 3.07Å; D300-N322 PolarHBondContact O-ND2 3.06Å; P305-N322 VanDerWaalsContact O-CB 3.3Å; P305-N322 WeakPolarHBondContact O-CB 3.44Å; P305-N322 PolarHBondContact O-ND2 3.24Å; E307-N322 HydrophobicContact CG-CB 4.01Å; E307-N322 WeakPolarHBondContact OE1-CA 3.35Å; E307-N322 VanDerWaalsContact OE1-CB 3.27Å; E307-N322 WeakPolarHBondContact OE1-CB 3.46Å; E307-N322 PolarHBondContact OE1-N 3.33Å; N322-T326 VanDerWaalsContact O-CB 3.31Å; N322-T326 WeakPolarHBondContact O-CB 3.26Å; N322-T326 PolarHBondContact O-N 2.89Å; N322-T326 VanDerWaalsContact O-N 3.12Å; N322-T326 PolarHBondContact O-OG1 3.42Å
323Y98.1Very high96.5Very high1 Ų118 Ų180%0.0049%0.09CC..Hα-helixtrans-59.1-50.4173.3-172.1-91.6000110.4Y299 E307 H325 T326 F327 D330 S334 E335 V367Y299-Y323 AromaticContact CD1-CD2 3.92Å; Y299-Y323 HydrophobicContact CD1-CD2 3.92Å; Y299-Y323 VanDerWaalsContact CD2-CA 3.49Å; Y299-Y323 AromaticContact CD2-CD2 3.93Å; Y299-Y323 HydrophobicContact CD2-CD2 3.93Å; Y299-Y323 HydrophobicContact CD2-CG 4.31Å; Y299-Y323 AromaticContact CE1-CD2 3.6Å; Y299-Y323 HydrophobicContact CE1-CD2 3.6Å; Y299-Y323 HydrophobicContact CE1-CE2 4.13Å; Y299-Y323 VanDerWaalsContact CE2-CB 3.48Å; Y299-Y323 AromaticContact CE2-CD2 3.61Å; Y299-Y323 HydrophobicContact CE2-CD2 3.61Å; Y299-Y323 HydrophobicContact CE2-CG 4.03Å; Y299-Y323 HydrophobicContact CG-CD2 4.09Å; Y299-Y323 AromaticContact CZ-CD2 3.45Å; Y299-Y323 VanDerWaalsContact CZ-CD2 3.45Å; E307-Y323 PolarHBondContact OE1-N 3Å; Y323-H325 PolarHBondContact O-N 3.01Å; Y323-T326 WeakPolarHBondContact O-CB 3.38Å; Y323-T326 PolarHBondContact O-N 3.46Å; Y323-T326 VanDerWaalsContact O-N 3.1Å; Y323-F327 HydrophobicContact CD1-CD2 4.27Å; Y323-F327 AromaticContact CD2-CD2 3.75Å; Y323-F327 HydrophobicContact CD2-CD2 3.75Å; Y323-F327 HydrophobicContact CD2-CE2 4.01Å; Y323-F327 HydrophobicContact CE1-CB 4.3Å; Y323-F327 HydrophobicContact CE1-CD2 4.07Å; Y323-F327 AromaticContact CE2-CD2 3.54Å; Y323-F327 HydrophobicContact CE2-CD2 3.54Å; Y323-F327 AromaticContact CE2-CE2 3.77Å; Y323-F327 HydrophobicContact CE2-CE2 3.77Å; Y323-F327 HydrophobicContact CG-CD2 4.14Å; Y323-F327 AromaticContact CZ-CD2 3.72Å; Y323-F327 PolarHBondContact O-N 2.97Å; Y323-D330 HydrophobicContact CE1-CB 3.98Å; Y323-D330 PolarHBondContact OH-OD2 3.15Å; Y323-S334 VanDerWaalsContact CD1-CA 3.45Å; Y323-S334 VanDerWaalsContact CE1-C 3.49Å; Y323-E335 HydrophobicContact CD2-CB 4.08Å; Y323-E335 HydrophobicContact CE2-CB 3.8Å; Y323-V367 HydrophobicContact CE2-CG1 4.33Å; Y323-V367 HydrophobicContact CE2-CG2 3.94Å
324H98.3Very high96.7Very high1 Ų112.5 Ų12.51%0.0056%0.061CC..Hα-helixtrans-59-47.7-176.3177.246.9000113.2H143 H148 H180 H184 F320 H321 T326 F327 P328H143-H324 AromaticContact CD2-NE2 3.99Å; H143-H324 AromaticContact CE1-CE1 3.67Å; H143-H324 AromaticContact CE1-NE2 3.5Å; H143-H324 PolarHBondContact CE1-NE2 3.19Å; H143-H324 AromaticContact NE2-CD2 3.72Å; H143-H324 AromaticContact NE2-CE1 3.17Å; H143-H324 PolarHBondContact NE2-CE1 3.43Å; H143-H324 AromaticContact NE2-NE2 2.82Å; H143-H324 PolarHBondContact NE2-NE2 2.87Å; H148-H324 AromaticContact CD2-CE1 3.65Å; H148-H324 AromaticContact CE1-CE1 3.75Å; H148-H324 AromaticContact NE2-CE1 3.24Å; H148-H324 PolarHBondContact NE2-CE1 2.89Å; H148-H324 AromaticContact NE2-NE2 3.37Å; H148-H324 PolarHBondContact NE2-NE2 3.33Å; H180-H324 AromaticContact NE2-NE2 3.94Å; H184-H324 AromaticContact CE1-CD2 3.6Å; H184-H324 AromaticContact CE1-CE1 3.65Å; H184-H324 AromaticContact CE1-NE2 3.11Å; H184-H324 PolarHBondContact CE1-NE2 3.41Å; H184-H324 AromaticContact NE2-CD2 3.72Å; H184-H324 AromaticContact NE2-CE1 3.82Å; H184-H324 AromaticContact NE2-NE2 3Å; H184-H324 PolarHBondContact NE2-NE2 3.22Å; F320-H324 WeakPolarHBondContact O-CB 3.23Å; F320-H324 PolarHBondContact O-N 2.92Å; H321-H324 AromaticContact CE1-CD2 3.93Å; H321-H324 AromaticContact ND1-CD2 3.88Å; H321-H324 PolarHBondContact O-N 3.4Å; H324-T326 VanDerWaalsContact C-N 3.26Å; H324-T326 PolarHBondContact O-N 3.3Å; H324-F327 CarbonylContact O-C 3.52Å; H324-F327 PolarHBondContact O-N 3.4Å; H324-P328 WeakPolarHBondContact O-CA 3.34Å
325H97.9Very high96.9Very high19 Ų1913.3 Ų13.39%0.0886%0.062CC..Hα-helixtrans-69.7-25176.7-84.4-104.5000113.5H183 H184 H292 I303 P305 H321 Y323H183-H325 AromaticContact CD2-CE1 3.81Å; H183-H325 AromaticContact CE1-CE1 3.99Å; H183-H325 AromaticContact NE2-CE1 3.21Å; H183-H325 PolarHBondContact NE2-CE1 3.28Å; H183-H325 AromaticContact NE2-NE2 3.42Å; H183-H325 PolarHBondContact NE2-NE2 3Å; H184-H325 AromaticContact CE1-CD2 3.99Å; H184-H325 AromaticContact CE1-CE1 3.88Å; H184-H325 AromaticContact CE1-CG 3.99Å; H184-H325 AromaticContact CE1-ND1 3.93Å; H184-H325 AromaticContact CE1-NE2 3.9Å; H184-H325 AromaticContact ND1-ND1 3.92Å; H184-H325 AromaticContact NE2-NE2 3.98Å; H292-H325 AromaticContact CE1-CE1 3.91Å; H292-H325 AromaticContact CE1-NE2 3.89Å; H292-H325 AromaticContact NE2-NE2 3.95Å; I303-H325 HydrophobicContact CD1-CB 3.71Å; P305-H325 HydrophobicContact CB-CB 3.89Å; P305-H325 HydrophobicContact CG-CB 3.68Å; P305-H325 VanDerWaalsContact CG-CD2 3.49Å; P305-H325 WeakPolarHBondContact CG-CD2 3.49Å; H321-H325 AromaticContact CD2-CD2 3.68Å; H321-H325 AromaticContact CD2-NE2 3.7Å; H321-H325 AromaticContact CE1-CD2 3.62Å; H321-H325 AromaticContact CE1-NE2 3.37Å; H321-H325 PolarHBondContact CE1-NE2 3.4Å; H321-H325 AromaticContact CG-CD2 3.97Å; H321-H325 AromaticContact ND1-CD2 3.96Å; H321-H325 AromaticContact NE2-CD2 3.49Å; H321-H325 PolarHBondContact NE2-CD2 3.05Å; H321-H325 AromaticContact NE2-NE2 3.06Å; H321-H325 PolarHBondContact NE2-NE2 3.38Å; H321-H325 PolarHBondContact O-CD2 2.86Å; H321-H325 PolarHBondContact O-N 3.41Å; Y323-H325 PolarHBondContact O-N 3.01Å
