A0A077Z8P0_TRITR Loading...

Trehalase

AlphaFold DB , UniProt , Accession A0A077Z8P0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,052 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
1M32.3Very low42.8Very low239 Ų239130.4 Ų130.4100%1.17774%0.74SS**  076.90-74.6-170.2-161.600106
2D29.1Very low46.2Very low170 Ų170122.8 Ų122.891%0.90970%0.696SS**  trans-115.1115-178.1-67-53.4000107.9
3G27.9Very low49.3Very low74 Ų74116.1 Ų116.176%0.76366%0.661SS**  trans157.847.6-179.500000114.8
4K29.5Very low52.2Low201 Ų201109.4 Ų109.487%0.87462%0.623SS**  trans-150.193.7157.9-78.2-162.4178.9176.70110.7
5L29Very low55Low143 Ų143102.1 Ų102.175%0.74958%0.581SS**  trans164.699131.5-90149.3000107.8R7L5-R7 HydrophobicContact CB-CG 4.19Å; L5-R7 PolarHBondContact O-N 2.83Å
6A29.2Very low57.4Low107 Ų10795.8 Ų95.888%0.88455%0.545SS*.  trans-59.993.8150.400000106.1S8A6-S8 PolarHBondContact O-N 3.07Å
7R37.2Very low59.5Low185 Ų18590.9 Ų90.970%0.69852%0.518SS*.  trans-72.4128.1175.6-80.6-172.4178.3179.5-0.8108.1L5L5-R7 HydrophobicContact CB-CG 4.19Å; L5-R7 PolarHBondContact O-N 2.83Å
8S43.9Very low61.2Low102 Ų10289.9 Ų89.971%0.71351%0.508SS*.  trans-39.6150.5158.849.50000111.3A6 I10A6-S8 PolarHBondContact O-N 3.07Å; S8-I10 PolarHBondContact O-N 3.29Å
9S60Low62.9Low109 Ų10986.5 Ų86.576%0.76250%0.495SS*.  trans-38.3126.6178.855.70000112.8S11S9-S11 PolarHBondContact O-N 3.21Å
10I69.7Low64.4Low64 Ų6484.8 Ų84.833%0.32849%0.487SS..  trans-51.4123.2175.3-64.4168000109.1S8 D14 P46 L50S8-I10 PolarHBondContact O-N 3.29Å; I10-D14 HydrophobicContact CG2-CB 4.27Å; I10-P46 HydrophobicContact CG2-CB 4.41Å; I10-L50 HydrophobicContact CD1-CD2 4.22Å; I10-L50 HydrophobicContact CG1-CD2 4.3Å; I10-L50 HydrophobicContact CG2-CB 4.21Å; I10-L50 HydrophobicContact CG2-CD2 3.68Å
11S83.4Confident65.9Low40 Ų4080.8 Ų80.828%0.2846%0.464SS..  trans-104.1169.9-179.666.40000111.8S9 S13 D14S9-S11 PolarHBondContact O-N 3.21Å; S11-S13 PolarHBondContact O-N 2.65Å; S11-S13 PolarHBondContact OG-N 3.27Å; S11-D14 PolarHBondContact N-OD2 3.27Å; S11-D14 WeakPolarHBondContact O-CB 3.18Å; S11-D14 PolarHBondContact O-N 3.36Å; S11-D14 PolarHBondContact OG-N 3.2Å; S11-D14 PolarHBondContact OG-OD2 3.12Å
12D83.1Confident68.9Low40 Ų4069.4 Ų69.421%0.21441%0.408CS..THydrogen-bonded Turntrans-57.4-34.8166.551.20.6000112.6D14 V15 F16 P46 N130 I195D12-D14 VanDerWaalsContact C-N 3.26Å; D12-D14 PolarHBondContact O-N 3.34Å; D12-V15 PolarHBondContact O-N 3.24Å; D12-F16 HydrophobicContact CB-CD2 4.27Å; D12-F16 WeakPolarHBondContact O-CD2 3.4Å; D12-F16 PolarHBondContact O-N 3.42Å; D12-P46 HydrophobicContact CB-CG 4.23Å; D12-N130 WeakPolarHBondContact CB-O 3.34Å; D12-I195 HydrophobicContact CB-CD1 4.18Å
13S87Confident72Confident35 Ų3565.7 Ų65.725%0.24539%0.385CS..Hα-helixtrans-63.1-29.3177.1-63.50000113.1S11 V15 C17 H18S11-S13 PolarHBondContact O-N 2.65Å; S11-S13 PolarHBondContact OG-N 3.27Å; S13-V15 PolarHBondContact O-N 2.93Å; S13-C17 WeakPolarHBondContact O-CA 3.37Å; S13-C17 WeakPolarHBondContact O-CB 3.47Å; S13-C17 PolarHBondContact O-N 3.32Å; S13-H18 PolarHBondContact O-N 2.88Å; S13-H18 PolarHBondContact O-ND1 3.46Å
14D90Very high75.2Confident23 Ų2363.3 Ų63.312%0.12336%0.358CS..Hα-helixtrans-71.6-7.2174.6-65.9-76.2000113.6I10 S11 D12 H18 L50I10-D14 HydrophobicContact CG2-CB 4.27Å; S11-D14 PolarHBondContact N-OD2 3.27Å; S11-D14 WeakPolarHBondContact O-CB 3.18Å; S11-D14 PolarHBondContact O-N 3.36Å; S11-D14 PolarHBondContact OG-N 3.2Å; S11-D14 PolarHBondContact OG-OD2 3.12Å; D12-D14 VanDerWaalsContact C-N 3.26Å; D12-D14 PolarHBondContact O-N 3.34Å; D14-H18 CarbonylContact C-O 3.57Å; D14-H18 VanDerWaalsContact CA-O 3.3Å; D14-H18 WeakPolarHBondContact CA-O 3.42Å; D14-H18 IonicContact OD1-NE2 3.64Å; D14-L50 HydrophobicContact CB-CD2 4.02Å
15V93.2Very high78.3Confident0 Ų053.8 Ų53.80%032%0.317CS..Hα-helixtrans-108.2-50.3175.3175.60000110.7D12 S13 L21 L42 P46 L50 F73D12-V15 PolarHBondContact O-N 3.24Å; S13-V15 PolarHBondContact O-N 2.93Å; V15-L21 HydrophobicContact CG1-CD2 4.11Å; V15-L42 HydrophobicContact CG1-CD1 4.4Å; V15-L42 HydrophobicContact CG1-CD2 4.21Å; V15-P46 HydrophobicContact CG2-CB 4.18Å; V15-L50 HydrophobicContact CG2-CB 4.5Å; V15-F73 HydrophobicContact CG1-CE1 4.33Å; V15-F73 HydrophobicContact CG1-CZ 4.14Å
16F94Very high81.4Confident0 Ų047.3 Ų47.30%028%0.283CS..Hα-helixtrans-95.6-31.6-169.6-60.7-65.4000114.1D12 M40 L42 F73 I195 S267D12-F16 HydrophobicContact CB-CD2 4.27Å; D12-F16 WeakPolarHBondContact O-CD2 3.4Å; D12-F16 PolarHBondContact O-N 3.42Å; F16-M40 VanDerWaalsContact CE1-O 3.27Å; F16-M40 WeakPolarHBondContact CE1-O 3.3Å; F16-L42 HydrophobicContact CE2-CD1 3.97Å; F16-L42 HydrophobicContact CE2-CG 4.3Å; F16-L42 HydrophobicContact CZ-CD1 3.93Å; F16-L42 HydrophobicContact CZ-CG 3.74Å; F16-F73 HydrophobicContact CE1-CE1 4.31Å; F16-I195 HydrophobicContact CB-CD1 4.14Å; F16-I195 HydrophobicContact CD2-CD1 4.06Å; F16-S267 VanDerWaalsContact O-CB 3.26Å; F16-S267 WeakPolarHBondContact O-CB 3.41Å; F16-S267 PolarHBondContact O-OG 2.88Å
17C92.6Very high84.4Confident14 Ų1447 Ų4710%0.09527%0.266CS..THydrogen-bonded Turntrans-98.3-39.7-173-59.20000112S13 Q264 S267S13-C17 WeakPolarHBondContact O-CA 3.37Å; S13-C17 WeakPolarHBondContact O-CB 3.47Å; S13-C17 PolarHBondContact O-N 3.32Å; C17-Q264 PolarHBondContact O-NE2 3.14Å; C17-S267 WeakPolarHBondContact CA-OG 3.26Å; C17-S267 PolarHBondContact O-OG 3.28Å
18H90.9Very high87.1Confident72 Ų7240 Ų4033%0.33325%0.246SC..SBendtrans-155.5168.2-179.250.5-88.4000110.2S13 D14S13-H18 PolarHBondContact O-N 2.88Å; S13-H18 PolarHBondContact O-ND1 3.46Å; D14-H18 CarbonylContact C-O 3.57Å; D14-H18 VanDerWaalsContact CA-O 3.3Å; D14-H18 WeakPolarHBondContact CA-O 3.42Å; D14-H18 IonicContact OD1-NE2 3.64Å
19G92.4Very high89.2Confident25 Ų2537.5 Ų37.526%0.25824%0.236SC..SBendtrans118.3171.3172.800000113.7L21 L22 E23G19-L21 VanDerWaalsContact C-N 3.3Å; G19-L21 PolarHBondContact O-N 3.03Å; G19-L22 PolarHBondContact O-N 3.35Å; G19-E23 PolarHBondContact O-N 3.13Å
20P93.3Very high90.7Very high53 Ų5334.7 Ų34.734%0.34421%0.211SC..Hα-helixtrans-72-23.9-168.530.5-37.1000113.1A24 L50 F53 L54P20-A24 VanDerWaalsContact O-CB 3.29Å; P20-A24 WeakPolarHBondContact O-CB 3.48Å; P20-A24 PolarHBondContact O-N 3.12Å; P20-L50 HydrophobicContact CG-CD1 4.45Å; P20-F53 HydrophobicContact CB-CE1 4.01Å; P20-F53 HydrophobicContact CG-CE1 4.19Å; P20-L54 HydrophobicContact CG-CD2 4.29Å
21L95.4Very high91.8Very high0 Ų033.5 Ų33.50%020%0.203CC..Hα-helixtrans-70.9-49.1176.4174.355000111V15 G19 E23 A24 V25 F37 T49 L50 F53 F68 F73V15-L21 HydrophobicContact CG1-CD2 4.11Å; G19-L21 VanDerWaalsContact C-N 3.3Å; G19-L21 PolarHBondContact O-N 3.03Å; L21-E23 VanDerWaalsContact C-N 3.34Å; L21-E23 PolarHBondContact O-N 3.38Å; L21-A24 PolarHBondContact O-N 3.32Å; L21-V25 HydrophobicContact CD1-CG2 3.88Å; L21-V25 WeakPolarHBondContact O-CG2 3.24Å; L21-V25 PolarHBondContact O-N 3.2Å; L21-F37 HydrophobicContact CD1-CZ 4.4Å; L21-F37 HydrophobicContact CG-CZ 4.14Å; L21-T49 HydrophobicContact CD2-CG2 4.14Å; L21-L50 HydrophobicContact CB-CD1 3.96Å; L21-F53 HydrophobicContact CB-CD1 3.78Å; L21-F53 HydrophobicContact CB-CD2 4.47Å; L21-F53 HydrophobicContact CB-CE1 3.96Å; L21-F53 HydrophobicContact CB-CG 4.04Å; L21-F53 HydrophobicContact CB-CZ 4.37Å; L21-F53 HydrophobicContact CD1-CB 4.41Å; L21-F53 HydrophobicContact CD1-CD1 4.38Å; L21-F53 HydrophobicContact CD1-CD2 3.52Å; L21-F53 HydrophobicContact CD1-CE2 3.78Å; L21-F53 HydrophobicContact CD1-CG 3.84Å; L21-F53 HydrophobicContact CD1-CZ 4.31Å; L21-F53 HydrophobicContact CD2-CB 4.46Å; L21-F53 HydrophobicContact CG-CD2 4.48Å; L21-F53 HydrophobicContact CG-CG 4.35Å; L21-F68 HydrophobicContact CD1-CD1 4.18Å; L21-F68 HydrophobicContact CD1-CE1 3.78Å; L21-F68 HydrophobicContact CD2-CE1 4.15Å; L21-F73 HydrophobicContact CD2-CE2 4.31Å; L21-F73 HydrophobicContact CD2-CZ 4Å
22L95.2Very high92.1Very high0 Ų040.2 Ų40.20%023%0.23CC..Hα-helixtrans-54.7-51.1174.2178.865000111G19 A24 V25 Q26 F37 V38 Y270G19-L22 PolarHBondContact O-N 3.35Å; L22-A24 PolarHBondContact O-N 3.44Å; L22-V25 PolarHBondContact O-N 3.35Å; L22-Q26 HydrophobicContact CD1-CG 3.73Å; L22-Q26 HydrophobicContact CG-CG 4.21Å; L22-Q26 WeakPolarHBondContact O-CB 3.39Å; L22-Q26 WeakPolarHBondContact O-CG 3.39Å; L22-Q26 PolarHBondContact O-N 3.12Å; L22-F37 HydrophobicContact CD1-CD1 3.89Å; L22-F37 HydrophobicContact CD1-CE1 4.06Å; L22-V38 HydrophobicContact CD1-CG1 3.58Å; L22-Y270 HydrophobicContact CD2-CD2 4.08Å; L22-Y270 HydrophobicContact CD2-CE2 4.25Å; L22-Y270 HydrophobicContact CG-CD2 4.38Å
23E94.2Very high92.4Very high92 Ų9240.7 Ų40.743%0.4323%0.233SC..Hα-helixtrans-59.4-47.1-179.2-177.4173.5-161.700111.9G19 L21 V25 L27 Y270G19-E23 PolarHBondContact O-N 3.13Å; L21-E23 VanDerWaalsContact C-N 3.34Å; L21-E23 PolarHBondContact O-N 3.38Å; E23-V25 PolarHBondContact O-N 3.3Å; E23-L27 HydrophobicContact CG-CD1 3.66Å; E23-L27 HydrophobicContact CG-CG 4.3Å; E23-L27 VanDerWaalsContact O-CB 3.27Å; E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.32Å; E23-L27 PolarHBondContact O-N 2.99Å; E23-Y270 HydrophobicContact CB-CE1 4.36Å; E23-Y270 HydrophobicContact CG-CE1 4.22Å
24A95.1Very high92.7Very high24 Ų2439 Ų3920%0.19822%0.222CC..Hα-helixtrans-62.1-44.9179.900000112.3P20 L21 L22 S28 F53 L65P20-A24 VanDerWaalsContact O-CB 3.29Å; P20-A24 WeakPolarHBondContact O-CB 3.48Å; P20-A24 PolarHBondContact O-N 3.12Å; L21-A24 PolarHBondContact O-N 3.32Å; L22-A24 PolarHBondContact O-N 3.44Å; A24-S28 WeakPolarHBondContact O-CB 3.43Å; A24-S28 PolarHBondContact O-N 3.32Å; A24-S28 VanDerWaalsContact O-N 3.1Å; A24-F53 HydrophobicContact CB-CE2 4.16Å; A24-F53 HydrophobicContact CB-CZ 3.69Å; A24-L65 HydrophobicContact CB-CD1 4.1Å; A24-L65 HydrophobicContact CB-CD2 4.41Å; A24-L65 WeakPolarHBondContact O-CD2 3.46Å
25V95.2Very high93Very high2 Ų238 Ų381%0.01222%0.216CC..Hα-helixtrans-68.1-47.2-179.1178.80000111.2L21 L22 E23 L27 S28 F31 F37 L65 V69L21-V25 HydrophobicContact CD1-CG2 3.88Å; L21-V25 WeakPolarHBondContact O-CG2 3.24Å; L21-V25 PolarHBondContact O-N 3.2Å; L22-V25 PolarHBondContact O-N 3.35Å; E23-V25 PolarHBondContact O-N 3.3Å; V25-L27 PolarHBondContact O-N 3.02Å; V25-S28 PolarHBondContact O-N 3.14Å; V25-S28 PolarHBondContact O-OG 3.22Å; V25-F31 HydrophobicContact CG1-CD2 4.17Å; V25-F31 HydrophobicContact CG1-CE2 4.04Å; V25-F37 HydrophobicContact CB-CD1 4.07Å; V25-F37 HydrophobicContact CB-CD2 4.22Å; V25-F37 HydrophobicContact CB-CE1 4.03Å; V25-F37 HydrophobicContact CB-CE2 4.18Å; V25-F37 HydrophobicContact CB-CG 4.16Å; V25-F37 HydrophobicContact CB-CZ 4.08Å; V25-F37 HydrophobicContact CG1-CB 4.08Å; V25-F37 HydrophobicContact CG1-CD1 3.98Å; V25-F37 HydrophobicContact CG1-CD2 3.55Å; V25-F37 HydrophobicContact CG1-CE1 4.34Å; V25-F37 HydrophobicContact CG1-CE2 3.94Å; V25-F37 HydrophobicContact CG1-CG 3.56Å; V25-F37 HydrophobicContact CG1-CZ 4.31Å; V25-F37 HydrophobicContact CG2-CD2 4.37Å; V25-F37 HydrophobicContact CG2-CE1 4.23Å; V25-F37 HydrophobicContact CG2-CE2 3.89Å; V25-F37 HydrophobicContact CG2-CZ 3.8Å; V25-L65 HydrophobicContact CB-CD2 4.19Å; V25-L65 HydrophobicContact CG2-CD2 3.75Å; V25-L65 HydrophobicContact CG2-CG 4.21Å; V25-V69 HydrophobicContact CG1-CG2 4.49Å; V25-V69 HydrophobicContact CG2-CG2 3.98Å
26Q94Very high93.1Very high7 Ų740.7 Ų40.73%0.03323%0.228CC..Hα-helixtrans-63.2-42.7-179.3-66-7112.400112.1L22 S28 G29 S34 S267 Y270L22-Q26 HydrophobicContact CD1-CG 3.73Å; L22-Q26 HydrophobicContact CG-CG 4.21Å; L22-Q26 WeakPolarHBondContact O-CB 3.39Å; L22-Q26 WeakPolarHBondContact O-CG 3.39Å; L22-Q26 PolarHBondContact O-N 3.12Å; Q26-S28 VanDerWaalsContact C-N 3.32Å; Q26-S28 PolarHBondContact O-N 3.48Å; Q26-G29 PolarHBondContact O-N 3.34Å; Q26-S34 PolarHBondContact NE2-O 3.17Å; Q26-S34 VanDerWaalsContact OE1-CB 3.28Å; Q26-S34 PolarHBondContact OE1-OG 3.41Å; Q26-S267 PolarHBondContact NE2-O 2.79Å; Q26-S267 VanDerWaalsContact NE2-O 3.13Å; Q26-Y270 HydrophobicContact CB-CD1 3.73Å; Q26-Y270 HydrophobicContact CB-CG 4.12Å; Q26-Y270 HydrophobicContact CG-CD1 4.17Å; Q26-Y270 HydrophobicContact CG-CG 4.06Å
27L92.4Very high93.2Very high100 Ų10040.7 Ų40.752%0.52423%0.228SC..Hα-helixtrans-74.9-18.9180-66.2-178.5000113.9E23 V25 G29 L274E23-L27 HydrophobicContact CG-CD1 3.66Å; E23-L27 HydrophobicContact CG-CG 4.3Å; E23-L27 VanDerWaalsContact O-CB 3.27Å; E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.32Å; E23-L27 PolarHBondContact O-N 2.99Å; V25-L27 PolarHBondContact O-N 3.02Å; L27-G29 PolarHBondContact O-N 2.84Å; L27-L274 HydrophobicContact CD2-CD1 3.81Å
28S93.4Very high93.4Very high39 Ų3940 Ų4027%0.27322%0.224SC..Hα-helixtrans-67.5-21.4175.375.10000113.4A24 V25 Q26 M30A24-S28 WeakPolarHBondContact O-CB 3.43Å; A24-S28 PolarHBondContact O-N 3.32Å; A24-S28 VanDerWaalsContact O-N 3.1Å; V25-S28 PolarHBondContact O-N 3.14Å; V25-S28 PolarHBondContact O-OG 3.22Å; Q26-S28 VanDerWaalsContact C-N 3.32Å; Q26-S28 PolarHBondContact O-N 3.48Å; S28-M30 PolarHBondContact O-N 3.34Å; S28-M30 WeakPolarHBondContact OG-CB 3.39Å; S28-M30 PolarHBondContact OG-N 3.39Å
29G89.1Confident93.6Very high48 Ų4836.8 Ų36.850%0.49521%0.209SC..THydrogen-bonded Turntrans66.618.7-173.900000114Q26 L27 F31Q26-G29 PolarHBondContact O-N 3.34Å; L27-G29 PolarHBondContact O-N 2.84Å; G29-F31 PolarHBondContact O-N 2.82Å
30M91.3Very high93.8Very high50 Ų5035.8 Ų35.825%0.24620%0.198CC..  trans-58.8-35.5-179.7-177.7-173-46.100113S28 L65 K66 V69S28-M30 PolarHBondContact O-N 3.34Å; S28-M30 WeakPolarHBondContact OG-CB 3.39Å; S28-M30 PolarHBondContact OG-N 3.39Å; M30-L65 HydrophobicContact CE-CB 3.89Å; M30-L65 HydrophobicContact CE-CD2 3.98Å; M30-L65 HydrophobicContact CE-CG 4.15Å; M30-K66 HydrophobicContact CE-CB 3.84Å; M30-K66 VanDerWaalsContact CE-N 3.28Å; M30-K66 HydrophobicContact SD-CB 4.01Å; M30-K66 HydrophobicContact SD-CG 4.06Å; M30-V69 HydrophobicContact CE-CG2 4.19Å; M30-V69 HydrophobicContact SD-CB 4.38Å; M30-V69 HydrophobicContact SD-CG2 4.27Å
31F92.1Very high94Very high39 Ų3933.4 Ų33.417%0.17118%0.183CC..SBendtrans-112.8136.1176.4-56-70.4000110.2V25 G29 H36 F37 M40 V69 K271V25-F31 HydrophobicContact CG1-CD2 4.17Å; V25-F31 HydrophobicContact CG1-CE2 4.04Å; G29-F31 PolarHBondContact O-N 2.82Å; F31-H36 HydrophobicContact CB-CB 4.11Å; F31-H36 HydrophobicContact CD1-CB 4.49Å; F31-H36 AromaticContact CD1-CD2 3.26Å; F31-H36 WeakPolarHBondContact CD1-CD2 3.2Å; F31-H36 AromaticContact CD1-CG 3.91Å; F31-H36 AromaticContact CD1-NE2 3.68Å; F31-H36 AromaticContact CE1-CD2 3.34Å; F31-H36 WeakPolarHBondContact CE1-CD2 3.35Å; F31-H36 AromaticContact CE1-NE2 3.45Å; F31-H36 WeakPolarHBondContact CE1-NE2 3.37Å; F31-H36 HydrophobicContact CG-CB 4.27Å; F31-H36 AromaticContact CG-CD2 3.67Å; F31-H36 AromaticContact CZ-CD2 3.83Å; F31-F37 HydrophobicContact CD2-CB 4.06Å; F31-F37 HydrophobicContact CE2-CB 4.22Å; F31-F37 HydrophobicContact CE2-CD2 4.22Å; F31-M40 HydrophobicContact CE2-SD 4.18Å; F31-M40 HydrophobicContact CZ-CE 4.49Å; F31-M40 HydrophobicContact CZ-SD 3.93Å; F31-V69 HydrophobicContact CE2-CG1 4.33Å; F31-V69 HydrophobicContact CZ-CG1 4.04Å; F31-K271 PolarHBondContact O-NZ 3.3Å
32E89.6Confident94Very high181 Ų18133.4 Ų33.485%0.84618%0.183SC*.SBendtrans-67.6-36.6178.2-175.4168.9-161.400112.1K271E32-K271 VanDerWaalsContact C-NZ 3.29Å; E32-K271 PolarHBondContact O-NZ 2.87Å
33D89.9Confident94.1Very high51 Ų5138 Ų3827%0.27320%0.2SC..SBendtrans-100.3124.9173.1-176.8-8.2000110.1K35 H36 R147D33-K35 PolarHBondContact O-N 3.41Å; D33-K35 WeakPolarHBondContact OD1-CB 3.29Å; D33-K35 PolarHBondContact OD1-N 3.43Å; D33-H36 VanDerWaalsContact O-CB 3.27Å; D33-H36 WeakPolarHBondContact O-CB 3.38Å; D33-H36 PolarHBondContact O-N 3.4Å; D33-R147 IonicContact OD1-CZ 3.3Å; D33-R147 IonicContact OD1-NE 2.91Å; D33-R147 IonicContact OD1-NH2 3.75Å; D33-R147 PolarHBondContact OD1-NH2 3.39Å; D33-R147 IonicContact OD2-CZ 3.06Å; D33-R147 IonicContact OD2-NE 3.19Å; D33-R147 PolarHBondContact OD2-NE 3.06Å; D33-R147 IonicContact OD2-NH2 3Å; D33-R147 PolarHBondContact OD2-NH2 3.45Å
34S93.9Very high94.1Very high0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-65.1-25177.5-91.80000113.7Q26 H36 E268 K271 E272Q26-S34 PolarHBondContact NE2-O 3.17Å; Q26-S34 VanDerWaalsContact OE1-CB 3.28Å; Q26-S34 PolarHBondContact OE1-OG 3.41Å; S34-H36 VanDerWaalsContact C-N 3.25Å; S34-H36 PolarHBondContact O-N 3.39Å; S34-E268 CarbonylContact C-O 3.6Å; S34-E268 VanDerWaalsContact CB-O 3.28Å; S34-E268 WeakPolarHBondContact CB-O 3.35Å; S34-K271 WeakPolarHBondContact OG-CD 3.36Å; S34-K271 VanDerWaalsContact OG-CE 3.32Å; S34-K271 WeakPolarHBondContact OG-CE 3.11Å; S34-K271 WeakPolarHBondContact OG-CG 3.34Å; S34-E272 WeakPolarHBondContact CB-OE2 3.45Å; S34-E272 PolarHBondContact OG-OE2 3.02Å
35K95.5Very high94Very high2 Ų240 Ų401%0.00921%0.205CC..Hα-helixtrans-69.4-26.1176.5-172171.9-172.9-73.70112.5D33 F37 V38 D39 R147 E150 E268D33-K35 PolarHBondContact O-N 3.41Å; D33-K35 WeakPolarHBondContact OD1-CB 3.29Å; D33-K35 PolarHBondContact OD1-N 3.43Å; K35-F37 VanDerWaalsContact C-N 3.3Å; K35-F37 PolarHBondContact O-N 3.03Å; K35-V38 HydrophobicContact CG-CG2 4.32Å; K35-V38 VanDerWaalsContact O-CG2 3.25Å; K35-V38 WeakPolarHBondContact O-CG2 3.49Å; K35-V38 PolarHBondContact O-N 3.16Å; K35-D39 WeakPolarHBondContact CG-OD2 2.95Å; K35-D39 IonicContact NZ-OD1 3.49Å; K35-D39 IonicContact NZ-OD2 2.71Å; K35-D39 PolarHBondContact NZ-OD2 3.12Å; K35-D39 PolarHBondContact O-N 3.38Å; K35-D39 VanDerWaalsContact O-N 3.11Å; K35-R147 PolarHBondContact NZ-O 3.08Å; K35-E150 WeakPolarHBondContact CE-OE1 3.39Å; K35-E150 IonicContact NZ-OE1 2.74Å; K35-E150 PolarHBondContact NZ-OE1 3.17Å; K35-E150 IonicContact NZ-OE2 2.77Å; K35-E150 PolarHBondContact NZ-OE2 3Å; K35-E268 HydrophobicContact CB-CB 4.12Å; K35-E268 HydrophobicContact CG-CB 4.11Å; K35-E268 PolarHBondContact N-O 3.38Å
36H95.3Very high94Very high55 Ų5540 Ų4026%0.25521%0.205SC..Hα-helixtrans-52.7-48.7-178.1-172.596.6000111.6F31 D33 S34 D39 M40 E75 P76F31-H36 HydrophobicContact CB-CB 4.11Å; F31-H36 HydrophobicContact CD1-CB 4.49Å; F31-H36 AromaticContact CD1-CD2 3.26Å; F31-H36 WeakPolarHBondContact CD1-CD2 3.2Å; F31-H36 AromaticContact CD1-CG 3.91Å; F31-H36 AromaticContact CD1-NE2 3.68Å; F31-H36 AromaticContact CE1-CD2 3.34Å; F31-H36 WeakPolarHBondContact CE1-CD2 3.35Å; F31-H36 AromaticContact CE1-NE2 3.45Å; F31-H36 WeakPolarHBondContact CE1-NE2 3.37Å; F31-H36 HydrophobicContact CG-CB 4.27Å; F31-H36 AromaticContact CG-CD2 3.67Å; F31-H36 AromaticContact CZ-CD2 3.83Å; D33-H36 VanDerWaalsContact O-CB 3.27Å; D33-H36 WeakPolarHBondContact O-CB 3.38Å; D33-H36 PolarHBondContact O-N 3.4Å; S34-H36 VanDerWaalsContact C-N 3.25Å; S34-H36 PolarHBondContact O-N 3.39Å; H36-D39 PolarHBondContact O-N 2.79Å; H36-M40 VanDerWaalsContact O-CG 3.3Å; H36-M40 WeakPolarHBondContact O-CG 3.47Å; H36-M40 PolarHBondContact O-N 2.96Å; H36-E75 IonicContact CE1-OE2 3.65Å; H36-E75 PolarHBondContact CE1-OE2 3.23Å; H36-E75 IonicContact NE2-OE2 3.57Å; H36-E75 PolarHBondContact NE2-OE2 3.06Å; H36-P76 VanDerWaalsContact O-CG 3.32Å; H36-P76 WeakPolarHBondContact O-CG 3.49Å
37F96.3Very high94Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-68.3-41.9-177.7178.2-111.8000113.5L21 L22 V25 F31 K35 D39 M40 V69 F73L21-F37 HydrophobicContact CD1-CZ 4.4Å; L21-F37 HydrophobicContact CG-CZ 4.14Å; L22-F37 HydrophobicContact CD1-CD1 3.89Å; L22-F37 HydrophobicContact CD1-CE1 4.06Å; V25-F37 HydrophobicContact CB-CD1 4.07Å; V25-F37 HydrophobicContact CB-CD2 4.22Å; V25-F37 HydrophobicContact CB-CE1 4.03Å; V25-F37 HydrophobicContact CB-CE2 4.18Å; V25-F37 HydrophobicContact CB-CG 4.16Å; V25-F37 HydrophobicContact CB-CZ 4.08Å; V25-F37 HydrophobicContact CG1-CB 4.08Å; V25-F37 HydrophobicContact CG1-CD1 3.98Å; V25-F37 HydrophobicContact CG1-CD2 3.55Å; V25-F37 HydrophobicContact CG1-CE1 4.34Å; V25-F37 HydrophobicContact CG1-CE2 3.94Å; V25-F37 HydrophobicContact CG1-CG 3.56Å; V25-F37 HydrophobicContact CG1-CZ 4.31Å; V25-F37 HydrophobicContact CG2-CD2 4.37Å; V25-F37 HydrophobicContact CG2-CE1 4.23Å; V25-F37 HydrophobicContact CG2-CE2 3.89Å; V25-F37 HydrophobicContact CG2-CZ 3.8Å; F31-F37 HydrophobicContact CD2-CB 4.06Å; F31-F37 HydrophobicContact CE2-CB 4.22Å; F31-F37 HydrophobicContact CE2-CD2 4.22Å; K35-F37 VanDerWaalsContact C-N 3.3Å; K35-F37 PolarHBondContact O-N 3.03Å; F37-D39 PolarHBondContact O-N 3.36Å; F37-M40 HydrophobicContact CD2-SD 3.86Å; F37-M40 WeakPolarHBondContact O-CB 3.47Å; F37-M40 PolarHBondContact O-N 3.27Å; F37-V69 HydrophobicContact CE2-CG2 4.27Å; F37-F73 HydrophobicContact CE2-CD1 4.24Å; F37-F73 HydrophobicContact CE2-CD2 4.42Å; F37-F73 AromaticContact CE2-CE1 3.8Å; F37-F73 HydrophobicContact CE2-CE1 3.8Å; F37-F73 HydrophobicContact CE2-CE2 4.03Å; F37-F73 AromaticContact CE2-CZ 3.69Å; F37-F73 HydrophobicContact CE2-CZ 3.69Å; F37-F73 AromaticContact CZ-CE1 3.98Å; F37-F73 HydrophobicContact CZ-CE1 3.98Å; F37-F73 HydrophobicContact CZ-CE2 4.31Å; F37-F73 AromaticContact CZ-CZ 3.68Å; F37-F73 HydrophobicContact CZ-CZ 3.68Å
38V96.1Very high94.1Very high0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-73.3-14.1-177.7-63.70000113L22 K35 S133 Y196 S267 E268L22-V38 HydrophobicContact CD1-CG1 3.58Å; K35-V38 HydrophobicContact CG-CG2 4.32Å; K35-V38 VanDerWaalsContact O-CG2 3.25Å; K35-V38 WeakPolarHBondContact O-CG2 3.49Å; K35-V38 PolarHBondContact O-N 3.16Å; V38-S133 WeakPolarHBondContact O-CB 3.36Å; V38-S133 PolarHBondContact O-OG 3.4Å; V38-Y196 HydrophobicContact CB-CD1 4.1Å; V38-Y196 HydrophobicContact CB-CE1 3.78Å; V38-Y196 HydrophobicContact CG2-CD1 4.25Å; V38-Y196 HydrophobicContact CG2-CE1 3.63Å; V38-S267 WeakPolarHBondContact CG1-O 3.35Å; V38-E268 HydrophobicContact CG2-CB 4.07Å
39D96.6Very high94.3Very high5 Ų539.4 Ų39.43%0.02721%0.207CC..Hα-helixtrans-93.9-10.8173.1-73.4-0.6000113.7K35 H36 F37 P76 R194 Y196K35-D39 WeakPolarHBondContact CG-OD2 2.95Å; K35-D39 IonicContact NZ-OD1 3.49Å; K35-D39 IonicContact NZ-OD2 2.71Å; K35-D39 PolarHBondContact NZ-OD2 3.12Å; K35-D39 PolarHBondContact O-N 3.38Å; K35-D39 VanDerWaalsContact O-N 3.11Å; H36-D39 PolarHBondContact O-N 2.79Å; F37-D39 PolarHBondContact O-N 3.36Å; D39-P76 HydrophobicContact CB-CB 3.91Å; D39-P76 HydrophobicContact CB-CG 4.18Å; D39-R194 IonicContact OD1-CZ 3.56Å; D39-R194 IonicContact OD1-NE 3.28Å; D39-R194 PolarHBondContact OD1-NE 3.47Å; D39-R194 IonicContact OD1-NH2 3.76Å; D39-R194 IonicContact OD2-NH2 2.84Å; D39-Y196 PolarHBondContact OD1-OH 3.1Å
40M97Very high94.5Very high3 Ų337.6 Ų37.62%0.01519%0.186CC..PPolyproline II helixtrans-62.2146.7171.8-61.6-174.387.600110.2F16 F31 H36 F37 V69 F73 D74 P76F16-M40 VanDerWaalsContact CE1-O 3.27Å; F16-M40 WeakPolarHBondContact CE1-O 3.3Å; F31-M40 HydrophobicContact CE2-SD 4.18Å; F31-M40 HydrophobicContact CZ-CE 4.49Å; F31-M40 HydrophobicContact CZ-SD 3.93Å; H36-M40 VanDerWaalsContact O-CG 3.3Å; H36-M40 WeakPolarHBondContact O-CG 3.47Å; H36-M40 PolarHBondContact O-N 2.96Å; F37-M40 HydrophobicContact CD2-SD 3.86Å; F37-M40 WeakPolarHBondContact O-CB 3.47Å; F37-M40 PolarHBondContact O-N 3.27Å; M40-V69 HydrophobicContact CE-CG1 3.73Å; M40-V69 HydrophobicContact SD-CG1 3.7Å; M40-F73 HydrophobicContact CB-CB 4.1Å; M40-F73 HydrophobicContact CB-CD1 3.7Å; M40-F73 HydrophobicContact CB-CG 4.31Å; M40-F73 HydrophobicContact CE-CB 3.61Å; M40-F73 HydrophobicContact SD-CB 4.07Å; M40-F73 HydrophobicContact SD-CG 4.45Å; M40-D74 WeakPolarHBondContact CA-O 3.23Å; M40-D74 WeakPolarHBondContact CB-O 3.4Å; M40-P76 HydrophobicContact CG-CG 4.12Å
41S95.7Very high94.7Very high4 Ų436.4 Ų36.43%0.02819%0.186CC..EExtended strand (participates in β ladder)trans-98.8148.5175.265.90000111.4F73 D74 S78S41-F73 CarbonylContact O-C 3.6Å; S41-F73 WeakPolarHBondContact O-CA 3.45Å; S41-D74 PolarHBondContact N-O 3.15Å; S41-D74 VanDerWaalsContact N-O 3.17Å; S41-D74 PolarHBondContact O-N 2.79Å; S41-D74 WeakPolarHBondContact OG-CB 3.25Å; S41-S78 PolarHBondContact OG-OG 2.96Å
42L96.7Very high94.8Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-80.1134.7179.8-68.3169.4000111.2V15 F16 Y44 P46 T49 F73 R131V15-L42 HydrophobicContact CG1-CD1 4.4Å; V15-L42 HydrophobicContact CG1-CD2 4.21Å; F16-L42 HydrophobicContact CE2-CD1 3.97Å; F16-L42 HydrophobicContact CE2-CG 4.3Å; F16-L42 HydrophobicContact CZ-CD1 3.93Å; F16-L42 HydrophobicContact CZ-CG 3.74Å; L42-Y44 VanDerWaalsContact C-N 3.28Å; L42-Y44 WeakPolarHBondContact CB-O 3.4Å; L42-Y44 PolarHBondContact O-N 3.46Å; L42-P46 HydrophobicContact CD1-CB 4.34Å; L42-P46 HydrophobicContact CD1-CG 3.91Å; L42-T49 HydrophobicContact CD2-CG2 3.7Å; L42-F73 HydrophobicContact CD2-CD1 3.88Å; L42-F73 HydrophobicContact CD2-CE1 3.31Å; L42-F73 HydrophobicContact CD2-CE2 4.06Å; L42-F73 HydrophobicContact CD2-CG 4.47Å; L42-F73 HydrophobicContact CD2-CZ 3.41Å; L42-F73 VanDerWaalsContact CD2-CZ 3.41Å; L42-F73 HydrophobicContact CG-CE1 4.17Å; L42-R131 HydrophobicContact CB-CB 4.12Å; L42-R131 HydrophobicContact CB-CG 4.46Å; L42-R131 WeakPolarHBondContact CB-O 3.43Å; L42-R131 PolarHBondContact N-O 2.87Å; L42-R131 PolarHBondContact O-NE 3.26Å; L42-R131 PolarHBondContact O-NH2 3.02Å
43R95.8Very high95.1Very high96 Ų9627.6 Ų27.636%0.36215%0.151SC..SBendtrans-72.4-19.4169.2-68.6180-172.3-68.7-8.7113.6E70 N71 F72 F73 D74 R131R43-E70 PolarHBondContact NE-O 3.36Å; R43-N71 VanDerWaalsContact CD-O 3.31Å; R43-N71 WeakPolarHBondContact CD-O 3.5Å; R43-F72 WeakPolarHBondContact CB-O 3.26Å; R43-F72 PolarHBondContact N-O 2.74Å; R43-F73 PolarHBondContact NE-O 3.25Å; R43-F73 PolarHBondContact NH2-O 2.98Å; R43-D74 WeakPolarHBondContact CG-OD2 3.44Å; R43-D74 IonicContact CZ-OD1 3.91Å; R43-D74 IonicContact CZ-OD2 3.64Å; R43-D74 IonicContact NE-OD1 2.79Å; R43-D74 IonicContact NH1-OD1 3.23Å; R43-D74 PolarHBondContact NH1-OD1 2.78Å; R43-D74 IonicContact NH1-OD2 2.73Å; R43-D74 PolarHBondContact NH1-OD2 2.85Å; R43-D74 IonicContact NH2-OD1 3.48Å; R43-D74 PolarHBondContact NH2-OD1 3.44Å; R43-R131 PolarHBondContact O-NH2 3.2Å
44Y95.1Very high95.4Very high118 Ų11829.3 Ų29.346%0.46316%0.16SC..SBendtrans-137.9174.2-177.9-54.8-81.3000110.9L42 T48 F72L42-Y44 VanDerWaalsContact C-N 3.28Å; L42-Y44 WeakPolarHBondContact CB-O 3.4Å; L42-Y44 PolarHBondContact O-N 3.46Å; Y44-T48 HydrophobicContact CG-CG2 4.4Å; Y44-F72 AromaticContact CD2-CD1 3.55Å; Y44-F72 HydrophobicContact CD2-CD1 3.55Å; Y44-F72 AromaticContact CD2-CE1 3.85Å; Y44-F72 HydrophobicContact CD2-CE1 3.85Å; Y44-F72 HydrophobicContact CD2-CG 4.38Å; Y44-F72 HydrophobicContact CE2-CD1 4.06Å; Y44-F72 HydrophobicContact CE2-CE1 4.18Å
45S94.2Very high95.4Very high40 Ų4037.1 Ų37.128%0.2820%0.196SC..  trans-59.9151.4176.378.80000112S47 T48 T49S45-S47 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-N 2.86Å; S45-T48 WeakPolarHBondContact OG-CB 3.47Å; S45-T48 PolarHBondContact OG-N 2.85Å; S45-T48 VanDerWaalsContact OG-N 3.15Å; S45-T48 PolarHBondContact OG-OG1 3.12Å; S45-T49 PolarHBondContact O-N 3.26Å; S45-T49 PolarHBondContact O-OG1 3.38Å
46P94.6Very high95.3Very high2 Ų238.4 Ų38.41%0.01320%0.203CC..Hα-helixtrans-51.6-40.1174.9-29.535.6000113.3I10 D12 V15 L42 T49 L50 N130I10-P46 HydrophobicContact CG2-CB 4.41Å; D12-P46 HydrophobicContact CB-CG 4.23Å; V15-P46 HydrophobicContact CG2-CB 4.18Å; L42-P46 HydrophobicContact CD1-CB 4.34Å; L42-P46 HydrophobicContact CD1-CG 3.91Å; P46-T49 PolarHBondContact O-N 2.81Å; P46-L50 VanDerWaalsContact O-CB 3.25Å; P46-L50 WeakPolarHBondContact O-CB 3.34Å; P46-L50 PolarHBondContact O-N 3.27Å; P46-N130 HydrophobicContact CG-CB 4.38Å; P46-N130 WeakPolarHBondContact CG-O 3.3Å
47S93.4Very high95.1Very high59 Ų5940.2 Ų40.241%0.41322%0.22SC..Hα-helixtrans-65.4-42.5179.2-37.40000112.2S45 G51S45-S47 PolarHBondContact O-N 3.36Å; S47-G51 WeakPolarHBondContact O-CA 3.28Å; S47-G51 PolarHBondContact O-N 3.12Å
48T95.3Very high94.8Very high74 Ų7445.8 Ų45.845%0.45425%0.249SC..Hα-helixtrans-65.2-47.9176.3-55.20000111Y44 S45 G51 A52Y44-T48 HydrophobicContact CG-CG2 4.4Å; S45-T48 PolarHBondContact O-N 2.86Å; S45-T48 WeakPolarHBondContact OG-CB 3.47Å; S45-T48 PolarHBondContact OG-N 2.85Å; S45-T48 VanDerWaalsContact OG-N 3.15Å; S45-T48 PolarHBondContact OG-OG1 3.12Å; T48-G51 PolarHBondContact O-N 3.36Å; T48-A52 WeakPolarHBondContact O-CB 3.3Å; T48-A52 PolarHBondContact O-N 3.37Å
49T96.1Very high94.5Very high0 Ų049.3 Ų49.30%027%0.265CS..Hα-helixtrans-65.6-49.7-178-58.10000111.3L21 L42 S45 P46 G51 A52 F53 F68 F72 F73L21-T49 HydrophobicContact CD2-CG2 4.14Å; L42-T49 HydrophobicContact CD2-CG2 3.7Å; S45-T49 PolarHBondContact O-N 3.26Å; S45-T49 PolarHBondContact O-OG1 3.38Å; P46-T49 PolarHBondContact O-N 2.81Å; T49-G51 VanDerWaalsContact C-N 3.32Å; T49-G51 PolarHBondContact O-N 2.96Å; T49-A52 PolarHBondContact O-N 3.49Å; T49-F53 PolarHBondContact O-N 2.97Å; T49-F68 HydrophobicContact CG2-CE1 4.22Å; T49-F68 HydrophobicContact CG2-CZ 3.97Å; T49-F68 WeakPolarHBondContact O-CZ 3.33Å; T49-F72 HydrophobicContact CG2-CB 3.94Å; T49-F72 HydrophobicContact CG2-CD1 3.89Å; T49-F72 HydrophobicContact CG2-CG 4.18Å; T49-F73 HydrophobicContact CG2-CE2 4.04Å; T49-F73 HydrophobicContact CG2-CZ 4.25Å
50L94.6Very high94.1Very high11 Ų1155.7 Ų55.76%0.05830%0.304CS..Hα-helixtrans-66.6-37179.1-167.766.5000111.3I10 D14 V15 P20 L21 P46 A52 F53 L54I10-L50 HydrophobicContact CD1-CD2 4.22Å; I10-L50 HydrophobicContact CG1-CD2 4.3Å; I10-L50 HydrophobicContact CG2-CB 4.21Å; I10-L50 HydrophobicContact CG2-CD2 3.68Å; D14-L50 HydrophobicContact CB-CD2 4.02Å; V15-L50 HydrophobicContact CG2-CB 4.5Å; P20-L50 HydrophobicContact CG-CD1 4.45Å; L21-L50 HydrophobicContact CB-CD1 3.96Å; P46-L50 VanDerWaalsContact O-CB 3.25Å; P46-L50 WeakPolarHBondContact O-CB 3.34Å; P46-L50 PolarHBondContact O-N 3.27Å; L50-A52 PolarHBondContact O-N 3.21Å; L50-F53 HydrophobicContact CD1-CD1 4.28Å; L50-F53 PolarHBondContact O-N 2.95Å; L50-L54 HydrophobicContact CG-CD1 4.41Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 2.83Å
51G94.4Very high93.8Very high24 Ų2458.6 Ų58.625%0.24732%0.32CS..Hα-helixtrans-58.1-46.1172.100000112.4S47 T48 T49 L54 H55S47-G51 WeakPolarHBondContact O-CA 3.28Å; S47-G51 PolarHBondContact O-N 3.12Å; T48-G51 PolarHBondContact O-N 3.36Å; T49-G51 VanDerWaalsContact C-N 3.32Å; T49-G51 PolarHBondContact O-N 2.96Å; G51-L54 PolarHBondContact O-N 3.34Å; G51-H55 PolarHBondContact O-N 3.41Å; G51-H55 PolarHBondContact O-ND1 2.93Å
52A95.6Very high93.5Very high33 Ų3362.2 Ų62.227%0.27334%0.343SS..Hα-helixtrans-64.3-42.1175.600000111.9T48 T49 L50 L54 H55 L56 F68 F72T48-A52 WeakPolarHBondContact O-CB 3.3Å; T48-A52 PolarHBondContact O-N 3.37Å; T49-A52 PolarHBondContact O-N 3.49Å; L50-A52 PolarHBondContact O-N 3.21Å; A52-L54 PolarHBondContact O-N 3.17Å; A52-H55 PolarHBondContact O-N 3.18Å; A52-L56 PolarHBondContact O-N 2.81Å; A52-F68 HydrophobicContact CB-CE2 3.94Å; A52-F68 HydrophobicContact CB-CZ 4.48Å; A52-F72 HydrophobicContact CB-CE1 3.65Å; A52-F72 HydrophobicContact CB-CE2 4.21Å; A52-F72 HydrophobicContact CB-CZ 3.42Å; A52-F72 VanDerWaalsContact CB-CZ 3.42Å
53F96.1Very high93.3Very high2 Ų265.4 Ų65.41%0.00937%0.37CS..Hα-helixtrans-60.3-45.8175.9176.9-107.4000111.7P20 L21 A24 T49 L50 H55 L56 K59 L65 F68P20-F53 HydrophobicContact CB-CE1 4.01Å; P20-F53 HydrophobicContact CG-CE1 4.19Å; L21-F53 HydrophobicContact CB-CD1 3.78Å; L21-F53 HydrophobicContact CB-CD2 4.47Å; L21-F53 HydrophobicContact CB-CE1 3.96Å; L21-F53 HydrophobicContact CB-CG 4.04Å; L21-F53 HydrophobicContact CB-CZ 4.37Å; L21-F53 HydrophobicContact CD1-CB 4.41Å; L21-F53 HydrophobicContact CD1-CD1 4.38Å; L21-F53 HydrophobicContact CD1-CD2 3.52Å; L21-F53 HydrophobicContact CD1-CE2 3.78Å; L21-F53 HydrophobicContact CD1-CG 3.84Å; L21-F53 HydrophobicContact CD1-CZ 4.31Å; L21-F53 HydrophobicContact CD2-CB 4.46Å; L21-F53 HydrophobicContact CG-CD2 4.48Å; L21-F53 HydrophobicContact CG-CG 4.35Å; A24-F53 HydrophobicContact CB-CE2 4.16Å; A24-F53 HydrophobicContact CB-CZ 3.69Å; T49-F53 PolarHBondContact O-N 2.97Å; L50-F53 HydrophobicContact CD1-CD1 4.28Å; L50-F53 PolarHBondContact O-N 2.95Å; F53-H55 PolarHBondContact O-N 3.15Å; F53-L56 HydrophobicContact CD2-CD2 4.23Å; F53-L56 WeakPolarHBondContact O-CB 3.49Å; F53-L56 PolarHBondContact O-N 2.82Å; F53-K59 HydrophobicContact CE1-CD 4.16Å; F53-K59 HydrophobicContact CE2-CB 4.47Å; F53-K59 HydrophobicContact CE2-CD 4.34Å; F53-K59 HydrophobicContact CE2-CG 4.38Å; F53-K59 HydrophobicContact CZ-CB 4.4Å; F53-K59 HydrophobicContact CZ-CD 3.91Å; F53-K59 HydrophobicContact CZ-CG 4.37Å; F53-K59 WeakPolarHBondContact O-CE 3.46Å; F53-L65 HydrophobicContact CE2-CD1 3.93Å; F53-F68 HydrophobicContact CB-CE1 4.01Å; F53-F68 HydrophobicContact CB-CE2 4.03Å; F53-F68 HydrophobicContact CB-CZ 3.53Å; F53-F68 HydrophobicContact CD2-CD1 4.33Å; F53-F68 HydrophobicContact CD2-CE1 4.14Å; F53-F68 HydrophobicContact CD2-CZ 4.37Å; F53-F68 HydrophobicContact CG-CE1 4.5Å; F53-F68 HydrophobicContact CG-CZ 4.43Å
54L94.2Very high93.2Very high88 Ų8862.8 Ų62.846%0.46136%0.364SS..Hα-helixtrans-60.8-31.9-179-71.8171.3000112.6P20 L50 G51 A52 K59P20-L54 HydrophobicContact CG-CD2 4.29Å; L50-L54 HydrophobicContact CG-CD1 4.41Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 2.83Å; G51-L54 PolarHBondContact O-N 3.34Å; A52-L54 PolarHBondContact O-N 3.17Å; L54-K59 WeakPolarHBondContact O-CE 3.49Å; L54-K59 PolarHBondContact O-NZ 2.74Å
55H94.8Very high93.2Very high163 Ų16357.3 Ų57.376%0.75534%0.343SS*.Hα-helixtrans-85.8-5175.4-66.588.3000114.1G51 A52 F53 P57G51-H55 PolarHBondContact O-N 3.41Å; G51-H55 PolarHBondContact O-ND1 2.93Å; A52-H55 PolarHBondContact O-N 3.18Å; F53-H55 PolarHBondContact O-N 3.15Å; H55-P57 WeakPolarHBondContact O-CD 3.4Å
56L93.8Very high93.2Very high30 Ų3060.6 Ų60.616%0.15735%0.352CS..  trans-66.7123.3179.3-16769.4000110.4A52 F53 K59 V64 F68A52-L56 PolarHBondContact O-N 2.81Å; F53-L56 HydrophobicContact CD2-CD2 4.23Å; F53-L56 WeakPolarHBondContact O-CB 3.49Å; F53-L56 PolarHBondContact O-N 2.82Å; L56-K59 HydrophobicContact CB-CG 4.4Å; L56-K59 WeakPolarHBondContact O-CE 3.48Å; L56-K59 VanDerWaalsContact O-CG 3.28Å; L56-K59 WeakPolarHBondContact O-CG 3.47Å; L56-K59 PolarHBondContact O-NZ 2.85Å; L56-V64 HydrophobicContact CD1-CG1 3.9Å; L56-V64 HydrophobicContact CD2-CG1 3.95Å; L56-V64 HydrophobicContact CG-CG1 3.85Å; L56-F68 HydrophobicContact CD1-CD2 4.17Å; L56-F68 HydrophobicContact CD2-CB 3.79Å; L56-F68 HydrophobicContact CD2-CD2 3.92Å; L56-F68 HydrophobicContact CD2-CG 3.91Å
57P91Very high93.3Very high93 Ų9367 Ų6760%0.60438%0.379SS*.SBendtrans-71.8153.7171.629.4-32.8000110.6H55 K59H55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-K59 PolarHBondContact O-N 3.18Å
58N89.9Confident93.5Very high116 Ų11664.6 Ų64.662%0.6236%0.362SS*.  trans50.751.7176-63.4-10.7000114.9T60 D61N58-T60 PolarHBondContact O-N 3.02Å; N58-D61 HydrophobicContact CB-CB 4.19Å; N58-D61 WeakPolarHBondContact O-CB 3.39Å; N58-D61 PolarHBondContact O-N 3.41Å
59K90.2Very high93.5Very high75 Ų7561.2 Ų61.233%0.32634%0.341SS..THydrogen-bonded Turntrans-59.2-8.7-178.9-56.3177.9174.170.30115.4F53 L54 L56 P57 L65F53-K59 HydrophobicContact CE1-CD 4.16Å; F53-K59 HydrophobicContact CE2-CB 4.47Å; F53-K59 HydrophobicContact CE2-CD 4.34Å; F53-K59 HydrophobicContact CE2-CG 4.38Å; F53-K59 HydrophobicContact CZ-CB 4.4Å; F53-K59 HydrophobicContact CZ-CD 3.91Å; F53-K59 HydrophobicContact CZ-CG 4.37Å; F53-K59 WeakPolarHBondContact O-CE 3.46Å; L54-K59 WeakPolarHBondContact O-CE 3.49Å; L54-K59 PolarHBondContact O-NZ 2.74Å; L56-K59 HydrophobicContact CB-CG 4.4Å; L56-K59 WeakPolarHBondContact O-CE 3.48Å; L56-K59 VanDerWaalsContact O-CG 3.28Å; L56-K59 WeakPolarHBondContact O-CG 3.47Å; L56-K59 PolarHBondContact O-NZ 2.85Å; P57-K59 PolarHBondContact O-N 3.18Å; K59-L65 WeakPolarHBondContact O-CD1 3.46Å
60T87.3Confident93.5Very high139 Ų13966.5 Ų66.585%0.85337%0.366SS*.THydrogen-bonded Turntrans-98.9-6.4176.756.50000112.9N58 P62N58-T60 PolarHBondContact O-N 3.02Å; T60-P62 WeakPolarHBondContact O-CD 3.46Å
61D91.4Very high93.6Very high64 Ų6470 Ų7034%0.34238%0.384SS..  trans-79.4117.4176.2-177.3-26.8000109.8N58 A63 V64 L65N58-D61 HydrophobicContact CB-CB 4.19Å; N58-D61 WeakPolarHBondContact O-CB 3.39Å; N58-D61 PolarHBondContact O-N 3.41Å; D61-A63 VanDerWaalsContact C-N 3.26Å; D61-A63 PolarHBondContact O-N 2.7Å; D61-A63 WeakPolarHBondContact OD1-CB 3.47Å; D61-A63 PolarHBondContact OD1-N 2.7Å; D61-V64 HydrophobicContact CB-CB 4.09Å; D61-V64 HydrophobicContact CB-CG2 3.92Å; D61-V64 PolarHBondContact O-N 2.68Å; D61-L65 PolarHBondContact O-N 2.96Å
62P89.4Confident93.8Very high80 Ų8070.6 Ų70.652%0.51938%0.38SS..Hα-helixtrans-57.8-34.2-178.6-2534.8000114.1T60 K66T60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-K66 VanDerWaalsContact O-CB 3.27Å; P62-K66 WeakPolarHBondContact O-CB 3.26Å; P62-K66 PolarHBondContact O-N 3.17Å
63A91.4Very high93.8Very high67 Ų6769.2 Ų69.255%0.55437%0.368SS*.Hα-helixtrans-71.6-39.5-178.800000111.6D61 K67D61-A63 VanDerWaalsContact C-N 3.26Å; D61-A63 PolarHBondContact O-N 2.7Å; D61-A63 WeakPolarHBondContact OD1-CB 3.47Å; D61-A63 PolarHBondContact OD1-N 2.7Å; A63-K67 PolarHBondContact O-N 3.1Å; A63-K67 VanDerWaalsContact O-N 3.16Å
64V94.9Very high93.9Very high41 Ų4171.4 Ų71.425%0.24838%0.38CS..Hα-helixtrans-66.4-44.4175.7176.30000110.3L56 D61 K67 F68L56-V64 HydrophobicContact CD1-CG1 3.9Å; L56-V64 HydrophobicContact CD2-CG1 3.95Å; L56-V64 HydrophobicContact CG-CG1 3.85Å; D61-V64 HydrophobicContact CB-CB 4.09Å; D61-V64 HydrophobicContact CB-CG2 3.92Å; D61-V64 PolarHBondContact O-N 2.68Å; V64-K67 PolarHBondContact O-N 3.25Å; V64-F68 PolarHBondContact O-N 2.58Å
65L94.9Very high93.9Very high2 Ų272.8 Ų72.81%0.0138%0.384CS..Hα-helixtrans-63.7-42.5178.7-148.482.4000111.8A24 V25 M30 F53 K59 D61 K67 F68 V69A24-L65 HydrophobicContact CB-CD1 4.1Å; A24-L65 HydrophobicContact CB-CD2 4.41Å; A24-L65 WeakPolarHBondContact O-CD2 3.46Å; V25-L65 HydrophobicContact CB-CD2 4.19Å; V25-L65 HydrophobicContact CG2-CD2 3.75Å; V25-L65 HydrophobicContact CG2-CG 4.21Å; M30-L65 HydrophobicContact CE-CB 3.89Å; M30-L65 HydrophobicContact CE-CD2 3.98Å; M30-L65 HydrophobicContact CE-CG 4.15Å; F53-L65 HydrophobicContact CE2-CD1 3.93Å; K59-L65 WeakPolarHBondContact O-CD1 3.46Å; D61-L65 PolarHBondContact O-N 2.96Å; L65-K67 PolarHBondContact O-N 2.86Å; L65-F68 WeakPolarHBondContact O-CB 3.23Å; L65-F68 PolarHBondContact O-N 2.94Å; L65-F68 VanDerWaalsContact O-N 3.13Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 3.37Å
66K94.5Very high93.9Very high109 Ų10966.7 Ų66.747%0.47436%0.359SS..Hα-helixtrans-59.5-48.1178-174.8178-178.3-1770111.5M30 P62 F68 V69 E70M30-K66 HydrophobicContact CE-CB 3.84Å; M30-K66 VanDerWaalsContact CE-N 3.28Å; M30-K66 HydrophobicContact SD-CB 4.01Å; M30-K66 HydrophobicContact SD-CG 4.06Å; P62-K66 VanDerWaalsContact O-CB 3.27Å; P62-K66 WeakPolarHBondContact O-CB 3.26Å; P62-K66 PolarHBondContact O-N 3.17Å; K66-F68 VanDerWaalsContact C-N 3.25Å; K66-F68 PolarHBondContact O-N 3.36Å; K66-V69 PolarHBondContact O-N 3.22Å; K66-V69 VanDerWaalsContact O-N 3.16Å; K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 WeakPolarHBondContact O-CG 3.36Å; K66-E70 PolarHBondContact O-N 3.13Å
67K95.5Very high93.8Very high136 Ų13666.3 Ų66.359%0.59136%0.363SS*.Hα-helixtrans-62.8-33.9176.7-167.7174.5-175.7178.50112.1A63 V64 L65 N71A63-K67 PolarHBondContact O-N 3.1Å; A63-K67 VanDerWaalsContact O-N 3.16Å; V64-K67 PolarHBondContact O-N 3.25Å; L65-K67 PolarHBondContact O-N 2.86Å; K67-N71 WeakPolarHBondContact O-CB 3.49Å; K67-N71 VanDerWaalsContact O-CG 3.25Å; K67-N71 PolarHBondContact O-N 3.03Å; K67-N71 PolarHBondContact O-ND2 2.97Å
68F97.3Very high93.9Very high9 Ų963.8 Ų63.84%0.03935%0.347CS..Hα-helixtrans-63.8-49.1173-179.4-91000111.2L21 T49 A52 F53 L56 V64 L65 K66 E70 N71 F72 F73L21-F68 HydrophobicContact CD1-CD1 4.18Å; L21-F68 HydrophobicContact CD1-CE1 3.78Å; L21-F68 HydrophobicContact CD2-CE1 4.15Å; T49-F68 HydrophobicContact CG2-CE1 4.22Å; T49-F68 HydrophobicContact CG2-CZ 3.97Å; T49-F68 WeakPolarHBondContact O-CZ 3.33Å; A52-F68 HydrophobicContact CB-CE2 3.94Å; A52-F68 HydrophobicContact CB-CZ 4.48Å; F53-F68 HydrophobicContact CB-CE1 4.01Å; F53-F68 HydrophobicContact CB-CE2 4.03Å; F53-F68 HydrophobicContact CB-CZ 3.53Å; F53-F68 HydrophobicContact CD2-CD1 4.33Å; F53-F68 HydrophobicContact CD2-CE1 4.14Å; F53-F68 HydrophobicContact CD2-CZ 4.37Å; F53-F68 HydrophobicContact CG-CE1 4.5Å; F53-F68 HydrophobicContact CG-CZ 4.43Å; L56-F68 HydrophobicContact CD1-CD2 4.17Å; L56-F68 HydrophobicContact CD2-CB 3.79Å; L56-F68 HydrophobicContact CD2-CD2 3.92Å; L56-F68 HydrophobicContact CD2-CG 3.91Å; V64-F68 PolarHBondContact O-N 2.58Å; L65-F68 WeakPolarHBondContact O-CB 3.23Å; L65-F68 PolarHBondContact O-N 2.94Å; L65-F68 VanDerWaalsContact O-N 3.13Å; K66-F68 VanDerWaalsContact C-N 3.25Å; K66-F68 PolarHBondContact O-N 3.36Å; F68-E70 PolarHBondContact O-N 2.92Å; F68-N71 PolarHBondContact O-N 2.76Å; F68-F72 AromaticContact CD2-CD2 3.83Å; F68-F72 HydrophobicContact CD2-CD2 3.83Å; F68-F72 AromaticContact CD2-CE2 3.94Å; F68-F72 HydrophobicContact CD2-CE2 3.94Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 HydrophobicContact CE1-CD2 4.44Å; F68-F72 HydrophobicContact CE1-CG 4.45Å; F68-F72 AromaticContact CE2-CD2 3.6Å; F68-F72 HydrophobicContact CE2-CD2 3.6Å; F68-F72 AromaticContact CE2-CE2 3.66Å; F68-F72 HydrophobicContact CE2-CE2 3.66Å; F68-F72 HydrophobicContact CE2-CG 4.12Å; F68-F72 HydrophobicContact CE2-CZ 4.21Å; F68-F72 HydrophobicContact CG-CD2 4.33Å; F68-F72 HydrophobicContact CZ-CB 4.36Å; F68-F72 HydrophobicContact CZ-CD1 4.43Å; F68-F72 AromaticContact CZ-CD2 3.92Å; F68-F72 HydrophobicContact CZ-CD2 3.92Å; F68-F72 HydrophobicContact CZ-CE2 4.34Å; F68-F72 AromaticContact CZ-CG 3.98Å; F68-F72 HydrophobicContact CZ-CG 3.98Å; F68-F72 WeakPolarHBondContact O-CD2 3.43Å; F68-F72 PolarHBondContact O-N 3.36Å; F68-F72 VanDerWaalsContact O-N 3.17Å; F68-F73 HydrophobicContact CE1-CE2 4.24Å
69V96.4Very high94.1Very high4 Ų458.3 Ų58.32%0.02432%0.318CS..Hα-helixtrans-58.9-48.6178.9174.20000111.1V25 M30 F31 F37 M40 L65 K66 N71 F72 F73V25-V69 HydrophobicContact CG1-CG2 4.49Å; V25-V69 HydrophobicContact CG2-CG2 3.98Å; M30-V69 HydrophobicContact CE-CG2 4.19Å; M30-V69 HydrophobicContact SD-CB 4.38Å; M30-V69 HydrophobicContact SD-CG2 4.27Å; F31-V69 HydrophobicContact CE2-CG1 4.33Å; F31-V69 HydrophobicContact CZ-CG1 4.04Å; F37-V69 HydrophobicContact CE2-CG2 4.27Å; M40-V69 HydrophobicContact CE-CG1 3.73Å; M40-V69 HydrophobicContact SD-CG1 3.7Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 3.37Å; K66-V69 PolarHBondContact O-N 3.22Å; K66-V69 VanDerWaalsContact O-N 3.16Å; V69-N71 PolarHBondContact O-N 2.8Å; V69-F72 PolarHBondContact O-N 2.58Å; V69-F73 HydrophobicContact CG1-CB 4.27Å; V69-F73 HydrophobicContact CG1-CD2 4.31Å; V69-F73 HydrophobicContact CG1-CG 4.48Å; V69-F73 WeakPolarHBondContact O-CB 3.35Å; V69-F73 PolarHBondContact O-N 3.37Å
70E95.8Very high94.4Very high110 Ų11055.3 Ų55.351%0.51431%0.305SS..Hα-helixtrans-55.6-36.3178.1-71.9170.4173.500113.1R43 K66 F68R43-E70 PolarHBondContact NE-O 3.36Å; K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 WeakPolarHBondContact O-CG 3.36Å; K66-E70 PolarHBondContact O-N 3.13Å; F68-E70 PolarHBondContact O-N 2.92Å
71N97Very high94.8Very high84 Ų8452 Ų5245%0.44928%0.28SS..Hα-helixtrans-83.1-21-177.3-74-38.5000114.5R43 K67 F68 V69R43-N71 VanDerWaalsContact CD-O 3.31Å; R43-N71 WeakPolarHBondContact CD-O 3.5Å; K67-N71 WeakPolarHBondContact O-CB 3.49Å; K67-N71 VanDerWaalsContact O-CG 3.25Å; K67-N71 PolarHBondContact O-N 3.03Å; K67-N71 PolarHBondContact O-ND2 2.97Å; F68-N71 PolarHBondContact O-N 2.76Å; V69-N71 PolarHBondContact O-N 2.8Å
72F97.5Very high95Very high38 Ų3853.9 Ų53.917%0.16730%0.296CS..Hα-helixtrans-119.3-9.6-171.1-76.8-94000114R43 Y44 T49 A52 F68 V69R43-F72 WeakPolarHBondContact CB-O 3.26Å; R43-F72 PolarHBondContact N-O 2.74Å; Y44-F72 AromaticContact CD2-CD1 3.55Å; Y44-F72 HydrophobicContact CD2-CD1 3.55Å; Y44-F72 AromaticContact CD2-CE1 3.85Å; Y44-F72 HydrophobicContact CD2-CE1 3.85Å; Y44-F72 HydrophobicContact CD2-CG 4.38Å; Y44-F72 HydrophobicContact CE2-CD1 4.06Å; Y44-F72 HydrophobicContact CE2-CE1 4.18Å; T49-F72 HydrophobicContact CG2-CB 3.94Å; T49-F72 HydrophobicContact CG2-CD1 3.89Å; T49-F72 HydrophobicContact CG2-CG 4.18Å; A52-F72 HydrophobicContact CB-CE1 3.65Å; A52-F72 HydrophobicContact CB-CE2 4.21Å; A52-F72 HydrophobicContact CB-CZ 3.42Å; A52-F72 VanDerWaalsContact CB-CZ 3.42Å; F68-F72 AromaticContact CD2-CD2 3.83Å; F68-F72 HydrophobicContact CD2-CD2 3.83Å; F68-F72 AromaticContact CD2-CE2 3.94Å; F68-F72 HydrophobicContact CD2-CE2 3.94Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 HydrophobicContact CE1-CD2 4.44Å; F68-F72 HydrophobicContact CE1-CG 4.45Å; F68-F72 AromaticContact CE2-CD2 3.6Å; F68-F72 HydrophobicContact CE2-CD2 3.6Å; F68-F72 AromaticContact CE2-CE2 3.66Å; F68-F72 HydrophobicContact CE2-CE2 3.66Å; F68-F72 HydrophobicContact CE2-CG 4.12Å; F68-F72 HydrophobicContact CE2-CZ 4.21Å; F68-F72 HydrophobicContact CG-CD2 4.33Å; F68-F72 HydrophobicContact CZ-CB 4.36Å; F68-F72 HydrophobicContact CZ-CD1 4.43Å; F68-F72 AromaticContact CZ-CD2 3.92Å; F68-F72 HydrophobicContact CZ-CD2 3.92Å; F68-F72 HydrophobicContact CZ-CE2 4.34Å; F68-F72 AromaticContact CZ-CG 3.98Å; F68-F72 HydrophobicContact CZ-CG 3.98Å; F68-F72 WeakPolarHBondContact O-CD2 3.43Å; F68-F72 PolarHBondContact O-N 3.36Å; F68-F72 VanDerWaalsContact O-N 3.17Å; V69-F72 PolarHBondContact O-N 2.58Å
73F97.5Very high95.2Very high3 Ų350.8 Ų50.81%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-128150.8-177.5-66.2-101.2000112.5V15 F16 L21 F37 M40 S41 L42 R43 T49 F68 V69V15-F73 HydrophobicContact CG1-CE1 4.33Å; V15-F73 HydrophobicContact CG1-CZ 4.14Å; F16-F73 HydrophobicContact CE1-CE1 4.31Å; L21-F73 HydrophobicContact CD2-CE2 4.31Å; L21-F73 HydrophobicContact CD2-CZ 4Å; F37-F73 HydrophobicContact CE2-CD1 4.24Å; F37-F73 HydrophobicContact CE2-CD2 4.42Å; F37-F73 AromaticContact CE2-CE1 3.8Å; F37-F73 HydrophobicContact CE2-CE1 3.8Å; F37-F73 HydrophobicContact CE2-CE2 4.03Å; F37-F73 AromaticContact CE2-CZ 3.69Å; F37-F73 HydrophobicContact CE2-CZ 3.69Å; F37-F73 AromaticContact CZ-CE1 3.98Å; F37-F73 HydrophobicContact CZ-CE1 3.98Å; F37-F73 HydrophobicContact CZ-CE2 4.31Å; F37-F73 AromaticContact CZ-CZ 3.68Å; F37-F73 HydrophobicContact CZ-CZ 3.68Å; M40-F73 HydrophobicContact CB-CB 4.1Å; M40-F73 HydrophobicContact CB-CD1 3.7Å; M40-F73 HydrophobicContact CB-CG 4.31Å; M40-F73 HydrophobicContact CE-CB 3.61Å; M40-F73 HydrophobicContact SD-CB 4.07Å; M40-F73 HydrophobicContact SD-CG 4.45Å; S41-F73 CarbonylContact O-C 3.6Å; S41-F73 WeakPolarHBondContact O-CA 3.45Å; L42-F73 HydrophobicContact CD2-CD1 3.88Å; L42-F73 HydrophobicContact CD2-CE1 3.31Å; L42-F73 HydrophobicContact CD2-CE2 4.06Å; L42-F73 HydrophobicContact CD2-CG 4.47Å; L42-F73 HydrophobicContact CD2-CZ 3.41Å; L42-F73 VanDerWaalsContact CD2-CZ 3.41Å; L42-F73 HydrophobicContact CG-CE1 4.17Å; R43-F73 PolarHBondContact NE-O 3.25Å; R43-F73 PolarHBondContact NH2-O 2.98Å; T49-F73 HydrophobicContact CG2-CE2 4.04Å; T49-F73 HydrophobicContact CG2-CZ 4.25Å; F68-F73 HydrophobicContact CE1-CE2 4.24Å; V69-F73 HydrophobicContact CG1-CB 4.27Å; V69-F73 HydrophobicContact CG1-CD2 4.31Å; V69-F73 HydrophobicContact CG1-CG 4.48Å; V69-F73 WeakPolarHBondContact O-CB 3.35Å; V69-F73 PolarHBondContact O-N 3.37Å
74D96.2Very high95.2Very high48 Ų4854.3 Ų54.326%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-105.6154.6165.6-74.9-62.2000109.9M40 S41 R43M40-D74 WeakPolarHBondContact CA-O 3.23Å; M40-D74 WeakPolarHBondContact CB-O 3.4Å; S41-D74 PolarHBondContact N-O 3.15Å; S41-D74 VanDerWaalsContact N-O 3.17Å; S41-D74 PolarHBondContact O-N 2.79Å; S41-D74 WeakPolarHBondContact OG-CB 3.25Å; R43-D74 WeakPolarHBondContact CG-OD2 3.44Å; R43-D74 IonicContact CZ-OD1 3.91Å; R43-D74 IonicContact CZ-OD2 3.64Å; R43-D74 IonicContact NE-OD1 2.79Å; R43-D74 IonicContact NH1-OD1 3.23Å; R43-D74 PolarHBondContact NH1-OD1 2.78Å; R43-D74 IonicContact NH1-OD2 2.73Å; R43-D74 PolarHBondContact NH1-OD2 2.85Å; R43-D74 IonicContact NH2-OD1 3.48Å; R43-D74 PolarHBondContact NH2-OD1 3.44Å
75E95.2Very high95.2Very high118 Ų11853 Ų5355%0.55128%0.278SS*.  trans-62152.7-176.2-70-66.2137.800112.9H36 S78H36-E75 IonicContact CE1-OE2 3.65Å; H36-E75 PolarHBondContact CE1-OE2 3.23Å; H36-E75 IonicContact NE2-OE2 3.57Å; H36-E75 PolarHBondContact NE2-OE2 3.06Å; E75-S78 WeakPolarHBondContact O-CB 3.49Å; E75-S78 PolarHBondContact O-N 3.42Å; E75-S78 PolarHBondContact O-OG 3.28Å
76P94.3Very high95.2Very high34 Ų3458.9 Ų58.922%0.22131%0.314CS..THydrogen-bonded Turntrans-54.3140.3176.3-2838.2000113.3H36 D39 M40 S78 L149H36-P76 VanDerWaalsContact O-CG 3.32Å; H36-P76 WeakPolarHBondContact O-CG 3.49Å; D39-P76 HydrophobicContact CB-CB 3.91Å; D39-P76 HydrophobicContact CB-CG 4.18Å; M40-P76 HydrophobicContact CG-CG 4.12Å; P76-S78 VanDerWaalsContact C-N 3.28Å; P76-S78 PolarHBondContact O-N 3.25Å; P76-L149 HydrophobicContact CB-CD1 4.22Å
77G92.2Very high95.3Very high23 Ų2355 Ų5524%0.23730%0.298CS..THydrogen-bonded Turntrans84.5-2.9-17900000114.2E79 L80G77-E79 VanDerWaalsContact C-OE2 3.31Å; G77-E79 WeakPolarHBondContact CA-OE2 3.29Å; G77-E79 PolarHBondContact N-OE2 3.03Å; G77-E79 PolarHBondContact O-N 2.92Å; G77-L80 PolarHBondContact O-N 3.15Å; G77-L80 VanDerWaalsContact O-N 3.14Å
78S93.3Very high95.3Very high39 Ų3951.2 Ų51.227%0.27328%0.28SS..THydrogen-bonded Turntrans-59.8-22.3171.353.40000113S41 E75 P76 K122S41-S78 PolarHBondContact OG-OG 2.96Å; E75-S78 WeakPolarHBondContact O-CB 3.49Å; E75-S78 PolarHBondContact O-N 3.42Å; E75-S78 PolarHBondContact O-OG 3.28Å; P76-S78 VanDerWaalsContact C-N 3.28Å; P76-S78 PolarHBondContact O-N 3.25Å; S78-K122 WeakPolarHBondContact O-CD 3.39Å; S78-K122 WeakPolarHBondContact O-CE 3.32Å; S78-K122 PolarHBondContact O-NZ 2.94Å
79E94.4Very high95.1Very high1 Ų153.9 Ų53.91%0.00529%0.292CS..THydrogen-bonded Turntrans-80.5-9.5178.568.7-82.3-164.100114.5G77 K122 V125 Y132 L134 R194G77-E79 VanDerWaalsContact C-OE2 3.31Å; G77-E79 WeakPolarHBondContact CA-OE2 3.29Å; G77-E79 PolarHBondContact N-OE2 3.03Å; G77-E79 PolarHBondContact O-N 2.92Å; E79-K122 PolarHBondContact O-N 2.96Å; E79-K122 VanDerWaalsContact O-N 3.1Å; E79-V125 HydrophobicContact CB-CG2 3.69Å; E79-V125 WeakPolarHBondContact O-CG2 3.26Å; E79-Y132 HydrophobicContact CB-CD1 3.53Å; E79-Y132 HydrophobicContact CB-CE1 3.73Å; E79-Y132 HydrophobicContact CB-CG 4.49Å; E79-Y132 HydrophobicContact CG-CD1 4.4Å; E79-L134 HydrophobicContact CG-CB 4.12Å; E79-L134 HydrophobicContact CG-CD2 3.77Å; E79-L134 HydrophobicContact CG-CG 4.46Å; E79-R194 IonicContact OE1-CZ 3.84Å; E79-R194 VanDerWaalsContact OE1-CZ 3.26Å; E79-R194 IonicContact OE1-NH1 3.04Å; E79-R194 PolarHBondContact OE1-NH1 3.16Å; E79-R194 IonicContact OE1-NH2 3.84Å; E79-R194 PolarHBondContact OE1-NH2 3.24Å
80L96.1Very high94.6Very high12 Ų1255.4 Ų55.46%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-116.2152-177.8-58.9170.8000112.2G77 R119 K120 V121 K122 L134 F141 L149G77-L80 PolarHBondContact O-N 3.15Å; G77-L80 VanDerWaalsContact O-N 3.14Å; L80-R119 HydrophobicContact CB-CB 4.48Å; L80-R119 HydrophobicContact CD1-CB 4.29Å; L80-R119 HydrophobicContact CD1-CG 4.17Å; L80-R119 HydrophobicContact CD2-CB 4.45Å; L80-K120 WeakPolarHBondContact CA-O 3.3Å; L80-V121 HydrophobicContact CD2-CG2 4.48Å; L80-K122 WeakPolarHBondContact O-CE 3.41Å; L80-L134 HydrophobicContact CD2-CD2 3.67Å; L80-L134 HydrophobicContact CG-CD2 4.46Å; L80-F141 HydrophobicContact CD2-CE1 4.42Å; L80-F141 HydrophobicContact CD2-CZ 3.92Å; L80-L149 HydrophobicContact CD1-CB 4.1Å; L80-L149 WeakPolarHBondContact CD1-O 3.47Å
81E95.1Very high94.2Very high69 Ų6957.1 Ų57.132%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-120.2148166.962.6-172-166.800110.4R119 K120 K122E81-R119 CarbonylContact O-C 3.52Å; E81-R119 WeakPolarHBondContact O-CA 3.44Å; E81-K120 HydrophobicContact CG-CB 3.98Å; E81-K120 HydrophobicContact CG-CG 4.48Å; E81-K120 PolarHBondContact N-O 2.7Å; E81-K120 PolarHBondContact O-N 3.18Å; E81-K120 WeakPolarHBondContact OE1-CD 3.36Å; E81-K120 IonicContact OE1-NZ 3.62Å; E81-K120 PolarHBondContact OE1-NZ 3.09Å; E81-K122 HydrophobicContact CB-CG 4.13Å; E81-K122 HydrophobicContact CG-CG 4.31Å
82P95.4Very high94.1Very high105 Ų10553.4 Ų53.468%0.68228%0.284SS*.EExtended strand (participates in β ladder)trans-58.3150168.8-20.232.3000111
83C94.1Very high93.9Very high14 Ų1456.7 Ų56.710%0.09530%0.3CS..  trans-125.8151.6169.845.60000112.1C118 R119 K120 P140C83-C118 HydrophobicContact CB-CB 4.26Å; C83-C118 WeakPolarHBondContact CB-SG 3.45Å; C83-C118 PolarHBondContact N-O 3.48Å; C83-C118 VanDerWaalsContact O-CB 3.22Å; C83-C118 WeakPolarHBondContact O-CB 3.48Å; C83-C118 PolarHBondContact O-SG 2.76Å; C83-C118 VanDerWaalsContact O-SG 3.39Å; C83-C118 VanDerWaalsContact SG-CA 3.57Å; C83-C118 WeakPolarHBondContact SG-CB 3.25Å; C83-C118 CovalentContact SG-SG 2.04Å; C83-C118 PolarHBondContact SG-SG 3.05Å; C83-R119 PolarHBondContact SG-N 2.92Å; C83-R119 PolarHBondContact SG-O 3.42Å; C83-K120 HydrophobicContact CB-CB 4.25Å; C83-P140 HydrophobicContact CB-CB 4.35Å
84D91.8Very high93.8Very high141 Ų14157.4 Ų57.475%0.75431%0.306SS*.  trans-98.5110.6166.1-63.9-41.3000107.4V86D84-V86 PolarHBondContact O-N 3.48Å
85P95.3Very high93.8Very high14 Ų1455.3 Ų55.39%0.09130%0.295CS..  trans-61.4132177.8-10.722.1000110.3D87 W88 L115 C118 M168 T171P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.17Å; P85-W88 HydrophobicContact CB-CB 4.09Å; P85-W88 HydrophobicContact CG-CB 4.2Å; P85-W88 PolarHBondContact O-N 2.92Å; P85-L115 HydrophobicContact CG-CD2 4.32Å; P85-C118 HydrophobicContact CG-CB 4.12Å; P85-M168 HydrophobicContact CB-CE 3.43Å; P85-M168 VanDerWaalsContact CB-CE 3.43Å; P85-M168 HydrophobicContact CG-CE 3.65Å; P85-T171 HydrophobicContact CB-CG2 4.47Å; P85-T171 WeakPolarHBondContact CB-OG1 3.3Å
86V93.8Very high93.7Very high126 Ų12656 Ų5676%0.76430%0.296SS*.THydrogen-bonded Turntrans-64.9-23.1-170.8-64.60000114.2D84D84-V86 PolarHBondContact O-N 3.48Å
87D96.6Very high93.6Very high28 Ų2859.9 Ų59.915%0.1531%0.314CS..THydrogen-bonded Turntrans-109.77.4-177.158.5-3.2000112.7P85 M168 Y169 S170 T171P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.17Å; D87-M168 WeakPolarHBondContact OD2-CA 3.38Å; D87-Y169 PolarHBondContact OD2-N 3.46Å; D87-Y169 VanDerWaalsContact OD2-N 3.09Å; D87-S170 VanDerWaalsContact OD2-CA 3.3Å; D87-S170 WeakPolarHBondContact OD2-CA 3.24Å; D87-S170 VanDerWaalsContact OD2-CB 3.26Å; D87-S170 WeakPolarHBondContact OD2-CB 3.23Å; D87-S170 PolarHBondContact OD2-N 2.96Å; D87-T171 PolarHBondContact OD1-OG1 2.84Å; D87-T171 PolarHBondContact OD2-N 2.98Å
88W96.6Very high93.8Very high56 Ų5658.8 Ų58.821%0.21230%0.303CS..  trans-71.8131.9174.2-171.493.5000110.5P85 P90 H111 Q112 L115 M168P85-W88 HydrophobicContact CB-CB 4.09Å; P85-W88 HydrophobicContact CG-CB 4.2Å; P85-W88 PolarHBondContact O-N 2.92Å; W88-P90 HydrophobicContact CH2-CB 3.85Å; W88-P90 HydrophobicContact CZ3-CB 4.12Å; W88-H111 AromaticContact CD1-CE1 3.67Å; W88-H111 AromaticContact CD1-NE2 3.54Å; W88-H111 AromaticContact CE2-CD2 3.78Å; W88-H111 AromaticContact CE2-NE2 3.45Å; W88-H111 AromaticContact CZ2-CD2 3.89Å; W88-H111 AromaticContact CZ2-NE2 3.95Å; W88-H111 AromaticContact NE1-CD2 3.46Å; W88-H111 PolarHBondContact NE1-CD2 2.89Å; W88-H111 AromaticContact NE1-CE1 3.56Å; W88-H111 AromaticContact NE1-NE2 3.09Å; W88-H111 PolarHBondContact NE1-NE2 3.18Å; W88-H111 PolarHBondContact NE1-O 2.95Å; W88-H111 VanDerWaalsContact NE1-O 3.16Å; W88-Q112 HydrophobicContact CZ2-CG 4.19Å; W88-L115 HydrophobicContact CB-CD2 4.18Å; W88-L115 HydrophobicContact CD2-CD1 4Å; W88-L115 HydrophobicContact CD2-CD2 3.71Å; W88-L115 HydrophobicContact CD2-CG 3.95Å; W88-L115 HydrophobicContact CE3-CD1 4.15Å; W88-L115 HydrophobicContact CE3-CD2 4.19Å; W88-L115 HydrophobicContact CG-CD2 3.67Å; W88-L115 HydrophobicContact CG-CG 4.19Å; W88-L115 HydrophobicContact CH2-CD1 3.88Å; W88-L115 HydrophobicContact CZ2-CD1 3.72Å; W88-L115 HydrophobicContact CZ2-CG 4.2Å; W88-L115 HydrophobicContact CZ3-CD1 4.09Å; W88-M168 HydrophobicContact CB-CE 3.99Å; W88-M168 HydrophobicContact CG-CE 4.38Å
89H91.8Very high93.8Very high64 Ų6466 Ų6630%0.29632%0.324SS..  trans-141.8147.8171.964.3102.5000110.8R91 P92 H111 E167H89-R91 PolarHBondContact CE1-O 2.83Å; H89-R91 PolarHBondContact ND1-O 3.17Å; H89-R91 VanDerWaalsContact ND1-O 3.12Å; H89-R91 PolarHBondContact O-N 3.48Å; H89-P92 WeakPolarHBondContact CE1-CA 3.48Å; H89-H111 PolarHBondContact O-NE2 3.19Å; H89-E167 IonicContact CE1-OE2 3.29Å; H89-E167 PolarHBondContact CE1-OE2 3.36Å; H89-E167 IonicContact NE2-OE2 3.45Å; H89-E167 PolarHBondContact NE2-OE2 3.3Å
90P86.6Confident93.6Very high36 Ų3666.5 Ų66.523%0.23433%0.327CS..SBendtrans-67.3-13-165.324.9-35.6000115.5W88W88-P90 HydrophobicContact CH2-CB 3.85Å; W88-P90 HydrophobicContact CZ3-CB 4.12Å
91R87.1Confident93.1Very high147 Ų14768.4 Ų68.456%0.55534%0.339SS*.SBendtrans-140.882.7-175.4-72.4-174.1-85.5179-7.3110.8H89 E93H89-R91 PolarHBondContact CE1-O 2.83Å; H89-R91 PolarHBondContact ND1-O 3.17Å; H89-R91 VanDerWaalsContact ND1-O 3.12Å; H89-R91 PolarHBondContact O-N 3.48Å; R91-E93 PolarHBondContact O-N 3.45Å
92P94.4Very high92.6Very high5 Ų566.5 Ų66.53%0.03233%0.33CS..  trans-51.8129.4167.1-27.737.6000111H89 S94 F95 E167H89-P92 WeakPolarHBondContact CE1-CA 3.48Å; P92-S94 VanDerWaalsContact C-N 3.28Å; P92-F95 HydrophobicContact CB-CD1 4Å; P92-F95 HydrophobicContact CB-CD2 4.1Å; P92-F95 HydrophobicContact CB-CE1 4.1Å; P92-F95 HydrophobicContact CB-CE2 4.19Å; P92-F95 HydrophobicContact CB-CG 4Å; P92-F95 HydrophobicContact CB-CZ 4.18Å; P92-F95 HydrophobicContact CG-CD2 4.07Å; P92-F95 HydrophobicContact CG-CE1 4.35Å; P92-F95 HydrophobicContact CG-CE2 3.79Å; P92-F95 HydrophobicContact CG-CG 4.47Å; P92-F95 HydrophobicContact CG-CZ 3.94Å; P92-F95 PolarHBondContact O-N 2.6Å; P92-E167 WeakPolarHBondContact CA-OE2 3.38Å; P92-E167 HydrophobicContact CB-CG 4.4Å
93E94.9Very high92.4Very high107 Ų10761.5 Ų61.550%0.530%0.297SS..G310 helixtrans-67.7-35.1-179.7-76.9-70.4130.400110.7R91 F95 K96 E167R91-E93 PolarHBondContact O-N 3.45Å; E93-F95 PolarHBondContact O-N 2.73Å; E93-F95 VanDerWaalsContact O-N 3.1Å; E93-K96 VanDerWaalsContact O-CB 3.29Å; E93-K96 WeakPolarHBondContact O-CB 3.29Å; E93-K96 WeakPolarHBondContact O-CG 3.46Å; E93-K96 PolarHBondContact O-N 2.83Å; E93-K96 VanDerWaalsContact OE1-CE 3.29Å; E93-K96 WeakPolarHBondContact OE1-CE 3.38Å; E93-K96 IonicContact OE1-NZ 2.76Å; E93-K96 PolarHBondContact OE1-NZ 3.29Å; E93-K96 VanDerWaalsContact OE2-CE 3.23Å; E93-K96 WeakPolarHBondContact OE2-CE 3.5Å; E93-K96 IonicContact OE2-NZ 3.84Å; E93-K96 PolarHBondContact OE2-NZ 3.28Å; E93-E167 PolarHBondContact N-OE1 2.76Å; E93-E167 PolarHBondContact N-OE2 3.08Å
94S94.7Very high92.3Very high19 Ų1964 Ų6413%0.13331%0.305CS..G310 helixtrans-47.8-35.8171.667.50000113.1P92 K96 L97 A165 E167 L527P92-S94 VanDerWaalsContact C-N 3.28Å; S94-K96 PolarHBondContact O-N 2.89Å; S94-K96 VanDerWaalsContact O-N 3.14Å; S94-L97 VanDerWaalsContact O-CB 3.29Å; S94-L97 WeakPolarHBondContact O-CB 3.29Å; S94-L97 VanDerWaalsContact O-CG 3.32Å; S94-L97 WeakPolarHBondContact O-CG 3.15Å; S94-L97 PolarHBondContact O-N 3.49Å; S94-A165 PolarHBondContact OG-O 3.29Å; S94-E167 WeakPolarHBondContact CB-OE1 3.43Å; S94-E167 PolarHBondContact N-OE1 3.42Å; S94-L527 WeakPolarHBondContact O-CD2 3.31Å
95F95.6Very high92.1Very high4 Ų457.4 Ų57.42%0.01827%0.269CS..G310 helixtrans-69-13.9-177-68.21.2000113P92 E93 L97 I98 A107 Q108 H111 A165 L523 L527P92-F95 HydrophobicContact CB-CD1 4Å; P92-F95 HydrophobicContact CB-CD2 4.1Å; P92-F95 HydrophobicContact CB-CE1 4.1Å; P92-F95 HydrophobicContact CB-CE2 4.19Å; P92-F95 HydrophobicContact CB-CG 4Å; P92-F95 HydrophobicContact CB-CZ 4.18Å; P92-F95 HydrophobicContact CG-CD2 4.07Å; P92-F95 HydrophobicContact CG-CE1 4.35Å; P92-F95 HydrophobicContact CG-CE2 3.79Å; P92-F95 HydrophobicContact CG-CG 4.47Å; P92-F95 HydrophobicContact CG-CZ 3.94Å; P92-F95 PolarHBondContact O-N 2.6Å; E93-F95 PolarHBondContact O-N 2.73Å; E93-F95 VanDerWaalsContact O-N 3.1Å; F95-L97 PolarHBondContact O-N 2.77Å; F95-I98 HydrophobicContact CB-CD1 4.32Å; F95-I98 HydrophobicContact CD1-CD1 4.39Å; F95-I98 HydrophobicContact CG-CD1 4.39Å; F95-I98 WeakPolarHBondContact O-CB 3.43Å; F95-I98 PolarHBondContact O-N 3.17Å; F95-I98 VanDerWaalsContact O-N 3.1Å; F95-A107 HydrophobicContact CD2-CB 3.94Å; F95-A107 HydrophobicContact CE2-CB 3.93Å; F95-A107 WeakPolarHBondContact CE2-O 3.49Å; F95-A107 HydrophobicContact CG-CB 4.27Å; F95-A107 HydrophobicContact CZ-CB 4.26Å; F95-Q108 HydrophobicContact CD2-CG 4Å; F95-H111 HydrophobicContact CE2-CB 3.67Å; F95-H111 HydrophobicContact CZ-CB 3.91Å; F95-A165 WeakPolarHBondContact CE1-O 3.23Å; F95-L523 HydrophobicContact CE1-CD2 4.09Å; F95-L523 HydrophobicContact CE2-CD2 4.41Å; F95-L523 HydrophobicContact CZ-CD2 3.65Å; F95-L527 HydrophobicContact CD1-CD2 3.98Å
96K93Very high91.9Very high132 Ų13256.8 Ų56.857%0.57427%0.265SS*.G310 helixtrans-63.8-20.9171.2-65.5178.8-178.1172.10112.7E93 S94 I98E93-K96 VanDerWaalsContact O-CB 3.29Å; E93-K96 WeakPolarHBondContact O-CB 3.29Å; E93-K96 WeakPolarHBondContact O-CG 3.46Å; E93-K96 PolarHBondContact O-N 2.83Å; E93-K96 VanDerWaalsContact OE1-CE 3.29Å; E93-K96 WeakPolarHBondContact OE1-CE 3.38Å; E93-K96 IonicContact OE1-NZ 2.76Å; E93-K96 PolarHBondContact OE1-NZ 3.29Å; E93-K96 VanDerWaalsContact OE2-CE 3.23Å; E93-K96 WeakPolarHBondContact OE2-CE 3.5Å; E93-K96 IonicContact OE2-NZ 3.84Å; E93-K96 PolarHBondContact OE2-NZ 3.28Å; S94-K96 PolarHBondContact O-N 2.89Å; S94-K96 VanDerWaalsContact O-N 3.14Å; K96-I98 PolarHBondContact O-N 2.74Å
97L93.4Very high91.9Very high115 Ų11550.8 Ų50.860%0.60223%0.229SC*.G310 helixtrans-69.9-19.7174.7-60.6174.7000112.9S94 F95 R99 G530 H531S94-L97 VanDerWaalsContact O-CB 3.29Å; S94-L97 WeakPolarHBondContact O-CB 3.29Å; S94-L97 VanDerWaalsContact O-CG 3.32Å; S94-L97 WeakPolarHBondContact O-CG 3.15Å; S94-L97 PolarHBondContact O-N 3.49Å; F95-L97 PolarHBondContact O-N 2.77Å; L97-R99 PolarHBondContact O-N 3.42Å; L97-G530 CarbonylContact O-C 3.57Å; L97-H531 PolarHBondContact O-N 3.16Å
98I95.5Very high91.7Very high0 Ų050.4 Ų50.40%023%0.226CC..  trans-78.8108.8175.9-53.7168.8000107.6F95 K96 R104 A107 L526 L527F95-I98 HydrophobicContact CB-CD1 4.32Å; F95-I98 HydrophobicContact CD1-CD1 4.39Å; F95-I98 HydrophobicContact CG-CD1 4.39Å; F95-I98 WeakPolarHBondContact O-CB 3.43Å; F95-I98 PolarHBondContact O-N 3.17Å; F95-I98 VanDerWaalsContact O-N 3.1Å; K96-I98 PolarHBondContact O-N 2.74Å; I98-R104 HydrophobicContact CB-CB 4.19Å; I98-R104 HydrophobicContact CB-CG 4.42Å; I98-R104 HydrophobicContact CG2-CB 4.13Å; I98-R104 PolarHBondContact O-NE 2.88Å; I98-R104 PolarHBondContact O-NH2 2.01Å; I98-A107 HydrophobicContact CD1-CB 3.51Å; I98-L526 HydrophobicContact CD1-CB 3.95Å; I98-L526 HydrophobicContact CG1-CB 4.41Å; I98-L527 HydrophobicContact CD1-CD2 4.39Å; I98-L527 HydrophobicContact CG1-CD2 4.26Å
99R93.6Very high91.4Very high191 Ų19149 Ų4972%0.72122%0.222SC*.  trans-70.8-45.9-173.9-178.9-177.6174.3-174-2.2112.2L97 R104 G530L97-R99 PolarHBondContact O-N 3.42Å; R99-R104 PolarHBondContact O-NH2 2.84Å; R99-R104 VanDerWaalsContact O-NH2 3.11Å; R99-G530 WeakPolarHBondContact CB-O 2.89Å; R99-G530 PolarHBondContact N-O 3.41Å
100D90.2Very high91.6Very high12 Ų1245.9 Ų45.96%0.06421%0.208CC..SBendtrans-69.1124.7-179-176.5-64000110.5Y102 Y103 R104 L533 T534 V535D100-Y102 PolarHBondContact O-N 3.07Å; D100-Y102 WeakPolarHBondContact OD1-CA 3.22Å; D100-Y102 WeakPolarHBondContact OD1-CB 3.44Å; D100-Y102 PolarHBondContact OD1-N 3.41Å; D100-Y103 HydrophobicContact CB-CD2 4.03Å; D100-Y103 PolarHBondContact O-N 3.46Å; D100-Y103 PolarHBondContact OD1-N 2.84Å; D100-Y103 VanDerWaalsContact OD1-N 3.08Å; D100-R104 WeakPolarHBondContact O-CB 2.99Å; D100-R104 PolarHBondContact O-N 2.9Å; D100-L533 WeakPolarHBondContact CB-O 3.46Å; D100-T534 WeakPolarHBondContact OD2-CA 3.26Å; D100-T534 WeakPolarHBondContact OD2-CG2 3.33Å; D100-V535 PolarHBondContact OD2-N 3.11Å
101P85Confident92Very high51 Ų5144.2 Ų44.233%0.33120%0.197SC..Hα-helixtrans-70.5-28.9-174.730.6-36.6000112.9R104 L105 L579P101-R104 PolarHBondContact O-N 3.49Å; P101-L105 WeakPolarHBondContact O-CB 3.31Å; P101-L105 PolarHBondContact O-N 3.1Å; P101-L579 HydrophobicContact CB-CD2 3.87Å; P101-L579 HydrophobicContact CG-CD2 3.97Å
102Y84.5Confident92.3Very high29 Ų2939.7 Ų39.711%0.11418%0.182CC..Hα-helixtrans-69.5-44.3175.8-65.3-79.6000110.9D100 R104 L105 W106 V535 I538 F542 L579D100-Y102 PolarHBondContact O-N 3.07Å; D100-Y102 WeakPolarHBondContact OD1-CA 3.22Å; D100-Y102 WeakPolarHBondContact OD1-CB 3.44Å; D100-Y102 PolarHBondContact OD1-N 3.41Å; Y102-R104 VanDerWaalsContact C-N 3.31Å; Y102-L105 PolarHBondContact O-N 3.36Å; Y102-W106 WeakPolarHBondContact O-CB 3.38Å; Y102-W106 PolarHBondContact O-N 3.25Å; Y102-V535 HydrophobicContact CD2-CG2 3.91Å; Y102-V535 HydrophobicContact CG-CG2 4.45Å; Y102-I538 HydrophobicContact CE2-CG2 4.05Å; Y102-F542 HydrophobicContact CE1-CB 4.12Å; Y102-L579 HydrophobicContact CD1-CD1 3.55Å; Y102-L579 HydrophobicContact CD1-CD2 3.96Å; Y102-L579 HydrophobicContact CD1-CG 4.31Å; Y102-L579 HydrophobicContact CD2-CD2 4.37Å; Y102-L579 HydrophobicContact CE1-CB 4.18Å; Y102-L579 HydrophobicContact CE1-CD1 3.73Å; Y102-L579 HydrophobicContact CE1-CD2 3.68Å; Y102-L579 HydrophobicContact CE1-CG 4.09Å; Y102-L579 HydrophobicContact CE2-CD2 4.15Å; Y102-L579 HydrophobicContact CG-CD1 4.29Å; Y102-L579 HydrophobicContact CG-CD2 4.27Å
103Y91.3Very high92.2Very high0 Ų040.7 Ų40.70%019%0.186CC..Hα-helixtrans-67.4-33.5174.5-79-36.1000112.6D100 W106 A107 E478 F481 L526 L533 V535D100-Y103 HydrophobicContact CB-CD2 4.03Å; D100-Y103 PolarHBondContact O-N 3.46Å; D100-Y103 PolarHBondContact OD1-N 2.84Å; D100-Y103 VanDerWaalsContact OD1-N 3.08Å; Y103-W106 AromaticContact CD1-CE3 3.76Å; Y103-W106 HydrophobicContact CD1-CE3 3.76Å; Y103-W106 HydrophobicContact CD1-CZ3 4.22Å; Y103-W106 HydrophobicContact CE1-CE3 4.17Å; Y103-W106 HydrophobicContact CE1-CZ3 4.26Å; Y103-W106 PolarHBondContact O-N 3.35Å; Y103-A107 WeakPolarHBondContact O-CB 3.42Å; Y103-A107 PolarHBondContact O-N 3.29Å; Y103-E478 WeakPolarHBondContact OH-CG 3.5Å; Y103-F481 HydrophobicContact CD1-CD1 4.44Å; Y103-F481 HydrophobicContact CD1-CG 4.34Å; Y103-F481 HydrophobicContact CE1-CB 3.98Å; Y103-F481 AromaticContact CE1-CD1 3.89Å; Y103-F481 HydrophobicContact CE1-CD1 3.89Å; Y103-F481 AromaticContact CE1-CG 3.91Å; Y103-F481 HydrophobicContact CE1-CG 3.91Å; Y103-L526 HydrophobicContact CD1-CD2 4.03Å; Y103-L526 HydrophobicContact CD2-CD2 4.41Å; Y103-L526 HydrophobicContact CG-CD2 3.84Å; Y103-L533 HydrophobicContact CD2-CB 3.9Å; Y103-L533 HydrophobicContact CE2-CB 3.94Å; Y103-V535 HydrophobicContact CD1-CG1 3.98Å; Y103-V535 HydrophobicContact CD2-CG1 3.97Å; Y103-V535 HydrophobicContact CE1-CG1 3.75Å; Y103-V535 HydrophobicContact CE2-CG1 3.71Å; Y103-V535 HydrophobicContact CG-CG1 4.11Å
104R92.2Very high92.3Very high68 Ų6835.6 Ų35.626%0.25716%0.162SC..Hα-helixtrans-65.5-45.3173-167-174.6-56140.94.1111.6I98 R99 D100 P101 Y102 W106 A107 Q108I98-R104 HydrophobicContact CB-CB 4.19Å; I98-R104 HydrophobicContact CB-CG 4.42Å; I98-R104 HydrophobicContact CG2-CB 4.13Å; I98-R104 PolarHBondContact O-NE 2.88Å; I98-R104 PolarHBondContact O-NH2 2.01Å; R99-R104 PolarHBondContact O-NH2 2.84Å; R99-R104 VanDerWaalsContact O-NH2 3.11Å; D100-R104 WeakPolarHBondContact O-CB 2.99Å; D100-R104 PolarHBondContact O-N 2.9Å; P101-R104 PolarHBondContact O-N 3.49Å; Y102-R104 VanDerWaalsContact C-N 3.31Å; R104-W106 VanDerWaalsContact C-N 3.33Å; R104-W106 PolarHBondContact O-N 2.85Å; R104-A107 WeakPolarHBondContact O-CB 3.35Å; R104-A107 PolarHBondContact O-N 3.14Å; R104-Q108 WeakPolarHBondContact O-CG 3.48Å; R104-Q108 PolarHBondContact O-N 2.92Å; R104-Q108 VanDerWaalsContact O-N 3.07Å
105L87.3Confident92.3Very high1 Ų137.4 Ų37.41%0.00517%0.17CC..Hα-helixtrans-60.5-45.1173.9178.369.2000110.7P101 Y102 A107 Q108 M109 F542 L579 M582 E583 I586P101-L105 WeakPolarHBondContact O-CB 3.31Å; P101-L105 PolarHBondContact O-N 3.1Å; Y102-L105 PolarHBondContact O-N 3.36Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.43Å; L105-Q108 WeakPolarHBondContact O-CB 3.46Å; L105-Q108 PolarHBondContact O-N 2.94Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; L105-M109 HydrophobicContact CG-CG 4.47Å; L105-M109 HydrophobicContact CG-SD 4.31Å; L105-M109 WeakPolarHBondContact O-CG 3.29Å; L105-M109 PolarHBondContact O-N 3.03Å; L105-F542 HydrophobicContact CD2-CD2 4.15Å; L105-F542 HydrophobicContact CD2-CE2 3.96Å; L105-F542 HydrophobicContact CD2-CZ 4.37Å; L105-L579 HydrophobicContact CB-CD1 4.07Å; L105-L579 HydrophobicContact CD2-CD1 3.43Å; L105-L579 VanDerWaalsContact CD2-CD1 3.43Å; L105-L579 HydrophobicContact CG-CD1 4.33Å; L105-M582 HydrophobicContact CD2-CB 4.02Å; L105-E583 HydrophobicContact CB-CG 4.31Å; L105-E583 HydrophobicContact CD1-CB 4.38Å; L105-E583 HydrophobicContact CD1-CG 3.69Å; L105-E583 HydrophobicContact CG-CG 4.47Å; L105-I586 HydrophobicContact CD1-CD1 3.31Å; L105-I586 HydrophobicContact CD1-CG1 4.26Å; L105-I586 HydrophobicContact CG-CD1 4.36Å
106W90.9Very high92.1Very high1 Ų143.2 Ų43.20%0.00420%0.195CC..Hα-helixtrans-61.3-41.6178.2-176.746.9000112.4Y102 Y103 R104 Q108 M109 I110 L477 N480 F481 F484 M491 A522 L526Y102-W106 WeakPolarHBondContact O-CB 3.38Å; Y102-W106 PolarHBondContact O-N 3.25Å; Y103-W106 AromaticContact CD1-CE3 3.76Å; Y103-W106 HydrophobicContact CD1-CE3 3.76Å; Y103-W106 HydrophobicContact CD1-CZ3 4.22Å; Y103-W106 HydrophobicContact CE1-CE3 4.17Å; Y103-W106 HydrophobicContact CE1-CZ3 4.26Å; Y103-W106 PolarHBondContact O-N 3.35Å; R104-W106 VanDerWaalsContact C-N 3.33Å; R104-W106 PolarHBondContact O-N 2.85Å; W106-Q108 VanDerWaalsContact C-N 3.31Å; W106-Q108 PolarHBondContact O-N 3.39Å; W106-M109 PolarHBondContact O-N 3.15Å; W106-M109 VanDerWaalsContact O-N 3.12Å; W106-I110 HydrophobicContact CD2-CD1 3.86Å; W106-I110 VanDerWaalsContact CE2-CD1 3.47Å; W106-I110 HydrophobicContact CE3-CD1 4.42Å; W106-I110 HydrophobicContact CG-CD1 4.28Å; W106-I110 HydrophobicContact CH2-CD1 4.29Å; W106-I110 HydrophobicContact CZ2-CD1 3.72Å; W106-I110 WeakPolarHBondContact O-CG1 3.39Å; W106-I110 PolarHBondContact O-N 3.02Å; W106-L477 HydrophobicContact CH2-CD2 4.1Å; W106-L477 HydrophobicContact CZ3-CB 4.42Å; W106-L477 HydrophobicContact CZ3-CD2 3.89Å; W106-N480 HydrophobicContact CH2-CB 3.62Å; W106-N480 HydrophobicContact CZ2-CB 3.8Å; W106-F481 HydrophobicContact CB-CD2 3.88Å; W106-F481 HydrophobicContact CB-CE2 3.76Å; W106-F481 AromaticContact CD1-CD2 3.84Å; W106-F481 HydrophobicContact CD2-CB 4.2Å; W106-F481 AromaticContact CD2-CD2 3.52Å; W106-F481 HydrophobicContact CD2-CD2 3.52Å; W106-F481 HydrophobicContact CD2-CE2 4.33Å; W106-F481 HydrophobicContact CD2-CG 4.25Å; W106-F481 AromaticContact CE2-CD2 3.92Å; W106-F481 HydrophobicContact CE3-CB 4.08Å; W106-F481 AromaticContact CE3-CD2 3.96Å; W106-F481 HydrophobicContact CE3-CD2 3.96Å; W106-F481 HydrophobicContact CE3-CG 4.31Å; W106-F481 AromaticContact CG-CD2 3.48Å; W106-F481 HydrophobicContact CG-CD2 3.48Å; W106-F481 VanDerWaalsContact CG-CD2 3.48Å; W106-F481 AromaticContact CG-CE2 3.84Å; W106-F481 HydrophobicContact CG-CE2 3.84Å; W106-F481 HydrophobicContact CH2-CB 4.04Å; W106-F481 HydrophobicContact CZ2-CB 4.13Å; W106-F481 HydrophobicContact CZ3-CB 3.98Å; W106-F484 AromaticContact CD1-CD1 3.53Å; W106-F484 AromaticContact CD1-CD2 4Å; W106-F484 AromaticContact CD1-CE1 3.65Å; W106-F484 AromaticContact CD1-CG 3.72Å; W106-F484 AromaticContact CD1-CZ 3.9Å; W106-F484 AromaticContact NE1-CD1 3.61Å; W106-F484 AromaticContact NE1-CD2 3.49Å; W106-F484 AromaticContact NE1-CE2 3.96Å; W106-F484 AromaticContact NE1-CG 3.28Å; W106-F484 VanDerWaalsContact NE1-CG 3.28Å; W106-M491 HydrophobicContact CZ2-CE 3.89Å; W106-M491 HydrophobicContact CZ2-SD 3.97Å; W106-A522 HydrophobicContact CH2-CB 3.99Å; W106-A522 HydrophobicContact CZ2-CB 4.45Å; W106-L526 HydrophobicContact CE3-CD1 3.66Å; W106-L526 HydrophobicContact CE3-CD2 4.36Å; W106-L526 HydrophobicContact CE3-CG 4.47Å; W106-L526 HydrophobicContact CZ3-CD1 3.85Å; W106-L526 HydrophobicContact CZ3-CD2 4.37Å; W106-L526 HydrophobicContact CZ3-CG 4.34Å
107A95.5Very high92.3Very high0 Ų037.4 Ų37.40%017%0.17CC..Hα-helixtrans-57.4-44.1172.300000111.6F95 I98 Y103 R104 L105 M109 I110 H111 L523 L526F95-A107 HydrophobicContact CD2-CB 3.94Å; F95-A107 HydrophobicContact CE2-CB 3.93Å; F95-A107 WeakPolarHBondContact CE2-O 3.49Å; F95-A107 HydrophobicContact CG-CB 4.27Å; F95-A107 HydrophobicContact CZ-CB 4.26Å; I98-A107 HydrophobicContact CD1-CB 3.51Å; Y103-A107 WeakPolarHBondContact O-CB 3.42Å; Y103-A107 PolarHBondContact O-N 3.29Å; R104-A107 WeakPolarHBondContact O-CB 3.35Å; R104-A107 PolarHBondContact O-N 3.14Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.43Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-M109 PolarHBondContact O-N 3.26Å; A107-I110 PolarHBondContact O-N 3.02Å; A107-H111 WeakPolarHBondContact O-CB 3.36Å; A107-H111 PolarHBondContact O-N 2.7Å; A107-L523 HydrophobicContact CB-CD2 3.89Å; A107-L526 HydrophobicContact CB-CD1 3.99Å
108Q92.2Very high92.5Very high21 Ų2132 Ų3210%0.09814%0.142CC..Hα-helixtrans-62.3-40.2174.7-67.1173.49.500112.3F95 R104 L105 W106 H111 Q112 I586F95-Q108 HydrophobicContact CD2-CG 4Å; R104-Q108 WeakPolarHBondContact O-CG 3.48Å; R104-Q108 PolarHBondContact O-N 2.92Å; R104-Q108 VanDerWaalsContact O-N 3.07Å; L105-Q108 WeakPolarHBondContact O-CB 3.46Å; L105-Q108 PolarHBondContact O-N 2.94Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; W106-Q108 VanDerWaalsContact C-N 3.31Å; W106-Q108 PolarHBondContact O-N 3.39Å; Q108-H111 PolarHBondContact O-N 3.32Å; Q108-Q112 PolarHBondContact O-N 3.42Å; Q108-Q112 VanDerWaalsContact O-N 3.09Å; Q108-I586 HydrophobicContact CB-CD1 3.95Å; Q108-I586 HydrophobicContact CB-CG2 4.13Å
109M90.3Very high92.6Very high25 Ų2534.7 Ų34.712%0.12315%0.152CC..Hα-helixtrans-67.4-36.4176.8-65.7179.585.300112.6L105 W106 A107 F484 I586L105-M109 HydrophobicContact CG-CG 4.47Å; L105-M109 HydrophobicContact CG-SD 4.31Å; L105-M109 WeakPolarHBondContact O-CG 3.29Å; L105-M109 PolarHBondContact O-N 3.03Å; W106-M109 PolarHBondContact O-N 3.15Å; W106-M109 VanDerWaalsContact O-N 3.12Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-M109 PolarHBondContact O-N 3.26Å; M109-F484 HydrophobicContact CB-CZ 3.79Å; M109-F484 HydrophobicContact CE-CE1 3.8Å; M109-F484 HydrophobicContact CE-CZ 3.6Å; M109-F484 HydrophobicContact CG-CZ 4.38Å; M109-F484 HydrophobicContact SD-CE1 3.67Å; M109-F484 HydrophobicContact SD-CZ 3.72Å; M109-I586 HydrophobicContact CG-CD1 3.59Å
110I95.2Very high92.7Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-67.9-43.1172.8-66.8169.5000110.1W106 A107 Q112 K113 M491 N519 A522 L523W106-I110 HydrophobicContact CD2-CD1 3.86Å; W106-I110 VanDerWaalsContact CE2-CD1 3.47Å; W106-I110 HydrophobicContact CE3-CD1 4.42Å; W106-I110 HydrophobicContact CG-CD1 4.28Å; W106-I110 HydrophobicContact CH2-CD1 4.29Å; W106-I110 HydrophobicContact CZ2-CD1 3.72Å; W106-I110 WeakPolarHBondContact O-CG1 3.39Å; W106-I110 PolarHBondContact O-N 3.02Å; A107-I110 PolarHBondContact O-N 3.02Å; I110-Q112 VanDerWaalsContact C-N 3.26Å; I110-Q112 PolarHBondContact O-N 3.44Å; I110-K113 WeakPolarHBondContact O-CA 3.07Å; I110-K113 WeakPolarHBondContact O-CB 3.02Å; I110-K113 PolarHBondContact O-N 3.26Å; I110-M491 HydrophobicContact CD1-CE 3.97Å; I110-M491 HydrophobicContact CD1-SD 4.5Å; I110-M491 HydrophobicContact CG1-CE 4.43Å; I110-N519 HydrophobicContact CG2-CB 3.57Å; I110-A522 HydrophobicContact CD1-CB 3.84Å; I110-L523 HydrophobicContact CB-CD2 4.17Å; I110-L523 HydrophobicContact CB-CG 4.39Å; I110-L523 HydrophobicContact CG2-CD1 3.89Å; I110-L523 HydrophobicContact CG2-CD2 4.16Å; I110-L523 HydrophobicContact CG2-CG 3.82Å
111H95.6Very high93Very high1 Ų129.8 Ų29.81%0.00514%0.136CC..Hα-helixtrans-59.1-35178.7177.372000113.1W88 H89 F95 A107 Q108 K113 W114 S166W88-H111 AromaticContact CD1-CE1 3.67Å; W88-H111 AromaticContact CD1-NE2 3.54Å; W88-H111 AromaticContact CE2-CD2 3.78Å; W88-H111 AromaticContact CE2-NE2 3.45Å; W88-H111 AromaticContact CZ2-CD2 3.89Å; W88-H111 AromaticContact CZ2-NE2 3.95Å; W88-H111 AromaticContact NE1-CD2 3.46Å; W88-H111 PolarHBondContact NE1-CD2 2.89Å; W88-H111 AromaticContact NE1-CE1 3.56Å; W88-H111 AromaticContact NE1-NE2 3.09Å; W88-H111 PolarHBondContact NE1-NE2 3.18Å; W88-H111 PolarHBondContact NE1-O 2.95Å; W88-H111 VanDerWaalsContact NE1-O 3.16Å; H89-H111 PolarHBondContact O-NE2 3.19Å; F95-H111 HydrophobicContact CE2-CB 3.67Å; F95-H111 HydrophobicContact CZ-CB 3.91Å; A107-H111 WeakPolarHBondContact O-CB 3.36Å; A107-H111 PolarHBondContact O-N 2.7Å; Q108-H111 PolarHBondContact O-N 3.32Å; H111-K113 PolarHBondContact O-N 3.35Å; H111-W114 AromaticContact ND1-CD1 3.66Å; H111-W114 VanDerWaalsContact O-CD1 3.25Å; H111-W114 PolarHBondContact O-N 2.89Å; H111-S166 WeakPolarHBondContact ND1-CB 3.04Å; H111-S166 PolarHBondContact ND1-OG 3.48Å; H111-S166 VanDerWaalsContact ND1-OG 3.11Å
112Q92.1Very high93.5Very high51 Ų5130.9 Ų30.924%0.23814%0.136CC..THydrogen-bonded Turntrans-62.5-23.5171.9-74.2-177.6-5.100113.5W88 Q108 I110 W114 L115W88-Q112 HydrophobicContact CZ2-CG 4.19Å; Q108-Q112 PolarHBondContact O-N 3.42Å; Q108-Q112 VanDerWaalsContact O-N 3.09Å; I110-Q112 VanDerWaalsContact C-N 3.26Å; I110-Q112 PolarHBondContact O-N 3.44Å; Q112-W114 PolarHBondContact O-N 3.26Å; Q112-L115 PolarHBondContact O-N 3.36Å
113K94.1Very high93.9Very high26 Ų2635.1 Ų35.111%0.11316%0.157CC..Hα-helixtrans-69.1-21.9179.1-61.4178.2175.8-70.50112.6I110 H111 L115 K116 L117 G489 M491I110-K113 WeakPolarHBondContact O-CA 3.07Å; I110-K113 WeakPolarHBondContact O-CB 3.02Å; I110-K113 PolarHBondContact O-N 3.26Å; H111-K113 PolarHBondContact O-N 3.35Å; K113-L115 VanDerWaalsContact C-N 3.26Å; K113-L115 PolarHBondContact O-N 3.42Å; K113-K116 WeakPolarHBondContact O-CB 3.49Å; K113-K116 PolarHBondContact O-N 2.88Å; K113-L117 WeakPolarHBondContact O-CG 3.22Å; K113-L117 PolarHBondContact O-N 2.96Å; K113-G489 WeakPolarHBondContact CE-O 3.23Å; K113-G489 PolarHBondContact NZ-O 3.46Å; K113-M491 HydrophobicContact CD-CG 4.12Å
114W96.6Very high94.1Very high0 Ų038.1 Ų38.10%017%0.173CC..Hα-helixtrans-59.2-38.5175.8-60.8134.8000112.2H111 Q112 K116 L117 C118 I142 I159 L163 S166 M168 N519 L523H111-W114 AromaticContact ND1-CD1 3.66Å; H111-W114 VanDerWaalsContact O-CD1 3.25Å; H111-W114 PolarHBondContact O-N 2.89Å; Q112-W114 PolarHBondContact O-N 3.26Å; W114-K116 VanDerWaalsContact C-N 3.31Å; W114-K116 PolarHBondContact O-N 2.89Å; W114-L117 HydrophobicContact CE3-CD1 4.32Å; W114-L117 HydrophobicContact CZ3-CD1 4.32Å; W114-L117 PolarHBondContact O-N 3.15Å; W114-C118 WeakPolarHBondContact O-CB 3.35Å; W114-C118 PolarHBondContact O-N 2.91Å; W114-I142 HydrophobicContact CE3-CG1 4.46Å; W114-I142 HydrophobicContact CE3-CG2 3.66Å; W114-I142 HydrophobicContact CZ3-CG2 3.68Å; W114-I159 HydrophobicContact CZ3-CG2 4.46Å; W114-L163 HydrophobicContact CD2-CD2 4.18Å; W114-L163 HydrophobicContact CG-CD2 4.3Å; W114-S166 PolarHBondContact NE1-OG 2.94Å; W114-M168 HydrophobicContact CB-CE 4.31Å; W114-M168 HydrophobicContact CB-SD 4.17Å; W114-M168 HydrophobicContact CG-SD 4.1Å; W114-N519 HydrophobicContact CH2-CB 3.77Å; W114-N519 HydrophobicContact CZ2-CB 4.13Å; W114-N519 HydrophobicContact CZ3-CB 4.31Å; W114-L523 HydrophobicContact CZ2-CD1 3.89Å
115L94.2Very high94.2Very high58 Ų5834.9 Ų34.930%0.30416%0.16SC..Hα-helixtrans-59.2-41.7172.7-61.5179000111.8P85 W88 Q112 K113 L117P85-L115 HydrophobicContact CG-CD2 4.32Å; W88-L115 HydrophobicContact CB-CD2 4.18Å; W88-L115 HydrophobicContact CD2-CD1 4Å; W88-L115 HydrophobicContact CD2-CD2 3.71Å; W88-L115 HydrophobicContact CD2-CG 3.95Å; W88-L115 HydrophobicContact CE3-CD1 4.15Å; W88-L115 HydrophobicContact CE3-CD2 4.19Å; W88-L115 HydrophobicContact CG-CD2 3.67Å; W88-L115 HydrophobicContact CG-CG 4.19Å; W88-L115 HydrophobicContact CH2-CD1 3.88Å; W88-L115 HydrophobicContact CZ2-CD1 3.72Å; W88-L115 HydrophobicContact CZ2-CG 4.2Å; W88-L115 HydrophobicContact CZ3-CD1 4.09Å; Q112-L115 PolarHBondContact O-N 3.36Å; K113-L115 VanDerWaalsContact C-N 3.26Å; K113-L115 PolarHBondContact O-N 3.42Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.48Å
116K92.3Very high94.4Very high126 Ų12638.5 Ų38.555%0.54818%0.179SC..Hα-helixtrans-69.6-30.3179.3-171.3-177.8175.2-172.30112.4K113 W114 R119 E513K113-K116 WeakPolarHBondContact O-CB 3.49Å; K113-K116 PolarHBondContact O-N 2.88Å; W114-K116 VanDerWaalsContact C-N 3.31Å; W114-K116 PolarHBondContact O-N 2.89Å; K116-R119 PolarHBondContact O-NH1 3.12Å; K116-R119 PolarHBondContact O-NH2 3.27Å; K116-E513 IonicContact NZ-OE1 3.37Å; K116-E513 PolarHBondContact NZ-OE1 2.73Å
117L96.4Very high94.6Very high9 Ų944.6 Ų44.65%0.04721%0.208CC..Hα-helixtrans-96.3-9.9-175.3-63.3174.8000113.7K113 W114 L115 R119 I142 V143K113-L117 WeakPolarHBondContact O-CG 3.22Å; K113-L117 PolarHBondContact O-N 2.96Å; W114-L117 HydrophobicContact CE3-CD1 4.32Å; W114-L117 HydrophobicContact CZ3-CD1 4.32Å; W114-L117 PolarHBondContact O-N 3.15Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.48Å; L117-R119 PolarHBondContact O-N 3.42Å; L117-I142 HydrophobicContact CB-CG2 3.83Å; L117-I142 HydrophobicContact CD1-CG2 4.49Å; L117-V143 HydrophobicContact CB-CG2 4.43Å; L117-V143 HydrophobicContact CD2-CG2 4.18Å; L117-V143 WeakPolarHBondContact O-CG2 3.32Å; L117-V143 PolarHBondContact O-N 3.11Å
118C97.5Very high94.5Very high2 Ų247.3 Ų47.31%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-70125.6177-165.20000111.2C83 P85 W114 I142C83-C118 HydrophobicContact CB-CB 4.26Å; C83-C118 WeakPolarHBondContact CB-SG 3.45Å; C83-C118 PolarHBondContact N-O 3.48Å; C83-C118 VanDerWaalsContact O-CB 3.22Å; C83-C118 WeakPolarHBondContact O-CB 3.48Å; C83-C118 PolarHBondContact O-SG 2.76Å; C83-C118 VanDerWaalsContact O-SG 3.39Å; C83-C118 VanDerWaalsContact SG-CA 3.57Å; C83-C118 WeakPolarHBondContact SG-CB 3.25Å; C83-C118 CovalentContact SG-SG 2.04Å; C83-C118 PolarHBondContact SG-SG 3.05Å; P85-C118 HydrophobicContact CG-CB 4.12Å; W114-C118 WeakPolarHBondContact O-CB 3.35Å; W114-C118 PolarHBondContact O-N 2.91Å; C118-I142 HydrophobicContact CB-CD1 3.92Å
119R96.7Very high94.5Very high56 Ų5649.5 Ų49.521%0.21124%0.239CC..EExtended strand (participates in β ladder)trans-128.1151.9174.2-63.4-65.2177.4-82.9-7.7111.6L80 E81 C83 K116 L117 P140 F141 V143L80-R119 HydrophobicContact CB-CB 4.48Å; L80-R119 HydrophobicContact CD1-CB 4.29Å; L80-R119 HydrophobicContact CD1-CG 4.17Å; L80-R119 HydrophobicContact CD2-CB 4.45Å; E81-R119 CarbonylContact O-C 3.52Å; E81-R119 WeakPolarHBondContact O-CA 3.44Å; C83-R119 PolarHBondContact SG-N 2.92Å; C83-R119 PolarHBondContact SG-O 3.42Å; K116-R119 PolarHBondContact O-NH1 3.12Å; K116-R119 PolarHBondContact O-NH2 3.27Å; L117-R119 PolarHBondContact O-N 3.42Å; R119-P140 WeakPolarHBondContact O-CA 3.5Å; R119-F141 HydrophobicContact CB-CE2 4.2Å; R119-F141 HydrophobicContact CB-CZ 4.22Å; R119-F141 PolarHBondContact N-O 3.39Å; R119-F141 PolarHBondContact O-N 3.18Å; R119-V143 HydrophobicContact CB-CG1 4.32Å; R119-V143 HydrophobicContact CG-CG1 3.9Å; R119-V143 HydrophobicContact CG-CG2 4.34Å
120K96.3Very high94.6Very high92 Ų9251.6 Ų51.640%0.425%0.25SS..EExtended strand (participates in β ladder)trans-132.2143.4171.9-178.5-177.4166.6-149.70109.3L80 E81 C83 P140L80-K120 WeakPolarHBondContact CA-O 3.3Å; E81-K120 HydrophobicContact CG-CB 3.98Å; E81-K120 HydrophobicContact CG-CG 4.48Å; E81-K120 PolarHBondContact N-O 2.7Å; E81-K120 PolarHBondContact O-N 3.18Å; E81-K120 WeakPolarHBondContact OE1-CD 3.36Å; E81-K120 IonicContact OE1-NZ 3.62Å; E81-K120 PolarHBondContact OE1-NZ 3.09Å; C83-K120 HydrophobicContact CB-CB 4.25Å; K120-P140 HydrophobicContact CB-CB 4.46Å; K120-P140 HydrophobicContact CD-CG 4.42Å; K120-P140 HydrophobicContact CG-CG 4.41Å
121V96.6Very high94.6Very high8 Ų853.8 Ų53.85%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-69.5129.5176.3-178.80000109.5L80 V125 L126 L134 V137 F141L80-V121 HydrophobicContact CD2-CG2 4.48Å; V121-V125 HydrophobicContact CG1-CB 3.59Å; V121-V125 HydrophobicContact CG1-CG1 3.81Å; V121-V125 HydrophobicContact CG1-CG2 4.06Å; V121-L126 HydrophobicContact CG1-CD2 4.24Å; V121-L134 HydrophobicContact CG2-CD2 4.19Å; V121-V137 HydrophobicContact CG2-CG2 3.98Å; V121-F141 HydrophobicContact CG2-CE1 4.03Å
122K95.9Very high94.7Very high74 Ų7454.3 Ų54.332%0.32226%0.26SS..  trans-68.1153.6177.2-77.2-176.4-179.6163.60112.3S78 E79 L80 E81 D124 V125 L126S78-K122 WeakPolarHBondContact O-CD 3.39Å; S78-K122 WeakPolarHBondContact O-CE 3.32Å; S78-K122 PolarHBondContact O-NZ 2.94Å; E79-K122 PolarHBondContact O-N 2.96Å; E79-K122 VanDerWaalsContact O-N 3.1Å; L80-K122 WeakPolarHBondContact O-CE 3.41Å; E81-K122 HydrophobicContact CB-CG 4.13Å; E81-K122 HydrophobicContact CG-CG 4.31Å; K122-D124 VanDerWaalsContact C-N 3.26Å; K122-D124 PolarHBondContact O-N 3.37Å; K122-V125 HydrophobicContact CB-CG2 4.2Å; K122-V125 WeakPolarHBondContact O-CB 3.25Å; K122-V125 PolarHBondContact O-N 3.3Å; K122-V125 VanDerWaalsContact O-N 3.11Å; K122-L126 PolarHBondContact O-N 3.47Å
123Q93.9Very high94.9Very high119 Ų11951.9 Ų51.956%0.55625%0.249SC*.Hα-helixtrans-58.9-34.2178.8-165.463.136.300113.6V125 L126 Q127Q123-V125 VanDerWaalsContact C-N 3.29Å; Q123-V125 PolarHBondContact O-N 3.45Å; Q123-L126 WeakPolarHBondContact O-CB 3.31Å; Q123-L126 PolarHBondContact O-N 2.94Å; Q123-Q127 WeakPolarHBondContact O-CG 3.37Å; Q123-Q127 PolarHBondContact O-N 3.32Å; Q123-Q127 VanDerWaalsContact O-N 3.17Å
124D93.8Very high95Very high62 Ų6251 Ų5133%0.33225%0.245SC..Hα-helixtrans-63.1-36178.3-170.426.6000112.1K122 L126 Q127 N128 Y132K122-D124 VanDerWaalsContact C-N 3.26Å; K122-D124 PolarHBondContact O-N 3.37Å; D124-L126 VanDerWaalsContact C-N 3.31Å; D124-L126 PolarHBondContact O-N 3.33Å; D124-Q127 PolarHBondContact O-N 3.5Å; D124-Q127 VanDerWaalsContact O-N 3.16Å; D124-N128 PolarHBondContact O-N 3.17Å; D124-N128 PolarHBondContact OD1-ND2 2.9Å; D124-Y132 VanDerWaalsContact CG-OH 3.29Å; D124-Y132 PolarHBondContact OD2-OH 2.82Å
125V94.9Very high95Very high0 Ų051.4 Ų51.40%025%0.248CC..Hα-helixtrans-65.4-37.4176.3-168.70000111E79 V121 K122 Q123 Q127 P129 Y132 V136E79-V125 HydrophobicContact CB-CG2 3.69Å; E79-V125 WeakPolarHBondContact O-CG2 3.26Å; V121-V125 HydrophobicContact CG1-CB 3.59Å; V121-V125 HydrophobicContact CG1-CG1 3.81Å; V121-V125 HydrophobicContact CG1-CG2 4.06Å; K122-V125 HydrophobicContact CB-CG2 4.2Å; K122-V125 WeakPolarHBondContact O-CB 3.25Å; K122-V125 PolarHBondContact O-N 3.3Å; K122-V125 VanDerWaalsContact O-N 3.11Å; Q123-V125 VanDerWaalsContact C-N 3.29Å; Q123-V125 PolarHBondContact O-N 3.45Å; V125-Q127 VanDerWaalsContact C-N 3.29Å; V125-Q127 PolarHBondContact O-N 3.47Å; V125-P129 VanDerWaalsContact O-CA 3.26Å; V125-P129 WeakPolarHBondContact O-CA 3.34Å; V125-Y132 HydrophobicContact CB-CD2 4.18Å; V125-Y132 HydrophobicContact CB-CE2 4.14Å; V125-Y132 HydrophobicContact CG1-CD2 3.76Å; V125-Y132 HydrophobicContact CG1-CE2 4.23Å; V125-Y132 HydrophobicContact CG1-CG 3.92Å; V125-Y132 HydrophobicContact CG2-CD1 4.18Å; V125-Y132 HydrophobicContact CG2-CD2 4.28Å; V125-Y132 HydrophobicContact CG2-CE1 3.95Å; V125-Y132 HydrophobicContact CG2-CE2 4.07Å; V125-Y132 HydrophobicContact CG2-CG 4.34Å; V125-V136 HydrophobicContact CG1-CG2 3.8Å
126L92.2Very high95Very high77 Ų7750.3 Ų50.340%0.40324%0.243SC..Hα-helixtrans-65.6-34.6175.5-57.1178.3000112V121 K122 Q123 D124 V136V121-L126 HydrophobicContact CG1-CD2 4.24Å; K122-L126 PolarHBondContact O-N 3.47Å; Q123-L126 WeakPolarHBondContact O-CB 3.31Å; Q123-L126 PolarHBondContact O-N 2.94Å; D124-L126 VanDerWaalsContact C-N 3.31Å; D124-L126 PolarHBondContact O-N 3.33Å; L126-V136 HydrophobicContact CD2-CB 4.37Å; L126-V136 HydrophobicContact CD2-CG1 3.23Å; L126-V136 HydrophobicContact CD2-CG2 4.22Å
127Q93.5Very high95.2Very high130 Ų13044.6 Ų44.661%0.60722%0.219SC*.Hα-helixtrans-83.5-33.4-177.8-68.7174.6-500112.7Q123 D124 V125 P129Q123-Q127 WeakPolarHBondContact O-CG 3.37Å; Q123-Q127 PolarHBondContact O-N 3.32Å; Q123-Q127 VanDerWaalsContact O-N 3.17Å; D124-Q127 PolarHBondContact O-N 3.5Å; D124-Q127 VanDerWaalsContact O-N 3.16Å; V125-Q127 VanDerWaalsContact C-N 3.29Å; V125-Q127 PolarHBondContact O-N 3.47Å; Q127-P129 VanDerWaalsContact C-CD 3.47Å
128N93.8Very high95.1Very high57 Ų5747.6 Ų47.631%0.30524%0.239SC..  trans-130.254.7-173.6-58.7-70.3000112.4D124 N130 R131 Y132D124-N128 PolarHBondContact O-N 3.17Å; D124-N128 PolarHBondContact OD1-ND2 2.9Å; N128-N130 PolarHBondContact O-N 2.97Å; N128-N130 VanDerWaalsContact O-N 3.1Å; N128-R131 HydrophobicContact CB-CG 4.31Å; N128-R131 WeakPolarHBondContact O-CB 3.18Å; N128-R131 PolarHBondContact O-N 3.12Å; N128-Y132 HydrophobicContact CB-CE2 4.49Å; N128-Y132 VanDerWaalsContact O-CD2 3.23Å; N128-Y132 WeakPolarHBondContact O-CD2 3.48Å; N128-Y132 VanDerWaalsContact O-CE2 3.26Å; N128-Y132 WeakPolarHBondContact O-CE2 3.39Å
129P92.9Very high95.1Very high67 Ų6753.2 Ų53.244%0.43526%0.26SS..G310 helixtrans-60.3-30.1-169.623.8-34.9000113.6V125 Q127 R131 Y132 V136V125-P129 VanDerWaalsContact O-CA 3.26Å; V125-P129 WeakPolarHBondContact O-CA 3.34Å; Q127-P129 VanDerWaalsContact C-CD 3.47Å; P129-R131 PolarHBondContact O-N 3.36Å; P129-R131 VanDerWaalsContact O-N 3.09Å; P129-Y132 PolarHBondContact O-N 2.67Å; P129-Y132 VanDerWaalsContact O-N 3.12Å; P129-V136 HydrophobicContact CB-CG2 4.37Å
130N93.1Very high95.1Very high68 Ų6852.4 Ų52.436%0.36426%0.262SS..G310 helixtrans-66.1-8.4178.167.4-25.9000114.5D12 P46 N128 Y132D12-N130 WeakPolarHBondContact CB-O 3.34Å; P46-N130 HydrophobicContact CG-CB 4.38Å; P46-N130 WeakPolarHBondContact CG-O 3.3Å; N128-N130 PolarHBondContact O-N 2.97Å; N128-N130 VanDerWaalsContact O-N 3.1Å; N130-Y132 VanDerWaalsContact C-N 3.33Å
131R95.2Very high95.1Very high47 Ų4748.2 Ų48.218%0.17724%0.244CC..G310 helixtrans-87.9-3.6175.3-67.5176.765.9-162.4-13.3112.9L42 R43 N128 P129L42-R131 HydrophobicContact CB-CB 4.12Å; L42-R131 HydrophobicContact CB-CG 4.46Å; L42-R131 WeakPolarHBondContact CB-O 3.43Å; L42-R131 PolarHBondContact N-O 2.87Å; L42-R131 PolarHBondContact O-NE 3.26Å; L42-R131 PolarHBondContact O-NH2 3.02Å; R43-R131 PolarHBondContact O-NH2 3.2Å; N128-R131 HydrophobicContact CB-CG 4.31Å; N128-R131 WeakPolarHBondContact O-CB 3.18Å; N128-R131 PolarHBondContact O-N 3.12Å; P129-R131 PolarHBondContact O-N 3.36Å; P129-R131 VanDerWaalsContact O-N 3.09Å
132Y96Very high95.2Very high11 Ų1147.8 Ų47.84%0.04324%0.241CC..  trans-128.9146.4-171.6-53.6-88.5000110.2E79 D124 V125 N128 P129 N130 L134E79-Y132 HydrophobicContact CB-CD1 3.53Å; E79-Y132 HydrophobicContact CB-CE1 3.73Å; E79-Y132 HydrophobicContact CB-CG 4.49Å; E79-Y132 HydrophobicContact CG-CD1 4.4Å; D124-Y132 VanDerWaalsContact CG-OH 3.29Å; D124-Y132 PolarHBondContact OD2-OH 2.82Å; V125-Y132 HydrophobicContact CB-CD2 4.18Å; V125-Y132 HydrophobicContact CB-CE2 4.14Å; V125-Y132 HydrophobicContact CG1-CD2 3.76Å; V125-Y132 HydrophobicContact CG1-CE2 4.23Å; V125-Y132 HydrophobicContact CG1-CG 3.92Å; V125-Y132 HydrophobicContact CG2-CD1 4.18Å; V125-Y132 HydrophobicContact CG2-CD2 4.28Å; V125-Y132 HydrophobicContact CG2-CE1 3.95Å; V125-Y132 HydrophobicContact CG2-CE2 4.07Å; V125-Y132 HydrophobicContact CG2-CG 4.34Å; N128-Y132 HydrophobicContact CB-CE2 4.49Å; N128-Y132 VanDerWaalsContact O-CD2 3.23Å; N128-Y132 WeakPolarHBondContact O-CD2 3.48Å; N128-Y132 VanDerWaalsContact O-CE2 3.26Å; N128-Y132 WeakPolarHBondContact O-CE2 3.39Å; P129-Y132 PolarHBondContact O-N 2.67Å; P129-Y132 VanDerWaalsContact O-N 3.12Å; N130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-L134 VanDerWaalsContact C-N 3.29Å
133S96.4Very high95.2Very high0 Ų044.4 Ų44.40%023%0.226CC..SBendtrans-78.4-17.4165.459.90000112.4V38 I135 R194 I195V38-S133 WeakPolarHBondContact O-CB 3.36Å; V38-S133 PolarHBondContact O-OG 3.4Å; S133-I135 PolarHBondContact O-N 3.28Å; S133-R194 CarbonylContact O-C 3.53Å; S133-R194 WeakPolarHBondContact O-CA 3.49Å; S133-R194 VanDerWaalsContact OG-CD 3.27Å; S133-R194 WeakPolarHBondContact OG-CD 3.35Å; S133-R194 PolarHBondContact OG-NH1 2.85Å; S133-I195 PolarHBondContact O-N 3.29Å
134L97.1Very high95.3Very high7 Ų738.7 Ų38.74%0.03720%0.2CC..BIsolated β-bridgetrans-67.2127.6-179.6-169.677.6000111.3E79 L80 V121 Y132 V136 E150 G193E79-L134 HydrophobicContact CG-CB 4.12Å; E79-L134 HydrophobicContact CG-CD2 3.77Å; E79-L134 HydrophobicContact CG-CG 4.46Å; L80-L134 HydrophobicContact CD2-CD2 3.67Å; L80-L134 HydrophobicContact CG-CD2 4.46Å; V121-L134 HydrophobicContact CG2-CD2 4.19Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; L134-V136 PolarHBondContact O-N 3.46Å; L134-E150 HydrophobicContact CD1-CB 3.96Å; L134-G193 WeakPolarHBondContact CD1-O 3.41Å
135I96Very high95.3Very high9 Ų935.9 Ų35.95%0.04619%0.186CC..PPolyproline II helixtrans-74.3117.7169.8-65173.5000108S133 V137 M182 F186 P190 G193 R194 I195 L198S133-I135 PolarHBondContact O-N 3.28Å; I135-V137 PolarHBondContact O-N 3.14Å; I135-M182 HydrophobicContact CG2-CE 4.43Å; I135-F186 HydrophobicContact CD1-CE2 4.18Å; I135-F186 HydrophobicContact CD1-CZ 4.43Å; I135-F186 HydrophobicContact CG2-CE2 3.95Å; I135-F186 HydrophobicContact CG2-CZ 4.21Å; I135-P190 HydrophobicContact CD1-CG 4.37Å; I135-G193 PolarHBondContact N-O 3.39Å; I135-R194 WeakPolarHBondContact CD1-O 3.47Å; I135-I195 HydrophobicContact CG1-CG2 4.13Å; I135-L198 HydrophobicContact CD1-CD2 3.72Å; I135-L198 HydrophobicContact CD1-CG 4.12Å
136V95.7Very high95.1Very high35 Ų3538 Ų3821%0.21221%0.208CC..PPolyproline II helixtrans-57.5133.7173.7169.30000110.5V125 L126 P129 L134 R185V125-V136 HydrophobicContact CG1-CG2 3.8Å; L126-V136 HydrophobicContact CD2-CB 4.37Å; L126-V136 HydrophobicContact CD2-CG1 3.23Å; L126-V136 HydrophobicContact CD2-CG2 4.22Å; P129-V136 HydrophobicContact CB-CG2 4.37Å; L134-V136 PolarHBondContact O-N 3.46Å; V136-R185 PolarHBondContact O-NH1 3.16Å; V136-R185 PolarHBondContact O-NH2 3.09Å
137V95.9Very high95Very high7 Ų736 Ų364%0.04220%0.195CC..  trans-126.8148.4171.4-66.50000110.6V121 I135 F141 L151 N178 M182V121-V137 HydrophobicContact CG2-CG2 3.98Å; I135-V137 PolarHBondContact O-N 3.14Å; V137-F141 HydrophobicContact CG2-CD1 3.66Å; V137-F141 HydrophobicContact CG2-CE1 3.68Å; V137-L151 HydrophobicContact CG1-CD1 4.24Å; V137-L151 HydrophobicContact CG2-CD1 4.39Å; V137-N178 HydrophobicContact CB-CB 4.08Å; V137-N178 HydrophobicContact CG1-CB 4.24Å; V137-M182 HydrophobicContact CG1-CE 3.35Å
138P94.2Very high95Very high71 Ų7130.4 Ų30.446%0.46117%0.168SC..SBendtrans-77-21.7-169.628-36.1000115.3I177 N178 D181P138-I177 HydrophobicContact CG-CG2 4.22Å; P138-N178 WeakPolarHBondContact CD-OD1 3.25Å; P138-D181 HydrophobicContact CG-CB 4.37Å
139R97.2Very high95.1Very high120 Ų12029.2 Ų29.245%0.45316%0.162SC..SBendtrans-120157.3-174.5-55.3-62.4-176.2-1561.3112.2D174 I177 N178R139-D174 HydrophobicContact CB-CB 3.69Å; R139-D174 WeakPolarHBondContact CD-OD1 3.46Å; R139-D174 HydrophobicContact CG-CB 4.14Å; R139-D174 WeakPolarHBondContact CG-OD1 3.31Å; R139-D174 IonicContact NE-OD1 3.73Å; R139-I177 HydrophobicContact CG-CB 4.27Å; R139-I177 HydrophobicContact CG-CG2 3.88Å; R139-N178 WeakPolarHBondContact CB-OD1 3.41Å; R139-N178 PolarHBondContact N-OD1 3.21Å; R139-N178 PolarHBondContact O-ND2 2.86Å
140P97.2Very high95.2Very high39 Ų3926 Ų2625%0.25314%0.141SC..  trans-54.8156.4165.4-20.533000111.8C83 R119 K120 N178C83-P140 HydrophobicContact CB-CB 4.35Å; R119-P140 WeakPolarHBondContact O-CA 3.5Å; K120-P140 HydrophobicContact CB-CB 4.46Å; K120-P140 HydrophobicContact CD-CG 4.42Å; K120-P140 HydrophobicContact CG-CG 4.41Å; P140-N178 PolarHBondContact O-ND2 2.98Å
141F97Very high95.3Very high4 Ų423 Ų232%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-149.6161.8-178.858.3-87.3000112.2L80 R119 V121 V137 V143 L151L80-F141 HydrophobicContact CD2-CE1 4.42Å; L80-F141 HydrophobicContact CD2-CZ 3.92Å; R119-F141 HydrophobicContact CB-CE2 4.2Å; R119-F141 HydrophobicContact CB-CZ 4.22Å; R119-F141 PolarHBondContact N-O 3.39Å; R119-F141 PolarHBondContact O-N 3.18Å; V121-F141 HydrophobicContact CG2-CE1 4.03Å; V137-F141 HydrophobicContact CG2-CD1 3.66Å; V137-F141 HydrophobicContact CG2-CE1 3.68Å; F141-V143 HydrophobicContact CD2-CG1 3.91Å; F141-V143 HydrophobicContact CE2-CG1 3.51Å; F141-L151 HydrophobicContact CB-CD1 3.97Å; F141-L151 HydrophobicContact CB-CD2 3.75Å; F141-L151 HydrophobicContact CB-CG 3.84Å; F141-L151 HydrophobicContact CD1-CD1 4.37Å; F141-L151 HydrophobicContact CD1-CG 4.49Å; F141-L151 HydrophobicContact CD2-CD1 4.34Å; F141-L151 HydrophobicContact CD2-CD2 4.07Å; F141-L151 HydrophobicContact CD2-CG 3.61Å; F141-L151 HydrophobicContact CE2-CG 4.24Å; F141-L151 HydrophobicContact CG-CD1 4Å; F141-L151 HydrophobicContact CG-CD2 4.16Å; F141-L151 HydrophobicContact CG-CG 3.75Å
142I97.7Very high95.5Very high0 Ų021.4 Ų21.40%012%0.119CC..EExtended strand (participates in β ladder)trans-96.6127.6173.3-56.9-58.6000108.6W114 L117 C118 I159 L163 T171W114-I142 HydrophobicContact CE3-CG1 4.46Å; W114-I142 HydrophobicContact CE3-CG2 3.66Å; W114-I142 HydrophobicContact CZ3-CG2 3.68Å; L117-I142 HydrophobicContact CB-CG2 3.83Å; L117-I142 HydrophobicContact CD1-CG2 4.49Å; C118-I142 HydrophobicContact CB-CD1 3.92Å; I142-I159 HydrophobicContact CB-CG2 3.72Å; I142-I159 HydrophobicContact CG1-CG2 4.19Å; I142-I159 HydrophobicContact CG2-CD1 4.24Å; I142-I159 HydrophobicContact CG2-CG1 4.49Å; I142-I159 HydrophobicContact CG2-CG2 3.87Å; I142-L163 HydrophobicContact CG1-CD1 4.19Å; I142-L163 HydrophobicContact CG1-CD2 4.23Å; I142-T171 HydrophobicContact CD1-CG2 4.32Å; I142-T171 HydrophobicContact CG1-CG2 4.2Å
143V96.8Very high95.6Very high2 Ų221 Ų211%0.01212%0.117CC..  trans-86.7158172.4-62.60000111.5L117 R119 F141 F148 L149L117-V143 HydrophobicContact CB-CG2 4.43Å; L117-V143 HydrophobicContact CD2-CG2 4.18Å; L117-V143 WeakPolarHBondContact O-CG2 3.32Å; L117-V143 PolarHBondContact O-N 3.11Å; R119-V143 HydrophobicContact CB-CG1 4.32Å; R119-V143 HydrophobicContact CG-CG1 3.9Å; R119-V143 HydrophobicContact CG-CG2 4.34Å; F141-V143 HydrophobicContact CD2-CG1 3.91Å; F141-V143 HydrophobicContact CE2-CG1 3.51Å; V143-F148 WeakPolarHBondContact CB-O 3.29Å; V143-L149 VanDerWaalsContact CG1-O 3.27Å; V143-L149 WeakPolarHBondContact CG1-O 3.28Å
144P96.1Very high95.6Very high0 Ų021.2 Ų21.20%012%0.118CC..  trans-61.1-51.2171.9-20.831.8000112.3F148 E150 Y152 D155 F515 G516P144-F148 HydrophobicContact CB-CB 4.04Å; P144-F148 HydrophobicContact CG-CB 4Å; P144-E150 WeakPolarHBondContact CD-O 3.35Å; P144-Y152 HydrophobicContact CG-CD2 3.83Å; P144-Y152 HydrophobicContact CG-CG 4.35Å; P144-D155 HydrophobicContact CG-CB 4.39Å; P144-F515 HydrophobicContact CB-CD1 4.04Å; P144-F515 HydrophobicContact CB-CD2 4.39Å; P144-F515 HydrophobicContact CB-CE1 3.51Å; P144-F515 HydrophobicContact CB-CE2 3.89Å; P144-F515 HydrophobicContact CB-CZ 3.42Å; P144-F515 VanDerWaalsContact CB-CZ 3.42Å; P144-F515 HydrophobicContact CG-CZ 4.48Å; P144-F515 CarbonylContact O-C 3.47Å; P144-F515 VanDerWaalsContact O-CA 3.25Å; P144-F515 WeakPolarHBondContact O-CA 3.25Å; P144-G516 PolarHBondContact O-N 2.99Å
145G92.7Very high95.7Very high3 Ų321.1 Ų21.13%0.03112%0.118CC..BIsolated β-bridgetrans133.6168.7179.300000113.8R147 F148 E513G145-R147 PolarHBondContact O-N 2.85Å; G145-F148 WeakPolarHBondContact O-CB 3.38Å; G145-F148 WeakPolarHBondContact O-CD2 3.37Å; G145-F148 PolarHBondContact O-N 3.37Å; G145-F148 VanDerWaalsContact O-N 3.16Å; G145-E513 CarbonylContact C-O 3.54Å
146G90.4Very high95.8Very high45 Ų4520.7 Ų20.746%0.46412%0.115SC..THydrogen-bonded Turntrans62.1-127.2-177.700000112.2F148 E513G146-F148 PolarHBondContact O-N 3.05Å; G146-E513 PolarHBondContact N-O 3.33Å
147R90.8Very high95.9Very high35 Ų3519.1 Ų19.113%0.13211%0.106CC..THydrogen-bonded Turntrans-70.5-12.2176.972-171.6-68.3-96.217.4114.8D33 K35 G145 L149 Q512D33-R147 IonicContact OD1-CZ 3.3Å; D33-R147 IonicContact OD1-NE 2.91Å; D33-R147 IonicContact OD1-NH2 3.75Å; D33-R147 PolarHBondContact OD1-NH2 3.39Å; D33-R147 IonicContact OD2-CZ 3.06Å; D33-R147 IonicContact OD2-NE 3.19Å; D33-R147 PolarHBondContact OD2-NE 3.06Å; D33-R147 IonicContact OD2-NH2 3Å; D33-R147 PolarHBondContact OD2-NH2 3.45Å; K35-R147 PolarHBondContact NZ-O 3.08Å; G145-R147 PolarHBondContact O-N 2.85Å; R147-L149 PolarHBondContact O-N 3.45Å; R147-Q512 HydrophobicContact CG-CG 4.15Å
