A0A077ZMX6_TRITR Loading...

Protein KIAA0664

AlphaFold DB , UniProt , Accession A0A077ZMX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,172 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
1M32.1Very low60.2Low243 Ų243116.5 Ų116.5100%1.19751%0.513SS*.  0120.20-66.9170.6177.300107.8
2R47Very low60.9Low154 Ų154111.5 Ų111.558%0.58149%0.493SS*.  trans-97.7115.1167.6-83-175.7173.8170.7-0.1108.5E967R2-E967 IonicContact CZ-OE1 2.8Å; R2-E967 IonicContact NE-OE1 2.76Å; R2-E967 IonicContact NH2-OE1 3.26Å; R2-E967 PolarHBondContact NH2-OE1 3.32Å
3L51.3Low61.6Low101 Ų101109.9 Ų109.953%0.52948%0.481SS..  trans-57.5155.7171-75.9163000110.2R5 H7 R8L3-R5 PolarHBondContact O-N 3.07Å; L3-H7 HydrophobicContact CB-CB 3.93Å; L3-H7 HydrophobicContact CD1-CB 4.36Å; L3-H7 WeakPolarHBondContact CD1-O 3.19Å; L3-H7 HydrophobicContact CD2-CB 4.27Å; L3-H7 HydrophobicContact CG-CB 4.42Å; L3-R8 HydrophobicContact CB-CG 4.25Å; L3-R8 PolarHBondContact O-NE 3.43Å
4R54.7Low62.4Low172 Ų172104.9 Ų104.965%0.64946%0.464SS*.  trans-51.8142.5168.1-69.8-171.8-178.2-1742.2108.3R6 H7R4-R6 HydrophobicContact CB-CG 4.31Å; R4-R6 PolarHBondContact O-N 3.04Å; R4-H7 PolarHBondContact O-N 2.82Å
5R61.9Low62.9Low72 Ų72102.1 Ų102.127%0.27247%0.468SS..G310 helixtrans-49.8-34.8-169.9-162.6179.2-175.6167.5-0.5114L3 H7 R8 D33 D39L3-R5 PolarHBondContact O-N 3.07Å; R5-H7 VanDerWaalsContact C-N 3.31Å; R5-H7 PolarHBondContact O-N 3.17Å; R5-R8 WeakPolarHBondContact O-CB 3.41Å; R5-R8 PolarHBondContact O-N 3.27Å; R5-D33 WeakPolarHBondContact CD-OD2 3.47Å; R5-D33 IonicContact CZ-OD2 2.81Å; R5-D33 IonicContact NE-OD2 2.85Å; R5-D33 IonicContact NH1-OD2 3.59Å; R5-D33 PolarHBondContact NH1-OD2 3.38Å; R5-D39 IonicContact CZ-OD2 2.7Å; R5-D39 IonicContact NE-OD2 3.15Å; R5-D39 PolarHBondContact NE-OD2 3.03Å; R5-D39 IonicContact NH1-OD2 3.91Å; R5-D39 IonicContact NH2-OD2 2.59Å; R5-D39 PolarHBondContact NH2-OD2 3.26Å
6R64.1Low63.5Low147 Ų14797.7 Ų97.756%0.55545%0.449SS*.G310 helixtrans-61.4-27.2174.474.6-178.8-171.21795116.3R4 I35R4-R6 HydrophobicContact CB-CG 4.31Å; R4-R6 PolarHBondContact O-N 3.04Å; R6-I35 HydrophobicContact CB-CD1 3.56Å
7H66.7Low63.7Low126 Ų12695 Ų9558%0.58344%0.442SS*.G310 helixtrans-102.22.8-176.8-65.6-44.5000112.2L3 R4 R5L3-H7 HydrophobicContact CB-CB 3.93Å; L3-H7 HydrophobicContact CD1-CB 4.36Å; L3-H7 WeakPolarHBondContact CD1-O 3.19Å; L3-H7 HydrophobicContact CD2-CB 4.27Å; L3-H7 HydrophobicContact CG-CB 4.42Å; R4-H7 PolarHBondContact O-N 2.82Å; R5-H7 VanDerWaalsContact C-N 3.31Å; R5-H7 PolarHBondContact O-N 3.17Å
8R68.8Low64.2Low70 Ų7092.1 Ų92.126%0.26443%0.428SS..SBendtrans-80.6154.1176.6-65.8-172.3-170.41785.2110.8L3 R5 E12L3-R8 HydrophobicContact CB-CG 4.25Å; L3-R8 PolarHBondContact O-NE 3.43Å; R5-R8 WeakPolarHBondContact O-CB 3.41Å; R5-R8 PolarHBondContact O-N 3.27Å; R8-E12 HydrophobicContact CB-CB 3.74Å; R8-E12 HydrophobicContact CB-CG 4.35Å; R8-E12 WeakPolarHBondContact CB-OE2 3.38Å; R8-E12 VanDerWaalsContact CD-OE2 3.26Å; R8-E12 WeakPolarHBondContact CD-OE2 3.48Å; R8-E12 VanDerWaalsContact CG-OE2 3.29Å; R8-E12 WeakPolarHBondContact CG-OE2 3.36Å
9H71.2Confident64.6Low68 Ų6893.4 Ų93.432%0.31544%0.435SS..  trans-56.9155.7176.1-166.5-100.6000111.3F11 E12 V964H9-F11 VanDerWaalsContact C-N 3.28Å; H9-F11 AromaticContact CE1-CD2 3.28Å; H9-F11 WeakPolarHBondContact CE1-CD2 3.38Å; H9-F11 AromaticContact CE1-CE2 3.7Å; H9-F11 AromaticContact CE1-CG 3.89Å; H9-F11 AromaticContact ND1-CD2 3.45Å; H9-F11 WeakPolarHBondContact ND1-CD2 3.45Å; H9-F11 AromaticContact ND1-CG 3.72Å; H9-F11 PolarHBondContact ND1-N 3.24Å; H9-F11 PolarHBondContact O-N 3.33Å; H9-E12 HydrophobicContact CB-CG 4.13Å; H9-E12 WeakPolarHBondContact CB-OE1 3.27Å; H9-E12 PolarHBondContact N-OE1 3.31Å; H9-E12 WeakPolarHBondContact O-CB 3.38Å; H9-E12 PolarHBondContact O-N 3.02Å; H9-V964 HydrophobicContact CB-CG1 4.44Å
10V71.9Confident65.1Low83 Ų8391.4 Ų91.450%0.50343%0.429SS..Hα-helixtrans-57.3-45.4179.2-172.80000110.6E12 R13 V14V10-E12 PolarHBondContact O-N 3.42Å; V10-E12 VanDerWaalsContact O-N 3.13Å; V10-R13 PolarHBondContact O-N 2.92Å; V10-V14 PolarHBondContact O-N 3.46Å
11F72.6Confident65.6Low45 Ų4590.2 Ų90.220%0.19742%0.421CS..Hα-helixtrans-64.8-9.3174.2-55.8-41.1000115.1H9 V931 K961 V964 M965 R968H9-F11 VanDerWaalsContact C-N 3.28Å; H9-F11 AromaticContact CE1-CD2 3.28Å; H9-F11 WeakPolarHBondContact CE1-CD2 3.38Å; H9-F11 AromaticContact CE1-CE2 3.7Å; H9-F11 AromaticContact CE1-CG 3.89Å; H9-F11 AromaticContact ND1-CD2 3.45Å; H9-F11 WeakPolarHBondContact ND1-CD2 3.45Å; H9-F11 AromaticContact ND1-CG 3.72Å; H9-F11 PolarHBondContact ND1-N 3.24Å; H9-F11 PolarHBondContact O-N 3.33Å; F11-V931 HydrophobicContact CB-CG2 4.17Å; F11-V931 HydrophobicContact CD1-CG2 4.03Å; F11-V931 HydrophobicContact CG-CG2 4.38Å; F11-K961 HydrophobicContact CE2-CB 4.17Å; F11-K961 HydrophobicContact CE2-CD 4.43Å; F11-K961 HydrophobicContact CE2-CG 4.03Å; F11-V964 HydrophobicContact CB-CG1 4.03Å; F11-M965 HydrophobicContact CD1-CE 3.85Å; F11-M965 HydrophobicContact CD2-CE 3.62Å; F11-M965 HydrophobicContact CD2-CG 4.4Å; F11-M965 HydrophobicContact CE1-CE 3.7Å; F11-M965 HydrophobicContact CE2-CE 3.47Å; F11-M965 VanDerWaalsContact CE2-CE 3.47Å; F11-M965 HydrophobicContact CG-CE 3.84Å; F11-M965 HydrophobicContact CG-CG 4.5Å; F11-M965 HydrophobicContact CZ-CE 3.52Å; F11-R968 WeakPolarHBondContact O-CD 3.41Å; F11-R968 PolarHBondContact O-NH1 3.05Å
12E68.6Low68Low57 Ų5780.4 Ų80.427%0.26638%0.376SS..Hα-helixtrans-87.4-12.3169.9-73.1176.8-103.600113.4R8 H9 V10 V964 R968R8-E12 HydrophobicContact CB-CB 3.74Å; R8-E12 HydrophobicContact CB-CG 4.35Å; R8-E12 WeakPolarHBondContact CB-OE2 3.38Å; R8-E12 VanDerWaalsContact CD-OE2 3.26Å; R8-E12 WeakPolarHBondContact CD-OE2 3.48Å; R8-E12 VanDerWaalsContact CG-OE2 3.29Å; R8-E12 WeakPolarHBondContact CG-OE2 3.36Å; H9-E12 HydrophobicContact CB-CG 4.13Å; H9-E12 WeakPolarHBondContact CB-OE1 3.27Å; H9-E12 PolarHBondContact N-OE1 3.31Å; H9-E12 WeakPolarHBondContact O-CB 3.38Å; H9-E12 PolarHBondContact O-N 3.02Å; V10-E12 PolarHBondContact O-N 3.42Å; V10-E12 VanDerWaalsContact O-N 3.13Å; E12-V964 HydrophobicContact CG-CG1 3.87Å; E12-R968 VanDerWaalsContact C-NH1 3.26Å; E12-R968 PolarHBondContact O-NH1 2.89Å
13R70.5Confident70Confident91 Ų9173.8 Ų73.834%0.34335%0.351SS..Hα-helixtrans-100.2-36.3-177.7-64-173.9-76.4157.8-2.7113.4V10V10-R13 PolarHBondContact O-N 2.92Å
14V72.2Confident71.8Confident39 Ų3970.5 Ų70.524%0.23633%0.332CS..SBendtrans-49.3134.7179.6172.20000112.2V10 V931 R968V10-V14 PolarHBondContact O-N 3.46Å; V14-V931 HydrophobicContact CB-CG2 4.39Å; V14-V931 HydrophobicContact CG1-CG2 4.25Å; V14-R968 PolarHBondContact O-NH1 3.38Å; V14-R968 PolarHBondContact O-NH2 2.67Å
15A69.3Low73.2Confident64 Ų6463.6 Ų63.653%0.52931%0.311SS..PPolyproline II helixtrans-70.8135.3170.300000110.4
16L73Confident74.1Confident31 Ų3162.8 Ų62.816%0.16232%0.315CS..PPolyproline II helixtrans-76.6143.3169.3-69.7176.4000108.9F18 V20 V931 R968L16-F18 HydrophobicContact CB-CD1 4.46Å; L16-F18 VanDerWaalsContact CB-O 3.25Å; L16-F18 WeakPolarHBondContact CB-O 3.31Å; L16-F18 HydrophobicContact CD1-CE2 4.2Å; L16-F18 HydrophobicContact CD1-CZ 4.39Å; L16-F18 HydrophobicContact CD2-CE1 4.43Å; L16-F18 HydrophobicContact CD2-CZ 4.41Å; L16-F18 PolarHBondContact O-N 3.22Å; L16-V20 HydrophobicContact CD1-CB 4.34Å; L16-V20 HydrophobicContact CD1-CG2 3.73Å; L16-V931 HydrophobicContact CD2-CB 3.86Å; L16-V931 HydrophobicContact CD2-CG1 3.52Å; L16-R968 HydrophobicContact CD1-CB 4.32Å; L16-R968 WeakPolarHBondContact CD1-O 3.44Å
17P66.6Low74.4Confident52 Ų5261 Ų6134%0.33832%0.32SS..SBendtrans-74.821.3171.232.9-34.2000112.2R886P17-R886 PolarHBondContact O-NH1 3.33Å
18F73Confident74.5Confident42 Ų4260.2 Ų60.218%0.18432%0.324CS..SBendtrans-159.8153179.858.9-89.8000111.8L16 V20 R886 P933 C969L16-F18 HydrophobicContact CB-CD1 4.46Å; L16-F18 VanDerWaalsContact CB-O 3.25Å; L16-F18 WeakPolarHBondContact CB-O 3.31Å; L16-F18 HydrophobicContact CD1-CE2 4.2Å; L16-F18 HydrophobicContact CD1-CZ 4.39Å; L16-F18 HydrophobicContact CD2-CE1 4.43Å; L16-F18 HydrophobicContact CD2-CZ 4.41Å; L16-F18 PolarHBondContact O-N 3.22Å; F18-V20 HydrophobicContact CD2-CG2 3.5Å; F18-V20 HydrophobicContact CE2-CG2 3.39Å; F18-R886 VanDerWaalsContact CB-CZ 3.45Å; F18-R886 VanDerWaalsContact CB-NH2 3.31Å; F18-P933 HydrophobicContact CZ-CG 4.28Å; F18-C969 HydrophobicContact CZ-CB 4.21Å
19Q71.6Confident74.6Confident118 Ų11864.1 Ų64.155%0.55135%0.348SS*.  trans-90.2118.5-174.7-141.31597.900110.5Y21Q19-Y21 HydrophobicContact CB-CE2 3.98Å; Q19-Y21 HydrophobicContact CG-CD1 4.47Å; Q19-Y21 HydrophobicContact CG-CD2 4.36Å; Q19-Y21 HydrophobicContact CG-CE1 3.85Å; Q19-Y21 HydrophobicContact CG-CE2 3.72Å; Q19-Y21 VanDerWaalsContact CG-CZ 3.48Å; Q19-Y21 PolarHBondContact NE2-OH 3.41Å; Q19-Y21 PolarHBondContact OE1-OH 2.97Å
20V74.7Confident74.6Confident53 Ų5367.5 Ų67.532%0.32136%0.364SS..  trans-112.8112.3172.7-1760000107.7L16 F18 R968 C969L16-V20 HydrophobicContact CD1-CB 4.34Å; L16-V20 HydrophobicContact CD1-CG2 3.73Å; F18-V20 HydrophobicContact CD2-CG2 3.5Å; F18-V20 HydrophobicContact CE2-CG2 3.39Å; V20-R968 WeakPolarHBondContact CB-O 3.25Å; V20-R968 WeakPolarHBondContact CG1-O 3.28Å; V20-R968 WeakPolarHBondContact CG2-O 3.4Å; V20-C969 WeakPolarHBondContact CG2-O 3.38Å
21Y74.9Confident74.4Confident67 Ų6768 Ų6826%0.26337%0.367SS..  trans-96.6125.8-178.9-64.7-73.8000110.4Q19 N881 P882Q19-Y21 HydrophobicContact CB-CE2 3.98Å; Q19-Y21 HydrophobicContact CG-CD1 4.47Å; Q19-Y21 HydrophobicContact CG-CD2 4.36Å; Q19-Y21 HydrophobicContact CG-CE1 3.85Å; Q19-Y21 HydrophobicContact CG-CE2 3.72Å; Q19-Y21 VanDerWaalsContact CG-CZ 3.48Å; Q19-Y21 PolarHBondContact NE2-OH 3.41Å; Q19-Y21 PolarHBondContact OE1-OH 2.97Å; Y21-N881 HydrophobicContact CD1-CB 3.62Å; Y21-N881 VanDerWaalsContact CD1-OD1 3.3Å; Y21-N881 WeakPolarHBondContact CD1-OD1 3.25Å; Y21-N881 HydrophobicContact CD2-CB 3.85Å; Y21-N881 HydrophobicContact CE1-CB 3.55Å; Y21-N881 WeakPolarHBondContact CE1-OD1 3.36Å; Y21-N881 HydrophobicContact CE2-CB 3.79Å; Y21-N881 HydrophobicContact CG-CB 3.72Å; Y21-P882 VanDerWaalsContact CE2-O 3.24Å; Y21-P882 WeakPolarHBondContact CE2-O 3.49Å; Y21-P882 VanDerWaalsContact OH-CD 3.31Å; Y21-P882 WeakPolarHBondContact OH-CD 3.47Å; Y21-P882 WeakPolarHBondContact OH-CG 3.3Å
22C83.3Confident74.4Confident37 Ų3771.6 Ų71.625%0.2539%0.389CS..  trans-77.9125.3164.9-168.40000108.3F24 Q856C22-F24 PolarHBondContact O-N 3.32Å; C22-F24 VanDerWaalsContact O-N 3.14Å; C22-F24 PolarHBondContact SG-O 3.47Å; C22-F24 VanDerWaalsContact SG-O 3.39Å; C22-Q856 WeakPolarHBondContact O-CG 3.19Å; C22-Q856 PolarHBondContact O-NE2 3.13Å
23W89Confident74.4Confident15 Ų1571.1 Ų71.16%0.05739%0.388CS..SBendtrans-69-6.5-179.371.4-89.9000113.4F843 L846 R847 C850 I851 Q856 V857 D973W23-F843 HydrophobicContact CH2-CD2 4.32Å; W23-F843 HydrophobicContact CH2-CE1 4.34Å; W23-F843 AromaticContact CH2-CE2 3.6Å; W23-F843 HydrophobicContact CH2-CE2 3.6Å; W23-F843 AromaticContact CH2-CZ 3.61Å; W23-F843 HydrophobicContact CH2-CZ 3.61Å; W23-F843 AromaticContact CZ2-CE1 3.98Å; W23-F843 HydrophobicContact CZ2-CE1 3.98Å; W23-F843 AromaticContact CZ2-CE2 3.98Å; W23-F843 HydrophobicContact CZ2-CE2 3.98Å; W23-F843 AromaticContact CZ2-CZ 3.47Å; W23-F843 HydrophobicContact CZ2-CZ 3.47Å; W23-F843 VanDerWaalsContact CZ2-CZ 3.47Å; W23-L846 HydrophobicContact CH2-CD2 4.32Å; W23-L846 HydrophobicContact CZ3-CD2 4.03Å; W23-L846 HydrophobicContact CZ3-CG 4.06Å; W23-R847 HydrophobicContact CD2-CB 4.37Å; W23-R847 HydrophobicContact CD2-CG 4.38Å; W23-R847 HydrophobicContact CH2-CB 4.2Å; W23-R847 HydrophobicContact CZ2-CB 3.7Å; W23-R847 HydrophobicContact CZ2-CG 4.05Å; W23-C850 HydrophobicContact CB-CB 3.97Å; W23-C850 HydrophobicContact CD2-CB 4.46Å; W23-C850 HydrophobicContact CE3-CB 3.99Å; W23-I851 HydrophobicContact CB-CG1 3.84Å; W23-I851 HydrophobicContact CG-CD1 4.46Å; W23-I851 HydrophobicContact CG-CG1 3.99Å; W23-Q856 CarbonylContact O-C 3.6Å; W23-Q856 WeakPolarHBondContact O-CA 3.37Å; W23-V857 PolarHBondContact O-N 3.06Å; W23-D973 PolarHBondContact NE1-OD2 3.13Å
24F88.7Confident74.4Confident31 Ų3176 Ų7614%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-123.3161.3165.157-90000112.7C22 Q856 V857 L859 I972C22-F24 PolarHBondContact O-N 3.32Å; C22-F24 VanDerWaalsContact O-N 3.14Å; C22-F24 PolarHBondContact SG-O 3.47Å; C22-F24 VanDerWaalsContact SG-O 3.39Å; F24-Q856 PolarHBondContact O-NE2 2.96Å; F24-Q856 VanDerWaalsContact O-NE2 3.14Å; F24-V857 CarbonylContact C-O 3.58Å; F24-V857 WeakPolarHBondContact CA-O 3.2Å; F24-V857 WeakPolarHBondContact CB-O 3.13Å; F24-L859 HydrophobicContact CD2-CB 4.28Å; F24-L859 HydrophobicContact CD2-CD1 3.93Å; F24-L859 HydrophobicContact CD2-CD2 4.35Å; F24-L859 HydrophobicContact CD2-CG 4.42Å; F24-L859 HydrophobicContact CE2-CD1 4.29Å; F24-L859 HydrophobicContact CE2-CD2 4.49Å; F24-L859 HydrophobicContact CG-CD1 4.42Å; F24-I972 HydrophobicContact CE2-CD1 3.93Å; F24-I972 HydrophobicContact CZ-CD1 3.55Å; F24-I972 HydrophobicContact CZ-CG1 3.74Å