326T97.6Very high96.9Very high14 Ų1416.1 Ų16.19%0.0867%0.07CC..Hα-helixtrans-75-36174.5-56.90000111.7N322 Y323 H324 R370N322-T326 VanDerWaalsContact O-CB 3.31Å; N322-T326 WeakPolarHBondContact O-CB 3.26Å; N322-T326 PolarHBondContact O-N 2.89Å; N322-T326 VanDerWaalsContact O-N 3.12Å; N322-T326 PolarHBondContact O-OG1 3.42Å; Y323-T326 WeakPolarHBondContact O-CB 3.38Å; Y323-T326 PolarHBondContact O-N 3.46Å; Y323-T326 VanDerWaalsContact O-N 3.1Å; H324-T326 VanDerWaalsContact C-N 3.26Å; H324-T326 PolarHBondContact O-N 3.3Å; T326-R370 HydrophobicContact CG2-CG 3.56Å
327F97.8Very high96.7Very high5 Ų516 Ų162%0.0227%0.073CC..  trans-133.369.6-176.7-51.1-69.1000111.3Y299 Y323 H324 Y329 D330 V362 V366 V367 R370Y299-F327 HydrophobicContact CD1-CE2 4.38Å; Y323-F327 HydrophobicContact CD1-CD2 4.27Å; Y323-F327 AromaticContact CD2-CD2 3.75Å; Y323-F327 HydrophobicContact CD2-CD2 3.75Å; Y323-F327 HydrophobicContact CD2-CE2 4.01Å; Y323-F327 HydrophobicContact CE1-CB 4.3Å; Y323-F327 HydrophobicContact CE1-CD2 4.07Å; Y323-F327 AromaticContact CE2-CD2 3.54Å; Y323-F327 HydrophobicContact CE2-CD2 3.54Å; Y323-F327 AromaticContact CE2-CE2 3.77Å; Y323-F327 HydrophobicContact CE2-CE2 3.77Å; Y323-F327 HydrophobicContact CG-CD2 4.14Å; Y323-F327 AromaticContact CZ-CD2 3.72Å; Y323-F327 PolarHBondContact O-N 2.97Å; H324-F327 CarbonylContact O-C 3.52Å; H324-F327 PolarHBondContact O-N 3.4Å; F327-Y329 PolarHBondContact O-N 3.35Å; F327-Y329 VanDerWaalsContact O-N 3.09Å; F327-D330 HydrophobicContact CB-CB 4.4Å; F327-D330 PolarHBondContact O-N 2.87Å; F327-D330 VanDerWaalsContact O-N 3.13Å; F327-V362 HydrophobicContact CB-CG2 3.58Å; F327-V362 HydrophobicContact CD1-CG1 3.97Å; F327-V362 HydrophobicContact CD1-CG2 3.92Å; F327-V362 HydrophobicContact CD2-CG2 4.48Å; F327-V362 HydrophobicContact CE1-CG1 4.02Å; F327-V362 HydrophobicContact CG-CG1 4.36Å; F327-V362 HydrophobicContact CG-CG2 3.75Å; F327-V362 HydrophobicContact CZ-CG1 4.44Å; F327-V366 HydrophobicContact CE1-CG1 3.93Å; F327-V367 HydrophobicContact CE2-CG2 4.19Å; F327-V367 HydrophobicContact CZ-CG2 4.32Å; F327-R370 HydrophobicContact CE1-CB 4.35Å; F327-R370 HydrophobicContact CE1-CG 4.37Å; F327-R370 HydrophobicContact CZ-CB 3.69Å; F327-R370 HydrophobicContact CZ-CG 3.79Å
328P97.1Very high96.7Very high12 Ų1218.6 Ų18.68%0.0789%0.091CC..THydrogen-bonded Turntrans-63.9-21.8-173.524.9-34.6000113.2H148 H324 D330H148-P328 WeakPolarHBondContact CB-O 3.46Å; H148-P328 PolarHBondContact ND1-O 3.3Å; H324-P328 WeakPolarHBondContact O-CA 3.34Å; P328-D330 VanDerWaalsContact C-N 3.33Å; P328-D330 PolarHBondContact O-N 2.85Å
329Y96.3Very high96.5Very high102 Ų10223 Ų2340%0.411%0.11SC..THydrogen-bonded Turntrans-82.7-0.7-179.957.4-94.9000114.7T150 F327 K360 V362T150-Y329 WeakPolarHBondContact CG2-O 3.45Å; F327-Y329 PolarHBondContact O-N 3.35Å; F327-Y329 VanDerWaalsContact O-N 3.09Å; Y329-K360 VanDerWaalsContact O-CB 3.3Å; Y329-K360 WeakPolarHBondContact O-CB 3.34Å; Y329-V362 HydrophobicContact CD2-CG2 4.23Å; Y329-V362 HydrophobicContact CE2-CG2 3.53Å
330D98.3Very high96.3Very high0 Ų027 Ų270%013%0.131CC..  trans-84.8123.7178-165.5-63.2000112.3Y323 F327 P328 A332 T333 R361 V362Y323-D330 HydrophobicContact CE1-CB 3.98Å; Y323-D330 PolarHBondContact OH-OD2 3.15Å; F327-D330 HydrophobicContact CB-CB 4.4Å; F327-D330 PolarHBondContact O-N 2.87Å; F327-D330 VanDerWaalsContact O-N 3.13Å; P328-D330 VanDerWaalsContact C-N 3.33Å; P328-D330 PolarHBondContact O-N 2.85Å; D330-A332 VanDerWaalsContact C-N 3.25Å; D330-A332 PolarHBondContact O-N 2.99Å; D330-A332 PolarHBondContact OD1-N 3.02Å; D330-T333 PolarHBondContact O-N 3.48Å; D330-R361 IonicContact OD1-CZ 3.77Å; D330-R361 IonicContact OD1-NH1 3.21Å; D330-R361 PolarHBondContact OD1-NH1 3.04Å; D330-R361 WeakPolarHBondContact OD2-CA 3.28Å; D330-R361 WeakPolarHBondContact OD2-CD 3.48Å; D330-R361 IonicContact OD2-CZ 2.74Å; D330-R361 IonicContact OD2-NE 3.52Å; D330-R361 IonicContact OD2-NH1 2.73Å; D330-R361 PolarHBondContact OD2-NH1 3.34Å; D330-V362 HydrophobicContact CB-CG2 3.78Å; D330-V362 WeakPolarHBondContact OD2-CG2 3.48Å; D330-V362 PolarHBondContact OD2-N 2.9Å
331Y98.4Very high96.3Very high20 Ų2026 Ų268%0.07813%0.127CC..THydrogen-bonded Turntrans-65-25.3-17692.3-76.8000114.5R144 T150 T344 I347 D348 R359 K360R144-Y331 WeakPolarHBondContact CD-O 3.4Å; R144-Y331 PolarHBondContact NH1-O 3.2Å; T150-Y331 VanDerWaalsContact CB-CA 3.42Å; T150-Y331 WeakPolarHBondContact OG1-CA 3.28Å; Y331-T344 HydrophobicContact CE2-CG2 3.79Å; Y331-I347 HydrophobicContact CD2-CB 4.37Å; Y331-I347 HydrophobicContact CD2-CD1 4.34Å; Y331-I347 HydrophobicContact CD2-CG2 3.84Å; Y331-I347 HydrophobicContact CE2-CB 4.4Å; Y331-I347 HydrophobicContact CE2-CG2 4.09Å; Y331-D348 WeakPolarHBondContact CE2-OD1 3.49Å; Y331-D348 PolarHBondContact OH-OD1 3.43Å; Y331-D348 PolarHBondContact OH-OD2 3.48Å; Y331-R359 HydrophobicContact CD1-CB 3.8Å; Y331-R359 HydrophobicContact CD1-CG 4.43Å; Y331-R359 HydrophobicContact CD2-CB 4.16Å; Y331-R359 HydrophobicContact CD2-CG 3.9Å; Y331-R359 HydrophobicContact CE1-CB 4.02Å; Y331-R359 HydrophobicContact CE2-CB 4.39Å; Y331-R359 HydrophobicContact CE2-CG 4.05Å; Y331-R359 HydrophobicContact CG-CB 3.86Å; Y331-R359 HydrophobicContact CG-CG 4.1Å; Y331-K360 VanDerWaalsContact CD1-O 3.31Å; Y331-K360 WeakPolarHBondContact CD1-O 3.37Å; Y331-K360 PolarHBondContact N-O 2.97Å