148F93.9Very high96.1Very high12 Ų1218.8 Ų18.85%0.05310%0.104CC..BIsolated β-bridgetrans-89.193.2-179.2-56.1-63.2000108.9V143 P144 G145 G146 Y152 Y509 Q512 F515V143-F148 WeakPolarHBondContact CB-O 3.29Å; P144-F148 HydrophobicContact CB-CB 4.04Å; P144-F148 HydrophobicContact CG-CB 4Å; G145-F148 WeakPolarHBondContact O-CB 3.38Å; G145-F148 WeakPolarHBondContact O-CD2 3.37Å; G145-F148 PolarHBondContact O-N 3.37Å; G145-F148 VanDerWaalsContact O-N 3.16Å; G146-F148 PolarHBondContact O-N 3.05Å; F148-Y152 HydrophobicContact CB-CD2 4.17Å; F148-Y152 HydrophobicContact CB-CE2 3.71Å; F148-Y152 HydrophobicContact CD1-CD2 4.37Å; F148-Y152 HydrophobicContact CD1-CE1 4.4Å; F148-Y152 AromaticContact CD1-CE2 3.45Å; F148-Y152 HydrophobicContact CD1-CE2 3.45Å; F148-Y152 VanDerWaalsContact CD1-CE2 3.45Å; F148-Y152 AromaticContact CD1-CZ 3.47Å; F148-Y152 VanDerWaalsContact CD1-CZ 3.47Å; F148-Y152 WeakPolarHBondContact CD1-OH 3.39Å; F148-Y152 HydrophobicContact CE1-CE2 4.38Å; F148-Y152 AromaticContact CG-CE2 3.94Å; F148-Y152 HydrophobicContact CG-CE2 3.94Å; F148-Y509 HydrophobicContact CE2-CE2 4.39Å; F148-Y509 AromaticContact CZ-CE2 4Å; F148-Y509 HydrophobicContact CZ-CE2 4Å; F148-Y509 AromaticContact CZ-CZ 3.83Å; F148-Q512 HydrophobicContact CD2-CB 4.42Å; F148-Q512 HydrophobicContact CD2-CG 4.17Å; F148-Q512 HydrophobicContact CE2-CB 4.17Å; F148-Q512 HydrophobicContact CE2-CG 3.65Å; F148-Q512 HydrophobicContact CZ-CG 4.48Å; F148-F515 AromaticContact CD2-CE2 3.47Å; F148-F515 HydrophobicContact CD2-CE2 3.47Å; F148-F515 VanDerWaalsContact CD2-CE2 3.47Å; F148-F515 AromaticContact CD2-CZ 3.84Å; F148-F515 HydrophobicContact CD2-CZ 3.84Å; F148-F515 AromaticContact CE2-CE2 3.63Å; F148-F515 HydrophobicContact CE2-CE2 3.63Å; F148-F515 AromaticContact CE2-CZ 3.96Å; F148-F515 HydrophobicContact CE2-CZ 3.96Å
149L94.4Very high96.3Very high32 Ų3215.6 Ų15.617%0.1688%0.083CC..  trans-98.5-1.9-173-59.5-179.6000112.5P76 L80 V143 R147P76-L149 HydrophobicContact CB-CD1 4.22Å; L80-L149 HydrophobicContact CD1-CB 4.1Å; L80-L149 WeakPolarHBondContact CD1-O 3.47Å; V143-L149 VanDerWaalsContact CG1-O 3.27Å; V143-L149 WeakPolarHBondContact CG1-O 3.28Å; R147-L149 PolarHBondContact O-N 3.45Å
150E95.6Very high96.4Very high0 Ų09.9 Ų9.90%06%0.061CC..SBendtrans-116.2167.3-17749.2-74.4131.900111.2K35 L134 P144 Y152 R194K35-E150 WeakPolarHBondContact CE-OE1 3.39Å; K35-E150 IonicContact NZ-OE1 2.74Å; K35-E150 PolarHBondContact NZ-OE1 3.17Å; K35-E150 IonicContact NZ-OE2 2.77Å; K35-E150 PolarHBondContact NZ-OE2 3Å; L134-E150 HydrophobicContact CD1-CB 3.96Å; P144-E150 WeakPolarHBondContact CD-O 3.35Å; E150-Y152 HydrophobicContact CG-CD2 4.28Å; E150-Y152 HydrophobicContact CG-CE2 3.74Å; E150-Y152 PolarHBondContact O-N 3.1Å; E150-Y152 VanDerWaalsContact OE1-CE2 3.26Å; E150-Y152 WeakPolarHBondContact OE1-CE2 3.29Å; E150-Y152 PolarHBondContact OE1-OH 3.14Å; E150-R194 HydrophobicContact CB-CG 4.41Å; E150-R194 HydrophobicContact CG-CG 3.93Å; E150-R194 IonicContact OE2-CZ 3.25Å; E150-R194 IonicContact OE2-NE 3.48Å; E150-R194 PolarHBondContact OE2-NE 3.15Å; E150-R194 IonicContact OE2-NH2 2.69Å; E150-R194 PolarHBondContact OE2-NH2 2.9Å; E150-R194 VanDerWaalsContact OE2-NH2 3.16Å
151L95.7Very high96.4Very high5 Ų58.6 Ų8.63%0.0265%0.052CC..  trans-60.4133.2164.2-82.5164.7000109.3V137 F141 T175 N178 M182 G192 G193V137-L151 HydrophobicContact CG1-CD1 4.24Å; V137-L151 HydrophobicContact CG2-CD1 4.39Å; F141-L151 HydrophobicContact CB-CD1 3.97Å; F141-L151 HydrophobicContact CB-CD2 3.75Å; F141-L151 HydrophobicContact CB-CG 3.84Å; F141-L151 HydrophobicContact CD1-CD1 4.37Å; F141-L151 HydrophobicContact CD1-CG 4.49Å; F141-L151 HydrophobicContact CD2-CD1 4.34Å; F141-L151 HydrophobicContact CD2-CD2 4.07Å; F141-L151 HydrophobicContact CD2-CG 3.61Å; F141-L151 HydrophobicContact CE2-CG 4.24Å; F141-L151 HydrophobicContact CG-CD1 4Å; F141-L151 HydrophobicContact CG-CD2 4.16Å; F141-L151 HydrophobicContact CG-CG 3.75Å; L151-T175 HydrophobicContact CD2-CG2 4.21Å; L151-N178 HydrophobicContact CD1-CB 3.69Å; L151-M182 HydrophobicContact CD1-CE 4.24Å; L151-G192 CarbonylContact O-C 3.46Å; L151-G192 WeakPolarHBondContact O-CA 3.39Å; L151-G193 PolarHBondContact O-N 3.4Å
152Y98Very high96.5Very high13 Ų138.4 Ų8.45%0.0515%0.051CC..BIsolated β-bridgetrans-113139.4166.1-84-94.9000109.1P144 F148 E150 D155 A156 N191 Y197P144-Y152 HydrophobicContact CG-CD2 3.83Å; P144-Y152 HydrophobicContact CG-CG 4.35Å; F148-Y152 HydrophobicContact CB-CD2 4.17Å; F148-Y152 HydrophobicContact CB-CE2 3.71Å; F148-Y152 HydrophobicContact CD1-CD2 4.37Å; F148-Y152 HydrophobicContact CD1-CE1 4.4Å; F148-Y152 AromaticContact CD1-CE2 3.45Å; F148-Y152 HydrophobicContact CD1-CE2 3.45Å; F148-Y152 VanDerWaalsContact CD1-CE2 3.45Å; F148-Y152 AromaticContact CD1-CZ 3.47Å; F148-Y152 VanDerWaalsContact CD1-CZ 3.47Å; F148-Y152 WeakPolarHBondContact CD1-OH 3.39Å; F148-Y152 HydrophobicContact CE1-CE2 4.38Å; F148-Y152 AromaticContact CG-CE2 3.94Å; F148-Y152 HydrophobicContact CG-CE2 3.94Å; E150-Y152 HydrophobicContact CG-CD2 4.28Å; E150-Y152 HydrophobicContact CG-CE2 3.74Å; E150-Y152 PolarHBondContact O-N 3.1Å; E150-Y152 VanDerWaalsContact OE1-CE2 3.26Å; E150-Y152 WeakPolarHBondContact OE1-CE2 3.29Å; E150-Y152 PolarHBondContact OE1-OH 3.14Å; Y152-D155 WeakPolarHBondContact CB-OD2 3.18Å; Y152-A156 PolarHBondContact O-N 2.95Å; Y152-N191 WeakPolarHBondContact CA-O 3.13Å; Y152-N191 WeakPolarHBondContact CD1-OD1 3.46Å; Y152-N191 WeakPolarHBondContact CE1-OD1 2.85Å; Y152-Y197 HydrophobicContact CE1-CE2 4.25Å; Y152-Y197 PolarHBondContact OH-OH 2.86Å
153Y98.3Very high96.5Very high2 Ų28.4 Ų8.41%0.0085%0.051CC..THydrogen-bonded Turntrans-67.5-64.1-164.5177.7-162.4000112.6D155 A156 L179 V189 N191 Q202 P204 L205 L206 E233Y153-D155 VanDerWaalsContact C-N 3.31Å; Y153-D155 PolarHBondContact O-N 3.06Å; Y153-A156 WeakPolarHBondContact O-CB 3.41Å; Y153-A156 PolarHBondContact O-N 3.31Å; Y153-A156 VanDerWaalsContact O-N 3.17Å; Y153-L179 HydrophobicContact CD2-CD2 4.33Å; Y153-V189 HydrophobicContact CD1-CB 3.56Å; Y153-V189 HydrophobicContact CD1-CG1 3.88Å; Y153-V189 HydrophobicContact CD1-CG2 4.41Å; Y153-V189 HydrophobicContact CD2-CB 3.83Å; Y153-V189 HydrophobicContact CD2-CG1 3.6Å; Y153-V189 HydrophobicContact CD2-CG2 4.09Å; Y153-V189 HydrophobicContact CE1-CB 3.66Å; Y153-V189 HydrophobicContact CE1-CG1 4.4Å; Y153-V189 HydrophobicContact CE1-CG2 4.11Å; Y153-V189 HydrophobicContact CE2-CB 4Å; Y153-V189 HydrophobicContact CE2-CG1 4.23Å; Y153-V189 HydrophobicContact CE2-CG2 3.85Å; Y153-V189 HydrophobicContact CG-CB 3.65Å; Y153-V189 HydrophobicContact CG-CG1 3.44Å; Y153-V189 VanDerWaalsContact CG-CG1 3.44Å; Y153-V189 HydrophobicContact CG-CG2 4.41Å; Y153-N191 PolarHBondContact N-O 3.25Å; Y153-Q202 HydrophobicContact CD1-CB 3.91Å; Y153-Q202 HydrophobicContact CG-CB 4.28Å; Y153-Q202 VanDerWaalsContact N-OE1 3.15Å; Y153-P204 WeakPolarHBondContact OH-CA 3.43Å; Y153-L205 PolarHBondContact OH-N 3.1Å; Y153-L206 HydrophobicContact CE2-CB 3.77Å; Y153-L206 WeakPolarHBondContact OH-CB 3.38Å; Y153-L206 PolarHBondContact OH-N 2.68Å; Y153-E233 WeakPolarHBondContact CE1-OE1 3.45Å; Y153-E233 PolarHBondContact OH-OE1 3.28Å; Y153-E233 PolarHBondContact OH-OE2 3.36Å
154W98Very high96.6Very high4 Ų49.2 Ų9.22%0.0156%0.055CC..THydrogen-bonded Turntrans-71.1-29.6-174.575.5-29.7000112.1A156 Y157 W158 Q202 P203 L205 G295 W296 W440 W517W154-A156 PolarHBondContact O-N 2.76Å; W154-Y157 WeakPolarHBondContact O-CB 3.45Å; W154-Y157 PolarHBondContact O-N 2.92Å; W154-W158 HydrophobicContact CB-CZ3 4.22Å; W154-W158 HydrophobicContact CD2-CH2 4.32Å; W154-W158 HydrophobicContact CD2-CZ3 4Å; W154-W158 AromaticContact CE3-CH2 3.88Å; W154-W158 HydrophobicContact CE3-CH2 3.88Å; W154-W158 HydrophobicContact CE3-CZ3 4.04Å; W154-W158 HydrophobicContact CG-CZ3 4.09Å; W154-W158 HydrophobicContact CZ3-CH2 4.46Å; W154-W158 WeakPolarHBondContact O-CZ3 3.29Å; W154-Q202 VanDerWaalsContact CD1-NE2 3.33Å; W154-Q202 VanDerWaalsContact N-OE1 3.1Å; W154-P203 HydrophobicContact CB-CB 4.13Å; W154-P203 HydrophobicContact CB-CG 4.43Å; W154-P203 HydrophobicContact CD2-CB 4.37Å; W154-P203 HydrophobicContact CD2-CG 3.92Å; W154-P203 HydrophobicContact CE3-CB 3.82Å; W154-P203 HydrophobicContact CE3-CG 3.46Å; W154-P203 VanDerWaalsContact CE3-CG 3.46Å; W154-P203 HydrophobicContact CG-CG 4.35Å; W154-P203 HydrophobicContact CZ3-CG 3.93Å; W154-L205 HydrophobicContact CB-CD1 4.25Å; W154-G295 VanDerWaalsContact CZ2-O 3.27Å; W154-G295 WeakPolarHBondContact CZ2-O 3.32Å; W154-W296 AromaticContact CH2-CD1 3.74Å; W154-W296 AromaticContact CH2-NE1 3.84Å; W154-W440 AromaticContact CH2-CH2 3.35Å; W154-W440 HydrophobicContact CH2-CH2 3.35Å; W154-W440 AromaticContact CH2-CZ2 3.84Å; W154-W440 HydrophobicContact CH2-CZ2 3.84Å; W154-W440 AromaticContact CH2-CZ3 4Å; W154-W440 HydrophobicContact CH2-CZ3 4Å; W154-W440 AromaticContact CZ2-CH2 3.53Å; W154-W440 HydrophobicContact CZ2-CH2 3.53Å; W154-W440 AromaticContact CZ2-CZ2 3.62Å; W154-W440 HydrophobicContact CZ2-CZ2 3.62Å; W154-W517 AromaticContact CE2-CZ3 3.77Å; W154-W517 HydrophobicContact CZ2-CH2 4.35Å; W154-W517 AromaticContact CZ2-CZ3 3.77Å; W154-W517 HydrophobicContact CZ2-CZ3 3.77Å; W154-W517 AromaticContact NE1-CZ3 3.63Å
155D98.1Very high96.6Very high5 Ų59.6 Ų9.63%0.0276%0.058CC..Hα-helixtrans-53.3-38.2171.3-64.6-115.1000111.8P144 Y152 Y153 Y157 W158 I159 F515P144-D155 HydrophobicContact CG-CB 4.39Å; Y152-D155 WeakPolarHBondContact CB-OD2 3.18Å; Y153-D155 VanDerWaalsContact C-N 3.31Å; Y153-D155 PolarHBondContact O-N 3.06Å; D155-Y157 PolarHBondContact O-N 3.49Å; D155-Y157 VanDerWaalsContact O-N 3.15Å; D155-W158 PolarHBondContact O-N 3.13Å; D155-W158 VanDerWaalsContact O-N 3.16Å; D155-I159 WeakPolarHBondContact O-CG1 3.34Å; D155-I159 PolarHBondContact O-N 3.48Å; D155-F515 WeakPolarHBondContact OD1-CE1 3.29Å
156A98.3Very high96.9Very high0 Ų09.4 Ų9.40%06%0.057CC..Hα-helixtrans-57.4-29.3179.700000112.4Y152 Y153 W154 I159 I160 T175 L179Y152-A156 PolarHBondContact O-N 2.95Å; Y153-A156 WeakPolarHBondContact O-CB 3.41Å; Y153-A156 PolarHBondContact O-N 3.31Å; Y153-A156 VanDerWaalsContact O-N 3.17Å; W154-A156 PolarHBondContact O-N 2.76Å; A156-I159 PolarHBondContact O-N 3.01Å; A156-I160 WeakPolarHBondContact O-CB 3.18Å; A156-I160 WeakPolarHBondContact O-CD1 3.24Å; A156-I160 WeakPolarHBondContact O-CG1 3.37Å; A156-I160 PolarHBondContact O-N 3.32Å; A156-T175 HydrophobicContact CB-CG2 4.11Å; A156-L179 HydrophobicContact CB-CD1 3.83Å; A156-L179 HydrophobicContact CB-CD2 4.41Å
157Y98.7Very high97.2Very high3 Ų39.2 Ų9.21%0.0124%0.044CC..Hα-helixtrans-61.5-50.7176.8177.6-117000111.9W154 D155 I160 K161 L205 S208 D212 F399W154-Y157 WeakPolarHBondContact O-CB 3.45Å; W154-Y157 PolarHBondContact O-N 2.92Å; D155-Y157 PolarHBondContact O-N 3.49Å; D155-Y157 VanDerWaalsContact O-N 3.15Å; Y157-I160 PolarHBondContact O-N 3.2Å; Y157-K161 HydrophobicContact CE1-CD 4.24Å; Y157-K161 HydrophobicContact CE2-CG 4.46Å; Y157-K161 PolarHBondContact O-N 2.91Å; Y157-K161 WeakPolarHBondContact OH-CE 3.37Å; Y157-K161 PolarHBondContact OH-NZ 3.21Å; Y157-L205 HydrophobicContact CD1-CD1 3.91Å; Y157-L205 HydrophobicContact CG-CB 4.25Å; Y157-L205 HydrophobicContact CG-CD1 4.03Å; Y157-S208 VanDerWaalsContact CE2-CB 3.48Å; Y157-D212 VanDerWaalsContact CE2-OD2 3.23Å; Y157-D212 WeakPolarHBondContact CE2-OD2 3.31Å; Y157-D212 PolarHBondContact OH-OD2 3.35Å; Y157-F399 HydrophobicContact CE1-CE2 4.38Å; Y157-F399 AromaticContact CE1-CZ 3.87Å; Y157-F399 HydrophobicContact CE1-CZ 3.87Å
158W98.7Very high97.6Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-73.8-32.7179.8-64.4-75.9000112.2W154 D155 I160 K161 G162 L205 P448 H451 M452 W517 G520 V521W154-W158 HydrophobicContact CB-CZ3 4.22Å; W154-W158 HydrophobicContact CD2-CH2 4.32Å; W154-W158 HydrophobicContact CD2-CZ3 4Å; W154-W158 AromaticContact CE3-CH2 3.88Å; W154-W158 HydrophobicContact CE3-CH2 3.88Å; W154-W158 HydrophobicContact CE3-CZ3 4.04Å; W154-W158 HydrophobicContact CG-CZ3 4.09Å; W154-W158 HydrophobicContact CZ3-CH2 4.46Å; W154-W158 WeakPolarHBondContact O-CZ3 3.29Å; D155-W158 PolarHBondContact O-N 3.13Å; D155-W158 VanDerWaalsContact O-N 3.16Å; W158-I160 VanDerWaalsContact C-N 3.34Å; W158-K161 PolarHBondContact O-N 3.25Å; W158-G162 PolarHBondContact O-N 3Å; W158-L205 HydrophobicContact CH2-CD1 3.78Å; W158-L205 HydrophobicContact CZ2-CD1 4.3Å; W158-L205 HydrophobicContact CZ3-CD1 4.25Å; W158-P448 HydrophobicContact CD2-CB 4.35Å; W158-P448 HydrophobicContact CD2-CG 4.14Å; W158-P448 HydrophobicContact CE3-CB 4.27Å; W158-P448 HydrophobicContact CE3-CG 3.85Å; W158-P448 HydrophobicContact CH2-CB 3.41Å; W158-P448 VanDerWaalsContact CH2-CB 3.41Å; W158-P448 HydrophobicContact CH2-CG 3.85Å; W158-P448 VanDerWaalsContact CZ2-CA 3.47Å; W158-P448 HydrophobicContact CZ2-CB 3.46Å; W158-P448 VanDerWaalsContact CZ2-CB 3.46Å; W158-P448 HydrophobicContact CZ2-CG 4.11Å; W158-P448 HydrophobicContact CZ3-CB 3.81Å; W158-P448 HydrophobicContact CZ3-CG 3.68Å; W158-H451 AromaticContact CD1-CG 3.85Å; W158-H451 AromaticContact CD1-ND1 3.68Å; W158-H451 AromaticContact NE1-CG 3.59Å; W158-H451 AromaticContact NE1-ND1 3.2Å; W158-H451 PolarHBondContact NE1-ND1 3.35Å; W158-M452 HydrophobicContact CH2-CE 4.22Å; W158-M452 HydrophobicContact CH2-SD 4.48Å; W158-M452 HydrophobicContact CZ2-CE 3.95Å; W158-M452 HydrophobicContact CZ2-CG 4.02Å; W158-M452 HydrophobicContact CZ2-SD 4Å; W158-W517 HydrophobicContact CB-CB 3.73Å; W158-W517 HydrophobicContact CD2-CB 4.42Å; W158-W517 HydrophobicContact CE3-CB 4.22Å; W158-W517 HydrophobicContact CE3-CE3 4.31Å; W158-W517 HydrophobicContact CG-CB 4.25Å; W158-W517 HydrophobicContact CZ3-CE3 4.42Å; W158-G520 VanDerWaalsContact O-CA 3.27Å; W158-G520 WeakPolarHBondContact O-CA 3.39Å; W158-V521 HydrophobicContact CB-CG2 4.16Å; W158-V521 HydrophobicContact CG-CG2 3.79Å
159I98.7Very high97.8Very high3 Ų311.4 Ų11.42%0.0155%0.052CC..Hα-helixtrans-57.1-50.2169.1-71.6171.2000109.8W114 I142 D155 A156 K161 G162 L163W114-I159 HydrophobicContact CZ3-CG2 4.46Å; I142-I159 HydrophobicContact CB-CG2 3.72Å; I142-I159 HydrophobicContact CG1-CG2 4.19Å; I142-I159 HydrophobicContact CG2-CD1 4.24Å; I142-I159 HydrophobicContact CG2-CG1 4.49Å; I142-I159 HydrophobicContact CG2-CG2 3.87Å; D155-I159 WeakPolarHBondContact O-CG1 3.34Å; D155-I159 PolarHBondContact O-N 3.48Å; A156-I159 PolarHBondContact O-N 3.01Å; I159-K161 VanDerWaalsContact C-N 3.34Å; I159-K161 PolarHBondContact O-N 3.06Å; I159-G162 CarbonylContact O-C 3.53Å; I159-G162 WeakPolarHBondContact O-CA 3.31Å; I159-G162 PolarHBondContact O-N 3.48Å; I159-G162 VanDerWaalsContact O-N 3.09Å; I159-L163 HydrophobicContact CG2-CD1 3.89Å; I159-L163 HydrophobicContact CG2-CG 4.29Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 2.97Å; I159-L163 PolarHBondContact O-N 3.01Å
160I98.7Very high97.9Very high1 Ų112.6 Ų12.61%0.0056%0.063CC..Hα-helixtrans-59.3-44.4177.7-74.4165.4000110.7A156 Y157 W158 G162 L163 L164 A172 T175 I176 C209A156-I160 WeakPolarHBondContact O-CB 3.18Å; A156-I160 WeakPolarHBondContact O-CD1 3.24Å; A156-I160 WeakPolarHBondContact O-CG1 3.37Å; A156-I160 PolarHBondContact O-N 3.32Å; Y157-I160 PolarHBondContact O-N 3.2Å; W158-I160 VanDerWaalsContact C-N 3.34Å; I160-G162 VanDerWaalsContact C-N 3.3Å; I160-G162 PolarHBondContact O-N 2.93Å; I160-L163 PolarHBondContact O-N 3.41Å; I160-L163 VanDerWaalsContact O-N 3.13Å; I160-L164 HydrophobicContact CG2-CD1 4.04Å; I160-L164 HydrophobicContact CG2-CG 4.21Å; I160-L164 VanDerWaalsContact O-CG 3.29Å; I160-L164 WeakPolarHBondContact O-CG 3.33Å; I160-L164 PolarHBondContact O-N 3.11Å; I160-A172 HydrophobicContact CG2-CB 4.29Å; I160-T175 HydrophobicContact CD1-CG2 3.93Å; I160-T175 HydrophobicContact CG1-CG2 4.07Å; I160-I176 HydrophobicContact CD1-CD1 4.38Å; I160-I176 HydrophobicContact CD1-CG1 3.7Å; I160-C209 HydrophobicContact CD1-CB 3.69Å
161K98.2Very high98.1Very high11 Ų1113 Ų135%0.0487%0.066CC..Hα-helixtrans-56.1-44.5173.6-76.5-155.3151.2173.90112.9Y157 W158 I159 L163 L164 A165 D212 H451 E455 D524Y157-K161 HydrophobicContact CE1-CD 4.24Å; Y157-K161 HydrophobicContact CE2-CG 4.46Å; Y157-K161 PolarHBondContact O-N 2.91Å; Y157-K161 WeakPolarHBondContact OH-CE 3.37Å; Y157-K161 PolarHBondContact OH-NZ 3.21Å; W158-K161 PolarHBondContact O-N 3.25Å; I159-K161 VanDerWaalsContact C-N 3.34Å; I159-K161 PolarHBondContact O-N 3.06Å; K161-L163 PolarHBondContact O-N 2.97Å; K161-L164 PolarHBondContact O-N 2.7Å; K161-A165 WeakPolarHBondContact O-CB 3.02Å; K161-A165 PolarHBondContact O-N 2.85Å; K161-D212 WeakPolarHBondContact CE-OD2 3.47Å; K161-D212 IonicContact NZ-OD2 3.23Å; K161-H451 PolarHBondContact NZ-CE1 3.3Å; K161-E455 IonicContact NZ-OE2 3.42Å; K161-E455 PolarHBondContact NZ-OE2 3.28Å; K161-E455 VanDerWaalsContact NZ-OE2 3.08Å; K161-D524 HydrophobicContact CB-CB 4.38Å
162G98.3Very high98.2Very high0 Ų012.8 Ų12.80%07%0.065CC..Hα-helixtrans-62.2-39.2175.200000114.2W158 I159 I160 S166W158-G162 PolarHBondContact O-N 3Å; I159-G162 CarbonylContact O-C 3.53Å; I159-G162 WeakPolarHBondContact O-CA 3.31Å; I159-G162 PolarHBondContact O-N 3.48Å; I159-G162 VanDerWaalsContact O-N 3.09Å; I160-G162 VanDerWaalsContact C-N 3.3Å; I160-G162 PolarHBondContact O-N 2.93Å; G162-S166 VanDerWaalsContact O-CB 3.24Å; G162-S166 WeakPolarHBondContact O-CB 3.18Å; G162-S166 PolarHBondContact O-N 2.84Å; G162-S166 PolarHBondContact O-OG 3.33Å
163L98.6Very high98.2Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-67.7-43.7176.3-68.5172.6000111.2W114 I142 I159 I160 K161 S166 E167 M168 T171 A172W114-L163 HydrophobicContact CD2-CD2 4.18Å; W114-L163 HydrophobicContact CG-CD2 4.3Å; I142-L163 HydrophobicContact CG1-CD1 4.19Å; I142-L163 HydrophobicContact CG1-CD2 4.23Å; I159-L163 HydrophobicContact CG2-CD1 3.89Å; I159-L163 HydrophobicContact CG2-CG 4.29Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 2.97Å; I159-L163 PolarHBondContact O-N 3.01Å; I160-L163 PolarHBondContact O-N 3.41Å; I160-L163 VanDerWaalsContact O-N 3.13Å; K161-L163 PolarHBondContact O-N 2.97Å; L163-S166 CarbonylContact O-C 3.51Å; L163-S166 WeakPolarHBondContact O-CA 3.35Å; L163-S166 WeakPolarHBondContact O-CB 3.33Å; L163-S166 PolarHBondContact O-N 3.48Å; L163-E167 PolarHBondContact O-N 3.42Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L163-M168 HydrophobicContact CB-CB 4.21Å; L163-M168 HydrophobicContact CD2-CB 3.98Å; L163-M168 HydrophobicContact CD2-CE 3.88Å; L163-M168 HydrophobicContact CD2-SD 3.76Å; L163-M168 PolarHBondContact O-N 2.95Å; L163-T171 HydrophobicContact CD1-CG2 3.85Å; L163-T171 HydrophobicContact CD2-CG2 3.95Å; L163-A172 HydrophobicContact CB-CB 4.11Å; L163-A172 HydrophobicContact CD1-CB 4.34Å
164L98.3Very high98.2Very high19 Ų1916.4 Ų16.410%0.0998%0.082CC..Hα-helixtrans-62.1-43.5174.7-64.9177.6000111.3I160 K161 S166 E167 Y169 A172 D212 Y213 T216I160-L164 HydrophobicContact CG2-CD1 4.04Å; I160-L164 HydrophobicContact CG2-CG 4.21Å; I160-L164 VanDerWaalsContact O-CG 3.29Å; I160-L164 WeakPolarHBondContact O-CG 3.33Å; I160-L164 PolarHBondContact O-N 3.11Å; K161-L164 PolarHBondContact O-N 2.7Å; L164-S166 PolarHBondContact O-N 3.42Å; L164-E167 PolarHBondContact O-N 2.98Å; L164-E167 VanDerWaalsContact O-N 3.09Å; L164-Y169 HydrophobicContact CD2-CD1 3.78Å; L164-Y169 HydrophobicContact CD2-CE1 4.27Å; L164-A172 HydrophobicContact CD2-CB 4.1Å; L164-D212 HydrophobicContact CD1-CB 4.32Å; L164-Y213 HydrophobicContact CD2-CD2 4.17Å; L164-T216 HydrophobicContact CD2-CG2 4.27Å
165A97Very high98.2Very high8 Ų816.2 Ų16.27%0.0668%0.082CC..Hα-helixtrans-60.1-33172.700000112.3S94 F95 K161 E167 L523 L527S94-A165 PolarHBondContact OG-O 3.29Å; F95-A165 WeakPolarHBondContact CE1-O 3.23Å; K161-A165 WeakPolarHBondContact O-CB 3.02Å; K161-A165 PolarHBondContact O-N 2.85Å; A165-E167 VanDerWaalsContact C-N 3.28Å; A165-E167 PolarHBondContact O-N 2.73Å; A165-L523 HydrophobicContact CB-CB 3.98Å; A165-L527 VanDerWaalsContact CA-CD1 3.45Å; A165-L527 HydrophobicContact CB-CD1 3.46Å; A165-L527 VanDerWaalsContact CB-CD1 3.46Å; A165-L527 HydrophobicContact CB-CG 4.24Å; A165-L527 WeakPolarHBondContact O-CD1 3.48Å
166S97.7Very high98.2Very high0 Ų016 Ų160%08%0.081CC..THydrogen-bonded Turntrans-83.44.6177.5-64.60000114.3H111 W114 G162 L163 L164 M168 L523H111-S166 WeakPolarHBondContact ND1-CB 3.04Å; H111-S166 PolarHBondContact ND1-OG 3.48Å; H111-S166 VanDerWaalsContact ND1-OG 3.11Å; W114-S166 PolarHBondContact NE1-OG 2.94Å; G162-S166 VanDerWaalsContact O-CB 3.24Å; G162-S166 WeakPolarHBondContact O-CB 3.18Å; G162-S166 PolarHBondContact O-N 2.84Å; G162-S166 PolarHBondContact O-OG 3.33Å; L163-S166 CarbonylContact O-C 3.51Å; L163-S166 WeakPolarHBondContact O-CA 3.35Å; L163-S166 WeakPolarHBondContact O-CB 3.33Å; L163-S166 PolarHBondContact O-N 3.48Å; L164-S166 PolarHBondContact O-N 3.42Å; S166-M168 PolarHBondContact O-N 2.78Å; S166-L523 WeakPolarHBondContact OG-CD1 3.4Å
167E97.7Very high98.3Very high41 Ų4117.3 Ų17.319%0.1929%0.087CC..THydrogen-bonded Turntrans61.718.8-174.9-54.5176.8158.500113.9H89 P92 E93 S94 L163 L164 A165 Y169H89-E167 IonicContact CE1-OE2 3.29Å; H89-E167 PolarHBondContact CE1-OE2 3.36Å; H89-E167 IonicContact NE2-OE2 3.45Å; H89-E167 PolarHBondContact NE2-OE2 3.3Å; P92-E167 WeakPolarHBondContact CA-OE2 3.38Å; P92-E167 HydrophobicContact CB-CG 4.4Å; E93-E167 PolarHBondContact N-OE1 2.76Å; E93-E167 PolarHBondContact N-OE2 3.08Å; S94-E167 WeakPolarHBondContact CB-OE1 3.43Å; S94-E167 PolarHBondContact N-OE1 3.42Å; L163-E167 PolarHBondContact O-N 3.42Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 2.98Å; L164-E167 VanDerWaalsContact O-N 3.09Å; A165-E167 VanDerWaalsContact C-N 3.28Å; A165-E167 PolarHBondContact O-N 2.73Å; E167-Y169 HydrophobicContact CB-CE2 4.26Å; E167-Y169 PolarHBondContact O-N 2.75Å
168M98.2Very high98.2Very high0 Ų017.1 Ų17.10%09%0.087CC..  trans-91.861.5-179.1-62.4176.768.100111.8P85 D87 W88 W114 L163 S166 T171 A172P85-M168 HydrophobicContact CB-CE 3.43Å; P85-M168 VanDerWaalsContact CB-CE 3.43Å; P85-M168 HydrophobicContact CG-CE 3.65Å; D87-M168 WeakPolarHBondContact OD2-CA 3.38Å; W88-M168 HydrophobicContact CB-CE 3.99Å; W88-M168 HydrophobicContact CG-CE 4.38Å; W114-M168 HydrophobicContact CB-CE 4.31Å; W114-M168 HydrophobicContact CB-SD 4.17Å; W114-M168 HydrophobicContact CG-SD 4.1Å; L163-M168 HydrophobicContact CB-CB 4.21Å; L163-M168 HydrophobicContact CD2-CB 3.98Å; L163-M168 HydrophobicContact CD2-CE 3.88Å; L163-M168 HydrophobicContact CD2-SD 3.76Å; L163-M168 PolarHBondContact O-N 2.95Å; S166-M168 PolarHBondContact O-N 2.78Å; M168-T171 HydrophobicContact CE-CG2 4.24Å; M168-T171 PolarHBondContact O-N 3.39Å; M168-A172 PolarHBondContact O-N 3Å
169Y98Very high98.2Very high92 Ų9217.2 Ų17.236%0.3619%0.087SC..Hα-helixtrans-65.8-38.9-174-50.9-57.9000113.8D87 L164 E167 A172 K173 Y213 T216 T217D87-Y169 PolarHBondContact OD2-N 3.46Å; D87-Y169 VanDerWaalsContact OD2-N 3.09Å; L164-Y169 HydrophobicContact CD2-CD1 3.78Å; L164-Y169 HydrophobicContact CD2-CE1 4.27Å; E167-Y169 HydrophobicContact CB-CE2 4.26Å; E167-Y169 PolarHBondContact O-N 2.75Å; Y169-A172 PolarHBondContact O-N 3.46Å; Y169-K173 WeakPolarHBondContact O-CB 3.38Å; Y169-K173 PolarHBondContact O-N 2.9Å; Y169-Y213 WeakPolarHBondContact O-CE2 3.49Å; Y169-T216 HydrophobicContact CD1-CG2 4.25Å; Y169-T216 HydrophobicContact CE1-CG2 3.65Å; Y169-T217 HydrophobicContact CD1-CG2 3.96Å; Y169-T217 HydrophobicContact CG-CG2 4.13Å
170S98.2Very high98.2Very high58 Ų5817.3 Ų17.341%0.4069%0.088SC..Hα-helixtrans-67.7-40.4178.5-56.30000110.9D87 K173 D174D87-S170 VanDerWaalsContact OD2-CA 3.3Å; D87-S170 WeakPolarHBondContact OD2-CA 3.24Å; D87-S170 VanDerWaalsContact OD2-CB 3.26Å; D87-S170 WeakPolarHBondContact OD2-CB 3.23Å; D87-S170 PolarHBondContact OD2-N 2.96Å; S170-K173 WeakPolarHBondContact O-CB 3.42Å; S170-K173 PolarHBondContact O-N 2.84Å; S170-D174 PolarHBondContact O-N 3.11Å
171T98.3Very high98.2Very high9 Ų919.5 Ų19.56%0.05510%0.099CC..Hα-helixtrans-65-40.3175.3-58.70000111.3P85 D87 I142 L163 M168 D174 T175P85-T171 HydrophobicContact CB-CG2 4.47Å; P85-T171 WeakPolarHBondContact CB-OG1 3.3Å; D87-T171 PolarHBondContact OD1-OG1 2.84Å; D87-T171 PolarHBondContact OD2-N 2.98Å; I142-T171 HydrophobicContact CD1-CG2 4.32Å; I142-T171 HydrophobicContact CG1-CG2 4.2Å; L163-T171 HydrophobicContact CD1-CG2 3.85Å; L163-T171 HydrophobicContact CD2-CG2 3.95Å; M168-T171 HydrophobicContact CE-CG2 4.24Å; M168-T171 PolarHBondContact O-N 3.39Å; T171-D174 PolarHBondContact O-N 2.97Å; T171-T175 PolarHBondContact O-N 2.71Å; T171-T175 PolarHBondContact O-OG1 3.08Å
172A98.4Very high98.2Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-62.2-42.517400000112.3I160 L163 L164 M168 Y169 D174 T175 I176 Y213I160-A172 HydrophobicContact CG2-CB 4.29Å; L163-A172 HydrophobicContact CB-CB 4.11Å; L163-A172 HydrophobicContact CD1-CB 4.34Å; L164-A172 HydrophobicContact CD2-CB 4.1Å; M168-A172 PolarHBondContact O-N 3Å; Y169-A172 PolarHBondContact O-N 3.46Å; A172-D174 PolarHBondContact O-N 3.5Å; A172-T175 PolarHBondContact O-N 3.22Å; A172-I176 WeakPolarHBondContact O-CG1 3.2Å; A172-I176 PolarHBondContact O-N 2.93Å; A172-I176 VanDerWaalsContact O-N 3.08Å; A172-Y213 HydrophobicContact CB-CD2 4.19Å
173K98.5Very high98.2Very high54 Ų5419 Ų1924%0.23510%0.098CC..Hα-helixtrans-58.5-45.6173.8177.4172.2-170.5157.50111.8Y169 S170 T175 I176 I177 Y213 D219 L222Y169-K173 WeakPolarHBondContact O-CB 3.38Å; Y169-K173 PolarHBondContact O-N 2.9Å; S170-K173 WeakPolarHBondContact O-CB 3.42Å; S170-K173 PolarHBondContact O-N 2.84Å; K173-T175 PolarHBondContact O-N 3Å; K173-I176 WeakPolarHBondContact O-CB 3.35Å; K173-I176 PolarHBondContact O-N 3.31Å; K173-I177 HydrophobicContact CG-CD1 3.9Å; K173-I177 HydrophobicContact CG-CG1 4.47Å; K173-I177 WeakPolarHBondContact O-CG1 3.23Å; K173-I177 PolarHBondContact O-N 2.93Å; K173-Y213 HydrophobicContact CB-CE2 3.87Å; K173-D219 IonicContact NZ-OD1 3.94Å; K173-D219 IonicContact NZ-OD2 2.68Å; K173-D219 PolarHBondContact NZ-OD2 2.76Å; K173-L222 HydrophobicContact CD-CD2 4.49Å; K173-L222 HydrophobicContact CG-CD1 4.4Å; K173-L222 HydrophobicContact CG-CD2 3.96Å
174D98.2Very high98.1Very high36 Ų3623.3 Ų23.319%0.19312%0.12CC..Hα-helixtrans-62.1-41178.6-86-9.9000112.2R139 S170 T171 A172 I176 I177 N178R139-D174 HydrophobicContact CB-CB 3.69Å; R139-D174 WeakPolarHBondContact CD-OD1 3.46Å; R139-D174 HydrophobicContact CG-CB 4.14Å; R139-D174 WeakPolarHBondContact CG-OD1 3.31Å; R139-D174 IonicContact NE-OD1 3.73Å; S170-D174 PolarHBondContact O-N 3.11Å; T171-D174 PolarHBondContact O-N 2.97Å; A172-D174 PolarHBondContact O-N 3.5Å; D174-I176 PolarHBondContact O-N 3.02Å; D174-I177 PolarHBondContact O-N 3.16Å; D174-N178 PolarHBondContact O-N 3.42Å; D174-N178 PolarHBondContact O-ND2 2.98Å
175T97.9Very high98.1Very high1 Ų127.4 Ų27.41%0.00613%0.134CC..Hα-helixtrans-59.5-45.7171.9-58.40000111.6L151 A156 I160 T171 A172 K173 I177 N178 L179L151-T175 HydrophobicContact CD2-CG2 4.21Å; A156-T175 HydrophobicContact CB-CG2 4.11Å; I160-T175 HydrophobicContact CD1-CG2 3.93Å; I160-T175 HydrophobicContact CG1-CG2 4.07Å; T171-T175 PolarHBondContact O-N 2.71Å; T171-T175 PolarHBondContact O-OG1 3.08Å; A172-T175 PolarHBondContact O-N 3.22Å; K173-T175 PolarHBondContact O-N 3Å; T175-I177 PolarHBondContact O-N 2.9Å; T175-N178 PolarHBondContact O-N 2.87Å; T175-L179 HydrophobicContact CG2-CD1 4.46Å; T175-L179 WeakPolarHBondContact O-CG 3.35Å; T175-L179 PolarHBondContact O-N 3.41Å; T175-L179 VanDerWaalsContact O-N 3.14Å
176I98.6Very high98.1Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-60.7-45.4177.3-69.4168.7000111.1I160 A172 K173 D174 N178 L179 V180 C209 V210 Y213 L222I160-I176 HydrophobicContact CD1-CD1 4.38Å; I160-I176 HydrophobicContact CD1-CG1 3.7Å; A172-I176 WeakPolarHBondContact O-CG1 3.2Å; A172-I176 PolarHBondContact O-N 2.93Å; A172-I176 VanDerWaalsContact O-N 3.08Å; K173-I176 WeakPolarHBondContact O-CB 3.35Å; K173-I176 PolarHBondContact O-N 3.31Å; D174-I176 PolarHBondContact O-N 3.02Å; I176-N178 VanDerWaalsContact C-N 3.28Å; I176-N178 PolarHBondContact O-N 3.47Å; I176-L179 PolarHBondContact O-N 3.08Å; I176-L179 VanDerWaalsContact O-N 3.12Å; I176-V180 HydrophobicContact CG2-CG1 4.34Å; I176-V180 WeakPolarHBondContact O-CG2 3.44Å; I176-V180 PolarHBondContact O-N 2.96Å; I176-C209 HydrophobicContact CG1-CB 4.3Å; I176-V210 HydrophobicContact CG2-CG2 3.79Å; I176-Y213 HydrophobicContact CD1-CD1 4.14Å; I176-Y213 HydrophobicContact CD1-CD2 4.22Å; I176-Y213 HydrophobicContact CD1-CG 3.69Å; I176-L222 HydrophobicContact CG2-CD2 4.34Å
177I98.6Very high98Very high27 Ų2731 Ų3114%0.13815%0.153CC..Hα-helixtrans-57.5-42.9178.3-72.2169.8000110.9P138 R139 K173 D174 T175 L179 V180 D181 L222P138-I177 HydrophobicContact CG-CG2 4.22Å; R139-I177 HydrophobicContact CG-CB 4.27Å; R139-I177 HydrophobicContact CG-CG2 3.88Å; K173-I177 HydrophobicContact CG-CD1 3.9Å; K173-I177 HydrophobicContact CG-CG1 4.47Å; K173-I177 WeakPolarHBondContact O-CG1 3.23Å; K173-I177 PolarHBondContact O-N 2.93Å; D174-I177 PolarHBondContact O-N 3.16Å; T175-I177 PolarHBondContact O-N 2.9Å; I177-L179 PolarHBondContact O-N 2.87Å; I177-V180 VanDerWaalsContact O-CG2 3.25Å; I177-V180 WeakPolarHBondContact O-CG2 3.5Å; I177-D181 WeakPolarHBondContact O-CB 3.21Å; I177-D181 PolarHBondContact O-N 2.95Å; I177-L222 HydrophobicContact CD1-CD1 4.4Å; I177-L222 HydrophobicContact CG1-CD1 4.01Å
178N98.2Very high98Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-63.7-39.2177.2-72.5-23000112.6V137 P138 R139 P140 L151 D174 T175 I176 M182V137-N178 HydrophobicContact CB-CB 4.08Å; V137-N178 HydrophobicContact CG1-CB 4.24Å; P138-N178 WeakPolarHBondContact CD-OD1 3.25Å; R139-N178 WeakPolarHBondContact CB-OD1 3.41Å; R139-N178 PolarHBondContact N-OD1 3.21Å; R139-N178 PolarHBondContact O-ND2 2.86Å; P140-N178 PolarHBondContact O-ND2 2.98Å; L151-N178 HydrophobicContact CD1-CB 3.69Å; D174-N178 PolarHBondContact O-N 3.42Å; D174-N178 PolarHBondContact O-ND2 2.98Å; T175-N178 PolarHBondContact O-N 2.87Å; I176-N178 VanDerWaalsContact C-N 3.28Å; I176-N178 PolarHBondContact O-N 3.47Å; N178-M182 PolarHBondContact O-N 2.72Å
179L98.5Very high98.1Very high1 Ų130 Ų301%0.00515%0.149CC..Hα-helixtrans-69-45.8178.6-62.3172.1000111.6Y153 A156 T175 I176 I177 D181 M182 V183 V189 L206Y153-L179 HydrophobicContact CD2-CD2 4.33Å; A156-L179 HydrophobicContact CB-CD1 3.83Å; A156-L179 HydrophobicContact CB-CD2 4.41Å; T175-L179 HydrophobicContact CG2-CD1 4.46Å; T175-L179 WeakPolarHBondContact O-CG 3.35Å; T175-L179 PolarHBondContact O-N 3.41Å; T175-L179 VanDerWaalsContact O-N 3.14Å; I176-L179 PolarHBondContact O-N 3.08Å; I176-L179 VanDerWaalsContact O-N 3.12Å; I177-L179 PolarHBondContact O-N 2.87Å; L179-D181 VanDerWaalsContact C-N 3.28Å; L179-D181 PolarHBondContact O-N 3.01Å; L179-M182 WeakPolarHBondContact O-CB 3.37Å; L179-M182 PolarHBondContact O-N 3.04Å; L179-M182 VanDerWaalsContact O-N 3.13Å; L179-V183 PolarHBondContact O-N 3.24Å; L179-V183 VanDerWaalsContact O-N 3.13Å; L179-V189 HydrophobicContact CB-CG2 4.33Å; L179-V189 HydrophobicContact CD2-CG1 3.77Å; L179-L206 HydrophobicContact CB-CD1 3.6Å; L179-L206 HydrophobicContact CB-CD2 4.42Å; L179-L206 HydrophobicContact CD1-CD1 3.74Å; L179-L206 HydrophobicContact CG-CD1 4.34Å
180V98.2Very high98.1Very high6 Ų625.7 Ų25.74%0.03613%0.132CC..Hα-helixtrans-67.6-29.3179.2-59.50000112.2I176 I177 M182 V183 D184 L206 V226 L229I176-V180 HydrophobicContact CG2-CG1 4.34Å; I176-V180 WeakPolarHBondContact O-CG2 3.44Å; I176-V180 PolarHBondContact O-N 2.96Å; I177-V180 VanDerWaalsContact O-CG2 3.25Å; I177-V180 WeakPolarHBondContact O-CG2 3.5Å; V180-M182 VanDerWaalsContact C-N 3.32Å; V180-V183 WeakPolarHBondContact O-CB 3.44Å; V180-V183 PolarHBondContact O-N 3.2Å; V180-D184 PolarHBondContact O-N 3.42Å; V180-L206 HydrophobicContact CG1-CD1 4.29Å; V180-L206 HydrophobicContact CG1-CD2 3.98Å; V180-L206 HydrophobicContact CG1-CG 4.49Å; V180-V226 HydrophobicContact CG1-CB 4.09Å; V180-V226 HydrophobicContact CG1-CG1 3.97Å; V180-V226 HydrophobicContact CG2-CG1 4.18Å; V180-L229 HydrophobicContact CB-CB 4.28Å; V180-L229 HydrophobicContact CB-CD1 3.75Å; V180-L229 HydrophobicContact CG2-CD1 4.09Å
181D98.1Very high98Very high46 Ų4623.2 Ų23.225%0.24611%0.114CC..Hα-helixtrans-62.3-38.9171.4172.686.3000111.8P138 I177 L179 D184 R185P138-D181 HydrophobicContact CG-CB 4.37Å; I177-D181 WeakPolarHBondContact O-CB 3.21Å; I177-D181 PolarHBondContact O-N 2.95Å; L179-D181 VanDerWaalsContact C-N 3.28Å; L179-D181 PolarHBondContact O-N 3.01Å; D181-D184 PolarHBondContact O-N 3.06Å; D181-R185 WeakPolarHBondContact O-CG 3.5Å; D181-R185 PolarHBondContact O-N 2.91Å; D181-R185 IonicContact OD1-NE 3.49Å; D181-R185 IonicContact OD2-CZ 3.48Å; D181-R185 IonicContact OD2-NE 4Å; D181-R185 PolarHBondContact OD2-NE 3.46Å; D181-R185 IonicContact OD2-NH2 3.23Å; D181-R185 PolarHBondContact OD2-NH2 3.28Å
182M97.9Very high98Very high2 Ų222.9 Ų22.91%0.0111%0.112CC..Hα-helixtrans-66.8-40.4173.5-64.6-174.6-171.500111.7I135 V137 L151 N178 L179 V180 D184 R185 F186 F188 V189 P190I135-M182 HydrophobicContact CG2-CE 4.43Å; V137-M182 HydrophobicContact CG1-CE 3.35Å; L151-M182 HydrophobicContact CD1-CE 4.24Å; N178-M182 PolarHBondContact O-N 2.72Å; L179-M182 WeakPolarHBondContact O-CB 3.37Å; L179-M182 PolarHBondContact O-N 3.04Å; L179-M182 VanDerWaalsContact O-N 3.13Å; V180-M182 VanDerWaalsContact C-N 3.32Å; M182-D184 VanDerWaalsContact C-N 3.26Å; M182-D184 PolarHBondContact O-N 3.09Å; M182-R185 PolarHBondContact O-N 2.95Å; M182-F186 HydrophobicContact CB-CD2 4.18Å; M182-F186 WeakPolarHBondContact O-CB 3.48Å; M182-F186 WeakPolarHBondContact O-CD2 3.48Å; M182-F186 PolarHBondContact O-N 3.31Å; M182-F188 CarbonylContact C-O 3.34Å; M182-V189 HydrophobicContact SD-CG1 4.31Å; M182-P190 HydrophobicContact SD-CG 4.47Å
183V98.5Very high97.9Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-61.1-39.2173.4179.80000110.9L179 V180 G187 V189 L206 L229 K232 E233L179-V183 PolarHBondContact O-N 3.24Å; L179-V183 VanDerWaalsContact O-N 3.13Å; V180-V183 WeakPolarHBondContact O-CB 3.44Å; V180-V183 PolarHBondContact O-N 3.2Å; V183-G187 WeakPolarHBondContact O-CA 3.28Å; V183-G187 PolarHBondContact O-N 3.16Å; V183-V189 HydrophobicContact CG2-CG2 3.46Å; V183-V189 VanDerWaalsContact CG2-CG2 3.46Å; V183-L206 HydrophobicContact CG2-CD2 3.73Å; V183-L229 HydrophobicContact CG1-CB 4.48Å; V183-L229 VanDerWaalsContact CG1-O 3.28Å; V183-L229 WeakPolarHBondContact CG1-O 3.33Å; V183-K232 HydrophobicContact CG1-CB 4.06Å; V183-K232 HydrophobicContact CG1-CD 4.19Å; V183-K232 HydrophobicContact CG1-CG 4.26Å; V183-E233 HydrophobicContact CG1-CB 3.92Å; V183-E233 HydrophobicContact CG2-CB 4.19Å
184D98.1Very high97.8Very high89 Ų8920.5 Ų20.548%0.47610%0.102SC..Hα-helixtrans-65.7-44.9178.3-165.934.9000111.7V180 D181 M182 L229 K232V180-D184 PolarHBondContact O-N 3.42Å; D181-D184 PolarHBondContact O-N 3.06Å; M182-D184 VanDerWaalsContact C-N 3.26Å; M182-D184 PolarHBondContact O-N 3.09Å; D184-L229 HydrophobicContact CB-CD2 3.86Å; D184-K232 PolarHBondContact O-NZ 2.92Å; D184-K232 IonicContact OD1-NZ 2.7Å; D184-K232 PolarHBondContact OD1-NZ 3.04Å
185R96.9Very high97.7Very high105 Ų10519.9 Ų19.940%0.39610%0.099SC..Hα-helixtrans-72.9-39.6-179.1-69.6-175.1-70.2149.9-5.6114.3V136 D181 M182V136-R185 PolarHBondContact O-NH1 3.16Å; V136-R185 PolarHBondContact O-NH2 3.09Å; D181-R185 WeakPolarHBondContact O-CG 3.5Å; D181-R185 PolarHBondContact O-N 2.91Å; D181-R185 IonicContact OD1-NE 3.49Å; D181-R185 IonicContact OD2-CZ 3.48Å; D181-R185 IonicContact OD2-NE 4Å; D181-R185 PolarHBondContact OD2-NE 3.46Å; D181-R185 IonicContact OD2-NH2 3.23Å; D181-R185 PolarHBondContact OD2-NH2 3.28Å; M182-R185 PolarHBondContact O-N 2.95Å
186F97Very high97.5Very high69 Ų6920.1 Ų20.130%0.30310%0.1SC..Hα-helixtrans-116.3-11.5-168.1-50.4-59.9000114I135 M182 F188 P190 L198I135-F186 HydrophobicContact CD1-CE2 4.18Å; I135-F186 HydrophobicContact CD1-CZ 4.43Å; I135-F186 HydrophobicContact CG2-CE2 3.95Å; I135-F186 HydrophobicContact CG2-CZ 4.21Å; M182-F186 HydrophobicContact CB-CD2 4.18Å; M182-F186 WeakPolarHBondContact O-CB 3.48Å; M182-F186 WeakPolarHBondContact O-CD2 3.48Å; M182-F186 PolarHBondContact O-N 3.31Å; F186-F188 VanDerWaalsContact C-N 3.31Å; F186-F188 HydrophobicContact CB-CE1 4.46Å; F186-F188 WeakPolarHBondContact O-CD1 3.04Å; F186-P190 HydrophobicContact CD2-CG 4.1Å; F186-L198 HydrophobicContact CB-CD2 4.48Å; F186-L198 HydrophobicContact CD1-CD2 3.71Å; F186-L198 HydrophobicContact CD2-CD2 3.82Å; F186-L198 HydrophobicContact CE1-CD1 4.27Å; F186-L198 HydrophobicContact CE1-CD2 3.78Å; F186-L198 HydrophobicContact CE2-CD2 3.9Å; F186-L198 HydrophobicContact CG-CD2 3.73Å; F186-L198 HydrophobicContact CZ-CD2 3.88Å
187G97Very high97.4Very high16 Ų1620.5 Ų20.517%0.16510%0.101CC..SBendtrans87.3-7.5-178.700000114.8V183 F236V183-G187 WeakPolarHBondContact O-CA 3.28Å; V183-G187 PolarHBondContact O-N 3.16Å; G187-F236 WeakPolarHBondContact O-CB 3.33Å
188F97.7Very high97.3Very high19 Ų1922.2 Ų22.28%0.08311%0.11CC..SBendtrans-156167.7177.163.9-80.6000109M182 F186 P190 L198 F236M182-F188 CarbonylContact C-O 3.34Å; F186-F188 VanDerWaalsContact C-N 3.31Å; F186-F188 HydrophobicContact CB-CE1 4.46Å; F186-F188 WeakPolarHBondContact O-CD1 3.04Å; F188-P190 HydrophobicContact CE2-CB 4.4Å; F188-P190 HydrophobicContact CE2-CG 4.38Å; F188-P190 WeakPolarHBondContact O-CD 3.47Å; F188-L198 WeakPolarHBondContact CZ-O 3.49Å; F188-F236 HydrophobicContact CB-CB 4.32Å; F188-F236 HydrophobicContact CB-CD1 3.53Å; F188-F236 HydrophobicContact CB-CD2 4.02Å; F188-F236 HydrophobicContact CB-CE1 3.7Å; F188-F236 HydrophobicContact CB-CE2 4.16Å; F188-F236 HydrophobicContact CB-CG 3.69Å; F188-F236 HydrophobicContact CB-CZ 4Å; F188-F236 AromaticContact CD1-CD2 3.74Å; F188-F236 HydrophobicContact CD1-CD2 3.74Å; F188-F236 HydrophobicContact CD1-CE1 4.42Å; F188-F236 AromaticContact CD1-CE2 3.46Å; F188-F236 HydrophobicContact CD1-CE2 3.46Å; F188-F236 VanDerWaalsContact CD1-CE2 3.46Å; F188-F236 HydrophobicContact CD1-CG 4.31Å; F188-F236 AromaticContact CD1-CZ 3.83Å; F188-F236 HydrophobicContact CD1-CZ 3.83Å; F188-F236 HydrophobicContact CD2-CE1 4.29Å; F188-F236 HydrophobicContact CD2-CZ 4.05Å; F188-F236 AromaticContact CE1-CE2 3.95Å; F188-F236 HydrophobicContact CE1-CE2 3.95Å; F188-F236 HydrophobicContact CE1-CZ 4.33Å; F188-F236 HydrophobicContact CG-CD1 4.17Å; F188-F236 HydrophobicContact CG-CD2 4.09Å; F188-F236 AromaticContact CG-CE1 3.9Å; F188-F236 HydrophobicContact CG-CE1 3.9Å; F188-F236 AromaticContact CG-CE2 3.8Å; F188-F236 HydrophobicContact CG-CE2 3.8Å; F188-F236 HydrophobicContact CG-CG 4.26Å; F188-F236 AromaticContact CG-CZ 3.68Å; F188-F236 HydrophobicContact CG-CZ 3.68Å
189V98.5Very high97.1Very high1 Ų125 Ų251%0.00613%0.125CC..  trans-85.9117.5170.1-171.90000109.1Y153 L179 M182 V183 S201 L206Y153-V189 HydrophobicContact CD1-CB 3.56Å; Y153-V189 HydrophobicContact CD1-CG1 3.88Å; Y153-V189 HydrophobicContact CD1-CG2 4.41Å; Y153-V189 HydrophobicContact CD2-CB 3.83Å; Y153-V189 HydrophobicContact CD2-CG1 3.6Å; Y153-V189 HydrophobicContact CD2-CG2 4.09Å; Y153-V189 HydrophobicContact CE1-CB 3.66Å; Y153-V189 HydrophobicContact CE1-CG1 4.4Å; Y153-V189 HydrophobicContact CE1-CG2 4.11Å; Y153-V189 HydrophobicContact CE2-CB 4Å; Y153-V189 HydrophobicContact CE2-CG1 4.23Å; Y153-V189 HydrophobicContact CE2-CG2 3.85Å; Y153-V189 HydrophobicContact CG-CB 3.65Å; Y153-V189 HydrophobicContact CG-CG1 3.44Å; Y153-V189 VanDerWaalsContact CG-CG1 3.44Å; Y153-V189 HydrophobicContact CG-CG2 4.41Å; L179-V189 HydrophobicContact CB-CG2 4.33Å; L179-V189 HydrophobicContact CD2-CG1 3.77Å; M182-V189 HydrophobicContact SD-CG1 4.31Å; V183-V189 HydrophobicContact CG2-CG2 3.46Å; V183-V189 VanDerWaalsContact CG2-CG2 3.46Å; V189-S201 WeakPolarHBondContact O-CA 3.43Å; V189-S201 PolarHBondContact O-OG 3.17Å; V189-L206 HydrophobicContact CG2-CD2 3.95Å
190P98.2Very high97Very high1 Ų125 Ų251%0.00613%0.125CC..  trans-59.9157.4174.1-2133.6000111.9I135 M182 F186 F188 G192 L198 R200I135-P190 HydrophobicContact CD1-CG 4.37Å; M182-P190 HydrophobicContact SD-CG 4.47Å; F186-P190 HydrophobicContact CD2-CG 4.1Å; F188-P190 HydrophobicContact CE2-CB 4.4Å; F188-P190 HydrophobicContact CE2-CG 4.38Å; F188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-G192 PolarHBondContact O-N 3.48Å; P190-G192 VanDerWaalsContact O-N 3.14Å; P190-L198 HydrophobicContact CB-CD2 4.46Å; P190-L198 HydrophobicContact CG-CD2 3.76Å; P190-R200 CarbonylContact C-O 3.39Å; P190-R200 WeakPolarHBondContact CA-O 3.47Å
191N97.4Very high97Very high6 Ų624.7 Ų24.73%0.03212%0.123CC..SBendtrans-45.8-48.1177.1-177.2-40.9000112.1Y152 Y153 Y197 R200 S201 Q202 C292Y152-N191 WeakPolarHBondContact CA-O 3.13Å; Y152-N191 WeakPolarHBondContact CD1-OD1 3.46Å; Y152-N191 WeakPolarHBondContact CE1-OD1 2.85Å; Y153-N191 PolarHBondContact N-O 3.25Å; N191-Y197 HydrophobicContact CB-CD1 4Å; N191-Y197 HydrophobicContact CB-CG 4.08Å; N191-R200 HydrophobicContact CB-CG 4.04Å; N191-R200 PolarHBondContact N-O 3.47Å; N191-S201 WeakPolarHBondContact CB-O 3.24Å; N191-Q202 HydrophobicContact CB-CG 4.33Å; N191-Q202 PolarHBondContact O-OE1 3.39Å; N191-Q202 PolarHBondContact OD1-NE2 3.17Å; N191-C292 PolarHBondContact ND2-O 2.88Å
192G96.9Very high97Very high1 Ų122.9 Ų22.91%0.0111%0.113CC..BIsolated β-bridgetrans-146.2175.5167.300000113.2L151 P190 R194 Y197L151-G192 CarbonylContact O-C 3.46Å; L151-G192 WeakPolarHBondContact O-CA 3.39Å; P190-G192 PolarHBondContact O-N 3.48Å; P190-G192 VanDerWaalsContact O-N 3.14Å; G192-R194 PolarHBondContact O-N 2.81Å; G192-Y197 WeakPolarHBondContact O-CB 3.48Å; G192-Y197 WeakPolarHBondContact O-CD2 3.4Å
193G96.2Very high97Very high3 Ų322.8 Ų22.83%0.03111%0.113CC..SBendtrans-72.944.9-175.500000115.4L134 I135 L151L134-G193 WeakPolarHBondContact CD1-O 3.41Å; I135-G193 PolarHBondContact N-O 3.39Å; L151-G193 PolarHBondContact O-N 3.4Å
194R96.7Very high97Very high1 Ų122.8 Ų22.80%0.00411%0.113CC..BIsolated β-bridgetrans-132.5147.2178.7-64.8-88.6-179.3-170.7-1.5111.5D39 E79 S133 I135 E150 G192 Y196 Y197D39-R194 IonicContact OD1-CZ 3.56Å; D39-R194 IonicContact OD1-NE 3.28Å; D39-R194 PolarHBondContact OD1-NE 3.47Å; D39-R194 IonicContact OD1-NH2 3.76Å; D39-R194 IonicContact OD2-NH2 2.84Å; E79-R194 IonicContact OE1-CZ 3.84Å; E79-R194 VanDerWaalsContact OE1-CZ 3.26Å; E79-R194 IonicContact OE1-NH1 3.04Å; E79-R194 PolarHBondContact OE1-NH1 3.16Å; E79-R194 IonicContact OE1-NH2 3.84Å; E79-R194 PolarHBondContact OE1-NH2 3.24Å; S133-R194 CarbonylContact O-C 3.53Å; S133-R194 WeakPolarHBondContact O-CA 3.49Å; S133-R194 VanDerWaalsContact OG-CD 3.27Å; S133-R194 WeakPolarHBondContact OG-CD 3.35Å; S133-R194 PolarHBondContact OG-NH1 2.85Å; I135-R194 WeakPolarHBondContact CD1-O 3.47Å; E150-R194 HydrophobicContact CB-CG 4.41Å; E150-R194 HydrophobicContact CG-CG 3.93Å; E150-R194 IonicContact OE2-CZ 3.25Å; E150-R194 IonicContact OE2-NE 3.48Å; E150-R194 PolarHBondContact OE2-NE 3.15Å; E150-R194 IonicContact OE2-NH2 2.69Å; E150-R194 PolarHBondContact OE2-NH2 2.9Å; E150-R194 VanDerWaalsContact OE2-NH2 3.16Å; G192-R194 PolarHBondContact O-N 2.81Å; R194-Y196 HydrophobicContact CB-CD1 4.02Å; R194-Y196 HydrophobicContact CB-CD2 4.08Å; R194-Y196 HydrophobicContact CB-CE1 3.65Å; R194-Y196 HydrophobicContact CB-CE2 3.69Å; R194-Y196 HydrophobicContact CB-CG 4.23Å; R194-Y196 VanDerWaalsContact CB-CZ 3.47Å; R194-Y196 HydrophobicContact CG-CE1 3.92Å; R194-Y196 HydrophobicContact CG-CE2 4.12Å; R194-Y196 WeakPolarHBondContact CG-OH 3.21Å; R194-Y196 PolarHBondContact O-N 3.37Å; R194-Y197 HydrophobicContact CB-CD2 3.73Å; R194-Y197 HydrophobicContact CB-CE2 4.15Å; R194-Y197 HydrophobicContact CG-CD2 4.33Å; R194-Y197 HydrophobicContact CG-CE2 4.33Å; R194-Y197 WeakPolarHBondContact O-CB 3.36Å; R194-Y197 PolarHBondContact O-N 2.91Å
195I95.8Very high97Very high24 Ų2418.6 Ų18.612%0.1239%0.09CC..G310 helixtrans-62.2-29-176.662.9173.3000113.3D12 F16 S133 I135 Y197 L198D12-I195 HydrophobicContact CB-CD1 4.18Å; F16-I195 HydrophobicContact CB-CD1 4.14Å; F16-I195 HydrophobicContact CD2-CD1 4.06Å; S133-I195 PolarHBondContact O-N 3.29Å; I135-I195 HydrophobicContact CG1-CG2 4.13Å; I195-Y197 PolarHBondContact O-N 3.49Å; I195-L198 HydrophobicContact CB-CD1 4.23Å; I195-L198 HydrophobicContact CG2-CD1 4.42Å; I195-L198 WeakPolarHBondContact O-CB 3.34Å; I195-L198 WeakPolarHBondContact O-CG 3.33Å; I195-L198 PolarHBondContact O-N 3.37Å
196Y95.3Very high97.1Very high6 Ų613.6 Ų13.62%0.0247%0.071CC..G310 helixtrans-75.3-2.1175.954.7-108.5000113.7V38 D39 R194 R200 E268V38-Y196 HydrophobicContact CB-CD1 4.1Å; V38-Y196 HydrophobicContact CB-CE1 3.78Å; V38-Y196 HydrophobicContact CG2-CD1 4.25Å; V38-Y196 HydrophobicContact CG2-CE1 3.63Å; D39-Y196 PolarHBondContact OD1-OH 3.1Å; R194-Y196 HydrophobicContact CB-CD1 4.02Å; R194-Y196 HydrophobicContact CB-CD2 4.08Å; R194-Y196 HydrophobicContact CB-CE1 3.65Å; R194-Y196 HydrophobicContact CB-CE2 3.69Å; R194-Y196 HydrophobicContact CB-CG 4.23Å; R194-Y196 VanDerWaalsContact CB-CZ 3.47Å; R194-Y196 HydrophobicContact CG-CE1 3.92Å; R194-Y196 HydrophobicContact CG-CE2 4.12Å; R194-Y196 WeakPolarHBondContact CG-OH 3.21Å; R194-Y196 PolarHBondContact O-N 3.37Å; Y196-R200 PolarHBondContact O-NH1 3.04Å; Y196-E268 HydrophobicContact CD2-CB 4.44Å; Y196-E268 HydrophobicContact CE2-CB 3.98Å; Y196-E268 HydrophobicContact CE2-CG 4.49Å
197Y96.6Very high97.2Very high8 Ų810.4 Ų10.43%0.0316%0.058CC..G310 helixtrans-98.4-4169.8-66.7-45.8000113.6Y152 N191 G192 R194 I195 D199 R200 E268Y152-Y197 HydrophobicContact CE1-CE2 4.25Å; Y152-Y197 PolarHBondContact OH-OH 2.86Å; N191-Y197 HydrophobicContact CB-CD1 4Å; N191-Y197 HydrophobicContact CB-CG 4.08Å; G192-Y197 WeakPolarHBondContact O-CB 3.48Å; G192-Y197 WeakPolarHBondContact O-CD2 3.4Å; R194-Y197 HydrophobicContact CB-CD2 3.73Å; R194-Y197 HydrophobicContact CB-CE2 4.15Å; R194-Y197 HydrophobicContact CG-CD2 4.33Å; R194-Y197 HydrophobicContact CG-CE2 4.33Å; R194-Y197 WeakPolarHBondContact O-CB 3.36Å; R194-Y197 PolarHBondContact O-N 2.91Å; I195-Y197 PolarHBondContact O-N 3.49Å; Y197-D199 PolarHBondContact O-N 2.95Å; Y197-R200 VanDerWaalsContact CD1-NH2 3.26Å; Y197-R200 VanDerWaalsContact CE1-NH2 3.3Å; Y197-R200 PolarHBondContact O-N 3.32Å; Y197-R200 VanDerWaalsContact O-N 3.08Å; Y197-E268 HydrophobicContact CE1-CG 4.44Å
198L95.4Very high97.2Very high62 Ų629.8 Ų9.833%0.3255%0.051SC..THydrogen-bonded Turntrans-66.4-1.7-177.6-69.5175.3000115I135 F186 F188 P190 I195I135-L198 HydrophobicContact CD1-CD2 3.72Å; I135-L198 HydrophobicContact CD1-CG 4.12Å; F186-L198 HydrophobicContact CB-CD2 4.48Å; F186-L198 HydrophobicContact CD1-CD2 3.71Å; F186-L198 HydrophobicContact CD2-CD2 3.82Å; F186-L198 HydrophobicContact CE1-CD1 4.27Å; F186-L198 HydrophobicContact CE1-CD2 3.78Å; F186-L198 HydrophobicContact CE2-CD2 3.9Å; F186-L198 HydrophobicContact CG-CD2 3.73Å; F186-L198 HydrophobicContact CZ-CD2 3.88Å; F188-L198 WeakPolarHBondContact CZ-O 3.49Å; P190-L198 HydrophobicContact CB-CD2 4.46Å; P190-L198 HydrophobicContact CG-CD2 3.76Å; I195-L198 HydrophobicContact CB-CD1 4.23Å; I195-L198 HydrophobicContact CG2-CD1 4.42Å; I195-L198 WeakPolarHBondContact O-CB 3.34Å; I195-L198 WeakPolarHBondContact O-CG 3.33Å; I195-L198 PolarHBondContact O-N 3.37Å
199D93.8Very high97.3Very high58 Ų588.9 Ų8.931%0.315%0.047SC..THydrogen-bonded Turntrans-95-8.5174.562.734.7000114Y197 V262Y197-D199 PolarHBondContact O-N 2.95Å; D199-V262 HydrophobicContact CB-CG2 3.86Å; D199-V262 VanDerWaalsContact CG-CG2 3.42Å; D199-V262 VanDerWaalsContact OD2-CG2 3.26Å; D199-V262 WeakPolarHBondContact OD2-CG2 3.46Å
200R96.5Very high97.3Very high2 Ų28.9 Ų8.91%0.0085%0.047CC..  trans-149.1143.2-170.965.3-169.8171.5-78.66.5113.3P190 N191 Y196 Y197 T260 E268 A289 E293P190-R200 CarbonylContact C-O 3.39Å; P190-R200 WeakPolarHBondContact CA-O 3.47Å; N191-R200 HydrophobicContact CB-CG 4.04Å; N191-R200 PolarHBondContact N-O 3.47Å; Y196-R200 PolarHBondContact O-NH1 3.04Å; Y197-R200 VanDerWaalsContact CD1-NH2 3.26Å; Y197-R200 VanDerWaalsContact CE1-NH2 3.3Å; Y197-R200 PolarHBondContact O-N 3.32Å; Y197-R200 VanDerWaalsContact O-N 3.08Å; R200-T260 HydrophobicContact CB-CG2 3.46Å; R200-T260 VanDerWaalsContact CB-CG2 3.46Å; R200-E268 IonicContact CZ-OE1 3.29Å; R200-E268 IonicContact NH2-OE1 3.98Å; R200-E268 PolarHBondContact NH2-OE1 3.38Å; R200-E268 IonicContact NH2-OE2 3.98Å; R200-E268 PolarHBondContact NH2-OE2 2.92Å; R200-E268 VanDerWaalsContact NH2-OE2 3.1Å; R200-A289 WeakPolarHBondContact CD-O 3.12Å; R200-E293 WeakPolarHBondContact CA-OE1 3.44Å; R200-E293 HydrophobicContact CB-CB 4.13Å; R200-E293 HydrophobicContact CB-CG 4.3Å
201S98Very high97.3Very high0 Ų010.8 Ų10.80%05%0.054CC..  trans-88.9-159.2174.4-166.90000111.1V189 N191 W237 E293V189-S201 WeakPolarHBondContact O-CA 3.43Å; V189-S201 PolarHBondContact O-OG 3.17Å; N191-S201 WeakPolarHBondContact CB-O 3.24Å; S201-W237 WeakPolarHBondContact OG-CZ2 3.22Å; S201-E293 PolarHBondContact N-OE1 3.17Å; S201-E293 WeakPolarHBondContact O-CA 3.24Å; S201-E293 WeakPolarHBondContact O-CG 3.31Å
202Q97.9Very high97.3Very high7 Ų711.5 Ų11.53%0.0336%0.058CC..  trans-140.6178.2161.6-112.3-176.4-7.800109.8Y153 W154 N191 W237 E293Y153-Q202 HydrophobicContact CD1-CB 3.91Å; Y153-Q202 HydrophobicContact CG-CB 4.28Å; Y153-Q202 VanDerWaalsContact N-OE1 3.15Å; W154-Q202 VanDerWaalsContact CD1-NE2 3.33Å; W154-Q202 VanDerWaalsContact N-OE1 3.1Å; N191-Q202 HydrophobicContact CB-CG 4.33Å; N191-Q202 PolarHBondContact O-OE1 3.39Å; N191-Q202 PolarHBondContact OD1-NE2 3.17Å; Q202-W237 VanDerWaalsContact O-CZ2 3.24Å; Q202-W237 WeakPolarHBondContact O-CZ2 3.49Å; Q202-E293 VanDerWaalsContact CA-O 3.27Å; Q202-E293 WeakPolarHBondContact CA-O 3.33Å
203P98.6Very high97.4Very high0 Ų012 Ų120%06%0.06CC..  trans-48.2126.8177-32.639.8000113.5W154 L205 S294 F329W154-P203 HydrophobicContact CB-CB 4.13Å; W154-P203 HydrophobicContact CB-CG 4.43Å; W154-P203 HydrophobicContact CD2-CB 4.37Å; W154-P203 HydrophobicContact CD2-CG 3.92Å; W154-P203 HydrophobicContact CE3-CB 3.82Å; W154-P203 HydrophobicContact CE3-CG 3.46Å; W154-P203 VanDerWaalsContact CE3-CG 3.46Å; W154-P203 HydrophobicContact CG-CG 4.35Å; W154-P203 HydrophobicContact CZ3-CG 3.93Å; P203-L205 PolarHBondContact O-N 2.86Å; P203-S294 VanDerWaalsContact CG-O 3.25Å; P203-S294 WeakPolarHBondContact CG-O 3.47Å; P203-F329 HydrophobicContact CB-CD2 4.07Å; P203-F329 HydrophobicContact CB-CE2 3.76Å; P203-F329 HydrophobicContact CB-CZ 4.49Å; P203-F329 HydrophobicContact CG-CE2 4.49Å
204P98.4Very high97.5Very high0 Ų013.1 Ų13.10%06%0.064CC..  trans-83.378.4-161.831.6-35.9000113.7Y153 W237 L326 F329 M330 N333Y153-P204 WeakPolarHBondContact OH-CA 3.43Å; P204-W237 HydrophobicContact CB-CD2 4.47Å; P204-W237 HydrophobicContact CB-CZ2 3.89Å; P204-W237 HydrophobicContact CG-CD2 4.33Å; P204-W237 HydrophobicContact CG-CZ2 4.02Å; P204-L326 HydrophobicContact CG-CD1 4.02Å; P204-F329 HydrophobicContact CG-CB 4.15Å; P204-M330 HydrophobicContact CB-SD 4.39Å; P204-M330 HydrophobicContact CG-SD 3.69Å; P204-N333 PolarHBondContact O-ND2 2.88Å; P204-N333 PolarHBondContact O-OD1 3.02Å
205L98.5Very high97.6Very high1 Ų117.4 Ų17.41%0.0059%0.087CC..  trans-98.64.3-176-65.2177.5000114.5Y153 W154 Y157 W158 P203 T207 S208 C209 F329 F399Y153-L205 PolarHBondContact OH-N 3.1Å; W154-L205 HydrophobicContact CB-CD1 4.25Å; Y157-L205 HydrophobicContact CD1-CD1 3.91Å; Y157-L205 HydrophobicContact CG-CB 4.25Å; Y157-L205 HydrophobicContact CG-CD1 4.03Å; W158-L205 HydrophobicContact CH2-CD1 3.78Å; W158-L205 HydrophobicContact CZ2-CD1 4.3Å; W158-L205 HydrophobicContact CZ3-CD1 4.25Å; P203-L205 PolarHBondContact O-N 2.86Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.98Å; L205-S208 CarbonylContact O-C 2.95Å; L205-S208 WeakPolarHBondContact O-CA 3.39Å; L205-S208 VanDerWaalsContact O-CB 3.24Å; L205-S208 WeakPolarHBondContact O-CB 3.42Å; L205-S208 PolarHBondContact O-N 2.63Å; L205-C209 PolarHBondContact O-N 3.27Å; L205-C209 PolarHBondContact O-SG 3.14Å; L205-F329 HydrophobicContact CD2-CD1 3.78Å; L205-F329 HydrophobicContact CD2-CE1 3.88Å; L205-F329 HydrophobicContact CD2-CG 4.48Å; L205-F399 HydrophobicContact CD2-CE1 4.24Å
206L98.7Very high97.6Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-57.8-39.1-179.8-176.656.1000112.9Y153 L179 V180 V183 V189 S208 C209 V210 L230 E233Y153-L206 HydrophobicContact CE2-CB 3.77Å; Y153-L206 WeakPolarHBondContact OH-CB 3.38Å; Y153-L206 PolarHBondContact OH-N 2.68Å; L179-L206 HydrophobicContact CB-CD1 3.6Å; L179-L206 HydrophobicContact CB-CD2 4.42Å; L179-L206 HydrophobicContact CD1-CD1 3.74Å; L179-L206 HydrophobicContact CG-CD1 4.34Å; V180-L206 HydrophobicContact CG1-CD1 4.29Å; V180-L206 HydrophobicContact CG1-CD2 3.98Å; V180-L206 HydrophobicContact CG1-CG 4.49Å; V183-L206 HydrophobicContact CG2-CD2 3.73Å; V189-L206 HydrophobicContact CG2-CD2 3.95Å; L206-S208 VanDerWaalsContact C-N 3.27Å; L206-S208 PolarHBondContact O-N 3.05Å; L206-C209 WeakPolarHBondContact O-CB 3.48Å; L206-C209 PolarHBondContact O-N 3.06Å; L206-V210 PolarHBondContact O-N 3.27Å; L206-L230 HydrophobicContact CB-CD2 4.34Å; L206-L230 HydrophobicContact CD2-CD2 3.88Å; L206-L230 HydrophobicContact CG-CD2 3.59Å; L206-E233 WeakPolarHBondContact CB-OE2 3.44Å
207T98.6Very high97.7Very high2 Ų221.9 Ų21.91%0.01212%0.116CC..Hα-helixtrans-61.8-38.2174.5-60.90000111.1L205 V210 Y211 M336 L337 L340L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.98Å; T207-V210 PolarHBondContact O-N 2.89Å; T207-Y211 VanDerWaalsContact O-CB 3.25Å; T207-Y211 WeakPolarHBondContact O-CB 3.45Å; T207-Y211 PolarHBondContact O-N 3.47Å; T207-M336 HydrophobicContact CG2-CB 3.58Å; T207-M336 HydrophobicContact CG2-CE 4.4Å; T207-L337 HydrophobicContact CG2-CD2 4.19Å; T207-L337 HydrophobicContact CG2-CG 3.98Å; T207-L340 HydrophobicContact CG2-CD1 4.39Å
208S98.4Very high97.8Very high4 Ų423.6 Ų23.63%0.02814%0.136CC..Hα-helixtrans-65.7-42174.9-53.70000111.5Y157 L205 L206 V210 Y211 D212 M336Y157-S208 VanDerWaalsContact CE2-CB 3.48Å; L205-S208 CarbonylContact O-C 2.95Å; L205-S208 WeakPolarHBondContact O-CA 3.39Å; L205-S208 VanDerWaalsContact O-CB 3.24Å; L205-S208 WeakPolarHBondContact O-CB 3.42Å; L205-S208 PolarHBondContact O-N 2.63Å; L206-S208 VanDerWaalsContact C-N 3.27Å; L206-S208 PolarHBondContact O-N 3.05Å; S208-V210 PolarHBondContact O-N 3.34Å; S208-Y211 PolarHBondContact O-N 3.49Å; S208-D212 WeakPolarHBondContact O-CB 3.44Å; S208-D212 PolarHBondContact O-N 3.48Å; S208-M336 VanDerWaalsContact OG-CE 3.31Å; S208-M336 WeakPolarHBondContact OG-CE 3.47Å
209C98.7Very high97.9Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-56.7-50175.4-61.20000111.5I160 I176 L205 L206 Y213I160-C209 HydrophobicContact CD1-CB 3.69Å; I176-C209 HydrophobicContact CG1-CB 4.3Å; L205-C209 PolarHBondContact O-N 3.27Å; L205-C209 PolarHBondContact O-SG 3.14Å; L206-C209 WeakPolarHBondContact O-CB 3.48Å; L206-C209 PolarHBondContact O-N 3.06Å; C209-Y213 VanDerWaalsContact O-CB 3.29Å; C209-Y213 WeakPolarHBondContact O-CB 3.32Å; C209-Y213 PolarHBondContact O-N 3.02Å
210V98.8Very high98.1Very high1 Ų122.6 Ų22.61%0.00613%0.13CC..Hα-helixtrans-65.6-41.3178.8174.90000111.2I176 L206 T207 S208 F214 L223 V226 L230 L340I176-V210 HydrophobicContact CG2-CG2 3.79Å; L206-V210 PolarHBondContact O-N 3.27Å; T207-V210 PolarHBondContact O-N 2.89Å; S208-V210 PolarHBondContact O-N 3.34Å; V210-F214 WeakPolarHBondContact O-CB 3.27Å; V210-F214 PolarHBondContact O-N 3.29Å; V210-L223 HydrophobicContact CG1-CD1 4.08Å; V210-V226 HydrophobicContact CG1-CG2 3.7Å; V210-V226 HydrophobicContact CG2-CG2 3.97Å; V210-L230 HydrophobicContact CB-CD1 4.08Å; V210-L230 HydrophobicContact CG1-CD1 4.11Å; V210-L230 HydrophobicContact CG2-CD1 4.16Å; V210-L230 HydrophobicContact CG2-CD2 4.03Å; V210-L340 HydrophobicContact CG1-CD1 4.17Å
211Y98.5Very high98.2Very high41 Ų4129.6 Ų29.616%0.16116%0.162CC..Hα-helixtrans-62.8-48179.7-177.1-97000112.4T207 S208 F214 N215 M336 K339 L340T207-Y211 VanDerWaalsContact O-CB 3.25Å; T207-Y211 WeakPolarHBondContact O-CB 3.45Å; T207-Y211 PolarHBondContact O-N 3.47Å; S208-Y211 PolarHBondContact O-N 3.49Å; Y211-F214 PolarHBondContact O-N 2.84Å; Y211-N215 WeakPolarHBondContact CD1-ND2 3.19Å; Y211-N215 WeakPolarHBondContact CE1-ND2 3.36Å; Y211-N215 WeakPolarHBondContact O-CB 3.21Å; Y211-N215 PolarHBondContact O-N 3.13Å; Y211-N215 PolarHBondContact O-ND2 3.02Å; Y211-M336 HydrophobicContact CD1-CG 4.22Å; Y211-M336 HydrophobicContact CD1-SD 4.19Å; Y211-M336 HydrophobicContact CD2-CB 4.14Å; Y211-M336 HydrophobicContact CD2-CG 4.06Å; Y211-M336 HydrophobicContact CE2-CG 4.47Å; Y211-M336 HydrophobicContact CG-CB 4.3Å; Y211-M336 HydrophobicContact CG-CG 3.93Å; Y211-M336 HydrophobicContact CG-SD 4.1Å; Y211-K339 HydrophobicContact CE2-CB 3.97Å; Y211-K339 HydrophobicContact CE2-CD 3.72Å; Y211-K339 WeakPolarHBondContact OH-CD 3.46Å; Y211-K339 PolarHBondContact OH-NZ 3.03Å; Y211-L340 HydrophobicContact CD2-CD2 3.88Å; Y211-L340 HydrophobicContact CD2-CG 4.04Å
212D97.9Very high98.1Very high20 Ų2029.7 Ų29.711%0.10716%0.163CC..Hα-helixtrans-68.1-39.9179.9-73.1-11.5000111.3Y157 K161 L164 S208 T216Y157-D212 VanDerWaalsContact CE2-OD2 3.23Å; Y157-D212 WeakPolarHBondContact CE2-OD2 3.31Å; Y157-D212 PolarHBondContact OH-OD2 3.35Å; K161-D212 WeakPolarHBondContact CE-OD2 3.47Å; K161-D212 IonicContact NZ-OD2 3.23Å; L164-D212 HydrophobicContact CD1-CB 4.32Å; S208-D212 WeakPolarHBondContact O-CB 3.44Å; S208-D212 PolarHBondContact O-N 3.48Å; D212-T216 WeakPolarHBondContact O-CB 3.39Å; D212-T216 PolarHBondContact O-N 3.39Å; D212-T216 PolarHBondContact O-OG1 2.83Å
213Y98.7Very high98.1Very high11 Ų1129.5 Ų29.54%0.04316%0.162CC..Hα-helixtrans-62-47.5173.5173.5-94.9000112.1L164 Y169 A172 K173 I176 C209 T216 T217 D219 L222L164-Y213 HydrophobicContact CD2-CD2 4.17Å; Y169-Y213 WeakPolarHBondContact O-CE2 3.49Å; A172-Y213 HydrophobicContact CB-CD2 4.19Å; K173-Y213 HydrophobicContact CB-CE2 3.87Å; I176-Y213 HydrophobicContact CD1-CD1 4.14Å; I176-Y213 HydrophobicContact CD1-CD2 4.22Å; I176-Y213 HydrophobicContact CD1-CG 3.69Å; C209-Y213 VanDerWaalsContact O-CB 3.29Å; C209-Y213 WeakPolarHBondContact O-CB 3.32Å; C209-Y213 PolarHBondContact O-N 3.02Å; Y213-T216 PolarHBondContact O-N 3.4Å; Y213-T217 HydrophobicContact CD2-CG2 4.05Å; Y213-T217 WeakPolarHBondContact CE1-OG1 3.12Å; Y213-T217 HydrophobicContact CE2-CG2 3.67Å; Y213-T217 WeakPolarHBondContact O-CB 3.38Å; Y213-T217 WeakPolarHBondContact O-CG2 3.45Å; Y213-T217 PolarHBondContact O-N 3.11Å; Y213-T217 PolarHBondContact O-OG1 2.76Å; Y213-D219 HydrophobicContact CE1-CB 3.67Å; Y213-D219 PolarHBondContact OH-OD2 2.86Å; Y213-L222 HydrophobicContact CD1-CD2 3.68Å; Y213-L222 HydrophobicContact CE1-CB 4.47Å; Y213-L222 HydrophobicContact CE1-CD2 3.27Å; Y213-L222 HydrophobicContact CE1-CG 4.47Å
214F98.5Very high98.1Very high27 Ų2735.1 Ų35.112%0.11819%0.189CC..Hα-helixtrans-64.7-43.7-178.8175.8-106.4000112V210 Y211 T216 T217 G218 M220 L223 L340 A343V210-F214 WeakPolarHBondContact O-CB 3.27Å; V210-F214 PolarHBondContact O-N 3.29Å; Y211-F214 PolarHBondContact O-N 2.84Å; F214-T216 PolarHBondContact O-N 3.31Å; F214-T217 PolarHBondContact O-N 3.01Å; F214-G218 WeakPolarHBondContact O-CA 3.23Å; F214-G218 PolarHBondContact O-N 3.13Å; F214-M220 HydrophobicContact CE2-CG 4.15Å; F214-M220 HydrophobicContact CE2-SD 3.4Å; F214-M220 WeakPolarHBondContact CE2-SD 3.28Å; F214-M220 HydrophobicContact CZ-SD 3.47Å; F214-M220 WeakPolarHBondContact CZ-SD 3.39Å; F214-L223 HydrophobicContact CD1-CD2 4.15Å; F214-L223 HydrophobicContact CD2-CB 4.01Å; F214-L223 HydrophobicContact CD2-CD2 3.79Å; F214-L223 HydrophobicContact CD2-CG 4.41Å; F214-L223 HydrophobicContact CE1-CD2 3.98Å; F214-L223 HydrophobicContact CE2-CB 4.29Å; F214-L223 HydrophobicContact CE2-CD2 3.62Å; F214-L223 HydrophobicContact CG-CD2 4.06Å; F214-L223 HydrophobicContact CZ-CD2 3.71Å; F214-L340 HydrophobicContact CB-CD2 4.42Å; F214-L340 HydrophobicContact CD1-CD2 3.96Å; F214-L340 HydrophobicContact CG-CD2 4.39Å; F214-A343 HydrophobicContact CE1-CB 3.9Å; F214-A343 HydrophobicContact CZ-CB 4.16Å
215N97.4Very high98Very high92 Ų9240.8 Ų40.849%0.49222%0.215SC..Hα-helixtrans-64-27.9177.2-73.9-27.7000113Y211Y211-N215 WeakPolarHBondContact CD1-ND2 3.19Å; Y211-N215 WeakPolarHBondContact CE1-ND2 3.36Å; Y211-N215 WeakPolarHBondContact O-CB 3.21Å; Y211-N215 PolarHBondContact O-N 3.13Å; Y211-N215 PolarHBondContact O-ND2 3.02Å
216T96.9Very high98Very high74 Ų7440.8 Ų40.845%0.45422%0.215SC..Hα-helixtrans-81.2-38.9179-54.40000111.9L164 Y169 D212 Y213 F214L164-T216 HydrophobicContact CD2-CG2 4.27Å; Y169-T216 HydrophobicContact CD1-CG2 4.25Å; Y169-T216 HydrophobicContact CE1-CG2 3.65Å; D212-T216 WeakPolarHBondContact O-CB 3.39Å; D212-T216 PolarHBondContact O-N 3.39Å; D212-T216 PolarHBondContact O-OG1 2.83Å; Y213-T216 PolarHBondContact O-N 3.4Å; F214-T216 PolarHBondContact O-N 3.31Å
217T97.8Very high97.9Very high49 Ų4941.1 Ų41.130%0.30122%0.217SC..Hα-helixtrans-107.9-25.8-168.2610000114.7Y169 Y213 F214 D219Y169-T217 HydrophobicContact CD1-CG2 3.96Å; Y169-T217 HydrophobicContact CG-CG2 4.13Å; Y213-T217 HydrophobicContact CD2-CG2 4.05Å; Y213-T217 WeakPolarHBondContact CE1-OG1 3.12Å; Y213-T217 HydrophobicContact CE2-CG2 3.67Å; Y213-T217 WeakPolarHBondContact O-CB 3.38Å; Y213-T217 WeakPolarHBondContact O-CG2 3.45Å; Y213-T217 PolarHBondContact O-N 3.11Å; Y213-T217 PolarHBondContact O-OG1 2.76Å; F214-T217 PolarHBondContact O-N 3.01Å; T217-D219 PolarHBondContact O-N 3.34Å; T217-D219 WeakPolarHBondContact OG1-CB 3.42Å; T217-D219 PolarHBondContact OG1-N 3.5Å
218G97.7Very high97.9Very high44 Ų4445 Ų4545%0.45424%0.242SC..  trans66.917.7-170.800000114.5F214 M220F214-G218 WeakPolarHBondContact O-CA 3.23Å; F214-G218 PolarHBondContact O-N 3.13Å; G218-M220 VanDerWaalsContact C-N 3.33Å; G218-M220 PolarHBondContact O-N 3.07Å
219D98.1Very high97.9Very high28 Ų2846.2 Ų46.215%0.1525%0.248CC..  trans-6884.7-176.8-173.5-11.9000111.9K173 Y213 T217 E221 L222 L223K173-D219 IonicContact NZ-OD1 3.94Å; K173-D219 IonicContact NZ-OD2 2.68Å; K173-D219 PolarHBondContact NZ-OD2 2.76Å; Y213-D219 HydrophobicContact CE1-CB 3.67Å; Y213-D219 PolarHBondContact OH-OD2 2.86Å; T217-D219 PolarHBondContact O-N 3.34Å; T217-D219 WeakPolarHBondContact OG1-CB 3.42Å; T217-D219 PolarHBondContact OG1-N 3.5Å; D219-E221 VanDerWaalsContact C-N 3.29Å; D219-E221 PolarHBondContact O-N 2.93Å; D219-E221 PolarHBondContact OD1-N 3.41Å; D219-L222 HydrophobicContact CB-CB 4.44Å; D219-L222 PolarHBondContact OD1-N 3.31Å; D219-L223 PolarHBondContact O-N 2.97Å; D219-L223 VanDerWaalsContact O-N 3.17Å
220M97.7Very high97.9Very high71 Ų7146.2 Ų46.235%0.3525%0.248SC..Hα-helixtrans-65.2-30.4-179.5-76.4-60.9-54.900113.3F214 G218 L223 Q224F214-M220 HydrophobicContact CE2-CG 4.15Å; F214-M220 HydrophobicContact CE2-SD 3.4Å; F214-M220 WeakPolarHBondContact CE2-SD 3.28Å; F214-M220 HydrophobicContact CZ-SD 3.47Å; F214-M220 WeakPolarHBondContact CZ-SD 3.39Å; G218-M220 VanDerWaalsContact C-N 3.33Å; G218-M220 PolarHBondContact O-N 3.07Å; M220-L223 HydrophobicContact CE-CD2 4.44Å; M220-L223 PolarHBondContact O-N 3.32Å; M220-L223 HydrophobicContact SD-CD2 4.21Å; M220-Q224 WeakPolarHBondContact O-CG 3.24Å; M220-Q224 PolarHBondContact O-N 3.09Å
221E97.5Very high97.9Very high149 Ų14948.1 Ų48.170%0.69626%0.257SS*.Hα-helixtrans-67.3-50.6-179.4-175.9-178.9-171.700110.2D219 L223 Q224 Q225D219-E221 VanDerWaalsContact C-N 3.29Å; D219-E221 PolarHBondContact O-N 2.93Å; D219-E221 PolarHBondContact OD1-N 3.41Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 2.84Å; E221-Q224 PolarHBondContact O-N 3.49Å; E221-Q225 PolarHBondContact O-N 3.15Å; E221-Q225 VanDerWaalsContact O-N 3.16Å
222L97.3Very high97.9Very high3 Ų349.9 Ų49.92%0.01627%0.265CS..Hα-helixtrans-59.9-44.2174.7-175.971.1000110.6K173 I176 I177 Y213 D219 Q224 Q225 V226K173-L222 HydrophobicContact CD-CD2 4.49Å; K173-L222 HydrophobicContact CG-CD1 4.4Å; K173-L222 HydrophobicContact CG-CD2 3.96Å; I176-L222 HydrophobicContact CG2-CD2 4.34Å; I177-L222 HydrophobicContact CD1-CD1 4.4Å; I177-L222 HydrophobicContact CG1-CD1 4.01Å; Y213-L222 HydrophobicContact CD1-CD2 3.68Å; Y213-L222 HydrophobicContact CE1-CB 4.47Å; Y213-L222 HydrophobicContact CE1-CD2 3.27Å; Y213-L222 HydrophobicContact CE1-CG 4.47Å; D219-L222 HydrophobicContact CB-CB 4.44Å; D219-L222 PolarHBondContact OD1-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.16Å; L222-Q225 WeakPolarHBondContact O-CB 3.49Å; L222-Q225 PolarHBondContact O-N 3.03Å; L222-Q225 VanDerWaalsContact O-N 3.12Å; L222-V226 HydrophobicContact CD1-CG1 3.82Å; L222-V226 HydrophobicContact CG-CG1 4.07Å; L222-V226 WeakPolarHBondContact O-CG1 3.43Å; L222-V226 WeakPolarHBondContact O-CG2 3.33Å; L222-V226 PolarHBondContact O-N 3.36Å
223L98.3Very high97.9Very high2 Ų249 Ų491%0.0126%0.261CS..Hα-helixtrans-56.3-48.5-179178.259.6000112.1V210 F214 D219 M220 E221 Q225 V226 L227 L340 A343 A344V210-L223 HydrophobicContact CG1-CD1 4.08Å; F214-L223 HydrophobicContact CD1-CD2 4.15Å; F214-L223 HydrophobicContact CD2-CB 4.01Å; F214-L223 HydrophobicContact CD2-CD2 3.79Å; F214-L223 HydrophobicContact CD2-CG 4.41Å; F214-L223 HydrophobicContact CE1-CD2 3.98Å; F214-L223 HydrophobicContact CE2-CB 4.29Å; F214-L223 HydrophobicContact CE2-CD2 3.62Å; F214-L223 HydrophobicContact CG-CD2 4.06Å; F214-L223 HydrophobicContact CZ-CD2 3.71Å; D219-L223 PolarHBondContact O-N 2.97Å; D219-L223 VanDerWaalsContact O-N 3.17Å; M220-L223 HydrophobicContact CE-CD2 4.44Å; M220-L223 PolarHBondContact O-N 3.32Å; M220-L223 HydrophobicContact SD-CD2 4.21Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 2.84Å; L223-Q225 VanDerWaalsContact C-N 3.28Å; L223-Q225 PolarHBondContact O-N 2.6Å; L223-V226 PolarHBondContact O-N 2.84Å; L223-L227 HydrophobicContact CD1-CD1 4.16Å; L223-L227 HydrophobicContact CD1-CD2 4.39Å; L223-L227 HydrophobicContact CD1-CG 3.94Å; L223-L227 HydrophobicContact CG-CD1 4.16Å; L223-L227 HydrophobicContact CG-CG 4.41Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 3.02Å; L223-L227 VanDerWaalsContact O-N 3.15Å; L223-L340 HydrophobicContact CD1-CB 4.12Å; L223-L340 HydrophobicContact CD1-CD1 4.32Å; L223-L340 HydrophobicContact CD1-CD2 3.78Å; L223-L340 HydrophobicContact CD1-CG 4.28Å; L223-L340 HydrophobicContact CD2-CD2 4.41Å; L223-A343 HydrophobicContact CD2-CB 4.35Å; L223-A344 HydrophobicContact CD2-CB 4.44Å
224Q96.9Very high97.9Very high119 Ų11949.1 Ų49.156%0.55626%0.261SS*.Hα-helixtrans-62.7-36.8178.8-74.3178.5-12.500112.1M220 E221 L222M220-Q224 WeakPolarHBondContact O-CG 3.24Å; M220-Q224 PolarHBondContact O-N 3.09Å; E221-Q224 PolarHBondContact O-N 3.49Å; L222-Q224 PolarHBondContact O-N 3.16Å
225Q96.8Very high97.9Very high119 Ų11951.5 Ų51.556%0.55627%0.273SS*.Hα-helixtrans-67.4-41.7178-175.6-176.7-8.100112.5E221 L222 L223E221-Q225 PolarHBondContact O-N 3.15Å; E221-Q225 VanDerWaalsContact O-N 3.16Å; L222-Q225 WeakPolarHBondContact O-CB 3.49Å; L222-Q225 PolarHBondContact O-N 3.03Å; L222-Q225 VanDerWaalsContact O-N 3.12Å; L223-Q225 VanDerWaalsContact C-N 3.28Å; L223-Q225 PolarHBondContact O-N 2.6Å
226V98.2Very high97.9Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-89.3-22.7-170-57.80000114.4V180 V210 L222 L223 L229 L230V180-V226 HydrophobicContact CG1-CB 4.09Å; V180-V226 HydrophobicContact CG1-CG1 3.97Å; V180-V226 HydrophobicContact CG2-CG1 4.18Å; V210-V226 HydrophobicContact CG1-CG2 3.7Å; V210-V226 HydrophobicContact CG2-CG2 3.97Å; L222-V226 HydrophobicContact CD1-CG1 3.82Å; L222-V226 HydrophobicContact CG-CG1 4.07Å; L222-V226 WeakPolarHBondContact O-CG1 3.43Å; L222-V226 WeakPolarHBondContact O-CG2 3.33Å; L222-V226 PolarHBondContact O-N 3.36Å; L223-V226 PolarHBondContact O-N 2.84Å; V226-L229 WeakPolarHBondContact O-CA 3.32Å; V226-L229 WeakPolarHBondContact O-CB 3.14Å; V226-L229 PolarHBondContact O-N 3.3Å; V226-L230 PolarHBondContact O-N 3.42Å
227L98.3Very high97.9Very high8 Ų844.9 Ų44.94%0.04223%0.233CC..Hα-helixtrans-50.7-47.5-177.4-90.1171.4000114.4L223 L229 L230 E231 L337 L340 Y341 A344L223-L227 HydrophobicContact CD1-CD1 4.16Å; L223-L227 HydrophobicContact CD1-CD2 4.39Å; L223-L227 HydrophobicContact CD1-CG 3.94Å; L223-L227 HydrophobicContact CG-CD1 4.16Å; L223-L227 HydrophobicContact CG-CG 4.41Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 3.02Å; L223-L227 VanDerWaalsContact O-N 3.15Å; L227-L229 PolarHBondContact O-N 3.48Å; L227-L230 PolarHBondContact O-N 3.44Å; L227-E231 PolarHBondContact O-N 3.41Å; L227-L337 HydrophobicContact CD2-CD2 4.44Å; L227-L340 HydrophobicContact CD2-CB 3.91Å; L227-Y341 HydrophobicContact CB-CE1 4.08Å; L227-Y341 HydrophobicContact CD1-CD1 3.91Å; L227-Y341 HydrophobicContact CD1-CE1 4.07Å; L227-Y341 HydrophobicContact CD2-CD1 4.04Å; L227-Y341 HydrophobicContact CD2-CD2 4.1Å; L227-Y341 HydrophobicContact CD2-CE1 3.93Å; L227-Y341 HydrophobicContact CD2-CE2 4Å; L227-Y341 HydrophobicContact CD2-CG 4.13Å; L227-Y341 HydrophobicContact CG-CD1 4.46Å; L227-Y341 HydrophobicContact CG-CE1 4.26Å; L227-A344 HydrophobicContact CD1-CB 3.41Å; L227-A344 VanDerWaalsContact CD1-CB 3.41Å
228P97.8Very high97.9Very high82 Ų8245.1 Ų45.153%0.53223%0.232SC..Hα-helixtrans-62-30.2176.7-23.334.8000113.7K232P228-K232 PolarHBondContact O-N 2.97Å
229L98.5Very high97.8Very high31 Ų3151.6 Ų51.616%0.16224%0.243CC..Hα-helixtrans-77.6-37178.6-59.9175.1000111V180 V183 D184 V226 L227 E231 K232 E233V180-L229 HydrophobicContact CB-CB 4.28Å; V180-L229 HydrophobicContact CB-CD1 3.75Å; V180-L229 HydrophobicContact CG2-CD1 4.09Å; V183-L229 HydrophobicContact CG1-CB 4.48Å; V183-L229 VanDerWaalsContact CG1-O 3.28Å; V183-L229 WeakPolarHBondContact CG1-O 3.33Å; D184-L229 HydrophobicContact CB-CD2 3.86Å; V226-L229 WeakPolarHBondContact O-CA 3.32Å; V226-L229 WeakPolarHBondContact O-CB 3.14Å; V226-L229 PolarHBondContact O-N 3.3Å; L227-L229 PolarHBondContact O-N 3.48Å; L229-E231 VanDerWaalsContact C-N 3.28Å; L229-E231 PolarHBondContact O-N 3.03Å; L229-K232 HydrophobicContact CD2-CD 4.35Å; L229-K232 WeakPolarHBondContact O-CB 3.32Å; L229-K232 PolarHBondContact O-N 3.43Å; L229-K232 VanDerWaalsContact O-N 3.15Å; L229-E233 PolarHBondContact O-N 2.91Å
230L98.7Very high97.7Very high0 Ų052.9 Ų52.90%025%0.248CC..Hα-helixtrans-59.2-42.4170-59.9-175.9000111.3L206 V210 V226 L227 K232 E233 Y234 L337 L340L206-L230 HydrophobicContact CB-CD2 4.34Å; L206-L230 HydrophobicContact CD2-CD2 3.88Å; L206-L230 HydrophobicContact CG-CD2 3.59Å; V210-L230 HydrophobicContact CB-CD1 4.08Å; V210-L230 HydrophobicContact CG1-CD1 4.11Å; V210-L230 HydrophobicContact CG2-CD1 4.16Å; V210-L230 HydrophobicContact CG2-CD2 4.03Å; V226-L230 PolarHBondContact O-N 3.42Å; L227-L230 PolarHBondContact O-N 3.44Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 2.96Å; L230-E233 PolarHBondContact O-N 3.04Å; L230-Y234 WeakPolarHBondContact O-CB 3.46Å; L230-Y234 PolarHBondContact O-N 3.47Å; L230-L337 HydrophobicContact CB-CD2 3.86Å; L230-L337 HydrophobicContact CD1-CD2 4.14Å; L230-L340 HydrophobicContact CD1-CD1 4.09Å
231E97.9Very high97.6Very high40 Ų4050.2 Ų50.219%0.18723%0.234CC..Hα-helixtrans-61.7-42.8174.8-167.261.3-143.500111.3L227 L229 E233 Y234 Q235 Y341 H353L227-E231 PolarHBondContact O-N 3.41Å; L229-E231 VanDerWaalsContact C-N 3.28Å; L229-E231 PolarHBondContact O-N 3.03Å; E231-E233 VanDerWaalsContact C-N 3.33Å; E231-E233 PolarHBondContact O-N 3.41Å; E231-Y234 WeakPolarHBondContact O-CB 3.34Å; E231-Y234 PolarHBondContact O-N 3.48Å; E231-Q235 VanDerWaalsContact O-CG 3.29Å; E231-Q235 WeakPolarHBondContact O-CG 3.09Å; E231-Q235 PolarHBondContact O-N 3.38Å; E231-Q235 PolarHBondContact OE1-NE2 2.9Å; E231-Y341 PolarHBondContact OE2-OH 3.44Å; E231-H353 IonicContact OE1-CE1 3.12Å; E231-H353 IonicContact OE2-CE1 2.84Å; E231-H353 PolarHBondContact OE2-CE1 3.24Å; E231-H353 IonicContact OE2-NE2 2.79Å; E231-H353 PolarHBondContact OE2-NE2 3.45Å; E231-H353 VanDerWaalsContact OE2-NE2 3.12Å
232K98.6Very high97.5Very high78 Ų7844.1 Ų44.134%0.33921%0.207SC..Hα-helixtrans-57.3-45.1178.2-169.7179.8-171.8-178.70111.8V183 D184 P228 L229 L230 Q235 F236V183-K232 HydrophobicContact CG1-CB 4.06Å; V183-K232 HydrophobicContact CG1-CD 4.19Å; V183-K232 HydrophobicContact CG1-CG 4.26Å; D184-K232 PolarHBondContact O-NZ 2.92Å; D184-K232 IonicContact OD1-NZ 2.7Å; D184-K232 PolarHBondContact OD1-NZ 3.04Å; P228-K232 PolarHBondContact O-N 2.97Å; L229-K232 HydrophobicContact CD2-CD 4.35Å; L229-K232 WeakPolarHBondContact O-CB 3.32Å; L229-K232 PolarHBondContact O-N 3.43Å; L229-K232 VanDerWaalsContact O-N 3.15Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 2.96Å; K232-Q235 PolarHBondContact O-N 3.5Å; K232-F236 PolarHBondContact O-N 3.2Å; K232-F236 VanDerWaalsContact O-N 3.17Å
233E98.6Very high97.4Very high3 Ų345.1 Ų45.11%0.01421%0.213CC..Hα-helixtrans-66.6-43.9175.2-174.7-179.3-150.900111.9Y153 V183 L206 L229 L230 E231 Q235 F236 W237Y153-E233 WeakPolarHBondContact CE1-OE1 3.45Å; Y153-E233 PolarHBondContact OH-OE1 3.28Å; Y153-E233 PolarHBondContact OH-OE2 3.36Å; V183-E233 HydrophobicContact CG1-CB 3.92Å; V183-E233 HydrophobicContact CG2-CB 4.19Å; L206-E233 WeakPolarHBondContact CB-OE2 3.44Å; L229-E233 PolarHBondContact O-N 2.91Å; L230-E233 PolarHBondContact O-N 3.04Å; E231-E233 VanDerWaalsContact C-N 3.33Å; E231-E233 PolarHBondContact O-N 3.41Å; E233-Q235 PolarHBondContact O-N 3.41Å; E233-F236 VanDerWaalsContact O-CB 3.31Å; E233-F236 WeakPolarHBondContact O-CB 3.23Å; E233-F236 PolarHBondContact O-N 2.92Å; E233-W237 VanDerWaalsContact O-CD1 3.26Å; E233-W237 PolarHBondContact O-N 2.86Å
234Y98.4Very high97Very high12 Ų1249.2 Ų49.25%0.04724%0.24CC..Hα-helixtrans-56.5-41176.9-177-92.7000111.5L230 E231 F236 W237 L238 M330 N333 D334 L337L230-Y234 WeakPolarHBondContact O-CB 3.46Å; L230-Y234 PolarHBondContact O-N 3.47Å; E231-Y234 WeakPolarHBondContact O-CB 3.34Å; E231-Y234 PolarHBondContact O-N 3.48Å; Y234-F236 PolarHBondContact O-N 3.36Å; Y234-W237 PolarHBondContact O-N 2.84Å; Y234-L238 HydrophobicContact CD1-CD1 3.77Å; Y234-L238 HydrophobicContact CD1-CG 4.31Å; Y234-L238 HydrophobicContact CE1-CD1 3.34Å; Y234-L238 HydrophobicContact CE1-CG 3.93Å; Y234-L238 PolarHBondContact O-N 2.79Å; Y234-L238 VanDerWaalsContact O-N 3.11Å; Y234-M330 HydrophobicContact CD2-CE 3.41Å; Y234-M330 VanDerWaalsContact CD2-CE 3.41Å; Y234-M330 HydrophobicContact CE2-CE 3.52Å; Y234-M330 HydrophobicContact CG-CE 4.18Å; Y234-N333 HydrophobicContact CD2-CB 4.31Å; Y234-D334 PolarHBondContact OH-OD1 3.14Å; Y234-D334 PolarHBondContact OH-OD2 2.9Å; Y234-L337 HydrophobicContact CD2-CD1 4Å; Y234-L337 HydrophobicContact CG-CD1 4.16Å
235Q98.2Very high96.6Very high78 Ų7846.1 Ų46.136%0.36422%0.223SC..Hα-helixtrans-66.4-32.9174.9-66.1-55.2-40.400113.4E231 K232 E233 L238 R239E231-Q235 VanDerWaalsContact O-CG 3.29Å; E231-Q235 WeakPolarHBondContact O-CG 3.09Å; E231-Q235 PolarHBondContact O-N 3.38Å; E231-Q235 PolarHBondContact OE1-NE2 2.9Å; K232-Q235 PolarHBondContact O-N 3.5Å; E233-Q235 PolarHBondContact O-N 3.41Å; Q235-L238 PolarHBondContact O-N 3.39Å; Q235-R239 WeakPolarHBondContact O-CB 3.25Å; Q235-R239 WeakPolarHBondContact O-CG 3.21Å; Q235-R239 PolarHBondContact O-N 3.5Å
236F97.9Very high95.6Very high26 Ų2642.7 Ų42.711%0.11422%0.22CC..Hα-helixtrans-59.7-47.8172.3160.6-93.2000111.1G187 F188 K232 E233 Y234 L238 R239 E240 R241G187-F236 WeakPolarHBondContact O-CB 3.33Å; F188-F236 HydrophobicContact CB-CB 4.32Å; F188-F236 HydrophobicContact CB-CD1 3.53Å; F188-F236 HydrophobicContact CB-CD2 4.02Å; F188-F236 HydrophobicContact CB-CE1 3.7Å; F188-F236 HydrophobicContact CB-CE2 4.16Å; F188-F236 HydrophobicContact CB-CG 3.69Å; F188-F236 HydrophobicContact CB-CZ 4Å; F188-F236 AromaticContact CD1-CD2 3.74Å; F188-F236 HydrophobicContact CD1-CD2 3.74Å; F188-F236 HydrophobicContact CD1-CE1 4.42Å; F188-F236 AromaticContact CD1-CE2 3.46Å; F188-F236 HydrophobicContact CD1-CE2 3.46Å; F188-F236 VanDerWaalsContact CD1-CE2 3.46Å; F188-F236 HydrophobicContact CD1-CG 4.31Å; F188-F236 AromaticContact CD1-CZ 3.83Å; F188-F236 HydrophobicContact CD1-CZ 3.83Å; F188-F236 HydrophobicContact CD2-CE1 4.29Å; F188-F236 HydrophobicContact CD2-CZ 4.05Å; F188-F236 AromaticContact CE1-CE2 3.95Å; F188-F236 HydrophobicContact CE1-CE2 3.95Å; F188-F236 HydrophobicContact CE1-CZ 4.33Å; F188-F236 HydrophobicContact CG-CD1 4.17Å; F188-F236 HydrophobicContact CG-CD2 4.09Å; F188-F236 AromaticContact CG-CE1 3.9Å; F188-F236 HydrophobicContact CG-CE1 3.9Å; F188-F236 AromaticContact CG-CE2 3.8Å; F188-F236 HydrophobicContact CG-CE2 3.8Å; F188-F236 HydrophobicContact CG-CG 4.26Å; F188-F236 AromaticContact CG-CZ 3.68Å; F188-F236 HydrophobicContact CG-CZ 3.68Å; K232-F236 PolarHBondContact O-N 3.2Å; K232-F236 VanDerWaalsContact O-N 3.17Å; E233-F236 VanDerWaalsContact O-CB 3.31Å; E233-F236 WeakPolarHBondContact O-CB 3.23Å; E233-F236 PolarHBondContact O-N 2.92Å; Y234-F236 PolarHBondContact O-N 3.36Å; F236-L238 PolarHBondContact O-N 3.49Å; F236-R239 PolarHBondContact O-N 3.16Å; F236-E240 HydrophobicContact CD2-CB 4.14Å; F236-E240 HydrophobicContact CD2-CG 3.81Å; F236-E240 HydrophobicContact CE2-CB 4.01Å; F236-E240 HydrophobicContact CE2-CG 4Å; F236-E240 WeakPolarHBondContact O-CB 3.14Å; F236-E240 PolarHBondContact O-N 2.83Å; F236-R241 HydrophobicContact CE1-CG 4.3Å
237W98.1Very high93.8Very high1 Ų152.8 Ų52.80%0.00426%0.264CS..Hα-helixtrans-62.8-44.2178.9-73.598.1000112.1S201 Q202 P204 E233 Y234 R239 R241 F256 Y258 L326 M330S201-W237 WeakPolarHBondContact OG-CZ2 3.22Å; Q202-W237 VanDerWaalsContact O-CZ2 3.24Å; Q202-W237 WeakPolarHBondContact O-CZ2 3.49Å; P204-W237 HydrophobicContact CB-CD2 4.47Å; P204-W237 HydrophobicContact CB-CZ2 3.89Å; P204-W237 HydrophobicContact CG-CD2 4.33Å; P204-W237 HydrophobicContact CG-CZ2 4.02Å; E233-W237 VanDerWaalsContact O-CD1 3.26Å; E233-W237 PolarHBondContact O-N 2.86Å; Y234-W237 PolarHBondContact O-N 2.84Å; W237-R239 VanDerWaalsContact C-N 3.32Å; W237-R239 PolarHBondContact O-N 3.47Å; W237-R241 HydrophobicContact CD2-CB 4.47Å; W237-R241 HydrophobicContact CD2-CG 4.3Å; W237-R241 HydrophobicContact CE3-CB 3.53Å; W237-R241 HydrophobicContact CE3-CG 3.51Å; W237-R241 HydrophobicContact CZ3-CB 4.01Å; W237-R241 HydrophobicContact CZ3-CG 3.7Å; W237-R241 CarbonylContact O-C 3.59Å; W237-R241 WeakPolarHBondContact O-CA 3.23Å; W237-R241 WeakPolarHBondContact O-CB 3.36Å; W237-R241 PolarHBondContact O-N 3.27Å; W237-R241 VanDerWaalsContact O-N 3.08Å; W237-F256 HydrophobicContact CB-CD1 4.35Å; W237-F256 HydrophobicContact CB-CE1 4.07Å; W237-Y258 HydrophobicContact CH2-CD1 4.14Å; W237-Y258 AromaticContact CH2-CE1 3.84Å; W237-Y258 HydrophobicContact CH2-CE1 3.84Å; W237-Y258 HydrophobicContact CZ3-CD1 4.13Å; W237-Y258 HydrophobicContact CZ3-CE1 4.05Å; W237-L326 HydrophobicContact CE3-CD1 3.77Å; W237-L326 HydrophobicContact CE3-CD2 4.24Å; W237-L326 HydrophobicContact CH2-CD1 3.98Å; W237-L326 HydrophobicContact CZ3-CD1 3.49Å; W237-L326 VanDerWaalsContact CZ3-CD1 3.49Å; W237-L326 HydrophobicContact CZ3-CD2 3.8Å; W237-L326 HydrophobicContact CZ3-CG 4.27Å; W237-M330 HydrophobicContact CB-CE 3.5Å; W237-M330 HydrophobicContact CB-SD 3.74Å; W237-M330 HydrophobicContact CD2-SD 4.24Å; W237-M330 HydrophobicContact CG-CE 4.06Å; W237-M330 HydrophobicContact CG-SD 3.73Å
238L96.6Very high91.9Very high53 Ų5357.9 Ų57.928%0.27729%0.29SS..Hα-helixtrans-58.8-42.4176.5-79.5176.7000112.8Y234 Q235 F236 T242 F256Y234-L238 HydrophobicContact CD1-CD1 3.77Å; Y234-L238 HydrophobicContact CD1-CG 4.31Å; Y234-L238 HydrophobicContact CE1-CD1 3.34Å; Y234-L238 HydrophobicContact CE1-CG 3.93Å; Y234-L238 PolarHBondContact O-N 2.79Å; Y234-L238 VanDerWaalsContact O-N 3.11Å; Q235-L238 PolarHBondContact O-N 3.39Å; F236-L238 PolarHBondContact O-N 3.49Å; L238-T242 WeakPolarHBondContact O-CG2 3.44Å; L238-T242 PolarHBondContact O-OG1 2.84Å; L238-F256 HydrophobicContact CD2-CE1 4.08Å; L238-F256 HydrophobicContact CD2-CZ 3.75Å; L238-F256 HydrophobicContact CG-CZ 4.5Å
239R95.9Very high90.4Very high180 Ų18063.6 Ų63.668%0.67931%0.307SS*.Hα-helixtrans-81.7-47.3-175.1-74.917843.5-160.8-20.1113.5Q235 F236 W237Q235-R239 WeakPolarHBondContact O-CB 3.25Å; Q235-R239 WeakPolarHBondContact O-CG 3.21Å; Q235-R239 PolarHBondContact O-N 3.5Å; F236-R239 PolarHBondContact O-N 3.16Å; W237-R239 VanDerWaalsContact C-N 3.32Å; W237-R239 PolarHBondContact O-N 3.47Å
240E95.8Very high89.1Confident55 Ų5567.5 Ų67.526%0.25734%0.336SS..Hα-helixtrans-98.9-21.4-165.8-56.4-60.4146.400112.5F236 R259F236-E240 HydrophobicContact CD2-CB 4.14Å; F236-E240 HydrophobicContact CD2-CG 3.81Å; F236-E240 HydrophobicContact CE2-CB 4.01Å; F236-E240 HydrophobicContact CE2-CG 4Å; F236-E240 WeakPolarHBondContact O-CB 3.14Å; F236-E240 PolarHBondContact O-N 2.83Å; E240-R259 PolarHBondContact O-NH2 3.49Å
241R96.3Very high88Confident16 Ų1673.9 Ų73.96%0.0637%0.371CS..SBendtrans-118.612.2-172.1-61.6-65.8-177.8-75.90.8114.5F236 W237 F256 Q257 R259 E293F236-R241 HydrophobicContact CE1-CG 4.3Å; W237-R241 HydrophobicContact CD2-CB 4.47Å; W237-R241 HydrophobicContact CD2-CG 4.3Å; W237-R241 HydrophobicContact CE3-CB 3.53Å; W237-R241 HydrophobicContact CE3-CG 3.51Å; W237-R241 HydrophobicContact CZ3-CB 4.01Å; W237-R241 HydrophobicContact CZ3-CG 3.7Å; W237-R241 CarbonylContact O-C 3.59Å; W237-R241 WeakPolarHBondContact O-CA 3.23Å; W237-R241 WeakPolarHBondContact O-CB 3.36Å; W237-R241 PolarHBondContact O-N 3.27Å; W237-R241 VanDerWaalsContact O-N 3.08Å; R241-F256 CarbonylContact O-C 3.51Å; R241-F256 WeakPolarHBondContact O-CA 3.29Å; R241-Q257 WeakPolarHBondContact CD-O 3.38Å; R241-Q257 PolarHBondContact O-N 3.02Å; R241-R259 PolarHBondContact NE-O 2.93Å; R241-R259 PolarHBondContact NH2-O 3.4Å; R241-E293 WeakPolarHBondContact CD-OE2 3.41Å; R241-E293 IonicContact CZ-OE1 2.75Å; R241-E293 VanDerWaalsContact CZ-OE1 3.28Å; R241-E293 IonicContact CZ-OE2 3.44Å; R241-E293 VanDerWaalsContact NE-CD 3.29Å; R241-E293 IonicContact NE-OE1 3.64Å; R241-E293 PolarHBondContact NE-OE1 3.11Å; R241-E293 IonicContact NE-OE2 2.71Å; R241-E293 PolarHBondContact NE-OE2 3.43Å; R241-E293 IonicContact NH2-OE1 3.32Å; R241-E293 PolarHBondContact NH2-OE1 2.86Å; R241-E293 IonicContact NH2-OE2 3.71Å
242T95.8Very high87.2Confident21 Ų2174 Ų7413%0.12938%0.375CS..EExtended strand (participates in β ladder)trans-94.5154.5171.259.80000113.3L238 L255 F256 R259L238-T242 WeakPolarHBondContact O-CG2 3.44Å; L238-T242 PolarHBondContact O-OG1 2.84Å; T242-L255 CarbonylContact C-O 3.6Å; T242-L255 WeakPolarHBondContact CA-O 3.44Å; T242-F256 HydrophobicContact CG2-CD1 3.7Å; T242-F256 HydrophobicContact CG2-CE1 3.63Å; T242-F256 HydrophobicContact CG2-CG 4.39Å; T242-F256 HydrophobicContact CG2-CZ 4.27Å; T242-R259 PolarHBondContact O-NH2 3.41Å
243V93.3Very high86.8Confident24 Ų2472.8 Ų72.815%0.14537%0.371CS..EExtended strand (participates in β ladder)trans-139.1139.2174.667.50000110R254 L255 Q257 L381V243-R254 WeakPolarHBondContact O-CA 3.31Å; V243-L255 HydrophobicContact CG1-CB 4.22Å; V243-L255 PolarHBondContact N-O 3.28Å; V243-L255 PolarHBondContact O-N 3.25Å; V243-Q257 HydrophobicContact CB-CG 4.24Å; V243-Q257 HydrophobicContact CG1-CG 4.12Å; V243-Q257 VanDerWaalsContact CG1-OE1 3.28Å; V243-L381 HydrophobicContact CG1-CD1 4.01Å; V243-L381 HydrophobicContact CG1-CD2 4.21Å
244P91.6Very high86.5Confident87 Ų8780.8 Ų80.857%0.56540%0.402SS*.EExtended strand (participates in β ladder)trans-69.6139.3173.528.5-34.6000111.5P252 I253P244-P252 HydrophobicContact CB-CB 3.65Å; P244-P252 HydrophobicContact CB-CG 3.68Å; P244-I253 CarbonylContact C-O 3.57Å
245Y88.4Confident86.3Confident54 Ų5480.2 Ų80.221%0.21240%0.399CS..EExtended strand (participates in β ladder)trans-135.5143.6179179.7-99.2000110.6I253 L255 V367 V379 L381 G384Y245-I253 PolarHBondContact N-O 3.08Å; Y245-I253 PolarHBondContact O-N 3.42Å; Y245-L255 HydrophobicContact CD1-CD1 3.98Å; Y245-L255 HydrophobicContact CD1-CG 4.5Å; Y245-L255 HydrophobicContact CD2-CD1 3.81Å; Y245-L255 HydrophobicContact CE2-CD1 4.5Å; Y245-L255 HydrophobicContact CG-CD1 3.51Å; Y245-L255 HydrophobicContact CG-CG 4.13Å; Y245-V367 HydrophobicContact CD1-CG1 4.3Å; Y245-V367 HydrophobicContact CD1-CG2 4.07Å; Y245-V367 HydrophobicContact CE1-CB 4.46Å; Y245-V367 HydrophobicContact CE1-CG1 3.9Å; Y245-V367 HydrophobicContact CE1-CG2 3.88Å; Y245-V379 HydrophobicContact CE2-CG1 3.73Å; Y245-L381 HydrophobicContact CD2-CD2 4.22Å; Y245-G384 PolarHBondContact OH-O 3.47Å
246G76Confident86.3Confident47 Ų4777.6 Ų77.649%0.48539%0.387SS..SBendtrans108.6164.9176.400000114.9
247F58.9Low86.3Confident212 Ų21276.6 Ų76.693%0.9338%0.383SS*.SBendtrans-81-22.4-174.1-59.6-78.9000113.7K249F247-K249 PolarHBondContact O-N 3.18Å; F247-K249 VanDerWaalsContact O-N 3.16Å
248I59.7Low86.3Confident116 Ų11676.6 Ų76.660%0.59538%0.383SS*.  trans-8395.2-178.2-56.9178.4000108.9S250 D251I248-S250 VanDerWaalsContact CG2-OG 3.3Å; I248-S250 WeakPolarHBondContact CG2-OG 3.31Å; I248-S250 PolarHBondContact O-N 3.04Å; I248-S250 VanDerWaalsContact O-N 3.15Å; I248-D251 CarbonylContact O-C 3.58Å; I248-D251 PolarHBondContact O-N 3.42Å
249K65.3Low86.2Confident202 Ų20277.5 Ų77.588%0.87838%0.382SS*.THydrogen-bonded Turntrans-59.3-24.3-178.8-73.2-174.7177.7179.70114.4F247F247-K249 PolarHBondContact O-N 3.18Å; F247-K249 VanDerWaalsContact O-N 3.16Å
250S71.7Confident86.1Confident112 Ų11269 Ų6978%0.78335%0.35SS*.THydrogen-bonded Turntrans-78.7-22.7-175.4550000114.1I248I248-S250 VanDerWaalsContact CG2-OG 3.3Å; I248-S250 WeakPolarHBondContact CG2-OG 3.31Å; I248-S250 PolarHBondContact O-N 3.04Å; I248-S250 VanDerWaalsContact O-N 3.15Å
251D74.9Confident85.7Confident134 Ų13474.7 Ų74.772%0.71737%0.374SS*.SBendtrans-153.373.2176.9-167.421.3000110.1I248I248-D251 CarbonylContact O-C 3.58Å; I248-D251 PolarHBondContact O-N 3.42Å
252P81.8Confident85.3Confident42 Ų4274.6 Ų74.627%0.27338%0.376SS..PPolyproline II helixtrans-71.4139.1-177.829.1-33.4000110.8P244 R254P244-P252 HydrophobicContact CB-CB 3.65Å; P244-P252 HydrophobicContact CB-CG 3.68Å; P252-R254 PolarHBondContact O-N 2.94Å
253I89.4Confident84.9Confident53 Ų5377.6 Ų77.627%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-59.6134.9168.9-61.4175.3000107.6P244 Y245 L255 I363 V367P244-I253 CarbonylContact C-O 3.57Å; Y245-I253 PolarHBondContact N-O 3.08Å; Y245-I253 PolarHBondContact O-N 3.42Å; I253-L255 HydrophobicContact CG2-CD2 3.96Å; I253-I363 HydrophobicContact CG2-CD1 3.96Å; I253-I363 HydrophobicContact CG2-CG1 3.93Å; I253-I363 HydrophobicContact CG2-CG2 3.95Å; I253-V367 HydrophobicContact CD1-CG2 4.4Å
254R92Very high84.8Confident171 Ų17179.2 Ų79.265%0.64540%0.397SS*.EExtended strand (participates in β ladder)trans-97.3121.5175.3-66.8-172.8-178.3178.11.3109.7V243 P252V243-R254 WeakPolarHBondContact O-CA 3.31Å; P252-R254 PolarHBondContact O-N 2.94Å
255L96Very high84.8Confident0 Ų075.4 Ų75.40%037%0.372CS..EExtended strand (participates in β ladder)trans-103.2150.1173-55.8-178.1000109.7T242 V243 Y245 I253 A322 I363 V367 F368 L381T242-L255 CarbonylContact C-O 3.6Å; T242-L255 WeakPolarHBondContact CA-O 3.44Å; V243-L255 HydrophobicContact CG1-CB 4.22Å; V243-L255 PolarHBondContact N-O 3.28Å; V243-L255 PolarHBondContact O-N 3.25Å; Y245-L255 HydrophobicContact CD1-CD1 3.98Å; Y245-L255 HydrophobicContact CD1-CG 4.5Å; Y245-L255 HydrophobicContact CD2-CD1 3.81Å; Y245-L255 HydrophobicContact CE2-CD1 4.5Å; Y245-L255 HydrophobicContact CG-CD1 3.51Å; Y245-L255 HydrophobicContact CG-CG 4.13Å; I253-L255 HydrophobicContact CG2-CD2 3.96Å; L255-A322 HydrophobicContact CB-CB 4.14Å; L255-A322 HydrophobicContact CD1-CB 3.76Å; L255-I363 HydrophobicContact CD2-CG2 3.66Å; L255-V367 HydrophobicContact CD1-CG1 3.81Å; L255-V367 HydrophobicContact CD2-CB 4.47Å; L255-V367 HydrophobicContact CD2-CG1 4.07Å; L255-V367 HydrophobicContact CD2-CG2 4.26Å; L255-F368 HydrophobicContact CD1-CZ 4.34Å; L255-F368 HydrophobicContact CD2-CE2 3.9Å; L255-F368 HydrophobicContact CD2-CZ 4.1Å; L255-L381 HydrophobicContact CD1-CD2 4.48Å
256F98.1Very high85.1Confident23 Ų2373.1 Ų73.110%0.10136%0.363CS..EExtended strand (participates in β ladder)trans-83.1141.9168.9-62.4-85.3000110.5W237 L238 R241 T242 P323 L326 N327 M330W237-F256 HydrophobicContact CB-CD1 4.35Å; W237-F256 HydrophobicContact CB-CE1 4.07Å; L238-F256 HydrophobicContact CD2-CE1 4.08Å; L238-F256 HydrophobicContact CD2-CZ 3.75Å; L238-F256 HydrophobicContact CG-CZ 4.5Å; R241-F256 CarbonylContact O-C 3.51Å; R241-F256 WeakPolarHBondContact O-CA 3.29Å; T242-F256 HydrophobicContact CG2-CD1 3.7Å; T242-F256 HydrophobicContact CG2-CE1 3.63Å; T242-F256 HydrophobicContact CG2-CG 4.39Å; T242-F256 HydrophobicContact CG2-CZ 4.27Å; F256-P323 WeakPolarHBondContact O-CD 3.35Å; F256-L326 HydrophobicContact CB-CD2 3.72Å; F256-L326 HydrophobicContact CB-CG 3.72Å; F256-N327 PolarHBondContact N-OD1 3.11Å; F256-N327 PolarHBondContact O-ND2 3.37Å; F256-M330 HydrophobicContact CD1-CG 3.85Å; F256-M330 HydrophobicContact CD2-CB 3.77Å; F256-M330 HydrophobicContact CD2-CG 3.81Å; F256-M330 HydrophobicContact CE1-CB 4.32Å; F256-M330 HydrophobicContact CE1-CE 3.91Å; F256-M330 HydrophobicContact CE1-CG 3.83Å; F256-M330 HydrophobicContact CE1-SD 4.48Å; F256-M330 HydrophobicContact CE2-CB 3.46Å; F256-M330 VanDerWaalsContact CE2-CB 3.46Å; F256-M330 HydrophobicContact CE2-CG 3.8Å; F256-M330 HydrophobicContact CG-CB 4.32Å; F256-M330 HydrophobicContact CG-CG 3.83Å; F256-M330 HydrophobicContact CZ-CB 3.76Å; F256-M330 HydrophobicContact CZ-CE 3.94Å; F256-M330 HydrophobicContact CZ-CG 3.8Å
257Q96.8Very high86.1Confident6 Ų671.1 Ų71.13%0.02834%0.341CS..  trans-140.7144.417361.81659300111R241 V243 R259 S319R241-Q257 WeakPolarHBondContact CD-O 3.38Å; R241-Q257 PolarHBondContact O-N 3.02Å; V243-Q257 HydrophobicContact CB-CG 4.24Å; V243-Q257 HydrophobicContact CG1-CG 4.12Å; V243-Q257 VanDerWaalsContact CG1-OE1 3.28Å; Q257-R259 HydrophobicContact CG-CB 4.46Å; Q257-R259 PolarHBondContact O-N 3.41Å; Q257-S319 PolarHBondContact NE2-O 2.81Å
258Y98.1Very high87.8Confident1 Ų161.5 Ų61.50%0.00430%0.299CS..  trans-68.6129.7165.5-63-64.4000109.2W237 E293 S294 W302 P323 L326W237-Y258 HydrophobicContact CH2-CD1 4.14Å; W237-Y258 AromaticContact CH2-CE1 3.84Å; W237-Y258 HydrophobicContact CH2-CE1 3.84Å; W237-Y258 HydrophobicContact CZ3-CD1 4.13Å; W237-Y258 HydrophobicContact CZ3-CE1 4.05Å; Y258-E293 HydrophobicContact CD1-CB 4.23Å; Y258-E293 HydrophobicContact CD1-CG 3.8Å; Y258-E293 HydrophobicContact CE1-CG 4.49Å; Y258-E293 WeakPolarHBondContact CE1-O 3.35Å; Y258-S294 VanDerWaalsContact CE2-CB 3.49Å; Y258-W302 HydrophobicContact CD2-CH2 4.48Å; Y258-P323 HydrophobicContact CD2-CB 4.49Å; Y258-P323 HydrophobicContact CD2-CG 3.6Å; Y258-P323 HydrophobicContact CE2-CB 4.44Å; Y258-P323 HydrophobicContact CE2-CG 3.73Å; Y258-L326 HydrophobicContact CD1-CD2 3.92Å; Y258-L326 HydrophobicContact CD2-CD2 4.29Å; Y258-L326 HydrophobicContact CE1-CB 4.43Å; Y258-L326 HydrophobicContact CE1-CD1 3.86Å; Y258-L326 HydrophobicContact CE1-CD2 3.87Å; Y258-L326 HydrophobicContact CE1-CG 4.25Å; Y258-L326 HydrophobicContact CE2-CB 3.85Å; Y258-L326 HydrophobicContact CE2-CD2 4.19Å; Y258-L326 HydrophobicContact CE2-CG 4.48Å; Y258-L326 HydrophobicContact CG-CD2 4.14Å
259R95.4Very high89.5Confident71 Ų7156 Ų5627%0.26827%0.271SS..  trans-164.2121.5-176.9-175.8175.959.9-145-3.2111.1E240 R241 T242 Q257 E293E240-R259 PolarHBondContact O-NH2 3.49Å; R241-R259 PolarHBondContact NE-O 2.93Å; R241-R259 PolarHBondContact NH2-O 3.4Å; T242-R259 PolarHBondContact O-NH2 3.41Å; Q257-R259 HydrophobicContact CG-CB 4.46Å; Q257-R259 PolarHBondContact O-N 3.41Å; R259-E293 PolarHBondContact N-OE2 3.49Å
260T92.7Very high90.9Very high1 Ų147.7 Ų47.71%0.00624%0.235CC..  trans-116.4145178.765.30000109.9R200 V262 S286 A289 A290 E293R200-T260 HydrophobicContact CB-CG2 3.46Å; R200-T260 VanDerWaalsContact CB-CG2 3.46Å; T260-V262 VanDerWaalsContact C-N 3.32Å; T260-V262 PolarHBondContact O-N 2.79Å; T260-S286 PolarHBondContact O-OG 2.81Å; T260-S286 PolarHBondContact OG1-O 2.91Å; T260-S286 VanDerWaalsContact OG1-O 3.07Å; T260-A289 HydrophobicContact CG2-CB 4.32Å; T260-A289 WeakPolarHBondContact OG1-CB 3.23Å; T260-A290 HydrophobicContact CG2-CB 4.38Å; T260-A290 PolarHBondContact OG1-N 3.26Å; T260-E293 HydrophobicContact CG2-CB 4.05Å
261K87.2Confident91.8Very high175 Ų17543.2 Ų43.276%0.76120%0.201SC*.  trans-96.355.8-179.9-68.4177.6-176.4162.70110.8
262V88.6Confident92.6Very high15 Ų1538.3 Ų38.39%0.09117%0.174CC..  trans-98.9140.2-178.9-1740000110.3D199 T260 Q264 A289D199-V262 HydrophobicContact CB-CG2 3.86Å; D199-V262 VanDerWaalsContact CG-CG2 3.42Å; D199-V262 VanDerWaalsContact OD2-CG2 3.26Å; D199-V262 WeakPolarHBondContact OD2-CG2 3.46Å; T260-V262 VanDerWaalsContact C-N 3.32Å; T260-V262 PolarHBondContact O-N 2.79Å; V262-Q264 HydrophobicContact CG1-CG 4.08Å; V262-Q264 VanDerWaalsContact CG1-O 3.25Å; V262-Q264 WeakPolarHBondContact CG1-O 3.41Å; V262-A289 HydrophobicContact CB-CB 4.26Å; V262-A289 HydrophobicContact CG2-CB 3.99Å
263N87.9Confident93.1Very high83 Ų8336.3 Ų36.344%0.44416%0.161SC..  trans-127.820.6-178.170.7-8.2000113.6R282 W285N263-R282 HydrophobicContact CB-CG 3.73Å; N263-W285 WeakPolarHBondContact O-CZ3 3.46Å
264Q90Very high93.1Very high59 Ų5936.5 Ų36.528%0.27616%0.162SC..SBendtrans-147.6162.1-17859.9178.936.600110.1C17 V262 W285C17-Q264 PolarHBondContact O-NE2 3.14Å; V262-Q264 HydrophobicContact CG1-CG 4.08Å; V262-Q264 VanDerWaalsContact CG1-O 3.25Å; V262-Q264 WeakPolarHBondContact CG1-O 3.41Å; Q264-W285 VanDerWaalsContact CA-CE3 3.5Å; Q264-W285 WeakPolarHBondContact O-CB 3.41Å
265P92.7Very high92.9Very high6 Ų636.7 Ų36.74%0.03916%0.163CC..  trans-56148.1171.8-23.834.5000112.4Y270 D273 L274 W285P265-Y270 HydrophobicContact CB-CD2 3.77Å; P265-Y270 HydrophobicContact CB-CE2 3.99Å; P265-Y270 HydrophobicContact CB-CG 4.21Å; P265-Y270 HydrophobicContact CG-CD2 4.33Å; P265-Y270 HydrophobicContact CG-CE2 4.06Å; P265-D273 HydrophobicContact CB-CB 3.76Å; P265-L274 HydrophobicContact CB-CG 4.47Å; P265-L274 HydrophobicContact CG-CD2 3.65Å; P265-L274 HydrophobicContact CG-CG 3.82Å; P265-W285 HydrophobicContact CG-CZ2 3.93Å
266R94.8Very high92.5Very high6 Ų638.2 Ų38.22%0.02317%0.172CC..  trans-57.6135169.7-70.5178-62.2149.45.1110E268 A269 Y270 D273 I288 C292 E508R266-E268 VanDerWaalsContact C-N 3.32Å; R266-E268 PolarHBondContact O-N 3.22Å; R266-A269 HydrophobicContact CB-CB 4.27Å; R266-A269 VanDerWaalsContact CZ-CB 3.46Å; R266-A269 CarbonylContact O-C 3.54Å; R266-A269 PolarHBondContact O-N 2.55Å; R266-Y270 WeakPolarHBondContact O-CA 3.34Å; R266-Y270 WeakPolarHBondContact O-CB 3.15Å; R266-Y270 PolarHBondContact O-N 2.93Å; R266-D273 VanDerWaalsContact CB-OD2 3.3Å; R266-D273 WeakPolarHBondContact CB-OD2 3.38Å; R266-D273 VanDerWaalsContact CG-OD2 3.31Å; R266-D273 WeakPolarHBondContact CG-OD2 3.3Å; R266-D273 IonicContact CZ-OD1 2.8Å; R266-D273 PolarHBondContact N-OD2 2.84Å; R266-D273 IonicContact NE-OD1 2.72Å; R266-D273 PolarHBondContact NE-OD1 2.98Å; R266-D273 VanDerWaalsContact NE-OD1 3.12Å; R266-D273 IonicContact NE-OD2 3.46Å; R266-D273 PolarHBondContact NE-OD2 3.44Å; R266-D273 IonicContact NH2-OD1 3.7Å; R266-D273 PolarHBondContact NH2-OD1 3.01Å; R266-I288 HydrophobicContact CG-CG2 4.46Å; R266-I288 VanDerWaalsContact NE-CG2 3.26Å; R266-C292 WeakPolarHBondContact CD-SG 3.37Å; R266-C292 PolarHBondContact NH1-SG 3.3Å; R266-E508 IonicContact CZ-OE1 2.7Å; R266-E508 IonicContact CZ-OE2 2.67Å; R266-E508 IonicContact NH1-OE1 3.41Å; R266-E508 PolarHBondContact NH1-OE1 3.46Å; R266-E508 IonicContact NH1-OE2 3.64Å; R266-E508 IonicContact NH2-OE1 3.12Å; R266-E508 PolarHBondContact NH2-OE1 3.46Å; R266-E508 IonicContact NH2-OE2 2.83Å; R266-E508 PolarHBondContact NH2-OE2 3Å
267S95.6Very high91.7Very high5 Ų537.3 Ų37.34%0.03517%0.168CC..G310 helixtrans-67-36.1-176.4-48.50000112F16 C17 Q26 V38 A269F16-S267 VanDerWaalsContact O-CB 3.26Å; F16-S267 WeakPolarHBondContact O-CB 3.41Å; F16-S267 PolarHBondContact O-OG 2.88Å; C17-S267 WeakPolarHBondContact CA-OG 3.26Å; C17-S267 PolarHBondContact O-OG 3.28Å; Q26-S267 PolarHBondContact NE2-O 2.79Å; Q26-S267 VanDerWaalsContact NE2-O 3.13Å; V38-S267 WeakPolarHBondContact CG1-O 3.35Å; S267-A269 VanDerWaalsContact C-N 3.3Å; S267-A269 PolarHBondContact O-N 2.9Å
268E95.6Very high90.3Very high10 Ų1039.7 Ų39.75%0.04719%0.189CC..G310 helixtrans-78-11.1179.577.9-76.5-171.800114.4S34 K35 V38 Y196 Y197 R200 R266S34-E268 CarbonylContact C-O 3.6Å; S34-E268 VanDerWaalsContact CB-O 3.28Å; S34-E268 WeakPolarHBondContact CB-O 3.35Å; K35-E268 HydrophobicContact CB-CB 4.12Å; K35-E268 HydrophobicContact CG-CB 4.11Å; K35-E268 PolarHBondContact N-O 3.38Å; V38-E268 HydrophobicContact CG2-CB 4.07Å; Y196-E268 HydrophobicContact CD2-CB 4.44Å; Y196-E268 HydrophobicContact CE2-CB 3.98Å; Y196-E268 HydrophobicContact CE2-CG 4.49Å; Y197-E268 HydrophobicContact CE1-CG 4.44Å; R200-E268 IonicContact CZ-OE1 3.29Å; R200-E268 IonicContact NH2-OE1 3.98Å; R200-E268 PolarHBondContact NH2-OE1 3.38Å; R200-E268 IonicContact NH2-OE2 3.98Å; R200-E268 PolarHBondContact NH2-OE2 2.92Å; R200-E268 VanDerWaalsContact NH2-OE2 3.1Å; R266-E268 VanDerWaalsContact C-N 3.32Å; R266-E268 PolarHBondContact O-N 3.22Å
269A95Very high88.3Confident1 Ų148.2 Ų48.21%0.00823%0.229CC..G310 helixtrans-140.338.1-178.400000111R266 S267 K271 E272 D273R266-A269 HydrophobicContact CB-CB 4.27Å; R266-A269 VanDerWaalsContact CZ-CB 3.46Å; R266-A269 CarbonylContact O-C 3.54Å; R266-A269 PolarHBondContact O-N 2.55Å; S267-A269 VanDerWaalsContact C-N 3.3Å; S267-A269 PolarHBondContact O-N 2.9Å; A269-K271 PolarHBondContact O-N 2.82Å; A269-E272 WeakPolarHBondContact CA-OE2 3.46Å; A269-E272 HydrophobicContact CB-CB 4.31Å; A269-E272 PolarHBondContact O-N 3.15Å; A269-D273 WeakPolarHBondContact O-CB 3.4Å; A269-D273 PolarHBondContact O-N 3.25Å
270Y93.7Very high86.6Confident27 Ų2751.4 Ų51.411%0.10625%0.25CS..Hα-helixtrans-63.4-44-165.2-168.3-88.2000112.5L22 E23 Q26 P265 R266 L274L22-Y270 HydrophobicContact CD2-CD2 4.08Å; L22-Y270 HydrophobicContact CD2-CE2 4.25Å; L22-Y270 HydrophobicContact CG-CD2 4.38Å; E23-Y270 HydrophobicContact CB-CE1 4.36Å; E23-Y270 HydrophobicContact CG-CE1 4.22Å; Q26-Y270 HydrophobicContact CB-CD1 3.73Å; Q26-Y270 HydrophobicContact CB-CG 4.12Å; Q26-Y270 HydrophobicContact CG-CD1 4.17Å; Q26-Y270 HydrophobicContact CG-CG 4.06Å; P265-Y270 HydrophobicContact CB-CD2 3.77Å; P265-Y270 HydrophobicContact CB-CE2 3.99Å; P265-Y270 HydrophobicContact CB-CG 4.21Å; P265-Y270 HydrophobicContact CG-CD2 4.33Å; P265-Y270 HydrophobicContact CG-CE2 4.06Å; R266-Y270 WeakPolarHBondContact O-CA 3.34Å; R266-Y270 WeakPolarHBondContact O-CB 3.15Å; R266-Y270 PolarHBondContact O-N 2.93Å; Y270-L274 HydrophobicContact CD1-CD1 3.76Å; Y270-L274 HydrophobicContact CD1-CG 4.49Å; Y270-L274 HydrophobicContact CE1-CD1 3.43Å; Y270-L274 VanDerWaalsContact CE1-CD1 3.43Å; Y270-L274 HydrophobicContact CE1-CG 4.35Å; Y270-L274 VanDerWaalsContact O-CG 3.32Å; Y270-L274 WeakPolarHBondContact O-CG 3.48Å; Y270-L274 PolarHBondContact O-N 2.89Å
271K91Very high85.7Confident18 Ų1857 Ų578%0.07827%0.274CS..Hα-helixtrans-75.3-33.4-179.272-167.9172.1-175.10111.2F31 E32 S34 A269 R275F31-K271 PolarHBondContact O-NZ 3.3Å; E32-K271 VanDerWaalsContact C-NZ 3.29Å; E32-K271 PolarHBondContact O-NZ 2.87Å; S34-K271 WeakPolarHBondContact OG-CD 3.36Å; S34-K271 VanDerWaalsContact OG-CE 3.32Å; S34-K271 WeakPolarHBondContact OG-CE 3.11Å; S34-K271 WeakPolarHBondContact OG-CG 3.34Å; A269-K271 PolarHBondContact O-N 2.82Å; K271-R275 VanDerWaalsContact O-CG 3.24Å; K271-R275 WeakPolarHBondContact O-CG 3.29Å; K271-R275 PolarHBondContact O-N 3.34Å; K271-R275 VanDerWaalsContact O-N 3.08Å
272E91.6Very high85.5Confident31 Ų3156.9 Ų56.915%0.14527%0.269CS..Hα-helixtrans-62.1-55.3175.6-6669.9-151.700109.6S34 A269 L274 R275 V276 E508S34-E272 WeakPolarHBondContact CB-OE2 3.45Å; S34-E272 PolarHBondContact OG-OE2 3.02Å; A269-E272 WeakPolarHBondContact CA-OE2 3.46Å; A269-E272 HydrophobicContact CB-CB 4.31Å; A269-E272 PolarHBondContact O-N 3.15Å; E272-L274 VanDerWaalsContact C-N 3.29Å; E272-L274 PolarHBondContact O-N 3.43Å; E272-R275 WeakPolarHBondContact O-CB 3.22Å; E272-R275 PolarHBondContact O-N 3.36Å; E272-V276 WeakPolarHBondContact O-CG2 3.4Å; E272-V276 PolarHBondContact O-N 3.18Å; E272-V276 VanDerWaalsContact O-N 3.16Å; E272-E508 HydrophobicContact CG-CB 4.36Å
273D92.6Very high85.5Confident1 Ų160.5 Ų60.51%0.00529%0.285CS..Hα-helixtrans-57.6-41.3179.3-80.610.9000111.8P265 R266 A269 R275 V276 T277P265-D273 HydrophobicContact CB-CB 3.76Å; R266-D273 VanDerWaalsContact CB-OD2 3.3Å; R266-D273 WeakPolarHBondContact CB-OD2 3.38Å; R266-D273 VanDerWaalsContact CG-OD2 3.31Å; R266-D273 WeakPolarHBondContact CG-OD2 3.3Å; R266-D273 IonicContact CZ-OD1 2.8Å; R266-D273 PolarHBondContact N-OD2 2.84Å; R266-D273 IonicContact NE-OD1 2.72Å; R266-D273 PolarHBondContact NE-OD1 2.98Å; R266-D273 VanDerWaalsContact NE-OD1 3.12Å; R266-D273 IonicContact NE-OD2 3.46Å; R266-D273 PolarHBondContact NE-OD2 3.44Å; R266-D273 IonicContact NH2-OD1 3.7Å; R266-D273 PolarHBondContact NH2-OD1 3.01Å; A269-D273 WeakPolarHBondContact O-CB 3.4Å; A269-D273 PolarHBondContact O-N 3.25Å; D273-R275 PolarHBondContact O-N 2.76Å; D273-V276 PolarHBondContact O-N 2.77Å; D273-T277 WeakPolarHBondContact O-CB 3.37Å; D273-T277 VanDerWaalsContact O-CG2 3.24Å; D273-T277 WeakPolarHBondContact O-CG2 3.35Å; D273-T277 PolarHBondContact O-N 3.08Å; D273-T277 PolarHBondContact O-OG1 2.04Å