25S84.9Confident74.3Confident28 Ų2874.9 Ų74.920%0.19640%0.4CS..EExtended strand (participates in β ladder)trans-126.2121.5175.2-165.80000110.9V857 L859S25-V857 PolarHBondContact N-O 2.73Å; S25-L859 VanDerWaalsContact O-CB 3.31Å; S25-L859 WeakPolarHBondContact O-CB 3.48Å; S25-L859 PolarHBondContact O-N 3.14Å
26P80.4Confident74.3Confident55 Ų5579.3 Ų79.336%0.35740%0.403SS..  trans-63.9140.9170.627.6-32.6000110.7T28 L859P26-T28 HydrophobicContact CB-CG2 4.38Å; P26-T28 HydrophobicContact CG-CG2 4.09Å; P26-T28 PolarHBondContact O-N 2.92Å; P26-L859 HydrophobicContact CB-CD2 4.07Å
27V71.6Confident74.1Confident109 Ų10981.1 Ų81.166%0.66142%0.423SS*.  trans-68.495.6170.2-176.40000108.6K858V27-K858 HydrophobicContact CG2-CG 4Å
28T68.1Low74.1Confident110 Ų11084.5 Ų84.568%0.67543%0.434SS*.PPolyproline II helixtrans-97.1122.9177.6550000110.9P26 H30P26-T28 HydrophobicContact CB-CG2 4.38Å; P26-T28 HydrophobicContact CG-CG2 4.09Å; P26-T28 PolarHBondContact O-N 2.92Å; T28-H30 PolarHBondContact O-N 2.84Å
29I69.8Low73.7Confident151 Ų15184 Ų8477%0.77443%0.433SS*.PPolyproline II helixtrans-61.4131.6163.6-56.6173.7000107.9T31I29-T31 PolarHBondContact O-N 3.44Å
30H71.9Confident73Confident140 Ų14085.8 Ų85.865%0.64844%0.435SS*.PPolyproline II helixtrans-64.3124.3176.7-179.3-88.8000110.2T28T28-H30 PolarHBondContact O-N 2.84Å
31T68.8Low72Confident92 Ų9291.4 Ų91.456%0.56445%0.452SS*.  trans-124.5137.117461.20000109.6I29 D33I29-T31 PolarHBondContact O-N 3.44Å; T31-D33 PolarHBondContact O-N 3.21Å
32N71.8Confident70.9Confident121 Ų12194.1 Ų94.165%0.64747%0.468SS*.  trans-55.3123.5175.8-72.5-0.1000111
33D67.9Low69.3Low47 Ų4797.6 Ų97.625%0.25148%0.484SS..  trans-111.189.4-179.1-177.222.5000109.1R5 T31 I35 R36R5-D33 WeakPolarHBondContact CD-OD2 3.47Å; R5-D33 IonicContact CZ-OD2 2.81Å; R5-D33 IonicContact NE-OD2 2.85Å; R5-D33 IonicContact NH1-OD2 3.59Å; R5-D33 PolarHBondContact NH1-OD2 3.38Å; T31-D33 PolarHBondContact O-N 3.21Å; D33-I35 PolarHBondContact O-N 2.89Å; D33-R36 HydrophobicContact CB-CB 4.31Å; D33-R36 WeakPolarHBondContact O-CB 3.47Å; D33-R36 PolarHBondContact O-N 3.37Å
34Y71Confident67.5Low193 Ų193102.3 Ų102.376%0.75750%0.502SS*.THydrogen-bonded Turntrans-57.6-30.6-179.7-60.4-82.2000112.6R36 A37Y34-R36 PolarHBondContact O-N 3.15Å; Y34-A37 PolarHBondContact O-N 3.07Å
35I70.9Confident65.1Low17 Ų17107.5 Ų107.59%0.08753%0.531CS..Hα-helixtrans-66.6-21.9176.5-63.8175.3000111.5R6 D33 A37 E38 D39R6-I35 HydrophobicContact CB-CD1 3.56Å; D33-I35 PolarHBondContact O-N 2.89Å; I35-A37 PolarHBondContact O-N 3.1Å; I35-E38 PolarHBondContact O-N 3.41Å; I35-E38 VanDerWaalsContact O-N 3.16Å; I35-D39 WeakPolarHBondContact O-CB 3.35Å; I35-D39 PolarHBondContact O-N 2.88Å
36R69.6Low63.1Low157 Ų157107.9 Ų107.959%0.59254%0.539SS*.Hα-helixtrans-59-32174.6-178.2-180-83.1171.5-6.8111.9D33 Y34 W40D33-R36 HydrophobicContact CB-CB 4.31Å; D33-R36 WeakPolarHBondContact O-CB 3.47Å; D33-R36 PolarHBondContact O-N 3.37Å; Y34-R36 PolarHBondContact O-N 3.15Å; R36-W40 VanDerWaalsContact O-CB 3.23Å; R36-W40 WeakPolarHBondContact O-CB 3.2Å; R36-W40 PolarHBondContact O-N 3.43Å
37A67.7Low61.4Low69 Ų69113.7 Ų113.757%0.5756%0.555SS**Hα-helixtrans-72.3-43.8175.500000111.8Y34 I35 W40 Y41Y34-A37 PolarHBondContact O-N 3.07Å; I35-A37 PolarHBondContact O-N 3.1Å; A37-W40 PolarHBondContact O-N 3.48Å; A37-Y41 PolarHBondContact O-N 2.71Å; A37-Y41 VanDerWaalsContact O-N 3.14Å
38E66.7Low60.1Low122 Ų122113.3 Ų113.357%0.5755%0.546SS*.Hα-helixtrans-62.8-48.7175.7-61.1178.4151.600111.6I35 W40 Y41 M42I35-E38 PolarHBondContact O-N 3.41Å; I35-E38 VanDerWaalsContact O-N 3.16Å; E38-W40 VanDerWaalsContact C-N 3.3Å; E38-W40 PolarHBondContact O-N 2.69Å; E38-Y41 PolarHBondContact O-N 3.06Å; E38-Y41 VanDerWaalsContact O-N 3.17Å; E38-M42 WeakPolarHBondContact O-CG 3.48Å; E38-M42 PolarHBondContact O-N 3.5Å
39D63.8Low58.9Low31 Ų31113.6 Ų113.617%0.16654%0.543CS..Hα-helixtrans-62-36.9176.7-81.3-11.2000111.3R5 I35 Y41 M42 N43R5-D39 IonicContact CZ-OD2 2.7Å; R5-D39 IonicContact NE-OD2 3.15Å; R5-D39 PolarHBondContact NE-OD2 3.03Å; R5-D39 IonicContact NH1-OD2 3.91Å; R5-D39 IonicContact NH2-OD2 2.59Å; R5-D39 PolarHBondContact NH2-OD2 3.26Å; I35-D39 WeakPolarHBondContact O-CB 3.35Å; I35-D39 PolarHBondContact O-N 2.88Å; D39-Y41 VanDerWaalsContact C-N 3.32Å; D39-Y41 PolarHBondContact O-N 2.97Å; D39-M42 PolarHBondContact O-N 3.26Å; D39-N43 VanDerWaalsContact O-CB 3.31Å; D39-N43 WeakPolarHBondContact O-CB 3.44Å; D39-N43 VanDerWaalsContact O-CG 3.32Å; D39-N43 PolarHBondContact O-N 2.95Å; D39-N43 PolarHBondContact O-ND2 3.41Å
40W57.7Low58Low156 Ų156110.5 Ų110.559%0.59152%0.524SS*.Hα-helixtrans-65.2-36.8176.4-174.987.3000112R36 A37 E38 R44R36-W40 VanDerWaalsContact O-CB 3.23Å; R36-W40 WeakPolarHBondContact O-CB 3.2Å; R36-W40 PolarHBondContact O-N 3.43Å; A37-W40 PolarHBondContact O-N 3.48Å; E38-W40 VanDerWaalsContact C-N 3.3Å; E38-W40 PolarHBondContact O-N 2.69Å; W40-R44 VanDerWaalsContact CH2-CZ 3.41Å; W40-R44 VanDerWaalsContact CZ2-NE 3.27Å
41Y53Low56.5Low172 Ų172110.1 Ų110.168%0.67553%0.526SS*.Hα-helixtrans-71.7-42.8174.3-159.8-89000112.2A37 E38 D39 R44A37-Y41 PolarHBondContact O-N 2.71Å; A37-Y41 VanDerWaalsContact O-N 3.14Å; E38-Y41 PolarHBondContact O-N 3.06Å; E38-Y41 VanDerWaalsContact O-N 3.17Å; D39-Y41 VanDerWaalsContact C-N 3.32Å; D39-Y41 PolarHBondContact O-N 2.97Å; Y41-R44 WeakPolarHBondContact O-CB 3.48Å; Y41-R44 PolarHBondContact O-N 2.89Å
42M52Low55.2Low124 Ų124112.3 Ų112.361%0.61154%0.542SS*.Hα-helixtrans-72.3-31.8-178.2-69.1-65.6153.500113.5E38 D39 R44E38-M42 WeakPolarHBondContact O-CG 3.48Å; E38-M42 PolarHBondContact O-N 3.5Å; D39-M42 PolarHBondContact O-N 3.26Å; M42-R44 PolarHBondContact O-N 2.93Å
43N51.2Low54.4Low110 Ų110110.5 Ų110.559%0.58855%0.552SS**THydrogen-bonded Turntrans-77-6.8174-69.5-60.8000113.1D39 L45D39-N43 VanDerWaalsContact O-CB 3.31Å; D39-N43 WeakPolarHBondContact O-CB 3.44Å; D39-N43 VanDerWaalsContact O-CG 3.32Å; D39-N43 PolarHBondContact O-N 2.95Å; D39-N43 PolarHBondContact O-ND2 3.41Å; N43-L45 PolarHBondContact O-N 3.43Å
44R50.3Low54Low113 Ų113114.6 Ų114.643%0.42657%0.57SS.*THydrogen-bonded Turntrans-797.9178.7-109.6178-179.5-120.5-12114.8W40 Y41 M42 G46 D49W40-R44 VanDerWaalsContact CH2-CZ 3.41Å; W40-R44 VanDerWaalsContact CZ2-NE 3.27Å; Y41-R44 WeakPolarHBondContact O-CB 3.48Å; Y41-R44 PolarHBondContact O-N 2.89Å; M42-R44 PolarHBondContact O-N 2.93Å; R44-G46 VanDerWaalsContact C-N 3.31Å; R44-G46 PolarHBondContact O-N 2.82Å; R44-D49 IonicContact CZ-OD1 2.93Å; R44-D49 IonicContact CZ-OD2 2.93Å; R44-D49 IonicContact NH1-OD2 3.19Å; R44-D49 PolarHBondContact NH1-OD2 2.85Å; R44-D49 IonicContact NH2-OD1 2.64Å; R44-D49 PolarHBondContact NH2-OD1 3.18Å; R44-D49 IonicContact NH2-OD2 2.67Å; R44-D49 PolarHBondContact NH2-OD2 2.85Å
45L38.2Very low54Low141 Ų141107.7 Ų107.774%0.73855%0.553SS**SBendtrans-76.874.9179.8-85156.7000113.2N43 K85N43-L45 PolarHBondContact O-N 3.43Å; L45-K85 PolarHBondContact O-NZ 3.28Å
46G42.5Very low54.5Low35 Ų35107.6 Ų107.636%0.36155%0.551SS.*SBendtrans121.9104.9159.800000115.2R44R44-G46 VanDerWaalsContact C-N 3.31Å; R44-G46 PolarHBondContact O-N 2.82Å
47Y44.1Very low55.3Low178 Ų178103.7 Ų103.770%0.69854%0.542SS*.SBendtrans63.439157.5-60.9-78.5000119.9F50Y47-F50 HydrophobicContact CD1-CE1 4.46Å; Y47-F50 HydrophobicContact CD1-CE2 4.45Å; Y47-F50 AromaticContact CD1-CZ 3.87Å; Y47-F50 HydrophobicContact CD1-CZ 3.87Å
48E44.4Very low56.4Low100 Ų100100.5 Ų100.547%0.46752%0.516SS..  trans-123.680.7151.2-77.2-151.7155.300110.7R96E48-R96 IonicContact OE1-NH1 3.89Å; E48-R96 PolarHBondContact OE1-NH1 3.28Å; E48-R96 IonicContact OE2-CZ 3.65Å; E48-R96 IonicContact OE2-NH1 3.06Å; E48-R96 PolarHBondContact OE2-NH1 2.82Å; E48-R96 IonicContact OE2-NH2 3.75Å
49D44.1Very low57.4Low117 Ų11794.8 Ų94.863%0.62649%0.489SS*.  trans-167.650158-111.315.3000107.8R44 L51R44-D49 IonicContact CZ-OD1 2.93Å; R44-D49 IonicContact CZ-OD2 2.93Å; R44-D49 IonicContact NH1-OD2 3.19Å; R44-D49 PolarHBondContact NH1-OD2 2.85Å; R44-D49 IonicContact NH2-OD1 2.64Å; R44-D49 PolarHBondContact NH2-OD1 3.18Å; R44-D49 IonicContact NH2-OD2 2.67Å; R44-D49 PolarHBondContact NH2-OD2 2.85Å; D49-L51 PolarHBondContact O-N 3.25Å
50F51.2Low58.7Low85 Ų8596.7 Ų96.737%0.37350%0.497SS..  trans-64.7137.9171.4-75-80.1000109.3Y47 Q54 R56Y47-F50 HydrophobicContact CD1-CE1 4.46Å; Y47-F50 HydrophobicContact CD1-CE2 4.45Å; Y47-F50 AromaticContact CD1-CZ 3.87Å; Y47-F50 HydrophobicContact CD1-CZ 3.87Å; F50-Q54 HydrophobicContact CB-CB 4.42Å; F50-Q54 WeakPolarHBondContact CB-O 3.26Å; F50-Q54 HydrophobicContact CD1-CB 4.3Å; F50-R56 HydrophobicContact CE2-CB 4.42Å; F50-R56 HydrophobicContact CE2-CG 4.41Å
51L40.4Very low60.2Low132 Ų13291.8 Ų91.869%0.69148%0.48SS*.  trans-51137.7173.4-76.2157.9000109.8D49 G53 Q54D49-L51 PolarHBondContact O-N 3.25Å; L51-G53 PolarHBondContact O-N 2.86Å; L51-Q54 PolarHBondContact O-N 3.08Å
52P41.3Very low62Low139 Ų13983.6 Ų83.690%0.90345%0.448SS*.THydrogen-bonded Turntrans-52.4108.2176.4-26.134.2000110.8
53G53.4Low63.8Low83 Ų8377.8 Ų77.886%0.85642%0.419SS*.THydrogen-bonded Turntrans129-20.7-175.800000115.6L51L51-G53 PolarHBondContact O-N 2.86Å
54Q61.4Low65.7Low132 Ų13274.9 Ų74.962%0.61741%0.408SS*.  trans-99.5109.7172.5-75.6-174.6-18.600111.2F50 L51F50-Q54 HydrophobicContact CB-CB 4.42Å; F50-Q54 WeakPolarHBondContact CB-O 3.26Å; F50-Q54 HydrophobicContact CD1-CB 4.3Å; L51-Q54 PolarHBondContact O-N 3.08Å
55A69.3Low67.6Low49 Ų4969.9 Ų69.941%0.40539%0.39SS..  trans-87.9139.917300000110.8N138A55-N138 WeakPolarHBondContact CB-ND2 3.4Å; A55-N138 PolarHBondContact O-ND2 2.89Å
56R83Confident70Confident15 Ų1563.5 Ų63.56%0.05736%0.357CS..  trans-66136-177.4-170.6172.8177.9-178.3-7.2111F50 W58 E61 D89 N138F50-R56 HydrophobicContact CE2-CB 4.42Å; F50-R56 HydrophobicContact CE2-CG 4.41Å; R56-W58 HydrophobicContact CB-CZ2 4.49Å; R56-W58 HydrophobicContact CG-CD2 4.4Å; R56-W58 HydrophobicContact CG-CE3 4.5Å; R56-W58 VanDerWaalsContact CZ-CZ3 3.43Å; R56-W58 PolarHBondContact O-N 2.92Å; R56-E61 WeakPolarHBondContact CD-OE1 3.44Å; R56-E61 WeakPolarHBondContact CG-OE1 3.35Å; R56-E61 IonicContact CZ-OE1 3.27Å; R56-E61 IonicContact CZ-OE2 3.01Å; R56-E61 VanDerWaalsContact CZ-OE2 3.28Å; R56-E61 VanDerWaalsContact NE-CD 3.29Å; R56-E61 IonicContact NE-OE1 2.81Å; R56-E61 PolarHBondContact NE-OE1 3.27Å; R56-E61 IonicContact NE-OE2 3.61Å; R56-E61 PolarHBondContact NE-OE2 3.12Å; R56-E61 VanDerWaalsContact NE-OE2 3.1Å; R56-E61 IonicContact NH2-OE1 2.68Å; R56-E61 IonicContact NH2-OE2 3.09Å; R56-E61 PolarHBondContact NH2-OE2 2.91Å; R56-D89 IonicContact CZ-OD2 2.64Å; R56-D89 VanDerWaalsContact NH1-CB 3.35Å; R56-D89 IonicContact NH1-OD2 3.76Å; R56-D89 PolarHBondContact NH1-OD2 3.46Å; R56-D89 IonicContact NH2-OD2 3.33Å; R56-D89 PolarHBondContact NH2-OD2 3.34Å; R56-N138 VanDerWaalsContact O-CB 3.31Å; R56-N138 WeakPolarHBondContact O-CB 3.12Å; R56-N138 PolarHBondContact O-ND2 3.38Å
57D86.2Confident72.2Confident75 Ų7567.1 Ų67.140%0.40136%0.364SS..  trans-88.887.2172.1-164.9-30000110.1N59 E60 E61D57-N59 PolarHBondContact O-N 3.22Å; D57-N59 PolarHBondContact OD1-N 2.98Å; D57-E60 HydrophobicContact CB-CB 4.16Å; D57-E60 PolarHBondContact O-N 3.06Å; D57-E60 PolarHBondContact OD1-N 2.65Å; D57-E61 PolarHBondContact O-N 3.49Å
58W89.4Confident74.4Confident2 Ų261.6 Ų61.61%0.00835%0.345CS..Hα-helixtrans-57.5-33.5177.3-61.2108.2000113.3R56 I62 D89 F90 A93 N137 I139R56-W58 HydrophobicContact CB-CZ2 4.49Å; R56-W58 HydrophobicContact CG-CD2 4.4Å; R56-W58 HydrophobicContact CG-CE3 4.5Å; R56-W58 VanDerWaalsContact CZ-CZ3 3.43Å; R56-W58 PolarHBondContact O-N 2.92Å; W58-I62 WeakPolarHBondContact O-CB 3.45Å; W58-I62 WeakPolarHBondContact O-CD1 3.14Å; W58-I62 WeakPolarHBondContact O-CG1 3.35Å; W58-I62 PolarHBondContact O-N 3.33Å; W58-D89 HydrophobicContact CH2-CB 3.96Å; W58-D89 HydrophobicContact CZ3-CB 3.76Å; W58-F90 HydrophobicContact CB-CD2 4.05Å; W58-F90 HydrophobicContact CB-CE2 4.49Å; W58-F90 HydrophobicContact CD2-CB 4.29Å; W58-F90 AromaticContact CD2-CD2 3.81Å; W58-F90 HydrophobicContact CD2-CD2 3.81Å; W58-F90 HydrophobicContact CE3-CB 3.71Å; W58-F90 HydrophobicContact CE3-CD2 4.07Å; W58-F90 HydrophobicContact CE3-CG 4.4Å; W58-F90 AromaticContact CG-CD2 3.8Å; W58-F90 HydrophobicContact CG-CD2 3.8Å; W58-F90 HydrophobicContact CG-CE2 4.4Å; W58-F90 HydrophobicContact CH2-CB 4.48Å; W58-F90 VanDerWaalsContact CZ3-CA 3.43Å; W58-F90 HydrophobicContact CZ3-CB 3.81Å; W58-F90 VanDerWaalsContact CZ3-N 3.28Å; W58-A93 HydrophobicContact CH2-CB 3.9Å; W58-A93 HydrophobicContact CZ2-CB 3.45Å; W58-A93 VanDerWaalsContact CZ2-CB 3.45Å; W58-N137 PolarHBondContact NE1-O 3.35Å; W58-I139 HydrophobicContact CG-CG1 4.49Å; W58-I139 HydrophobicContact CZ2-CD1 4.47Å
59N89.4Confident76.6Confident1 Ų160.5 Ų60.51%0.00535%0.347CS..Hα-helixtrans-75-48.2-176.1-179.675.4000110.3D57 E61 I62 Q63 V202 P204 Y326D57-N59 PolarHBondContact O-N 3.22Å; D57-N59 PolarHBondContact OD1-N 2.98Å; N59-E61 PolarHBondContact O-N 3.14Å; N59-I62 PolarHBondContact O-N 3.42Å; N59-I62 VanDerWaalsContact O-N 3.14Å; N59-Q63 WeakPolarHBondContact O-CG 3.49Å; N59-Q63 PolarHBondContact O-N 3.11Å; N59-Q63 PolarHBondContact OD1-NE2 3.4Å; N59-V202 VanDerWaalsContact CB-O 3.29Å; N59-V202 WeakPolarHBondContact CB-O 3.39Å; N59-P204 WeakPolarHBondContact ND2-CD 3.37Å; N59-P204 WeakPolarHBondContact ND2-CG 3.46Å; N59-Y326 PolarHBondContact ND2-OH 3.47Å; N59-Y326 WeakPolarHBondContact OD1-CE1 3.43Å