332A97.6Very high96.3Very high0 Ų030 Ų300%015%0.147CC..THydrogen-bonded Turntrans-85.7-15.1-17800000112R144 D330 S334 N341 T344R144-A332 VanDerWaalsContact NH1-C 3.3Å; R144-A332 PolarHBondContact NH1-O 3.04Å; R144-A332 VanDerWaalsContact NH1-O 3.16Å; R144-A332 PolarHBondContact NH2-O 3.28Å; D330-A332 VanDerWaalsContact C-N 3.25Å; D330-A332 PolarHBondContact O-N 2.99Å; D330-A332 PolarHBondContact OD1-N 3.02Å; A332-S334 PolarHBondContact O-N 3.18Å; A332-N341 PolarHBondContact O-ND2 3.49Å; A332-T344 VanDerWaalsContact CA-OG1 3.3Å; A332-T344 WeakPolarHBondContact CA-OG1 2.84Å; A332-T344 HydrophobicContact CB-CG2 3.78Å; A332-T344 WeakPolarHBondContact CB-OG1 2.86Å; A332-T344 PolarHBondContact O-OG1 3.38Å
333T97.1Very high96.3Very high2 Ų230 Ų301%0.01215%0.147CC..SBendtrans54.513.4-173.271.50000114.6R144 E318 F320 D330R144-T333 HydrophobicContact CG-CG2 3.77Å; R144-T333 VanDerWaalsContact CZ-OG1 3.26Å; R144-T333 PolarHBondContact NH2-OG1 2.99Å; E318-T333 PolarHBondContact OE2-OG1 3.42Å; F320-T333 WeakPolarHBondContact CB-O 3.21Å; D330-T333 PolarHBondContact O-N 3.48Å
334S96.9Very high96.3Very high0 Ų029.9 Ų29.90%015%0.147CC..SBendtrans-152.6155.9-179.676.40000111.5F320 Y323 A332 Y336 G337 R361F320-S334 VanDerWaalsContact CG-CB 3.49Å; Y323-S334 VanDerWaalsContact CD1-CA 3.45Å; Y323-S334 VanDerWaalsContact CE1-C 3.49Å; A332-S334 PolarHBondContact O-N 3.18Å; S334-Y336 VanDerWaalsContact C-N 3.25Å; S334-Y336 PolarHBondContact O-N 3.17Å; S334-G337 PolarHBondContact OG-O 3.29Å; S334-R361 PolarHBondContact O-NH1 2.6Å; S334-R361 PolarHBondContact O-NH2 2.93Å
335E95.9Very high96.3Very high46 Ų4631.8 Ų31.822%0.21516%0.16CC..THydrogen-bonded Turntrans-67.6-24173.4-176.3-178.5170.900113.5Y299 Y323 R361 V367 H379Y299-E335 HydrophobicContact CE1-CB 4.48Å; Y299-E335 VanDerWaalsContact CE1-OE2 3.26Å; Y299-E335 WeakPolarHBondContact CE1-OE2 3.18Å; Y299-E335 VanDerWaalsContact OH-CB 3.28Å; Y299-E335 WeakPolarHBondContact OH-CB 3.44Å; Y299-E335 PolarHBondContact OH-OE2 2.99Å; Y323-E335 HydrophobicContact CD2-CB 4.08Å; Y323-E335 HydrophobicContact CE2-CB 3.8Å; E335-R361 PolarHBondContact O-NH2 2.89Å; E335-V367 HydrophobicContact CG-CG1 4.37Å; E335-H379 IonicContact OE1-CE1 2.75Å; E335-H379 IonicContact OE1-NE2 3.58Å; E335-H379 PolarHBondContact OE1-NE2 3.43Å; E335-H379 IonicContact OE2-CD2 3.32Å; E335-H379 IonicContact OE2-CE1 3.68Å; E335-H379 IonicContact OE2-NE2 3.85Å; E335-H379 PolarHBondContact OE2-NE2 2.87Å
336Y91.9Very high96.3Very high67 Ų6732.4 Ų32.426%0.26316%0.162SC..THydrogen-bonded Turntrans-101.713.2-165.3-49.7-66.4000115.2F320 S334 C338 K339 R380F320-Y336 HydrophobicContact CE1-CD2 4.13Å; S334-Y336 VanDerWaalsContact C-N 3.25Å; S334-Y336 PolarHBondContact O-N 3.17Å; Y336-C338 PolarHBondContact O-N 3.25Å; Y336-C338 VanDerWaalsContact O-N 3.16Å; Y336-K339 WeakPolarHBondContact O-CB 3.33Å; Y336-K339 PolarHBondContact O-N 3.42Å; Y336-K339 VanDerWaalsContact O-N 3.16Å; Y336-R380 PolarHBondContact OH-O 3.33Å
337G91.7Very high96.4Very high13 Ų1331.8 Ų31.813%0.13416%0.158CC..THydrogen-bonded Turntrans58.5-119.1177.300000111.4S334 K339 N341S334-G337 PolarHBondContact OG-O 3.29Å; G337-K339 VanDerWaalsContact C-N 3.33Å; G337-K339 PolarHBondContact O-N 3.49Å; G337-N341 WeakPolarHBondContact O-CB 3.38Å
338C93.7Very high96.4Very high55 Ų5533.5 Ų33.537%0.37217%0.168SC..THydrogen-bonded Turntrans-70-16.3-178.9-102.40000115.9Y336 L340 N341 C345Y336-C338 PolarHBondContact O-N 3.25Å; Y336-C338 VanDerWaalsContact O-N 3.16Å; C338-L340 PolarHBondContact O-N 2.87Å; C338-N341 PolarHBondContact O-N 3.49Å; C338-C345 WeakPolarHBondContact CA-SG 3.46Å; C338-C345 HydrophobicContact CB-CB 4.47Å; C338-C345 WeakPolarHBondContact CB-SG 3.47Å; C338-C345 WeakPolarHBondContact SG-CA 3.46Å; C338-C345 WeakPolarHBondContact SG-CB 3.34Å; C338-C345 CovalentContact SG-SG 2.04Å; C338-C345 PolarHBondContact SG-SG 2.93Å
339K92.9Very high96.5Very high103 Ų10338.2 Ų38.245%0.44819%0.187SC..THydrogen-bonded Turntrans-65.6112-173.6-170.3179.8-175.5179.90110.1Y336 G337 N341 G382Y336-K339 WeakPolarHBondContact O-CB 3.33Å; Y336-K339 PolarHBondContact O-N 3.42Å; Y336-K339 VanDerWaalsContact O-N 3.16Å; G337-K339 VanDerWaalsContact C-N 3.33Å; G337-K339 PolarHBondContact O-N 3.49Å; K339-N341 PolarHBondContact O-N 3.16Å; K339-G382 PolarHBondContact NZ-O 2.96Å; K339-G382 PolarHBondContact NZ-OXT 2.88Å
340L91.6Very high96.6Very high83 Ų8334.2 Ų34.244%0.43517%0.172SC..THydrogen-bonded Turntrans57.125.9-173-55.5176.2000113.8T312 L313 F320 C338T312-L340 HydrophobicContact CG2-CB 3.73Å; T312-L340 WeakPolarHBondContact CG2-O 3.42Å; L313-L340 HydrophobicContact CD2-CD2 4.1Å; F320-L340 HydrophobicContact CZ-CB 4.22Å; C338-L340 PolarHBondContact O-N 2.87Å
341N96.7Very high96.6Very high1 Ų135.2 Ų35.21%0.00518%0.179CC..  trans-135.786.2-176.3-169.1-26.3000110.1R144 F320 A332 G337 C338 K339 T343 T344 C345R144-N341 PolarHBondContact NH2-ND2 3.41Å; R144-N341 PolarHBondContact NH2-OD1 3.19Å; R144-N341 VanDerWaalsContact NH2-OD1 3.08Å; F320-N341 HydrophobicContact CE2-CB 4.36Å; A332-N341 PolarHBondContact O-ND2 3.49Å; G337-N341 WeakPolarHBondContact O-CB 3.38Å; C338-N341 PolarHBondContact O-N 3.49Å; K339-N341 PolarHBondContact O-N 3.16Å; N341-T343 PolarHBondContact O-N 2.87Å; N341-T343 PolarHBondContact OD1-N 3.24Å; N341-T344 PolarHBondContact ND2-OG1 2.84Å; N341-T344 PolarHBondContact O-N 3.08Å; N341-T344 PolarHBondContact OD1-N 2.86Å; N341-T344 PolarHBondContact OD1-OG1 3.05Å; N341-T344 VanDerWaalsContact OD1-OG1 3.07Å; N341-C345 PolarHBondContact O-N 3.4Å; N341-C345 PolarHBondContact O-SG 3.03Å; N341-C345 VanDerWaalsContact O-SG 3.39Å