274L90.2Very high85.7Confident56 Ų5657.3 Ų57.329%0.29327%0.268SS..Hα-helixtrans-64.1-37.6175.9-76.7178.9000113.2L27 P265 Y270 E272 V276 W285L27-L274 HydrophobicContact CD2-CD1 3.81Å; P265-L274 HydrophobicContact CB-CG 4.47Å; P265-L274 HydrophobicContact CG-CD2 3.65Å; P265-L274 HydrophobicContact CG-CG 3.82Å; Y270-L274 HydrophobicContact CD1-CD1 3.76Å; Y270-L274 HydrophobicContact CD1-CG 4.49Å; Y270-L274 HydrophobicContact CE1-CD1 3.43Å; Y270-L274 VanDerWaalsContact CE1-CD1 3.43Å; Y270-L274 HydrophobicContact CE1-CG 4.35Å; Y270-L274 VanDerWaalsContact O-CG 3.32Å; Y270-L274 WeakPolarHBondContact O-CG 3.48Å; Y270-L274 PolarHBondContact O-N 2.89Å; E272-L274 VanDerWaalsContact C-N 3.29Å; E272-L274 PolarHBondContact O-N 3.43Å; L274-V276 VanDerWaalsContact C-N 3.3Å; L274-V276 PolarHBondContact O-N 3.36Å; L274-W285 HydrophobicContact CD2-CZ2 4.28Å
275R87.9Confident85.9Confident176 Ų17655.9 Ų55.966%0.66426%0.26SS*.Hα-helixtrans-66-33177.2-75.3167.8-179.5172.70.5112.3K271 E272 D273K271-R275 VanDerWaalsContact O-CG 3.24Å; K271-R275 WeakPolarHBondContact O-CG 3.29Å; K271-R275 PolarHBondContact O-N 3.34Å; K271-R275 VanDerWaalsContact O-N 3.08Å; E272-R275 WeakPolarHBondContact O-CB 3.22Å; E272-R275 PolarHBondContact O-N 3.36Å; D273-R275 PolarHBondContact O-N 2.76Å
276V86Confident85.9Confident31 Ų3156.2 Ų56.219%0.18826%0.262CS..Hα-helixtrans-83.6-35.8-178.3-171.50000111.5E272 D273 L274 M284 L313 R314E272-V276 WeakPolarHBondContact O-CG2 3.4Å; E272-V276 PolarHBondContact O-N 3.18Å; E272-V276 VanDerWaalsContact O-N 3.16Å; D273-V276 PolarHBondContact O-N 2.77Å; L274-V276 VanDerWaalsContact C-N 3.3Å; L274-V276 PolarHBondContact O-N 3.36Å; V276-M284 HydrophobicContact CB-CE 4.15Å; V276-M284 HydrophobicContact CG1-CE 3.26Å; V276-L313 HydrophobicContact CG1-CB 4.2Å; V276-L313 HydrophobicContact CG1-CD2 4.06Å; V276-L313 HydrophobicContact CG1-CG 3.79Å; V276-L313 HydrophobicContact CG2-CD2 3.88Å; V276-R314 HydrophobicContact CG1-CG 3.87Å
277T82.2Confident86Confident4 Ų456.2 Ų56.23%0.02526%0.263CS..Hα-helixtrans-89.7-14.9-164.754.20000117.7D273 H279 L280 M284 W285 I288D273-T277 WeakPolarHBondContact O-CB 3.37Å; D273-T277 VanDerWaalsContact O-CG2 3.24Å; D273-T277 WeakPolarHBondContact O-CG2 3.35Å; D273-T277 PolarHBondContact O-N 3.08Å; D273-T277 PolarHBondContact O-OG1 2.04Å; T277-H279 PolarHBondContact O-N 3.38Å; T277-H279 VanDerWaalsContact O-N 3.16Å; T277-L280 PolarHBondContact O-N 3.04Å; T277-M284 HydrophobicContact CG2-CB 4.1Å; T277-M284 HydrophobicContact CG2-CE 3.89Å; T277-M284 HydrophobicContact CG2-CG 3.69Å; T277-M284 HydrophobicContact CG2-SD 3.59Å; T277-M284 VanDerWaalsContact CG2-SD 3.59Å; T277-W285 HydrophobicContact CG2-CG 4.38Å; T277-W285 VanDerWaalsContact CG2-NE1 3.29Å; T277-W285 PolarHBondContact OG1-NE1 2.8Å; T277-I288 HydrophobicContact CG2-CD1 3.76Å
278A67.4Low86Confident57 Ų5756 Ų5647%0.47126%0.261SS..THydrogen-bonded Turntrans29.6-115.4176.900000115.1K281A278-K281 WeakPolarHBondContact O-CE 3.45Å; A278-K281 WeakPolarHBondContact O-CG 3.45Å
279H55.8Low86Confident180 Ų18055.5 Ų55.583%0.83326%0.259SS*.THydrogen-bonded Turntrans-89.2-3.8-176.1-56.1-66.3000115.1T277 K281T277-H279 PolarHBondContact O-N 3.38Å; T277-H279 VanDerWaalsContact O-N 3.16Å; H279-K281 PolarHBondContact O-N 3.35Å
280L60.2Low86.1Confident138 Ų13855.5 Ų55.572%0.72326%0.259SS*.  trans-105.444.4-170.1-68.4168.3000112.7T277 M284T277-L280 PolarHBondContact O-N 3.04Å; L280-M284 WeakPolarHBondContact O-CB 3.12Å
281K74Confident86.3Confident117 Ų11754.2 Ų54.251%0.50925%0.254SS..Hα-helixtrans-59.7-60.3-149-65.4-174.2178.2-170.40116.5A278 H279 W285A278-K281 WeakPolarHBondContact O-CE 3.45Å; A278-K281 WeakPolarHBondContact O-CG 3.45Å; H279-K281 PolarHBondContact O-N 3.35Å; K281-W285 HydrophobicContact CB-CE3 4.26Å; K281-W285 HydrophobicContact CB-CH2 3.58Å; K281-W285 HydrophobicContact CB-CZ2 3.86Å; K281-W285 HydrophobicContact CB-CZ3 3.78Å; K281-W285 HydrophobicContact CD-CH2 3.96Å; K281-W285 HydrophobicContact CD-CZ2 4.32Å; K281-W285 HydrophobicContact CG-CH2 4.03Å; K281-W285 HydrophobicContact CG-CZ2 4.09Å; K281-W285 VanDerWaalsContact O-CE3 3.25Å; K281-W285 VanDerWaalsContact O-CG 3.25Å; K281-W285 PolarHBondContact O-N 3.39Å
282R83.2Confident86.6Confident174 Ų17453.4 Ų53.466%0.65725%0.251SS*.Hα-helixtrans-76.2-49.6-157.5-168178-76.8177.5-5.3115.2N263 M284 W285 S286N263-R282 HydrophobicContact CB-CG 3.73Å; R282-M284 VanDerWaalsContact C-N 3.31Å; R282-M284 PolarHBondContact O-N 2.92Å; R282-W285 PolarHBondContact O-N 3.16Å; R282-S286 PolarHBondContact O-N 3.3Å
283Q88.8Confident87Confident91 Ų9152 Ų5243%0.42524%0.244SC..Hα-helixtrans-66.4-38.2-177.2-179.65949.500111W285 S286 D287 S319Q283-W285 PolarHBondContact O-N 3.09Å; Q283-S286 WeakPolarHBondContact O-CB 3.46Å; Q283-S286 PolarHBondContact O-N 3.12Å; Q283-D287 WeakPolarHBondContact CG-OD2 3.4Å; Q283-D287 PolarHBondContact NE2-OD2 3.46Å; Q283-D287 PolarHBondContact O-N 3.48Å; Q283-S319 PolarHBondContact NE2-OG 3.11Å
284M91.9Very high87.2Confident16 Ų1651.9 Ų51.98%0.07924%0.244CC..Hα-helixtrans-63.7-40.8179.4-169.8173.5172.600112.4V276 T277 L280 R282 S286 D287 I288 L313 V316V276-M284 HydrophobicContact CB-CE 4.15Å; V276-M284 HydrophobicContact CG1-CE 3.26Å; T277-M284 HydrophobicContact CG2-CB 4.1Å; T277-M284 HydrophobicContact CG2-CE 3.89Å; T277-M284 HydrophobicContact CG2-CG 3.69Å; T277-M284 HydrophobicContact CG2-SD 3.59Å; T277-M284 VanDerWaalsContact CG2-SD 3.59Å; L280-M284 WeakPolarHBondContact O-CB 3.12Å; R282-M284 VanDerWaalsContact C-N 3.31Å; R282-M284 PolarHBondContact O-N 2.92Å; M284-S286 VanDerWaalsContact C-N 3.32Å; M284-S286 PolarHBondContact O-N 3.22Å; M284-D287 PolarHBondContact O-N 3.44Å; M284-I288 HydrophobicContact CE-CD1 4.39Å; M284-I288 HydrophobicContact CG-CD1 4.18Å; M284-I288 WeakPolarHBondContact O-CB 3.44Å; M284-I288 VanDerWaalsContact O-CG1 3.25Å; M284-I288 WeakPolarHBondContact O-CG1 3.21Å; M284-I288 PolarHBondContact O-N 3.34Å; M284-L313 WeakPolarHBondContact CE-O 3.5Å; M284-V316 HydrophobicContact CE-CG1 4.34Å; M284-V316 HydrophobicContact CG-CG1 3.97Å
285W93.3Very high87.6Confident28 Ų2849.3 Ų49.311%0.10623%0.231CC..Hα-helixtrans-61.1-39.7173.2-64.2-37.6000112.8N263 Q264 P265 L274 T277 K281 R282 Q283 I288 A289N263-W285 WeakPolarHBondContact O-CZ3 3.46Å; Q264-W285 VanDerWaalsContact CA-CE3 3.5Å; Q264-W285 WeakPolarHBondContact O-CB 3.41Å; P265-W285 HydrophobicContact CG-CZ2 3.93Å; L274-W285 HydrophobicContact CD2-CZ2 4.28Å; T277-W285 HydrophobicContact CG2-CG 4.38Å; T277-W285 VanDerWaalsContact CG2-NE1 3.29Å; T277-W285 PolarHBondContact OG1-NE1 2.8Å; K281-W285 HydrophobicContact CB-CE3 4.26Å; K281-W285 HydrophobicContact CB-CH2 3.58Å; K281-W285 HydrophobicContact CB-CZ2 3.86Å; K281-W285 HydrophobicContact CB-CZ3 3.78Å; K281-W285 HydrophobicContact CD-CH2 3.96Å; K281-W285 HydrophobicContact CD-CZ2 4.32Å; K281-W285 HydrophobicContact CG-CH2 4.03Å; K281-W285 HydrophobicContact CG-CZ2 4.09Å; K281-W285 VanDerWaalsContact O-CE3 3.25Å; K281-W285 VanDerWaalsContact O-CG 3.25Å; K281-W285 PolarHBondContact O-N 3.39Å; R282-W285 PolarHBondContact O-N 3.16Å; Q283-W285 PolarHBondContact O-N 3.09Å; W285-I288 PolarHBondContact O-N 3.2Å; W285-A289 WeakPolarHBondContact O-CB 3.44Å; W285-A289 PolarHBondContact O-N 3.34Å
286S94.1Very high88.1Confident13 Ų1341 Ų419%0.09120%0.199CC..Hα-helixtrans-63.4-42.5173.5169.90000111.7T260 R282 Q283 M284 A289 A290T260-S286 PolarHBondContact O-OG 2.81Å; T260-S286 PolarHBondContact OG1-O 2.91Å; T260-S286 VanDerWaalsContact OG1-O 3.07Å; R282-S286 PolarHBondContact O-N 3.3Å; Q283-S286 WeakPolarHBondContact O-CB 3.46Å; Q283-S286 PolarHBondContact O-N 3.12Å; M284-S286 VanDerWaalsContact C-N 3.32Å; M284-S286 PolarHBondContact O-N 3.22Å; S286-A289 PolarHBondContact O-N 3.09Å; S286-A290 VanDerWaalsContact O-CB 3.25Å; S286-A290 WeakPolarHBondContact O-CB 3.38Å; S286-A290 PolarHBondContact O-N 3.35Å
287D95.5Very high88.6Confident6 Ų640.9 Ų40.93%0.03220%0.198CC..Hα-helixtrans-68.9-35.1177.9-76.8-54.5000113Q283 M284 A290 A291 V316 T318 S319Q283-D287 WeakPolarHBondContact CG-OD2 3.4Å; Q283-D287 PolarHBondContact NE2-OD2 3.46Å; Q283-D287 PolarHBondContact O-N 3.48Å; M284-D287 PolarHBondContact O-N 3.44Å; D287-A290 PolarHBondContact O-N 3.28Å; D287-A291 PolarHBondContact O-N 2.95Å; D287-V316 HydrophobicContact CB-CG1 4.21Å; D287-V316 HydrophobicContact CB-CG2 4.33Å; D287-T318 WeakPolarHBondContact O-CB 3.4Å; D287-T318 PolarHBondContact O-OG1 3.32Å; D287-T318 PolarHBondContact OD1-N 2.99Å; D287-S319 WeakPolarHBondContact OD1-CA 3.32Å; D287-S319 WeakPolarHBondContact OD1-CB 3.38Å; D287-S319 PolarHBondContact OD1-N 3.45Å; D287-S319 PolarHBondContact OD1-OG 3.21Å
288I95.8Very high89.3Confident0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-63.4-50.8171.8-72.4170.4000110.4R266 T277 M284 W285 A290 A291 C292 F298 V316R266-I288 HydrophobicContact CG-CG2 4.46Å; R266-I288 VanDerWaalsContact NE-CG2 3.26Å; T277-I288 HydrophobicContact CG2-CD1 3.76Å; M284-I288 HydrophobicContact CE-CD1 4.39Å; M284-I288 HydrophobicContact CG-CD1 4.18Å; M284-I288 WeakPolarHBondContact O-CB 3.44Å; M284-I288 VanDerWaalsContact O-CG1 3.25Å; M284-I288 WeakPolarHBondContact O-CG1 3.21Å; M284-I288 PolarHBondContact O-N 3.34Å; W285-I288 PolarHBondContact O-N 3.2Å; I288-A290 VanDerWaalsContact C-N 3.28Å; I288-A290 PolarHBondContact O-N 3.25Å; I288-A291 WeakPolarHBondContact O-CB 3.43Å; I288-A291 PolarHBondContact O-N 3.39Å; I288-A291 VanDerWaalsContact O-N 3.09Å; I288-C292 PolarHBondContact O-N 2.94Å; I288-C292 VanDerWaalsContact O-N 3.07Å; I288-C292 PolarHBondContact O-SG 2.86Å; I288-F298 HydrophobicContact CG2-CE1 3.95Å; I288-F298 HydrophobicContact CG2-CZ 3.81Å; I288-V316 HydrophobicContact CG1-CG1 3.74Å
289A95.8Very high90.7Very high1 Ų138.1 Ų38.11%0.00817%0.174CC..Hα-helixtrans-64.7-33.8178.200000111.9R200 T260 V262 W285 S286 C292 E293R200-A289 WeakPolarHBondContact CD-O 3.12Å; T260-A289 HydrophobicContact CG2-CB 4.32Å; T260-A289 WeakPolarHBondContact OG1-CB 3.23Å; V262-A289 HydrophobicContact CB-CB 4.26Å; V262-A289 HydrophobicContact CG2-CB 3.99Å; W285-A289 WeakPolarHBondContact O-CB 3.44Å; W285-A289 PolarHBondContact O-N 3.34Å; S286-A289 PolarHBondContact O-N 3.09Å; A289-C292 WeakPolarHBondContact O-CB 3.41Å; A289-C292 PolarHBondContact O-N 3.41Å; A289-E293 PolarHBondContact O-N 3.46Å
290A97.5Very high92.7Very high0 Ų029.5 Ų29.50%014%0.135CC..Hα-helixtrans-68.2-33.317200000112.7T260 S286 D287 I288 C292 E293 S294 T318T260-A290 HydrophobicContact CG2-CB 4.38Å; T260-A290 PolarHBondContact OG1-N 3.26Å; S286-A290 VanDerWaalsContact O-CB 3.25Å; S286-A290 WeakPolarHBondContact O-CB 3.38Å; S286-A290 PolarHBondContact O-N 3.35Å; D287-A290 PolarHBondContact O-N 3.28Å; I288-A290 VanDerWaalsContact C-N 3.28Å; I288-A290 PolarHBondContact O-N 3.25Å; A290-C292 VanDerWaalsContact C-N 3.32Å; A290-E293 WeakPolarHBondContact O-CB 3.47Å; A290-E293 PolarHBondContact O-N 3.12Å; A290-S294 PolarHBondContact O-N 3.39Å; A290-T318 HydrophobicContact CB-CG2 4.07Å
291A98.1Very high94.5Very high0 Ų023.1 Ų23.10%010%0.101CC..Hα-helixtrans-64.1-39.6171.100000110.9D287 I288 E293 S294 F298 W302 T318D287-A291 PolarHBondContact O-N 2.95Å; I288-A291 WeakPolarHBondContact O-CB 3.43Å; I288-A291 PolarHBondContact O-N 3.39Å; I288-A291 VanDerWaalsContact O-N 3.09Å; A291-E293 VanDerWaalsContact C-N 3.33Å; A291-E293 PolarHBondContact O-N 2.89Å; A291-S294 WeakPolarHBondContact O-CB 3.48Å; A291-S294 PolarHBondContact O-N 2.98Å; A291-S294 VanDerWaalsContact O-N 3.09Å; A291-S294 PolarHBondContact O-OG 3.42Å; A291-F298 HydrophobicContact CB-CD1 3.75Å; A291-F298 HydrophobicContact CB-CE1 3.86Å; A291-W302 HydrophobicContact CB-CG 4.44Å; A291-T318 HydrophobicContact CB-CG2 4.39Å
292C97.8Very high95.6Very high2 Ų217.6 Ų17.61%0.0148%0.077CC..Hα-helixtrans-64.1-38.1172.5-56.10000111.9N191 R266 I288 A289 A290 S294 G295 D297N191-C292 PolarHBondContact ND2-O 2.88Å; R266-C292 WeakPolarHBondContact CD-SG 3.37Å; R266-C292 PolarHBondContact NH1-SG 3.3Å; I288-C292 PolarHBondContact O-N 2.94Å; I288-C292 VanDerWaalsContact O-N 3.07Å; I288-C292 PolarHBondContact O-SG 2.86Å; A289-C292 WeakPolarHBondContact O-CB 3.41Å; A289-C292 PolarHBondContact O-N 3.41Å; A290-C292 VanDerWaalsContact C-N 3.32Å; C292-S294 PolarHBondContact O-N 3.22Å; C292-G295 PolarHBondContact O-N 3.46Å; C292-G295 VanDerWaalsContact O-N 3.07Å; C292-D297 HydrophobicContact CB-CB 4.49Å
293E98.2Very high96.2Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-61.9-27173.2-168173.8-111.600112.7R200 S201 Q202 R241 Y258 R259 T260 A289 A290 A291 G295R200-E293 WeakPolarHBondContact CA-OE1 3.44Å; R200-E293 HydrophobicContact CB-CB 4.13Å; R200-E293 HydrophobicContact CB-CG 4.3Å; S201-E293 PolarHBondContact N-OE1 3.17Å; S201-E293 WeakPolarHBondContact O-CA 3.24Å; S201-E293 WeakPolarHBondContact O-CG 3.31Å; Q202-E293 VanDerWaalsContact CA-O 3.27Å; Q202-E293 WeakPolarHBondContact CA-O 3.33Å; R241-E293 WeakPolarHBondContact CD-OE2 3.41Å; R241-E293 IonicContact CZ-OE1 2.75Å; R241-E293 VanDerWaalsContact CZ-OE1 3.28Å; R241-E293 IonicContact CZ-OE2 3.44Å; R241-E293 VanDerWaalsContact NE-CD 3.29Å; R241-E293 IonicContact NE-OE1 3.64Å; R241-E293 PolarHBondContact NE-OE1 3.11Å; R241-E293 IonicContact NE-OE2 2.71Å; R241-E293 PolarHBondContact NE-OE2 3.43Å; R241-E293 IonicContact NH2-OE1 3.32Å; R241-E293 PolarHBondContact NH2-OE1 2.86Å; R241-E293 IonicContact NH2-OE2 3.71Å; Y258-E293 HydrophobicContact CD1-CB 4.23Å; Y258-E293 HydrophobicContact CD1-CG 3.8Å; Y258-E293 HydrophobicContact CE1-CG 4.49Å; Y258-E293 WeakPolarHBondContact CE1-O 3.35Å; R259-E293 PolarHBondContact N-OE2 3.49Å; T260-E293 HydrophobicContact CG2-CB 4.05Å; A289-E293 PolarHBondContact O-N 3.46Å; A290-E293 WeakPolarHBondContact O-CB 3.47Å; A290-E293 PolarHBondContact O-N 3.12Å; A291-E293 VanDerWaalsContact C-N 3.33Å; A291-E293 PolarHBondContact O-N 2.89Å; E293-G295 VanDerWaalsContact C-N 3.26Å; E293-G295 PolarHBondContact O-N 3.41Å
294S98.4Very high96.4Very high0 Ų05.6 Ų5.60%03%0.031CC..THydrogen-bonded Turntrans-75.7-14.9175.580.70000113.8P203 Y258 A290 A291 C292 W296 W302P203-S294 VanDerWaalsContact CG-O 3.25Å; P203-S294 WeakPolarHBondContact CG-O 3.47Å; Y258-S294 VanDerWaalsContact CE2-CB 3.49Å; A290-S294 PolarHBondContact O-N 3.39Å; A291-S294 WeakPolarHBondContact O-CB 3.48Å; A291-S294 PolarHBondContact O-N 2.98Å; A291-S294 VanDerWaalsContact O-N 3.09Å; A291-S294 PolarHBondContact O-OG 3.42Å; C292-S294 PolarHBondContact O-N 3.22Å; S294-W296 PolarHBondContact O-N 3.17Å; S294-W296 PolarHBondContact OG-N 3.22Å; S294-W296 VanDerWaalsContact OG-N 3.08Å; S294-W302 WeakPolarHBondContact OG-CZ2 3.46Å; S294-W302 PolarHBondContact OG-NE1 3.22Å
295G97.7Very high96.4Very high2 Ų29.9 Ų9.92%0.0215%0.046CC..THydrogen-bonded Turntrans75.5-4-168.100000114.5W154 C292 E293 W440W154-G295 VanDerWaalsContact CZ2-O 3.27Å; W154-G295 WeakPolarHBondContact CZ2-O 3.32Å; C292-G295 PolarHBondContact O-N 3.46Å; C292-G295 VanDerWaalsContact O-N 3.07Å; E293-G295 VanDerWaalsContact C-N 3.26Å; E293-G295 PolarHBondContact O-N 3.41Å; G295-W440 WeakPolarHBondContact O-CZ2 3.25Å; G295-W440 PolarHBondContact O-NE1 3.43Å
296W98Very high96.2Very high2 Ų214.6 Ų14.61%0.0088%0.078CC..  trans-110.369.1179.6-68.549.9000111.5W154 S294 F298 T299 W302 Y391 T431 W440 L449W154-W296 AromaticContact CH2-CD1 3.74Å; W154-W296 AromaticContact CH2-NE1 3.84Å; S294-W296 PolarHBondContact O-N 3.17Å; S294-W296 PolarHBondContact OG-N 3.22Å; S294-W296 VanDerWaalsContact OG-N 3.08Å; W296-F298 WeakPolarHBondContact O-CA 3.24Å; W296-T299 HydrophobicContact CB-CG2 3.84Å; W296-T299 HydrophobicContact CE3-CG2 3.93Å; W296-W302 HydrophobicContact CB-CZ2 4.43Å; W296-W302 PolarHBondContact O-NE1 3.17Å; W296-Y391 HydrophobicContact CZ3-CD1 4.17Å; W296-T431 HydrophobicContact CD2-CG2 4.47Å; W296-T431 HydrophobicContact CE3-CG2 3.65Å; W296-T431 HydrophobicContact CH2-CG2 3.62Å; W296-T431 HydrophobicContact CZ2-CG2 4.45Å; W296-T431 HydrophobicContact CZ3-CG2 3.15Å; W296-W440 HydrophobicContact CB-CB 4.24Å; W296-W440 HydrophobicContact CB-CD2 4.13Å; W296-W440 HydrophobicContact CB-CG 4Å; W296-W440 AromaticContact CD1-CE3 3.97Å; W296-W440 HydrophobicContact CD2-CB 4.29Å; W296-W440 AromaticContact CD2-CD2 4Å; W296-W440 HydrophobicContact CD2-CD2 4Å; W296-W440 AromaticContact CD2-CE3 3.51Å; W296-W440 HydrophobicContact CD2-CE3 3.51Å; W296-W440 HydrophobicContact CD2-CG 4.34Å; W296-W440 HydrophobicContact CD2-CZ3 4.18Å; W296-W440 AromaticContact CE2-CE3 3.76Å; W296-W440 AromaticContact CE2-CZ3 3.98Å; W296-W440 HydrophobicContact CE3-CB 3.87Å; W296-W440 HydrophobicContact CE3-CD2 4.39Å; W296-W440 AromaticContact CE3-CE3 3.96Å; W296-W440 HydrophobicContact CE3-CE3 3.96Å; W296-W440 HydrophobicContact CE3-CG 4.41Å; W296-W440 HydrophobicContact CG-CB 4.46Å; W296-W440 AromaticContact CG-CD2 3.85Å; W296-W440 HydrophobicContact CG-CD2 3.85Å; W296-W440 AromaticContact CG-CE3 3.74Å; W296-W440 HydrophobicContact CG-CE3 3.74Å; W296-W440 HydrophobicContact CG-CG 4.17Å; W296-W440 HydrophobicContact CG-CZ3 4.3Å; W296-W440 HydrophobicContact CZ2-CE3 4.45Å; W296-W440 AromaticContact NE1-CE3 3.95Å; W296-W440 AromaticContact NE1-CZ3 3.84Å; W296-L449 HydrophobicContact CH2-CD1 3.62Å; W296-L449 HydrophobicContact CH2-CD2 4.08Å; W296-L449 HydrophobicContact CH2-CG 4.5Å; W296-L449 HydrophobicContact CZ2-CD1 3.43Å; W296-L449 VanDerWaalsContact CZ2-CD1 3.43Å; W296-L449 HydrophobicContact CZ2-CD2 3.31Å; W296-L449 HydrophobicContact CZ2-CG 3.93Å; W296-L449 HydrophobicContact CZ3-CD1 4.43Å
297D96.3Very high95.9Very high28 Ų2816.4 Ų16.415%0.1510%0.098CC..  trans-10499.2177.852.5-48.3000110.9C292 Q439C292-D297 HydrophobicContact CB-CB 4.49Å; D297-Q439 WeakPolarHBondContact O-CG 3.26Å; D297-Q439 PolarHBondContact O-NE2 3.12Å
298F97.2Very high95.4Very high2 Ų222.1 Ų22.11%0.00914%0.136CC..SBendcis-122.4171.4-5.4-54.1-73.9000112.2I288 A291 W296 F303 L313 E438 W440I288-F298 HydrophobicContact CG2-CE1 3.95Å; I288-F298 HydrophobicContact CG2-CZ 3.81Å; A291-F298 HydrophobicContact CB-CD1 3.75Å; A291-F298 HydrophobicContact CB-CE1 3.86Å; W296-F298 WeakPolarHBondContact O-CA 3.24Å; F298-F303 HydrophobicContact CB-CE1 4.22Å; F298-F303 HydrophobicContact CB-CZ 3.88Å; F298-L313 HydrophobicContact CB-CD1 4.05Å; F298-L313 HydrophobicContact CD1-CD1 3.6Å; F298-L313 HydrophobicContact CD2-CD1 3.79Å; F298-L313 HydrophobicContact CD2-CD2 3.75Å; F298-L313 HydrophobicContact CD2-CG 4.42Å; F298-L313 HydrophobicContact CE1-CD1 3.97Å; F298-L313 HydrophobicContact CE2-CD1 4.15Å; F298-L313 HydrophobicContact CE2-CD2 3.86Å; F298-L313 HydrophobicContact CG-CD1 3.51Å; F298-L313 HydrophobicContact CG-CD2 4.34Å; F298-L313 HydrophobicContact CZ-CD1 4.23Å; F298-E438 HydrophobicContact CB-CB 4.44Å; F298-E438 HydrophobicContact CB-CG 4.25Å; F298-E438 WeakPolarHBondContact O-CB 3.35Å; F298-W440 WeakPolarHBondContact O-CB 3.45Å; F298-W440 PolarHBondContact O-N 2.8Å
299T98Very high95Very high0 Ų026 Ų260%015%0.154CC..  trans-154.5149.8-174.9174.80000110.7W296 R301 W302 F303 W440 D441W296-T299 HydrophobicContact CB-CG2 3.84Å; W296-T299 HydrophobicContact CE3-CG2 3.93Å; T299-R301 HydrophobicContact CG2-CB 3.48Å; T299-R301 VanDerWaalsContact CG2-CB 3.48Å; T299-R301 PolarHBondContact O-N 3.4Å; T299-R301 PolarHBondContact OG1-N 3.24Å; T299-R301 VanDerWaalsContact OG1-N 3.15Å; T299-W302 HydrophobicContact CG2-CD2 4.44Å; T299-W302 HydrophobicContact CG2-CG 4.03Å; T299-W302 PolarHBondContact O-N 2.97Å; T299-W302 VanDerWaalsContact O-N 3.17Å; T299-F303 WeakPolarHBondContact O-CD1 3.12Å; T299-F303 VanDerWaalsContact O-CE1 3.27Å; T299-F303 WeakPolarHBondContact O-CE1 3.25Å; T299-F303 WeakPolarHBondContact O-CE2 3.27Å; T299-F303 WeakPolarHBondContact O-CZ 3.27Å; T299-W440 WeakPolarHBondContact CB-O 3.42Å; T299-W440 HydrophobicContact CG2-CB 4.4Å; T299-W440 PolarHBondContact OG1-O 3.44Å; T299-D441 PolarHBondContact OG1-OD1 3.02Å
300S97.2Very high94.8Very high0 Ų034 Ų340%018%0.184CC..G310 helixtrans-50-23.9166.767.90000113.8W302 F303 Y391 T434 D441S300-W302 PolarHBondContact O-N 3.38Å; S300-F303 VanDerWaalsContact CA-CD2 3.47Å; S300-F303 PolarHBondContact O-N 2.87Å; S300-Y391 VanDerWaalsContact C-OH 3.3Å; S300-Y391 PolarHBondContact O-OH 2.91Å; S300-Y391 WeakPolarHBondContact OG-CE1 3.46Å; S300-Y391 PolarHBondContact OG-OH 3.26Å; S300-T434 WeakPolarHBondContact OG-CB 3.43Å; S300-D441 WeakPolarHBondContact CB-OD1 3.44Å; S300-D441 VanDerWaalsContact CB-OD2 3.28Å; S300-D441 WeakPolarHBondContact CB-OD2 3.33Å; S300-D441 PolarHBondContact N-OD2 3.31Å; S300-D441 PolarHBondContact OG-OD1 3.38Å; S300-D441 PolarHBondContact OG-OD2 3.16Å
301R97.7Very high94.5Very high4 Ų437.1 Ų37.12%0.01520%0.2CC..G310 helixtrans-54.1-38.5177.2-165.9-179.8175.7-160.3-5.4112.8T299 I321 D325 D378 Y391 S393T299-R301 HydrophobicContact CG2-CB 3.48Å; T299-R301 VanDerWaalsContact CG2-CB 3.48Å; T299-R301 PolarHBondContact O-N 3.4Å; T299-R301 PolarHBondContact OG1-N 3.24Å; T299-R301 VanDerWaalsContact OG1-N 3.15Å; R301-I321 VanDerWaalsContact O-CD1 3.26Å; R301-I321 WeakPolarHBondContact O-CD1 3.17Å; R301-D325 IonicContact CZ-OD1 2.81Å; R301-D325 IonicContact CZ-OD2 3.71Å; R301-D325 IonicContact NH1-OD1 2.67Å; R301-D325 IonicContact NH1-OD2 2.71Å; R301-D325 PolarHBondContact NH1-OD2 3.12Å; R301-D325 VanDerWaalsContact NH2-CG 3.26Å; R301-D325 IonicContact NH2-OD1 2.85Å; R301-D325 PolarHBondContact NH2-OD1 3.3Å; R301-D325 IonicContact NH2-OD2 3.19Å; R301-D325 PolarHBondContact NH2-OD2 2.99Å; R301-D378 WeakPolarHBondContact CG-OD2 3.39Å; R301-D378 IonicContact CZ-OD1 3.94Å; R301-D378 IonicContact CZ-OD2 3.08Å; R301-D378 IonicContact NE-OD1 3.79Å; R301-D378 IonicContact NE-OD2 3.32Å; R301-D378 PolarHBondContact NE-OD2 3.03Å; R301-D378 IonicContact NH2-OD1 2.87Å; R301-D378 PolarHBondContact NH2-OD1 2.9Å; R301-D378 IonicContact NH2-OD2 3.76Å; R301-D378 PolarHBondContact NH2-OD2 3.14Å; R301-Y391 WeakPolarHBondContact CA-OH 3.47Å; R301-Y391 HydrophobicContact CB-CD1 3.89Å; R301-Y391 HydrophobicContact CB-CD2 4.42Å; R301-Y391 HydrophobicContact CB-CE1 3.56Å; R301-Y391 HydrophobicContact CB-CE2 4.1Å; R301-Y391 HydrophobicContact CB-CG 4.33Å; R301-Y391 HydrophobicContact CG-CD1 4.14Å; R301-Y391 HydrophobicContact CG-CD2 3.96Å; R301-Y391 HydrophobicContact CG-CE1 4.15Å; R301-Y391 HydrophobicContact CG-CE2 3.94Å; R301-Y391 HydrophobicContact CG-CG 4.07Å; R301-Y391 PolarHBondContact N-OH 3.23Å; R301-S393 VanDerWaalsContact CZ-CB 3.45Å; R301-S393 PolarHBondContact NE-OG 3.49Å; R301-S393 PolarHBondContact NH2-OG 2.92Å
302W97.7Very high94.2Very high0 Ų038.9 Ų38.90%021%0.212CC..G310 helixtrans-93.9-3-175.5-50.1133.7000114Y258 A291 S294 W296 T299 S300 V316 R317 T318 I321 P323Y258-W302 HydrophobicContact CD2-CH2 4.48Å; A291-W302 HydrophobicContact CB-CG 4.44Å; S294-W302 WeakPolarHBondContact OG-CZ2 3.46Å; S294-W302 PolarHBondContact OG-NE1 3.22Å; W296-W302 HydrophobicContact CB-CZ2 4.43Å; W296-W302 PolarHBondContact O-NE1 3.17Å; T299-W302 HydrophobicContact CG2-CD2 4.44Å; T299-W302 HydrophobicContact CG2-CG 4.03Å; T299-W302 PolarHBondContact O-N 2.97Å; T299-W302 VanDerWaalsContact O-N 3.17Å; S300-W302 PolarHBondContact O-N 3.38Å; W302-V316 HydrophobicContact CB-CG2 4.1Å; W302-R317 WeakPolarHBondContact O-CG 3.32Å; W302-R317 PolarHBondContact O-N 3Å; W302-T318 HydrophobicContact CD2-CG2 3.75Å; W302-T318 HydrophobicContact CE3-CG2 3.89Å; W302-T318 HydrophobicContact CG-CG2 4.07Å; W302-T318 HydrophobicContact CZ3-CG2 4.36Å; W302-I321 HydrophobicContact CE3-CB 4.3Å; W302-I321 HydrophobicContact CE3-CD1 3.82Å; W302-I321 HydrophobicContact CE3-CG2 4.31Å; W302-I321 HydrophobicContact CZ3-CB 4.19Å; W302-I321 HydrophobicContact CZ3-CD1 4.44Å; W302-I321 HydrophobicContact CZ3-CG2 3.85Å; W302-P323 HydrophobicContact CH2-CB 3.7Å; W302-P323 HydrophobicContact CH2-CG 4.37Å; W302-P323 HydrophobicContact CZ3-CB 3.97Å
303F95.7Very high94Very high5 Ų539.8 Ų39.82%0.02222%0.217CC..BIsolated β-bridgetrans-92.2147.7-169.8-60-15.4000111.8F298 T299 S300 S312 L313 V316 E438F298-F303 HydrophobicContact CB-CE1 4.22Å; F298-F303 HydrophobicContact CB-CZ 3.88Å; T299-F303 WeakPolarHBondContact O-CD1 3.12Å; T299-F303 VanDerWaalsContact O-CE1 3.27Å; T299-F303 WeakPolarHBondContact O-CE1 3.25Å; T299-F303 WeakPolarHBondContact O-CE2 3.27Å; T299-F303 WeakPolarHBondContact O-CZ 3.27Å; S300-F303 VanDerWaalsContact CA-CD2 3.47Å; S300-F303 PolarHBondContact O-N 2.87Å; F303-S312 VanDerWaalsContact CD2-C 3.44Å; F303-S312 WeakPolarHBondContact CG-O 3.2Å; F303-L313 HydrophobicContact CE1-CB 4.19Å; F303-L313 HydrophobicContact CE1-CD1 3.84Å; F303-L313 HydrophobicContact CZ-CB 4.01Å; F303-L313 HydrophobicContact CZ-CD1 4.2Å; F303-V316 HydrophobicContact CD1-CB 4.19Å; F303-V316 HydrophobicContact CD1-CG2 4.44Å; F303-V316 HydrophobicContact CE1-CB 4.32Å; F303-V316 HydrophobicContact CE1-CG2 4.42Å; F303-E438 HydrophobicContact CE2-CG 3.82Å; F303-E438 HydrophobicContact CZ-CG 3.84Å
304G93.2Very high93.7Very high9 Ų946.1 Ų46.19%0.09324%0.24CC..  trans-57.9139.1170.800000111.4R310 L311 S315G304-R310 CarbonylContact O-C 3.57Å; G304-R310 WeakPolarHBondContact O-CA 3.36Å; G304-L311 PolarHBondContact O-N 2.86Å; G304-S315 PolarHBondContact N-O 2.94Å; G304-S315 PolarHBondContact N-OG 3.08Å
305R90.5Very high93.4Very high105 Ų10547.2 Ų47.240%0.39625%0.248SC..SBendtrans-92.2-10.5-179.5-65.3-178.2176.1-95.6-12.2113.6Y391R305-Y391 PolarHBondContact NH2-OH 3.43Å
306V88.8Confident93.3Very high128 Ų12847.6 Ų47.678%0.77625%0.25SS*.SBendtrans-127159.6-176.6-62.40000111
307G88.4Confident93.1Very high50 Ų5050.3 Ų50.352%0.51526%0.261SS..SBendtrans88.5-179.3178.100000114.6H309 R310G307-H309 VanDerWaalsContact C-N 3.25Å; G307-H309 PolarHBondContact O-N 2.84Å; G307-R310 PolarHBondContact O-N 2.88Å
308P85.5Confident93.1Very high127 Ų12749 Ų4983%0.82525%0.254SS*.THydrogen-bonded Turntrans-70.4-18-169.727.8-35.6000114.2
309H87.5Confident93Very high82 Ų8249.4 Ų49.438%0.3826%0.257SS..THydrogen-bonded Turntrans-111.220.9179.6-61.2-44.8000112.4G307 S312 R314 S315G307-H309 VanDerWaalsContact C-N 3.25Å; G307-H309 PolarHBondContact O-N 2.84Å; H309-S312 PolarHBondContact O-N 3.41Å; H309-S312 PolarHBondContact O-OG 2.89Å; H309-R314 HydrophobicContact CB-CB 3.93Å; H309-S315 VanDerWaalsContact O-CB 3.28Å; H309-S315 WeakPolarHBondContact O-CB 3.49Å; H309-S315 PolarHBondContact O-OG 2.69Å
310R91.2Very high92.9Very high169 Ų16954.4 Ų54.464%0.63828%0.276SS*.THydrogen-bonded Turntrans-53.4141.7-178.869.2177.9-173.4166.31.3111.4G304 G307 S312G304-R310 CarbonylContact O-C 3.57Å; G304-R310 WeakPolarHBondContact O-CA 3.36Å; G307-R310 PolarHBondContact O-N 2.88Å; R310-S312 PolarHBondContact O-N 3.46Å
311L91.5Very high92.9Very high65 Ų6554.8 Ų54.834%0.3428%0.277SS..THydrogen-bonded Turntrans53.636179.8-54.8176.3000113.1G304 T434G304-L311 PolarHBondContact O-N 2.86Å; L311-T434 HydrophobicContact CD1-CG2 4.31Å
312S92.7Very high92.9Very high36 Ų3654.6 Ų54.625%0.25228%0.277SS..SBendtrans-134.9157.4171.575.50000111.6F303 H309 R310 R314 S315F303-S312 VanDerWaalsContact CD2-C 3.44Å; F303-S312 WeakPolarHBondContact CG-O 3.2Å; H309-S312 PolarHBondContact O-N 3.41Å; H309-S312 PolarHBondContact O-OG 2.89Å; R310-S312 PolarHBondContact O-N 3.46Å; S312-R314 PolarHBondContact O-N 2.83Å; S312-S315 PolarHBondContact O-N 3.47Å; S312-S315 PolarHBondContact O-OG 3.04Å
313L92.4Very high92.9Very high21 Ų2154.6 Ų54.611%0.1128%0.277CS..G310 helixtrans-54.4-27.3177.8-173.258.3000113.7V276 M284 F298 F303 S315 V316V276-L313 HydrophobicContact CG1-CB 4.2Å; V276-L313 HydrophobicContact CG1-CD2 4.06Å; V276-L313 HydrophobicContact CG1-CG 3.79Å; V276-L313 HydrophobicContact CG2-CD2 3.88Å; M284-L313 WeakPolarHBondContact CE-O 3.5Å; F298-L313 HydrophobicContact CB-CD1 4.05Å; F298-L313 HydrophobicContact CD1-CD1 3.6Å; F298-L313 HydrophobicContact CD2-CD1 3.79Å; F298-L313 HydrophobicContact CD2-CD2 3.75Å; F298-L313 HydrophobicContact CD2-CG 4.42Å; F298-L313 HydrophobicContact CE1-CD1 3.97Å; F298-L313 HydrophobicContact CE2-CD1 4.15Å; F298-L313 HydrophobicContact CE2-CD2 3.86Å; F298-L313 HydrophobicContact CG-CD1 3.51Å; F298-L313 HydrophobicContact CG-CD2 4.34Å; F298-L313 HydrophobicContact CZ-CD1 4.23Å; F303-L313 HydrophobicContact CE1-CB 4.19Å; F303-L313 HydrophobicContact CE1-CD1 3.84Å; F303-L313 HydrophobicContact CZ-CB 4.01Å; F303-L313 HydrophobicContact CZ-CD1 4.2Å; L313-S315 PolarHBondContact O-N 2.84Å; L313-S315 VanDerWaalsContact O-N 3.08Å; L313-V316 HydrophobicContact CD1-CB 4.14Å; L313-V316 HydrophobicContact CD1-CG1 4.35Å; L313-V316 HydrophobicContact CD1-CG2 4.42Å; L313-V316 WeakPolarHBondContact O-CB 3.27Å; L313-V316 VanDerWaalsContact O-CG1 3.22Å; L313-V316 WeakPolarHBondContact O-CG1 3.19Å; L313-V316 PolarHBondContact O-N 3.39Å; L313-V316 VanDerWaalsContact O-N 3.09Å
314R91.5Very high93.1Very high133 Ų13354.3 Ų54.350%0.50228%0.275SS..G310 helixtrans-64.1-11.4173.9-70.9-177.5179.1-143.6-1.6114.6V276 H309 S312V276-R314 HydrophobicContact CG1-CG 3.87Å; H309-R314 HydrophobicContact CB-CB 3.93Å; S312-R314 PolarHBondContact O-N 2.83Å
315S92.9Very high93.3Very high24 Ų2454.1 Ų54.117%0.16827%0.272CS..G310 helixtrans-114.815177.570.20000113.1G304 H309 S312 L313 R317G304-S315 PolarHBondContact N-O 2.94Å; G304-S315 PolarHBondContact N-OG 3.08Å; H309-S315 VanDerWaalsContact O-CB 3.28Å; H309-S315 WeakPolarHBondContact O-CB 3.49Å; H309-S315 PolarHBondContact O-OG 2.69Å; S312-S315 PolarHBondContact O-N 3.47Å; S312-S315 PolarHBondContact O-OG 3.04Å; L313-S315 PolarHBondContact O-N 2.84Å; L313-S315 VanDerWaalsContact O-N 3.08Å; S315-R317 PolarHBondContact O-N 2.86Å
316V94.6Very high93.7Very high10 Ų1049.1 Ų49.16%0.06125%0.253CS..BIsolated β-bridgetrans-56.9131.8179.767.40000111.4M284 D287 I288 W302 F303 L313 T318M284-V316 HydrophobicContact CE-CG1 4.34Å; M284-V316 HydrophobicContact CG-CG1 3.97Å; D287-V316 HydrophobicContact CB-CG1 4.21Å; D287-V316 HydrophobicContact CB-CG2 4.33Å; I288-V316 HydrophobicContact CG1-CG1 3.74Å; W302-V316 HydrophobicContact CB-CG2 4.1Å; F303-V316 HydrophobicContact CD1-CB 4.19Å; F303-V316 HydrophobicContact CD1-CG2 4.44Å; F303-V316 HydrophobicContact CE1-CB 4.32Å; F303-V316 HydrophobicContact CE1-CG2 4.42Å; L313-V316 HydrophobicContact CD1-CB 4.14Å; L313-V316 HydrophobicContact CD1-CG1 4.35Å; L313-V316 HydrophobicContact CD1-CG2 4.42Å; L313-V316 WeakPolarHBondContact O-CB 3.27Å; L313-V316 VanDerWaalsContact O-CG1 3.22Å; L313-V316 WeakPolarHBondContact O-CG1 3.19Å; L313-V316 PolarHBondContact O-N 3.39Å; L313-V316 VanDerWaalsContact O-N 3.09Å; V316-T318 WeakPolarHBondContact CG2-OG1 3.38Å
317R95Very high94.2Very high59 Ų5943.5 Ų43.522%0.22322%0.219CC..  trans-147.838.2-173.355.6-179.7-86.8128.8-4111.4W302 S315 S319 R320 D380 D382W302-R317 WeakPolarHBondContact O-CG 3.32Å; W302-R317 PolarHBondContact O-N 3Å; S315-R317 PolarHBondContact O-N 2.86Å; R317-S319 VanDerWaalsContact C-N 3.25Å; R317-S319 PolarHBondContact O-N 3.12Å; R317-S319 VanDerWaalsContact O-N 3.16Å; R317-R320 HydrophobicContact CB-CB 4.27Å; R317-R320 HydrophobicContact CB-CG 4.18Å; R317-R320 WeakPolarHBondContact O-CA 3.23Å; R317-R320 VanDerWaalsContact O-CB 3.27Å; R317-R320 WeakPolarHBondContact O-CB 3.09Å; R317-R320 PolarHBondContact O-N 3.38Å; R317-D380 IonicContact CZ-OD2 3.79Å; R317-D380 IonicContact NE-OD2 3.81Å; R317-D380 VanDerWaalsContact NH2-CG 3.29Å; R317-D380 IonicContact NH2-OD1 2.91Å; R317-D380 PolarHBondContact NH2-OD1 3.23Å; R317-D380 IonicContact NH2-OD2 2.6Å; R317-D380 PolarHBondContact NH2-OD2 3.3Å; R317-D382 IonicContact CZ-OD2 3.62Å; R317-D382 IonicContact NH1-OD2 3.54Å; R317-D382 PolarHBondContact NH1-OD2 3.4Å; R317-D382 IonicContact NH2-OD2 2.81Å; R317-D382 PolarHBondContact NH2-OD2 3.5Å
318T96.8Very high94.7Very high1 Ų141.1 Ų41.11%0.00619%0.194CC..G310 helixtrans-49.4-42.5-173.3-41.60000113.5D287 A290 A291 W302 V316 R320 I321D287-T318 WeakPolarHBondContact O-CB 3.4Å; D287-T318 PolarHBondContact O-OG1 3.32Å; D287-T318 PolarHBondContact OD1-N 2.99Å; A290-T318 HydrophobicContact CB-CG2 4.07Å; A291-T318 HydrophobicContact CB-CG2 4.39Å; W302-T318 HydrophobicContact CD2-CG2 3.75Å; W302-T318 HydrophobicContact CE3-CG2 3.89Å; W302-T318 HydrophobicContact CG-CG2 4.07Å; W302-T318 HydrophobicContact CZ3-CG2 4.36Å; V316-T318 WeakPolarHBondContact CG2-OG1 3.38Å; T318-R320 PolarHBondContact O-N 2.94Å; T318-R320 VanDerWaalsContact O-N 3.11Å; T318-I321 PolarHBondContact O-N 3.49Å; T318-I321 VanDerWaalsContact O-N 3.08Å
319S95.2Very high95.3Very high10 Ų1035.2 Ų35.27%0.0716%0.156CC..G310 helixtrans-69.8-5.5179.468.70000114.3Q257 Q283 D287 R317Q257-S319 PolarHBondContact NE2-O 2.81Å; Q283-S319 PolarHBondContact NE2-OG 3.11Å; D287-S319 WeakPolarHBondContact OD1-CA 3.32Å; D287-S319 WeakPolarHBondContact OD1-CB 3.38Å; D287-S319 PolarHBondContact OD1-N 3.45Å; D287-S319 PolarHBondContact OD1-OG 3.21Å; R317-S319 VanDerWaalsContact C-N 3.25Å; R317-S319 PolarHBondContact O-N 3.12Å; R317-S319 VanDerWaalsContact O-N 3.16Å
320R95.2Very high95.8Very high105 Ų10531.3 Ų31.340%0.39614%0.138SC..G310 helixtrans-100.17.4174.3-53.4-61.6176.5164.8-5.8112.8R317 T318 L381 D382R317-R320 HydrophobicContact CB-CB 4.27Å; R317-R320 HydrophobicContact CB-CG 4.18Å; R317-R320 WeakPolarHBondContact O-CA 3.23Å; R317-R320 VanDerWaalsContact O-CB 3.27Å; R317-R320 WeakPolarHBondContact O-CB 3.09Å; R317-R320 PolarHBondContact O-N 3.38Å; T318-R320 PolarHBondContact O-N 2.94Å; T318-R320 VanDerWaalsContact O-N 3.11Å; R320-L381 WeakPolarHBondContact O-CB 3.22Å; R320-L381 PolarHBondContact O-N 3.07Å; R320-D382 IonicContact NH1-OD1 3.95Å
321I97.1Very high96.2Very high7 Ų723.3 Ų23.34%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-120.5128.1177.6-63.9164.5000107.8R301 W302 T318 P323 D378 V379R301-I321 VanDerWaalsContact O-CD1 3.26Å; R301-I321 WeakPolarHBondContact O-CD1 3.17Å; W302-I321 HydrophobicContact CE3-CB 4.3Å; W302-I321 HydrophobicContact CE3-CD1 3.82Å; W302-I321 HydrophobicContact CE3-CG2 4.31Å; W302-I321 HydrophobicContact CZ3-CB 4.19Å; W302-I321 HydrophobicContact CZ3-CD1 4.44Å; W302-I321 HydrophobicContact CZ3-CG2 3.85Å; T318-I321 PolarHBondContact O-N 3.49Å; T318-I321 VanDerWaalsContact O-N 3.08Å; I321-P323 WeakPolarHBondContact O-CD 3.19Å; I321-D378 HydrophobicContact CG2-CB 3.76Å; I321-V379 WeakPolarHBondContact CA-O 3.31Å
322A97.8Very high96.5Very high0 Ų020.3 Ų20.30%09%0.092CC..EExtended strand (participates in β ladder)trans-87.2110.6163.600000107.3L255 F368 V379 L381L255-A322 HydrophobicContact CB-CB 4.14Å; L255-A322 HydrophobicContact CD1-CB 3.76Å; A322-F368 HydrophobicContact CB-CE1 4.37Å; A322-F368 HydrophobicContact CB-CZ 4.39Å; A322-F368 WeakPolarHBondContact O-CE1 3.35Å; A322-V379 HydrophobicContact CB-CB 4.39Å; A322-V379 PolarHBondContact N-O 2.86Å; A322-V379 PolarHBondContact O-N 2.69Å; A322-L381 HydrophobicContact CB-CD1 4.49Å; A322-L381 HydrophobicContact CB-CD2 3.88Å; A322-L381 HydrophobicContact CB-CG 4.22Å
323P98.3Very high96.8Very high0 Ų018.8 Ų18.80%08%0.081CC..  trans-91.9137.4-169.434.8-29.1000111.2F256 Y258 W302 I321 D325 L326 N327 D378F256-P323 WeakPolarHBondContact O-CD 3.35Å; Y258-P323 HydrophobicContact CD2-CB 4.49Å; Y258-P323 HydrophobicContact CD2-CG 3.6Å; Y258-P323 HydrophobicContact CE2-CB 4.44Å; Y258-P323 HydrophobicContact CE2-CG 3.73Å; W302-P323 HydrophobicContact CH2-CB 3.7Å; W302-P323 HydrophobicContact CH2-CG 4.37Å; W302-P323 HydrophobicContact CZ3-CB 3.97Å; I321-P323 WeakPolarHBondContact O-CD 3.19Å; P323-D325 VanDerWaalsContact C-N 3.33Å; P323-D325 WeakPolarHBondContact CB-OD1 3.48Å; P323-D325 PolarHBondContact O-N 3.26Å; P323-L326 HydrophobicContact CG-CB 3.85Å; P323-L326 HydrophobicContact CG-CD2 4.43Å; P323-L326 PolarHBondContact O-N 2.8Å; P323-N327 PolarHBondContact O-N 3.36Å; P323-N327 PolarHBondContact O-ND2 3.2Å; P323-D378 VanDerWaalsContact CA-OD1 3.23Å; P323-D378 WeakPolarHBondContact CA-OD1 3.48Å
324V98.3Very high97.1Very high0 Ų018 Ų180%08%0.077CC..Hα-helixtrans-61.7-39.5-174.464.50000112.5N327 A328 M364 F368 W376 D378 S393 P397V324-N327 PolarHBondContact O-N 3.35Å; V324-A328 VanDerWaalsContact O-CB 3.23Å; V324-A328 WeakPolarHBondContact O-CB 3.36Å; V324-A328 PolarHBondContact O-N 2.71Å; V324-M364 HydrophobicContact CG2-CE 3.69Å; V324-F368 HydrophobicContact CB-CD1 3.95Å; V324-F368 HydrophobicContact CG2-CB 4.25Å; V324-F368 HydrophobicContact CG2-CD1 4.23Å; V324-F368 HydrophobicContact CG2-CG 4.42Å; V324-W376 HydrophobicContact CG2-CB 3.44Å; V324-W376 VanDerWaalsContact CG2-CB 3.44Å; V324-W376 HydrophobicContact CG2-CG 4.26Å; V324-D378 WeakPolarHBondContact CG1-OD1 3.38Å; V324-D378 PolarHBondContact N-OD1 2.88Å; V324-S393 VanDerWaalsContact CG1-O 3.29Å; V324-S393 WeakPolarHBondContact CG1-O 3.09Å; V324-P397 HydrophobicContact CG2-CG 3.92Å
325D98.5Very high97.4Very high4 Ų413.7 Ų13.72%0.0216%0.064CC..Hα-helixtrans-65.6-47.2-179.453.3-8000112.1R301 P323 N327 A328 F329 I396R301-D325 IonicContact CZ-OD1 2.81Å; R301-D325 IonicContact CZ-OD2 3.71Å; R301-D325 IonicContact NH1-OD1 2.67Å; R301-D325 IonicContact NH1-OD2 2.71Å; R301-D325 PolarHBondContact NH1-OD2 3.12Å; R301-D325 VanDerWaalsContact NH2-CG 3.26Å; R301-D325 IonicContact NH2-OD1 2.85Å; R301-D325 PolarHBondContact NH2-OD1 3.3Å; R301-D325 IonicContact NH2-OD2 3.19Å; R301-D325 PolarHBondContact NH2-OD2 2.99Å; P323-D325 VanDerWaalsContact C-N 3.33Å; P323-D325 WeakPolarHBondContact CB-OD1 3.48Å; P323-D325 PolarHBondContact O-N 3.26Å; D325-N327 VanDerWaalsContact C-N 3.33Å; D325-N327 PolarHBondContact O-N 3.01Å; D325-A328 CarbonylContact O-C 3.32Å; D325-A328 WeakPolarHBondContact O-CB 3.45Å; D325-A328 PolarHBondContact O-N 3.35Å; D325-A328 VanDerWaalsContact O-N 3.16Å; D325-F329 HydrophobicContact CB-CD2 4.42Å; D325-F329 HydrophobicContact CB-CE2 3.87Å; D325-F329 HydrophobicContact CB-CZ 4.33Å; D325-F329 WeakPolarHBondContact O-CD2 3.25Å; D325-F329 VanDerWaalsContact O-CG 3.23Å; D325-F329 WeakPolarHBondContact O-CG 3.42Å; D325-F329 PolarHBondContact O-N 2.78Å; D325-I396 HydrophobicContact CB-CB 4.1Å; D325-I396 HydrophobicContact CB-CG1 3.97Å; D325-I396 HydrophobicContact CB-CG2 4.14Å
326L98.7Very high97.6Very high0 Ų013.7 Ų13.70%06%0.062CC..Hα-helixtrans-60.1-43.9177.4-177.956.9000112.2P204 W237 F256 Y258 P323 A328 F329 M330P204-L326 HydrophobicContact CG-CD1 4.02Å; W237-L326 HydrophobicContact CE3-CD1 3.77Å; W237-L326 HydrophobicContact CE3-CD2 4.24Å; W237-L326 HydrophobicContact CH2-CD1 3.98Å; W237-L326 HydrophobicContact CZ3-CD1 3.49Å; W237-L326 VanDerWaalsContact CZ3-CD1 3.49Å; W237-L326 HydrophobicContact CZ3-CD2 3.8Å; W237-L326 HydrophobicContact CZ3-CG 4.27Å; F256-L326 HydrophobicContact CB-CD2 3.72Å; F256-L326 HydrophobicContact CB-CG 3.72Å; Y258-L326 HydrophobicContact CD1-CD2 3.92Å; Y258-L326 HydrophobicContact CD2-CD2 4.29Å; Y258-L326 HydrophobicContact CE1-CB 4.43Å; Y258-L326 HydrophobicContact CE1-CD1 3.86Å; Y258-L326 HydrophobicContact CE1-CD2 3.87Å; Y258-L326 HydrophobicContact CE1-CG 4.25Å; Y258-L326 HydrophobicContact CE2-CB 3.85Å; Y258-L326 HydrophobicContact CE2-CD2 4.19Å; Y258-L326 HydrophobicContact CE2-CG 4.48Å; Y258-L326 HydrophobicContact CG-CD2 4.14Å; P323-L326 HydrophobicContact CG-CB 3.85Å; P323-L326 HydrophobicContact CG-CD2 4.43Å; P323-L326 PolarHBondContact O-N 2.8Å; L326-A328 VanDerWaalsContact C-N 3.31Å; L326-A328 PolarHBondContact O-N 3.15Å; L326-F329 PolarHBondContact O-N 2.71Å; L326-M330 HydrophobicContact CD1-CG 4.36Å; L326-M330 WeakPolarHBondContact O-CG 3.28Å; L326-M330 PolarHBondContact O-N 2.86Å
327N98.6Very high97.8Very high10 Ų1013.2 Ų13.25%0.0536%0.059CC..Hα-helixtrans-66.4-37.5178.1-72.7-92.1000110.9F256 P323 V324 D325 C331 M364 F368F256-N327 PolarHBondContact N-OD1 3.11Å; F256-N327 PolarHBondContact O-ND2 3.37Å; P323-N327 PolarHBondContact O-N 3.36Å; P323-N327 PolarHBondContact O-ND2 3.2Å; V324-N327 PolarHBondContact O-N 3.35Å; D325-N327 VanDerWaalsContact C-N 3.33Å; D325-N327 PolarHBondContact O-N 3.01Å; N327-C331 WeakPolarHBondContact O-CB 3.48Å; N327-C331 PolarHBondContact O-N 3.08Å; N327-M364 HydrophobicContact CB-SD 3.78Å; N327-F368 HydrophobicContact CB-CE2 3.98Å; N327-F368 HydrophobicContact CB-CZ 3.83Å; N327-F368 VanDerWaalsContact CG-CZ 3.43Å; N327-F368 WeakPolarHBondContact ND2-CZ 3.37Å
328A98.6Very high98Very high0 Ų010.5 Ų10.50%05%0.049CC..Hα-helixtrans-65.6-40.8172.900000112.6V324 D325 L326 C331 G332 M364 I396 P397 T400V324-A328 VanDerWaalsContact O-CB 3.23Å; V324-A328 WeakPolarHBondContact O-CB 3.36Å; V324-A328 PolarHBondContact O-N 2.71Å; D325-A328 CarbonylContact O-C 3.32Å; D325-A328 WeakPolarHBondContact O-CB 3.45Å; D325-A328 PolarHBondContact O-N 3.35Å; D325-A328 VanDerWaalsContact O-N 3.16Å; L326-A328 VanDerWaalsContact C-N 3.31Å; L326-A328 PolarHBondContact O-N 3.15Å; A328-C331 WeakPolarHBondContact O-CB 3.4Å; A328-C331 PolarHBondContact O-N 2.92Å; A328-G332 PolarHBondContact O-N 2.84Å; A328-M364 HydrophobicContact CB-CE 4.16Å; A328-I396 HydrophobicContact CB-CG2 4.05Å; A328-P397 HydrophobicContact CB-CG 4.04Å; A328-T400 HydrophobicContact CB-CG2 4.33Å; A328-T400 WeakPolarHBondContact O-CB 3.27Å; A328-T400 VanDerWaalsContact O-CG2 3.3Å; A328-T400 WeakPolarHBondContact O-CG2 3.43Å; A328-T400 PolarHBondContact O-OG1 3.41Å
329F98.7Very high98.1Very high3 Ų315 Ų151%0.0137%0.068CC..Hα-helixtrans-63.2-46.7176.8-67.5-44.3000111.3P203 P204 L205 D325 L326 C331 G332 N333 I396 F399 T400 M452P203-F329 HydrophobicContact CB-CD2 4.07Å; P203-F329 HydrophobicContact CB-CE2 3.76Å; P203-F329 HydrophobicContact CB-CZ 4.49Å; P203-F329 HydrophobicContact CG-CE2 4.49Å; P204-F329 HydrophobicContact CG-CB 4.15Å; L205-F329 HydrophobicContact CD2-CD1 3.78Å; L205-F329 HydrophobicContact CD2-CE1 3.88Å; L205-F329 HydrophobicContact CD2-CG 4.48Å; D325-F329 HydrophobicContact CB-CD2 4.42Å; D325-F329 HydrophobicContact CB-CE2 3.87Å; D325-F329 HydrophobicContact CB-CZ 4.33Å; D325-F329 WeakPolarHBondContact O-CD2 3.25Å; D325-F329 VanDerWaalsContact O-CG 3.23Å; D325-F329 WeakPolarHBondContact O-CG 3.42Å; D325-F329 PolarHBondContact O-N 2.78Å; L326-F329 PolarHBondContact O-N 2.71Å; F329-C331 VanDerWaalsContact C-N 3.32Å; F329-C331 PolarHBondContact O-N 2.98Å; F329-G332 PolarHBondContact O-N 3.11Å; F329-G332 VanDerWaalsContact O-N 3.16Å; F329-N333 VanDerWaalsContact O-CG 3.27Å; F329-N333 PolarHBondContact O-N 2.88Å; F329-N333 PolarHBondContact O-OD1 3.38Å; F329-I396 HydrophobicContact CD1-CG2 4.04Å; F329-I396 HydrophobicContact CE1-CG2 3.51Å; F329-I396 HydrophobicContact CZ-CG2 3.8Å; F329-F399 HydrophobicContact CE1-CD1 4.14Å; F329-F399 HydrophobicContact CE1-CE1 4.17Å; F329-T400 HydrophobicContact CD1-CG2 3.94Å; F329-M452 HydrophobicContact CE1-SD 3.73Å; F329-M452 HydrophobicContact CZ-CE 4.38Å; F329-M452 HydrophobicContact CZ-SD 3.77Å
330M98.6Very high98.2Very high1 Ų114.7 Ų14.71%0.0057%0.066CC..Hα-helixtrans-63.6-39.1177.9-67.3-54.1-59.600112.1P204 Y234 W237 F256 L326 N333 D334P204-M330 HydrophobicContact CB-SD 4.39Å; P204-M330 HydrophobicContact CG-SD 3.69Å; Y234-M330 HydrophobicContact CD2-CE 3.41Å; Y234-M330 VanDerWaalsContact CD2-CE 3.41Å; Y234-M330 HydrophobicContact CE2-CE 3.52Å; Y234-M330 HydrophobicContact CG-CE 4.18Å; W237-M330 HydrophobicContact CB-CE 3.5Å; W237-M330 HydrophobicContact CB-SD 3.74Å; W237-M330 HydrophobicContact CD2-SD 4.24Å; W237-M330 HydrophobicContact CG-CE 4.06Å; W237-M330 HydrophobicContact CG-SD 3.73Å; F256-M330 HydrophobicContact CD1-CG 3.85Å; F256-M330 HydrophobicContact CD2-CB 3.77Å; F256-M330 HydrophobicContact CD2-CG 3.81Å; F256-M330 HydrophobicContact CE1-CB 4.32Å; F256-M330 HydrophobicContact CE1-CE 3.91Å; F256-M330 HydrophobicContact CE1-CG 3.83Å; F256-M330 HydrophobicContact CE1-SD 4.48Å; F256-M330 HydrophobicContact CE2-CB 3.46Å; F256-M330 VanDerWaalsContact CE2-CB 3.46Å; F256-M330 HydrophobicContact CE2-CG 3.8Å; F256-M330 HydrophobicContact CG-CB 4.32Å; F256-M330 HydrophobicContact CG-CG 3.83Å; F256-M330 HydrophobicContact CZ-CB 3.76Å; F256-M330 HydrophobicContact CZ-CE 3.94Å; F256-M330 HydrophobicContact CZ-CG 3.8Å; L326-M330 HydrophobicContact CD1-CG 4.36Å; L326-M330 WeakPolarHBondContact O-CG 3.28Å; L326-M330 PolarHBondContact O-N 2.86Å; M330-N333 WeakPolarHBondContact O-CB 3.37Å; M330-N333 PolarHBondContact O-N 3.42Å; M330-D334 PolarHBondContact O-N 2.85Å; M330-D334 VanDerWaalsContact O-N 3.17Å
331C98.6Very high98.4Very high1 Ų110.8 Ų10.81%0.0075%0.051CC..Hα-helixtrans-61.1-46.7171.2-177.70000112.3N327 A328 F329 N333 D334 L335 Y357 A360 C402N327-C331 WeakPolarHBondContact O-CB 3.48Å; N327-C331 PolarHBondContact O-N 3.08Å; A328-C331 WeakPolarHBondContact O-CB 3.4Å; A328-C331 PolarHBondContact O-N 2.92Å; F329-C331 VanDerWaalsContact C-N 3.32Å; F329-C331 PolarHBondContact O-N 2.98Å; C331-N333 VanDerWaalsContact C-N 3.27Å; C331-N333 PolarHBondContact O-N 2.82Å; C331-D334 WeakPolarHBondContact O-CB 3.25Å; C331-D334 PolarHBondContact O-N 3.19Å; C331-L335 PolarHBondContact O-N 2.97Å; C331-Y357 VanDerWaalsContact O-CD2 3.3Å; C331-Y357 WeakPolarHBondContact O-CD2 3.4Å; C331-Y357 WeakPolarHBondContact SG-CD2 3.46Å; C331-Y357 VanDerWaalsContact SG-CE2 3.56Å; C331-A360 HydrophobicContact CB-CB 3.75Å; C331-A360 VanDerWaalsContact SG-CB 3.56Å; C331-C402 HydrophobicContact CB-CB 3.64Å; C331-C402 WeakPolarHBondContact CB-SG 3.41Å; C331-C402 WeakPolarHBondContact SG-CB 3.32Å; C331-C402 CovalentContact SG-SG 2.01Å; C331-C402 PolarHBondContact SG-SG 2.74Å
332G98.2Very high98.4Very high1 Ų117.3 Ų17.31%0.018%0.075CC..Hα-helixtrans-59.6-37.917500000112.6A328 F329 D334 L335 M336A328-G332 PolarHBondContact O-N 2.84Å; F329-G332 PolarHBondContact O-N 3.11Å; F329-G332 VanDerWaalsContact O-N 3.16Å; G332-D334 VanDerWaalsContact C-N 3.35Å; G332-D334 PolarHBondContact O-N 3.35Å; G332-L335 WeakPolarHBondContact O-CB 3.37Å; G332-L335 PolarHBondContact O-N 2.8Å; G332-M336 VanDerWaalsContact C-CE 3.41Å; G332-M336 WeakPolarHBondContact O-CE 3.38Å; G332-M336 PolarHBondContact O-N 2.69Å
333N98.7Very high98.3Very high4 Ų419.7 Ų19.72%0.02110%0.095CC..Hα-helixtrans-61.8-41.2176.4-72.1-11.2000111.5P204 Y234 F329 M330 C331 L335 M336 L337P204-N333 PolarHBondContact O-ND2 2.88Å; P204-N333 PolarHBondContact O-OD1 3.02Å; Y234-N333 HydrophobicContact CD2-CB 4.31Å; F329-N333 VanDerWaalsContact O-CG 3.27Å; F329-N333 PolarHBondContact O-N 2.88Å; F329-N333 PolarHBondContact O-OD1 3.38Å; M330-N333 WeakPolarHBondContact O-CB 3.37Å; M330-N333 PolarHBondContact O-N 3.42Å; C331-N333 VanDerWaalsContact C-N 3.27Å; C331-N333 PolarHBondContact O-N 2.82Å; N333-L335 PolarHBondContact O-N 2.85Å; N333-M336 PolarHBondContact O-N 3.34Å; N333-L337 VanDerWaalsContact O-CB 3.26Å; N333-L337 WeakPolarHBondContact O-CB 3.37Å; N333-L337 VanDerWaalsContact O-CG 3.24Å; N333-L337 WeakPolarHBondContact O-CG 3.19Å; N333-L337 PolarHBondContact O-N 3.12Å
334D98.6Very high98.3Very high5 Ų521 Ų213%0.02711%0.105CC..Hα-helixtrans-60.4-44172-82.3-58000112.3Y234 M330 C331 G332 M336 G338 H353 N356Y234-D334 PolarHBondContact OH-OD1 3.14Å; Y234-D334 PolarHBondContact OH-OD2 2.9Å; M330-D334 PolarHBondContact O-N 2.85Å; M330-D334 VanDerWaalsContact O-N 3.17Å; C331-D334 WeakPolarHBondContact O-CB 3.25Å; C331-D334 PolarHBondContact O-N 3.19Å; G332-D334 VanDerWaalsContact C-N 3.35Å; G332-D334 PolarHBondContact O-N 3.35Å; D334-M336 VanDerWaalsContact C-N 3.35Å; D334-M336 PolarHBondContact O-N 3.39Å; D334-G338 PolarHBondContact O-N 3.13Å; D334-H353 HydrophobicContact CB-CB 4.42Å; D334-H353 WeakPolarHBondContact O-CB 3.46Å; D334-H353 IonicContact OD1-CE1 3.36Å; D334-H353 IonicContact OD1-CG 3.98Å; D334-H353 IonicContact OD1-ND1 3.86Å; D334-H353 PolarHBondContact OD1-ND1 3.4Å; D334-N356 HydrophobicContact CB-CB 4.23Å; D334-N356 VanDerWaalsContact CG-CB 3.41Å; D334-N356 VanDerWaalsContact OD1-CB 3.28Å; D334-N356 WeakPolarHBondContact OD1-CB 3.33Å; D334-N356 PolarHBondContact OD1-ND2 3.46Å; D334-N356 WeakPolarHBondContact OD2-CB 3.47Å
335L98.2Very high98.1Very high43 Ų4323.8 Ų23.823%0.22514%0.135CC..Hα-helixtrans-58.7-46.7176.5176.162.4000111.9C331 G332 N333 K339 Y357 R401C331-L335 PolarHBondContact O-N 2.97Å; G332-L335 WeakPolarHBondContact O-CB 3.37Å; G332-L335 PolarHBondContact O-N 2.8Å; N333-L335 PolarHBondContact O-N 2.85Å; L335-K339 WeakPolarHBondContact O-CG 3.34Å; L335-K339 PolarHBondContact O-N 2.83Å; L335-Y357 HydrophobicContact CB-CD2 3.76Å; L335-Y357 HydrophobicContact CB-CE2 3.75Å; L335-Y357 HydrophobicContact CB-CG 4.17Å; L335-Y357 HydrophobicContact CD1-CD1 4.3Å; L335-Y357 HydrophobicContact CD1-CE1 4.04Å; L335-Y357 HydrophobicContact CD2-CE2 4.21Å; L335-Y357 HydrophobicContact CG-CE2 4.4Å; L335-R401 HydrophobicContact CD2-CB 4.43Å
336M98.3Very high98.1Very high24 Ų2426.6 Ų26.612%0.11815%0.149CC..Hα-helixtrans-71.5-44.4-177.9-72.3176.6-75.300111.9T207 S208 Y211 G332 N333 D334 G338 K339 L340T207-M336 HydrophobicContact CG2-CB 3.58Å; T207-M336 HydrophobicContact CG2-CE 4.4Å; S208-M336 VanDerWaalsContact OG-CE 3.31Å; S208-M336 WeakPolarHBondContact OG-CE 3.47Å; Y211-M336 HydrophobicContact CD1-CG 4.22Å; Y211-M336 HydrophobicContact CD1-SD 4.19Å; Y211-M336 HydrophobicContact CD2-CB 4.14Å; Y211-M336 HydrophobicContact CD2-CG 4.06Å; Y211-M336 HydrophobicContact CE2-CG 4.47Å; Y211-M336 HydrophobicContact CG-CB 4.3Å; Y211-M336 HydrophobicContact CG-CG 3.93Å; Y211-M336 HydrophobicContact CG-SD 4.1Å; G332-M336 VanDerWaalsContact C-CE 3.41Å; G332-M336 WeakPolarHBondContact O-CE 3.38Å; G332-M336 PolarHBondContact O-N 2.69Å; N333-M336 PolarHBondContact O-N 3.34Å; D334-M336 VanDerWaalsContact C-N 3.35Å; D334-M336 PolarHBondContact O-N 3.39Å; M336-G338 VanDerWaalsContact C-N 3.29Å; M336-G338 PolarHBondContact O-N 3.34Å; M336-K339 PolarHBondContact O-N 3.25Å; M336-K339 VanDerWaalsContact O-N 3.12Å; M336-L340 WeakPolarHBondContact O-CB 3.39Å; M336-L340 VanDerWaalsContact O-CG 3.3Å; M336-L340 WeakPolarHBondContact O-CG 3.48Å; M336-L340 PolarHBondContact O-N 3.29Å
337L98.6Very high98Very high0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-58.2-42.3174.6-74.4171.1000111.1T207 L227 L230 Y234 N333 K339 L340 Y341 H353T207-L337 HydrophobicContact CG2-CD2 4.19Å; T207-L337 HydrophobicContact CG2-CG 3.98Å; L227-L337 HydrophobicContact CD2-CD2 4.44Å; L230-L337 HydrophobicContact CB-CD2 3.86Å; L230-L337 HydrophobicContact CD1-CD2 4.14Å; Y234-L337 HydrophobicContact CD2-CD1 4Å; Y234-L337 HydrophobicContact CG-CD1 4.16Å; N333-L337 VanDerWaalsContact O-CB 3.26Å; N333-L337 WeakPolarHBondContact O-CB 3.37Å; N333-L337 VanDerWaalsContact O-CG 3.24Å; N333-L337 WeakPolarHBondContact O-CG 3.19Å; N333-L337 PolarHBondContact O-N 3.12Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.26Å; L337-L340 PolarHBondContact O-N 2.69Å; L337-Y341 HydrophobicContact CB-CD2 4.32Å; L337-Y341 HydrophobicContact CB-CE2 4.45Å; L337-Y341 HydrophobicContact CD2-CE2 4.18Å; L337-Y341 WeakPolarHBondContact O-CB 3.42Å; L337-Y341 VanDerWaalsContact O-CD2 3.25Å; L337-Y341 WeakPolarHBondContact O-CD2 3.26Å; L337-Y341 PolarHBondContact O-N 3.13Å; L337-H353 HydrophobicContact CB-CB 4.4Å; L337-H353 VanDerWaalsContact CD1-CE1 3.5Å; L337-H353 WeakPolarHBondContact CD1-CE1 3.49Å
338G98.3Very high97.9Very high1 Ų136.9 Ų36.91%0.0121%0.208CC..Hα-helixtrans-54.1-47.5173.900000112.6D334 M336 R342 A350D334-G338 PolarHBondContact O-N 3.13Å; M336-G338 VanDerWaalsContact C-N 3.29Å; M336-G338 PolarHBondContact O-N 3.34Å; G338-R342 WeakPolarHBondContact O-CB 3.39Å; G338-R342 PolarHBondContact O-N 3.48Å; G338-R342 VanDerWaalsContact O-N 3.14Å; G338-A350 VanDerWaalsContact O-CB 3.24Å; G338-A350 WeakPolarHBondContact O-CB 3.41Å
339K98.2Very high97.9Very high97 Ų9738.9 Ų38.942%0.42222%0.22SC..Hα-helixtrans-67.2-44.4177.2-68.8177.7-179.2-179.60112.7Y211 L335 M336 L337 R342 A343Y211-K339 HydrophobicContact CE2-CB 3.97Å; Y211-K339 HydrophobicContact CE2-CD 3.72Å; Y211-K339 WeakPolarHBondContact OH-CD 3.46Å; Y211-K339 PolarHBondContact OH-NZ 3.03Å; L335-K339 WeakPolarHBondContact O-CG 3.34Å; L335-K339 PolarHBondContact O-N 2.83Å; M336-K339 PolarHBondContact O-N 3.25Å; M336-K339 VanDerWaalsContact O-N 3.12Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.26Å; K339-R342 WeakPolarHBondContact O-CB 3.44Å; K339-R342 PolarHBondContact O-N 3.17Å; K339-A343 PolarHBondContact O-N 3.1Å
340L98.4Very high97.9Very high2 Ų238.8 Ų38.81%0.0122%0.219CC..Hα-helixtrans-65.4-45.2-178.6-70.6179.4000112T207 V210 Y211 F214 L223 L227 L230 M336 L337 R342 A343 A344T207-L340 HydrophobicContact CG2-CD1 4.39Å; V210-L340 HydrophobicContact CG1-CD1 4.17Å; Y211-L340 HydrophobicContact CD2-CD2 3.88Å; Y211-L340 HydrophobicContact CD2-CG 4.04Å; F214-L340 HydrophobicContact CB-CD2 4.42Å; F214-L340 HydrophobicContact CD1-CD2 3.96Å; F214-L340 HydrophobicContact CG-CD2 4.39Å; L223-L340 HydrophobicContact CD1-CB 4.12Å; L223-L340 HydrophobicContact CD1-CD1 4.32Å; L223-L340 HydrophobicContact CD1-CD2 3.78Å; L223-L340 HydrophobicContact CD1-CG 4.28Å; L223-L340 HydrophobicContact CD2-CD2 4.41Å; L227-L340 HydrophobicContact CD2-CB 3.91Å; L230-L340 HydrophobicContact CD1-CD1 4.09Å; M336-L340 WeakPolarHBondContact O-CB 3.39Å; M336-L340 VanDerWaalsContact O-CG 3.3Å; M336-L340 WeakPolarHBondContact O-CG 3.48Å; M336-L340 PolarHBondContact O-N 3.29Å; L337-L340 PolarHBondContact O-N 2.69Å; L340-R342 VanDerWaalsContact C-N 3.3Å; L340-R342 PolarHBondContact O-N 3.16Å; L340-A343 PolarHBondContact O-N 3.48Å; L340-A344 WeakPolarHBondContact O-CB 3.22Å; L340-A344 PolarHBondContact O-N 3.43Å
341Y98.2Very high97.9Very high23 Ų2344.2 Ų44.29%0.0924%0.243CC..Hα-helixtrans-64.4-35.8175.1-83.2-65.7000112.3L227 E231 L337 A344 G345 N346 V349 H353L227-Y341 HydrophobicContact CB-CE1 4.08Å; L227-Y341 HydrophobicContact CD1-CD1 3.91Å; L227-Y341 HydrophobicContact CD1-CE1 4.07Å; L227-Y341 HydrophobicContact CD2-CD1 4.04Å; L227-Y341 HydrophobicContact CD2-CD2 4.1Å; L227-Y341 HydrophobicContact CD2-CE1 3.93Å; L227-Y341 HydrophobicContact CD2-CE2 4Å; L227-Y341 HydrophobicContact CD2-CG 4.13Å; L227-Y341 HydrophobicContact CG-CD1 4.46Å; L227-Y341 HydrophobicContact CG-CE1 4.26Å; E231-Y341 PolarHBondContact OE2-OH 3.44Å; L337-Y341 HydrophobicContact CB-CD2 4.32Å; L337-Y341 HydrophobicContact CB-CE2 4.45Å; L337-Y341 HydrophobicContact CD2-CE2 4.18Å; L337-Y341 WeakPolarHBondContact O-CB 3.42Å; L337-Y341 VanDerWaalsContact O-CD2 3.25Å; L337-Y341 WeakPolarHBondContact O-CD2 3.26Å; L337-Y341 PolarHBondContact O-N 3.13Å; Y341-A344 CarbonylContact O-C 3.07Å; Y341-A344 PolarHBondContact O-N 3.11Å; Y341-G345 PolarHBondContact O-N 3.48Å; Y341-N346 HydrophobicContact CD1-CB 4.15Å; Y341-N346 PolarHBondContact O-N 3.11Å; Y341-V349 HydrophobicContact CD1-CB 4.19Å; Y341-V349 HydrophobicContact CD1-CG1 4.04Å; Y341-V349 HydrophobicContact CD2-CB 4.31Å; Y341-V349 HydrophobicContact CD2-CG1 3.52Å; Y341-V349 HydrophobicContact CE1-CB 4.48Å; Y341-V349 HydrophobicContact CE1-CG1 4.02Å; Y341-V349 HydrophobicContact CE2-CG1 3.49Å; Y341-V349 VanDerWaalsContact CE2-CG1 3.49Å; Y341-V349 HydrophobicContact CG-CB 4.09Å; Y341-V349 HydrophobicContact CG-CG1 3.8Å; Y341-H353 AromaticContact CD2-CD2 3.81Å; Y341-H353 AromaticContact CD2-NE2 3.95Å; Y341-H353 AromaticContact CE2-CD2 3.96Å; Y341-H353 AromaticContact CE2-NE2 3.61Å
342R97.5Very high97.8Very high145 Ų14548.4 Ų48.455%0.54726%0.263SS..Hα-helixtrans-63.7-44.9173.8-173.8178.5-71.4-113.91.3111.1G338 K339 L340 A344 G345 A350 E354G338-R342 WeakPolarHBondContact O-CB 3.39Å; G338-R342 PolarHBondContact O-N 3.48Å; G338-R342 VanDerWaalsContact O-N 3.14Å; K339-R342 WeakPolarHBondContact O-CB 3.44Å; K339-R342 PolarHBondContact O-N 3.17Å; L340-R342 VanDerWaalsContact C-N 3.3Å; L340-R342 PolarHBondContact O-N 3.16Å; R342-A344 VanDerWaalsContact C-N 3.31Å; R342-A344 PolarHBondContact O-N 3.04Å; R342-G345 PolarHBondContact O-N 3.35Å; R342-G345 VanDerWaalsContact O-N 3.12Å; R342-A350 HydrophobicContact CB-CB 3.93Å; R342-E354 IonicContact CZ-OE1 3.38Å; R342-E354 IonicContact NE-OE1 3.36Å; R342-E354 PolarHBondContact NE-OE1 3.47Å; R342-E354 VanDerWaalsContact NH2-CD 3.33Å; R342-E354 IonicContact NH2-OE1 2.65Å; R342-E354 PolarHBondContact NH2-OE1 3.41Å; R342-E354 IonicContact NH2-OE2 3.21Å; R342-E354 PolarHBondContact NH2-OE2 3.18Å
343A96.9Very high97.8Very high50 Ų5048.6 Ų48.641%0.41326%0.263SS..Hα-helixtrans-62.2-37.517500000112.2F214 L223 K339 L340 G345F214-A343 HydrophobicContact CE1-CB 3.9Å; F214-A343 HydrophobicContact CZ-CB 4.16Å; L223-A343 HydrophobicContact CD2-CB 4.35Å; K339-A343 PolarHBondContact O-N 3.1Å; L340-A343 PolarHBondContact O-N 3.48Å; A343-G345 PolarHBondContact O-N 3.36Å
344A96.7Very high97.8Very high26 Ų2651.6 Ų51.622%0.21528%0.277CS..THydrogen-bonded Turntrans-75.61.7175.100000114.7L223 L227 L340 Y341 R342L223-A344 HydrophobicContact CD2-CB 4.44Å; L227-A344 HydrophobicContact CD1-CB 3.41Å; L227-A344 VanDerWaalsContact CD1-CB 3.41Å; L340-A344 WeakPolarHBondContact O-CB 3.22Å; L340-A344 PolarHBondContact O-N 3.43Å; Y341-A344 CarbonylContact O-C 3.07Å; Y341-A344 PolarHBondContact O-N 3.11Å; R342-A344 VanDerWaalsContact C-N 3.31Å; R342-A344 PolarHBondContact O-N 3.04Å
345G96.1Very high97.8Very high60 Ų6058.6 Ų58.662%0.61930%0.303SS*.THydrogen-bonded Turntrans80.820.5177.100000115.1Y341 R342 A343 P347Y341-G345 PolarHBondContact O-N 3.48Å; R342-G345 PolarHBondContact O-N 3.35Å; R342-G345 VanDerWaalsContact O-N 3.12Å; A343-G345 PolarHBondContact O-N 3.36Å; G345-P347 VanDerWaalsContact C-CD 3.48Å; G345-P347 WeakPolarHBondContact O-CD 3.4Å
346N96.7Very high97.8Very high62 Ų6258.7 Ų58.733%0.33230%0.304SS..  trans-111.879.1176.4-167.5-19.9000112Y341 I348 V349 A350Y341-N346 HydrophobicContact CD1-CB 4.15Å; Y341-N346 PolarHBondContact O-N 3.11Å; N346-I348 VanDerWaalsContact C-N 3.26Å; N346-I348 PolarHBondContact O-N 3.46Å; N346-V349 WeakPolarHBondContact ND2-CG2 3.44Å; N346-V349 WeakPolarHBondContact OD1-CG2 3.4Å; N346-V349 PolarHBondContact OD1-N 3.44Å; N346-A350 WeakPolarHBondContact O-CB 3.3Å; N346-A350 PolarHBondContact O-N 3.39Å; N346-A350 VanDerWaalsContact O-N 3.13Å
347P96.4Very high97.8Very high85 Ų8558.7 Ų58.755%0.55230%0.303SS*.Hα-helixtrans-69.3-21-175.528.4-36.1000113.8G345 K351G345-P347 VanDerWaalsContact C-CD 3.48Å; G345-P347 WeakPolarHBondContact O-CD 3.4Å; P347-K351 WeakPolarHBondContact O-CB 3.43Å; P347-K351 PolarHBondContact O-N 2.99Å
348I98Very high97.8Very high141 Ų14162.6 Ų62.672%0.72332%0.321SS*.Hα-helixtrans-70.6-52-179.4-62.6175.8000109.6N346 A350 K351 Q352N346-I348 VanDerWaalsContact C-N 3.26Å; N346-I348 PolarHBondContact O-N 3.46Å; I348-A350 VanDerWaalsContact C-N 3.35Å; I348-K351 PolarHBondContact O-N 2.84Å; I348-Q352 PolarHBondContact O-N 3.29Å
349V97.5Very high97.7Very high43 Ų4365 Ų6526%0.26134%0.34SS..Hα-helixtrans-67.7-39.1178.3-177.70000110.3Y341 N346 K351 Q352 H353Y341-V349 HydrophobicContact CD1-CB 4.19Å; Y341-V349 HydrophobicContact CD1-CG1 4.04Å; Y341-V349 HydrophobicContact CD2-CB 4.31Å; Y341-V349 HydrophobicContact CD2-CG1 3.52Å; Y341-V349 HydrophobicContact CE1-CB 4.48Å; Y341-V349 HydrophobicContact CE1-CG1 4.02Å; Y341-V349 HydrophobicContact CE2-CG1 3.49Å; Y341-V349 VanDerWaalsContact CE2-CG1 3.49Å; Y341-V349 HydrophobicContact CG-CB 4.09Å; Y341-V349 HydrophobicContact CG-CG1 3.8Å; N346-V349 WeakPolarHBondContact ND2-CG2 3.44Å; N346-V349 WeakPolarHBondContact OD1-CG2 3.4Å; N346-V349 PolarHBondContact OD1-N 3.44Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 3.04Å; V349-Q352 WeakPolarHBondContact O-CB 3.46Å; V349-Q352 PolarHBondContact O-N 2.64Å; V349-H353 PolarHBondContact O-CD2 3.03Å; V349-H353 PolarHBondContact O-N 3.01Å; V349-H353 VanDerWaalsContact O-N 3.12Å
350A98.4Very high97.6Very high0 Ų061.2 Ų61.20%033%0.328CS..Hα-helixtrans-53.3-47.9173.700000112.4G338 R342 N346 I348 Q352 H353 E354G338-A350 VanDerWaalsContact O-CB 3.24Å; G338-A350 WeakPolarHBondContact O-CB 3.41Å; R342-A350 HydrophobicContact CB-CB 3.93Å; N346-A350 WeakPolarHBondContact O-CB 3.3Å; N346-A350 PolarHBondContact O-N 3.39Å; N346-A350 VanDerWaalsContact O-N 3.13Å; I348-A350 VanDerWaalsContact C-N 3.35Å; A350-Q352 VanDerWaalsContact C-N 3.27Å; A350-Q352 PolarHBondContact O-N 3.3Å; A350-H353 PolarHBondContact O-N 2.85Å; A350-E354 WeakPolarHBondContact O-CG 3.39Å; A350-E354 PolarHBondContact O-N 3.48Å
351K98.5Very high97.6Very high116 Ų11661.9 Ų61.950%0.50433%0.33SS..Hα-helixtrans-67.6-25.8179-168.3162.9-172.9170.20113.2P347 I348 V349 R355P347-K351 WeakPolarHBondContact O-CB 3.43Å; P347-K351 PolarHBondContact O-N 2.99Å; I348-K351 PolarHBondContact O-N 2.84Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 3.04Å; K351-R355 WeakPolarHBondContact O-CG 3.37Å; K351-R355 PolarHBondContact O-N 2.89Å
352Q98.2Very high97.4Very high89 Ų8966.5 Ų66.542%0.41635%0.351SS..Hα-helixtrans-69.1-48.9173.8-176.656.444.700110.9I348 V349 A350 E354 R355 N356I348-Q352 PolarHBondContact O-N 3.29Å; V349-Q352 WeakPolarHBondContact O-CB 3.46Å; V349-Q352 PolarHBondContact O-N 2.64Å; A350-Q352 VanDerWaalsContact C-N 3.27Å; A350-Q352 PolarHBondContact O-N 3.3Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E354 PolarHBondContact O-N 2.86Å; Q352-R355 WeakPolarHBondContact O-CB 3.42Å; Q352-R355 PolarHBondContact O-N 3.38Å; Q352-R355 VanDerWaalsContact O-N 3.14Å; Q352-N356 PolarHBondContact NE2-OD1 3.43Å; Q352-N356 PolarHBondContact O-N 2.91Å; Q352-N356 PolarHBondContact O-OD1 3.39Å
353H98.4Very high97.3Very high4 Ų461.7 Ų61.72%0.01934%0.336CS..Hα-helixtrans-64.5-35.8176-71.5-72.1000112.6E231 D334 L337 Y341 V349 A350 R355 N356 Y357E231-H353 IonicContact OE1-CE1 3.12Å; E231-H353 IonicContact OE2-CE1 2.84Å; E231-H353 PolarHBondContact OE2-CE1 3.24Å; E231-H353 IonicContact OE2-NE2 2.79Å; E231-H353 PolarHBondContact OE2-NE2 3.45Å; E231-H353 VanDerWaalsContact OE2-NE2 3.12Å; D334-H353 HydrophobicContact CB-CB 4.42Å; D334-H353 WeakPolarHBondContact O-CB 3.46Å; D334-H353 IonicContact OD1-CE1 3.36Å; D334-H353 IonicContact OD1-CG 3.98Å; D334-H353 IonicContact OD1-ND1 3.86Å; D334-H353 PolarHBondContact OD1-ND1 3.4Å; L337-H353 HydrophobicContact CB-CB 4.4Å; L337-H353 VanDerWaalsContact CD1-CE1 3.5Å; L337-H353 WeakPolarHBondContact CD1-CE1 3.49Å; Y341-H353 AromaticContact CD2-CD2 3.81Å; Y341-H353 AromaticContact CD2-NE2 3.95Å; Y341-H353 AromaticContact CE2-CD2 3.96Å; Y341-H353 AromaticContact CE2-NE2 3.61Å; V349-H353 PolarHBondContact O-CD2 3.03Å; V349-H353 PolarHBondContact O-N 3.01Å; V349-H353 VanDerWaalsContact O-N 3.12Å; A350-H353 PolarHBondContact O-N 2.85Å; H353-R355 VanDerWaalsContact C-N 3.28Å; H353-R355 PolarHBondContact O-N 3.2Å; H353-N356 WeakPolarHBondContact O-CB 3.46Å; H353-N356 PolarHBondContact O-N 2.76Å; H353-N356 VanDerWaalsContact O-N 3.15Å; H353-Y357 WeakPolarHBondContact O-CB 3.48Å; H353-Y357 PolarHBondContact O-N 3.21Å
354E98.1Very high97.3Very high68 Ų6859.4 Ų59.432%0.31832%0.317SS..Hα-helixtrans-57.3-41.5172.1-74.8165.9-164.700111.9R342 A350 Q352 Y357 E358R342-E354 IonicContact CZ-OE1 3.38Å; R342-E354 IonicContact NE-OE1 3.36Å; R342-E354 PolarHBondContact NE-OE1 3.47Å; R342-E354 VanDerWaalsContact NH2-CD 3.33Å; R342-E354 IonicContact NH2-OE1 2.65Å; R342-E354 PolarHBondContact NH2-OE1 3.41Å; R342-E354 IonicContact NH2-OE2 3.21Å; R342-E354 PolarHBondContact NH2-OE2 3.18Å; A350-E354 WeakPolarHBondContact O-CG 3.39Å; A350-E354 PolarHBondContact O-N 3.48Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E354 PolarHBondContact O-N 2.86Å; E354-Y357 PolarHBondContact O-N 2.87Å; E354-E358 WeakPolarHBondContact O-CG 3.49Å; E354-E358 PolarHBondContact O-N 3.23Å; E354-E358 VanDerWaalsContact O-N 3.12Å
355R98.3Very high97.2Very high151 Ų15165.1 Ų65.157%0.5733%0.333SS*.Hα-helixtrans-67.3-40.7175.2-71167.4175.4172-2.7112.4K351 Q352 H353 Y357 E358 A359K351-R355 WeakPolarHBondContact O-CG 3.37Å; K351-R355 PolarHBondContact O-N 2.89Å; Q352-R355 WeakPolarHBondContact O-CB 3.42Å; Q352-R355 PolarHBondContact O-N 3.38Å; Q352-R355 VanDerWaalsContact O-N 3.14Å; H353-R355 VanDerWaalsContact C-N 3.28Å; H353-R355 PolarHBondContact O-N 3.2Å; R355-Y357 VanDerWaalsContact C-N 3.33Å; R355-E358 PolarHBondContact O-N 3.25Å; R355-A359 PolarHBondContact O-N 2.76Å
356N97.6Very high97.1Very high46 Ų4667.9 Ų67.925%0.24633%0.33CS..Hα-helixtrans-62.4-43.2177.2-64.7-8.2000110.8D334 Q352 H353 A359 A360D334-N356 HydrophobicContact CB-CB 4.23Å; D334-N356 VanDerWaalsContact CG-CB 3.41Å; D334-N356 VanDerWaalsContact OD1-CB 3.28Å; D334-N356 WeakPolarHBondContact OD1-CB 3.33Å; D334-N356 PolarHBondContact OD1-ND2 3.46Å; D334-N356 WeakPolarHBondContact OD2-CB 3.47Å; Q352-N356 PolarHBondContact NE2-OD1 3.43Å; Q352-N356 PolarHBondContact O-N 2.91Å; Q352-N356 PolarHBondContact O-OD1 3.39Å; H353-N356 WeakPolarHBondContact O-CB 3.46Å; H353-N356 PolarHBondContact O-N 2.76Å; H353-N356 VanDerWaalsContact O-N 3.15Å; N356-A359 WeakPolarHBondContact O-CB 3.42Å; N356-A359 PolarHBondContact O-N 3.05Å; N356-A360 WeakPolarHBondContact O-CB 3.17Å; N356-A360 PolarHBondContact O-N 3.01Å
357Y98.4Very high97Very high23 Ų2365.1 Ų65.19%0.0932%0.316CS..Hα-helixtrans-58.3-48.6175.5176.3-114.5000112.1C331 L335 H353 E354 R355 A359 A360 K361 R401C331-Y357 VanDerWaalsContact O-CD2 3.3Å; C331-Y357 WeakPolarHBondContact O-CD2 3.4Å; C331-Y357 WeakPolarHBondContact SG-CD2 3.46Å; C331-Y357 VanDerWaalsContact SG-CE2 3.56Å; L335-Y357 HydrophobicContact CB-CD2 3.76Å; L335-Y357 HydrophobicContact CB-CE2 3.75Å; L335-Y357 HydrophobicContact CB-CG 4.17Å; L335-Y357 HydrophobicContact CD1-CD1 4.3Å; L335-Y357 HydrophobicContact CD1-CE1 4.04Å; L335-Y357 HydrophobicContact CD2-CE2 4.21Å; L335-Y357 HydrophobicContact CG-CE2 4.4Å; H353-Y357 WeakPolarHBondContact O-CB 3.48Å; H353-Y357 PolarHBondContact O-N 3.21Å; E354-Y357 PolarHBondContact O-N 2.87Å; R355-Y357 VanDerWaalsContact C-N 3.33Å; Y357-A359 VanDerWaalsContact C-N 3.29Å; Y357-A359 PolarHBondContact O-N 3.43Å; Y357-A360 PolarHBondContact O-N 3.05Å; Y357-K361 HydrophobicContact CE1-CD 3.89Å; Y357-K361 HydrophobicContact CE1-CG 4.49Å; Y357-K361 HydrophobicContact CE2-CD 4.42Å; Y357-K361 HydrophobicContact CE2-CG 4.28Å; Y357-K361 PolarHBondContact O-N 2.79Å; Y357-R401 PolarHBondContact OH-O 3.49Å
358E98Very high97Very high83 Ų8361.1 Ų61.139%0.38829%0.29SS..Hα-helixtrans-61.8-35.2176-68-57.4140.200112.8E354 R355 K361 K362E354-E358 WeakPolarHBondContact O-CG 3.49Å; E354-E358 PolarHBondContact O-N 3.23Å; E354-E358 VanDerWaalsContact O-N 3.12Å; R355-E358 PolarHBondContact O-N 3.25Å; E358-K361 VanDerWaalsContact OE1-CE 3.29Å; E358-K361 WeakPolarHBondContact OE1-CE 3.37Å; E358-K361 IonicContact OE1-NZ 3.32Å; E358-K361 PolarHBondContact OE1-NZ 2.8Å; E358-K361 WeakPolarHBondContact OE2-CE 3.01Å; E358-K361 IonicContact OE2-NZ 3.82Å; E358-K361 PolarHBondContact OE2-NZ 2.9Å; E358-K362 WeakPolarHBondContact O-CG 3.47Å
359A96.2Very high96.9Very high50 Ų5054.7 Ų54.741%0.41326%0.256SS..Hα-helixtrans-69.7-41.7173.800000111.8R355 N356 Y357 K362 I363R355-A359 PolarHBondContact O-N 2.76Å; N356-A359 WeakPolarHBondContact O-CB 3.42Å; N356-A359 PolarHBondContact O-N 3.05Å; Y357-A359 VanDerWaalsContact C-N 3.29Å; Y357-A359 PolarHBondContact O-N 3.43Å; A359-K362 WeakPolarHBondContact O-CB 3.44Å; A359-K362 PolarHBondContact O-N 3.2Å; A359-I363 WeakPolarHBondContact O-CG1 3.4Å; A359-I363 PolarHBondContact O-N 2.89Å; A359-I363 VanDerWaalsContact O-N 3.1Å
360A97.3Very high96.9Very high19 Ų1953.9 Ų53.916%0.15725%0.251CS..Hα-helixtrans-64.5-40.3179.300000112.2C331 N356 Y357 K362 I363 M364C331-A360 HydrophobicContact CB-CB 3.75Å; C331-A360 VanDerWaalsContact SG-CB 3.56Å; N356-A360 WeakPolarHBondContact O-CB 3.17Å; N356-A360 PolarHBondContact O-N 3.01Å; Y357-A360 PolarHBondContact O-N 3.05Å; A360-K362 VanDerWaalsContact C-N 3.3Å; A360-K362 PolarHBondContact O-N 2.91Å; A360-I363 WeakPolarHBondContact O-CB 3.31Å; A360-I363 PolarHBondContact O-N 2.86Å; A360-I363 VanDerWaalsContact O-N 3.1Å; A360-M364 WeakPolarHBondContact O-CG 3.22Å; A360-M364 PolarHBondContact O-N 3Å
361K97.5Very high96.6Very high15 Ų1557.9 Ų57.97%0.06528%0.276CS..Hα-helixtrans-56.7-43.1172.9-73.5-170.3-67.71680112.5Y357 E358 I363 M364 Y365 F403 D404Y357-K361 HydrophobicContact CE1-CD 3.89Å; Y357-K361 HydrophobicContact CE1-CG 4.49Å; Y357-K361 HydrophobicContact CE2-CD 4.42Å; Y357-K361 HydrophobicContact CE2-CG 4.28Å; Y357-K361 PolarHBondContact O-N 2.79Å; E358-K361 VanDerWaalsContact OE1-CE 3.29Å; E358-K361 WeakPolarHBondContact OE1-CE 3.37Å; E358-K361 IonicContact OE1-NZ 3.32Å; E358-K361 PolarHBondContact OE1-NZ 2.8Å; E358-K361 WeakPolarHBondContact OE2-CE 3.01Å; E358-K361 IonicContact OE2-NZ 3.82Å; E358-K361 PolarHBondContact OE2-NZ 2.9Å; K361-I363 VanDerWaalsContact C-N 3.33Å; K361-I363 PolarHBondContact O-N 3.48Å; K361-M364 WeakPolarHBondContact O-CB 3.49Å; K361-M364 PolarHBondContact O-N 2.84Å; K361-Y365 PolarHBondContact O-N 3.18Å; K361-F403 WeakPolarHBondContact CD-O 3.47Å; K361-D404 WeakPolarHBondContact CE-OD1 3.39Å; K361-D404 IonicContact NZ-OD1 2.7Å; K361-D404 PolarHBondContact NZ-OD1 2.95Å; K361-D404 IonicContact NZ-OD2 2.85Å
362K95.4Very high96.4Very high121 Ų12159.2 Ų59.253%0.52629%0.287SS..Hα-helixtrans-63.1-40.5176.1-67.1172.6-174.6176.80111.6E358 A359 A360 Y365 Q366E358-K362 WeakPolarHBondContact O-CG 3.47Å; A359-K362 WeakPolarHBondContact O-CB 3.44Å; A359-K362 PolarHBondContact O-N 3.2Å; A360-K362 VanDerWaalsContact C-N 3.3Å; A360-K362 PolarHBondContact O-N 2.91Å; K362-Y365 PolarHBondContact O-N 3.42Å; K362-Q366 WeakPolarHBondContact O-CB 3.37Å; K362-Q366 WeakPolarHBondContact O-CG 3.28Å; K362-Q366 PolarHBondContact O-N 3.27Å
363I95Very high96.2Very high44 Ų4457.3 Ų57.323%0.22628%0.28CS..Hα-helixtrans-63.9-45.1175.1-66.8168.8000110.4I253 L255 A359 A360 K361 Y365 Q366 V367 F368I253-I363 HydrophobicContact CG2-CD1 3.96Å; I253-I363 HydrophobicContact CG2-CG1 3.93Å; I253-I363 HydrophobicContact CG2-CG2 3.95Å; L255-I363 HydrophobicContact CD2-CG2 3.66Å; A359-I363 WeakPolarHBondContact O-CG1 3.4Å; A359-I363 PolarHBondContact O-N 2.89Å; A359-I363 VanDerWaalsContact O-N 3.1Å; A360-I363 WeakPolarHBondContact O-CB 3.31Å; A360-I363 PolarHBondContact O-N 2.86Å; A360-I363 VanDerWaalsContact O-N 3.1Å; K361-I363 VanDerWaalsContact C-N 3.33Å; K361-I363 PolarHBondContact O-N 3.48Å; I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 3.01Å; I363-Q366 PolarHBondContact O-N 3.21Å; I363-V367 HydrophobicContact CG2-CG2 4.15Å; I363-V367 VanDerWaalsContact O-CB 3.32Å; I363-V367 WeakPolarHBondContact O-CB 3.44Å; I363-V367 PolarHBondContact O-N 2.82Å; I363-F368 HydrophobicContact CG2-CE2 4.4Å
364M96.7Very high96Very high2 Ų259.6 Ų59.61%0.0129%0.291CS..Iπ-helixtrans-55.6-45.5176.8-71.8-56.6-65.900111.9V324 N327 A328 A360 K361 F368 W369 W376 P397 C402V324-M364 HydrophobicContact CG2-CE 3.69Å; N327-M364 HydrophobicContact CB-SD 3.78Å; A328-M364 HydrophobicContact CB-CE 4.16Å; A360-M364 WeakPolarHBondContact O-CG 3.22Å; A360-M364 PolarHBondContact O-N 3Å; K361-M364 WeakPolarHBondContact O-CB 3.49Å; K361-M364 PolarHBondContact O-N 2.84Å; M364-F368 HydrophobicContact CE-CB 4.34Å; M364-F368 HydrophobicContact CE-CD2 4.33Å; M364-F368 HydrophobicContact CE-CG 4.35Å; M364-F368 WeakPolarHBondContact O-CB 3.25Å; M364-F368 PolarHBondContact O-N 2.96Å; M364-F368 VanDerWaalsContact O-N 3.09Å; M364-F368 HydrophobicContact SD-CD2 3.76Å; M364-F368 HydrophobicContact SD-CE2 4.06Å; M364-F368 HydrophobicContact SD-CG 4.35Å; M364-W369 PolarHBondContact O-N 3.21Å; M364-W376 HydrophobicContact CE-CG 4.47Å; M364-P397 HydrophobicContact CE-CB 4.3Å; M364-P397 HydrophobicContact CE-CG 3.56Å; M364-C402 HydrophobicContact CG-CB 4.33Å; M364-C402 WeakPolarHBondContact CG-SG 3.36Å
365Y94.8Very high96Very high145 Ų14556.4 Ų56.457%0.56928%0.276SS*.Iπ-helixtrans-69.4-43.3177.1-174.6-99.6000113.2K361 K362 I363 W369K361-Y365 PolarHBondContact O-N 3.18Å; K362-Y365 PolarHBondContact O-N 3.42Å; I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 3.01Å; Y365-W369 HydrophobicContact CD2-CB 4.14Å; Y365-W369 AromaticContact CD2-CD1 3.9Å; Y365-W369 AromaticContact CD2-CG 3.97Å; Y365-W369 HydrophobicContact CD2-CG 3.97Å; Y365-W369 AromaticContact CE2-CD1 3.57Å; Y365-W369 HydrophobicContact CE2-CG 4.11Å; Y365-W369 AromaticContact CE2-NE1 3.88Å; Y365-W369 WeakPolarHBondContact O-CB 3.4Å
366Q92.8Very high95.9Very high118 Ų11849.3 Ų49.355%0.55125%0.249SC*.Iπ-helixtrans-70.9-39.2-176.7-73.3173.90.500112.7K362 I363 R386K362-Q366 WeakPolarHBondContact O-CB 3.37Å; K362-Q366 WeakPolarHBondContact O-CG 3.28Å; K362-Q366 PolarHBondContact O-N 3.27Å; I363-Q366 PolarHBondContact O-N 3.21Å; Q366-R386 PolarHBondContact O-NH2 2.63Å
367V94.6Very high96Very high5 Ų547.1 Ų47.13%0.0324%0.238CC..Iπ-helixtrans-98.2-52-168.3177.20000111.2Y245 I253 L255 I363 V379 R386Y245-V367 HydrophobicContact CD1-CG1 4.3Å; Y245-V367 HydrophobicContact CD1-CG2 4.07Å; Y245-V367 HydrophobicContact CE1-CB 4.46Å; Y245-V367 HydrophobicContact CE1-CG1 3.9Å; Y245-V367 HydrophobicContact CE1-CG2 3.88Å; I253-V367 HydrophobicContact CD1-CG2 4.4Å; L255-V367 HydrophobicContact CD1-CG1 3.81Å; L255-V367 HydrophobicContact CD2-CB 4.47Å; L255-V367 HydrophobicContact CD2-CG1 4.07Å; L255-V367 HydrophobicContact CD2-CG2 4.26Å; I363-V367 HydrophobicContact CG2-CG2 4.15Å; I363-V367 VanDerWaalsContact O-CB 3.32Å; I363-V367 WeakPolarHBondContact O-CB 3.44Å; I363-V367 PolarHBondContact O-N 2.82Å; V367-V379 HydrophobicContact CG1-CG2 3.74Å; V367-R386 PolarHBondContact O-NE 3.07Å
368F97Very high95.9Very high0 Ų046.2 Ų46.20%023%0.234CC..Iπ-helixtrans-94.5-33.2-168-59.5-94000112.8L255 A322 V324 N327 I363 M364 D370 W376 Y377 V379L255-F368 HydrophobicContact CD1-CZ 4.34Å; L255-F368 HydrophobicContact CD2-CE2 3.9Å; L255-F368 HydrophobicContact CD2-CZ 4.1Å; A322-F368 HydrophobicContact CB-CE1 4.37Å; A322-F368 HydrophobicContact CB-CZ 4.39Å; A322-F368 WeakPolarHBondContact O-CE1 3.35Å; V324-F368 HydrophobicContact CB-CD1 3.95Å; V324-F368 HydrophobicContact CG2-CB 4.25Å; V324-F368 HydrophobicContact CG2-CD1 4.23Å; V324-F368 HydrophobicContact CG2-CG 4.42Å; N327-F368 HydrophobicContact CB-CE2 3.98Å; N327-F368 HydrophobicContact CB-CZ 3.83Å; N327-F368 VanDerWaalsContact CG-CZ 3.43Å; N327-F368 WeakPolarHBondContact ND2-CZ 3.37Å; I363-F368 HydrophobicContact CG2-CE2 4.4Å; M364-F368 HydrophobicContact CE-CB 4.34Å; M364-F368 HydrophobicContact CE-CD2 4.33Å; M364-F368 HydrophobicContact CE-CG 4.35Å; M364-F368 WeakPolarHBondContact O-CB 3.25Å; M364-F368 PolarHBondContact O-N 2.96Å; M364-F368 VanDerWaalsContact O-N 3.09Å; M364-F368 HydrophobicContact SD-CD2 3.76Å; M364-F368 HydrophobicContact SD-CE2 4.06Å; M364-F368 HydrophobicContact SD-CG 4.35Å; F368-D370 PolarHBondContact O-N 3.31Å; F368-W376 HydrophobicContact CB-CB 4.14Å; F368-W376 CarbonylContact O-C 3.36Å; F368-W376 WeakPolarHBondContact O-CA 3.37Å; F368-Y377 VanDerWaalsContact CD1-O 3.26Å; F368-Y377 WeakPolarHBondContact CD1-O 3.39Å; F368-Y377 PolarHBondContact O-N 2.97Å; F368-V379 HydrophobicContact CD1-CG2 4.18Å; F368-V379 HydrophobicContact CE1-CG2 4.34Å
369W96.6Very high95.9Very high7 Ų742.2 Ų42.23%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-68.2124-179.9-175.5-100.5000112M364 Y365 Q374 W376 R386 F408 V409M364-W369 PolarHBondContact O-N 3.21Å; Y365-W369 HydrophobicContact CD2-CB 4.14Å; Y365-W369 AromaticContact CD2-CD1 3.9Å; Y365-W369 AromaticContact CD2-CG 3.97Å; Y365-W369 HydrophobicContact CD2-CG 3.97Å; Y365-W369 AromaticContact CE2-CD1 3.57Å; Y365-W369 HydrophobicContact CE2-CG 4.11Å; Y365-W369 AromaticContact CE2-NE1 3.88Å; Y365-W369 WeakPolarHBondContact O-CB 3.4Å; W369-Q374 HydrophobicContact CH2-CB 4.24Å; W369-Q374 WeakPolarHBondContact CH2-O 3.45Å; W369-Q374 HydrophobicContact CZ2-CB 3.77Å; W369-Q374 WeakPolarHBondContact CZ3-O 3.27Å; W369-W376 AromaticContact CE3-CD1 3.91Å; W369-W376 AromaticContact CE3-CD2 3.58Å; W369-W376 HydrophobicContact CE3-CD2 3.58Å; W369-W376 AromaticContact CE3-CE2 3.38Å; W369-W376 HydrophobicContact CE3-CE3 4.11Å; W369-W376 AromaticContact CE3-CG 3.93Å; W369-W376 HydrophobicContact CE3-CG 3.93Å; W369-W376 HydrophobicContact CE3-CH2 4.35Å; W369-W376 AromaticContact CE3-CZ2 3.77Å; W369-W376 HydrophobicContact CE3-CZ2 3.77Å; W369-W376 HydrophobicContact CE3-CZ3 4.49Å; W369-W376 AromaticContact CE3-NE1 3.58Å; W369-W376 AromaticContact CZ3-CD2 3.83Å; W369-W376 HydrophobicContact CZ3-CD2 3.83Å; W369-W376 AromaticContact CZ3-CE2 3.68Å; W369-W376 AromaticContact CZ3-CE3 3.89Å; W369-W376 HydrophobicContact CZ3-CE3 3.89Å; W369-W376 AromaticContact CZ3-CH2 3.79Å; W369-W376 HydrophobicContact CZ3-CH2 3.79Å; W369-W376 AromaticContact CZ3-CZ2 3.63Å; W369-W376 HydrophobicContact CZ3-CZ2 3.63Å; W369-W376 AromaticContact CZ3-CZ3 3.89Å; W369-W376 HydrophobicContact CZ3-CZ3 3.89Å; W369-R386 PolarHBondContact O-NE 2.75Å; W369-R386 VanDerWaalsContact O-NE 3.16Å; W369-R386 PolarHBondContact O-NH1 3.38Å; W369-R386 PolarHBondContact O-NH2 3.45Å; W369-R386 VanDerWaalsContact O-NH2 3.15Å; W369-F408 AromaticContact CZ2-CE1 3.84Å; W369-F408 HydrophobicContact CZ2-CE1 3.84Å; W369-F408 HydrophobicContact CZ2-CZ 4.4Å; W369-V409 HydrophobicContact CH2-CG2 4.37Å
370D96.3Very high95.8Very high26 Ų2641.3 Ų41.314%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-92.5122.9171.2-169.5-95000110.9F368 I372 D373 Q374 I375 Y377 R386F368-D370 PolarHBondContact O-N 3.31Å; D370-I372 VanDerWaalsContact C-N 3.28Å; D370-I372 PolarHBondContact O-N 2.88Å; D370-I372 WeakPolarHBondContact OD1-CA 3.45Å; D370-I372 WeakPolarHBondContact OD1-CB 3.45Å; D370-I372 PolarHBondContact OD1-N 2.96Å; D370-D373 HydrophobicContact CB-CB 4.48Å; D370-D373 PolarHBondContact OD1-N 2.87Å; D370-Q374 WeakPolarHBondContact O-CA 3.41Å; D370-Q374 PolarHBondContact O-N 3.48Å; D370-I375 PolarHBondContact N-O 3.04Å; D370-Y377 HydrophobicContact CB-CD2 3.78Å; D370-Y377 HydrophobicContact CB-CE2 3.96Å; D370-R386 IonicContact OD2-NH1 3.02Å; D370-R386 PolarHBondContact OD2-NH1 3.31Å
371P92.5Very high95.6Very high83 Ų8342.2 Ų42.254%0.53921%0.206SC..THydrogen-bonded Turntrans-75.3-14.7-176.230.7-35.7000113.8
372I93.5Very high95.3Very high144 Ų14445.8 Ų45.874%0.73823%0.226SC*.THydrogen-bonded Turntrans-87.7-55.7180-60.9173000109.2D370 Q374D370-I372 VanDerWaalsContact C-N 3.28Å; D370-I372 PolarHBondContact O-N 2.88Å; D370-I372 WeakPolarHBondContact OD1-CA 3.45Å; D370-I372 WeakPolarHBondContact OD1-CB 3.45Å; D370-I372 PolarHBondContact OD1-N 2.96Å; I372-Q374 VanDerWaalsContact C-N 3.27Å; I372-Q374 PolarHBondContact O-N 2.82Å
373D94.1Very high95.1Very high49 Ų4943.3 Ų43.326%0.26222%0.224SC..THydrogen-bonded Turntrans-79.4-13.9-179.6-72.7-4.6000112.4D370 I375 Y377 Y416D370-D373 HydrophobicContact CB-CB 4.48Å; D370-D373 PolarHBondContact OD1-N 2.87Å; D373-I375 VanDerWaalsContact C-N 3.32Å; D373-I375 HydrophobicContact CB-CG2 3.99Å; D373-I375 PolarHBondContact O-N 3.31Å; D373-Y377 HydrophobicContact CB-CE2 3.91Å; D373-Y377 VanDerWaalsContact OD2-CE2 3.29Å; D373-Y377 WeakPolarHBondContact OD2-CE2 3.4Å; D373-Y377 VanDerWaalsContact OD2-CZ 3.32Å; D373-Y377 PolarHBondContact OD2-OH 3.08Å; D373-Y416 HydrophobicContact CB-CD2 4.41Å; D373-Y416 HydrophobicContact CB-CE2 4.25Å; D373-Y416 WeakPolarHBondContact O-CD2 3.48Å
374Q95.3Very high94.9Very high53 Ų5342.7 Ų42.725%0.24823%0.228CC..THydrogen-bonded Turntrans53.647.1179.7-51.8-178.5-13.600112.7W369 D370 I372 S412W369-Q374 HydrophobicContact CH2-CB 4.24Å; W369-Q374 WeakPolarHBondContact CH2-O 3.45Å; W369-Q374 HydrophobicContact CZ2-CB 3.77Å; W369-Q374 WeakPolarHBondContact CZ3-O 3.27Å; D370-Q374 WeakPolarHBondContact O-CA 3.41Å; D370-Q374 PolarHBondContact O-N 3.48Å; I372-Q374 VanDerWaalsContact C-N 3.27Å; I372-Q374 PolarHBondContact O-N 2.82Å; Q374-S412 PolarHBondContact OE1-OG 2.99Å; Q374-S412 VanDerWaalsContact OE1-OG 3.11Å
375I97.1Very high94.6Very high0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-146.3162.2179.7-161.263.2000109.9D370 D373 Y377 N394 L395 V413 Y416D370-I375 PolarHBondContact N-O 3.04Å; D373-I375 VanDerWaalsContact C-N 3.32Å; D373-I375 HydrophobicContact CB-CG2 3.99Å; D373-I375 PolarHBondContact O-N 3.31Å; I375-Y377 HydrophobicContact CG2-CD1 4.18Å; I375-Y377 HydrophobicContact CG2-CD2 4.18Å; I375-Y377 HydrophobicContact CG2-CE1 3.63Å; I375-Y377 HydrophobicContact CG2-CE2 3.64Å; I375-Y377 HydrophobicContact CG2-CG 4.42Å; I375-N394 HydrophobicContact CG1-CB 4.01Å; I375-L395 HydrophobicContact CD1-CD2 3.9Å; I375-V413 HydrophobicContact CD1-CG1 4.39Å; I375-V413 HydrophobicContact CD1-CG2 3.83Å; I375-Y416 HydrophobicContact CB-CD1 4.24Å; I375-Y416 HydrophobicContact CB-CD2 3.98Å; I375-Y416 HydrophobicContact CB-CE1 4.32Å; I375-Y416 HydrophobicContact CB-CE2 4.07Å; I375-Y416 HydrophobicContact CB-CG 4.06Å; I375-Y416 HydrophobicContact CD1-CD1 3.91Å; I375-Y416 HydrophobicContact CD1-CE1 4.31Å; I375-Y416 HydrophobicContact CD1-CG 4.29Å; I375-Y416 HydrophobicContact CG1-CD1 3.81Å; I375-Y416 HydrophobicContact CG1-CD2 4.44Å; I375-Y416 HydrophobicContact CG1-CE1 3.79Å; I375-Y416 HydrophobicContact CG1-CE2 4.42Å; I375-Y416 HydrophobicContact CG1-CG 4.14Å; I375-Y416 HydrophobicContact CG2-CD2 3.97Å; I375-Y416 HydrophobicContact CG2-CE1 4.36Å; I375-Y416 HydrophobicContact CG2-CE2 3.6Å; I375-Y416 HydrophobicContact CG2-CG 4.49Å
376W98Very high94.6Very high3 Ų345.4 Ų45.41%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-88.7128.6172.8-55.2-92.8000112.4V324 M364 F368 W369 N394 P397 L398 F403 V409 V413V324-W376 HydrophobicContact CG2-CB 3.44Å; V324-W376 VanDerWaalsContact CG2-CB 3.44Å; V324-W376 HydrophobicContact CG2-CG 4.26Å; M364-W376 HydrophobicContact CE-CG 4.47Å; F368-W376 HydrophobicContact CB-CB 4.14Å; F368-W376 CarbonylContact O-C 3.36Å; F368-W376 WeakPolarHBondContact O-CA 3.37Å; W369-W376 AromaticContact CE3-CD1 3.91Å; W369-W376 AromaticContact CE3-CD2 3.58Å; W369-W376 HydrophobicContact CE3-CD2 3.58Å; W369-W376 AromaticContact CE3-CE2 3.38Å; W369-W376 HydrophobicContact CE3-CE3 4.11Å; W369-W376 AromaticContact CE3-CG 3.93Å; W369-W376 HydrophobicContact CE3-CG 3.93Å; W369-W376 HydrophobicContact CE3-CH2 4.35Å; W369-W376 AromaticContact CE3-CZ2 3.77Å; W369-W376 HydrophobicContact CE3-CZ2 3.77Å; W369-W376 HydrophobicContact CE3-CZ3 4.49Å; W369-W376 AromaticContact CE3-NE1 3.58Å; W369-W376 AromaticContact CZ3-CD2 3.83Å; W369-W376 HydrophobicContact CZ3-CD2 3.83Å; W369-W376 AromaticContact CZ3-CE2 3.68Å; W369-W376 AromaticContact CZ3-CE3 3.89Å; W369-W376 HydrophobicContact CZ3-CE3 3.89Å; W369-W376 AromaticContact CZ3-CH2 3.79Å; W369-W376 HydrophobicContact CZ3-CH2 3.79Å; W369-W376 AromaticContact CZ3-CZ2 3.63Å; W369-W376 HydrophobicContact CZ3-CZ2 3.63Å; W369-W376 AromaticContact CZ3-CZ3 3.89Å; W369-W376 HydrophobicContact CZ3-CZ3 3.89Å; W376-N394 WeakPolarHBondContact O-CA 3.35Å; W376-N394 WeakPolarHBondContact O-CB 3.46Å; W376-N394 VanDerWaalsContact O-CG 3.25Å; W376-N394 PolarHBondContact O-ND2 3.08Å; W376-P397 HydrophobicContact CB-CG 4.25Å; W376-P397 HydrophobicContact CD2-CB 3.79Å; W376-P397 HydrophobicContact CD2-CG 3.59Å; W376-P397 HydrophobicContact CE3-CB 3.87Å; W376-P397 HydrophobicContact CE3-CG 3.78Å; W376-P397 HydrophobicContact CG-CB 4.45Å; W376-P397 HydrophobicContact CG-CG 3.83Å; W376-P397 HydrophobicContact CH2-CB 3.84Å; W376-P397 HydrophobicContact CZ2-CB 3.84Å; W376-P397 HydrophobicContact CZ3-CB 3.89Å; W376-P397 HydrophobicContact CZ3-CG 4.29Å; W376-L398 HydrophobicContact CH2-CD2 4.37Å; W376-L398 HydrophobicContact CZ3-CD2 4.49Å; W376-L398 HydrophobicContact CZ3-CG 4.46Å; W376-F403 HydrophobicContact CH2-CB 4.31Å; W376-F403 HydrophobicContact CH2-CD1 4.19Å; W376-F403 HydrophobicContact CH2-CG 4.27Å; W376-F403 HydrophobicContact CZ2-CB 3.69Å; W376-F403 HydrophobicContact CZ2-CD1 4.31Å; W376-F403 HydrophobicContact CZ2-CG 4.14Å; W376-V409 HydrophobicContact CH2-CG1 3.31Å; W376-V409 HydrophobicContact CZ2-CG1 3.92Å; W376-V409 HydrophobicContact CZ3-CG1 4.24Å; W376-V413 HydrophobicContact CZ3-CG2 3.92Å
377Y98.1Very high94.7Very high0 Ų040.4 Ų40.40%022%0.221CC..  trans-112.6151.2174.3-71.4-50.1000111.8F368 D370 D373 I375 R386 V387 P388 Y416F368-Y377 VanDerWaalsContact CD1-O 3.26Å; F368-Y377 WeakPolarHBondContact CD1-O 3.39Å; F368-Y377 PolarHBondContact O-N 2.97Å; D370-Y377 HydrophobicContact CB-CD2 3.78Å; D370-Y377 HydrophobicContact CB-CE2 3.96Å; D373-Y377 HydrophobicContact CB-CE2 3.91Å; D373-Y377 VanDerWaalsContact OD2-CE2 3.29Å; D373-Y377 WeakPolarHBondContact OD2-CE2 3.4Å; D373-Y377 VanDerWaalsContact OD2-CZ 3.32Å; D373-Y377 PolarHBondContact OD2-OH 3.08Å; I375-Y377 HydrophobicContact CG2-CD1 4.18Å; I375-Y377 HydrophobicContact CG2-CD2 4.18Å; I375-Y377 HydrophobicContact CG2-CE1 3.63Å; I375-Y377 HydrophobicContact CG2-CE2 3.64Å; I375-Y377 HydrophobicContact CG2-CG 4.42Å; Y377-R386 HydrophobicContact CD2-CB 4.35Å; Y377-V387 WeakPolarHBondContact CD1-O 3.29Å; Y377-P388 HydrophobicContact CD2-CB 4.38Å; Y377-P388 HydrophobicContact CE2-CB 3.97Å; Y377-Y416 WeakPolarHBondContact OH-CE2 3.25Å; Y377-Y416 PolarHBondContact OH-OH 2.81Å; Y377-Y416 VanDerWaalsContact OH-OH 3.13Å
378D98Very high94.7Very high3 Ų344.3 Ų44.32%0.01625%0.247CC..  trans-57.5154.6164.1-61.3-37.1000110.5R301 I321 P323 V324 R386 V387R301-D378 WeakPolarHBondContact CG-OD2 3.39Å; R301-D378 IonicContact CZ-OD1 3.94Å; R301-D378 IonicContact CZ-OD2 3.08Å; R301-D378 IonicContact NE-OD1 3.79Å; R301-D378 IonicContact NE-OD2 3.32Å; R301-D378 PolarHBondContact NE-OD2 3.03Å; R301-D378 IonicContact NH2-OD1 2.87Å; R301-D378 PolarHBondContact NH2-OD1 2.9Å; R301-D378 IonicContact NH2-OD2 3.76Å; R301-D378 PolarHBondContact NH2-OD2 3.14Å; I321-D378 HydrophobicContact CG2-CB 3.76Å; P323-D378 VanDerWaalsContact CA-OD1 3.23Å; P323-D378 WeakPolarHBondContact CA-OD1 3.48Å; V324-D378 WeakPolarHBondContact CG1-OD1 3.38Å; V324-D378 PolarHBondContact N-OD1 2.88Å; D378-R386 CarbonylContact O-C 3.54Å; D378-R386 WeakPolarHBondContact O-CA 3.33Å; D378-V387 HydrophobicContact CB-CB 4.45Å; D378-V387 PolarHBondContact O-N 2.97Å
379V96.5Very high94.6Very high0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-112.2126.1177.4176.60000110.2Y245 I321 A322 V367 F368 L381 R386Y245-V379 HydrophobicContact CE2-CG1 3.73Å; I321-V379 WeakPolarHBondContact CA-O 3.31Å; A322-V379 HydrophobicContact CB-CB 4.39Å; A322-V379 PolarHBondContact N-O 2.86Å; A322-V379 PolarHBondContact O-N 2.69Å; V367-V379 HydrophobicContact CG1-CG2 3.74Å; F368-V379 HydrophobicContact CD1-CG2 4.18Å; F368-V379 HydrophobicContact CE1-CG2 4.34Å; V379-L381 PolarHBondContact O-N 3.05Å; V379-R386 HydrophobicContact CG2-CG 4.22Å
380D94.7Very high94.6Very high30 Ų3045 Ų4516%0.1625%0.252CS..EExtended strand (participates in β ladder)trans-77.1115.4170.3-178.5-66.5000108.8R317 D382 S383 G384 M385 V387R317-D380 IonicContact CZ-OD2 3.79Å; R317-D380 IonicContact NE-OD2 3.81Å; R317-D380 VanDerWaalsContact NH2-CG 3.29Å; R317-D380 IonicContact NH2-OD1 2.91Å; R317-D380 PolarHBondContact NH2-OD1 3.23Å; R317-D380 IonicContact NH2-OD2 2.6Å; R317-D380 PolarHBondContact NH2-OD2 3.3Å; D380-D382 VanDerWaalsContact C-N 3.29Å; D380-D382 PolarHBondContact O-N 3.31Å; D380-D382 PolarHBondContact OD1-N 3.38Å; D380-S383 WeakPolarHBondContact CB-OG 3.47Å; D380-S383 PolarHBondContact OD1-N 2.94Å; D380-S383 PolarHBondContact OD1-OG 3.07Å; D380-S383 VanDerWaalsContact OD1-OG 3.14Å; D380-G384 VanDerWaalsContact O-CA 3.25Å; D380-G384 WeakPolarHBondContact O-CA 3.42Å; D380-G384 PolarHBondContact O-N 3.47Å; D380-M385 PolarHBondContact N-O 2.9Å; D380-V387 HydrophobicContact CB-CG2 4.01Å
381L93.7Very high94.6Very high39 Ų3943.8 Ų43.820%0.20425%0.246CC..THydrogen-bonded Turntrans-72.4-20.4-172.9-67.6172.3000113.5V243 Y245 L255 R320 A322 V379V243-L381 HydrophobicContact CG1-CD1 4.01Å; V243-L381 HydrophobicContact CG1-CD2 4.21Å; Y245-L381 HydrophobicContact CD2-CD2 4.22Å; L255-L381 HydrophobicContact CD1-CD2 4.48Å; R320-L381 WeakPolarHBondContact O-CB 3.22Å; R320-L381 PolarHBondContact O-N 3.07Å; A322-L381 HydrophobicContact CB-CD1 4.49Å; A322-L381 HydrophobicContact CB-CD2 3.88Å; A322-L381 HydrophobicContact CB-CG 4.22Å; V379-L381 PolarHBondContact O-N 3.05Å
382D90.9Very high94.8Very high90 Ų9040 Ų4048%0.48122%0.222SC..THydrogen-bonded Turntrans-79.5-41.1178.6-66-26.7000110.7R317 R320 D380R317-D382 IonicContact CZ-OD2 3.62Å; R317-D382 IonicContact NH1-OD2 3.54Å; R317-D382 PolarHBondContact NH1-OD2 3.4Å; R317-D382 IonicContact NH2-OD2 2.81Å; R317-D382 PolarHBondContact NH2-OD2 3.5Å; R320-D382 IonicContact NH1-OD1 3.95Å; D380-D382 VanDerWaalsContact C-N 3.29Å; D380-D382 PolarHBondContact O-N 3.31Å; D380-D382 PolarHBondContact OD1-N 3.38Å
383S91.1Very high95Very high69 Ų6933.1 Ų33.148%0.48319%0.186SC..THydrogen-bonded Turntrans-89.4-20.7178.762.60000113.8D380 M385D380-S383 WeakPolarHBondContact CB-OG 3.47Å; D380-S383 PolarHBondContact OD1-N 2.94Å; D380-S383 PolarHBondContact OD1-OG 3.07Å; D380-S383 VanDerWaalsContact OD1-OG 3.14Å; S383-M385 PolarHBondContact O-N 2.83Å; S383-M385 PolarHBondContact OG-N 3.41Å
384G89.7Confident95.2Very high30 Ų3030.8 Ų30.831%0.30917%0.174SC..  trans70.43.7-169.500000114Y245 D380Y245-G384 PolarHBondContact OH-O 3.47Å; D380-G384 VanDerWaalsContact O-CA 3.25Å; D380-G384 WeakPolarHBondContact O-CA 3.42Å; D380-G384 PolarHBondContact O-N 3.47Å
385M91.6Very high95.3Very high128 Ų12828.3 Ų28.363%0.63116%0.162SC*.  trans-92.6150.2-176.3-67.8-176.255.200112D380 S383D380-M385 PolarHBondContact N-O 2.9Å; S383-M385 PolarHBondContact O-N 2.83Å; S383-M385 PolarHBondContact OG-N 3.41Å
386R94.9Very high95.3Very high76 Ų7628.3 Ų28.329%0.28716%0.162SC..BIsolated β-bridgetrans-64.8150.7167.6-69.4174.8-158.7120.23.1110.5Q366 V367 W369 D370 Y377 D378 V379 P388Q366-R386 PolarHBondContact O-NH2 2.63Å; V367-R386 PolarHBondContact O-NE 3.07Å; W369-R386 PolarHBondContact O-NE 2.75Å; W369-R386 VanDerWaalsContact O-NE 3.16Å; W369-R386 PolarHBondContact O-NH1 3.38Å; W369-R386 PolarHBondContact O-NH2 3.45Å; W369-R386 VanDerWaalsContact O-NH2 3.15Å; D370-R386 IonicContact OD2-NH1 3.02Å; D370-R386 PolarHBondContact OD2-NH1 3.31Å; Y377-R386 HydrophobicContact CD2-CB 4.35Å; D378-R386 CarbonylContact O-C 3.54Å; D378-R386 WeakPolarHBondContact O-CA 3.33Å; V379-R386 HydrophobicContact CG2-CG 4.22Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å
387V94.5Very high95.3Very high14 Ų1428.2 Ų28.29%0.08516%0.162CC..  trans-100.495.7178.3-178.50000109Y377 D378 D380 A389Y377-V387 WeakPolarHBondContact CD1-O 3.29Å; D378-V387 HydrophobicContact CB-CB 4.45Å; D378-V387 PolarHBondContact O-N 2.97Å; D380-V387 HydrophobicContact CB-CG2 4.01Å; V387-A389 VanDerWaalsContact C-N 3.27Å; V387-A389 PolarHBondContact O-N 2.88Å
388P94.7Very high95.2Very high87 Ų8728.2 Ų28.257%0.56516%0.162SC*.  trans-79.872-170.734.2-37.9000111.5Y377 R386Y377-P388 HydrophobicContact CD2-CB 4.38Å; Y377-P388 HydrophobicContact CE2-CB 3.97Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å
389A94.2Very high95.1Very high13 Ų1328.4 Ų28.411%0.10716%0.163CC..  trans-138.9141.7177.400000110.1V387 Y391 N394V387-A389 VanDerWaalsContact C-N 3.27Å; V387-A389 PolarHBondContact O-N 2.88Å; A389-Y391 HydrophobicContact CB-CD2 4.36Å; A389-Y391 HydrophobicContact CB-CE2 3.69Å; A389-Y391 WeakPolarHBondContact O-CD2 3.09Å; A389-Y391 PolarHBondContact O-N 3.23Å; A389-N394 PolarHBondContact O-OD1 3.05Å; A389-N394 VanDerWaalsContact O-OD1 3.11Å
390Y96.6Very high95.2Very high8 Ų828.9 Ų28.93%0.03117%0.166CC..  trans-69.8122.5176.9176.9-87.5000110.5Y416 L417 K420 V422 P430 L433Y390-Y416 AromaticContact CD2-CE1 3.81Å; Y390-Y416 HydrophobicContact CD2-CE1 3.81Å; Y390-Y416 HydrophobicContact CE2-CE1 4.37Å; Y390-L417 HydrophobicContact CE2-CD2 4.2Å; Y390-K420 HydrophobicContact CD2-CB 4.42Å; Y390-K420 HydrophobicContact CD2-CG 4.31Å; Y390-V422 HydrophobicContact CD1-CG1 4.33Å; Y390-V422 HydrophobicContact CD2-CG1 4.29Å; Y390-V422 HydrophobicContact CE1-CG1 3.92Å; Y390-V422 HydrophobicContact CE2-CB 4.38Å; Y390-V422 HydrophobicContact CE2-CG1 3.89Å; Y390-V422 HydrophobicContact CE2-CG2 3.89Å; Y390-P430 HydrophobicContact CE1-CG 4.35Å; Y390-L433 HydrophobicContact CD1-CD1 4.29Å; Y390-L433 HydrophobicContact CD1-CG 3.73Å; Y390-L433 HydrophobicContact CG-CD1 4.06Å; Y390-L433 HydrophobicContact CG-CG 4.01Å
391Y97.5Very high95.2Very high1 Ų129.6 Ų29.60%0.00417%0.166CC..BIsolated β-bridgetrans-134145162.8-64.1-74.6000108.3W296 S300 R301 R305 A389 S393 N394 T431W296-Y391 HydrophobicContact CZ3-CD1 4.17Å; S300-Y391 VanDerWaalsContact C-OH 3.3Å; S300-Y391 PolarHBondContact O-OH 2.91Å; S300-Y391 WeakPolarHBondContact OG-CE1 3.46Å; S300-Y391 PolarHBondContact OG-OH 3.26Å; R301-Y391 WeakPolarHBondContact CA-OH 3.47Å; R301-Y391 HydrophobicContact CB-CD1 3.89Å; R301-Y391 HydrophobicContact CB-CD2 4.42Å; R301-Y391 HydrophobicContact CB-CE1 3.56Å; R301-Y391 HydrophobicContact CB-CE2 4.1Å; R301-Y391 HydrophobicContact CB-CG 4.33Å; R301-Y391 HydrophobicContact CG-CD1 4.14Å; R301-Y391 HydrophobicContact CG-CD2 3.96Å; R301-Y391 HydrophobicContact CG-CE1 4.15Å; R301-Y391 HydrophobicContact CG-CE2 3.94Å; R301-Y391 HydrophobicContact CG-CG 4.07Å; R301-Y391 PolarHBondContact N-OH 3.23Å; R305-Y391 PolarHBondContact NH2-OH 3.43Å; A389-Y391 HydrophobicContact CB-CD2 4.36Å; A389-Y391 HydrophobicContact CB-CE2 3.69Å; A389-Y391 WeakPolarHBondContact O-CD2 3.09Å; A389-Y391 PolarHBondContact O-N 3.23Å; Y391-S393 VanDerWaalsContact CB-OG 3.28Å; Y391-S393 WeakPolarHBondContact CB-OG 3.47Å; Y391-S393 PolarHBondContact O-N 3.02Å; Y391-N394 PolarHBondContact N-OD1 2.58Å; Y391-N394 VanDerWaalsContact O-CB 3.3Å; Y391-N394 WeakPolarHBondContact O-CB 3.4Å; Y391-N394 PolarHBondContact O-N 3.21Å; Y391-N394 PolarHBondContact O-OD1 3.23Å; Y391-T431 WeakPolarHBondContact CA-O 3.39Å
392G96.2Very high95.4Very high3 Ų327.7 Ų27.73%0.03116%0.156CC..G310 helixtrans-54.8-25.4173.800000113N394 L395 T431G392-N394 PolarHBondContact O-N 2.92Å; G392-L395 PolarHBondContact O-N 3.5Å; G392-T431 PolarHBondContact N-O 3.4Å
393S97.5Very high95.6Very high0 Ų024.2 Ų24.20%014%0.137CC..G310 helixtrans-60.2-28.1174.758.50000113.9R301 V324 Y391 L395 I396R301-S393 VanDerWaalsContact CZ-CB 3.45Å; R301-S393 PolarHBondContact NE-OG 3.49Å; R301-S393 PolarHBondContact NH2-OG 2.92Å; V324-S393 VanDerWaalsContact CG1-O 3.29Å; V324-S393 WeakPolarHBondContact CG1-O 3.09Å; Y391-S393 VanDerWaalsContact CB-OG 3.28Å; Y391-S393 WeakPolarHBondContact CB-OG 3.47Å; Y391-S393 PolarHBondContact O-N 3.02Å; S393-L395 PolarHBondContact O-N 2.95Å; S393-I396 WeakPolarHBondContact O-CB 3.17Å; S393-I396 VanDerWaalsContact O-CG1 3.31Å; S393-I396 WeakPolarHBondContact O-CG1 3.5Å; S393-I396 PolarHBondContact O-N 3.09Å; S393-I396 VanDerWaalsContact O-N 3.11Å
394N97.8Very high95.6Very high0 Ų025 Ų250%014%0.136CC..G310 helixtrans-57.9-22.4178.7-59.9141.2000112.8I375 W376 A389 Y391 G392I375-N394 HydrophobicContact CG1-CB 4.01Å; W376-N394 WeakPolarHBondContact O-CA 3.35Å; W376-N394 WeakPolarHBondContact O-CB 3.46Å; W376-N394 VanDerWaalsContact O-CG 3.25Å; W376-N394 PolarHBondContact O-ND2 3.08Å; A389-N394 PolarHBondContact O-OD1 3.05Å; A389-N394 VanDerWaalsContact O-OD1 3.11Å; Y391-N394 PolarHBondContact N-OD1 2.58Å; Y391-N394 VanDerWaalsContact O-CB 3.3Å; Y391-N394 WeakPolarHBondContact O-CB 3.4Å; Y391-N394 PolarHBondContact O-N 3.21Å; Y391-N394 PolarHBondContact O-OD1 3.23Å; G392-N394 PolarHBondContact O-N 2.92Å
395L97.2Very high95.4Very high0 Ų028.5 Ų28.50%015%0.147CC..G310 helixtrans-98.4-7.2-174.1-58.1163.2000112.8I375 G392 S393 P397 L398 V413 L417 L429 V453I375-L395 HydrophobicContact CD1-CD2 3.9Å; G392-L395 PolarHBondContact O-N 3.5Å; S393-L395 PolarHBondContact O-N 2.95Å; L395-P397 VanDerWaalsContact C-N 3.3Å; L395-L398 WeakPolarHBondContact O-CB 3.25Å; L395-L398 PolarHBondContact O-N 3.06Å; L395-V413 HydrophobicContact CD2-CG1 3.41Å; L395-V413 VanDerWaalsContact CD2-CG1 3.41Å; L395-L417 HydrophobicContact CD1-CD2 3.7Å; L395-L417 HydrophobicContact CD2-CD1 4.39Å; L395-L417 HydrophobicContact CD2-CD2 3.9Å; L395-L417 HydrophobicContact CD2-CG 4.3Å; L395-L417 HydrophobicContact CG-CD2 4.4Å; L395-L429 HydrophobicContact CD1-CD1 4.47Å; L395-V453 HydrophobicContact CB-CG2 3.72Å; L395-V453 HydrophobicContact CD1-CG1 3.98Å; L395-V453 HydrophobicContact CD1-CG2 3.68Å; L395-V453 HydrophobicContact CG-CG2 4.36Å
396I97.9Very high95Very high1 Ų124.3 Ų24.31%0.00513%0.126CC..Hα-helixtrans-60.7-28.2-178.7-58.5-54.9000114.1D325 A328 F329 S393 L398 F399 T400 L449 M452D325-I396 HydrophobicContact CB-CB 4.1Å; D325-I396 HydrophobicContact CB-CG1 3.97Å; D325-I396 HydrophobicContact CB-CG2 4.14Å; A328-I396 HydrophobicContact CB-CG2 4.05Å; F329-I396 HydrophobicContact CD1-CG2 4.04Å; F329-I396 HydrophobicContact CE1-CG2 3.51Å; F329-I396 HydrophobicContact CZ-CG2 3.8Å; S393-I396 WeakPolarHBondContact O-CB 3.17Å; S393-I396 VanDerWaalsContact O-CG1 3.31Å; S393-I396 WeakPolarHBondContact O-CG1 3.5Å; S393-I396 PolarHBondContact O-N 3.09Å; S393-I396 VanDerWaalsContact O-N 3.11Å; I396-L398 PolarHBondContact O-N 2.78Å; I396-L398 VanDerWaalsContact O-N 3.16Å; I396-F399 HydrophobicContact CG2-CD1 4.48Å; I396-F399 WeakPolarHBondContact O-CB 3.35Å; I396-F399 PolarHBondContact O-N 2.9Å; I396-T400 HydrophobicContact CG2-CG2 4.18Å; I396-T400 PolarHBondContact O-N 2.57Å; I396-T400 VanDerWaalsContact O-N 3.08Å; I396-L449 HydrophobicContact CD1-CD2 4.46Å; I396-M452 HydrophobicContact CD1-CB 3.64Å; I396-M452 HydrophobicContact CD1-CE 3.63Å; I396-M452 HydrophobicContact CD1-CG 4.26Å; I396-M452 HydrophobicContact CD1-SD 3.67Å
397P98Very high94.7Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-56-28.4169.2-2838.2000113.6V324 A328 M364 W376 L395 R401 C402 F403V324-P397 HydrophobicContact CG2-CG 3.92Å; A328-P397 HydrophobicContact CB-CG 4.04Å; M364-P397 HydrophobicContact CE-CB 4.3Å; M364-P397 HydrophobicContact CE-CG 3.56Å; W376-P397 HydrophobicContact CB-CG 4.25Å; W376-P397 HydrophobicContact CD2-CB 3.79Å; W376-P397 HydrophobicContact CD2-CG 3.59Å; W376-P397 HydrophobicContact CE3-CB 3.87Å; W376-P397 HydrophobicContact CE3-CG 3.78Å; W376-P397 HydrophobicContact CG-CB 4.45Å; W376-P397 HydrophobicContact CG-CG 3.83Å; W376-P397 HydrophobicContact CH2-CB 3.84Å; W376-P397 HydrophobicContact CZ2-CB 3.84Å; W376-P397 HydrophobicContact CZ3-CB 3.89Å; W376-P397 HydrophobicContact CZ3-CG 4.29Å; L395-P397 VanDerWaalsContact C-N 3.3Å; P397-R401 CarbonylContact O-C 3.38Å; P397-R401 WeakPolarHBondContact O-CA 3.42Å; P397-R401 PolarHBondContact O-N 2.76Å; P397-C402 PolarHBondContact O-N 2.88Å; P397-C402 VanDerWaalsContact O-N 3.14Å; P397-F403 VanDerWaalsContact O-CD1 3.31Å; P397-F403 WeakPolarHBondContact O-CD1 3.47Å; P397-F403 VanDerWaalsContact O-CE1 3.29Å; P397-F403 WeakPolarHBondContact O-CE1 3.13Å
398L96.3Very high94.6Very high1 Ų128.1 Ų28.11%0.00515%0.153CC..Hα-helixtrans-63.8-44.2171.1-64.3-179.7000112.1W376 L395 I396 R401 F403 V409 V413 G456 L457W376-L398 HydrophobicContact CH2-CD2 4.37Å; W376-L398 HydrophobicContact CZ3-CD2 4.49Å; W376-L398 HydrophobicContact CZ3-CG 4.46Å; L395-L398 WeakPolarHBondContact O-CB 3.25Å; L395-L398 PolarHBondContact O-N 3.06Å; I396-L398 PolarHBondContact O-N 2.78Å; I396-L398 VanDerWaalsContact O-N 3.16Å; L398-R401 VanDerWaalsContact O-CD 3.22Å; L398-R401 WeakPolarHBondContact O-CD 3.3Å; L398-R401 PolarHBondContact O-N 3.09Å; L398-F403 HydrophobicContact CD2-CE1 3.92Å; L398-F403 HydrophobicContact CD2-CZ 3.92Å; L398-V409 HydrophobicContact CD2-CG1 4.19Å; L398-V413 HydrophobicContact CD1-CB 4.39Å; L398-V413 HydrophobicContact CD1-CG1 3.8Å; L398-V413 HydrophobicContact CD1-CG2 4.36Å; L398-V413 HydrophobicContact CD2-CG2 4.41Å; L398-G456 WeakPolarHBondContact O-CA 3.16Å; L398-L457 HydrophobicContact CD1-CD2 3.66Å; L398-L457 HydrophobicContact CD1-CG 4.26Å
399F96.7Very high94.6Very high7 Ų724.4 Ų24.43%0.03113%0.129CC..Hα-helixtrans-62.7-46.3178.6170.6-113.6000111.9Y157 L205 F329 I396 R401 M452 E455 R459Y157-F399 HydrophobicContact CE1-CE2 4.38Å; Y157-F399 AromaticContact CE1-CZ 3.87Å; Y157-F399 HydrophobicContact CE1-CZ 3.87Å; L205-F399 HydrophobicContact CD2-CE1 4.24Å; F329-F399 HydrophobicContact CE1-CD1 4.14Å; F329-F399 HydrophobicContact CE1-CE1 4.17Å; I396-F399 HydrophobicContact CG2-CD1 4.48Å; I396-F399 WeakPolarHBondContact O-CB 3.35Å; I396-F399 PolarHBondContact O-N 2.9Å; F399-R401 VanDerWaalsContact C-N 3.32Å; F399-M452 HydrophobicContact CB-CB 4.05Å; F399-M452 WeakPolarHBondContact CB-O 3.42Å; F399-M452 HydrophobicContact CD1-CB 4.37Å; F399-M452 HydrophobicContact CD1-CG 3.94Å; F399-M452 HydrophobicContact CD1-SD 3.99Å; F399-M452 HydrophobicContact CD2-CB 4.17Å; F399-M452 HydrophobicContact CD2-CG 4.07Å; F399-M452 HydrophobicContact CE1-CG 4.13Å; F399-M452 HydrophobicContact CE1-SD 4.14Å; F399-M452 HydrophobicContact CE2-CG 4.24Å; F399-M452 HydrophobicContact CG-CB 3.94Å; F399-M452 HydrophobicContact CG-CG 3.91Å; F399-M452 HydrophobicContact CZ-CG 4.28Å; F399-E455 HydrophobicContact CD2-CB 3.94Å; F399-E455 HydrophobicContact CD2-CG 3.67Å; F399-E455 HydrophobicContact CE2-CB 4.32Å; F399-E455 HydrophobicContact CE2-CG 3.8Å; F399-R459 PolarHBondContact O-NH1 3.29Å