60E89.5Confident78.6Confident72 Ų7258.1 Ų58.134%0.33633%0.329SS..Hα-helixtrans-61.6-43.5179.6-171.654.2-133.200111.9D57 I62 Q63 S64 R324D57-E60 HydrophobicContact CB-CB 4.16Å; D57-E60 PolarHBondContact O-N 3.06Å; D57-E60 PolarHBondContact OD1-N 2.65Å; E60-I62 VanDerWaalsContact C-N 3.27Å; E60-I62 PolarHBondContact O-N 3.23Å; E60-Q63 PolarHBondContact O-N 3.49Å; E60-S64 VanDerWaalsContact O-CB 3.25Å; E60-S64 WeakPolarHBondContact O-CB 3.22Å; E60-S64 PolarHBondContact O-N 2.89Å; E60-S64 PolarHBondContact O-OG 3.3Å; E60-R324 IonicContact OE1-CZ 3.32Å; E60-R324 IonicContact OE1-NH1 2.75Å; E60-R324 IonicContact OE1-NH2 3.48Å; E60-R324 PolarHBondContact OE1-NH2 3.47Å; E60-R324 IonicContact OE2-CZ 3.86Å; E60-R324 IonicContact OE2-NH1 3.77Å; E60-R324 PolarHBondContact OE2-NH1 2.94Å; E60-R324 IonicContact OE2-NH2 3.63Å; E60-R324 PolarHBondContact OE2-NH2 3.42Å
61E89.7Confident80.4Confident52 Ų5263 Ų6324%0.24335%0.35CS..Hα-helixtrans-59.8-36.5175.2-76.2-173.8-138.200112.9R56 D57 N59 S64 S65 I86R56-E61 WeakPolarHBondContact CD-OE1 3.44Å; R56-E61 WeakPolarHBondContact CG-OE1 3.35Å; R56-E61 IonicContact CZ-OE1 3.27Å; R56-E61 IonicContact CZ-OE2 3.01Å; R56-E61 VanDerWaalsContact CZ-OE2 3.28Å; R56-E61 VanDerWaalsContact NE-CD 3.29Å; R56-E61 IonicContact NE-OE1 2.81Å; R56-E61 PolarHBondContact NE-OE1 3.27Å; R56-E61 IonicContact NE-OE2 3.61Å; R56-E61 PolarHBondContact NE-OE2 3.12Å; R56-E61 VanDerWaalsContact NE-OE2 3.1Å; R56-E61 IonicContact NH2-OE1 2.68Å; R56-E61 IonicContact NH2-OE2 3.09Å; R56-E61 PolarHBondContact NH2-OE2 2.91Å; D57-E61 PolarHBondContact O-N 3.49Å; N59-E61 PolarHBondContact O-N 3.14Å; E61-S64 WeakPolarHBondContact CA-OG 3.31Å; E61-S64 PolarHBondContact O-OG 3.14Å; E61-S65 WeakPolarHBondContact O-CB 3.27Å; E61-S65 PolarHBondContact O-N 3.31Å; E61-S65 VanDerWaalsContact O-N 3.16Å; E61-S65 PolarHBondContact O-OG 3.37Å; E61-I86 HydrophobicContact CB-CD1 4.26Å; E61-I86 HydrophobicContact CB-CG2 4.06Å
62I90.3Very high82.9Confident0 Ų059.9 Ų59.90%034%0.337CS..Hα-helixtrans-77.1-44.1179.8-74.3171.1000111.5W58 N59 E60 S65 R66 I86 Y87 A186W58-I62 WeakPolarHBondContact O-CB 3.45Å; W58-I62 WeakPolarHBondContact O-CD1 3.14Å; W58-I62 WeakPolarHBondContact O-CG1 3.35Å; W58-I62 PolarHBondContact O-N 3.33Å; N59-I62 PolarHBondContact O-N 3.42Å; N59-I62 VanDerWaalsContact O-N 3.14Å; E60-I62 VanDerWaalsContact C-N 3.27Å; E60-I62 PolarHBondContact O-N 3.23Å; I62-S65 PolarHBondContact O-N 2.91Å; I62-R66 WeakPolarHBondContact O-CG 3.43Å; I62-R66 PolarHBondContact O-N 3.37Å; I62-I86 HydrophobicContact CD1-CG2 4.13Å; I62-I86 HydrophobicContact CG1-CG2 3.57Å; I62-Y87 HydrophobicContact CB-CE2 4.4Å; I62-Y87 HydrophobicContact CD1-CD1 4.46Å; I62-Y87 HydrophobicContact CD1-CD2 4.02Å; I62-Y87 HydrophobicContact CD1-CE1 4.21Å; I62-Y87 HydrophobicContact CD1-CE2 3.73Å; I62-Y87 HydrophobicContact CD1-CG 4.39Å; I62-Y87 HydrophobicContact CG1-CD2 4.18Å; I62-Y87 HydrophobicContact CG1-CE2 3.86Å; I62-Y87 HydrophobicContact CG2-CE2 3.68Å; I62-A186 HydrophobicContact CD1-CB 3.42Å; I62-A186 VanDerWaalsContact CD1-CB 3.42Å
63Q90.6Very high85.2Confident2 Ų256.7 Ų56.71%0.00931%0.312CS..Hα-helixtrans-67.8-47.3178.6-54.8-40.2-3700111N59 E60 S65 R66 E67 S183 M184 R324 Y326N59-Q63 WeakPolarHBondContact O-CG 3.49Å; N59-Q63 PolarHBondContact O-N 3.11Å; N59-Q63 PolarHBondContact OD1-NE2 3.4Å; E60-Q63 PolarHBondContact O-N 3.49Å; Q63-S65 PolarHBondContact O-N 3.44Å; Q63-R66 CarbonylContact O-C 3.38Å; Q63-R66 WeakPolarHBondContact O-CA 3.43Å; Q63-R66 WeakPolarHBondContact O-CB 3.27Å; Q63-R66 PolarHBondContact O-N 2.93Å; Q63-E67 WeakPolarHBondContact O-CB 3.33Å; Q63-E67 VanDerWaalsContact O-CG 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.41Å; Q63-E67 PolarHBondContact O-N 2.86Å; Q63-S183 PolarHBondContact OE1-OG 2.92Å; Q63-M184 PolarHBondContact NE2-O 3.41Å; Q63-R324 VanDerWaalsContact CB-CZ 3.48Å; Q63-Y326 HydrophobicContact CG-CE1 4.48Å
64S90.3Very high87Confident49 Ų4958 Ų5834%0.34330%0.298SS..Hα-helixtrans-56.8-38.1174.658.90000112.4E60 E61 E67 M68E60-S64 VanDerWaalsContact O-CB 3.25Å; E60-S64 WeakPolarHBondContact O-CB 3.22Å; E60-S64 PolarHBondContact O-N 2.89Å; E60-S64 PolarHBondContact O-OG 3.3Å; E61-S64 WeakPolarHBondContact CA-OG 3.31Å; E61-S64 PolarHBondContact O-OG 3.14Å; S64-E67 PolarHBondContact O-N 3.44Å; S64-M68 PolarHBondContact O-N 2.91Å; S64-M68 VanDerWaalsContact O-N 3.15Å
65S90.2Very high88.4Confident9 Ų954.2 Ų54.26%0.06328%0.281CS..Hα-helixtrans-69.2-34172.5-640000113.5E61 I62 Q63 E67 R79 I86E61-S65 WeakPolarHBondContact O-CB 3.27Å; E61-S65 PolarHBondContact O-N 3.31Å; E61-S65 VanDerWaalsContact O-N 3.16Å; E61-S65 PolarHBondContact O-OG 3.37Å; I62-S65 PolarHBondContact O-N 2.91Å; Q63-S65 PolarHBondContact O-N 3.44Å; S65-E67 VanDerWaalsContact C-N 3.32Å; S65-R79 WeakPolarHBondContact O-CG 3.47Å; S65-I86 WeakPolarHBondContact OG-CD1 3.24Å
66R89.1Confident89.4Confident7 Ų755.8 Ų55.83%0.02628%0.276CS..Hα-helixtrans-70.4-30.2173.1-74.8177.360.8645.7112.2I62 Q63 R70 R79 L83 D178 P179 L182 M184I62-R66 WeakPolarHBondContact O-CG 3.43Å; I62-R66 PolarHBondContact O-N 3.37Å; Q63-R66 CarbonylContact O-C 3.38Å; Q63-R66 WeakPolarHBondContact O-CA 3.43Å; Q63-R66 WeakPolarHBondContact O-CB 3.27Å; Q63-R66 PolarHBondContact O-N 2.93Å; R66-R70 PolarHBondContact O-NH2 3.04Å; R66-R79 PolarHBondContact O-NE 3.05Å; R66-R79 PolarHBondContact O-NH2 3.37Å; R66-L83 HydrophobicContact CG-CD1 4.43Å; R66-L83 HydrophobicContact CG-CD2 3.78Å; R66-D178 IonicContact CZ-OD1 2.77Å; R66-D178 IonicContact NH1-OD1 2.9Å; R66-D178 PolarHBondContact NH1-OD1 2.98Å; R66-D178 IonicContact NH2-OD1 3.98Å; R66-P179 PolarHBondContact NH2-O 3.4Å; R66-L182 PolarHBondContact NH2-O 3.26Å; R66-M184 VanDerWaalsContact CZ-CE 3.46Å
67E89.1Confident89.7Confident111 Ų11156.1 Ų56.152%0.51928%0.279SS..Hα-helixtrans-82.2-11.9-179.4-71.9166.5165.700113.7Q63 S64 S65 R324Q63-E67 WeakPolarHBondContact O-CB 3.33Å; Q63-E67 VanDerWaalsContact O-CG 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.41Å; Q63-E67 PolarHBondContact O-N 2.86Å; S64-E67 PolarHBondContact O-N 3.44Å; S65-E67 VanDerWaalsContact C-N 3.32Å; E67-R324 WeakPolarHBondContact OE1-CD 3.5Å; E67-R324 IonicContact OE1-CZ 3.21Å; E67-R324 IonicContact OE1-NE 3.89Å; E67-R324 PolarHBondContact OE1-NE 3.44Å; E67-R324 IonicContact OE1-NH2 3.08Å; E67-R324 IonicContact OE2-CZ 2.69Å; E67-R324 IonicContact OE2-NE 3.62Å; E67-R324 PolarHBondContact OE2-NE 2.99Å; E67-R324 IonicContact OE2-NH2 2.73Å; E67-R324 PolarHBondContact OE2-NH2 2.96Å
68M90.7Very high89.9Confident61 Ų6158 Ų5830%0.329%0.287SS..SBendtrans-52.7148171.3-80.9-163-84.700112.6S64 R70 R79 A82S64-M68 PolarHBondContact O-N 2.91Å; S64-M68 VanDerWaalsContact O-N 3.15Å; M68-R70 WeakPolarHBondContact O-CG 3.4Å; M68-R79 HydrophobicContact CB-CB 4.18Å; M68-R79 HydrophobicContact CB-CG 4.14Å; M68-R79 HydrophobicContact CE-CB 4.36Å; M68-R79 WeakPolarHBondContact O-CD 3.42Å; M68-A82 HydrophobicContact CE-CB 3.44Å; M68-A82 VanDerWaalsContact CE-CB 3.44Å
69P89.8Confident90Very high78 Ų7858.5 Ų58.551%0.50629%0.289SS..  trans-60.9159.9-179.927.9-37000112.3E75P69-E75 HydrophobicContact CB-CG 4.23Å; P69-E75 HydrophobicContact CG-CB 4.47Å; P69-E75 HydrophobicContact CG-CG 3.95Å
70R87.3Confident89.9Confident66 Ų6659.6 Ų59.625%0.24930%0.296CS..  trans-137.95.4-168.6-45.8-176.3-169.1179.73.2113.7R66 M68 E75 R76 R79 D178R66-R70 PolarHBondContact O-NH2 3.04Å; M68-R70 WeakPolarHBondContact O-CG 3.4Å; R70-E75 PolarHBondContact N-OE2 3.2Å; R70-R76 HydrophobicContact CB-CG 4.34Å; R70-R76 VanDerWaalsContact O-CG 3.23Å; R70-R76 WeakPolarHBondContact O-CG 3.38Å; R70-R76 PolarHBondContact O-NH1 3.48Å; R70-R79 VanDerWaalsContact NE-CZ 3.25Å; R70-D178 IonicContact CZ-OD1 2.61Å; R70-D178 IonicContact CZ-OD2 2.8Å; R70-D178 PolarHBondContact NH1-O 2.86Å; R70-D178 IonicContact NH1-OD1 2.75Å; R70-D178 IonicContact NH1-OD2 3.63Å; R70-D178 PolarHBondContact NH1-OD2 3.5Å; R70-D178 VanDerWaalsContact NH1-OD2 3.09Å; R70-D178 IonicContact NH2-OD1 3.46Å
71K88.7Confident89.9Confident188 Ų18863.5 Ų63.582%0.81731%0.307SS*.SBendtrans-74-50.7-169.3-62.9-176.7178.8-1790110.9E75 R76K71-E75 WeakPolarHBondContact CA-OE2 3.49Å; K71-E75 WeakPolarHBondContact CB-OE2 3.24Å; K71-E75 PolarHBondContact N-OE2 3.29Å; K71-R76 PolarHBondContact O-NH1 2.91Å
72T92.2Very high89.9Confident66 Ų6662.3 Ų62.341%0.40531%0.306SS..SBendtrans-89.2157179.868.50000111.9L74 E75 R76T72-L74 VanDerWaalsContact C-N 3.25Å; T72-L74 PolarHBondContact O-N 3.08Å; T72-E75 WeakPolarHBondContact CG2-OE1 3.19Å; T72-E75 PolarHBondContact N-OE2 3.22Å; T72-E75 VanDerWaalsContact N-OE2 3.09Å; T72-E75 PolarHBondContact O-N 3.3Å; T72-E75 WeakPolarHBondContact OG1-CB 3.28Å; T72-E75 WeakPolarHBondContact OG1-CG 3.38Å; T72-E75 PolarHBondContact OG1-N 3.47Å; T72-E75 PolarHBondContact OG1-OE1 3.02Å; T72-E75 VanDerWaalsContact OG1-OE1 3.05Å; T72-R76 PolarHBondContact O-N 3.31Å
73L89.6Confident89.9Confident72 Ų7262.5 Ų62.538%0.37731%0.307SS..Hα-helixtrans-57.7-40.8173.2175.662.3000111.3E75 R76 L77 D893 L923L73-E75 PolarHBondContact O-N 2.98Å; L73-R76 PolarHBondContact O-N 2.6Å; L73-L77 HydrophobicContact CD1-CD1 4.01Å; L73-L77 HydrophobicContact CD1-CG 4.09Å; L73-L77 HydrophobicContact CG-CD1 3.89Å; L73-L77 HydrophobicContact CG-CG 4.39Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.3Å; L73-L77 WeakPolarHBondContact O-CG 3.29Å; L73-L77 PolarHBondContact O-N 3.38Å; L73-D893 HydrophobicContact CD1-CB 3.69Å; L73-D893 VanDerWaalsContact CD1-CG 3.45Å; L73-D893 WeakPolarHBondContact CD1-OD1 3.48Å; L73-L923 HydrophobicContact CD1-CD2 4.43Å
74L91.2Very high89.7Confident110 Ų11063 Ų6358%0.57631%0.311SS*.Hα-helixtrans-62.1-44.7179-173.563.7000111.8T72 L77 M78T72-L74 VanDerWaalsContact C-N 3.25Å; T72-L74 PolarHBondContact O-N 3.08Å; L74-L77 PolarHBondContact O-N 3.41Å; L74-M78 HydrophobicContact CD1-CE 4Å; L74-M78 HydrophobicContact CD2-CE 4.18Å; L74-M78 HydrophobicContact CG-CE 3.97Å; L74-M78 HydrophobicContact CG-SD 4.34Å; L74-M78 WeakPolarHBondContact O-CB 2.98Å; L74-M78 WeakPolarHBondContact O-CG 3.3Å; L74-M78 PolarHBondContact O-N 2.95Å
75E91.7Very high89.5Confident54 Ų5465.5 Ų65.525%0.25232%0.316SS..Hα-helixtrans-59.2-48.6174.3-73.9159.6-148.400111.7P69 R70 K71 T72 L73 L77 M78 R79P69-E75 HydrophobicContact CB-CG 4.23Å; P69-E75 HydrophobicContact CG-CB 4.47Å; P69-E75 HydrophobicContact CG-CG 3.95Å; R70-E75 PolarHBondContact N-OE2 3.2Å; K71-E75 WeakPolarHBondContact CA-OE2 3.49Å; K71-E75 WeakPolarHBondContact CB-OE2 3.24Å; K71-E75 PolarHBondContact N-OE2 3.29Å; T72-E75 WeakPolarHBondContact CG2-OE1 3.19Å; T72-E75 PolarHBondContact N-OE2 3.22Å; T72-E75 VanDerWaalsContact N-OE2 3.09Å; T72-E75 PolarHBondContact O-N 3.3Å; T72-E75 WeakPolarHBondContact OG1-CB 3.28Å; T72-E75 WeakPolarHBondContact OG1-CG 3.38Å; T72-E75 PolarHBondContact OG1-N 3.47Å; T72-E75 PolarHBondContact OG1-OE1 3.02Å; T72-E75 VanDerWaalsContact OG1-OE1 3.05Å; L73-E75 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 2.73Å; E75-M78 PolarHBondContact O-N 2.74Å; E75-R79 WeakPolarHBondContact O-CB 3.48Å; E75-R79 PolarHBondContact O-N 3.24Å
76R89.9Confident89.4Confident81 Ų8165.9 Ų65.931%0.30632%0.317SS..Hα-helixtrans-60.6-41.4177.7-69.2-164.9-59.6-85.56.7112.5R70 K71 T72 L73 T80 D893R70-R76 HydrophobicContact CB-CG 4.34Å; R70-R76 VanDerWaalsContact O-CG 3.23Å; R70-R76 WeakPolarHBondContact O-CG 3.38Å; R70-R76 PolarHBondContact O-NH1 3.48Å; K71-R76 PolarHBondContact O-NH1 2.91Å; T72-R76 PolarHBondContact O-N 3.31Å; L73-R76 PolarHBondContact O-N 2.6Å; R76-T80 WeakPolarHBondContact O-CB 3.44Å; R76-T80 PolarHBondContact O-N 3.49Å; R76-T80 PolarHBondContact O-OG1 3.31Å; R76-D893 IonicContact CZ-OD1 3.69Å; R76-D893 VanDerWaalsContact CZ-OD1 3.25Å; R76-D893 IonicContact NE-OD1 3.79Å; R76-D893 PolarHBondContact NE-OD1 3.38Å; R76-D893 IonicContact NE-OD2 3.86Å; R76-D893 PolarHBondContact NE-OD2 3.22Å; R76-D893 IonicContact NH2-OD1 3.98Å; R76-D893 PolarHBondContact NH2-OD1 3.07Å
77L89.3Confident89.4Confident23 Ų2365.8 Ų65.812%0.1232%0.316CS..Hα-helixtrans-67.1-47177.1-71.8171.6000111.9L73 L74 E75 R79 T80 R81 L923 V927L73-L77 HydrophobicContact CD1-CD1 4.01Å; L73-L77 HydrophobicContact CD1-CG 4.09Å; L73-L77 HydrophobicContact CG-CD1 3.89Å; L73-L77 HydrophobicContact CG-CG 4.39Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.3Å; L73-L77 WeakPolarHBondContact O-CG 3.29Å; L73-L77 PolarHBondContact O-N 3.38Å; L74-L77 PolarHBondContact O-N 3.41Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 2.73Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.48Å; L77-T80 PolarHBondContact O-N 2.94Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 2.71Å; L77-L923 HydrophobicContact CD1-CD2 3.69Å; L77-L923 HydrophobicContact CD2-CD2 3.92Å; L77-L923 HydrophobicContact CG-CD2 4.37Å; L77-V927 HydrophobicContact CD2-CG2 3.86Å