342L97.6Very high96.6Very high85 Ų8542.3 Ų42.345%0.44521%0.211SC..Hα-helixtrans-65.4-32.1-178.8-175.865.2000111.3L132 I316 C345 F346L132-L342 HydrophobicContact CD2-CD2 3.75Å; I316-L342 HydrophobicContact CB-CB 4.25Å; I316-L342 HydrophobicContact CG2-CD2 4.49Å; I316-L342 PolarHBondContact O-N 2.93Å; L342-C345 PolarHBondContact O-N 3.49Å; L342-F346 WeakPolarHBondContact O-CB 3.11Å; L342-F346 PolarHBondContact O-N 2.91Å
343T98.4Very high96.7Very high0 Ų046.3 Ų46.30%023%0.232CC..Hα-helixtrans-60.6-47.2176.5-56.70000111.4T139 A140 R144 I316 N341 C345 F346 I347T139-T343 WeakPolarHBondContact CB-OG1 3.33Å; T139-T343 VanDerWaalsContact OG1-CG2 3.22Å; T139-T343 WeakPolarHBondContact OG1-CG2 3.14Å; T139-T343 PolarHBondContact OG1-OG1 3.23Å; A140-T343 HydrophobicContact CB-CG2 3.86Å; R144-T343 VanDerWaalsContact CZ-CG2 3.45Å; I316-T343 WeakPolarHBondContact CD1-OG1 3.47Å; I316-T343 PolarHBondContact O-N 3.02Å; I316-T343 PolarHBondContact O-OG1 3.39Å; I316-T343 VanDerWaalsContact O-OG1 3.11Å; N341-T343 PolarHBondContact O-N 2.87Å; N341-T343 PolarHBondContact OD1-N 3.24Å; T343-C345 VanDerWaalsContact C-N 3.35Å; T343-C345 PolarHBondContact O-N 3.48Å; T343-F346 WeakPolarHBondContact O-CB 3Å; T343-F346 PolarHBondContact O-N 3.29Å; T343-I347 HydrophobicContact CG2-CD1 4.08Å; T343-I347 WeakPolarHBondContact O-CG1 3.34Å; T343-I347 PolarHBondContact O-N 2.92Å
344T98.5Very high96.7Very high0 Ų049.1 Ų49.10%026%0.261CS..Hα-helixtrans-60.2-45.2175.3-59.20000111.2R144 Y331 A332 N341 F346 I347 D348R144-T344 PolarHBondContact NH1-OG1 2.84Å; Y331-T344 HydrophobicContact CE2-CG2 3.79Å; A332-T344 VanDerWaalsContact CA-OG1 3.3Å; A332-T344 WeakPolarHBondContact CA-OG1 2.84Å; A332-T344 HydrophobicContact CB-CG2 3.78Å; A332-T344 WeakPolarHBondContact CB-OG1 2.86Å; A332-T344 PolarHBondContact O-OG1 3.38Å; N341-T344 PolarHBondContact ND2-OG1 2.84Å; N341-T344 PolarHBondContact O-N 3.08Å; N341-T344 PolarHBondContact OD1-N 2.86Å; N341-T344 PolarHBondContact OD1-OG1 3.05Å; N341-T344 VanDerWaalsContact OD1-OG1 3.07Å; T344-F346 VanDerWaalsContact C-N 3.29Å; T344-F346 PolarHBondContact O-N 3.4Å; T344-I347 PolarHBondContact O-N 3.41Å; T344-I347 VanDerWaalsContact O-N 3.15Å; T344-D348 WeakPolarHBondContact O-CB 3.33Å; T344-D348 PolarHBondContact O-N 2.87Å
345C98.4Very high96.8Very high41 Ų4151.7 Ų51.728%0.27728%0.275SS..Hα-helixtrans-61.6-38.1177.8-59.20000113C338 N341 L342 T343 D348 F349C338-C345 WeakPolarHBondContact CA-SG 3.46Å; C338-C345 HydrophobicContact CB-CB 4.47Å; C338-C345 WeakPolarHBondContact CB-SG 3.47Å; C338-C345 WeakPolarHBondContact SG-CA 3.46Å; C338-C345 WeakPolarHBondContact SG-CB 3.34Å; C338-C345 CovalentContact SG-SG 2.04Å; C338-C345 PolarHBondContact SG-SG 2.93Å; N341-C345 PolarHBondContact O-N 3.4Å; N341-C345 PolarHBondContact O-SG 3.03Å; N341-C345 VanDerWaalsContact O-SG 3.39Å; L342-C345 PolarHBondContact O-N 3.49Å; T343-C345 VanDerWaalsContact C-N 3.35Å; T343-C345 PolarHBondContact O-N 3.48Å; C345-D348 PolarHBondContact O-N 2.64Å; C345-F349 WeakPolarHBondContact O-CB 3.46Å; C345-F349 PolarHBondContact O-N 2.91Å
346F98.7Very high97Very high32 Ų3249.9 Ų49.914%0.1427%0.267CS..Hα-helixtrans-62.3-48.1173.5170.4-96.2000111.2L136 A140 L157 F160 L161 L342 T343 T344 D348 F349 M350L136-F346 HydrophobicContact CD1-CD1 4.39Å; L136-F346 HydrophobicContact CD1-CD2 3.75Å; L136-F346 HydrophobicContact CD1-CE2 4.01Å; L136-F346 HydrophobicContact CD1-CG 3.96Å; L136-F346 HydrophobicContact CD1-CZ 4.44Å; L136-F346 HydrophobicContact CD2-CB 3.77Å; L136-F346 HydrophobicContact CD2-CD1 3.82Å; L136-F346 HydrophobicContact CD2-CD2 4.37Å; L136-F346 HydrophobicContact CD2-CG 3.71Å; L136-F346 HydrophobicContact CG-CG 4.47Å; A140-F346 HydrophobicContact CB-CD1 3.94Å; A140-F346 HydrophobicContact CB-CE1 4.08Å; L157-F346 HydrophobicContact CD1-CE1 4.04Å; L157-F346 HydrophobicContact CD1-CZ 3.8Å; F160-F346 HydrophobicContact CD1-CZ 4.06Å; F160-F346 HydrophobicContact CE1-CE2 4.03Å; F160-F346 AromaticContact CE1-CZ 3.62Å; F160-F346 HydrophobicContact CE1-CZ 3.62Å; L161-F346 HydrophobicContact CD2-CE1 4.09Å; L342-F346 WeakPolarHBondContact O-CB 3.11Å; L342-F346 PolarHBondContact O-N 2.91Å; T343-F346 WeakPolarHBondContact O-CB 3Å; T343-F346 PolarHBondContact O-N 3.29Å; T344-F346 VanDerWaalsContact C-N 3.29Å; T344-F346 PolarHBondContact O-N 3.4Å; F346-D348 VanDerWaalsContact C-N 3.32Å; F346-D348 PolarHBondContact O-N 2.93Å; F346-F349 PolarHBondContact O-N 2.94Å; F346-M350 HydrophobicContact CD1-CG 4.27Å; F346-M350 HydrophobicContact CD2-CE 4.28Å; F346-M350 HydrophobicContact CD2-CG 4.44Å; F346-M350 HydrophobicContact CE1-CG 3.79Å; F346-M350 HydrophobicContact CE2-CE 3.82Å; F346-M350 HydrophobicContact CE2-CG 3.98Å; F346-M350 HydrophobicContact CE2-SD 4.05Å; F346-M350 HydrophobicContact CZ-CE 4.31Å; F346-M350 HydrophobicContact CZ-CG 3.62Å; F346-M350 HydrophobicContact CZ-SD 3.94Å; F346-M350 WeakPolarHBondContact O-CG 3.41Å; F346-M350 PolarHBondContact O-N 3.47Å