400T97.3Very high94.4Very high10 Ų1024 Ų246%0.06113%0.125CC..Hα-helixtrans-86.5-5.4-17668.50000113.8A328 F329 I396 C402A328-T400 HydrophobicContact CB-CG2 4.33Å; A328-T400 WeakPolarHBondContact O-CB 3.27Å; A328-T400 VanDerWaalsContact O-CG2 3.3Å; A328-T400 WeakPolarHBondContact O-CG2 3.43Å; A328-T400 PolarHBondContact O-OG1 3.41Å; F329-T400 HydrophobicContact CD1-CG2 3.94Å; I396-T400 HydrophobicContact CG2-CG2 4.18Å; I396-T400 PolarHBondContact O-N 2.57Å; I396-T400 VanDerWaalsContact O-N 3.08Å; T400-C402 PolarHBondContact O-N 3.18Å
401R95.7Very high94.2Very high44 Ų4430.3 Ų30.317%0.16615%0.154CC..THydrogen-bonded Turntrans6220.6-177.7-57.4-61.1-59.7-156.3-14.5114.1L335 Y357 P397 L398 F399 F403 E406 E410L335-R401 HydrophobicContact CD2-CB 4.43Å; Y357-R401 PolarHBondContact OH-O 3.49Å; P397-R401 CarbonylContact O-C 3.38Å; P397-R401 WeakPolarHBondContact O-CA 3.42Å; P397-R401 PolarHBondContact O-N 2.76Å; L398-R401 VanDerWaalsContact O-CD 3.22Å; L398-R401 WeakPolarHBondContact O-CD 3.3Å; L398-R401 PolarHBondContact O-N 3.09Å; F399-R401 VanDerWaalsContact C-N 3.32Å; R401-F403 PolarHBondContact O-N 2.82Å; R401-E406 IonicContact CZ-OE1 2.81Å; R401-E406 VanDerWaalsContact CZ-OE1 3.23Å; R401-E406 IonicContact CZ-OE2 3.67Å; R401-E406 IonicContact NH1-OE1 2.74Å; R401-E406 PolarHBondContact NH1-OE1 3.19Å; R401-E406 IonicContact NH2-OE1 3.23Å; R401-E406 PolarHBondContact NH2-OE1 2.56Å; R401-E406 IonicContact NH2-OE2 3.98Å; R401-E406 PolarHBondContact NH2-OE2 2.84Å; R401-E410 IonicContact NH1-OE1 2.89Å
402C96.6Very high94.1Very high0 Ų030.4 Ų30.40%016%0.155CC..  trans-79.361.5-175.7-165.20000113.5C331 M364 P397 T400C331-C402 HydrophobicContact CB-CB 3.64Å; C331-C402 WeakPolarHBondContact CB-SG 3.41Å; C331-C402 WeakPolarHBondContact SG-CB 3.32Å; C331-C402 CovalentContact SG-SG 2.01Å; C331-C402 PolarHBondContact SG-SG 2.74Å; M364-C402 HydrophobicContact CG-CB 4.33Å; M364-C402 WeakPolarHBondContact CG-SG 3.36Å; P397-C402 PolarHBondContact O-N 2.88Å; P397-C402 VanDerWaalsContact O-N 3.14Å; T400-C402 PolarHBondContact O-N 3.18Å
403F95.6Very high94Very high17 Ų1730.3 Ų30.38%0.07515%0.154CC..  trans-157.1163.2176.957.5-85.9000110.8K361 W376 P397 L398 R401 E406 V409K361-F403 WeakPolarHBondContact CD-O 3.47Å; W376-F403 HydrophobicContact CH2-CB 4.31Å; W376-F403 HydrophobicContact CH2-CD1 4.19Å; W376-F403 HydrophobicContact CH2-CG 4.27Å; W376-F403 HydrophobicContact CZ2-CB 3.69Å; W376-F403 HydrophobicContact CZ2-CD1 4.31Å; W376-F403 HydrophobicContact CZ2-CG 4.14Å; P397-F403 VanDerWaalsContact O-CD1 3.31Å; P397-F403 WeakPolarHBondContact O-CD1 3.47Å; P397-F403 VanDerWaalsContact O-CE1 3.29Å; P397-F403 WeakPolarHBondContact O-CE1 3.13Å; L398-F403 HydrophobicContact CD2-CE1 3.92Å; L398-F403 HydrophobicContact CD2-CZ 3.92Å; R401-F403 PolarHBondContact O-N 2.82Å; F403-E406 HydrophobicContact CE2-CB 4.05Å; F403-E406 HydrophobicContact CE2-CG 4.25Å; F403-V409 HydrophobicContact CB-CG2 4.4Å; F403-V409 HydrophobicContact CD2-CB 3.84Å; F403-V409 HydrophobicContact CD2-CG1 3.67Å; F403-V409 HydrophobicContact CD2-CG2 3.94Å; F403-V409 HydrophobicContact CE2-CB 4.15Å; F403-V409 HydrophobicContact CE2-CG1 3.91Å; F403-V409 HydrophobicContact CG-CG1 4.01Å; F403-V409 HydrophobicContact CG-CG2 4.45Å; F403-V409 HydrophobicContact CZ-CG1 4.47Å
404D92Very high93.8Very high85 Ų8531.7 Ų31.746%0.45516%0.161SC..SBendtrans-107.6169.9170.3-69.9-49.4000109.7K361 V409K361-D404 WeakPolarHBondContact CE-OD1 3.39Å; K361-D404 IonicContact NZ-OD1 2.7Å; K361-D404 PolarHBondContact NZ-OD1 2.95Å; K361-D404 IonicContact NZ-OD2 2.85Å; D404-V409 WeakPolarHBondContact O-CG2 3.48Å
405D84.6Confident93.6Very high104 Ų10436.8 Ų36.856%0.55618%0.183SC*.  trans52.966.7178.4-162.4-8.4000113.3F408 V409D405-F408 HydrophobicContact CB-CB 4.29Å; D405-F408 PolarHBondContact O-N 3.11Å; D405-V409 WeakPolarHBondContact O-CG2 3.48Å; D405-V409 PolarHBondContact O-N 3.32Å
406E83.1Confident93.6Very high40 Ų4037 Ų3719%0.18718%0.184CC..Hα-helixtrans-52.8-47.4-176.1175176.5-160.400114.4R401 F403 F408 V409 E410R401-E406 IonicContact CZ-OE1 2.81Å; R401-E406 VanDerWaalsContact CZ-OE1 3.23Å; R401-E406 IonicContact CZ-OE2 3.67Å; R401-E406 IonicContact NH1-OE1 2.74Å; R401-E406 PolarHBondContact NH1-OE1 3.19Å; R401-E406 IonicContact NH2-OE1 3.23Å; R401-E406 PolarHBondContact NH2-OE1 2.56Å; R401-E406 IonicContact NH2-OE2 3.98Å; R401-E406 PolarHBondContact NH2-OE2 2.84Å; F403-E406 HydrophobicContact CE2-CB 4.05Å; F403-E406 HydrophobicContact CE2-CG 4.25Å; E406-F408 PolarHBondContact O-N 2.85Å; E406-V409 PolarHBondContact O-N 3.15Å; E406-E410 HydrophobicContact CG-CG 4.12Å; E406-E410 VanDerWaalsContact CG-OE1 3.23Å; E406-E410 WeakPolarHBondContact CG-OE1 3.39Å; E406-E410 WeakPolarHBondContact O-CB 3.25Å; E406-E410 VanDerWaalsContact O-CG 3.23Å; E406-E410 WeakPolarHBondContact O-CG 3.26Å; E406-E410 PolarHBondContact O-N 3.17Å; E406-E410 VanDerWaalsContact OE1-OE1 3.05Å
407P88.9Confident93.4Very high91 Ų9136.9 Ų36.959%0.59118%0.183SC*.Hα-helixtrans-59.2-43.4178.8-24.635.1000113.4Q411P407-Q411 WeakPolarHBondContact O-CB 3.33Å; P407-Q411 PolarHBondContact O-N 3.26Å; P407-Q411 VanDerWaalsContact O-N 3.13Å
408F92.8Very high93.1Very high79 Ų7943.3 Ų43.335%0.34621%0.213SC..Hα-helixtrans-65.8-47.8179.5170-104.6000111.6W369 D405 E406 Q411 S412W369-F408 AromaticContact CZ2-CE1 3.84Å; W369-F408 HydrophobicContact CZ2-CE1 3.84Å; W369-F408 HydrophobicContact CZ2-CZ 4.4Å; D405-F408 HydrophobicContact CB-CB 4.29Å; D405-F408 PolarHBondContact O-N 3.11Å; E406-F408 PolarHBondContact O-N 2.85Å; F408-Q411 PolarHBondContact O-N 3.44Å; F408-S412 VanDerWaalsContact O-CB 3.31Å; F408-S412 WeakPolarHBondContact O-CB 3.26Å; F408-S412 PolarHBondContact O-N 3.16Å; F408-S412 PolarHBondContact O-OG 3.24Å
409V93.8Very high93.1Very high8 Ų849.3 Ų49.35%0.04824%0.241CC..Hα-helixtrans-63.4-45.7-178.2166.30000111W369 W376 L398 F403 D404 D405 E406 S412 V413W369-V409 HydrophobicContact CH2-CG2 4.37Å; W376-V409 HydrophobicContact CH2-CG1 3.31Å; W376-V409 HydrophobicContact CZ2-CG1 3.92Å; W376-V409 HydrophobicContact CZ3-CG1 4.24Å; L398-V409 HydrophobicContact CD2-CG1 4.19Å; F403-V409 HydrophobicContact CB-CG2 4.4Å; F403-V409 HydrophobicContact CD2-CB 3.84Å; F403-V409 HydrophobicContact CD2-CG1 3.67Å; F403-V409 HydrophobicContact CD2-CG2 3.94Å; F403-V409 HydrophobicContact CE2-CB 4.15Å; F403-V409 HydrophobicContact CE2-CG1 3.91Å; F403-V409 HydrophobicContact CG-CG1 4.01Å; F403-V409 HydrophobicContact CG-CG2 4.45Å; F403-V409 HydrophobicContact CZ-CG1 4.47Å; D404-V409 WeakPolarHBondContact O-CG2 3.48Å; D405-V409 WeakPolarHBondContact O-CG2 3.48Å; D405-V409 PolarHBondContact O-N 3.32Å; E406-V409 PolarHBondContact O-N 3.15Å; V409-S412 WeakPolarHBondContact O-CB 3.35Å; V409-S412 PolarHBondContact O-N 3.43Å; V409-V413 HydrophobicContact CG1-CG2 4.39Å; V409-V413 VanDerWaalsContact O-CG2 3.32Å; V409-V413 WeakPolarHBondContact O-CG2 3.44Å; V409-V413 PolarHBondContact O-N 3.21Å
410E91.4Very high92.9Very high5 Ų552.3 Ų52.32%0.02325%0.254CS..Hα-helixtrans-64.5-43.8-179.5-70.7177.3164.700111.7R401 E406 S412 V413 M414 S460 V465R401-E410 IonicContact NH1-OE1 2.89Å; E406-E410 HydrophobicContact CG-CG 4.12Å; E406-E410 VanDerWaalsContact CG-OE1 3.23Å; E406-E410 WeakPolarHBondContact CG-OE1 3.39Å; E406-E410 WeakPolarHBondContact O-CB 3.25Å; E406-E410 VanDerWaalsContact O-CG 3.23Å; E406-E410 WeakPolarHBondContact O-CG 3.26Å; E406-E410 PolarHBondContact O-N 3.17Å; E406-E410 VanDerWaalsContact OE1-OE1 3.05Å; E410-S412 VanDerWaalsContact C-N 3.3Å; E410-S412 PolarHBondContact O-N 3.05Å; E410-V413 PolarHBondContact O-N 2.54Å; E410-M414 WeakPolarHBondContact O-CB 3.19Å; E410-M414 VanDerWaalsContact O-CG 3.25Å; E410-M414 WeakPolarHBondContact O-CG 3.34Å; E410-M414 PolarHBondContact O-N 3.5Å; E410-S460 VanDerWaalsContact OE1-CA 3.26Å; E410-S460 WeakPolarHBondContact OE1-CA 3.46Å; E410-S460 WeakPolarHBondContact OE1-CB 3.39Å; E410-S460 PolarHBondContact OE1-OG 3.42Å; E410-S460 PolarHBondContact OE2-OG 3.2Å; E410-V465 HydrophobicContact CB-CG2 4.11Å
411Q91.9Very high92.7Very high140 Ų14056.1 Ų56.165%0.65427%0.274SS*.Hα-helixtrans-61.5-41175.6-172.1176.118.900111.8P407 F408 M414 K415P407-Q411 WeakPolarHBondContact O-CB 3.33Å; P407-Q411 PolarHBondContact O-N 3.26Å; P407-Q411 VanDerWaalsContact O-N 3.13Å; F408-Q411 PolarHBondContact O-N 3.44Å; Q411-M414 PolarHBondContact O-N 2.77Å; Q411-K415 WeakPolarHBondContact O-CB 3.43Å; Q411-K415 PolarHBondContact O-N 2.91Å
412S94.4Very high92.6Very high4 Ų454 Ų543%0.02827%0.266CS..Hα-helixtrans-62.3-48.5177-62.70000111.9Q374 F408 V409 E410 M414 K415 Y416Q374-S412 PolarHBondContact OE1-OG 2.99Å; Q374-S412 VanDerWaalsContact OE1-OG 3.11Å; F408-S412 VanDerWaalsContact O-CB 3.31Å; F408-S412 WeakPolarHBondContact O-CB 3.26Å; F408-S412 PolarHBondContact O-N 3.16Å; F408-S412 PolarHBondContact O-OG 3.24Å; V409-S412 WeakPolarHBondContact O-CB 3.35Å; V409-S412 PolarHBondContact O-N 3.43Å; E410-S412 VanDerWaalsContact C-N 3.3Å; E410-S412 PolarHBondContact O-N 3.05Å; S412-M414 PolarHBondContact O-N 3.23Å; S412-K415 WeakPolarHBondContact O-CB 3.23Å; S412-K415 PolarHBondContact O-N 3.31Å; S412-Y416 PolarHBondContact O-N 3.27Å
413V94.3Very high92.4Very high0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-63.8-42.7178.5173.40000110.9I375 W376 L395 L398 V409 E410 K415 Y416 L417I375-V413 HydrophobicContact CD1-CG1 4.39Å; I375-V413 HydrophobicContact CD1-CG2 3.83Å; W376-V413 HydrophobicContact CZ3-CG2 3.92Å; L395-V413 HydrophobicContact CD2-CG1 3.41Å; L395-V413 VanDerWaalsContact CD2-CG1 3.41Å; L398-V413 HydrophobicContact CD1-CB 4.39Å; L398-V413 HydrophobicContact CD1-CG1 3.8Å; L398-V413 HydrophobicContact CD1-CG2 4.36Å; L398-V413 HydrophobicContact CD2-CG2 4.41Å; V409-V413 HydrophobicContact CG1-CG2 4.39Å; V409-V413 VanDerWaalsContact O-CG2 3.32Å; V409-V413 WeakPolarHBondContact O-CG2 3.44Å; V409-V413 PolarHBondContact O-N 3.21Å; E410-V413 PolarHBondContact O-N 2.54Å; V413-K415 VanDerWaalsContact C-N 3.31Å; V413-K415 PolarHBondContact O-N 2.72Å; V413-Y416 WeakPolarHBondContact O-CB 3.35Å; V413-Y416 PolarHBondContact O-N 2.72Å; V413-L417 HydrophobicContact CG1-CD1 3.85Å; V413-L417 HydrophobicContact CG1-CG 4.07Å; V413-L417 VanDerWaalsContact O-CG 3.28Å; V413-L417 WeakPolarHBondContact O-CG 3.23Å; V413-L417 PolarHBondContact O-N 2.85Å
414M93.5Very high92.2Very high30 Ų3060 Ų6015%0.14830%0.299CS..Hα-helixtrans-58.4-44.9177-76.7-51.2-46.800111.9E410 Q411 S412 L417 Q418 L423 L457 V465 V468E410-M414 WeakPolarHBondContact O-CB 3.19Å; E410-M414 VanDerWaalsContact O-CG 3.25Å; E410-M414 WeakPolarHBondContact O-CG 3.34Å; E410-M414 PolarHBondContact O-N 3.5Å; Q411-M414 PolarHBondContact O-N 2.77Å; S412-M414 PolarHBondContact O-N 3.23Å; M414-L417 PolarHBondContact O-N 3.02Å; M414-Q418 WeakPolarHBondContact O-CB 3.48Å; M414-Q418 PolarHBondContact O-N 2.83Å; M414-Q418 VanDerWaalsContact O-N 3.1Å; M414-L423 HydrophobicContact CE-CD1 3.73Å; M414-L457 HydrophobicContact SD-CD2 4.36Å; M414-V465 HydrophobicContact CG-CG2 4.04Å; M414-V468 HydrophobicContact CE-CB 3.93Å; M414-V468 HydrophobicContact CE-CG1 3.74Å; M414-V468 HydrophobicContact CE-CG2 3.27Å; M414-V468 HydrophobicContact SD-CB 4.08Å; M414-V468 HydrophobicContact SD-CG1 3.92Å; M414-V468 HydrophobicContact SD-CG2 3.96Å
415K94.1Very high92.1Very high107 Ų10757 Ų5747%0.46528%0.282SS..Hα-helixtrans-60.8-47.2174.1-179.4-177.7168-169.90111.5Q411 S412 V413 L417 Q418 E419Q411-K415 WeakPolarHBondContact O-CB 3.43Å; Q411-K415 PolarHBondContact O-N 2.91Å; S412-K415 WeakPolarHBondContact O-CB 3.23Å; S412-K415 PolarHBondContact O-N 3.31Å; V413-K415 VanDerWaalsContact C-N 3.31Å; V413-K415 PolarHBondContact O-N 2.72Å; K415-L417 PolarHBondContact O-N 3.09Å; K415-Q418 PolarHBondContact O-N 3.19Å; K415-E419 WeakPolarHBondContact CE-OE1 3.45Å; K415-E419 HydrophobicContact CG-CG 4.4Å; K415-E419 IonicContact NZ-OE1 2.75Å; K415-E419 WeakPolarHBondContact O-CG 3.3Å; K415-E419 PolarHBondContact O-N 2.92Å
416Y96Very high92.3Very high3 Ų354.8 Ų54.81%0.01227%0.274CS..Hα-helixtrans-58.7-46.3178.6179.3-97.5000112.5D373 I375 Y377 Y390 S412 V413 Q418 E419 K420D373-Y416 HydrophobicContact CB-CD2 4.41Å; D373-Y416 HydrophobicContact CB-CE2 4.25Å; D373-Y416 WeakPolarHBondContact O-CD2 3.48Å; I375-Y416 HydrophobicContact CB-CD1 4.24Å; I375-Y416 HydrophobicContact CB-CD2 3.98Å; I375-Y416 HydrophobicContact CB-CE1 4.32Å; I375-Y416 HydrophobicContact CB-CE2 4.07Å; I375-Y416 HydrophobicContact CB-CG 4.06Å; I375-Y416 HydrophobicContact CD1-CD1 3.91Å; I375-Y416 HydrophobicContact CD1-CE1 4.31Å; I375-Y416 HydrophobicContact CD1-CG 4.29Å; I375-Y416 HydrophobicContact CG1-CD1 3.81Å; I375-Y416 HydrophobicContact CG1-CD2 4.44Å; I375-Y416 HydrophobicContact CG1-CE1 3.79Å; I375-Y416 HydrophobicContact CG1-CE2 4.42Å; I375-Y416 HydrophobicContact CG1-CG 4.14Å; I375-Y416 HydrophobicContact CG2-CD2 3.97Å; I375-Y416 HydrophobicContact CG2-CE1 4.36Å; I375-Y416 HydrophobicContact CG2-CE2 3.6Å; I375-Y416 HydrophobicContact CG2-CG 4.49Å; Y377-Y416 WeakPolarHBondContact OH-CE2 3.25Å; Y377-Y416 PolarHBondContact OH-OH 2.81Å; Y377-Y416 VanDerWaalsContact OH-OH 3.13Å; Y390-Y416 AromaticContact CD2-CE1 3.81Å; Y390-Y416 HydrophobicContact CD2-CE1 3.81Å; Y390-Y416 HydrophobicContact CE2-CE1 4.37Å; S412-Y416 PolarHBondContact O-N 3.27Å; V413-Y416 WeakPolarHBondContact O-CB 3.35Å; V413-Y416 PolarHBondContact O-N 2.72Å; Y416-Q418 VanDerWaalsContact C-N 3.27Å; Y416-Q418 PolarHBondContact O-N 3.46Å; Y416-E419 PolarHBondContact O-N 3.14Å; Y416-K420 HydrophobicContact CD1-CG 4.24Å; Y416-K420 HydrophobicContact CD2-CG 4.39Å; Y416-K420 HydrophobicContact CE1-CG 3.85Å; Y416-K420 HydrophobicContact CE2-CD 4.34Å; Y416-K420 HydrophobicContact CE2-CG 4.01Å; Y416-K420 VanDerWaalsContact CZ-CE 3.45Å; Y416-K420 WeakPolarHBondContact O-CB 3.47Å; Y416-K420 WeakPolarHBondContact O-CG 3.37Å; Y416-K420 PolarHBondContact O-N 2.76Å; Y416-K420 WeakPolarHBondContact OH-CE 3.37Å
417L94.4Very high92.7Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-63.3-35.3178.8-67.8175000112.3Y390 L395 V413 M414 K415 D421 V422 L423Y390-L417 HydrophobicContact CE2-CD2 4.2Å; L395-L417 HydrophobicContact CD1-CD2 3.7Å; L395-L417 HydrophobicContact CD2-CD1 4.39Å; L395-L417 HydrophobicContact CD2-CD2 3.9Å; L395-L417 HydrophobicContact CD2-CG 4.3Å; L395-L417 HydrophobicContact CG-CD2 4.4Å; V413-L417 HydrophobicContact CG1-CD1 3.85Å; V413-L417 HydrophobicContact CG1-CG 4.07Å; V413-L417 VanDerWaalsContact O-CG 3.28Å; V413-L417 WeakPolarHBondContact O-CG 3.23Å; V413-L417 PolarHBondContact O-N 2.85Å; M414-L417 PolarHBondContact O-N 3.02Å; K415-L417 PolarHBondContact O-N 3.09Å; L417-D421 PolarHBondContact O-N 3.1Å; L417-V422 HydrophobicContact CB-CG2 4.05Å; L417-V422 HydrophobicContact CD2-CG2 3.54Å; L417-V422 HydrophobicContact CG-CG2 4.43Å; L417-V422 WeakPolarHBondContact O-CG2 3.27Å; L417-V422 PolarHBondContact O-N 2.86Å; L417-L423 HydrophobicContact CB-CD1 3.94Å; L417-L423 HydrophobicContact CB-CD2 4.02Å; L417-L423 HydrophobicContact CB-CG 3.76Å; L417-L423 HydrophobicContact CD1-CD2 4.14Å
418Q92.6Very high92.8Very high134 Ų13449.8 Ų49.863%0.62624%0.243SC*.Hα-helixtrans-72.3-41.8175.8-167.6158.8800111.9M414 K415 Y416 K420 D421M414-Q418 WeakPolarHBondContact O-CB 3.48Å; M414-Q418 PolarHBondContact O-N 2.83Å; M414-Q418 VanDerWaalsContact O-N 3.1Å; K415-Q418 PolarHBondContact O-N 3.19Å; Y416-Q418 VanDerWaalsContact C-N 3.27Å; Y416-Q418 PolarHBondContact O-N 3.46Å; Q418-K420 VanDerWaalsContact C-N 3.35Å; Q418-K420 PolarHBondContact O-N 2.92Å; Q418-D421 PolarHBondContact O-N 3.19Å; Q418-D421 VanDerWaalsContact O-N 3.13Å
419E94.7Very high93Very high127 Ų12746.2 Ų46.259%0.59323%0.227SC*.Hα-helixtrans-66.3-33.8176.6-74.4179.6172.200113.1K415 Y416 D421K415-E419 WeakPolarHBondContact CE-OE1 3.45Å; K415-E419 HydrophobicContact CG-CG 4.4Å; K415-E419 IonicContact NZ-OE1 2.75Å; K415-E419 WeakPolarHBondContact O-CG 3.3Å; K415-E419 PolarHBondContact O-N 2.92Å; Y416-E419 PolarHBondContact O-N 3.14Å; E419-D421 PolarHBondContact O-N 3.12Å
420K94.4Very high93.1Very high70 Ų7045.9 Ų45.930%0.30423%0.226SC..THydrogen-bonded Turntrans-79-2.5173.9-65.3-55.6-177.5-1670113.7Y390 Y416 Q418 V422 L433Y390-K420 HydrophobicContact CD2-CB 4.42Å; Y390-K420 HydrophobicContact CD2-CG 4.31Å; Y416-K420 HydrophobicContact CD1-CG 4.24Å; Y416-K420 HydrophobicContact CD2-CG 4.39Å; Y416-K420 HydrophobicContact CE1-CG 3.85Å; Y416-K420 HydrophobicContact CE2-CD 4.34Å; Y416-K420 HydrophobicContact CE2-CG 4.01Å; Y416-K420 VanDerWaalsContact CZ-CE 3.45Å; Y416-K420 WeakPolarHBondContact O-CB 3.47Å; Y416-K420 WeakPolarHBondContact O-CG 3.37Å; Y416-K420 PolarHBondContact O-N 2.76Å; Y416-K420 WeakPolarHBondContact OH-CE 3.37Å; Q418-K420 VanDerWaalsContact C-N 3.35Å; Q418-K420 PolarHBondContact O-N 2.92Å; K420-V422 HydrophobicContact CB-CG1 4.18Å; K420-V422 HydrophobicContact CB-CG2 4.37Å; K420-V422 PolarHBondContact O-N 3.45Å; K420-V422 VanDerWaalsContact O-N 3.12Å; K420-L433 HydrophobicContact CB-CD1 4.22Å; K420-L433 HydrophobicContact CD-CD1 4.42Å
421D92.7Very high93.4Very high90 Ų9045.7 Ų45.748%0.48123%0.225SC..THydrogen-bonded Turntrans59.817.1-180-157.939.9000114.5L417 Q418 E419 N424L417-D421 PolarHBondContact O-N 3.1Å; Q418-D421 PolarHBondContact O-N 3.19Å; Q418-D421 VanDerWaalsContact O-N 3.13Å; E419-D421 PolarHBondContact O-N 3.12Å; D421-N424 PolarHBondContact O-N 3.38Å; D421-N424 WeakPolarHBondContact OD1-CB 3.27Å; D421-N424 PolarHBondContact OD1-ND2 3.21Å
422V93.2Very high93.6Very high0 Ų039 Ų390%019%0.194CC..G310 helixtrans-77.3-25-176.9-67.20000112.4Y390 L417 K420 N424 M425 L429 P430 L433Y390-V422 HydrophobicContact CD1-CG1 4.33Å; Y390-V422 HydrophobicContact CD2-CG1 4.29Å; Y390-V422 HydrophobicContact CE1-CG1 3.92Å; Y390-V422 HydrophobicContact CE2-CB 4.38Å; Y390-V422 HydrophobicContact CE2-CG1 3.89Å; Y390-V422 HydrophobicContact CE2-CG2 3.89Å; L417-V422 HydrophobicContact CB-CG2 4.05Å; L417-V422 HydrophobicContact CD2-CG2 3.54Å; L417-V422 HydrophobicContact CG-CG2 4.43Å; L417-V422 WeakPolarHBondContact O-CG2 3.27Å; L417-V422 PolarHBondContact O-N 2.86Å; K420-V422 HydrophobicContact CB-CG1 4.18Å; K420-V422 HydrophobicContact CB-CG2 4.37Å; K420-V422 PolarHBondContact O-N 3.45Å; K420-V422 VanDerWaalsContact O-N 3.12Å; V422-N424 PolarHBondContact O-N 2.99Å; V422-M425 WeakPolarHBondContact O-CB 3.31Å; V422-M425 WeakPolarHBondContact O-CG 3.06Å; V422-M425 PolarHBondContact O-N 2.69Å; V422-L429 HydrophobicContact CB-CD2 4.06Å; V422-L429 HydrophobicContact CG2-CD2 4.14Å; V422-P430 HydrophobicContact CG1-CG 4.32Å; V422-L433 HydrophobicContact CG1-CD1 4.32Å; V422-L433 HydrophobicContact CG1-CD2 3.86Å; V422-L433 HydrophobicContact CG1-CG 4.29Å
423L92.2Very high93.7Very high29 Ų2941.5 Ų41.515%0.15221%0.206CC..G310 helixtrans-68.5-23173.2-62.8-178.5000112.6M414 L417 V468 L472 K475M414-L423 HydrophobicContact CE-CD1 3.73Å; L417-L423 HydrophobicContact CB-CD1 3.94Å; L417-L423 HydrophobicContact CB-CD2 4.02Å; L417-L423 HydrophobicContact CB-CG 3.76Å; L417-L423 HydrophobicContact CD1-CD2 4.14Å; L423-V468 HydrophobicContact CD1-CG1 4.41Å; L423-V468 HydrophobicContact CD2-CG1 3.92Å; L423-L472 HydrophobicContact CD2-CD1 4.32Å; L423-L472 HydrophobicContact CD2-CD2 4.17Å; L423-L472 HydrophobicContact CD2-CG 4.48Å; L423-K475 PolarHBondContact O-NZ 3.02Å
424N91.7Very high93.7Very high113 Ų11343.1 Ų43.160%0.60422%0.216SC*.G310 helixtrans-87.1-6178.9-71.5-32.2000113.3D421 V422D421-N424 PolarHBondContact O-N 3.38Å; D421-N424 WeakPolarHBondContact OD1-CB 3.27Å; D421-N424 PolarHBondContact OD1-ND2 3.21Å; V422-N424 PolarHBondContact O-N 2.99Å
425M90.7Very high93.6Very high22 Ų2248.8 Ų48.811%0.10824%0.236CC..  trans-57.3138.5171.2-68.8-77178.900110.4V422 H427 G428 P430 L433 K475 E498V422-M425 WeakPolarHBondContact O-CB 3.31Å; V422-M425 WeakPolarHBondContact O-CG 3.06Å; V422-M425 PolarHBondContact O-N 2.69Å; M425-H427 PolarHBondContact O-N 3.16Å; M425-G428 VanDerWaalsContact CB-O 3.25Å; M425-G428 WeakPolarHBondContact CB-O 3.18Å; M425-P430 HydrophobicContact CE-CG 4.32Å; M425-P430 HydrophobicContact CG-CG 4.4Å; M425-L433 HydrophobicContact CE-CD2 4.15Å; M425-K475 PolarHBondContact O-NZ 2.9Å; M425-E498 HydrophobicContact SD-CG 4.25Å
426P88.8Confident93.6Very high59 Ų5944.8 Ų44.838%0.38322%0.22SC..THydrogen-bonded Turntrans-72-30.3-166.321.7-28.7000113.6V497 E498P426-V497 VanDerWaalsContact CD-O 3.3Å; P426-V497 WeakPolarHBondContact CD-O 3.34Å; P426-V497 VanDerWaalsContact CG-O 3.32Å; P426-V497 WeakPolarHBondContact CG-O 3.46Å; P426-E498 WeakPolarHBondContact CG-O 3.48Å
427H90Very high93.3Very high24 Ų2451.8 Ų51.811%0.11126%0.258CS..THydrogen-bonded Turntrans-129.120.7-165.1-68.1-46000114.6M425 L479 V497 Y501M425-H427 PolarHBondContact O-N 3.16Å; H427-L479 HydrophobicContact CB-CB 3.82Å; H427-L479 HydrophobicContact CB-CD1 3.92Å; H427-L479 HydrophobicContact CB-CD2 3.78Å; H427-L479 HydrophobicContact CB-CG 4.01Å; H427-V497 HydrophobicContact CB-CB 4.41Å; H427-V497 WeakPolarHBondContact CB-O 3.21Å; H427-V497 PolarHBondContact N-O 2.86Å; H427-Y501 AromaticContact CE1-CE1 3.99Å
428G92.2Very high93.4Very high1 Ų153.3 Ų53.31%0.0127%0.265CS..SBendtrans119.5-170.2-179.600000112M425M425-G428 VanDerWaalsContact CB-O 3.25Å; M425-G428 WeakPolarHBondContact CB-O 3.18Å
429L95.4Very high93.5Very high4 Ų447 Ų472%0.02124%0.236CC..  trans-85.2132.7-176-61.9175.3000111.1L395 V422 N450 V453 L472L395-L429 HydrophobicContact CD1-CD1 4.47Å; V422-L429 HydrophobicContact CB-CD2 4.06Å; V422-L429 HydrophobicContact CG2-CD2 4.14Å; L429-N450 PolarHBondContact N-OD1 3.1Å; L429-N450 PolarHBondContact O-ND2 2.85Å; L429-N450 VanDerWaalsContact O-ND2 3.15Å; L429-V453 HydrophobicContact CD1-CB 3.83Å; L429-V453 HydrophobicContact CD1-CG1 3.57Å; L429-V453 HydrophobicContact CD1-CG2 3.99Å; L429-L472 HydrophobicContact CD1-CD1 4.15Å; L429-L472 HydrophobicContact CD2-CD2 3.92Å; L429-L472 HydrophobicContact CG-CD1 4.46Å; L429-L472 HydrophobicContact CG-CD2 4.01Å
430P96.2Very high93.7Very high2 Ų241 Ų411%0.01321%0.208CC..  trans-73.7156169.333.7-35.6000109.9Y390 V422 M425 S432 L433 V497Y390-P430 HydrophobicContact CE1-CG 4.35Å; V422-P430 HydrophobicContact CG1-CG 4.32Å; M425-P430 HydrophobicContact CE-CG 4.32Å; M425-P430 HydrophobicContact CG-CG 4.4Å; P430-S432 VanDerWaalsContact C-N 3.35Å; P430-S432 WeakPolarHBondContact CB-O 3.36Å; P430-S432 PolarHBondContact O-N 2.97Å; P430-L433 HydrophobicContact CG-CD2 4.28Å; P430-V497 HydrophobicContact CB-CG2 3.8Å
431T97.5Very high93.8Very high1 Ų137.7 Ų37.71%0.00619%0.193CC..SBendtrans-65.3-40.8179.1-54.70000112.3W296 Y391 G392 W440 N444 L449W296-T431 HydrophobicContact CD2-CG2 4.47Å; W296-T431 HydrophobicContact CE3-CG2 3.65Å; W296-T431 HydrophobicContact CH2-CG2 3.62Å; W296-T431 HydrophobicContact CZ2-CG2 4.45Å; W296-T431 HydrophobicContact CZ3-CG2 3.15Å; Y391-T431 WeakPolarHBondContact CA-O 3.39Å; G392-T431 PolarHBondContact N-O 3.4Å; T431-W440 HydrophobicContact CG2-CB 3.96Å; T431-W440 HydrophobicContact CG2-CE3 3.85Å; T431-W440 WeakPolarHBondContact CG2-O 3.47Å; T431-N444 WeakPolarHBondContact CB-O 3.18Å; T431-N444 PolarHBondContact N-O 2.73Å; T431-N444 PolarHBondContact OG1-O 3.41Å; T431-L449 HydrophobicContact CG2-CD1 3.74Å
432S97.2Very high94Very high0 Ų036.6 Ų36.60%018%0.183CC..BIsolated β-bridgetrans-146.3172.1174.384.60000109.4P430 T434 D441 R442P430-S432 VanDerWaalsContact C-N 3.35Å; P430-S432 WeakPolarHBondContact CB-O 3.36Å; P430-S432 PolarHBondContact O-N 2.97Å; S432-T434 PolarHBondContact OG-N 2.87Å; S432-T434 PolarHBondContact OG-O 3.33Å; S432-D441 VanDerWaalsContact CB-OD1 3.25Å; S432-D441 WeakPolarHBondContact CB-OD1 3.21Å; S432-D441 PolarHBondContact OG-OD1 2.81Å; S432-R442 WeakPolarHBondContact O-CB 3.4Å
433L95.8Very high94Very high56 Ų5637.5 Ų37.529%0.29319%0.188SC..SBendtrans-93.21.6168.9-70.3177.4000113.2Y390 K420 V422 M425 P430Y390-L433 HydrophobicContact CD1-CD1 4.29Å; Y390-L433 HydrophobicContact CD1-CG 3.73Å; Y390-L433 HydrophobicContact CG-CD1 4.06Å; Y390-L433 HydrophobicContact CG-CG 4.01Å; K420-L433 HydrophobicContact CB-CD1 4.22Å; K420-L433 HydrophobicContact CD-CD1 4.42Å; V422-L433 HydrophobicContact CG1-CD1 4.32Å; V422-L433 HydrophobicContact CG1-CD2 3.86Å; V422-L433 HydrophobicContact CG1-CG 4.29Å; M425-L433 HydrophobicContact CE-CD2 4.15Å; P430-L433 HydrophobicContact CG-CD2 4.28Å
434T94.8Very high94.2Very high34 Ų3436.3 Ų36.321%0.20918%0.182CC..  trans-91.6131.4-178.1-520000109.5S300 L311 S432 T436 D441 R442S300-T434 WeakPolarHBondContact OG-CB 3.43Å; L311-T434 HydrophobicContact CD1-CG2 4.31Å; S432-T434 PolarHBondContact OG-N 2.87Å; S432-T434 PolarHBondContact OG-O 3.33Å; T434-T436 HydrophobicContact CG2-CG2 3.98Å; T434-D441 WeakPolarHBondContact O-CB 3.49Å; T434-R442 VanDerWaalsContact O-CB 3.3Å; T434-R442 WeakPolarHBondContact O-CB 3.25Å; T434-R442 PolarHBondContact O-N 2.58Å; T434-R442 VanDerWaalsContact O-N 3.11Å
435W91.9Very high94.5Very high148 Ų14830.9 Ų30.956%0.56115%0.153SC*.BIsolated β-bridgetrans-84.3120.9169.5-85.499.4000110.1R442 P443 E498W435-R442 HydrophobicContact CD2-CB 4.38Å; W435-R442 HydrophobicContact CD2-CG 4.33Å; W435-R442 VanDerWaalsContact CE3-O 3.26Å; W435-R442 HydrophobicContact CG-CB 4.47Å; W435-R442 HydrophobicContact CZ2-CG 4.15Å; W435-P443 HydrophobicContact CH2-CB 3.55Å; W435-P443 HydrophobicContact CH2-CG 3.48Å; W435-P443 VanDerWaalsContact CH2-CG 3.48Å; W435-P443 HydrophobicContact CZ2-CB 3.93Å; W435-P443 HydrophobicContact CZ2-CG 4.35Å; W435-P443 HydrophobicContact CZ3-CB 4.24Å; W435-P443 HydrophobicContact CZ3-CG 3.79Å; W435-E498 WeakPolarHBondContact CZ2-OE2 3.32Å
436T92.7Very high94.8Very high23 Ų2330 Ų3014%0.14115%0.148CC..  trans-138173.1168.8710000108.6T434 E438 D441T434-T436 HydrophobicContact CG2-CG2 3.98Å; T436-E438 PolarHBondContact O-N 2.83Å; T436-E438 WeakPolarHBondContact OG1-CB 3.44Å; T436-E438 PolarHBondContact OG1-N 2.64Å; T436-E438 VanDerWaalsContact OG1-N 3.12Å; T436-D441 WeakPolarHBondContact CG2-OD2 3.26Å; T436-D441 VanDerWaalsContact OG1-CB 3.3Å; T436-D441 WeakPolarHBondContact OG1-CB 3.42Å; T436-D441 PolarHBondContact OG1-OD2 2.95Å
437D90.7Very high95.3Very high151 Ų15127.1 Ų27.181%0.80713%0.13SC*.SBendtrans-81.75.1171.2-60.9-38.2000112.2G506 G507D437-G506 CarbonylContact O-C 3.44Å; D437-G506 VanDerWaalsContact O-CA 3.24Å; D437-G506 WeakPolarHBondContact O-CA 3.3Å; D437-G507 PolarHBondContact O-N 3.49Å
438E95.9Very high95.7Very high31 Ų3126 Ų2615%0.14513%0.125CC..SBendtrans-92154.9-176.4-52-68.2177.600112.2F298 F303 T436F298-E438 HydrophobicContact CB-CB 4.44Å; F298-E438 HydrophobicContact CB-CG 4.25Å; F298-E438 WeakPolarHBondContact O-CB 3.35Å; F303-E438 HydrophobicContact CE2-CG 3.82Å; F303-E438 HydrophobicContact CZ-CG 3.84Å; T436-E438 PolarHBondContact O-N 2.83Å; T436-E438 WeakPolarHBondContact OG1-CB 3.44Å; T436-E438 PolarHBondContact OG1-N 2.64Å; T436-E438 VanDerWaalsContact OG1-N 3.12Å
439Q95.9Very high95.9Very high1 Ų126.3 Ų26.31%0.00513%0.126CC..THydrogen-bonded Turntrans-79.7-22.5-169.565.4177.2-18.400115.1D297 D441 N444 W446 Y509D297-Q439 WeakPolarHBondContact O-CG 3.26Å; D297-Q439 PolarHBondContact O-NE2 3.12Å; Q439-D441 VanDerWaalsContact C-N 3.32Å; Q439-D441 PolarHBondContact O-N 2.94Å; Q439-N444 WeakPolarHBondContact CA-ND2 3.26Å; Q439-N444 WeakPolarHBondContact O-CB 3.21Å; Q439-N444 PolarHBondContact O-ND2 2.65Å; Q439-W446 HydrophobicContact CB-CZ2 3.86Å; Q439-W446 HydrophobicContact CG-CH2 4.17Å; Q439-W446 HydrophobicContact CG-CZ2 3.77Å; Q439-W446 PolarHBondContact O-NE1 3.01Å; Q439-Y509 PolarHBondContact NE2-OH 3.46Å; Q439-Y509 VanDerWaalsContact NE2-OH 3.08Å; Q439-Y509 PolarHBondContact OE1-OH 2.96Å
440W97.9Very high96.1Very high3 Ų326.1 Ų26.11%0.01113%0.125CC..THydrogen-bonded Turntrans-98.845.4176.6-69.592.7000111.6W154 G295 W296 F298 T299 T431 W446 L449 W517W154-W440 AromaticContact CH2-CH2 3.35Å; W154-W440 HydrophobicContact CH2-CH2 3.35Å; W154-W440 AromaticContact CH2-CZ2 3.84Å; W154-W440 HydrophobicContact CH2-CZ2 3.84Å; W154-W440 AromaticContact CH2-CZ3 4Å; W154-W440 HydrophobicContact CH2-CZ3 4Å; W154-W440 AromaticContact CZ2-CH2 3.53Å; W154-W440 HydrophobicContact CZ2-CH2 3.53Å; W154-W440 AromaticContact CZ2-CZ2 3.62Å; W154-W440 HydrophobicContact CZ2-CZ2 3.62Å; G295-W440 WeakPolarHBondContact O-CZ2 3.25Å; G295-W440 PolarHBondContact O-NE1 3.43Å; W296-W440 HydrophobicContact CB-CB 4.24Å; W296-W440 HydrophobicContact CB-CD2 4.13Å; W296-W440 HydrophobicContact CB-CG 4Å; W296-W440 AromaticContact CD1-CE3 3.97Å; W296-W440 HydrophobicContact CD2-CB 4.29Å; W296-W440 AromaticContact CD2-CD2 4Å; W296-W440 HydrophobicContact CD2-CD2 4Å; W296-W440 AromaticContact CD2-CE3 3.51Å; W296-W440 HydrophobicContact CD2-CE3 3.51Å; W296-W440 HydrophobicContact CD2-CG 4.34Å; W296-W440 HydrophobicContact CD2-CZ3 4.18Å; W296-W440 AromaticContact CE2-CE3 3.76Å; W296-W440 AromaticContact CE2-CZ3 3.98Å; W296-W440 HydrophobicContact CE3-CB 3.87Å; W296-W440 HydrophobicContact CE3-CD2 4.39Å; W296-W440 AromaticContact CE3-CE3 3.96Å; W296-W440 HydrophobicContact CE3-CE3 3.96Å; W296-W440 HydrophobicContact CE3-CG 4.41Å; W296-W440 HydrophobicContact CG-CB 4.46Å; W296-W440 AromaticContact CG-CD2 3.85Å; W296-W440 HydrophobicContact CG-CD2 3.85Å; W296-W440 AromaticContact CG-CE3 3.74Å; W296-W440 HydrophobicContact CG-CE3 3.74Å; W296-W440 HydrophobicContact CG-CG 4.17Å; W296-W440 HydrophobicContact CG-CZ3 4.3Å; W296-W440 HydrophobicContact CZ2-CE3 4.45Å; W296-W440 AromaticContact NE1-CE3 3.95Å; W296-W440 AromaticContact NE1-CZ3 3.84Å; F298-W440 WeakPolarHBondContact O-CB 3.45Å; F298-W440 PolarHBondContact O-N 2.8Å; T299-W440 WeakPolarHBondContact CB-O 3.42Å; T299-W440 HydrophobicContact CG2-CB 4.4Å; T299-W440 PolarHBondContact OG1-O 3.44Å; T431-W440 HydrophobicContact CG2-CB 3.96Å; T431-W440 HydrophobicContact CG2-CE3 3.85Å; T431-W440 WeakPolarHBondContact CG2-O 3.47Å; W440-W446 HydrophobicContact CD2-CD2 4.09Å; W440-W446 AromaticContact CD2-CE2 3.75Å; W440-W446 HydrophobicContact CD2-CG 4.37Å; W440-W446 HydrophobicContact CD2-CZ2 4.05Å; W440-W446 AromaticContact CD2-NE1 3.85Å; W440-W446 AromaticContact CE2-CD2 3.86Å; W440-W446 AromaticContact CE2-CE2 3.7Å; W440-W446 AromaticContact CE2-CE3 3.97Å; W440-W446 AromaticContact CE2-CH2 3.79Å; W440-W446 AromaticContact CE2-CZ2 3.69Å; W440-W446 AromaticContact CE2-CZ3 3.91Å; W440-W446 AromaticContact CE3-CD1 3.8Å; W440-W446 HydrophobicContact CE3-CD2 4.07Å; W440-W446 AromaticContact CE3-CG 3.9Å; W440-W446 HydrophobicContact CE3-CG 3.9Å; W440-W446 AromaticContact CE3-NE1 3.91Å; W440-W446 HydrophobicContact CG-CZ2 4.21Å; W440-W446 HydrophobicContact CH2-CB 3.97Å; W440-W446 AromaticContact CH2-CD2 3.57Å; W440-W446 HydrophobicContact CH2-CD2 3.57Å; W440-W446 AromaticContact CH2-CE3 3.57Å; W440-W446 HydrophobicContact CH2-CE3 3.57Å; W440-W446 AromaticContact CH2-CG 3.75Å; W440-W446 HydrophobicContact CH2-CG 3.75Å; W440-W446 HydrophobicContact CH2-CZ3 4.21Å; W440-W446 AromaticContact CZ2-CD2 3.6Å; W440-W446 HydrophobicContact CZ2-CD2 3.6Å; W440-W446 AromaticContact CZ2-CE2 3.95Å; W440-W446 AromaticContact CZ2-CE3 3.39Å; W440-W446 HydrophobicContact CZ2-CE3 3.39Å; W440-W446 HydrophobicContact CZ2-CG 4.25Å; W440-W446 AromaticContact CZ2-CH2 3.92Å; W440-W446 HydrophobicContact CZ2-CH2 3.92Å; W440-W446 HydrophobicContact CZ2-CZ2 4.13Å; W440-W446 AromaticContact CZ2-CZ3 3.53Å; W440-W446 HydrophobicContact CZ2-CZ3 3.53Å; W440-W446 HydrophobicContact CZ3-CB 3.78Å; W440-W446 AromaticContact CZ3-CD1 3.93Å; W440-W446 AromaticContact CZ3-CD2 3.82Å; W440-W446 HydrophobicContact CZ3-CD2 3.82Å; W440-W446 HydrophobicContact CZ3-CE3 4.3Å; W440-W446 AromaticContact CZ3-CG 3.57Å; W440-W446 HydrophobicContact CZ3-CG 3.57Å; W440-W446 AromaticContact NE1-CH2 3.7Å; W440-W446 AromaticContact NE1-CZ2 3.68Å; W440-L449 HydrophobicContact CE3-CD1 3.97Å; W440-L449 HydrophobicContact CZ3-CD1 3.69Å; W440-L449 HydrophobicContact CZ3-CG 4.12Å; W440-W517 HydrophobicContact CH2-CH2 4.21Å; W440-W517 HydrophobicContact CH2-CZ3 4.48Å; W440-W517 AromaticContact CZ2-CH2 3.96Å; W440-W517 HydrophobicContact CZ2-CH2 3.96Å
441D97.4Very high96.2Very high0 Ų026.1 Ų26.10%013%0.125CC..SBendtrans-144.7176.5176.3-88.4-39.6000110.4T299 S300 S432 T434 T436 Q439 N444T299-D441 PolarHBondContact OG1-OD1 3.02Å; S300-D441 WeakPolarHBondContact CB-OD1 3.44Å; S300-D441 VanDerWaalsContact CB-OD2 3.28Å; S300-D441 WeakPolarHBondContact CB-OD2 3.33Å; S300-D441 PolarHBondContact N-OD2 3.31Å; S300-D441 PolarHBondContact OG-OD1 3.38Å; S300-D441 PolarHBondContact OG-OD2 3.16Å; S432-D441 VanDerWaalsContact CB-OD1 3.25Å; S432-D441 WeakPolarHBondContact CB-OD1 3.21Å; S432-D441 PolarHBondContact OG-OD1 2.81Å; T434-D441 WeakPolarHBondContact O-CB 3.49Å; T436-D441 WeakPolarHBondContact CG2-OD2 3.26Å; T436-D441 VanDerWaalsContact OG1-CB 3.3Å; T436-D441 WeakPolarHBondContact OG1-CB 3.42Å; T436-D441 PolarHBondContact OG1-OD2 2.95Å; Q439-D441 VanDerWaalsContact C-N 3.32Å; Q439-D441 PolarHBondContact O-N 2.94Å; D441-N444 WeakPolarHBondContact O-CB 3.17Å; D441-N444 PolarHBondContact O-N 3.39Å
442R95.1Very high96.2Very high67 Ų6726.1 Ų26.125%0.25313%0.125SC..BIsolated β-bridgetrans-59.3133.4176-165.5174.7171.9-164.20.2110S432 T434 W435 E498S432-R442 WeakPolarHBondContact O-CB 3.4Å; T434-R442 VanDerWaalsContact O-CB 3.3Å; T434-R442 WeakPolarHBondContact O-CB 3.25Å; T434-R442 PolarHBondContact O-N 2.58Å; T434-R442 VanDerWaalsContact O-N 3.11Å; W435-R442 HydrophobicContact CD2-CB 4.38Å; W435-R442 HydrophobicContact CD2-CG 4.33Å; W435-R442 VanDerWaalsContact CE3-O 3.26Å; W435-R442 HydrophobicContact CG-CB 4.47Å; W435-R442 HydrophobicContact CZ2-CG 4.15Å; R442-E498 IonicContact CZ-OE1 3.4Å; R442-E498 IonicContact NE-OE1 2.84Å; R442-E498 PolarHBondContact NE-OE1 3.26Å; R442-E498 IonicContact NE-OE2 3.96Å; R442-E498 IonicContact NH2-OE1 3.96Å; R442-E498 PolarHBondContact NH2-OE1 3.43Å; R442-E498 IonicContact NH2-OE2 2.62Å
443P94.5Very high96.2Very high18 Ų1826.2 Ų26.212%0.11713%0.125CC..THydrogen-bonded Turncis-100.613.818.340.1-31.4000113.7W435 V497 E498W435-P443 HydrophobicContact CH2-CB 3.55Å; W435-P443 HydrophobicContact CH2-CG 3.48Å; W435-P443 VanDerWaalsContact CH2-CG 3.48Å; W435-P443 HydrophobicContact CZ2-CB 3.93Å; W435-P443 HydrophobicContact CZ2-CG 4.35Å; W435-P443 HydrophobicContact CZ3-CB 4.24Å; W435-P443 HydrophobicContact CZ3-CG 3.79Å; P443-V497 WeakPolarHBondContact O-CG2 3.39Å; P443-V497 PolarHBondContact O-N 3.17Å; P443-E498 HydrophobicContact CB-CG 3.98Å
444N96.3Very high96.3Very high4 Ų423.6 Ų23.62%0.02111%0.112CC..EExtended strand (participates in β ladder)trans-80.7136.7-170.7-64.3-30.8000111.7T431 Q439 D441 Y495 G504 G505T431-N444 WeakPolarHBondContact CB-O 3.18Å; T431-N444 PolarHBondContact N-O 2.73Å; T431-N444 PolarHBondContact OG1-O 3.41Å; Q439-N444 WeakPolarHBondContact CA-ND2 3.26Å; Q439-N444 WeakPolarHBondContact O-CB 3.21Å; Q439-N444 PolarHBondContact O-ND2 2.65Å; D441-N444 WeakPolarHBondContact O-CB 3.17Å; D441-N444 PolarHBondContact O-N 3.39Å; N444-Y495 CarbonylContact C-O 3.45Å; N444-Y495 VanDerWaalsContact CA-O 3.32Å; N444-Y495 WeakPolarHBondContact CA-O 3.32Å; N444-G504 WeakPolarHBondContact OD1-CA 3.45Å; N444-G505 PolarHBondContact ND2-O 2.99Å; N444-G505 PolarHBondContact OD1-N 2.88Å
445G96.9Very high96.4Very high0 Ų022.1 Ų22.10%010%0.103CC..EExtended strand (participates in β ladder)trans-110.9145.4159.800000110.2W476 Y495G445-W476 WeakPolarHBondContact O-CH2 3.3Å; G445-Y495 PolarHBondContact N-O 3.28Å; G445-Y495 PolarHBondContact O-N 2.88Å; G445-Y495 VanDerWaalsContact O-N 3.08Å
446W98.1Very high96.6Very high2 Ų215.1 Ų15.11%0.0088%0.076CC..EExtended strand (participates in β ladder)trans-118142.1-179.2-67.372.5000110.2Q439 W440 L449 N450 E493 K494 W517Q439-W446 HydrophobicContact CB-CZ2 3.86Å; Q439-W446 HydrophobicContact CG-CH2 4.17Å; Q439-W446 HydrophobicContact CG-CZ2 3.77Å; Q439-W446 PolarHBondContact O-NE1 3.01Å; W440-W446 HydrophobicContact CD2-CD2 4.09Å; W440-W446 AromaticContact CD2-CE2 3.75Å; W440-W446 HydrophobicContact CD2-CG 4.37Å; W440-W446 HydrophobicContact CD2-CZ2 4.05Å; W440-W446 AromaticContact CD2-NE1 3.85Å; W440-W446 AromaticContact CE2-CD2 3.86Å; W440-W446 AromaticContact CE2-CE2 3.7Å; W440-W446 AromaticContact CE2-CE3 3.97Å; W440-W446 AromaticContact CE2-CH2 3.79Å; W440-W446 AromaticContact CE2-CZ2 3.69Å; W440-W446 AromaticContact CE2-CZ3 3.91Å; W440-W446 AromaticContact CE3-CD1 3.8Å; W440-W446 HydrophobicContact CE3-CD2 4.07Å; W440-W446 AromaticContact CE3-CG 3.9Å; W440-W446 HydrophobicContact CE3-CG 3.9Å; W440-W446 AromaticContact CE3-NE1 3.91Å; W440-W446 HydrophobicContact CG-CZ2 4.21Å; W440-W446 HydrophobicContact CH2-CB 3.97Å; W440-W446 AromaticContact CH2-CD2 3.57Å; W440-W446 HydrophobicContact CH2-CD2 3.57Å; W440-W446 AromaticContact CH2-CE3 3.57Å; W440-W446 HydrophobicContact CH2-CE3 3.57Å; W440-W446 AromaticContact CH2-CG 3.75Å; W440-W446 HydrophobicContact CH2-CG 3.75Å; W440-W446 HydrophobicContact CH2-CZ3 4.21Å; W440-W446 AromaticContact CZ2-CD2 3.6Å; W440-W446 HydrophobicContact CZ2-CD2 3.6Å; W440-W446 AromaticContact CZ2-CE2 3.95Å; W440-W446 AromaticContact CZ2-CE3 3.39Å; W440-W446 HydrophobicContact CZ2-CE3 3.39Å; W440-W446 HydrophobicContact CZ2-CG 4.25Å; W440-W446 AromaticContact CZ2-CH2 3.92Å; W440-W446 HydrophobicContact CZ2-CH2 3.92Å; W440-W446 HydrophobicContact CZ2-CZ2 4.13Å; W440-W446 AromaticContact CZ2-CZ3 3.53Å; W440-W446 HydrophobicContact CZ2-CZ3 3.53Å; W440-W446 HydrophobicContact CZ3-CB 3.78Å; W440-W446 AromaticContact CZ3-CD1 3.93Å; W440-W446 AromaticContact CZ3-CD2 3.82Å; W440-W446 HydrophobicContact CZ3-CD2 3.82Å; W440-W446 HydrophobicContact CZ3-CE3 4.3Å; W440-W446 AromaticContact CZ3-CG 3.57Å; W440-W446 HydrophobicContact CZ3-CG 3.57Å; W440-W446 AromaticContact NE1-CH2 3.7Å; W440-W446 AromaticContact NE1-CZ2 3.68Å; W446-L449 PolarHBondContact O-N 3.33Å; W446-N450 PolarHBondContact O-N 3.26Å; W446-N450 VanDerWaalsContact O-N 3.11Å; W446-N450 PolarHBondContact O-ND2 2.86Å; W446-N450 VanDerWaalsContact O-ND2 3.12Å; W446-E493 HydrophobicContact CE3-CG 4.31Å; W446-E493 HydrophobicContact CH2-CG 4.12Å; W446-E493 HydrophobicContact CZ3-CG 3.57Å; W446-K494 HydrophobicContact CD2-CB 3.84Å; W446-K494 HydrophobicContact CE3-CB 4.13Å; W446-K494 HydrophobicContact CG-CB 4.39Å; W446-K494 HydrophobicContact CH2-CB 4.24Å; W446-K494 HydrophobicContact CH2-CD 3.53Å; W446-K494 HydrophobicContact CH2-CG 4.4Å; W446-K494 HydrophobicContact CZ2-CB 3.9Å; W446-K494 HydrophobicContact CZ2-CD 3.63Å; W446-K494 HydrophobicContact CZ2-CG 4.11Å; W446-K494 HydrophobicContact CZ3-CB 4.34Å; W446-K494 HydrophobicContact CZ3-CD 4.13Å; W446-W517 HydrophobicContact CD2-CZ2 4.48Å; W446-W517 AromaticContact CE3-CH2 3.37Å; W446-W517 HydrophobicContact CE3-CH2 3.37Å; W446-W517 AromaticContact CE3-CZ2 3.13Å; W446-W517 HydrophobicContact CE3-CZ2 3.13Å; W446-W517 HydrophobicContact CE3-CZ3 4.49Å; W446-W517 AromaticContact CZ3-CH2 3.35Å; W446-W517 HydrophobicContact CZ3-CH2 3.35Å; W446-W517 AromaticContact CZ3-CZ2 3.17Å; W446-W517 HydrophobicContact CZ3-CZ2 3.17Å
447A98.3Very high96.7Very high0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-55.3-47.2179.700000112L449 H451 W476 V521A447-L449 PolarHBondContact O-N 3.38Å; A447-H451 WeakPolarHBondContact O-CB 3.46Å; A447-H451 PolarHBondContact O-N 2.65Å; A447-W476 VanDerWaalsContact CA-CZ2 3.49Å; A447-W476 HydrophobicContact CB-CZ2 3.82Å; A447-V521 HydrophobicContact CB-CB 4Å; A447-V521 HydrophobicContact CB-CG1 4.25Å; A447-V521 HydrophobicContact CB-CG2 3.89Å
448P98.3Very high96.9Very high0 Ų010 Ų100%04%0.043CC..Hα-helixtrans-46.8-51.4172.1-36.638.7000115.7W158 M452 W517W158-P448 HydrophobicContact CD2-CB 4.35Å; W158-P448 HydrophobicContact CD2-CG 4.14Å; W158-P448 HydrophobicContact CE3-CB 4.27Å; W158-P448 HydrophobicContact CE3-CG 3.85Å; W158-P448 HydrophobicContact CH2-CB 3.41Å; W158-P448 VanDerWaalsContact CH2-CB 3.41Å; W158-P448 HydrophobicContact CH2-CG 3.85Å; W158-P448 VanDerWaalsContact CZ2-CA 3.47Å; W158-P448 HydrophobicContact CZ2-CB 3.46Å; W158-P448 VanDerWaalsContact CZ2-CB 3.46Å; W158-P448 HydrophobicContact CZ2-CG 4.11Å; W158-P448 HydrophobicContact CZ3-CB 3.81Å; W158-P448 HydrophobicContact CZ3-CG 3.68Å; P448-M452 HydrophobicContact CB-CE 4.22Å; P448-M452 WeakPolarHBondContact O-CB 3.41Å; P448-M452 WeakPolarHBondContact O-CE 3.4Å; P448-M452 WeakPolarHBondContact O-CG 3.49Å; P448-M452 PolarHBondContact O-N 3.06Å; P448-W517 HydrophobicContact CG-CD2 3.6Å; P448-W517 HydrophobicContact CG-CE3 3.15Å; P448-W517 HydrophobicContact CG-CG 4.22Å; P448-W517 HydrophobicContact CG-CH2 4.36Å; P448-W517 HydrophobicContact CG-CZ3 3.57Å
449L98Very high96.8Very high8 Ų813.2 Ų13.24%0.0425%0.054CC..Hα-helixtrans-72.7-46.3-172.8-70.6171000111.9W296 I396 T431 W440 W446 A447 H451 M452 V453W296-L449 HydrophobicContact CH2-CD1 3.62Å; W296-L449 HydrophobicContact CH2-CD2 4.08Å; W296-L449 HydrophobicContact CH2-CG 4.5Å; W296-L449 HydrophobicContact CZ2-CD1 3.43Å; W296-L449 VanDerWaalsContact CZ2-CD1 3.43Å; W296-L449 HydrophobicContact CZ2-CD2 3.31Å; W296-L449 HydrophobicContact CZ2-CG 3.93Å; W296-L449 HydrophobicContact CZ3-CD1 4.43Å; I396-L449 HydrophobicContact CD1-CD2 4.46Å; T431-L449 HydrophobicContact CG2-CD1 3.74Å; W440-L449 HydrophobicContact CE3-CD1 3.97Å; W440-L449 HydrophobicContact CZ3-CD1 3.69Å; W440-L449 HydrophobicContact CZ3-CG 4.12Å; W446-L449 PolarHBondContact O-N 3.33Å; A447-L449 PolarHBondContact O-N 3.38Å; L449-H451 VanDerWaalsContact C-N 3.27Å; L449-H451 PolarHBondContact O-N 3Å; L449-M452 HydrophobicContact CD2-CE 4.01Å; L449-M452 PolarHBondContact O-N 3.03Å; L449-V453 VanDerWaalsContact O-CG2 3.31Å; L449-V453 WeakPolarHBondContact O-CG2 3.36Å; L449-V453 PolarHBondContact O-N 2.87Å; L449-V453 VanDerWaalsContact O-N 3.08Å
450N97.7Very high96.6Very high0 Ų013.3 Ų13.30%05%0.054CC..Hα-helixtrans-58.8-46.2176-81-89.6000110L429 W446 V453 I454 W476L429-N450 PolarHBondContact N-OD1 3.1Å; L429-N450 PolarHBondContact O-ND2 2.85Å; L429-N450 VanDerWaalsContact O-ND2 3.15Å; W446-N450 PolarHBondContact O-N 3.26Å; W446-N450 VanDerWaalsContact O-N 3.11Å; W446-N450 PolarHBondContact O-ND2 2.86Å; W446-N450 VanDerWaalsContact O-ND2 3.12Å; N450-V453 PolarHBondContact O-N 2.91Å; N450-I454 HydrophobicContact CB-CD1 4.48Å; N450-I454 WeakPolarHBondContact O-CB 3.38Å; N450-I454 VanDerWaalsContact O-CD1 3.25Å; N450-I454 WeakPolarHBondContact O-CD1 3.46Å; N450-I454 WeakPolarHBondContact O-CG1 3.43Å; N450-I454 PolarHBondContact O-N 2.9Å; N450-W476 HydrophobicContact CB-CD2 3.91Å; N450-W476 HydrophobicContact CB-CE3 4.02Å; N450-W476 HydrophobicContact CB-CG 4.24Å; N450-W476 WeakPolarHBondContact ND2-CZ3 3.46Å
451H98.4Very high96.2Very high1 Ų121.1 Ų21.11%0.0059%0.091CC..Hα-helixtrans-60.4-50.5178.4-178.3-89.8000113.1W158 K161 A447 L449 V453 I454 E455 V521 D524W158-H451 AromaticContact CD1-CG 3.85Å; W158-H451 AromaticContact CD1-ND1 3.68Å; W158-H451 AromaticContact NE1-CG 3.59Å; W158-H451 AromaticContact NE1-ND1 3.2Å; W158-H451 PolarHBondContact NE1-ND1 3.35Å; K161-H451 PolarHBondContact NZ-CE1 3.3Å; A447-H451 WeakPolarHBondContact O-CB 3.46Å; A447-H451 PolarHBondContact O-N 2.65Å; L449-H451 VanDerWaalsContact C-N 3.27Å; L449-H451 PolarHBondContact O-N 3Å; H451-V453 VanDerWaalsContact C-N 3.31Å; H451-V453 PolarHBondContact O-N 3.4Å; H451-I454 PolarHBondContact O-N 3.17Å; H451-E455 IonicContact CE1-OE2 2.89Å; H451-E455 IonicContact NE2-OE2 2.7Å; H451-E455 VanDerWaalsContact O-CB 3.23Å; H451-E455 WeakPolarHBondContact O-CB 3.27Å; H451-E455 PolarHBondContact O-N 3.22Å; H451-V521 HydrophobicContact CB-CB 4.36Å; H451-V521 HydrophobicContact CB-CG1 3.85Å; H451-V521 HydrophobicContact CB-CG2 3.57Å; H451-D524 IonicContact CD2-OD2 2.62Å; H451-D524 IonicContact CE1-OD2 3.4Å; H451-D524 IonicContact NE2-OD2 3.39Å; H451-D524 PolarHBondContact NE2-OD2 3.34Å
452M98.3Very high96Very high2 Ų223.7 Ų23.71%0.0111%0.105CC..Hα-helixtrans-60.8-40.7-179.5-74.8-176.7-71.800112W158 F329 I396 F399 P448 L449 E455 G456W158-M452 HydrophobicContact CH2-CE 4.22Å; W158-M452 HydrophobicContact CH2-SD 4.48Å; W158-M452 HydrophobicContact CZ2-CE 3.95Å; W158-M452 HydrophobicContact CZ2-CG 4.02Å; W158-M452 HydrophobicContact CZ2-SD 4Å; F329-M452 HydrophobicContact CE1-SD 3.73Å; F329-M452 HydrophobicContact CZ-CE 4.38Å; F329-M452 HydrophobicContact CZ-SD 3.77Å; I396-M452 HydrophobicContact CD1-CB 3.64Å; I396-M452 HydrophobicContact CD1-CE 3.63Å; I396-M452 HydrophobicContact CD1-CG 4.26Å; I396-M452 HydrophobicContact CD1-SD 3.67Å; F399-M452 HydrophobicContact CB-CB 4.05Å; F399-M452 WeakPolarHBondContact CB-O 3.42Å; F399-M452 HydrophobicContact CD1-CB 4.37Å; F399-M452 HydrophobicContact CD1-CG 3.94Å; F399-M452 HydrophobicContact CD1-SD 3.99Å; F399-M452 HydrophobicContact CD2-CB 4.17Å; F399-M452 HydrophobicContact CD2-CG 4.07Å; F399-M452 HydrophobicContact CE1-CG 4.13Å; F399-M452 HydrophobicContact CE1-SD 4.14Å; F399-M452 HydrophobicContact CE2-CG 4.24Å; F399-M452 HydrophobicContact CG-CB 3.94Å; F399-M452 HydrophobicContact CG-CG 3.91Å; F399-M452 HydrophobicContact CZ-CG 4.28Å; P448-M452 HydrophobicContact CB-CE 4.22Å; P448-M452 WeakPolarHBondContact O-CB 3.41Å; P448-M452 WeakPolarHBondContact O-CE 3.4Å; P448-M452 WeakPolarHBondContact O-CG 3.49Å; P448-M452 PolarHBondContact O-N 3.06Å; L449-M452 HydrophobicContact CD2-CE 4.01Å; L449-M452 PolarHBondContact O-N 3.03Å; M452-E455 PolarHBondContact O-N 2.91Å; M452-G456 PolarHBondContact O-N 2.78Å
453V97.3Very high96Very high1 Ų124.9 Ų24.91%0.00612%0.121CC..Hα-helixtrans-66.9-46.9177.2178.40000111.2L395 L429 L449 N450 H451 E455 G456 L457 L472L395-V453 HydrophobicContact CB-CG2 3.72Å; L395-V453 HydrophobicContact CD1-CG1 3.98Å; L395-V453 HydrophobicContact CD1-CG2 3.68Å; L395-V453 HydrophobicContact CG-CG2 4.36Å; L429-V453 HydrophobicContact CD1-CB 3.83Å; L429-V453 HydrophobicContact CD1-CG1 3.57Å; L429-V453 HydrophobicContact CD1-CG2 3.99Å; L449-V453 VanDerWaalsContact O-CG2 3.31Å; L449-V453 WeakPolarHBondContact O-CG2 3.36Å; L449-V453 PolarHBondContact O-N 2.87Å; L449-V453 VanDerWaalsContact O-N 3.08Å; N450-V453 PolarHBondContact O-N 2.91Å; H451-V453 VanDerWaalsContact C-N 3.31Å; H451-V453 PolarHBondContact O-N 3.4Å; V453-E455 VanDerWaalsContact C-N 3.31Å; V453-E455 PolarHBondContact O-N 3.37Å; V453-G456 PolarHBondContact O-N 3.09Å; V453-L457 HydrophobicContact CG1-CD1 3.85Å; V453-L457 HydrophobicContact CG1-CG 4.36Å; V453-L457 VanDerWaalsContact O-CG 3.31Å; V453-L457 WeakPolarHBondContact O-CG 3.31Å; V453-L457 PolarHBondContact O-N 3.12Å; V453-L472 HydrophobicContact CG1-CD1 4.37Å
454I97.8Very high95.9Very high1 Ų131.2 Ų31.21%0.00515%0.149CC..Hα-helixtrans-58.3-45.2176.1-69160000110.6N450 H451 L457 R458 A469 L472 A473 L525 Y529N450-I454 HydrophobicContact CB-CD1 4.48Å; N450-I454 WeakPolarHBondContact O-CB 3.38Å; N450-I454 VanDerWaalsContact O-CD1 3.25Å; N450-I454 WeakPolarHBondContact O-CD1 3.46Å; N450-I454 WeakPolarHBondContact O-CG1 3.43Å; N450-I454 PolarHBondContact O-N 2.9Å; H451-I454 PolarHBondContact O-N 3.17Å; I454-L457 PolarHBondContact O-N 3Å; I454-R458 WeakPolarHBondContact O-CB 3.33Å; I454-R458 PolarHBondContact O-N 3.39Å; I454-A469 HydrophobicContact CG2-CB 4.45Å; I454-L472 HydrophobicContact CD1-CB 4.24Å; I454-L472 HydrophobicContact CG1-CB 3.76Å; I454-A473 HydrophobicContact CD1-CB 4Å; I454-A473 HydrophobicContact CG2-CB 4.07Å; I454-L525 HydrophobicContact CB-CD2 4.5Å; I454-L525 HydrophobicContact CD1-CD1 3.97Å; I454-L525 HydrophobicContact CD1-CD2 4.39Å; I454-L525 HydrophobicContact CG2-CD2 3.73Å; I454-Y529 HydrophobicContact CG2-CE2 3.98Å
455E96.6Very high95.8Very high4 Ų431.2 Ų31.22%0.01915%0.149CC..Hα-helixtrans-64.3-39.5178.3179.976.9-135.300112K161 F399 H451 M452 V453 R458 R459K161-E455 IonicContact NZ-OE2 3.42Å; K161-E455 PolarHBondContact NZ-OE2 3.28Å; K161-E455 VanDerWaalsContact NZ-OE2 3.08Å; F399-E455 HydrophobicContact CD2-CB 3.94Å; F399-E455 HydrophobicContact CD2-CG 3.67Å; F399-E455 HydrophobicContact CE2-CB 4.32Å; F399-E455 HydrophobicContact CE2-CG 3.8Å; H451-E455 IonicContact CE1-OE2 2.89Å; H451-E455 IonicContact NE2-OE2 2.7Å; H451-E455 VanDerWaalsContact O-CB 3.23Å; H451-E455 WeakPolarHBondContact O-CB 3.27Å; H451-E455 PolarHBondContact O-N 3.22Å; M452-E455 PolarHBondContact O-N 2.91Å; V453-E455 VanDerWaalsContact C-N 3.31Å; V453-E455 PolarHBondContact O-N 3.37Å; E455-R458 VanDerWaalsContact CD-CZ 3.41Å; E455-R458 WeakPolarHBondContact O-CG 3.35Å; E455-R458 IonicContact OE1-CZ 2.74Å; E455-R458 IonicContact OE1-NE 2.77Å; E455-R458 PolarHBondContact OE1-NE 3.36Å; E455-R458 IonicContact OE1-NH2 3.19Å; E455-R458 PolarHBondContact OE1-NH2 2.71Å; E455-R458 IonicContact OE2-CZ 2.58Å; E455-R458 IonicContact OE2-NE 2.73Å; E455-R458 PolarHBondContact OE2-NE 3.34Å; E455-R458 VanDerWaalsContact OE2-NE 3.17Å; E455-R458 IonicContact OE2-NH2 3.09Å; E455-R458 PolarHBondContact OE2-NH2 3.06Å; E455-R459 VanDerWaalsContact O-CG 3.29Å; E455-R459 WeakPolarHBondContact O-CG 3.23Å; E455-R459 PolarHBondContact O-N 3.22Å; E455-R459 IonicContact OE1-CZ 3.17Å; E455-R459 IonicContact OE1-NE 3.18Å; E455-R459 PolarHBondContact OE1-NE 3.08Å; E455-R459 IonicContact OE1-NH2 2.83Å; E455-R459 PolarHBondContact OE1-NH2 3.32Å
456G95.9Very high95.8Very high0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-62.8-47.2175.800000112L398 M452 V453L398-G456 WeakPolarHBondContact O-CA 3.16Å; M452-G456 PolarHBondContact O-N 2.78Å; V453-G456 PolarHBondContact O-N 3.09Å
457L95.5Very high95.7Very high1 Ų138.5 Ų38.51%0.00518%0.183CC..Hα-helixtrans-70.3-38.8-180-63.7171000112.2L398 M414 V453 I454 R459 S460 V465 V468 A469 L472L398-L457 HydrophobicContact CD1-CD2 3.66Å; L398-L457 HydrophobicContact CD1-CG 4.26Å; M414-L457 HydrophobicContact SD-CD2 4.36Å; V453-L457 HydrophobicContact CG1-CD1 3.85Å; V453-L457 HydrophobicContact CG1-CG 4.36Å; V453-L457 VanDerWaalsContact O-CG 3.31Å; V453-L457 WeakPolarHBondContact O-CG 3.31Å; V453-L457 PolarHBondContact O-N 3.12Å; I454-L457 PolarHBondContact O-N 3Å; L457-R459 PolarHBondContact O-N 3.5Å; L457-S460 WeakPolarHBondContact O-CB 3.47Å; L457-S460 PolarHBondContact O-N 2.99Å; L457-S460 VanDerWaalsContact O-N 3.11Å; L457-V465 HydrophobicContact CB-CG1 4.06Å; L457-V465 HydrophobicContact CD2-CG1 3.66Å; L457-V465 HydrophobicContact CG-CG1 4.46Å; L457-V468 HydrophobicContact CD1-CG1 4.18Å; L457-A469 HydrophobicContact CB-CB 3.65Å; L457-L472 HydrophobicContact CD1-CD1 3.85Å
458R95.2Very high95.5Very high66 Ų6640 Ų4025%0.24919%0.192CC..Hα-helixtrans-65.7-26.1-178.786.2-177.2-175.8158-4.2113.3I454 E455 S460 A469 T528 Y529I454-R458 WeakPolarHBondContact O-CB 3.33Å; I454-R458 PolarHBondContact O-N 3.39Å; E455-R458 VanDerWaalsContact CD-CZ 3.41Å; E455-R458 WeakPolarHBondContact O-CG 3.35Å; E455-R458 IonicContact OE1-CZ 2.74Å; E455-R458 IonicContact OE1-NE 2.77Å; E455-R458 PolarHBondContact OE1-NE 3.36Å; E455-R458 IonicContact OE1-NH2 3.19Å; E455-R458 PolarHBondContact OE1-NH2 2.71Å; E455-R458 IonicContact OE2-CZ 2.58Å; E455-R458 IonicContact OE2-NE 2.73Å; E455-R458 PolarHBondContact OE2-NE 3.34Å; E455-R458 VanDerWaalsContact OE2-NE 3.17Å; E455-R458 IonicContact OE2-NH2 3.09Å; E455-R458 PolarHBondContact OE2-NH2 3.06Å; R458-S460 PolarHBondContact O-N 3.31Å; R458-A469 HydrophobicContact CB-CB 4.01Å; R458-T528 PolarHBondContact NH1-OG1 3.38Å; R458-Y529 VanDerWaalsContact CB-OH 3.26Å; R458-Y529 WeakPolarHBondContact CB-OH 2.97Å
459R93.1Very high95.5Very high98 Ų9840 Ų4037%0.3719%0.192SC..THydrogen-bonded Turntrans-77.7-7.4178.8-72.4173.6-176.7-174.4-1.7112.9F399 E455 L457F399-R459 PolarHBondContact O-NH1 3.29Å; E455-R459 VanDerWaalsContact O-CG 3.29Å; E455-R459 WeakPolarHBondContact O-CG 3.23Å; E455-R459 PolarHBondContact O-N 3.22Å; E455-R459 IonicContact OE1-CZ 3.17Å; E455-R459 IonicContact OE1-NE 3.18Å; E455-R459 PolarHBondContact OE1-NE 3.08Å; E455-R459 IonicContact OE1-NH2 2.83Å; E455-R459 PolarHBondContact OE1-NH2 3.32Å; L457-R459 PolarHBondContact O-N 3.5Å
460S92.5Very high95.4Very high3 Ų340.2 Ų40.22%0.02119%0.193CC..  trans-58.1149.4174.1174.90000111.7E410 L457 R458 N462 Q466E410-S460 VanDerWaalsContact OE1-CA 3.26Å; E410-S460 WeakPolarHBondContact OE1-CA 3.46Å; E410-S460 WeakPolarHBondContact OE1-CB 3.39Å; E410-S460 PolarHBondContact OE1-OG 3.42Å; E410-S460 PolarHBondContact OE2-OG 3.2Å; L457-S460 WeakPolarHBondContact O-CB 3.47Å; L457-S460 PolarHBondContact O-N 2.99Å; L457-S460 VanDerWaalsContact O-N 3.11Å; R458-S460 PolarHBondContact O-N 3.31Å; S460-N462 VanDerWaalsContact C-N 3.34Å; S460-N462 WeakPolarHBondContact OG-CB 3.25Å; S460-N462 PolarHBondContact OG-N 2.96Å; S460-Q466 PolarHBondContact O-NE2 3.14Å
461Q89.9Confident95.4Very high168 Ų16843.6 Ų43.679%0.78521%0.209SC*.SBendtrans-84.6-7.2166.7-60.9-169.121.600113.5P463Q461-P463 WeakPolarHBondContact O-CD 3.45Å
462N93Very high95.3Very high53 Ų5343.7 Ų43.728%0.28321%0.21SC..  trans-87.7118.1-179.9-175.8-19.7000111S460 E464 V465 Q466S460-N462 VanDerWaalsContact C-N 3.34Å; S460-N462 WeakPolarHBondContact OG-CB 3.25Å; S460-N462 PolarHBondContact OG-N 2.96Å; N462-E464 VanDerWaalsContact C-N 3.28Å; N462-E464 PolarHBondContact O-N 3.44Å; N462-E464 WeakPolarHBondContact OD1-CB 3.2Å; N462-E464 PolarHBondContact OD1-N 3.37Å; N462-V465 HydrophobicContact CB-CB 4.11Å; N462-V465 HydrophobicContact CB-CG2 3.77Å; N462-V465 PolarHBondContact O-N 3.18Å; N462-V465 VanDerWaalsContact O-N 3.15Å; N462-Q466 WeakPolarHBondContact O-CG 3.42Å; N462-Q466 PolarHBondContact O-N 3.11Å
463P93.5Very high95.2Very high92 Ų9243.6 Ų43.660%0.59721%0.209SC*.Hα-helixtrans-58.4-33.5179.1-25.435.3000114.6Q461 V465 Q466 E467Q461-P463 WeakPolarHBondContact O-CD 3.45Å; P463-V465 VanDerWaalsContact C-N 3.34Å; P463-Q466 PolarHBondContact O-N 3.47Å; P463-E467 PolarHBondContact O-N 3.18Å
464E93.7Very high95.2Very high152 Ų15246.3 Ų46.371%0.7122%0.221SC*.Hα-helixtrans-67.5-37.9178.8-64.4-179.6177.400111.4N462 E467 V468N462-E464 VanDerWaalsContact C-N 3.28Å; N462-E464 PolarHBondContact O-N 3.44Å; N462-E464 WeakPolarHBondContact OD1-CB 3.2Å; N462-E464 PolarHBondContact OD1-N 3.37Å; E464-E467 WeakPolarHBondContact O-CB 3.37Å; E464-E467 PolarHBondContact O-N 2.9Å; E464-V468 WeakPolarHBondContact O-CG2 3.32Å; E464-V468 PolarHBondContact O-N 3.09Å; E464-V468 VanDerWaalsContact O-N 3.16Å
465V94.5Very high95Very high3 Ų348.2 Ų48.22%0.01823%0.229CC..Hα-helixtrans-70.6-41176.9179.90000110.5E410 M414 L457 N462 P463 E467 V468 A469E410-V465 HydrophobicContact CB-CG2 4.11Å; M414-V465 HydrophobicContact CG-CG2 4.04Å; L457-V465 HydrophobicContact CB-CG1 4.06Å; L457-V465 HydrophobicContact CD2-CG1 3.66Å; L457-V465 HydrophobicContact CG-CG1 4.46Å; N462-V465 HydrophobicContact CB-CB 4.11Å; N462-V465 HydrophobicContact CB-CG2 3.77Å; N462-V465 PolarHBondContact O-N 3.18Å; N462-V465 VanDerWaalsContact O-N 3.15Å; P463-V465 VanDerWaalsContact C-N 3.34Å; V465-E467 VanDerWaalsContact C-N 3.25Å; V465-E467 PolarHBondContact O-N 3.21Å; V465-V468 PolarHBondContact O-N 3.3Å; V465-A469 PolarHBondContact O-N 2.74Å
466Q95.5Very high95Very high79 Ų7948 Ų4837%0.36923%0.228SC..Hα-helixtrans-60.8-36.1172.6-68.7-179.70.300111.9S460 N462 P463 A469 F470S460-Q466 PolarHBondContact O-NE2 3.14Å; N462-Q466 WeakPolarHBondContact O-CG 3.42Å; N462-Q466 PolarHBondContact O-N 3.11Å; P463-Q466 PolarHBondContact O-N 3.47Å; Q466-A469 WeakPolarHBondContact O-CB 3.22Å; Q466-A469 PolarHBondContact O-N 2.87Å; Q466-F470 PolarHBondContact O-N 2.92Å
467E96.3Very high94.9Very high76 Ų7648 Ų4836%0.35523%0.228SC..Hα-helixtrans-66.7-39177-166.259-15900112.1P463 E464 V465 A469 F470 E471 R532P463-E467 PolarHBondContact O-N 3.18Å; E464-E467 WeakPolarHBondContact O-CB 3.37Å; E464-E467 PolarHBondContact O-N 2.9Å; V465-E467 VanDerWaalsContact C-N 3.25Å; V465-E467 PolarHBondContact O-N 3.21Å; E467-A469 VanDerWaalsContact C-N 3.31Å; E467-A469 PolarHBondContact O-N 3.48Å; E467-F470 WeakPolarHBondContact O-CB 3.5Å; E467-F470 PolarHBondContact O-N 3.49Å; E467-E471 PolarHBondContact O-N 3.19Å; E467-R532 IonicContact OE1-NH2 3.42Å; E467-R532 PolarHBondContact OE1-NH2 3.43Å; E467-R532 IonicContact OE2-CZ 3.51Å; E467-R532 IonicContact OE2-NH1 2.9Å; E467-R532 PolarHBondContact OE2-NH1 3.05Å; E467-R532 IonicContact OE2-NH2 2.92Å; E467-R532 PolarHBondContact OE2-NH2 2.75Å
468V95.5Very high94.8Very high31 Ų3149.2 Ų49.219%0.18823%0.234CC..Hα-helixtrans-63.3-40.5173.4174.30000110.8M414 L423 L457 E464 V465 F470 E471 L472M414-V468 HydrophobicContact CE-CB 3.93Å; M414-V468 HydrophobicContact CE-CG1 3.74Å; M414-V468 HydrophobicContact CE-CG2 3.27Å; M414-V468 HydrophobicContact SD-CB 4.08Å; M414-V468 HydrophobicContact SD-CG1 3.92Å; M414-V468 HydrophobicContact SD-CG2 3.96Å; L423-V468 HydrophobicContact CD1-CG1 4.41Å; L423-V468 HydrophobicContact CD2-CG1 3.92Å; L457-V468 HydrophobicContact CD1-CG1 4.18Å; E464-V468 WeakPolarHBondContact O-CG2 3.32Å; E464-V468 PolarHBondContact O-N 3.09Å; E464-V468 VanDerWaalsContact O-N 3.16Å; V465-V468 PolarHBondContact O-N 3.3Å; V468-F470 VanDerWaalsContact C-N 3.29Å; V468-F470 PolarHBondContact O-N 2.85Å; V468-E471 PolarHBondContact O-N 2.84Å; V468-L472 HydrophobicContact CG1-CD1 4.21Å; V468-L472 HydrophobicContact CG1-CG 4.44Å; V468-L472 WeakPolarHBondContact O-CG 3.48Å; V468-L472 PolarHBondContact O-N 3.08Å
469A96.8Very high94.6Very high0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-59-42.7174.600000111.6I454 L457 R458 V465 Q466 E467 A473I454-A469 HydrophobicContact CG2-CB 4.45Å; L457-A469 HydrophobicContact CB-CB 3.65Å; R458-A469 HydrophobicContact CB-CB 4.01Å; V465-A469 PolarHBondContact O-N 2.74Å; Q466-A469 WeakPolarHBondContact O-CB 3.22Å; Q466-A469 PolarHBondContact O-N 2.87Å; E467-A469 VanDerWaalsContact C-N 3.31Å; E467-A469 PolarHBondContact O-N 3.48Å; A469-A473 WeakPolarHBondContact O-CB 3.34Å; A469-A473 PolarHBondContact O-N 3.21Å
470F97.3Very high94.7Very high14 Ų1441.4 Ų41.46%0.06120%0.204CC..Hα-helixtrans-63.5-47.6175.5170.3-105000112.1Q466 E467 V468 L472 A473 K474 Y529 R532 L533Q466-F470 PolarHBondContact O-N 2.92Å; E467-F470 WeakPolarHBondContact O-CB 3.5Å; E467-F470 PolarHBondContact O-N 3.49Å; V468-F470 VanDerWaalsContact C-N 3.29Å; V468-F470 PolarHBondContact O-N 2.85Å; F470-L472 VanDerWaalsContact C-N 3.33Å; F470-L472 PolarHBondContact O-N 3.47Å; F470-A473 WeakPolarHBondContact O-CB 3.22Å; F470-A473 PolarHBondContact O-N 3.47Å; F470-K474 HydrophobicContact CE1-CD 4.35Å; F470-K474 HydrophobicContact CZ-CD 4.42Å; F470-K474 WeakPolarHBondContact O-CB 3.33Å; F470-K474 PolarHBondContact O-N 2.92Å; F470-Y529 HydrophobicContact CB-CD1 4.35Å; F470-Y529 HydrophobicContact CB-CE1 4.07Å; F470-Y529 AromaticContact CD2-CD1 3.64Å; F470-Y529 HydrophobicContact CD2-CD1 3.64Å; F470-Y529 HydrophobicContact CD2-CE1 4.21Å; F470-Y529 AromaticContact CD2-CG 3.89Å; F470-Y529 HydrophobicContact CD2-CG 3.89Å; F470-Y529 HydrophobicContact CG-CD1 4.47Å; F470-R532 HydrophobicContact CD2-CB 4.41Å; F470-R532 HydrophobicContact CE2-CB 3.6Å; F470-R532 HydrophobicContact CZ-CB 3.91Å; F470-L533 HydrophobicContact CE2-CD2 3.93Å; F470-L533 HydrophobicContact CE2-CG 4.26Å; F470-L533 HydrophobicContact CZ-CD2 4.43Å
471E96.1Very high94.6Very high70 Ų7042 Ų4233%0.32721%0.206SC..Hα-helixtrans-63.7-37.7179.9-74.6-60136.500112.2E467 V468 K474 K475E467-E471 PolarHBondContact O-N 3.19Å; V468-E471 PolarHBondContact O-N 2.84Å; E471-K474 PolarHBondContact O-N 2.82Å; E471-K474 IonicContact OE1-NZ 3.84Å; E471-K474 IonicContact OE2-NZ 3.57Å; E471-K475 WeakPolarHBondContact O-CG 3.27Å; E471-K475 PolarHBondContact O-N 3.43Å
472L96.4Very high94.3Very high4 Ų434.5 Ų34.52%0.02118%0.175CC..Hα-helixtrans-64.3-44172.4-71.8176.5000112.1L423 L429 V453 I454 L457 V468 F470 K474 K475 W476L423-L472 HydrophobicContact CD2-CD1 4.32Å; L423-L472 HydrophobicContact CD2-CD2 4.17Å; L423-L472 HydrophobicContact CD2-CG 4.48Å; L429-L472 HydrophobicContact CD1-CD1 4.15Å; L429-L472 HydrophobicContact CD2-CD2 3.92Å; L429-L472 HydrophobicContact CG-CD1 4.46Å; L429-L472 HydrophobicContact CG-CD2 4.01Å; V453-L472 HydrophobicContact CG1-CD1 4.37Å; I454-L472 HydrophobicContact CD1-CB 4.24Å; I454-L472 HydrophobicContact CG1-CB 3.76Å; L457-L472 HydrophobicContact CD1-CD1 3.85Å; V468-L472 HydrophobicContact CG1-CD1 4.21Å; V468-L472 HydrophobicContact CG1-CG 4.44Å; V468-L472 WeakPolarHBondContact O-CG 3.48Å; V468-L472 PolarHBondContact O-N 3.08Å; F470-L472 VanDerWaalsContact C-N 3.33Å; F470-L472 PolarHBondContact O-N 3.47Å; L472-K474 VanDerWaalsContact C-N 3.34Å; L472-K474 PolarHBondContact O-N 2.73Å; L472-K475 PolarHBondContact O-N 2.98Å; L472-W476 WeakPolarHBondContact O-CB 3.39Å; L472-W476 PolarHBondContact O-N 3.27Å
473A97.3Very high93.9Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-61.6-43.7176.700000111.9I454 A469 F470 W476 L477 L525 Y529I454-A473 HydrophobicContact CD1-CB 4Å; I454-A473 HydrophobicContact CG2-CB 4.07Å; A469-A473 WeakPolarHBondContact O-CB 3.34Å; A469-A473 PolarHBondContact O-N 3.21Å; F470-A473 WeakPolarHBondContact O-CB 3.22Å; F470-A473 PolarHBondContact O-N 3.47Å; A473-W476 PolarHBondContact O-N 3.48Å; A473-L477 WeakPolarHBondContact O-CB 3.46Å; A473-L477 VanDerWaalsContact O-CG 3.27Å; A473-L477 WeakPolarHBondContact O-CG 3.28Å; A473-L477 PolarHBondContact O-N 3.21Å; A473-L525 HydrophobicContact CB-CD1 4.32Å; A473-L525 HydrophobicContact CB-CD2 4.17Å; A473-Y529 HydrophobicContact CB-CD2 3.55Å; A473-Y529 HydrophobicContact CB-CE2 3.52Å
474K95.8Very high93.5Very high58 Ų5827.9 Ų27.925%0.25213%0.134SC..Hα-helixtrans-58.6-53.6176177.2-177164-1580111F470 E471 L472 W476 L477 E478 L533F470-K474 HydrophobicContact CE1-CD 4.35Å; F470-K474 HydrophobicContact CZ-CD 4.42Å; F470-K474 WeakPolarHBondContact O-CB 3.33Å; F470-K474 PolarHBondContact O-N 2.92Å; E471-K474 PolarHBondContact O-N 2.82Å; E471-K474 IonicContact OE1-NZ 3.84Å; E471-K474 IonicContact OE2-NZ 3.57Å; L472-K474 VanDerWaalsContact C-N 3.34Å; L472-K474 PolarHBondContact O-N 2.73Å; K474-W476 VanDerWaalsContact C-N 3.3Å; K474-W476 PolarHBondContact O-N 3.42Å; K474-L477 PolarHBondContact O-N 3.02Å; K474-E478 WeakPolarHBondContact CE-OE1 3.37Å; K474-E478 HydrophobicContact CG-CG 4.38Å; K474-E478 VanDerWaalsContact CG-OE1 3.23Å; K474-E478 WeakPolarHBondContact CG-OE1 3.33Å; K474-E478 WeakPolarHBondContact O-CB 3.19Å; K474-E478 WeakPolarHBondContact O-CG 3.49Å; K474-E478 PolarHBondContact O-N 3.36Å; K474-L533 HydrophobicContact CB-CD2 4.04Å; K474-L533 HydrophobicContact CG-CD2 4.31Å
475K94.1Very high92.6Very high41 Ų4122 Ų2218%0.17811%0.107CC..Hα-helixtrans-55.5-43.6177.8-73.9178.5174.9-164.80112.9L423 M425 E471 L472 L479L423-K475 PolarHBondContact O-NZ 3.02Å; M425-K475 PolarHBondContact O-NZ 2.9Å; E471-K475 WeakPolarHBondContact O-CG 3.27Å; E471-K475 PolarHBondContact O-N 3.43Å; L472-K475 PolarHBondContact O-N 2.98Å; K475-L479 PolarHBondContact O-N 3.06Å; K475-L479 VanDerWaalsContact O-N 3.12Å
476W96.1Very high91.5Very high0 Ų030.3 Ų30.30%014%0.138CC..Hα-helixtrans-66.5-45.9179.8-176.7-102.4000112.4G445 A447 N450 L472 A473 K474 L479 N480 Y495 V497G445-W476 WeakPolarHBondContact O-CH2 3.3Å; A447-W476 VanDerWaalsContact CA-CZ2 3.49Å; A447-W476 HydrophobicContact CB-CZ2 3.82Å; N450-W476 HydrophobicContact CB-CD2 3.91Å; N450-W476 HydrophobicContact CB-CE3 4.02Å; N450-W476 HydrophobicContact CB-CG 4.24Å; N450-W476 WeakPolarHBondContact ND2-CZ3 3.46Å; L472-W476 WeakPolarHBondContact O-CB 3.39Å; L472-W476 PolarHBondContact O-N 3.27Å; A473-W476 PolarHBondContact O-N 3.48Å; K474-W476 VanDerWaalsContact C-N 3.3Å; K474-W476 PolarHBondContact O-N 3.42Å; W476-L479 HydrophobicContact CE3-CD2 4.29Å; W476-L479 HydrophobicContact CZ3-CD2 4.11Å; W476-L479 WeakPolarHBondContact O-CB 3.12Å; W476-L479 PolarHBondContact O-N 3.09Å; W476-N480 PolarHBondContact NE1-OD1 2.96Å; W476-N480 PolarHBondContact O-N 2.65Å; W476-N480 PolarHBondContact O-ND2 2.96Å; W476-Y495 AromaticContact CH2-CD2 3.9Å; W476-Y495 HydrophobicContact CH2-CD2 3.9Å; W476-Y495 HydrophobicContact CH2-CG 4.35Å; W476-Y495 HydrophobicContact CZ2-CD2 4.07Å; W476-V497 HydrophobicContact CZ3-CG1 3.97Å
477L95.7Very high90.4Very high0 Ų028.2 Ų28.20%013%0.131CC..Hα-helixtrans-67-38.2178.2-70.3173.6000112.1W106 A473 K474 L479 N480 F481 A522 L525 L526 L533W106-L477 HydrophobicContact CH2-CD2 4.1Å; W106-L477 HydrophobicContact CZ3-CB 4.42Å; W106-L477 HydrophobicContact CZ3-CD2 3.89Å; A473-L477 WeakPolarHBondContact O-CB 3.46Å; A473-L477 VanDerWaalsContact O-CG 3.27Å; A473-L477 WeakPolarHBondContact O-CG 3.28Å; A473-L477 PolarHBondContact O-N 3.21Å; K474-L477 PolarHBondContact O-N 3.02Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-L479 PolarHBondContact O-N 2.92Å; L477-N480 PolarHBondContact O-N 3Å; L477-F481 WeakPolarHBondContact O-CB 3.3Å; L477-F481 PolarHBondContact O-N 3.11Å; L477-A522 HydrophobicContact CD2-CB 4.1Å; L477-L525 HydrophobicContact CD1-CB 3.9Å; L477-L525 HydrophobicContact CD2-CB 4.12Å; L477-L525 HydrophobicContact CG-CB 4.22Å; L477-L525 HydrophobicContact CG-CD1 4.47Å; L477-L526 HydrophobicContact CD1-CD2 4.08Å; L477-L526 HydrophobicContact CD1-CG 4.26Å; L477-L526 HydrophobicContact CD2-CG 4.1Å; L477-L533 HydrophobicContact CD1-CD1 3.39Å; L477-L533 HydrophobicContact CD1-CD2 4.29Å; L477-L533 HydrophobicContact CD1-CG 4.49Å
478E92.1Very high88.9Confident26 Ų2626.3 Ų26.312%0.12113%0.132CC..Hα-helixtrans-59-45173.6-74.4175178.700111.8Y103 K474 G482 P536Y103-E478 WeakPolarHBondContact OH-CG 3.5Å; K474-E478 WeakPolarHBondContact CE-OE1 3.37Å; K474-E478 HydrophobicContact CG-CG 4.38Å; K474-E478 VanDerWaalsContact CG-OE1 3.23Å; K474-E478 WeakPolarHBondContact CG-OE1 3.33Å; K474-E478 WeakPolarHBondContact O-CB 3.19Å; K474-E478 WeakPolarHBondContact O-CG 3.49Å; K474-E478 PolarHBondContact O-N 3.36Å; E478-G482 PolarHBondContact O-N 2.73Å; E478-P536 HydrophobicContact CB-CG 4.47Å; E478-P536 HydrophobicContact CG-CG 3.63Å; E478-P536 VanDerWaalsContact OE1-CB 3.31Å; E478-P536 WeakPolarHBondContact OE1-CB 3.4Å; E478-P536 WeakPolarHBondContact OE1-CD 3.37Å; E478-P536 VanDerWaalsContact OE1-CG 3.23Å; E478-P536 WeakPolarHBondContact OE1-CG 3.45Å
479L92.2Very high88.1Confident0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-59.4-55.4174.4175.564.1000111.5H427 K475 W476 L477 F481 G482 V483 Y495 V497 Y501H427-L479 HydrophobicContact CB-CB 3.82Å; H427-L479 HydrophobicContact CB-CD1 3.92Å; H427-L479 HydrophobicContact CB-CD2 3.78Å; H427-L479 HydrophobicContact CB-CG 4.01Å; K475-L479 PolarHBondContact O-N 3.06Å; K475-L479 VanDerWaalsContact O-N 3.12Å; W476-L479 HydrophobicContact CE3-CD2 4.29Å; W476-L479 HydrophobicContact CZ3-CD2 4.11Å; W476-L479 WeakPolarHBondContact O-CB 3.12Å; W476-L479 PolarHBondContact O-N 3.09Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-L479 PolarHBondContact O-N 2.92Å; L479-F481 VanDerWaalsContact C-N 3.32Å; L479-F481 PolarHBondContact O-N 2.64Å; L479-G482 PolarHBondContact O-N 2.81Å; L479-V483 HydrophobicContact CD1-CG2 4.06Å; L479-V483 HydrophobicContact CG-CG2 4.44Å; L479-V483 WeakPolarHBondContact O-CG2 3.21Å; L479-V483 PolarHBondContact O-N 2.72Å; L479-Y495 VanDerWaalsContact CD2-CB 3.41Å; L479-Y495 HydrophobicContact CD2-CD1 4.15Å; L479-Y495 HydrophobicContact CD2-CG 3.98Å; L479-Y495 HydrophobicContact CG-CD1 4.04Å; L479-Y495 HydrophobicContact CG-CG 4.38Å; L479-V497 HydrophobicContact CD2-CG1 4.31Å; L479-Y501 HydrophobicContact CD1-CD1 4.43Å
480N94.6Very high87.6Confident0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-59.5-43.9-176.8-71.8-178.2000111.3W106 W476 L477 V483 F484 Y495W106-N480 HydrophobicContact CH2-CB 3.62Å; W106-N480 HydrophobicContact CZ2-CB 3.8Å; W476-N480 PolarHBondContact NE1-OD1 2.96Å; W476-N480 PolarHBondContact O-N 2.65Å; W476-N480 PolarHBondContact O-ND2 2.96Å; L477-N480 PolarHBondContact O-N 3Å; N480-V483 PolarHBondContact O-N 2.67Å; N480-F484 VanDerWaalsContact O-CB 3.29Å; N480-F484 WeakPolarHBondContact O-CB 3.32Å; N480-F484 PolarHBondContact O-N 3.18Å; N480-Y495 WeakPolarHBondContact ND2-CE2 3.3Å
481F91Very high87.5Confident14 Ų1429 Ų296%0.06115%0.145CC..Hα-helixtrans-65.6-44.3177.3-177.1-124.1000112.1Y103 W106 L477 L479 V483 F484 L485 V535 P539Y103-F481 HydrophobicContact CD1-CD1 4.44Å; Y103-F481 HydrophobicContact CD1-CG 4.34Å; Y103-F481 HydrophobicContact CE1-CB 3.98Å; Y103-F481 AromaticContact CE1-CD1 3.89Å; Y103-F481 HydrophobicContact CE1-CD1 3.89Å; Y103-F481 AromaticContact CE1-CG 3.91Å; Y103-F481 HydrophobicContact CE1-CG 3.91Å; W106-F481 HydrophobicContact CB-CD2 3.88Å; W106-F481 HydrophobicContact CB-CE2 3.76Å; W106-F481 AromaticContact CD1-CD2 3.84Å; W106-F481 HydrophobicContact CD2-CB 4.2Å; W106-F481 AromaticContact CD2-CD2 3.52Å; W106-F481 HydrophobicContact CD2-CD2 3.52Å; W106-F481 HydrophobicContact CD2-CE2 4.33Å; W106-F481 HydrophobicContact CD2-CG 4.25Å; W106-F481 AromaticContact CE2-CD2 3.92Å; W106-F481 HydrophobicContact CE3-CB 4.08Å; W106-F481 AromaticContact CE3-CD2 3.96Å; W106-F481 HydrophobicContact CE3-CD2 3.96Å; W106-F481 HydrophobicContact CE3-CG 4.31Å; W106-F481 AromaticContact CG-CD2 3.48Å; W106-F481 HydrophobicContact CG-CD2 3.48Å; W106-F481 VanDerWaalsContact CG-CD2 3.48Å; W106-F481 AromaticContact CG-CE2 3.84Å; W106-F481 HydrophobicContact CG-CE2 3.84Å; W106-F481 HydrophobicContact CH2-CB 4.04Å; W106-F481 HydrophobicContact CZ2-CB 4.13Å; W106-F481 HydrophobicContact CZ3-CB 3.98Å; L477-F481 WeakPolarHBondContact O-CB 3.3Å; L477-F481 PolarHBondContact O-N 3.11Å; L479-F481 VanDerWaalsContact C-N 3.32Å; L479-F481 PolarHBondContact O-N 2.64Å; F481-V483 PolarHBondContact O-N 2.62Å; F481-F484 WeakPolarHBondContact O-CB 3.21Å; F481-F484 PolarHBondContact O-N 2.85Å; F481-L485 HydrophobicContact CD1-CD1 4.14Å; F481-L485 HydrophobicContact CD2-CD1 4.49Å; F481-L485 HydrophobicContact CD2-CG 4.42Å; F481-L485 HydrophobicContact CE1-CD1 3.72Å; F481-L485 HydrophobicContact CE2-CD1 4.11Å; F481-L485 HydrophobicContact CE2-CD2 4.17Å; F481-L485 HydrophobicContact CE2-CG 4.12Å; F481-L485 HydrophobicContact CZ-CD1 3.71Å; F481-L485 HydrophobicContact CZ-CD2 4.28Å; F481-L485 HydrophobicContact CZ-CG 4.2Å; F481-L485 WeakPolarHBondContact O-CG 3.47Å; F481-L485 PolarHBondContact O-N 3.18Å; F481-V535 HydrophobicContact CD1-CG1 4.02Å; F481-V535 HydrophobicContact CE1-CG1 3.64Å; F481-V535 HydrophobicContact CZ-CG1 4.46Å; F481-P539 HydrophobicContact CE1-CG 4.42Å
482G82.6Confident87.5Confident12 Ų1226.7 Ų26.712%0.12413%0.134CC..Hα-helixtrans-63-39.6177.700000113.1E478 L479 R486E478-G482 PolarHBondContact O-N 2.73Å; L479-G482 PolarHBondContact O-N 2.81Å; G482-R486 WeakPolarHBondContact O-CG 3.19Å; G482-R486 PolarHBondContact O-N 3.21Å; G482-R486 VanDerWaalsContact O-N 3.09Å
483V83.9Confident87.5Confident0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-66.8-43.2174.1178.80000110.7L479 N480 F481 L485 R486 T487 F492 Y495 Y501L479-V483 HydrophobicContact CD1-CG2 4.06Å; L479-V483 HydrophobicContact CG-CG2 4.44Å; L479-V483 WeakPolarHBondContact O-CG2 3.21Å; L479-V483 PolarHBondContact O-N 2.72Å; N480-V483 PolarHBondContact O-N 2.67Å; F481-V483 PolarHBondContact O-N 2.62Å; V483-L485 VanDerWaalsContact C-N 3.31Å; V483-L485 PolarHBondContact O-N 2.7Å; V483-R486 PolarHBondContact O-N 3.31Å; V483-T487 HydrophobicContact CG1-CG2 4.15Å; V483-T487 WeakPolarHBondContact O-CB 3.46Å; V483-T487 WeakPolarHBondContact O-CG2 3.05Å; V483-T487 PolarHBondContact O-N 3.28Å; V483-T487 PolarHBondContact O-OG1 2.94Å; V483-F492 HydrophobicContact CG1-CD2 3.67Å; V483-F492 HydrophobicContact CG1-CE2 3.68Å; V483-Y495 HydrophobicContact CB-CD1 4.21Å; V483-Y495 HydrophobicContact CB-CE1 3.67Å; V483-Y495 HydrophobicContact CG1-CD1 4.34Å; V483-Y495 HydrophobicContact CG1-CE1 3.73Å; V483-Y495 HydrophobicContact CG2-CD1 3.6Å; V483-Y495 HydrophobicContact CG2-CE1 3.59Å; V483-Y501 VanDerWaalsContact CG2-O 3.23Å; V483-Y501 WeakPolarHBondContact CG2-O 3.49Å
484F86.9Confident87.4Confident6 Ų626.7 Ų26.73%0.02613%0.134CC..Hα-helixtrans-55.2-48.1177.9176.3-89.6000111W106 M109 N480 F481 T487 G488 G489 K490 M491W106-F484 AromaticContact CD1-CD1 3.53Å; W106-F484 AromaticContact CD1-CD2 4Å; W106-F484 AromaticContact CD1-CE1 3.65Å; W106-F484 AromaticContact CD1-CG 3.72Å; W106-F484 AromaticContact CD1-CZ 3.9Å; W106-F484 AromaticContact NE1-CD1 3.61Å; W106-F484 AromaticContact NE1-CD2 3.49Å; W106-F484 AromaticContact NE1-CE2 3.96Å; W106-F484 AromaticContact NE1-CG 3.28Å; W106-F484 VanDerWaalsContact NE1-CG 3.28Å; M109-F484 HydrophobicContact CB-CZ 3.79Å; M109-F484 HydrophobicContact CE-CE1 3.8Å; M109-F484 HydrophobicContact CE-CZ 3.6Å; M109-F484 HydrophobicContact CG-CZ 4.38Å; M109-F484 HydrophobicContact SD-CE1 3.67Å; M109-F484 HydrophobicContact SD-CZ 3.72Å; N480-F484 VanDerWaalsContact O-CB 3.29Å; N480-F484 WeakPolarHBondContact O-CB 3.32Å; N480-F484 PolarHBondContact O-N 3.18Å; F481-F484 WeakPolarHBondContact O-CB 3.21Å; F481-F484 PolarHBondContact O-N 2.85Å; F484-T487 PolarHBondContact O-OG1 3.48Å; F484-G488 PolarHBondContact O-N 3.15Å; F484-G489 VanDerWaalsContact CD2-C 3.49Å; F484-G489 VanDerWaalsContact CE2-C 3.44Å; F484-G489 VanDerWaalsContact CE2-O 3.25Å; F484-G489 WeakPolarHBondContact CE2-O 3.23Å; F484-G489 WeakPolarHBondContact O-CA 3.48Å; F484-G489 PolarHBondContact O-N 2.98Å; F484-K490 WeakPolarHBondContact CA-O 3.23Å; F484-M491 HydrophobicContact CB-SD 4.16Å; F484-M491 HydrophobicContact CD2-CG 3.98Å; F484-M491 HydrophobicContact CD2-SD 3.75Å; F484-M491 HydrophobicContact CG-SD 4.39Å
485L74.8Confident87.5Confident29 Ų2923.9 Ų23.915%0.15212%0.122CC..Hα-helixtrans-63.2-51.7177.1-66172.8000112F481 V483 T487 G488 P539 F542F481-L485 HydrophobicContact CD1-CD1 4.14Å; F481-L485 HydrophobicContact CD2-CD1 4.49Å; F481-L485 HydrophobicContact CD2-CG 4.42Å; F481-L485 HydrophobicContact CE1-CD1 3.72Å; F481-L485 HydrophobicContact CE2-CD1 4.11Å; F481-L485 HydrophobicContact CE2-CD2 4.17Å; F481-L485 HydrophobicContact CE2-CG 4.12Å; F481-L485 HydrophobicContact CZ-CD1 3.71Å; F481-L485 HydrophobicContact CZ-CD2 4.28Å; F481-L485 HydrophobicContact CZ-CG 4.2Å; F481-L485 WeakPolarHBondContact O-CG 3.47Å; F481-L485 PolarHBondContact O-N 3.18Å; V483-L485 VanDerWaalsContact C-N 3.31Å; V483-L485 PolarHBondContact O-N 2.7Å; L485-T487 PolarHBondContact O-N 3.19Å; L485-T487 VanDerWaalsContact O-N 3.12Å; L485-G488 PolarHBondContact O-N 3.25Å; L485-G488 VanDerWaalsContact O-N 3.09Å; L485-P539 HydrophobicContact CD1-CB 3.82Å; L485-P539 HydrophobicContact CD1-CG 3.47Å; L485-P539 VanDerWaalsContact CD1-CG 3.47Å; L485-F542 HydrophobicContact CD2-CD2 4.43Å; L485-F542 HydrophobicContact CD2-CE2 4.22Å
486R70.6Confident87.4Confident177 Ų17723.4 Ų23.467%0.66812%0.121SC*.Hα-helixtrans-60.4-27.8-177.4-75.2179-175.8-102.2-1.1113.9G482 V483G482-R486 WeakPolarHBondContact O-CG 3.19Å; G482-R486 PolarHBondContact O-N 3.21Å; G482-R486 VanDerWaalsContact O-N 3.09Å; V483-R486 PolarHBondContact O-N 3.31Å
487T71.1Confident87.4Confident34 Ų3423.4 Ų23.421%0.20912%0.121CC..THydrogen-bonded Turntrans-97.40.9-177.359.40000113.5V483 F484 L485 K490 F492 R796V483-T487 HydrophobicContact CG1-CG2 4.15Å; V483-T487 WeakPolarHBondContact O-CB 3.46Å; V483-T487 WeakPolarHBondContact O-CG2 3.05Å; V483-T487 PolarHBondContact O-N 3.28Å; V483-T487 PolarHBondContact O-OG1 2.94Å; F484-T487 PolarHBondContact O-OG1 3.48Å; L485-T487 PolarHBondContact O-N 3.19Å; L485-T487 VanDerWaalsContact O-N 3.12Å; T487-K490 WeakPolarHBondContact OG1-CB 3.28Å; T487-K490 PolarHBondContact OG1-N 2.75Å; T487-F492 HydrophobicContact CG2-CE2 3.78Å; T487-F492 HydrophobicContact CG2-CZ 4.04Å; T487-R796 PolarHBondContact O-NH2 2.81Å
488G66.5Low87Confident37 Ų3724.7 Ų24.738%0.38113%0.127SC..THydrogen-bonded Turntrans72.735-178.600000113.2F484 L485F484-G488 PolarHBondContact O-N 3.15Å; L485-G488 PolarHBondContact O-N 3.25Å; L485-G488 VanDerWaalsContact O-N 3.09Å
489G77.9Confident86.2Confident14 Ų1428.8 Ų28.814%0.14415%0.15CC..SBendtrans102.321171.800000115.7K113 F484K113-G489 WeakPolarHBondContact CE-O 3.23Å; K113-G489 PolarHBondContact NZ-O 3.46Å; F484-G489 VanDerWaalsContact CD2-C 3.49Å; F484-G489 VanDerWaalsContact CE2-C 3.44Å; F484-G489 VanDerWaalsContact CE2-O 3.25Å; F484-G489 WeakPolarHBondContact CE2-O 3.23Å; F484-G489 WeakPolarHBondContact O-CA 3.48Å; F484-G489 PolarHBondContact O-N 2.98Å
490K86.7Confident84.8Confident86 Ų8630.9 Ų30.937%0.37417%0.172SC..  trans-88.6144.9177.7-60.3-175.8177-174.50111.4F484 T487 F492 E513F484-K490 WeakPolarHBondContact CA-O 3.23Å; T487-K490 WeakPolarHBondContact OG1-CB 3.28Å; T487-K490 PolarHBondContact OG1-N 2.75Å; K490-F492 HydrophobicContact CB-CE1 4.44Å; K490-F492 HydrophobicContact CB-CE2 3.71Å; K490-F492 HydrophobicContact CB-CZ 3.67Å; K490-F492 HydrophobicContact CD-CE1 4.46Å; K490-F492 HydrophobicContact CD-CZ 3.92Å; K490-F492 HydrophobicContact CG-CZ 4.45Å; K490-E513 HydrophobicContact CB-CG 4.19Å; K490-E513 HydrophobicContact CD-CG 4.43Å; K490-E513 HydrophobicContact CG-CG 4.27Å
491M95.3Very high84.1Confident0 Ų034.3 Ų34.30%019%0.185CC..  trans-120.4134.2171.6-67.2-66.8-74.300107W106 I110 K113 F484 E513 G514 F515 T518 N519 A522W106-M491 HydrophobicContact CZ2-CE 3.89Å; W106-M491 HydrophobicContact CZ2-SD 3.97Å; I110-M491 HydrophobicContact CD1-CE 3.97Å; I110-M491 HydrophobicContact CD1-SD 4.5Å; I110-M491 HydrophobicContact CG1-CE 4.43Å; K113-M491 HydrophobicContact CD-CG 4.12Å; F484-M491 HydrophobicContact CB-SD 4.16Å; F484-M491 HydrophobicContact CD2-CG 3.98Å; F484-M491 HydrophobicContact CD2-SD 3.75Å; F484-M491 HydrophobicContact CG-SD 4.39Å; M491-E513 WeakPolarHBondContact O-CA 3.47Å; M491-G514 CarbonylContact O-C 3.05Å; M491-G514 PolarHBondContact O-N 3.19Å; M491-F515 PolarHBondContact O-N 3.44Å; M491-T518 HydrophobicContact CE-CG2 3.6Å; M491-N519 WeakPolarHBondContact CB-OD1 3.36Å; M491-N519 WeakPolarHBondContact CG-OD1 3.26Å; M491-A522 HydrophobicContact CE-CB 4.29Å
492F96.3Very high83.8Confident22 Ų2236.6 Ų36.610%0.09620%0.2CC..BIsolated β-bridgetrans-112.9160.5-170.8-64.8-83.5000111.4V483 T487 K490 Y495 A503 V511 Q512 T518V483-F492 HydrophobicContact CG1-CD2 3.67Å; V483-F492 HydrophobicContact CG1-CE2 3.68Å; T487-F492 HydrophobicContact CG2-CE2 3.78Å; T487-F492 HydrophobicContact CG2-CZ 4.04Å; K490-F492 HydrophobicContact CB-CE1 4.44Å; K490-F492 HydrophobicContact CB-CE2 3.71Å; K490-F492 HydrophobicContact CB-CZ 3.67Å; K490-F492 HydrophobicContact CD-CE1 4.46Å; K490-F492 HydrophobicContact CD-CZ 3.92Å; K490-F492 HydrophobicContact CG-CZ 4.45Å; F492-Y495 HydrophobicContact CB-CE2 4.26Å; F492-Y495 PolarHBondContact N-OH 3.5Å; F492-Y495 WeakPolarHBondContact O-CE2 3.27Å; F492-A503 HydrophobicContact CB-CB 3.99Å; F492-A503 HydrophobicContact CD1-CB 3.81Å; F492-A503 HydrophobicContact CD2-CB 3.82Å; F492-A503 HydrophobicContact CE1-CB 4.22Å; F492-A503 HydrophobicContact CE2-CB 4.25Å; F492-A503 HydrophobicContact CG-CB 3.58Å; F492-A503 HydrophobicContact CZ-CB 4.42Å; F492-V511 HydrophobicContact CB-CG2 4.2Å; F492-V511 HydrophobicContact CD1-CG1 4.35Å; F492-V511 HydrophobicContact CD1-CG2 4.12Å; F492-Q512 WeakPolarHBondContact CA-O 3.45Å; F492-T518 WeakPolarHBondContact O-CB 3.43Å; F492-T518 PolarHBondContact O-OG1 3.31Å
493E96Very high84.1Confident4 Ų437.3 Ų37.32%0.01921%0.205CC..SBendtrans-60.7-45.8175-178-176.4-162.800113W446 Y509 Q512 F515 W517W446-E493 HydrophobicContact CE3-CG 4.31Å; W446-E493 HydrophobicContact CH2-CG 4.12Å; W446-E493 HydrophobicContact CZ3-CG 3.57Å; E493-Y509 PolarHBondContact OE1-OH 2.99Å; E493-Q512 HydrophobicContact CB-CB 4.36Å; E493-Q512 PolarHBondContact N-O 2.82Å; E493-F515 HydrophobicContact CB-CB 4.44Å; E493-F515 HydrophobicContact CB-CD1 4.49Å; E493-F515 HydrophobicContact CB-CD2 3.47Å; E493-F515 VanDerWaalsContact CB-CD2 3.47Å; E493-F515 HydrophobicContact CB-CE2 3.65Å; E493-F515 HydrophobicContact CB-CG 3.9Å; E493-F515 HydrophobicContact CB-CZ 4.23Å; E493-F515 HydrophobicContact CG-CD1 4.47Å; E493-F515 HydrophobicContact CG-CD2 3.9Å; E493-F515 HydrophobicContact CG-CE1 4.17Å; E493-F515 HydrophobicContact CG-CE2 3.55Å; E493-F515 HydrophobicContact CG-CG 4.31Å; E493-F515 HydrophobicContact CG-CZ 3.69Å; E493-W517 HydrophobicContact CG-CZ2 3.58Å; E493-W517 PolarHBondContact O-NE1 3.27Å
494K96.2Very high84.5Confident0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-139.6160.5-177.260.6-105-175.7179.60111.8W446 G504 V511W446-K494 HydrophobicContact CD2-CB 3.84Å; W446-K494 HydrophobicContact CE3-CB 4.13Å; W446-K494 HydrophobicContact CG-CB 4.39Å; W446-K494 HydrophobicContact CH2-CB 4.24Å; W446-K494 HydrophobicContact CH2-CD 3.53Å; W446-K494 HydrophobicContact CH2-CG 4.4Å; W446-K494 HydrophobicContact CZ2-CB 3.9Å; W446-K494 HydrophobicContact CZ2-CD 3.63Å; W446-K494 HydrophobicContact CZ2-CG 4.11Å; W446-K494 HydrophobicContact CZ3-CB 4.34Å; W446-K494 HydrophobicContact CZ3-CD 4.13Å; K494-G504 PolarHBondContact O-N 2.98Å; K494-V511 HydrophobicContact CD-CG2 4.07Å; K494-V511 HydrophobicContact CG-CG2 4.15Å
495Y96.5Very high84.7Confident0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-134.4149.4-174.9-68.3-98.5000112.4N444 G445 W476 L479 N480 V483 F492 V497 G504 T518N444-Y495 CarbonylContact C-O 3.45Å; N444-Y495 VanDerWaalsContact CA-O 3.32Å; N444-Y495 WeakPolarHBondContact CA-O 3.32Å; G445-Y495 PolarHBondContact N-O 3.28Å; G445-Y495 PolarHBondContact O-N 2.88Å; G445-Y495 VanDerWaalsContact O-N 3.08Å; W476-Y495 AromaticContact CH2-CD2 3.9Å; W476-Y495 HydrophobicContact CH2-CD2 3.9Å; W476-Y495 HydrophobicContact CH2-CG 4.35Å; W476-Y495 HydrophobicContact CZ2-CD2 4.07Å; L479-Y495 VanDerWaalsContact CD2-CB 3.41Å; L479-Y495 HydrophobicContact CD2-CD1 4.15Å; L479-Y495 HydrophobicContact CD2-CG 3.98Å; L479-Y495 HydrophobicContact CG-CD1 4.04Å; L479-Y495 HydrophobicContact CG-CG 4.38Å; N480-Y495 WeakPolarHBondContact ND2-CE2 3.3Å; V483-Y495 HydrophobicContact CB-CD1 4.21Å; V483-Y495 HydrophobicContact CB-CE1 3.67Å; V483-Y495 HydrophobicContact CG1-CD1 4.34Å; V483-Y495 HydrophobicContact CG1-CE1 3.73Å; V483-Y495 HydrophobicContact CG2-CD1 3.6Å; V483-Y495 HydrophobicContact CG2-CE1 3.59Å; F492-Y495 HydrophobicContact CB-CE2 4.26Å; F492-Y495 PolarHBondContact N-OH 3.5Å; F492-Y495 WeakPolarHBondContact O-CE2 3.27Å; Y495-V497 PolarHBondContact O-N 3.25Å; Y495-G504 VanDerWaalsContact CA-N 3.33Å; Y495-T518 HydrophobicContact CE2-CG2 3.55Å
496N93.4Very high85.4Confident31 Ų3139.4 Ų39.417%0.16624%0.235CC..EExtended strand (participates in β ladder)trans-79.5115.4169.3-174.6-40.9000109.3E498 N499 T502N496-E498 VanDerWaalsContact C-N 3.33Å; N496-E498 PolarHBondContact OD1-N 2.8Å; N496-N499 PolarHBondContact OD1-N 3.22Å; N496-T502 PolarHBondContact N-O 3.47Å
497V94.2Very high86.4Confident0 Ų032.4 Ų32.40%022%0.218CC..SBendtrans-86.8-0.9-176.3-64.20000114.2P426 H427 P430 P443 W476 L479 Y495P426-V497 VanDerWaalsContact CD-O 3.3Å; P426-V497 WeakPolarHBondContact CD-O 3.34Å; P426-V497 VanDerWaalsContact CG-O 3.32Å; P426-V497 WeakPolarHBondContact CG-O 3.46Å; H427-V497 HydrophobicContact CB-CB 4.41Å; H427-V497 WeakPolarHBondContact CB-O 3.21Å; H427-V497 PolarHBondContact N-O 2.86Å; P430-V497 HydrophobicContact CB-CG2 3.8Å; P443-V497 WeakPolarHBondContact O-CG2 3.39Å; P443-V497 PolarHBondContact O-N 3.17Å; W476-V497 HydrophobicContact CZ3-CG1 3.97Å; L479-V497 HydrophobicContact CD2-CG1 4.31Å; Y495-V497 PolarHBondContact O-N 3.25Å
498E88.6Confident87.1Confident26 Ų2633.4 Ų33.412%0.12122%0.22CC..SBendtrans-104.3-43.9-176.1-53.3-157.8132.500112.6M425 P426 W435 R442 P443 N496M425-E498 HydrophobicContact SD-CG 4.25Å; P426-E498 WeakPolarHBondContact CG-O 3.48Å; W435-E498 WeakPolarHBondContact CZ2-OE2 3.32Å; R442-E498 IonicContact CZ-OE1 3.4Å; R442-E498 IonicContact NE-OE1 2.84Å; R442-E498 PolarHBondContact NE-OE1 3.26Å; R442-E498 IonicContact NE-OE2 3.96Å; R442-E498 IonicContact NH2-OE1 3.96Å; R442-E498 PolarHBondContact NH2-OE1 3.43Å; R442-E498 IonicContact NH2-OE2 2.62Å; P443-E498 HydrophobicContact CB-CG 3.98Å; N496-E498 VanDerWaalsContact C-N 3.33Å; N496-E498 PolarHBondContact OD1-N 2.8Å
499N75.1Confident87.9Confident112 Ų11233.1 Ų33.160%0.59921%0.208SC*.SBendtrans-142.9130-168.7-74.6-45.9000112.2N496 T502N496-N499 PolarHBondContact OD1-N 3.22Å; N499-T502 PolarHBondContact O-OG1 2.9Å
500G62.7Low88.4Confident45 Ų4538.8 Ų38.846%0.46424%0.235SC..SBendtrans88.131.1144.100000118.2T502G500-T502 WeakPolarHBondContact O-CG2 3.24Å; G500-T502 PolarHBondContact O-N 3.31Å
501Y80.2Confident88.6Confident71 Ų7136.9 Ų36.928%0.27823%0.231SC..SBendtrans38.649.3174.7-65.1-71.8000113.1H427 L479 V483H427-Y501 AromaticContact CE1-CE1 3.99Å; L479-Y501 HydrophobicContact CD1-CD1 4.43Å; V483-Y501 VanDerWaalsContact CG2-O 3.23Å; V483-Y501 WeakPolarHBondContact CG2-O 3.49Å
502T83.8Confident88.5Confident63 Ų6338.2 Ų38.239%0.38724%0.237SC..  trans-121.6157.7-175.150.60000111.6N496 N499 G500N496-T502 PolarHBondContact N-O 3.47Å; N499-T502 PolarHBondContact O-OG1 2.9Å; G500-T502 WeakPolarHBondContact O-CG2 3.24Å; G500-T502 PolarHBondContact O-N 3.31Å
503A89.7Confident88.3Confident27 Ų2739.8 Ų39.822%0.22325%0.245CC..BIsolated β-bridgetrans-64.1153.8165.400000110.5F492 V511F492-A503 HydrophobicContact CB-CB 3.99Å; F492-A503 HydrophobicContact CD1-CB 3.81Å; F492-A503 HydrophobicContact CD2-CB 3.82Å; F492-A503 HydrophobicContact CE1-CB 4.22Å; F492-A503 HydrophobicContact CE2-CB 4.25Å; F492-A503 HydrophobicContact CG-CB 3.58Å; F492-A503 HydrophobicContact CZ-CB 4.42Å; A503-V511 HydrophobicContact CB-CG1 4.04Å; A503-V511 HydrophobicContact CB-CG2 4.05Å
504G91.4Very high87.9Confident8 Ų840 Ų408%0.08225%0.247CC..  trans-74.5177.8171.600000111.8N444 K494 Y495 V511N444-G504 WeakPolarHBondContact OD1-CA 3.45Å; K494-G504 PolarHBondContact O-N 2.98Å; Y495-G504 VanDerWaalsContact CA-N 3.33Å; G504-V511 WeakPolarHBondContact O-CB 3.44Å
505G91.8Very high88Confident31 Ų3140 Ų4032%0.3225%0.248SC..  trans-151.7-157.5-179.200000112.9N444N444-G505 PolarHBondContact ND2-O 2.99Å; N444-G505 PolarHBondContact OD1-N 2.88Å
506G90.4Very high88Confident39 Ų3940 Ų4040%0.40225%0.248SC..  trans79.7174-179.700000113.9D437D437-G506 CarbonylContact O-C 3.44Å; D437-G506 VanDerWaalsContact O-CA 3.24Å; D437-G506 WeakPolarHBondContact O-CA 3.3Å
507G90.5Very high88.2Confident31 Ų3138.9 Ų38.932%0.3224%0.241SC..SBendtrans80.3-158.6-176.800000113.9D437D437-G507 PolarHBondContact O-N 3.49Å
508E86.1Confident88.4Confident54 Ų5438.9 Ų38.925%0.25224%0.241SC..SBendtrans-92.7-2.8-16974.1-170.7174.600114.9R266 E272R266-E508 IonicContact CZ-OE1 2.7Å; R266-E508 IonicContact CZ-OE2 2.67Å; R266-E508 IonicContact NH1-OE1 3.41Å; R266-E508 PolarHBondContact NH1-OE1 3.46Å; R266-E508 IonicContact NH1-OE2 3.64Å; R266-E508 IonicContact NH2-OE1 3.12Å; R266-E508 PolarHBondContact NH2-OE1 3.46Å; R266-E508 IonicContact NH2-OE2 2.83Å; R266-E508 PolarHBondContact NH2-OE2 3Å; E272-E508 HydrophobicContact CG-CB 4.36Å
509Y84.3Confident88.9Confident31 Ų3137.6 Ų37.612%0.12224%0.235CC..SBendtrans-150.1158.6-179.856.9-96.2000112.8F148 Q439 E493 Q512F148-Y509 HydrophobicContact CE2-CE2 4.39Å; F148-Y509 AromaticContact CZ-CE2 4Å; F148-Y509 HydrophobicContact CZ-CE2 4Å; F148-Y509 AromaticContact CZ-CZ 3.83Å; Q439-Y509 PolarHBondContact NE2-OH 3.46Å; Q439-Y509 VanDerWaalsContact NE2-OH 3.08Å; Q439-Y509 PolarHBondContact OE1-OH 2.96Å; E493-Y509 PolarHBondContact OE1-OH 2.99Å; Y509-Q512 HydrophobicContact CD2-CG 4.23Å; Y509-Q512 HydrophobicContact CE2-CG 4.12Å
510D87.3Confident90Very high133 Ų13332.3 Ų32.371%0.71121%0.206SC*.PPolyproline II helixtrans-63.5150.1177-73.6-32.8000112.7Q512D510-Q512 PolarHBondContact O-N 3.39Å; D510-Q512 PolarHBondContact O-NE2 2.84Å
511V91.4Very high91.7Very high46 Ų4630.1 Ų30.128%0.27918%0.184SC..PPolyproline II helixtrans-57.5135178.865.20000112.9F492 K494 A503 G504F492-V511 HydrophobicContact CB-CG2 4.2Å; F492-V511 HydrophobicContact CD1-CG1 4.35Å; F492-V511 HydrophobicContact CD1-CG2 4.12Å; K494-V511 HydrophobicContact CD-CG2 4.07Å; K494-V511 HydrophobicContact CG-CG2 4.15Å; A503-V511 HydrophobicContact CB-CG1 4.04Å; A503-V511 HydrophobicContact CB-CG2 4.05Å; G504-V511 WeakPolarHBondContact O-CB 3.44Å
512Q92.4Very high92.6Very high29 Ų2926.8 Ų26.814%0.13617%0.171CC..PPolyproline II helixtrans-94.5143.9-174.2-59.3-62.4-55.300112.8R147 F148 F492 E493 Y509 D510 F515R147-Q512 HydrophobicContact CG-CG 4.15Å; F148-Q512 HydrophobicContact CD2-CB 4.42Å; F148-Q512 HydrophobicContact CD2-CG 4.17Å; F148-Q512 HydrophobicContact CE2-CB 4.17Å; F148-Q512 HydrophobicContact CE2-CG 3.65Å; F148-Q512 HydrophobicContact CZ-CG 4.48Å; F492-Q512 WeakPolarHBondContact CA-O 3.45Å; E493-Q512 HydrophobicContact CB-CB 4.36Å; E493-Q512 PolarHBondContact N-O 2.82Å; Y509-Q512 HydrophobicContact CD2-CG 4.23Å; Y509-Q512 HydrophobicContact CE2-CG 4.12Å; D510-Q512 PolarHBondContact O-N 3.39Å; D510-Q512 PolarHBondContact O-NE2 2.84Å; Q512-F515 HydrophobicContact CB-CD2 4.14Å; Q512-F515 HydrophobicContact CB-CE2 4.1Å
513E91.7Very high93.3Very high55 Ų5523.8 Ų23.826%0.25715%0.153SC..BIsolated β-bridgetrans-93.4135.3172.1-176.5-156.6136.700110.6K116 G145 G146 K490 M491K116-E513 IonicContact NZ-OE1 3.37Å; K116-E513 PolarHBondContact NZ-OE1 2.73Å; G145-E513 CarbonylContact C-O 3.54Å; G146-E513 PolarHBondContact N-O 3.33Å; K490-E513 HydrophobicContact CB-CG 4.19Å; K490-E513 HydrophobicContact CD-CG 4.43Å; K490-E513 HydrophobicContact CG-CG 4.27Å; M491-E513 WeakPolarHBondContact O-CA 3.47Å
514G89.4Confident93.7Very high7 Ų723.6 Ų23.67%0.07215%0.148CC..  trans177.4-60.316500000110.3M491 N519M491-G514 CarbonylContact O-C 3.05Å; M491-G514 PolarHBondContact O-N 3.19Å; G514-N519 PolarHBondContact O-ND2 3.46Å; G514-N519 PolarHBondContact O-OD1 2.96Å
515F96.5Very high94Very high2 Ų223.2 Ų23.21%0.00914%0.144CC..  cis-109.3127.8-45.8-163.3-77.7000107.3P144 F148 D155 M491 E493 Q512 W517 T518 N519P144-F515 HydrophobicContact CB-CD1 4.04Å; P144-F515 HydrophobicContact CB-CD2 4.39Å; P144-F515 HydrophobicContact CB-CE1 3.51Å; P144-F515 HydrophobicContact CB-CE2 3.89Å; P144-F515 HydrophobicContact CB-CZ 3.42Å; P144-F515 VanDerWaalsContact CB-CZ 3.42Å; P144-F515 HydrophobicContact CG-CZ 4.48Å; P144-F515 CarbonylContact O-C 3.47Å; P144-F515 VanDerWaalsContact O-CA 3.25Å; P144-F515 WeakPolarHBondContact O-CA 3.25Å; F148-F515 AromaticContact CD2-CE2 3.47Å; F148-F515 HydrophobicContact CD2-CE2 3.47Å; F148-F515 VanDerWaalsContact CD2-CE2 3.47Å; F148-F515 AromaticContact CD2-CZ 3.84Å; F148-F515 HydrophobicContact CD2-CZ 3.84Å; F148-F515 AromaticContact CE2-CE2 3.63Å; F148-F515 HydrophobicContact CE2-CE2 3.63Å; F148-F515 AromaticContact CE2-CZ 3.96Å; F148-F515 HydrophobicContact CE2-CZ 3.96Å; D155-F515 WeakPolarHBondContact OD1-CE1 3.29Å; M491-F515 PolarHBondContact O-N 3.44Å; E493-F515 HydrophobicContact CB-CB 4.44Å; E493-F515 HydrophobicContact CB-CD1 4.49Å; E493-F515 HydrophobicContact CB-CD2 3.47Å; E493-F515 VanDerWaalsContact CB-CD2 3.47Å; E493-F515 HydrophobicContact CB-CE2 3.65Å; E493-F515 HydrophobicContact CB-CG 3.9Å; E493-F515 HydrophobicContact CB-CZ 4.23Å; E493-F515 HydrophobicContact CG-CD1 4.47Å; E493-F515 HydrophobicContact CG-CD2 3.9Å; E493-F515 HydrophobicContact CG-CE1 4.17Å; E493-F515 HydrophobicContact CG-CE2 3.55Å; E493-F515 HydrophobicContact CG-CG 4.31Å; E493-F515 HydrophobicContact CG-CZ 3.69Å; Q512-F515 HydrophobicContact CB-CD2 4.14Å; Q512-F515 HydrophobicContact CB-CE2 4.1Å; F515-W517 VanDerWaalsContact C-N 3.34Å; F515-W517 AromaticContact CD1-CD1 3.12Å; F515-W517 HydrophobicContact CD1-CD2 4.05Å; F515-W517 AromaticContact CD1-CE2 3.64Å; F515-W517 AromaticContact CD1-CG 3.71Å; F515-W517 HydrophobicContact CD1-CG 3.71Å; F515-W517 HydrophobicContact CD1-CZ2 4.36Å; F515-W517 AromaticContact CD1-NE1 3.13Å; F515-W517 AromaticContact CE1-CD1 3.57Å; F515-W517 AromaticContact CE1-CD2 3.67Å; F515-W517 HydrophobicContact CE1-CD2 3.67Å; F515-W517 AromaticContact CE1-CE2 3.28Å; F515-W517 HydrophobicContact CE1-CE3 4.44Å; F515-W517 AromaticContact CE1-CG 3.81Å; F515-W517 HydrophobicContact CE1-CG 3.81Å; F515-W517 HydrophobicContact CE1-CH2 4.47Å; F515-W517 AromaticContact CE1-CZ2 3.69Å; F515-W517 HydrophobicContact CE1-CZ2 3.69Å; F515-W517 AromaticContact CE1-NE1 3.32Å; F515-W517 VanDerWaalsContact CE1-NE1 3.32Å; F515-W517 AromaticContact CG-NE1 3.96Å; F515-W517 HydrophobicContact CZ-CZ2 4.1Å; F515-W517 PolarHBondContact O-N 3.02Å; F515-W517 VanDerWaalsContact O-N 3.17Å; F515-T518 PolarHBondContact O-N 3.11Å; F515-N519 PolarHBondContact N-OD1 2.88Å; F515-N519 VanDerWaalsContact O-CG 3.27Å; F515-N519 PolarHBondContact O-N 3.3Å; F515-N519 PolarHBondContact O-OD1 3.49Å
516G97.2Very high94.3Very high0 Ų021.8 Ų21.80%013%0.129CC..Hα-helixtrans-46.4-50.3-166.600000114.2P144 T518 G520P144-G516 PolarHBondContact O-N 2.99Å; G516-T518 VanDerWaalsContact C-N 3.35Å; G516-T518 PolarHBondContact O-N 3.01Å; G516-G520 PolarHBondContact O-N 2.82Å
517W97.8Very high94.6Very high6 Ų621.6 Ų21.62%0.02312%0.119CC..Hα-helixtrans-68.3-29.1178.862.118.4000114.6W154 W158 W440 W446 P448 E493 F515 G520 V521W154-W517 AromaticContact CE2-CZ3 3.77Å; W154-W517 HydrophobicContact CZ2-CH2 4.35Å; W154-W517 AromaticContact CZ2-CZ3 3.77Å; W154-W517 HydrophobicContact CZ2-CZ3 3.77Å; W154-W517 AromaticContact NE1-CZ3 3.63Å; W158-W517 HydrophobicContact CB-CB 3.73Å; W158-W517 HydrophobicContact CD2-CB 4.42Å; W158-W517 HydrophobicContact CE3-CB 4.22Å; W158-W517 HydrophobicContact CE3-CE3 4.31Å; W158-W517 HydrophobicContact CG-CB 4.25Å; W158-W517 HydrophobicContact CZ3-CE3 4.42Å; W440-W517 HydrophobicContact CH2-CH2 4.21Å; W440-W517 HydrophobicContact CH2-CZ3 4.48Å; W440-W517 AromaticContact CZ2-CH2 3.96Å; W440-W517 HydrophobicContact CZ2-CH2 3.96Å; W446-W517 HydrophobicContact CD2-CZ2 4.48Å; W446-W517 AromaticContact CE3-CH2 3.37Å; W446-W517 HydrophobicContact CE3-CH2 3.37Å; W446-W517 AromaticContact CE3-CZ2 3.13Å; W446-W517 HydrophobicContact CE3-CZ2 3.13Å; W446-W517 HydrophobicContact CE3-CZ3 4.49Å; W446-W517 AromaticContact CZ3-CH2 3.35Å; W446-W517 HydrophobicContact CZ3-CH2 3.35Å; W446-W517 AromaticContact CZ3-CZ2 3.17Å; W446-W517 HydrophobicContact CZ3-CZ2 3.17Å; P448-W517 HydrophobicContact CG-CD2 3.6Å; P448-W517 HydrophobicContact CG-CE3 3.15Å; P448-W517 HydrophobicContact CG-CG 4.22Å; P448-W517 HydrophobicContact CG-CH2 4.36Å; P448-W517 HydrophobicContact CG-CZ3 3.57Å; E493-W517 HydrophobicContact CG-CZ2 3.58Å; E493-W517 PolarHBondContact O-NE1 3.27Å; F515-W517 VanDerWaalsContact C-N 3.34Å; F515-W517 AromaticContact CD1-CD1 3.12Å; F515-W517 HydrophobicContact CD1-CD2 4.05Å; F515-W517 AromaticContact CD1-CE2 3.64Å; F515-W517 AromaticContact CD1-CG 3.71Å; F515-W517 HydrophobicContact CD1-CG 3.71Å; F515-W517 HydrophobicContact CD1-CZ2 4.36Å; F515-W517 AromaticContact CD1-NE1 3.13Å; F515-W517 AromaticContact CE1-CD1 3.57Å; F515-W517 AromaticContact CE1-CD2 3.67Å; F515-W517 HydrophobicContact CE1-CD2 3.67Å; F515-W517 AromaticContact CE1-CE2 3.28Å; F515-W517 HydrophobicContact CE1-CE3 4.44Å; F515-W517 AromaticContact CE1-CG 3.81Å; F515-W517 HydrophobicContact CE1-CG 3.81Å; F515-W517 HydrophobicContact CE1-CH2 4.47Å; F515-W517 AromaticContact CE1-CZ2 3.69Å; F515-W517 HydrophobicContact CE1-CZ2 3.69Å; F515-W517 AromaticContact CE1-NE1 3.32Å; F515-W517 VanDerWaalsContact CE1-NE1 3.32Å; F515-W517 AromaticContact CG-NE1 3.96Å; F515-W517 HydrophobicContact CZ-CZ2 4.1Å; F515-W517 PolarHBondContact O-N 3.02Å; F515-W517 VanDerWaalsContact O-N 3.17Å; W517-G520 PolarHBondContact O-N 3.38Å; W517-V521 WeakPolarHBondContact O-CB 3.46Å; W517-V521 WeakPolarHBondContact O-CG2 3.46Å; W517-V521 PolarHBondContact O-N 3.28Å
518T98.6Very high94.9Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-81-41.8-173.3-57.60000106.8M491 F492 Y495 F515 G516 G520 A522M491-T518 HydrophobicContact CE-CG2 3.6Å; F492-T518 WeakPolarHBondContact O-CB 3.43Å; F492-T518 PolarHBondContact O-OG1 3.31Å; Y495-T518 HydrophobicContact CE2-CG2 3.55Å; F515-T518 PolarHBondContact O-N 3.11Å; G516-T518 VanDerWaalsContact C-N 3.35Å; G516-T518 PolarHBondContact O-N 3.01Å; T518-G520 VanDerWaalsContact C-N 3.3Å; T518-G520 PolarHBondContact O-N 3.39Å; T518-A522 WeakPolarHBondContact O-CB 3.42Å; T518-A522 PolarHBondContact O-N 3.46Å
519N98.4Very high95.4Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-56.3-48.6169.6-61.9-5.9000110I110 W114 M491 G514 F515 A522 L523I110-N519 HydrophobicContact CG2-CB 3.57Å; W114-N519 HydrophobicContact CH2-CB 3.77Å; W114-N519 HydrophobicContact CZ2-CB 4.13Å; W114-N519 HydrophobicContact CZ3-CB 4.31Å; M491-N519 WeakPolarHBondContact CB-OD1 3.36Å; M491-N519 WeakPolarHBondContact CG-OD1 3.26Å; G514-N519 PolarHBondContact O-ND2 3.46Å; G514-N519 PolarHBondContact O-OD1 2.96Å; F515-N519 PolarHBondContact N-OD1 2.88Å; F515-N519 VanDerWaalsContact O-CG 3.27Å; F515-N519 PolarHBondContact O-N 3.3Å; F515-N519 PolarHBondContact O-OD1 3.49Å; N519-A522 PolarHBondContact O-N 3.27Å; N519-L523 VanDerWaalsContact O-CG 3.31Å; N519-L523 WeakPolarHBondContact O-CG 3.21Å; N519-L523 PolarHBondContact O-N 3.25Å
520G98.5Very high95.9Very high0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-64.9-47.6-178.900000114.3W158 G516 W517 T518 A522 L523 D524W158-G520 VanDerWaalsContact O-CA 3.27Å; W158-G520 WeakPolarHBondContact O-CA 3.39Å; G516-G520 PolarHBondContact O-N 2.82Å; W517-G520 PolarHBondContact O-N 3.38Å; T518-G520 VanDerWaalsContact C-N 3.3Å; T518-G520 PolarHBondContact O-N 3.39Å; G520-A522 PolarHBondContact O-N 3.03Å; G520-L523 PolarHBondContact O-N 3.23Å; G520-D524 WeakPolarHBondContact O-CB 3.13Å; G520-D524 PolarHBondContact O-N 2.98Å
521V98.7Very high96.3Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-60.8-44.8175.3166.60000111.3W158 A447 H451 W517 L523 D524 L525W158-V521 HydrophobicContact CB-CG2 4.16Å; W158-V521 HydrophobicContact CG-CG2 3.79Å; A447-V521 HydrophobicContact CB-CB 4Å; A447-V521 HydrophobicContact CB-CG1 4.25Å; A447-V521 HydrophobicContact CB-CG2 3.89Å; H451-V521 HydrophobicContact CB-CB 4.36Å; H451-V521 HydrophobicContact CB-CG1 3.85Å; H451-V521 HydrophobicContact CB-CG2 3.57Å; W517-V521 WeakPolarHBondContact O-CB 3.46Å; W517-V521 WeakPolarHBondContact O-CG2 3.46Å; W517-V521 PolarHBondContact O-N 3.28Å; V521-L523 PolarHBondContact O-N 2.93Å; V521-D524 PolarHBondContact O-N 2.78Å; V521-L525 HydrophobicContact CG1-CD1 3.75Å; V521-L525 HydrophobicContact CG1-CG 4.26Å; V521-L525 WeakPolarHBondContact O-CB 3.34Å; V521-L525 VanDerWaalsContact O-CG 3.28Å; V521-L525 WeakPolarHBondContact O-CG 3.49Å; V521-L525 PolarHBondContact O-N 3.33Å
522A98.4Very high96.4Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-61.1-46.4179.200000111.2W106 I110 L477 M491 T518 N519 G520 L526W106-A522 HydrophobicContact CH2-CB 3.99Å; W106-A522 HydrophobicContact CZ2-CB 4.45Å; I110-A522 HydrophobicContact CD1-CB 3.84Å; L477-A522 HydrophobicContact CD2-CB 4.1Å; M491-A522 HydrophobicContact CE-CB 4.29Å; T518-A522 WeakPolarHBondContact O-CB 3.42Å; T518-A522 PolarHBondContact O-N 3.46Å; N519-A522 PolarHBondContact O-N 3.27Å; G520-A522 PolarHBondContact O-N 3.03Å; A522-L526 VanDerWaalsContact O-CB 3.23Å; A522-L526 WeakPolarHBondContact O-CB 3.39Å; A522-L526 WeakPolarHBondContact O-CD1 3.28Å; A522-L526 WeakPolarHBondContact O-CG 3.21Å; A522-L526 PolarHBondContact O-N 3.15Å
523L98.5Very high96.5Very high1 Ų118.8 Ų18.81%0.0059%0.089CC..Hα-helixtrans-64.5-43.9178.4-70.4176.5000112.8F95 A107 I110 W114 A165 S166 N519 G520 V521 L526 L527F95-L523 HydrophobicContact CE1-CD2 4.09Å; F95-L523 HydrophobicContact CE2-CD2 4.41Å; F95-L523 HydrophobicContact CZ-CD2 3.65Å; A107-L523 HydrophobicContact CB-CD2 3.89Å; I110-L523 HydrophobicContact CB-CD2 4.17Å; I110-L523 HydrophobicContact CB-CG 4.39Å; I110-L523 HydrophobicContact CG2-CD1 3.89Å; I110-L523 HydrophobicContact CG2-CD2 4.16Å; I110-L523 HydrophobicContact CG2-CG 3.82Å; W114-L523 HydrophobicContact CZ2-CD1 3.89Å; A165-L523 HydrophobicContact CB-CB 3.98Å; S166-L523 WeakPolarHBondContact OG-CD1 3.4Å; N519-L523 VanDerWaalsContact O-CG 3.31Å; N519-L523 WeakPolarHBondContact O-CG 3.21Å; N519-L523 PolarHBondContact O-N 3.25Å; G520-L523 PolarHBondContact O-N 3.23Å; V521-L523 PolarHBondContact O-N 2.93Å; L523-L526 PolarHBondContact O-N 3.43Å; L523-L527 PolarHBondContact O-N 2.62Å