78M89.9Confident89.3Confident113 Ų11361.1 Ų61.156%0.55730%0.298SS*.Hα-helixtrans-58.5-46.1175.4-75.3-177173.500111.3L74 E75 R81 A82L74-M78 HydrophobicContact CD1-CE 4Å; L74-M78 HydrophobicContact CD2-CE 4.18Å; L74-M78 HydrophobicContact CG-CE 3.97Å; L74-M78 HydrophobicContact CG-SD 4.34Å; L74-M78 WeakPolarHBondContact O-CB 2.98Å; L74-M78 WeakPolarHBondContact O-CG 3.3Å; L74-M78 PolarHBondContact O-N 2.95Å; E75-M78 PolarHBondContact O-N 2.74Å; M78-R81 PolarHBondContact O-N 3.25Å; M78-A82 WeakPolarHBondContact O-CB 3.42Å; M78-A82 PolarHBondContact O-N 2.96Å
79R91.1Very high89.1Confident13 Ų1360.1 Ų60.15%0.04929%0.294CS..Hα-helixtrans-59.4-52176.8176.2168.1180-87.7-4.9112.5S65 R66 M68 R70 E75 L77 R81 A82 L83 D178S65-R79 WeakPolarHBondContact O-CG 3.47Å; R66-R79 PolarHBondContact O-NE 3.05Å; R66-R79 PolarHBondContact O-NH2 3.37Å; M68-R79 HydrophobicContact CB-CB 4.18Å; M68-R79 HydrophobicContact CB-CG 4.14Å; M68-R79 HydrophobicContact CE-CB 4.36Å; M68-R79 WeakPolarHBondContact O-CD 3.42Å; R70-R79 VanDerWaalsContact NE-CZ 3.25Å; E75-R79 WeakPolarHBondContact O-CB 3.48Å; E75-R79 PolarHBondContact O-N 3.24Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.48Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.35Å; R79-A82 PolarHBondContact O-N 2.96Å; R79-L83 HydrophobicContact CG-CD1 4.14Å; R79-L83 WeakPolarHBondContact O-CG 3.34Å; R79-L83 PolarHBondContact O-N 3.14Å; R79-D178 IonicContact CZ-OD1 3.29Å; R79-D178 IonicContact CZ-OD2 2.8Å; R79-D178 VanDerWaalsContact CZ-OD2 3.27Å; R79-D178 IonicContact NH1-OD1 2.87Å; R79-D178 IonicContact NH1-OD2 3.64Å; R79-D178 PolarHBondContact NH1-OD2 2.83Å; R79-D178 VanDerWaalsContact NH2-CG 3.31Å; R79-D178 IonicContact NH2-OD1 3.55Å; R79-D178 PolarHBondContact NH2-OD1 3.34Å; R79-D178 IonicContact NH2-OD2 3.57Å; R79-D178 PolarHBondContact NH2-OD2 3.45Å
80T88.3Confident89.1Confident25 Ų2556.4 Ų56.415%0.15327%0.27CS..Hα-helixtrans-67-37-177.8-47.60000111.2R76 L77 S84 V927R76-T80 WeakPolarHBondContact O-CB 3.44Å; R76-T80 PolarHBondContact O-N 3.49Å; R76-T80 PolarHBondContact O-OG1 3.31Å; L77-T80 PolarHBondContact O-N 2.94Å; T80-S84 VanDerWaalsContact O-CB 3.23Å; T80-S84 WeakPolarHBondContact O-CB 3.43Å; T80-S84 PolarHBondContact O-N 3.24Å; T80-V927 HydrophobicContact CG2-CG1 3.59Å; T80-V927 HydrophobicContact CG2-CG2 4.31Å
81R89.8Confident89.3Confident154 Ų15454.1 Ų54.158%0.58126%0.263SS*.Hα-helixtrans-62.5-44.9173.2-178.1-175-179171.2-1.6112.3L77 M78 R79 S84 K85 N926L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 2.71Å; M78-R81 PolarHBondContact O-N 3.25Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.35Å; R81-S84 PolarHBondContact O-N 3.47Å; R81-K85 PolarHBondContact O-N 3.2Å; R81-N926 WeakPolarHBondContact CD-O 3.45Å; R81-N926 VanDerWaalsContact CG-O 3.31Å; R81-N926 WeakPolarHBondContact CG-O 3.47Å
82A89.5Confident89.3Confident26 Ų2648.3 Ų48.322%0.21524%0.244CC..Hα-helixtrans-62.8-48.9177.900000111.3M68 M78 R79 S84 K85 I86M68-A82 HydrophobicContact CE-CB 3.44Å; M68-A82 VanDerWaalsContact CE-CB 3.44Å; M78-A82 WeakPolarHBondContact O-CB 3.42Å; M78-A82 PolarHBondContact O-N 2.96Å; R79-A82 PolarHBondContact O-N 2.96Å; A82-S84 PolarHBondContact O-N 2.95Å; A82-K85 PolarHBondContact O-N 3.11Å; A82-K85 VanDerWaalsContact O-N 3.17Å; A82-I86 WeakPolarHBondContact O-CD1 3.34Å; A82-I86 WeakPolarHBondContact O-CG1 3.15Å; A82-I86 PolarHBondContact O-N 2.69Å
83L89.5Confident89.2Confident4 Ų445.2 Ų45.22%0.02123%0.225CC..Hα-helixtrans-56.9-49.2175.2-69.7170.1000111.4R66 R79 K85 I86 Y87 F889R66-L83 HydrophobicContact CG-CD1 4.43Å; R66-L83 HydrophobicContact CG-CD2 3.78Å; R79-L83 HydrophobicContact CG-CD1 4.14Å; R79-L83 WeakPolarHBondContact O-CG 3.34Å; R79-L83 PolarHBondContact O-N 3.14Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 2.84Å; L83-I86 PolarHBondContact O-N 3.41Å; L83-Y87 HydrophobicContact CD2-CE2 4.39Å; L83-Y87 WeakPolarHBondContact O-CB 3.24Å; L83-Y87 WeakPolarHBondContact O-CD2 3.39Å; L83-Y87 PolarHBondContact O-N 2.94Å; L83-F889 HydrophobicContact CB-CD1 4.43Å; L83-F889 HydrophobicContact CB-CE1 4.03Å
84S86.7Confident89.3Confident14 Ų1441.8 Ų41.810%0.09821%0.207CC..Hα-helixtrans-57.1-39.9176.9-177.60000112.4T80 R81 A82 G88 V927T80-S84 VanDerWaalsContact O-CB 3.23Å; T80-S84 WeakPolarHBondContact O-CB 3.43Å; T80-S84 PolarHBondContact O-N 3.24Å; R81-S84 PolarHBondContact O-N 3.47Å; A82-S84 PolarHBondContact O-N 2.95Å; S84-G88 PolarHBondContact O-N 3.43Å; S84-V927 PolarHBondContact OG-O 3.41Å
85K85.9Confident89.4Confident101 Ų10137 Ų3744%0.43918%0.182SC..Hα-helixtrans-68.3-55.7176-172.8-176.4177.4-174.80111.7L45 R81 A82 L83 Y87 G88 D89L45-K85 PolarHBondContact O-NZ 3.28Å; R81-K85 PolarHBondContact O-N 3.2Å; A82-K85 PolarHBondContact O-N 3.11Å; A82-K85 VanDerWaalsContact O-N 3.17Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 2.84Å; K85-Y87 VanDerWaalsContact C-N 3.3Å; K85-Y87 PolarHBondContact O-N 3.39Å; K85-G88 WeakPolarHBondContact O-CA 3.49Å; K85-G88 PolarHBondContact O-N 2.99Å; K85-D89 PolarHBondContact O-N 3.23Å
86I87.8Confident89.4Confident16 Ų1640 Ų408%0.08219%0.191CC..Hα-helixtrans-62-39.3-172.9-64.2158.2000111E61 I62 S65 A82 L83 D89 F90E61-I86 HydrophobicContact CB-CD1 4.26Å; E61-I86 HydrophobicContact CB-CG2 4.06Å; I62-I86 HydrophobicContact CD1-CG2 4.13Å; I62-I86 HydrophobicContact CG1-CG2 3.57Å; S65-I86 WeakPolarHBondContact OG-CD1 3.24Å; A82-I86 WeakPolarHBondContact O-CD1 3.34Å; A82-I86 WeakPolarHBondContact O-CG1 3.15Å; A82-I86 PolarHBondContact O-N 2.69Å; L83-I86 PolarHBondContact O-N 3.41Å; I86-D89 PolarHBondContact O-N 3.06Å; I86-F90 WeakPolarHBondContact O-CB 3.45Å; I86-F90 PolarHBondContact O-N 3.48Å
87Y89.4Confident89.3Confident5 Ų536.1 Ų36.12%0.0218%0.176CC..Hα-helixtrans-69.7-31.5173.5-86.5-93.7000113.4I62 L83 K85 F90 V91 F175 A186 L887 F889I62-Y87 HydrophobicContact CB-CE2 4.4Å; I62-Y87 HydrophobicContact CD1-CD1 4.46Å; I62-Y87 HydrophobicContact CD1-CD2 4.02Å; I62-Y87 HydrophobicContact CD1-CE1 4.21Å; I62-Y87 HydrophobicContact CD1-CE2 3.73Å; I62-Y87 HydrophobicContact CD1-CG 4.39Å; I62-Y87 HydrophobicContact CG1-CD2 4.18Å; I62-Y87 HydrophobicContact CG1-CE2 3.86Å; I62-Y87 HydrophobicContact CG2-CE2 3.68Å; L83-Y87 HydrophobicContact CD2-CE2 4.39Å; L83-Y87 WeakPolarHBondContact O-CB 3.24Å; L83-Y87 WeakPolarHBondContact O-CD2 3.39Å; L83-Y87 PolarHBondContact O-N 2.94Å; K85-Y87 VanDerWaalsContact C-N 3.3Å; K85-Y87 PolarHBondContact O-N 3.39Å; Y87-F90 PolarHBondContact O-N 3.39Å; Y87-V91 WeakPolarHBondContact O-CB 3.38Å; Y87-V91 WeakPolarHBondContact O-CG2 3.46Å; Y87-V91 PolarHBondContact O-N 3.22Å; Y87-F175 HydrophobicContact CE2-CE2 4.39Å; Y87-A186 HydrophobicContact CD1-CB 4.36Å; Y87-A186 HydrophobicContact CE1-CB 3.75Å; Y87-L887 HydrophobicContact CD1-CD1 4.29Å; Y87-L887 HydrophobicContact CE1-CD1 3.56Å; Y87-L887 HydrophobicContact CE1-CG 4.47Å; Y87-F889 VanDerWaalsContact CB-CZ 3.41Å; Y87-F889 AromaticContact CD1-CZ 3.98Å; Y87-F889 HydrophobicContact CD1-CZ 3.98Å; Y87-F889 AromaticContact CD2-CE1 3.95Å; Y87-F889 HydrophobicContact CD2-CE1 3.95Å; Y87-F889 AromaticContact CD2-CZ 3.52Å; Y87-F889 HydrophobicContact CD2-CZ 3.52Å; Y87-F889 HydrophobicContact CE2-CE1 4.42Å; Y87-F889 HydrophobicContact CE2-CZ 4.17Å; Y87-F889 HydrophobicContact CG-CE1 4.28Å; Y87-F889 HydrophobicContact CG-CE2 4.14Å; Y87-F889 AromaticContact CG-CZ 3.39Å; Y87-F889 HydrophobicContact CG-CZ 3.39Å
88G87.3Confident89.4Confident13 Ų1335 Ų3513%0.13417%0.171CC..Hα-helixtrans-63.1-43.2171.400000112.4S84 K85 T92S84-G88 PolarHBondContact O-N 3.43Å; K85-G88 WeakPolarHBondContact O-CA 3.49Å; K85-G88 PolarHBondContact O-N 2.99Å; G88-T92 PolarHBondContact O-N 3Å; G88-T92 VanDerWaalsContact O-N 3.11Å; G88-T92 PolarHBondContact O-OG1 3.09Å
89D86.4Confident89.4Confident41 Ų4131.7 Ų31.722%0.21916%0.155CC..Hα-helixtrans-63.8-49.3173.6-62.2-9.8000110.9R56 W58 K85 I86 V91 T92 A93R56-D89 IonicContact CZ-OD2 2.64Å; R56-D89 VanDerWaalsContact NH1-CB 3.35Å; R56-D89 IonicContact NH1-OD2 3.76Å; R56-D89 PolarHBondContact NH1-OD2 3.46Å; R56-D89 IonicContact NH2-OD2 3.33Å; R56-D89 PolarHBondContact NH2-OD2 3.34Å; W58-D89 HydrophobicContact CH2-CB 3.96Å; W58-D89 HydrophobicContact CZ3-CB 3.76Å; K85-D89 PolarHBondContact O-N 3.23Å; I86-D89 PolarHBondContact O-N 3.06Å; D89-V91 VanDerWaalsContact C-N 3.34Å; D89-V91 PolarHBondContact O-N 3.32Å; D89-T92 WeakPolarHBondContact O-CA 3.41Å; D89-T92 WeakPolarHBondContact O-CB 3.46Å; D89-T92 PolarHBondContact O-N 3.14Å; D89-A93 PolarHBondContact O-N 3.45Å
90F90.5Very high89.3Confident0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-56.7-45.9178.6171.6-97.9000111.6W58 I86 Y87 T92 A93 A94 I139 A186 T188W58-F90 HydrophobicContact CB-CD2 4.05Å; W58-F90 HydrophobicContact CB-CE2 4.49Å; W58-F90 HydrophobicContact CD2-CB 4.29Å; W58-F90 AromaticContact CD2-CD2 3.81Å; W58-F90 HydrophobicContact CD2-CD2 3.81Å; W58-F90 HydrophobicContact CE3-CB 3.71Å; W58-F90 HydrophobicContact CE3-CD2 4.07Å; W58-F90 HydrophobicContact CE3-CG 4.4Å; W58-F90 AromaticContact CG-CD2 3.8Å; W58-F90 HydrophobicContact CG-CD2 3.8Å; W58-F90 HydrophobicContact CG-CE2 4.4Å; W58-F90 HydrophobicContact CH2-CB 4.48Å; W58-F90 VanDerWaalsContact CZ3-CA 3.43Å; W58-F90 HydrophobicContact CZ3-CB 3.81Å; W58-F90 VanDerWaalsContact CZ3-N 3.28Å; I86-F90 WeakPolarHBondContact O-CB 3.45Å; I86-F90 PolarHBondContact O-N 3.48Å; Y87-F90 PolarHBondContact O-N 3.39Å; F90-T92 VanDerWaalsContact C-N 3.3Å; F90-T92 PolarHBondContact O-N 2.86Å; F90-A93 PolarHBondContact O-N 3.15Å; F90-A94 VanDerWaalsContact O-CB 3.25Å; F90-A94 WeakPolarHBondContact O-CB 3.33Å; F90-A94 PolarHBondContact O-N 3.43Å; F90-I139 HydrophobicContact CD2-CD1 3.78Å; F90-I139 HydrophobicContact CD2-CG1 4.13Å; F90-I139 HydrophobicContact CE2-CB 4.46Å; F90-I139 HydrophobicContact CE2-CD1 3.74Å; F90-I139 HydrophobicContact CE2-CG1 3.75Å; F90-I139 HydrophobicContact CE2-CG2 4.03Å; F90-I139 HydrophobicContact CZ-CG2 4.19Å; F90-A186 HydrophobicContact CD1-CB 3.8Å; F90-A186 HydrophobicContact CD2-CB 4.01Å; F90-A186 HydrophobicContact CE1-CB 3.59Å; F90-A186 HydrophobicContact CE2-CB 3.8Å; F90-A186 HydrophobicContact CG-CB 4.02Å; F90-A186 HydrophobicContact CZ-CB 3.6Å; F90-A186 WeakPolarHBondContact CZ-O 3.43Å; F90-T188 HydrophobicContact CD1-CG2 4.38Å; F90-T188 HydrophobicContact CE1-CG2 3.76Å
91V91.3Very high89.1Confident17 Ų1732 Ų3210%0.10316%0.157CC..Hα-helixtrans-62.5-37.8176.5167.10000111.5Y87 D89 T95 T188 V884 R886Y87-V91 WeakPolarHBondContact O-CB 3.38Å; Y87-V91 WeakPolarHBondContact O-CG2 3.46Å; Y87-V91 PolarHBondContact O-N 3.22Å; D89-V91 VanDerWaalsContact C-N 3.34Å; D89-V91 PolarHBondContact O-N 3.32Å; V91-T95 WeakPolarHBondContact O-CB 3.49Å; V91-T95 PolarHBondContact O-N 3.4Å; V91-T95 PolarHBondContact O-OG1 3.27Å; V91-T188 HydrophobicContact CG2-CG2 4.42Å; V91-V884 HydrophobicContact CG1-CG1 3.69Å; V91-R886 HydrophobicContact CG2-CB 3.85Å
92T88.3Confident88.9Confident67 Ų6725.4 Ų25.441%0.41113%0.132SC..Hα-helixtrans-66.6-44.4176.9-58.20000111.2G88 D89 F90 T95 R96G88-T92 PolarHBondContact O-N 3Å; G88-T92 VanDerWaalsContact O-N 3.11Å; G88-T92 PolarHBondContact O-OG1 3.09Å; D89-T92 WeakPolarHBondContact O-CA 3.41Å; D89-T92 WeakPolarHBondContact O-CB 3.46Å; D89-T92 PolarHBondContact O-N 3.14Å; F90-T92 VanDerWaalsContact C-N 3.3Å; F90-T92 PolarHBondContact O-N 2.86Å; T92-T95 PolarHBondContact O-N 2.85Å; T92-R96 WeakPolarHBondContact O-CG 3.48Å; T92-R96 PolarHBondContact O-N 2.83Å; T92-R96 VanDerWaalsContact O-N 3.15Å
93A89.8Confident88.6Confident1 Ų126.7 Ų26.71%0.00814%0.136CC..Hα-helixtrans-63.7-49.4174.400000111.8W58 D89 F90 T95 R96 G97 W136 I139W58-A93 HydrophobicContact CH2-CB 3.9Å; W58-A93 HydrophobicContact CZ2-CB 3.45Å; W58-A93 VanDerWaalsContact CZ2-CB 3.45Å; D89-A93 PolarHBondContact O-N 3.45Å; F90-A93 PolarHBondContact O-N 3.15Å; A93-T95 VanDerWaalsContact C-N 3.27Å; A93-T95 PolarHBondContact O-N 3.23Å; A93-R96 WeakPolarHBondContact O-CB 3.06Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-R96 VanDerWaalsContact O-N 3.13Å; A93-G97 PolarHBondContact O-N 2.78Å; A93-W136 VanDerWaalsContact O-CZ3 3.29Å; A93-W136 WeakPolarHBondContact O-CZ3 3.33Å; A93-I139 HydrophobicContact CB-CD1 3.71Å
94A92.5Very high88.2Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-55.9-41.3176.500000112F90 G97 A98 I139 F141 T188 C199F90-A94 VanDerWaalsContact O-CB 3.25Å; F90-A94 WeakPolarHBondContact O-CB 3.33Å; F90-A94 PolarHBondContact O-N 3.43Å; A94-G97 PolarHBondContact O-N 3.37Å; A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 3.11Å; A94-I139 HydrophobicContact CB-CD1 4.02Å; A94-I139 HydrophobicContact CB-CG2 4.41Å; A94-F141 WeakPolarHBondContact O-CE1 3.12Å; A94-T188 HydrophobicContact CB-CG2 3.48Å; A94-T188 VanDerWaalsContact CB-CG2 3.48Å; A94-C199 HydrophobicContact CB-CB 3.72Å