347I98.8Very high97.3Very high0 Ų052.9 Ų52.90%028%0.282CS..Hα-helixtrans-62.1-41.8179-63.6165.6000110.6A140 Y151 Y331 T343 T344 F349 M350 C351 R359A140-I347 HydrophobicContact CB-CD1 4.22Å; A140-I347 HydrophobicContact CB-CG1 4.08Å; Y151-I347 HydrophobicContact CD1-CD1 4.33Å; Y151-I347 HydrophobicContact CD1-CG2 4.43Å; Y151-I347 HydrophobicContact CD2-CG2 4.19Å; Y151-I347 HydrophobicContact CE1-CD1 3.88Å; Y151-I347 HydrophobicContact CE1-CG1 4.31Å; Y151-I347 HydrophobicContact CE2-CG2 4.31Å; Y151-I347 HydrophobicContact CG-CG2 4.24Å; Y331-I347 HydrophobicContact CD2-CB 4.37Å; Y331-I347 HydrophobicContact CD2-CD1 4.34Å; Y331-I347 HydrophobicContact CD2-CG2 3.84Å; Y331-I347 HydrophobicContact CE2-CB 4.4Å; Y331-I347 HydrophobicContact CE2-CG2 4.09Å; T343-I347 HydrophobicContact CG2-CD1 4.08Å; T343-I347 WeakPolarHBondContact O-CG1 3.34Å; T343-I347 PolarHBondContact O-N 2.92Å; T344-I347 PolarHBondContact O-N 3.41Å; T344-I347 VanDerWaalsContact O-N 3.15Å; I347-F349 PolarHBondContact O-N 3.44Å; I347-M350 PolarHBondContact O-N 3.45Å; I347-C351 PolarHBondContact O-N 2.92Å; I347-R359 HydrophobicContact CG2-CG 4.22Å
348D98.6Very high97.6Very high41 Ų4156.2 Ų56.222%0.21930%0.296CS..Hα-helixtrans-62.6-42.4177.2-73.6-12.3000112.3Y331 T344 C345 F346 C351 F352 R359Y331-D348 WeakPolarHBondContact CE2-OD1 3.49Å; Y331-D348 PolarHBondContact OH-OD1 3.43Å; Y331-D348 PolarHBondContact OH-OD2 3.48Å; T344-D348 WeakPolarHBondContact O-CB 3.33Å; T344-D348 PolarHBondContact O-N 2.87Å; C345-D348 PolarHBondContact O-N 2.64Å; F346-D348 VanDerWaalsContact C-N 3.32Å; F346-D348 PolarHBondContact O-N 2.93Å; D348-C351 WeakPolarHBondContact O-CB 3.39Å; D348-C351 PolarHBondContact O-N 2.76Å; D348-F352 PolarHBondContact O-N 3.1Å; D348-R359 IonicContact OD1-CZ 2.7Å; D348-R359 IonicContact OD1-NH1 3.7Å; D348-R359 PolarHBondContact OD1-NH1 3.34Å
349F98.6Very high97.8Very high112 Ų11258.8 Ų58.849%0.49130%0.298SS..Hα-helixtrans-63.6-41.6173.4179.3-119.8000111.6C345 F346 I347 C351 F352 L353C345-F349 WeakPolarHBondContact O-CB 3.46Å; C345-F349 PolarHBondContact O-N 2.91Å; F346-F349 PolarHBondContact O-N 2.94Å; I347-F349 PolarHBondContact O-N 3.44Å; F349-C351 VanDerWaalsContact C-N 3.28Å; F349-C351 PolarHBondContact O-N 3.1Å; F349-F352 HydrophobicContact CD2-CD1 4.31Å; F349-F352 HydrophobicContact CE2-CD1 4.31Å; F349-F352 WeakPolarHBondContact O-CB 3.46Å; F349-F352 PolarHBondContact O-N 2.88Å; F349-L353 HydrophobicContact CD1-CD1 4.26Å; F349-L353 HydrophobicContact CE1-CD1 3.68Å; F349-L353 HydrophobicContact CE1-CG 4.4Å; F349-L353 HydrophobicContact CE2-CD1 4.3Å; F349-L353 HydrophobicContact CE2-CD2 4.24Å; F349-L353 HydrophobicContact CE2-CG 4.19Å; F349-L353 HydrophobicContact CZ-CD1 3.71Å; F349-L353 HydrophobicContact CZ-CD2 4.21Å; F349-L353 HydrophobicContact CZ-CG 4.09Å; F349-L353 WeakPolarHBondContact O-CG 3.36Å; F349-L353 PolarHBondContact O-N 3.27Å
350M98.8Very high98Very high17 Ų1758.9 Ų58.98%0.08430%0.299CS..Hα-helixtrans-64-33.5174-67.2-57.7104.100112.5L157 F346 I347 L353 G354 L355 A356L157-M350 HydrophobicContact CD1-CG 3.85Å; L157-M350 HydrophobicContact CD1-SD 3.9Å; L157-M350 HydrophobicContact CD2-CB 3.87Å; L157-M350 HydrophobicContact CD2-CG 3.95Å; F346-M350 HydrophobicContact CD1-CG 4.27Å; F346-M350 HydrophobicContact CD2-CE 4.28Å; F346-M350 HydrophobicContact CD2-CG 4.44Å; F346-M350 HydrophobicContact CE1-CG 3.79Å; F346-M350 HydrophobicContact CE2-CE 3.82Å; F346-M350 HydrophobicContact CE2-CG 3.98Å; F346-M350 HydrophobicContact CE2-SD 4.05Å; F346-M350 HydrophobicContact CZ-CE 4.31Å; F346-M350 HydrophobicContact CZ-CG 3.62Å; F346-M350 HydrophobicContact CZ-SD 3.94Å; F346-M350 WeakPolarHBondContact O-CG 3.41Å; F346-M350 PolarHBondContact O-N 3.47Å; I347-M350 PolarHBondContact O-N 3.45Å; M350-L353 HydrophobicContact CE-CD1 3.83Å; M350-L353 PolarHBondContact O-N 3Å; M350-L353 HydrophobicContact SD-CD1 4.49Å; M350-G354 PolarHBondContact O-N 3.31Å; M350-L355 HydrophobicContact CB-CB 4.38Å; M350-L355 WeakPolarHBondContact O-CA 3.5Å; M350-L355 PolarHBondContact O-N 3.27Å; M350-L355 HydrophobicContact SD-CB 4.45Å; M350-L355 HydrophobicContact SD-CD1 3.87Å; M350-A356 HydrophobicContact CB-CB 3.98Å; M350-A356 PolarHBondContact O-N 2.87Å
351C98.4Very high98.3Very high21 Ų2159.5 Ų59.514%0.14230%0.295CS..Hα-helixtrans-66.4-42.7171.8-83.90000112.2I347 D348 F349 L353 G354 A356 R359I347-C351 PolarHBondContact O-N 2.92Å; D348-C351 WeakPolarHBondContact O-CB 3.39Å; D348-C351 PolarHBondContact O-N 2.76Å; F349-C351 VanDerWaalsContact C-N 3.28Å; F349-C351 PolarHBondContact O-N 3.1Å; C351-L353 VanDerWaalsContact C-N 3.26Å; C351-L353 PolarHBondContact O-N 3.35Å; C351-G354 PolarHBondContact O-N 3.43Å; C351-A356 WeakPolarHBondContact CA-O 3.35Å; C351-A356 VanDerWaalsContact SG-CB 3.54Å; C351-A356 PolarHBondContact SG-O 3.31Å; C351-R359 WeakPolarHBondContact SG-CD 3.21Å; C351-R359 PolarHBondContact SG-NE 2.99Å
352F98.4Very high98.3Very high169 Ų16960 Ų6074%0.74130%0.298SS*.Hα-helixtrans-58.4-38.9173.8171.8-100.3000111.9D348 F349 G354D348-F352 PolarHBondContact O-N 3.1Å; F349-F352 HydrophobicContact CD2-CD1 4.31Å; F349-F352 HydrophobicContact CE2-CD1 4.31Å; F349-F352 WeakPolarHBondContact O-CB 3.46Å; F349-F352 PolarHBondContact O-N 2.88Å; F352-G354 PolarHBondContact O-N 3.33Å
353L98.4Very high98.3Very high85 Ų8558.3 Ų58.345%0.44529%0.294SS..THydrogen-bonded Turntrans-75.5-2174.5-62.8-179000114.4F349 M350 C351 L355F349-L353 HydrophobicContact CD1-CD1 4.26Å; F349-L353 HydrophobicContact CE1-CD1 3.68Å; F349-L353 HydrophobicContact CE1-CG 4.4Å; F349-L353 HydrophobicContact CE2-CD1 4.3Å; F349-L353 HydrophobicContact CE2-CD2 4.24Å; F349-L353 HydrophobicContact CE2-CG 4.19Å; F349-L353 HydrophobicContact CZ-CD1 3.71Å; F349-L353 HydrophobicContact CZ-CD2 4.21Å; F349-L353 HydrophobicContact CZ-CG 4.09Å; F349-L353 WeakPolarHBondContact O-CG 3.36Å; F349-L353 PolarHBondContact O-N 3.27Å; M350-L353 HydrophobicContact CE-CD1 3.83Å; M350-L353 PolarHBondContact O-N 3Å; M350-L353 HydrophobicContact SD-CD1 4.49Å; C351-L353 VanDerWaalsContact C-N 3.26Å; C351-L353 PolarHBondContact O-N 3.35Å; L353-L355 HydrophobicContact CB-CD1 4.26Å; L353-L355 HydrophobicContact CB-CG 4.16Å; L353-L355 HydrophobicContact CD1-CD1 4.29Å; L353-L355 PolarHBondContact O-N 3.15Å