524D98.1Very high96.3Very high22 Ų2220.6 Ų20.612%0.11810%0.104CC..Hα-helixtrans-61.6-46.1177.8-179.674.8000111.8K161 H451 G520 V521 L527 T528K161-D524 HydrophobicContact CB-CB 4.38Å; H451-D524 IonicContact CD2-OD2 2.62Å; H451-D524 IonicContact CE1-OD2 3.4Å; H451-D524 IonicContact NE2-OD2 3.39Å; H451-D524 PolarHBondContact NE2-OD2 3.34Å; G520-D524 WeakPolarHBondContact O-CB 3.13Å; G520-D524 PolarHBondContact O-N 2.98Å; V521-D524 PolarHBondContact O-N 2.78Å; D524-L527 PolarHBondContact O-N 2.9Å; D524-T528 WeakPolarHBondContact O-CB 3.19Å; D524-T528 PolarHBondContact O-N 2.82Å; D524-T528 PolarHBondContact O-OG1 3.48Å
525L98.2Very high95.8Very high1 Ų121 Ų211%0.00511%0.105CC..Hα-helixtrans-69-37.7178.5-67.3179.5000112.3I454 A473 L477 V521 T528 Y529I454-L525 HydrophobicContact CB-CD2 4.5Å; I454-L525 HydrophobicContact CD1-CD1 3.97Å; I454-L525 HydrophobicContact CD1-CD2 4.39Å; I454-L525 HydrophobicContact CG2-CD2 3.73Å; A473-L525 HydrophobicContact CB-CD1 4.32Å; A473-L525 HydrophobicContact CB-CD2 4.17Å; L477-L525 HydrophobicContact CD1-CB 3.9Å; L477-L525 HydrophobicContact CD2-CB 4.12Å; L477-L525 HydrophobicContact CG-CB 4.22Å; L477-L525 HydrophobicContact CG-CD1 4.47Å; V521-L525 HydrophobicContact CG1-CD1 3.75Å; V521-L525 HydrophobicContact CG1-CG 4.26Å; V521-L525 WeakPolarHBondContact O-CB 3.34Å; V521-L525 VanDerWaalsContact O-CG 3.28Å; V521-L525 WeakPolarHBondContact O-CG 3.49Å; V521-L525 PolarHBondContact O-N 3.33Å; L525-T528 PolarHBondContact O-N 3.06Å; L525-Y529 HydrophobicContact CD2-CD2 4.43Å; L525-Y529 HydrophobicContact CD2-CE2 4.21Å; L525-Y529 PolarHBondContact O-N 2.76Å
526L98Very high94.4Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-63-41.7175-78.4170.6000111.8I98 Y103 W106 A107 L477 A522 L523 G530 L533I98-L526 HydrophobicContact CD1-CB 3.95Å; I98-L526 HydrophobicContact CG1-CB 4.41Å; Y103-L526 HydrophobicContact CD1-CD2 4.03Å; Y103-L526 HydrophobicContact CD2-CD2 4.41Å; Y103-L526 HydrophobicContact CG-CD2 3.84Å; W106-L526 HydrophobicContact CE3-CD1 3.66Å; W106-L526 HydrophobicContact CE3-CD2 4.36Å; W106-L526 HydrophobicContact CE3-CG 4.47Å; W106-L526 HydrophobicContact CZ3-CD1 3.85Å; W106-L526 HydrophobicContact CZ3-CD2 4.37Å; W106-L526 HydrophobicContact CZ3-CG 4.34Å; A107-L526 HydrophobicContact CB-CD1 3.99Å; L477-L526 HydrophobicContact CD1-CD2 4.08Å; L477-L526 HydrophobicContact CD1-CG 4.26Å; L477-L526 HydrophobicContact CD2-CG 4.1Å; A522-L526 VanDerWaalsContact O-CB 3.23Å; A522-L526 WeakPolarHBondContact O-CB 3.39Å; A522-L526 WeakPolarHBondContact O-CD1 3.28Å; A522-L526 WeakPolarHBondContact O-CG 3.21Å; A522-L526 PolarHBondContact O-N 3.15Å; L523-L526 PolarHBondContact O-N 3.43Å; L526-G530 WeakPolarHBondContact O-CA 3.4Å; L526-G530 PolarHBondContact O-N 3.44Å; L526-L533 HydrophobicContact CD2-CD1 4.07Å
527L96.5Very high92.3Very high36 Ų3630.8 Ų30.819%0.18816%0.16CC..Hα-helixtrans-68.3-40.9174.2-77.1-169.4000112.4S94 F95 I98 A165 L523 D524S94-L527 WeakPolarHBondContact O-CD2 3.31Å; F95-L527 HydrophobicContact CD1-CD2 3.98Å; I98-L527 HydrophobicContact CD1-CD2 4.39Å; I98-L527 HydrophobicContact CG1-CD2 4.26Å; A165-L527 VanDerWaalsContact CA-CD1 3.45Å; A165-L527 HydrophobicContact CB-CD1 3.46Å; A165-L527 VanDerWaalsContact CB-CD1 3.46Å; A165-L527 HydrophobicContact CB-CG 4.24Å; A165-L527 WeakPolarHBondContact O-CD1 3.48Å; L523-L527 PolarHBondContact O-N 2.62Å; D524-L527 PolarHBondContact O-N 2.9Å
528T96.1Very high89.9Confident39 Ų3934.9 Ų34.924%0.23918%0.181CC..Hα-helixtrans-61.7-49.1-179.3-61.80000111.7R458 D524 L525 H531R458-T528 PolarHBondContact NH1-OG1 3.38Å; D524-T528 WeakPolarHBondContact O-CB 3.19Å; D524-T528 PolarHBondContact O-N 2.82Å; D524-T528 PolarHBondContact O-OG1 3.48Å; L525-T528 PolarHBondContact O-N 3.06Å; T528-H531 PolarHBondContact O-CE1 3.48Å; T528-H531 PolarHBondContact O-ND1 2.82Å
529Y97.2Very high87.3Confident17 Ų1737 Ų377%0.06720%0.195CC..Hα-helixtrans-111.31.5-170.8-63.1-64.9000114I454 R458 F470 A473 L525 H531 R532 L533I454-Y529 HydrophobicContact CG2-CE2 3.98Å; R458-Y529 VanDerWaalsContact CB-OH 3.26Å; R458-Y529 WeakPolarHBondContact CB-OH 2.97Å; F470-Y529 HydrophobicContact CB-CD1 4.35Å; F470-Y529 HydrophobicContact CB-CE1 4.07Å; F470-Y529 AromaticContact CD2-CD1 3.64Å; F470-Y529 HydrophobicContact CD2-CD1 3.64Å; F470-Y529 HydrophobicContact CD2-CE1 4.21Å; F470-Y529 AromaticContact CD2-CG 3.89Å; F470-Y529 HydrophobicContact CD2-CG 3.89Å; F470-Y529 HydrophobicContact CG-CD1 4.47Å; A473-Y529 HydrophobicContact CB-CD2 3.55Å; A473-Y529 HydrophobicContact CB-CE2 3.52Å; L525-Y529 HydrophobicContact CD2-CD2 4.43Å; L525-Y529 HydrophobicContact CD2-CE2 4.21Å; L525-Y529 PolarHBondContact O-N 2.76Å; Y529-H531 PolarHBondContact O-N 3.21Å; Y529-R532 WeakPolarHBondContact O-CA 3.08Å; Y529-R532 PolarHBondContact O-N 3.3Å; Y529-L533 WeakPolarHBondContact O-CG 3.3Å; Y529-L533 PolarHBondContact O-N 2.74Å
530G94.7Very high84.7Confident0 Ų040.7 Ų40.70%022%0.221CC..THydrogen-bonded Turntrans-57.8-23.4-172.600000115.3L97 R99 L526 R532L97-G530 CarbonylContact O-C 3.57Å; R99-G530 WeakPolarHBondContact CB-O 2.89Å; R99-G530 PolarHBondContact N-O 3.41Å; L526-G530 WeakPolarHBondContact O-CA 3.4Å; L526-G530 PolarHBondContact O-N 3.44Å; G530-R532 VanDerWaalsContact C-N 3.3Å
531H95.1Very high82Confident110 Ų11041.3 Ų41.351%0.50923%0.225SC..THydrogen-bonded Turntrans-71.6-22.9174.466.5-76.2000113.5L97 T528 Y529L97-H531 PolarHBondContact O-N 3.16Å; T528-H531 PolarHBondContact O-CE1 3.48Å; T528-H531 PolarHBondContact O-ND1 2.82Å; Y529-H531 PolarHBondContact O-N 3.21Å
532R94.5Very high79.8Confident95 Ų9541.9 Ų41.936%0.35823%0.227SC..THydrogen-bonded Turntrans-107.1-28.8179.3-70.8171.762.51715.3113.4E467 F470 Y529 G530E467-R532 IonicContact OE1-NH2 3.42Å; E467-R532 PolarHBondContact OE1-NH2 3.43Å; E467-R532 IonicContact OE2-CZ 3.51Å; E467-R532 IonicContact OE2-NH1 2.9Å; E467-R532 PolarHBondContact OE2-NH1 3.05Å; E467-R532 IonicContact OE2-NH2 2.92Å; E467-R532 PolarHBondContact OE2-NH2 2.75Å; F470-R532 HydrophobicContact CD2-CB 4.41Å; F470-R532 HydrophobicContact CE2-CB 3.6Å; F470-R532 HydrophobicContact CZ-CB 3.91Å; Y529-R532 WeakPolarHBondContact O-CA 3.08Å; Y529-R532 PolarHBondContact O-N 3.3Å; G530-R532 VanDerWaalsContact C-N 3.3Å
533L93.7Very high78.3Confident3 Ų345.1 Ų45.12%0.01624%0.242CC..  trans-65.8136.7-176.7-72.3168.4000111.1D100 Y103 F470 K474 L477 L526 Y529D100-L533 WeakPolarHBondContact CB-O 3.46Å; Y103-L533 HydrophobicContact CD2-CB 3.9Å; Y103-L533 HydrophobicContact CE2-CB 3.94Å; F470-L533 HydrophobicContact CE2-CD2 3.93Å; F470-L533 HydrophobicContact CE2-CG 4.26Å; F470-L533 HydrophobicContact CZ-CD2 4.43Å; K474-L533 HydrophobicContact CB-CD2 4.04Å; K474-L533 HydrophobicContact CG-CD2 4.31Å; L477-L533 HydrophobicContact CD1-CD1 3.39Å; L477-L533 HydrophobicContact CD1-CD2 4.29Å; L477-L533 HydrophobicContact CD1-CG 4.49Å; L526-L533 HydrophobicContact CD2-CD1 4.07Å; Y529-L533 WeakPolarHBondContact O-CG 3.3Å; Y529-L533 PolarHBondContact O-N 2.74Å
534T88Confident77.4Confident93 Ų9345.4 Ų45.457%0.57125%0.245SC*.  trans-139.5138.8171.1-27.80000106.8D100D100-T534 WeakPolarHBondContact OD2-CA 3.26Å; D100-T534 WeakPolarHBondContact OD2-CG2 3.33Å
535V79.8Confident76.5Confident15 Ų1545.4 Ų45.49%0.09125%0.247CC..  trans-61.7127.6177.1-70.60000109.6D100 Y102 Y103 F481 I537D100-V535 PolarHBondContact OD2-N 3.11Å; Y102-V535 HydrophobicContact CD2-CG2 3.91Å; Y102-V535 HydrophobicContact CG-CG2 4.45Å; Y103-V535 HydrophobicContact CD1-CG1 3.98Å; Y103-V535 HydrophobicContact CD2-CG1 3.97Å; Y103-V535 HydrophobicContact CE1-CG1 3.75Å; Y103-V535 HydrophobicContact CE2-CG1 3.71Å; Y103-V535 HydrophobicContact CG-CG1 4.11Å; F481-V535 HydrophobicContact CD1-CG1 4.02Å; F481-V535 HydrophobicContact CE1-CG1 3.64Å; F481-V535 HydrophobicContact CZ-CG1 4.46Å; V535-I537 PolarHBondContact O-N 2.98Å
536P66.3Low75.5Confident69 Ų6946.5 Ų46.545%0.44825%0.252SS..SBendtrans-65.9-27.3-167.526.6-38.8000113E478E478-P536 HydrophobicContact CB-CG 4.47Å; E478-P536 HydrophobicContact CG-CG 3.63Å; E478-P536 VanDerWaalsContact OE1-CB 3.31Å; E478-P536 WeakPolarHBondContact OE1-CB 3.4Å; E478-P536 WeakPolarHBondContact OE1-CD 3.37Å; E478-P536 VanDerWaalsContact OE1-CG 3.23Å; E478-P536 WeakPolarHBondContact OE1-CG 3.45Å
537I53.5Low75.1Confident140 Ų14046.5 Ų46.572%0.71825%0.252SS*.SBendtrans-148.4116.5173.9-58.6179.6000102.8V535 P539V535-I537 PolarHBondContact O-N 2.98Å; I537-P539 WeakPolarHBondContact O-CD 3.34Å
538I47.1Very low74.8Confident91 Ų9144.8 Ų44.847%0.46724%0.244SC..  trans-46121.9166.4-49.2174.9000104.2Y102 S540Y102-I538 HydrophobicContact CE2-CG2 4.05Å; I538-S540 PolarHBondContact O-N 2.83Å
539P44.3Very low74.3Confident45 Ų4544.6 Ų44.629%0.29224%0.243SC..  trans-67.163-178.425-32.5000109.1F481 L485 I537 S541F481-P539 HydrophobicContact CE1-CG 4.42Å; L485-P539 HydrophobicContact CD1-CB 3.82Å; L485-P539 HydrophobicContact CD1-CG 3.47Å; L485-P539 VanDerWaalsContact CD1-CG 3.47Å; I537-P539 WeakPolarHBondContact O-CD 3.34Å; P539-S541 PolarHBondContact O-N 3.19Å
540S42.6Very low73.5Confident78 Ų7845.8 Ų45.855%0.54525%0.249SC..SBendtrans36.358.7-164.141.90000111.1I538 Q543I538-S540 PolarHBondContact O-N 2.83Å; S540-Q543 VanDerWaalsContact CB-NE2 3.28Å; S540-Q543 WeakPolarHBondContact O-CG 3.27Å; S540-Q543 PolarHBondContact O-NE2 3.4Å; S540-Q543 PolarHBondContact OG-NE2 3.46Å
541S43.1Very low72.8Confident12 Ų1246.9 Ų46.98%0.08426%0.261CS..SBendtrans55.2156.4-169.853.40000114.3P539 Q543 N662P539-S541 PolarHBondContact O-N 3.19Å; S541-Q543 WeakPolarHBondContact O-CG 3.18Å; S541-Q543 PolarHBondContact O-N 3.49Å; S541-N662 PolarHBondContact OG-ND2 3.18Å
542F52.2Low72.1Confident12 Ų1244.5 Ų44.55%0.05326%0.255CS..SBendtrans-50.5113.5152.6-148.4-91.6000105.1Y102 L105 L485 D546 P578 L579 M582Y102-F542 HydrophobicContact CE1-CB 4.12Å; L105-F542 HydrophobicContact CD2-CD2 4.15Å; L105-F542 HydrophobicContact CD2-CE2 3.96Å; L105-F542 HydrophobicContact CD2-CZ 4.37Å; L485-F542 HydrophobicContact CD2-CD2 4.43Å; L485-F542 HydrophobicContact CD2-CE2 4.22Å; F542-D546 HydrophobicContact CD1-CB 3.58Å; F542-D546 HydrophobicContact CE1-CB 3.22Å; F542-D546 HydrophobicContact CG-CB 4.48Å; F542-D546 HydrophobicContact CZ-CB 3.93Å; F542-P578 HydrophobicContact CB-CB 4.44Å; F542-P578 HydrophobicContact CD1-CB 4.43Å; F542-P578 VanDerWaalsContact O-CB 3.27Å; F542-P578 WeakPolarHBondContact O-CB 3.49Å; F542-P578 WeakPolarHBondContact O-CG 3.4Å; F542-L579 HydrophobicContact CB-CB 4.46Å; F542-M582 HydrophobicContact CD1-CG 3.95Å; F542-M582 HydrophobicContact CE1-CB 4.22Å; F542-M582 HydrophobicContact CE1-CE 4.13Å; F542-M582 HydrophobicContact CE1-CG 3.5Å; F542-M582 HydrophobicContact CE1-SD 4.3Å; F542-M582 HydrophobicContact CZ-CE 4.2Å; F542-M582 HydrophobicContact CZ-CG 4.27Å
543Q66.1Low71.8Confident68 Ų6840 Ų4032%0.31824%0.238SC..  trans-84.7155.3-164.5-79.2-166-10.800108.6S540 S541 S545 D546S540-Q543 VanDerWaalsContact CB-NE2 3.28Å; S540-Q543 WeakPolarHBondContact O-CG 3.27Å; S540-Q543 PolarHBondContact O-NE2 3.4Å; S540-Q543 PolarHBondContact OG-NE2 3.46Å; S541-Q543 WeakPolarHBondContact O-CG 3.18Å; S541-Q543 PolarHBondContact O-N 3.49Å; Q543-S545 VanDerWaalsContact CB-OG 3.27Å; Q543-S545 WeakPolarHBondContact CB-OG 3.41Å; Q543-S545 PolarHBondContact O-N 3.47Å; Q543-D546 PolarHBondContact N-OD2 3.06Å; Q543-D546 WeakPolarHBondContact O-CB 3.49Å; Q543-D546 PolarHBondContact O-N 2.99Å
544S79.5Confident71.7Confident8 Ų840.1 Ų40.16%0.05624%0.239CC..THydrogen-bonded Turntrans-49.3-23.6164.441.50000112.2D546 I547 F548 N662 Y664 I727S544-D546 PolarHBondContact O-N 2.73Å; S544-I547 PolarHBondContact O-N 3.12Å; S544-F548 WeakPolarHBondContact O-CB 3.08Å; S544-F548 WeakPolarHBondContact O-CD2 3.39Å; S544-F548 PolarHBondContact O-N 3.38Å; S544-N662 VanDerWaalsContact CB-O 3.26Å; S544-N662 WeakPolarHBondContact CB-O 3.46Å; S544-Y664 WeakPolarHBondContact CB-O 3.36Å; S544-Y664 PolarHBondContact OG-O 2.98Å; S544-I727 WeakPolarHBondContact OG-CD1 3.45Å
545S79.3Confident71.5Confident22 Ų2238.1 Ų38.115%0.15423%0.225CC..Hα-helixtrans-66-30.1174.469.30000114.5Q543 I547 C549 H550Q543-S545 VanDerWaalsContact CB-OG 3.27Å; Q543-S545 WeakPolarHBondContact CB-OG 3.41Å; Q543-S545 PolarHBondContact O-N 3.47Å; S545-I547 PolarHBondContact O-N 2.92Å; S545-C549 WeakPolarHBondContact O-CA 3.45Å; S545-C549 WeakPolarHBondContact O-CB 3.4Å; S545-C549 PolarHBondContact O-N 3.42Å; S545-H550 PolarHBondContact O-N 2.86Å; S545-H550 PolarHBondContact O-ND1 2.78Å
546D78.9Confident71.9Confident24 Ų2438 Ų3813%0.12823%0.225CC..Hα-helixtrans-74-9.1175.8-62.4-56000113.1F542 Q543 S544 H550F542-D546 HydrophobicContact CD1-CB 3.58Å; F542-D546 HydrophobicContact CE1-CB 3.22Å; F542-D546 HydrophobicContact CG-CB 4.48Å; F542-D546 HydrophobicContact CZ-CB 3.93Å; Q543-D546 PolarHBondContact N-OD2 3.06Å; Q543-D546 WeakPolarHBondContact O-CB 3.49Å; Q543-D546 PolarHBondContact O-N 2.99Å; S544-D546 PolarHBondContact O-N 2.73Å; D546-H550 CarbonylContact C-O 3.35Å; D546-H550 IonicContact OD1-CE1 2.6Å; D546-H550 IonicContact OD1-NE2 2.97Å; D546-H550 PolarHBondContact OD1-NE2 3.23Å
547I88.6Confident73.1Confident0 Ų034.9 Ų34.90%021%0.205CC..Hα-helixtrans-110.2-43.8175-66.1176.4000110.9S544 S545 L553 L554 F569 L574 P578 V581 M582 F605S544-I547 PolarHBondContact O-N 3.12Å; S545-I547 PolarHBondContact O-N 2.92Å; I547-L553 HydrophobicContact CG1-CD2 4.36Å; I547-L553 HydrophobicContact CG2-CD2 3.9Å; I547-L553 HydrophobicContact CG2-CG 4.49Å; I547-L554 WeakPolarHBondContact O-CB 3.24Å; I547-F569 HydrophobicContact CG2-CZ 4.01Å; I547-L574 HydrophobicContact CD1-CD1 3.92Å; I547-L574 HydrophobicContact CD1-CD2 3.88Å; I547-L574 HydrophobicContact CG2-CD2 4.34Å; I547-P578 HydrophobicContact CD1-CB 3.8Å; I547-V581 HydrophobicContact CD1-CB 4.21Å; I547-V581 HydrophobicContact CD1-CG1 4.13Å; I547-M582 HydrophobicContact CD1-CG 4.02Å; I547-M582 HydrophobicContact CD1-SD 4.43Å; I547-M582 HydrophobicContact CG1-CG 3.99Å; I547-M582 HydrophobicContact CG1-SD 3.93Å; I547-F605 HydrophobicContact CG2-CE1 4.19Å; I547-F605 HydrophobicContact CG2-CZ 4.09Å
548F91Very high74.8Confident0 Ų029 Ų290%018%0.175CC..Hα-helixtrans-101.8-18.5-170.8-57.9-55.9000114.6S544 V570 M572 L574 F605 I727 A799S544-F548 WeakPolarHBondContact O-CB 3.08Å; S544-F548 WeakPolarHBondContact O-CD2 3.39Å; S544-F548 PolarHBondContact O-N 3.38Å; F548-V570 WeakPolarHBondContact O-CG1 3.2Å; F548-M572 WeakPolarHBondContact CZ-O 3.45Å; F548-L574 HydrophobicContact CE2-CD1 4.01Å; F548-L574 HydrophobicContact CE2-CG 4.01Å; F548-L574 HydrophobicContact CZ-CD1 4.21Å; F548-L574 HydrophobicContact CZ-CD2 4.01Å; F548-L574 HydrophobicContact CZ-CG 3.73Å; F548-F605 HydrophobicContact CE1-CD1 4.42Å; F548-F605 AromaticContact CE1-CE1 3.84Å; F548-F605 HydrophobicContact CE1-CE1 3.84Å; F548-F605 HydrophobicContact CZ-CE1 4.14Å; F548-I727 HydrophobicContact CB-CD1 4.37Å; F548-I727 HydrophobicContact CD2-CD1 4.36Å; F548-A799 WeakPolarHBondContact O-CB 3.45Å
549C85.4Confident76.6Confident34 Ų3432.6 Ų32.623%0.2318%0.182CC..THydrogen-bonded Turntrans-104.6-35.9178-56.80000112.2S545 Y728S545-C549 WeakPolarHBondContact O-CA 3.45Å; S545-C549 WeakPolarHBondContact O-CB 3.4Å; S545-C549 PolarHBondContact O-N 3.42Å; C549-Y728 VanDerWaalsContact SG-CA 3.58Å
550H79.6Confident78.7Confident42 Ų4231.7 Ų31.719%0.19418%0.178CC..SBendtrans-155.9-174.518056.7-69000110.2S545 D546 R796S545-H550 PolarHBondContact O-N 2.86Å; S545-H550 PolarHBondContact O-ND1 2.78Å; D546-H550 CarbonylContact C-O 3.35Å; D546-H550 IonicContact OD1-CE1 2.6Å; D546-H550 IonicContact OD1-NE2 2.97Å; D546-H550 PolarHBondContact OD1-NE2 3.23Å; H550-R796 PolarHBondContact CD2-NH1 3.06Å
551G79.1Confident80.8Confident24 Ų2436.5 Ų36.525%0.24718%0.184CC..SBendtrans105166.4174.700000114L553 L554 D555G551-L553 VanDerWaalsContact C-N 3.32Å; G551-L553 PolarHBondContact O-N 3.36Å; G551-L554 PolarHBondContact O-N 3.3Å; G551-D555 PolarHBondContact O-N 3.12Å
552P80.7Confident83Confident59 Ų5936.8 Ų36.838%0.38319%0.185SC..Hα-helixtrans-70.8-27.3-172.629.6-35.8000112.7A556 M582 F585P552-A556 VanDerWaalsContact O-CB 3.31Å; P552-A556 WeakPolarHBondContact O-CB 3Å; P552-A556 PolarHBondContact O-N 3.08Å; P552-M582 HydrophobicContact CG-CE 3.93Å; P552-F585 HydrophobicContact CB-CE1 4.03Å; P552-F585 HydrophobicContact CG-CE1 4.14Å
553L89.6Confident84.8Confident0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-67.7-46.6176.2174.153.4000111.6I547 G551 D555 A556 V557 F569 V581 M582 F585 F600 F605I547-L553 HydrophobicContact CG1-CD2 4.36Å; I547-L553 HydrophobicContact CG2-CD2 3.9Å; I547-L553 HydrophobicContact CG2-CG 4.49Å; G551-L553 VanDerWaalsContact C-N 3.32Å; G551-L553 PolarHBondContact O-N 3.36Å; L553-D555 VanDerWaalsContact C-N 3.34Å; L553-D555 PolarHBondContact O-N 3.46Å; L553-A556 PolarHBondContact O-N 2.86Å; L553-V557 HydrophobicContact CD1-CG2 3.71Å; L553-V557 WeakPolarHBondContact O-CG2 3.24Å; L553-V557 PolarHBondContact O-N 3.05Å; L553-F569 HydrophobicContact CG-CZ 4.05Å; L553-V581 HydrophobicContact CD2-CG1 4.15Å; L553-M582 HydrophobicContact CB-SD 3.88Å; L553-M582 HydrophobicContact CD2-SD 4.09Å; L553-F585 HydrophobicContact CB-CD1 3.88Å; L553-F585 HydrophobicContact CB-CD2 4.35Å; L553-F585 HydrophobicContact CB-CE1 3.97Å; L553-F585 HydrophobicContact CB-CE2 4.41Å; L553-F585 HydrophobicContact CB-CG 4.07Å; L553-F585 HydrophobicContact CB-CZ 4.23Å; L553-F585 HydrophobicContact CD1-CD2 3.47Å; L553-F585 VanDerWaalsContact CD1-CD2 3.47Å; L553-F585 HydrophobicContact CD1-CE2 3.65Å; L553-F585 HydrophobicContact CD1-CG 3.94Å; L553-F585 HydrophobicContact CD1-CZ 4.27Å; L553-F585 HydrophobicContact CD2-CB 4.5Å; L553-F585 HydrophobicContact CG-CD2 4.37Å; L553-F585 HydrophobicContact CG-CG 4.38Å; L553-F600 HydrophobicContact CD1-CD1 4.19Å; L553-F600 HydrophobicContact CD1-CE1 3.46Å; L553-F600 VanDerWaalsContact CD1-CE1 3.46Å; L553-F600 HydrophobicContact CD1-CZ 4.19Å; L553-F600 HydrophobicContact CD2-CE1 3.88Å; L553-F600 HydrophobicContact CD2-CZ 3.98Å; L553-F600 HydrophobicContact CG-CE1 4.36Å; L553-F605 HydrophobicContact CD2-CE2 4.33Å; L553-F605 HydrophobicContact CD2-CZ 3.91Å
554L90.2Very high85.8Confident6 Ų642.3 Ų42.33%0.03121%0.208CC..Hα-helixtrans-56.2-49.6174.3179.662000111.4I547 G551 V557 Q558 F569 V570 A799I547-L554 WeakPolarHBondContact O-CB 3.24Å; G551-L554 PolarHBondContact O-N 3.3Å; L554-V557 PolarHBondContact O-N 3.24Å; L554-Q558 HydrophobicContact CD1-CG 3.79Å; L554-Q558 HydrophobicContact CG-CG 4.32Å; L554-Q558 WeakPolarHBondContact O-CB 3.37Å; L554-Q558 WeakPolarHBondContact O-CG 3.5Å; L554-Q558 PolarHBondContact O-N 3.23Å; L554-F569 HydrophobicContact CB-CE1 4.29Å; L554-F569 HydrophobicContact CD1-CD1 3.64Å; L554-F569 HydrophobicContact CD1-CE1 3.61Å; L554-V570 HydrophobicContact CD1-CG1 3.7Å; L554-A799 HydrophobicContact CD2-CB 3.86Å
555D84.7Confident86.1Confident52 Ų5244.1 Ų44.128%0.27822%0.217SC..Hα-helixtrans-62.5-44.7-178-171.369.1000111.5G551 L553 R559 Y802G551-D555 PolarHBondContact O-N 3.12Å; L553-D555 VanDerWaalsContact C-N 3.34Å; L553-D555 PolarHBondContact O-N 3.46Å; D555-R559 VanDerWaalsContact O-CB 3.28Å; D555-R559 WeakPolarHBondContact O-CB 3.28Å; D555-R559 VanDerWaalsContact O-CG 3.23Å; D555-R559 WeakPolarHBondContact O-CG 3.43Å; D555-R559 PolarHBondContact O-N 2.99Å; D555-R559 IonicContact OD1-CZ 3.61Å; D555-R559 VanDerWaalsContact OD1-CZ 3.32Å; D555-R559 IonicContact OD1-NE 2.71Å; D555-R559 PolarHBondContact OD1-NE 3.29Å; D555-R559 IonicContact OD1-NH2 3.2Å; D555-R559 PolarHBondContact OD1-NH2 2.9Å; D555-R559 WeakPolarHBondContact OD2-CD 3.46Å; D555-R559 IonicContact OD2-CZ 2.92Å; D555-R559 IonicContact OD2-NE 2.78Å; D555-R559 PolarHBondContact OD2-NE 3.27Å; D555-R559 IonicContact OD2-NH2 3.13Å; D555-Y802 PolarHBondContact OD1-OH 3.42Å
556A88.6Confident86.5Confident13 Ų1343.6 Ų43.611%0.10721%0.213CC..Hα-helixtrans-61.1-49.8177.300000112.2P552 L553 Q558 R559 A560 F585 L597P552-A556 VanDerWaalsContact O-CB 3.31Å; P552-A556 WeakPolarHBondContact O-CB 3Å; P552-A556 PolarHBondContact O-N 3.08Å; L553-A556 PolarHBondContact O-N 2.86Å; A556-Q558 PolarHBondContact O-N 2.7Å; A556-R559 PolarHBondContact O-N 2.67Å; A556-A560 VanDerWaalsContact O-CB 3.23Å; A556-A560 WeakPolarHBondContact O-CB 3.49Å; A556-A560 PolarHBondContact O-N 2.85Å; A556-F585 HydrophobicContact CB-CE2 4.08Å; A556-F585 HydrophobicContact CB-CZ 3.74Å; A556-L597 HydrophobicContact CB-CD1 4.47Å; A556-L597 HydrophobicContact CB-CD2 4.39Å
557V91Very high87.2Confident2 Ų242.5 Ų42.51%0.01221%0.207CC..Hα-helixtrans-63.9-43.9-178.6171.30000111.7L553 L554 R561 L562 F563 F569 M601L553-V557 HydrophobicContact CD1-CG2 3.71Å; L553-V557 WeakPolarHBondContact O-CG2 3.24Å; L553-V557 PolarHBondContact O-N 3.05Å; L554-V557 PolarHBondContact O-N 3.24Å; V557-R561 PolarHBondContact O-N 2.73Å; V557-L562 HydrophobicContact CG1-CD1 4.03Å; V557-L562 HydrophobicContact CG2-CD1 4.31Å; V557-F563 HydrophobicContact CG1-CD2 4.26Å; V557-F563 HydrophobicContact CG1-CE2 4.04Å; V557-F569 HydrophobicContact CB-CD1 4.36Å; V557-F569 HydrophobicContact CB-CD2 4.36Å; V557-F569 HydrophobicContact CB-CE1 4.45Å; V557-F569 HydrophobicContact CB-CE2 4.43Å; V557-F569 HydrophobicContact CB-CG 4.31Å; V557-F569 HydrophobicContact CB-CZ 4.48Å; V557-F569 HydrophobicContact CG1-CB 3.93Å; V557-F569 HydrophobicContact CG1-CD1 4.07Å; V557-F569 HydrophobicContact CG1-CD2 3.72Å; V557-F569 HydrophobicContact CG1-CE2 4.25Å; V557-F569 HydrophobicContact CG1-CG 3.6Å; V557-F569 HydrophobicContact CG2-CD2 4.37Å; V557-F569 HydrophobicContact CG2-CE2 4.08Å; V557-F569 HydrophobicContact CG2-CZ 4.27Å; V557-M601 HydrophobicContact CG2-SD 3.78Å
558Q88.6Confident87.4Confident18 Ų1847.2 Ų47.28%0.08423%0.226CC..Hα-helixtrans-68-41.7-179.7-66.8-69.11.600111.9L554 A556 R561 S566 A799 Y802L554-Q558 HydrophobicContact CD1-CG 3.79Å; L554-Q558 HydrophobicContact CG-CG 4.32Å; L554-Q558 WeakPolarHBondContact O-CB 3.37Å; L554-Q558 WeakPolarHBondContact O-CG 3.5Å; L554-Q558 PolarHBondContact O-N 3.23Å; A556-Q558 PolarHBondContact O-N 2.7Å; Q558-R561 PolarHBondContact O-N 2.75Å; Q558-S566 PolarHBondContact NE2-O 3.3Å; Q558-S566 VanDerWaalsContact OE1-CB 3.26Å; Q558-S566 PolarHBondContact OE1-OG 2.81Å; Q558-A799 PolarHBondContact NE2-O 3.05Å; Q558-Y802 HydrophobicContact CB-CD1 4.23Å; Q558-Y802 HydrophobicContact CB-CD2 3.96Å; Q558-Y802 HydrophobicContact CB-CE2 4.32Å; Q558-Y802 HydrophobicContact CB-CG 3.89Å; Q558-Y802 HydrophobicContact CG-CD2 3.76Å; Q558-Y802 HydrophobicContact CG-CE2 4.24Å; Q558-Y802 HydrophobicContact CG-CG 4.1Å
559R85.2Confident87.6Confident166 Ų16647.3 Ų47.363%0.62623%0.226SC*.Hα-helixtrans-68-36.1177.2-73-179.2-168.9-80.9-13.7113D555 A556 R561D555-R559 VanDerWaalsContact O-CB 3.28Å; D555-R559 WeakPolarHBondContact O-CB 3.28Å; D555-R559 VanDerWaalsContact O-CG 3.23Å; D555-R559 WeakPolarHBondContact O-CG 3.43Å; D555-R559 PolarHBondContact O-N 2.99Å; D555-R559 IonicContact OD1-CZ 3.61Å; D555-R559 VanDerWaalsContact OD1-CZ 3.32Å; D555-R559 IonicContact OD1-NE 2.71Å; D555-R559 PolarHBondContact OD1-NE 3.29Å; D555-R559 IonicContact OD1-NH2 3.2Å; D555-R559 PolarHBondContact OD1-NH2 2.9Å; D555-R559 WeakPolarHBondContact OD2-CD 3.46Å; D555-R559 IonicContact OD2-CZ 2.92Å; D555-R559 IonicContact OD2-NE 2.78Å; D555-R559 PolarHBondContact OD2-NE 3.27Å; D555-R559 IonicContact OD2-NH2 3.13Å; A556-R559 PolarHBondContact O-N 2.67Å; R559-R561 PolarHBondContact O-N 3.43Å
560A88.9Confident88Confident25 Ų2545.7 Ų45.721%0.20722%0.215CC..Hα-helixtrans-69.2-13175.500000113.1A556 L562 L597A556-A560 VanDerWaalsContact O-CB 3.23Å; A556-A560 WeakPolarHBondContact O-CB 3.49Å; A556-A560 PolarHBondContact O-N 2.85Å; A560-L562 HydrophobicContact CB-CD2 3.93Å; A560-L562 HydrophobicContact CB-CG 4.03Å; A560-L562 PolarHBondContact O-N 2.8Å; A560-L597 HydrophobicContact CB-CD1 3.49Å; A560-L597 VanDerWaalsContact CB-CD1 3.49Å
561R87.2Confident88.8Confident180 Ų18044 Ų4468%0.67921%0.207SC*.THydrogen-bonded Turntrans53.939.5178.5-56.4177.3178.1-170.90.9112.6V557 Q558 R559 F563V557-R561 PolarHBondContact O-N 2.73Å; Q558-R561 PolarHBondContact O-N 2.75Å; R559-R561 PolarHBondContact O-N 3.43Å; R561-F563 PolarHBondContact O-N 3.28Å
562L89.6Confident89.6Confident18 Ų1843.4 Ų43.49%0.09420%0.198CC..  trans-58.3-33.3-179.2-58.3-178.2000111.9V557 A560 P594 L597 R598 M601V557-L562 HydrophobicContact CG1-CD1 4.03Å; V557-L562 HydrophobicContact CG2-CD1 4.31Å; A560-L562 HydrophobicContact CB-CD2 3.93Å; A560-L562 HydrophobicContact CB-CG 4.03Å; A560-L562 PolarHBondContact O-N 2.8Å; L562-P594 HydrophobicContact CD2-CB 3.91Å; L562-P594 WeakPolarHBondContact CD2-O 3.36Å; L562-L597 HydrophobicContact CD1-CB 3.82Å; L562-L597 HydrophobicContact CD2-CB 4.32Å; L562-R598 PolarHBondContact O-NH2 2.92Å; L562-M601 HydrophobicContact CD1-CG 3.92Å
563F89.5Confident90.2Very high34 Ų3440.8 Ų40.815%0.14918%0.182CC..SBendtrans-116.5143.7180-50.1-73.4000110.3V557 R561 D565 Y568 F569 M572 M601V557-F563 HydrophobicContact CG1-CD2 4.26Å; V557-F563 HydrophobicContact CG1-CE2 4.04Å; R561-F563 PolarHBondContact O-N 3.28Å; F563-D565 VanDerWaalsContact C-N 3.26Å; F563-D565 PolarHBondContact O-N 2.95Å; F563-Y568 HydrophobicContact CB-CD1 4.3Å; F563-Y568 HydrophobicContact CB-CG 4.25Å; F563-Y568 AromaticContact CD1-CD1 3.32Å; F563-Y568 HydrophobicContact CD1-CD1 3.32Å; F563-Y568 AromaticContact CD1-CE1 3.72Å; F563-Y568 HydrophobicContact CD1-CE1 3.72Å; F563-Y568 HydrophobicContact CD1-CG 4.02Å; F563-Y568 HydrophobicContact CD2-CD1 4.15Å; F563-Y568 AromaticContact CE1-CD1 3.54Å; F563-Y568 HydrophobicContact CE1-CD1 3.54Å; F563-Y568 AromaticContact CE1-CE1 3.59Å; F563-Y568 HydrophobicContact CE1-CE1 3.59Å; F563-Y568 HydrophobicContact CE2-CD1 4.33Å; F563-Y568 AromaticContact CG-CD1 3.65Å; F563-Y568 HydrophobicContact CG-CD1 3.65Å; F563-Y568 HydrophobicContact CG-CE1 4.48Å; F563-Y568 HydrophobicContact CG-CG 4.11Å; F563-Y568 HydrophobicContact CZ-CD1 4.05Å; F563-Y568 HydrophobicContact CZ-CE1 4.27Å; F563-F569 HydrophobicContact CD2-CB 3.95Å; F563-F569 HydrophobicContact CE2-CB 3.99Å; F563-F569 HydrophobicContact CE2-CD2 4.42Å; F563-M572 HydrophobicContact CE2-SD 4.08Å; F563-M572 HydrophobicContact CZ-CE 4.43Å; F563-M572 HydrophobicContact CZ-SD 3.75Å; F563-M601 HydrophobicContact CE2-CE 4.42Å; F563-M601 HydrophobicContact CZ-CE 4.42Å
564K85.7Confident90.4Very high161 Ų16140.9 Ų40.970%0.718%0.182SC*.SBendtrans-61.1-40.2177.3-174.2-172.5177-165.80111D1019K564-D1019 IonicContact NZ-OD1 3.86Å; K564-D1019 IonicContact NZ-OD2 3.94Å; K564-D1019 PolarHBondContact NZ-OD2 3.46Å
565D87.4Confident90.6Very high47 Ų4745.8 Ų45.825%0.25120%0.2SC..SBendtrans-103124.2179.2-176.6-6.9000110F563 K567 Y568 R679F563-D565 VanDerWaalsContact C-N 3.26Å; F563-D565 PolarHBondContact O-N 2.95Å; D565-K567 PolarHBondContact O-N 3.07Å; D565-K567 WeakPolarHBondContact OD1-CB 3.25Å; D565-K567 PolarHBondContact OD1-N 2.86Å; D565-Y568 VanDerWaalsContact O-CB 3.25Å; D565-Y568 WeakPolarHBondContact O-CB 3.43Å; D565-Y568 PolarHBondContact O-N 2.93Å; D565-Y568 VanDerWaalsContact O-N 3.15Å; D565-R679 IonicContact OD1-CZ 3.75Å; D565-R679 IonicContact OD1-NE 2.73Å; D565-R679 IonicContact OD1-NH2 3.79Å; D565-R679 PolarHBondContact OD1-NH2 3.44Å; D565-R679 IonicContact OD2-CZ 3.32Å; D565-R679 IonicContact OD2-NE 3.32Å; D565-R679 PolarHBondContact OD2-NE 2.85Å; D565-R679 IonicContact OD2-NH2 2.87Å; D565-R679 PolarHBondContact OD2-NH2 3.15Å
566S88Confident90.8Very high11 Ų1147.2 Ų47.28%0.07721%0.205CC..THydrogen-bonded Turntrans-63.3-25.7178.4-80.50000112.8Q558 Y568 E800Q558-S566 PolarHBondContact NE2-O 3.3Å; Q558-S566 VanDerWaalsContact OE1-CB 3.26Å; Q558-S566 PolarHBondContact OE1-OG 2.81Å; S566-Y568 VanDerWaalsContact C-N 3.26Å; S566-Y568 PolarHBondContact O-N 3.39Å; S566-E800 CarbonylContact C-O 3.52Å; S566-E800 WeakPolarHBondContact CB-O 3.32Å
567K92.3Very high90.6Very high1 Ų148.7 Ų48.70%0.00421%0.211CC..Hα-helixtrans-71.6-23.6177.4-172.6174.7-170.9-580112.7D565 F569 V570 D571 R679 E682 E800D565-K567 PolarHBondContact O-N 3.07Å; D565-K567 WeakPolarHBondContact OD1-CB 3.25Å; D565-K567 PolarHBondContact OD1-N 2.86Å; K567-F569 VanDerWaalsContact C-N 3.31Å; K567-F569 PolarHBondContact O-N 3.4Å; K567-V570 HydrophobicContact CG-CG2 4.27Å; K567-V570 VanDerWaalsContact O-CG2 3.3Å; K567-V570 WeakPolarHBondContact O-CG2 3.2Å; K567-V570 PolarHBondContact O-N 2.62Å; K567-D571 WeakPolarHBondContact CG-OD2 3.36Å; K567-D571 IonicContact NZ-OD1 2.72Å; K567-D571 PolarHBondContact NZ-OD1 3.27Å; K567-D571 IonicContact NZ-OD2 3.44Å; K567-D571 PolarHBondContact NZ-OD2 3.01Å; K567-D571 PolarHBondContact O-N 3.22Å; K567-R679 VanDerWaalsContact CD-CZ 3.48Å; K567-R679 PolarHBondContact NZ-O 3.23Å; K567-E682 WeakPolarHBondContact CE-OE1 3.27Å; K567-E682 VanDerWaalsContact NZ-CD 3.33Å; K567-E682 IonicContact NZ-OE1 3.64Å; K567-E682 PolarHBondContact NZ-OE1 3.18Å; K567-E682 IonicContact NZ-OE2 2.73Å; K567-E682 PolarHBondContact NZ-OE2 2.99Å; K567-E800 WeakPolarHBondContact CA-O 3.39Å; K567-E800 HydrophobicContact CB-CB 4.18Å; K567-E800 WeakPolarHBondContact CB-O 3.27Å; K567-E800 HydrophobicContact CD-CB 4.45Å; K567-E800 HydrophobicContact CG-CB 4.04Å; K567-E800 PolarHBondContact N-O 2.92Å
568Y93.6Very high90.3Very high99 Ų9948.6 Ų48.639%0.38821%0.211SC..Hα-helixtrans-55.2-46.7-177-165.8-83.7000111.9F563 D565 S566 M572 P608F563-Y568 HydrophobicContact CB-CD1 4.3Å; F563-Y568 HydrophobicContact CB-CG 4.25Å; F563-Y568 AromaticContact CD1-CD1 3.32Å; F563-Y568 HydrophobicContact CD1-CD1 3.32Å; F563-Y568 AromaticContact CD1-CE1 3.72Å; F563-Y568 HydrophobicContact CD1-CE1 3.72Å; F563-Y568 HydrophobicContact CD1-CG 4.02Å; F563-Y568 HydrophobicContact CD2-CD1 4.15Å; F563-Y568 AromaticContact CE1-CD1 3.54Å; F563-Y568 HydrophobicContact CE1-CD1 3.54Å; F563-Y568 AromaticContact CE1-CE1 3.59Å; F563-Y568 HydrophobicContact CE1-CE1 3.59Å; F563-Y568 HydrophobicContact CE2-CD1 4.33Å; F563-Y568 AromaticContact CG-CD1 3.65Å; F563-Y568 HydrophobicContact CG-CD1 3.65Å; F563-Y568 HydrophobicContact CG-CE1 4.48Å; F563-Y568 HydrophobicContact CG-CG 4.11Å; F563-Y568 HydrophobicContact CZ-CD1 4.05Å; F563-Y568 HydrophobicContact CZ-CE1 4.27Å; D565-Y568 VanDerWaalsContact O-CB 3.25Å; D565-Y568 WeakPolarHBondContact O-CB 3.43Å; D565-Y568 PolarHBondContact O-N 2.93Å; D565-Y568 VanDerWaalsContact O-N 3.15Å; S566-Y568 VanDerWaalsContact C-N 3.26Å; S566-Y568 PolarHBondContact O-N 3.39Å; Y568-M572 HydrophobicContact CD1-CG 4.37Å; Y568-M572 HydrophobicContact CD1-SD 4.34Å; Y568-M572 HydrophobicContact CE1-CG 4.45Å; Y568-M572 HydrophobicContact CE1-SD 4.34Å; Y568-M572 VanDerWaalsContact O-CG 3.24Å; Y568-M572 WeakPolarHBondContact O-CG 3.3Å; Y568-M572 PolarHBondContact O-N 2.83Å; Y568-P608 HydrophobicContact CD1-CG 4.15Å; Y568-P608 HydrophobicContact CD2-CG 4.11Å; Y568-P608 HydrophobicContact CE1-CG 4.05Å; Y568-P608 HydrophobicContact CE2-CG 4.02Å; Y568-P608 HydrophobicContact CG-CG 4.18Å; Y568-P608 WeakPolarHBondContact O-CG 3.34Å
569F94.5Very high89.8Confident1 Ų148.3 Ų48.30%0.00421%0.21CC..Hα-helixtrans-65.9-46-179.8170.4-112.1000112.6I547 L553 L554 V557 F563 K567 D571 M572 M601 F605I547-F569 HydrophobicContact CG2-CZ 4.01Å; L553-F569 HydrophobicContact CG-CZ 4.05Å; L554-F569 HydrophobicContact CB-CE1 4.29Å; L554-F569 HydrophobicContact CD1-CD1 3.64Å; L554-F569 HydrophobicContact CD1-CE1 3.61Å; V557-F569 HydrophobicContact CB-CD1 4.36Å; V557-F569 HydrophobicContact CB-CD2 4.36Å; V557-F569 HydrophobicContact CB-CE1 4.45Å; V557-F569 HydrophobicContact CB-CE2 4.43Å; V557-F569 HydrophobicContact CB-CG 4.31Å; V557-F569 HydrophobicContact CB-CZ 4.48Å; V557-F569 HydrophobicContact CG1-CB 3.93Å; V557-F569 HydrophobicContact CG1-CD1 4.07Å; V557-F569 HydrophobicContact CG1-CD2 3.72Å; V557-F569 HydrophobicContact CG1-CE2 4.25Å; V557-F569 HydrophobicContact CG1-CG 3.6Å; V557-F569 HydrophobicContact CG2-CD2 4.37Å; V557-F569 HydrophobicContact CG2-CE2 4.08Å; V557-F569 HydrophobicContact CG2-CZ 4.27Å; F563-F569 HydrophobicContact CD2-CB 3.95Å; F563-F569 HydrophobicContact CE2-CB 3.99Å; F563-F569 HydrophobicContact CE2-CD2 4.42Å; K567-F569 VanDerWaalsContact C-N 3.31Å; K567-F569 PolarHBondContact O-N 3.4Å; F569-D571 PolarHBondContact O-N 3.45Å; F569-M572 HydrophobicContact CD2-SD 4.18Å; F569-M572 VanDerWaalsContact O-CB 3.3Å; F569-M572 WeakPolarHBondContact O-CB 3.32Å; F569-M572 WeakPolarHBondContact O-CG 3.39Å; F569-M572 PolarHBondContact O-N 3.18Å; F569-M601 HydrophobicContact CD2-CE 3.4Å; F569-M601 VanDerWaalsContact CD2-CE 3.4Å; F569-M601 HydrophobicContact CD2-SD 4.05Å; F569-M601 HydrophobicContact CE2-CE 3.44Å; F569-M601 VanDerWaalsContact CE2-CE 3.44Å; F569-M601 HydrophobicContact CE2-SD 3.72Å; F569-F605 HydrophobicContact CE2-CD1 4.41Å; F569-F605 AromaticContact CE2-CE1 3.76Å; F569-F605 HydrophobicContact CE2-CE1 3.76Å; F569-F605 HydrophobicContact CE2-CE2 4.43Å; F569-F605 AromaticContact CE2-CZ 3.8Å; F569-F605 HydrophobicContact CE2-CZ 3.8Å; F569-F605 HydrophobicContact CZ-CE1 4.3Å; F569-F605 HydrophobicContact CZ-CZ 4.24Å
570V94Very high89.7Confident0 Ų044.6 Ų44.60%020%0.201CC..Hα-helixtrans-73.1-15-176-59.50000113F548 L554 K567 S665 Y728 A799 E800F548-V570 WeakPolarHBondContact O-CG1 3.2Å; L554-V570 HydrophobicContact CD1-CG1 3.7Å; K567-V570 HydrophobicContact CG-CG2 4.27Å; K567-V570 VanDerWaalsContact O-CG2 3.3Å; K567-V570 WeakPolarHBondContact O-CG2 3.2Å; K567-V570 PolarHBondContact O-N 2.62Å; V570-S665 WeakPolarHBondContact O-CB 3.39Å; V570-S665 PolarHBondContact O-OG 3.05Å; V570-Y728 HydrophobicContact CB-CD1 4.04Å; V570-Y728 HydrophobicContact CB-CE1 3.74Å; V570-Y728 HydrophobicContact CG2-CD1 4.2Å; V570-Y728 HydrophobicContact CG2-CE1 3.63Å; V570-A799 HydrophobicContact CG1-CB 4Å; V570-A799 WeakPolarHBondContact CG1-O 3.25Å; V570-E800 HydrophobicContact CG2-CB 3.96Å
571D95.5Very high89.7Confident6 Ų643.4 Ų43.43%0.03219%0.191CC..THydrogen-bonded Turntrans-89.1-7.7170.2-71-7.8000113.5K567 F569 P608 R726 Y728K567-D571 WeakPolarHBondContact CG-OD2 3.36Å; K567-D571 IonicContact NZ-OD1 2.72Å; K567-D571 PolarHBondContact NZ-OD1 3.27Å; K567-D571 IonicContact NZ-OD2 3.44Å; K567-D571 PolarHBondContact NZ-OD2 3.01Å; K567-D571 PolarHBondContact O-N 3.22Å; F569-D571 PolarHBondContact O-N 3.45Å; D571-P608 HydrophobicContact CB-CB 3.74Å; D571-P608 HydrophobicContact CB-CG 3.92Å; D571-P608 WeakPolarHBondContact O-CA 3.38Å; D571-R726 IonicContact OD1-CZ 2.72Å; D571-R726 IonicContact OD1-NE 3.44Å; D571-R726 PolarHBondContact OD1-NE 3.46Å; D571-R726 IonicContact OD1-NH2 3.26Å; D571-Y728 PolarHBondContact OD1-OH 3.43Å
572M96Very high89.6Confident12 Ų1234.8 Ų34.86%0.05916%0.159CC..PPolyproline II helixtrans-65.4156.2177-63-17581.500110.8F548 F563 Y568 F569 M601 F605 D606 P608F548-M572 WeakPolarHBondContact CZ-O 3.45Å; F563-M572 HydrophobicContact CE2-SD 4.08Å; F563-M572 HydrophobicContact CZ-CE 4.43Å; F563-M572 HydrophobicContact CZ-SD 3.75Å; Y568-M572 HydrophobicContact CD1-CG 4.37Å; Y568-M572 HydrophobicContact CD1-SD 4.34Å; Y568-M572 HydrophobicContact CE1-CG 4.45Å; Y568-M572 HydrophobicContact CE1-SD 4.34Å; Y568-M572 VanDerWaalsContact O-CG 3.24Å; Y568-M572 WeakPolarHBondContact O-CG 3.3Å; Y568-M572 PolarHBondContact O-N 2.83Å; F569-M572 HydrophobicContact CD2-SD 4.18Å; F569-M572 VanDerWaalsContact O-CB 3.3Å; F569-M572 WeakPolarHBondContact O-CB 3.32Å; F569-M572 WeakPolarHBondContact O-CG 3.39Å; F569-M572 PolarHBondContact O-N 3.18Å; M572-M601 HydrophobicContact CE-CE 4Å; M572-M601 HydrophobicContact SD-CE 3.37Å; M572-M601 WeakPolarHBondContact SD-CE 3.32Å; M572-F605 HydrophobicContact CB-CB 4.18Å; M572-F605 HydrophobicContact CB-CD1 3.77Å; M572-F605 HydrophobicContact CB-CG 4.4Å; M572-F605 HydrophobicContact CE-CB 3.45Å; M572-F605 VanDerWaalsContact CE-CB 3.45Å; M572-F605 HydrophobicContact CE-CG 4.38Å; M572-F605 HydrophobicContact SD-CB 4.15Å; M572-D606 WeakPolarHBondContact CA-O 3.17Å; M572-D606 WeakPolarHBondContact CB-O 3.32Å; M572-P608 HydrophobicContact CG-CG 4.17Å
573T94.7Very high89Confident5 Ų536.4 Ų36.43%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-102.3139176.8-69.20000109.7F605 D606 S610 Y664T573-F605 CarbonylContact O-C 3.1Å; T573-F605 WeakPolarHBondContact O-CA 3.24Å; T573-D606 PolarHBondContact N-O 3.28Å; T573-D606 VanDerWaalsContact N-O 3.12Å; T573-D606 PolarHBondContact O-N 2.89Å; T573-S610 PolarHBondContact OG1-OG 3.23Å; T573-Y664 HydrophobicContact CG2-CD1 3.61Å; T573-Y664 HydrophobicContact CG2-CE1 3.22Å; T573-Y664 WeakPolarHBondContact OG1-CD1 3.16Å
574L93.9Very high88.9Confident2 Ų236.4 Ų36.41%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-77.1131.2173.4-58.7167.4000110.3I547 F548 H576 P578 V581 F605 H663I547-L574 HydrophobicContact CD1-CD1 3.92Å; I547-L574 HydrophobicContact CD1-CD2 3.88Å; I547-L574 HydrophobicContact CG2-CD2 4.34Å; F548-L574 HydrophobicContact CE2-CD1 4.01Å; F548-L574 HydrophobicContact CE2-CG 4.01Å; F548-L574 HydrophobicContact CZ-CD1 4.21Å; F548-L574 HydrophobicContact CZ-CD2 4.01Å; F548-L574 HydrophobicContact CZ-CG 3.73Å; L574-H576 VanDerWaalsContact C-N 3.28Å; L574-H576 VanDerWaalsContact CB-O 3.28Å; L574-H576 WeakPolarHBondContact CB-O 3.3Å; L574-P578 HydrophobicContact CD1-CB 4.17Å; L574-P578 HydrophobicContact CD1-CG 3.67Å; L574-V581 HydrophobicContact CD2-CB 4.3Å; L574-V581 HydrophobicContact CD2-CG1 4Å; L574-V581 HydrophobicContact CD2-CG2 4Å; L574-F605 HydrophobicContact CD2-CD1 3.82Å; L574-F605 HydrophobicContact CD2-CE1 3.2Å; L574-F605 HydrophobicContact CD2-CE2 4.33Å; L574-F605 HydrophobicContact CD2-CZ 3.48Å; L574-F605 VanDerWaalsContact CD2-CZ 3.48Å; L574-F605 HydrophobicContact CG-CE1 4.31Å; L574-H663 HydrophobicContact CB-CB 4.25Å; L574-H663 WeakPolarHBondContact CB-O 3.42Å; L574-H663 PolarHBondContact N-O 2.92Å; L574-H663 PolarHBondContact O-ND1 3.5Å
575R93.2Very high89Confident108 Ų10828.9 Ų28.941%0.40814%0.14SC..SBendtrans-74.6-21.9172.2-71.8-175.3175.6157.811113.2D602 N603 N604 F605 D606R575-D602 PolarHBondContact NH1-O 3.4Å; R575-N603 PolarHBondContact NH1-O 2.8Å; R575-N604 WeakPolarHBondContact CB-O 3.37Å; R575-N604 PolarHBondContact N-O 3.16Å; R575-F605 PolarHBondContact NH2-O 3.13Å; R575-D606 WeakPolarHBondContact CG-OD2 3.45Å; R575-D606 IonicContact CZ-OD1 3.13Å; R575-D606 VanDerWaalsContact CZ-OD1 3.3Å; R575-D606 IonicContact NE-OD1 2.68Å; R575-D606 PolarHBondContact NE-OD1 3.22Å; R575-D606 IonicContact NE-OD2 2.86Å; R575-D606 IonicContact NH2-OD1 3.78Å; R575-D606 PolarHBondContact NH2-OD1 3.19Å
576H89.5Confident88.6Confident82 Ų8226.8 Ų26.838%0.3813%0.128SC..SBendtrans-133.8166.3-175.7-54.1-51.5000109.9L574 I580 V581L574-H576 VanDerWaalsContact C-N 3.28Å; L574-H576 VanDerWaalsContact CB-O 3.28Å; L574-H576 WeakPolarHBondContact CB-O 3.3Å; H576-I580 HydrophobicContact CB-CB 4.1Å; H576-I580 HydrophobicContact CB-CD1 4.47Å; H576-I580 HydrophobicContact CB-CG2 4.04Å; H576-V581 HydrophobicContact CB-CG2 4.02Å
577D84.3Confident88.2Confident45 Ų4528 Ų2824%0.24114%0.136CC..  trans-54140.8173.8-174.3-84.8000110.5L579 I580 V581D577-L579 PolarHBondContact O-N 2.86Å; D577-L579 VanDerWaalsContact OD1-CB 3.24Å; D577-L579 WeakPolarHBondContact OD1-CB 3.46Å; D577-L579 PolarHBondContact OD1-N 2.7Å; D577-I580 HydrophobicContact CB-CD1 4.33Å; D577-I580 HydrophobicContact CB-CG1 4.44Å; D577-I580 PolarHBondContact O-N 2.89Å; D577-V581 PolarHBondContact O-N 2.81Å
578P85Confident87.7Confident0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-48.8-33.9-179.7-28.432.4000114.2F542 I547 L574 V581 M582 N662F542-P578 HydrophobicContact CB-CB 4.44Å; F542-P578 HydrophobicContact CD1-CB 4.43Å; F542-P578 VanDerWaalsContact O-CB 3.27Å; F542-P578 WeakPolarHBondContact O-CB 3.49Å; F542-P578 WeakPolarHBondContact O-CG 3.4Å; I547-P578 HydrophobicContact CD1-CB 3.8Å; L574-P578 HydrophobicContact CD1-CB 4.17Å; L574-P578 HydrophobicContact CD1-CG 3.67Å; P578-V581 PolarHBondContact O-N 2.85Å; P578-M582 WeakPolarHBondContact O-CB 3.41Å; P578-M582 VanDerWaalsContact O-CG 3.31Å; P578-M582 WeakPolarHBondContact O-CG 3.27Å; P578-M582 PolarHBondContact O-N 2.77Å; P578-N662 HydrophobicContact CG-CB 4.44Å; P578-N662 WeakPolarHBondContact CG-O 3.28Å
579L77.3Confident86.8Confident12 Ų1231.6 Ų31.66%0.06316%0.158CC..Hα-helixtrans-61.2-48.6177.7-177.468.3000111.9P101 Y102 L105 F542 D577 V581 M582 E583P101-L579 HydrophobicContact CB-CD2 3.87Å; P101-L579 HydrophobicContact CG-CD2 3.97Å; Y102-L579 HydrophobicContact CD1-CD1 3.55Å; Y102-L579 HydrophobicContact CD1-CD2 3.96Å; Y102-L579 HydrophobicContact CD1-CG 4.31Å; Y102-L579 HydrophobicContact CD2-CD2 4.37Å; Y102-L579 HydrophobicContact CE1-CB 4.18Å; Y102-L579 HydrophobicContact CE1-CD1 3.73Å; Y102-L579 HydrophobicContact CE1-CD2 3.68Å; Y102-L579 HydrophobicContact CE1-CG 4.09Å; Y102-L579 HydrophobicContact CE2-CD2 4.15Å; Y102-L579 HydrophobicContact CG-CD1 4.29Å; Y102-L579 HydrophobicContact CG-CD2 4.27Å; L105-L579 HydrophobicContact CB-CD1 4.07Å; L105-L579 HydrophobicContact CD2-CD1 3.43Å; L105-L579 VanDerWaalsContact CD2-CD1 3.43Å; L105-L579 HydrophobicContact CG-CD1 4.33Å; F542-L579 HydrophobicContact CB-CB 4.46Å; D577-L579 PolarHBondContact O-N 2.86Å; D577-L579 VanDerWaalsContact OD1-CB 3.24Å; D577-L579 WeakPolarHBondContact OD1-CB 3.46Å; D577-L579 PolarHBondContact OD1-N 2.7Å; L579-V581 VanDerWaalsContact C-N 3.31Å; L579-V581 PolarHBondContact O-N 2.89Å; L579-M582 PolarHBondContact O-N 3.23Å; L579-E583 PolarHBondContact O-N 3.34Å
580I84Confident86.2Confident87 Ų8735 Ų3545%0.44618%0.176SC..Hα-helixtrans-63.5-42.5-179.3-62.3174.8000109.8H576 D577 M582 E583 A584H576-I580 HydrophobicContact CB-CB 4.1Å; H576-I580 HydrophobicContact CB-CD1 4.47Å; H576-I580 HydrophobicContact CB-CG2 4.04Å; D577-I580 HydrophobicContact CB-CD1 4.33Å; D577-I580 HydrophobicContact CB-CG1 4.44Å; D577-I580 PolarHBondContact O-N 2.89Å; I580-M582 VanDerWaalsContact C-N 3.29Å; I580-M582 PolarHBondContact O-N 3.49Å; I580-E583 PolarHBondContact O-N 3.41Å; I580-A584 WeakPolarHBondContact O-CB 3.18Å; I580-A584 PolarHBondContact O-N 2.85Å
581V89.1Confident85.6Confident0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-63-38.4178.4177.50000111.1I547 L553 L574 H576 D577 P578 L579 A584 F585 F600 N604 F605I547-V581 HydrophobicContact CD1-CB 4.21Å; I547-V581 HydrophobicContact CD1-CG1 4.13Å; L553-V581 HydrophobicContact CD2-CG1 4.15Å; L574-V581 HydrophobicContact CD2-CB 4.3Å; L574-V581 HydrophobicContact CD2-CG1 4Å; L574-V581 HydrophobicContact CD2-CG2 4Å; H576-V581 HydrophobicContact CB-CG2 4.02Å; D577-V581 PolarHBondContact O-N 2.81Å; P578-V581 PolarHBondContact O-N 2.85Å; L579-V581 VanDerWaalsContact C-N 3.31Å; L579-V581 PolarHBondContact O-N 2.89Å; V581-A584 PolarHBondContact O-N 2.79Å; V581-F585 WeakPolarHBondContact O-CB 3.44Å; V581-F585 PolarHBondContact O-N 2.94Å; V581-F600 HydrophobicContact CG1-CZ 3.76Å; V581-N604 HydrophobicContact CG1-CB 4.08Å; V581-N604 HydrophobicContact CG2-CB 4.26Å; V581-F605 HydrophobicContact CG1-CE2 3.82Å; V581-F605 HydrophobicContact CG1-CZ 3.89Å
582M83.8Confident84.9Confident0 Ų041.9 Ų41.90%022%0.217CC..Hα-helixtrans-73.6-37.4178-73.9-66.5-59.200113.4L105 F542 I547 P552 L553 P578 L579 I580 A584 F585 I586L105-M582 HydrophobicContact CD2-CB 4.02Å; F542-M582 HydrophobicContact CD1-CG 3.95Å; F542-M582 HydrophobicContact CE1-CB 4.22Å; F542-M582 HydrophobicContact CE1-CE 4.13Å; F542-M582 HydrophobicContact CE1-CG 3.5Å; F542-M582 HydrophobicContact CE1-SD 4.3Å; F542-M582 HydrophobicContact CZ-CE 4.2Å; F542-M582 HydrophobicContact CZ-CG 4.27Å; I547-M582 HydrophobicContact CD1-CG 4.02Å; I547-M582 HydrophobicContact CD1-SD 4.43Å; I547-M582 HydrophobicContact CG1-CG 3.99Å; I547-M582 HydrophobicContact CG1-SD 3.93Å; P552-M582 HydrophobicContact CG-CE 3.93Å; L553-M582 HydrophobicContact CB-SD 3.88Å; L553-M582 HydrophobicContact CD2-SD 4.09Å; P578-M582 WeakPolarHBondContact O-CB 3.41Å; P578-M582 VanDerWaalsContact O-CG 3.31Å; P578-M582 WeakPolarHBondContact O-CG 3.27Å; P578-M582 PolarHBondContact O-N 2.77Å; L579-M582 PolarHBondContact O-N 3.23Å; I580-M582 VanDerWaalsContact C-N 3.29Å; I580-M582 PolarHBondContact O-N 3.49Å; M582-A584 VanDerWaalsContact C-N 3.3Å; M582-A584 PolarHBondContact O-N 3.24Å; M582-F585 HydrophobicContact CE-CD1 4.31Å; M582-F585 PolarHBondContact O-N 3.15Å; M582-F585 HydrophobicContact SD-CD1 4.44Å; M582-I586 WeakPolarHBondContact O-CG1 3.26Å; M582-I586 PolarHBondContact O-N 2.86Å
583E78.3Confident84.5Confident51 Ų5143.7 Ų43.724%0.23823%0.227CC..Hα-helixtrans-59.5-42.9169.8-76.1-172.7162.100111.3L105 L579 I580 I586 S587L105-E583 HydrophobicContact CB-CG 4.31Å; L105-E583 HydrophobicContact CD1-CB 4.38Å; L105-E583 HydrophobicContact CD1-CG 3.69Å; L105-E583 HydrophobicContact CG-CG 4.47Å; L579-E583 PolarHBondContact O-N 3.34Å; I580-E583 PolarHBondContact O-N 3.41Å; E583-I586 PolarHBondContact O-N 2.65Å; E583-S587 PolarHBondContact O-N 3.26Å; E583-S587 PolarHBondContact O-OG 2.92Å; E583-S587 VanDerWaalsContact O-OG 3.12Å
584A85.8Confident84.2Confident34 Ų3446.6 Ų46.628%0.28125%0.246SC..Hα-helixtrans-63.8-40.4174.600000111.7I580 V581 M582 S587 F600I580-A584 WeakPolarHBondContact O-CB 3.18Å; I580-A584 PolarHBondContact O-N 2.85Å; V581-A584 PolarHBondContact O-N 2.79Å; M582-A584 VanDerWaalsContact C-N 3.3Å; M582-A584 PolarHBondContact O-N 3.24Å; A584-S587 WeakPolarHBondContact O-CB 3.02Å; A584-S587 PolarHBondContact O-N 2.83Å; A584-F600 HydrophobicContact CB-CD2 4.45Å; A584-F600 HydrophobicContact CB-CE2 3.86Å
585F88.5Confident84.1Confident4 Ų453.2 Ų53.22%0.01828%0.277CS..Hα-helixtrans-66-39.7178.2176.5-114000112.5P552 L553 A556 V581 M582 S587 V588 K591 L597 F600P552-F585 HydrophobicContact CB-CE1 4.03Å; P552-F585 HydrophobicContact CG-CE1 4.14Å; L553-F585 HydrophobicContact CB-CD1 3.88Å; L553-F585 HydrophobicContact CB-CD2 4.35Å; L553-F585 HydrophobicContact CB-CE1 3.97Å; L553-F585 HydrophobicContact CB-CE2 4.41Å; L553-F585 HydrophobicContact CB-CG 4.07Å; L553-F585 HydrophobicContact CB-CZ 4.23Å; L553-F585 HydrophobicContact CD1-CD2 3.47Å; L553-F585 VanDerWaalsContact CD1-CD2 3.47Å; L553-F585 HydrophobicContact CD1-CE2 3.65Å; L553-F585 HydrophobicContact CD1-CG 3.94Å; L553-F585 HydrophobicContact CD1-CZ 4.27Å; L553-F585 HydrophobicContact CD2-CB 4.5Å; L553-F585 HydrophobicContact CG-CD2 4.37Å; L553-F585 HydrophobicContact CG-CG 4.38Å; A556-F585 HydrophobicContact CB-CE2 4.08Å; A556-F585 HydrophobicContact CB-CZ 3.74Å; V581-F585 WeakPolarHBondContact O-CB 3.44Å; V581-F585 PolarHBondContact O-N 2.94Å; M582-F585 HydrophobicContact CE-CD1 4.31Å; M582-F585 PolarHBondContact O-N 3.15Å; M582-F585 HydrophobicContact SD-CD1 4.44Å; F585-S587 PolarHBondContact O-N 3.26Å; F585-V588 HydrophobicContact CD2-CG2 4.32Å; F585-V588 VanDerWaalsContact O-CB 3.3Å; F585-V588 WeakPolarHBondContact O-CB 3.19Å; F585-V588 WeakPolarHBondContact O-CG2 3.3Å; F585-V588 PolarHBondContact O-N 3.21Å; F585-V588 VanDerWaalsContact O-N 3.08Å; F585-K591 HydrophobicContact CE1-CD 4.08Å; F585-K591 HydrophobicContact CE2-CD 4.23Å; F585-K591 HydrophobicContact CE2-CG 4.13Å; F585-K591 HydrophobicContact CZ-CD 3.71Å; F585-K591 HydrophobicContact CZ-CG 4.06Å; F585-K591 WeakPolarHBondContact O-CE 3.21Å; F585-L597 HydrophobicContact CE2-CD2 3.88Å; F585-F600 VanDerWaalsContact CA-CE2 3.46Å; F585-F600 HydrophobicContact CB-CE1 4.33Å; F585-F600 HydrophobicContact CB-CE2 3.73Å; F585-F600 HydrophobicContact CB-CZ 3.6Å; F585-F600 HydrophobicContact CD2-CD1 4.41Å; F585-F600 HydrophobicContact CD2-CE1 4.16Å; F585-F600 HydrophobicContact CD2-CZ 4.25Å; F585-F600 HydrophobicContact CG-CZ 4.35Å; F585-F600 VanDerWaalsContact N-CE2 3.29Å
586I78.4Confident84Confident3 Ų350.1 Ų50.12%0.01527%0.267CS..Hα-helixtrans-57.4-36.9175.6-78.2-173.1000111.1L105 Q108 M109 M582 E583 V588 K591L105-I586 HydrophobicContact CD1-CD1 3.31Å; L105-I586 HydrophobicContact CD1-CG1 4.26Å; L105-I586 HydrophobicContact CG-CD1 4.36Å; Q108-I586 HydrophobicContact CB-CD1 3.95Å; Q108-I586 HydrophobicContact CB-CG2 4.13Å; M109-I586 HydrophobicContact CG-CD1 3.59Å; M582-I586 WeakPolarHBondContact O-CG1 3.26Å; M582-I586 PolarHBondContact O-N 2.86Å; E583-I586 PolarHBondContact O-N 2.65Å; I586-V588 VanDerWaalsContact C-N 3.26Å; I586-V588 PolarHBondContact O-N 3.27Å; I586-K591 PolarHBondContact O-NZ 3.32Å
587S79.7Confident84.1Confident35 Ų3546.2 Ų46.225%0.24525%0.249CC..THydrogen-bonded Turntrans-73.4-10.3-179.7-58.50000114.6E583 A584 F585 Q589E583-S587 PolarHBondContact O-N 3.26Å; E583-S587 PolarHBondContact O-OG 2.92Å; E583-S587 VanDerWaalsContact O-OG 3.12Å; A584-S587 WeakPolarHBondContact O-CB 3.02Å; A584-S587 PolarHBondContact O-N 2.83Å; F585-S587 PolarHBondContact O-N 3.26Å; S587-Q589 PolarHBondContact O-N 3.21Å
588V82.2Confident84.5Confident11 Ų1149 Ų497%0.06726%0.256CS..  trans-66.2120.2171.9177.50000108.7F585 I586 K591 E596 F600F585-V588 HydrophobicContact CD2-CG2 4.32Å; F585-V588 VanDerWaalsContact O-CB 3.3Å; F585-V588 WeakPolarHBondContact O-CB 3.19Å; F585-V588 WeakPolarHBondContact O-CG2 3.3Å; F585-V588 PolarHBondContact O-N 3.21Å; F585-V588 VanDerWaalsContact O-N 3.08Å; I586-V588 VanDerWaalsContact C-N 3.26Å; I586-V588 PolarHBondContact O-N 3.27Å; V588-K591 HydrophobicContact CB-CG 4.19Å; V588-K591 HydrophobicContact CG1-CG 4.07Å; V588-K591 PolarHBondContact O-NZ 3.08Å; V588-E596 HydrophobicContact CG1-CB 4.48Å; V588-E596 HydrophobicContact CG1-CG 3.96Å; V588-F600 HydrophobicContact CG2-CB 3.95Å; V588-F600 HydrophobicContact CG2-CD2 3.84Å; V588-F600 HydrophobicContact CG2-CG 3.97Å
589Q76Confident84.9Confident165 Ų16556.2 Ų56.277%0.77128%0.284SS*.SBendtrans-70.9-57.6-174.4-72.2-166.1-16.800110.7S587 E596S587-Q589 PolarHBondContact O-N 3.21Å; Q589-E596 PolarHBondContact N-OE1 2.9Å
590N81.8Confident85.8Confident72 Ų7256.3 Ų56.339%0.38528%0.283SS..  trans-105.488.9178.5-168.4-8.7000111S592 D593 E596N590-S592 PolarHBondContact O-N 2.81Å; N590-S592 PolarHBondContact OD1-N 3.45Å; N590-S592 PolarHBondContact OD1-OG 3.32Å; N590-D593 HydrophobicContact CB-CB 3.91Å; N590-D593 WeakPolarHBondContact O-CB 3.11Å; N590-D593 PolarHBondContact O-N 3.01Å; N590-D593 PolarHBondContact OD1-N 3.16Å; N590-E596 WeakPolarHBondContact CA-OE2 3.41Å; N590-E596 WeakPolarHBondContact CB-OE2 3.34Å; N590-E596 PolarHBondContact N-OE2 2.97Å
591K81.3Confident86.3Confident57 Ų5752.2 Ų52.225%0.24826%0.262CS..THydrogen-bonded Turntrans-66.7-4.3176.6-62.2173178.566.70113.7F585 I586 V588 L597F585-K591 HydrophobicContact CE1-CD 4.08Å; F585-K591 HydrophobicContact CE2-CD 4.23Å; F585-K591 HydrophobicContact CE2-CG 4.13Å; F585-K591 HydrophobicContact CZ-CD 3.71Å; F585-K591 HydrophobicContact CZ-CG 4.06Å; F585-K591 WeakPolarHBondContact O-CE 3.21Å; I586-K591 PolarHBondContact O-NZ 3.32Å; V588-K591 HydrophobicContact CB-CG 4.19Å; V588-K591 HydrophobicContact CG1-CG 4.07Å; V588-K591 PolarHBondContact O-NZ 3.08Å; K591-L597 VanDerWaalsContact O-CD1 3.3Å; K591-L597 WeakPolarHBondContact O-CD1 3.38Å
592S79.8Confident86.5Confident94 Ų9456.8 Ų56.866%0.65729%0.287SS*.THydrogen-bonded Turntrans-102.1-8173.164.10000113.6N590 P594N590-S592 PolarHBondContact O-N 2.81Å; N590-S592 PolarHBondContact OD1-N 3.45Å; N590-S592 PolarHBondContact OD1-OG 3.32Å; S592-P594 WeakPolarHBondContact O-CD 3.32Å
593D87.4Confident87Confident51 Ų5161.8 Ų61.827%0.27331%0.314SS..  trans-80.5116.6174-178.4-4.7000110.5N590 E595 E596 L597N590-D593 HydrophobicContact CB-CB 3.91Å; N590-D593 WeakPolarHBondContact O-CB 3.11Å; N590-D593 PolarHBondContact O-N 3.01Å; N590-D593 PolarHBondContact OD1-N 3.16Å; D593-E595 VanDerWaalsContact C-N 3.28Å; D593-E595 PolarHBondContact O-N 3.48Å; D593-E595 PolarHBondContact OD1-N 3.02Å; D593-E596 HydrophobicContact CB-CB 4.12Å; D593-E596 PolarHBondContact O-N 3.16Å; D593-L597 PolarHBondContact O-N 3.46Å; D593-L597 VanDerWaalsContact O-N 3.11Å
594P88.8Confident87.9Confident65 Ų6560.1 Ų60.142%0.42231%0.306SS..Hα-helixtrans-60.1-32178.3-23.435.1000114.5L562 S592 R598L562-P594 HydrophobicContact CD2-CB 3.91Å; L562-P594 WeakPolarHBondContact CD2-O 3.36Å; S592-P594 WeakPolarHBondContact O-CD 3.32Å; P594-R598 VanDerWaalsContact O-CB 3.23Å; P594-R598 WeakPolarHBondContact O-CB 3.26Å; P594-R598 PolarHBondContact O-N 3.05Å
595E91.3Very high88.3Confident141 Ų14158.7 Ų58.766%0.65929%0.294SS*.Hα-helixtrans-75.3-40.3-178.2-71.6-168.6172.800112.1D593 R598 R599D593-E595 VanDerWaalsContact C-N 3.28Å; D593-E595 PolarHBondContact O-N 3.48Å; D593-E595 PolarHBondContact OD1-N 3.02Å; E595-R598 PolarHBondContact O-N 2.66Å; E595-R599 PolarHBondContact O-N 3.45Å
596E91.5Very high88.6Confident43 Ų4361.3 Ų61.320%0.20131%0.308CS..Hα-helixtrans-65.7-45.1175.9-157.1-176.4164.400110.7V588 Q589 N590 D593 R598 R599 F600V588-E596 HydrophobicContact CG1-CB 4.48Å; V588-E596 HydrophobicContact CG1-CG 3.96Å; Q589-E596 PolarHBondContact N-OE1 2.9Å; N590-E596 WeakPolarHBondContact CA-OE2 3.41Å; N590-E596 WeakPolarHBondContact CB-OE2 3.34Å; N590-E596 PolarHBondContact N-OE2 2.97Å; D593-E596 HydrophobicContact CB-CB 4.12Å; D593-E596 PolarHBondContact O-N 3.16Å; E596-R598 VanDerWaalsContact C-N 3.34Å; E596-R598 PolarHBondContact O-N 3.03Å; E596-R599 PolarHBondContact O-N 3.49Å; E596-F600 PolarHBondContact O-N 3.36Å
597L92.2Very high89.4Confident0 Ų070.2 Ų70.20%034%0.341CS..Hα-helixtrans-60.6-41.6173-78.5176000112.1A556 A560 L562 F585 K591 D593 R599 F600 M601A556-L597 HydrophobicContact CB-CD1 4.47Å; A556-L597 HydrophobicContact CB-CD2 4.39Å; A560-L597 HydrophobicContact CB-CD1 3.49Å; A560-L597 VanDerWaalsContact CB-CD1 3.49Å; L562-L597 HydrophobicContact CD1-CB 3.82Å; L562-L597 HydrophobicContact CD2-CB 4.32Å; F585-L597 HydrophobicContact CE2-CD2 3.88Å; K591-L597 VanDerWaalsContact O-CD1 3.3Å; K591-L597 WeakPolarHBondContact O-CD1 3.38Å; D593-L597 PolarHBondContact O-N 3.46Å; D593-L597 VanDerWaalsContact O-N 3.11Å; L597-R599 PolarHBondContact O-N 3.23Å; L597-F600 WeakPolarHBondContact O-CB 3.5Å; L597-F600 PolarHBondContact O-N 2.8Å; L597-M601 VanDerWaalsContact O-CG 3.25Å; L597-M601 WeakPolarHBondContact O-CG 3.18Å; L597-M601 PolarHBondContact O-N 3.44Å
598R93.4Very high90Very high104 Ų10469.7 Ų69.739%0.39234%0.337SS..Hα-helixtrans-62.7-42.8178.6179.6139.6-85.3-179.8-3.6112L562 P594 E595 E596 F600 M601 D602L562-R598 PolarHBondContact O-NH2 2.92Å; P594-R598 VanDerWaalsContact O-CB 3.23Å; P594-R598 WeakPolarHBondContact O-CB 3.26Å; P594-R598 PolarHBondContact O-N 3.05Å; E595-R598 PolarHBondContact O-N 2.66Å; E596-R598 VanDerWaalsContact C-N 3.34Å; E596-R598 PolarHBondContact O-N 3.03Å; R598-F600 VanDerWaalsContact C-N 3.34Å; R598-F600 PolarHBondContact O-N 3Å; R598-M601 WeakPolarHBondContact O-CB 3.39Å; R598-M601 PolarHBondContact O-N 3.17Å; R598-D602 VanDerWaalsContact O-CG 3.25Å; R598-D602 PolarHBondContact O-N 3.17Å
599R93.4Very high90.5Very high152 Ų15270.2 Ų70.257%0.57435%0.345SS*.Hα-helixtrans-61.5-41.6172.5-77.4-177.3-74.8-179.2-3.8112.4E595 E596 L597 M601 D602 N603E595-R599 PolarHBondContact O-N 3.45Å; E596-R599 PolarHBondContact O-N 3.49Å; L597-R599 PolarHBondContact O-N 3.23Å; R599-M601 VanDerWaalsContact C-N 3.32Å; R599-M601 PolarHBondContact O-N 2.67Å; R599-D602 PolarHBondContact O-N 3.27Å; R599-N603 VanDerWaalsContact O-CG 3.32Å; R599-N603 PolarHBondContact O-N 3.21Å; R599-N603 PolarHBondContact O-ND2 2.94Å
600F95Very high91.3Very high13 Ų1364 Ų646%0.05732%0.32CS..Hα-helixtrans-58.5-45.6173.8166.8-92.8000111.4L553 V581 A584 F585 V588 E596 L597 R598 N603 N604 F605L553-F600 HydrophobicContact CD1-CD1 4.19Å; L553-F600 HydrophobicContact CD1-CE1 3.46Å; L553-F600 VanDerWaalsContact CD1-CE1 3.46Å; L553-F600 HydrophobicContact CD1-CZ 4.19Å; L553-F600 HydrophobicContact CD2-CE1 3.88Å; L553-F600 HydrophobicContact CD2-CZ 3.98Å; L553-F600 HydrophobicContact CG-CE1 4.36Å; V581-F600 HydrophobicContact CG1-CZ 3.76Å; A584-F600 HydrophobicContact CB-CD2 4.45Å; A584-F600 HydrophobicContact CB-CE2 3.86Å; F585-F600 VanDerWaalsContact CA-CE2 3.46Å; F585-F600 HydrophobicContact CB-CE1 4.33Å; F585-F600 HydrophobicContact CB-CE2 3.73Å; F585-F600 HydrophobicContact CB-CZ 3.6Å; F585-F600 HydrophobicContact CD2-CD1 4.41Å; F585-F600 HydrophobicContact CD2-CE1 4.16Å; F585-F600 HydrophobicContact CD2-CZ 4.25Å; F585-F600 HydrophobicContact CG-CZ 4.35Å; F585-F600 VanDerWaalsContact N-CE2 3.29Å; V588-F600 HydrophobicContact CG2-CB 3.95Å; V588-F600 HydrophobicContact CG2-CD2 3.84Å; V588-F600 HydrophobicContact CG2-CG 3.97Å; E596-F600 PolarHBondContact O-N 3.36Å; L597-F600 WeakPolarHBondContact O-CB 3.5Å; L597-F600 PolarHBondContact O-N 2.8Å; R598-F600 VanDerWaalsContact C-N 3.34Å; R598-F600 PolarHBondContact O-N 3Å; F600-N603 PolarHBondContact O-N 2.96Å; F600-N604 WeakPolarHBondContact CD2-ND2 3.36Å; F600-N604 HydrophobicContact CE2-CB 4.5Å; F600-N604 WeakPolarHBondContact CE2-ND2 3.32Å; F600-N604 HydrophobicContact CZ-CB 4.39Å; F600-N604 PolarHBondContact O-N 3.35Å; F600-N604 PolarHBondContact O-ND2 3.42Å; F600-F605 AromaticContact CE1-CE2 3.77Å; F600-F605 HydrophobicContact CE1-CE2 3.77Å; F600-F605 HydrophobicContact CZ-CE2 4.18Å
601M94.6Very high91.9Very high1 Ų160.6 Ų60.61%0.00530%0.302CS..Hα-helixtrans-60.9-49178.2-71-54.1-53.500111.9V557 L562 F563 F569 M572 L597 R598 R599 N603 N604 F605V557-M601 HydrophobicContact CG2-SD 3.78Å; L562-M601 HydrophobicContact CD1-CG 3.92Å; F563-M601 HydrophobicContact CE2-CE 4.42Å; F563-M601 HydrophobicContact CZ-CE 4.42Å; F569-M601 HydrophobicContact CD2-CE 3.4Å; F569-M601 VanDerWaalsContact CD2-CE 3.4Å; F569-M601 HydrophobicContact CD2-SD 4.05Å; F569-M601 HydrophobicContact CE2-CE 3.44Å; F569-M601 VanDerWaalsContact CE2-CE 3.44Å; F569-M601 HydrophobicContact CE2-SD 3.72Å; M572-M601 HydrophobicContact CE-CE 4Å; M572-M601 HydrophobicContact SD-CE 3.37Å; M572-M601 WeakPolarHBondContact SD-CE 3.32Å; L597-M601 VanDerWaalsContact O-CG 3.25Å; L597-M601 WeakPolarHBondContact O-CG 3.18Å; L597-M601 PolarHBondContact O-N 3.44Å; R598-M601 WeakPolarHBondContact O-CB 3.39Å; R598-M601 PolarHBondContact O-N 3.17Å; R599-M601 VanDerWaalsContact C-N 3.32Å; R599-M601 PolarHBondContact O-N 2.67Å; M601-N603 PolarHBondContact O-N 3.46Å; M601-N604 PolarHBondContact O-N 2.91Å; M601-F605 HydrophobicContact CE-CB 3.96Å; M601-F605 HydrophobicContact CE-CD1 3.97Å; M601-F605 HydrophobicContact CE-CD2 3.35Å; M601-F605 HydrophobicContact CE-CE1 4.28Å; M601-F605 HydrophobicContact CE-CE2 3.76Å; M601-F605 HydrophobicContact CE-CG 3.49Å; M601-F605 VanDerWaalsContact CE-CG 3.49Å; M601-F605 HydrophobicContact CE-CZ 4.21Å; M601-F605 PolarHBondContact O-N 3.18Å; M601-F605 HydrophobicContact SD-CD2 3.82Å; M601-F605 HydrophobicContact SD-CE2 3.77Å; M601-F605 HydrophobicContact SD-CZ 4.41Å
602D93.9Very high92.6Very high97 Ų9758.6 Ų58.652%0.51929%0.293SS..Hα-helixtrans-62.6-27.4-177.4-67.3-20.7000113.1R575 R598 R599R575-D602 PolarHBondContact NH1-O 3.4Å; R598-D602 VanDerWaalsContact O-CG 3.25Å; R598-D602 PolarHBondContact O-N 3.17Å; R599-D602 PolarHBondContact O-N 3.27Å
603N94.7Very high93.3Very high105 Ų10559.1 Ų59.156%0.56129%0.286SS*.Hα-helixtrans-83.1-32.7178.7-71.5-26.1000113.2R575 R599 F600 M601R575-N603 PolarHBondContact NH1-O 2.8Å; R599-N603 VanDerWaalsContact O-CG 3.32Å; R599-N603 PolarHBondContact O-N 3.21Å; R599-N603 PolarHBondContact O-ND2 2.94Å; F600-N603 PolarHBondContact O-N 2.96Å; M601-N603 PolarHBondContact O-N 3.46Å
604N95.2Very high93.6Very high15 Ų1562.8 Ų62.88%0.0830%0.304CS..Hα-helixtrans-109.7-12-167.8-68.4-81.4000114.7R575 V581 F600 M601R575-N604 WeakPolarHBondContact CB-O 3.37Å; R575-N604 PolarHBondContact N-O 3.16Å; V581-N604 HydrophobicContact CG1-CB 4.08Å; V581-N604 HydrophobicContact CG2-CB 4.26Å; F600-N604 WeakPolarHBondContact CD2-ND2 3.36Å; F600-N604 HydrophobicContact CE2-CB 4.5Å; F600-N604 WeakPolarHBondContact CE2-ND2 3.32Å; F600-N604 HydrophobicContact CZ-CB 4.39Å; F600-N604 PolarHBondContact O-N 3.35Å; F600-N604 PolarHBondContact O-ND2 3.42Å; M601-N604 PolarHBondContact O-N 2.91Å
605F96.1Very high93.8Very high4 Ų460.6 Ų60.62%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-129.2146.1-173.5-65.2-102.7000113I547 F548 L553 F569 M572 T573 L574 R575 V581 F600 M601I547-F605 HydrophobicContact CG2-CE1 4.19Å; I547-F605 HydrophobicContact CG2-CZ 4.09Å; F548-F605 HydrophobicContact CE1-CD1 4.42Å; F548-F605 AromaticContact CE1-CE1 3.84Å; F548-F605 HydrophobicContact CE1-CE1 3.84Å; F548-F605 HydrophobicContact CZ-CE1 4.14Å; L553-F605 HydrophobicContact CD2-CE2 4.33Å; L553-F605 HydrophobicContact CD2-CZ 3.91Å; F569-F605 HydrophobicContact CE2-CD1 4.41Å; F569-F605 AromaticContact CE2-CE1 3.76Å; F569-F605 HydrophobicContact CE2-CE1 3.76Å; F569-F605 HydrophobicContact CE2-CE2 4.43Å; F569-F605 AromaticContact CE2-CZ 3.8Å; F569-F605 HydrophobicContact CE2-CZ 3.8Å; F569-F605 HydrophobicContact CZ-CE1 4.3Å; F569-F605 HydrophobicContact CZ-CZ 4.24Å; M572-F605 HydrophobicContact CB-CB 4.18Å; M572-F605 HydrophobicContact CB-CD1 3.77Å; M572-F605 HydrophobicContact CB-CG 4.4Å; M572-F605 HydrophobicContact CE-CB 3.45Å; M572-F605 VanDerWaalsContact CE-CB 3.45Å; M572-F605 HydrophobicContact CE-CG 4.38Å; M572-F605 HydrophobicContact SD-CB 4.15Å; T573-F605 CarbonylContact O-C 3.1Å; T573-F605 WeakPolarHBondContact O-CA 3.24Å; L574-F605 HydrophobicContact CD2-CD1 3.82Å; L574-F605 HydrophobicContact CD2-CE1 3.2Å; L574-F605 HydrophobicContact CD2-CE2 4.33Å; L574-F605 HydrophobicContact CD2-CZ 3.48Å; L574-F605 VanDerWaalsContact CD2-CZ 3.48Å; L574-F605 HydrophobicContact CG-CE1 4.31Å; R575-F605 PolarHBondContact NH2-O 3.13Å; V581-F605 HydrophobicContact CG1-CE2 3.82Å; V581-F605 HydrophobicContact CG1-CZ 3.89Å; F600-F605 AromaticContact CE1-CE2 3.77Å; F600-F605 HydrophobicContact CE1-CE2 3.77Å; F600-F605 HydrophobicContact CZ-CE2 4.18Å; M601-F605 HydrophobicContact CE-CB 3.96Å; M601-F605 HydrophobicContact CE-CD1 3.97Å; M601-F605 HydrophobicContact CE-CD2 3.35Å; M601-F605 HydrophobicContact CE-CE1 4.28Å; M601-F605 HydrophobicContact CE-CE2 3.76Å; M601-F605 HydrophobicContact CE-CG 3.49Å; M601-F605 VanDerWaalsContact CE-CG 3.49Å; M601-F605 HydrophobicContact CE-CZ 4.21Å; M601-F605 PolarHBondContact O-N 3.18Å; M601-F605 HydrophobicContact SD-CD2 3.82Å; M601-F605 HydrophobicContact SD-CE2 3.77Å; M601-F605 HydrophobicContact SD-CZ 4.41Å
606D94.8Very high94Very high59 Ų5959 Ų5932%0.31629%0.29SS..EExtended strand (participates in β ladder)trans-101.1159.8166.7-74.3-38.5000111.8M572 T573 R575M572-D606 WeakPolarHBondContact CA-O 3.17Å; M572-D606 WeakPolarHBondContact CB-O 3.32Å; T573-D606 PolarHBondContact N-O 3.28Å; T573-D606 VanDerWaalsContact N-O 3.12Å; T573-D606 PolarHBondContact O-N 2.89Å; R575-D606 WeakPolarHBondContact CG-OD2 3.45Å; R575-D606 IonicContact CZ-OD1 3.13Å; R575-D606 VanDerWaalsContact CZ-OD1 3.3Å; R575-D606 IonicContact NE-OD1 2.68Å; R575-D606 PolarHBondContact NE-OD1 3.22Å; R575-D606 IonicContact NE-OD2 2.86Å; R575-D606 IonicContact NH2-OD1 3.78Å; R575-D606 PolarHBondContact NH2-OD1 3.19Å
607R93.6Very high94.3Very high190 Ų19057.2 Ų57.272%0.71728%0.282SS*.PPolyproline II helixtrans-63.6150.6-176.368.6-176.4-179.7-156.6-1.5112.4S610R607-S610 WeakPolarHBondContact O-CB 3.34Å; R607-S610 PolarHBondContact O-N 2.88Å; R607-S610 PolarHBondContact O-OG 2.71Å
608P93.7Very high94.3Very high24 Ų2461.8 Ų61.816%0.15631%0.314CS..THydrogen-bonded Turntrans-52.5140.5171.5-30.239.4000113.3Y568 D571 M572 S610 L681Y568-P608 HydrophobicContact CD1-CG 4.15Å; Y568-P608 HydrophobicContact CD2-CG 4.11Å; Y568-P608 HydrophobicContact CE1-CG 4.05Å; Y568-P608 HydrophobicContact CE2-CG 4.02Å; Y568-P608 HydrophobicContact CG-CG 4.18Å; Y568-P608 WeakPolarHBondContact O-CG 3.34Å; D571-P608 HydrophobicContact CB-CB 3.74Å; D571-P608 HydrophobicContact CB-CG 3.92Å; D571-P608 WeakPolarHBondContact O-CA 3.38Å; M572-P608 HydrophobicContact CG-CG 4.17Å; P608-S610 VanDerWaalsContact C-N 3.3Å; P608-S610 PolarHBondContact O-N 3.32Å; P608-L681 HydrophobicContact CB-CD1 3.86Å
609G92.1Very high94.5Very high23 Ų2358.2 Ų58.224%0.23730%0.303CS..THydrogen-bonded Turntrans82.41.4177.500000114.8E611 L612G609-E611 WeakPolarHBondContact CA-OE2 3.41Å; G609-E611 PolarHBondContact N-OE2 2.75Å; G609-E611 PolarHBondContact O-N 2.88Å; G609-L612 PolarHBondContact O-N 3.44Å
610S93Very high94.7Very high34 Ų3453.6 Ų53.624%0.23829%0.285CS..THydrogen-bonded Turntrans-66.1-20.7172.953.30000112.7T573 R607 P608 L612 K654T573-S610 PolarHBondContact OG1-OG 3.23Å; R607-S610 WeakPolarHBondContact O-CB 3.34Å; R607-S610 PolarHBondContact O-N 2.88Å; R607-S610 PolarHBondContact O-OG 2.71Å; P608-S610 VanDerWaalsContact C-N 3.3Å; P608-S610 PolarHBondContact O-N 3.32Å; S610-L612 VanDerWaalsContact C-N 3.3Å; S610-L612 PolarHBondContact O-N 3.35Å; S610-K654 WeakPolarHBondContact O-CD 3.3Å; S610-K654 WeakPolarHBondContact O-CE 3.35Å; S610-K654 PolarHBondContact O-NZ 3.34Å
611E93.5Very high94.7Very high1 Ų156.2 Ų56.21%0.00530%0.302CS..THydrogen-bonded Turntrans-80.1-4.4178.571.5-84-160.300114.5G609 K654 V657 Y664 L666 R726G609-E611 WeakPolarHBondContact CA-OE2 3.41Å; G609-E611 PolarHBondContact N-OE2 2.75Å; G609-E611 PolarHBondContact O-N 2.88Å; E611-K654 PolarHBondContact O-N 2.74Å; E611-V657 HydrophobicContact CB-CG2 3.72Å; E611-V657 WeakPolarHBondContact O-CG2 3.47Å; E611-Y664 HydrophobicContact CB-CD1 3.53Å; E611-Y664 HydrophobicContact CB-CE1 3.55Å; E611-Y664 HydrophobicContact CG-CD1 4.25Å; E611-L666 HydrophobicContact CG-CB 4.17Å; E611-L666 HydrophobicContact CG-CD2 3.71Å; E611-R726 IonicContact OE1-CZ 2.76Å; E611-R726 VanDerWaalsContact OE1-CZ 3.23Å; E611-R726 IonicContact OE1-NH1 3.71Å; E611-R726 PolarHBondContact OE1-NH1 3.03Å; E611-R726 IonicContact OE1-NH2 3.41Å; E611-R726 PolarHBondContact OE1-NH2 3.34Å
612L95.6Very high94.7Very high14 Ų1459.9 Ų59.97%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-118.9153.7-176.5-58.2171.2000112.4G609 S610 R651 M652 V653 K654 L666 F673 L681G609-L612 PolarHBondContact O-N 3.44Å; S610-L612 VanDerWaalsContact C-N 3.3Å; S610-L612 PolarHBondContact O-N 3.35Å; L612-R651 HydrophobicContact CD1-CB 4.44Å; L612-R651 HydrophobicContact CD1-CG 4.18Å; L612-R651 HydrophobicContact CD2-CB 4.5Å; L612-M652 WeakPolarHBondContact CA-O 3.31Å; L612-V653 HydrophobicContact CD2-CG2 4.28Å; L612-K654 WeakPolarHBondContact O-CE 3.14Å; L612-L666 HydrophobicContact CD2-CD2 3.6Å; L612-L666 HydrophobicContact CG-CD2 4.45Å; L612-F673 HydrophobicContact CD2-CE1 4.44Å; L612-F673 HydrophobicContact CD2-CZ 3.92Å; L612-L681 HydrophobicContact CD1-CB 4.17Å; L612-L681 WeakPolarHBondContact CD1-O 3.38Å
613E94.7Very high94.7Very high106 Ų10664.4 Ų64.450%0.49534%0.336SS..EExtended strand (participates in β ladder)trans-117.5148.5168.3-72174.8-176.100110.4R651 M652 K654E613-R651 CarbonylContact O-C 3.48Å; E613-R651 VanDerWaalsContact O-CA 3.26Å; E613-R651 WeakPolarHBondContact O-CA 3.42Å; E613-M652 PolarHBondContact N-O 3.06Å; E613-M652 PolarHBondContact O-N 3.34Å; E613-K654 HydrophobicContact CG-CD 4.15Å; E613-K654 VanDerWaalsContact CG-CE 3.42Å; E613-K654 HydrophobicContact CG-CG 3.62Å; E613-K654 WeakPolarHBondContact OE1-CE 3.47Å; E613-K654 WeakPolarHBondContact OE1-CG 3.48Å
614I94.6Very high94.8Very high128 Ų12859.6 Ų59.666%0.65631%0.31SS*.EExtended strand (participates in β ladder)trans-74.9132.7171.6-60.1175.4000107.9
615C93.5Very high94.7Very high18 Ų1867.5 Ų67.512%0.12234%0.344CS..  trans-111.9159.5174.649.30000112.7C650 R651 M652C615-C650 HydrophobicContact CB-CB 4.25Å; C615-C650 WeakPolarHBondContact CB-SG 3.49Å; C615-C650 PolarHBondContact N-O 2.83Å; C615-C650 WeakPolarHBondContact O-CB 3.25Å; C615-C650 PolarHBondContact O-SG 3.14Å; C615-C650 WeakPolarHBondContact SG-CB 3.26Å; C615-C650 CovalentContact SG-SG 2.04Å; C615-C650 PolarHBondContact SG-SG 3.18Å; C615-R651 PolarHBondContact SG-N 3.36Å; C615-R651 PolarHBondContact SG-O 3.34Å; C615-M652 HydrophobicContact CB-CB 4.36Å
616T95.4Very high94.6Very high109 Ų10969.2 Ų69.267%0.66936%0.357SS*.  trans-105119.3163.6-62.40000107.4S618 L647T616-S618 PolarHBondContact O-N 3.16Å; T616-L647 HydrophobicContact CG2-CD2 3.88Å
617P96.3Very high94.7Very high5 Ų566.5 Ų66.53%0.03234%0.342CS..  trans-60.2136.1178.2-16.728.1000111D619 W620 C650 I674 M700 T703P617-D619 PolarHBondContact O-N 3.18Å; P617-D619 VanDerWaalsContact O-N 3.12Å; P617-W620 HydrophobicContact CB-CB 4.18Å; P617-W620 HydrophobicContact CG-CB 4.4Å; P617-W620 WeakPolarHBondContact O-CB 3.42Å; P617-W620 PolarHBondContact O-N 3.32Å; P617-W620 VanDerWaalsContact O-N 3.16Å; P617-C650 HydrophobicContact CG-CB 4.09Å; P617-I674 HydrophobicContact CG-CD1 4.45Å; P617-M700 HydrophobicContact CB-CE 3.38Å; P617-M700 HydrophobicContact CG-CE 3.75Å; P617-T703 HydrophobicContact CB-CG2 4.04Å; P617-T703 VanDerWaalsContact CB-OG1 3.26Å; P617-T703 WeakPolarHBondContact CB-OG1 3.5Å
618S93.8Very high94.7Very high95 Ų9562 Ų6266%0.66433%0.332SS*.THydrogen-bonded Turntrans-62.7-23.5-168.566.10000115.2T616T616-S618 PolarHBondContact O-N 3.16Å
619D96.5Very high94.8Very high30 Ų3063.7 Ų63.716%0.1634%0.342CS..THydrogen-bonded Turntrans-115.614.1-174.957.5-4.1000112P617 M700 Y701 N702 T703P617-D619 PolarHBondContact O-N 3.18Å; P617-D619 VanDerWaalsContact O-N 3.12Å; D619-M700 WeakPolarHBondContact OD2-CA 3.5Å; D619-Y701 PolarHBondContact OD2-N 2.56Å; D619-N702 HydrophobicContact CB-CB 4.4Å; D619-N702 WeakPolarHBondContact OD2-CA 3.34Å; D619-N702 WeakPolarHBondContact OD2-CB 3.46Å; D619-N702 PolarHBondContact OD2-N 3.2Å; D619-T703 WeakPolarHBondContact OD1-CB 3.46Å; D619-T703 PolarHBondContact OD1-OG1 3.33Å; D619-T703 PolarHBondContact OD2-N 3.41Å; D619-T703 VanDerWaalsContact OD2-N 3.13Å
620W97.5Very high95Very high54 Ų5462.7 Ų62.721%0.20533%0.331CS..  trans-69.9134.3174.6-174.189.2000110.8P617 P622 H643 Q644 L647 M700P617-W620 HydrophobicContact CB-CB 4.18Å; P617-W620 HydrophobicContact CG-CB 4.4Å; P617-W620 WeakPolarHBondContact O-CB 3.42Å; P617-W620 PolarHBondContact O-N 3.32Å; P617-W620 VanDerWaalsContact O-N 3.16Å; W620-P622 VanDerWaalsContact CH2-CA 3.47Å; W620-P622 HydrophobicContact CH2-CB 3.7Å; W620-P622 HydrophobicContact CZ3-CB 4.01Å; W620-P622 HydrophobicContact CZ3-CG 4.42Å; W620-H643 AromaticContact CD1-CE1 3.72Å; W620-H643 AromaticContact CD1-NE2 3.37Å; W620-H643 AromaticContact CE2-CD2 3.88Å; W620-H643 AromaticContact CE2-NE2 3.65Å; W620-H643 AromaticContact NE1-CD2 3.38Å; W620-H643 PolarHBondContact NE1-CD2 2.94Å; W620-H643 AromaticContact NE1-CE1 3.74Å; W620-H643 AromaticContact NE1-NE2 3.07Å; W620-H643 PolarHBondContact NE1-NE2 2.65Å; W620-H643 PolarHBondContact NE1-O 3.2Å; W620-Q644 HydrophobicContact CZ2-CG 4.08Å; W620-L647 HydrophobicContact CB-CD2 4.42Å; W620-L647 HydrophobicContact CD2-CD1 4.14Å; W620-L647 HydrophobicContact CD2-CD2 3.74Å; W620-L647 HydrophobicContact CD2-CG 4.05Å; W620-L647 HydrophobicContact CE3-CD1 4.27Å; W620-L647 HydrophobicContact CE3-CD2 4.16Å; W620-L647 HydrophobicContact CG-CD2 3.84Å; W620-L647 HydrophobicContact CG-CG 4.38Å; W620-L647 HydrophobicContact CH2-CD1 3.75Å; W620-L647 HydrophobicContact CZ2-CD1 3.62Å; W620-L647 HydrophobicContact CZ2-CG 4.1Å; W620-L647 HydrophobicContact CZ3-CD1 4.08Å; W620-M700 HydrophobicContact CB-CE 3.89Å; W620-M700 HydrophobicContact CG-CE 4.36Å
621T95.6Very high95.1Very high69 Ų6967.9 Ų67.942%0.42335%0.349SS..  trans-134.5141174.362.70000110.3R623 P624 H643T621-R623 PolarHBondContact O-N 3.48Å; T621-R623 VanDerWaalsContact O-N 3.13Å; T621-P624 WeakPolarHBondContact O-CD 3.29Å; T621-H643 PolarHBondContact O-CD2 3.26Å; T621-H643 PolarHBondContact O-NE2 3.44Å
622P94.3Very high95.1Very high77 Ų7768.8 Ų68.850%0.535%0.354SS..SBendtrans-65.3-22.8-171.924-34.1000114.3W620W620-P622 VanDerWaalsContact CH2-CA 3.47Å; W620-P622 HydrophobicContact CH2-CB 3.7Å; W620-P622 HydrophobicContact CZ3-CB 4.01Å; W620-P622 HydrophobicContact CZ3-CG 4.42Å
623R94.7Very high95Very high193 Ų19372.4 Ų72.473%0.72838%0.378SS*.SBendtrans-135.382.6179.3-66.5-175.1-179.4177.3-0.4110.3T621 K625 Y640T621-R623 PolarHBondContact O-N 3.48Å; T621-R623 VanDerWaalsContact O-N 3.13Å; R623-K625 PolarHBondContact O-N 3.36Å; R623-Y640 HydrophobicContact CB-CE1 3.96Å; R623-Y640 HydrophobicContact CG-CD1 4.45Å; R623-Y640 HydrophobicContact CG-CE1 4.14Å
624P95.8Very high94.9Very high3 Ų368.6 Ų68.62%0.01936%0.361CS..  trans-57.4128.1175.6-25.736.1000111T621 S626 F627 H643T621-P624 WeakPolarHBondContact O-CD 3.29Å; P624-S626 PolarHBondContact O-N 3.44Å; P624-F627 HydrophobicContact CB-CD1 4.39Å; P624-F627 HydrophobicContact CB-CD2 4.3Å; P624-F627 HydrophobicContact CB-CE1 4.37Å; P624-F627 HydrophobicContact CB-CE2 4.29Å; P624-F627 HydrophobicContact CB-CG 4.33Å; P624-F627 HydrophobicContact CB-CZ 4.3Å; P624-F627 HydrophobicContact CG-CD2 4.24Å; P624-F627 HydrophobicContact CG-CE2 3.9Å; P624-F627 HydrophobicContact CG-CZ 4.11Å; P624-F627 PolarHBondContact O-N 2.98Å; P624-F627 VanDerWaalsContact O-N 3.12Å; P624-H643 WeakPolarHBondContact CG-NE2 3.41Å
625K93.7Very high94.9Very high182 Ų18262.5 Ų62.579%0.79133%0.329SS*.G310 helixtrans-60.8-28178.8-70.2-174.4176.7-178.90112.8R623 F627 D628R623-K625 PolarHBondContact O-N 3.36Å; K625-F627 PolarHBondContact O-N 2.72Å; K625-F627 VanDerWaalsContact O-N 3.15Å; K625-D628 WeakPolarHBondContact O-CB 3.41Å; K625-D628 PolarHBondContact O-N 3.04Å; K625-D628 VanDerWaalsContact O-N 3.16Å
626S94.6Very high95Very high40 Ų4065.1 Ų65.128%0.2834%0.337SS..G310 helixtrans-57.4-27.517751.90000112.4P624 D628 V629 A697 L1036P624-S626 PolarHBondContact O-N 3.44Å; S626-D628 VanDerWaalsContact C-N 3.26Å; S626-D628 PolarHBondContact O-N 3.05Å; S626-V629 WeakPolarHBondContact O-CG1 3.46Å; S626-A697 VanDerWaalsContact CB-O 3.3Å; S626-A697 WeakPolarHBondContact CB-O 3.41Å; S626-A697 PolarHBondContact OG-O 3.29Å; S626-L1036 WeakPolarHBondContact O-CD1 3.24Å
627F96.4Very high94.9Very high1 Ų165.5 Ų65.50%0.00433%0.329CS..G310 helixtrans-78.1-6.3-177.6-62.6-4.7000114P624 K625 V629 I630 A639 Y640 H643 L1032P624-F627 HydrophobicContact CB-CD1 4.39Å; P624-F627 HydrophobicContact CB-CD2 4.3Å; P624-F627 HydrophobicContact CB-CE1 4.37Å; P624-F627 HydrophobicContact CB-CE2 4.29Å; P624-F627 HydrophobicContact CB-CG 4.33Å; P624-F627 HydrophobicContact CB-CZ 4.3Å; P624-F627 HydrophobicContact CG-CD2 4.24Å; P624-F627 HydrophobicContact CG-CE2 3.9Å; P624-F627 HydrophobicContact CG-CZ 4.11Å; P624-F627 PolarHBondContact O-N 2.98Å; P624-F627 VanDerWaalsContact O-N 3.12Å; K625-F627 PolarHBondContact O-N 2.72Å; K625-F627 VanDerWaalsContact O-N 3.15Å; F627-V629 PolarHBondContact O-N 3.2Å; F627-V629 VanDerWaalsContact O-N 3.16Å; F627-I630 HydrophobicContact CB-CD1 4.11Å; F627-I630 HydrophobicContact CG-CD1 4.33Å; F627-I630 WeakPolarHBondContact O-CB 3.27Å; F627-I630 PolarHBondContact O-N 3Å; F627-A639 HydrophobicContact CD2-CB 3.77Å; F627-A639 HydrophobicContact CE2-CB 3.97Å; F627-A639 HydrophobicContact CG-CB 4.26Å; F627-Y640 HydrophobicContact CB-CE1 4.01Å; F627-Y640 AromaticContact CD2-CD1 3.59Å; F627-Y640 HydrophobicContact CD2-CD1 3.59Å; F627-Y640 AromaticContact CD2-CE1 3.65Å; F627-Y640 HydrophobicContact CD2-CE1 3.65Å; F627-Y640 HydrophobicContact CE2-CD1 4.2Å; F627-Y640 HydrophobicContact CG-CE1 4.31Å; F627-H643 HydrophobicContact CE2-CB 3.73Å; F627-H643 HydrophobicContact CZ-CB 4.07Å; F627-L1032 HydrophobicContact CE1-CD2 4.29Å; F627-L1032 HydrophobicContact CE2-CD2 4.14Å; F627-L1032 HydrophobicContact CZ-CD1 4.43Å; F627-L1032 HydrophobicContact CZ-CD2 3.66Å
628D94.2Very high94.9Very high95 Ų9565.2 Ų65.251%0.50833%0.328SS..G310 helixtrans-63.7-21178.4-68-19.2000112.6K625 S626 I630 R636K625-D628 WeakPolarHBondContact O-CB 3.41Å; K625-D628 PolarHBondContact O-N 3.04Å; K625-D628 VanDerWaalsContact O-N 3.16Å; S626-D628 VanDerWaalsContact C-N 3.26Å; S626-D628 PolarHBondContact O-N 3.05Å; D628-I630 VanDerWaalsContact C-N 3.25Å; D628-I630 PolarHBondContact O-N 3.39Å; D628-R636 PolarHBondContact O-NH2 3.45Å
629V95Very high95.1Very high61 Ų6160.7 Ų60.737%0.3730%0.296SS..G310 helixtrans-66.4-24.8174.273.90000113.1S626 F627 K631 L1036 D1040S626-V629 WeakPolarHBondContact O-CG1 3.46Å; F627-V629 PolarHBondContact O-N 3.2Å; F627-V629 VanDerWaalsContact O-N 3.16Å; V629-K631 PolarHBondContact O-N 3.19Å; V629-K631 VanDerWaalsContact O-N 3.13Å; V629-L1036 HydrophobicContact CG1-CD1 3.73Å; V629-L1036 HydrophobicContact CG1-CG 4.46Å; V629-D1040 HydrophobicContact CG2-CB 4.34Å; V629-D1040 PolarHBondContact O-N 3.31Å
630I96.1Very high95.1Very high1 Ų161.2 Ų61.21%0.00530%0.296CS..  trans-75.9101.7-178.3-55.1169.1000108.2F627 D628 R636 A639 L1035 G1039F627-I630 HydrophobicContact CB-CD1 4.11Å; F627-I630 HydrophobicContact CG-CD1 4.33Å; F627-I630 WeakPolarHBondContact O-CB 3.27Å; F627-I630 PolarHBondContact O-N 3Å; D628-I630 VanDerWaalsContact C-N 3.25Å; D628-I630 PolarHBondContact O-N 3.39Å; I630-R636 HydrophobicContact CB-CB 4.22Å; I630-R636 HydrophobicContact CB-CG 4.45Å; I630-R636 HydrophobicContact CG2-CB 4.08Å; I630-R636 PolarHBondContact O-NE 3.43Å; I630-R636 PolarHBondContact O-NH2 3.45Å; I630-A639 HydrophobicContact CD1-CB 3.61Å; I630-L1035 HydrophobicContact CD1-CB 3.93Å; I630-L1035 HydrophobicContact CG1-CB 4.48Å; I630-G1039 CarbonylContact C-O 3.55Å; I630-G1039 WeakPolarHBondContact CA-O 3.25Å
631K94.5Very high95Very high143 Ų14359.9 Ų59.962%0.62229%0.294SS*.  trans-72.5-38.3-170.8-73.6-176.8-169.8161.40113.8V629 G1039 D1040V629-K631 PolarHBondContact O-N 3.19Å; V629-K631 VanDerWaalsContact O-N 3.13Å; K631-G1039 PolarHBondContact N-O 2.71Å; K631-D1040 WeakPolarHBondContact CD-O 3.35Å
632D94.7Very high95Very high20 Ų2056.6 Ų56.611%0.10727%0.274CS..SBendtrans-69.1123.4179.7-178.9-64.5000110.4H634 Y635 R636 L1042 A1043 V1044D632-H634 VanDerWaalsContact C-N 3.3Å; D632-H634 PolarHBondContact O-N 3.27Å; D632-H634 WeakPolarHBondContact OD1-CA 3.45Å; D632-H634 VanDerWaalsContact OD1-CB 3.28Å; D632-H634 WeakPolarHBondContact OD1-CB 3.11Å; D632-H634 IonicContact OD1-CD2 2.82Å; D632-H634 IonicContact OD1-CG 2.84Å; D632-H634 PolarHBondContact OD1-N 2.91Å; D632-Y635 HydrophobicContact CB-CD2 4Å; D632-Y635 PolarHBondContact O-N 2.6Å; D632-Y635 PolarHBondContact OD1-N 3.47Å; D632-R636 WeakPolarHBondContact O-CB 3.33Å; D632-R636 PolarHBondContact O-N 2.67Å; D632-L1042 WeakPolarHBondContact CB-O 3.45Å; D632-A1043 WeakPolarHBondContact OD2-CA 3.46Å; D632-V1044 PolarHBondContact OD2-N 3.45Å
633P93.3Very high95.1Very high90 Ų9053 Ų5358%0.58425%0.25SC*.Hα-helixtrans-66.4-29.6-174.826.3-34.3000113.1F637P633-F637 WeakPolarHBondContact O-CB 3.21Å; P633-F637 PolarHBondContact O-N 3.49Å
634H92.8Very high95.2Very high26 Ų2648.3 Ų48.312%0.1224%0.236CC..Hα-helixtrans-72.7-44.8177.9-62.3-77.5000111D632 R636 F637 W638 V1044D632-H634 VanDerWaalsContact C-N 3.3Å; D632-H634 PolarHBondContact O-N 3.27Å; D632-H634 WeakPolarHBondContact OD1-CA 3.45Å; D632-H634 VanDerWaalsContact OD1-CB 3.28Å; D632-H634 WeakPolarHBondContact OD1-CB 3.11Å; D632-H634 IonicContact OD1-CD2 2.82Å; D632-H634 IonicContact OD1-CG 2.84Å; D632-H634 PolarHBondContact OD1-N 2.91Å; H634-R636 VanDerWaalsContact C-N 3.31Å; H634-R636 PolarHBondContact O-N 2.85Å; H634-F637 PolarHBondContact O-N 2.04Å; H634-W638 WeakPolarHBondContact O-CB 3.2Å; H634-W638 PolarHBondContact O-N 2.86Å; H634-V1044 HydrophobicContact CB-CG1 3.83Å; H634-V1044 HydrophobicContact CB-CG2 4.28Å
635Y95Very high95.2Very high0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-65.5-35.4174.1-81.4-57000112.1D632 W638 A639 Y990 L1035 L1042 V1044D632-Y635 HydrophobicContact CB-CD2 4Å; D632-Y635 PolarHBondContact O-N 2.6Å; D632-Y635 PolarHBondContact OD1-N 3.47Å; Y635-W638 AromaticContact CD1-CE3 3.79Å; Y635-W638 HydrophobicContact CD1-CE3 3.79Å; Y635-W638 HydrophobicContact CD1-CZ3 4.23Å; Y635-W638 HydrophobicContact CE1-CE3 4.23Å; Y635-W638 HydrophobicContact CE1-CZ3 4.32Å; Y635-W638 PolarHBondContact O-N 2.93Å; Y635-A639 WeakPolarHBondContact O-CB 3.19Å; Y635-A639 PolarHBondContact O-N 3.07Å; Y635-Y990 HydrophobicContact CD1-CG 4.49Å; Y635-Y990 HydrophobicContact CE1-CD1 4.17Å; Y635-Y990 HydrophobicContact CE1-CD2 4.5Å; Y635-Y990 AromaticContact CE1-CG 3.96Å; Y635-Y990 HydrophobicContact CE1-CG 3.96Å; Y635-L1035 HydrophobicContact CD1-CD2 3.95Å; Y635-L1035 HydrophobicContact CG-CD2 4.25Å; Y635-L1042 HydrophobicContact CD2-CB 3.89Å; Y635-L1042 HydrophobicContact CE2-CB 3.98Å; Y635-V1044 HydrophobicContact CD2-CG1 3.77Å; Y635-V1044 HydrophobicContact CE1-CG1 4.42Å; Y635-V1044 HydrophobicContact CE2-CB 4.38Å; Y635-V1044 HydrophobicContact CE2-CG1 3.57Å; Y635-V1044 HydrophobicContact CG-CG1 4.28Å
636R95.2Very high95.4Very high74 Ų7440.5 Ų40.528%0.27920%0.202SC..Hα-helixtrans-65.5-43.5174.5-167.3-175.7-62.3169.8-3.4111.6D628 I630 D632 H634 W638 A639 Y640D628-R636 PolarHBondContact O-NH2 3.45Å; I630-R636 HydrophobicContact CB-CB 4.22Å; I630-R636 HydrophobicContact CB-CG 4.45Å; I630-R636 HydrophobicContact CG2-CB 4.08Å; I630-R636 PolarHBondContact O-NE 3.43Å; I630-R636 PolarHBondContact O-NH2 3.45Å; D632-R636 WeakPolarHBondContact O-CB 3.33Å; D632-R636 PolarHBondContact O-N 2.67Å; H634-R636 VanDerWaalsContact C-N 3.31Å; H634-R636 PolarHBondContact O-N 2.85Å; R636-W638 VanDerWaalsContact C-N 3.34Å; R636-A639 WeakPolarHBondContact O-CB 3.41Å; R636-A639 PolarHBondContact O-N 2.91Å; R636-Y640 HydrophobicContact CG-CD2 4.4Å; R636-Y640 HydrophobicContact CG-CE2 3.73Å; R636-Y640 VanDerWaalsContact O-CD2 3.29Å; R636-Y640 WeakPolarHBondContact O-CD2 3.46Å; R636-Y640 PolarHBondContact O-N 3.18Å
637F94Very high95.5Very high116 Ų11641 Ų4151%0.50920%0.201SC..Hα-helixtrans-61.6-42.4173.5177.6-97.4000112.1P633 H634 A639 Y640 T641P633-F637 WeakPolarHBondContact O-CB 3.21Å; P633-F637 PolarHBondContact O-N 3.49Å; H634-F637 PolarHBondContact O-N 2.04Å; F637-A639 VanDerWaalsContact C-N 3.33Å; F637-A639 PolarHBondContact O-N 3.29Å; F637-Y640 PolarHBondContact O-N 3.19Å; F637-T641 PolarHBondContact O-N 2.8Å; F637-T641 PolarHBondContact O-OG1 2.93Å
638W95.3Very high95.4Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-60.2-43.4174.1-177.651.1000111.7H634 Y635 R636 Y640 T641 V642 L986 N989 Y990 F993 M1000 A1031 L1035H634-W638 WeakPolarHBondContact O-CB 3.2Å; H634-W638 PolarHBondContact O-N 2.86Å; Y635-W638 AromaticContact CD1-CE3 3.79Å; Y635-W638 HydrophobicContact CD1-CE3 3.79Å; Y635-W638 HydrophobicContact CD1-CZ3 4.23Å; Y635-W638 HydrophobicContact CE1-CE3 4.23Å; Y635-W638 HydrophobicContact CE1-CZ3 4.32Å; Y635-W638 PolarHBondContact O-N 2.93Å; R636-W638 VanDerWaalsContact C-N 3.34Å; W638-Y640 PolarHBondContact O-N 2.94Å; W638-T641 PolarHBondContact O-N 3.33Å; W638-T641 VanDerWaalsContact O-N 3.11Å; W638-V642 HydrophobicContact CD2-CG2 4.31Å; W638-V642 HydrophobicContact CG-CG2 4.33Å; W638-V642 HydrophobicContact CZ2-CG2 4.34Å; W638-V642 WeakPolarHBondContact O-CG2 3.15Å; W638-V642 PolarHBondContact O-N 2.65Å; W638-L986 HydrophobicContact CH2-CD2 4.2Å; W638-L986 HydrophobicContact CZ3-CD2 4.07Å; W638-N989 HydrophobicContact CH2-CB 3.67Å; W638-N989 HydrophobicContact CZ2-CB 3.72Å; W638-Y990 HydrophobicContact CB-CD2 3.91Å; W638-Y990 HydrophobicContact CB-CE2 3.88Å; W638-Y990 AromaticContact CD1-CD2 3.95Å; W638-Y990 AromaticContact CD2-CD2 3.74Å; W638-Y990 HydrophobicContact CD2-CD2 3.74Å; W638-Y990 HydrophobicContact CE3-CD2 4.21Å; W638-Y990 AromaticContact CG-CD2 3.6Å; W638-Y990 HydrophobicContact CG-CD2 3.6Å; W638-Y990 HydrophobicContact CG-CE2 4.04Å; W638-F993 AromaticContact CD1-CD1 3.45Å; W638-F993 VanDerWaalsContact CD1-CD1 3.45Å; W638-F993 AromaticContact CD1-CD2 3.74Å; W638-F993 AromaticContact CD1-CE1 3.58Å; W638-F993 AromaticContact CD1-CE2 3.82Å; W638-F993 AromaticContact CD1-CG 3.56Å; W638-F993 AromaticContact CD1-CZ 3.76Å; W638-F993 AromaticContact NE1-CD1 3.68Å; W638-F993 AromaticContact NE1-CD2 3.43Å; W638-F993 AromaticContact NE1-CE2 3.94Å; W638-F993 AromaticContact NE1-CG 3.28Å; W638-F993 VanDerWaalsContact NE1-CG 3.28Å; W638-M1000 HydrophobicContact CZ2-CE 3.91Å; W638-M1000 HydrophobicContact CZ2-SD 3.89Å; W638-A1031 HydrophobicContact CH2-CB 3.95Å; W638-A1031 HydrophobicContact CZ2-CB 4.48Å; W638-L1035 HydrophobicContact CE3-CD1 3.61Å; W638-L1035 HydrophobicContact CE3-CD2 4.14Å; W638-L1035 HydrophobicContact CE3-CG 4.36Å; W638-L1035 HydrophobicContact CZ3-CD1 3.68Å; W638-L1035 HydrophobicContact CZ3-CD2 4.07Å; W638-L1035 HydrophobicContact CZ3-CG 4.12Å
639A97Very high95.5Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-57.9-45.8175.200000112F627 I630 Y635 R636 F637 T641 V642 H643 L1032 L1035F627-A639 HydrophobicContact CD2-CB 3.77Å; F627-A639 HydrophobicContact CE2-CB 3.97Å; F627-A639 HydrophobicContact CG-CB 4.26Å; I630-A639 HydrophobicContact CD1-CB 3.61Å; Y635-A639 WeakPolarHBondContact O-CB 3.19Å; Y635-A639 PolarHBondContact O-N 3.07Å; R636-A639 WeakPolarHBondContact O-CB 3.41Å; R636-A639 PolarHBondContact O-N 2.91Å; F637-A639 VanDerWaalsContact C-N 3.33Å; F637-A639 PolarHBondContact O-N 3.29Å; A639-T641 VanDerWaalsContact C-N 3.32Å; A639-T641 PolarHBondContact O-N 2.88Å; A639-V642 PolarHBondContact O-N 3.42Å; A639-H643 VanDerWaalsContact O-CB 3.25Å; A639-H643 WeakPolarHBondContact O-CB 3.43Å; A639-H643 PolarHBondContact O-N 3.29Å; A639-L1032 HydrophobicContact CB-CD2 4.11Å; A639-L1035 HydrophobicContact CB-CD1 4Å
640Y96.7Very high95.6Very high41 Ų4139 Ų3916%0.16119%0.187CC..Hα-helixtrans-60.8-40.9174.7-65.9-46.3000112.2R623 F627 R636 F637 W638 H643 Q644R623-Y640 HydrophobicContact CB-CE1 3.96Å; R623-Y640 HydrophobicContact CG-CD1 4.45Å; R623-Y640 HydrophobicContact CG-CE1 4.14Å; F627-Y640 HydrophobicContact CB-CE1 4.01Å; F627-Y640 AromaticContact CD2-CD1 3.59Å; F627-Y640 HydrophobicContact CD2-CD1 3.59Å; F627-Y640 AromaticContact CD2-CE1 3.65Å; F627-Y640 HydrophobicContact CD2-CE1 3.65Å; F627-Y640 HydrophobicContact CE2-CD1 4.2Å; F627-Y640 HydrophobicContact CG-CE1 4.31Å; R636-Y640 HydrophobicContact CG-CD2 4.4Å; R636-Y640 HydrophobicContact CG-CE2 3.73Å; R636-Y640 VanDerWaalsContact O-CD2 3.29Å; R636-Y640 WeakPolarHBondContact O-CD2 3.46Å; R636-Y640 PolarHBondContact O-N 3.18Å; F637-Y640 PolarHBondContact O-N 3.19Å; W638-Y640 PolarHBondContact O-N 2.94Å; Y640-H643 PolarHBondContact O-N 3.31Å; Y640-Q644 WeakPolarHBondContact O-CG 3.25Å; Y640-Q644 PolarHBondContact O-N 3.06Å
641T95.4Very high95.7Very high26 Ų2640.9 Ų40.916%0.1619%0.194CC..Hα-helixtrans-71.1-37.8-179.2-48.30000112.3F637 W638 A639 H643 Q644 F993F637-T641 PolarHBondContact O-N 2.8Å; F637-T641 PolarHBondContact O-OG1 2.93Å; W638-T641 PolarHBondContact O-N 3.33Å; W638-T641 VanDerWaalsContact O-N 3.11Å; A639-T641 VanDerWaalsContact C-N 3.32Å; A639-T641 PolarHBondContact O-N 2.88Å; T641-H643 VanDerWaalsContact C-N 3.35Å; T641-Q644 PolarHBondContact O-N 3.01Å; T641-F993 HydrophobicContact CG2-CE2 3.96Å; T641-F993 HydrophobicContact CG2-CZ 3.63Å
642V96.8Very high95.7Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-65.6-40.5172.1173.90000110.3W638 A639 Q644 K645 M1000 N1028 L1032W638-V642 HydrophobicContact CD2-CG2 4.31Å; W638-V642 HydrophobicContact CG-CG2 4.33Å; W638-V642 HydrophobicContact CZ2-CG2 4.34Å; W638-V642 WeakPolarHBondContact O-CG2 3.15Å; W638-V642 PolarHBondContact O-N 2.65Å; A639-V642 PolarHBondContact O-N 3.42Å; V642-Q644 VanDerWaalsContact C-N 3.32Å; V642-Q644 PolarHBondContact O-N 3.34Å; V642-K645 VanDerWaalsContact O-CB 3.23Å; V642-K645 WeakPolarHBondContact O-CB 3.46Å; V642-K645 WeakPolarHBondContact O-CG 3.38Å; V642-K645 PolarHBondContact O-N 2.92Å; V642-M1000 HydrophobicContact CG2-CE 4.34Å; V642-M1000 HydrophobicContact CG2-CG 4.3Å; V642-M1000 HydrophobicContact CG2-SD 4.2Å; V642-N1028 HydrophobicContact CG1-CB 3.67Å; V642-L1032 HydrophobicContact CB-CD2 4.2Å; V642-L1032 HydrophobicContact CG1-CD1 4.13Å; V642-L1032 HydrophobicContact CG1-CD2 4.08Å; V642-L1032 HydrophobicContact CG1-CG 3.87Å
643H96.9Very high95.8Very high0 Ų035.7 Ų35.70%017%0.173CC..Hα-helixtrans-63.6-33176.217776.4000113.4W620 T621 P624 F627 A639 Y640 T641 K645 W646 S698 M700W620-H643 AromaticContact CD1-CE1 3.72Å; W620-H643 AromaticContact CD1-NE2 3.37Å; W620-H643 AromaticContact CE2-CD2 3.88Å; W620-H643 AromaticContact CE2-NE2 3.65Å; W620-H643 AromaticContact NE1-CD2 3.38Å; W620-H643 PolarHBondContact NE1-CD2 2.94Å; W620-H643 AromaticContact NE1-CE1 3.74Å; W620-H643 AromaticContact NE1-NE2 3.07Å; W620-H643 PolarHBondContact NE1-NE2 2.65Å; W620-H643 PolarHBondContact NE1-O 3.2Å; T621-H643 PolarHBondContact O-CD2 3.26Å; T621-H643 PolarHBondContact O-NE2 3.44Å; P624-H643 WeakPolarHBondContact CG-NE2 3.41Å; F627-H643 HydrophobicContact CE2-CB 3.73Å; F627-H643 HydrophobicContact CZ-CB 4.07Å; A639-H643 VanDerWaalsContact O-CB 3.25Å; A639-H643 WeakPolarHBondContact O-CB 3.43Å; A639-H643 PolarHBondContact O-N 3.29Å; Y640-H643 PolarHBondContact O-N 3.31Å; T641-H643 VanDerWaalsContact C-N 3.35Å; H643-K645 PolarHBondContact O-N 3.16Å; H643-W646 AromaticContact CE1-CD1 3.94Å; H643-W646 AromaticContact ND1-CD1 3.46Å; H643-W646 AromaticContact ND1-NE1 3.76Å; H643-W646 PolarHBondContact O-N 3.23Å; H643-S698 VanDerWaalsContact CE1-CB 3.46Å; H643-S698 WeakPolarHBondContact CE1-CB 3.12Å; H643-S698 VanDerWaalsContact ND1-CB 3.3Å; H643-S698 WeakPolarHBondContact ND1-CB 3.15Å; H643-S698 PolarHBondContact ND1-OG 2.99Å; H643-M700 PolarHBondContact CE1-SD 3.45Å
644Q96.2Very high95.9Very high95 Ų9534.5 Ų34.544%0.44416%0.158SC..Hα-helixtrans-61.3-24.7172-75.8176.2-10.900112.9W620 Y640 T641 V642 W646 L647W620-Q644 HydrophobicContact CZ2-CG 4.08Å; Y640-Q644 WeakPolarHBondContact O-CG 3.25Å; Y640-Q644 PolarHBondContact O-N 3.06Å; T641-Q644 PolarHBondContact O-N 3.01Å; V642-Q644 VanDerWaalsContact C-N 3.32Å; V642-Q644 PolarHBondContact O-N 3.34Å; Q644-W646 PolarHBondContact O-N 3.1Å; Q644-L647 WeakPolarHBondContact O-CB 3.46Å; Q644-L647 PolarHBondContact O-N 3.3Å; Q644-L647 VanDerWaalsContact O-N 3.08Å
645K95.8Very high96Very high21 Ų2138.8 Ų38.89%0.09118%0.182CC..Hα-helixtrans-65.1-19.7178.8-59.5-172.8177-68.30113V642 H643 L647 I648 L649 G998 M1000 G1023V642-K645 VanDerWaalsContact O-CB 3.23Å; V642-K645 WeakPolarHBondContact O-CB 3.46Å; V642-K645 WeakPolarHBondContact O-CG 3.38Å; V642-K645 PolarHBondContact O-N 2.92Å; H643-K645 PolarHBondContact O-N 3.16Å; K645-L647 PolarHBondContact O-N 2.78Å; K645-I648 WeakPolarHBondContact O-CB 3.42Å; K645-I648 PolarHBondContact O-N 3.21Å; K645-L649 WeakPolarHBondContact O-CG 2.84Å; K645-L649 PolarHBondContact O-N 2.77Å; K645-G998 WeakPolarHBondContact CE-O 3.42Å; K645-G998 PolarHBondContact NZ-O 3.43Å; K645-M1000 HydrophobicContact CD-CB 4.23Å; K645-M1000 HydrophobicContact CD-CG 3.99Å; K645-M1000 VanDerWaalsContact CE-CG 3.44Å; K645-G1023 WeakPolarHBondContact CD-O 3.41Å
646W97.1Very high95.8Very high0 Ų044.1 Ų44.10%021%0.207CC..Hα-helixtrans-60-33.3172.2-58.8138.6000112.7H643 Q644 I648 L649 C650 I674 I691 L695 M700 N1028 L1032H643-W646 AromaticContact CE1-CD1 3.94Å; H643-W646 AromaticContact ND1-CD1 3.46Å; H643-W646 AromaticContact ND1-NE1 3.76Å; H643-W646 PolarHBondContact O-N 3.23Å; Q644-W646 PolarHBondContact O-N 3.1Å; W646-I648 VanDerWaalsContact C-N 3.28Å; W646-I648 PolarHBondContact O-N 3.42Å; W646-L649 HydrophobicContact CE3-CD1 4.39Å; W646-L649 HydrophobicContact CZ3-CD1 4.35Å; W646-L649 PolarHBondContact O-N 3.02Å; W646-C650 VanDerWaalsContact O-CB 3.31Å; W646-C650 WeakPolarHBondContact O-CB 3.34Å; W646-C650 PolarHBondContact O-N 2.88Å; W646-I674 HydrophobicContact CE3-CG2 3.62Å; W646-I674 HydrophobicContact CZ3-CG2 3.68Å; W646-I691 HydrophobicContact CH2-CG2 4.19Å; W646-I691 HydrophobicContact CZ3-CG1 4.45Å; W646-I691 HydrophobicContact CZ3-CG2 4.01Å; W646-L695 HydrophobicContact CD2-CD2 4.12Å; W646-L695 HydrophobicContact CG-CD2 4.18Å; W646-M700 HydrophobicContact CG-SD 4.44Å; W646-N1028 HydrophobicContact CH2-CB 3.75Å; W646-N1028 HydrophobicContact CZ2-CB 4.14Å; W646-N1028 HydrophobicContact CZ3-CB 4.23Å; W646-L1032 HydrophobicContact CZ2-CD1 3.94Å
647L96.1Very high95.7Very high50 Ų5040.6 Ų40.626%0.26219%0.194SC..Hα-helixtrans-66.1-31.6173.6-61179000112.5T616 W620 Q644 K645T616-L647 HydrophobicContact CG2-CD2 3.88Å; W620-L647 HydrophobicContact CB-CD2 4.42Å; W620-L647 HydrophobicContact CD2-CD1 4.14Å; W620-L647 HydrophobicContact CD2-CD2 3.74Å; W620-L647 HydrophobicContact CD2-CG 4.05Å; W620-L647 HydrophobicContact CE3-CD1 4.27Å; W620-L647 HydrophobicContact CE3-CD2 4.16Å; W620-L647 HydrophobicContact CG-CD2 3.84Å; W620-L647 HydrophobicContact CG-CG 4.38Å; W620-L647 HydrophobicContact CH2-CD1 3.75Å; W620-L647 HydrophobicContact CZ2-CD1 3.62Å; W620-L647 HydrophobicContact CZ2-CG 4.1Å; W620-L647 HydrophobicContact CZ3-CD1 4.08Å; Q644-L647 WeakPolarHBondContact O-CB 3.46Å; Q644-L647 PolarHBondContact O-N 3.3Å; Q644-L647 VanDerWaalsContact O-N 3.08Å; K645-L647 PolarHBondContact O-N 2.78Å
648I94.3Very high95.4Very high107 Ų10738.6 Ų38.655%0.54919%0.186SC..Hα-helixtrans-81.3-31.7-178.3-55.6174.9000111K645 W646 R651K645-I648 WeakPolarHBondContact O-CB 3.42Å; K645-I648 PolarHBondContact O-N 3.21Å; W646-I648 VanDerWaalsContact C-N 3.28Å; W646-I648 PolarHBondContact O-N 3.42Å; I648-R651 PolarHBondContact O-NH1 3.49Å; I648-R651 PolarHBondContact O-NH2 3.48Å
649L97Very high95.1Very high8 Ų846 Ų464%0.04222%0.218CC..Hα-helixtrans-96.5-11.2-175-62.5175.1000113.7K645 W646 R651 I674 I675K645-L649 WeakPolarHBondContact O-CG 2.84Å; K645-L649 PolarHBondContact O-N 2.77Å; W646-L649 HydrophobicContact CE3-CD1 4.39Å; W646-L649 HydrophobicContact CZ3-CD1 4.35Å; W646-L649 PolarHBondContact O-N 3.02Å; L649-R651 PolarHBondContact O-N 2.86Å; L649-I674 HydrophobicContact CB-CG2 3.75Å; L649-I674 HydrophobicContact CD1-CG2 4.48Å; L649-I675 HydrophobicContact CB-CG1 4.33Å; L649-I675 HydrophobicContact CD2-CG1 4.07Å; L649-I675 WeakPolarHBondContact O-CG1 3.27Å; L649-I675 PolarHBondContact O-N 3.01Å
650C97.6Very high94.6Very high0 Ų049.1 Ų49.10%024%0.235CC..EExtended strand (participates in β ladder)trans-68.8125.9176.6-168.10000111.1C615 P617 W646 I674C615-C650 HydrophobicContact CB-CB 4.25Å; C615-C650 WeakPolarHBondContact CB-SG 3.49Å; C615-C650 PolarHBondContact N-O 2.83Å; C615-C650 WeakPolarHBondContact O-CB 3.25Å; C615-C650 PolarHBondContact O-SG 3.14Å; C615-C650 WeakPolarHBondContact SG-CB 3.26Å; C615-C650 CovalentContact SG-SG 2.04Å; C615-C650 PolarHBondContact SG-SG 3.18Å; P617-C650 HydrophobicContact CG-CB 4.09Å; W646-C650 VanDerWaalsContact O-CB 3.31Å; W646-C650 WeakPolarHBondContact O-CB 3.34Å; W646-C650 PolarHBondContact O-N 2.88Å; C650-I674 HydrophobicContact CB-CD1 3.7Å
651R97Very high94.2Very high41 Ų4149.7 Ų49.716%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-125149.3174-63.1-65.9176.4-83.4-5.1111.8L612 E613 C615 I648 L649 P672 F673 I675L612-R651 HydrophobicContact CD1-CB 4.44Å; L612-R651 HydrophobicContact CD1-CG 4.18Å; L612-R651 HydrophobicContact CD2-CB 4.5Å; E613-R651 CarbonylContact O-C 3.48Å; E613-R651 VanDerWaalsContact O-CA 3.26Å; E613-R651 WeakPolarHBondContact O-CA 3.42Å; C615-R651 PolarHBondContact SG-N 3.36Å; C615-R651 PolarHBondContact SG-O 3.34Å; I648-R651 PolarHBondContact O-NH1 3.49Å; I648-R651 PolarHBondContact O-NH2 3.48Å; L649-R651 PolarHBondContact O-N 2.86Å; R651-P672 WeakPolarHBondContact O-CA 3.47Å; R651-F673 HydrophobicContact CB-CE1 4.17Å; R651-F673 HydrophobicContact CB-CE2 4.07Å; R651-F673 HydrophobicContact CB-CZ 3.85Å; R651-F673 PolarHBondContact N-O 2.62Å; R651-F673 WeakPolarHBondContact O-CD1 3.29Å; R651-F673 PolarHBondContact O-N 3.31Å; R651-I675 HydrophobicContact CB-CG2 4.28Å; R651-I675 HydrophobicContact CG-CD1 4.1Å; R651-I675 HydrophobicContact CG-CG1 4.47Å; R651-I675 HydrophobicContact CG-CG2 3.79Å
652M96.2Very high93.8Very high52 Ų5251 Ų5126%0.25625%0.25SC..EExtended strand (participates in β ladder)trans-124.2141.1168.6-172.665.3-179.500108.5L612 E613 C615 K670 P672L612-M652 WeakPolarHBondContact CA-O 3.31Å; E613-M652 PolarHBondContact N-O 3.06Å; E613-M652 PolarHBondContact O-N 3.34Å; C615-M652 HydrophobicContact CB-CB 4.36Å; M652-K670 WeakPolarHBondContact CE-O 3.33Å; M652-P672 HydrophobicContact SD-CB 4.5Å; M652-P672 HydrophobicContact SD-CG 3.93Å
653V96.4Very high93.5Very high3 Ų352.7 Ų52.72%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-75.9132.3174.2-1780000108.8L612 V657 L666 P668 V669 F673L612-V653 HydrophobicContact CD2-CG2 4.28Å; V653-V657 HydrophobicContact CG1-CB 3.58Å; V653-V657 HydrophobicContact CG1-CG1 3.81Å; V653-V657 HydrophobicContact CG1-CG2 3.92Å; V653-L666 HydrophobicContact CG1-CD2 4.27Å; V653-L666 HydrophobicContact CG2-CD2 4.05Å; V653-P668 HydrophobicContact CG1-CB 4.11Å; V653-V669 HydrophobicContact CG2-CG2 3.72Å; V653-F673 HydrophobicContact CG2-CE1 3.81Å; V653-F673 HydrophobicContact CG2-CZ 4.44Å
654K95.6Very high93.3Very high65 Ų6553.4 Ų53.428%0.28326%0.26SS..  trans-65.6145.4176.2-71.5-176.8174.6174.20111.7S610 E611 L612 E613 E656 V657S610-K654 WeakPolarHBondContact O-CD 3.3Å; S610-K654 WeakPolarHBondContact O-CE 3.35Å; S610-K654 PolarHBondContact O-NZ 3.34Å; E611-K654 PolarHBondContact O-N 2.74Å; L612-K654 WeakPolarHBondContact O-CE 3.14Å; E613-K654 HydrophobicContact CG-CD 4.15Å; E613-K654 VanDerWaalsContact CG-CE 3.42Å; E613-K654 HydrophobicContact CG-CG 3.62Å; E613-K654 WeakPolarHBondContact OE1-CE 3.47Å; E613-K654 WeakPolarHBondContact OE1-CG 3.48Å; K654-E656 PolarHBondContact O-N 3.42Å; K654-E656 VanDerWaalsContact O-N 3.11Å; K654-V657 HydrophobicContact CB-CG2 4.16Å; K654-V657 WeakPolarHBondContact O-CB 3.4Å; K654-V657 PolarHBondContact O-N 3.16Å
655D93.5Very high93.2Very high116 Ų11648.9 Ų48.962%0.6224%0.239SC*.Hα-helixtrans-55.2-31.9176.1-77.7-11.8000113.3V657 H658 K659D655-V657 VanDerWaalsContact C-N 3.29Å; D655-V657 PolarHBondContact O-N 3.47Å; D655-H658 WeakPolarHBondContact O-CB 3.26Å; D655-H658 PolarHBondContact O-N 3.01Å; D655-K659 WeakPolarHBondContact O-CG 3.22Å; D655-K659 PolarHBondContact O-N 3.13Å; D655-K659 VanDerWaalsContact O-N 3.14Å
656E91.7Very high93.2Very high112 Ų11248 Ų4852%0.52324%0.235SC..Hα-helixtrans-64.9-31.7178.4-172.3165.4-17100113.1K654 H658 K659 N660K654-E656 PolarHBondContact O-N 3.42Å; K654-E656 VanDerWaalsContact O-N 3.11Å; E656-H658 VanDerWaalsContact C-N 3.3Å; E656-H658 PolarHBondContact O-N 2.86Å; E656-K659 PolarHBondContact O-N 3.23Å; E656-N660 PolarHBondContact O-N 2.73Å
657V92.7Very high93.1Very high0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-66.6-36.7174.9-173.50000110.6E611 V653 K654 D655 K659 N660 P661 Y664 P668E611-V657 HydrophobicContact CB-CG2 3.72Å; E611-V657 WeakPolarHBondContact O-CG2 3.47Å; V653-V657 HydrophobicContact CG1-CB 3.58Å; V653-V657 HydrophobicContact CG1-CG1 3.81Å; V653-V657 HydrophobicContact CG1-CG2 3.92Å; K654-V657 HydrophobicContact CB-CG2 4.16Å; K654-V657 WeakPolarHBondContact O-CB 3.4Å; K654-V657 PolarHBondContact O-N 3.16Å; D655-V657 VanDerWaalsContact C-N 3.29Å; D655-V657 PolarHBondContact O-N 3.47Å; V657-K659 VanDerWaalsContact C-N 3.33Å; V657-N660 CarbonylContact O-C 3.54Å; V657-P661 VanDerWaalsContact O-CA 3.27Å; V657-P661 WeakPolarHBondContact O-CA 3.36Å; V657-Y664 HydrophobicContact CB-CD2 4.22Å; V657-Y664 HydrophobicContact CB-CE2 4.14Å; V657-Y664 HydrophobicContact CG1-CD1 4.42Å; V657-Y664 HydrophobicContact CG1-CD2 3.78Å; V657-Y664 HydrophobicContact CG1-CE2 4.22Å; V657-Y664 HydrophobicContact CG1-CG 3.91Å; V657-Y664 HydrophobicContact CG2-CD1 4.18Å; V657-Y664 HydrophobicContact CG2-CD2 4.35Å; V657-Y664 HydrophobicContact CG2-CE1 3.85Å; V657-Y664 HydrophobicContact CG2-CE2 4.08Å; V657-Y664 HydrophobicContact CG2-CG 4.41Å; V657-P668 HydrophobicContact CG1-CB 4.18Å
658H88.7Confident92.9Very high73 Ų7347.1 Ų47.134%0.33823%0.232SC..Hα-helixtrans-68.4-33174.9-68.7-81.3000112.5D655 E656 V669D655-H658 WeakPolarHBondContact O-CB 3.26Å; D655-H658 PolarHBondContact O-N 3.01Å; E656-H658 VanDerWaalsContact C-N 3.3Å; E656-H658 PolarHBondContact O-N 2.86Å; H658-V669 PolarHBondContact CE1-O 2.81Å; H658-V669 PolarHBondContact NE2-O 2.95Å
659K88Confident92.9Very high155 Ų15542 Ų4267%0.67421%0.206SC*.Hα-helixtrans-76.5-39.6178.8-67.9172.7-173.2173.10112.1D655 E656 V657 P661D655-K659 WeakPolarHBondContact O-CG 3.22Å; D655-K659 PolarHBondContact O-N 3.13Å; D655-K659 VanDerWaalsContact O-N 3.14Å; E656-K659 PolarHBondContact O-N 3.23Å; V657-K659 VanDerWaalsContact C-N 3.33Å; K659-P661 VanDerWaalsContact C-CD 3.46Å; K659-P661 WeakPolarHBondContact O-CD 3.11Å
660N87.7Confident92.8Very high66 Ų6649.7 Ų49.735%0.35324%0.239SC..  trans-126.557.7-173.6-57.8-47.9000112.1E656 V657 N662 H663 Y664E656-N660 PolarHBondContact O-N 2.73Å; V657-N660 CarbonylContact O-C 3.54Å; N660-N662 PolarHBondContact O-N 3.46Å; N660-H663 PolarHBondContact O-N 3.45Å; N660-Y664 WeakPolarHBondContact O-CD2 3.36Å; N660-Y664 WeakPolarHBondContact O-CE2 3.04Å
661P86.9Confident92.7Very high53 Ų5353.5 Ų53.534%0.34425%0.254SS..G310 helixtrans-60-24.9-17224.9-35.3000113.6V657 K659 H663 Y664V657-P661 VanDerWaalsContact O-CA 3.27Å; V657-P661 WeakPolarHBondContact O-CA 3.36Å; K659-P661 VanDerWaalsContact C-CD 3.46Å; K659-P661 WeakPolarHBondContact O-CD 3.11Å; P661-H663 PolarHBondContact O-N 3.34Å; P661-Y664 PolarHBondContact O-N 3Å