95T92.1Very high87.9Confident8 Ų836.4 Ų36.45%0.04919%0.186CC..Hα-helixtrans-64.3-43.6177.3-56.70000111.8V91 T92 A93 I99 P882 V884V91-T95 WeakPolarHBondContact O-CB 3.49Å; V91-T95 PolarHBondContact O-N 3.4Å; V91-T95 PolarHBondContact O-OG1 3.27Å; T92-T95 PolarHBondContact O-N 2.85Å; A93-T95 VanDerWaalsContact C-N 3.27Å; A93-T95 PolarHBondContact O-N 3.23Å; T95-I99 HydrophobicContact CG2-CD1 4.46Å; T95-I99 WeakPolarHBondContact O-CG1 3.35Å; T95-I99 PolarHBondContact O-N 3.29Å; T95-P882 HydrophobicContact CG2-CB 3.99Å; T95-P882 HydrophobicContact CG2-CG 3.44Å; T95-P882 VanDerWaalsContact CG2-CG 3.44Å; T95-V884 HydrophobicContact CG2-CG2 4.07Å; T95-V884 WeakPolarHBondContact OG1-CG2 3.36Å
96R91.2Very high87.6Confident117 Ų11732.4 Ų32.444%0.44217%0.17SC..Hα-helixtrans-61.9-44.7173.7-67.7170.7-177.51661.1111.3E48 T92 A93 I99 N100 W136E48-R96 IonicContact OE1-NH1 3.89Å; E48-R96 PolarHBondContact OE1-NH1 3.28Å; E48-R96 IonicContact OE2-CZ 3.65Å; E48-R96 IonicContact OE2-NH1 3.06Å; E48-R96 PolarHBondContact OE2-NH1 2.82Å; E48-R96 IonicContact OE2-NH2 3.75Å; T92-R96 WeakPolarHBondContact O-CG 3.48Å; T92-R96 PolarHBondContact O-N 2.83Å; T92-R96 VanDerWaalsContact O-N 3.15Å; A93-R96 WeakPolarHBondContact O-CB 3.06Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-R96 VanDerWaalsContact O-N 3.13Å; R96-I99 PolarHBondContact O-N 3.46Å; R96-N100 PolarHBondContact O-N 3.06Å; R96-N100 VanDerWaalsContact O-N 3.14Å; R96-N100 PolarHBondContact O-ND2 3.13Å; R96-W136 HydrophobicContact CB-CH2 3.92Å; R96-W136 HydrophobicContact CB-CZ3 4.21Å
97G89.4Confident87.2Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-61.8-48.1178.300000112.8A93 A94 I99 N100 V101 W136A93-G97 PolarHBondContact O-N 2.78Å; A94-G97 PolarHBondContact O-N 3.37Å; G97-I99 PolarHBondContact O-N 2.93Å; G97-N100 PolarHBondContact O-N 3.43Å; G97-N100 VanDerWaalsContact O-N 3.07Å; G97-V101 WeakPolarHBondContact O-CG2 3.23Å; G97-V101 PolarHBondContact O-N 3.33Å; G97-W136 VanDerWaalsContact CA-CE3 3.45Å
98A91.2Very high86.6Confident0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-60.6-39.7178.600000113A94 I102 F141 V190 I197A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 3.11Å; A98-I102 WeakPolarHBondContact O-CG1 3.45Å; A98-I102 PolarHBondContact O-N 3.14Å; A98-I102 VanDerWaalsContact O-N 3.11Å; A98-F141 HydrophobicContact CB-CD1 4.42Å; A98-F141 HydrophobicContact CB-CE1 4.31Å; A98-V190 HydrophobicContact CB-CB 3.88Å; A98-V190 HydrophobicContact CB-CG1 3.84Å; A98-V190 HydrophobicContact CB-CG2 4.11Å; A98-I197 HydrophobicContact CB-CD1 4.24Å
99I89.6Confident86.1Confident44 Ų4439.2 Ų39.223%0.22621%0.209CC..Hα-helixtrans-61.3-46172.4-67.6164.4000110.6T95 R96 G97 I102 N103 Y192 P882T95-I99 HydrophobicContact CG2-CD1 4.46Å; T95-I99 WeakPolarHBondContact O-CG1 3.35Å; T95-I99 PolarHBondContact O-N 3.29Å; R96-I99 PolarHBondContact O-N 3.46Å; G97-I99 PolarHBondContact O-N 2.93Å; I99-I102 PolarHBondContact O-N 3.38Å; I99-N103 WeakPolarHBondContact CG2-ND2 3.29Å; I99-N103 WeakPolarHBondContact O-CB 3.26Å; I99-N103 PolarHBondContact O-N 3.29Å; I99-N103 PolarHBondContact O-ND2 3.05Å; I99-Y192 HydrophobicContact CB-CE1 4.38Å; I99-Y192 HydrophobicContact CG1-CD1 4.23Å; I99-Y192 HydrophobicContact CG1-CE1 4.22Å; I99-Y192 HydrophobicContact CG1-CG 4.48Å; I99-Y192 HydrophobicContact CG2-CE1 4.05Å; I99-P882 HydrophobicContact CD1-CG 4.03Å; I99-P882 HydrophobicContact CG1-CG 4.43Å
100N87.8Confident85.3Confident45 Ų4537.3 Ų37.324%0.24120%0.199CC..Hα-helixtrans-66.3-38.7-179.3-76.5-33.7000112.4R96 G97 N103 N104 N105 V106R96-N100 PolarHBondContact O-N 3.06Å; R96-N100 VanDerWaalsContact O-N 3.14Å; R96-N100 PolarHBondContact O-ND2 3.13Å; G97-N100 PolarHBondContact O-N 3.43Å; G97-N100 VanDerWaalsContact O-N 3.07Å; N100-N103 PolarHBondContact O-N 3.27Å; N100-N104 PolarHBondContact O-N 3.12Å; N100-N105 HydrophobicContact CB-CB 4.06Å; N100-N105 WeakPolarHBondContact O-CB 3.39Å; N100-N105 PolarHBondContact O-N 3.22Å; N100-N105 PolarHBondContact OD1-ND2 3.34Å; N100-V106 HydrophobicContact CB-CG2 3.72Å
101V85.9Confident84Confident0 Ų041.2 Ų41.20%022%0.224CC..Hα-helixtrans-58.8-50.6173.1166.80000110.8G97 N103 N104 V106 F129 F134 F141 I197G97-V101 WeakPolarHBondContact O-CG2 3.23Å; G97-V101 PolarHBondContact O-N 3.33Å; V101-N103 VanDerWaalsContact C-N 3.33Å; V101-N103 PolarHBondContact O-N 3.11Å; V101-N104 PolarHBondContact O-N 3.11Å; V101-V106 HydrophobicContact CG2-CB 4Å; V101-V106 HydrophobicContact CG2-CG1 4.36Å; V101-V106 HydrophobicContact CG2-CG2 4.02Å; V101-F129 HydrophobicContact CG1-CZ 4.44Å; V101-F134 HydrophobicContact CB-CG 4.47Å; V101-F134 HydrophobicContact CG1-CD1 4.12Å; V101-F134 HydrophobicContact CG1-CD2 3.51Å; V101-F134 HydrophobicContact CG1-CE1 4.13Å; V101-F134 HydrophobicContact CG1-CE2 3.53Å; V101-F134 HydrophobicContact CG1-CG 3.83Å; V101-F134 HydrophobicContact CG1-CZ 3.85Å; V101-F134 HydrophobicContact CG2-CB 3.77Å; V101-F134 HydrophobicContact CG2-CD1 4.16Å; V101-F134 HydrophobicContact CG2-CD2 4.26Å; V101-F134 HydrophobicContact CG2-CG 3.83Å; V101-F141 HydrophobicContact CG2-CB 4.37Å; V101-F141 HydrophobicContact CG2-CD2 4.42Å; V101-F141 HydrophobicContact CG2-CG 4.26Å; V101-I197 HydrophobicContact CG1-CD1 4.15Å
102I85.3Confident82.4Confident14 Ų1444.7 Ų44.77%0.07225%0.249CC..Hα-helixtrans-67.6-32.8-178.2-70.8163.9000112.4A98 I99 N104 Y192 K193 Y195 I197A98-I102 WeakPolarHBondContact O-CG1 3.45Å; A98-I102 PolarHBondContact O-N 3.14Å; A98-I102 VanDerWaalsContact O-N 3.11Å; I99-I102 PolarHBondContact O-N 3.38Å; I102-N104 PolarHBondContact O-N 3.11Å; I102-Y192 HydrophobicContact CB-CD1 4.01Å; I102-Y192 HydrophobicContact CB-CE1 4.46Å; I102-Y192 HydrophobicContact CD1-CD1 3.69Å; I102-Y192 HydrophobicContact CD1-CG 4.19Å; I102-Y192 HydrophobicContact CG1-CD1 4.46Å; I102-Y192 HydrophobicContact CG2-CD1 3.86Å; I102-Y192 HydrophobicContact CG2-CE1 4.15Å; I102-K193 HydrophobicContact CG2-CB 4.05Å; I102-K193 HydrophobicContact CG2-CD 3.94Å; I102-K193 HydrophobicContact CG2-CG 4.45Å; I102-Y195 HydrophobicContact CG1-CD2 4.37Å; I102-Y195 HydrophobicContact CG1-CG 4.45Å; I102-Y195 HydrophobicContact CG2-CD2 4.08Å; I102-I197 HydrophobicContact CD1-CD1 3.48Å; I102-I197 VanDerWaalsContact CD1-CD1 3.48Å; I102-I197 HydrophobicContact CD1-CG1 4.15Å; I102-I197 HydrophobicContact CG1-CD1 3.57Å
103N82.6Confident80.8Confident54 Ų5443.6 Ų43.629%0.28924%0.24SC..THydrogen-bonded Turntrans-80.78.6174.9-68.1-28.5000113.2I99 N100 V101 N105 K193I99-N103 WeakPolarHBondContact CG2-ND2 3.29Å; I99-N103 WeakPolarHBondContact O-CB 3.26Å; I99-N103 PolarHBondContact O-N 3.29Å; I99-N103 PolarHBondContact O-ND2 3.05Å; N100-N103 PolarHBondContact O-N 3.27Å; V101-N103 VanDerWaalsContact C-N 3.33Å; V101-N103 PolarHBondContact O-N 3.11Å; N103-N105 PolarHBondContact O-N 3.11Å; N103-K193 PolarHBondContact OD1-NZ 3.1Å
104N80.6Confident78.8Confident109 Ų10951.5 Ų51.558%0.58328%0.276SS*.THydrogen-bonded Turntrans59.924.7-177.5-64.3-57.2000115.1N100 V101 I102 V106 F129N100-N104 PolarHBondContact O-N 3.12Å; V101-N104 PolarHBondContact O-N 3.11Å; I102-N104 PolarHBondContact O-N 3.11Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-F129 WeakPolarHBondContact OD1-CE2 3.4Å
105N80.7Confident76.4Confident112 Ų11254.4 Ų54.460%0.59930%0.295SS*.  trans-84.1-5.9176.4-65-21.2000113.3N100 N103N100-N105 HydrophobicContact CB-CB 4.06Å; N100-N105 WeakPolarHBondContact O-CB 3.39Å; N100-N105 PolarHBondContact O-N 3.22Å; N100-N105 PolarHBondContact OD1-ND2 3.34Å; N103-N105 PolarHBondContact O-N 3.11Å
106V80.7Confident73.8Confident17 Ų1762 Ų6210%0.10333%0.328CS..SBendtrans-120129.2-179.8-174.30000109N100 V101 N104 F134 W136N100-V106 HydrophobicContact CB-CG2 3.72Å; V101-V106 HydrophobicContact CG2-CB 4Å; V101-V106 HydrophobicContact CG2-CG1 4.36Å; V101-V106 HydrophobicContact CG2-CG2 4.02Å; N104-V106 VanDerWaalsContact C-N 3.34Å; V106-F134 HydrophobicContact CB-CD1 4.25Å; V106-F134 HydrophobicContact CG1-CB 4.18Å; V106-F134 HydrophobicContact CG1-CD1 4.15Å; V106-F134 WeakPolarHBondContact O-CD1 3.42Å; V106-F134 WeakPolarHBondContact O-CE1 3.47Å; V106-W136 HydrophobicContact CG1-CB 4.23Å; V106-W136 HydrophobicContact CG2-CB 4.46Å; V106-W136 HydrophobicContact CG2-CG 4.32Å
107V77.9Confident70.9Confident125 Ų12564 Ų6476%0.75835%0.346SS*.  trans-74.9137.1175.4-175.50000109.5
108S78.3Confident68.1Low11 Ų1169.2 Ų69.28%0.07738%0.377CS..BIsolated β-bridgetrans-72.4144.917652.30000112.1N110 P111 R132 M133S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 2.98Å; S108-P111 WeakPolarHBondContact O-CD 3.39Å; S108-R132 WeakPolarHBondContact OG-CD 3.46Å; S108-M133 CarbonylContact C-O 3.58Å; S108-M133 WeakPolarHBondContact CA-O 3.33Å
109I75.6Confident65Low42 Ų4274.8 Ų74.822%0.21541%0.412CS..SBendtrans-68.8-30.3178.8-44.6170000111.4P111 M133 L135 F140 F210 V213I109-P111 WeakPolarHBondContact O-CD 3.32Å; I109-M133 WeakPolarHBondContact CG1-O 3.4Å; I109-M133 PolarHBondContact N-O 3.45Å; I109-L135 HydrophobicContact CD1-CB 3.67Å; I109-L135 HydrophobicContact CG1-CB 3.97Å; I109-F140 HydrophobicContact CD1-CD2 4.18Å; I109-F140 HydrophobicContact CD1-CE2 3.98Å; I109-F210 HydrophobicContact CD1-CE1 4.37Å; I109-F210 HydrophobicContact CG2-CD1 3.94Å; I109-F210 HydrophobicContact CG2-CE1 3.55Å; I109-V213 HydrophobicContact CB-CG1 4.36Å; I109-V213 HydrophobicContact CG2-CG1 3.83Å
110N69.3Low62.3Low1 Ų178.2 Ų78.21%0.00543%0.434CS..  trans-105.467.7175.858.7-31.3000111.8S108 S112 E113 M131 R132 M133 V213 I216S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 2.98Å; N110-S112 PolarHBondContact O-N 3.37Å; N110-E113 PolarHBondContact ND2-OE2 3.29Å; N110-M131 PolarHBondContact ND2-O 2.73Å; N110-R132 WeakPolarHBondContact OD1-CA 3.45Å; N110-M133 PolarHBondContact OD1-N 3.48Å; N110-V213 HydrophobicContact CB-CG1 4.43Å; N110-I216 HydrophobicContact CB-CG2 4.35Å
111P63.5Low59.4Low81 Ų8183 Ų8353%0.52646%0.459SS..THydrogen-bonded Turntrans-70.3-21.4177.632.7-36.3000112.7S108 I109S108-P111 WeakPolarHBondContact O-CD 3.39Å; I109-P111 WeakPolarHBondContact O-CD 3.32Å
112S57.6Low56.7Low90 Ų9092.2 Ų92.263%0.62950%0.5SS*.THydrogen-bonded Turntrans-79.5-14.2-171.6-37.10000114.8N110 E114N110-S112 PolarHBondContact O-N 3.37Å; S112-E114 PolarHBondContact O-N 2.89Å
113E55.1Low54Low45 Ų4595.1 Ų95.121%0.2153%0.526CS..  trans-79.499.1172.6-79.3-177.512700109.6N110 R148 I216N110-E113 PolarHBondContact ND2-OE2 3.29Å; E113-R148 IonicContact OE1-NH2 3.51Å; E113-R148 PolarHBondContact OE1-NH2 2.9Å; E113-I216 VanDerWaalsContact CD-CG2 3.48Å; E113-I216 HydrophobicContact CG-CG2 3.51Å; E113-I216 WeakPolarHBondContact OE1-CG1 3.37Å; E113-I216 WeakPolarHBondContact OE2-CD1 3.44Å
114E47.1Very low51.6Low167 Ų16797.4 Ų97.478%0.7854%0.538SS*.  trans-59.6141.4163.7-68.7-168.6150.400110.1S112 K116S112-E114 PolarHBondContact O-N 2.89Å; E114-K116 PolarHBondContact O-N 2.8Å
115P43.7Very low49.5Very low61 Ų6197.8 Ų97.840%0.39655%0.549SS..  trans-60104.1170.720.8-28.9000110.6L117 V127P115-L117 PolarHBondContact O-N 3.29Å; P115-V127 HydrophobicContact CB-CB 4.27Å; P115-V127 HydrophobicContact CB-CG1 4.26Å
116K37.7Very low47.9Very low168 Ų16894 Ų9473%0.7354%0.538SS*.  trans-58.3116.8162.9-77.4-175.8175.2177.90107.9E114 V118E114-K116 PolarHBondContact O-N 2.8Å; K116-V118 VanDerWaalsContact C-N 3.31Å; K116-V118 PolarHBondContact O-N 2.91Å
117L29.1Very low46.3Very low159 Ų15996.5 Ų96.583%0.83255%0.552SS**  trans-58.989.1175-90.6141.3000110.2P115 V119P115-L117 PolarHBondContact O-N 3.29Å; L117-V119 PolarHBondContact O-N 3.26Å
118V31.2Very low44.8Very low108 Ų10891.1 Ų91.166%0.65552%0.522SS*.  trans-78.5100.7158.9-178.70000106.2K116 V120K116-V118 VanDerWaalsContact C-N 3.31Å; K116-V118 PolarHBondContact O-N 2.91Å; V118-V120 HydrophobicContact CG1-CG2 4.19Å; V118-V120 PolarHBondContact O-N 2.77Å
119V26.3Very low43.8Very low118 Ų11892 Ų9272%0.71552%0.524SS*.  trans-73.690.4178.4-178.80000108.9L117L117-V119 PolarHBondContact O-N 3.26Å
120V31.6Very low43.2Very low115 Ų11594 Ų9470%0.69753%0.529SS*.SBendtrans-135.487.4160.6-172.50000108V118 F122V118-V120 HydrophobicContact CG1-CG2 4.19Å; V118-V120 PolarHBondContact O-N 2.77Å; V120-F122 PolarHBondContact O-N 2.68Å
121D26.6Very low42.7Very low145 Ų14595.6 Ų95.678%0.77554%0.537SS*.SBendtrans17.164.7161.8-60.2-23.9000119.4
122F31.1Very low42.9Very low195 Ų19595.9 Ų95.986%0.85553%0.528SS*.  trans-142.9109.5144.5-85.5-72.4000110.1V120V120-F122 PolarHBondContact O-N 2.68Å
123A28.6Very low43.8Very low75 Ų7592.7 Ų92.762%0.6250%0.503SS*.  trans-73.7157.5176.900000111.7
124N31Very low45.2Very low102 Ų10290.6 Ų90.655%0.54549%0.494SS..SBendtrans77.6104.6175.7-53.7-34.1000116.6
125S36.3Very low47Very low116 Ų11685.7 Ų85.781%0.81147%0.472SS*.SBendtrans48.682.5153.6580000117.7
126G48.5Very low48.9Very low34 Ų3486.6 Ų86.635%0.35147%0.468SS..  trans-164-39.817000000117.1G128 F129 R130G126-G128 VanDerWaalsContact C-N 3.33Å; G126-G128 PolarHBondContact O-N 3.3Å; G126-F129 WeakPolarHBondContact O-CB 3.31Å; G126-F129 PolarHBondContact O-N 2.76Å; G126-R130 PolarHBondContact O-N 3.39Å
127V45.6Very low51.2Low68 Ų6881.1 Ų81.141%0.41245%0.446SS..Hα-helixtrans-55.8-43.4-169.2-172.70000112.9P115 F129 R130P115-V127 HydrophobicContact CB-CB 4.27Å; P115-V127 HydrophobicContact CB-CG1 4.26Å; V127-F129 VanDerWaalsContact C-N 3.28Å; V127-F129 PolarHBondContact O-N 2.77Å; V127-R130 PolarHBondContact O-N 3.06Å