354G98.4Very high98.2Very high61 Ų6167 Ų6763%0.62933%0.326SS*.THydrogen-bonded Turntrans71.710.4-175.500000114.7M350 C351 F352M350-G354 PolarHBondContact O-N 3.31Å; C351-G354 PolarHBondContact O-N 3.43Å; F352-G354 PolarHBondContact O-N 3.33Å
355L98.7Very high98.1Very high54 Ų5473 Ų7328%0.28335%0.354SS..SBendtrans-85.6-17.2179.3-65.3177.6000113.2S154 L157 M350 L353S154-L355 WeakPolarHBondContact CB-O 3.25Å; S154-L355 PolarHBondContact N-O 2.84Å; S154-L355 WeakPolarHBondContact OG-CA 3.3Å; S154-L355 WeakPolarHBondContact OG-CD2 3.43Å; S154-L355 PolarHBondContact OG-O 3.06Å; L157-L355 HydrophobicContact CB-CB 4.33Å; L157-L355 HydrophobicContact CD2-CB 4.34Å; M350-L355 HydrophobicContact CB-CB 4.38Å; M350-L355 WeakPolarHBondContact O-CA 3.5Å; M350-L355 PolarHBondContact O-N 3.27Å; M350-L355 HydrophobicContact SD-CB 4.45Å; M350-L355 HydrophobicContact SD-CD1 3.87Å; L353-L355 HydrophobicContact CB-CD1 4.26Å; L353-L355 HydrophobicContact CB-CG 4.16Å; L353-L355 HydrophobicContact CD1-CD1 4.29Å; L353-L355 PolarHBondContact O-N 3.15Å
356A98.7Very high98Very high7 Ų774.1 Ų74.16%0.05836%0.36CS..EExtended strand (participates in β ladder)trans-131.5153.9173.700000111.1Y151 K152 L157 M350 C351Y151-A356 HydrophobicContact CD2-CB 3.93Å; Y151-A356 HydrophobicContact CE2-CB 4.11Å; K152-A356 CarbonylContact O-C 3.49Å; K152-A356 VanDerWaalsContact O-CA 3.24Å; K152-A356 WeakPolarHBondContact O-CA 3.11Å; L157-A356 HydrophobicContact CD2-CB 3.89Å; M350-A356 HydrophobicContact CB-CB 3.98Å; M350-A356 PolarHBondContact O-N 2.87Å; C351-A356 WeakPolarHBondContact CA-O 3.35Å; C351-A356 VanDerWaalsContact SG-CB 3.54Å; C351-A356 PolarHBondContact SG-O 3.31Å
357K98.3Very high97.9Very high130 Ų13072.8 Ų72.857%0.56536%0.355SS*.EExtended strand (participates in β ladder)trans-153.7178.4177.765.9178.5-178.5178.20112K152 R359K152-K357 HydrophobicContact CB-CG 4.03Å; K152-K357 PolarHBondContact N-O 3.07Å; K152-K357 PolarHBondContact O-N 3.08Å; K357-R359 VanDerWaalsContact C-N 3.28Å; K357-R359 PolarHBondContact O-N 3.04Å
358D98Very high97.8Very high83 Ų8376.2 Ų76.244%0.44437%0.372SS..  trans54.739.1174.5-54.7-7.8000113.5K152 K360K152-D358 HydrophobicContact CD-CB 4.39Å; K152-D358 VanDerWaalsContact CD-OD2 3.23Å; K152-D358 WeakPolarHBondContact CD-OD2 3.46Å; K152-D358 VanDerWaalsContact CE-OD2 3.24Å; K152-D358 WeakPolarHBondContact CE-OD2 3.49Å; K152-D358 HydrophobicContact CG-CB 4.29Å; K152-D358 IonicContact NZ-OD2 3.27Å; K152-D358 PolarHBondContact NZ-OD2 2.8Å; D358-K360 PolarHBondContact O-N 2.87Å
359R97.9Very high97.8Very high110 Ų11077.6 Ų77.642%0.41539%0.386SS..  trans-62.4116.2174.9-68.4171.7-66178.3-0.3109.9Y331 I347 D348 C351 K357Y331-R359 HydrophobicContact CD1-CB 3.8Å; Y331-R359 HydrophobicContact CD1-CG 4.43Å; Y331-R359 HydrophobicContact CD2-CB 4.16Å; Y331-R359 HydrophobicContact CD2-CG 3.9Å; Y331-R359 HydrophobicContact CE1-CB 4.02Å; Y331-R359 HydrophobicContact CE2-CB 4.39Å; Y331-R359 HydrophobicContact CE2-CG 4.05Å; Y331-R359 HydrophobicContact CG-CB 3.86Å; Y331-R359 HydrophobicContact CG-CG 4.1Å; I347-R359 HydrophobicContact CG2-CG 4.22Å; D348-R359 IonicContact OD1-CZ 2.7Å; D348-R359 IonicContact OD1-NH1 3.7Å; D348-R359 PolarHBondContact OD1-NH1 3.34Å; C351-R359 WeakPolarHBondContact SG-CD 3.21Å; C351-R359 PolarHBondContact SG-NE 2.99Å; K357-R359 VanDerWaalsContact C-N 3.28Å; K357-R359 PolarHBondContact O-N 3.04Å
360K98.1Very high97.7Very high104 Ų10474.8 Ų74.845%0.45237%0.371SS..  trans-84.5124.2178.2-64.2178.9-1751670110.6R149 T150 Y329 Y331 D358R149-K360 WeakPolarHBondContact O-CE 3.32Å; R149-K360 PolarHBondContact O-NZ 2.87Å; T150-K360 WeakPolarHBondContact O-CB 3.47Å; T150-K360 WeakPolarHBondContact O-CG 3.43Å; T150-K360 PolarHBondContact O-N 3.41Å; Y329-K360 VanDerWaalsContact O-CB 3.3Å; Y329-K360 WeakPolarHBondContact O-CB 3.34Å; Y331-K360 VanDerWaalsContact CD1-O 3.31Å; Y331-K360 WeakPolarHBondContact CD1-O 3.37Å; Y331-K360 PolarHBondContact N-O 2.97Å; D358-K360 PolarHBondContact O-N 2.87Å
361R97.7Very high97.6Very high96 Ų9675.2 Ų75.236%0.36237%0.374SS..  trans-125134.5179.1-169.171.5177.9148-9.1110.2D330 S334 E335D330-R361 IonicContact OD1-CZ 3.77Å; D330-R361 IonicContact OD1-NH1 3.21Å; D330-R361 PolarHBondContact OD1-NH1 3.04Å; D330-R361 WeakPolarHBondContact OD2-CA 3.28Å; D330-R361 WeakPolarHBondContact OD2-CD 3.48Å; D330-R361 IonicContact OD2-CZ 2.74Å; D330-R361 IonicContact OD2-NE 3.52Å; D330-R361 IonicContact OD2-NH1 2.73Å; D330-R361 PolarHBondContact OD2-NH1 3.34Å; S334-R361 PolarHBondContact O-NH1 2.6Å; S334-R361 PolarHBondContact O-NH2 2.93Å; E335-R361 PolarHBondContact O-NH2 2.89Å