662N87.1Confident92.7Very high55 Ų5553.2 Ų53.229%0.29426%0.257SS..G310 helixtrans-70.6-9.6179.8-58.2-23.7000113.8S541 S544 P578 N660 Y664S541-N662 PolarHBondContact OG-ND2 3.18Å; S544-N662 VanDerWaalsContact CB-O 3.26Å; S544-N662 WeakPolarHBondContact CB-O 3.46Å; P578-N662 HydrophobicContact CG-CB 4.44Å; P578-N662 WeakPolarHBondContact CG-O 3.28Å; N660-N662 PolarHBondContact O-N 3.46Å; N662-Y664 VanDerWaalsContact C-N 3.28Å
663H91.6Very high92.8Very high34 Ų3450.9 Ų50.916%0.15725%0.245CC..G310 helixtrans-84.1-8.6174.4-72.9-146.1000112.5L574 N660 P661L574-H663 HydrophobicContact CB-CB 4.25Å; L574-H663 WeakPolarHBondContact CB-O 3.42Å; L574-H663 PolarHBondContact N-O 2.92Å; L574-H663 PolarHBondContact O-ND1 3.5Å; N660-H663 PolarHBondContact O-N 3.45Å; P661-H663 PolarHBondContact O-N 3.34Å
664Y93.1Very high92.8Very high15 Ų1550.9 Ų50.96%0.05925%0.245CC..  trans-126.5148.7-167.4-52.4-89.4000110.8S544 T573 E611 V657 N660 P661 N662S544-Y664 WeakPolarHBondContact CB-O 3.36Å; S544-Y664 PolarHBondContact OG-O 2.98Å; T573-Y664 HydrophobicContact CG2-CD1 3.61Å; T573-Y664 HydrophobicContact CG2-CE1 3.22Å; T573-Y664 WeakPolarHBondContact OG1-CD1 3.16Å; E611-Y664 HydrophobicContact CB-CD1 3.53Å; E611-Y664 HydrophobicContact CB-CE1 3.55Å; E611-Y664 HydrophobicContact CG-CD1 4.25Å; V657-Y664 HydrophobicContact CB-CD2 4.22Å; V657-Y664 HydrophobicContact CB-CE2 4.14Å; V657-Y664 HydrophobicContact CG1-CD1 4.42Å; V657-Y664 HydrophobicContact CG1-CD2 3.78Å; V657-Y664 HydrophobicContact CG1-CE2 4.22Å; V657-Y664 HydrophobicContact CG1-CG 3.91Å; V657-Y664 HydrophobicContact CG2-CD1 4.18Å; V657-Y664 HydrophobicContact CG2-CD2 4.35Å; V657-Y664 HydrophobicContact CG2-CE1 3.85Å; V657-Y664 HydrophobicContact CG2-CE2 4.08Å; V657-Y664 HydrophobicContact CG2-CG 4.41Å; N660-Y664 WeakPolarHBondContact O-CD2 3.36Å; N660-Y664 WeakPolarHBondContact O-CE2 3.04Å; P661-Y664 PolarHBondContact O-N 3Å; N662-Y664 VanDerWaalsContact C-N 3.28Å
665S94.1Very high92.9Very high0 Ų047.9 Ų47.90%023%0.232CC..SBendtrans-81.4-20162.362.80000112.3V570 R726 I727V570-S665 WeakPolarHBondContact O-CB 3.39Å; V570-S665 PolarHBondContact O-OG 3.05Å; S665-R726 CarbonylContact O-C 3.45Å; S665-R726 WeakPolarHBondContact O-CA 3.44Å; S665-R726 WeakPolarHBondContact OG-CD 3.29Å; S665-R726 PolarHBondContact OG-NH1 3.05Å; S665-I727 PolarHBondContact O-N 2.87Å
666L95.5Very high93.1Very high3 Ų342.4 Ų42.42%0.01620%0.203CC..BIsolated β-bridgetrans-66.9132.2179.5-170.676000110.7E611 L612 V653 P668 E682 G725E611-L666 HydrophobicContact CG-CB 4.17Å; E611-L666 HydrophobicContact CG-CD2 3.71Å; L612-L666 HydrophobicContact CD2-CD2 3.6Å; L612-L666 HydrophobicContact CG-CD2 4.45Å; V653-L666 HydrophobicContact CG1-CD2 4.27Å; V653-L666 HydrophobicContact CG2-CD2 4.05Å; L666-P668 WeakPolarHBondContact O-CD 3.46Å; L666-E682 HydrophobicContact CD1-CB 3.86Å; L666-G725 WeakPolarHBondContact CA-O 3.38Å; L666-G725 WeakPolarHBondContact CD1-O 3.47Å
667I93.6Very high93.2Very high6 Ų637.1 Ų37.13%0.03118%0.178CC..  trans-84.2113.4171.5-61.9170.6000107.8M714 F718 G725 I727 L730I667-M714 HydrophobicContact CG2-CE 4.3Å; I667-M714 HydrophobicContact CG2-SD 4.04Å; I667-F718 HydrophobicContact CD1-CE2 4.18Å; I667-F718 HydrophobicContact CD1-CZ 4.3Å; I667-F718 HydrophobicContact CG2-CE2 3.99Å; I667-F718 HydrophobicContact CG2-CZ 4.14Å; I667-G725 PolarHBondContact N-O 3.26Å; I667-I727 HydrophobicContact CG1-CG2 4.05Å; I667-L730 HydrophobicContact CD1-CD1 4.45Å; I667-L730 HydrophobicContact CD1-CD2 3.69Å; I667-L730 HydrophobicContact CD1-CG 4.04Å
668P93.1Very high93.2Very high25 Ų2539.1 Ų39.116%0.16220%0.199CC..  trans-66.2139-174.823.7-32000112.2V653 V657 L666 R717V653-P668 HydrophobicContact CG1-CB 4.11Å; V657-P668 HydrophobicContact CG1-CB 4.18Å; L666-P668 WeakPolarHBondContact O-CD 3.46Å; P668-R717 PolarHBondContact O-NH1 3.23Å; P668-R717 PolarHBondContact O-NH2 3.29Å
669V94.5Very high93.3Very high1 Ų137 Ų371%0.00619%0.188CC..  trans-123.2146.8173.2-72.90000110.1V653 H658 F673 Y683 N710 M714V653-V669 HydrophobicContact CG2-CG2 3.72Å; H658-V669 PolarHBondContact CE1-O 2.81Å; H658-V669 PolarHBondContact NE2-O 2.95Å; V669-F673 HydrophobicContact CG2-CD1 3.58Å; V669-F673 HydrophobicContact CG2-CE1 3.67Å; V669-F673 HydrophobicContact CG2-CG 4.5Å; V669-Y683 HydrophobicContact CG1-CD1 4.32Å; V669-Y683 HydrophobicContact CG1-CE1 3.68Å; V669-N710 HydrophobicContact CB-CB 4.31Å; V669-N710 HydrophobicContact CG1-CB 4.12Å; V669-M714 HydrophobicContact CG1-CE 3.08Å
670K93.6Very high93.6Very high168 Ų16830.2 Ų30.273%0.7316%0.159SC*.SBendtrans-81.3-17-171.9-67.2-172.9178.9-178.10114.4M652M652-K670 WeakPolarHBondContact CE-O 3.33Å
671R96.6Very high94Very high81 Ų8128.5 Ų28.531%0.30615%0.15SC..SBendtrans-120.9157.2-170.7-59.3173.1177.180.80.8111.1D706 N710R671-D706 HydrophobicContact CB-CB 4Å; R671-D706 WeakPolarHBondContact CD-OD1 3.36Å; R671-D706 IonicContact NE-OD1 2.81Å; R671-N710 WeakPolarHBondContact CB-OD1 3.37Å; R671-N710 PolarHBondContact N-OD1 2.6Å; R671-N710 PolarHBondContact O-ND2 3.33Å
672P96.8Very high94.3Very high35 Ų3526 Ų2623%0.22713%0.133CC..  trans-52.5147.1169.9-26.436000111.9R651 M652 N710R651-P672 WeakPolarHBondContact O-CA 3.47Å; M652-P672 HydrophobicContact SD-CB 4.5Å; M652-P672 HydrophobicContact SD-CG 3.93Å; P672-N710 PolarHBondContact O-ND2 3.15Å
673F97.3Very high94.6Very high3 Ų323.6 Ų23.61%0.01312%0.12CC..EExtended strand (participates in β ladder)trans-143.4155.1174.560.9-79.8000110.3L612 R651 V653 V669 I675 Y683L612-F673 HydrophobicContact CD2-CE1 4.44Å; L612-F673 HydrophobicContact CD2-CZ 3.92Å; R651-F673 HydrophobicContact CB-CE1 4.17Å; R651-F673 HydrophobicContact CB-CE2 4.07Å; R651-F673 HydrophobicContact CB-CZ 3.85Å; R651-F673 PolarHBondContact N-O 2.62Å; R651-F673 WeakPolarHBondContact O-CD1 3.29Å; R651-F673 PolarHBondContact O-N 3.31Å; V653-F673 HydrophobicContact CG2-CE1 3.81Å; V653-F673 HydrophobicContact CG2-CZ 4.44Å; V669-F673 HydrophobicContact CG2-CD1 3.58Å; V669-F673 HydrophobicContact CG2-CE1 3.67Å; V669-F673 HydrophobicContact CG2-CG 4.5Å; F673-I675 HydrophobicContact CD2-CG2 3.86Å; F673-I675 HydrophobicContact CE2-CG2 3.48Å; F673-I675 VanDerWaalsContact CE2-CG2 3.48Å; F673-Y683 HydrophobicContact CD2-CD1 4.37Å; F673-Y683 HydrophobicContact CE2-CD1 4.41Å
674I97.8Very high94.9Very high2 Ų222.9 Ų22.91%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-98.3126174.5-56.1-56000108.1P617 W646 L649 C650 I691 L695 T703 M707P617-I674 HydrophobicContact CG-CD1 4.45Å; W646-I674 HydrophobicContact CE3-CG2 3.62Å; W646-I674 HydrophobicContact CZ3-CG2 3.68Å; L649-I674 HydrophobicContact CB-CG2 3.75Å; L649-I674 HydrophobicContact CD1-CG2 4.48Å; C650-I674 HydrophobicContact CB-CD1 3.7Å; I674-I691 HydrophobicContact CB-CG2 3.74Å; I674-I691 HydrophobicContact CG1-CG2 4.15Å; I674-I691 HydrophobicContact CG2-CD1 4.2Å; I674-I691 HydrophobicContact CG2-CG2 3.77Å; I674-L695 HydrophobicContact CG1-CD1 4.32Å; I674-L695 HydrophobicContact CG1-CD2 4.47Å; I674-T703 HydrophobicContact CG1-CG2 4.43Å; I674-M707 HydrophobicContact CB-CE 4.2Å; I674-M707 HydrophobicContact CB-SD 3.82Å; I674-M707 HydrophobicContact CG1-SD 3.78Å
675I97.3Very high95.1Very high3 Ų322.1 Ų22.12%0.01511%0.113CC..  trans-83.7160.6174.467.7-179.4000111.3L649 R651 F673 F680 L681L649-I675 HydrophobicContact CB-CG1 4.33Å; L649-I675 HydrophobicContact CD2-CG1 4.07Å; L649-I675 WeakPolarHBondContact O-CG1 3.27Å; L649-I675 PolarHBondContact O-N 3.01Å; R651-I675 HydrophobicContact CB-CG2 4.28Å; R651-I675 HydrophobicContact CG-CD1 4.1Å; R651-I675 HydrophobicContact CG-CG1 4.47Å; R651-I675 HydrophobicContact CG-CG2 3.79Å; F673-I675 HydrophobicContact CD2-CG2 3.86Å; F673-I675 HydrophobicContact CE2-CG2 3.48Å; F673-I675 VanDerWaalsContact CE2-CG2 3.48Å; I675-F680 WeakPolarHBondContact CB-O 3.5Å; I675-L681 WeakPolarHBondContact CG2-O 3.41Å
676P96.9Very high95.2Very high0 Ų024 Ų240%012%0.12CC..  trans-62-52.8171.5-20.231.8000112.2F680 E682 Y684 D687 F1024 G1025P676-F680 HydrophobicContact CB-CB 4.06Å; P676-F680 HydrophobicContact CB-CD2 4.42Å; P676-F680 HydrophobicContact CG-CB 4Å; P676-E682 WeakPolarHBondContact CD-O 3.36Å; P676-Y684 HydrophobicContact CG-CD2 3.75Å; P676-Y684 HydrophobicContact CG-CG 4.21Å; P676-D687 HydrophobicContact CG-CB 4.16Å; P676-F1024 HydrophobicContact CB-CD1 4.14Å; P676-F1024 HydrophobicContact CB-CD2 4.28Å; P676-F1024 HydrophobicContact CB-CE1 3.55Å; P676-F1024 HydrophobicContact CB-CE2 3.77Å; P676-F1024 HydrophobicContact CB-CG 4.49Å; P676-F1024 HydrophobicContact CB-CZ 3.37Å; P676-F1024 HydrophobicContact CG-CZ 4.44Å; P676-F1024 CarbonylContact O-C 3.59Å; P676-F1024 WeakPolarHBondContact O-CA 3.48Å; P676-G1025 PolarHBondContact O-N 3.4Å
677G94.3Very high95.3Very high1 Ų124 Ų241%0.0112%0.12CC..BIsolated β-bridgetrans136.9168.6179.700000113.7R679 F680 E1022G677-R679 PolarHBondContact O-N 3.34Å; G677-F680 WeakPolarHBondContact O-CB 3.39Å; G677-F680 WeakPolarHBondContact O-CD2 3.38Å; G677-F680 PolarHBondContact O-N 3.08Å; G677-F680 VanDerWaalsContact O-N 3.14Å; G677-E1022 CarbonylContact C-O 3.54Å; G677-E1022 WeakPolarHBondContact CA-O 3.39Å
678G92.2Very high95.5Very high42 Ų4223.9 Ų23.943%0.43312%0.12SC..THydrogen-bonded Turntrans60.7-126.3-179.100000112.7F680 E1022G678-F680 PolarHBondContact O-N 3.32Å; G678-E1022 PolarHBondContact N-O 3.21Å
679R92.3Very high95.7Very high28 Ų2822.8 Ų22.811%0.10611%0.113CC..THydrogen-bonded Turntrans-68.4-14.5177.473-172-70.4-10416.8114.5D565 K567 G677 L681 Q1021D565-R679 IonicContact OD1-CZ 3.75Å; D565-R679 IonicContact OD1-NE 2.73Å; D565-R679 IonicContact OD1-NH2 3.79Å; D565-R679 PolarHBondContact OD1-NH2 3.44Å; D565-R679 IonicContact OD2-CZ 3.32Å; D565-R679 IonicContact OD2-NE 3.32Å; D565-R679 PolarHBondContact OD2-NE 2.85Å; D565-R679 IonicContact OD2-NH2 2.87Å; D565-R679 PolarHBondContact OD2-NH2 3.15Å; K567-R679 VanDerWaalsContact CD-CZ 3.48Å; K567-R679 PolarHBondContact NZ-O 3.23Å; G677-R679 PolarHBondContact O-N 3.34Å; R679-L681 PolarHBondContact O-N 3.1Å; R679-L681 VanDerWaalsContact O-N 3.16Å; R679-Q1021 HydrophobicContact CG-CG 4.15Å
680F94.6Very high95.9Very high13 Ų1322.8 Ų22.86%0.05711%0.113CC..BIsolated β-bridgetrans-8785.2-178.2-56.3-62.1000109.3I675 P676 G677 G678 E682 Y684 Y1018 Q1021 F1024I675-F680 WeakPolarHBondContact CB-O 3.5Å; P676-F680 HydrophobicContact CB-CB 4.06Å; P676-F680 HydrophobicContact CB-CD2 4.42Å; P676-F680 HydrophobicContact CG-CB 4Å; G677-F680 WeakPolarHBondContact O-CB 3.39Å; G677-F680 WeakPolarHBondContact O-CD2 3.38Å; G677-F680 PolarHBondContact O-N 3.08Å; G677-F680 VanDerWaalsContact O-N 3.14Å; G678-F680 PolarHBondContact O-N 3.32Å; F680-E682 VanDerWaalsContact C-N 3.33Å; F680-Y684 HydrophobicContact CB-CD2 4.16Å; F680-Y684 HydrophobicContact CB-CE2 3.7Å; F680-Y684 HydrophobicContact CD1-CD2 4.41Å; F680-Y684 HydrophobicContact CD1-CE1 4.43Å; F680-Y684 AromaticContact CD1-CE2 3.48Å; F680-Y684 HydrophobicContact CD1-CE2 3.48Å; F680-Y684 VanDerWaalsContact CD1-CE2 3.48Å; F680-Y684 AromaticContact CD1-CZ 3.48Å; F680-Y684 VanDerWaalsContact CD1-CZ 3.48Å; F680-Y684 VanDerWaalsContact CD1-OH 3.27Å; F680-Y684 WeakPolarHBondContact CD1-OH 3.48Å; F680-Y684 HydrophobicContact CE1-CE2 4.42Å; F680-Y684 AromaticContact CG-CE2 3.93Å; F680-Y684 HydrophobicContact CG-CE2 3.93Å; F680-Y1018 HydrophobicContact CZ-CE1 4.29Å; F680-Y1018 HydrophobicContact CZ-CE2 4.12Å; F680-Y1018 AromaticContact CZ-CZ 3.75Å; F680-Q1021 HydrophobicContact CD2-CB 4.44Å; F680-Q1021 HydrophobicContact CD2-CG 4.15Å; F680-Q1021 HydrophobicContact CE2-CB 4.18Å; F680-Q1021 HydrophobicContact CE2-CG 3.63Å; F680-Q1021 HydrophobicContact CZ-CG 4.44Å; F680-F1024 AromaticContact CD2-CE2 3.49Å; F680-F1024 HydrophobicContact CD2-CE2 3.49Å; F680-F1024 VanDerWaalsContact CD2-CE2 3.49Å; F680-F1024 AromaticContact CD2-CZ 3.94Å; F680-F1024 HydrophobicContact CD2-CZ 3.94Å; F680-F1024 AromaticContact CE2-CE2 3.64Å; F680-F1024 HydrophobicContact CE2-CE2 3.64Å; F680-F1024 HydrophobicContact CE2-CZ 4.03Å
681L94.6Very high96.1Very high31 Ų3114.9 Ų14.916%0.1628%0.078CC..  trans-87.5-4.2-174.3-59.3179000113.1P608 L612 I675 R679P608-L681 HydrophobicContact CB-CD1 3.86Å; L612-L681 HydrophobicContact CD1-CB 4.17Å; L612-L681 WeakPolarHBondContact CD1-O 3.38Å; I675-L681 WeakPolarHBondContact CG2-O 3.41Å; R679-L681 PolarHBondContact O-N 3.1Å; R679-L681 VanDerWaalsContact O-N 3.16Å
682E94.3Very high96.2Very high0 Ų011 Ų110%06%0.064CC..SBendtrans-114166.8-178.952.6-75.2147.800110.9K567 L666 P676 F680 Y684 R726 F729K567-E682 WeakPolarHBondContact CE-OE1 3.27Å; K567-E682 VanDerWaalsContact NZ-CD 3.33Å; K567-E682 IonicContact NZ-OE1 3.64Å; K567-E682 PolarHBondContact NZ-OE1 3.18Å; K567-E682 IonicContact NZ-OE2 2.73Å; K567-E682 PolarHBondContact NZ-OE2 2.99Å; L666-E682 HydrophobicContact CD1-CB 3.86Å; P676-E682 WeakPolarHBondContact CD-O 3.36Å; F680-E682 VanDerWaalsContact C-N 3.33Å; E682-Y684 HydrophobicContact CG-CD2 4.27Å; E682-Y684 HydrophobicContact CG-CE2 3.79Å; E682-Y684 WeakPolarHBondContact OE1-CE2 3.36Å; E682-Y684 PolarHBondContact OE1-OH 3.44Å; E682-R726 HydrophobicContact CB-CG 4.32Å; E682-R726 HydrophobicContact CG-CG 3.85Å; E682-R726 IonicContact OE2-CZ 2.85Å; E682-R726 IonicContact OE2-NE 2.69Å; E682-R726 PolarHBondContact OE2-NE 3.48Å; E682-R726 IonicContact OE2-NH2 3.52Å; E682-R726 PolarHBondContact OE2-NH2 3.19Å; E682-F729 HydrophobicContact CG-CE2 4.5Å
683Y92.9Very high96.3Very high5 Ų510.3 Ų10.32%0.026%0.057CC..  trans-66.9142.1166.862.9-88.9000109.3V669 F673 L711 M714 G724 G725V669-Y683 HydrophobicContact CG1-CD1 4.32Å; V669-Y683 HydrophobicContact CG1-CE1 3.68Å; F673-Y683 HydrophobicContact CD2-CD1 4.37Å; F673-Y683 HydrophobicContact CE2-CD1 4.41Å; Y683-L711 HydrophobicContact CD2-CD2 4.1Å; Y683-M714 HydrophobicContact CE1-CE 3.88Å; Y683-M714 HydrophobicContact CE2-CE 4.14Å; Y683-M714 HydrophobicContact CE2-CG 4.15Å; Y683-M714 HydrophobicContact CE2-SD 4.5Å; Y683-M714 WeakPolarHBondContact OH-CE 3.27Å; Y683-M714 PolarHBondContact OH-SD 3.33Å; Y683-G724 CarbonylContact O-C 3.53Å; Y683-G724 WeakPolarHBondContact O-CA 3.45Å; Y683-G725 PolarHBondContact O-N 2.87Å; Y683-G725 WeakPolarHBondContact OH-CA 3.21Å
684Y96.9Very high96.3Very high18 Ų1810.2 Ų10.27%0.0716%0.057CC..BIsolated β-bridgetrans-117.7140.9172.3-86-97.6000109.3P676 F680 E682 D687 A688 N723 F729P676-Y684 HydrophobicContact CG-CD2 3.75Å; P676-Y684 HydrophobicContact CG-CG 4.21Å; F680-Y684 HydrophobicContact CB-CD2 4.16Å; F680-Y684 HydrophobicContact CB-CE2 3.7Å; F680-Y684 HydrophobicContact CD1-CD2 4.41Å; F680-Y684 HydrophobicContact CD1-CE1 4.43Å; F680-Y684 AromaticContact CD1-CE2 3.48Å; F680-Y684 HydrophobicContact CD1-CE2 3.48Å; F680-Y684 VanDerWaalsContact CD1-CE2 3.48Å; F680-Y684 AromaticContact CD1-CZ 3.48Å; F680-Y684 VanDerWaalsContact CD1-CZ 3.48Å; F680-Y684 VanDerWaalsContact CD1-OH 3.27Å; F680-Y684 WeakPolarHBondContact CD1-OH 3.48Å; F680-Y684 HydrophobicContact CE1-CE2 4.42Å; F680-Y684 AromaticContact CG-CE2 3.93Å; F680-Y684 HydrophobicContact CG-CE2 3.93Å; E682-Y684 HydrophobicContact CG-CD2 4.27Å; E682-Y684 HydrophobicContact CG-CE2 3.79Å; E682-Y684 WeakPolarHBondContact OE1-CE2 3.36Å; E682-Y684 PolarHBondContact OE1-OH 3.44Å; Y684-D687 VanDerWaalsContact CB-OD2 3.29Å; Y684-D687 WeakPolarHBondContact CB-OD2 3.42Å; Y684-A688 WeakPolarHBondContact O-CB 3.4Å; Y684-A688 PolarHBondContact O-N 3.42Å; Y684-N723 WeakPolarHBondContact CD1-OD1 3.4Å; Y684-N723 WeakPolarHBondContact CE1-OD1 3.31Å; Y684-F729 HydrophobicContact CE1-CE2 4.31Å; Y684-F729 HydrophobicContact CE1-CZ 4.11Å; Y684-F729 WeakPolarHBondContact OH-CZ 3.4Å
685Y97.6Very high96.3Very high0 Ų010.1 Ų10.10%06%0.056CC..Hα-helixtrans-66.6-62.7-165.1178.2-160000112.5D687 A688 L711 V721 N723 Q734 P736 F737 L738 E765Y685-D687 VanDerWaalsContact C-N 3.34Å; Y685-D687 PolarHBondContact O-N 2.8Å; Y685-A688 VanDerWaalsContact O-CB 3.27Å; Y685-A688 WeakPolarHBondContact O-CB 3.26Å; Y685-A688 PolarHBondContact O-N 3.38Å; Y685-L711 HydrophobicContact CD2-CD1 4.27Å; Y685-L711 HydrophobicContact CD2-CD2 4.32Å; Y685-L711 HydrophobicContact CE2-CD1 4.43Å; Y685-V721 HydrophobicContact CD1-CB 3.61Å; Y685-V721 HydrophobicContact CD1-CG1 3.83Å; Y685-V721 HydrophobicContact CD2-CB 3.88Å; Y685-V721 HydrophobicContact CD2-CG1 3.55Å; Y685-V721 HydrophobicContact CD2-CG2 4.21Å; Y685-V721 HydrophobicContact CE1-CB 3.63Å; Y685-V721 HydrophobicContact CE1-CG1 4.29Å; Y685-V721 HydrophobicContact CE1-CG2 4.16Å; Y685-V721 HydrophobicContact CE2-CB 3.96Å; Y685-V721 HydrophobicContact CE2-CG1 4.1Å; Y685-V721 HydrophobicContact CE2-CG2 3.9Å; Y685-V721 HydrophobicContact CG-CB 3.74Å; Y685-V721 HydrophobicContact CG-CG1 3.43Å; Y685-V721 VanDerWaalsContact CG-CG1 3.43Å; Y685-N723 PolarHBondContact N-O 2.88Å; Y685-Q734 HydrophobicContact CD1-CB 4.01Å; Y685-Q734 HydrophobicContact CG-CB 4.42Å; Y685-Q734 VanDerWaalsContact N-OE1 3.12Å; Y685-P736 HydrophobicContact CE1-CB 4.28Å; Y685-P736 WeakPolarHBondContact OH-CA 3.48Å; Y685-F737 PolarHBondContact OH-N 3.45Å; Y685-L738 HydrophobicContact CE2-CB 3.89Å; Y685-L738 VanDerWaalsContact OH-CB 3.23Å; Y685-L738 WeakPolarHBondContact OH-CB 3.47Å; Y685-L738 PolarHBondContact OH-N 3.03Å; Y685-L738 VanDerWaalsContact OH-N 3.08Å; Y685-E765 WeakPolarHBondContact CE1-OE1 3.38Å; Y685-E765 PolarHBondContact OH-OE1 3.01Å; Y685-E765 PolarHBondContact OH-OE2 2.8Å
686W96Very high96.4Very high38 Ų3811 Ų1114%0.1446%0.061CC..Hα-helixtrans-71.5-30.3-176.275.2-28.5000112.3A688 Y689 W690 Q734 P735 F737 W949 W1026W686-A688 PolarHBondContact O-N 2.96Å; W686-Y689 VanDerWaalsContact O-CB 3.32Å; W686-Y689 WeakPolarHBondContact O-CB 3.38Å; W686-Y689 PolarHBondContact O-N 3.24Å; W686-W690 HydrophobicContact CB-CZ3 4.22Å; W686-W690 HydrophobicContact CD2-CZ3 4.22Å; W686-W690 HydrophobicContact CE3-CH2 4.21Å; W686-W690 HydrophobicContact CE3-CZ3 4.14Å; W686-W690 HydrophobicContact CG-CZ3 4.28Å; W686-W690 WeakPolarHBondContact O-CZ3 3.37Å; W686-Q734 HydrophobicContact CB-CB 4.46Å; W686-Q734 VanDerWaalsContact NE1-NE2 3.16Å; W686-P735 HydrophobicContact CB-CB 4.31Å; W686-P735 HydrophobicContact CD2-CG 4.04Å; W686-P735 HydrophobicContact CE3-CB 3.92Å; W686-P735 HydrophobicContact CE3-CG 3.46Å; W686-P735 VanDerWaalsContact CE3-CG 3.46Å; W686-P735 HydrophobicContact CZ3-CG 3.89Å; W686-F737 HydrophobicContact CB-CD2 4.19Å; W686-W949 AromaticContact CH2-CH2 3.32Å; W686-W949 HydrophobicContact CH2-CH2 3.32Å; W686-W949 AromaticContact CH2-CZ2 3.74Å; W686-W949 HydrophobicContact CH2-CZ2 3.74Å; W686-W949 HydrophobicContact CH2-CZ3 4.11Å; W686-W949 AromaticContact CZ2-CH2 3.59Å; W686-W949 HydrophobicContact CZ2-CH2 3.59Å; W686-W949 AromaticContact CZ2-CZ2 3.65Å; W686-W949 HydrophobicContact CZ2-CZ2 3.65Å; W686-W949 HydrophobicContact CZ3-CH2 4.48Å; W686-W1026 AromaticContact CE2-CZ3 3.8Å; W686-W1026 HydrophobicContact CZ2-CH2 4.46Å; W686-W1026 AromaticContact CZ2-CZ3 3.79Å; W686-W1026 HydrophobicContact CZ2-CZ3 3.79Å; W686-W1026 AromaticContact NE1-CZ3 3.66Å
687D97.4Very high96.3Very high5 Ų511.3 Ų11.33%0.0276%0.063CC..Hα-helixtrans-55.3-38.7173.5-65.1-114.6000111.2P676 Y684 Y685 Y689 W690 I691 F1024 W1026P676-D687 HydrophobicContact CG-CB 4.16Å; Y684-D687 VanDerWaalsContact CB-OD2 3.29Å; Y684-D687 WeakPolarHBondContact CB-OD2 3.42Å; Y685-D687 VanDerWaalsContact C-N 3.34Å; Y685-D687 PolarHBondContact O-N 2.8Å; D687-Y689 PolarHBondContact O-N 3.35Å; D687-Y689 VanDerWaalsContact O-N 3.14Å; D687-W690 PolarHBondContact O-N 3.07Å; D687-I691 WeakPolarHBondContact O-CG1 3.49Å; D687-I691 PolarHBondContact O-N 3.17Å; D687-I691 VanDerWaalsContact O-N 3.1Å; D687-F1024 VanDerWaalsContact OD1-CE1 3.29Å; D687-F1024 WeakPolarHBondContact OD1-CE1 3.49Å; D687-W1026 HydrophobicContact CB-CE3 4.48Å; D687-W1026 VanDerWaalsContact OD1-CE3 3.31Å; D687-W1026 WeakPolarHBondContact OD1-CZ3 3.48Å
688A97.8Very high96.4Very high3 Ų311.4 Ų11.43%0.0256%0.064CC..Hα-helixtrans-56.6-30.3178.700000112.4Y684 Y685 W686 I691 I692 M707 L711Y684-A688 WeakPolarHBondContact O-CB 3.4Å; Y684-A688 PolarHBondContact O-N 3.42Å; Y685-A688 VanDerWaalsContact O-CB 3.27Å; Y685-A688 WeakPolarHBondContact O-CB 3.26Å; Y685-A688 PolarHBondContact O-N 3.38Å; W686-A688 PolarHBondContact O-N 2.96Å; A688-I691 PolarHBondContact O-N 3.2Å; A688-I692 VanDerWaalsContact O-CB 3.3Å; A688-I692 WeakPolarHBondContact O-CB 3.41Å; A688-I692 WeakPolarHBondContact O-CD1 3.44Å; A688-I692 WeakPolarHBondContact O-CG1 3.41Å; A688-I692 PolarHBondContact O-N 3.19Å; A688-M707 HydrophobicContact CB-CE 4.01Å; A688-L711 HydrophobicContact CB-CD1 3.95Å
689Y98.3Very high96.6Very high2 Ų210.8 Ų10.81%0.0086%0.058CC..Hα-helixtrans-62.4-51.3178.8179.5-121.5000112.3W686 D687 I691 I692 K693 F737 A740 D744 Y907W686-Y689 VanDerWaalsContact O-CB 3.32Å; W686-Y689 WeakPolarHBondContact O-CB 3.38Å; W686-Y689 PolarHBondContact O-N 3.24Å; D687-Y689 PolarHBondContact O-N 3.35Å; D687-Y689 VanDerWaalsContact O-N 3.14Å; Y689-I691 VanDerWaalsContact C-N 3.34Å; Y689-I692 PolarHBondContact O-N 3.16Å; Y689-K693 HydrophobicContact CE2-CG 4.44Å; Y689-K693 VanDerWaalsContact CZ-CE 3.4Å; Y689-K693 PolarHBondContact O-N 3.06Å; Y689-K693 WeakPolarHBondContact OH-CE 3.34Å; Y689-K693 PolarHBondContact OH-NZ 2.75Å; Y689-F737 AromaticContact CD1-CD1 3.48Å; Y689-F737 HydrophobicContact CD1-CD1 3.48Å; Y689-F737 VanDerWaalsContact CD1-CD1 3.48Å; Y689-F737 AromaticContact CD1-CE1 3.83Å; Y689-F737 HydrophobicContact CD1-CE1 3.83Å; Y689-F737 HydrophobicContact CD1-CG 4.11Å; Y689-F737 HydrophobicContact CD2-CB 4.33Å; Y689-F737 HydrophobicContact CD2-CD1 4.2Å; Y689-F737 AromaticContact CE1-CD1 3.78Å; Y689-F737 HydrophobicContact CE1-CD1 3.78Å; Y689-F737 AromaticContact CE1-CE1 3.88Å; Y689-F737 HydrophobicContact CE1-CE1 3.88Å; Y689-F737 HydrophobicContact CE2-CD1 4.47Å; Y689-F737 HydrophobicContact CG-CB 3.97Å; Y689-F737 AromaticContact CG-CD1 3.72Å; Y689-F737 HydrophobicContact CG-CD1 3.72Å; Y689-F737 HydrophobicContact CG-CG 4.04Å; Y689-A740 HydrophobicContact CD2-CB 4.08Å; Y689-A740 HydrophobicContact CE2-CB 3.6Å; Y689-D744 WeakPolarHBondContact CE2-OD2 3.13Å; Y689-D744 PolarHBondContact OH-OD2 3.04Å; Y689-Y907 WeakPolarHBondContact CE1-OH 3.47Å; Y689-Y907 PolarHBondContact OH-OH 3.03Å
690W98.4Very high96.9Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-70.8-32.7178.7-69.1-81.5000111.9W686 D687 K693 G694 F737 P957 H960 M961 W1026 G1029W686-W690 HydrophobicContact CB-CZ3 4.22Å; W686-W690 HydrophobicContact CD2-CZ3 4.22Å; W686-W690 HydrophobicContact CE3-CH2 4.21Å; W686-W690 HydrophobicContact CE3-CZ3 4.14Å; W686-W690 HydrophobicContact CG-CZ3 4.28Å; W686-W690 WeakPolarHBondContact O-CZ3 3.37Å; D687-W690 PolarHBondContact O-N 3.07Å; W690-K693 WeakPolarHBondContact O-CB 3.33Å; W690-K693 PolarHBondContact O-N 3.1Å; W690-G694 PolarHBondContact O-N 2.57Å; W690-F737 HydrophobicContact CH2-CE2 4.03Å; W690-F737 HydrophobicContact CH2-CZ 4.09Å; W690-F737 HydrophobicContact CZ2-CZ 4.43Å; W690-P957 HydrophobicContact CD2-CB 4.18Å; W690-P957 HydrophobicContact CD2-CG 3.95Å; W690-P957 VanDerWaalsContact CE2-CA 3.49Å; W690-P957 HydrophobicContact CE3-CB 4.19Å; W690-P957 HydrophobicContact CE3-CG 3.76Å; W690-P957 HydrophobicContact CH2-CB 3.46Å; W690-P957 VanDerWaalsContact CH2-CB 3.46Å; W690-P957 HydrophobicContact CH2-CG 3.92Å; W690-P957 VanDerWaalsContact CZ2-CA 3.5Å; W690-P957 HydrophobicContact CZ2-CB 3.41Å; W690-P957 VanDerWaalsContact CZ2-CB 3.41Å; W690-P957 HydrophobicContact CZ2-CG 4.07Å; W690-P957 HydrophobicContact CZ3-CB 3.84Å; W690-P957 HydrophobicContact CZ3-CG 3.73Å; W690-H960 AromaticContact CD1-CG 3.8Å; W690-H960 AromaticContact CD1-ND1 3.79Å; W690-H960 AromaticContact NE1-CG 3.56Å; W690-H960 AromaticContact NE1-ND1 3.32Å; W690-H960 PolarHBondContact NE1-ND1 2.99Å; W690-M961 HydrophobicContact CZ2-CE 4.23Å; W690-M961 HydrophobicContact CZ2-CG 4.25Å; W690-M961 HydrophobicContact CZ2-SD 4.34Å; W690-W1026 HydrophobicContact CB-CB 3.61Å; W690-W1026 HydrophobicContact CD2-CB 4.43Å; W690-W1026 HydrophobicContact CE3-CB 4.37Å; W690-W1026 HydrophobicContact CG-CB 4.12Å; W690-G1029 VanDerWaalsContact O-CA 3.22Å; W690-G1029 WeakPolarHBondContact O-CA 3.44Å
691I98.5Very high97Very high2 Ų213.6 Ų13.61%0.017%0.068CC..Hα-helixtrans-59.4-49.6170.6-67.3168000110.1W646 I674 D687 A688 Y689 K693 G694 L695 M707 G1025W646-I691 HydrophobicContact CH2-CG2 4.19Å; W646-I691 HydrophobicContact CZ3-CG1 4.45Å; W646-I691 HydrophobicContact CZ3-CG2 4.01Å; I674-I691 HydrophobicContact CB-CG2 3.74Å; I674-I691 HydrophobicContact CG1-CG2 4.15Å; I674-I691 HydrophobicContact CG2-CD1 4.2Å; I674-I691 HydrophobicContact CG2-CG2 3.77Å; D687-I691 WeakPolarHBondContact O-CG1 3.49Å; D687-I691 PolarHBondContact O-N 3.17Å; D687-I691 VanDerWaalsContact O-N 3.1Å; A688-I691 PolarHBondContact O-N 3.2Å; Y689-I691 VanDerWaalsContact C-N 3.34Å; I691-K693 VanDerWaalsContact C-N 3.34Å; I691-K693 PolarHBondContact O-N 3.13Å; I691-G694 CarbonylContact O-C 3.38Å; I691-G694 WeakPolarHBondContact O-CA 3.41Å; I691-G694 PolarHBondContact O-N 3.02Å; I691-L695 HydrophobicContact CG2-CD1 3.96Å; I691-L695 HydrophobicContact CG2-CG 4.22Å; I691-L695 WeakPolarHBondContact O-CG 3.49Å; I691-L695 PolarHBondContact O-N 2.67Å; I691-M707 HydrophobicContact CB-CE 4.23Å; I691-M707 HydrophobicContact CD1-CE 4.38Å; I691-M707 HydrophobicContact CG2-CE 3.75Å; I691-M707 HydrophobicContact CG2-SD 3.67Å; I691-G1025 VanDerWaalsContact CG1-C 3.49Å
692I98.5Very high97.2Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-59.6-43.1178-73.5162.5000110.8A688 Y689 G694 L695 L696 A704 M707 I708 C741A688-I692 VanDerWaalsContact O-CB 3.3Å; A688-I692 WeakPolarHBondContact O-CB 3.41Å; A688-I692 WeakPolarHBondContact O-CD1 3.44Å; A688-I692 WeakPolarHBondContact O-CG1 3.41Å; A688-I692 PolarHBondContact O-N 3.19Å; Y689-I692 PolarHBondContact O-N 3.16Å; I692-G694 VanDerWaalsContact C-N 3.29Å; I692-G694 PolarHBondContact O-N 3.12Å; I692-L695 PolarHBondContact O-N 3.23Å; I692-L696 HydrophobicContact CG2-CD1 3.89Å; I692-L696 HydrophobicContact CG2-CG 4.16Å; I692-L696 WeakPolarHBondContact O-CB 3.28Å; I692-L696 VanDerWaalsContact O-CG 3.25Å; I692-L696 WeakPolarHBondContact O-CG 3.5Å; I692-L696 PolarHBondContact O-N 3.1Å; I692-A704 HydrophobicContact CG2-CB 4.26Å; I692-M707 HydrophobicContact CD1-CB 4.28Å; I692-M707 HydrophobicContact CG1-CB 4.3Å; I692-I708 HydrophobicContact CD1-CD1 4.44Å; I692-I708 HydrophobicContact CD1-CG1 3.69Å; I692-C741 HydrophobicContact CD1-CB 3.87Å
693K97.8Very high97.3Very high21 Ų2116.5 Ų16.59%0.0918%0.084CC..Hα-helixtrans-51.7-48.4171.1-76.6-100.8-179.1-147.50111.8Y689 W690 I691 L696 A697 D744 D1033Y689-K693 HydrophobicContact CE2-CG 4.44Å; Y689-K693 VanDerWaalsContact CZ-CE 3.4Å; Y689-K693 PolarHBondContact O-N 3.06Å; Y689-K693 WeakPolarHBondContact OH-CE 3.34Å; Y689-K693 PolarHBondContact OH-NZ 2.75Å; W690-K693 WeakPolarHBondContact O-CB 3.33Å; W690-K693 PolarHBondContact O-N 3.1Å; I691-K693 VanDerWaalsContact C-N 3.34Å; I691-K693 PolarHBondContact O-N 3.13Å; K693-L696 PolarHBondContact O-N 3.21Å; K693-A697 WeakPolarHBondContact O-CB 3.31Å; K693-A697 PolarHBondContact O-N 2.95Å; K693-D744 WeakPolarHBondContact CE-OD2 3.33Å; K693-D744 IonicContact NZ-OD1 3.6Å; K693-D744 IonicContact NZ-OD2 3.68Å; K693-D744 PolarHBondContact NZ-OD2 3.13Å; K693-D1033 HydrophobicContact CB-CB 4.37Å
694G97.9Very high97.6Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-64-40.717800000114.2W690 I691 I692 A697 S698W690-G694 PolarHBondContact O-N 2.57Å; I691-G694 CarbonylContact O-C 3.38Å; I691-G694 WeakPolarHBondContact O-CA 3.41Å; I691-G694 PolarHBondContact O-N 3.02Å; I692-G694 VanDerWaalsContact C-N 3.29Å; I692-G694 PolarHBondContact O-N 3.12Å; G694-A697 PolarHBondContact O-N 3.1Å; G694-S698 WeakPolarHBondContact O-CB 3.44Å; G694-S698 PolarHBondContact O-N 3.37Å; G694-S698 PolarHBondContact O-OG 3.33Å
695L98.4Very high97.7Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-64.1-46.7176-67.8174.2000110.7W646 I674 I691 I692 A697 S698 G699 M700 T703 A704 M707W646-L695 HydrophobicContact CD2-CD2 4.12Å; W646-L695 HydrophobicContact CG-CD2 4.18Å; I674-L695 HydrophobicContact CG1-CD1 4.32Å; I674-L695 HydrophobicContact CG1-CD2 4.47Å; I691-L695 HydrophobicContact CG2-CD1 3.96Å; I691-L695 HydrophobicContact CG2-CG 4.22Å; I691-L695 WeakPolarHBondContact O-CG 3.49Å; I691-L695 PolarHBondContact O-N 2.67Å; I692-L695 PolarHBondContact O-N 3.23Å; L695-A697 PolarHBondContact O-N 2.92Å; L695-S698 CarbonylContact O-C 3.6Å; L695-S698 WeakPolarHBondContact O-CA 3.28Å; L695-S698 WeakPolarHBondContact O-CB 3.36Å; L695-S698 PolarHBondContact O-N 3.06Å; L695-G699 PolarHBondContact O-N 3.46Å; L695-G699 VanDerWaalsContact O-N 3.15Å; L695-M700 HydrophobicContact CB-CB 4.18Å; L695-M700 HydrophobicContact CD2-CB 4.17Å; L695-M700 HydrophobicContact CD2-CE 3.87Å; L695-M700 HydrophobicContact CD2-SD 3.71Å; L695-M700 WeakPolarHBondContact O-CB 3.33Å; L695-M700 PolarHBondContact O-N 3.09Å; L695-T703 HydrophobicContact CD1-CG2 3.86Å; L695-T703 HydrophobicContact CD2-CG2 4.1Å; L695-A704 HydrophobicContact CB-CB 4.26Å; L695-A704 HydrophobicContact CD1-CB 4.5Å; L695-M707 HydrophobicContact CD1-SD 3.57Å; L695-M707 VanDerWaalsContact CD1-SD 3.57Å
696L98Very high97.7Very high23 Ų2320 Ų2012%0.1210%0.102CC..Hα-helixtrans-62-43.4176-65.7176.6000111.5I692 K693 S698 G699 Y701 A704 D744 Y745 A748I692-L696 HydrophobicContact CG2-CD1 3.89Å; I692-L696 HydrophobicContact CG2-CG 4.16Å; I692-L696 WeakPolarHBondContact O-CB 3.28Å; I692-L696 VanDerWaalsContact O-CG 3.25Å; I692-L696 WeakPolarHBondContact O-CG 3.5Å; I692-L696 PolarHBondContact O-N 3.1Å; K693-L696 PolarHBondContact O-N 3.21Å; L696-S698 PolarHBondContact O-N 3.36Å; L696-G699 PolarHBondContact O-N 2.9Å; L696-Y701 HydrophobicContact CD2-CD1 3.74Å; L696-Y701 HydrophobicContact CD2-CE1 4.24Å; L696-A704 HydrophobicContact CD2-CB 3.86Å; L696-A704 HydrophobicContact CG-CB 4.3Å; L696-D744 HydrophobicContact CD1-CB 3.98Å; L696-Y745 HydrophobicContact CD2-CD2 4.29Å; L696-A748 HydrophobicContact CD2-CB 4.08Å
697A96.1Very high97.8Very high5 Ų518.4 Ų18.44%0.04110%0.096CC..Hα-helixtrans-61.3-27.317400000112.6S626 K693 G694 L695 L1036S626-A697 VanDerWaalsContact CB-O 3.3Å; S626-A697 WeakPolarHBondContact CB-O 3.41Å; S626-A697 PolarHBondContact OG-O 3.29Å; K693-A697 WeakPolarHBondContact O-CB 3.31Å; K693-A697 PolarHBondContact O-N 2.95Å; G694-A697 PolarHBondContact O-N 3.1Å; L695-A697 PolarHBondContact O-N 2.92Å; A697-L1036 HydrophobicContact CB-CD2 4.01Å
698S96.5Very high97.8Very high4 Ų418.1 Ų18.13%0.02810%0.095CC..THydrogen-bonded Turntrans-88.10.7176-55.40000113.9H643 G694 L695 L696 M700H643-S698 VanDerWaalsContact CE1-CB 3.46Å; H643-S698 WeakPolarHBondContact CE1-CB 3.12Å; H643-S698 VanDerWaalsContact ND1-CB 3.3Å; H643-S698 WeakPolarHBondContact ND1-CB 3.15Å; H643-S698 PolarHBondContact ND1-OG 2.99Å; G694-S698 WeakPolarHBondContact O-CB 3.44Å; G694-S698 PolarHBondContact O-N 3.37Å; G694-S698 PolarHBondContact O-OG 3.33Å; L695-S698 CarbonylContact O-C 3.6Å; L695-S698 WeakPolarHBondContact O-CA 3.28Å; L695-S698 WeakPolarHBondContact O-CB 3.36Å; L695-S698 PolarHBondContact O-N 3.06Å; L696-S698 PolarHBondContact O-N 3.36Å; S698-M700 VanDerWaalsContact C-N 3.29Å; S698-M700 PolarHBondContact O-N 3.14Å
699G96Very high97.9Very high29 Ų2919 Ų1930%0.29910%0.098SC..THydrogen-bonded Turntrans72.716.3-175.400000114.9L695 L696 Y701L695-G699 PolarHBondContact O-N 3.46Å; L695-G699 VanDerWaalsContact O-N 3.15Å; L696-G699 PolarHBondContact O-N 2.9Å; G699-Y701 PolarHBondContact O-N 2.86Å
700M97.8Very high97.9Very high0 Ų019 Ų190%010%0.099CC..  trans-91.565.8-177.1-61.3176.268.800111.6P617 D619 W620 H643 W646 L695 S698 T703 A704P617-M700 HydrophobicContact CB-CE 3.38Å; P617-M700 HydrophobicContact CG-CE 3.75Å; D619-M700 WeakPolarHBondContact OD2-CA 3.5Å; W620-M700 HydrophobicContact CB-CE 3.89Å; W620-M700 HydrophobicContact CG-CE 4.36Å; H643-M700 PolarHBondContact CE1-SD 3.45Å; W646-M700 HydrophobicContact CG-SD 4.44Å; L695-M700 HydrophobicContact CB-CB 4.18Å; L695-M700 HydrophobicContact CD2-CB 4.17Å; L695-M700 HydrophobicContact CD2-CE 3.87Å; L695-M700 HydrophobicContact CD2-SD 3.71Å; L695-M700 WeakPolarHBondContact O-CB 3.33Å; L695-M700 PolarHBondContact O-N 3.09Å; S698-M700 VanDerWaalsContact C-N 3.29Å; S698-M700 PolarHBondContact O-N 3.14Å; M700-T703 HydrophobicContact CE-CG2 4.37Å; M700-A704 WeakPolarHBondContact O-CB 3.38Å; M700-A704 PolarHBondContact O-N 3.15Å; M700-A704 VanDerWaalsContact O-N 3.11Å
701Y97.7Very high97.9Very high99 Ų9919.1 Ų19.139%0.38810%0.1SC..Hα-helixtrans-68-38.2-174.5-51.9-57.2000113.7D619 L696 G699 A704 K705 Y745 A748 T749D619-Y701 PolarHBondContact OD2-N 2.56Å; L696-Y701 HydrophobicContact CD2-CD1 3.74Å; L696-Y701 HydrophobicContact CD2-CE1 4.24Å; G699-Y701 PolarHBondContact O-N 2.86Å; Y701-A704 PolarHBondContact O-N 3.18Å; Y701-K705 WeakPolarHBondContact O-CB 3.43Å; Y701-K705 PolarHBondContact O-N 3.17Å; Y701-Y745 WeakPolarHBondContact O-CE2 3.22Å; Y701-A748 HydrophobicContact CD1-CB 4.42Å; Y701-A748 HydrophobicContact CE1-CB 3.99Å; Y701-T749 HydrophobicContact CD1-CG2 3.77Å; Y701-T749 HydrophobicContact CE1-CG2 4.5Å; Y701-T749 HydrophobicContact CG-CG2 3.9Å
702N97.9Very high97.8Very high89 Ų8919.1 Ų19.148%0.47610%0.1SC..Hα-helixtrans-67.2-44.1179.7-66.5-21.7000110.4D619 A704 K705 D706D619-N702 HydrophobicContact CB-CB 4.4Å; D619-N702 WeakPolarHBondContact OD2-CA 3.34Å; D619-N702 WeakPolarHBondContact OD2-CB 3.46Å; D619-N702 PolarHBondContact OD2-N 3.2Å; N702-A704 VanDerWaalsContact C-N 3.34Å; N702-A704 PolarHBondContact O-N 3.38Å; N702-K705 WeakPolarHBondContact O-CB 3.4Å; N702-K705 PolarHBondContact O-N 3.2Å; N702-D706 PolarHBondContact O-N 2.84Å
703T97.9Very high97.7Very high3 Ų320 Ų202%0.01811%0.106CC..Hα-helixtrans-64.4-39.9177.6-58.80000111.5P617 D619 I674 L695 M700 D706 M707P617-T703 HydrophobicContact CB-CG2 4.04Å; P617-T703 VanDerWaalsContact CB-OG1 3.26Å; P617-T703 WeakPolarHBondContact CB-OG1 3.5Å; D619-T703 WeakPolarHBondContact OD1-CB 3.46Å; D619-T703 PolarHBondContact OD1-OG1 3.33Å; D619-T703 PolarHBondContact OD2-N 3.41Å; D619-T703 VanDerWaalsContact OD2-N 3.13Å; I674-T703 HydrophobicContact CG1-CG2 4.43Å; L695-T703 HydrophobicContact CD1-CG2 3.86Å; L695-T703 HydrophobicContact CD2-CG2 4.1Å; M700-T703 HydrophobicContact CE-CG2 4.37Å; T703-D706 PolarHBondContact O-N 3.15Å; T703-M707 PolarHBondContact O-N 3.4Å; T703-M707 VanDerWaalsContact O-N 3.1Å
704A98.4Very high97.6Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-61.2-44.6173.300000111.8I692 L695 L696 M700 Y701 N702 D706 M707 I708 Y745I692-A704 HydrophobicContact CG2-CB 4.26Å; L695-A704 HydrophobicContact CB-CB 4.26Å; L695-A704 HydrophobicContact CD1-CB 4.5Å; L696-A704 HydrophobicContact CD2-CB 3.86Å; L696-A704 HydrophobicContact CG-CB 4.3Å; M700-A704 WeakPolarHBondContact O-CB 3.38Å; M700-A704 PolarHBondContact O-N 3.15Å; M700-A704 VanDerWaalsContact O-N 3.11Å; Y701-A704 PolarHBondContact O-N 3.18Å; N702-A704 VanDerWaalsContact C-N 3.34Å; N702-A704 PolarHBondContact O-N 3.38Å; A704-D706 VanDerWaalsContact C-N 3.34Å; A704-D706 PolarHBondContact O-N 2.91Å; A704-M707 PolarHBondContact O-N 2.82Å; A704-I708 WeakPolarHBondContact O-CG1 3.5Å; A704-I708 PolarHBondContact O-N 3.38Å; A704-Y745 HydrophobicContact CB-CD2 4.37Å
705K98.3Very high97.5Very high55 Ų5519 Ų1924%0.23910%0.101CC..Hα-helixtrans-59.5-43.8176.2-168.3179.3-168.9152.20111.9Y701 N702 I708 L709 Y745 D751 F754Y701-K705 WeakPolarHBondContact O-CB 3.43Å; Y701-K705 PolarHBondContact O-N 3.17Å; N702-K705 WeakPolarHBondContact O-CB 3.4Å; N702-K705 PolarHBondContact O-N 3.2Å; K705-I708 PolarHBondContact O-N 3.39Å; K705-L709 HydrophobicContact CG-CD1 4.12Å; K705-L709 WeakPolarHBondContact O-CB 3.43Å; K705-L709 WeakPolarHBondContact O-CG 3.47Å; K705-L709 PolarHBondContact O-N 3.07Å; K705-Y745 HydrophobicContact CB-CD2 4.49Å; K705-Y745 HydrophobicContact CB-CE2 3.74Å; K705-Y745 WeakPolarHBondContact CD-OH 3.27Å; K705-Y745 HydrophobicContact CG-CE2 4.28Å; K705-D751 IonicContact NZ-OD2 2.73Å; K705-D751 PolarHBondContact NZ-OD2 3.2Å; K705-F754 HydrophobicContact CD-CD2 4.38Å; K705-F754 HydrophobicContact CD-CE2 4.4Å; K705-F754 HydrophobicContact CG-CD2 4.18Å; K705-F754 HydrophobicContact CG-CE2 3.74Å; K705-F754 HydrophobicContact CG-CZ 3.94Å
706D98.1Very high97.2Very high41 Ų4123.9 Ų23.922%0.21912%0.124CC..Hα-helixtrans-63.2-42.2179.5-80.5-14.4000112.4R671 N702 T703 A704 L709 N710R671-D706 HydrophobicContact CB-CB 4Å; R671-D706 WeakPolarHBondContact CD-OD1 3.36Å; R671-D706 IonicContact NE-OD1 2.81Å; N702-D706 PolarHBondContact O-N 2.84Å; T703-D706 PolarHBondContact O-N 3.15Å; A704-D706 VanDerWaalsContact C-N 3.34Å; A704-D706 PolarHBondContact O-N 2.91Å; D706-L709 PolarHBondContact O-N 3.18Å; D706-N710 PolarHBondContact O-N 3.02Å
707M98Very high96.8Very high5 Ų527.9 Ų27.93%0.02514%0.138CC..Hα-helixtrans-61.8-45.5174-73-169.967.400111.9I674 A688 I691 I692 L695 T703 A704 L709 N710 L711I674-M707 HydrophobicContact CB-CE 4.2Å; I674-M707 HydrophobicContact CB-SD 3.82Å; I674-M707 HydrophobicContact CG1-SD 3.78Å; A688-M707 HydrophobicContact CB-CE 4.01Å; I691-M707 HydrophobicContact CB-CE 4.23Å; I691-M707 HydrophobicContact CD1-CE 4.38Å; I691-M707 HydrophobicContact CG2-CE 3.75Å; I691-M707 HydrophobicContact CG2-SD 3.67Å; I692-M707 HydrophobicContact CD1-CB 4.28Å; I692-M707 HydrophobicContact CG1-CB 4.3Å; L695-M707 HydrophobicContact CD1-SD 3.57Å; L695-M707 VanDerWaalsContact CD1-SD 3.57Å; T703-M707 PolarHBondContact O-N 3.4Å; T703-M707 VanDerWaalsContact O-N 3.1Å; A704-M707 PolarHBondContact O-N 2.82Å; M707-L709 VanDerWaalsContact C-N 3.33Å; M707-L709 PolarHBondContact O-N 3.39Å; M707-N710 WeakPolarHBondContact O-CB 3.37Å; M707-N710 PolarHBondContact O-N 2.84Å; M707-L711 WeakPolarHBondContact O-CG 3.45Å; M707-L711 PolarHBondContact O-N 3.16Å; M707-L711 VanDerWaalsContact O-N 3.14Å
708I98.6Very high96.6Very high0 Ų031.2 Ų31.20%015%0.151CC..Hα-helixtrans-59.9-45.8176.5-66.1167.7000110.3I692 A704 K705 N710 L711 V712 L738 C741 V742 Y745 F754I692-I708 HydrophobicContact CD1-CD1 4.44Å; I692-I708 HydrophobicContact CD1-CG1 3.69Å; A704-I708 WeakPolarHBondContact O-CG1 3.5Å; A704-I708 PolarHBondContact O-N 3.38Å; K705-I708 PolarHBondContact O-N 3.39Å; I708-N710 VanDerWaalsContact C-N 3.26Å; I708-N710 PolarHBondContact O-N 3.09Å; I708-L711 PolarHBondContact O-N 3.03Å; I708-L711 VanDerWaalsContact O-N 3.09Å; I708-V712 HydrophobicContact CG2-CG2 4.13Å; I708-V712 WeakPolarHBondContact O-CB 3.14Å; I708-V712 VanDerWaalsContact O-CG2 3.28Å; I708-V712 WeakPolarHBondContact O-CG2 3.23Å; I708-V712 PolarHBondContact O-N 3.23Å; I708-L738 HydrophobicContact CG2-CD1 4.31Å; I708-C741 HydrophobicContact CD1-CB 4.25Å; I708-C741 HydrophobicContact CG1-CB 4.02Å; I708-V742 HydrophobicContact CG2-CG2 3.74Å; I708-Y745 HydrophobicContact CD1-CD2 4.35Å; I708-Y745 HydrophobicContact CD1-CG 4.03Å; I708-F754 HydrophobicContact CB-CZ 4.1Å; I708-F754 HydrophobicContact CD1-CE1 4.3Å; I708-F754 HydrophobicContact CG2-CE1 4Å; I708-F754 HydrophobicContact CG2-CZ 3.64Å
709L98.4Very high96.3Very high20 Ų2031.8 Ų31.811%0.10516%0.158CC..Hα-helixtrans-62.7-31.6178.8-75.8171.1000113K705 D706 M707 S713 F754 F757K705-L709 HydrophobicContact CG-CD1 4.12Å; K705-L709 WeakPolarHBondContact O-CB 3.43Å; K705-L709 WeakPolarHBondContact O-CG 3.47Å; K705-L709 PolarHBondContact O-N 3.07Å; D706-L709 PolarHBondContact O-N 3.18Å; M707-L709 VanDerWaalsContact C-N 3.33Å; M707-L709 PolarHBondContact O-N 3.39Å; L709-S713 PolarHBondContact O-N 2.79Å; L709-F754 HydrophobicContact CD1-CE2 4.33Å; L709-F754 HydrophobicContact CD2-CE2 3.77Å; L709-F754 HydrophobicContact CD2-CZ 4.47Å; L709-F754 HydrophobicContact CG-CE2 3.87Å; L709-F754 HydrophobicContact CG-CZ 4.34Å; L709-F757 HydrophobicContact CD2-CD1 4.34Å; L709-F757 HydrophobicContact CD2-CE1 3.71Å
710N97.9Very high96.3Very high3 Ų331.2 Ų31.22%0.01615%0.147CC..Hα-helixtrans-66.8-43.6172-77.4-20.4000111.7V669 R671 P672 D706 M707 I708 S713 M714V669-N710 HydrophobicContact CB-CB 4.31Å; V669-N710 HydrophobicContact CG1-CB 4.12Å; R671-N710 WeakPolarHBondContact CB-OD1 3.37Å; R671-N710 PolarHBondContact N-OD1 2.6Å; R671-N710 PolarHBondContact O-ND2 3.33Å; P672-N710 PolarHBondContact O-ND2 3.15Å; D706-N710 PolarHBondContact O-N 3.02Å; M707-N710 WeakPolarHBondContact O-CB 3.37Å; M707-N710 PolarHBondContact O-N 2.84Å; I708-N710 VanDerWaalsContact C-N 3.26Å; I708-N710 PolarHBondContact O-N 3.09Å; N710-S713 PolarHBondContact O-N 3.27Å; N710-S713 PolarHBondContact O-OG 2.93Å; N710-M714 PolarHBondContact O-N 2.92Å
711L98.3Very high96.3Very high3 Ų331.2 Ų31.22%0.01615%0.147CC..Hα-helixtrans-64.7-43.8175.6-59177.5000111.7Y683 Y685 A688 M707 I708 S713 M714 V715 V721 L738Y683-L711 HydrophobicContact CD2-CD2 4.1Å; Y685-L711 HydrophobicContact CD2-CD1 4.27Å; Y685-L711 HydrophobicContact CD2-CD2 4.32Å; Y685-L711 HydrophobicContact CE2-CD1 4.43Å; A688-L711 HydrophobicContact CB-CD1 3.95Å; M707-L711 WeakPolarHBondContact O-CG 3.45Å; M707-L711 PolarHBondContact O-N 3.16Å; M707-L711 VanDerWaalsContact O-N 3.14Å; I708-L711 PolarHBondContact O-N 3.03Å; I708-L711 VanDerWaalsContact O-N 3.09Å; L711-S713 VanDerWaalsContact C-N 3.25Å; L711-S713 PolarHBondContact O-N 2.89Å; L711-M714 WeakPolarHBondContact O-CA 3.34Å; L711-M714 VanDerWaalsContact O-CB 3.26Å; L711-M714 WeakPolarHBondContact O-CB 3.44Å; L711-M714 PolarHBondContact O-N 2.92Å; L711-V715 PolarHBondContact O-N 2.82Å; L711-V721 HydrophobicContact CB-CG2 4.32Å; L711-V721 HydrophobicContact CD2-CG1 3.87Å; L711-L738 HydrophobicContact CB-CD1 3.59Å; L711-L738 HydrophobicContact CB-CD2 4.49Å; L711-L738 HydrophobicContact CD1-CD1 3.8Å; L711-L738 HydrophobicContact CG-CD1 4.35Å
712V97.9Very high96.2Very high2 Ų226.5 Ų26.51%0.01213%0.128CC..Hα-helixtrans-53.4-44.3173.5167.50000110.6I708 M714 V715 E716 L738 V758 I761I708-V712 HydrophobicContact CG2-CG2 4.13Å; I708-V712 WeakPolarHBondContact O-CB 3.14Å; I708-V712 VanDerWaalsContact O-CG2 3.28Å; I708-V712 WeakPolarHBondContact O-CG2 3.23Å; I708-V712 PolarHBondContact O-N 3.23Å; V712-M714 PolarHBondContact O-N 3.41Å; V712-M714 VanDerWaalsContact O-N 3.16Å; V712-V715 PolarHBondContact O-N 3.32Å; V712-V715 VanDerWaalsContact O-N 3.1Å; V712-E716 PolarHBondContact O-N 3.24Å; V712-L738 HydrophobicContact CG2-CD2 4.41Å; V712-V758 HydrophobicContact CG2-CB 4.26Å; V712-V758 HydrophobicContact CG2-CG1 3.99Å; V712-I761 HydrophobicContact CG1-CB 4.18Å; V712-I761 HydrophobicContact CG1-CD1 3.33Å; V712-I761 HydrophobicContact CG1-CG1 4.33Å; V712-I761 HydrophobicContact CG1-CG2 3.88Å
713S95.9Very high96.1Very high18 Ų1823.4 Ų23.413%0.12611%0.112CC..Hα-helixtrans-63.5-21.5177.583.10000114.3L709 N710 L711 R717L709-S713 PolarHBondContact O-N 2.79Å; N710-S713 PolarHBondContact O-N 3.27Å; N710-S713 PolarHBondContact O-OG 2.93Å; L711-S713 VanDerWaalsContact C-N 3.25Å; L711-S713 PolarHBondContact O-N 2.89Å; S713-R717 WeakPolarHBondContact O-CB 3.29Å; S713-R717 VanDerWaalsContact O-CG 3.3Å; S713-R717 WeakPolarHBondContact O-CG 3.46Å; S713-R717 PolarHBondContact O-N 3.24Å; S713-R717 PolarHBondContact O-NE 3.24Å; S713-R717 PolarHBondContact OG-NH2 3.04Å
714M95Very high95.9Very high0 Ų023.3 Ų23.30%011%0.111CC..Hα-helixtrans-74.7-43.4173.7-59.7-54.1147.900111.3I667 V669 Y683 N710 L711 V712 E716 R717 F718 F720 V721I667-M714 HydrophobicContact CG2-CE 4.3Å; I667-M714 HydrophobicContact CG2-SD 4.04Å; V669-M714 HydrophobicContact CG1-CE 3.08Å; Y683-M714 HydrophobicContact CE1-CE 3.88Å; Y683-M714 HydrophobicContact CE2-CE 4.14Å; Y683-M714 HydrophobicContact CE2-CG 4.15Å; Y683-M714 HydrophobicContact CE2-SD 4.5Å; Y683-M714 WeakPolarHBondContact OH-CE 3.27Å; Y683-M714 PolarHBondContact OH-SD 3.33Å; N710-M714 PolarHBondContact O-N 2.92Å; L711-M714 WeakPolarHBondContact O-CA 3.34Å; L711-M714 VanDerWaalsContact O-CB 3.26Å; L711-M714 WeakPolarHBondContact O-CB 3.44Å; L711-M714 PolarHBondContact O-N 2.92Å; V712-M714 PolarHBondContact O-N 3.41Å; V712-M714 VanDerWaalsContact O-N 3.16Å; M714-E716 VanDerWaalsContact C-N 3.27Å; M714-E716 PolarHBondContact O-N 3.48Å; M714-R717 PolarHBondContact O-N 3.22Å; M714-F718 HydrophobicContact CB-CD2 4.42Å; M714-F718 WeakPolarHBondContact O-CD2 3.33Å; M714-F718 PolarHBondContact O-N 2.98Å; M714-F718 HydrophobicContact SD-CD2 4.21Å; M714-F718 HydrophobicContact SD-CE2 3.89Å; M714-F720 CarbonylContact C-O 3.51Å; M714-V721 HydrophobicContact CB-CG1 4.38Å
715V96.5Very high95.7Very high0 Ų023.3 Ų23.30%011%0.111CC..Hα-helixtrans-63.8-37.9176.7-175.40000110.7L711 V712 G719 V721 L738 I761 K764 E765L711-V715 PolarHBondContact O-N 2.82Å; V712-V715 PolarHBondContact O-N 3.32Å; V712-V715 VanDerWaalsContact O-N 3.1Å; V715-G719 WeakPolarHBondContact O-CA 3.49Å; V715-G719 PolarHBondContact O-N 3.29Å; V715-V721 HydrophobicContact CG2-CG2 3.5Å; V715-L738 HydrophobicContact CG2-CD2 3.86Å; V715-I761 HydrophobicContact CB-CG2 3.61Å; V715-I761 HydrophobicContact CG1-CG2 3.68Å; V715-I761 WeakPolarHBondContact CG1-O 3.39Å; V715-K764 HydrophobicContact CG1-CB 4.01Å; V715-K764 HydrophobicContact CG1-CD 4.21Å; V715-K764 HydrophobicContact CG1-CG 4.19Å; V715-K764 PolarHBondContact O-NZ 3.46Å; V715-E765 HydrophobicContact CG1-CB 3.79Å; V715-E765 HydrophobicContact CG2-CB 3.97Å; V715-E765 HydrophobicContact CG2-CG 4.37Å
716E92Very high95.6Very high103 Ų10320.7 Ų20.748%0.48110%0.1SC..Hα-helixtrans-59.1-50173-70-177.7119.500111.6V712 M714 I761 K764V712-E716 PolarHBondContact O-N 3.24Å; M714-E716 VanDerWaalsContact C-N 3.27Å; M714-E716 PolarHBondContact O-N 3.48Å; E716-I761 HydrophobicContact CG-CD1 3.8Å; E716-I761 HydrophobicContact CG-CG1 4.21Å; E716-I761 HydrophobicContact CG-CG2 4.05Å; E716-K764 PolarHBondContact O-NZ 3.44Å
717R90.4Very high95.3Very high107 Ų10720.1 Ų20.140%0.40410%0.097SC..Hα-helixtrans-72.7-42.6-176.3-74.7-178.3-79.6-174.6-15.4114.5P668 S713 M714P668-R717 PolarHBondContact O-NH1 3.23Å; P668-R717 PolarHBondContact O-NH2 3.29Å; S713-R717 WeakPolarHBondContact O-CB 3.29Å; S713-R717 VanDerWaalsContact O-CG 3.3Å; S713-R717 WeakPolarHBondContact O-CG 3.46Å; S713-R717 PolarHBondContact O-N 3.24Å; S713-R717 PolarHBondContact O-NE 3.24Å; S713-R717 PolarHBondContact OG-NH2 3.04Å; M714-R717 PolarHBondContact O-N 3.22Å
718F91Very high95Very high75 Ų7520.4 Ų20.433%0.32910%0.098SC..Hα-helixtrans-119.1-8.4-166.8-52.6-63000113.8I667 M714 F720 P722 L730I667-F718 HydrophobicContact CD1-CE2 4.18Å; I667-F718 HydrophobicContact CD1-CZ 4.3Å; I667-F718 HydrophobicContact CG2-CE2 3.99Å; I667-F718 HydrophobicContact CG2-CZ 4.14Å; M714-F718 HydrophobicContact CB-CD2 4.42Å; M714-F718 WeakPolarHBondContact O-CD2 3.33Å; M714-F718 PolarHBondContact O-N 2.98Å; M714-F718 HydrophobicContact SD-CD2 4.21Å; M714-F718 HydrophobicContact SD-CE2 3.89Å; F718-F720 VanDerWaalsContact C-N 3.27Å; F718-F720 HydrophobicContact CB-CD1 4.44Å; F718-F720 HydrophobicContact CB-CE1 4.29Å; F718-F720 WeakPolarHBondContact O-CD1 3.39Å; F718-F720 PolarHBondContact O-N 3.41Å; F718-P722 HydrophobicContact CD2-CG 4.16Å; F718-L730 HydrophobicContact CD1-CD2 3.75Å; F718-L730 HydrophobicContact CD2-CD2 3.87Å; F718-L730 HydrophobicContact CE1-CD1 4.17Å; F718-L730 HydrophobicContact CE1-CD2 3.77Å; F718-L730 HydrophobicContact CE2-CD2 3.9Å; F718-L730 HydrophobicContact CG-CD2 3.79Å; F718-L730 HydrophobicContact CZ-CD2 3.85Å
719G90.8Very high94.7Very high15 Ų1520.6 Ų20.616%0.15510%0.098CC..SBendtrans84.9-7.6-177.600000114.8V715 F768V715-G719 WeakPolarHBondContact O-CA 3.49Å; V715-G719 PolarHBondContact O-N 3.29Å; G719-F768 WeakPolarHBondContact O-CB 3.44Å
720F95.4Very high94.3Very high17 Ų1722.5 Ų22.58%0.07511%0.108CC..SBendtrans-155.5168.9177.167.6-78.7000109.6M714 F718 P722 L730 F768M714-F720 CarbonylContact C-O 3.51Å; F718-F720 VanDerWaalsContact C-N 3.27Å; F718-F720 HydrophobicContact CB-CD1 4.44Å; F718-F720 HydrophobicContact CB-CE1 4.29Å; F718-F720 WeakPolarHBondContact O-CD1 3.39Å; F718-F720 PolarHBondContact O-N 3.41Å; F720-P722 HydrophobicContact CE2-CB 4.34Å; F720-P722 HydrophobicContact CE2-CG 4.32Å; F720-P722 WeakPolarHBondContact O-CD 3.25Å; F720-L730 WeakPolarHBondContact CZ-O 3.44Å; F720-F768 HydrophobicContact CB-CB 4.24Å; F720-F768 HydrophobicContact CB-CD1 3.44Å; F720-F768 VanDerWaalsContact CB-CD1 3.44Å; F720-F768 HydrophobicContact CB-CD2 3.88Å; F720-F768 HydrophobicContact CB-CE1 3.56Å; F720-F768 HydrophobicContact CB-CE2 3.98Å; F720-F768 HydrophobicContact CB-CG 3.59Å; F720-F768 HydrophobicContact CB-CZ 3.81Å; F720-F768 AromaticContact CD1-CD2 3.86Å; F720-F768 HydrophobicContact CD1-CD2 3.86Å; F720-F768 HydrophobicContact CD1-CE1 4.44Å; F720-F768 AromaticContact CD1-CE2 3.49Å; F720-F768 HydrophobicContact CD1-CE2 3.49Å; F720-F768 VanDerWaalsContact CD1-CE2 3.49Å; F720-F768 HydrophobicContact CD1-CG 4.46Å; F720-F768 AromaticContact CD1-CZ 3.8Å; F720-F768 HydrophobicContact CD1-CZ 3.8Å; F720-F768 HydrophobicContact CD2-CE1 4.09Å; F720-F768 HydrophobicContact CD2-CE2 4.39Å; F720-F768 AromaticContact CD2-CZ 3.84Å; F720-F768 HydrophobicContact CD2-CZ 3.84Å; F720-F768 HydrophobicContact CE1-CE2 4.07Å; F720-F768 HydrophobicContact CE1-CZ 4.35Å; F720-F768 HydrophobicContact CE2-CZ 4.37Å; F720-F768 HydrophobicContact CG-CD1 4.14Å; F720-F768 HydrophobicContact CG-CD2 4.06Å; F720-F768 AromaticContact CG-CE1 3.79Å; F720-F768 HydrophobicContact CG-CE1 3.79Å; F720-F768 AromaticContact CG-CE2 3.7Å; F720-F768 HydrophobicContact CG-CE2 3.7Å; F720-F768 HydrophobicContact CG-CG 4.25Å; F720-F768 AromaticContact CG-CZ 3.53Å; F720-F768 HydrophobicContact CG-CZ 3.53Å
721V97.7Very high93.8Very high0 Ų025 Ų250%012%0.122CC..  trans-87.3117.7169.9-1710000109.7Y685 L711 M714 V715 S733 L738Y685-V721 HydrophobicContact CD1-CB 3.61Å; Y685-V721 HydrophobicContact CD1-CG1 3.83Å; Y685-V721 HydrophobicContact CD2-CB 3.88Å; Y685-V721 HydrophobicContact CD2-CG1 3.55Å; Y685-V721 HydrophobicContact CD2-CG2 4.21Å; Y685-V721 HydrophobicContact CE1-CB 3.63Å; Y685-V721 HydrophobicContact CE1-CG1 4.29Å; Y685-V721 HydrophobicContact CE1-CG2 4.16Å; Y685-V721 HydrophobicContact CE2-CB 3.96Å; Y685-V721 HydrophobicContact CE2-CG1 4.1Å; Y685-V721 HydrophobicContact CE2-CG2 3.9Å; Y685-V721 HydrophobicContact CG-CB 3.74Å; Y685-V721 HydrophobicContact CG-CG1 3.43Å; Y685-V721 VanDerWaalsContact CG-CG1 3.43Å; L711-V721 HydrophobicContact CB-CG2 4.32Å; L711-V721 HydrophobicContact CD2-CG1 3.87Å; M714-V721 HydrophobicContact CB-CG1 4.38Å; V715-V721 HydrophobicContact CG2-CG2 3.5Å; V721-S733 WeakPolarHBondContact O-CB 3.23Å; V721-S733 PolarHBondContact O-OG 3.24Å; V721-L738 HydrophobicContact CG2-CD2 4.11Å
722P96.1Very high93.5Very high0 Ų026.3 Ų26.30%013%0.126CC..  trans-60.4158.6173.4-20.933000111.9F718 F720 G724 F729 L730F718-P722 HydrophobicContact CD2-CG 4.16Å; F720-P722 HydrophobicContact CE2-CB 4.34Å; F720-P722 HydrophobicContact CE2-CG 4.32Å; F720-P722 WeakPolarHBondContact O-CD 3.25Å; P722-G724 PolarHBondContact O-N 2.98Å; P722-F729 HydrophobicContact CB-CB 4.2Å; P722-L730 HydrophobicContact CB-CD2 4.41Å; P722-L730 HydrophobicContact CG-CD2 3.72Å
723N94.7Very high93.3Very high25 Ų2527 Ų2713%0.13413%0.131CC..SBendtrans-48.1-47.4177.3177.6-31.2000112.2Y684 Y685 F729 R732 Q734Y684-N723 WeakPolarHBondContact CD1-OD1 3.4Å; Y684-N723 WeakPolarHBondContact CE1-OD1 3.31Å; Y685-N723 PolarHBondContact N-O 2.88Å; N723-F729 HydrophobicContact CB-CB 4.16Å; N723-F729 HydrophobicContact CB-CD1 3.93Å; N723-F729 HydrophobicContact CB-CG 4.11Å; N723-R732 HydrophobicContact CB-CG 4.11Å; N723-R732 PolarHBondContact N-O 3.32Å; N723-Q734 HydrophobicContact CB-CG 4.13Å; N723-Q734 PolarHBondContact O-OE1 2.97Å; N723-Q734 VanDerWaalsContact O-OE1 3.1Å; N723-Q734 VanDerWaalsContact OD1-CD 3.29Å; N723-Q734 PolarHBondContact OD1-NE2 3.35Å; N723-Q734 VanDerWaalsContact OD1-NE2 3.13Å
724G94.9Very high93.2Very high0 Ų027.2 Ų27.20%013%0.131CC..BIsolated β-bridgetrans-147.5178.8170.400000112.1Y683 P722 R726 F729Y683-G724 CarbonylContact O-C 3.53Å; Y683-G724 WeakPolarHBondContact O-CA 3.45Å; P722-G724 PolarHBondContact O-N 2.98Å; G724-R726 PolarHBondContact O-N 3.13Å; G724-F729 VanDerWaalsContact C-CD2 3.49Å; G724-F729 WeakPolarHBondContact O-CD2 3.3Å
725G94.8Very high93.3Very high0 Ų027.8 Ų27.80%013%0.134CC..SBendtrans-75.743.1-173.300000117.3L666 I667 Y683L666-G725 WeakPolarHBondContact CA-O 3.38Å; L666-G725 WeakPolarHBondContact CD1-O 3.47Å; I667-G725 PolarHBondContact N-O 3.26Å; Y683-G725 PolarHBondContact O-N 2.87Å; Y683-G725 WeakPolarHBondContact OH-CA 3.21Å
726R95.1Very high93.3Very high0 Ų027.8 Ų27.80%013%0.134CC..BIsolated β-bridgetrans-134.2148.8-178.2-61.1-96.3-178.9-164.8-3112D571 E611 S665 E682 G724 Y728 F729D571-R726 IonicContact OD1-CZ 2.72Å; D571-R726 IonicContact OD1-NE 3.44Å; D571-R726 PolarHBondContact OD1-NE 3.46Å; D571-R726 IonicContact OD1-NH2 3.26Å; E611-R726 IonicContact OE1-CZ 2.76Å; E611-R726 VanDerWaalsContact OE1-CZ 3.23Å; E611-R726 IonicContact OE1-NH1 3.71Å; E611-R726 PolarHBondContact OE1-NH1 3.03Å; E611-R726 IonicContact OE1-NH2 3.41Å; E611-R726 PolarHBondContact OE1-NH2 3.34Å; S665-R726 CarbonylContact O-C 3.45Å; S665-R726 WeakPolarHBondContact O-CA 3.44Å; S665-R726 WeakPolarHBondContact OG-CD 3.29Å; S665-R726 PolarHBondContact OG-NH1 3.05Å; E682-R726 HydrophobicContact CB-CG 4.32Å; E682-R726 HydrophobicContact CG-CG 3.85Å; E682-R726 IonicContact OE2-CZ 2.85Å; E682-R726 IonicContact OE2-NE 2.69Å; E682-R726 PolarHBondContact OE2-NE 3.48Å; E682-R726 IonicContact OE2-NH2 3.52Å; E682-R726 PolarHBondContact OE2-NH2 3.19Å; G724-R726 PolarHBondContact O-N 3.13Å; R726-Y728 VanDerWaalsContact C-N 3.26Å; R726-Y728 HydrophobicContact CB-CD1 4.07Å; R726-Y728 HydrophobicContact CB-CD2 4.16Å; R726-Y728 HydrophobicContact CB-CE1 3.58Å; R726-Y728 HydrophobicContact CB-CE2 3.68Å; R726-Y728 HydrophobicContact CB-CG 4.33Å; R726-Y728 VanDerWaalsContact CD-OH 3.3Å; R726-Y728 WeakPolarHBondContact CD-OH 3.44Å; R726-Y728 HydrophobicContact CG-CE1 3.98Å; R726-Y728 HydrophobicContact CG-CE2 4.16Å; R726-Y728 WeakPolarHBondContact CG-OH 3.46Å; R726-Y728 PolarHBondContact O-N 3.43Å; R726-F729 HydrophobicContact CB-CD2 3.69Å; R726-F729 HydrophobicContact CB-CE2 4.08Å; R726-F729 HydrophobicContact CG-CD2 4.26Å; R726-F729 HydrophobicContact CG-CE2 4.22Å; R726-F729 WeakPolarHBondContact O-CB 3.25Å; R726-F729 PolarHBondContact O-N 2.94Å
727I92.3Very high93.6Very high30 Ų3023 Ų2315%0.15411%0.112CC..G310 helixtrans-60.6-31.9-176.959.9175.8000113.2S544 F548 S665 I667 F729 L730S544-I727 WeakPolarHBondContact OG-CD1 3.45Å; F548-I727 HydrophobicContact CB-CD1 4.37Å; F548-I727 HydrophobicContact CD2-CD1 4.36Å; S665-I727 PolarHBondContact O-N 2.87Å; I667-I727 HydrophobicContact CG1-CG2 4.05Å; I727-F729 PolarHBondContact O-N 3.04Å; I727-L730 HydrophobicContact CB-CD1 4.31Å; I727-L730 HydrophobicContact CG2-CD1 4.44Å; I727-L730 WeakPolarHBondContact O-CB 3.29Å; I727-L730 WeakPolarHBondContact O-CG 3.45Å; I727-L730 PolarHBondContact O-N 3.41Å; I727-L730 VanDerWaalsContact O-N 3.15Å
728Y91Very high94Very high11 Ų1118 Ų184%0.0439%0.093CC..G310 helixtrans-75.5-2.5176.253.5-105.2000113.7C549 V570 D571 R726 R732 E800C549-Y728 VanDerWaalsContact SG-CA 3.58Å; V570-Y728 HydrophobicContact CB-CD1 4.04Å; V570-Y728 HydrophobicContact CB-CE1 3.74Å; V570-Y728 HydrophobicContact CG2-CD1 4.2Å; V570-Y728 HydrophobicContact CG2-CE1 3.63Å; D571-Y728 PolarHBondContact OD1-OH 3.43Å; R726-Y728 VanDerWaalsContact C-N 3.26Å; R726-Y728 HydrophobicContact CB-CD1 4.07Å; R726-Y728 HydrophobicContact CB-CD2 4.16Å; R726-Y728 HydrophobicContact CB-CE1 3.58Å; R726-Y728 HydrophobicContact CB-CE2 3.68Å; R726-Y728 HydrophobicContact CB-CG 4.33Å; R726-Y728 VanDerWaalsContact CD-OH 3.3Å; R726-Y728 WeakPolarHBondContact CD-OH 3.44Å; R726-Y728 HydrophobicContact CG-CE1 3.98Å; R726-Y728 HydrophobicContact CG-CE2 4.16Å; R726-Y728 WeakPolarHBondContact CG-OH 3.46Å; R726-Y728 PolarHBondContact O-N 3.43Å; Y728-R732 PolarHBondContact O-NH1 3.24Å; Y728-E800 HydrophobicContact CD2-CB 4.14Å; Y728-E800 HydrophobicContact CE2-CB 3.72Å; Y728-E800 HydrophobicContact CE2-CG 4.24Å
729F92.5Very high94.3Very high3 Ų314.7 Ų14.71%0.0138%0.079CC..G310 helixtrans-94.8-7.8168.4-66-49000113.6E682 Y684 P722 N723 G724 R726 I727 N731 R732 E800E682-F729 HydrophobicContact CG-CE2 4.5Å; Y684-F729 HydrophobicContact CE1-CE2 4.31Å; Y684-F729 HydrophobicContact CE1-CZ 4.11Å; Y684-F729 WeakPolarHBondContact OH-CZ 3.4Å; P722-F729 HydrophobicContact CB-CB 4.2Å; N723-F729 HydrophobicContact CB-CB 4.16Å; N723-F729 HydrophobicContact CB-CD1 3.93Å; N723-F729 HydrophobicContact CB-CG 4.11Å; G724-F729 VanDerWaalsContact C-CD2 3.49Å; G724-F729 WeakPolarHBondContact O-CD2 3.3Å; R726-F729 HydrophobicContact CB-CD2 3.69Å; R726-F729 HydrophobicContact CB-CE2 4.08Å; R726-F729 HydrophobicContact CG-CD2 4.26Å; R726-F729 HydrophobicContact CG-CE2 4.22Å; R726-F729 WeakPolarHBondContact O-CB 3.25Å; R726-F729 PolarHBondContact O-N 2.94Å; I727-F729 PolarHBondContact O-N 3.04Å; F729-N731 PolarHBondContact O-N 3.1Å; F729-R732 PolarHBondContact O-N 3.26Å; F729-R732 VanDerWaalsContact O-N 3.07Å; F729-E800 HydrophobicContact CE1-CG 4.11Å; F729-E800 HydrophobicContact CZ-CG 4.25Å
730L90.3Very high94.7Very high60 Ų6014 Ų1431%0.3147%0.072SC..THydrogen-bonded Turntrans-64.5-3.2-177.3-69176.6000114.8I667 F718 F720 P722 I727I667-L730 HydrophobicContact CD1-CD1 4.45Å; I667-L730 HydrophobicContact CD1-CD2 3.69Å; I667-L730 HydrophobicContact CD1-CG 4.04Å; F718-L730 HydrophobicContact CD1-CD2 3.75Å; F718-L730 HydrophobicContact CD2-CD2 3.87Å; F718-L730 HydrophobicContact CE1-CD1 4.17Å; F718-L730 HydrophobicContact CE1-CD2 3.77Å; F718-L730 HydrophobicContact CE2-CD2 3.9Å; F718-L730 HydrophobicContact CG-CD2 3.79Å; F718-L730 HydrophobicContact CZ-CD2 3.85Å; F720-L730 WeakPolarHBondContact CZ-O 3.44Å; P722-L730 HydrophobicContact CB-CD2 4.41Å; P722-L730 HydrophobicContact CG-CD2 3.72Å; I727-L730 HydrophobicContact CB-CD1 4.31Å; I727-L730 HydrophobicContact CG2-CD1 4.44Å; I727-L730 WeakPolarHBondContact O-CB 3.29Å; I727-L730 WeakPolarHBondContact O-CG 3.45Å; I727-L730 PolarHBondContact O-N 3.41Å; I727-L730 VanDerWaalsContact O-N 3.15Å
731N88Confident94.8Very high57 Ų5713.2 Ų13.231%0.3057%0.069SC..THydrogen-bonded Turntrans-97.3-6.8176.271.9-13.9000114.6F729 K793F729-N731 PolarHBondContact O-N 3.1Å; N731-K793 VanDerWaalsContact CB-O 3.25Å; N731-K793 WeakPolarHBondContact CB-O 3.5Å; N731-K793 PolarHBondContact ND2-O 3.13Å; N731-K793 PolarHBondContact O-N 3.17Å
732R90.2Very high94.9Very high29 Ų2913.2 Ų13.211%0.1097%0.069CC..  trans-149.7150.7-17666.6-170.2174.5-76.19.6112.4N723 Y728 F729 A792 E800N723-R732 HydrophobicContact CB-CG 4.11Å; N723-R732 PolarHBondContact N-O 3.32Å; Y728-R732 PolarHBondContact O-NH1 3.24Å; F729-R732 PolarHBondContact O-N 3.26Å; F729-R732 VanDerWaalsContact O-N 3.07Å; R732-A792 HydrophobicContact CB-CB 3.87Å; R732-E800 IonicContact CZ-OE1 3.73Å; R732-E800 IonicContact NH2-OE1 3.6Å; R732-E800 PolarHBondContact NH2-OE1 2.85Å; R732-E800 IonicContact NH2-OE2 2.68Å; R732-E800 PolarHBondContact NH2-OE2 3.48Å
733S94.6Very high94.9Very high17 Ų1714.2 Ų14.212%0.1198%0.075CC..  trans-104-166.7172.6-1670000110.2V721V721-S733 WeakPolarHBondContact O-CB 3.23Å; V721-S733 PolarHBondContact O-OG 3.24Å
734Q93.9Very high95.1Very high23 Ų2314.4 Ų14.411%0.1078%0.075CC..  trans-134.2174.4175.1-103.4-175.1-15.200108.9Y685 W686 N723 W769Y685-Q734 HydrophobicContact CD1-CB 4.01Å; Y685-Q734 HydrophobicContact CG-CB 4.42Å; Y685-Q734 VanDerWaalsContact N-OE1 3.12Å; W686-Q734 HydrophobicContact CB-CB 4.46Å; W686-Q734 VanDerWaalsContact NE1-NE2 3.16Å; N723-Q734 HydrophobicContact CB-CG 4.13Å; N723-Q734 PolarHBondContact O-OE1 2.97Å; N723-Q734 VanDerWaalsContact O-OE1 3.1Å; N723-Q734 VanDerWaalsContact OD1-CD 3.29Å; N723-Q734 PolarHBondContact OD1-NE2 3.35Å; N723-Q734 VanDerWaalsContact OD1-NE2 3.13Å; Q734-W769 VanDerWaalsContact O-CZ2 3.23Å; Q734-W769 WeakPolarHBondContact O-CZ2 3.36Å
735P96.3Very high95.3Very high12 Ų1214.8 Ų14.88%0.0788%0.077CC..SBendtrans-49.5125.3177.1-30.339.1000111.9W686 F737 Y790 I837W686-P735 HydrophobicContact CB-CB 4.31Å; W686-P735 HydrophobicContact CD2-CG 4.04Å; W686-P735 HydrophobicContact CE3-CB 3.92Å; W686-P735 HydrophobicContact CE3-CG 3.46Å; W686-P735 VanDerWaalsContact CE3-CG 3.46Å; W686-P735 HydrophobicContact CZ3-CG 3.89Å; P735-F737 HydrophobicContact CB-CD2 4.04Å; P735-F737 HydrophobicContact CB-CE2 3.85Å; P735-F737 WeakPolarHBondContact O-CD2 3.17Å; P735-F737 PolarHBondContact O-N 3.14Å; P735-Y790 HydrophobicContact CG-CE1 4.32Å; P735-Y790 WeakPolarHBondContact CG-OH 3.32Å; P735-I837 HydrophobicContact CB-CD1 3.91Å
736P97.6Very high95.4Very high0 Ų016.6 Ų16.60%08%0.084CC..  trans-8588.3-162.530.1-33.8000113.4Y685 W769 L834 I837 M838 N841Y685-P736 HydrophobicContact CE1-CB 4.28Å; Y685-P736 WeakPolarHBondContact OH-CA 3.48Å; P736-W769 HydrophobicContact CB-CZ2 3.93Å; P736-W769 HydrophobicContact CG-CD2 4.21Å; P736-W769 HydrophobicContact CG-CZ2 3.93Å; P736-L834 HydrophobicContact CG-CD1 4.29Å; P736-I837 HydrophobicContact CG-CG2 3.9Å; P736-M838 HydrophobicContact CG-SD 3.56Å; P736-M838 VanDerWaalsContact CG-SD 3.56Å; P736-N841 PolarHBondContact O-ND2 3.26Å; P736-N841 PolarHBondContact O-OD1 3.35Å
737F98Very high95.5Very high3 Ų319.3 Ų19.31%0.01310%0.103CC..  trans-98.37.8-177.7-80.6-89.6000114.8Y685 W686 Y689 W690 P735 A739 A740 C741 I837 Y907 M961Y685-F737 PolarHBondContact OH-N 3.45Å; W686-F737 HydrophobicContact CB-CD2 4.19Å; Y689-F737 AromaticContact CD1-CD1 3.48Å; Y689-F737 HydrophobicContact CD1-CD1 3.48Å; Y689-F737 VanDerWaalsContact CD1-CD1 3.48Å; Y689-F737 AromaticContact CD1-CE1 3.83Å; Y689-F737 HydrophobicContact CD1-CE1 3.83Å; Y689-F737 HydrophobicContact CD1-CG 4.11Å; Y689-F737 HydrophobicContact CD2-CB 4.33Å; Y689-F737 HydrophobicContact CD2-CD1 4.2Å; Y689-F737 AromaticContact CE1-CD1 3.78Å; Y689-F737 HydrophobicContact CE1-CD1 3.78Å; Y689-F737 AromaticContact CE1-CE1 3.88Å; Y689-F737 HydrophobicContact CE1-CE1 3.88Å; Y689-F737 HydrophobicContact CE2-CD1 4.47Å; Y689-F737 HydrophobicContact CG-CB 3.97Å; Y689-F737 AromaticContact CG-CD1 3.72Å; Y689-F737 HydrophobicContact CG-CD1 3.72Å; Y689-F737 HydrophobicContact CG-CG 4.04Å; W690-F737 HydrophobicContact CH2-CE2 4.03Å; W690-F737 HydrophobicContact CH2-CZ 4.09Å; W690-F737 HydrophobicContact CZ2-CZ 4.43Å; P735-F737 HydrophobicContact CB-CD2 4.04Å; P735-F737 HydrophobicContact CB-CE2 3.85Å; P735-F737 WeakPolarHBondContact O-CD2 3.17Å; P735-F737 PolarHBondContact O-N 3.14Å; F737-A739 PolarHBondContact O-N 3.11Å; F737-A740 HydrophobicContact CD1-CB 3.95Å; F737-A740 WeakPolarHBondContact O-CB 3.17Å; F737-A740 PolarHBondContact O-N 3.45Å; F737-A740 VanDerWaalsContact O-N 3.13Å; F737-C741 PolarHBondContact O-N 2.82Å; F737-C741 PolarHBondContact O-SG 3.06Å; F737-I837 HydrophobicContact CE2-CD1 3.67Å; F737-I837 HydrophobicContact CE2-CG1 4.28Å; F737-I837 HydrophobicContact CZ-CD1 3.86Å; F737-I837 HydrophobicContact CZ-CG1 4.07Å; F737-Y907 AromaticContact CE1-CE1 3.85Å; F737-Y907 HydrophobicContact CE1-CE1 3.85Å; F737-Y907 HydrophobicContact CZ-CE1 4.39Å; F737-M961 HydrophobicContact CZ-SD 3.98Å
738L98.4Very high95.7Very high0 Ų020.1 Ų20.10%011%0.114CC..Hα-helixtrans-61.2-41.4-177.5-17357.3000112.7Y685 I708 L711 V712 V715 V721 A740 C741 V742 L762 E765Y685-L738 HydrophobicContact CE2-CB 3.89Å; Y685-L738 VanDerWaalsContact OH-CB 3.23Å; Y685-L738 WeakPolarHBondContact OH-CB 3.47Å; Y685-L738 PolarHBondContact OH-N 3.03Å; Y685-L738 VanDerWaalsContact OH-N 3.08Å; I708-L738 HydrophobicContact CG2-CD1 4.31Å; L711-L738 HydrophobicContact CB-CD1 3.59Å; L711-L738 HydrophobicContact CB-CD2 4.49Å; L711-L738 HydrophobicContact CD1-CD1 3.8Å; L711-L738 HydrophobicContact CG-CD1 4.35Å; V712-L738 HydrophobicContact CG2-CD2 4.41Å; V715-L738 HydrophobicContact CG2-CD2 3.86Å; V721-L738 HydrophobicContact CG2-CD2 4.11Å; L738-A740 VanDerWaalsContact C-N 3.31Å; L738-A740 PolarHBondContact O-N 3.47Å; L738-C741 WeakPolarHBondContact O-CB 3.3Å; L738-C741 PolarHBondContact O-N 2.87Å; L738-V742 PolarHBondContact O-N 3.22Å; L738-V742 VanDerWaalsContact O-N 3.08Å; L738-L762 HydrophobicContact CB-CD2 4.25Å; L738-L762 HydrophobicContact CD2-CD2 3.69Å; L738-L762 HydrophobicContact CG-CD2 3.49Å; L738-L762 VanDerWaalsContact CG-CD2 3.49Å; L738-E765 VanDerWaalsContact CB-OE2 3.23Å; L738-E765 WeakPolarHBondContact CB-OE2 3.42Å; L738-E765 WeakPolarHBondContact CD2-OE2 3.23Å
739A98.2Very high96Very high6 Ų621.6 Ų21.65%0.0512%0.124CC..Hα-helixtrans-61.1-4117500000111.7F737 C741 V742 N743 N841 M848F737-A739 PolarHBondContact O-N 3.11Å; A739-C741 PolarHBondContact O-N 3.17Å; A739-V742 PolarHBondContact O-N 3.33Å; A739-N743 WeakPolarHBondContact O-CB 3.38Å; A739-N743 PolarHBondContact O-N 3.43Å; A739-N841 HydrophobicContact CB-CB 4.45Å; A739-M848 HydrophobicContact CB-CE 4.3Å
740A98.1Very high96.2Very high1 Ų127.7 Ų27.71%0.00815%0.151CC..Hα-helixtrans-64.3-38.917500000112.5Y689 F737 L738 N743 D744 M844Y689-A740 HydrophobicContact CD2-CB 4.08Å; Y689-A740 HydrophobicContact CE2-CB 3.6Å; F737-A740 HydrophobicContact CD1-CB 3.95Å; F737-A740 WeakPolarHBondContact O-CB 3.17Å; F737-A740 PolarHBondContact O-N 3.45Å; F737-A740 VanDerWaalsContact O-N 3.13Å; L738-A740 VanDerWaalsContact C-N 3.31Å; L738-A740 PolarHBondContact O-N 3.47Å; A740-N743 PolarHBondContact O-N 3.27Å; A740-D744 WeakPolarHBondContact O-CB 3.36Å; A740-D744 PolarHBondContact O-N 3.44Å; A740-M844 VanDerWaalsContact CA-SD 3.5Å; A740-M844 HydrophobicContact CB-CE 3.95Å; A740-M844 HydrophobicContact CB-SD 3.8Å
741C98.5Very high96.6Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-59.5-46.9174.7-63.20000111.5I692 I708 F737 L738 A739 Y745I692-C741 HydrophobicContact CD1-CB 3.87Å; I708-C741 HydrophobicContact CD1-CB 4.25Å; I708-C741 HydrophobicContact CG1-CB 4.02Å; F737-C741 PolarHBondContact O-N 2.82Å; F737-C741 PolarHBondContact O-SG 3.06Å; L738-C741 WeakPolarHBondContact O-CB 3.3Å; L738-C741 PolarHBondContact O-N 2.87Å; A739-C741 PolarHBondContact O-N 3.17Å; C741-Y745 WeakPolarHBondContact O-CB 3.44Å; C741-Y745 PolarHBondContact O-N 3.26Å
742V98.6Very high97Very high0 Ų027.6 Ų27.60%015%0.15CC..Hα-helixtrans-66-43.4178.5175.80000111.1I708 L738 A739 D744 Y745 Y746 V755 V758 L762 M848I708-V742 HydrophobicContact CG2-CG2 3.74Å; L738-V742 PolarHBondContact O-N 3.22Å; L738-V742 VanDerWaalsContact O-N 3.08Å; A739-V742 PolarHBondContact O-N 3.33Å; V742-D744 PolarHBondContact O-N 2.98Å; V742-Y745 PolarHBondContact O-N 3.4Å; V742-Y746 WeakPolarHBondContact O-CB 3.43Å; V742-Y746 PolarHBondContact O-N 2.99Å; V742-V755 HydrophobicContact CG1-CG2 4.29Å; V742-V758 HydrophobicContact CB-CG2 4.4Å; V742-V758 HydrophobicContact CG1-CG2 3.63Å; V742-V758 HydrophobicContact CG2-CG2 3.83Å; V742-L762 HydrophobicContact CB-CD1 4.1Å; V742-L762 HydrophobicContact CG1-CD1 4.2Å; V742-L762 HydrophobicContact CG2-CD1 4.04Å; V742-L762 HydrophobicContact CG2-CD2 4.04Å; V742-M848 HydrophobicContact CB-SD 4.31Å; V742-M848 HydrophobicContact CG1-SD 3.71Å
743N98Very high97.3Very high22 Ų2228.4 Ų28.412%0.11817%0.168CC..Hα-helixtrans-61.5-43.7179.1-176.571.9000112.5A739 A740 Y746 S747 M844A739-N743 WeakPolarHBondContact O-CB 3.38Å; A739-N743 PolarHBondContact O-N 3.43Å; A740-N743 PolarHBondContact O-N 3.27Å; N743-Y746 PolarHBondContact O-N 3.45Å; N743-S747 WeakPolarHBondContact O-CB 3.27Å; N743-S747 PolarHBondContact O-N 3.08Å; N743-S747 PolarHBondContact O-OG 3.2Å; N743-M844 HydrophobicContact CB-CG 4.37Å; N743-M844 HydrophobicContact CB-SD 4.29Å
744D97.7Very high97.4Very high28 Ų2828 Ų2815%0.1516%0.164CC..Hα-helixtrans-69.5-39.3177.9-75.5-17000111.7Y689 K693 L696 A740 V742 S747 A748Y689-D744 WeakPolarHBondContact CE2-OD2 3.13Å; Y689-D744 PolarHBondContact OH-OD2 3.04Å; K693-D744 WeakPolarHBondContact CE-OD2 3.33Å; K693-D744 IonicContact NZ-OD1 3.6Å; K693-D744 IonicContact NZ-OD2 3.68Å; K693-D744 PolarHBondContact NZ-OD2 3.13Å; L696-D744 HydrophobicContact CD1-CB 3.98Å; A740-D744 WeakPolarHBondContact O-CB 3.36Å; A740-D744 PolarHBondContact O-N 3.44Å; V742-D744 PolarHBondContact O-N 2.98Å; D744-S747 PolarHBondContact O-N 3.08Å; D744-A748 PolarHBondContact O-N 2.63Å; D744-A748 VanDerWaalsContact O-N 3.08Å
745Y98.6Very high97.6Very high8 Ų826.9 Ų26.93%0.03116%0.158CC..Hα-helixtrans-61-46.6173.2173.2-90.2000111.7L696 Y701 A704 K705 I708 C741 V742 S747 A748 T749 D751 F754L696-Y745 HydrophobicContact CD2-CD2 4.29Å; Y701-Y745 WeakPolarHBondContact O-CE2 3.22Å; A704-Y745 HydrophobicContact CB-CD2 4.37Å; K705-Y745 HydrophobicContact CB-CD2 4.49Å; K705-Y745 HydrophobicContact CB-CE2 3.74Å; K705-Y745 WeakPolarHBondContact CD-OH 3.27Å; K705-Y745 HydrophobicContact CG-CE2 4.28Å; I708-Y745 HydrophobicContact CD1-CD2 4.35Å; I708-Y745 HydrophobicContact CD1-CG 4.03Å; C741-Y745 WeakPolarHBondContact O-CB 3.44Å; C741-Y745 PolarHBondContact O-N 3.26Å; V742-Y745 PolarHBondContact O-N 3.4Å; Y745-S747 VanDerWaalsContact C-N 3.33Å; Y745-S747 PolarHBondContact O-N 2.85Å; Y745-A748 PolarHBondContact O-N 3.27Å; Y745-T749 HydrophobicContact CD2-CG2 4.1Å; Y745-T749 HydrophobicContact CE1-CG2 4.31Å; Y745-T749 WeakPolarHBondContact CE1-OG1 3.23Å; Y745-T749 HydrophobicContact CE2-CG2 3.7Å; Y745-T749 WeakPolarHBondContact O-CB 3.38Å; Y745-T749 WeakPolarHBondContact O-CG2 3.23Å; Y745-T749 PolarHBondContact O-N 3.2Å; Y745-T749 PolarHBondContact O-OG1 3.22Å; Y745-D751 HydrophobicContact CE1-CB 3.9Å; Y745-D751 PolarHBondContact OH-OD2 3.05Å; Y745-D751 VanDerWaalsContact OH-OD2 3.1Å; Y745-F754 AromaticContact CD1-CD1 3.4Å; Y745-F754 HydrophobicContact CD1-CD1 3.4Å; Y745-F754 VanDerWaalsContact CD1-CD1 3.4Å; Y745-F754 AromaticContact CD1-CE1 3.65Å; Y745-F754 HydrophobicContact CD1-CE1 3.65Å; Y745-F754 HydrophobicContact CD1-CG 4.4Å; Y745-F754 HydrophobicContact CE1-CB 4.14Å; Y745-F754 AromaticContact CE1-CD1 3.3Å; Y745-F754 HydrophobicContact CE1-CD1 3.3Å; Y745-F754 AromaticContact CE1-CE1 3.82Å; Y745-F754 HydrophobicContact CE1-CE1 3.82Å; Y745-F754 AromaticContact CE1-CG 3.87Å; Y745-F754 HydrophobicContact CE1-CG 3.87Å; Y745-F754 HydrophobicContact CG-CD1 4.46Å; Y745-F754 HydrophobicContact CG-CE1 4.31Å
746Y98.2Very high97.7Very high38 Ų3832.2 Ų32.215%0.14918%0.182CC..Hα-helixtrans-62.5-41.7176.1174.3-103.7000111.4V742 N743 A748 T749 K750 L752 V755 L851V742-Y746 WeakPolarHBondContact O-CB 3.43Å; V742-Y746 PolarHBondContact O-N 2.99Å; N743-Y746 PolarHBondContact O-N 3.45Å; Y746-A748 PolarHBondContact O-N 3.1Å; Y746-T749 PolarHBondContact O-N 3.01Å; Y746-K750 WeakPolarHBondContact O-CA 3.37Å; Y746-K750 PolarHBondContact O-N 3.35Å; Y746-L752 HydrophobicContact CE2-CB 4.22Å; Y746-L752 HydrophobicContact CE2-CD1 4.24Å; Y746-V755 HydrophobicContact CD2-CG2 3.51Å; Y746-V755 HydrophobicContact CE2-CG2 4.37Å; Y746-V755 HydrophobicContact CG-CG2 3.73Å; Y746-L851 HydrophobicContact CD1-CD1 3.96Å; Y746-L851 HydrophobicContact CE1-CD1 3.4Å; Y746-L851 HydrophobicContact CE1-CD2 4.34Å
747S96.8Very high97.6Very high57 Ų5737.8 Ų37.840%0.39921%0.207SC..Hα-helixtrans-58.3-38.2177.9-67.20000112.2N743 D744 Y745 K750N743-S747 WeakPolarHBondContact O-CB 3.27Å; N743-S747 PolarHBondContact O-N 3.08Å; N743-S747 PolarHBondContact O-OG 3.2Å; D744-S747 PolarHBondContact O-N 3.08Å; Y745-S747 VanDerWaalsContact C-N 3.33Å; Y745-S747 PolarHBondContact O-N 2.85Å; S747-K750 VanDerWaalsContact O-CE 3.32Å; S747-K750 WeakPolarHBondContact O-CE 3.28Å; S747-K750 PolarHBondContact O-NZ 3.42Å
748A96.5Very high97.6Very high47 Ų4737.7 Ų37.739%0.38821%0.206SC..Hα-helixtrans-79.9-33.4179.400000114.4L696 Y701 D744 Y745 Y746L696-A748 HydrophobicContact CD2-CB 4.08Å; Y701-A748 HydrophobicContact CD1-CB 4.42Å; Y701-A748 HydrophobicContact CE1-CB 3.99Å; D744-A748 PolarHBondContact O-N 2.63Å; D744-A748 VanDerWaalsContact O-N 3.08Å; Y745-A748 PolarHBondContact O-N 3.27Å; Y746-A748 PolarHBondContact O-N 3.1Å
749T97.5Very high97.5Very high42 Ų4237.8 Ų37.826%0.25821%0.207SC..Hα-helixtrans-111.3-23.3-169.561.70000114.8Y701 Y745 Y746 D751Y701-T749 HydrophobicContact CD1-CG2 3.77Å; Y701-T749 HydrophobicContact CE1-CG2 4.5Å; Y701-T749 HydrophobicContact CG-CG2 3.9Å; Y745-T749 HydrophobicContact CD2-CG2 4.1Å; Y745-T749 HydrophobicContact CE1-CG2 4.31Å; Y745-T749 WeakPolarHBondContact CE1-OG1 3.23Å; Y745-T749 HydrophobicContact CE2-CG2 3.7Å; Y745-T749 WeakPolarHBondContact O-CB 3.38Å; Y745-T749 WeakPolarHBondContact O-CG2 3.23Å; Y745-T749 PolarHBondContact O-N 3.2Å; Y745-T749 PolarHBondContact O-OG1 3.22Å; Y746-T749 PolarHBondContact O-N 3.01Å; T749-D751 PolarHBondContact O-N 2.93Å; T749-D751 WeakPolarHBondContact OG1-CB 3.23Å; T749-D751 PolarHBondContact OG1-N 3.05Å
750K97.2Very high97.4Very high132 Ų13241.5 Ų41.557%0.57423%0.231SC*.  trans57.223.9-169.8-49.9-59175.5-170.80114Y746 S747 L752Y746-K750 WeakPolarHBondContact O-CA 3.37Å; Y746-K750 PolarHBondContact O-N 3.35Å; S747-K750 VanDerWaalsContact O-CE 3.32Å; S747-K750 WeakPolarHBondContact O-CE 3.28Å; S747-K750 PolarHBondContact O-NZ 3.42Å; K750-L752 VanDerWaalsContact C-N 3.35Å; K750-L752 PolarHBondContact O-N 3.3Å
751D97.5Very high97.4Very high45 Ų4542.4 Ų42.424%0.24124%0.235CC..  trans-7581.2178.3-175-5.4000110.9K705 Y745 T749 G753 F754 V755K705-D751 IonicContact NZ-OD2 2.73Å; K705-D751 PolarHBondContact NZ-OD2 3.2Å; Y745-D751 HydrophobicContact CE1-CB 3.9Å; Y745-D751 PolarHBondContact OH-OD2 3.05Å; Y745-D751 VanDerWaalsContact OH-OD2 3.1Å; T749-D751 PolarHBondContact O-N 2.93Å; T749-D751 WeakPolarHBondContact OG1-CB 3.23Å; T749-D751 PolarHBondContact OG1-N 3.05Å; D751-G753 VanDerWaalsContact C-N 3.3Å; D751-G753 PolarHBondContact O-N 2.88Å; D751-F754 HydrophobicContact CB-CB 4.16Å; D751-F754 PolarHBondContact O-N 3.01Å; D751-F754 WeakPolarHBondContact OD1-CB 3.35Å; D751-F754 PolarHBondContact OD1-N 3.49Å; D751-F754 WeakPolarHBondContact OD2-CB 3.35Å; D751-V755 PolarHBondContact O-N 3.48Å
752L96.6Very high97.4Very high70 Ų7042.6 Ų42.637%0.36624%0.236SC..Hα-helixtrans-64.3-34.6-179.4-175.264000112.3Y746 K750 F754 V755 Q756 L851 V852Y746-L752 HydrophobicContact CE2-CB 4.22Å; Y746-L752 HydrophobicContact CE2-CD1 4.24Å; K750-L752 VanDerWaalsContact C-N 3.35Å; K750-L752 PolarHBondContact O-N 3.3Å; L752-F754 VanDerWaalsContact C-N 3.27Å; L752-F754 PolarHBondContact O-N 3.18Å; L752-V755 PolarHBondContact O-N 3.38Å; L752-Q756 PolarHBondContact O-N 2.98Å; L752-L851 HydrophobicContact CD1-CB 4.01Å; L752-V852 HydrophobicContact CD1-CG1 4.22Å
753G96.6Very high97.3Very high46 Ų4643.7 Ų43.747%0.47424%0.241SC..Hα-helixtrans-61.8-36.8177.600000112D751 F757D751-G753 VanDerWaalsContact C-N 3.3Å; D751-G753 PolarHBondContact O-N 2.88Å; G753-F757 WeakPolarHBondContact O-CB 3.43Å; G753-F757 PolarHBondContact O-N 3.42Å; G753-F757 VanDerWaalsContact O-N 3.09Å
754F97.5Very high97.3Very high7 Ų747.2 Ų47.23%0.03126%0.255CS..Hα-helixtrans-66.3-43.3173.3-177.9-111.7000113K705 I708 L709 Y745 D751 L752 Q756 F757 V758K705-F754 HydrophobicContact CD-CD2 4.38Å; K705-F754 HydrophobicContact CD-CE2 4.4Å; K705-F754 HydrophobicContact CG-CD2 4.18Å; K705-F754 HydrophobicContact CG-CE2 3.74Å; K705-F754 HydrophobicContact CG-CZ 3.94Å; I708-F754 HydrophobicContact CB-CZ 4.1Å; I708-F754 HydrophobicContact CD1-CE1 4.3Å; I708-F754 HydrophobicContact CG2-CE1 4Å; I708-F754 HydrophobicContact CG2-CZ 3.64Å; L709-F754 HydrophobicContact CD1-CE2 4.33Å; L709-F754 HydrophobicContact CD2-CE2 3.77Å; L709-F754 HydrophobicContact CD2-CZ 4.47Å; L709-F754 HydrophobicContact CG-CE2 3.87Å; L709-F754 HydrophobicContact CG-CZ 4.34Å; Y745-F754 AromaticContact CD1-CD1 3.4Å; Y745-F754 HydrophobicContact CD1-CD1 3.4Å; Y745-F754 VanDerWaalsContact CD1-CD1 3.4Å; Y745-F754 AromaticContact CD1-CE1 3.65Å; Y745-F754 HydrophobicContact CD1-CE1 3.65Å; Y745-F754 HydrophobicContact CD1-CG 4.4Å; Y745-F754 HydrophobicContact CE1-CB 4.14Å; Y745-F754 AromaticContact CE1-CD1 3.3Å; Y745-F754 HydrophobicContact CE1-CD1 3.3Å; Y745-F754 AromaticContact CE1-CE1 3.82Å; Y745-F754 HydrophobicContact CE1-CE1 3.82Å; Y745-F754 AromaticContact CE1-CG 3.87Å; Y745-F754 HydrophobicContact CE1-CG 3.87Å; Y745-F754 HydrophobicContact CG-CD1 4.46Å; Y745-F754 HydrophobicContact CG-CE1 4.31Å; D751-F754 HydrophobicContact CB-CB 4.16Å; D751-F754 PolarHBondContact O-N 3.01Å; D751-F754 WeakPolarHBondContact OD1-CB 3.35Å; D751-F754 PolarHBondContact OD1-N 3.49Å; D751-F754 WeakPolarHBondContact OD2-CB 3.35Å; L752-F754 VanDerWaalsContact C-N 3.27Å; L752-F754 PolarHBondContact O-N 3.18Å; F754-Q756 VanDerWaalsContact C-N 3.34Å; F754-Q756 PolarHBondContact O-N 3.38Å; F754-F757 PolarHBondContact O-N 3.22Å; F754-V758 HydrophobicContact CD2-CG1 4.18Å; F754-V758 HydrophobicContact CE1-CG1 4.28Å; F754-V758 HydrophobicContact CE2-CG1 3.76Å; F754-V758 HydrophobicContact CZ-CG1 3.82Å; F754-V758 WeakPolarHBondContact O-CG2 3.47Å; F754-V758 PolarHBondContact O-N 3.09Å; F754-V758 VanDerWaalsContact O-N 3.07Å
755V97.8Very high97.3Very high0 Ų046.2 Ų46.20%025%0.25CS..Hα-helixtrans-58.3-49.1175.5177.30000110.1V742 Y746 D751 L752 F757 V758 L759 M848 V852V742-V755 HydrophobicContact CG1-CG2 4.29Å; Y746-V755 HydrophobicContact CD2-CG2 3.51Å; Y746-V755 HydrophobicContact CE2-CG2 4.37Å; Y746-V755 HydrophobicContact CG-CG2 3.73Å; D751-V755 PolarHBondContact O-N 3.48Å; L752-V755 PolarHBondContact O-N 3.38Å; V755-F757 PolarHBondContact O-N 3.31Å; V755-V758 PolarHBondContact O-N 3.45Å; V755-L759 VanDerWaalsContact O-CB 3.27Å; V755-L759 WeakPolarHBondContact O-CB 3.38Å; V755-L759 PolarHBondContact O-N 2.96Å; V755-M848 HydrophobicContact CG1-CB 3.97Å; V755-M848 HydrophobicContact CG1-CG 3.92Å; V755-M848 HydrophobicContact CG1-SD 4.04Å; V755-V852 HydrophobicContact CG1-CG1 4.27Å
756Q96.9Very high97.3Very high124 Ų12446.9 Ų46.958%0.57925%0.252SS*.Hα-helixtrans-58.5-36.2179-168.6174.317.100112.7L752 F754 V852L752-Q756 PolarHBondContact O-N 2.98Å; F754-Q756 VanDerWaalsContact C-N 3.34Å; F754-Q756 PolarHBondContact O-N 3.38Å; Q756-V852 HydrophobicContact CB-CG1 4.01Å; Q756-V852 HydrophobicContact CG-CG1 4.34Å
757F96.8Very high97.2Very high118 Ų11847.6 Ų47.652%0.51826%0.257SS..Hα-helixtrans-68.9-44.4177171.2-104000113L709 G753 F754 V755L709-F757 HydrophobicContact CD2-CD1 4.34Å; L709-F757 HydrophobicContact CD2-CE1 3.71Å; G753-F757 WeakPolarHBondContact O-CB 3.43Å; G753-F757 PolarHBondContact O-N 3.42Å; G753-F757 VanDerWaalsContact O-N 3.09Å; F754-F757 PolarHBondContact O-N 3.22Å; V755-F757 PolarHBondContact O-N 3.31Å
758V97.6Very high97.2Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-86.5-22.5-173.3-58.50000113.9V712 V742 F754 V755 I761 L762V712-V758 HydrophobicContact CG2-CB 4.26Å; V712-V758 HydrophobicContact CG2-CG1 3.99Å; V742-V758 HydrophobicContact CB-CG2 4.4Å; V742-V758 HydrophobicContact CG1-CG2 3.63Å; V742-V758 HydrophobicContact CG2-CG2 3.83Å; F754-V758 HydrophobicContact CD2-CG1 4.18Å; F754-V758 HydrophobicContact CE1-CG1 4.28Å; F754-V758 HydrophobicContact CE2-CG1 3.76Å; F754-V758 HydrophobicContact CZ-CG1 3.82Å; F754-V758 WeakPolarHBondContact O-CG2 3.47Å; F754-V758 PolarHBondContact O-N 3.09Å; F754-V758 VanDerWaalsContact O-N 3.07Å; V755-V758 PolarHBondContact O-N 3.45Å; V758-I761 WeakPolarHBondContact O-CA 3.47Å; V758-I761 WeakPolarHBondContact O-CB 3.23Å; V758-I761 PolarHBondContact O-N 3.03Å; V758-L762 HydrophobicContact CG2-CD1 4.3Å; V758-L762 HydrophobicContact CG2-CG 4.45Å; V758-L762 PolarHBondContact O-N 3.45Å
759L97.3Very high97.2Very high3 Ų344 Ų442%0.01623%0.226CC..Hα-helixtrans-55.7-43.3-170.3-169.459.5000114.5V755 I761 L762 E763 L845 M848 Y849 V852V755-L759 VanDerWaalsContact O-CB 3.27Å; V755-L759 WeakPolarHBondContact O-CB 3.38Å; V755-L759 PolarHBondContact O-N 2.96Å; L759-I761 PolarHBondContact O-N 2.92Å; L759-L762 HydrophobicContact CD1-CD1 4.22Å; L759-L762 WeakPolarHBondContact O-CB 3.39Å; L759-L762 PolarHBondContact O-N 2.64Å; L759-E763 PolarHBondContact O-N 2.96Å; L759-L845 HydrophobicContact CD1-CD2 3.83Å; L759-M848 HydrophobicContact CD1-CB 3.76Å; L759-M848 HydrophobicContact CD1-CE 4.4Å; L759-M848 HydrophobicContact CD1-SD 4.41Å; L759-M848 HydrophobicContact CD2-CB 4.3Å; L759-Y849 HydrophobicContact CD1-CD2 4.35Å; L759-Y849 HydrophobicContact CD1-CE1 4.49Å; L759-Y849 HydrophobicContact CD1-CE2 4.13Å; L759-Y849 HydrophobicContact CD2-CD1 3.33Å; L759-Y849 HydrophobicContact CD2-CD2 4.31Å; L759-Y849 HydrophobicContact CD2-CE1 3.49Å; L759-Y849 VanDerWaalsContact CD2-CE1 3.49Å; L759-Y849 HydrophobicContact CD2-CE2 4.42Å; L759-Y849 HydrophobicContact CD2-CG 3.79Å; L759-Y849 HydrophobicContact CG-CD1 4.01Å; L759-Y849 HydrophobicContact CG-CD2 4.48Å; L759-Y849 HydrophobicContact CG-CE1 3.67Å; L759-Y849 HydrophobicContact CG-CE2 4.16Å; L759-Y849 HydrophobicContact CG-CG 4.41Å; L759-V852 HydrophobicContact CD2-CG1 4.32Å; L759-V852 HydrophobicContact CD2-CG2 3.63Å
760P95.9Very high97.1Very high84 Ų8443.3 Ų43.355%0.54522%0.221SC..Hα-helixtrans-61.9-27.7175.3-22.434.3000113.6K764P760-K764 PolarHBondContact O-N 3.25Å
761I97.1Very high97Very high19 Ų1945.2 Ų45.210%0.09723%0.225CC..Hα-helixtrans-81.1-37.7179.6-55167.8000109.8V712 V715 E716 V758 L759 E763 K764 E765V712-I761 HydrophobicContact CG1-CB 4.18Å; V712-I761 HydrophobicContact CG1-CD1 3.33Å; V712-I761 HydrophobicContact CG1-CG1 4.33Å; V712-I761 HydrophobicContact CG1-CG2 3.88Å; V715-I761 HydrophobicContact CB-CG2 3.61Å; V715-I761 HydrophobicContact CG1-CG2 3.68Å; V715-I761 WeakPolarHBondContact CG1-O 3.39Å; E716-I761 HydrophobicContact CG-CD1 3.8Å; E716-I761 HydrophobicContact CG-CG1 4.21Å; E716-I761 HydrophobicContact CG-CG2 4.05Å; V758-I761 WeakPolarHBondContact O-CA 3.47Å; V758-I761 WeakPolarHBondContact O-CB 3.23Å; V758-I761 PolarHBondContact O-N 3.03Å; L759-I761 PolarHBondContact O-N 2.92Å; I761-E763 PolarHBondContact O-N 3.13Å; I761-K764 WeakPolarHBondContact O-CB 3.47Å; I761-K764 PolarHBondContact O-N 2.76Å; I761-K764 VanDerWaalsContact O-N 3.15Å; I761-E765 PolarHBondContact O-N 3.3Å; I761-E765 VanDerWaalsContact O-N 3.15Å
762L98.2Very high96.7Very high4 Ų447 Ų472%0.02123%0.232CC..Hα-helixtrans-57.3-42.7169.8-60-176.2000111.1L738 V742 V758 L759 K764 E765 Y766 L845 M848L738-L762 HydrophobicContact CB-CD2 4.25Å; L738-L762 HydrophobicContact CD2-CD2 3.69Å; L738-L762 HydrophobicContact CG-CD2 3.49Å; L738-L762 VanDerWaalsContact CG-CD2 3.49Å; V742-L762 HydrophobicContact CB-CD1 4.1Å; V742-L762 HydrophobicContact CG1-CD1 4.2Å; V742-L762 HydrophobicContact CG2-CD1 4.04Å; V742-L762 HydrophobicContact CG2-CD2 4.04Å; V758-L762 HydrophobicContact CG2-CD1 4.3Å; V758-L762 HydrophobicContact CG2-CG 4.45Å; V758-L762 PolarHBondContact O-N 3.45Å; L759-L762 HydrophobicContact CD1-CD1 4.22Å; L759-L762 WeakPolarHBondContact O-CB 3.39Å; L759-L762 PolarHBondContact O-N 2.64Å; L762-K764 VanDerWaalsContact C-N 3.31Å; L762-K764 PolarHBondContact O-N 3.3Å; L762-E765 PolarHBondContact O-N 2.96Å; L762-Y766 PolarHBondContact O-N 3.34Å; L762-L845 HydrophobicContact CB-CD2 3.87Å; L762-L845 HydrophobicContact CD1-CD2 4.37Å; L762-M848 HydrophobicContact CD1-CE 3.72Å; L762-M848 HydrophobicContact CD1-SD 4.05Å
763E97.6Very high96.6Very high24 Ų2444.2 Ų44.211%0.11222%0.216CC..Hα-helixtrans-62.4-39.4176.8-176.553-151.800112L759 I761 E765 Y766 Q767 Y849 M857 H861L759-E763 PolarHBondContact O-N 2.96Å; I761-E763 PolarHBondContact O-N 3.13Å; E763-E765 VanDerWaalsContact C-N 3.31Å; E763-E765 PolarHBondContact O-N 3.32Å; E763-Y766 WeakPolarHBondContact O-CB 3.44Å; E763-Y766 PolarHBondContact O-N 3.32Å; E763-Q767 HydrophobicContact CG-CG 4.44Å; E763-Q767 WeakPolarHBondContact O-CB 3.45Å; E763-Q767 VanDerWaalsContact O-CG 3.23Å; E763-Q767 WeakPolarHBondContact O-CG 3.27Å; E763-Q767 PolarHBondContact O-N 2.85Å; E763-Q767 WeakPolarHBondContact OE1-CG 3.35Å; E763-Q767 PolarHBondContact OE1-NE2 3.46Å; E763-Y849 WeakPolarHBondContact CB-OH 3.24Å; E763-M857 HydrophobicContact CG-CE 4.03Å; E763-H861 IonicContact OE2-CE1 2.88Å; E763-H861 PolarHBondContact OE2-CE1 2.98Å; E763-H861 IonicContact OE2-NE2 3.88Å; E763-H861 PolarHBondContact OE2-NE2 3.31Å
764K97.3Very high96.5Very high95 Ų9543.7 Ų43.741%0.41320%0.202SC..Hα-helixtrans-59-42.1174.7-170.5-178.2-179.7-162.20112.1V715 E716 P760 I761 L762 F768V715-K764 HydrophobicContact CG1-CB 4.01Å; V715-K764 HydrophobicContact CG1-CD 4.21Å; V715-K764 HydrophobicContact CG1-CG 4.19Å; V715-K764 PolarHBondContact O-NZ 3.46Å; E716-K764 PolarHBondContact O-NZ 3.44Å; P760-K764 PolarHBondContact O-N 3.25Å; I761-K764 WeakPolarHBondContact O-CB 3.47Å; I761-K764 PolarHBondContact O-N 2.76Å; I761-K764 VanDerWaalsContact O-N 3.15Å; L762-K764 VanDerWaalsContact C-N 3.31Å; L762-K764 PolarHBondContact O-N 3.3Å; K764-F768 PolarHBondContact O-N 3.02Å; K764-F768 VanDerWaalsContact O-N 3.17Å
765E98Very high96.2Very high8 Ų845 Ų454%0.03721%0.209CC..Hα-helixtrans-67.4-43.7174.9-175.6177.5-15500111.8Y685 V715 L738 I761 L762 E763 Q767 F768 W769Y685-E765 WeakPolarHBondContact CE1-OE1 3.38Å; Y685-E765 PolarHBondContact OH-OE1 3.01Å; Y685-E765 PolarHBondContact OH-OE2 2.8Å; V715-E765 HydrophobicContact CG1-CB 3.79Å; V715-E765 HydrophobicContact CG2-CB 3.97Å; V715-E765 HydrophobicContact CG2-CG 4.37Å; L738-E765 VanDerWaalsContact CB-OE2 3.23Å; L738-E765 WeakPolarHBondContact CB-OE2 3.42Å; L738-E765 WeakPolarHBondContact CD2-OE2 3.23Å; I761-E765 PolarHBondContact O-N 3.3Å; I761-E765 VanDerWaalsContact O-N 3.15Å; L762-E765 PolarHBondContact O-N 2.96Å; E763-E765 VanDerWaalsContact C-N 3.31Å; E763-E765 PolarHBondContact O-N 3.32Å; E765-Q767 VanDerWaalsContact C-N 3.27Å; E765-Q767 PolarHBondContact O-N 3.29Å; E765-F768 VanDerWaalsContact O-CB 3.31Å; E765-F768 WeakPolarHBondContact O-CB 3.32Å; E765-F768 PolarHBondContact O-N 3.01Å; E765-W769 VanDerWaalsContact O-CD1 3.28Å; E765-W769 PolarHBondContact O-N 3.47Å
766Y98.1Very high95.9Very high21 Ų2149.5 Ų49.58%0.08224%0.238CC..Hα-helixtrans-54.3-47.4175.5178.1-93.6000111L762 E763 F768 W769 V770 M838 D842 L845 H861L762-Y766 PolarHBondContact O-N 3.34Å; E763-Y766 WeakPolarHBondContact O-CB 3.44Å; E763-Y766 PolarHBondContact O-N 3.32Å; Y766-F768 VanDerWaalsContact C-N 3.28Å; Y766-F768 PolarHBondContact O-N 2.74Å; Y766-W769 PolarHBondContact O-N 3.39Å; Y766-V770 HydrophobicContact CD1-CG2 3.91Å; Y766-V770 HydrophobicContact CE1-CG2 3.45Å; Y766-V770 VanDerWaalsContact CE1-CG2 3.45Å; Y766-V770 WeakPolarHBondContact O-CG2 3.43Å; Y766-V770 PolarHBondContact O-N 2.64Å; Y766-M838 HydrophobicContact CD2-CE 3.55Å; Y766-M838 HydrophobicContact CE2-CE 3.64Å; Y766-M838 HydrophobicContact CG-CE 4.47Å; Y766-D842 WeakPolarHBondContact CE2-OD1 3.3Å; Y766-D842 VanDerWaalsContact OH-CG 3.22Å; Y766-D842 PolarHBondContact OH-OD1 3.32Å; Y766-D842 PolarHBondContact OH-OD2 2.84Å; Y766-L845 HydrophobicContact CD2-CD1 3.72Å; Y766-L845 HydrophobicContact CE2-CD1 4.44Å; Y766-L845 HydrophobicContact CG-CD1 3.86Å; Y766-H861 AromaticContact CD1-CE1 3.84Å; Y766-H861 AromaticContact CE1-CE1 3.82Å
767Q97.2Very high95.6Very high54 Ų5444 Ų4425%0.25221%0.212SC..Hα-helixtrans-62.2-31.4177.3-69.8-61.6-39.100113.4E763 E765 V770 R771E763-Q767 HydrophobicContact CG-CG 4.44Å; E763-Q767 WeakPolarHBondContact O-CB 3.45Å; E763-Q767 VanDerWaalsContact O-CG 3.23Å; E763-Q767 WeakPolarHBondContact O-CG 3.27Å; E763-Q767 PolarHBondContact O-N 2.85Å; E763-Q767 WeakPolarHBondContact OE1-CG 3.35Å; E763-Q767 PolarHBondContact OE1-NE2 3.46Å; E765-Q767 VanDerWaalsContact C-N 3.27Å; E765-Q767 PolarHBondContact O-N 3.29Å; Q767-V770 PolarHBondContact O-N 2.94Å; Q767-R771 WeakPolarHBondContact O-CB 3.46Å; Q767-R771 VanDerWaalsContact O-CG 3.23Å; Q767-R771 WeakPolarHBondContact O-CG 3.43Å; Q767-R771 PolarHBondContact O-N 3.01Å
768F95.7Very high95Very high26 Ų2645.6 Ų45.611%0.11422%0.219CC..Hα-helixtrans-61.6-45.7171.4160.2-92.4000111.4G719 F720 K764 E765 Y766 R771 E772 R773G719-F768 WeakPolarHBondContact O-CB 3.44Å; F720-F768 HydrophobicContact CB-CB 4.24Å; F720-F768 HydrophobicContact CB-CD1 3.44Å; F720-F768 VanDerWaalsContact CB-CD1 3.44Å; F720-F768 HydrophobicContact CB-CD2 3.88Å; F720-F768 HydrophobicContact CB-CE1 3.56Å; F720-F768 HydrophobicContact CB-CE2 3.98Å; F720-F768 HydrophobicContact CB-CG 3.59Å; F720-F768 HydrophobicContact CB-CZ 3.81Å; F720-F768 AromaticContact CD1-CD2 3.86Å; F720-F768 HydrophobicContact CD1-CD2 3.86Å; F720-F768 HydrophobicContact CD1-CE1 4.44Å; F720-F768 AromaticContact CD1-CE2 3.49Å; F720-F768 HydrophobicContact CD1-CE2 3.49Å; F720-F768 VanDerWaalsContact CD1-CE2 3.49Å; F720-F768 HydrophobicContact CD1-CG 4.46Å; F720-F768 AromaticContact CD1-CZ 3.8Å; F720-F768 HydrophobicContact CD1-CZ 3.8Å; F720-F768 HydrophobicContact CD2-CE1 4.09Å; F720-F768 HydrophobicContact CD2-CE2 4.39Å; F720-F768 AromaticContact CD2-CZ 3.84Å; F720-F768 HydrophobicContact CD2-CZ 3.84Å; F720-F768 HydrophobicContact CE1-CE2 4.07Å; F720-F768 HydrophobicContact CE1-CZ 4.35Å; F720-F768 HydrophobicContact CE2-CZ 4.37Å; F720-F768 HydrophobicContact CG-CD1 4.14Å; F720-F768 HydrophobicContact CG-CD2 4.06Å; F720-F768 AromaticContact CG-CE1 3.79Å; F720-F768 HydrophobicContact CG-CE1 3.79Å; F720-F768 AromaticContact CG-CE2 3.7Å; F720-F768 HydrophobicContact CG-CE2 3.7Å; F720-F768 HydrophobicContact CG-CG 4.25Å; F720-F768 AromaticContact CG-CZ 3.53Å; F720-F768 HydrophobicContact CG-CZ 3.53Å; K764-F768 PolarHBondContact O-N 3.02Å; K764-F768 VanDerWaalsContact O-N 3.17Å; E765-F768 VanDerWaalsContact O-CB 3.31Å; E765-F768 WeakPolarHBondContact O-CB 3.32Å; E765-F768 PolarHBondContact O-N 3.01Å; Y766-F768 VanDerWaalsContact C-N 3.28Å; Y766-F768 PolarHBondContact O-N 2.74Å; F768-R771 PolarHBondContact O-N 2.9Å; F768-E772 HydrophobicContact CD2-CB 4.12Å; F768-E772 HydrophobicContact CD2-CG 3.85Å; F768-E772 HydrophobicContact CE2-CB 4.05Å; F768-E772 HydrophobicContact CE2-CG 4.05Å; F768-E772 VanDerWaalsContact O-CB 3.28Å; F768-E772 WeakPolarHBondContact O-CB 3.44Å; F768-E772 PolarHBondContact O-N 2.83Å; F768-R773 HydrophobicContact CE1-CG 4.36Å
769W96.8Very high93.9Very high3 Ų347 Ų471%0.01123%0.228CC..Hα-helixtrans-64.5-42.6177.9-72.595.2000111.8Q734 P736 E765 Y766 R771 R773 M774 Y788 Y790 L834 M838Q734-W769 VanDerWaalsContact O-CZ2 3.23Å; Q734-W769 WeakPolarHBondContact O-CZ2 3.36Å; P736-W769 HydrophobicContact CB-CZ2 3.93Å; P736-W769 HydrophobicContact CG-CD2 4.21Å; P736-W769 HydrophobicContact CG-CZ2 3.93Å; E765-W769 VanDerWaalsContact O-CD1 3.28Å; E765-W769 PolarHBondContact O-N 3.47Å; Y766-W769 PolarHBondContact O-N 3.39Å; W769-R771 PolarHBondContact O-N 3.1Å; W769-R773 HydrophobicContact CD2-CB 4.46Å; W769-R773 HydrophobicContact CD2-CG 4.16Å; W769-R773 HydrophobicContact CE3-CB 3.6Å; W769-R773 HydrophobicContact CE3-CG 3.49Å; W769-R773 VanDerWaalsContact CE3-CG 3.49Å; W769-R773 HydrophobicContact CZ3-CB 4.16Å; W769-R773 HydrophobicContact CZ3-CG 3.84Å; W769-R773 CarbonylContact O-C 3.54Å; W769-R773 WeakPolarHBondContact O-CA 3.35Å; W769-R773 VanDerWaalsContact O-CB 3.28Å; W769-R773 WeakPolarHBondContact O-CB 3.39Å; W769-R773 PolarHBondContact O-N 3.17Å; W769-M774 PolarHBondContact O-N 3.1Å; W769-Y788 HydrophobicContact CB-CD1 4.26Å; W769-Y788 HydrophobicContact CB-CE1 3.97Å; W769-Y790 HydrophobicContact CH2-CD1 4.37Å; W769-Y790 HydrophobicContact CH2-CE1 4.31Å; W769-Y790 HydrophobicContact CZ3-CD1 4.43Å; W769-L834 HydrophobicContact CE3-CD1 3.97Å; W769-L834 HydrophobicContact CE3-CD2 4.43Å; W769-L834 HydrophobicContact CH2-CD1 4.07Å; W769-L834 HydrophobicContact CZ3-CD1 3.57Å; W769-L834 HydrophobicContact CZ3-CD2 3.91Å; W769-L834 HydrophobicContact CZ3-CG 4.36Å; W769-M838 HydrophobicContact CB-CE 3.6Å; W769-M838 HydrophobicContact CB-SD 3.9Å; W769-M838 HydrophobicContact CD2-SD 4.25Å; W769-M838 HydrophobicContact CG-CE 4.14Å; W769-M838 HydrophobicContact CG-SD 3.85Å
770V95.7Very high92.6Very high27 Ų2751.4 Ų51.416%0.16427%0.273CS..Hα-helixtrans-58.4-47176.1172.40000111.5Y766 Q767 M774 R786Y766-V770 HydrophobicContact CD1-CG2 3.91Å; Y766-V770 HydrophobicContact CE1-CG2 3.45Å; Y766-V770 VanDerWaalsContact CE1-CG2 3.45Å; Y766-V770 WeakPolarHBondContact O-CG2 3.43Å; Y766-V770 PolarHBondContact O-N 2.64Å; Q767-V770 PolarHBondContact O-N 2.94Å; V770-M774 HydrophobicContact CB-CE 4.26Å; V770-M774 HydrophobicContact CG1-CE 3.58Å; V770-M774 WeakPolarHBondContact O-CB 3.42Å; V770-M774 WeakPolarHBondContact O-CE 3.48Å; V770-R786 PolarHBondContact O-NH2 2.66Å
771R94Very high91.3Very high171 Ų17155.8 Ų55.865%0.64529%0.287SS*.Hα-helixtrans-79.2-46.6-174.6-66.2173.5-156.4-1706.1112.7Q767 F768 W769Q767-R771 WeakPolarHBondContact O-CB 3.46Å; Q767-R771 VanDerWaalsContact O-CG 3.23Å; Q767-R771 WeakPolarHBondContact O-CG 3.43Å; Q767-R771 PolarHBondContact O-N 3.01Å; F768-R771 PolarHBondContact O-N 2.9Å; W769-R771 PolarHBondContact O-N 3.1Å
772E92.8Very high89.9Confident83 Ų8357.9 Ų57.939%0.38831%0.313SS..Hα-helixtrans-101-10.9-166-60.7-73.3137.400113.5F768 K793F768-E772 HydrophobicContact CD2-CB 4.12Å; F768-E772 HydrophobicContact CD2-CG 3.85Å; F768-E772 HydrophobicContact CE2-CB 4.05Å; F768-E772 HydrophobicContact CE2-CG 4.05Å; F768-E772 VanDerWaalsContact O-CB 3.28Å; F768-E772 WeakPolarHBondContact O-CB 3.44Å; F768-E772 PolarHBondContact O-N 2.83Å; E772-K793 WeakPolarHBondContact OE2-CE 3.33Å; E772-K793 IonicContact OE2-NZ 3.16Å; E772-K793 PolarHBondContact OE2-NZ 3.12Å
773R93.6Very high88.7Confident12 Ų1263.8 Ų63.85%0.04534%0.341CS..Hα-helixtrans-128.2-6.6-172.9-57.4-68.5-178.9-90.50.1114.9F768 W769 Y788 Q789 K791F768-R773 HydrophobicContact CE1-CG 4.36Å; W769-R773 HydrophobicContact CD2-CB 4.46Å; W769-R773 HydrophobicContact CD2-CG 4.16Å; W769-R773 HydrophobicContact CE3-CB 3.6Å; W769-R773 HydrophobicContact CE3-CG 3.49Å; W769-R773 VanDerWaalsContact CE3-CG 3.49Å; W769-R773 HydrophobicContact CZ3-CB 4.16Å; W769-R773 HydrophobicContact CZ3-CG 3.84Å; W769-R773 CarbonylContact O-C 3.54Å; W769-R773 WeakPolarHBondContact O-CA 3.35Å; W769-R773 VanDerWaalsContact O-CB 3.28Å; W769-R773 WeakPolarHBondContact O-CB 3.39Å; W769-R773 PolarHBondContact O-N 3.17Å; R773-Y788 WeakPolarHBondContact O-CA 3.31Å; R773-Q789 PolarHBondContact O-N 2.65Å; R773-K791 VanDerWaalsContact CZ-O 3.22Å; R773-K791 PolarHBondContact NE-O 2.8Å; R773-K791 VanDerWaalsContact NE-O 3.1Å; R773-K791 PolarHBondContact NH2-O 3.33Å
774M94.1Very high87.9Confident34 Ų3466.3 Ų66.317%0.16736%0.361CS..EExtended strand (participates in β ladder)trans-87.6127.4171.4-68.3-162.8-4300112.8W769 V770 R786 L787 Y788W769-M774 PolarHBondContact O-N 3.1Å; V770-M774 HydrophobicContact CB-CE 4.26Å; V770-M774 HydrophobicContact CG1-CE 3.58Å; V770-M774 WeakPolarHBondContact O-CB 3.42Å; V770-M774 WeakPolarHBondContact O-CE 3.48Å; M774-R786 HydrophobicContact CB-CB 4.32Å; M774-R786 HydrophobicContact CE-CB 4.17Å; M774-R786 PolarHBondContact O-NH2 3.29Å; M774-R786 HydrophobicContact SD-CB 4.17Å; M774-L787 CarbonylContact C-O 3.49Å; M774-L787 VanDerWaalsContact CA-O 3.26Å; M774-L787 WeakPolarHBondContact CA-O 3.07Å; M774-Y788 HydrophobicContact CG-CD1 3.45Å; M774-Y788 VanDerWaalsContact CG-CD1 3.45Å; M774-Y788 HydrophobicContact CG-CD2 4.5Å; M774-Y788 HydrophobicContact CG-CE1 3.27Å; M774-Y788 HydrophobicContact CG-CE2 4.37Å; M774-Y788 HydrophobicContact CG-CG 4.09Å; M774-Y788 HydrophobicContact SD-CD1 4.39Å; M774-Y788 HydrophobicContact SD-CE1 3.74Å; M774-Y788 HydrophobicContact SD-CE2 4.14Å; M774-Y788 VanDerWaalsContact SD-CZ 3.6Å
775I92.8Very high87.6Confident34 Ų3463.8 Ų63.817%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-108149.7174.460.1166.7000111.1R786 L787 Q789 V830 L889I775-R786 VanDerWaalsContact O-CA 3.29Å; I775-R786 WeakPolarHBondContact O-CA 3.23Å; I775-L787 WeakPolarHBondContact CG1-O 3.48Å; I775-L787 PolarHBondContact N-O 3.25Å; I775-L787 PolarHBondContact O-N 3.27Å; I775-Q789 HydrophobicContact CD1-CB 4.38Å; I775-V830 HydrophobicContact CD1-CG2 4.25Å; I775-L889 HydrophobicContact CD1-CD1 3.51Å; I775-L889 HydrophobicContact CD1-CD2 4.07Å; I775-L889 HydrophobicContact CD1-CG 4.42Å
776P91.2Very high87.3Confident95 Ų9569.1 Ų69.162%0.61737%0.371SS*.EExtended strand (participates in β ladder)trans-69.8137.7169.230.1-33.2000110.4I785P776-I785 CarbonylContact C-O 3.48Å
777F89.4Confident87.2Confident8 Ų868.1 Ų68.14%0.03537%0.367CS..EExtended strand (participates in β ladder)trans-129.4123174.2179.7-92.4000109.1T779 S784 I785 L787 L875 I887 L889 N892F777-T779 HydrophobicContact CD1-CG2 4.33Å; F777-T779 HydrophobicContact CE1-CG2 4.37Å; F777-S784 WeakPolarHBondContact O-CA 3.44Å; F777-I785 HydrophobicContact CB-CG1 4.16Å; F777-I785 HydrophobicContact CD1-CD1 4.04Å; F777-I785 HydrophobicContact CD1-CG1 3.98Å; F777-I785 PolarHBondContact N-O 2.88Å; F777-I785 PolarHBondContact O-N 2.92Å; F777-L787 HydrophobicContact CB-CD1 3.51Å; F777-L787 HydrophobicContact CB-CG 3.98Å; F777-L787 HydrophobicContact CD1-CD1 3.93Å; F777-L787 HydrophobicContact CD2-CD1 3.96Å; F777-L787 HydrophobicContact CG-CD1 3.52Å; F777-L787 HydrophobicContact CG-CG 4.47Å; F777-L875 HydrophobicContact CD1-CD1 4.44Å; F777-L875 HydrophobicContact CD1-CD2 4.17Å; F777-L875 HydrophobicContact CE1-CD1 3.61Å; F777-L875 HydrophobicContact CE1-CD2 4.04Å; F777-L875 HydrophobicContact CE1-CG 4.45Å; F777-L875 HydrophobicContact CZ-CD1 4.15Å; F777-I887 HydrophobicContact CE2-CG2 3.82Å; F777-I887 HydrophobicContact CZ-CG2 4.01Å; F777-L889 HydrophobicContact CD2-CD2 3.72Å; F777-L889 HydrophobicContact CE2-CD2 4.11Å; F777-N892 WeakPolarHBondContact CE2-OD1 3.47Å; F777-N892 HydrophobicContact CZ-CB 4.35Å
778K83.8Confident87.1Confident152 Ų15266.6 Ų66.666%0.66136%0.359SS*.EExtended strand (participates in β ladder)trans-86.8118.6176.5-71.3-173177.8-176.20109.4
779T75.9Confident87.1Confident31 Ų3165.9 Ų65.919%0.1936%0.356CS..  trans-71.3160.7169.767.50000109.6F777 E781 G782 E783 I785F777-T779 HydrophobicContact CD1-CG2 4.33Å; F777-T779 HydrophobicContact CE1-CG2 4.37Å; T779-E781 PolarHBondContact O-N 2.97Å; T779-G782 PolarHBondContact O-N 3.46Å; T779-G782 VanDerWaalsContact O-N 3.08Å; T779-E783 PolarHBondContact N-O 3.11Å; T779-E783 PolarHBondContact OG1-N 2.82Å; T779-E783 PolarHBondContact OG1-O 3.42Å; T779-I785 HydrophobicContact CG2-CD1 3.91Å; T779-I785 HydrophobicContact CG2-CG1 4.08Å; T779-I785 HydrophobicContact CG2-CG2 4.47Å
780G70.4Confident86.9Confident94 Ų9468 Ų6897%0.96936%0.364SS*.THydrogen-bonded Turntrans-59.2-15.3175.800000114
781E67.4Low86.5Confident176 Ų17672.2 Ų72.282%0.82238%0.381SS*.THydrogen-bonded Turntrans-91.90.6-179.7-60.7-177.5178.300113.2T779 E783T779-E781 PolarHBondContact O-N 2.97Å; E781-E783 VanDerWaalsContact C-N 3.32Å; E781-E783 PolarHBondContact O-N 3.42Å
782G68.3Low86Confident63 Ų6366.4 Ų66.465%0.64937%0.369SS*.SBendtrans86.4-5.6178.100000114.9T779T779-G782 PolarHBondContact O-N 3.46Å; T779-G782 VanDerWaalsContact O-N 3.08Å
783E71.9Confident85.2Confident129 Ų12968.9 Ų68.960%0.60338%0.379SS*.  trans-71.9137.4170.5-71-169153.900111.1T779 E781T779-E783 PolarHBondContact N-O 3.11Å; T779-E783 PolarHBondContact OG1-N 2.82Å; T779-E783 PolarHBondContact OG1-O 3.42Å; E781-E783 VanDerWaalsContact C-N 3.32Å; E781-E783 PolarHBondContact O-N 3.42Å
784S81.9Confident84Confident77 Ų7771.5 Ų71.554%0.53841%0.409SS..EExtended strand (participates in β ladder)trans-101.2104.7175-176.90000109.4F777F777-S784 WeakPolarHBondContact O-CA 3.44Å
785I90.1Very high82.8Confident41 Ų4177 Ų7721%0.2144%0.439CS..EExtended strand (participates in β ladder)trans-92.7168.2170.461.2175.7000110.2P776 F777 T779 L787 L875P776-I785 CarbonylContact C-O 3.48Å; F777-I785 HydrophobicContact CB-CG1 4.16Å; F777-I785 HydrophobicContact CD1-CD1 4.04Å; F777-I785 HydrophobicContact CD1-CG1 3.98Å; F777-I785 PolarHBondContact N-O 2.88Å; F777-I785 PolarHBondContact O-N 2.92Å; T779-I785 HydrophobicContact CG2-CD1 3.91Å; T779-I785 HydrophobicContact CG2-CG1 4.08Å; T779-I785 HydrophobicContact CG2-CG2 4.47Å; I785-L787 HydrophobicContact CD1-CD2 4.09Å; I785-L787 HydrophobicContact CD1-CG 4.42Å; I785-L787 HydrophobicContact CG1-CG 4.49Å; I785-L875 HydrophobicContact CD1-CD2 3.79Å
786R92.6Very high81.8Confident121 Ų12181.3 Ų81.346%0.45745%0.453SS..EExtended strand (participates in β ladder)trans-115.4134.3175.6-64.4-172.974-168.7-3110.2V770 M774 I775V770-R786 PolarHBondContact O-NH2 2.66Å; M774-R786 HydrophobicContact CB-CB 4.32Å; M774-R786 HydrophobicContact CE-CB 4.17Å; M774-R786 PolarHBondContact O-NH2 3.29Å; M774-R786 HydrophobicContact SD-CB 4.17Å; I775-R786 VanDerWaalsContact O-CA 3.29Å; I775-R786 WeakPolarHBondContact O-CA 3.23Å