128G47.2Very low53.9Low12 Ų1276.1 Ų76.112%0.12442%0.421CS..Hα-helixtrans-73-14.7-179.100000115.2G126 R132G126-G128 VanDerWaalsContact C-N 3.33Å; G126-G128 PolarHBondContact O-N 3.3Å; G128-R132 WeakPolarHBondContact O-CD 3.42Å; G128-R132 WeakPolarHBondContact O-CG 3.48Å; G128-R132 PolarHBondContact O-NE 2.7Å; G128-R132 VanDerWaalsContact O-NE 3.07Å
129F57.3Low56.6Low29 Ų2971 Ų7113%0.12739%0.39CS..Hα-helixtrans-81-32.8171.2-173.4-103.9000111.1V101 N104 G126 V127 M131 R132 F134 L143 Y195V101-F129 HydrophobicContact CG1-CZ 4.44Å; N104-F129 WeakPolarHBondContact OD1-CE2 3.4Å; G126-F129 WeakPolarHBondContact O-CB 3.31Å; G126-F129 PolarHBondContact O-N 2.76Å; V127-F129 VanDerWaalsContact C-N 3.28Å; V127-F129 PolarHBondContact O-N 2.77Å; F129-M131 VanDerWaalsContact C-N 3.32Å; F129-M131 PolarHBondContact O-N 2.83Å; F129-R132 WeakPolarHBondContact O-CB 3.37Å; F129-R132 PolarHBondContact O-N 3.42Å; F129-R132 VanDerWaalsContact O-N 3.15Å; F129-F134 HydrophobicContact CD2-CZ 4.29Å; F129-F134 HydrophobicContact CE2-CE1 4.44Å; F129-F134 AromaticContact CE2-CZ 3.68Å; F129-F134 HydrophobicContact CE2-CZ 3.68Å; F129-F134 HydrophobicContact CZ-CZ 4.13Å; F129-L143 HydrophobicContact CD1-CD1 3.7Å; F129-L143 HydrophobicContact CE1-CD1 3.55Å; F129-L143 HydrophobicContact CZ-CD1 4.29Å; F129-L143 WeakPolarHBondContact O-CD1 3.37Å; F129-Y195 HydrophobicContact CD1-CE1 4.3Å; F129-Y195 HydrophobicContact CE1-CE1 4.25Å
130R63.3Low59.6Low85 Ų8566 Ų6632%0.32136%0.358SS..Hα-helixtrans-62.7-35.3-178.8-61.9-173.2179.9-161.8-0.3113.1G126 V127 R132 F145 I147 D157G126-R130 PolarHBondContact O-N 3.39Å; V127-R130 PolarHBondContact O-N 3.06Å; R130-R132 PolarHBondContact O-N 3.1Å; R130-F145 HydrophobicContact CB-CB 4.38Å; R130-F145 HydrophobicContact CB-CD2 4.01Å; R130-F145 HydrophobicContact CB-CG 4.28Å; R130-F145 HydrophobicContact CG-CD1 4.38Å; R130-F145 HydrophobicContact CG-CD2 3.78Å; R130-F145 HydrophobicContact CG-CE2 3.95Å; R130-F145 HydrophobicContact CG-CG 4.01Å; R130-F145 HydrophobicContact CG-CZ 4.34Å; R130-I147 WeakPolarHBondContact O-CD1 3.44Å; R130-D157 IonicContact NH1-OD2 2.67Å; R130-D157 PolarHBondContact NH1-OD2 3.32Å
131M58.3Low62.3Low34 Ų3460.5 Ų60.517%0.16733%0.325CS..THydrogen-bonded Turntrans-69.6-14.3177.5-82.8168.8176.700114.4N110 F129 I147N110-M131 PolarHBondContact ND2-O 2.73Å; F129-M131 VanDerWaalsContact C-N 3.32Å; F129-M131 PolarHBondContact O-N 2.83Å; M131-I147 HydrophobicContact CB-CG2 4.28Å; M131-I147 HydrophobicContact CE-CG2 3.83Å; M131-I147 HydrophobicContact CG-CG2 3.28Å; M131-I147 HydrophobicContact SD-CG2 4.44Å
132R67.3Low65.2Low87 Ų8755 Ų5533%0.32830%0.298SS..  trans-82.6133.7-165.3-72.3174.9-175.3-175.9-4113.3S108 N110 G128 F129 R130 F134S108-R132 WeakPolarHBondContact OG-CD 3.46Å; N110-R132 WeakPolarHBondContact OD1-CA 3.45Å; G128-R132 WeakPolarHBondContact O-CD 3.42Å; G128-R132 WeakPolarHBondContact O-CG 3.48Å; G128-R132 PolarHBondContact O-NE 2.7Å; G128-R132 VanDerWaalsContact O-NE 3.07Å; F129-R132 WeakPolarHBondContact O-CB 3.37Å; F129-R132 PolarHBondContact O-N 3.42Å; F129-R132 VanDerWaalsContact O-N 3.15Å; R130-R132 PolarHBondContact O-N 3.1Å; R132-F134 HydrophobicContact CB-CD2 4.47Å; R132-F134 HydrophobicContact CB-CE1 4.29Å; R132-F134 HydrophobicContact CB-CE2 3.58Å; R132-F134 HydrophobicContact CB-CZ 3.47Å; R132-F134 VanDerWaalsContact CB-CZ 3.47Å; R132-F134 HydrophobicContact CG-CZ 4.49Å; R132-F134 VanDerWaalsContact O-CE2 3.3Å; R132-F134 WeakPolarHBondContact O-CE2 3.12Å
133M77Confident67.8Low23 Ų2346.3 Ų46.311%0.11326%0.26CS..  trans-107141.2171.4-67.7169.473.300108.3S108 I109 N110 F140 P212 V213S108-M133 CarbonylContact C-O 3.58Å; S108-M133 WeakPolarHBondContact CA-O 3.33Å; I109-M133 WeakPolarHBondContact CG1-O 3.4Å; I109-M133 PolarHBondContact N-O 3.45Å; N110-M133 PolarHBondContact OD1-N 3.48Å; M133-F140 HydrophobicContact CB-CE2 3.81Å; M133-F140 HydrophobicContact CB-CZ 3.78Å; M133-F140 HydrophobicContact CE-CE1 4.12Å; M133-F140 HydrophobicContact CE-CE2 3.63Å; M133-F140 HydrophobicContact CE-CZ 3.18Å; M133-F140 HydrophobicContact CG-CE2 4.36Å; M133-F140 HydrophobicContact CG-CZ 3.85Å; M133-F140 HydrophobicContact SD-CZ 4.32Å; M133-P212 HydrophobicContact CE-CB 3.74Å; M133-P212 HydrophobicContact CE-CG 3.7Å; M133-P212 HydrophobicContact SD-CB 3.81Å; M133-P212 HydrophobicContact SD-CG 4.38Å; M133-V213 HydrophobicContact CB-CG2 4.19Å; M133-V213 HydrophobicContact CE-CG2 3.48Å; M133-V213 VanDerWaalsContact CE-CG2 3.48Å; M133-V213 HydrophobicContact CG-CG2 4.49Å; M133-V213 HydrophobicContact SD-CG2 3.52Å; M133-V213 VanDerWaalsContact SD-CG2 3.52Å
134F84.4Confident70.3Confident2 Ų243.1 Ų43.11%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-129.4147.5-174.4-50.2-103.1000111.1V101 V106 F129 R132 F141V101-F134 HydrophobicContact CB-CG 4.47Å; V101-F134 HydrophobicContact CG1-CD1 4.12Å; V101-F134 HydrophobicContact CG1-CD2 3.51Å; V101-F134 HydrophobicContact CG1-CE1 4.13Å; V101-F134 HydrophobicContact CG1-CE2 3.53Å; V101-F134 HydrophobicContact CG1-CG 3.83Å; V101-F134 HydrophobicContact CG1-CZ 3.85Å; V101-F134 HydrophobicContact CG2-CB 3.77Å; V101-F134 HydrophobicContact CG2-CD1 4.16Å; V101-F134 HydrophobicContact CG2-CD2 4.26Å; V101-F134 HydrophobicContact CG2-CG 3.83Å; V106-F134 HydrophobicContact CB-CD1 4.25Å; V106-F134 HydrophobicContact CG1-CB 4.18Å; V106-F134 HydrophobicContact CG1-CD1 4.15Å; V106-F134 WeakPolarHBondContact O-CD1 3.42Å; V106-F134 WeakPolarHBondContact O-CE1 3.47Å; F129-F134 HydrophobicContact CD2-CZ 4.29Å; F129-F134 HydrophobicContact CE2-CE1 4.44Å; F129-F134 AromaticContact CE2-CZ 3.68Å; F129-F134 HydrophobicContact CE2-CZ 3.68Å; F129-F134 HydrophobicContact CZ-CZ 4.13Å; R132-F134 HydrophobicContact CB-CD2 4.47Å; R132-F134 HydrophobicContact CB-CE1 4.29Å; R132-F134 HydrophobicContact CB-CE2 3.58Å; R132-F134 HydrophobicContact CB-CZ 3.47Å; R132-F134 VanDerWaalsContact CB-CZ 3.47Å; R132-F134 HydrophobicContact CG-CZ 4.49Å; R132-F134 VanDerWaalsContact O-CE2 3.3Å; R132-F134 WeakPolarHBondContact O-CE2 3.12Å; F134-F141 HydrophobicContact CB-CB 4.2Å; F134-F141 PolarHBondContact N-O 3.33Å; F134-F141 PolarHBondContact O-N 2.87Å
135L85.5Confident72.6Confident64 Ų6439.3 Ų39.334%0.33521%0.213SC..EExtended strand (participates in β ladder)trans-124.2124.8173.2179.166.5000108I109 V202 F210I109-L135 HydrophobicContact CD1-CB 3.67Å; I109-L135 HydrophobicContact CG1-CB 3.97Å; L135-V202 HydrophobicContact CD1-CG2 3.82Å; L135-F210 HydrophobicContact CD2-CZ 4.29Å
136W84.1Confident74.5Confident80 Ų8034.7 Ų34.730%0.30318%0.179SC..EExtended strand (participates in β ladder)trans-147.9128.7176.8-178.189.1000110.2A93 R96 G97 V106 N138 I139 F141A93-W136 VanDerWaalsContact O-CZ3 3.29Å; A93-W136 WeakPolarHBondContact O-CZ3 3.33Å; R96-W136 HydrophobicContact CB-CH2 3.92Å; R96-W136 HydrophobicContact CB-CZ3 4.21Å; G97-W136 VanDerWaalsContact CA-CE3 3.45Å; V106-W136 HydrophobicContact CG1-CB 4.23Å; V106-W136 HydrophobicContact CG2-CB 4.46Å; V106-W136 HydrophobicContact CG2-CG 4.32Å; W136-N138 VanDerWaalsContact C-N 3.31Å; W136-N138 PolarHBondContact O-N 3.36Å; W136-I139 PolarHBondContact N-O 3.04Å; W136-I139 WeakPolarHBondContact O-CB 3.39Å; W136-I139 PolarHBondContact O-N 2.86Å; W136-F141 HydrophobicContact CB-CD2 4.44Å; W136-F141 HydrophobicContact CB-CE2 3.8Å; W136-F141 HydrophobicContact CE3-CZ 4.43Å
137N84.3Confident75.4Confident52 Ų5236.1 Ų36.128%0.27818%0.178SC..THydrogen-bonded Turntrans49.945.2-176.3-166.926.8000113.9W58 I139W58-N137 PolarHBondContact NE1-O 3.35Å; N137-I139 PolarHBondContact O-N 3.14Å; N137-I139 VanDerWaalsContact O-N 3.11Å
138N85.6Confident76.5Confident55 Ų5538.1 Ų38.129%0.29418%0.179SC..THydrogen-bonded Turntrans54.923.2-174.4-64.2-13.4000115.3A55 R56 W136A55-N138 WeakPolarHBondContact CB-ND2 3.4Å; A55-N138 PolarHBondContact O-ND2 2.89Å; R56-N138 VanDerWaalsContact O-CB 3.31Å; R56-N138 WeakPolarHBondContact O-CB 3.12Å; R56-N138 PolarHBondContact O-ND2 3.38Å; W136-N138 VanDerWaalsContact C-N 3.31Å; W136-N138 PolarHBondContact O-N 3.36Å
139I88.5Confident77.7Confident0 Ų041.8 Ų41.80%020%0.196CC..EExtended strand (participates in β ladder)trans-109.6130.1169.5-53.3-178.4000107.7W58 F90 A93 A94 W136 N137 F141 C199W58-I139 HydrophobicContact CG-CG1 4.49Å; W58-I139 HydrophobicContact CZ2-CD1 4.47Å; F90-I139 HydrophobicContact CD2-CD1 3.78Å; F90-I139 HydrophobicContact CD2-CG1 4.13Å; F90-I139 HydrophobicContact CE2-CB 4.46Å; F90-I139 HydrophobicContact CE2-CD1 3.74Å; F90-I139 HydrophobicContact CE2-CG1 3.75Å; F90-I139 HydrophobicContact CE2-CG2 4.03Å; F90-I139 HydrophobicContact CZ-CG2 4.19Å; A93-I139 HydrophobicContact CB-CD1 3.71Å; A94-I139 HydrophobicContact CB-CD1 4.02Å; A94-I139 HydrophobicContact CB-CG2 4.41Å; W136-I139 PolarHBondContact N-O 3.04Å; W136-I139 WeakPolarHBondContact O-CB 3.39Å; W136-I139 PolarHBondContact O-N 2.86Å; N137-I139 PolarHBondContact O-N 3.14Å; N137-I139 VanDerWaalsContact O-N 3.11Å; I139-F141 HydrophobicContact CB-CE2 3.69Å; I139-F141 HydrophobicContact CB-CZ 3.7Å; I139-F141 HydrophobicContact CG2-CD2 4.45Å; I139-F141 HydrophobicContact CG2-CE1 3.97Å; I139-F141 HydrophobicContact CG2-CE2 3.8Å; I139-F141 HydrophobicContact CG2-CZ 3.52Å; I139-F141 WeakPolarHBondContact O-CD2 3.09Å; I139-F141 WeakPolarHBondContact O-CE2 3.46Å; I139-C199 HydrophobicContact CG2-CB 3.94Å
140F89.2Confident78.4Confident12 Ų1244.4 Ų44.45%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-89.2134.8175.4178.2-97.8000110.5I109 M133 C199 Q200 V202 V209I109-F140 HydrophobicContact CD1-CD2 4.18Å; I109-F140 HydrophobicContact CD1-CE2 3.98Å; M133-F140 HydrophobicContact CB-CE2 3.81Å; M133-F140 HydrophobicContact CB-CZ 3.78Å; M133-F140 HydrophobicContact CE-CE1 4.12Å; M133-F140 HydrophobicContact CE-CE2 3.63Å; M133-F140 HydrophobicContact CE-CZ 3.18Å; M133-F140 HydrophobicContact CG-CE2 4.36Å; M133-F140 HydrophobicContact CG-CZ 3.85Å; M133-F140 HydrophobicContact SD-CZ 4.32Å; F140-C199 CarbonylContact O-C 3.53Å; F140-C199 VanDerWaalsContact O-CA 3.28Å; F140-C199 WeakPolarHBondContact O-CA 3.24Å; F140-Q200 PolarHBondContact N-O 3.39Å; F140-Q200 PolarHBondContact O-N 3.43Å; F140-V202 HydrophobicContact CB-CG2 4.39Å; F140-V209 HydrophobicContact CB-CG1 3.5Å; F140-V209 VanDerWaalsContact CB-CG1 3.5Å; F140-V209 HydrophobicContact CD1-CG1 3.76Å; F140-V209 HydrophobicContact CD2-CG1 3.61Å; F140-V209 HydrophobicContact CE2-CG1 4.39Å; F140-V209 HydrophobicContact CG-CG1 3.27Å
141F89.8Confident79Confident0 Ų042.5 Ų42.50%020%0.201CC..EExtended strand (participates in β ladder)trans-125.4127.6-177.7-56.7-93.8000111.2A94 A98 V101 F134 W136 I139 I197 T198 C199A94-F141 WeakPolarHBondContact O-CE1 3.12Å; A98-F141 HydrophobicContact CB-CD1 4.42Å; A98-F141 HydrophobicContact CB-CE1 4.31Å; V101-F141 HydrophobicContact CG2-CB 4.37Å; V101-F141 HydrophobicContact CG2-CD2 4.42Å; V101-F141 HydrophobicContact CG2-CG 4.26Å; F134-F141 HydrophobicContact CB-CB 4.2Å; F134-F141 PolarHBondContact N-O 3.33Å; F134-F141 PolarHBondContact O-N 2.87Å; W136-F141 HydrophobicContact CB-CD2 4.44Å; W136-F141 HydrophobicContact CB-CE2 3.8Å; W136-F141 HydrophobicContact CE3-CZ 4.43Å; I139-F141 HydrophobicContact CB-CE2 3.69Å; I139-F141 HydrophobicContact CB-CZ 3.7Å; I139-F141 HydrophobicContact CG2-CD2 4.45Å; I139-F141 HydrophobicContact CG2-CE1 3.97Å; I139-F141 HydrophobicContact CG2-CE2 3.8Å; I139-F141 HydrophobicContact CG2-CZ 3.52Å; I139-F141 WeakPolarHBondContact O-CD2 3.09Å; I139-F141 WeakPolarHBondContact O-CE2 3.46Å; F141-I197 HydrophobicContact CB-CG2 3.96Å; F141-I197 HydrophobicContact CD1-CG2 3.94Å; F141-I197 HydrophobicContact CG-CG2 4.47Å; F141-T198 WeakPolarHBondContact CA-O 3.28Å; F141-C199 HydrophobicContact CD1-CB 3.97Å; F141-C199 WeakPolarHBondContact CD1-SG 3.15Å; F141-C199 HydrophobicContact CE1-CB 3.88Å; F141-C199 VanDerWaalsContact CE1-SG 3.58Å
142S86.5Confident80.2Confident30 Ų3047.4 Ų47.421%0.2122%0.221CC..EExtended strand (participates in β ladder)trans-130.9146.1172.946.10000111.8I197 T198S142-I197 WeakPolarHBondContact O-CA 3.32Å; S142-I197 WeakPolarHBondContact O-CG2 3.48Å; S142-T198 PolarHBondContact N-O 3.45Å; S142-T198 PolarHBondContact O-N 2.92Å; S142-T198 PolarHBondContact O-OG1 3.27Å; S142-T198 VanDerWaalsContact O-OG1 3.13Å; S142-T198 PolarHBondContact OG-OG1 2.79Å
143L85.2Confident80.9Confident12 Ų1247.5 Ų47.56%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-90.7137.5-178.7-54178000110.5F129 F145 I197F129-L143 HydrophobicContact CD1-CD1 3.7Å; F129-L143 HydrophobicContact CE1-CD1 3.55Å; F129-L143 HydrophobicContact CZ-CD1 4.29Å; F129-L143 WeakPolarHBondContact O-CD1 3.37Å; L143-F145 VanDerWaalsContact C-N 3.33Å; L143-F145 HydrophobicContact CB-CD2 3.75Å; L143-F145 HydrophobicContact CB-CE2 4.07Å; L143-F145 HydrophobicContact CD1-CD2 4.49Å; L143-F145 HydrophobicContact CD1-CE2 4.34Å; L143-F145 PolarHBondContact O-N 3.15Å; L143-I197 HydrophobicContact CD2-CD1 3.58Å; L143-I197 HydrophobicContact CD2-CG1 3.68Å