362V97.2Very high97.5Very high11 Ų1182.1 Ų82.17%0.06740%0.404CS..  trans-70.8135.3173.6-174.40000108.7F327 Y329 D330 V366 V367F327-V362 HydrophobicContact CB-CG2 3.58Å; F327-V362 HydrophobicContact CD1-CG1 3.97Å; F327-V362 HydrophobicContact CD1-CG2 3.92Å; F327-V362 HydrophobicContact CD2-CG2 4.48Å; F327-V362 HydrophobicContact CE1-CG1 4.02Å; F327-V362 HydrophobicContact CG-CG1 4.36Å; F327-V362 HydrophobicContact CG-CG2 3.75Å; F327-V362 HydrophobicContact CZ-CG1 4.44Å; Y329-V362 HydrophobicContact CD2-CG2 4.23Å; Y329-V362 HydrophobicContact CE2-CG2 3.53Å; D330-V362 HydrophobicContact CB-CG2 3.78Å; D330-V362 WeakPolarHBondContact OD2-CG2 3.48Å; D330-V362 PolarHBondContact OD2-N 2.9Å; V362-V366 HydrophobicContact CG1-CB 3.83Å; V362-V366 HydrophobicContact CG1-CG1 3.66Å; V362-V367 HydrophobicContact CB-CG2 4.12Å; V362-V367 HydrophobicContact CG1-CG2 3.68Å
363S96.9Very high97.5Very high50 Ų5082.3 Ų82.335%0.3540%0.4SS..  trans-67.7151.6177.696.90000111E365 V366 V367S363-E365 WeakPolarHBondContact CB-OE2 3.28Å; S363-E365 PolarHBondContact O-N 2.92Å; S363-E365 PolarHBondContact OG-N 3.43Å; S363-E365 PolarHBondContact OG-OE2 2.91Å; S363-V366 PolarHBondContact O-N 3.31Å; S363-V366 PolarHBondContact OG-N 3.01Å; S363-V367 PolarHBondContact O-N 3.2Å; S363-V367 VanDerWaalsContact O-N 3.13Å
364R95.9Very high97.4Very high182 Ų18278.9 Ų78.969%0.68738%0.382SS*.Hα-helixtrans-61.1-36.9-179.4-173.6178.9-179.3-167.7-0.3111.6V367 L368R364-V367 PolarHBondContact O-N 3.31Å; R364-L368 HydrophobicContact CG-CD1 4.07Å; R364-L368 HydrophobicContact CG-CG 4.38Å; R364-L368 VanDerWaalsContact O-CG 3.32Å; R364-L368 WeakPolarHBondContact O-CG 3.41Å; R364-L368 PolarHBondContact O-N 3.28Å
365E96.9Very high97.2Very high126 Ų12676.7 Ų76.759%0.58936%0.36SS*.Hα-helixtrans-61.4-47178.7-56.672.5-153.300110.5S363 V367 L368 S369S363-E365 WeakPolarHBondContact CB-OE2 3.28Å; S363-E365 PolarHBondContact O-N 2.92Å; S363-E365 PolarHBondContact OG-N 3.43Å; S363-E365 PolarHBondContact OG-OE2 2.91Å; E365-V367 PolarHBondContact O-N 3.1Å; E365-L368 PolarHBondContact O-N 3.22Å; E365-S369 WeakPolarHBondContact O-CB 3.34Å; E365-S369 PolarHBondContact O-N 3.37Å; E365-S369 PolarHBondContact O-OG 3.39Å; E365-S369 VanDerWaalsContact O-OG 3.12Å
366V97.1Very high96.9Very high66 Ų6677.1 Ų77.140%0.436%0.36SS..Hα-helixtrans-62.2-42.7178172.90000111.4F327 V362 S363 R370F327-V366 HydrophobicContact CE1-CG1 3.93Å; V362-V366 HydrophobicContact CG1-CB 3.83Å; V362-V366 HydrophobicContact CG1-CG1 3.66Å; S363-V366 PolarHBondContact O-N 3.31Å; S363-V366 PolarHBondContact OG-N 3.01Å; V366-R370 WeakPolarHBondContact O-CB 3.37Å; V366-R370 PolarHBondContact O-N 2.97Å
367V97.2Very high96.5Very high4 Ų480.2 Ų80.22%0.02439%0.393CS..Hα-helixtrans-60.4-49.8176.2175.40000110.7Y299 Y323 F327 E335 V362 S363 R364 E365 S369 R370 I371Y299-V367 HydrophobicContact CD1-CG1 4.14Å; Y299-V367 HydrophobicContact CE1-CG1 3.84Å; Y323-V367 HydrophobicContact CE2-CG1 4.33Å; Y323-V367 HydrophobicContact CE2-CG2 3.94Å; F327-V367 HydrophobicContact CE2-CG2 4.19Å; F327-V367 HydrophobicContact CZ-CG2 4.32Å; E335-V367 HydrophobicContact CG-CG1 4.37Å; V362-V367 HydrophobicContact CB-CG2 4.12Å; V362-V367 HydrophobicContact CG1-CG2 3.68Å; S363-V367 PolarHBondContact O-N 3.2Å; S363-V367 VanDerWaalsContact O-N 3.13Å; R364-V367 PolarHBondContact O-N 3.31Å; E365-V367 PolarHBondContact O-N 3.1Å; V367-S369 PolarHBondContact O-N 3.28Å; V367-R370 PolarHBondContact O-N 2.89Å; V367-I371 HydrophobicContact CG1-CD1 3.77Å; V367-I371 HydrophobicContact CG1-CG1 4.48Å; V367-I371 WeakPolarHBondContact O-CG1 3.31Å; V367-I371 PolarHBondContact O-N 2.93Å
368L96.4Very high96.1Very high71 Ų7175.7 Ų75.737%0.37238%0.378SS..Hα-helixtrans-63.3-43.1-179.5-70.2174.7000112.3R364 E365 R370 I371 Q372R364-L368 HydrophobicContact CG-CD1 4.07Å; R364-L368 HydrophobicContact CG-CG 4.38Å; R364-L368 VanDerWaalsContact O-CG 3.32Å; R364-L368 WeakPolarHBondContact O-CG 3.41Å; R364-L368 PolarHBondContact O-N 3.28Å; E365-L368 PolarHBondContact O-N 3.22Å; L368-R370 VanDerWaalsContact C-N 3.29Å; L368-R370 PolarHBondContact O-N 3.27Å; L368-I371 HydrophobicContact CD2-CD1 4.43Å; L368-I371 PolarHBondContact O-N 3.04Å; L368-Q372 WeakPolarHBondContact O-CG 3.48Å; L368-Q372 PolarHBondContact O-N 2.84Å
369S97Very high95.6Very high71 Ų7174.1 Ų74.150%0.49737%0.368SS..Hα-helixtrans-61.9-37.3175.2-64.50000112E365 V367 R373E365-S369 WeakPolarHBondContact O-CB 3.34Å; E365-S369 PolarHBondContact O-N 3.37Å; E365-S369 PolarHBondContact O-OG 3.39Å; E365-S369 VanDerWaalsContact O-OG 3.12Å; V367-S369 PolarHBondContact O-N 3.28Å; S369-R373 WeakPolarHBondContact O-CB 3.2Å; S369-R373 PolarHBondContact O-N 3.48Å
370R97.2Very high94.4Very high52 Ų5278.7 Ų78.720%0.19639%0.385CS..Hα-helixtrans-68.3-43.5176.5-171.355.9174.9-113.94.9112D300 T326 F327 V366 V367 L368 Q372 R373 T374D300-R370 IonicContact OD2-CZ 3.69Å; D300-R370 IonicContact OD2-NE 3.35Å; D300-R370 IonicContact OD2-NH2 2.73Å; D300-R370 PolarHBondContact OD2-NH2 3.35Å; T326-R370 HydrophobicContact CG2-CG 3.56Å; F327-R370 HydrophobicContact CE1-CB 4.35Å; F327-R370 HydrophobicContact CE1-CG 4.37Å; F327-R370 HydrophobicContact CZ-CB 3.69Å; F327-R370 HydrophobicContact CZ-CG 3.79Å; V366-R370 WeakPolarHBondContact O-CB 3.37Å; V366-R370 PolarHBondContact O-N 2.97Å; V367-R370 PolarHBondContact O-N 2.89Å; L368-R370 VanDerWaalsContact C-N 3.29Å; L368-R370 PolarHBondContact O-N 3.27Å; R370-Q372 VanDerWaalsContact C-N 3.33Å; R370-Q372 PolarHBondContact O-N 3.21Å; R370-R373 PolarHBondContact O-N 3Å; R370-T374 VanDerWaalsContact CD-OG1 3.24Å; R370-T374 WeakPolarHBondContact CD-OG1 3.33Å; R370-T374 PolarHBondContact NE-OG1 3.1Å; R370-T374 PolarHBondContact O-N 3.42Å; R370-T374 PolarHBondContact O-OG1 3.03Å; R370-T374 VanDerWaalsContact O-OG1 3.11Å