787L95.3Very high81.2Confident0 Ų080 Ų800%044%0.444CS..EExtended strand (participates in β ladder)trans-128.3147.9-176.8-58.6174.2000110.4M774 I775 F777 I785 V830 I871 L875 F876 I887M774-L787 CarbonylContact C-O 3.49Å; M774-L787 VanDerWaalsContact CA-O 3.26Å; M774-L787 WeakPolarHBondContact CA-O 3.07Å; I775-L787 WeakPolarHBondContact CG1-O 3.48Å; I775-L787 PolarHBondContact N-O 3.25Å; I775-L787 PolarHBondContact O-N 3.27Å; F777-L787 HydrophobicContact CB-CD1 3.51Å; F777-L787 HydrophobicContact CB-CG 3.98Å; F777-L787 HydrophobicContact CD1-CD1 3.93Å; F777-L787 HydrophobicContact CD2-CD1 3.96Å; F777-L787 HydrophobicContact CG-CD1 3.52Å; F777-L787 HydrophobicContact CG-CG 4.47Å; I785-L787 HydrophobicContact CD1-CD2 4.09Å; I785-L787 HydrophobicContact CD1-CG 4.42Å; I785-L787 HydrophobicContact CG1-CG 4.49Å; L787-V830 HydrophobicContact CB-CG1 3.69Å; L787-V830 HydrophobicContact CD1-CB 4.48Å; L787-V830 HydrophobicContact CD1-CG1 3.89Å; L787-V830 HydrophobicContact CD1-CG2 4.19Å; L787-V830 HydrophobicContact CG-CG1 4.34Å; L787-I871 HydrophobicContact CD2-CG2 3.56Å; L787-L875 HydrophobicContact CD1-CD2 3.55Å; L787-L875 HydrophobicContact CD2-CD2 3.99Å; L787-L875 HydrophobicContact CG-CD2 4.4Å; L787-F876 HydrophobicContact CD2-CE2 4.09Å; L787-F876 HydrophobicContact CD2-CZ 4.42Å; L787-I887 HydrophobicContact CD1-CD1 4.31Å
788Y96.4Very high80.9Confident22 Ų2282.3 Ų82.39%0.08645%0.453CS..EExtended strand (participates in β ladder)trans-81.6141.1177.8-63.5-82.9000111.7W769 R773 M774 N835 M838W769-Y788 HydrophobicContact CB-CD1 4.26Å; W769-Y788 HydrophobicContact CB-CE1 3.97Å; R773-Y788 WeakPolarHBondContact O-CA 3.31Å; M774-Y788 HydrophobicContact CG-CD1 3.45Å; M774-Y788 VanDerWaalsContact CG-CD1 3.45Å; M774-Y788 HydrophobicContact CG-CD2 4.5Å; M774-Y788 HydrophobicContact CG-CE1 3.27Å; M774-Y788 HydrophobicContact CG-CE2 4.37Å; M774-Y788 HydrophobicContact CG-CG 4.09Å; M774-Y788 HydrophobicContact SD-CD1 4.39Å; M774-Y788 HydrophobicContact SD-CE1 3.74Å; M774-Y788 HydrophobicContact SD-CE2 4.14Å; M774-Y788 VanDerWaalsContact SD-CZ 3.6Å; Y788-N835 PolarHBondContact N-OD1 3.43Å; Y788-N835 PolarHBondContact O-ND2 3.05Å; Y788-M838 HydrophobicContact CD1-CG 3.93Å; Y788-M838 HydrophobicContact CD2-CB 3.7Å; Y788-M838 HydrophobicContact CD2-CG 3.78Å; Y788-M838 HydrophobicContact CE1-CB 4.48Å; Y788-M838 HydrophobicContact CE1-CE 3.8Å; Y788-M838 HydrophobicContact CE1-CG 4.01Å; Y788-M838 HydrophobicContact CE2-CB 3.52Å; Y788-M838 HydrophobicContact CE2-CG 3.87Å; Y788-M838 HydrophobicContact CG-CB 4.27Å; Y788-M838 HydrophobicContact CG-CG 3.81Å
789Q94.3Very high81Confident11 Ų1175.3 Ų75.35%0.05142%0.423CS..  trans-137.5143.4177177.6176.874.300111.9R773 I775 K791 T827 L829 L834R773-Q789 PolarHBondContact O-N 2.65Å; I775-Q789 HydrophobicContact CD1-CB 4.38Å; Q789-K791 PolarHBondContact O-N 3.5Å; Q789-T827 PolarHBondContact NE2-O 2.9Å; Q789-T827 PolarHBondContact OE1-O 3.4Å; Q789-L829 PolarHBondContact NE2-O 3.39Å; Q789-L834 VanDerWaalsContact C-CD2 3.46Å
790Y92.4Very high81.5Confident46 Ų4674.2 Ų74.218%0.1842%0.416CS..  trans-69.5118.9167-65-59.8000110.6P735 W769 W810 P831 L834P735-Y790 HydrophobicContact CG-CE1 4.32Å; P735-Y790 WeakPolarHBondContact CG-OH 3.32Å; W769-Y790 HydrophobicContact CH2-CD1 4.37Å; W769-Y790 HydrophobicContact CH2-CE1 4.31Å; W769-Y790 HydrophobicContact CZ3-CD1 4.43Å; Y790-W810 HydrophobicContact CD2-CH2 4.5Å; Y790-P831 HydrophobicContact CD2-CB 4.21Å; Y790-P831 HydrophobicContact CD2-CG 3.62Å; Y790-P831 HydrophobicContact CE2-CB 4.08Å; Y790-P831 HydrophobicContact CE2-CG 3.76Å; Y790-L834 HydrophobicContact CD1-CD2 3.91Å; Y790-L834 HydrophobicContact CD2-CD2 4.44Å; Y790-L834 HydrophobicContact CE1-CB 4.25Å; Y790-L834 HydrophobicContact CE1-CD1 3.81Å; Y790-L834 HydrophobicContact CE1-CD2 3.9Å; Y790-L834 HydrophobicContact CE1-CG 4.19Å; Y790-L834 HydrophobicContact CE2-CB 3.98Å; Y790-L834 HydrophobicContact CE2-CD2 4.42Å; Y790-L834 HydrophobicContact CG-CD2 4.17Å
791K88.3Confident81.9Confident117 Ų11770 Ų7051%0.50937%0.372SS..  trans-141139.4178.5-171.3175.7179.9179.30110.2R773 Q789R773-K791 VanDerWaalsContact CZ-O 3.22Å; R773-K791 PolarHBondContact NE-O 2.8Å; R773-K791 VanDerWaalsContact NE-O 3.1Å; R773-K791 PolarHBondContact NH2-O 3.33Å; Q789-K791 PolarHBondContact O-N 3.5Å
792A83.7Confident81.9Confident48 Ų4864.6 Ų64.640%0.39735%0.345SS..  trans-115.3148.5171.900000109.8R732R732-A792 HydrophobicContact CB-CB 3.87Å
793K75.2Confident81.1Confident136 Ų13666.8 Ų66.859%0.59133%0.333SS*.  trans-88.2107170-69.4-178.1-178.5173.50108.1N731 E772N731-K793 VanDerWaalsContact CB-O 3.25Å; N731-K793 WeakPolarHBondContact CB-O 3.5Å; N731-K793 PolarHBondContact ND2-O 3.13Å; N731-K793 PolarHBondContact O-N 3.17Å; E772-K793 WeakPolarHBondContact OE2-CE 3.33Å; E772-K793 IonicContact OE2-NZ 3.16Å; E772-K793 PolarHBondContact OE2-NZ 3.12Å
794G68.8Low80.5Confident66 Ų6668.2 Ų68.268%0.6833%0.333SS*.  trans167.6143.8175.700000113.2
795D69.6Low79.4Confident150 Ų15066.2 Ų66.280%0.80232%0.316SS*.SBendtrans-117.214.8177.363.5-20.3000111.9
796R71.5Confident78.7Confident125 Ų12566.1 Ų66.147%0.47231%0.314SS..SBendtrans-118.9156.8-175-57.4-176.7-174.9179.5-4.4111.4T487 H550T487-R796 PolarHBondContact O-NH2 2.81Å; H550-R796 PolarHBondContact CD2-NH1 3.06Å
797P77.9Confident78.1Confident66 Ų6660.7 Ų60.743%0.42930%0.295SS..  trans-53.5147.8168-23.834.3000111.2A799 Y802P797-A799 PolarHBondContact O-N 2.88Å; P797-Y802 HydrophobicContact CB-CD1 4.28Å; P797-Y802 HydrophobicContact CB-CD2 4.03Å; P797-Y802 HydrophobicContact CB-CE1 4.05Å; P797-Y802 HydrophobicContact CB-CE2 3.82Å; P797-Y802 HydrophobicContact CB-CG 4.27Å; P797-Y802 HydrophobicContact CG-CE1 4.03Å; P797-Y802 HydrophobicContact CG-CE2 4.33Å
798R83.7Confident77.7Confident57 Ų5760.8 Ų60.822%0.21530%0.296CS..  trans-68.4133175.9-65.9176.8-59.4153.5-4.4109.3E800 S801 Y802 R803 D805 E1017R798-E800 VanDerWaalsContact C-N 3.32Å; R798-E800 IonicContact CZ-OE1 2.81Å; R798-E800 IonicContact NE-OE1 3.39Å; R798-E800 IonicContact NH1-OE1 2.94Å; R798-E800 PolarHBondContact NH1-OE1 3.45Å; R798-E800 PolarHBondContact O-N 3.43Å; R798-S801 CarbonylContact O-C 3.43Å; R798-S801 PolarHBondContact O-N 2.96Å; R798-Y802 PolarHBondContact O-N 3Å; R798-R803 PolarHBondContact NH2-O 3.12Å; R798-D805 IonicContact CZ-OD1 3.58Å; R798-D805 IonicContact NH1-OD1 3.03Å; R798-D805 PolarHBondContact NH1-OD1 3.32Å; R798-D805 IonicContact NH1-OD2 2.76Å; R798-D805 IonicContact NH2-OD1 2.69Å; R798-D805 PolarHBondContact NH2-OD1 2.75Å; R798-E1017 IonicContact NH2-OE2 3.25Å; R798-E1017 PolarHBondContact NH2-OE2 3.29Å
799A84.5Confident77.5Confident5 Ų560.7 Ų60.74%0.04130%0.295CS..SBendtrans-66.2-36.4-174.700000112.3F548 L554 Q558 V570 P797 S801F548-A799 WeakPolarHBondContact O-CB 3.45Å; L554-A799 HydrophobicContact CD2-CB 3.86Å; Q558-A799 PolarHBondContact NE2-O 3.05Å; V570-A799 HydrophobicContact CG1-CB 4Å; V570-A799 WeakPolarHBondContact CG1-O 3.25Å; P797-A799 PolarHBondContact O-N 2.88Å; A799-S801 VanDerWaalsContact C-N 3.28Å; A799-S801 PolarHBondContact O-N 2.96Å
800E86.3Confident77.4Confident8 Ų861.9 Ų61.94%0.03730%0.299CS..SBendtrans-77.4-17.117882.1-66170.700113.7S566 K567 V570 Y728 F729 R732 R798S566-E800 CarbonylContact C-O 3.52Å; S566-E800 WeakPolarHBondContact CB-O 3.32Å; K567-E800 WeakPolarHBondContact CA-O 3.39Å; K567-E800 HydrophobicContact CB-CB 4.18Å; K567-E800 WeakPolarHBondContact CB-O 3.27Å; K567-E800 HydrophobicContact CD-CB 4.45Å; K567-E800 HydrophobicContact CG-CB 4.04Å; K567-E800 PolarHBondContact N-O 2.92Å; V570-E800 HydrophobicContact CG2-CB 3.96Å; Y728-E800 HydrophobicContact CD2-CB 4.14Å; Y728-E800 HydrophobicContact CE2-CB 3.72Å; Y728-E800 HydrophobicContact CE2-CG 4.24Å; F729-E800 HydrophobicContact CE1-CG 4.11Å; F729-E800 HydrophobicContact CZ-CG 4.25Å; R732-E800 IonicContact CZ-OE1 3.73Å; R732-E800 IonicContact NH2-OE1 3.6Å; R732-E800 PolarHBondContact NH2-OE1 2.85Å; R732-E800 IonicContact NH2-OE2 2.68Å; R732-E800 PolarHBondContact NH2-OE2 3.48Å; R798-E800 VanDerWaalsContact C-N 3.32Å; R798-E800 IonicContact CZ-OE1 2.81Å; R798-E800 IonicContact NE-OE1 3.39Å; R798-E800 IonicContact NH1-OE1 2.94Å; R798-E800 PolarHBondContact NH1-OE1 3.45Å; R798-E800 PolarHBondContact O-N 3.43Å
801S79.4Confident77.2Confident6 Ų660.3 Ų60.34%0.04229%0.294CS..  trans-147.573.7-170.7-65.30000108.1R798 A799 R803 E1017R798-S801 CarbonylContact O-C 3.43Å; R798-S801 PolarHBondContact O-N 2.96Å; A799-S801 VanDerWaalsContact C-N 3.28Å; A799-S801 PolarHBondContact O-N 2.96Å; S801-R803 CarbonylContact C-O 3.59Å; S801-R803 VanDerWaalsContact CB-O 3.29Å; S801-R803 WeakPolarHBondContact CB-O 3.19Å; S801-R803 PolarHBondContact O-N 2.7Å; S801-E1017 WeakPolarHBondContact CB-OE1 3.31Å; S801-E1017 VanDerWaalsContact CB-OE2 3.24Å; S801-E1017 WeakPolarHBondContact CB-OE2 3.35Å; S801-E1017 VanDerWaalsContact OG-CD 3.24Å; S801-E1017 PolarHBondContact OG-OE1 2.82Å; S801-E1017 PolarHBondContact OG-OE2 3.16Å
802Y67.4Low77Confident63 Ų6355 Ų5525%0.24727%0.272CS..SBendtrans-67-8.3167.1-122.4-94.4000111.5D555 Q558 P797 R798D555-Y802 PolarHBondContact OD1-OH 3.42Å; Q558-Y802 HydrophobicContact CB-CD1 4.23Å; Q558-Y802 HydrophobicContact CB-CD2 3.96Å; Q558-Y802 HydrophobicContact CB-CE2 4.32Å; Q558-Y802 HydrophobicContact CB-CG 3.89Å; Q558-Y802 HydrophobicContact CG-CD2 3.76Å; Q558-Y802 HydrophobicContact CG-CE2 4.24Å; Q558-Y802 HydrophobicContact CG-CG 4.1Å; P797-Y802 HydrophobicContact CB-CD1 4.28Å; P797-Y802 HydrophobicContact CB-CD2 4.03Å; P797-Y802 HydrophobicContact CB-CE1 4.05Å; P797-Y802 HydrophobicContact CB-CE2 3.82Å; P797-Y802 HydrophobicContact CB-CG 4.27Å; P797-Y802 HydrophobicContact CG-CE1 4.03Å; P797-Y802 HydrophobicContact CG-CE2 4.33Å; R798-Y802 PolarHBondContact O-N 3Å
803R52.7Low76.8Confident108 Ų10856.5 Ų56.541%0.40827%0.274SS..SBendtrans-111.1167.6165.8-57.4-177.2-174.2172.36.5107.9R798 S801 E1017R798-R803 PolarHBondContact NH2-O 3.12Å; S801-R803 CarbonylContact C-O 3.59Å; S801-R803 VanDerWaalsContact CB-O 3.29Å; S801-R803 WeakPolarHBondContact CB-O 3.19Å; S801-R803 PolarHBondContact O-N 2.7Å; R803-E1017 VanDerWaalsContact C-OE2 3.25Å
804W59Low76.9Confident160 Ų16054.9 Ų54.961%0.60628%0.275SS*.  trans-112.7134.8-157.1-5596.7000112.4F806 L821 E1017W804-F806 HydrophobicContact CB-CD2 3.9Å; W804-F806 HydrophobicContact CB-CE2 3.66Å; W804-F806 HydrophobicContact CD2-CE2 4.43Å; W804-F806 AromaticContact CE3-CE2 3.81Å; W804-F806 HydrophobicContact CE3-CE2 3.81Å; W804-F806 HydrophobicContact CE3-CZ 4.24Å; W804-F806 HydrophobicContact CG-CE2 4.44Å; W804-L821 HydrophobicContact CB-CD1 4.34Å; W804-L821 HydrophobicContact CB-CD2 3.2Å; W804-L821 HydrophobicContact CB-CG 4.25Å; W804-L821 HydrophobicContact CD2-CD2 4.49Å; W804-L821 HydrophobicContact CG-CD2 3.68Å; W804-E1017 PolarHBondContact N-OE2 3.22Å; W804-E1017 WeakPolarHBondContact O-CB 3.22Å
805D57.3Low77.4Confident34 Ų3454.1 Ų54.118%0.18227%0.267CS..  trans-125.6115.6174.866.1-36.3000114R798 E1017R798-D805 IonicContact CZ-OD1 3.58Å; R798-D805 IonicContact NH1-OD1 3.03Å; R798-D805 PolarHBondContact NH1-OD1 3.32Å; R798-D805 IonicContact NH1-OD2 2.76Å; R798-D805 IonicContact NH2-OD1 2.69Å; R798-D805 PolarHBondContact NH2-OD1 2.75Å; D805-E1017 HydrophobicContact CB-CB 4.24Å; D805-E1017 VanDerWaalsContact CB-CD 3.46Å; D805-E1017 HydrophobicContact CB-CG 3.82Å; D805-E1017 PolarHBondContact N-OE2 3.47Å
806F75.9Confident77.9Confident39 Ų3952.9 Ų52.917%0.17127%0.267CS..  trans-144.9-158.5-170.3-66.3-76.9000114.5W804 F811 L821 I824 E947W804-F806 HydrophobicContact CB-CD2 3.9Å; W804-F806 HydrophobicContact CB-CE2 3.66Å; W804-F806 HydrophobicContact CD2-CE2 4.43Å; W804-F806 AromaticContact CE3-CE2 3.81Å; W804-F806 HydrophobicContact CE3-CE2 3.81Å; W804-F806 HydrophobicContact CE3-CZ 4.24Å; W804-F806 HydrophobicContact CG-CE2 4.44Å; F806-F811 HydrophobicContact CB-CE1 4.04Å; F806-F811 HydrophobicContact CB-CZ 4.42Å; F806-L821 HydrophobicContact CB-CD1 3.81Å; F806-L821 HydrophobicContact CD1-CD1 4.45Å; F806-L821 HydrophobicContact CD2-CD1 3Å; F806-L821 HydrophobicContact CD2-CD2 4.19Å; F806-L821 HydrophobicContact CD2-CG 4.19Å; F806-L821 HydrophobicContact CE2-CD1 3.63Å; F806-L821 HydrophobicContact CG-CD1 3.47Å; F806-L821 VanDerWaalsContact CG-CD1 3.47Å; F806-I824 HydrophobicContact CB-CD1 4.18Å; F806-I824 HydrophobicContact CD1-CD1 2.91Å; F806-I824 HydrophobicContact CD1-CG1 4.39Å; F806-I824 HydrophobicContact CD2-CD1 4.2Å; F806-I824 HydrophobicContact CE1-CD1 3.1Å; F806-I824 HydrophobicContact CE2-CD1 4.35Å; F806-I824 HydrophobicContact CG-CD1 3.48Å; F806-I824 VanDerWaalsContact CG-CD1 3.48Å; F806-I824 HydrophobicContact CZ-CD1 3.84Å; F806-E947 PolarHBondContact N-OE2 3.32Å; F806-E947 WeakPolarHBondContact O-CB 3.24Å
807S81.1Confident78.4Confident8 Ų852.6 Ų52.66%0.05627%0.267CS..  trans-152.8148.6-179.81760000108.3R809 W810 F811 D950S807-R809 PolarHBondContact O-N 3.46Å; S807-R809 WeakPolarHBondContact OG-CB 3.5Å; S807-R809 PolarHBondContact OG-N 3Å; S807-W810 PolarHBondContact O-N 2.76Å; S807-W810 VanDerWaalsContact O-N 3.13Å; S807-F811 WeakPolarHBondContact O-CD1 3.46Å; S807-F811 VanDerWaalsContact O-CE1 3.23Å; S807-F811 WeakPolarHBondContact O-CE1 3.3Å; S807-D950 PolarHBondContact OG-OD1 3.19Å
808S87.2Confident78.7Confident1 Ų157 Ų571%0.00728%0.275CS..G310 helixtrans-56.1-21.8171.277.80000113.7W810 F811 Y899 S941 M943 D950S808-W810 PolarHBondContact O-N 3.4Å; S808-W810 VanDerWaalsContact O-N 3.12Å; S808-F811 VanDerWaalsContact CA-CD2 3.47Å; S808-F811 PolarHBondContact O-N 2.83Å; S808-F811 VanDerWaalsContact O-N 3.17Å; S808-Y899 VanDerWaalsContact C-OH 3.27Å; S808-Y899 PolarHBondContact O-OH 3.41Å; S808-Y899 WeakPolarHBondContact OG-CE1 3.39Å; S808-Y899 PolarHBondContact OG-OH 3.03Å; S808-S941 PolarHBondContact OG-OG 3.33Å; S808-M943 PolarHBondContact OG-SD 2.89Å; S808-M943 VanDerWaalsContact OG-SD 3.35Å; S808-D950 VanDerWaalsContact CB-OD2 3.27Å; S808-D950 WeakPolarHBondContact CB-OD2 3.42Å; S808-D950 PolarHBondContact N-OD1 3.02Å; S808-D950 PolarHBondContact N-OD2 3.15Å; S808-D950 PolarHBondContact OG-OD1 2.97Å
809R91.8Very high78.7Confident20 Ų2056.7 Ų56.78%0.07528%0.278CS..G310 helixtrans-51.7-32174.5-171.3175.6174.9-156.6-2.9113.3S807 L829 D833 D886 Y899 S901S807-R809 PolarHBondContact O-N 3.46Å; S807-R809 WeakPolarHBondContact OG-CB 3.5Å; S807-R809 PolarHBondContact OG-N 3Å; R809-L829 WeakPolarHBondContact O-CD1 3.41Å; R809-D833 IonicContact CZ-OD1 3.76Å; R809-D833 IonicContact CZ-OD2 2.65Å; R809-D833 VanDerWaalsContact NH1-CG 3.33Å; R809-D833 IonicContact NH1-OD1 3.37Å; R809-D833 PolarHBondContact NH1-OD1 2.93Å; R809-D833 IonicContact NH1-OD2 3.82Å; R809-D833 PolarHBondContact NH1-OD2 3.21Å; R809-D833 VanDerWaalsContact NH2-CG 3.34Å; R809-D833 IonicContact NH2-OD1 3.67Å; R809-D833 PolarHBondContact NH2-OD1 3.25Å; R809-D833 IonicContact NH2-OD2 2.85Å; R809-D886 IonicContact CZ-OD1 3.1Å; R809-D886 IonicContact CZ-OD2 2.65Å; R809-D886 IonicContact NE-OD1 3.73Å; R809-D886 IonicContact NE-OD2 3.75Å; R809-D886 PolarHBondContact NE-OD2 3.38Å; R809-D886 IonicContact NH2-OD1 2.99Å; R809-D886 PolarHBondContact NH2-OD1 3.25Å; R809-D886 IonicContact NH2-OD2 2.82Å; R809-D886 PolarHBondContact NH2-OD2 2.73Å; R809-Y899 VanDerWaalsContact CA-OH 3.3Å; R809-Y899 WeakPolarHBondContact CA-OH 3.34Å; R809-Y899 HydrophobicContact CB-CD1 3.94Å; R809-Y899 HydrophobicContact CB-CD2 4.39Å; R809-Y899 HydrophobicContact CB-CE1 3.69Å; R809-Y899 HydrophobicContact CB-CE2 4.14Å; R809-Y899 HydrophobicContact CB-CG 4.3Å; R809-Y899 HydrophobicContact CG-CD1 4.26Å; R809-Y899 HydrophobicContact CG-CD2 3.97Å; R809-Y899 HydrophobicContact CG-CE1 4.32Å; R809-Y899 HydrophobicContact CG-CE2 4.01Å; R809-Y899 HydrophobicContact CG-CG 4.1Å; R809-Y899 PolarHBondContact N-OH 2.93Å; R809-S901 VanDerWaalsContact CZ-OG 3.26Å; R809-S901 PolarHBondContact NE-OG 3.17Å; R809-S901 PolarHBondContact NH1-OG 2.87Å
810W91.2Very high78.8Confident36 Ų3659.1 Ų59.114%0.13629%0.292CS..G310 helixtrans-101.6-1-174.1-47.5121.7000114.2Y790 S807 S808 I824 R825 T826 L829 P831Y790-W810 HydrophobicContact CD2-CH2 4.5Å; S807-W810 PolarHBondContact O-N 2.76Å; S807-W810 VanDerWaalsContact O-N 3.13Å; S808-W810 PolarHBondContact O-N 3.4Å; S808-W810 VanDerWaalsContact O-N 3.12Å; W810-I824 HydrophobicContact CB-CD1 4.19Å; W810-I824 HydrophobicContact CB-CG1 3.85Å; W810-I824 WeakPolarHBondContact O-CA 3.44Å; W810-R825 VanDerWaalsContact O-CG 3.3Å; W810-R825 WeakPolarHBondContact O-CG 3.41Å; W810-R825 PolarHBondContact O-N 2.67Å; W810-T826 HydrophobicContact CD2-CG2 3.87Å; W810-T826 HydrophobicContact CE3-CG2 3.88Å; W810-T826 HydrophobicContact CG-CG2 4.29Å; W810-T826 HydrophobicContact CZ3-CG2 4.28Å; W810-L829 HydrophobicContact CE3-CB 4.38Å; W810-L829 HydrophobicContact CE3-CD1 3.68Å; W810-L829 HydrophobicContact CZ3-CB 4.32Å; W810-L829 HydrophobicContact CZ3-CD1 4.3Å; W810-P831 HydrophobicContact CH2-CB 3.87Å; W810-P831 HydrophobicContact CZ3-CB 4.13Å
811F89.2Confident78.6Confident14 Ų1460.3 Ų60.36%0.06130%0.299CS..BIsolated β-bridgetrans-83.1137.8-173.6-60.5-11.6000111.1F806 S807 S808 D819 T820 L821 I824 E947F806-F811 HydrophobicContact CB-CE1 4.04Å; F806-F811 HydrophobicContact CB-CZ 4.42Å; S807-F811 WeakPolarHBondContact O-CD1 3.46Å; S807-F811 VanDerWaalsContact O-CE1 3.23Å; S807-F811 WeakPolarHBondContact O-CE1 3.3Å; S808-F811 VanDerWaalsContact CA-CD2 3.47Å; S808-F811 PolarHBondContact O-N 2.83Å; S808-F811 VanDerWaalsContact O-N 3.17Å; F811-D819 VanDerWaalsContact CD2-O 3.31Å; F811-D819 WeakPolarHBondContact CD2-O 3.3Å; F811-T820 WeakPolarHBondContact CD1-O 3.49Å; F811-T820 VanDerWaalsContact CD2-C 3.48Å; F811-T820 WeakPolarHBondContact CG-O 3.35Å; F811-L821 VanDerWaalsContact CE1-CA 3.43Å; F811-L821 HydrophobicContact CE1-CB 4.1Å; F811-L821 HydrophobicContact CE1-CD1 4.19Å; F811-L821 HydrophobicContact CZ-CB 3.96Å; F811-I824 HydrophobicContact CD1-CB 4.45Å; F811-E947 HydrophobicContact CE2-CG 4.18Å; F811-E947 HydrophobicContact CZ-CG 3.72Å
812G84.2Confident78.9Confident6 Ų669.2 Ų69.26%0.06233%0.331CS..  trans-62.1138.8166.600000110.7R818 D819 A823G812-R818 CarbonylContact O-C 3.28Å; G812-R818 VanDerWaalsContact O-CA 3.24Å; G812-R818 WeakPolarHBondContact O-CA 2.95Å; G812-D819 PolarHBondContact O-N 3.24Å; G812-A823 PolarHBondContact N-O 3.34Å
813N79.6Confident79.8Confident79 Ų7967.2 Ų67.242%0.42233%0.328SS..SBendtrans-95.95.2-179.361.11.9000113.1
814T77.2Confident81.5Confident102 Ų10264.6 Ų64.663%0.62632%0.322SS*.SBendtrans-123.5161.318057.50000111.9
815G79.6Confident83.1Confident50 Ų5058.9 Ų58.952%0.51530%0.3SS..SBendtrans81.8179.9178.700000114.7Y817 R818G815-Y817 PolarHBondContact O-N 3.01Å; G815-R818 WeakPolarHBondContact O-CB 3.23Å; G815-R818 PolarHBondContact O-N 3.15Å
816P78.1Confident84.6Confident124 Ų12458.9 Ų58.981%0.80530%0.301SS*.THydrogen-bonded Turntrans-70.9-19.2-172.828-34.9000113.7
817Y83.3Confident85.3Confident118 Ų11860.5 Ų60.546%0.46332%0.315SS..THydrogen-bonded Turntrans-105.917.8178.6-56-63.3000112.6G815 T820 R822 A823G815-Y817 PolarHBondContact O-N 3.01Å; Y817-T820 WeakPolarHBondContact O-CB 3.41Å; Y817-T820 PolarHBondContact O-N 2.9Å; Y817-T820 VanDerWaalsContact O-N 3.17Å; Y817-T820 PolarHBondContact O-OG1 2.85Å; Y817-R822 HydrophobicContact CD1-CB 4.21Å; Y817-R822 HydrophobicContact CG-CB 3.98Å; Y817-A823 WeakPolarHBondContact O-CB 3.25Å
818R84.7Confident85.8Confident160 Ų16066.1 Ų66.160%0.60433%0.334SS*.THydrogen-bonded Turntrans-53.6144.5-178.368.7179.1-177.1-170.5-1.3111.8G812 G815 T820G812-R818 CarbonylContact O-C 3.28Å; G812-R818 VanDerWaalsContact O-CA 3.24Å; G812-R818 WeakPolarHBondContact O-CA 2.95Å; G815-R818 WeakPolarHBondContact O-CB 3.23Å; G815-R818 PolarHBondContact O-N 3.15Å; R818-T820 PolarHBondContact O-N 3.44Å; R818-T820 VanDerWaalsContact O-N 3.1Å
819D83.8Confident86.1Confident49 Ų4966.4 Ų66.426%0.26234%0.336SS..THydrogen-bonded Turntrans55.725.4179.8-56.7-47.7000113.2F811 G812 R897 M943F811-D819 VanDerWaalsContact CD2-O 3.31Å; F811-D819 WeakPolarHBondContact CD2-O 3.3Å; G812-D819 PolarHBondContact O-N 3.24Å; D819-R897 IonicContact OD1-CZ 3.55Å; D819-R897 VanDerWaalsContact OD1-CZ 3.23Å; D819-R897 IonicContact OD1-NH1 3.51Å; D819-R897 PolarHBondContact OD1-NH1 3.04Å; D819-R897 IonicContact OD1-NH2 2.7Å; D819-R897 PolarHBondContact OD1-NH2 2.67Å; D819-R897 IonicContact OD2-NH2 3.97Å; D819-R897 PolarHBondContact OD2-NH2 3.49Å; D819-M943 HydrophobicContact CB-CE 4.02Å
820T85.3Confident86.2Confident56 Ų5665.4 Ų65.434%0.34433%0.332SS..SBendtrans-122160.7170.578.20000110.8F811 Y817 R818 R822 A823F811-T820 WeakPolarHBondContact CD1-O 3.49Å; F811-T820 VanDerWaalsContact CD2-C 3.48Å; F811-T820 WeakPolarHBondContact CG-O 3.35Å; Y817-T820 WeakPolarHBondContact O-CB 3.41Å; Y817-T820 PolarHBondContact O-N 2.9Å; Y817-T820 VanDerWaalsContact O-N 3.17Å; Y817-T820 PolarHBondContact O-OG1 2.85Å; R818-T820 PolarHBondContact O-N 3.44Å; R818-T820 VanDerWaalsContact O-N 3.1Å; T820-R822 PolarHBondContact O-N 2.92Å; T820-R822 VanDerWaalsContact O-N 3.15Å; T820-R822 PolarHBondContact OG1-N 2.94Å; T820-A823 PolarHBondContact O-N 3.02Å
821L83.5Confident86.5Confident34 Ų3463.8 Ų63.818%0.17833%0.326CS..G310 helixtrans-53.5-31.8173173.258.6000114.3W804 F806 F811 A823 I824W804-L821 HydrophobicContact CB-CD1 4.34Å; W804-L821 HydrophobicContact CB-CD2 3.2Å; W804-L821 HydrophobicContact CB-CG 4.25Å; W804-L821 HydrophobicContact CD2-CD2 4.49Å; W804-L821 HydrophobicContact CG-CD2 3.68Å; F806-L821 HydrophobicContact CB-CD1 3.81Å; F806-L821 HydrophobicContact CD1-CD1 4.45Å; F806-L821 HydrophobicContact CD2-CD1 3Å; F806-L821 HydrophobicContact CD2-CD2 4.19Å; F806-L821 HydrophobicContact CD2-CG 4.19Å; F806-L821 HydrophobicContact CE2-CD1 3.63Å; F806-L821 HydrophobicContact CG-CD1 3.47Å; F806-L821 VanDerWaalsContact CG-CD1 3.47Å; F811-L821 VanDerWaalsContact CE1-CA 3.43Å; F811-L821 HydrophobicContact CE1-CB 4.1Å; F811-L821 HydrophobicContact CE1-CD1 4.19Å; F811-L821 HydrophobicContact CZ-CB 3.96Å; L821-A823 PolarHBondContact O-N 2.92Å; L821-A823 VanDerWaalsContact O-N 3.16Å; L821-I824 HydrophobicContact CD1-CB 4.31Å; L821-I824 HydrophobicContact CD1-CD1 4.25Å; L821-I824 HydrophobicContact CD1-CG2 4.38Å; L821-I824 VanDerWaalsContact O-CB 3.29Å; L821-I824 WeakPolarHBondContact O-CB 3.3Å; L821-I824 VanDerWaalsContact O-CG2 3.27Å; L821-I824 WeakPolarHBondContact O-CG2 3.29Å; L821-I824 PolarHBondContact O-N 3.38Å
822R84.6Confident86.9Confident192 Ų19263.1 Ų63.173%0.72532%0.323SS*.G310 helixtrans-64.5-19.4176.9-73.3-175.7178.2-152.20.1113.2Y817 T820Y817-R822 HydrophobicContact CD1-CB 4.21Å; Y817-R822 HydrophobicContact CG-CB 3.98Å; T820-R822 PolarHBondContact O-N 2.92Å; T820-R822 VanDerWaalsContact O-N 3.15Å; T820-R822 PolarHBondContact OG1-N 2.94Å
823A87.4Confident87.5Confident22 Ų2263.8 Ų63.818%0.18233%0.325CS..G310 helixtrans-98.217.5175.300000112.8G812 Y817 T820 L821 R825G812-A823 PolarHBondContact N-O 3.34Å; Y817-A823 WeakPolarHBondContact O-CB 3.25Å; T820-A823 PolarHBondContact O-N 3.02Å; L821-A823 PolarHBondContact O-N 2.92Å; L821-A823 VanDerWaalsContact O-N 3.16Å; A823-R825 PolarHBondContact O-N 3.32Å
824I88.3Confident88.3Confident53 Ų5360 Ų6027%0.27231%0.305SS..BIsolated β-bridgetrans-60.1135.7-179.3-169.7167.1000112.7F806 W810 F811 L821F806-I824 HydrophobicContact CB-CD1 4.18Å; F806-I824 HydrophobicContact CD1-CD1 2.91Å; F806-I824 HydrophobicContact CD1-CG1 4.39Å; F806-I824 HydrophobicContact CD2-CD1 4.2Å; F806-I824 HydrophobicContact CE1-CD1 3.1Å; F806-I824 HydrophobicContact CE2-CD1 4.35Å; F806-I824 HydrophobicContact CG-CD1 3.48Å; F806-I824 VanDerWaalsContact CG-CD1 3.48Å; F806-I824 HydrophobicContact CZ-CD1 3.84Å; W810-I824 HydrophobicContact CB-CD1 4.19Å; W810-I824 HydrophobicContact CB-CG1 3.85Å; W810-I824 WeakPolarHBondContact O-CA 3.44Å; F811-I824 HydrophobicContact CD1-CB 4.45Å; L821-I824 HydrophobicContact CD1-CB 4.31Å; L821-I824 HydrophobicContact CD1-CD1 4.25Å; L821-I824 HydrophobicContact CD1-CG2 4.38Å; L821-I824 VanDerWaalsContact O-CB 3.29Å; L821-I824 WeakPolarHBondContact O-CB 3.3Å; L821-I824 VanDerWaalsContact O-CG2 3.27Å; L821-I824 WeakPolarHBondContact O-CG2 3.29Å; L821-I824 PolarHBondContact O-N 3.38Å
825R90.9Very high89.3Confident39 Ų3955.6 Ų55.615%0.14728%0.278CS..  trans-150.144.2-173.553.5174.4-81.2165.5-3.3112.5W810 A823 T827 R828 D888 D890W810-R825 VanDerWaalsContact O-CG 3.3Å; W810-R825 WeakPolarHBondContact O-CG 3.41Å; W810-R825 PolarHBondContact O-N 2.67Å; A823-R825 PolarHBondContact O-N 3.32Å; R825-T827 PolarHBondContact O-N 3.08Å; R825-T827 VanDerWaalsContact O-N 3.16Å; R825-R828 HydrophobicContact CB-CB 4.08Å; R825-R828 HydrophobicContact CB-CG 4.02Å; R825-R828 PolarHBondContact NH2-O 2.95Å; R825-R828 WeakPolarHBondContact O-CA 3.1Å; R825-R828 WeakPolarHBondContact O-CB 3.17Å; R825-R828 PolarHBondContact O-N 3.48Å; R825-D888 IonicContact CZ-OD1 3.56Å; R825-D888 IonicContact CZ-OD2 3.02Å; R825-D888 IonicContact NH1-OD2 2.88Å; R825-D888 IonicContact NH2-OD1 3.83Å; R825-D888 PolarHBondContact NH2-OD1 3.32Å; R825-D888 IonicContact NH2-OD2 3.66Å; R825-D888 PolarHBondContact NH2-OD2 2.76Å; R825-D890 IonicContact CZ-OD2 3.81Å; R825-D890 IonicContact NH1-OD2 2.72Å; R825-D890 PolarHBondContact NH1-OD2 3.45Å; R825-D890 VanDerWaalsContact NH2-CG 3.33Å; R825-D890 IonicContact NH2-OD2 3.18Å; R825-D890 PolarHBondContact NH2-OD2 3.45Å
826T90.1Very high90.2Very high35 Ų3553.2 Ų53.222%0.21525%0.253CS..G310 helixtrans-52-39.3-177.7-45.30000113.1W810 R828 L829W810-T826 HydrophobicContact CD2-CG2 3.87Å; W810-T826 HydrophobicContact CE3-CG2 3.88Å; W810-T826 HydrophobicContact CG-CG2 4.29Å; W810-T826 HydrophobicContact CZ3-CG2 4.28Å; T826-R828 PolarHBondContact O-N 3.33Å; T826-L829 PolarHBondContact O-N 3.5Å
827T89.8Confident91.1Very high73 Ų7347.6 Ų47.645%0.44822%0.216SC..G310 helixtrans-77.43.4177.1550000114.1Q789 R825Q789-T827 PolarHBondContact NE2-O 2.9Å; Q789-T827 PolarHBondContact OE1-O 3.4Å; R825-T827 PolarHBondContact O-N 3.08Å; R825-T827 VanDerWaalsContact O-N 3.16Å
828R92.1Very high91.8Very high126 Ų12642 Ų4248%0.47519%0.194SC..G310 helixtrans-109.510.7171.1-49.5-61.7-77.6-170-9111.9R825 T826 L889 D890R825-R828 HydrophobicContact CB-CB 4.08Å; R825-R828 HydrophobicContact CB-CG 4.02Å; R825-R828 PolarHBondContact NH2-O 2.95Å; R825-R828 WeakPolarHBondContact O-CA 3.1Å; R825-R828 WeakPolarHBondContact O-CB 3.17Å; R825-R828 PolarHBondContact O-N 3.48Å; T826-R828 PolarHBondContact O-N 3.33Å; R828-L889 WeakPolarHBondContact O-CB 3.4Å; R828-L889 PolarHBondContact O-N 2.91Å; R828-D890 IonicContact CZ-OD1 2.81Å; R828-D890 IonicContact NE-OD1 3.08Å; R828-D890 PolarHBondContact NE-OD1 2.8Å; R828-D890 IonicContact NH2-OD1 3.34Å; R828-D890 PolarHBondContact NH2-OD1 2.94Å
829L92.7Very high92.5Very high6 Ų634.6 Ų34.63%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-121.9141.9176.1-68.9164000109.3Q789 R809 W810 T826 P831 I887 D888 V895Q789-L829 PolarHBondContact NE2-O 3.39Å; R809-L829 WeakPolarHBondContact O-CD1 3.41Å; W810-L829 HydrophobicContact CE3-CB 4.38Å; W810-L829 HydrophobicContact CE3-CD1 3.68Å; W810-L829 HydrophobicContact CZ3-CB 4.32Å; W810-L829 HydrophobicContact CZ3-CD1 4.3Å; T826-L829 PolarHBondContact O-N 3.5Å; L829-P831 WeakPolarHBondContact O-CD 3.41Å; L829-I887 CarbonylContact C-O 3.56Å; L829-I887 WeakPolarHBondContact CA-O 3.26Å; L829-D888 HydrophobicContact CD2-CB 4.16Å; L829-V895 HydrophobicContact CD2-CG2 3.79Å
830V95.4Very high93.1Very high0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-101108.8168.2-172.90000107.5I775 L787 N835 F876 D886 I887 L889I775-V830 HydrophobicContact CD1-CG2 4.25Å; L787-V830 HydrophobicContact CB-CG1 3.69Å; L787-V830 HydrophobicContact CD1-CB 4.48Å; L787-V830 HydrophobicContact CD1-CG1 3.89Å; L787-V830 HydrophobicContact CD1-CG2 4.19Å; L787-V830 HydrophobicContact CG-CG1 4.34Å; V830-N835 WeakPolarHBondContact CG1-ND2 3.4Å; V830-F876 HydrophobicContact CG1-CE1 4.12Å; V830-F876 HydrophobicContact CG1-CZ 3.7Å; V830-D886 WeakPolarHBondContact O-CA 3.37Å; V830-I887 HydrophobicContact CB-CB 4.13Å; V830-I887 HydrophobicContact CB-CD1 4.47Å; V830-I887 HydrophobicContact CG2-CB 4.49Å; V830-I887 PolarHBondContact N-O 2.68Å; V830-I887 PolarHBondContact O-N 3.13Å; V830-L889 HydrophobicContact CG2-CD1 4.21Å; V830-L889 HydrophobicContact CG2-CD2 3.48Å; V830-L889 VanDerWaalsContact CG2-CD2 3.48Å; V830-L889 HydrophobicContact CG2-CG 3.83Å
831P96.4Very high93.7Very high1 Ų130.3 Ų30.31%0.00614%0.142CC..  trans-83.9130.2-169.332.5-34.1000111.9Y790 W810 L829 D833 L834 N835 D886Y790-P831 HydrophobicContact CD2-CB 4.21Å; Y790-P831 HydrophobicContact CD2-CG 3.62Å; Y790-P831 HydrophobicContact CE2-CB 4.08Å; Y790-P831 HydrophobicContact CE2-CG 3.76Å; W810-P831 HydrophobicContact CH2-CB 3.87Å; W810-P831 HydrophobicContact CZ3-CB 4.13Å; L829-P831 WeakPolarHBondContact O-CD 3.41Å; P831-D833 WeakPolarHBondContact CB-OD1 3.35Å; P831-D833 PolarHBondContact O-N 2.87Å; P831-L834 HydrophobicContact CG-CB 3.85Å; P831-L834 HydrophobicContact CG-CD2 4.25Å; P831-L834 PolarHBondContact O-N 2.78Å; P831-N835 PolarHBondContact O-N 3.32Å; P831-N835 PolarHBondContact O-ND2 3.38Å; P831-D886 VanDerWaalsContact CA-OD1 3.28Å; P831-D886 WeakPolarHBondContact CA-OD1 3.44Å
832V97.4Very high94.4Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-62.1-40.4-176.766.20000112.6N835 A836 F876 W884 D886 P905V832-N835 PolarHBondContact O-N 3.26Å; V832-A836 VanDerWaalsContact O-CB 3.27Å; V832-A836 WeakPolarHBondContact O-CB 3.42Å; V832-A836 PolarHBondContact O-N 3.31Å; V832-F876 HydrophobicContact CB-CD1 3.8Å; V832-F876 HydrophobicContact CB-CE1 4.27Å; V832-F876 HydrophobicContact CG2-CB 4.28Å; V832-F876 HydrophobicContact CG2-CD1 3.84Å; V832-F876 HydrophobicContact CG2-CG 4.36Å; V832-W884 HydrophobicContact CG2-CB 3.54Å; V832-W884 HydrophobicContact CG2-CG 4.42Å; V832-D886 WeakPolarHBondContact CG1-OD1 3.49Å; V832-D886 PolarHBondContact N-OD1 2.91Å; V832-P905 HydrophobicContact CG2-CG 3.65Å
833D96.8Very high95Very high20 Ų2021.8 Ų21.811%0.10711%0.108CC..Hα-helixtrans-64.4-46.3-179.955-13.1000112.3R809 P831 N835 A836 I837 V904R809-D833 IonicContact CZ-OD1 3.76Å; R809-D833 IonicContact CZ-OD2 2.65Å; R809-D833 VanDerWaalsContact NH1-CG 3.33Å; R809-D833 IonicContact NH1-OD1 3.37Å; R809-D833 PolarHBondContact NH1-OD1 2.93Å; R809-D833 IonicContact NH1-OD2 3.82Å; R809-D833 PolarHBondContact NH1-OD2 3.21Å; R809-D833 VanDerWaalsContact NH2-CG 3.34Å; R809-D833 IonicContact NH2-OD1 3.67Å; R809-D833 PolarHBondContact NH2-OD1 3.25Å; R809-D833 IonicContact NH2-OD2 2.85Å; P831-D833 WeakPolarHBondContact CB-OD1 3.35Å; P831-D833 PolarHBondContact O-N 2.87Å; D833-N835 VanDerWaalsContact C-N 3.34Å; D833-N835 PolarHBondContact O-N 2.84Å; D833-A836 PolarHBondContact O-N 2.97Å; D833-I837 WeakPolarHBondContact O-CB 3.48Å; D833-I837 WeakPolarHBondContact O-CD1 3.25Å; D833-I837 WeakPolarHBondContact O-CG1 3.3Å; D833-I837 PolarHBondContact O-N 2.96Å; D833-V904 HydrophobicContact CB-CB 4.02Å; D833-V904 HydrophobicContact CB-CG1 4.01Å; D833-V904 HydrophobicContact CB-CG2 3.94Å
834L97.6Very high95.5Very high0 Ų021.1 Ų21.10%010%0.101CC..Hα-helixtrans-60.9-45178.5-179.455.6000111.8P736 W769 Q789 Y790 P831 A836 I837 M838P736-L834 HydrophobicContact CG-CD1 4.29Å; W769-L834 HydrophobicContact CE3-CD1 3.97Å; W769-L834 HydrophobicContact CE3-CD2 4.43Å; W769-L834 HydrophobicContact CH2-CD1 4.07Å; W769-L834 HydrophobicContact CZ3-CD1 3.57Å; W769-L834 HydrophobicContact CZ3-CD2 3.91Å; W769-L834 HydrophobicContact CZ3-CG 4.36Å; Q789-L834 VanDerWaalsContact C-CD2 3.46Å; Y790-L834 HydrophobicContact CD1-CD2 3.91Å; Y790-L834 HydrophobicContact CD2-CD2 4.44Å; Y790-L834 HydrophobicContact CE1-CB 4.25Å; Y790-L834 HydrophobicContact CE1-CD1 3.81Å; Y790-L834 HydrophobicContact CE1-CD2 3.9Å; Y790-L834 HydrophobicContact CE1-CG 4.19Å; Y790-L834 HydrophobicContact CE2-CB 3.98Å; Y790-L834 HydrophobicContact CE2-CD2 4.42Å; Y790-L834 HydrophobicContact CG-CD2 4.17Å; P831-L834 HydrophobicContact CG-CB 3.85Å; P831-L834 HydrophobicContact CG-CD2 4.25Å; P831-L834 PolarHBondContact O-N 2.78Å; L834-A836 VanDerWaalsContact C-N 3.34Å; L834-I837 PolarHBondContact O-N 3.27Å; L834-M838 HydrophobicContact CD1-CG 4.26Å; L834-M838 WeakPolarHBondContact O-CG 3.41Å; L834-M838 PolarHBondContact O-N 2.77Å
835N98Very high96Very high10 Ų1018.7 Ų18.75%0.0539%0.089CC..Hα-helixtrans-68.5-37.3-178.9-72.4-90.2000110.9Y788 V830 P831 V832 D833 C839 M872 F876Y788-N835 PolarHBondContact N-OD1 3.43Å; Y788-N835 PolarHBondContact O-ND2 3.05Å; V830-N835 WeakPolarHBondContact CG1-ND2 3.4Å; P831-N835 PolarHBondContact O-N 3.32Å; P831-N835 PolarHBondContact O-ND2 3.38Å; V832-N835 PolarHBondContact O-N 3.26Å; D833-N835 VanDerWaalsContact C-N 3.34Å; D833-N835 PolarHBondContact O-N 2.84Å; N835-C839 WeakPolarHBondContact O-CB 3.22Å; N835-C839 PolarHBondContact O-N 3.47Å; N835-M872 HydrophobicContact CB-CE 3.44Å; N835-M872 VanDerWaalsContact CB-CE 3.44Å; N835-F876 HydrophobicContact CB-CE2 4.42Å; N835-F876 HydrophobicContact CB-CZ 4.05Å
836A97.8Very high96.4Very high0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-64-42.5171.800000112.7V832 D833 L834 C839 A840 M872 V904 P905 A908V832-A836 VanDerWaalsContact O-CB 3.27Å; V832-A836 WeakPolarHBondContact O-CB 3.42Å; V832-A836 PolarHBondContact O-N 3.31Å; D833-A836 PolarHBondContact O-N 2.97Å; L834-A836 VanDerWaalsContact C-N 3.34Å; A836-C839 WeakPolarHBondContact O-CB 3.46Å; A836-C839 PolarHBondContact O-N 3.47Å; A836-A840 PolarHBondContact O-N 2.9Å; A836-M872 HydrophobicContact CB-SD 4.43Å; A836-V904 HydrophobicContact CB-CG1 4Å; A836-P905 HydrophobicContact CB-CB 4.33Å; A836-P905 HydrophobicContact CB-CG 3.95Å; A836-A908 HydrophobicContact CB-CB 3.9Å; A836-A908 VanDerWaalsContact O-CB 3.22Å; A836-A908 WeakPolarHBondContact O-CB 3.27Å
837I98Very high96.8Very high6 Ų619 Ų193%0.0319%0.09CC..Hα-helixtrans-65.1-43.1177.9-68.7162.1000110.8P735 P736 F737 D833 L834 C839 A840 N841 V904P735-I837 HydrophobicContact CB-CD1 3.91Å; P736-I837 HydrophobicContact CG-CG2 3.9Å; F737-I837 HydrophobicContact CE2-CD1 3.67Å; F737-I837 HydrophobicContact CE2-CG1 4.28Å; F737-I837 HydrophobicContact CZ-CD1 3.86Å; F737-I837 HydrophobicContact CZ-CG1 4.07Å; D833-I837 WeakPolarHBondContact O-CB 3.48Å; D833-I837 WeakPolarHBondContact O-CD1 3.25Å; D833-I837 WeakPolarHBondContact O-CG1 3.3Å; D833-I837 PolarHBondContact O-N 2.96Å; L834-I837 PolarHBondContact O-N 3.27Å; I837-C839 VanDerWaalsContact C-N 3.32Å; I837-C839 PolarHBondContact O-N 2.86Å; I837-A840 WeakPolarHBondContact O-CB 3.41Å; I837-A840 PolarHBondContact O-N 2.92Å; I837-A840 VanDerWaalsContact O-N 3.14Å; I837-N841 PolarHBondContact O-N 2.83Å; I837-V904 HydrophobicContact CG1-CG1 4.21Å
838M98.2Very high97.2Very high0 Ų015.5 Ų15.50%07%0.069CC..Hα-helixtrans-63.8-38.9176.3-71.9-56.3-58.400112.1P736 Y766 W769 Y788 L834 A840 N841 D842P736-M838 HydrophobicContact CG-SD 3.56Å; P736-M838 VanDerWaalsContact CG-SD 3.56Å; Y766-M838 HydrophobicContact CD2-CE 3.55Å; Y766-M838 HydrophobicContact CE2-CE 3.64Å; Y766-M838 HydrophobicContact CG-CE 4.47Å; W769-M838 HydrophobicContact CB-CE 3.6Å; W769-M838 HydrophobicContact CB-SD 3.9Å; W769-M838 HydrophobicContact CD2-SD 4.25Å; W769-M838 HydrophobicContact CG-CE 4.14Å; W769-M838 HydrophobicContact CG-SD 3.85Å; Y788-M838 HydrophobicContact CD1-CG 3.93Å; Y788-M838 HydrophobicContact CD2-CB 3.7Å; Y788-M838 HydrophobicContact CD2-CG 3.78Å; Y788-M838 HydrophobicContact CE1-CB 4.48Å; Y788-M838 HydrophobicContact CE1-CE 3.8Å; Y788-M838 HydrophobicContact CE1-CG 4.01Å; Y788-M838 HydrophobicContact CE2-CB 3.52Å; Y788-M838 HydrophobicContact CE2-CG 3.87Å; Y788-M838 HydrophobicContact CG-CB 4.27Å; Y788-M838 HydrophobicContact CG-CG 3.81Å; L834-M838 HydrophobicContact CD1-CG 4.26Å; L834-M838 WeakPolarHBondContact O-CG 3.41Å; L834-M838 PolarHBondContact O-N 2.77Å; M838-A840 VanDerWaalsContact C-N 3.34Å; M838-A840 PolarHBondContact O-N 2.77Å; M838-N841 WeakPolarHBondContact O-CB 3.45Å; M838-N841 PolarHBondContact O-N 3.45Å; M838-N841 VanDerWaalsContact O-N 3.17Å; M838-D842 PolarHBondContact O-N 3.27Å
839C97.7Very high97.5Very high4 Ų410.3 Ų10.33%0.0275%0.05CC..Hα-helixtrans-61.1-41.8171.5-178.30000112.1N835 A836 I837 N841 D842 R843 Y865 C910N835-C839 WeakPolarHBondContact O-CB 3.22Å; N835-C839 PolarHBondContact O-N 3.47Å; A836-C839 WeakPolarHBondContact O-CB 3.46Å; A836-C839 PolarHBondContact O-N 3.47Å; I837-C839 VanDerWaalsContact C-N 3.32Å; I837-C839 PolarHBondContact O-N 2.86Å; C839-N841 VanDerWaalsContact C-N 3.31Å; C839-N841 PolarHBondContact O-N 3.42Å; C839-D842 PolarHBondContact O-N 3.18Å; C839-R843 PolarHBondContact O-N 2.94Å; C839-R843 VanDerWaalsContact O-N 3.13Å; C839-Y865 VanDerWaalsContact O-CD2 3.24Å; C839-Y865 WeakPolarHBondContact O-CD2 3.2Å; C839-Y865 WeakPolarHBondContact SG-CD2 3.47Å; C839-C910 HydrophobicContact CB-CB 3.69Å; C839-C910 WeakPolarHBondContact CB-SG 3.46Å; C839-C910 WeakPolarHBondContact SG-CB 3.28Å; C839-C910 CovalentContact SG-SG 2.02Å; C839-C910 PolarHBondContact SG-SG 2.86Å
840A97.2Very high97.7Very high3 Ų315.5 Ų15.53%0.0257%0.074CC..Hα-helixtrans-63.1-37.4173.400000112.3A836 I837 M838 R843 M844 A908A836-A840 PolarHBondContact O-N 2.9Å; I837-A840 WeakPolarHBondContact O-CB 3.41Å; I837-A840 PolarHBondContact O-N 2.92Å; I837-A840 VanDerWaalsContact O-N 3.14Å; M838-A840 VanDerWaalsContact C-N 3.34Å; M838-A840 PolarHBondContact O-N 2.77Å; A840-R843 PolarHBondContact O-N 2.94Å; A840-M844 HydrophobicContact CB-CE 4.36Å; A840-M844 VanDerWaalsContact O-CG 3.27Å; A840-M844 WeakPolarHBondContact O-CG 3.29Å; A840-M844 PolarHBondContact O-N 3.22Å; A840-A908 HydrophobicContact CB-CB 3.93Å
841N98.4Very high97.7Very high12 Ų1218.9 Ų18.96%0.0649%0.092CC..Hα-helixtrans-63.5-42.1175.5-72.4-8.9000111.3P736 A739 I837 M838 C839 R843 M844 L845P736-N841 PolarHBondContact O-ND2 3.26Å; P736-N841 PolarHBondContact O-OD1 3.35Å; A739-N841 HydrophobicContact CB-CB 4.45Å; I837-N841 PolarHBondContact O-N 2.83Å; M838-N841 WeakPolarHBondContact O-CB 3.45Å; M838-N841 PolarHBondContact O-N 3.45Å; M838-N841 VanDerWaalsContact O-N 3.17Å; C839-N841 VanDerWaalsContact C-N 3.31Å; C839-N841 PolarHBondContact O-N 3.42Å; N841-R843 VanDerWaalsContact C-N 3.34Å; N841-R843 PolarHBondContact O-N 3.26Å; N841-M844 PolarHBondContact O-N 3.46Å; N841-L845 VanDerWaalsContact O-CB 3.31Å; N841-L845 WeakPolarHBondContact O-CB 3.36Å; N841-L845 VanDerWaalsContact O-CG 3.24Å; N841-L845 WeakPolarHBondContact O-CG 3.45Å; N841-L845 PolarHBondContact O-N 2.87Å
842D98.3Very high97.7Very high7 Ų720.9 Ų20.94%0.03710%0.104CC..Hα-helixtrans-58.2-45173.3-84.8-50.2000111.9Y766 M838 C839 M844 L845 S846 H861 S864Y766-D842 WeakPolarHBondContact CE2-OD1 3.3Å; Y766-D842 VanDerWaalsContact OH-CG 3.22Å; Y766-D842 PolarHBondContact OH-OD1 3.32Å; Y766-D842 PolarHBondContact OH-OD2 2.84Å; M838-D842 PolarHBondContact O-N 3.27Å; C839-D842 PolarHBondContact O-N 3.18Å; D842-M844 PolarHBondContact O-N 3.1Å; D842-L845 PolarHBondContact O-N 3.46Å; D842-S846 WeakPolarHBondContact O-CB 3.43Å; D842-S846 PolarHBondContact O-N 3.35Å; D842-H861 WeakPolarHBondContact O-CB 3.44Å; D842-H861 IonicContact OD1-CE1 2.69Å; D842-H861 IonicContact OD1-CG 2.68Å; D842-H861 IonicContact OD1-ND1 3.16Å; D842-H861 PolarHBondContact OD1-ND1 3.14Å; D842-S864 WeakPolarHBondContact OD1-CB 3.34Å
843R97.6Very high97.6Very high40 Ų4024 Ų2415%0.15114%0.136CC..Hα-helixtrans-59.3-49.9174.8-175-17959.872.65.8112C839 A840 N841 S846 E847 Y865C839-R843 PolarHBondContact O-N 2.94Å; C839-R843 VanDerWaalsContact O-N 3.13Å; A840-R843 PolarHBondContact O-N 2.94Å; N841-R843 VanDerWaalsContact C-N 3.34Å; N841-R843 PolarHBondContact O-N 3.26Å; R843-S846 WeakPolarHBondContact O-CB 3.42Å; R843-S846 PolarHBondContact O-N 3.31Å; R843-E847 VanDerWaalsContact CG-OE1 3.32Å; R843-E847 WeakPolarHBondContact CG-OE1 3.33Å; R843-E847 IonicContact CZ-OE1 3.02Å; R843-E847 VanDerWaalsContact NH1-CD 3.28Å; R843-E847 IonicContact NH1-OE1 2.65Å; R843-E847 PolarHBondContact NH1-OE1 3.06Å; R843-E847 IonicContact NH1-OE2 3.51Å; R843-E847 PolarHBondContact NH1-OE2 3.42Å; R843-E847 WeakPolarHBondContact O-CG 3.47Å; R843-E847 PolarHBondContact O-N 3.01Å; R843-Y865 HydrophobicContact CB-CD1 4.28Å; R843-Y865 HydrophobicContact CB-CD2 3.73Å; R843-Y865 HydrophobicContact CB-CE1 4.31Å; R843-Y865 HydrophobicContact CB-CE2 3.75Å; R843-Y865 HydrophobicContact CB-CG 3.99Å; R843-Y865 HydrophobicContact CG-CD1 4.45Å; R843-Y865 HydrophobicContact CG-CE1 4.17Å; R843-Y865 HydrophobicContact CG-CE2 4.32Å
844M98Very high97.6Very high8 Ų826.1 Ų26.14%0.03915%0.147CC..Hα-helixtrans-65.8-39.4-177.5-67.8171.3-17200111.9A740 N743 A840 N841 D842 E847 M848A740-M844 VanDerWaalsContact CA-SD 3.5Å; A740-M844 HydrophobicContact CB-CE 3.95Å; A740-M844 HydrophobicContact CB-SD 3.8Å; N743-M844 HydrophobicContact CB-CG 4.37Å; N743-M844 HydrophobicContact CB-SD 4.29Å; A840-M844 HydrophobicContact CB-CE 4.36Å; A840-M844 VanDerWaalsContact O-CG 3.27Å; A840-M844 WeakPolarHBondContact O-CG 3.29Å; A840-M844 PolarHBondContact O-N 3.22Å; N841-M844 PolarHBondContact O-N 3.46Å; D842-M844 PolarHBondContact O-N 3.1Å; M844-E847 PolarHBondContact O-N 3.39Å; M844-M848 HydrophobicContact CB-CE 4.12Å; M844-M848 WeakPolarHBondContact O-CB 3.26Å; M844-M848 VanDerWaalsContact O-CE 3.29Å; M844-M848 WeakPolarHBondContact O-CE 3.36Å; M844-M848 WeakPolarHBondContact O-CG 3.43Å; M844-M848 PolarHBondContact O-N 3.29Å
845L98.5Very high97.6Very high2 Ų229.3 Ų29.31%0.0117%0.174CC..Hα-helixtrans-64.9-44.2174.8-73169000110.7L759 L762 Y766 N841 D842 E847 M848 Y849 H861L759-L845 HydrophobicContact CD1-CD2 3.83Å; L762-L845 HydrophobicContact CB-CD2 3.87Å; L762-L845 HydrophobicContact CD1-CD2 4.37Å; Y766-L845 HydrophobicContact CD2-CD1 3.72Å; Y766-L845 HydrophobicContact CE2-CD1 4.44Å; Y766-L845 HydrophobicContact CG-CD1 3.86Å; N841-L845 VanDerWaalsContact O-CB 3.31Å; N841-L845 WeakPolarHBondContact O-CB 3.36Å; N841-L845 VanDerWaalsContact O-CG 3.24Å; N841-L845 WeakPolarHBondContact O-CG 3.45Å; N841-L845 PolarHBondContact O-N 2.87Å; D842-L845 PolarHBondContact O-N 3.46Å; L845-E847 VanDerWaalsContact C-N 3.34Å; L845-E847 PolarHBondContact O-N 2.97Å; L845-M848 HydrophobicContact CD2-CE 4.19Å; L845-M848 PolarHBondContact O-N 3.46Å; L845-Y849 HydrophobicContact CB-CD2 4.38Å; L845-Y849 HydrophobicContact CB-CE2 4.48Å; L845-Y849 HydrophobicContact CD2-CE2 4.46Å; L845-Y849 WeakPolarHBondContact O-CB 3.45Å; L845-Y849 WeakPolarHBondContact O-CD2 3.29Å; L845-Y849 PolarHBondContact O-N 3.26Å; L845-H861 HydrophobicContact CB-CB 4.33Å
846S98.4Very high97.6Very high8 Ų835.6 Ų35.66%0.05620%0.201CC..Hα-helixtrans-55.3-49.5173.9175.10000111.7D842 R843 Y849 E850 A858D842-S846 WeakPolarHBondContact O-CB 3.43Å; D842-S846 PolarHBondContact O-N 3.35Å; R843-S846 WeakPolarHBondContact O-CB 3.42Å; R843-S846 PolarHBondContact O-N 3.31Å; S846-Y849 PolarHBondContact O-N 3.5Å; S846-E850 WeakPolarHBondContact O-CB 3.47Å; S846-E850 PolarHBondContact O-N 2.96Å; S846-A858 PolarHBondContact OG-O 2.98Å; S846-A858 VanDerWaalsContact OG-O 3.11Å
847E98Very high97.6Very high72 Ų7237.1 Ų37.134%0.33621%0.208SC..Hα-helixtrans-62.3-43.2179.2-71.4167-172.600111.2R843 M844 L845 E850 L851R843-E847 VanDerWaalsContact CG-OE1 3.32Å; R843-E847 WeakPolarHBondContact CG-OE1 3.33Å; R843-E847 IonicContact CZ-OE1 3.02Å; R843-E847 VanDerWaalsContact NH1-CD 3.28Å; R843-E847 IonicContact NH1-OE1 2.65Å; R843-E847 PolarHBondContact NH1-OE1 3.06Å; R843-E847 IonicContact NH1-OE2 3.51Å; R843-E847 PolarHBondContact NH1-OE2 3.42Å; R843-E847 WeakPolarHBondContact O-CG 3.47Å; R843-E847 PolarHBondContact O-N 3.01Å; M844-E847 PolarHBondContact O-N 3.39Å; L845-E847 VanDerWaalsContact C-N 3.34Å; L845-E847 PolarHBondContact O-N 2.97Å; E847-E850 PolarHBondContact O-N 3.49Å; E847-L851 VanDerWaalsContact O-CG 3.29Å; E847-L851 WeakPolarHBondContact O-CG 3.19Å; E847-L851 PolarHBondContact O-N 3.42Å
848M98.3Very high97.6Very high1 Ų136.9 Ų36.91%0.00521%0.207CC..Hα-helixtrans-68.5-38.2178.4-74.2-175.1-75.700113.3A739 V742 V755 L759 L762 M844 L845 E850 L851 V852A739-M848 HydrophobicContact CB-CE 4.3Å; V742-M848 HydrophobicContact CB-SD 4.31Å; V742-M848 HydrophobicContact CG1-SD 3.71Å; V755-M848 HydrophobicContact CG1-CB 3.97Å; V755-M848 HydrophobicContact CG1-CG 3.92Å; V755-M848 HydrophobicContact CG1-SD 4.04Å; L759-M848 HydrophobicContact CD1-CB 3.76Å; L759-M848 HydrophobicContact CD1-CE 4.4Å; L759-M848 HydrophobicContact CD1-SD 4.41Å; L759-M848 HydrophobicContact CD2-CB 4.3Å; L762-M848 HydrophobicContact CD1-CE 3.72Å; L762-M848 HydrophobicContact CD1-SD 4.05Å; M844-M848 HydrophobicContact CB-CE 4.12Å; M844-M848 WeakPolarHBondContact O-CB 3.26Å; M844-M848 VanDerWaalsContact O-CE 3.29Å; M844-M848 WeakPolarHBondContact O-CE 3.36Å; M844-M848 WeakPolarHBondContact O-CG 3.43Å; M844-M848 PolarHBondContact O-N 3.29Å; L845-M848 HydrophobicContact CD2-CE 4.19Å; L845-M848 PolarHBondContact O-N 3.46Å; M848-E850 VanDerWaalsContact C-N 3.34Å; M848-L851 WeakPolarHBondContact O-CB 3.45Å; M848-L851 PolarHBondContact O-N 2.99Å; M848-V852 PolarHBondContact O-N 3.44Å
849Y98.3Very high97.6Very high16 Ų1639.8 Ų39.86%0.06322%0.222CC..Hα-helixtrans-66.5-37.3175.2-84-62.8000112.1L759 E763 L845 S846 V852 G853 D854 M857 H861L759-Y849 HydrophobicContact CD1-CD2 4.35Å; L759-Y849 HydrophobicContact CD1-CE1 4.49Å; L759-Y849 HydrophobicContact CD1-CE2 4.13Å; L759-Y849 HydrophobicContact CD2-CD1 3.33Å; L759-Y849 HydrophobicContact CD2-CD2 4.31Å; L759-Y849 HydrophobicContact CD2-CE1 3.49Å; L759-Y849 VanDerWaalsContact CD2-CE1 3.49Å; L759-Y849 HydrophobicContact CD2-CE2 4.42Å; L759-Y849 HydrophobicContact CD2-CG 3.79Å; L759-Y849 HydrophobicContact CG-CD1 4.01Å; L759-Y849 HydrophobicContact CG-CD2 4.48Å; L759-Y849 HydrophobicContact CG-CE1 3.67Å; L759-Y849 HydrophobicContact CG-CE2 4.16Å; L759-Y849 HydrophobicContact CG-CG 4.41Å; E763-Y849 WeakPolarHBondContact CB-OH 3.24Å; L845-Y849 HydrophobicContact CB-CD2 4.38Å; L845-Y849 HydrophobicContact CB-CE2 4.48Å; L845-Y849 HydrophobicContact CD2-CE2 4.46Å; L845-Y849 WeakPolarHBondContact O-CB 3.45Å; L845-Y849 WeakPolarHBondContact O-CD2 3.29Å; L845-Y849 PolarHBondContact O-N 3.26Å; S846-Y849 PolarHBondContact O-N 3.5Å; Y849-V852 HydrophobicContact CD1-CG2 4.34Å; Y849-V852 WeakPolarHBondContact O-CG2 3.18Å; Y849-V852 PolarHBondContact O-N 3.07Å; Y849-G853 PolarHBondContact O-N 2.88Å; Y849-G853 VanDerWaalsContact O-N 3.14Å; Y849-D854 HydrophobicContact CD1-CB 3.84Å; Y849-D854 PolarHBondContact O-N 3.34Å; Y849-M857 HydrophobicContact CD1-CB 3.49Å; Y849-M857 VanDerWaalsContact CD1-CB 3.49Å; Y849-M857 HydrophobicContact CD1-CG 4.16Å; Y849-M857 HydrophobicContact CD2-CB 3.65Å; Y849-M857 HydrophobicContact CE1-CB 3.67Å; Y849-M857 HydrophobicContact CE1-CG 3.88Å; Y849-M857 HydrophobicContact CE2-CB 3.84Å; Y849-M857 HydrophobicContact CE2-CE 3.88Å; Y849-M857 HydrophobicContact CE2-CG 4.46Å; Y849-M857 HydrophobicContact CG-CB 3.48Å; Y849-M857 VanDerWaalsContact CG-CB 3.48Å; Y849-H861 AromaticContact CD2-CD2 3.63Å; Y849-H861 AromaticContact CE2-CD2 3.65Å; Y849-H861 AromaticContact CE2-NE2 3.58Å
850E97.7Very high97.6Very high115 Ų11543.2 Ų43.254%0.53724%0.238SC..Hα-helixtrans-63.4-41.8172.8-173160.3-153.300111.3S846 E847 M848 V852 G853 A858 R862S846-E850 WeakPolarHBondContact O-CB 3.47Å; S846-E850 PolarHBondContact O-N 2.96Å; E847-E850 PolarHBondContact O-N 3.49Å; M848-E850 VanDerWaalsContact C-N 3.34Å; E850-V852 VanDerWaalsContact C-N 3.31Å; E850-V852 PolarHBondContact O-N 3.33Å; E850-G853 PolarHBondContact O-N 3.42Å; E850-A858 HydrophobicContact CB-CB 4.16Å; E850-R862 IonicContact OE1-NH2 3.95Å; E850-R862 PolarHBondContact OE1-NH2 2.9Å; E850-R862 IonicContact OE2-NH2 3.41Å; E850-R862 PolarHBondContact OE2-NH2 2.77Å
851L95.9Very high97.6Very high72 Ų7243.4 Ų43.438%0.37724%0.238SC..Hα-helixtrans-61.2-34.3176.3-74.1169.9000113.8Y746 L752 E847 M848Y746-L851 HydrophobicContact CD1-CD1 3.96Å; Y746-L851 HydrophobicContact CE1-CD1 3.4Å; Y746-L851 HydrophobicContact CE1-CD2 4.34Å; L752-L851 HydrophobicContact CD1-CB 4.01Å; E847-L851 VanDerWaalsContact O-CG 3.29Å; E847-L851 WeakPolarHBondContact O-CG 3.19Å; E847-L851 PolarHBondContact O-N 3.42Å; M848-L851 WeakPolarHBondContact O-CB 3.45Å; M848-L851 PolarHBondContact O-N 2.99Å
852V96.2Very high97.6Very high42 Ų4247.1 Ų47.126%0.25525%0.251SS..THydrogen-bonded Turntrans-92.61.1179-56.10000113.5L752 V755 Q756 L759 M848 Y849 E850 D854L752-V852 HydrophobicContact CD1-CG1 4.22Å; V755-V852 HydrophobicContact CG1-CG1 4.27Å; Q756-V852 HydrophobicContact CB-CG1 4.01Å; Q756-V852 HydrophobicContact CG-CG1 4.34Å; L759-V852 HydrophobicContact CD2-CG1 4.32Å; L759-V852 HydrophobicContact CD2-CG2 3.63Å; M848-V852 PolarHBondContact O-N 3.44Å; Y849-V852 HydrophobicContact CD1-CG2 4.34Å; Y849-V852 WeakPolarHBondContact O-CG2 3.18Å; Y849-V852 PolarHBondContact O-N 3.07Å; E850-V852 VanDerWaalsContact C-N 3.31Å; E850-V852 PolarHBondContact O-N 3.33Å; V852-D854 HydrophobicContact CG2-CB 4.47Å
853G95.6Very high97.6Very high66 Ų6654.8 Ų54.868%0.6828%0.28SS*.THydrogen-bonded Turntrans82.317.617600000115.6Y849 E850 A855Y849-G853 PolarHBondContact O-N 2.88Å; Y849-G853 VanDerWaalsContact O-N 3.14Å; E850-G853 PolarHBondContact O-N 3.42Å; G853-A855 PolarHBondContact O-N 3.42Å
854D96.4Very high97.6Very high64 Ų6455.1 Ų55.134%0.34229%0.288SS..  trans-94.181.9173.3-168.5-24.1000110.5Y849 V852 K856 M857 A858Y849-D854 HydrophobicContact CD1-CB 3.84Å; Y849-D854 PolarHBondContact O-N 3.34Å; V852-D854 HydrophobicContact CG2-CB 4.47Å; D854-K856 PolarHBondContact O-N 2.99Å; D854-K856 PolarHBondContact OD1-N 3.03Å; D854-M857 HydrophobicContact CB-CB 4.47Å; D854-M857 PolarHBondContact O-N 2.86Å; D854-M857 PolarHBondContact OD1-N 2.85Å; D854-M857 VanDerWaalsContact OD1-N 3.1Å; D854-M857 WeakPolarHBondContact OD2-CG 3.46Å; D854-A858 WeakPolarHBondContact O-CB 3.42Å; D854-A858 PolarHBondContact O-N 3.27Å
855A96.8Very high97.6Very high67 Ų6756.2 Ų56.255%0.55429%0.292SS*.Hα-helixtrans-60.2-30-177.900000113.1G853 D859G853-A855 PolarHBondContact O-N 3.42Å; A855-D859 WeakPolarHBondContact O-CB 3.33Å; A855-D859 PolarHBondContact O-N 3Å
856K97.9Very high97.5Very high143 Ų14360 Ų6062%0.62231%0.31SS*.Hα-helixtrans-68.8-54-177.9-178-170.4169.3-164.40110.4D854 A858 D859 E860D854-K856 PolarHBondContact O-N 2.99Å; D854-K856 PolarHBondContact OD1-N 3.03Å; K856-A858 VanDerWaalsContact C-N 3.29Å; K856-A858 PolarHBondContact O-N 3.48Å; K856-D859 PolarHBondContact O-N 2.76Å; K856-E860 WeakPolarHBondContact CE-OE1 3.06Å; K856-E860 IonicContact NZ-OE1 3.87Å; K856-E860 WeakPolarHBondContact O-CG 3.41Å; K856-E860 PolarHBondContact O-N 2.73Å
857M97.4Very high97.3Very high31 Ų3163 Ų6315%0.15333%0.328CS..Hα-helixtrans-65-37.6178.5-69.8-61.9-61.800111E763 Y849 D854 D859 E860 H861E763-M857 HydrophobicContact CG-CE 4.03Å; Y849-M857 HydrophobicContact CD1-CB 3.49Å; Y849-M857 VanDerWaalsContact CD1-CB 3.49Å; Y849-M857 HydrophobicContact CD1-CG 4.16Å; Y849-M857 HydrophobicContact CD2-CB 3.65Å; Y849-M857 HydrophobicContact CE1-CB 3.67Å; Y849-M857 HydrophobicContact CE1-CG 3.88Å; Y849-M857 HydrophobicContact CE2-CB 3.84Å; Y849-M857 HydrophobicContact CE2-CE 3.88Å; Y849-M857 HydrophobicContact CE2-CG 4.46Å; Y849-M857 HydrophobicContact CG-CB 3.48Å; Y849-M857 VanDerWaalsContact CG-CB 3.48Å; D854-M857 HydrophobicContact CB-CB 4.47Å; D854-M857 PolarHBondContact O-N 2.86Å; D854-M857 PolarHBondContact OD1-N 2.85Å; D854-M857 VanDerWaalsContact OD1-N 3.1Å; D854-M857 WeakPolarHBondContact OD2-CG 3.46Å; M857-D859 PolarHBondContact O-N 3.48Å; M857-E860 PolarHBondContact O-N 2.83Å; M857-H861 PolarHBondContact O-CD2 2.87Å; M857-H861 VanDerWaalsContact O-CD2 3.26Å; M857-H861 PolarHBondContact O-N 2.93Å
858A98.3Very high97.2Very high1 Ų160.3 Ų60.31%0.00832%0.319CS..Hα-helixtrans-56.2-49174.100000111.5S846 E850 D854 K856 E860 R862S846-A858 PolarHBondContact OG-O 2.98Å; S846-A858 VanDerWaalsContact OG-O 3.11Å; E850-A858 HydrophobicContact CB-CB 4.16Å; D854-A858 WeakPolarHBondContact O-CB 3.42Å; D854-A858 PolarHBondContact O-N 3.27Å; K856-A858 VanDerWaalsContact C-N 3.29Å; K856-A858 PolarHBondContact O-N 3.48Å; A858-E860 PolarHBondContact O-N 2.92Å; A858-R862 VanDerWaalsContact O-CB 3.22Å; A858-R862 WeakPolarHBondContact O-CB 2.9Å; A858-R862 PolarHBondContact O-N 3.01Å
859D98.5Very high97.1Very high61 Ų6161.2 Ų61.233%0.32632%0.323SS..Hα-helixtrans-68.3-32.7178.8-78.8-22.4000113.6A855 K856 M857 R862 R863A855-D859 WeakPolarHBondContact O-CB 3.33Å; A855-D859 PolarHBondContact O-N 3Å; K856-D859 PolarHBondContact O-N 2.76Å; M857-D859 PolarHBondContact O-N 3.48Å; D859-R862 IonicContact OD1-CZ 3.85Å; D859-R862 IonicContact OD1-NH1 3.21Å; D859-R862 PolarHBondContact OD1-NH1 3.39Å; D859-R863 WeakPolarHBondContact O-CG 3.4Å; D859-R863 PolarHBondContact O-N 3.38Å; D859-R863 PolarHBondContact O-NE 2.79Å
860E97.9Very high96.8Very high77 Ų7765.4 Ų65.436%0.3634%0.343SS..Hα-helixtrans-64.6-48.8175.6-76.2178.4-172.900111.6K856 M857 A858 R863 S864K856-E860 WeakPolarHBondContact CE-OE1 3.06Å; K856-E860 IonicContact NZ-OE1 3.87Å; K856-E860 WeakPolarHBondContact O-CG 3.41Å; K856-E860 PolarHBondContact O-N 2.73Å; M857-E860 PolarHBondContact O-N 2.83Å; A858-E860 PolarHBondContact O-N 2.92Å; E860-R863 PolarHBondContact O-N 3.34Å; E860-S864 PolarHBondContact O-N 3.16Å; E860-S864 VanDerWaalsContact O-N 3.11Å; E860-S864 PolarHBondContact O-OG 2.88Å
861H98.4Very high96.7Very high6 Ų661.4 Ų61.43%0.02833%0.325CS..Hα-helixtrans-68.8-35.7175.5-75-68.2000112.5E763 Y766 D842 L845 Y849 M857 R863 S864 Y865E763-H861 IonicContact OE2-CE1 2.88Å; E763-H861 PolarHBondContact OE2-CE1 2.98Å; E763-H861 IonicContact OE2-NE2 3.88Å; E763-H861 PolarHBondContact OE2-NE2 3.31Å; Y766-H861 AromaticContact CD1-CE1 3.84Å; Y766-H861 AromaticContact CE1-CE1 3.82Å; D842-H861 WeakPolarHBondContact O-CB 3.44Å; D842-H861 IonicContact OD1-CE1 2.69Å; D842-H861 IonicContact OD1-CG 2.68Å; D842-H861 IonicContact OD1-ND1 3.16Å; D842-H861 PolarHBondContact OD1-ND1 3.14Å; L845-H861 HydrophobicContact CB-CB 4.33Å; Y849-H861 AromaticContact CD2-CD2 3.63Å; Y849-H861 AromaticContact CE2-CD2 3.65Å; Y849-H861 AromaticContact CE2-NE2 3.58Å; M857-H861 PolarHBondContact O-CD2 2.87Å; M857-H861 VanDerWaalsContact O-CD2 3.26Å; M857-H861 PolarHBondContact O-N 2.93Å; H861-R863 VanDerWaalsContact C-N 3.33Å; H861-R863 PolarHBondContact O-N 3.47Å; H861-S864 PolarHBondContact O-N 3.37Å; H861-Y865 WeakPolarHBondContact O-CB 3.35Å; H861-Y865 PolarHBondContact O-N 3.17Å
862R98.1Very high96.6Very high90 Ų9058.1 Ų58.134%0.3431%0.308SS..Hα-helixtrans-58.2-45.1174.1-168.3-179.4-65165.4-14.7111.2E850 A858 D859 Y865 E866E850-R862 IonicContact OE1-NH2 3.95Å; E850-R862 PolarHBondContact OE1-NH2 2.9Å; E850-R862 IonicContact OE2-NH2 3.41Å; E850-R862 PolarHBondContact OE2-NH2 2.77Å; A858-R862 VanDerWaalsContact O-CB 3.22Å; A858-R862 WeakPolarHBondContact O-CB 2.9Å; A858-R862 PolarHBondContact O-N 3.01Å; D859-R862 IonicContact OD1-CZ 3.85Å; D859-R862 IonicContact OD1-NH1 3.21Å; D859-R862 PolarHBondContact OD1-NH1 3.39Å; R862-Y865 WeakPolarHBondContact O-CB 3.32Å; R862-Y865 PolarHBondContact O-N 2.95Å; R862-E866 WeakPolarHBondContact O-CG 3.43Å; R862-E866 PolarHBondContact O-N 3.44Å
863R97.9Very high96.5Very high168 Ų16858.4 Ų58.463%0.63431%0.307SS*.Hα-helixtrans-63.1-41.4175-74.3178.7-125.7170.9-0.3112.6D859 E860 H861 Y865 E866 T867D859-R863 WeakPolarHBondContact O-CG 3.4Å; D859-R863 PolarHBondContact O-N 3.38Å; D859-R863 PolarHBondContact O-NE 2.79Å; E860-R863 PolarHBondContact O-N 3.34Å; H861-R863 VanDerWaalsContact C-N 3.33Å; H861-R863 PolarHBondContact O-N 3.47Å; R863-Y865 VanDerWaalsContact C-N 3.34Å; R863-E866 PolarHBondContact O-N 3.22Å; R863-T867 PolarHBondContact O-N 3.19Å; R863-T867 PolarHBondContact O-OG1 3.47Å; R863-T867 VanDerWaalsContact O-OG1 3.11Å
864S96.7Very high96.3Very high47 Ų4761.5 Ų61.533%0.32931%0.308SS..Hα-helixtrans-64.5-39.8177.5-57.80000111.5D842 E860 H861 T867 G868D842-S864 WeakPolarHBondContact OD1-CB 3.34Å; E860-S864 PolarHBondContact O-N 3.16Å; E860-S864 VanDerWaalsContact O-N 3.11Å; E860-S864 PolarHBondContact O-OG 2.88Å; H861-S864 PolarHBondContact O-N 3.37Å; S864-T867 PolarHBondContact O-N 3.27Å; S864-G868 PolarHBondContact O-N 2.84Å
865Y97.6Very high96.2Very high32 Ų3260 Ų6013%0.12530%0.3CS..Hα-helixtrans-61.1-47.1172.4175.9-121.4000112.1C839 R843 H861 R862 R863 T867 G868 K869 R909C839-Y865 VanDerWaalsContact O-CD2 3.24Å; C839-Y865 WeakPolarHBondContact O-CD2 3.2Å; C839-Y865 WeakPolarHBondContact SG-CD2 3.47Å; R843-Y865 HydrophobicContact CB-CD1 4.28Å; R843-Y865 HydrophobicContact CB-CD2 3.73Å; R843-Y865 HydrophobicContact CB-CE1 4.31Å; R843-Y865 HydrophobicContact CB-CE2 3.75Å; R843-Y865 HydrophobicContact CB-CG 3.99Å; R843-Y865 HydrophobicContact CG-CD1 4.45Å; R843-Y865 HydrophobicContact CG-CE1 4.17Å; R843-Y865 HydrophobicContact CG-CE2 4.32Å; H861-Y865 WeakPolarHBondContact O-CB 3.35Å; H861-Y865 PolarHBondContact O-N 3.17Å; R862-Y865 WeakPolarHBondContact O-CB 3.32Å; R862-Y865 PolarHBondContact O-N 2.95Å; R863-Y865 VanDerWaalsContact C-N 3.34Å; Y865-T867 VanDerWaalsContact C-N 3.32Å; Y865-T867 PolarHBondContact O-N 3.19Å; Y865-G868 WeakPolarHBondContact O-CA 3.48Å; Y865-G868 PolarHBondContact O-N 3.46Å; Y865-G868 VanDerWaalsContact O-N 3.1Å; Y865-K869 HydrophobicContact CD2-CG 4.46Å; Y865-K869 HydrophobicContact CE1-CD 3.97Å; Y865-K869 HydrophobicContact CE1-CG 4.49Å; Y865-K869 HydrophobicContact CE2-CD 4.34Å; Y865-K869 HydrophobicContact CE2-CG 4.08Å; Y865-K869 WeakPolarHBondContact O-CG 3.26Å; Y865-K869 PolarHBondContact O-N 3.37Å; Y865-R909 PolarHBondContact OH-O 2.92Å
866E96.4Very high96.1Very high80 Ų8056.8 Ų56.837%0.37427%0.274SS..Hα-helixtrans-59.3-42.3175.9-68.3-57.913300112R862 R863 K869 Q870R862-E866 WeakPolarHBondContact O-CG 3.43Å; R862-E866 PolarHBondContact O-N 3.44Å; R863-E866 PolarHBondContact O-N 3.22Å; E866-K869 PolarHBondContact O-N 2.99Å; E866-K869 WeakPolarHBondContact OE1-CE 3.41Å; E866-K869 IonicContact OE1-NZ 3.37Å; E866-K869 PolarHBondContact OE1-NZ 3.37Å; E866-K869 WeakPolarHBondContact OE2-CE 3.45Å; E866-K869 IonicContact OE2-NZ 2.78Å; E866-K869 PolarHBondContact OE2-NZ 3.29Å; E866-Q870 WeakPolarHBondContact O-CG 3.43Å; E866-Q870 PolarHBondContact O-N 3.07Å; E866-Q870 VanDerWaalsContact O-N 3.17Å
867T94.6Very high96Very high73 Ų7351.7 Ų51.745%0.44825%0.251SS..Hα-helixtrans-64.4-40.7173.8-60.50000111.4R863 S864 Y865 K869 Q870 I871R863-T867 PolarHBondContact O-N 3.19Å; R863-T867 PolarHBondContact O-OG1 3.47Å; R863-T867 VanDerWaalsContact O-OG1 3.11Å; S864-T867 PolarHBondContact O-N 3.27Å; Y865-T867 VanDerWaalsContact C-N 3.32Å; Y865-T867 PolarHBondContact O-N 3.19Å; T867-K869 PolarHBondContact O-N 2.93Å; T867-Q870 PolarHBondContact O-N 2.74Å; T867-I871 HydrophobicContact CG2-CD1 3.95Å; T867-I871 HydrophobicContact CG2-CG1 4.44Å; T867-I871 WeakPolarHBondContact O-CG1 3.35Å; T867-I871 PolarHBondContact O-N 3.39Å
868G95.6Very high96Very high14 Ų1450.9 Ų50.914%0.14425%0.247CC..Hα-helixtrans-58.4-44.2175.500000112.6S864 Y865 I871 M872 C910S864-G868 PolarHBondContact O-N 2.84Å; Y865-G868 WeakPolarHBondContact O-CA 3.48Å; Y865-G868 PolarHBondContact O-N 3.46Å; Y865-G868 VanDerWaalsContact O-N 3.1Å; G868-I871 PolarHBondContact O-N 3.46Å; G868-M872 PolarHBondContact O-N 2.76Å; G868-C910 PolarHBondContact O-SG 3.27Å
869K96.2Very high95.7Very high20 Ų2055.3 Ų55.39%0.08728%0.275CS..Hα-helixtrans-60.3-45.7175.3-68.9-170-70145.90111.8Y865 E866 T867 I871 M872 M873 F911 D912Y865-K869 HydrophobicContact CD2-CG 4.46Å; Y865-K869 HydrophobicContact CE1-CD 3.97Å; Y865-K869 HydrophobicContact CE1-CG 4.49Å; Y865-K869 HydrophobicContact CE2-CD 4.34Å; Y865-K869 HydrophobicContact CE2-CG 4.08Å; Y865-K869 WeakPolarHBondContact O-CG 3.26Å; Y865-K869 PolarHBondContact O-N 3.37Å; E866-K869 PolarHBondContact O-N 2.99Å; E866-K869 WeakPolarHBondContact OE1-CE 3.41Å; E866-K869 IonicContact OE1-NZ 3.37Å; E866-K869 PolarHBondContact OE1-NZ 3.37Å; E866-K869 WeakPolarHBondContact OE2-CE 3.45Å; E866-K869 IonicContact OE2-NZ 2.78Å; E866-K869 PolarHBondContact OE2-NZ 3.29Å; T867-K869 PolarHBondContact O-N 2.93Å; K869-I871 PolarHBondContact O-N 3.45Å; K869-M872 PolarHBondContact O-N 3.41Å; K869-M873 WeakPolarHBondContact O-CG 3.31Å; K869-M873 PolarHBondContact O-N 3.32Å; K869-F911 WeakPolarHBondContact CD-O 3.36Å; K869-D912 WeakPolarHBondContact CE-OD1 3.28Å; K869-D912 IonicContact NZ-OD1 2.73Å; K869-D912 PolarHBondContact NZ-OD1 3.27Å
870Q93.7Very high95.5Very high105 Ų10560.2 Ų60.249%0.49130%0.296SS..Hα-helixtrans-61-44.1176.6-70.1179.5-10.100111.6E866 T867 M872 M873 N874E866-Q870 WeakPolarHBondContact O-CG 3.43Å; E866-Q870 PolarHBondContact O-N 3.07Å; E866-Q870 VanDerWaalsContact O-N 3.17Å; T867-Q870 PolarHBondContact O-N 2.74Å; Q870-M872 PolarHBondContact O-N 2.72Å; Q870-M873 PolarHBondContact O-N 2.87Å; Q870-N874 VanDerWaalsContact O-CB 3.22Å; Q870-N874 WeakPolarHBondContact O-CB 3.5Å; Q870-N874 VanDerWaalsContact O-CG 3.24Å; Q870-N874 PolarHBondContact O-N 3.39Å; Q870-N874 PolarHBondContact O-ND2 3.45Å
871I93.9Very high95.4Very high31 Ų3158 Ų5816%0.15929%0.287CS..Hα-helixtrans-60.9-45.5176.5-69.9170.6000110.7L787 T867 G868 K869 M873 L875 F876L787-I871 HydrophobicContact CD2-CG2 3.56Å; T867-I871 HydrophobicContact CG2-CD1 3.95Å; T867-I871 HydrophobicContact CG2-CG1 4.44Å; T867-I871 WeakPolarHBondContact O-CG1 3.35Å; T867-I871 PolarHBondContact O-N 3.39Å; G868-I871 PolarHBondContact O-N 3.46Å; K869-I871 PolarHBondContact O-N 3.45Å; I871-M873 VanDerWaalsContact C-N 3.34Å; I871-M873 PolarHBondContact O-N 2.73Å; I871-L875 VanDerWaalsContact O-CB 3.25Å; I871-L875 WeakPolarHBondContact O-CB 3.32Å; I871-L875 PolarHBondContact O-N 3.06Å; I871-F876 HydrophobicContact CG2-CD2 4.15Å; I871-F876 HydrophobicContact CG2-CE2 3.77Å
872M95.5Very high95.2Very high3 Ų363 Ų632%0.01531%0.309CS..Iπ-helixtrans-59-45.1177.5-75.8-54.699.300112N835 A836 G868 K869 Q870 F876 W877 W884 P905 C910N835-M872 HydrophobicContact CB-CE 3.44Å; N835-M872 VanDerWaalsContact CB-CE 3.44Å; A836-M872 HydrophobicContact CB-SD 4.43Å; G868-M872 PolarHBondContact O-N 2.76Å; K869-M872 PolarHBondContact O-N 3.41Å; Q870-M872 PolarHBondContact O-N 2.72Å; M872-F876 HydrophobicContact CE-CD1 4.43Å; M872-F876 HydrophobicContact CE-CD2 3.22Å; M872-F876 HydrophobicContact CE-CE1 4.5Å; M872-F876 HydrophobicContact CE-CE2 3.29Å; M872-F876 HydrophobicContact CE-CG 3.84Å; M872-F876 HydrophobicContact CE-CZ 3.97Å; M872-F876 PolarHBondContact O-N 2.84Å; M872-F876 HydrophobicContact SD-CB 4.3Å; M872-F876 HydrophobicContact SD-CD2 4.02Å; M872-F876 HydrophobicContact SD-CG 4.11Å; M872-W877 PolarHBondContact O-N 3.41Å; M872-W884 VanDerWaalsContact O-CD1 3.26Å; M872-W884 PolarHBondContact O-NE1 3.41Å; M872-P905 HydrophobicContact SD-CG 4.32Å; M872-C910 VanDerWaalsContact CB-O 3.28Å; M872-C910 WeakPolarHBondContact CB-O 3.37Å; M872-C910 HydrophobicContact CG-CB 3.98Å; M872-C910 WeakPolarHBondContact CG-SG 3.45Å
873M93.5Very high95.1Very high48 Ų4858.8 Ų58.824%0.23629%0.293CS..Iπ-helixtrans-78.8-31.3-176.3-66.8-54.2-61.600114.1K869 Q870 I871 W877 W884 F911K869-M873 WeakPolarHBondContact O-CG 3.31Å; K869-M873 PolarHBondContact O-N 3.32Å; Q870-M873 PolarHBondContact O-N 2.87Å; I871-M873 VanDerWaalsContact C-N 3.34Å; I871-M873 PolarHBondContact O-N 2.73Å; M873-W877 HydrophobicContact CE-CB 4.4Å; M873-W877 HydrophobicContact CE-CD2 4.06Å; M873-W877 HydrophobicContact CE-CG 3.91Å; M873-W877 WeakPolarHBondContact O-CB 3.34Å; M873-W877 HydrophobicContact SD-CB 4.41Å; M873-W877 HydrophobicContact SD-CG 4.42Å; M873-W884 HydrophobicContact SD-CZ2 3.96Å; M873-F911 HydrophobicContact CG-CB 4.22Å; M873-F911 HydrophobicContact SD-CB 3.7Å
874N91.5Very high95.1Very high131 Ų13150.8 Ų50.870%0.70126%0.262SS*.Iπ-helixtrans-87.3-32.4-177.8-67-14.2000112.4Q870Q870-N874 VanDerWaalsContact O-CB 3.22Å; Q870-N874 WeakPolarHBondContact O-CB 3.5Å; Q870-N874 VanDerWaalsContact O-CG 3.24Å; Q870-N874 PolarHBondContact O-N 3.39Å; Q870-N874 PolarHBondContact O-ND2 3.45Å
875L92.9Very high95.1Very high32 Ų3248.8 Ų48.817%0.16825%0.248CC..Iπ-helixtrans-111-46.5-169.5-168.870.6000113.6F777 I785 L787 I871 I887 K894F777-L875 HydrophobicContact CD1-CD1 4.44Å; F777-L875 HydrophobicContact CD1-CD2 4.17Å; F777-L875 HydrophobicContact CE1-CD1 3.61Å; F777-L875 HydrophobicContact CE1-CD2 4.04Å; F777-L875 HydrophobicContact CE1-CG 4.45Å; F777-L875 HydrophobicContact CZ-CD1 4.15Å; I785-L875 HydrophobicContact CD1-CD2 3.79Å; L787-L875 HydrophobicContact CD1-CD2 3.55Å; L787-L875 HydrophobicContact CD2-CD2 3.99Å; L787-L875 HydrophobicContact CG-CD2 4.4Å; I871-L875 VanDerWaalsContact O-CB 3.25Å; I871-L875 WeakPolarHBondContact O-CB 3.32Å; I871-L875 PolarHBondContact O-N 3.06Å; L875-I887 HydrophobicContact CB-CD1 4.5Å; L875-I887 HydrophobicContact CD1-CD1 4.25Å; L875-I887 HydrophobicContact CD2-CD1 3.28Å; L875-I887 HydrophobicContact CG-CD1 3.39Å; L875-I887 HydrophobicContact CG-CG1 4.46Å; L875-K894 WeakPolarHBondContact O-CE 3.48Å
876F95.9Very high95.1Very high0 Ų047.3 Ų47.30%024%0.242CC..Iπ-helixtrans-87.7-34.7-174.9-68.4-100.7000112L787 V830 V832 N835 I871 M872 W884 Y885 I887L787-F876 HydrophobicContact CD2-CE2 4.09Å; L787-F876 HydrophobicContact CD2-CZ 4.42Å; V830-F876 HydrophobicContact CG1-CE1 4.12Å; V830-F876 HydrophobicContact CG1-CZ 3.7Å; V832-F876 HydrophobicContact CB-CD1 3.8Å; V832-F876 HydrophobicContact CB-CE1 4.27Å; V832-F876 HydrophobicContact CG2-CB 4.28Å; V832-F876 HydrophobicContact CG2-CD1 3.84Å; V832-F876 HydrophobicContact CG2-CG 4.36Å; N835-F876 HydrophobicContact CB-CE2 4.42Å; N835-F876 HydrophobicContact CB-CZ 4.05Å; I871-F876 HydrophobicContact CG2-CD2 4.15Å; I871-F876 HydrophobicContact CG2-CE2 3.77Å; M872-F876 HydrophobicContact CE-CD1 4.43Å; M872-F876 HydrophobicContact CE-CD2 3.22Å; M872-F876 HydrophobicContact CE-CE1 4.5Å; M872-F876 HydrophobicContact CE-CE2 3.29Å; M872-F876 HydrophobicContact CE-CG 3.84Å; M872-F876 HydrophobicContact CE-CZ 3.97Å; M872-F876 PolarHBondContact O-N 2.84Å; M872-F876 HydrophobicContact SD-CB 4.3Å; M872-F876 HydrophobicContact SD-CD2 4.02Å; M872-F876 HydrophobicContact SD-CG 4.11Å; F876-W884 HydrophobicContact CB-CB 4.18Å; F876-W884 HydrophobicContact CB-CG 4.44Å; F876-W884 CarbonylContact O-C 3.56Å; F876-W884 VanDerWaalsContact O-CA 3.3Å; F876-W884 WeakPolarHBondContact O-CA 3.09Å; F876-Y885 WeakPolarHBondContact CD1-O 3.24Å; F876-Y885 PolarHBondContact O-N 3.01Å; F876-I887 HydrophobicContact CD1-CD1 4.04Å; F876-I887 HydrophobicContact CD1-CG1 4.27Å; F876-I887 HydrophobicContact CD2-CD1 4.15Å; F876-I887 HydrophobicContact CE1-CD1 3.71Å; F876-I887 HydrophobicContact CE1-CG1 4.16Å; F876-I887 HydrophobicContact CE2-CD1 3.84Å; F876-I887 HydrophobicContact CG-CD1 4.24Å; F876-I887 HydrophobicContact CZ-CD1 3.62Å
877W95.8Very high95Very high36 Ų3643.7 Ų43.714%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-67.8131.9-179.8-179.6-105.5000112.2M872 M873 K882 W884 K894 L918M872-W877 PolarHBondContact O-N 3.41Å; M873-W877 HydrophobicContact CE-CB 4.4Å; M873-W877 HydrophobicContact CE-CD2 4.06Å; M873-W877 HydrophobicContact CE-CG 3.91Å; M873-W877 WeakPolarHBondContact O-CB 3.34Å; M873-W877 HydrophobicContact SD-CB 4.41Å; M873-W877 HydrophobicContact SD-CG 4.42Å; W877-K882 HydrophobicContact CH2-CB 3.84Å; W877-K882 WeakPolarHBondContact CH2-O 3.27Å; W877-K882 VanDerWaalsContact CZ2-CA 3.46Å; W877-K882 HydrophobicContact CZ2-CB 3.76Å; W877-K882 HydrophobicContact CZ2-CG 4.28Å; W877-K882 VanDerWaalsContact CZ3-C 3.4Å; W877-K882 WeakPolarHBondContact CZ3-O 3.49Å; W877-W884 AromaticContact CE3-CD2 3.55Å; W877-W884 HydrophobicContact CE3-CD2 3.55Å; W877-W884 AromaticContact CE3-CE2 3.38Å; W877-W884 AromaticContact CE3-CE3 3.95Å; W877-W884 HydrophobicContact CE3-CE3 3.95Å; W877-W884 HydrophobicContact CE3-CG 4.01Å; W877-W884 HydrophobicContact CE3-CH2 4.05Å; W877-W884 AromaticContact CE3-CZ2 3.65Å; W877-W884 HydrophobicContact CE3-CZ2 3.65Å; W877-W884 HydrophobicContact CE3-CZ3 4.19Å; W877-W884 AromaticContact CE3-NE1 3.74Å; W877-W884 AromaticContact CZ3-CD2 3.93Å; W877-W884 HydrophobicContact CZ3-CD2 3.93Å; W877-W884 AromaticContact CZ3-CE2 3.87Å; W877-W884 AromaticContact CZ3-CE3 3.84Å; W877-W884 HydrophobicContact CZ3-CE3 3.84Å; W877-W884 AromaticContact CZ3-CH2 3.65Å; W877-W884 HydrophobicContact CZ3-CH2 3.65Å; W877-W884 AromaticContact CZ3-CZ2 3.74Å; W877-W884 HydrophobicContact CZ3-CZ2 3.74Å; W877-W884 AromaticContact CZ3-CZ3 3.71Å; W877-W884 HydrophobicContact CZ3-CZ3 3.71Å; W877-K894 WeakPolarHBondContact O-CE 3.3Å; W877-K894 PolarHBondContact O-NZ 2.99Å; W877-L918 HydrophobicContact CH2-CD1 3.38Å; W877-L918 HydrophobicContact CZ2-CD1 4.1Å; W877-L918 HydrophobicContact CZ3-CD1 3.78Å
878D96.1Very high94.9Very high14 Ų1440.9 Ų40.98%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-102.3118.8170.2-166.8-93.8000110.8E880 D881 K882 I883 Y885 K894 H896D878-E880 VanDerWaalsContact C-N 3.29Å; D878-E880 PolarHBondContact O-N 3.32Å; D878-E880 WeakPolarHBondContact OD1-CB 3.24Å; D878-E880 PolarHBondContact OD1-N 3.16Å; D878-E880 VanDerWaalsContact OD1-N 3.08Å; D878-D881 HydrophobicContact CB-CB 4.38Å; D878-D881 PolarHBondContact OD1-N 3.04Å; D878-K882 WeakPolarHBondContact O-CA 3.45Å; D878-K882 PolarHBondContact O-N 3.16Å; D878-I883 PolarHBondContact N-O 3.15Å; D878-Y885 HydrophobicContact CB-CD2 3.84Å; D878-Y885 HydrophobicContact CB-CE2 3.84Å; D878-K894 HydrophobicContact CB-CD 4.09Å; D878-K894 IonicContact OD2-NZ 3.67Å; D878-H896 IonicContact OD2-CE1 2.82Å; D878-H896 PolarHBondContact OD2-CE1 3.32Å
879P93.3Very high94.7Very high93 Ų9342 Ų4260%0.60421%0.21SC*.THydrogen-bonded Turntrans-72.3-21.9-175.829.2-34.8000113.5
880E94.6Very high94.3Very high165 Ų16544.8 Ų44.877%0.77123%0.226SC*.THydrogen-bonded Turntrans-82.3-50.8-180-173.4180171.400110.7D878 K882D878-E880 VanDerWaalsContact C-N 3.29Å; D878-E880 PolarHBondContact O-N 3.32Å; D878-E880 WeakPolarHBondContact OD1-CB 3.24Å; D878-E880 PolarHBondContact OD1-N 3.16Å; D878-E880 VanDerWaalsContact OD1-N 3.08Å; E880-K882 VanDerWaalsContact C-N 3.33Å
881D95Very high94Very high31 Ų3143.5 Ų43.517%0.16623%0.225CC..THydrogen-bonded Turntrans-78.9-18178.2-80.5-30.4000113.3D878 I883 Y885 H896 Y925 K928D878-D881 HydrophobicContact CB-CB 4.38Å; D878-D881 PolarHBondContact OD1-N 3.04Å; D881-I883 HydrophobicContact CB-CG2 4.01Å; D881-Y885 HydrophobicContact CB-CE2 4.08Å; D881-Y885 WeakPolarHBondContact OD2-CE2 3.45Å; D881-Y885 PolarHBondContact OD2-OH 3.23Å; D881-H896 IonicContact OD2-ND1 3.77Å; D881-Y925 HydrophobicContact CB-CD2 4.17Å; D881-Y925 HydrophobicContact CB-CE2 4.15Å; D881-Y925 WeakPolarHBondContact O-CD2 3.27Å; D881-K928 IonicContact OD1-NZ 2.75Å; D881-K928 PolarHBondContact OD1-NZ 3.47Å
882K94.5Very high93.7Very high111 Ų11146.4 Ų46.448%0.48324%0.241SC..THydrogen-bonded Turntrans55.449-176.5-56.8-174.2179.7-175.30112.4W877 D878 E880W877-K882 HydrophobicContact CH2-CB 3.84Å; W877-K882 WeakPolarHBondContact CH2-O 3.27Å; W877-K882 VanDerWaalsContact CZ2-CA 3.46Å; W877-K882 HydrophobicContact CZ2-CB 3.76Å; W877-K882 HydrophobicContact CZ2-CG 4.28Å; W877-K882 VanDerWaalsContact CZ3-C 3.4Å; W877-K882 WeakPolarHBondContact CZ3-O 3.49Å; D878-K882 WeakPolarHBondContact O-CA 3.45Å; D878-K882 PolarHBondContact O-N 3.16Å; E880-K882 VanDerWaalsContact C-N 3.33Å
883I96.1Very high93.5Very high0 Ų053.2 Ų53.20%027%0.271CS..EExtended strand (participates in β ladder)trans-149.6163.9177.9-157.566.8000110D878 D881 Y885 N902 V903 V922 Y925D878-I883 PolarHBondContact N-O 3.15Å; D881-I883 HydrophobicContact CB-CG2 4.01Å; I883-Y885 HydrophobicContact CG2-CD1 4.42Å; I883-Y885 HydrophobicContact CG2-CD2 4.11Å; I883-Y885 HydrophobicContact CG2-CE1 3.88Å; I883-Y885 HydrophobicContact CG2-CE2 3.54Å; I883-Y885 VanDerWaalsContact CG2-CZ 3.41Å; I883-N902 HydrophobicContact CG1-CB 3.85Å; I883-V903 HydrophobicContact CD1-CG1 4.19Å; I883-V922 HydrophobicContact CD1-CB 4.4Å; I883-V922 HydrophobicContact CD1-CG1 3.96Å; I883-V922 HydrophobicContact CD1-CG2 4.01Å; I883-Y925 HydrophobicContact CB-CD1 4.05Å; I883-Y925 HydrophobicContact CB-CD2 4Å; I883-Y925 HydrophobicContact CB-CE1 4.19Å; I883-Y925 HydrophobicContact CB-CE2 4.14Å; I883-Y925 HydrophobicContact CB-CG 3.95Å; I883-Y925 HydrophobicContact CD1-CD1 3.79Å; I883-Y925 HydrophobicContact CD1-CE1 4.23Å; I883-Y925 HydrophobicContact CD1-CG 4.27Å; I883-Y925 HydrophobicContact CG1-CD1 3.71Å; I883-Y925 HydrophobicContact CG1-CE1 3.73Å; I883-Y925 HydrophobicContact CG1-CG 4.14Å; I883-Y925 HydrophobicContact CG2-CD1 4.47Å; I883-Y925 HydrophobicContact CG2-CD2 3.93Å; I883-Y925 HydrophobicContact CG2-CE1 4.19Å; I883-Y925 HydrophobicContact CG2-CE2 3.61Å; I883-Y925 HydrophobicContact CG2-CG 4.35Å
884W97.3Very high93.5Very high0 Ų053.5 Ų53.50%027%0.27CS..EExtended strand (participates in β ladder)trans-93.1144.6172.2-57.8-96.3000112.1V832 M872 M873 F876 W877 N902 P905 F911 L918 V922V832-W884 HydrophobicContact CG2-CB 3.54Å; V832-W884 HydrophobicContact CG2-CG 4.42Å; M872-W884 VanDerWaalsContact O-CD1 3.26Å; M872-W884 PolarHBondContact O-NE1 3.41Å; M873-W884 HydrophobicContact SD-CZ2 3.96Å; F876-W884 HydrophobicContact CB-CB 4.18Å; F876-W884 HydrophobicContact CB-CG 4.44Å; F876-W884 CarbonylContact O-C 3.56Å; F876-W884 VanDerWaalsContact O-CA 3.3Å; F876-W884 WeakPolarHBondContact O-CA 3.09Å; W877-W884 AromaticContact CE3-CD2 3.55Å; W877-W884 HydrophobicContact CE3-CD2 3.55Å; W877-W884 AromaticContact CE3-CE2 3.38Å; W877-W884 AromaticContact CE3-CE3 3.95Å; W877-W884 HydrophobicContact CE3-CE3 3.95Å; W877-W884 HydrophobicContact CE3-CG 4.01Å; W877-W884 HydrophobicContact CE3-CH2 4.05Å; W877-W884 AromaticContact CE3-CZ2 3.65Å; W877-W884 HydrophobicContact CE3-CZ2 3.65Å; W877-W884 HydrophobicContact CE3-CZ3 4.19Å; W877-W884 AromaticContact CE3-NE1 3.74Å; W877-W884 AromaticContact CZ3-CD2 3.93Å; W877-W884 HydrophobicContact CZ3-CD2 3.93Å; W877-W884 AromaticContact CZ3-CE2 3.87Å; W877-W884 AromaticContact CZ3-CE3 3.84Å; W877-W884 HydrophobicContact CZ3-CE3 3.84Å; W877-W884 AromaticContact CZ3-CH2 3.65Å; W877-W884 HydrophobicContact CZ3-CH2 3.65Å; W877-W884 AromaticContact CZ3-CZ2 3.74Å; W877-W884 HydrophobicContact CZ3-CZ2 3.74Å; W877-W884 AromaticContact CZ3-CZ3 3.71Å; W877-W884 HydrophobicContact CZ3-CZ3 3.71Å; W884-N902 WeakPolarHBondContact O-CB 3.39Å; W884-P905 HydrophobicContact CB-CG 3.9Å; W884-P905 HydrophobicContact CD2-CB 3.56Å; W884-P905 HydrophobicContact CD2-CG 3.63Å; W884-P905 HydrophobicContact CE3-CB 3.78Å; W884-P905 HydrophobicContact CE3-CG 3.94Å; W884-P905 HydrophobicContact CG-CB 4.03Å; W884-P905 HydrophobicContact CG-CG 3.63Å; W884-P905 HydrophobicContact CH2-CB 4.22Å; W884-P905 HydrophobicContact CZ2-CB 4.03Å; W884-P905 HydrophobicContact CZ3-CB 4.1Å; W884-F911 HydrophobicContact CH2-CD1 4.14Å; W884-F911 HydrophobicContact CZ2-CB 4.05Å; W884-F911 HydrophobicContact CZ2-CD1 4.08Å; W884-F911 HydrophobicContact CZ2-CG 4.32Å; W884-L918 HydrophobicContact CH2-CD1 3.92Å; W884-L918 HydrophobicContact CH2-CD2 4.1Å; W884-L918 HydrophobicContact CH2-CG 4.28Å; W884-L918 HydrophobicContact CZ2-CD1 4.4Å; W884-V922 HydrophobicContact CZ3-CG2 4.01Å
885Y97.7Very high93.6Very high5 Ų548.5 Ų48.52%0.0225%0.245CC..  trans-127.7154.2178.6-71.7-62.9000112.3F876 D878 D881 I883 K894 V895 H896 R897 N902 Y925F876-Y885 WeakPolarHBondContact CD1-O 3.24Å; F876-Y885 PolarHBondContact O-N 3.01Å; D878-Y885 HydrophobicContact CB-CD2 3.84Å; D878-Y885 HydrophobicContact CB-CE2 3.84Å; D881-Y885 HydrophobicContact CB-CE2 4.08Å; D881-Y885 WeakPolarHBondContact OD2-CE2 3.45Å; D881-Y885 PolarHBondContact OD2-OH 3.23Å; I883-Y885 HydrophobicContact CG2-CD1 4.42Å; I883-Y885 HydrophobicContact CG2-CD2 4.11Å; I883-Y885 HydrophobicContact CG2-CE1 3.88Å; I883-Y885 HydrophobicContact CG2-CE2 3.54Å; I883-Y885 VanDerWaalsContact CG2-CZ 3.41Å; Y885-K894 HydrophobicContact CD2-CB 4.34Å; Y885-K894 HydrophobicContact CD2-CD 4.25Å; Y885-K894 HydrophobicContact CG-CB 4.5Å; Y885-V895 WeakPolarHBondContact CD1-O 3.41Å; Y885-H896 AromaticContact CE2-ND1 3.56Å; Y885-R897 WeakPolarHBondContact CE1-O 3.19Å; Y885-N902 VanDerWaalsContact CD1-ND2 3.25Å; Y885-N902 WeakPolarHBondContact CD1-ND2 3.44Å; Y885-N902 VanDerWaalsContact CE1-ND2 3.29Å; Y885-N902 WeakPolarHBondContact CE1-ND2 3.41Å; Y885-Y925 WeakPolarHBondContact OH-CE2 3.34Å; Y885-Y925 PolarHBondContact OH-OH 3.17Å
886D96.3Very high93.6Very high2 Ų252.1 Ų52.11%0.01126%0.261CS..  trans-61.4157.4165.4-62.9-31.7000111.3R809 V830 P831 V832 K894 V895R809-D886 IonicContact CZ-OD1 3.1Å; R809-D886 IonicContact CZ-OD2 2.65Å; R809-D886 IonicContact NE-OD1 3.73Å; R809-D886 IonicContact NE-OD2 3.75Å; R809-D886 PolarHBondContact NE-OD2 3.38Å; R809-D886 IonicContact NH2-OD1 2.99Å; R809-D886 PolarHBondContact NH2-OD1 3.25Å; R809-D886 IonicContact NH2-OD2 2.82Å; R809-D886 PolarHBondContact NH2-OD2 2.73Å; V830-D886 WeakPolarHBondContact O-CA 3.37Å; P831-D886 VanDerWaalsContact CA-OD1 3.28Å; P831-D886 WeakPolarHBondContact CA-OD1 3.44Å; V832-D886 WeakPolarHBondContact CG1-OD1 3.49Å; V832-D886 PolarHBondContact N-OD1 2.91Å; D886-K894 CarbonylContact O-C 3.55Å; D886-K894 WeakPolarHBondContact O-CA 3.39Å; D886-V895 HydrophobicContact CB-CB 4.4Å; D886-V895 HydrophobicContact CB-CG2 4.37Å; D886-V895 PolarHBondContact O-N 2.78Å
887I94.9Very high93.5Very high4 Ų455.2 Ų55.22%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-113130.8178.5-53.7156.2000109.8F777 L787 L829 V830 L875 F876F777-I887 HydrophobicContact CE2-CG2 3.82Å; F777-I887 HydrophobicContact CZ-CG2 4.01Å; L787-I887 HydrophobicContact CD1-CD1 4.31Å; L829-I887 CarbonylContact C-O 3.56Å; L829-I887 WeakPolarHBondContact CA-O 3.26Å; V830-I887 HydrophobicContact CB-CB 4.13Å; V830-I887 HydrophobicContact CB-CD1 4.47Å; V830-I887 HydrophobicContact CG2-CB 4.49Å; V830-I887 PolarHBondContact N-O 2.68Å; V830-I887 PolarHBondContact O-N 3.13Å; L875-I887 HydrophobicContact CB-CD1 4.5Å; L875-I887 HydrophobicContact CD1-CD1 4.25Å; L875-I887 HydrophobicContact CD2-CD1 3.28Å; L875-I887 HydrophobicContact CG-CD1 3.39Å; L875-I887 HydrophobicContact CG-CG1 4.46Å; F876-I887 HydrophobicContact CD1-CD1 4.04Å; F876-I887 HydrophobicContact CD1-CG1 4.27Å; F876-I887 HydrophobicContact CD2-CD1 4.15Å; F876-I887 HydrophobicContact CE1-CD1 3.71Å; F876-I887 HydrophobicContact CE1-CG1 4.16Å; F876-I887 HydrophobicContact CE2-CD1 3.84Å; F876-I887 HydrophobicContact CG-CD1 4.24Å; F876-I887 HydrophobicContact CZ-CD1 3.62Å
888D92.3Very high93.4Very high13 Ų1354.4 Ų54.47%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-85.9118.5174.1-176.2-51000110.3R825 L829 D890 T891 N892 K893 V895R825-D888 IonicContact CZ-OD1 3.56Å; R825-D888 IonicContact CZ-OD2 3.02Å; R825-D888 IonicContact NH1-OD2 2.88Å; R825-D888 IonicContact NH2-OD1 3.83Å; R825-D888 PolarHBondContact NH2-OD1 3.32Å; R825-D888 IonicContact NH2-OD2 3.66Å; R825-D888 PolarHBondContact NH2-OD2 2.76Å; L829-D888 HydrophobicContact CD2-CB 4.16Å; D888-D890 VanDerWaalsContact C-N 3.31Å; D888-D890 PolarHBondContact O-N 3.04Å; D888-D890 WeakPolarHBondContact OD1-CA 3.24Å; D888-D890 WeakPolarHBondContact OD1-CB 3.48Å; D888-D890 PolarHBondContact OD1-N 2.81Å; D888-T891 WeakPolarHBondContact CB-OG1 3.34Å; D888-T891 PolarHBondContact O-N 2.76Å; D888-T891 PolarHBondContact OD1-N 3.46Å; D888-T891 PolarHBondContact OD1-OG1 2.77Å; D888-N892 WeakPolarHBondContact O-CA 3.09Å; D888-N892 PolarHBondContact O-N 2.99Å; D888-K893 PolarHBondContact N-O 3.24Å; D888-V895 HydrophobicContact CB-CG2 4.04Å
889L90.7Very high93.4Very high39 Ų3954.1 Ų54.120%0.20427%0.267CS..THydrogen-bonded Turntrans-73.6-19.2-177.4-69.3175.9000114.1I775 F777 R828 V830I775-L889 HydrophobicContact CD1-CD1 3.51Å; I775-L889 HydrophobicContact CD1-CD2 4.07Å; I775-L889 HydrophobicContact CD1-CG 4.42Å; F777-L889 HydrophobicContact CD2-CD2 3.72Å; F777-L889 HydrophobicContact CE2-CD2 4.11Å; R828-L889 WeakPolarHBondContact O-CB 3.4Å; R828-L889 PolarHBondContact O-N 2.91Å; V830-L889 HydrophobicContact CG2-CD1 4.21Å; V830-L889 HydrophobicContact CG2-CD2 3.48Å; V830-L889 VanDerWaalsContact CG2-CD2 3.48Å; V830-L889 HydrophobicContact CG2-CG 3.83Å
890D88Confident93.5Very high78 Ų7849.7 Ų49.742%0.41724%0.239SC..THydrogen-bonded Turntrans-80-31.6177.4-65.9-20.4000110.7R825 R828 D888R825-D890 IonicContact CZ-OD2 3.81Å; R825-D890 IonicContact NH1-OD2 2.72Å; R825-D890 PolarHBondContact NH1-OD2 3.45Å; R825-D890 VanDerWaalsContact NH2-CG 3.33Å; R825-D890 IonicContact NH2-OD2 3.18Å; R825-D890 PolarHBondContact NH2-OD2 3.45Å; R828-D890 IonicContact CZ-OD1 2.81Å; R828-D890 IonicContact NE-OD1 3.08Å; R828-D890 PolarHBondContact NE-OD1 2.8Å; R828-D890 IonicContact NH2-OD1 3.34Å; R828-D890 PolarHBondContact NH2-OD1 2.94Å; D888-D890 VanDerWaalsContact C-N 3.31Å; D888-D890 PolarHBondContact O-N 3.04Å; D888-D890 WeakPolarHBondContact OD1-CA 3.24Å; D888-D890 WeakPolarHBondContact OD1-CB 3.48Å; D888-D890 PolarHBondContact OD1-N 2.81Å
891T88.6Confident93.5Very high78 Ų7842.6 Ų42.648%0.47921%0.207SC..THydrogen-bonded Turntrans-107.9-12.5-177.4640000114.2D888 K893D888-T891 WeakPolarHBondContact CB-OG1 3.34Å; D888-T891 PolarHBondContact O-N 2.76Å; D888-T891 PolarHBondContact OD1-N 3.46Å; D888-T891 PolarHBondContact OD1-OG1 2.77Å; T891-K893 PolarHBondContact O-N 2.69Å; T891-K893 PolarHBondContact OG1-N 3.25Å
892N88.3Confident93.6Very high91 Ų9141.1 Ų41.149%0.48720%0.199SC..THydrogen-bonded Turntrans51.431.8-167.8-69.4-19.5000113.5F777 D888F777-N892 WeakPolarHBondContact CE2-OD1 3.47Å; F777-N892 HydrophobicContact CZ-CB 4.35Å; D888-N892 WeakPolarHBondContact O-CA 3.09Å; D888-N892 PolarHBondContact O-N 2.99Å
893K90.3Very high93.6Very high147 Ų14736 Ų3664%0.63918%0.177SC*.EExtended strand (participates in β ladder)trans-116.6155.3-179.2-69.2179-177.8-176.50111.6D888 T891D888-K893 PolarHBondContact N-O 3.24Å; T891-K893 PolarHBondContact O-N 2.69Å; T891-K893 PolarHBondContact OG1-N 3.25Å
894K94.4Very high93.7Very high53 Ų5336.2 Ų36.223%0.2318%0.178CC..EExtended strand (participates in β ladder)trans-65.7141.3170.6-64.1-176-171.5120.60110.4L875 W877 D878 Y885 D886 H896L875-K894 WeakPolarHBondContact O-CE 3.48Å; W877-K894 WeakPolarHBondContact O-CE 3.3Å; W877-K894 PolarHBondContact O-NZ 2.99Å; D878-K894 HydrophobicContact CB-CD 4.09Å; D878-K894 IonicContact OD2-NZ 3.67Å; Y885-K894 HydrophobicContact CD2-CB 4.34Å; Y885-K894 HydrophobicContact CD2-CD 4.25Å; Y885-K894 HydrophobicContact CG-CB 4.5Å; D886-K894 CarbonylContact O-C 3.55Å; D886-K894 WeakPolarHBondContact O-CA 3.39Å; K894-H896 PolarHBondContact O-CD2 3.32Å; K894-H896 VanDerWaalsContact O-CD2 3.24Å; K894-H896 PolarHBondContact O-N 2.83Å
895V93.1Very high93.6Very high27 Ų2736.2 Ų36.216%0.16418%0.178CC..  trans-8791.3173.6-176.30000108.4L829 Y885 D886 D888 R897L829-V895 HydrophobicContact CD2-CG2 3.79Å; Y885-V895 WeakPolarHBondContact CD1-O 3.41Å; D886-V895 HydrophobicContact CB-CB 4.4Å; D886-V895 HydrophobicContact CB-CG2 4.37Å; D886-V895 PolarHBondContact O-N 2.78Å; D888-V895 HydrophobicContact CB-CG2 4.04Å; V895-R897 HydrophobicContact CG1-CB 4.4Å; V895-R897 HydrophobicContact CG1-CG 4.45Å; V895-R897 PolarHBondContact O-N 3.43Å
896H93.4Very high93.5Very high108 Ų10836 Ų3650%0.518%0.178SC..  trans-71.267.4-179.5-66.3-99.3000112.3D878 D881 Y885 K894D878-H896 IonicContact OD2-CE1 2.82Å; D878-H896 PolarHBondContact OD2-CE1 3.32Å; D881-H896 IonicContact OD2-ND1 3.77Å; Y885-H896 AromaticContact CE2-ND1 3.56Å; K894-H896 PolarHBondContact O-CD2 3.32Å; K894-H896 VanDerWaalsContact O-CD2 3.24Å; K894-H896 PolarHBondContact O-N 2.83Å
897R92Very high93.4Very high65 Ų6537.2 Ų37.225%0.24518%0.182CC..SBendtrans-133.2143.8173.6-73.8-173.8177.3179-0.9109.7D819 Y885 V895 Y899 N902D819-R897 IonicContact OD1-CZ 3.55Å; D819-R897 VanDerWaalsContact OD1-CZ 3.23Å; D819-R897 IonicContact OD1-NH1 3.51Å; D819-R897 PolarHBondContact OD1-NH1 3.04Å; D819-R897 IonicContact OD1-NH2 2.7Å; D819-R897 PolarHBondContact OD1-NH2 2.67Å; D819-R897 IonicContact OD2-NH2 3.97Å; D819-R897 PolarHBondContact OD2-NH2 3.49Å; Y885-R897 WeakPolarHBondContact CE1-O 3.19Å; V895-R897 HydrophobicContact CG1-CB 4.4Å; V895-R897 HydrophobicContact CG1-CG 4.45Å; V895-R897 PolarHBondContact O-N 3.43Å; R897-Y899 HydrophobicContact CB-CD2 4.23Å; R897-Y899 HydrophobicContact CB-CE2 3.61Å; R897-Y899 PolarHBondContact O-N 2.95Å; R897-N902 PolarHBondContact O-ND2 3.14Å; R897-N902 VanDerWaalsContact O-ND2 3.09Å
898Y95Very high93.4Very high19 Ų1937.1 Ų37.18%0.07518%0.182CC..  trans-66.5120.3172.7172.2-89.5000109.7Y925 L926 T929 A931 P939 L942Y898-Y925 AromaticContact CD2-CE1 3.95Å; Y898-Y925 HydrophobicContact CD2-CE1 3.95Å; Y898-L926 HydrophobicContact CE2-CD2 3.69Å; Y898-T929 HydrophobicContact CD2-CG2 4.15Å; Y898-A931 HydrophobicContact CD2-CB 4.33Å; Y898-A931 HydrophobicContact CE1-CB 4.31Å; Y898-A931 HydrophobicContact CE2-CB 3.51Å; Y898-A931 VanDerWaalsContact CZ-CB 3.5Å; Y898-A931 WeakPolarHBondContact OH-CB 3.31Å; Y898-P939 WeakPolarHBondContact CE1-O 3.32Å; Y898-P939 PolarHBondContact OH-O 2.93Å; Y898-L942 HydrophobicContact CD1-CB 4.19Å; Y898-L942 HydrophobicContact CD1-CD1 3.89Å; Y898-L942 HydrophobicContact CD1-CG 3.53Å; Y898-L942 HydrophobicContact CE1-CG 3.97Å; Y898-L942 HydrophobicContact CG-CD1 3.87Å; Y898-L942 HydrophobicContact CG-CG 4.06Å
899Y95.3Very high93.5Very high7 Ų742 Ų423%0.02720%0.199CC..BIsolated β-bridgetrans-134.7143.2159.7-64-70.3000108.1S808 R809 R897 S901 N902 N940 S941S808-Y899 VanDerWaalsContact C-OH 3.27Å; S808-Y899 PolarHBondContact O-OH 3.41Å; S808-Y899 WeakPolarHBondContact OG-CE1 3.39Å; S808-Y899 PolarHBondContact OG-OH 3.03Å; R809-Y899 VanDerWaalsContact CA-OH 3.3Å; R809-Y899 WeakPolarHBondContact CA-OH 3.34Å; R809-Y899 HydrophobicContact CB-CD1 3.94Å; R809-Y899 HydrophobicContact CB-CD2 4.39Å; R809-Y899 HydrophobicContact CB-CE1 3.69Å; R809-Y899 HydrophobicContact CB-CE2 4.14Å; R809-Y899 HydrophobicContact CB-CG 4.3Å; R809-Y899 HydrophobicContact CG-CD1 4.26Å; R809-Y899 HydrophobicContact CG-CD2 3.97Å; R809-Y899 HydrophobicContact CG-CE1 4.32Å; R809-Y899 HydrophobicContact CG-CE2 4.01Å; R809-Y899 HydrophobicContact CG-CG 4.1Å; R809-Y899 PolarHBondContact N-OH 2.93Å; R897-Y899 HydrophobicContact CB-CD2 4.23Å; R897-Y899 HydrophobicContact CB-CE2 3.61Å; R897-Y899 PolarHBondContact O-N 2.95Å; Y899-S901 WeakPolarHBondContact CB-OG 3.4Å; Y899-S901 PolarHBondContact O-N 2.83Å; Y899-S901 VanDerWaalsContact O-N 3.15Å; Y899-N902 WeakPolarHBondContact O-CB 3.26Å; Y899-N902 PolarHBondContact O-N 3.45Å; Y899-N902 PolarHBondContact O-OD1 3.49Å; Y899-N940 WeakPolarHBondContact CA-O 3.41Å; Y899-S941 WeakPolarHBondContact CE1-OG 3.21Å
900L95.2Very high93.6Very high1 Ų140.1 Ų40.11%0.00519%0.189CC..G310 helixtrans-65-21179.6-170.855.9000111.9N902 V903 L938 N940 S958 L962L900-N902 PolarHBondContact O-N 3.49Å; L900-V903 HydrophobicContact CD1-CG2 4.09Å; L900-V903 WeakPolarHBondContact O-CG2 3.39Å; L900-V903 PolarHBondContact O-N 3.5Å; L900-L938 HydrophobicContact CD1-CB 4.34Å; L900-L938 HydrophobicContact CD1-CD2 4.06Å; L900-L938 HydrophobicContact CD2-CB 4.15Å; L900-N940 PolarHBondContact N-O 3.26Å; L900-S958 VanDerWaalsContact CD2-CB 3.41Å; L900-L962 HydrophobicContact CD1-CD2 4.07Å
901S95.5Very high93.7Very high15 Ų1536.7 Ų36.711%0.10517%0.171CC..G310 helixtrans-58.9-23170.449.60000113.9R809 Y899 V903 V904R809-S901 VanDerWaalsContact CZ-OG 3.26Å; R809-S901 PolarHBondContact NE-OG 3.17Å; R809-S901 PolarHBondContact NH1-OG 2.87Å; Y899-S901 WeakPolarHBondContact CB-OG 3.4Å; Y899-S901 PolarHBondContact O-N 2.83Å; Y899-S901 VanDerWaalsContact O-N 3.15Å; S901-V903 PolarHBondContact O-N 2.92Å; S901-V903 VanDerWaalsContact O-N 3.1Å; S901-V904 VanDerWaalsContact O-CB 3.31Å; S901-V904 WeakPolarHBondContact O-CB 3.48Å; S901-V904 VanDerWaalsContact O-CG2 3.27Å; S901-V904 WeakPolarHBondContact O-CG2 3.38Å; S901-V904 PolarHBondContact O-N 3.34Å
902N96.4Very high93.4Very high1 Ų136 Ų361%0.00516%0.164CC..G310 helixtrans-61.9-19.7179.7-64.412.1000112.7I883 W884 Y885 R897 Y899 L900I883-N902 HydrophobicContact CG1-CB 3.85Å; W884-N902 WeakPolarHBondContact O-CB 3.39Å; Y885-N902 VanDerWaalsContact CD1-ND2 3.25Å; Y885-N902 WeakPolarHBondContact CD1-ND2 3.44Å; Y885-N902 VanDerWaalsContact CE1-ND2 3.29Å; Y885-N902 WeakPolarHBondContact CE1-ND2 3.41Å; R897-N902 PolarHBondContact O-ND2 3.14Å; R897-N902 VanDerWaalsContact O-ND2 3.09Å; Y899-N902 WeakPolarHBondContact O-CB 3.26Å; Y899-N902 PolarHBondContact O-N 3.45Å; Y899-N902 PolarHBondContact O-OD1 3.49Å; L900-N902 PolarHBondContact O-N 3.49Å
903V95.6Very high92.8Very high2 Ų237.9 Ų37.91%0.01217%0.174CC..G310 helixtrans-93.7-4.2177.4-50.70000113.3I883 L900 S901 P905 L906 V922 L926 L962I883-V903 HydrophobicContact CD1-CG1 4.19Å; L900-V903 HydrophobicContact CD1-CG2 4.09Å; L900-V903 WeakPolarHBondContact O-CG2 3.39Å; L900-V903 PolarHBondContact O-N 3.5Å; S901-V903 PolarHBondContact O-N 2.92Å; S901-V903 VanDerWaalsContact O-N 3.1Å; V903-P905 VanDerWaalsContact C-CD 3.44Å; V903-P905 VanDerWaalsContact C-N 3.33Å; V903-L906 WeakPolarHBondContact O-CA 3.46Å; V903-L906 WeakPolarHBondContact O-CB 3Å; V903-L906 PolarHBondContact O-N 3.45Å; V903-V922 HydrophobicContact CG1-CG1 3.9Å; V903-L926 HydrophobicContact CG1-CD1 4.43Å; V903-L926 HydrophobicContact CG1-CD2 4.11Å; V903-L962 HydrophobicContact CB-CD1 4.17Å; V903-L962 HydrophobicContact CG1-CD1 4.23Å; V903-L962 HydrophobicContact CG2-CB 3.99Å; V903-L962 HydrophobicContact CG2-CD1 3.87Å; V903-L962 HydrophobicContact CG2-CG 4.49Å
904V96.4Very high92.4Very high5 Ų534.7 Ų34.73%0.0316%0.164CC..Hα-helixtrans-59.8-35-178.6175.80000113D833 A836 I837 S901 L906 Y907 A908 M961D833-V904 HydrophobicContact CB-CB 4.02Å; D833-V904 HydrophobicContact CB-CG1 4.01Å; D833-V904 HydrophobicContact CB-CG2 3.94Å; A836-V904 HydrophobicContact CB-CG1 4Å; I837-V904 HydrophobicContact CG1-CG1 4.21Å; S901-V904 VanDerWaalsContact O-CB 3.31Å; S901-V904 WeakPolarHBondContact O-CB 3.48Å; S901-V904 VanDerWaalsContact O-CG2 3.27Å; S901-V904 WeakPolarHBondContact O-CG2 3.38Å; S901-V904 PolarHBondContact O-N 3.34Å; V904-L906 PolarHBondContact O-N 3.02Å; V904-Y907 WeakPolarHBondContact O-CB 3.4Å; V904-Y907 PolarHBondContact O-N 2.94Å; V904-A908 WeakPolarHBondContact O-CB 3.35Å; V904-A908 PolarHBondContact O-N 2.8Å; V904-M961 HydrophobicContact CG1-SD 4.31Å; V904-M961 HydrophobicContact CG2-CE 4.11Å; V904-M961 HydrophobicContact CG2-SD 4.14Å
905P96.4Very high92.1Very high0 Ų034.6 Ų34.60%017%0.168CC..Hα-helixtrans-54.1-33.5170.6-28.536.6000113.6V832 A836 M872 W884 V903 A908 R909 C910 F911V832-P905 HydrophobicContact CG2-CG 3.65Å; A836-P905 HydrophobicContact CB-CB 4.33Å; A836-P905 HydrophobicContact CB-CG 3.95Å; M872-P905 HydrophobicContact SD-CG 4.32Å; W884-P905 HydrophobicContact CB-CG 3.9Å; W884-P905 HydrophobicContact CD2-CB 3.56Å; W884-P905 HydrophobicContact CD2-CG 3.63Å; W884-P905 HydrophobicContact CE3-CB 3.78Å; W884-P905 HydrophobicContact CE3-CG 3.94Å; W884-P905 HydrophobicContact CG-CB 4.03Å; W884-P905 HydrophobicContact CG-CG 3.63Å; W884-P905 HydrophobicContact CH2-CB 4.22Å; W884-P905 HydrophobicContact CZ2-CB 4.03Å; W884-P905 HydrophobicContact CZ3-CB 4.1Å; V903-P905 VanDerWaalsContact C-CD 3.44Å; V903-P905 VanDerWaalsContact C-N 3.33Å; P905-A908 PolarHBondContact O-N 3.48Å; P905-R909 PolarHBondContact O-N 2.98Å; P905-C910 PolarHBondContact O-N 2.8Å; P905-F911 WeakPolarHBondContact O-CD1 3.48Å; P905-F911 VanDerWaalsContact O-CE1 3.26Å; P905-F911 WeakPolarHBondContact O-CE1 3.41Å
906L94.5Very high91.9Very high2 Ų235.1 Ų35.11%0.0117%0.17CC..Hα-helixtrans-64-43.3176.5-16967.1000112V903 V904 F911 R919 V922 L966V903-L906 WeakPolarHBondContact O-CA 3.46Å; V903-L906 WeakPolarHBondContact O-CB 3Å; V903-L906 PolarHBondContact O-N 3.45Å; V904-L906 PolarHBondContact O-N 3.02Å; L906-F911 HydrophobicContact CD1-CE1 4.07Å; L906-F911 HydrophobicContact CD1-CZ 4.03Å; L906-R919 HydrophobicContact CD1-CG 3.81Å; L906-R919 HydrophobicContact CD2-CG 4.32Å; L906-V922 HydrophobicContact CD2-CG1 4.34Å; L906-L966 HydrophobicContact CD2-CD2 3.71Å; L906-L966 HydrophobicContact CD2-CG 4Å
907Y94.5Very high91.8Very high27 Ų2736.6 Ų36.611%0.10618%0.177CC..Hα-helixtrans-64.7-46.3172.9163.3-100000111.9Y689 F737 V904 R909 M961 E964Y689-Y907 WeakPolarHBondContact CE1-OH 3.47Å; Y689-Y907 PolarHBondContact OH-OH 3.03Å; F737-Y907 AromaticContact CE1-CE1 3.85Å; F737-Y907 HydrophobicContact CE1-CE1 3.85Å; F737-Y907 HydrophobicContact CZ-CE1 4.39Å; V904-Y907 WeakPolarHBondContact O-CB 3.4Å; V904-Y907 PolarHBondContact O-N 2.94Å; Y907-R909 PolarHBondContact O-N 3.23Å; Y907-M961 WeakPolarHBondContact CB-O 3.39Å; Y907-M961 HydrophobicContact CD1-CB 4.46Å; Y907-M961 HydrophobicContact CD1-CG 3.97Å; Y907-M961 HydrophobicContact CD1-SD 4Å; Y907-M961 HydrophobicContact CD2-CB 4.23Å; Y907-M961 HydrophobicContact CD2-CG 4.07Å; Y907-M961 HydrophobicContact CE1-CG 4.3Å; Y907-M961 HydrophobicContact CE1-SD 4.31Å; Y907-M961 HydrophobicContact CE2-CG 4.37Å; Y907-M961 HydrophobicContact CG-CB 3.95Å; Y907-M961 HydrophobicContact CG-CG 3.85Å; Y907-M961 HydrophobicContact CG-SD 4.43Å; Y907-E964 HydrophobicContact CD2-CB 3.95Å; Y907-E964 HydrophobicContact CE2-CB 4.35Å
908A95Very high91.8Very high1 Ų134.2 Ų34.21%0.00817%0.17CC..Hα-helixtrans-65.1-18.6-177.700000113.6A836 A840 V904 P905 C910A836-A908 HydrophobicContact CB-CB 3.9Å; A836-A908 VanDerWaalsContact O-CB 3.22Å; A836-A908 WeakPolarHBondContact O-CB 3.27Å; A840-A908 HydrophobicContact CB-CB 3.93Å; V904-A908 WeakPolarHBondContact O-CB 3.35Å; V904-A908 PolarHBondContact O-N 2.8Å; P905-A908 PolarHBondContact O-N 3.48Å; A908-C910 HydrophobicContact CB-CB 4.14Å; A908-C910 PolarHBondContact O-N 3.43Å
909R94.3Very high91.7Very high115 Ų11533.5 Ų33.543%0.43417%0.167SC..THydrogen-bonded Turntrans60.126.2-168.9-56.8-174.4178.6-171-4.5113.2Y865 P905 Y907 F911Y865-R909 PolarHBondContact OH-O 2.92Å; P905-R909 PolarHBondContact O-N 2.98Å; Y907-R909 PolarHBondContact O-N 3.23Å; R909-F911 VanDerWaalsContact C-N 3.31Å; R909-F911 VanDerWaalsContact CA-CE1 3.45Å; R909-F911 HydrophobicContact CB-CZ 4.49Å; R909-F911 PolarHBondContact O-N 2.94Å
910C93.2Very high91.6Very high0 Ų037.1 Ų37.10%018%0.183CC..  trans-88.365.6-175.3-1670000111.9C839 G868 M872 P905 A908C839-C910 HydrophobicContact CB-CB 3.69Å; C839-C910 WeakPolarHBondContact CB-SG 3.46Å; C839-C910 WeakPolarHBondContact SG-CB 3.28Å; C839-C910 CovalentContact SG-SG 2.02Å; C839-C910 PolarHBondContact SG-SG 2.86Å; G868-C910 PolarHBondContact O-SG 3.27Å; M872-C910 VanDerWaalsContact CB-O 3.28Å; M872-C910 WeakPolarHBondContact CB-O 3.37Å; M872-C910 HydrophobicContact CG-CB 3.98Å; M872-C910 WeakPolarHBondContact CG-SG 3.45Å; P905-C910 PolarHBondContact O-N 2.8Å; A908-C910 HydrophobicContact CB-CB 4.14Å; A908-C910 PolarHBondContact O-N 3.43Å
911F91.2Very high91.5Very high7 Ų737.8 Ų37.83%0.03119%0.187CC..SBendtrans-158.7158.1178.246.4-93.6000110K869 M873 W884 P905 L906 R909 D914 L918K869-F911 WeakPolarHBondContact CD-O 3.36Å; M873-F911 HydrophobicContact CG-CB 4.22Å; M873-F911 HydrophobicContact SD-CB 3.7Å; W884-F911 HydrophobicContact CH2-CD1 4.14Å; W884-F911 HydrophobicContact CZ2-CB 4.05Å; W884-F911 HydrophobicContact CZ2-CD1 4.08Å; W884-F911 HydrophobicContact CZ2-CG 4.32Å; P905-F911 WeakPolarHBondContact O-CD1 3.48Å; P905-F911 VanDerWaalsContact O-CE1 3.26Å; P905-F911 WeakPolarHBondContact O-CE1 3.41Å; L906-F911 HydrophobicContact CD1-CE1 4.07Å; L906-F911 HydrophobicContact CD1-CZ 4.03Å; R909-F911 VanDerWaalsContact C-N 3.31Å; R909-F911 VanDerWaalsContact CA-CE1 3.45Å; R909-F911 HydrophobicContact CB-CZ 4.49Å; R909-F911 PolarHBondContact O-N 2.94Å; F911-D914 HydrophobicContact CE2-CB 4.04Å; F911-L918 HydrophobicContact CB-CD2 4.22Å; F911-L918 HydrophobicContact CD1-CD2 4.07Å; F911-L918 HydrophobicContact CD2-CD2 3.28Å; F911-L918 HydrophobicContact CE1-CD2 4.32Å; F911-L918 HydrophobicContact CE2-CD2 3.57Å; F911-L918 HydrophobicContact CG-CD2 3.56Å; F911-L918 HydrophobicContact CZ-CD2 4.08Å
912D81.9Confident91.5Very high62 Ų6237.1 Ų37.133%0.33218%0.182SC..SBendtrans-80.7147.6174.1-66.5-38.2000111.2K869K869-D912 WeakPolarHBondContact CE-OD1 3.28Å; K869-D912 IonicContact NZ-OD1 2.73Å; K869-D912 PolarHBondContact NZ-OD1 3.27Å
913N75.9Confident91.4Very high131 Ų13137.2 Ų37.270%0.70118%0.183SC*.SBendtrans56.188177.5-57.5-39.4000113.5T915N913-T915 VanDerWaalsContact C-N 3.27Å; N913-T915 HydrophobicContact CB-CG2 4.06Å; N913-T915 WeakPolarHBondContact O-CG2 3.46Å; N913-T915 PolarHBondContact O-N 2.99Å; N913-T915 PolarHBondContact O-OG1 3.49Å
914D81.9Confident91.4Very high80 Ų8040.7 Ų40.743%0.42820%0.201SC..  trans-68.381.9176.8-1656.6000112.3F911 R919F911-D914 HydrophobicContact CE2-CB 4.04Å; D914-R919 VanDerWaalsContact CG-NH2 3.33Å; D914-R919 IonicContact OD1-CZ 2.73Å; D914-R919 IonicContact OD1-NH1 3.91Å; D914-R919 PolarHBondContact OD1-NH1 3.11Å; D914-R919 IonicContact OD1-NH2 3.46Å; D914-R919 PolarHBondContact OD1-NH2 2.9Å; D914-R919 IonicContact OD2-NH2 3.72Å; D914-R919 PolarHBondContact OD2-NH2 3.42Å; D914-R919 VanDerWaalsContact OD2-NH2 3.16Å
915T86.9Confident91.5Very high52 Ų5240.8 Ų40.832%0.31920%0.201SC..  trans-108.4152.8-170.352.50000112N913 E917 L918 R919N913-T915 VanDerWaalsContact C-N 3.27Å; N913-T915 HydrophobicContact CB-CG2 4.06Å; N913-T915 WeakPolarHBondContact O-CG2 3.46Å; N913-T915 PolarHBondContact O-N 2.99Å; N913-T915 PolarHBondContact O-OG1 3.49Å; T915-E917 WeakPolarHBondContact CB-OE2 3.16Å; T915-E917 PolarHBondContact O-N 3.32Å; T915-L918 PolarHBondContact O-N 3.44Å; T915-L918 PolarHBondContact OG1-N 2.88Å; T915-R919 PolarHBondContact O-NH1 3.04Å
916D89.6Confident91.5Very high38 Ų3840.8 Ų40.820%0.20320%0.201CC..Hα-helixtrans-68.8-27.5172.5-71.3-31.2000111.2L918 R919 K920 S969 S970 N971 I974D916-L918 PolarHBondContact O-N 3.29Å; D916-R919 PolarHBondContact O-N 3.03Å; D916-K920 VanDerWaalsContact O-CB 3.3Å; D916-K920 WeakPolarHBondContact O-CB 3.44Å; D916-K920 PolarHBondContact O-N 3.18Å; D916-S969 WeakPolarHBondContact OD1-CA 3.42Å; D916-S969 WeakPolarHBondContact OD1-CB 3.46Å; D916-S969 PolarHBondContact OD1-OG 3.19Å; D916-S970 PolarHBondContact OD1-N 3.48Å; D916-S970 PolarHBondContact OD2-OG 3.13Å; D916-N971 HydrophobicContact CB-CB 4.09Å; D916-N971 WeakPolarHBondContact OD2-CB 3.11Å; D916-N971 PolarHBondContact OD2-N 3.04Å; D916-I974 HydrophobicContact CB-CD1 4.05Å; D916-I974 VanDerWaalsContact O-CD1 3.3Å; D916-I974 WeakPolarHBondContact O-CD1 3.11Å
917E90.7Very high91.5Very high138 Ų13845.2 Ų45.265%0.64522%0.222SC*.Hα-helixtrans-59.9-42.4174.4-73.173.8-164.600112.5T915 K920 S921T915-E917 WeakPolarHBondContact CB-OE2 3.16Å; T915-E917 PolarHBondContact O-N 3.32Å; E917-K920 PolarHBondContact O-N 3.04Å; E917-S921 PolarHBondContact O-N 3.04Å
918L91.8Very high91.5Very high16 Ų1650.9 Ų50.98%0.08425%0.247CC..Hα-helixtrans-64.8-44.4176.7179.463000111.3W877 W884 F911 T915 D916 K920 S921 V922W877-L918 HydrophobicContact CH2-CD1 3.38Å; W877-L918 HydrophobicContact CZ2-CD1 4.1Å; W877-L918 HydrophobicContact CZ3-CD1 3.78Å; W884-L918 HydrophobicContact CH2-CD1 3.92Å; W884-L918 HydrophobicContact CH2-CD2 4.1Å; W884-L918 HydrophobicContact CH2-CG 4.28Å; W884-L918 HydrophobicContact CZ2-CD1 4.4Å; F911-L918 HydrophobicContact CB-CD2 4.22Å; F911-L918 HydrophobicContact CD1-CD2 4.07Å; F911-L918 HydrophobicContact CD2-CD2 3.28Å; F911-L918 HydrophobicContact CE1-CD2 4.32Å; F911-L918 HydrophobicContact CE2-CD2 3.57Å; F911-L918 HydrophobicContact CG-CD2 3.56Å; F911-L918 HydrophobicContact CZ-CD2 4.08Å; T915-L918 PolarHBondContact O-N 3.44Å; T915-L918 PolarHBondContact OG1-N 2.88Å; D916-L918 PolarHBondContact O-N 3.29Å; L918-K920 VanDerWaalsContact C-N 3.31Å; L918-K920 PolarHBondContact O-N 2.9Å; L918-S921 PolarHBondContact O-N 3.3Å; L918-S921 PolarHBondContact O-OG 3.4Å; L918-V922 WeakPolarHBondContact O-CG2 2.89Å; L918-V922 PolarHBondContact O-N 3.18Å; L918-V922 VanDerWaalsContact O-N 3.08Å
919R93.3Very high91.5Very high3 Ų352.8 Ų52.81%0.01126%0.259CS..Hα-helixtrans-63.9-39.3176-74.7-178.6-177.2854.1111.9L906 D914 T915 D916 V922 L923 G965 L966 I974L906-R919 HydrophobicContact CD1-CG 3.81Å; L906-R919 HydrophobicContact CD2-CG 4.32Å; D914-R919 VanDerWaalsContact CG-NH2 3.33Å; D914-R919 IonicContact OD1-CZ 2.73Å; D914-R919 IonicContact OD1-NH1 3.91Å; D914-R919 PolarHBondContact OD1-NH1 3.11Å; D914-R919 IonicContact OD1-NH2 3.46Å; D914-R919 PolarHBondContact OD1-NH2 2.9Å; D914-R919 IonicContact OD2-NH2 3.72Å; D914-R919 PolarHBondContact OD2-NH2 3.42Å; D914-R919 VanDerWaalsContact OD2-NH2 3.16Å; T915-R919 PolarHBondContact O-NH1 3.04Å; D916-R919 PolarHBondContact O-N 3.03Å; R919-V922 PolarHBondContact O-N 3.43Å; R919-L923 PolarHBondContact O-N 3.26Å; R919-G965 PolarHBondContact NE-O 3.23Å; R919-L966 HydrophobicContact CB-CD2 4.29Å; R919-L966 HydrophobicContact CG-CD2 4.47Å; R919-I974 HydrophobicContact CB-CD1 3.78Å; R919-I974 HydrophobicContact CB-CG2 4.22Å