144G82Confident81.2Confident8 Ų846.6 Ų46.68%0.08223%0.228CC..  trans-7969.8179.400000114.2R196G144-R196 PolarHBondContact N-O 3.27Å
145F80Confident81.1Confident22 Ų2248.1 Ų48.110%0.09624%0.243CC..SBendtrans-126.2152.3173.8-66.6-75.2000111.2R130 L143 I147 Y195R130-F145 HydrophobicContact CB-CB 4.38Å; R130-F145 HydrophobicContact CB-CD2 4.01Å; R130-F145 HydrophobicContact CB-CG 4.28Å; R130-F145 HydrophobicContact CG-CD1 4.38Å; R130-F145 HydrophobicContact CG-CD2 3.78Å; R130-F145 HydrophobicContact CG-CE2 3.95Å; R130-F145 HydrophobicContact CG-CG 4.01Å; R130-F145 HydrophobicContact CG-CZ 4.34Å; L143-F145 VanDerWaalsContact C-N 3.33Å; L143-F145 HydrophobicContact CB-CD2 3.75Å; L143-F145 HydrophobicContact CB-CE2 4.07Å; L143-F145 HydrophobicContact CD1-CD2 4.49Å; L143-F145 HydrophobicContact CD1-CE2 4.34Å; L143-F145 PolarHBondContact O-N 3.15Å; F145-I147 HydrophobicContact CB-CG1 4.21Å; F145-I147 PolarHBondContact O-N 3.37Å; F145-Y195 AromaticContact CE2-CD1 3.78Å; F145-Y195 HydrophobicContact CE2-CD1 3.78Å; F145-Y195 AromaticContact CE2-CE1 4Å; F145-Y195 HydrophobicContact CE2-CE1 4Å; F145-Y195 AromaticContact CZ-CD1 3.8Å; F145-Y195 HydrophobicContact CZ-CD1 3.8Å; F145-Y195 AromaticContact CZ-CE1 3.85Å; F145-Y195 HydrophobicContact CZ-CE1 3.85Å
146D75.1Confident81.2Confident19 Ų1945.8 Ų45.810%0.10224%0.235CC..  trans-86.585.4174.2-167.213.5000110.8D149 H150 Y151 K152 G156 D157 A160D146-D149 PolarHBondContact OD1-N 2.89Å; D146-H150 PolarHBondContact OD1-N 3.11Å; D146-Y151 HydrophobicContact CB-CD2 4.35Å; D146-Y151 VanDerWaalsContact CG-N 3.3Å; D146-Y151 PolarHBondContact OD1-N 3.27Å; D146-Y151 VanDerWaalsContact OD1-N 3.09Å; D146-Y151 VanDerWaalsContact OD2-C 3.25Å; D146-Y151 VanDerWaalsContact OD2-CA 3.3Å; D146-Y151 WeakPolarHBondContact OD2-CA 3.37Å; D146-Y151 WeakPolarHBondContact OD2-CB 3.36Å; D146-Y151 PolarHBondContact OD2-N 3Å; D146-K152 PolarHBondContact OD2-N 3.4Å; D146-G156 WeakPolarHBondContact OD2-CA 3.24Å; D146-D157 PolarHBondContact N-OD1 2.87Å; D146-A160 HydrophobicContact CB-CB 3.85Å; D146-A160 VanDerWaalsContact N-CB 3.33Å
147I67.4Low81.2Confident64 Ų6445.2 Ų45.233%0.32824%0.238SC..SBendtrans-76.6-29.2-170.3-63.3152.8000112.8R130 M131 F145R130-I147 WeakPolarHBondContact O-CD1 3.44Å; M131-I147 HydrophobicContact CB-CG2 4.28Å; M131-I147 HydrophobicContact CE-CG2 3.83Å; M131-I147 HydrophobicContact CG-CG2 3.28Å; M131-I147 HydrophobicContact SD-CG2 4.44Å; F145-I147 HydrophobicContact CB-CG1 4.21Å; F145-I147 PolarHBondContact O-N 3.37Å
148R68.2Low81.3Confident110 Ų11044 Ų4442%0.41524%0.235SC..SBendtrans-127.623.1-166.7-71-172.8175.5-174.8-2.6112.5E113 H150E113-R148 IonicContact OE1-NH2 3.51Å; E113-R148 PolarHBondContact OE1-NH2 2.9Å; R148-H150 WeakPolarHBondContact CB-CD2 3.27Å; R148-H150 VanDerWaalsContact CB-NE2 3.34Å; R148-H150 WeakPolarHBondContact CB-NE2 3.35Å; R148-H150 PolarHBondContact O-CD2 3.44Å; R148-H150 PolarHBondContact O-N 3.41Å
149D72Confident81.4Confident90 Ų9041.4 Ų41.448%0.48122%0.221SC..SBendtrans5520-171.7-82.8-5.9000113.3D146 Y151 K152D146-D149 PolarHBondContact OD1-N 2.89Å; D149-Y151 PolarHBondContact O-N 3.03Å; D149-K152 HydrophobicContact CB-CB 3.96Å; D149-K152 HydrophobicContact CB-CD 3.97Å; D149-K152 WeakPolarHBondContact O-CB 3.4Å; D149-K152 PolarHBondContact O-N 3.47Å; D149-K152 VanDerWaalsContact O-N 3.11Å; D149-K152 WeakPolarHBondContact OD2-CD 3.41Å; D149-K152 WeakPolarHBondContact OD2-CE 3.26Å; D149-K152 IonicContact OD2-NZ 3.59Å; D149-K152 PolarHBondContact OD2-NZ 3.44Å
150H72Confident81.4Confident84 Ų8441.5 Ų41.539%0.38922%0.222SC..THydrogen-bonded Turntrans-60.9-35.2-179.7-76.5-173.3000111.4D146 R148 F234D146-H150 PolarHBondContact OD1-N 3.11Å; R148-H150 WeakPolarHBondContact CB-CD2 3.27Å; R148-H150 VanDerWaalsContact CB-NE2 3.34Å; R148-H150 WeakPolarHBondContact CB-NE2 3.35Å; R148-H150 PolarHBondContact O-CD2 3.44Å; R148-H150 PolarHBondContact O-N 3.41Å; H150-F234 HydrophobicContact CB-CZ 3.91Å; H150-F234 AromaticContact CG-CZ 3.94Å
151Y77.4Confident81.3Confident44 Ų4442.5 Ų42.517%0.17323%0.226CC..THydrogen-bonded Turntrans-99.75.9179-65.1-87.9000112.7D146 D149 T153 L154 G155 G156 A159 A160 S163 L363D146-Y151 HydrophobicContact CB-CD2 4.35Å; D146-Y151 VanDerWaalsContact CG-N 3.3Å; D146-Y151 PolarHBondContact OD1-N 3.27Å; D146-Y151 VanDerWaalsContact OD1-N 3.09Å; D146-Y151 VanDerWaalsContact OD2-C 3.25Å; D146-Y151 VanDerWaalsContact OD2-CA 3.3Å; D146-Y151 WeakPolarHBondContact OD2-CA 3.37Å; D146-Y151 WeakPolarHBondContact OD2-CB 3.36Å; D146-Y151 PolarHBondContact OD2-N 3Å; D149-Y151 PolarHBondContact O-N 3.03Å; Y151-T153 VanDerWaalsContact C-N 3.28Å; Y151-T153 PolarHBondContact O-N 3.15Å; Y151-L154 HydrophobicContact CD1-CD1 4.02Å; Y151-L154 CarbonylContact O-C 3.52Å; Y151-L154 VanDerWaalsContact O-CA 3.31Å; Y151-L154 WeakPolarHBondContact O-CA 3.35Å; Y151-L154 WeakPolarHBondContact O-CB 3.43Å; Y151-L154 PolarHBondContact O-N 3.26Å; Y151-G155 PolarHBondContact O-N 3.16Å; Y151-G156 PolarHBondContact O-N 2.85Å; Y151-A159 HydrophobicContact CD1-CB 3.98Å; Y151-A159 HydrophobicContact CG-CB 4.31Å; Y151-A160 HydrophobicContact CD2-CB 3.51Å; Y151-A160 HydrophobicContact CE2-CB 3.85Å; Y151-A160 HydrophobicContact CG-CB 3.97Å; Y151-S163 WeakPolarHBondContact OH-CB 3.49Å; Y151-S163 PolarHBondContact OH-OG 2.66Å; Y151-L363 HydrophobicContact CE1-CD1 4.44Å
152K82.5Confident81.3Confident137 Ų13744 Ų4460%0.59624%0.236SC*.G310 helixtrans-52.8-42.9-176.3-172.2-178.4-155.3152.90113.2D146 D149 L154D146-K152 PolarHBondContact OD2-N 3.4Å; D149-K152 HydrophobicContact CB-CB 3.96Å; D149-K152 HydrophobicContact CB-CD 3.97Å; D149-K152 WeakPolarHBondContact O-CB 3.4Å; D149-K152 PolarHBondContact O-N 3.47Å; D149-K152 VanDerWaalsContact O-N 3.11Å; D149-K152 WeakPolarHBondContact OD2-CD 3.41Å; D149-K152 WeakPolarHBondContact OD2-CE 3.26Å; D149-K152 IonicContact OD2-NZ 3.59Å; D149-K152 PolarHBondContact OD2-NZ 3.44Å; K152-L154 VanDerWaalsContact C-N 3.25Å; K152-L154 PolarHBondContact O-N 3.02Å
153T82.2Confident81.4Confident90 Ų9042.9 Ų42.955%0.55223%0.228SC*.G310 helixtrans-72.4-15.9176.154.30000113.8Y151Y151-T153 VanDerWaalsContact C-N 3.28Å; Y151-T153 PolarHBondContact O-N 3.15Å
154L82.9Confident81.7Confident4 Ų442.8 Ų42.82%0.02123%0.228CC..G310 helixtrans-106.8-4.6-176.9-61.3171.5000113.3Y151 K152 A159 H361 V362 L363 P616Y151-L154 HydrophobicContact CD1-CD1 4.02Å; Y151-L154 CarbonylContact O-C 3.52Å; Y151-L154 VanDerWaalsContact O-CA 3.31Å; Y151-L154 WeakPolarHBondContact O-CA 3.35Å; Y151-L154 WeakPolarHBondContact O-CB 3.43Å; Y151-L154 PolarHBondContact O-N 3.26Å; K152-L154 VanDerWaalsContact C-N 3.25Å; K152-L154 PolarHBondContact O-N 3.02Å; L154-A159 HydrophobicContact CB-CB 3.98Å; L154-A159 WeakPolarHBondContact O-CB 2.86Å; L154-H361 CarbonylContact O-C 3.59Å; L154-H361 VanDerWaalsContact O-CA 3.24Å; L154-H361 WeakPolarHBondContact O-CA 3.42Å; L154-H361 WeakPolarHBondContact O-CB 3.21Å; L154-V362 HydrophobicContact CD2-CB 4.33Å; L154-V362 PolarHBondContact O-N 3.39Å; L154-L363 HydrophobicContact CD1-CD2 4.15Å; L154-P616 HydrophobicContact CD2-CG 3.89Å
155G84Confident82.2Confident33 Ų3343.9 Ų43.934%0.3423%0.232SC..THydrogen-bonded Turntrans121.210.2-178.300000116Y151 A158Y151-G155 PolarHBondContact O-N 3.16Å; G155-A158 PolarHBondContact O-N 3.22Å
156G86.1Confident82.6Confident15 Ų1543.5 Ų43.516%0.15523%0.231CC..THydrogen-bonded Turntrans62-137.4177.400000113.3D146 Y151 A158 A159 A160D146-G156 WeakPolarHBondContact OD2-CA 3.24Å; Y151-G156 PolarHBondContact O-N 2.85Å; G156-A158 PolarHBondContact O-N 3.28Å; G156-A158 VanDerWaalsContact O-N 3.07Å; G156-A159 WeakPolarHBondContact O-CB 3.39Å; G156-A159 PolarHBondContact O-N 3Å; G156-A160 PolarHBondContact O-N 3.02Å
157D85.2Confident83.4Confident69 Ų6943 Ų4337%0.36923%0.229SC..Hα-helixtrans-48.9-35.3177.5-96.6-16000113R130 D146 A159 A160 F161R130-D157 IonicContact NH1-OD2 2.67Å; R130-D157 PolarHBondContact NH1-OD2 3.32Å; D146-D157 PolarHBondContact N-OD1 2.87Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 3.05Å; D157-A160 PolarHBondContact O-N 2.83Å; D157-F161 WeakPolarHBondContact O-CB 3.3Å; D157-F161 PolarHBondContact O-N 3.04Å
158A86.6Confident84.5Confident26 Ų2640.3 Ų40.322%0.21522%0.215CC..Hα-helixtrans-67.5-33.617900000113G155 G156 V162 P360 H361G155-A158 PolarHBondContact O-N 3.22Å; G156-A158 PolarHBondContact O-N 3.28Å; G156-A158 VanDerWaalsContact O-N 3.07Å; A158-V162 WeakPolarHBondContact O-CG2 3.46Å; A158-V162 PolarHBondContact O-N 3.22Å; A158-P360 HydrophobicContact CB-CB 4.3Å; A158-P360 WeakPolarHBondContact CB-O 3.49Å; A158-H361 HydrophobicContact CB-CB 4.41Å
159A87.7Confident85.4Confident0 Ų039.8 Ų39.80%022%0.217CC..Hα-helixtrans-79.5-44.117500000111.4Y151 L154 G156 D157 F161 V162 S163 H361 L363Y151-A159 HydrophobicContact CD1-CB 3.98Å; Y151-A159 HydrophobicContact CG-CB 4.31Å; L154-A159 HydrophobicContact CB-CB 3.98Å; L154-A159 WeakPolarHBondContact O-CB 2.86Å; G156-A159 WeakPolarHBondContact O-CB 3.39Å; G156-A159 PolarHBondContact O-N 3Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 3.05Å; A159-F161 PolarHBondContact O-N 2.95Å; A159-V162 PolarHBondContact O-N 3.33Å; A159-S163 WeakPolarHBondContact O-CB 3.15Å; A159-S163 PolarHBondContact O-N 3.3Å; A159-H361 HydrophobicContact CB-CB 3.8Å; A159-L363 HydrophobicContact CB-CD1 3.93Å; A159-L363 HydrophobicContact CB-CG 4.23Å; A159-L363 WeakPolarHBondContact O-CD1 3.37Å
160A86.8Confident86.1Confident3 Ų335.5 Ų35.53%0.02519%0.194CC..Hα-helixtrans-58.8-35.2174.500000112.4D146 Y151 G156 D157 P164D146-A160 HydrophobicContact CB-CB 3.85Å; D146-A160 VanDerWaalsContact N-CB 3.33Å; Y151-A160 HydrophobicContact CD2-CB 3.51Å; Y151-A160 HydrophobicContact CE2-CB 3.85Å; Y151-A160 HydrophobicContact CG-CB 3.97Å; G156-A160 PolarHBondContact O-N 3.02Å; D157-A160 PolarHBondContact O-N 2.83Å; A160-P164 WeakPolarHBondContact O-CD 3.18Å
161F88.6Confident86.9Confident32 Ų3231.9 Ų31.914%0.1418%0.178CC..Hα-helixtrans-66.3-37.1174-172.7-89.7000112.3D157 A159 R196D157-F161 WeakPolarHBondContact O-CB 3.3Å; D157-F161 PolarHBondContact O-N 3.04Å; A159-F161 PolarHBondContact O-N 2.95Å; F161-R196 HydrophobicContact CD2-CB 4.11Å; F161-R196 VanDerWaalsContact CE1-NH1 3.34Å; F161-R196 HydrophobicContact CE2-CB 3.46Å; F161-R196 VanDerWaalsContact CE2-CB 3.46Å; F161-R196 HydrophobicContact CE2-CG 4.42Å; F161-R196 HydrophobicContact CZ-CB 3.84Å; F161-R196 HydrophobicContact CZ-CG 4.46Å; F161-R196 WeakPolarHBondContact O-CD 3.22Å; F161-R196 PolarHBondContact O-NH1 3.19Å
162V89Confident87.4Confident33 Ų3331.3 Ų31.320%0.218%0.177CC..Hα-helixtrans-85-35.4-175.7171.10000113A158 A159 L165 C166A158-V162 WeakPolarHBondContact O-CG2 3.46Å; A158-V162 PolarHBondContact O-N 3.22Å; A159-V162 PolarHBondContact O-N 3.33Å; V162-L165 PolarHBondContact O-N 3.39Å; V162-C166 PolarHBondContact O-N 3.21Å
163S89.7Confident87.3Confident6 Ų625.5 Ų25.54%0.04215%0.154CC..Hα-helixtrans-43.5-48179175.40000114.4Y151 A159 L165 C166 D167Y151-S163 WeakPolarHBondContact OH-CB 3.49Å; Y151-S163 PolarHBondContact OH-OG 2.66Å; A159-S163 WeakPolarHBondContact O-CB 3.15Å; A159-S163 PolarHBondContact O-N 3.3Å; S163-L165 VanDerWaalsContact C-N 3.28Å; S163-L165 PolarHBondContact O-N 3.14Å; S163-L165 VanDerWaalsContact O-N 3.11Å; S163-C166 CarbonylContact O-C 3.38Å; S163-C166 WeakPolarHBondContact O-CA 3.23Å; S163-C166 WeakPolarHBondContact O-CB 3.44Å; S163-C166 PolarHBondContact O-N 3.16Å; S163-D167 PolarHBondContact O-N 3.32Å
164P91.3Very high87.5Confident10 Ų1021.2 Ų21.27%0.06513%0.128CC..Hα-helixtrans-44.4-41.7171.4-39.140000117.2A160 L168 V189 R196 T198A160-P164 WeakPolarHBondContact O-CD 3.18Å; P164-L168 WeakPolarHBondContact O-CB 3.35Å; P164-L168 PolarHBondContact O-N 2.81Å; P164-L168 VanDerWaalsContact O-N 3.14Å; P164-V189 HydrophobicContact CB-CG1 4.11Å; P164-V189 HydrophobicContact CB-CG2 3.99Å; P164-V189 WeakPolarHBondContact O-CG2 3.13Å; P164-R196 HydrophobicContact CB-CG 4.48Å; P164-T198 HydrophobicContact CB-CG2 3.55Å; P164-T198 HydrophobicContact CG-CG2 3.8Å
165L91.1Very high87.6Confident31 Ų3121.9 Ų21.916%0.16213%0.131CC..Hα-helixtrans-81.2-30.3179.4-68.2-173.4000112V162 S163 L168 H169 V189 R885V162-L165 PolarHBondContact O-N 3.39Å; S163-L165 VanDerWaalsContact C-N 3.28Å; S163-L165 PolarHBondContact O-N 3.14Å; S163-L165 VanDerWaalsContact O-N 3.11Å; L165-L168 HydrophobicContact CD2-CD2 4.41Å; L165-H169 PolarHBondContact O-CD2 3.05Å; L165-H169 PolarHBondContact O-N 3.47Å; L165-H169 PolarHBondContact O-ND1 2.71Å; L165-V189 HydrophobicContact CD2-CB 3.93Å; L165-V189 HydrophobicContact CD2-CG1 3.92Å; L165-V189 HydrophobicContact CD2-CG2 4.14Å; L165-R885 HydrophobicContact CD2-CB 3.85Å; L165-R885 HydrophobicContact CD2-CG 3.72Å
166C89.7Confident87.5Confident13 Ų1322.3 Ų22.39%0.08813%0.125CC..Hα-helixtrans-65.2-45.1171-66.60000110.6V162 S163 L168 H169 G170 Y331 H333V162-C166 PolarHBondContact O-N 3.21Å; S163-C166 CarbonylContact O-C 3.38Å; S163-C166 WeakPolarHBondContact O-CA 3.23Å; S163-C166 WeakPolarHBondContact O-CB 3.44Å; S163-C166 PolarHBondContact O-N 3.16Å; C166-L168 PolarHBondContact O-N 3.4Å; C166-H169 PolarHBondContact O-N 2.71Å; C166-G170 PolarHBondContact O-N 2.97Å; C166-Y331 WeakPolarHBondContact CB-O 3.38Å; C166-H333 PolarHBondContact O-CE1 2.11Å; C166-H333 PolarHBondContact O-ND1 2.92Å