371I97.1Very high92.4Very high26 Ų2679.7 Ų79.713%0.13341%0.405CS..Hα-helixtrans-57.1-47.1174.9-66.7160.3000110.6Y299 V367 L368 R373 G375 H379Y299-I371 HydrophobicContact CD1-CD1 4.03Å; Y299-I371 HydrophobicContact CD1-CG1 3.68Å; Y299-I371 HydrophobicContact CE1-CD1 3.96Å; Y299-I371 HydrophobicContact CE1-CG1 4.12Å; V367-I371 HydrophobicContact CG1-CD1 3.77Å; V367-I371 HydrophobicContact CG1-CG1 4.48Å; V367-I371 WeakPolarHBondContact O-CG1 3.31Å; V367-I371 PolarHBondContact O-N 2.93Å; L368-I371 HydrophobicContact CD2-CD1 4.43Å; L368-I371 PolarHBondContact O-N 3.04Å; I371-R373 VanDerWaalsContact C-N 3.3Å; I371-R373 PolarHBondContact O-N 3.05Å; I371-G375 VanDerWaalsContact O-CA 3.27Å; I371-G375 WeakPolarHBondContact O-CA 3.47Å; I371-G375 PolarHBondContact O-N 3.27Å; I371-H379 HydrophobicContact CD1-CB 4.46Å; I371-H379 WeakPolarHBondContact CD1-CD2 3.38Å; I371-H379 WeakPolarHBondContact CD1-NE2 3.34Å; I371-H379 HydrophobicContact CG2-CB 4.03Å
372Q96.7Very high90Very high166 Ų16679.1 Ų79.178%0.77643%0.43SS*.Hα-helixtrans-63.3-36.2178.7-72.3175-2.600112.7L368 R370L368-Q372 WeakPolarHBondContact O-CG 3.48Å; L368-Q372 PolarHBondContact O-N 2.84Å; R370-Q372 VanDerWaalsContact C-N 3.33Å; R370-Q372 PolarHBondContact O-N 3.21Å
373R97.1Very high89.6Confident173 Ų17382.6 Ų82.665%0.65345%0.448SS*.Hα-helixtrans-79.9-40.8-176.2-169.2178.664.2128.21.9113.3S369 R370 I371S369-R373 WeakPolarHBondContact O-CB 3.2Å; S369-R373 PolarHBondContact O-N 3.48Å; R370-R373 PolarHBondContact O-N 3Å; I371-R373 VanDerWaalsContact C-N 3.3Å; I371-R373 PolarHBondContact O-N 3.05Å
374T97.4Very high89.2Confident13 Ų1384.3 Ų84.38%0.0845%0.453CS..Hα-helixtrans-135.6-3.5-169.152.70000115Y299 D300 Q301 R370Y299-T374 CarbonylContact O-C 3.15Å; Y299-T374 PolarHBondContact O-OG1 3.42Å; D300-T374 WeakPolarHBondContact CA-O 3.27Å; Q301-T374 VanDerWaalsContact CG-O 3.32Å; Q301-T374 WeakPolarHBondContact CG-O 3.14Å; Q301-T374 PolarHBondContact N-O 3.13Å; R370-T374 VanDerWaalsContact CD-OG1 3.24Å; R370-T374 WeakPolarHBondContact CD-OG1 3.33Å; R370-T374 PolarHBondContact NE-OG1 3.1Å; R370-T374 PolarHBondContact O-N 3.42Å; R370-T374 PolarHBondContact O-OG1 3.03Å; R370-T374 VanDerWaalsContact O-OG1 3.11Å
375G94.6Very high88.9Confident15 Ų1578.8 Ų78.816%0.15544%0.44CS..  trans-68.2149.7-179.500000112.8P298 Y299 Q301 I371 G377P298-G375 VanDerWaalsContact O-CA 3.24Å; P298-G375 WeakPolarHBondContact O-CA 3.42Å; Y299-G375 PolarHBondContact O-N 3.46Å; Q301-G375 PolarHBondContact NE2-O 3.29Å; I371-G375 VanDerWaalsContact O-CA 3.27Å; I371-G375 WeakPolarHBondContact O-CA 3.47Å; I371-G375 PolarHBondContact O-N 3.27Å; G375-G377 PolarHBondContact O-N 3Å
376E92.5Very high88.4Confident63 Ų6376.1 Ų76.129%0.29443%0.431SS..  trans-82.26.7178.276.7-175.7-17400114N296 R297 Q301 R306 S378N296-E376 WeakPolarHBondContact CA-OE1 3.19Å; N296-E376 WeakPolarHBondContact CB-OE1 3.25Å; R297-E376 HydrophobicContact CB-CG 4.41Å; R297-E376 WeakPolarHBondContact CB-OE2 3.46Å; R297-E376 IonicContact CZ-OE2 3.78Å; R297-E376 PolarHBondContact N-OE1 3.02Å; R297-E376 PolarHBondContact N-OE2 3.05Å; R297-E376 IonicContact NE-OE2 3.9Å; R297-E376 PolarHBondContact NE-OE2 3.25Å; R297-E376 IonicContact NH2-OE2 2.65Å; R297-E376 VanDerWaalsContact O-CG 3.29Å; R297-E376 WeakPolarHBondContact O-CG 3.47Å; R297-E376 PolarHBondContact O-N 3.1Å; Q301-E376 HydrophobicContact CB-CB 3.81Å; R306-E376 IonicContact NH1-OE2 3.78Å; E376-S378 VanDerWaalsContact CG-OG 3.24Å; E376-S378 WeakPolarHBondContact CG-OG 3.49Å; E376-S378 WeakPolarHBondContact OE1-CB 3.46Å; E376-S378 PolarHBondContact OE1-OG 3.15Å
377G90.1Very high87.8Confident73 Ų7376.7 Ų76.775%0.75343%0.433SS*.SBendtrans81.19.2-178.200000115.6G375G375-G377 PolarHBondContact O-N 3Å
378S88.7Confident87.2Confident35 Ų3581.5 Ų81.525%0.24546%0.461CS..  trans-94.24179.165.10000114.7N296 E376 R380N296-S378 WeakPolarHBondContact CB-OG 3.25Å; N296-S378 PolarHBondContact ND2-OG 2.85Å; E376-S378 VanDerWaalsContact CG-OG 3.24Å; E376-S378 WeakPolarHBondContact CG-OG 3.49Å; E376-S378 WeakPolarHBondContact OE1-CB 3.46Å; E376-S378 PolarHBondContact OE1-OG 3.15Å; S378-R380 PolarHBondContact O-N 3.43Å
379H88.8Confident86.6Confident50 Ų5082.3 Ų82.323%0.23147%0.467CS..  trans-63.4132.1177.5-173.7-90.7000110.3P298 Y299 E335 I371P298-H379 HydrophobicContact CB-CB 3.81Å; Y299-H379 AromaticContact CE1-CD2 3.96Å; E335-H379 IonicContact OE1-CE1 2.75Å; E335-H379 IonicContact OE1-NE2 3.58Å; E335-H379 PolarHBondContact OE1-NE2 3.43Å; E335-H379 IonicContact OE2-CD2 3.32Å; E335-H379 IonicContact OE2-CE1 3.68Å; E335-H379 IonicContact OE2-NE2 3.85Å; E335-H379 PolarHBondContact OE2-NE2 2.87Å; I371-H379 HydrophobicContact CD1-CB 4.46Å; I371-H379 WeakPolarHBondContact CD1-CD2 3.38Å; I371-H379 WeakPolarHBondContact CD1-NE2 3.34Å; I371-H379 HydrophobicContact CG2-CB 4.03Å
380R72.3Confident85.7Confident205 Ų20583.2 Ų83.277%0.77447%0.465SS*.  trans-112.8128.9175.6-64-172.1-178.4-168.6-0.6108.9Y336 S378 G382Y336-R380 PolarHBondContact OH-O 3.33Å; S378-R380 PolarHBondContact O-N 3.43Å; R380-G382 PolarHBondContact O-N 3.31Å; R380-G382 VanDerWaalsContact O-N 3.09Å
381S55.5Low84.8Confident125 Ų12585.8 Ų85.887%0.87449%0.487SS*.  trans-72.392.3166.141.60000109.1
382G46.8Very low83.7Confident85 Ų8591.2 Ų91.288%0.87652%0.519SS*.  trans1710175.400000117K339 R380K339-G382 PolarHBondContact NZ-O 2.96Å; K339-G382 PolarHBondContact NZ-OXT 2.88Å; R380-G382 PolarHBondContact O-N 3.31Å; R380-G382 VanDerWaalsContact O-N 3.09Å

Retrieved 382 of 382 residues in 85.3 ms (Link to these results)

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