920K93.8Very high91.5Very high84 Ų8448.2 Ų48.237%0.36525%0.247SC..Hα-helixtrans-64.4-39.5176.1-169.4165.2-175.9152.40111.5D916 E917 L918 L923 N924 E973 I974D916-K920 VanDerWaalsContact O-CB 3.3Å; D916-K920 WeakPolarHBondContact O-CB 3.44Å; D916-K920 PolarHBondContact O-N 3.18Å; E917-K920 PolarHBondContact O-N 3.04Å; L918-K920 VanDerWaalsContact C-N 3.31Å; L918-K920 PolarHBondContact O-N 2.9Å; K920-L923 PolarHBondContact O-N 3.01Å; K920-N924 WeakPolarHBondContact O-CB 3.17Å; K920-N924 PolarHBondContact O-N 3.29Å; K920-N924 PolarHBondContact O-ND2 2.98Å; K920-N924 PolarHBondContact O-OD1 3.47Å; K920-E973 IonicContact NZ-OE2 3.06Å; K920-E973 PolarHBondContact NZ-OE2 3.45Å; K920-I974 HydrophobicContact CB-CD1 4.19Å
921S93.4Very high91.6Very high15 Ų1548.2 Ų48.211%0.10525%0.247CC..Hα-helixtrans-66.6-41.4177.169.80000112.4E917 L918 N924 Y925E917-S921 PolarHBondContact O-N 3.04Å; L918-S921 PolarHBondContact O-N 3.3Å; L918-S921 PolarHBondContact O-OG 3.4Å; S921-N924 WeakPolarHBondContact O-CB 2.96Å; S921-N924 PolarHBondContact O-N 3.11Å; S921-Y925 PolarHBondContact O-N 2.72Å
922V94.6Very high91.7Very high0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-61-45.6173.71740000110.9I883 W884 V903 L906 L918 R919 N924 Y925 L926I883-V922 HydrophobicContact CD1-CB 4.4Å; I883-V922 HydrophobicContact CD1-CG1 3.96Å; I883-V922 HydrophobicContact CD1-CG2 4.01Å; W884-V922 HydrophobicContact CZ3-CG2 4.01Å; V903-V922 HydrophobicContact CG1-CG1 3.9Å; L906-V922 HydrophobicContact CD2-CG1 4.34Å; L918-V922 WeakPolarHBondContact O-CG2 2.89Å; L918-V922 PolarHBondContact O-N 3.18Å; L918-V922 VanDerWaalsContact O-N 3.08Å; R919-V922 PolarHBondContact O-N 3.43Å; V922-N924 VanDerWaalsContact C-N 3.32Å; V922-N924 PolarHBondContact O-N 3.5Å; V922-Y925 WeakPolarHBondContact O-CB 3.43Å; V922-Y925 PolarHBondContact O-N 2.81Å; V922-Y925 VanDerWaalsContact O-N 3.17Å; V922-L926 HydrophobicContact CG1-CD1 4.3Å; V922-L926 HydrophobicContact CG1-CG 4.48Å; V922-L926 WeakPolarHBondContact O-CG 3.47Å; V922-L926 PolarHBondContact O-N 3.34Å
923L95.6Very high92.2Very high3 Ų354.3 Ų54.32%0.01627%0.272CS..Hα-helixtrans-59.5-42.4175-78.6169.5000112.1R919 K920 Y925 L926 E927 L932 L966 I974 K977 I981R919-L923 PolarHBondContact O-N 3.26Å; K920-L923 PolarHBondContact O-N 3.01Å; L923-Y925 VanDerWaalsContact C-N 3.33Å; L923-Y925 PolarHBondContact O-N 3.48Å; L923-L926 PolarHBondContact O-N 3.43Å; L923-E927 WeakPolarHBondContact O-CB 3.46Å; L923-E927 PolarHBondContact O-N 3.08Å; L923-L932 HydrophobicContact CD2-CD1 4.36Å; L923-L966 HydrophobicContact CD1-CD2 4.12Å; L923-L966 HydrophobicContact CD2-CD1 3.86Å; L923-L966 HydrophobicContact CD2-CD2 4.17Å; L923-L966 HydrophobicContact CG-CD1 4.45Å; L923-L966 HydrophobicContact CG-CD2 3.83Å; L923-I974 HydrophobicContact CD1-CB 4.42Å; L923-I974 HydrophobicContact CD1-CG1 4.22Å; L923-I974 HydrophobicContact CD1-CG2 4.02Å; L923-K977 HydrophobicContact CD1-CB 4.17Å; L923-K977 HydrophobicContact CD1-CD 3.91Å; L923-K977 HydrophobicContact CD2-CB 4.41Å; L923-I981 HydrophobicContact CD2-CD1 4.04Å
924N95.6Very high92.9Very high75 Ų7548.7 Ų48.740%0.40124%0.242SC..Hα-helixtrans-63.9-37.4176.1-67.9-13.5000111.9K920 S921 V922 E927 K928K920-N924 WeakPolarHBondContact O-CB 3.17Å; K920-N924 PolarHBondContact O-N 3.29Å; K920-N924 PolarHBondContact O-ND2 2.98Å; K920-N924 PolarHBondContact O-OD1 3.47Å; S921-N924 WeakPolarHBondContact O-CB 2.96Å; S921-N924 PolarHBondContact O-N 3.11Å; V922-N924 VanDerWaalsContact C-N 3.32Å; V922-N924 PolarHBondContact O-N 3.5Å; N924-E927 PolarHBondContact O-N 3.02Å; N924-K928 VanDerWaalsContact O-CB 3.28Å; N924-K928 WeakPolarHBondContact O-CB 3.42Å; N924-K928 PolarHBondContact O-N 3.49Å
925Y96.7Very high93.2Very high8 Ų852.8 Ų52.83%0.03125%0.252CS..Hα-helixtrans-62.7-47173.2171.2-94.6000111.6D881 I883 Y885 Y898 S921 V922 L923 E927 K928 T929D881-Y925 HydrophobicContact CB-CD2 4.17Å; D881-Y925 HydrophobicContact CB-CE2 4.15Å; D881-Y925 WeakPolarHBondContact O-CD2 3.27Å; I883-Y925 HydrophobicContact CB-CD1 4.05Å; I883-Y925 HydrophobicContact CB-CD2 4Å; I883-Y925 HydrophobicContact CB-CE1 4.19Å; I883-Y925 HydrophobicContact CB-CE2 4.14Å; I883-Y925 HydrophobicContact CB-CG 3.95Å; I883-Y925 HydrophobicContact CD1-CD1 3.79Å; I883-Y925 HydrophobicContact CD1-CE1 4.23Å; I883-Y925 HydrophobicContact CD1-CG 4.27Å; I883-Y925 HydrophobicContact CG1-CD1 3.71Å; I883-Y925 HydrophobicContact CG1-CE1 3.73Å; I883-Y925 HydrophobicContact CG1-CG 4.14Å; I883-Y925 HydrophobicContact CG2-CD1 4.47Å; I883-Y925 HydrophobicContact CG2-CD2 3.93Å; I883-Y925 HydrophobicContact CG2-CE1 4.19Å; I883-Y925 HydrophobicContact CG2-CE2 3.61Å; I883-Y925 HydrophobicContact CG2-CG 4.35Å; Y885-Y925 WeakPolarHBondContact OH-CE2 3.34Å; Y885-Y925 PolarHBondContact OH-OH 3.17Å; Y898-Y925 AromaticContact CD2-CE1 3.95Å; Y898-Y925 HydrophobicContact CD2-CE1 3.95Å; S921-Y925 PolarHBondContact O-N 2.72Å; V922-Y925 WeakPolarHBondContact O-CB 3.43Å; V922-Y925 PolarHBondContact O-N 2.81Å; V922-Y925 VanDerWaalsContact O-N 3.17Å; L923-Y925 VanDerWaalsContact C-N 3.33Å; L923-Y925 PolarHBondContact O-N 3.48Å; Y925-E927 PolarHBondContact O-N 3.27Å; Y925-K928 PolarHBondContact O-N 3.48Å; Y925-T929 HydrophobicContact CD1-CG2 4.37Å; Y925-T929 HydrophobicContact CD2-CG2 4.22Å; Y925-T929 HydrophobicContact CE1-CG2 3.92Å; Y925-T929 HydrophobicContact CE2-CG2 3.74Å; Y925-T929 WeakPolarHBondContact O-CG2 3.4Å; Y925-T929 PolarHBondContact O-N 3.04Å; Y925-T929 PolarHBondContact O-OG1 2.83Å
926L96.2Very high93.4Very high0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-63.5-31.5177.1-62175.7000112Y898 V903 V922 L923 T929 A931 L932 L938 L962Y898-L926 HydrophobicContact CE2-CD2 3.69Å; V903-L926 HydrophobicContact CG1-CD1 4.43Å; V903-L926 HydrophobicContact CG1-CD2 4.11Å; V922-L926 HydrophobicContact CG1-CD1 4.3Å; V922-L926 HydrophobicContact CG1-CG 4.48Å; V922-L926 WeakPolarHBondContact O-CG 3.47Å; V922-L926 PolarHBondContact O-N 3.34Å; L923-L926 PolarHBondContact O-N 3.43Å; L926-T929 WeakPolarHBondContact CA-OG1 3.42Å; L926-T929 PolarHBondContact O-OG1 3.35Å; L926-A931 PolarHBondContact O-N 3.35Å; L926-A931 VanDerWaalsContact O-N 3.09Å; L926-L932 HydrophobicContact CB-CD1 4.02Å; L926-L932 HydrophobicContact CB-CD2 4.15Å; L926-L932 HydrophobicContact CB-CG 3.69Å; L926-L932 PolarHBondContact O-N 3.5Å; L926-L932 VanDerWaalsContact O-N 3.13Å; L926-L938 HydrophobicContact CD1-CD2 4.12Å; L926-L938 HydrophobicContact CD2-CD2 4.16Å; L926-L962 HydrophobicContact CD1-CD1 3.81Å; L926-L962 HydrophobicContact CD1-CD2 4.12Å
927E95.3Very high93.5Very high94 Ų9449 Ų4944%0.43923%0.229SC..Hα-helixtrans-71.5-47.2172.9-166.5162.7-168.400112.1L923 N924 Y925 T929 G930 L932 K977L923-E927 WeakPolarHBondContact O-CB 3.46Å; L923-E927 PolarHBondContact O-N 3.08Å; N924-E927 PolarHBondContact O-N 3.02Å; Y925-E927 PolarHBondContact O-N 3.27Å; E927-T929 PolarHBondContact O-N 3.35Å; E927-G930 PolarHBondContact O-N 2.86Å; E927-L932 HydrophobicContact CB-CD1 4.05Å; E927-K977 IonicContact OE2-NZ 3.68Å
928K95.4Very high93.7Very high146 Ų14642.5 Ų42.564%0.63520%0.199SC*.Hα-helixtrans-58.2-45.3178.4177.6-171.1173.1-168.80111.7D881 N924 Y925 G930D881-K928 IonicContact OD1-NZ 2.75Å; D881-K928 PolarHBondContact OD1-NZ 3.47Å; N924-K928 VanDerWaalsContact O-CB 3.28Å; N924-K928 WeakPolarHBondContact O-CB 3.42Å; N924-K928 PolarHBondContact O-N 3.49Å; Y925-K928 PolarHBondContact O-N 3.48Å; K928-G930 PolarHBondContact O-N 3.4Å
929T94.9Very high93.9Very high41 Ų4141.8 Ų41.825%0.25220%0.195SC..THydrogen-bonded Turntrans-69.5-15.7178.352.60000113.1Y898 Y925 L926 E927 A931 L942Y898-T929 HydrophobicContact CD2-CG2 4.15Å; Y925-T929 HydrophobicContact CD1-CG2 4.37Å; Y925-T929 HydrophobicContact CD2-CG2 4.22Å; Y925-T929 HydrophobicContact CE1-CG2 3.92Å; Y925-T929 HydrophobicContact CE2-CG2 3.74Å; Y925-T929 WeakPolarHBondContact O-CG2 3.4Å; Y925-T929 PolarHBondContact O-N 3.04Å; Y925-T929 PolarHBondContact O-OG1 2.83Å; L926-T929 WeakPolarHBondContact CA-OG1 3.42Å; L926-T929 PolarHBondContact O-OG1 3.35Å; E927-T929 PolarHBondContact O-N 3.35Å; T929-A931 VanDerWaalsContact C-N 3.31Å; T929-L942 VanDerWaalsContact O-CD1 3.24Å; T929-L942 WeakPolarHBondContact O-CD1 3.31Å
930G94.2Very high93.9Very high19 Ų1942.3 Ų42.320%0.19620%0.198CC..THydrogen-bonded Turntrans85.5-1.7-175.700000114E927 K928 L932 K933E927-G930 PolarHBondContact O-N 2.86Å; K928-G930 PolarHBondContact O-N 3.4Å; G930-L932 VanDerWaalsContact C-N 3.29Å; G930-L932 PolarHBondContact O-N 2.92Å; G930-K933 VanDerWaalsContact O-CB 3.31Å; G930-K933 WeakPolarHBondContact O-CB 3.38Å; G930-K933 PolarHBondContact O-N 3.38Å
931A94.4Very high93.9Very high0 Ų038.3 Ų38.30%018%0.181CC..G310 helixtrans-58.5-38.5179.500000112.7Y898 L926 T929 K933 V934 L938Y898-A931 HydrophobicContact CD2-CB 4.33Å; Y898-A931 HydrophobicContact CE1-CB 4.31Å; Y898-A931 HydrophobicContact CE2-CB 3.51Å; Y898-A931 VanDerWaalsContact CZ-CB 3.5Å; Y898-A931 WeakPolarHBondContact OH-CB 3.31Å; L926-A931 PolarHBondContact O-N 3.35Å; L926-A931 VanDerWaalsContact O-N 3.09Å; T929-A931 VanDerWaalsContact C-N 3.31Å; A931-K933 PolarHBondContact O-N 3.29Å; A931-V934 PolarHBondContact O-N 2.7Å; A931-L938 HydrophobicContact CB-CD2 4.11Å; A931-L938 HydrophobicContact CB-CG 4.42Å
932L93.5Very high93.9Very high32 Ų3240.4 Ų40.417%0.16819%0.191CC..G310 helixtrans-70.1-17.7176.1-67.6-178.5000114.2L923 L926 E927 G930 V934 L938 I981 K984L923-L932 HydrophobicContact CD2-CD1 4.36Å; L926-L932 HydrophobicContact CB-CD1 4.02Å; L926-L932 HydrophobicContact CB-CD2 4.15Å; L926-L932 HydrophobicContact CB-CG 3.69Å; L926-L932 PolarHBondContact O-N 3.5Å; L926-L932 VanDerWaalsContact O-N 3.13Å; E927-L932 HydrophobicContact CB-CD1 4.05Å; G930-L932 VanDerWaalsContact C-N 3.29Å; G930-L932 PolarHBondContact O-N 2.92Å; L932-V934 VanDerWaalsContact C-N 3.29Å; L932-L938 HydrophobicContact CD2-CD1 4.13Å; L932-L938 HydrophobicContact CD2-CD2 4.13Å; L932-L938 HydrophobicContact CD2-CG 4.48Å; L932-I981 HydrophobicContact CD2-CD1 3.85Å; L932-I981 HydrophobicContact CD2-CG1 4.06Å; L932-K984 PolarHBondContact O-NZ 3.46Å
933K91.8Very high93.8Very high166 Ų16642.7 Ų42.772%0.72220%0.202SC*.G310 helixtrans-77.8-18.2178.5-60.2179.9-178.8173.80112.1G930 A931G930-K933 VanDerWaalsContact O-CB 3.31Å; G930-K933 WeakPolarHBondContact O-CB 3.38Å; G930-K933 PolarHBondContact O-N 3.38Å; A931-K933 PolarHBondContact O-N 3.29Å
934V92.3Very high93.6Very high12 Ų1251 Ų517%0.07323%0.233CC..SBendtrans-63.1137.2174.6-173.40000109.6A931 L932 G937 P939 K984 V1006A931-V934 PolarHBondContact O-N 2.7Å; L932-V934 VanDerWaalsContact C-N 3.29Å; V934-G937 WeakPolarHBondContact CB-O 3.32Å; V934-G937 WeakPolarHBondContact CG1-O 3.27Å; V934-P939 HydrophobicContact CG2-CG 4.23Å; V934-K984 PolarHBondContact O-NZ 3.24Å; V934-V1006 HydrophobicContact CG1-CB 3.76Å; V934-V1006 HydrophobicContact CG1-CG2 3.45Å; V934-V1006 VanDerWaalsContact CG1-CG2 3.45Å
935R88.3Confident93.3Very high166 Ų16649 Ų4963%0.62622%0.224SC*.SBendtrans-71.5-45.1-156.7-171.5169.5-178.6-179.95113.3K984R935-K984 WeakPolarHBondContact O-CD 3.47Å; R935-K984 WeakPolarHBondContact O-CE 3.38Å
936Y89.9Confident92.8Very high10 Ų1055.8 Ų55.84%0.03926%0.26CS..SBendtrans-116.89.5-166.8-63.8-73.8000114.6K984 W985 L988 V1006Y936-K984 CarbonylContact O-C 3.49Å; Y936-K984 VanDerWaalsContact O-C 3.28Å; Y936-K984 VanDerWaalsContact O-O 3.06Å; Y936-W985 WeakPolarHBondContact O-CA 3.46Å; Y936-W985 PolarHBondContact O-N 3.38Å; Y936-L988 HydrophobicContact CG-CD1 4.39Å; Y936-V1006 WeakPolarHBondContact CB-O 3.4Å; Y936-V1006 PolarHBondContact N-O 3.25Å; Y936-V1006 VanDerWaalsContact N-O 3.17Å
937G91.9Very high92.4Very high1 Ų156.9 Ų56.91%0.0127%0.266CS..SBendtrans157.5-177-179.400000110.2V934V934-G937 WeakPolarHBondContact CB-O 3.32Å; V934-G937 WeakPolarHBondContact CG1-O 3.27Å
938L95.3Very high92.2Very high2 Ų252.4 Ų52.41%0.0125%0.245CC..  trans-101.8129.8175.9-74.976000109.6L900 L926 A931 L932 S954 Q959 L962 I981L900-L938 HydrophobicContact CD1-CB 4.34Å; L900-L938 HydrophobicContact CD1-CD2 4.06Å; L900-L938 HydrophobicContact CD2-CB 4.15Å; L926-L938 HydrophobicContact CD1-CD2 4.12Å; L926-L938 HydrophobicContact CD2-CD2 4.16Å; A931-L938 HydrophobicContact CB-CD2 4.11Å; A931-L938 HydrophobicContact CB-CG 4.42Å; L932-L938 HydrophobicContact CD2-CD1 4.13Å; L932-L938 HydrophobicContact CD2-CD2 4.13Å; L932-L938 HydrophobicContact CD2-CG 4.48Å; L938-S954 WeakPolarHBondContact O-CB 3.37Å; L938-Q959 PolarHBondContact O-NE2 3.42Å; L938-L962 HydrophobicContact CD1-CD2 4.22Å; L938-L962 HydrophobicContact CD2-CD2 3.62Å; L938-L962 HydrophobicContact CG-CD2 4.46Å; L938-I981 HydrophobicContact CD1-CG2 4.01Å
939P95.1Very high92Very high0 Ų047.9 Ų47.90%022%0.224CC..  trans-71.9154.2174.533.6-35.6000110Y898 V934 S941 L942 H951 N953 V1006Y898-P939 WeakPolarHBondContact CE1-O 3.32Å; Y898-P939 PolarHBondContact OH-O 2.93Å; V934-P939 HydrophobicContact CG2-CG 4.23Å; P939-S941 VanDerWaalsContact C-N 3.26Å; P939-S941 VanDerWaalsContact CB-O 3.29Å; P939-S941 WeakPolarHBondContact CB-O 3.46Å; P939-S941 WeakPolarHBondContact CG-O 3.36Å; P939-S941 PolarHBondContact O-N 3.25Å; P939-L942 HydrophobicContact CG-CD2 3.98Å; P939-H951 VanDerWaalsContact CG-CD2 3.46Å; P939-H951 WeakPolarHBondContact CG-CD2 3.12Å; P939-N953 VanDerWaalsContact CA-O 3.32Å; P939-N953 WeakPolarHBondContact CA-O 3.41Å; P939-V1006 HydrophobicContact CB-CG2 3.92Å; P939-V1006 HydrophobicContact CG-CG2 4.46Å
940N93.6Very high91.9Very high14 Ų1446 Ų468%0.07521%0.212CC..SBendtrans-68.4-26.7-179.6-86.270.2000113.4Y899 L900 W949 N953 W955 S958Y899-N940 WeakPolarHBondContact CA-O 3.41Å; L900-N940 PolarHBondContact N-O 3.26Å; N940-W949 WeakPolarHBondContact CB-O 3.41Å; N940-N953 PolarHBondContact N-O 3.25Å; N940-W955 VanDerWaalsContact OD1-CD1 3.31Å; N940-W955 PolarHBondContact OD1-N 3.42Å; N940-W955 VanDerWaalsContact OD1-N 3.16Å; N940-S958 PolarHBondContact ND2-OG 2.68Å
941S94.6Very high91.8Very high1 Ų145.4 Ų45.41%0.00720%0.204CC..BIsolated β-bridgetrans-140.6160.2171.6178.40000108.5S808 Y899 P939 M943 D950 H951S808-S941 PolarHBondContact OG-OG 3.33Å; Y899-S941 WeakPolarHBondContact CE1-OG 3.21Å; P939-S941 VanDerWaalsContact C-N 3.26Å; P939-S941 VanDerWaalsContact CB-O 3.29Å; P939-S941 WeakPolarHBondContact CB-O 3.46Å; P939-S941 WeakPolarHBondContact CG-O 3.36Å; P939-S941 PolarHBondContact O-N 3.25Å; S941-M943 WeakPolarHBondContact OG-CB 3.48Å; S941-M943 PolarHBondContact OG-N 3.13Å; S941-D950 VanDerWaalsContact CB-OD1 3.24Å; S941-D950 WeakPolarHBondContact CB-OD1 3.32Å; S941-H951 WeakPolarHBondContact O-CB 3.47Å; S941-H951 PolarHBondContact O-N 3.28Å
942L93.7Very high91.8Very high58 Ų5846.4 Ų46.430%0.30421%0.211SC..SBendtrans-92.5-3.7168.2-70.7170.5000112.3Y898 T929 P939Y898-L942 HydrophobicContact CD1-CB 4.19Å; Y898-L942 HydrophobicContact CD1-CD1 3.89Å; Y898-L942 HydrophobicContact CD1-CG 3.53Å; Y898-L942 HydrophobicContact CE1-CG 3.97Å; Y898-L942 HydrophobicContact CG-CD1 3.87Å; Y898-L942 HydrophobicContact CG-CG 4.06Å; T929-L942 VanDerWaalsContact O-CD1 3.24Å; T929-L942 WeakPolarHBondContact O-CD1 3.31Å; P939-L942 HydrophobicContact CG-CD2 3.98Å
943M91.3Very high91.9Very high49 Ų4945.1 Ų45.124%0.24120%0.204CC..SBendtrans-77.4132.9175.7-66.5-175.160.300110.4S808 D819 S941 T945 D950 H951S808-M943 PolarHBondContact OG-SD 2.89Å; S808-M943 VanDerWaalsContact OG-SD 3.35Å; D819-M943 HydrophobicContact CB-CE 4.02Å; S941-M943 WeakPolarHBondContact OG-CB 3.48Å; S941-M943 PolarHBondContact OG-N 3.13Å; M943-T945 HydrophobicContact CB-CG2 4.21Å; M943-T945 PolarHBondContact O-N 3.49Å; M943-D950 WeakPolarHBondContact O-CB 3.42Å; M943-H951 WeakPolarHBondContact O-CB 3.43Å; M943-H951 PolarHBondContact O-N 3.26Å
944W90.8Very high92Very high178 Ų17837.2 Ų37.267%0.67417%0.169SC*.BIsolated β-bridgetrans-86.2107.2169.6-7288.8000108.9H951 P952 E1007W944-H951 HydrophobicContact CD2-CB 4.28Å; W944-H951 AromaticContact CD2-ND1 3.51Å; W944-H951 AromaticContact CE2-CE1 3.56Å; W944-H951 AromaticContact CE2-CG 3.88Å; W944-H951 AromaticContact CE2-ND1 3.06Å; W944-H951 AromaticContact CE3-ND1 3.77Å; W944-H951 HydrophobicContact CG-CB 4.4Å; W944-H951 AromaticContact CH2-CE1 3.6Å; W944-H951 AromaticContact CH2-ND1 3.3Å; W944-H951 VanDerWaalsContact CH2-ND1 3.3Å; W944-H951 WeakPolarHBondContact CH2-ND1 2.98Å; W944-H951 AromaticContact CZ2-CE1 3.12Å; W944-H951 WeakPolarHBondContact CZ2-CE1 3.22Å; W944-H951 AromaticContact CZ2-ND1 2.98Å; W944-H951 WeakPolarHBondContact CZ2-ND1 3.3Å; W944-H951 AromaticContact CZ3-ND1 3.67Å; W944-H951 AromaticContact NE1-CE1 3.99Å; W944-H951 AromaticContact NE1-ND1 3.58Å; W944-P952 HydrophobicContact CH2-CB 3.91Å; W944-P952 HydrophobicContact CH2-CG 4.26Å; W944-P952 HydrophobicContact CZ3-CB 3.94Å; W944-P952 HydrophobicContact CZ3-CG 3.85Å; W944-E1007 HydrophobicContact CH2-CG 4.33Å
945T89.3Confident92.1Very high32 Ų3236.7 Ų36.720%0.19617%0.166CC..  trans-129.7169.8173.673.30000108.9M943 E947 D950M943-T945 HydrophobicContact CB-CG2 4.21Å; M943-T945 PolarHBondContact O-N 3.49Å; T945-E947 PolarHBondContact O-N 2.79Å; T945-E947 WeakPolarHBondContact OG1-CB 3.29Å; T945-E947 PolarHBondContact OG1-N 3.22Å; T945-E947 VanDerWaalsContact OG1-N 3.1Å; T945-D950 HydrophobicContact CG2-CB 4.46Å; T945-D950 WeakPolarHBondContact CG2-OD2 3.23Å; T945-D950 VanDerWaalsContact OG1-CB 3.27Å; T945-D950 WeakPolarHBondContact OG1-CB 3.36Å; T945-D950 PolarHBondContact OG1-OD2 3.42Å
946D86.3Confident92.5Very high150 Ų15028.8 Ų28.880%0.80214%0.137SC*.SBendtrans-794.2171.2-64.4-37.6000112.3G1015 G1016D946-G1015 CarbonylContact O-C 3.55Å; D946-G1015 WeakPolarHBondContact O-CA 3.28Å; D946-G1016 PolarHBondContact O-N 2.98Å
947E89.7Confident92.8Very high23 Ų2328.3 Ų28.311%0.10714%0.135CC..SBendtrans-87.7149.2-177.1-59.4-64.8165.400112.5F806 F811 T945 W949 D950F806-E947 PolarHBondContact N-OE2 3.32Å; F806-E947 WeakPolarHBondContact O-CB 3.24Å; F811-E947 HydrophobicContact CE2-CG 4.18Å; F811-E947 HydrophobicContact CZ-CG 3.72Å; T945-E947 PolarHBondContact O-N 2.79Å; T945-E947 WeakPolarHBondContact OG1-CB 3.29Å; T945-E947 PolarHBondContact OG1-N 3.22Å; T945-E947 VanDerWaalsContact OG1-N 3.1Å; E947-W949 PolarHBondContact O-N 3.49Å; E947-D950 PolarHBondContact O-N 2.99Å
948Q90.1Very high93Very high0 Ų028.9 Ų28.90%014%0.139CC..THydrogen-bonded Turntrans-76.1-21.2-169.365.3178.9-2100115D950 N953 W955 K1003 G1015 Y1018Q948-D950 VanDerWaalsContact C-N 3.34Å; Q948-N953 VanDerWaalsContact O-CB 3.31Å; Q948-N953 WeakPolarHBondContact O-CB 3.44Å; Q948-N953 PolarHBondContact O-ND2 2.82Å; Q948-W955 HydrophobicContact CB-CZ2 3.88Å; Q948-W955 HydrophobicContact CG-CH2 4.31Å; Q948-W955 HydrophobicContact CG-CZ2 3.78Å; Q948-W955 WeakPolarHBondContact O-CZ2 3.35Å; Q948-W955 PolarHBondContact O-NE1 3.23Å; Q948-K1003 HydrophobicContact CB-CD 4.28Å; Q948-G1015 WeakPolarHBondContact CB-O 3.46Å; Q948-Y1018 PolarHBondContact NE2-OH 3.41Å; Q948-Y1018 PolarHBondContact OE1-OH 3.01Å
949W90.5Very high93Very high52 Ų5228.8 Ų28.820%0.19714%0.138CC..THydrogen-bonded Turntrans-95.115.3-179.8-74.996.6000113.4W686 N940 E947 W955 W1026W686-W949 AromaticContact CH2-CH2 3.32Å; W686-W949 HydrophobicContact CH2-CH2 3.32Å; W686-W949 AromaticContact CH2-CZ2 3.74Å; W686-W949 HydrophobicContact CH2-CZ2 3.74Å; W686-W949 HydrophobicContact CH2-CZ3 4.11Å; W686-W949 AromaticContact CZ2-CH2 3.59Å; W686-W949 HydrophobicContact CZ2-CH2 3.59Å; W686-W949 AromaticContact CZ2-CZ2 3.65Å; W686-W949 HydrophobicContact CZ2-CZ2 3.65Å; W686-W949 HydrophobicContact CZ3-CH2 4.48Å; N940-W949 WeakPolarHBondContact CB-O 3.41Å; E947-W949 PolarHBondContact O-N 3.49Å; W949-W955 HydrophobicContact CD2-CD2 4.27Å; W949-W955 AromaticContact CD2-CE2 3.88Å; W949-W955 HydrophobicContact CD2-CG 4.42Å; W949-W955 HydrophobicContact CD2-CZ2 4.23Å; W949-W955 AromaticContact CD2-NE1 3.87Å; W949-W955 AromaticContact CE2-CE2 3.89Å; W949-W955 AromaticContact CE2-CZ2 3.93Å; W949-W955 HydrophobicContact CE3-CB 4.42Å; W949-W955 AromaticContact CE3-CD1 3.66Å; W949-W955 HydrophobicContact CE3-CD2 4.11Å; W949-W955 AromaticContact CE3-CG 3.83Å; W949-W955 HydrophobicContact CE3-CG 3.83Å; W949-W955 AromaticContact CE3-NE1 3.83Å; W949-W955 HydrophobicContact CG-CZ2 4.46Å; W949-W955 HydrophobicContact CH2-CB 4.03Å; W949-W955 AromaticContact CH2-CD2 3.66Å; W949-W955 HydrophobicContact CH2-CD2 3.66Å; W949-W955 AromaticContact CH2-CE3 3.79Å; W949-W955 HydrophobicContact CH2-CE3 3.79Å; W949-W955 AromaticContact CH2-CG 3.79Å; W949-W955 HydrophobicContact CH2-CG 3.79Å; W949-W955 HydrophobicContact CH2-CZ3 4.42Å; W949-W955 AromaticContact CZ2-CD2 3.85Å; W949-W955 HydrophobicContact CZ2-CD2 3.85Å; W949-W955 AromaticContact CZ2-CE3 3.8Å; W949-W955 HydrophobicContact CZ2-CE3 3.8Å; W949-W955 HydrophobicContact CZ2-CG 4.4Å; W949-W955 HydrophobicContact CZ2-CH2 4.2Å; W949-W955 HydrophobicContact CZ2-CZ2 4.25Å; W949-W955 AromaticContact CZ2-CZ3 3.97Å; W949-W955 HydrophobicContact CZ2-CZ3 3.97Å; W949-W955 HydrophobicContact CZ3-CB 3.7Å; W949-W955 AromaticContact CZ3-CD1 3.81Å; W949-W955 AromaticContact CZ3-CD2 3.83Å; W949-W955 HydrophobicContact CZ3-CD2 3.83Å; W949-W955 HydrophobicContact CZ3-CE3 4.41Å; W949-W955 AromaticContact CZ3-CG 3.49Å; W949-W955 HydrophobicContact CZ3-CG 3.49Å; W949-W955 VanDerWaalsContact CZ3-CG 3.49Å; W949-W1026 HydrophobicContact CZ2-CH2 4.41Å
950D92.9Very high93.1Very high0 Ų028.8 Ų28.80%014%0.138CC..SBendtrans-120.2-177.3-179.7-66.6-30.4000112.5S807 S808 S941 M943 T945 E947 Q948 N953S807-D950 PolarHBondContact OG-OD1 3.19Å; S808-D950 VanDerWaalsContact CB-OD2 3.27Å; S808-D950 WeakPolarHBondContact CB-OD2 3.42Å; S808-D950 PolarHBondContact N-OD1 3.02Å; S808-D950 PolarHBondContact N-OD2 3.15Å; S808-D950 PolarHBondContact OG-OD1 2.97Å; S941-D950 VanDerWaalsContact CB-OD1 3.24Å; S941-D950 WeakPolarHBondContact CB-OD1 3.32Å; M943-D950 WeakPolarHBondContact O-CB 3.42Å; T945-D950 HydrophobicContact CG2-CB 4.46Å; T945-D950 WeakPolarHBondContact CG2-OD2 3.23Å; T945-D950 VanDerWaalsContact OG1-CB 3.27Å; T945-D950 WeakPolarHBondContact OG1-CB 3.36Å; T945-D950 PolarHBondContact OG1-OD2 3.42Å; E947-D950 PolarHBondContact O-N 2.99Å; Q948-D950 VanDerWaalsContact C-N 3.34Å; D950-N953 WeakPolarHBondContact O-CB 3.4Å; D950-N953 PolarHBondContact O-N 3.09Å
951H93.3Very high93.3Very high7 Ų728.7 Ų28.73%0.03214%0.137CC..BIsolated β-bridgetrans-60.9133.3179.9-158.8-74.8000110.8P939 S941 M943 W944 E1007P939-H951 VanDerWaalsContact CG-CD2 3.46Å; P939-H951 WeakPolarHBondContact CG-CD2 3.12Å; S941-H951 WeakPolarHBondContact O-CB 3.47Å; S941-H951 PolarHBondContact O-N 3.28Å; M943-H951 WeakPolarHBondContact O-CB 3.43Å; M943-H951 PolarHBondContact O-N 3.26Å; W944-H951 HydrophobicContact CD2-CB 4.28Å; W944-H951 AromaticContact CD2-ND1 3.51Å; W944-H951 AromaticContact CE2-CE1 3.56Å; W944-H951 AromaticContact CE2-CG 3.88Å; W944-H951 AromaticContact CE2-ND1 3.06Å; W944-H951 AromaticContact CE3-ND1 3.77Å; W944-H951 HydrophobicContact CG-CB 4.4Å; W944-H951 AromaticContact CH2-CE1 3.6Å; W944-H951 AromaticContact CH2-ND1 3.3Å; W944-H951 VanDerWaalsContact CH2-ND1 3.3Å; W944-H951 WeakPolarHBondContact CH2-ND1 2.98Å; W944-H951 AromaticContact CZ2-CE1 3.12Å; W944-H951 WeakPolarHBondContact CZ2-CE1 3.22Å; W944-H951 AromaticContact CZ2-ND1 2.98Å; W944-H951 WeakPolarHBondContact CZ2-ND1 3.3Å; W944-H951 AromaticContact CZ3-ND1 3.67Å; W944-H951 AromaticContact NE1-CE1 3.99Å; W944-H951 AromaticContact NE1-ND1 3.58Å; H951-E1007 IonicContact CE1-OE1 2.78Å; H951-E1007 PolarHBondContact CE1-OE1 2.83Å; H951-E1007 IonicContact NE2-OE1 3.04Å; H951-E1007 PolarHBondContact NE2-OE1 3.34Å
952P94.2Very high93.4Very high21 Ų2128.7 Ų28.714%0.13614%0.137CC..THydrogen-bonded Turncis-101.32313.640.3-36.2000114.2W944 N1005 V1006 E1007W944-P952 HydrophobicContact CH2-CB 3.91Å; W944-P952 HydrophobicContact CH2-CG 4.26Å; W944-P952 HydrophobicContact CZ3-CB 3.94Å; W944-P952 HydrophobicContact CZ3-CG 3.85Å; P952-N1005 WeakPolarHBondContact CG-ND2 3.41Å; P952-N1005 WeakPolarHBondContact O-CA 3.49Å; P952-V1006 VanDerWaalsContact O-CG2 3.24Å; P952-V1006 WeakPolarHBondContact O-CG2 3.14Å; P952-V1006 PolarHBondContact O-N 3.46Å; P952-E1007 HydrophobicContact CB-CG 3.97Å
953N94.3Very high93.5Very high5 Ų526 Ų263%0.02712%0.123CC..EExtended strand (participates in β ladder)trans-85.4139.1-172.2-60.7-39.6000112P939 N940 Q948 D950 Y1004 G1013 G1014P939-N953 VanDerWaalsContact CA-O 3.32Å; P939-N953 WeakPolarHBondContact CA-O 3.41Å; N940-N953 PolarHBondContact N-O 3.25Å; Q948-N953 VanDerWaalsContact O-CB 3.31Å; Q948-N953 WeakPolarHBondContact O-CB 3.44Å; Q948-N953 PolarHBondContact O-ND2 2.82Å; D950-N953 WeakPolarHBondContact O-CB 3.4Å; D950-N953 PolarHBondContact O-N 3.09Å; N953-Y1004 WeakPolarHBondContact CA-O 3.35Å; N953-G1013 WeakPolarHBondContact OD1-CA 3.07Å; N953-G1014 PolarHBondContact ND2-O 3.43Å; N953-G1014 PolarHBondContact OD1-N 2.84Å
954S94Very high93.7Very high0 Ų024.9 Ų24.90%012%0.117CC..EExtended strand (participates in β ladder)trans-114.8144.3161.964.70000110.8L938 K1003 Y1004 V1006L938-S954 WeakPolarHBondContact O-CB 3.37Å; S954-K1003 WeakPolarHBondContact O-CA 3.46Å; S954-Y1004 PolarHBondContact N-O 3.04Å; S954-Y1004 PolarHBondContact O-N 2.68Å; S954-Y1004 PolarHBondContact OG-O 2.78Å; S954-V1006 WeakPolarHBondContact OG-CG1 3.2Å
955W95.3Very high93.9Very high2 Ų216.6 Ų16.61%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-116.6136.2177-65.276.4000110.4N940 Q948 W949 P957 S958 Q959 E1002 K1003 W1026N940-W955 VanDerWaalsContact OD1-CD1 3.31Å; N940-W955 PolarHBondContact OD1-N 3.42Å; N940-W955 VanDerWaalsContact OD1-N 3.16Å; Q948-W955 HydrophobicContact CB-CZ2 3.88Å; Q948-W955 HydrophobicContact CG-CH2 4.31Å; Q948-W955 HydrophobicContact CG-CZ2 3.78Å; Q948-W955 WeakPolarHBondContact O-CZ2 3.35Å; Q948-W955 PolarHBondContact O-NE1 3.23Å; W949-W955 HydrophobicContact CD2-CD2 4.27Å; W949-W955 AromaticContact CD2-CE2 3.88Å; W949-W955 HydrophobicContact CD2-CG 4.42Å; W949-W955 HydrophobicContact CD2-CZ2 4.23Å; W949-W955 AromaticContact CD2-NE1 3.87Å; W949-W955 AromaticContact CE2-CE2 3.89Å; W949-W955 AromaticContact CE2-CZ2 3.93Å; W949-W955 HydrophobicContact CE3-CB 4.42Å; W949-W955 AromaticContact CE3-CD1 3.66Å; W949-W955 HydrophobicContact CE3-CD2 4.11Å; W949-W955 AromaticContact CE3-CG 3.83Å; W949-W955 HydrophobicContact CE3-CG 3.83Å; W949-W955 AromaticContact CE3-NE1 3.83Å; W949-W955 HydrophobicContact CG-CZ2 4.46Å; W949-W955 HydrophobicContact CH2-CB 4.03Å; W949-W955 AromaticContact CH2-CD2 3.66Å; W949-W955 HydrophobicContact CH2-CD2 3.66Å; W949-W955 AromaticContact CH2-CE3 3.79Å; W949-W955 HydrophobicContact CH2-CE3 3.79Å; W949-W955 AromaticContact CH2-CG 3.79Å; W949-W955 HydrophobicContact CH2-CG 3.79Å; W949-W955 HydrophobicContact CH2-CZ3 4.42Å; W949-W955 AromaticContact CZ2-CD2 3.85Å; W949-W955 HydrophobicContact CZ2-CD2 3.85Å; W949-W955 AromaticContact CZ2-CE3 3.8Å; W949-W955 HydrophobicContact CZ2-CE3 3.8Å; W949-W955 HydrophobicContact CZ2-CG 4.4Å; W949-W955 HydrophobicContact CZ2-CH2 4.2Å; W949-W955 HydrophobicContact CZ2-CZ2 4.25Å; W949-W955 AromaticContact CZ2-CZ3 3.97Å; W949-W955 HydrophobicContact CZ2-CZ3 3.97Å; W949-W955 HydrophobicContact CZ3-CB 3.7Å; W949-W955 AromaticContact CZ3-CD1 3.81Å; W949-W955 AromaticContact CZ3-CD2 3.83Å; W949-W955 HydrophobicContact CZ3-CD2 3.83Å; W949-W955 HydrophobicContact CZ3-CE3 4.41Å; W949-W955 AromaticContact CZ3-CG 3.49Å; W949-W955 HydrophobicContact CZ3-CG 3.49Å; W949-W955 VanDerWaalsContact CZ3-CG 3.49Å; W955-P957 VanDerWaalsContact C-CD 3.48Å; W955-P957 VanDerWaalsContact C-N 3.33Å; W955-S958 PolarHBondContact O-N 2.82Å; W955-Q959 PolarHBondContact O-N 3.38Å; W955-E1002 HydrophobicContact CH2-CG 4.19Å; W955-E1002 HydrophobicContact CZ3-CB 4.35Å; W955-E1002 HydrophobicContact CZ3-CG 4.03Å; W955-K1003 HydrophobicContact CD2-CB 3.82Å; W955-K1003 HydrophobicContact CE3-CB 4.09Å; W955-K1003 HydrophobicContact CG-CB 4.37Å; W955-K1003 HydrophobicContact CH2-CB 4.24Å; W955-K1003 HydrophobicContact CH2-CD 3.46Å; W955-K1003 VanDerWaalsContact CH2-CD 3.46Å; W955-K1003 HydrophobicContact CH2-CG 4.42Å; W955-K1003 HydrophobicContact CZ2-CB 3.95Å; W955-K1003 HydrophobicContact CZ2-CD 3.19Å; W955-K1003 HydrophobicContact CZ2-CG 4.18Å; W955-K1003 HydrophobicContact CZ3-CB 4.3Å; W955-K1003 HydrophobicContact CZ3-CD 4.26Å; W955-W1026 HydrophobicContact CD2-CZ2 4.48Å; W955-W1026 AromaticContact CE3-CE2 3.94Å; W955-W1026 AromaticContact CE3-CH2 3.39Å; W955-W1026 HydrophobicContact CE3-CH2 3.39Å; W955-W1026 AromaticContact CE3-CZ2 3.12Å; W955-W1026 HydrophobicContact CE3-CZ2 3.12Å; W955-W1026 HydrophobicContact CE3-CZ3 4.44Å; W955-W1026 HydrophobicContact CH2-CZ2 4.49Å; W955-W1026 AromaticContact CZ3-CH2 3.34Å; W955-W1026 HydrophobicContact CZ3-CH2 3.34Å; W955-W1026 AromaticContact CZ3-CZ2 3.14Å; W955-W1026 HydrophobicContact CZ3-CZ2 3.14Å
956A96.7Very high94.2Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-51.9-44.3-176.900000113.3S958 Q959 H960 W985 W1026 A1030A956-S958 VanDerWaalsContact C-N 3.33Å; A956-S958 PolarHBondContact O-N 3.39Å; A956-Q959 PolarHBondContact O-N 2.7Å; A956-H960 WeakPolarHBondContact O-CB 3.46Å; A956-H960 PolarHBondContact O-N 3.27Å; A956-W985 HydrophobicContact CB-CH2 3.62Å; A956-W985 HydrophobicContact CB-CZ2 3.41Å; A956-W985 VanDerWaalsContact CB-CZ2 3.41Å; A956-W1026 HydrophobicContact CB-CG 4.31Å; A956-A1030 HydrophobicContact CB-CB 3.97Å
957P96.8Very high94.4Very high0 Ų012.6 Ų12.60%06%0.057CC..Hα-helixtrans-48.4-49.1173.6-36.141.3000115.1W690 W955 H960 M961 W1026W690-P957 HydrophobicContact CD2-CB 4.18Å; W690-P957 HydrophobicContact CD2-CG 3.95Å; W690-P957 VanDerWaalsContact CE2-CA 3.49Å; W690-P957 HydrophobicContact CE3-CB 4.19Å; W690-P957 HydrophobicContact CE3-CG 3.76Å; W690-P957 HydrophobicContact CH2-CB 3.46Å; W690-P957 VanDerWaalsContact CH2-CB 3.46Å; W690-P957 HydrophobicContact CH2-CG 3.92Å; W690-P957 VanDerWaalsContact CZ2-CA 3.5Å; W690-P957 HydrophobicContact CZ2-CB 3.41Å; W690-P957 VanDerWaalsContact CZ2-CB 3.41Å; W690-P957 HydrophobicContact CZ2-CG 4.07Å; W690-P957 HydrophobicContact CZ3-CB 3.84Å; W690-P957 HydrophobicContact CZ3-CG 3.73Å; W955-P957 VanDerWaalsContact C-CD 3.48Å; W955-P957 VanDerWaalsContact C-N 3.33Å; P957-H960 PolarHBondContact O-N 3.46Å; P957-M961 HydrophobicContact CB-CE 4.41Å; P957-M961 WeakPolarHBondContact O-CE 3.29Å; P957-M961 WeakPolarHBondContact O-CG 3.45Å; P957-M961 PolarHBondContact O-N 2.93Å; P957-W1026 HydrophobicContact CG-CB 4.39Å; P957-W1026 HydrophobicContact CG-CD2 3.77Å; P957-W1026 HydrophobicContact CG-CE3 3.42Å; P957-W1026 VanDerWaalsContact CG-CE3 3.42Å; P957-W1026 HydrophobicContact CG-CG 4.16Å; P957-W1026 HydrophobicContact CG-CZ3 4.03Å
958S95.5Very high94.1Very high13 Ų1313.1 Ų13.19%0.0917%0.068CC..Hα-helixtrans-74.3-37.1-172.4-50.20000111.9L900 N940 W955 A956 L962L900-S958 VanDerWaalsContact CD2-CB 3.41Å; N940-S958 PolarHBondContact ND2-OG 2.68Å; W955-S958 PolarHBondContact O-N 2.82Å; A956-S958 VanDerWaalsContact C-N 3.33Å; A956-S958 PolarHBondContact O-N 3.39Å; S958-L962 PolarHBondContact O-N 3.48Å
959Q96.2Very high94.1Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-65.4-46.2173.5-51.1-53.1-66.400110.6L938 W955 A956 L962 I963 W985L938-Q959 PolarHBondContact O-NE2 3.42Å; W955-Q959 PolarHBondContact O-N 3.38Å; A956-Q959 PolarHBondContact O-N 2.7Å; Q959-L962 PolarHBondContact O-N 2.9Å; Q959-I963 HydrophobicContact CB-CD1 4.5Å; Q959-I963 WeakPolarHBondContact O-CD1 3.41Å; Q959-I963 WeakPolarHBondContact O-CG1 3.32Å; Q959-I963 PolarHBondContact O-N 2.9Å; Q959-W985 HydrophobicContact CB-CD2 4.18Å; Q959-W985 HydrophobicContact CB-CG 4.13Å; Q959-W985 HydrophobicContact CG-CD2 4.15Å; Q959-W985 HydrophobicContact CG-CG 3.84Å
960H97.1Very high93.9Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-61-47.3-177.8-177-87.7000111.9W690 A956 P957 L962 I963 E964 A1030 D1033W690-H960 AromaticContact CD1-CG 3.8Å; W690-H960 AromaticContact CD1-ND1 3.79Å; W690-H960 AromaticContact NE1-CG 3.56Å; W690-H960 AromaticContact NE1-ND1 3.32Å; W690-H960 PolarHBondContact NE1-ND1 2.99Å; A956-H960 WeakPolarHBondContact O-CB 3.46Å; A956-H960 PolarHBondContact O-N 3.27Å; P957-H960 PolarHBondContact O-N 3.46Å; H960-L962 PolarHBondContact O-N 3.47Å; H960-I963 PolarHBondContact O-N 3.1Å; H960-E964 PolarHBondContact O-N 3.28Å; H960-A1030 HydrophobicContact CB-CB 4.2Å; H960-D1033 IonicContact CD2-OD2 3.31Å; H960-D1033 IonicContact CE1-OD2 2.94Å; H960-D1033 IonicContact NE2-OD2 2.78Å; H960-D1033 PolarHBondContact NE2-OD2 3.32Å
961M96.6Very high94Very high12 Ų1218.2 Ų18.26%0.05911%0.108CC..Hα-helixtrans-61.4-43.6176.7-74.4-174.6-72.700112.3W690 F737 V904 Y907 P957 I963 E964 G965W690-M961 HydrophobicContact CZ2-CE 4.23Å; W690-M961 HydrophobicContact CZ2-CG 4.25Å; W690-M961 HydrophobicContact CZ2-SD 4.34Å; F737-M961 HydrophobicContact CZ-SD 3.98Å; V904-M961 HydrophobicContact CG1-SD 4.31Å; V904-M961 HydrophobicContact CG2-CE 4.11Å; V904-M961 HydrophobicContact CG2-SD 4.14Å; Y907-M961 WeakPolarHBondContact CB-O 3.39Å; Y907-M961 HydrophobicContact CD1-CB 4.46Å; Y907-M961 HydrophobicContact CD1-CG 3.97Å; Y907-M961 HydrophobicContact CD1-SD 4Å; Y907-M961 HydrophobicContact CD2-CB 4.23Å; Y907-M961 HydrophobicContact CD2-CG 4.07Å; Y907-M961 HydrophobicContact CE1-CG 4.3Å; Y907-M961 HydrophobicContact CE1-SD 4.31Å; Y907-M961 HydrophobicContact CE2-CG 4.37Å; Y907-M961 HydrophobicContact CG-CB 3.95Å; Y907-M961 HydrophobicContact CG-CG 3.85Å; Y907-M961 HydrophobicContact CG-SD 4.43Å; P957-M961 HydrophobicContact CB-CE 4.41Å; P957-M961 WeakPolarHBondContact O-CE 3.29Å; P957-M961 WeakPolarHBondContact O-CG 3.45Å; P957-M961 PolarHBondContact O-N 2.93Å; M961-I963 VanDerWaalsContact C-N 3.35Å; M961-I963 PolarHBondContact O-N 2.86Å; M961-E964 PolarHBondContact O-N 3.02Å; M961-G965 PolarHBondContact O-N 2.89Å
962L96.4Very high94Very high1 Ų122.8 Ų22.81%0.00514%0.139CC..Hα-helixtrans-57.8-48.8175.4171.262.4000111.4L900 V903 L926 L938 S958 Q959 H960 G965 L966 I981L900-L962 HydrophobicContact CD1-CD2 4.07Å; V903-L962 HydrophobicContact CB-CD1 4.17Å; V903-L962 HydrophobicContact CG1-CD1 4.23Å; V903-L962 HydrophobicContact CG2-CB 3.99Å; V903-L962 HydrophobicContact CG2-CD1 3.87Å; V903-L962 HydrophobicContact CG2-CG 4.49Å; L926-L962 HydrophobicContact CD1-CD1 3.81Å; L926-L962 HydrophobicContact CD1-CD2 4.12Å; L938-L962 HydrophobicContact CD1-CD2 4.22Å; L938-L962 HydrophobicContact CD2-CD2 3.62Å; L938-L962 HydrophobicContact CG-CD2 4.46Å; S958-L962 PolarHBondContact O-N 3.48Å; Q959-L962 PolarHBondContact O-N 2.9Å; H960-L962 PolarHBondContact O-N 3.47Å; L962-G965 PolarHBondContact O-N 3.18Å; L962-L966 HydrophobicContact CD1-CD1 3.69Å; L962-L966 HydrophobicContact CD1-CG 4.09Å; L962-L966 HydrophobicContact CG-CD1 4.05Å; L962-L966 WeakPolarHBondContact O-CG 3.46Å; L962-L966 PolarHBondContact O-N 3.03Å; L962-L966 VanDerWaalsContact O-N 3.08Å; L962-I981 HydrophobicContact CD2-CD1 4.5Å; L962-I981 HydrophobicContact CD2-CG2 4.19Å
963I97Very high94.1Very high0 Ų025.9 Ų25.90%015%0.151CC..Hα-helixtrans-62.7-46.7-178.4-66.3159000110.3Q959 H960 M961 G965 L966 R967 T978 I981 A982 L1034 Y1038Q959-I963 HydrophobicContact CB-CD1 4.5Å; Q959-I963 WeakPolarHBondContact O-CD1 3.41Å; Q959-I963 WeakPolarHBondContact O-CG1 3.32Å; Q959-I963 PolarHBondContact O-N 2.9Å; H960-I963 PolarHBondContact O-N 3.1Å; M961-I963 VanDerWaalsContact C-N 3.35Å; M961-I963 PolarHBondContact O-N 2.86Å; I963-G965 PolarHBondContact O-N 3.06Å; I963-L966 PolarHBondContact O-N 3.18Å; I963-R967 VanDerWaalsContact O-CB 3.29Å; I963-R967 WeakPolarHBondContact O-CB 3.47Å; I963-R967 PolarHBondContact O-N 3.4Å; I963-T978 HydrophobicContact CG2-CG2 3.94Å; I963-I981 HydrophobicContact CD1-CG2 4.41Å; I963-I981 HydrophobicContact CG1-CG2 3.93Å; I963-A982 HydrophobicContact CD1-CB 3.84Å; I963-A982 HydrophobicContact CG1-CB 4.26Å; I963-A982 HydrophobicContact CG2-CB 4.15Å; I963-L1034 HydrophobicContact CB-CD2 4.3Å; I963-L1034 HydrophobicContact CD1-CD1 3.7Å; I963-L1034 HydrophobicContact CD1-CD2 4.15Å; I963-L1034 HydrophobicContact CG2-CD2 3.66Å; I963-Y1038 HydrophobicContact CG2-CE2 3.92Å
964E95.1Very high94.1Very high27 Ų2725.8 Ų25.813%0.12615%0.151CC..Hα-helixtrans-64.7-38.4178.4-77.8-59.2104.300113.1Y907 H960 M961 L966 R967 K1037Y907-E964 HydrophobicContact CD2-CB 3.95Å; Y907-E964 HydrophobicContact CE2-CB 4.35Å; H960-E964 PolarHBondContact O-N 3.28Å; M961-E964 PolarHBondContact O-N 3.02Å; E964-L966 VanDerWaalsContact C-N 3.35Å; E964-R967 PolarHBondContact O-N 2.02Å; E964-R967 IonicContact OE1-CZ 2.65Å; E964-R967 IonicContact OE1-NE 3.98Å; E964-R967 PolarHBondContact OE1-NE 2.88Å; E964-R967 IonicContact OE1-NH2 3.9Å; E964-R967 IonicContact OE2-CZ 3.82Å; E964-R967 IonicContact OE2-NE 2.74Å; E964-R967 IonicContact OE2-NH2 3.73Å; E964-R967 PolarHBondContact OE2-NH2 3.27Å; E964-K1037 WeakPolarHBondContact OE1-CE 3.44Å; E964-K1037 IonicContact OE1-NZ 3.73Å; E964-K1037 PolarHBondContact OE1-NZ 3.34Å; E964-K1037 IonicContact OE2-NZ 3.75Å; E964-K1037 PolarHBondContact OE2-NZ 3.31Å
965G94.6Very high94.2Very high3 Ų328 Ų283%0.03116%0.161CC..Hα-helixtrans-62.2-42175.800000112.5R919 M961 L962 I963R919-G965 PolarHBondContact NE-O 3.23Å; M961-G965 PolarHBondContact O-N 2.89Å; L962-G965 PolarHBondContact O-N 3.18Å; I963-G965 PolarHBondContact O-N 3.06Å
966L95.2Very high94.2Very high0 Ų031.4 Ų31.40%018%0.177CC..Hα-helixtrans-74.5-35.1178.2-67.3169.5000112.9L906 R919 L923 L962 I963 E964 G968 S969 I974 T978 I981L906-L966 HydrophobicContact CD2-CD2 3.71Å; L906-L966 HydrophobicContact CD2-CG 4Å; R919-L966 HydrophobicContact CB-CD2 4.29Å; R919-L966 HydrophobicContact CG-CD2 4.47Å; L923-L966 HydrophobicContact CD1-CD2 4.12Å; L923-L966 HydrophobicContact CD2-CD1 3.86Å; L923-L966 HydrophobicContact CD2-CD2 4.17Å; L923-L966 HydrophobicContact CG-CD1 4.45Å; L923-L966 HydrophobicContact CG-CD2 3.83Å; L962-L966 HydrophobicContact CD1-CD1 3.69Å; L962-L966 HydrophobicContact CD1-CG 4.09Å; L962-L966 HydrophobicContact CG-CD1 4.05Å; L962-L966 WeakPolarHBondContact O-CG 3.46Å; L962-L966 PolarHBondContact O-N 3.03Å; L962-L966 VanDerWaalsContact O-N 3.08Å; I963-L966 PolarHBondContact O-N 3.18Å; E964-L966 VanDerWaalsContact C-N 3.35Å; L966-G968 PolarHBondContact O-N 3.48Å; L966-S969 WeakPolarHBondContact O-CB 3.41Å; L966-S969 PolarHBondContact O-N 3.29Å; L966-S969 VanDerWaalsContact O-N 3.08Å; L966-I974 HydrophobicContact CD2-CG2 4.44Å; L966-T978 HydrophobicContact CB-CG2 3.87Å; L966-T978 WeakPolarHBondContact CB-OG1 3.38Å; L966-I981 HydrophobicContact CD1-CD1 3.84Å
967R92.1Very high94.1Very high99 Ų9934.3 Ų34.337%0.37419%0.19SC..Hα-helixtrans-60.6-18.3-178.5-168.9174.972.293.83.6113.6I963 E964 S969 Q975 T978 Y1038I963-R967 VanDerWaalsContact O-CB 3.29Å; I963-R967 WeakPolarHBondContact O-CB 3.47Å; I963-R967 PolarHBondContact O-N 3.4Å; E964-R967 PolarHBondContact O-N 2.02Å; E964-R967 IonicContact OE1-CZ 2.65Å; E964-R967 IonicContact OE1-NE 3.98Å; E964-R967 PolarHBondContact OE1-NE 2.88Å; E964-R967 IonicContact OE1-NH2 3.9Å; E964-R967 IonicContact OE2-CZ 3.82Å; E964-R967 IonicContact OE2-NE 2.74Å; E964-R967 IonicContact OE2-NH2 3.73Å; E964-R967 PolarHBondContact OE2-NH2 3.27Å; R967-S969 PolarHBondContact O-N 3.47Å; R967-Q975 PolarHBondContact O-NE2 2.93Å; R967-T978 HydrophobicContact CB-CG2 4.38Å; R967-Y1038 WeakPolarHBondContact CD-OH 3.3Å
968G83.1Confident94.1Very high34 Ų3434.3 Ų34.335%0.35119%0.19SC..THydrogen-bonded Turntrans-66.3-12.6173.700000115.3L966L966-G968 PolarHBondContact O-N 3.48Å
969S89.4Confident94.1Very high7 Ų734.3 Ų34.35%0.04919%0.188CC..  trans-68.7146.1-179.5-173.60000113.1D916 L966 R967 N971 Q975D916-S969 WeakPolarHBondContact OD1-CA 3.42Å; D916-S969 WeakPolarHBondContact OD1-CB 3.46Å; D916-S969 PolarHBondContact OD1-OG 3.19Å; L966-S969 WeakPolarHBondContact O-CB 3.41Å; L966-S969 PolarHBondContact O-N 3.29Å; L966-S969 VanDerWaalsContact O-N 3.08Å; R967-S969 PolarHBondContact O-N 3.47Å; S969-N971 VanDerWaalsContact OG-CB 3.31Å; S969-N971 WeakPolarHBondContact OG-CB 3.45Å; S969-N971 PolarHBondContact OG-N 2.93Å; S969-Q975 PolarHBondContact O-NE2 3.34Å
970S87.1Confident94Very high105 Ų10537.9 Ų37.973%0.73421%0.205SC*.  trans-91.9-8.4165.258.90000112.7D916 P972D916-S970 PolarHBondContact OD1-N 3.48Å; D916-S970 PolarHBondContact OD2-OG 3.13Å; S970-P972 WeakPolarHBondContact O-CD 3.41Å
971N93.8Very high94Very high46 Ų4638.3 Ų38.325%0.24621%0.207CC..  trans-71.8123.5-178.1-171.2-66.4000112.6D916 S969 E973 I974 Q975D916-N971 HydrophobicContact CB-CB 4.09Å; D916-N971 WeakPolarHBondContact OD2-CB 3.11Å; D916-N971 PolarHBondContact OD2-N 3.04Å; S969-N971 VanDerWaalsContact OG-CB 3.31Å; S969-N971 WeakPolarHBondContact OG-CB 3.45Å; S969-N971 PolarHBondContact OG-N 2.93Å; N971-E973 VanDerWaalsContact C-N 3.33Å; N971-E973 PolarHBondContact O-N 2.78Å; N971-E973 WeakPolarHBondContact OD1-CA 3.33Å; N971-E973 WeakPolarHBondContact OD1-CB 3.22Å; N971-E973 PolarHBondContact OD1-N 2.93Å; N971-I974 HydrophobicContact CB-CB 4.11Å; N971-I974 HydrophobicContact CB-CD1 3.93Å; N971-I974 HydrophobicContact CB-CG1 3.95Å; N971-I974 PolarHBondContact O-N 3.08Å; N971-I974 PolarHBondContact OD1-N 3.1Å; N971-Q975 WeakPolarHBondContact O-CG 3.13Å; N971-Q975 PolarHBondContact O-N 2.82Å
972P94.3Very high93.9Very high104 Ų10437.7 Ų37.768%0.67520%0.204SC*.Hα-helixtrans-60.2-35.2179.8-2635.1000114.9S970 Q975 E976S970-P972 WeakPolarHBondContact O-CD 3.41Å; P972-Q975 PolarHBondContact O-N 3.4Å; P972-E976 WeakPolarHBondContact O-CB 3.29Å; P972-E976 PolarHBondContact O-N 2.97Å
973E95Very high93.9Very high86 Ų8640.6 Ų40.640%0.40222%0.216SC..Hα-helixtrans-65.7-43.5178.2-167.3-162.8160.900110.6K920 N971 E976 K977K920-E973 IonicContact NZ-OE2 3.06Å; K920-E973 PolarHBondContact NZ-OE2 3.45Å; N971-E973 VanDerWaalsContact C-N 3.33Å; N971-E973 PolarHBondContact O-N 2.78Å; N971-E973 WeakPolarHBondContact OD1-CA 3.33Å; N971-E973 WeakPolarHBondContact OD1-CB 3.22Å; N971-E973 PolarHBondContact OD1-N 2.93Å; E973-E976 PolarHBondContact O-N 3.38Å; E973-K977 WeakPolarHBondContact O-CG 3.25Å; E973-K977 PolarHBondContact O-N 3.35Å; E973-K977 IonicContact OE1-NZ 3.43Å
974I95.5Very high93.7Very high2 Ų243.5 Ų43.51%0.0123%0.229CC..Hα-helixtrans-68.6-42.9178.5-60.9-178.7000110.1D916 R919 K920 L923 L966 N971 E976 K977 T978D916-I974 HydrophobicContact CB-CD1 4.05Å; D916-I974 VanDerWaalsContact O-CD1 3.3Å; D916-I974 WeakPolarHBondContact O-CD1 3.11Å; R919-I974 HydrophobicContact CB-CD1 3.78Å; R919-I974 HydrophobicContact CB-CG2 4.22Å; K920-I974 HydrophobicContact CB-CD1 4.19Å; L923-I974 HydrophobicContact CD1-CB 4.42Å; L923-I974 HydrophobicContact CD1-CG1 4.22Å; L923-I974 HydrophobicContact CD1-CG2 4.02Å; L966-I974 HydrophobicContact CD2-CG2 4.44Å; N971-I974 HydrophobicContact CB-CB 4.11Å; N971-I974 HydrophobicContact CB-CD1 3.93Å; N971-I974 HydrophobicContact CB-CG1 3.95Å; N971-I974 PolarHBondContact O-N 3.08Å; N971-I974 PolarHBondContact OD1-N 3.1Å; I974-E976 VanDerWaalsContact C-N 3.29Å; I974-E976 PolarHBondContact O-N 3.33Å; I974-K977 PolarHBondContact O-N 2.8Å; I974-T978 WeakPolarHBondContact O-CB 3.09Å; I974-T978 PolarHBondContact O-N 3.26Å; I974-T978 PolarHBondContact O-OG1 3.04Å
975Q94.8Very high93.7Very high46 Ų4642.2 Ų42.222%0.21522%0.223CC..Hα-helixtrans-59.7-40.1174.8-74-63.3-29.700112.1R967 S969 N971 P972 T978 F979R967-Q975 PolarHBondContact O-NE2 2.93Å; S969-Q975 PolarHBondContact O-NE2 3.34Å; N971-Q975 WeakPolarHBondContact O-CG 3.13Å; N971-Q975 PolarHBondContact O-N 2.82Å; P972-Q975 PolarHBondContact O-N 3.4Å; Q975-T978 PolarHBondContact O-N 3.49Å; Q975-F979 WeakPolarHBondContact O-CB 3.33Å; Q975-F979 PolarHBondContact O-N 3.31Å
976E95.8Very high93.7Very high75 Ų7542.1 Ų42.135%0.3522%0.222SC..Hα-helixtrans-66.3-48175.7-174.555.1-150.600111.9P972 E973 I974 T978 F979 Q980 R1041P972-E976 WeakPolarHBondContact O-CB 3.29Å; P972-E976 PolarHBondContact O-N 2.97Å; E973-E976 PolarHBondContact O-N 3.38Å; I974-E976 VanDerWaalsContact C-N 3.29Å; I974-E976 PolarHBondContact O-N 3.33Å; E976-T978 VanDerWaalsContact C-N 3.26Å; E976-T978 PolarHBondContact O-N 3Å; E976-F979 WeakPolarHBondContact O-CB 3.06Å; E976-F979 PolarHBondContact O-N 2.94Å; E976-Q980 WeakPolarHBondContact O-CG 3.5Å; E976-Q980 PolarHBondContact O-N 2.85Å; E976-Q980 PolarHBondContact OE1-NE2 2.93Å; E976-R1041 IonicContact OE1-NH2 2.94Å; E976-R1041 IonicContact OE2-CZ 3.23Å; E976-R1041 IonicContact OE2-NH1 2.92Å; E976-R1041 IonicContact OE2-NH2 3.12Å; E976-R1041 PolarHBondContact OE2-NH2 2.9Å
977K95.1Very high93.6Very high61 Ų6143.4 Ų43.427%0.26523%0.228SC..Hα-helixtrans-58.5-40.4175.2-74.8-176.4176.6-1700111.8L923 E927 E973 I974 Q980 I981L923-K977 HydrophobicContact CD1-CB 4.17Å; L923-K977 HydrophobicContact CD1-CD 3.91Å; L923-K977 HydrophobicContact CD2-CB 4.41Å; E927-K977 IonicContact OE2-NZ 3.68Å; E973-K977 WeakPolarHBondContact O-CG 3.25Å; E973-K977 PolarHBondContact O-N 3.35Å; E973-K977 IonicContact OE1-NZ 3.43Å; I974-K977 PolarHBondContact O-N 2.8Å; K977-Q980 PolarHBondContact O-N 3.36Å; K977-I981 WeakPolarHBondContact O-CG1 3.5Å; K977-I981 PolarHBondContact O-N 2.96Å
978T96Very high93.7Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-62-46.5176.5-54.10000111.3I963 L966 R967 I974 Q975 E976 Q980 I981 A982 Y1038I963-T978 HydrophobicContact CG2-CG2 3.94Å; L966-T978 HydrophobicContact CB-CG2 3.87Å; L966-T978 WeakPolarHBondContact CB-OG1 3.38Å; R967-T978 HydrophobicContact CB-CG2 4.38Å; I974-T978 WeakPolarHBondContact O-CB 3.09Å; I974-T978 PolarHBondContact O-N 3.26Å; I974-T978 PolarHBondContact O-OG1 3.04Å; Q975-T978 PolarHBondContact O-N 3.49Å; E976-T978 VanDerWaalsContact C-N 3.26Å; E976-T978 PolarHBondContact O-N 3Å; T978-Q980 VanDerWaalsContact C-N 3.32Å; T978-Q980 PolarHBondContact O-N 3.11Å; T978-I981 PolarHBondContact O-N 2.86Å; T978-A982 PolarHBondContact O-N 3.33Å; T978-Y1038 WeakPolarHBondContact CG2-OH 3.17Å
979F95.9Very high94.3Very high12 Ų1237 Ų375%0.05319%0.193CC..Hα-helixtrans-59.2-42.5174.5169.9-109.2000111.7Q975 E976 I981 A982 K983 Y1038 R1041 L1042Q975-F979 WeakPolarHBondContact O-CB 3.33Å; Q975-F979 PolarHBondContact O-N 3.31Å; E976-F979 WeakPolarHBondContact O-CB 3.06Å; E976-F979 PolarHBondContact O-N 2.94Å; F979-I981 PolarHBondContact O-N 3.34Å; F979-A982 PolarHBondContact O-N 3.09Å; F979-K983 HydrophobicContact CE1-CD 4.35Å; F979-K983 HydrophobicContact CZ-CD 4.36Å; F979-K983 VanDerWaalsContact O-CB 3.24Å; F979-K983 WeakPolarHBondContact O-CB 3.31Å; F979-K983 PolarHBondContact O-N 3.29Å; F979-Y1038 HydrophobicContact CB-CD1 4.44Å; F979-Y1038 HydrophobicContact CB-CE1 4.3Å; F979-Y1038 AromaticContact CD2-CD1 3.67Å; F979-Y1038 HydrophobicContact CD2-CD1 3.67Å; F979-Y1038 HydrophobicContact CD2-CE1 4.35Å; F979-Y1038 HydrophobicContact CD2-CG 4.02Å; F979-Y1038 HydrophobicContact CE2-CD1 4.5Å; F979-R1041 HydrophobicContact CD2-CB 4.48Å; F979-R1041 HydrophobicContact CE2-CB 3.72Å; F979-R1041 HydrophobicContact CZ-CB 3.86Å; F979-L1042 HydrophobicContact CE2-CD2 3.95Å; F979-L1042 HydrophobicContact CE2-CG 4.22Å; F979-L1042 HydrophobicContact CZ-CD2 4.3Å
980Q94.8Very high94.5Very high75 Ų7537.4 Ų37.435%0.3519%0.194SC..Hα-helixtrans-64.2-38.3177.3-64.3-57.1-32.700112.5E976 K977 T978 K983 K984E976-Q980 WeakPolarHBondContact O-CG 3.5Å; E976-Q980 PolarHBondContact O-N 2.85Å; E976-Q980 PolarHBondContact OE1-NE2 2.93Å; K977-Q980 PolarHBondContact O-N 3.36Å; T978-Q980 VanDerWaalsContact C-N 3.32Å; T978-Q980 PolarHBondContact O-N 3.11Å; Q980-K983 PolarHBondContact O-N 3.38Å; Q980-K984 WeakPolarHBondContact O-CG 3.16Å; Q980-K984 PolarHBondContact O-N 3.47Å
981I95.8Very high94.7Very high9 Ų934.7 Ų34.75%0.04617%0.167CC..Hα-helixtrans-63.2-48.2174.2-66.9164.3000110.4L923 L932 L938 L962 I963 L966 K977 T978 F979 K983 K984 W985L923-I981 HydrophobicContact CD2-CD1 4.04Å; L932-I981 HydrophobicContact CD2-CD1 3.85Å; L932-I981 HydrophobicContact CD2-CG1 4.06Å; L938-I981 HydrophobicContact CD1-CG2 4.01Å; L962-I981 HydrophobicContact CD2-CD1 4.5Å; L962-I981 HydrophobicContact CD2-CG2 4.19Å; I963-I981 HydrophobicContact CD1-CG2 4.41Å; I963-I981 HydrophobicContact CG1-CG2 3.93Å; L966-I981 HydrophobicContact CD1-CD1 3.84Å; K977-I981 WeakPolarHBondContact O-CG1 3.5Å; K977-I981 PolarHBondContact O-N 2.96Å; T978-I981 PolarHBondContact O-N 2.86Å; F979-I981 PolarHBondContact O-N 3.34Å; I981-K983 PolarHBondContact O-N 2.98Å; I981-K984 PolarHBondContact O-N 3.49Å; I981-W985 PolarHBondContact O-N 3Å
982A96Very high94.7Very high0 Ų032.5 Ų32.50%016%0.155CC..Hα-helixtrans-60.8-44.6177.400000111.9I963 T978 F979 K984 W985 L986 Y1038I963-A982 HydrophobicContact CD1-CB 3.84Å; I963-A982 HydrophobicContact CG1-CB 4.26Å; I963-A982 HydrophobicContact CG2-CB 4.15Å; T978-A982 PolarHBondContact O-N 3.33Å; F979-A982 PolarHBondContact O-N 3.09Å; A982-K984 PolarHBondContact O-N 2.96Å; A982-W985 PolarHBondContact O-N 3.13Å; A982-L986 WeakPolarHBondContact O-CB 3.18Å; A982-L986 WeakPolarHBondContact O-CG 3.42Å; A982-L986 PolarHBondContact O-N 2.76Å; A982-Y1038 HydrophobicContact CB-CD2 3.82Å; A982-Y1038 HydrophobicContact CB-CE2 3.78Å
983K94.8Very high94.7Very high61 Ų6128.1 Ų28.127%0.26513%0.126SC..Hα-helixtrans-59.3-47.2177.6-179.3-177174.3-174.20111.6F979 Q980 I981 W985 L986 E987 L1042F979-K983 HydrophobicContact CE1-CD 4.35Å; F979-K983 HydrophobicContact CZ-CD 4.36Å; F979-K983 VanDerWaalsContact O-CB 3.24Å; F979-K983 WeakPolarHBondContact O-CB 3.31Å; F979-K983 PolarHBondContact O-N 3.29Å; Q980-K983 PolarHBondContact O-N 3.38Å; I981-K983 PolarHBondContact O-N 2.98Å; K983-W985 VanDerWaalsContact C-N 3.32Å; K983-W985 PolarHBondContact O-N 3.18Å; K983-L986 PolarHBondContact O-N 3.02Å; K983-E987 WeakPolarHBondContact O-CB 3.46Å; K983-E987 PolarHBondContact O-N 2.96Å; K983-L1042 HydrophobicContact CB-CD2 4.09Å; K983-L1042 HydrophobicContact CG-CD2 4Å
984K93.2Very high94.5Very high62 Ų6228 Ų2827%0.2713%0.127SC..Hα-helixtrans-53.9-49.6177.9-81.1-178.9170.8-165.60111.5L932 V934 R935 Y936 Q980 I981 A982 E987 L988L932-K984 PolarHBondContact O-NZ 3.46Å; V934-K984 PolarHBondContact O-NZ 3.24Å; R935-K984 WeakPolarHBondContact O-CD 3.47Å; R935-K984 WeakPolarHBondContact O-CE 3.38Å; Y936-K984 CarbonylContact O-C 3.49Å; Y936-K984 VanDerWaalsContact O-C 3.28Å; Y936-K984 VanDerWaalsContact O-O 3.06Å; Q980-K984 WeakPolarHBondContact O-CG 3.16Å; Q980-K984 PolarHBondContact O-N 3.47Å; I981-K984 PolarHBondContact O-N 3.49Å; A982-K984 PolarHBondContact O-N 2.96Å; K984-E987 PolarHBondContact O-N 2.8Å; K984-L988 PolarHBondContact O-N 3.13Å
985W95Very high94.3Very high0 Ų035.7 Ų35.70%016%0.157CC..Hα-helixtrans-72.4-40-177.1-173.272.9000112.8Y936 A956 Q959 I981 A982 K983 E987 L988 N989 A1030 A1031 L1034Y936-W985 WeakPolarHBondContact O-CA 3.46Å; Y936-W985 PolarHBondContact O-N 3.38Å; A956-W985 HydrophobicContact CB-CH2 3.62Å; A956-W985 HydrophobicContact CB-CZ2 3.41Å; A956-W985 VanDerWaalsContact CB-CZ2 3.41Å; Q959-W985 HydrophobicContact CB-CD2 4.18Å; Q959-W985 HydrophobicContact CB-CG 4.13Å; Q959-W985 HydrophobicContact CG-CD2 4.15Å; Q959-W985 HydrophobicContact CG-CG 3.84Å; I981-W985 PolarHBondContact O-N 3Å; A982-W985 PolarHBondContact O-N 3.13Å; K983-W985 VanDerWaalsContact C-N 3.32Å; K983-W985 PolarHBondContact O-N 3.18Å; W985-E987 VanDerWaalsContact C-N 3.32Å; W985-E987 PolarHBondContact O-N 2.95Å; W985-L988 VanDerWaalsContact O-CB 3.31Å; W985-L988 WeakPolarHBondContact O-CB 3.22Å; W985-L988 PolarHBondContact O-N 3.44Å; W985-N989 VanDerWaalsContact CD2-ND2 3.28Å; W985-N989 VanDerWaalsContact CZ2-ND2 3.26Å; W985-N989 WeakPolarHBondContact CZ2-ND2 3.26Å; W985-N989 PolarHBondContact NE1-ND2 3.43Å; W985-N989 PolarHBondContact O-N 2.97Å; W985-N989 VanDerWaalsContact O-N 3.07Å; W985-N989 PolarHBondContact O-ND2 2.94Å; W985-A1030 HydrophobicContact CH2-CB 3.99Å; W985-A1030 HydrophobicContact CZ3-CB 4.24Å; W985-A1031 HydrophobicContact CZ3-CB 4.35Å; W985-L1034 HydrophobicContact CE3-CD1 3.87Å; W985-L1034 HydrophobicContact CZ3-CD1 3.96Å
986L95.2Very high94.2Very high0 Ų035.3 Ų35.30%016%0.157CC..Hα-helixtrans-63.4-39.8174.1-72.7173.8000111.7W638 A982 K983 L988 N989 Y990 A1031 L1034 L1035 L1042W638-L986 HydrophobicContact CH2-CD2 4.2Å; W638-L986 HydrophobicContact CZ3-CD2 4.07Å; A982-L986 WeakPolarHBondContact O-CB 3.18Å; A982-L986 WeakPolarHBondContact O-CG 3.42Å; A982-L986 PolarHBondContact O-N 2.76Å; K983-L986 PolarHBondContact O-N 3.02Å; L986-L988 VanDerWaalsContact C-N 3.34Å; L986-L988 PolarHBondContact O-N 3.32Å; L986-N989 PolarHBondContact O-N 3.18Å; L986-Y990 WeakPolarHBondContact O-CB 3.47Å; L986-Y990 PolarHBondContact O-N 3.22Å; L986-A1031 HydrophobicContact CD2-CB 4.12Å; L986-L1034 HydrophobicContact CD1-CB 4.01Å; L986-L1034 HydrophobicContact CD2-CB 4.12Å; L986-L1034 HydrophobicContact CG-CB 4.35Å; L986-L1035 HydrophobicContact CD1-CD2 4.38Å; L986-L1035 HydrophobicContact CD2-CG 4.24Å; L986-L1042 HydrophobicContact CD1-CD1 3.53Å; L986-L1042 HydrophobicContact CD1-CD2 4.46Å
987E93Very high93.9Very high27 Ų2735.2 Ų35.213%0.12618%0.176CC..Hα-helixtrans-62.5-41.1175-175-178.9158.600111.5K983 K984 W985 Y990 R991 P1045K983-E987 WeakPolarHBondContact O-CB 3.46Å; K983-E987 PolarHBondContact O-N 2.96Å; K984-E987 PolarHBondContact O-N 2.8Å; W985-E987 VanDerWaalsContact C-N 3.32Å; W985-E987 PolarHBondContact O-N 2.95Å; E987-Y990 PolarHBondContact O-N 3.28Å; E987-R991 HydrophobicContact CG-CG 4.34Å; E987-R991 WeakPolarHBondContact O-CB 3.25Å; E987-R991 VanDerWaalsContact O-CG 3.23Å; E987-R991 WeakPolarHBondContact O-CG 3.47Å; E987-R991 PolarHBondContact O-N 3.34Å; E987-R991 IonicContact OE1-CZ 3.01Å; E987-R991 IonicContact OE1-NE 2.62Å; E987-R991 PolarHBondContact OE1-NE 2.89Å; E987-R991 IonicContact OE1-NH2 2.64Å; E987-R991 PolarHBondContact OE1-NH2 3.44Å; E987-P1045 HydrophobicContact CG-CG 4.17Å; E987-P1045 WeakPolarHBondContact OE1-CG 3.45Å
988L94.1Very high93.7Very high0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-55.6-53.8173.1179.654.7000111.6Y936 K984 W985 L986 Y990 R991 V992 Y1004 N1005 V1006 G1009Y936-L988 HydrophobicContact CG-CD1 4.39Å; K984-L988 PolarHBondContact O-N 3.13Å; W985-L988 VanDerWaalsContact O-CB 3.31Å; W985-L988 WeakPolarHBondContact O-CB 3.22Å; W985-L988 PolarHBondContact O-N 3.44Å; L986-L988 VanDerWaalsContact C-N 3.34Å; L986-L988 PolarHBondContact O-N 3.32Å; L988-Y990 VanDerWaalsContact C-N 3.32Å; L988-Y990 PolarHBondContact O-N 2.65Å; L988-R991 PolarHBondContact O-N 3.24Å; L988-V992 HydrophobicContact CD1-CG2 4.12Å; L988-V992 WeakPolarHBondContact O-CB 2.91Å; L988-V992 VanDerWaalsContact O-CG2 3.26Å; L988-V992 WeakPolarHBondContact O-CG2 3.35Å; L988-V992 PolarHBondContact O-N 3.34Å; L988-Y1004 HydrophobicContact CD2-CG 4.38Å; L988-Y1004 HydrophobicContact CG-CD1 4.42Å; L988-Y1004 HydrophobicContact CG-CG 4.4Å; L988-N1005 WeakPolarHBondContact CD1-O 3.45Å; L988-V1006 HydrophobicContact CD2-CG1 3.85Å; L988-G1009 VanDerWaalsContact CD1-CA 3.5Å
989N95Very high93.6Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-60.7-44.9-178-79.6-102.8000110.5W638 W985 L986 V992 F993 M1000 Y1004W638-N989 HydrophobicContact CH2-CB 3.67Å; W638-N989 HydrophobicContact CZ2-CB 3.72Å; W985-N989 VanDerWaalsContact CD2-ND2 3.28Å; W985-N989 VanDerWaalsContact CZ2-ND2 3.26Å; W985-N989 WeakPolarHBondContact CZ2-ND2 3.26Å; W985-N989 PolarHBondContact NE1-ND2 3.43Å; W985-N989 PolarHBondContact O-N 2.97Å; W985-N989 VanDerWaalsContact O-N 3.07Å; W985-N989 PolarHBondContact O-ND2 2.94Å; L986-N989 PolarHBondContact O-N 3.18Å; N989-V992 PolarHBondContact O-N 3.08Å; N989-F993 VanDerWaalsContact O-CB 3.23Å; N989-F993 WeakPolarHBondContact O-CB 3.32Å; N989-F993 PolarHBondContact O-N 2.91Å; N989-M1000 HydrophobicContact CB-CE 4.49Å; N989-Y1004 WeakPolarHBondContact OD1-CE2 3.34Å; N989-Y1004 PolarHBondContact OD1-OH 3.17Å; N989-Y1004 VanDerWaalsContact OD1-OH 3.05Å
990Y93.6Very high93.7Very high15 Ų1536.3 Ų36.36%0.05919%0.186CC..Hα-helixtrans-64.4-43.6178.9-178.3-116.7000112.6Y635 W638 L986 E987 L988 V992 F993 L994 V1044Y635-Y990 HydrophobicContact CD1-CG 4.49Å; Y635-Y990 HydrophobicContact CE1-CD1 4.17Å; Y635-Y990 HydrophobicContact CE1-CD2 4.5Å; Y635-Y990 AromaticContact CE1-CG 3.96Å; Y635-Y990 HydrophobicContact CE1-CG 3.96Å; W638-Y990 HydrophobicContact CB-CD2 3.91Å; W638-Y990 HydrophobicContact CB-CE2 3.88Å; W638-Y990 AromaticContact CD1-CD2 3.95Å; W638-Y990 AromaticContact CD2-CD2 3.74Å; W638-Y990 HydrophobicContact CD2-CD2 3.74Å; W638-Y990 HydrophobicContact CE3-CD2 4.21Å; W638-Y990 AromaticContact CG-CD2 3.6Å; W638-Y990 HydrophobicContact CG-CD2 3.6Å; W638-Y990 HydrophobicContact CG-CE2 4.04Å; L986-Y990 WeakPolarHBondContact O-CB 3.47Å; L986-Y990 PolarHBondContact O-N 3.22Å; E987-Y990 PolarHBondContact O-N 3.28Å; L988-Y990 VanDerWaalsContact C-N 3.32Å; L988-Y990 PolarHBondContact O-N 2.65Å; Y990-V992 PolarHBondContact O-N 2.79Å; Y990-F993 WeakPolarHBondContact O-CB 3.47Å; Y990-F993 PolarHBondContact O-N 2.89Å; Y990-L994 HydrophobicContact CD1-CD1 4.2Å; Y990-L994 HydrophobicContact CE1-CD1 3.62Å; Y990-L994 HydrophobicContact CE1-CG 4.32Å; Y990-L994 HydrophobicContact CE2-CD1 4.26Å; Y990-L994 HydrophobicContact CE2-CD2 4.18Å; Y990-L994 HydrophobicContact CE2-CG 4.11Å; Y990-L994 WeakPolarHBondContact O-CG 3.47Å; Y990-L994 PolarHBondContact O-N 2.83Å; Y990-V1044 HydrophobicContact CD1-CG1 4.18Å; Y990-V1044 HydrophobicContact CE1-CB 4.46Å; Y990-V1044 HydrophobicContact CE1-CG1 3.59Å
991R92.5Very high93.8Very high47 Ų4733.6 Ų33.618%0.17717%0.173CC..Hα-helixtrans-61.2-45.1175.8-76.5172.7176.4-95.7-3.1112E987 L988 L994 R995 G1009 F1010E987-R991 HydrophobicContact CG-CG 4.34Å; E987-R991 WeakPolarHBondContact O-CB 3.25Å; E987-R991 VanDerWaalsContact O-CG 3.23Å; E987-R991 WeakPolarHBondContact O-CG 3.47Å; E987-R991 PolarHBondContact O-N 3.34Å; E987-R991 IonicContact OE1-CZ 3.01Å; E987-R991 IonicContact OE1-NE 2.62Å; E987-R991 PolarHBondContact OE1-NE 2.89Å; E987-R991 IonicContact OE1-NH2 2.64Å; E987-R991 PolarHBondContact OE1-NH2 3.44Å; L988-R991 PolarHBondContact O-N 3.24Å; R991-L994 PolarHBondContact O-N 3.27Å; R991-R995 WeakPolarHBondContact O-CB 3.5Å; R991-R995 PolarHBondContact O-N 3.07Å; R991-G1009 VanDerWaalsContact CB-O 3.32Å; R991-G1009 WeakPolarHBondContact CB-O 3.02Å; R991-F1010 HydrophobicContact CB-CD1 4.18Å; R991-F1010 HydrophobicContact CB-CE1 4.42Å; R991-F1010 HydrophobicContact CG-CE1 4.39Å; R991-F1010 VanDerWaalsContact NH1-CE1 3.27Å
992V93.3Very high93.7Very high0 Ų033.2 Ų33.20%017%0.171CC..Hα-helixtrans-65.9-41.9178.1173.80000110.2L988 N989 Y990 L994 R995 T996 F1001 Y1004L988-V992 HydrophobicContact CD1-CG2 4.12Å; L988-V992 WeakPolarHBondContact O-CB 2.91Å; L988-V992 VanDerWaalsContact O-CG2 3.26Å; L988-V992 WeakPolarHBondContact O-CG2 3.35Å; L988-V992 PolarHBondContact O-N 3.34Å; N989-V992 PolarHBondContact O-N 3.08Å; Y990-V992 PolarHBondContact O-N 2.79Å; V992-L994 PolarHBondContact O-N 3.05Å; V992-R995 PolarHBondContact O-N 2.69Å; V992-T996 HydrophobicContact CG1-CG2 4.17Å; V992-T996 WeakPolarHBondContact O-CB 3.22Å; V992-T996 WeakPolarHBondContact O-CG2 3.36Å; V992-T996 PolarHBondContact O-N 3.16Å; V992-T996 PolarHBondContact O-OG1 3.26Å; V992-F1001 HydrophobicContact CG1-CD2 3.72Å; V992-F1001 HydrophobicContact CG1-CE2 3.79Å; V992-Y1004 HydrophobicContact CB-CD1 4.03Å; V992-Y1004 HydrophobicContact CB-CE1 3.85Å; V992-Y1004 HydrophobicContact CG1-CD1 4Å; V992-Y1004 HydrophobicContact CG1-CE1 3.69Å; V992-Y1004 HydrophobicContact CG2-CD1 3.94Å; V992-Y1004 HydrophobicContact CG2-CE1 4.29Å
993F93.6Very high93.6Very high12 Ų1233.2 Ų33.25%0.05317%0.171CC..Hα-helixtrans-55.5-50.5174.4170.6-88.2000111.8W638 T641 N989 Y990 T996 G997 G998 K999 M1000W638-F993 AromaticContact CD1-CD1 3.45Å; W638-F993 VanDerWaalsContact CD1-CD1 3.45Å; W638-F993 AromaticContact CD1-CD2 3.74Å; W638-F993 AromaticContact CD1-CE1 3.58Å; W638-F993 AromaticContact CD1-CE2 3.82Å; W638-F993 AromaticContact CD1-CG 3.56Å; W638-F993 AromaticContact CD1-CZ 3.76Å; W638-F993 AromaticContact NE1-CD1 3.68Å; W638-F993 AromaticContact NE1-CD2 3.43Å; W638-F993 AromaticContact NE1-CE2 3.94Å; W638-F993 AromaticContact NE1-CG 3.28Å; W638-F993 VanDerWaalsContact NE1-CG 3.28Å; T641-F993 HydrophobicContact CG2-CE2 3.96Å; T641-F993 HydrophobicContact CG2-CZ 3.63Å; N989-F993 VanDerWaalsContact O-CB 3.23Å; N989-F993 WeakPolarHBondContact O-CB 3.32Å; N989-F993 PolarHBondContact O-N 2.91Å; Y990-F993 WeakPolarHBondContact O-CB 3.47Å; Y990-F993 PolarHBondContact O-N 2.89Å; F993-T996 PolarHBondContact O-N 3.45Å; F993-T996 PolarHBondContact O-OG1 2.98Å; F993-G997 PolarHBondContact O-N 3.06Å; F993-G998 VanDerWaalsContact CD2-C 3.41Å; F993-G998 VanDerWaalsContact CE2-C 3.4Å; F993-G998 VanDerWaalsContact CE2-O 3.23Å; F993-G998 WeakPolarHBondContact CE2-O 3.31Å; F993-G998 WeakPolarHBondContact O-CA 3.41Å; F993-G998 PolarHBondContact O-N 3Å; F993-K999 WeakPolarHBondContact CA-O 3.24Å; F993-M1000 HydrophobicContact CB-SD 4.27Å; F993-M1000 HydrophobicContact CD2-CG 4.27Å; F993-M1000 HydrophobicContact CD2-SD 4.11Å
994L91.6Very high93.7Very high83 Ų8330.3 Ų30.344%0.43516%0.159SC..Hα-helixtrans-61.4-47.7177.8-70.1178.6000111.8Y990 R991 V992 T996 G997Y990-L994 HydrophobicContact CD1-CD1 4.2Å; Y990-L994 HydrophobicContact CE1-CD1 3.62Å; Y990-L994 HydrophobicContact CE1-CG 4.32Å; Y990-L994 HydrophobicContact CE2-CD1 4.26Å; Y990-L994 HydrophobicContact CE2-CD2 4.18Å; Y990-L994 HydrophobicContact CE2-CG 4.11Å; Y990-L994 WeakPolarHBondContact O-CG 3.47Å; Y990-L994 PolarHBondContact O-N 2.83Å; R991-L994 PolarHBondContact O-N 3.27Å; V992-L994 PolarHBondContact O-N 3.05Å; L994-T996 VanDerWaalsContact C-N 3.26Å; L994-T996 PolarHBondContact O-N 2.92Å; L994-G997 PolarHBondContact O-N 2.81Å
995R91.2Very high93.8Very high165 Ų16528.6 Ų28.662%0.62315%0.153SC*.Hα-helixtrans-66.5-28.7-175.7-173.8172178.2169.6-3.2113.3R991 V992 F1010R991-R995 WeakPolarHBondContact O-CB 3.5Å; R991-R995 PolarHBondContact O-N 3.07Å; V992-R995 PolarHBondContact O-N 2.69Å; R995-F1010 WeakPolarHBondContact CD-O 3.36Å
996T91.8Very high93.8Very high37 Ų3728.6 Ų28.623%0.22715%0.153CC..THydrogen-bonded Turntrans-97.98-175.358.40000113.5V992 F993 L994 K999 F1001V992-T996 HydrophobicContact CG1-CG2 4.17Å; V992-T996 WeakPolarHBondContact O-CB 3.22Å; V992-T996 WeakPolarHBondContact O-CG2 3.36Å; V992-T996 PolarHBondContact O-N 3.16Å; V992-T996 PolarHBondContact O-OG1 3.26Å; F993-T996 PolarHBondContact O-N 3.45Å; F993-T996 PolarHBondContact O-OG1 2.98Å; L994-T996 VanDerWaalsContact C-N 3.26Å; L994-T996 PolarHBondContact O-N 2.92Å; T996-K999 WeakPolarHBondContact O-CD 3.37Å; T996-K999 WeakPolarHBondContact O-CG 3.38Å; T996-K999 WeakPolarHBondContact OG1-CB 3.5Å; T996-F1001 HydrophobicContact CG2-CE2 3.73Å; T996-F1001 HydrophobicContact CG2-CZ 3.91Å
997G90.3Very high93.6Very high73 Ų7332.5 Ų32.575%0.75317%0.171SC*.THydrogen-bonded Turntrans75.235.7178.500000113.3F993 L994F993-G997 PolarHBondContact O-N 3.06Å; L994-G997 PolarHBondContact O-N 2.81Å
998G91.4Very high93.2Very high18 Ų1834.1 Ų34.119%0.18618%0.18CC..SBendtrans93.819.6174.800000115.2K645 F993K645-G998 WeakPolarHBondContact CE-O 3.42Å; K645-G998 PolarHBondContact NZ-O 3.43Å; F993-G998 VanDerWaalsContact CD2-C 3.41Å; F993-G998 VanDerWaalsContact CE2-C 3.4Å; F993-G998 VanDerWaalsContact CE2-O 3.23Å; F993-G998 WeakPolarHBondContact CE2-O 3.31Å; F993-G998 WeakPolarHBondContact O-CA 3.41Å; F993-G998 PolarHBondContact O-N 3Å
999K94.3Very high92.3Very high79 Ų7934.1 Ų34.134%0.34318%0.18SC..  trans-91.1150.2-178.5-56.9-179168.6-145.20111.7F993 T996 F1001 E1022F993-K999 WeakPolarHBondContact CA-O 3.24Å; T996-K999 WeakPolarHBondContact O-CD 3.37Å; T996-K999 WeakPolarHBondContact O-CG 3.38Å; T996-K999 WeakPolarHBondContact OG1-CB 3.5Å; K999-F1001 HydrophobicContact CB-CE2 3.72Å; K999-F1001 HydrophobicContact CB-CZ 3.75Å; K999-F1001 HydrophobicContact CD-CZ 4.18Å; K999-E1022 HydrophobicContact CB-CG 4.23Å; K999-E1022 HydrophobicContact CD-CG 4.48Å; K999-E1022 VanDerWaalsContact CD-OE2 3.27Å; K999-E1022 WeakPolarHBondContact CD-OE2 3.24Å; K999-E1022 VanDerWaalsContact CE-OE2 3.26Å; K999-E1022 WeakPolarHBondContact CE-OE2 3.5Å; K999-E1022 HydrophobicContact CG-CG 4.44Å; K999-E1022 WeakPolarHBondContact CG-OE1 3.39Å; K999-E1022 IonicContact NZ-OE1 3.33Å; K999-E1022 IonicContact NZ-OE2 2.97Å; K999-E1022 PolarHBondContact NZ-OE2 3.32Å
1000M96.7Very high91.8Very high0 Ų037.5 Ų37.50%020%0.195CC..  trans-123.4143.4173.4-68.6-69.6-71.800107.6W638 V642 K645 N989 F993 E1022 G1023 N1028 A1031W638-M1000 HydrophobicContact CZ2-CE 3.91Å; W638-M1000 HydrophobicContact CZ2-SD 3.89Å; V642-M1000 HydrophobicContact CG2-CE 4.34Å; V642-M1000 HydrophobicContact CG2-CG 4.3Å; V642-M1000 HydrophobicContact CG2-SD 4.2Å; K645-M1000 HydrophobicContact CD-CB 4.23Å; K645-M1000 HydrophobicContact CD-CG 3.99Å; K645-M1000 VanDerWaalsContact CE-CG 3.44Å; N989-M1000 HydrophobicContact CB-CE 4.49Å; F993-M1000 HydrophobicContact CB-SD 4.27Å; F993-M1000 HydrophobicContact CD2-CG 4.27Å; F993-M1000 HydrophobicContact CD2-SD 4.11Å; M1000-E1022 WeakPolarHBondContact O-CA 3.47Å; M1000-G1023 PolarHBondContact O-N 3.47Å; M1000-N1028 VanDerWaalsContact CB-OD1 3.25Å; M1000-N1028 WeakPolarHBondContact CB-OD1 3.14Å; M1000-N1028 WeakPolarHBondContact CG-OD1 3.19Å; M1000-A1031 HydrophobicContact CE-CB 4.39Å
1001F96.7Very high91.7Very high17 Ų1739 Ų398%0.07521%0.206CC..BIsolated β-bridgetrans-124160.8-170.1-63.3-88.7000112.3V992 T996 K999 K1003 Y1004 P1012 V1020 Q1021 F1024 S1027V992-F1001 HydrophobicContact CG1-CD2 3.72Å; V992-F1001 HydrophobicContact CG1-CE2 3.79Å; T996-F1001 HydrophobicContact CG2-CE2 3.73Å; T996-F1001 HydrophobicContact CG2-CZ 3.91Å; K999-F1001 HydrophobicContact CB-CE2 3.72Å; K999-F1001 HydrophobicContact CB-CZ 3.75Å; K999-F1001 HydrophobicContact CD-CZ 4.18Å; F1001-K1003 VanDerWaalsContact C-N 3.33Å; F1001-K1003 PolarHBondContact O-N 3.47Å; F1001-Y1004 HydrophobicContact CB-CE1 4.26Å; F1001-Y1004 HydrophobicContact CD2-CE1 4.26Å; F1001-Y1004 PolarHBondContact N-OH 2.83Å; F1001-Y1004 VanDerWaalsContact O-CE2 3.3Å; F1001-Y1004 WeakPolarHBondContact O-CE2 3.4Å; F1001-P1012 HydrophobicContact CB-CB 3.98Å; F1001-P1012 HydrophobicContact CD1-CB 3.72Å; F1001-P1012 HydrophobicContact CD1-CG 4.15Å; F1001-P1012 HydrophobicContact CD2-CB 4Å; F1001-P1012 HydrophobicContact CE1-CB 4.17Å; F1001-P1012 HydrophobicContact CE1-CG 4.08Å; F1001-P1012 HydrophobicContact CE2-CB 4.44Å; F1001-P1012 HydrophobicContact CE2-CG 4.49Å; F1001-P1012 HydrophobicContact CG-CB 3.62Å; F1001-P1012 HydrophobicContact CG-CG 4.37Å; F1001-P1012 HydrophobicContact CZ-CG 4.26Å; F1001-V1020 HydrophobicContact CB-CG2 4.38Å; F1001-V1020 HydrophobicContact CD1-CG1 4.39Å; F1001-V1020 HydrophobicContact CD1-CG2 4.26Å; F1001-Q1021 WeakPolarHBondContact CA-O 3.11Å; F1001-F1024 VanDerWaalsContact C-CB 3.48Å; F1001-S1027 VanDerWaalsContact O-CB 3.3Å; F1001-S1027 WeakPolarHBondContact O-CB 3.43Å; F1001-S1027 PolarHBondContact O-OG 3.08Å
1002E94.7Very high91.7Very high1 Ų138.2 Ų38.21%0.00521%0.207CC..SBendtrans-64.5-36.7178.781-170159.100112.7W955 V1020 Q1021 F1024 W1026W955-E1002 HydrophobicContact CH2-CG 4.19Å; W955-E1002 HydrophobicContact CZ3-CB 4.35Å; W955-E1002 HydrophobicContact CZ3-CG 4.03Å; E1002-V1020 HydrophobicContact CG-CG2 4.01Å; E1002-V1020 WeakPolarHBondContact OE1-CA 3.1Å; E1002-Q1021 HydrophobicContact CB-CB 4.45Å; E1002-Q1021 PolarHBondContact N-O 2.89Å; E1002-Q1021 VanDerWaalsContact N-O 3.09Å; E1002-Q1021 PolarHBondContact OE1-N 3.17Å; E1002-Q1021 WeakPolarHBondContact OE2-CG 3.48Å; E1002-F1024 VanDerWaalsContact CA-CG 3.47Å; E1002-F1024 HydrophobicContact CB-CB 4.2Å; E1002-F1024 HydrophobicContact CB-CD1 4.04Å; E1002-F1024 HydrophobicContact CB-CD2 3.27Å; E1002-F1024 HydrophobicContact CB-CE1 4.19Å; E1002-F1024 HydrophobicContact CB-CE2 3.39Å; E1002-F1024 HydrophobicContact CB-CG 3.58Å; E1002-F1024 HydrophobicContact CB-CZ 3.87Å; E1002-W1026 HydrophobicContact CB-CZ2 4.16Å; E1002-W1026 PolarHBondContact O-NE1 2.92Å
1003K94.8Very high91.7Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-147151.9-17365.8-154-178.6-145.20110.6Q948 S954 W955 F1001 G1013 G1014 V1020Q948-K1003 HydrophobicContact CB-CD 4.28Å; S954-K1003 WeakPolarHBondContact O-CA 3.46Å; W955-K1003 HydrophobicContact CD2-CB 3.82Å; W955-K1003 HydrophobicContact CE3-CB 4.09Å; W955-K1003 HydrophobicContact CG-CB 4.37Å; W955-K1003 HydrophobicContact CH2-CB 4.24Å; W955-K1003 HydrophobicContact CH2-CD 3.46Å; W955-K1003 VanDerWaalsContact CH2-CD 3.46Å; W955-K1003 HydrophobicContact CH2-CG 4.42Å; W955-K1003 HydrophobicContact CZ2-CB 3.95Å; W955-K1003 HydrophobicContact CZ2-CD 3.19Å; W955-K1003 HydrophobicContact CZ2-CG 4.18Å; W955-K1003 HydrophobicContact CZ3-CB 4.3Å; W955-K1003 HydrophobicContact CZ3-CD 4.26Å; F1001-K1003 VanDerWaalsContact C-N 3.33Å; F1001-K1003 PolarHBondContact O-N 3.47Å; K1003-G1013 PolarHBondContact O-N 3.33Å; K1003-G1014 WeakPolarHBondContact CE-O 3.36Å; K1003-V1020 HydrophobicContact CG-CG2 4Å
1004Y96.1Very high91.6Very high0 Ų039.5 Ų39.50%022%0.223CC..EExtended strand (participates in β ladder)trans-130.7142.7-173-64.7-91.7000112.5N953 S954 L988 N989 V992 F1001 V1006N953-Y1004 WeakPolarHBondContact CA-O 3.35Å; S954-Y1004 PolarHBondContact N-O 3.04Å; S954-Y1004 PolarHBondContact O-N 2.68Å; S954-Y1004 PolarHBondContact OG-O 2.78Å; L988-Y1004 HydrophobicContact CD2-CG 4.38Å; L988-Y1004 HydrophobicContact CG-CD1 4.42Å; L988-Y1004 HydrophobicContact CG-CG 4.4Å; N989-Y1004 WeakPolarHBondContact OD1-CE2 3.34Å; N989-Y1004 PolarHBondContact OD1-OH 3.17Å; N989-Y1004 VanDerWaalsContact OD1-OH 3.05Å; V992-Y1004 HydrophobicContact CB-CD1 4.03Å; V992-Y1004 HydrophobicContact CB-CE1 3.85Å; V992-Y1004 HydrophobicContact CG1-CD1 4Å; V992-Y1004 HydrophobicContact CG1-CE1 3.69Å; V992-Y1004 HydrophobicContact CG2-CD1 3.94Å; V992-Y1004 HydrophobicContact CG2-CE1 4.29Å; F1001-Y1004 HydrophobicContact CB-CE1 4.26Å; F1001-Y1004 HydrophobicContact CD2-CE1 4.26Å; F1001-Y1004 PolarHBondContact N-OH 2.83Å; F1001-Y1004 VanDerWaalsContact O-CE2 3.3Å; F1001-Y1004 WeakPolarHBondContact O-CE2 3.4Å; Y1004-V1006 PolarHBondContact O-N 2.93Å
1005N95Very high91.4Very high27 Ų2737.2 Ų37.214%0.14422%0.22CC..EExtended strand (participates in β ladder)trans-79.3111.9175.1-175.7-44.1000110.1P952 L988 E1007 N1008 T1011P952-N1005 WeakPolarHBondContact CG-ND2 3.41Å; P952-N1005 WeakPolarHBondContact O-CA 3.49Å; L988-N1005 WeakPolarHBondContact CD1-O 3.45Å; N1005-E1007 VanDerWaalsContact C-N 3.31Å; N1005-E1007 PolarHBondContact O-N 3.06Å; N1005-E1007 WeakPolarHBondContact OD1-CB 3.35Å; N1005-E1007 PolarHBondContact OD1-N 3.3Å; N1005-N1008 PolarHBondContact ND2-ND2 3.36Å; N1005-N1008 PolarHBondContact OD1-N 2.75Å; N1005-T1011 WeakPolarHBondContact CB-OG1 3.06Å; N1005-T1011 PolarHBondContact N-O 2.97Å
1006V94.4Very high91.1Very high0 Ų030.8 Ų30.80%021%0.205CC..THydrogen-bonded Turntrans-80.2-6.8-175.1-69.80000114.9V934 Y936 P939 P952 S954 L988 Y1004V934-V1006 HydrophobicContact CG1-CB 3.76Å; V934-V1006 HydrophobicContact CG1-CG2 3.45Å; V934-V1006 VanDerWaalsContact CG1-CG2 3.45Å; Y936-V1006 WeakPolarHBondContact CB-O 3.4Å; Y936-V1006 PolarHBondContact N-O 3.25Å; Y936-V1006 VanDerWaalsContact N-O 3.17Å; P939-V1006 HydrophobicContact CB-CG2 3.92Å; P939-V1006 HydrophobicContact CG-CG2 4.46Å; P952-V1006 VanDerWaalsContact O-CG2 3.24Å; P952-V1006 WeakPolarHBondContact O-CG2 3.14Å; P952-V1006 PolarHBondContact O-N 3.46Å; S954-V1006 WeakPolarHBondContact OG-CG1 3.2Å; L988-V1006 HydrophobicContact CD2-CG1 3.85Å; Y1004-V1006 PolarHBondContact O-N 2.93Å
1007E90.7Very high90.6Very high82 Ų8231.1 Ų31.138%0.38320%0.204SC..THydrogen-bonded Turntrans-86.8-52.4-179.5-73.1-71.7-175.500111.8W944 H951 P952 N1005W944-E1007 HydrophobicContact CH2-CG 4.33Å; H951-E1007 IonicContact CE1-OE1 2.78Å; H951-E1007 PolarHBondContact CE1-OE1 2.83Å; H951-E1007 IonicContact NE2-OE1 3.04Å; H951-E1007 PolarHBondContact NE2-OE1 3.34Å; P952-E1007 HydrophobicContact CB-CG 3.97Å; N1005-E1007 VanDerWaalsContact C-N 3.31Å; N1005-E1007 PolarHBondContact O-N 3.06Å; N1005-E1007 WeakPolarHBondContact OD1-CB 3.35Å; N1005-E1007 PolarHBondContact OD1-N 3.3Å
1008N85.3Confident90.2Very high60 Ų6029.2 Ų29.232%0.32118%0.175SC..THydrogen-bonded Turntrans-88-23.8-170.471.531.8000113.5N1005 F1010 T1011N1005-N1008 PolarHBondContact ND2-ND2 3.36Å; N1005-N1008 PolarHBondContact OD1-N 2.75Å; N1008-F1010 VanDerWaalsContact C-N 3.32Å; N1008-F1010 WeakPolarHBondContact O-CD2 3.29Å; N1008-F1010 VanDerWaalsContact O-CE2 3.32Å; N1008-F1010 WeakPolarHBondContact O-CE2 3.3Å; N1008-F1010 PolarHBondContact O-N 2.65Å; N1008-F1010 PolarHBondContact OD1-N 2.94Å; N1008-T1011 PolarHBondContact ND2-OG1 2.92Å; N1008-T1011 PolarHBondContact OD1-N 3.25Å; N1008-T1011 PolarHBondContact OD1-OG1 3.31Å
1009G75.5Confident90Very high0 Ų033.3 Ų33.30%019%0.192CC..SBendtrans80.83.2175.500000116.2L988 R991L988-G1009 VanDerWaalsContact CD1-CA 3.5Å; R991-G1009 VanDerWaalsContact CB-O 3.32Å; R991-G1009 WeakPolarHBondContact CB-O 3.02Å
1010F83.7Confident89.9Confident71 Ų7131.7 Ų31.731%0.31119%0.189SC..SBendtrans-143.7-5.3-167.8-57.1-73.2000115.3R991 R995 N1008R991-F1010 HydrophobicContact CB-CD1 4.18Å; R991-F1010 HydrophobicContact CB-CE1 4.42Å; R991-F1010 HydrophobicContact CG-CE1 4.39Å; R991-F1010 VanDerWaalsContact NH1-CE1 3.27Å; R995-F1010 WeakPolarHBondContact CD-O 3.36Å; N1008-F1010 VanDerWaalsContact C-N 3.32Å; N1008-F1010 WeakPolarHBondContact O-CD2 3.29Å; N1008-F1010 VanDerWaalsContact O-CE2 3.32Å; N1008-F1010 WeakPolarHBondContact O-CE2 3.3Å; N1008-F1010 PolarHBondContact O-N 2.65Å; N1008-F1010 PolarHBondContact OD1-N 2.94Å
1011T91.7Very high89.8Confident46 Ų4633 Ų3328%0.28220%0.195SC..SBendtrans-116.4152175.369.50000111.4N1005 N1008N1005-T1011 WeakPolarHBondContact CB-OG1 3.06Å; N1005-T1011 PolarHBondContact N-O 2.97Å; N1008-T1011 PolarHBondContact ND2-OG1 2.92Å; N1008-T1011 PolarHBondContact OD1-N 3.25Å; N1008-T1011 PolarHBondContact OD1-OG1 3.31Å
1012P93.5Very high89.6Confident31 Ų3135.9 Ų35.920%0.20121%0.209CC..BIsolated β-bridgetrans-56.2160.6158.627.6-34.7000110.7F1001 V1020F1001-P1012 HydrophobicContact CB-CB 3.98Å; F1001-P1012 HydrophobicContact CD1-CB 3.72Å; F1001-P1012 HydrophobicContact CD1-CG 4.15Å; F1001-P1012 HydrophobicContact CD2-CB 4Å; F1001-P1012 HydrophobicContact CE1-CB 4.17Å; F1001-P1012 HydrophobicContact CE1-CG 4.08Å; F1001-P1012 HydrophobicContact CE2-CB 4.44Å; F1001-P1012 HydrophobicContact CE2-CG 4.49Å; F1001-P1012 HydrophobicContact CG-CB 3.62Å; F1001-P1012 HydrophobicContact CG-CG 4.37Å; F1001-P1012 HydrophobicContact CZ-CG 4.26Å; P1012-V1020 HydrophobicContact CB-CB 4.48Å; P1012-V1020 HydrophobicContact CB-CG1 3.93Å; P1012-V1020 HydrophobicContact CB-CG2 3.92Å; P1012-V1020 HydrophobicContact CG-CG1 3.93Å
1013G92.7Very high89.5Confident6 Ų636.3 Ų36.36%0.06221%0.213CC..  trans-73.1175.6170.800000111.6N953 K1003 V1020N953-G1013 WeakPolarHBondContact OD1-CA 3.07Å; K1003-G1013 PolarHBondContact O-N 3.33Å; G1013-V1020 WeakPolarHBondContact O-CB 3.37Å; G1013-V1020 WeakPolarHBondContact O-CG2 3.33Å
1014G91.4Very high89.5Confident33 Ų3336.4 Ų36.434%0.3421%0.213SC..  trans-145.3-158.7-176.200000112.8N953 K1003N953-G1014 PolarHBondContact ND2-O 3.43Å; N953-G1014 PolarHBondContact OD1-N 2.84Å; K1003-G1014 WeakPolarHBondContact CE-O 3.36Å
1015G87.6Confident89.6Confident36 Ų3636.4 Ų36.437%0.37121%0.213SC..  trans78.3171.4178.800000114.3D946 Q948D946-G1015 CarbonylContact O-C 3.55Å; D946-G1015 WeakPolarHBondContact O-CA 3.28Å; Q948-G1015 WeakPolarHBondContact CB-O 3.46Å
1016G84.8Confident89.7Confident30 Ų3035.5 Ų35.531%0.30921%0.208SC..SBendtrans81.1-160.5-176.100000113.9D946D946-G1016 PolarHBondContact O-N 2.98Å
1017E80.4Confident89.8Confident44 Ų4435.5 Ų35.521%0.20621%0.208CC..SBendtrans-85.1-13.3-170.475.7-169-178.500115.3R798 S801 R803 W804 D805R798-E1017 IonicContact NH2-OE2 3.25Å; R798-E1017 PolarHBondContact NH2-OE2 3.29Å; S801-E1017 WeakPolarHBondContact CB-OE1 3.31Å; S801-E1017 VanDerWaalsContact CB-OE2 3.24Å; S801-E1017 WeakPolarHBondContact CB-OE2 3.35Å; S801-E1017 VanDerWaalsContact OG-CD 3.24Å; S801-E1017 PolarHBondContact OG-OE1 2.82Å; S801-E1017 PolarHBondContact OG-OE2 3.16Å; R803-E1017 VanDerWaalsContact C-OE2 3.25Å; W804-E1017 PolarHBondContact N-OE2 3.22Å; W804-E1017 WeakPolarHBondContact O-CB 3.22Å; D805-E1017 HydrophobicContact CB-CB 4.24Å; D805-E1017 VanDerWaalsContact CB-CD 3.46Å; D805-E1017 HydrophobicContact CB-CG 3.82Å; D805-E1017 PolarHBondContact N-OE2 3.47Å
1018Y82.7Confident90.2Very high33 Ų3331.6 Ų31.613%0.12919%0.19CC..SBendtrans-138.6157.3-175.653.2-108.9000112.4F680 Q948 Q1021F680-Y1018 HydrophobicContact CZ-CE1 4.29Å; F680-Y1018 HydrophobicContact CZ-CE2 4.12Å; F680-Y1018 AromaticContact CZ-CZ 3.75Å; Q948-Y1018 PolarHBondContact NE2-OH 3.41Å; Q948-Y1018 PolarHBondContact OE1-OH 3.01Å; Y1018-Q1021 HydrophobicContact CD2-CG 4.34Å; Y1018-Q1021 HydrophobicContact CE2-CG 4.3Å
1019D87.8Confident90.8Very high104 Ų10428.8 Ų28.856%0.55618%0.175SC*.PPolyproline II helixtrans-63.5150.3174.9-60.7-42.5000110.7K564 Q1021K564-D1019 IonicContact NZ-OD1 3.86Å; K564-D1019 IonicContact NZ-OD2 3.94Å; K564-D1019 PolarHBondContact NZ-OD2 3.46Å; D1019-Q1021 PolarHBondContact O-N 2.96Å; D1019-Q1021 PolarHBondContact O-NE2 3.41Å
1020V91.9Very high91.9Very high45 Ų4528.8 Ų28.827%0.27318%0.175SC..PPolyproline II helixtrans-59136.4-178.666.10000113F1001 E1002 K1003 P1012 G1013F1001-V1020 HydrophobicContact CB-CG2 4.38Å; F1001-V1020 HydrophobicContact CD1-CG1 4.39Å; F1001-V1020 HydrophobicContact CD1-CG2 4.26Å; E1002-V1020 HydrophobicContact CG-CG2 4.01Å; E1002-V1020 WeakPolarHBondContact OE1-CA 3.1Å; K1003-V1020 HydrophobicContact CG-CG2 4Å; P1012-V1020 HydrophobicContact CB-CB 4.48Å; P1012-V1020 HydrophobicContact CB-CG1 3.93Å; P1012-V1020 HydrophobicContact CB-CG2 3.92Å; P1012-V1020 HydrophobicContact CG-CG1 3.93Å; G1013-V1020 WeakPolarHBondContact O-CB 3.37Å; G1013-V1020 WeakPolarHBondContact O-CG2 3.33Å
1021Q94Very high92.5Very high26 Ų2625.4 Ų25.412%0.12116%0.16CC..PPolyproline II helixtrans-93.9143.2-174.3-57.5-61.6-51.900113.6R679 F680 F1001 E1002 Y1018 D1019 F1024R679-Q1021 HydrophobicContact CG-CG 4.15Å; F680-Q1021 HydrophobicContact CD2-CB 4.44Å; F680-Q1021 HydrophobicContact CD2-CG 4.15Å; F680-Q1021 HydrophobicContact CE2-CB 4.18Å; F680-Q1021 HydrophobicContact CE2-CG 3.63Å; F680-Q1021 HydrophobicContact CZ-CG 4.44Å; F1001-Q1021 WeakPolarHBondContact CA-O 3.11Å; E1002-Q1021 HydrophobicContact CB-CB 4.45Å; E1002-Q1021 PolarHBondContact N-O 2.89Å; E1002-Q1021 VanDerWaalsContact N-O 3.09Å; E1002-Q1021 PolarHBondContact OE1-N 3.17Å; E1002-Q1021 WeakPolarHBondContact OE2-CG 3.48Å; Y1018-Q1021 HydrophobicContact CD2-CG 4.34Å; Y1018-Q1021 HydrophobicContact CE2-CG 4.3Å; D1019-Q1021 PolarHBondContact O-N 2.96Å; D1019-Q1021 PolarHBondContact O-NE2 3.41Å; Q1021-F1024 HydrophobicContact CB-CD2 4.13Å; Q1021-F1024 HydrophobicContact CB-CE2 4.13Å
1022E93.5Very high92.8Very high79 Ų7923.2 Ų23.237%0.36915%0.147SC..BIsolated β-bridgetrans-96.6140.4175.5-178-178.7162.800111G677 G678 K999 M1000G677-E1022 CarbonylContact C-O 3.54Å; G677-E1022 WeakPolarHBondContact CA-O 3.39Å; G678-E1022 PolarHBondContact N-O 3.21Å; K999-E1022 HydrophobicContact CB-CG 4.23Å; K999-E1022 HydrophobicContact CD-CG 4.48Å; K999-E1022 VanDerWaalsContact CD-OE2 3.27Å; K999-E1022 WeakPolarHBondContact CD-OE2 3.24Å; K999-E1022 VanDerWaalsContact CE-OE2 3.26Å; K999-E1022 WeakPolarHBondContact CE-OE2 3.5Å; K999-E1022 HydrophobicContact CG-CG 4.44Å; K999-E1022 WeakPolarHBondContact CG-OE1 3.39Å; K999-E1022 IonicContact NZ-OE1 3.33Å; K999-E1022 IonicContact NZ-OE2 2.97Å; K999-E1022 PolarHBondContact NZ-OE2 3.32Å; M1000-E1022 WeakPolarHBondContact O-CA 3.47Å
1023G91.5Very high93Very high9 Ų922.5 Ų22.59%0.09314%0.141CC..  trans162.7-63.9175.300000110.7K645 M1000 N1028K645-G1023 WeakPolarHBondContact CD-O 3.41Å; M1000-G1023 PolarHBondContact O-N 3.47Å; G1023-N1028 PolarHBondContact O-ND2 2.9Å; G1023-N1028 PolarHBondContact O-OD1 3.44Å
1024F95.9Very high93.3Very high2 Ų222.2 Ų22.21%0.00914%0.138CC..  cis-107.3131.7-49.1-166.2-81.5000107.4P676 F680 D687 F1001 E1002 Q1021 W1026 S1027 N1028P676-F1024 HydrophobicContact CB-CD1 4.14Å; P676-F1024 HydrophobicContact CB-CD2 4.28Å; P676-F1024 HydrophobicContact CB-CE1 3.55Å; P676-F1024 HydrophobicContact CB-CE2 3.77Å; P676-F1024 HydrophobicContact CB-CG 4.49Å; P676-F1024 HydrophobicContact CB-CZ 3.37Å; P676-F1024 HydrophobicContact CG-CZ 4.44Å; P676-F1024 CarbonylContact O-C 3.59Å; P676-F1024 WeakPolarHBondContact O-CA 3.48Å; F680-F1024 AromaticContact CD2-CE2 3.49Å; F680-F1024 HydrophobicContact CD2-CE2 3.49Å; F680-F1024 VanDerWaalsContact CD2-CE2 3.49Å; F680-F1024 AromaticContact CD2-CZ 3.94Å; F680-F1024 HydrophobicContact CD2-CZ 3.94Å; F680-F1024 AromaticContact CE2-CE2 3.64Å; F680-F1024 HydrophobicContact CE2-CE2 3.64Å; F680-F1024 HydrophobicContact CE2-CZ 4.03Å; D687-F1024 VanDerWaalsContact OD1-CE1 3.29Å; D687-F1024 WeakPolarHBondContact OD1-CE1 3.49Å; F1001-F1024 VanDerWaalsContact C-CB 3.48Å; E1002-F1024 VanDerWaalsContact CA-CG 3.47Å; E1002-F1024 HydrophobicContact CB-CB 4.2Å; E1002-F1024 HydrophobicContact CB-CD1 4.04Å; E1002-F1024 HydrophobicContact CB-CD2 3.27Å; E1002-F1024 HydrophobicContact CB-CE1 4.19Å; E1002-F1024 HydrophobicContact CB-CE2 3.39Å; E1002-F1024 HydrophobicContact CB-CG 3.58Å; E1002-F1024 HydrophobicContact CB-CZ 3.87Å; Q1021-F1024 HydrophobicContact CB-CD2 4.13Å; Q1021-F1024 HydrophobicContact CB-CE2 4.13Å; F1024-W1026 AromaticContact CD1-CD1 3.46Å; F1024-W1026 VanDerWaalsContact CD1-CD1 3.46Å; F1024-W1026 AromaticContact CD1-CD2 3.88Å; F1024-W1026 HydrophobicContact CD1-CD2 3.88Å; F1024-W1026 AromaticContact CD1-CE2 3.41Å; F1024-W1026 VanDerWaalsContact CD1-CE2 3.41Å; F1024-W1026 AromaticContact CD1-CG 3.74Å; F1024-W1026 HydrophobicContact CD1-CG 3.74Å; F1024-W1026 AromaticContact CD1-CZ2 3.95Å; F1024-W1026 HydrophobicContact CD1-CZ2 3.95Å; F1024-W1026 AromaticContact CD1-NE1 3.15Å; F1024-W1026 AromaticContact CE1-CD1 3.9Å; F1024-W1026 AromaticContact CE1-CD2 3.49Å; F1024-W1026 HydrophobicContact CE1-CD2 3.49Å; F1024-W1026 VanDerWaalsContact CE1-CD2 3.49Å; F1024-W1026 AromaticContact CE1-CE2 3.06Å; F1024-W1026 HydrophobicContact CE1-CE3 4.17Å; F1024-W1026 AromaticContact CE1-CG 3.83Å; F1024-W1026 HydrophobicContact CE1-CG 3.83Å; F1024-W1026 AromaticContact CE1-CH2 4Å; F1024-W1026 HydrophobicContact CE1-CH2 4Å; F1024-W1026 AromaticContact CE1-CZ2 3.25Å; F1024-W1026 HydrophobicContact CE1-CZ2 3.25Å; F1024-W1026 HydrophobicContact CE1-CZ3 4.43Å; F1024-W1026 AromaticContact CE1-NE1 3.38Å; F1024-W1026 AromaticContact CZ-CE2 3.94Å; F1024-W1026 HydrophobicContact CZ-CH2 4.23Å; F1024-W1026 AromaticContact CZ-CZ2 3.64Å; F1024-W1026 HydrophobicContact CZ-CZ2 3.64Å; F1024-W1026 PolarHBondContact O-N 2.92Å; F1024-S1027 WeakPolarHBondContact O-CB 3.39Å; F1024-S1027 PolarHBondContact O-N 3.41Å; F1024-N1028 PolarHBondContact N-OD1 2.84Å; F1024-N1028 VanDerWaalsContact O-CG 3.27Å; F1024-N1028 PolarHBondContact O-N 3.49Å; F1024-N1028 PolarHBondContact O-OD1 3.08Å
1025G96.7Very high93.5Very high0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-48.7-52.3-166.200000114.8P676 I691 S1027 G1029P676-G1025 PolarHBondContact O-N 3.4Å; I691-G1025 VanDerWaalsContact CG1-C 3.49Å; G1025-S1027 VanDerWaalsContact C-N 3.28Å; G1025-S1027 PolarHBondContact O-N 2.94Å; G1025-G1029 PolarHBondContact O-N 2.66Å
1026W97.3Very high93.9Very high9 Ų921.5 Ų21.53%0.03412%0.118CC..Hα-helixtrans-66.6-28.1178.359.641.5000113.6W686 D687 W690 W949 W955 A956 P957 E1002 F1024 G1029 A1030W686-W1026 AromaticContact CE2-CZ3 3.8Å; W686-W1026 HydrophobicContact CZ2-CH2 4.46Å; W686-W1026 AromaticContact CZ2-CZ3 3.79Å; W686-W1026 HydrophobicContact CZ2-CZ3 3.79Å; W686-W1026 AromaticContact NE1-CZ3 3.66Å; D687-W1026 HydrophobicContact CB-CE3 4.48Å; D687-W1026 VanDerWaalsContact OD1-CE3 3.31Å; D687-W1026 WeakPolarHBondContact OD1-CZ3 3.48Å; W690-W1026 HydrophobicContact CB-CB 3.61Å; W690-W1026 HydrophobicContact CD2-CB 4.43Å; W690-W1026 HydrophobicContact CE3-CB 4.37Å; W690-W1026 HydrophobicContact CG-CB 4.12Å; W949-W1026 HydrophobicContact CZ2-CH2 4.41Å; W955-W1026 HydrophobicContact CD2-CZ2 4.48Å; W955-W1026 AromaticContact CE3-CE2 3.94Å; W955-W1026 AromaticContact CE3-CH2 3.39Å; W955-W1026 HydrophobicContact CE3-CH2 3.39Å; W955-W1026 AromaticContact CE3-CZ2 3.12Å; W955-W1026 HydrophobicContact CE3-CZ2 3.12Å; W955-W1026 HydrophobicContact CE3-CZ3 4.44Å; W955-W1026 HydrophobicContact CH2-CZ2 4.49Å; W955-W1026 AromaticContact CZ3-CH2 3.34Å; W955-W1026 HydrophobicContact CZ3-CH2 3.34Å; W955-W1026 AromaticContact CZ3-CZ2 3.14Å; W955-W1026 HydrophobicContact CZ3-CZ2 3.14Å; A956-W1026 HydrophobicContact CB-CG 4.31Å; P957-W1026 HydrophobicContact CG-CB 4.39Å; P957-W1026 HydrophobicContact CG-CD2 3.77Å; P957-W1026 HydrophobicContact CG-CE3 3.42Å; P957-W1026 VanDerWaalsContact CG-CE3 3.42Å; P957-W1026 HydrophobicContact CG-CG 4.16Å; P957-W1026 HydrophobicContact CG-CZ3 4.03Å; E1002-W1026 HydrophobicContact CB-CZ2 4.16Å; E1002-W1026 PolarHBondContact O-NE1 2.92Å; F1024-W1026 AromaticContact CD1-CD1 3.46Å; F1024-W1026 VanDerWaalsContact CD1-CD1 3.46Å; F1024-W1026 AromaticContact CD1-CD2 3.88Å; F1024-W1026 HydrophobicContact CD1-CD2 3.88Å; F1024-W1026 AromaticContact CD1-CE2 3.41Å; F1024-W1026 VanDerWaalsContact CD1-CE2 3.41Å; F1024-W1026 AromaticContact CD1-CG 3.74Å; F1024-W1026 HydrophobicContact CD1-CG 3.74Å; F1024-W1026 AromaticContact CD1-CZ2 3.95Å; F1024-W1026 HydrophobicContact CD1-CZ2 3.95Å; F1024-W1026 AromaticContact CD1-NE1 3.15Å; F1024-W1026 AromaticContact CE1-CD1 3.9Å; F1024-W1026 AromaticContact CE1-CD2 3.49Å; F1024-W1026 HydrophobicContact CE1-CD2 3.49Å; F1024-W1026 VanDerWaalsContact CE1-CD2 3.49Å; F1024-W1026 AromaticContact CE1-CE2 3.06Å; F1024-W1026 HydrophobicContact CE1-CE3 4.17Å; F1024-W1026 AromaticContact CE1-CG 3.83Å; F1024-W1026 HydrophobicContact CE1-CG 3.83Å; F1024-W1026 AromaticContact CE1-CH2 4Å; F1024-W1026 HydrophobicContact CE1-CH2 4Å; F1024-W1026 AromaticContact CE1-CZ2 3.25Å; F1024-W1026 HydrophobicContact CE1-CZ2 3.25Å; F1024-W1026 HydrophobicContact CE1-CZ3 4.43Å; F1024-W1026 AromaticContact CE1-NE1 3.38Å; F1024-W1026 AromaticContact CZ-CE2 3.94Å; F1024-W1026 HydrophobicContact CZ-CH2 4.23Å; F1024-W1026 AromaticContact CZ-CZ2 3.64Å; F1024-W1026 HydrophobicContact CZ-CZ2 3.64Å; F1024-W1026 PolarHBondContact O-N 2.92Å; W1026-G1029 PolarHBondContact O-N 3.41Å; W1026-A1030 WeakPolarHBondContact O-CB 3.41Å; W1026-A1030 PolarHBondContact O-N 3.45Å
1027S98Very high94.4Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-78.6-42.7-173.2-70.30000107.7F1001 F1024 G1025 G1029 A1031F1001-S1027 VanDerWaalsContact O-CB 3.3Å; F1001-S1027 WeakPolarHBondContact O-CB 3.43Å; F1001-S1027 PolarHBondContact O-OG 3.08Å; F1024-S1027 WeakPolarHBondContact O-CB 3.39Å; F1024-S1027 PolarHBondContact O-N 3.41Å; G1025-S1027 VanDerWaalsContact C-N 3.28Å; G1025-S1027 PolarHBondContact O-N 2.94Å; S1027-G1029 VanDerWaalsContact C-N 3.35Å; S1027-A1031 WeakPolarHBondContact O-CB 3.43Å; S1027-A1031 PolarHBondContact O-N 3.44Å
1028N98Very high95.1Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-58.5-50.4171.3-59-7.5000109.8V642 W646 M1000 G1023 F1024 A1031 L1032V642-N1028 HydrophobicContact CG1-CB 3.67Å; W646-N1028 HydrophobicContact CH2-CB 3.75Å; W646-N1028 HydrophobicContact CZ2-CB 4.14Å; W646-N1028 HydrophobicContact CZ3-CB 4.23Å; M1000-N1028 VanDerWaalsContact CB-OD1 3.25Å; M1000-N1028 WeakPolarHBondContact CB-OD1 3.14Å; M1000-N1028 WeakPolarHBondContact CG-OD1 3.19Å; G1023-N1028 PolarHBondContact O-ND2 2.9Å; G1023-N1028 PolarHBondContact O-OD1 3.44Å; F1024-N1028 PolarHBondContact N-OD1 2.84Å; F1024-N1028 VanDerWaalsContact O-CG 3.27Å; F1024-N1028 PolarHBondContact O-N 3.49Å; F1024-N1028 PolarHBondContact O-OD1 3.08Å; N1028-A1031 PolarHBondContact O-N 2.79Å; N1028-L1032 WeakPolarHBondContact O-CB 3.41Å; N1028-L1032 VanDerWaalsContact O-CG 3.25Å; N1028-L1032 WeakPolarHBondContact O-CG 3.48Å; N1028-L1032 PolarHBondContact O-N 3.28Å
1029G98.2Very high95.7Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-67.2-46-175.500000114.3W690 G1025 W1026 S1027 L1032 D1033W690-G1029 VanDerWaalsContact O-CA 3.22Å; W690-G1029 WeakPolarHBondContact O-CA 3.44Å; G1025-G1029 PolarHBondContact O-N 2.66Å; W1026-G1029 PolarHBondContact O-N 3.41Å; S1027-G1029 VanDerWaalsContact C-N 3.35Å; G1029-L1032 PolarHBondContact O-N 3.08Å; G1029-D1033 WeakPolarHBondContact O-CB 3.31Å; G1029-D1033 PolarHBondContact O-N 2.68Å
1030A98.1Very high96Very high0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-64.1-40.8175.200000112A956 H960 W985 W1026 L1034A956-A1030 HydrophobicContact CB-CB 3.97Å; H960-A1030 HydrophobicContact CB-CB 4.2Å; W985-A1030 HydrophobicContact CH2-CB 3.99Å; W985-A1030 HydrophobicContact CZ3-CB 4.24Å; W1026-A1030 WeakPolarHBondContact O-CB 3.41Å; W1026-A1030 PolarHBondContact O-N 3.45Å; A1030-L1034 WeakPolarHBondContact O-CB 3.39Å; A1030-L1034 VanDerWaalsContact O-CG 3.26Å; A1030-L1034 WeakPolarHBondContact O-CG 3.4Å; A1030-L1034 PolarHBondContact O-N 2.53Å
1031A97.7Very high96.1Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-63.7-46.5177.200000111.6W638 W985 L986 M1000 S1027 N1028 L1034 L1035W638-A1031 HydrophobicContact CH2-CB 3.95Å; W638-A1031 HydrophobicContact CZ2-CB 4.48Å; W985-A1031 HydrophobicContact CZ3-CB 4.35Å; L986-A1031 HydrophobicContact CD2-CB 4.12Å; M1000-A1031 HydrophobicContact CE-CB 4.39Å; S1027-A1031 WeakPolarHBondContact O-CB 3.43Å; S1027-A1031 PolarHBondContact O-N 3.44Å; N1028-A1031 PolarHBondContact O-N 2.79Å; A1031-L1034 PolarHBondContact O-N 3.03Å; A1031-L1035 VanDerWaalsContact O-CB 3.31Å; A1031-L1035 WeakPolarHBondContact O-CB 3.4Å; A1031-L1035 WeakPolarHBondContact O-CG 3.48Å; A1031-L1035 PolarHBondContact O-N 2.92Å
1032L98.1Very high96Very high1 Ų119.7 Ų19.71%0.0059%0.092CC..Hα-helixtrans-62.1-43.8178.2-71.1176.9000112.3F627 A639 V642 W646 N1028 G1029 L1035 L1036F627-L1032 HydrophobicContact CE1-CD2 4.29Å; F627-L1032 HydrophobicContact CE2-CD2 4.14Å; F627-L1032 HydrophobicContact CZ-CD1 4.43Å; F627-L1032 HydrophobicContact CZ-CD2 3.66Å; A639-L1032 HydrophobicContact CB-CD2 4.11Å; V642-L1032 HydrophobicContact CB-CD2 4.2Å; V642-L1032 HydrophobicContact CG1-CD1 4.13Å; V642-L1032 HydrophobicContact CG1-CD2 4.08Å; V642-L1032 HydrophobicContact CG1-CG 3.87Å; W646-L1032 HydrophobicContact CZ2-CD1 3.94Å; N1028-L1032 WeakPolarHBondContact O-CB 3.41Å; N1028-L1032 VanDerWaalsContact O-CG 3.25Å; N1028-L1032 WeakPolarHBondContact O-CG 3.48Å; N1028-L1032 PolarHBondContact O-N 3.28Å; G1029-L1032 PolarHBondContact O-N 3.08Å; L1032-L1035 PolarHBondContact O-N 3.39Å; L1032-L1036 WeakPolarHBondContact O-CB 3.48Å; L1032-L1036 PolarHBondContact O-N 3.42Å
1033D97.7Very high95.8Very high15 Ų1518.6 Ų18.68%0.0810%0.097CC..Hα-helixtrans-63.7-42.2177.3177.172.4000112.2K693 H960 G1029 L1036 K1037K693-D1033 HydrophobicContact CB-CB 4.37Å; H960-D1033 IonicContact CD2-OD2 3.31Å; H960-D1033 IonicContact CE1-OD2 2.94Å; H960-D1033 IonicContact NE2-OD2 2.78Å; H960-D1033 PolarHBondContact NE2-OD2 3.32Å; G1029-D1033 WeakPolarHBondContact O-CB 3.31Å; G1029-D1033 PolarHBondContact O-N 2.68Å; D1033-L1036 PolarHBondContact O-N 2.94Å; D1033-K1037 VanDerWaalsContact CG-NZ 3.34Å; D1033-K1037 WeakPolarHBondContact O-CG 3.47Å; D1033-K1037 PolarHBondContact O-N 3.47Å; D1033-K1037 WeakPolarHBondContact OD1-CE 3.46Å; D1033-K1037 IonicContact OD1-NZ 3.34Å; D1033-K1037 PolarHBondContact OD1-NZ 2.65Å; D1033-K1037 WeakPolarHBondContact OD2-CE 3.28Å; D1033-K1037 IonicContact OD2-NZ 3.61Å; D1033-K1037 PolarHBondContact OD2-NZ 3.47Å
1034L97.4Very high95.2Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-71.5-36.6177.2-69.4176000113I963 W985 L986 A1030 A1031 L1036 K1037 Y1038I963-L1034 HydrophobicContact CB-CD2 4.3Å; I963-L1034 HydrophobicContact CD1-CD1 3.7Å; I963-L1034 HydrophobicContact CD1-CD2 4.15Å; I963-L1034 HydrophobicContact CG2-CD2 3.66Å; W985-L1034 HydrophobicContact CE3-CD1 3.87Å; W985-L1034 HydrophobicContact CZ3-CD1 3.96Å; L986-L1034 HydrophobicContact CD1-CB 4.01Å; L986-L1034 HydrophobicContact CD2-CB 4.12Å; L986-L1034 HydrophobicContact CG-CB 4.35Å; A1030-L1034 WeakPolarHBondContact O-CB 3.39Å; A1030-L1034 VanDerWaalsContact O-CG 3.26Å; A1030-L1034 WeakPolarHBondContact O-CG 3.4Å; A1030-L1034 PolarHBondContact O-N 2.53Å; A1031-L1034 PolarHBondContact O-N 3.03Å; L1034-L1036 VanDerWaalsContact C-N 3.3Å; L1034-L1036 PolarHBondContact O-N 3.45Å; L1034-K1037 PolarHBondContact O-N 2.77Å; L1034-Y1038 HydrophobicContact CD2-CD2 4.45Å; L1034-Y1038 HydrophobicContact CD2-CE2 4.2Å; L1034-Y1038 PolarHBondContact O-N 3.21Å
1035L97.2Very high94Very high0 Ų021.9 Ų21.90%012%0.116CC..Hα-helixtrans-61.7-39.6172.8-77.5167.3000111.2I630 Y635 W638 A639 L986 A1031 L1032 K1037 G1039 L1042I630-L1035 HydrophobicContact CD1-CB 3.93Å; I630-L1035 HydrophobicContact CG1-CB 4.48Å; Y635-L1035 HydrophobicContact CD1-CD2 3.95Å; Y635-L1035 HydrophobicContact CG-CD2 4.25Å; W638-L1035 HydrophobicContact CE3-CD1 3.61Å; W638-L1035 HydrophobicContact CE3-CD2 4.14Å; W638-L1035 HydrophobicContact CE3-CG 4.36Å; W638-L1035 HydrophobicContact CZ3-CD1 3.68Å; W638-L1035 HydrophobicContact CZ3-CD2 4.07Å; W638-L1035 HydrophobicContact CZ3-CG 4.12Å; A639-L1035 HydrophobicContact CB-CD1 4Å; L986-L1035 HydrophobicContact CD1-CD2 4.38Å; L986-L1035 HydrophobicContact CD2-CG 4.24Å; A1031-L1035 VanDerWaalsContact O-CB 3.31Å; A1031-L1035 WeakPolarHBondContact O-CB 3.4Å; A1031-L1035 WeakPolarHBondContact O-CG 3.48Å; A1031-L1035 PolarHBondContact O-N 2.92Å; L1032-L1035 PolarHBondContact O-N 3.39Å; L1035-K1037 VanDerWaalsContact C-N 3.27Å; L1035-K1037 PolarHBondContact O-N 3.36Å; L1035-G1039 WeakPolarHBondContact O-CA 3.3Å; L1035-G1039 PolarHBondContact O-N 2.83Å; L1035-L1042 HydrophobicContact CD2-CD1 3.89Å
1036L95.3Very high92.4Very high54 Ų5429.4 Ų29.428%0.28315%0.15SC..Hα-helixtrans-64.4-35.3176.6-167.171.8000111.9S626 V629 A697 L1032 D1033 L1034S626-L1036 WeakPolarHBondContact O-CD1 3.24Å; V629-L1036 HydrophobicContact CG1-CD1 3.73Å; V629-L1036 HydrophobicContact CG1-CG 4.46Å; A697-L1036 HydrophobicContact CB-CD2 4.01Å; L1032-L1036 WeakPolarHBondContact O-CB 3.48Å; L1032-L1036 PolarHBondContact O-N 3.42Å; D1033-L1036 PolarHBondContact O-N 2.94Å; L1034-L1036 VanDerWaalsContact C-N 3.3Å; L1034-L1036 PolarHBondContact O-N 3.45Å
1037K94.3Very high90.2Very high49 Ų4932.4 Ų32.421%0.21318%0.176CC..Hα-helixtrans-79.4-33.7-177.9-73.5167.3-179.6168.50114.5E964 D1033 L1034 L1035E964-K1037 WeakPolarHBondContact OE1-CE 3.44Å; E964-K1037 IonicContact OE1-NZ 3.73Å; E964-K1037 PolarHBondContact OE1-NZ 3.34Å; E964-K1037 IonicContact OE2-NZ 3.75Å; E964-K1037 PolarHBondContact OE2-NZ 3.31Å; D1033-K1037 VanDerWaalsContact CG-NZ 3.34Å; D1033-K1037 WeakPolarHBondContact O-CG 3.47Å; D1033-K1037 PolarHBondContact O-N 3.47Å; D1033-K1037 WeakPolarHBondContact OD1-CE 3.46Å; D1033-K1037 IonicContact OD1-NZ 3.34Å; D1033-K1037 PolarHBondContact OD1-NZ 2.65Å; D1033-K1037 WeakPolarHBondContact OD2-CE 3.28Å; D1033-K1037 IonicContact OD2-NZ 3.61Å; D1033-K1037 PolarHBondContact OD2-NZ 3.47Å; L1034-K1037 PolarHBondContact O-N 2.77Å; L1035-K1037 VanDerWaalsContact C-N 3.27Å; L1035-K1037 PolarHBondContact O-N 3.36Å
1038Y96.2Very high88Confident11 Ų1134.9 Ų34.94%0.04319%0.192CC..Hα-helixtrans-122.4-1.2-172.1-64-66000114I963 R967 T978 F979 A982 L1034 D1040 R1041 L1042I963-Y1038 HydrophobicContact CG2-CE2 3.92Å; R967-Y1038 WeakPolarHBondContact CD-OH 3.3Å; T978-Y1038 WeakPolarHBondContact CG2-OH 3.17Å; F979-Y1038 HydrophobicContact CB-CD1 4.44Å; F979-Y1038 HydrophobicContact CB-CE1 4.3Å; F979-Y1038 AromaticContact CD2-CD1 3.67Å; F979-Y1038 HydrophobicContact CD2-CD1 3.67Å; F979-Y1038 HydrophobicContact CD2-CE1 4.35Å; F979-Y1038 HydrophobicContact CD2-CG 4.02Å; F979-Y1038 HydrophobicContact CE2-CD1 4.5Å; A982-Y1038 HydrophobicContact CB-CD2 3.82Å; A982-Y1038 HydrophobicContact CB-CE2 3.78Å; L1034-Y1038 HydrophobicContact CD2-CD2 4.45Å; L1034-Y1038 HydrophobicContact CD2-CE2 4.2Å; L1034-Y1038 PolarHBondContact O-N 3.21Å; Y1038-D1040 PolarHBondContact O-N 2.85Å; Y1038-D1040 VanDerWaalsContact O-N 3.13Å; Y1038-R1041 PolarHBondContact O-N 3.38Å; Y1038-L1042 WeakPolarHBondContact O-CG 3.42Å; Y1038-L1042 PolarHBondContact O-N 3.46Å
1039G93.9Very high85.5Confident0 Ų040 Ų400%024%0.235CC..THydrogen-bonded Turntrans-62.8-18.9-174.600000114.9I630 K631 L1035 R1041I630-G1039 CarbonylContact C-O 3.55Å; I630-G1039 WeakPolarHBondContact CA-O 3.25Å; K631-G1039 PolarHBondContact N-O 2.71Å; L1035-G1039 WeakPolarHBondContact O-CA 3.3Å; L1035-G1039 PolarHBondContact O-N 2.83Å; G1039-R1041 PolarHBondContact O-N 3.23Å
1040D94.1Very high82.7Confident67 Ų6746.3 Ų46.336%0.35827%0.268SS..THydrogen-bonded Turntrans-74.1-17.3173.969.5-45000113.2V629 K631 Y1038V629-D1040 HydrophobicContact CG2-CB 4.34Å; V629-D1040 PolarHBondContact O-N 3.31Å; K631-D1040 WeakPolarHBondContact CD-O 3.35Å; Y1038-D1040 PolarHBondContact O-N 2.85Å; Y1038-D1040 VanDerWaalsContact O-N 3.13Å
1041R94.2Very high79.9Confident110 Ų11050 Ų5042%0.41529%0.292SS..THydrogen-bonded Turntrans-114.7-19.6-179.1-63.2177.262.7-168.5-2.1113.8E976 F979 Y1038 G1039E976-R1041 IonicContact OE1-NH2 2.94Å; E976-R1041 IonicContact OE2-CZ 3.23Å; E976-R1041 IonicContact OE2-NH1 2.92Å; E976-R1041 IonicContact OE2-NH2 3.12Å; E976-R1041 PolarHBondContact OE2-NH2 2.9Å; F979-R1041 HydrophobicContact CD2-CB 4.48Å; F979-R1041 HydrophobicContact CE2-CB 3.72Å; F979-R1041 HydrophobicContact CZ-CB 3.86Å; Y1038-R1041 PolarHBondContact O-N 3.38Å; G1039-R1041 PolarHBondContact O-N 3.23Å
1042L92.6Very high76.8Confident7 Ų757 Ų574%0.03735%0.35CS..  trans-70.6140.8179.5-72.7168000111.1D632 Y635 F979 K983 L986 L1035 Y1038D632-L1042 WeakPolarHBondContact CB-O 3.45Å; Y635-L1042 HydrophobicContact CD2-CB 3.89Å; Y635-L1042 HydrophobicContact CE2-CB 3.98Å; F979-L1042 HydrophobicContact CE2-CD2 3.95Å; F979-L1042 HydrophobicContact CE2-CG 4.22Å; F979-L1042 HydrophobicContact CZ-CD2 4.3Å; K983-L1042 HydrophobicContact CB-CD2 4.09Å; K983-L1042 HydrophobicContact CG-CD2 4Å; L986-L1042 HydrophobicContact CD1-CD1 3.53Å; L986-L1042 HydrophobicContact CD1-CD2 4.46Å; L1035-L1042 HydrophobicContact CD2-CD1 3.89Å; Y1038-L1042 WeakPolarHBondContact O-CG 3.42Å; Y1038-L1042 PolarHBondContact O-N 3.46Å
1043A88.7Confident75.7Confident57 Ų5759.8 Ų59.847%0.47137%0.367SS..  trans-143137.9170.800000108.8D632D632-A1043 WeakPolarHBondContact OD2-CA 3.46Å
1044V80.3Confident74.5Confident23 Ų2362.2 Ų62.214%0.13938%0.382CS..  trans-66.4136.3178.6-68.70000110.4D632 H634 Y635 Y990 F1046D632-V1044 PolarHBondContact OD2-N 3.45Å; H634-V1044 HydrophobicContact CB-CG1 3.83Å; H634-V1044 HydrophobicContact CB-CG2 4.28Å; Y635-V1044 HydrophobicContact CD2-CG1 3.77Å; Y635-V1044 HydrophobicContact CE1-CG1 4.42Å; Y635-V1044 HydrophobicContact CE2-CB 4.38Å; Y635-V1044 HydrophobicContact CE2-CG1 3.57Å; Y635-V1044 HydrophobicContact CG-CG1 4.28Å; Y990-V1044 HydrophobicContact CD1-CG1 4.18Å; Y990-V1044 HydrophobicContact CE1-CB 4.46Å; Y990-V1044 HydrophobicContact CE1-CG1 3.59Å; V1044-F1046 VanDerWaalsContact C-N 3.25Å; V1044-F1046 PolarHBondContact O-N 3.47Å
1045P69.2Low73.3Confident56 Ų5665.6 Ų65.636%0.36440%0.404SS..SBendtrans-72-20.1-178.123.1-28.1000113.3E987E987-P1045 HydrophobicContact CG-CG 4.17Å; E987-P1045 WeakPolarHBondContact OE1-CG 3.45Å
1046F63.7Low71.9Confident159 Ų15969.5 Ų69.570%0.69743%0.427SS*.SBendtrans-145.5120.1174.3-57.5-83.6000107.9V1044 P1048V1044-F1046 VanDerWaalsContact C-N 3.25Å; V1044-F1046 PolarHBondContact O-N 3.47Å; F1046-P1048 WeakPolarHBondContact O-CD 3.41Å
1047A51.5Low70.4Confident72 Ų7270.4 Ų70.460%0.59544%0.437SS*.  trans-71.5120.7170.900000108.2
1048P51.8Low68.8Low51 Ų5171.9 Ų71.933%0.33145%0.451SS..  trans-60.6141.917024-29.5000109F1046 D1050F1046-P1048 WeakPolarHBondContact O-CD 3.41Å; P1048-D1050 PolarHBondContact O-N 3.49Å
1049A45.1Very low66.9Low108 Ų10876.2 Ų76.289%0.89348%0.481SS*.SBendtrans-62.8106.7174.100000108.5
1050D39.7Very low64.8Low133 Ų13382.1 Ų82.171%0.71152%0.518SS*.  trans65.6108.2177.8-146.8-6.5000117P1048 A1052P1048-D1050 PolarHBondContact O-N 3.49Å; D1050-A1052 VanDerWaalsContact C-N 3.31Å; D1050-A1052 VanDerWaalsContact OD1-CB 3.3Å; D1050-A1052 WeakPolarHBondContact OD1-CB 3.45Å; D1050-A1052 PolarHBondContact OD1-N 3.06Å
1051P39.8Very low62.3Low76 Ų7683.3 Ų83.349%0.49453%0.531SS..  trans-90.218.9172.337.7-34000113.6
1052A31.3Very low59.4Low148 Ų14880.9 Ų80.9100%1.22354%0.541SS*.  trans-69.60-178.500000114.4D1050D1050-A1052 VanDerWaalsContact C-N 3.31Å; D1050-A1052 VanDerWaalsContact OD1-CB 3.3Å; D1050-A1052 WeakPolarHBondContact OD1-CB 3.45Å; D1050-A1052 PolarHBondContact OD1-N 3.06Å

Retrieved 1,052 of 1,052 residues in 235.9 ms (Link to these results)

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