167D90.3Very high87.1Confident10 Ų1022.3 Ų22.35%0.05312%0.124CC..Hα-helixtrans-58.8-48.5174.2-177.765.9000111.4S163 H169 G170 V171 Q200 L330S163-D167 PolarHBondContact O-N 3.32Å; D167-H169 VanDerWaalsContact C-N 3.3Å; D167-H169 PolarHBondContact O-N 2.91Å; D167-G170 WeakPolarHBondContact O-CA 3.46Å; D167-G170 PolarHBondContact O-N 3.4Å; D167-V171 WeakPolarHBondContact O-CG2 3.46Å; D167-V171 PolarHBondContact O-N 2.86Å; D167-Q200 PolarHBondContact OD2-NE2 2.93Å; D167-L330 PolarHBondContact OD1-N 3.4Å
168L91.8Very high87Confident7 Ų720.2 Ų20.24%0.03711%0.113CC..Hα-helixtrans-58.7-37.6176.7-178.365.9000113.2P164 L165 C166 Q172 T187 V189 R885 L887P164-L168 WeakPolarHBondContact O-CB 3.35Å; P164-L168 PolarHBondContact O-N 2.81Å; P164-L168 VanDerWaalsContact O-N 3.14Å; L165-L168 HydrophobicContact CD2-CD2 4.41Å; C166-L168 PolarHBondContact O-N 3.4Å; L168-Q172 WeakPolarHBondContact O-CB 3.22Å; L168-Q172 PolarHBondContact O-N 2.87Å; L168-T187 HydrophobicContact CD1-CG2 4.08Å; L168-T187 VanDerWaalsContact CD1-O 3.24Å; L168-T187 WeakPolarHBondContact CD1-O 3.44Å; L168-V189 HydrophobicContact CB-CG2 4.27Å; L168-V189 HydrophobicContact CD2-CB 4.49Å; L168-V189 HydrophobicContact CD2-CG2 4.19Å; L168-R885 HydrophobicContact CD2-CB 3.61Å; L168-L887 HydrophobicContact CD1-CD2 3.69Å; L168-L887 HydrophobicContact CD1-CG 4.28Å
169H87.3Confident86.8Confident99 Ų9919.5 Ų19.546%0.45811%0.105SC..Hα-helixtrans-69.8-34.9174.2-64.2159.4000112.3L165 C166 D167 Q172 A173L165-H169 PolarHBondContact O-CD2 3.05Å; L165-H169 PolarHBondContact O-N 3.47Å; L165-H169 PolarHBondContact O-ND1 2.71Å; C166-H169 PolarHBondContact O-N 2.71Å; D167-H169 VanDerWaalsContact C-N 3.3Å; D167-H169 PolarHBondContact O-N 2.91Å; H169-Q172 WeakPolarHBondContact O-CB 3.36Å; H169-Q172 PolarHBondContact O-N 2.9Å; H169-A173 PolarHBondContact O-N 3.02Å
170G85.2Confident86.5Confident0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-64.8-47.717300000111.8C166 D167 Q172 A173 Y174 H333C166-G170 PolarHBondContact O-N 2.97Å; D167-G170 WeakPolarHBondContact O-CA 3.46Å; D167-G170 PolarHBondContact O-N 3.4Å; G170-Q172 VanDerWaalsContact C-N 3.27Å; G170-Q172 PolarHBondContact O-N 3.35Å; G170-A173 WeakPolarHBondContact O-CB 3.34Å; G170-A173 PolarHBondContact O-N 3.36Å; G170-A173 VanDerWaalsContact O-N 3.12Å; G170-Y174 WeakPolarHBondContact O-CD2 3.48Å; G170-Y174 PolarHBondContact O-N 3.34Å; G170-H333 WeakPolarHBondContact CA-ND1 3.3Å; G170-H333 PolarHBondContact N-CE1 3.13Å; G170-H333 VanDerWaalsContact N-CE1 3.27Å; G170-H333 PolarHBondContact N-ND1 2.66Å
171V89.6Confident86.3Confident8 Ų830.7 Ų30.75%0.04817%0.168CC..Hα-helixtrans-58.2-40.4172.8-179.90000110.6D167 F175 M184 L330 L887D167-V171 WeakPolarHBondContact O-CG2 3.46Å; D167-V171 PolarHBondContact O-N 2.86Å; V171-F175 WeakPolarHBondContact O-CB 3.4Å; V171-F175 PolarHBondContact O-N 2.9Å; V171-M184 HydrophobicContact CG1-SD 4.49Å; V171-L330 HydrophobicContact CG2-CD1 4.2Å; V171-L887 HydrophobicContact CB-CD2 4.29Å; V171-L887 HydrophobicContact CG1-CD1 4Å; V171-L887 HydrophobicContact CG1-CD2 3.95Å
172Q88.3Confident86.3Confident32 Ų3229.3 Ų29.315%0.1516%0.162CC..Hα-helixtrans-61.6-42.6174.3-178.47058.300112.9L168 H169 G170 F175 N176 L887 Q888L168-Q172 WeakPolarHBondContact O-CB 3.22Å; L168-Q172 PolarHBondContact O-N 2.87Å; H169-Q172 WeakPolarHBondContact O-CB 3.36Å; H169-Q172 PolarHBondContact O-N 2.9Å; G170-Q172 VanDerWaalsContact C-N 3.27Å; G170-Q172 PolarHBondContact O-N 3.35Å; Q172-F175 PolarHBondContact O-N 3.22Å; Q172-N176 PolarHBondContact NE2-OD1 3.12Å; Q172-N176 WeakPolarHBondContact O-CB 3.22Å; Q172-N176 PolarHBondContact O-N 2.87Å; Q172-L887 HydrophobicContact CB-CD2 3.98Å; Q172-Q888 PolarHBondContact NE2-O 3.38Å
173A81.2Confident86.3Confident14 Ų1428 Ų2812%0.11615%0.154CC..Hα-helixtrans-62.6-53.1178.800000110.7H169 G170 F175 N176 A177 L255H169-A173 PolarHBondContact O-N 3.02Å; G170-A173 WeakPolarHBondContact O-CB 3.34Å; G170-A173 PolarHBondContact O-N 3.36Å; G170-A173 VanDerWaalsContact O-N 3.12Å; A173-F175 VanDerWaalsContact C-N 3.28Å; A173-F175 PolarHBondContact O-N 2.75Å; A173-N176 PolarHBondContact O-N 2.8Å; A173-A177 PolarHBondContact O-N 2.96Å; A173-L255 HydrophobicContact CB-CD2 3.93Å; A173-L255 VanDerWaalsContact O-CD2 3.22Å; A173-L255 WeakPolarHBondContact O-CD2 3.4Å
174Y84.5Confident86.2Confident1 Ų127.9 Ų27.90%0.00415%0.153CC..Hα-helixtrans-62.7-34.4176.8-79.9-110.6000112.1G170 A177 D178 P179 L182 M184 T251 F252 T311 I327 L330G170-Y174 WeakPolarHBondContact O-CD2 3.48Å; G170-Y174 PolarHBondContact O-N 3.34Å; Y174-A177 PolarHBondContact O-N 3.35Å; Y174-D178 PolarHBondContact O-N 3.25Å; Y174-D178 VanDerWaalsContact O-N 3.13Å; Y174-P179 WeakPolarHBondContact O-CD 3.44Å; Y174-L182 HydrophobicContact CD1-CD2 4.11Å; Y174-L182 HydrophobicContact CE1-CD2 4.17Å; Y174-M184 WeakPolarHBondContact CB-SD 3.49Å; Y174-T251 HydrophobicContact CD1-CG2 3.67Å; Y174-T251 HydrophobicContact CE1-CG2 4.01Å; Y174-T251 HydrophobicContact CG-CG2 4.33Å; Y174-F252 WeakPolarHBondContact OH-CE2 3.41Å; Y174-T311 PolarHBondContact OH-OG1 2.99Å; Y174-I327 HydrophobicContact CD1-CG2 4.17Å; Y174-I327 HydrophobicContact CE1-CD1 3.7Å; Y174-I327 HydrophobicContact CE1-CG2 4.3Å; Y174-L330 HydrophobicContact CD2-CD1 3.8Å; Y174-L330 HydrophobicContact CD2-CD2 4.26Å; Y174-L330 HydrophobicContact CE2-CD1 4.15Å; Y174-L330 HydrophobicContact CE2-CD2 3.73Å; Y174-L330 HydrophobicContact CG-CD1 4.04Å
175F86.3Confident86.2Confident18 Ų1827.7 Ų27.78%0.07915%0.151CC..Hα-helixtrans-62.5-45173.4-177.5-87.6000112Y87 V171 Q172 A173 D178 M184 L887 F889Y87-F175 HydrophobicContact CE2-CE2 4.39Å; V171-F175 WeakPolarHBondContact O-CB 3.4Å; V171-F175 PolarHBondContact O-N 2.9Å; Q172-F175 PolarHBondContact O-N 3.22Å; A173-F175 VanDerWaalsContact C-N 3.28Å; A173-F175 PolarHBondContact O-N 2.75Å; F175-D178 WeakPolarHBondContact O-CA 3.24Å; F175-D178 PolarHBondContact O-N 3.09Å; F175-D178 VanDerWaalsContact O-N 3.13Å; F175-M184 HydrophobicContact CB-CE 4.2Å; F175-M184 HydrophobicContact CB-SD 4.45Å; F175-M184 HydrophobicContact CD2-CE 4.48Å; F175-L887 HydrophobicContact CB-CD1 4.49Å; F175-L887 HydrophobicContact CD2-CD1 4.19Å; F175-L887 HydrophobicContact CG-CD1 4.3Å; F175-F889 AromaticContact CE1-CD1 3.78Å; F175-F889 HydrophobicContact CE1-CD1 3.78Å; F175-F889 AromaticContact CE1-CE1 3.81Å; F175-F889 HydrophobicContact CE1-CE1 3.81Å; F175-F889 AromaticContact CE2-CE1 3.88Å; F175-F889 HydrophobicContact CE2-CE1 3.88Å; F175-F889 AromaticContact CZ-CD1 3.55Å; F175-F889 HydrophobicContact CZ-CD1 3.55Å; F175-F889 AromaticContact CZ-CE1 3.24Å; F175-F889 HydrophobicContact CZ-CE1 3.24Å; F175-F889 HydrophobicContact CZ-CZ 4.19Å
176N81.2Confident86.2Confident41 Ų4126.2 Ų26.222%0.21914%0.144CC..Hα-helixtrans-67.9-35.1178.8-77.40.6000112.9Q172 A173 D178 K892Q172-N176 PolarHBondContact NE2-OD1 3.12Å; Q172-N176 WeakPolarHBondContact O-CB 3.22Å; Q172-N176 PolarHBondContact O-N 2.87Å; A173-N176 PolarHBondContact O-N 2.8Å; N176-D178 PolarHBondContact O-N 3.23Å; N176-K892 PolarHBondContact O-NZ 2.94Å
177A78.2Confident86.3Confident15 Ų1525.8 Ų25.812%0.12414%0.14CC..Hα-helixtrans-64.8-28.5171.400000112.7A173 Y174 T251 C254 L255A173-A177 PolarHBondContact O-N 2.96Å; Y174-A177 PolarHBondContact O-N 3.35Å; A177-T251 HydrophobicContact CB-CG2 3.93Å; A177-C254 HydrophobicContact CB-CB 4.09Å; A177-L255 HydrophobicContact CB-CD2 3.72Å; A177-L255 HydrophobicContact CB-CG 3.73Å
178D82.2Confident86.5Confident26 Ų2625.3 Ų25.314%0.13914%0.138CC..  trans52.549.1175.3-164.228.3000115.6R66 R70 R79 Y174 F175 N176R66-D178 IonicContact CZ-OD1 2.77Å; R66-D178 IonicContact NH1-OD1 2.9Å; R66-D178 PolarHBondContact NH1-OD1 2.98Å; R66-D178 IonicContact NH2-OD1 3.98Å; R70-D178 IonicContact CZ-OD1 2.61Å; R70-D178 IonicContact CZ-OD2 2.8Å; R70-D178 PolarHBondContact NH1-O 2.86Å; R70-D178 IonicContact NH1-OD1 2.75Å; R70-D178 IonicContact NH1-OD2 3.63Å; R70-D178 PolarHBondContact NH1-OD2 3.5Å; R70-D178 VanDerWaalsContact NH1-OD2 3.09Å; R70-D178 IonicContact NH2-OD1 3.46Å; R79-D178 IonicContact CZ-OD1 3.29Å; R79-D178 IonicContact CZ-OD2 2.8Å; R79-D178 VanDerWaalsContact CZ-OD2 3.27Å; R79-D178 IonicContact NH1-OD1 2.87Å; R79-D178 IonicContact NH1-OD2 3.64Å; R79-D178 PolarHBondContact NH1-OD2 2.83Å; R79-D178 VanDerWaalsContact NH2-CG 3.31Å; R79-D178 IonicContact NH2-OD1 3.55Å; R79-D178 PolarHBondContact NH2-OD1 3.34Å; R79-D178 IonicContact NH2-OD2 3.57Å; R79-D178 PolarHBondContact NH2-OD2 3.45Å; Y174-D178 PolarHBondContact O-N 3.25Å; Y174-D178 VanDerWaalsContact O-N 3.13Å; F175-D178 WeakPolarHBondContact O-CA 3.24Å; F175-D178 PolarHBondContact O-N 3.09Å; F175-D178 VanDerWaalsContact O-N 3.13Å; N176-D178 PolarHBondContact O-N 3.23Å
179P81.9Confident86.7Confident10 Ų1025 Ų257%0.06514%0.136CC..  trans-61.7146.2-173.327.7-37.1000113R66 Y174 L182 T251R66-P179 PolarHBondContact NH2-O 3.4Å; Y174-P179 WeakPolarHBondContact O-CD 3.44Å; P179-L182 HydrophobicContact CB-CB 4.11Å; P179-L182 HydrophobicContact CG-CB 3.9Å; P179-L182 HydrophobicContact CG-CD2 4.17Å; P179-L182 HydrophobicContact CG-CG 4.5Å; P179-T251 HydrophobicContact CB-CG2 3.94Å; P179-T251 WeakPolarHBondContact CB-OG1 3.07Å; P179-T251 HydrophobicContact CG-CG2 3.74Å
180E81.4Confident87Confident146 Ų14620.3 Ų20.368%0.68212%0.115SC*.SBendtrans-75.9140.4170.8-62.9-175.1163.900110.4L182E180-L182 PolarHBondContact O-N 2.97Å
181S84.4Confident87.4Confident93 Ų9321.1 Ų21.165%0.6512%0.119SC*.SBendtrans60.45.4177.3-54.70000117.2
182L87.6Confident87.5Confident3 Ų322 Ų222%0.01612%0.121CC..EExtended strand (participates in β ladder)trans-108.6116.8169.8-167.667.2000110.1R66 Y174 P179 E180 F244 L247 T251 C325 I327R66-L182 PolarHBondContact NH2-O 3.26Å; Y174-L182 HydrophobicContact CD1-CD2 4.11Å; Y174-L182 HydrophobicContact CE1-CD2 4.17Å; P179-L182 HydrophobicContact CB-CB 4.11Å; P179-L182 HydrophobicContact CG-CB 3.9Å; P179-L182 HydrophobicContact CG-CD2 4.17Å; P179-L182 HydrophobicContact CG-CG 4.5Å; E180-L182 PolarHBondContact O-N 2.97Å; L182-F244 HydrophobicContact CD1-CD1 4.36Å; L182-F244 HydrophobicContact CD1-CE1 4.28Å; L182-L247 HydrophobicContact CD1-CB 4.31Å; L182-L247 HydrophobicContact CD1-CD1 4.38Å; L182-T251 WeakPolarHBondContact CD2-OG1 3.11Å; L182-C325 HydrophobicContact CD1-CB 4.45Å; L182-I327 HydrophobicContact CD1-CB 4.2Å; L182-I327 HydrophobicContact CD1-CG2 4.28Å; L182-I327 HydrophobicContact CD2-CG2 4.01Å; L182-I327 HydrophobicContact CG-CG2 4.07Å
183S89.4Confident87.5Confident6 Ų621.9 Ų21.94%0.04212%0.12CC..EExtended strand (participates in β ladder)trans-93.7149.1-178-64.60000111.5Q63 C325 Y326 I327Q63-S183 PolarHBondContact OE1-OG 2.92Å; S183-C325 WeakPolarHBondContact CB-O 3.4Å; S183-C325 PolarHBondContact N-O 3.5Å; S183-Y326 WeakPolarHBondContact O-CA 3.46Å; S183-I327 PolarHBondContact O-N 3.28Å; S183-I327 VanDerWaalsContact O-N 3.15Å
184M88.1Confident87.8Confident3 Ų321.6 Ų21.62%0.01512%0.119CC..  trans-133.4148.9176.9-72.2170.4-7300109.2Q63 R66 V171 Y174 F175 I327Q63-M184 PolarHBondContact NE2-O 3.41Å; R66-M184 VanDerWaalsContact CZ-CE 3.46Å; V171-M184 HydrophobicContact CG1-SD 4.49Å; Y174-M184 WeakPolarHBondContact CB-SD 3.49Å; F175-M184 HydrophobicContact CB-CE 4.2Å; F175-M184 HydrophobicContact CB-SD 4.45Å; F175-M184 HydrophobicContact CD2-CE 4.48Å; M184-I327 HydrophobicContact CG-CG2 4.25Å
185L89.9Confident88Confident6 Ų623.5 Ų23.53%0.03113%0.126CC..  trans-76.9149.5172.2-60179.9000111.1T187 S201 I203 Y326 L328L185-T187 PolarHBondContact O-N 2.86Å; L185-T187 PolarHBondContact O-OG1 2.59Å; L185-S201 WeakPolarHBondContact CA-OG 3.11Å; L185-I203 HydrophobicContact CD1-CD1 4.21Å; L185-I203 HydrophobicContact CD1-CG1 4.02Å; L185-I203 HydrophobicContact CD2-CG1 3.69Å; L185-I203 HydrophobicContact CG-CG1 4.32Å; L185-Y326 HydrophobicContact CD2-CD1 4Å; L185-Y326 HydrophobicContact CD2-CE1 4.11Å; L185-L328 HydrophobicContact CD1-CD2 3.44Å; L185-L328 VanDerWaalsContact CD1-CD2 3.44Å; L185-L328 HydrophobicContact CG-CD2 3.77Å
186A91.3Very high88.2Confident0 Ų023.3 Ų23.30%013%0.125CC..  trans-66.8119.2167.700000108.2I62 Y87 F90 Q200 S201I62-A186 HydrophobicContact CD1-CB 3.42Å; I62-A186 VanDerWaalsContact CD1-CB 3.42Å; Y87-A186 HydrophobicContact CD1-CB 4.36Å; Y87-A186 HydrophobicContact CE1-CB 3.75Å; F90-A186 HydrophobicContact CD1-CB 3.8Å; F90-A186 HydrophobicContact CD2-CB 4.01Å; F90-A186 HydrophobicContact CE1-CB 3.59Å; F90-A186 HydrophobicContact CE2-CB 3.8Å; F90-A186 HydrophobicContact CG-CB 4.02Å; F90-A186 HydrophobicContact CZ-CB 3.6Å; F90-A186 WeakPolarHBondContact CZ-O 3.43Å; A186-Q200 CarbonylContact O-C 3.6Å; A186-Q200 WeakPolarHBondContact O-CA 3.43Å; A186-S201 PolarHBondContact N-OG 3.15Å; A186-S201 PolarHBondContact O-N 2.93Å
187T93.1Very high88.7Confident3 Ų321.4 Ų21.42%0.01812%0.115CC..EExtended strand (participates in β ladder)trans-123.2132.5-177.2-56.90000110.5L168 L185 Q200L168-T187 HydrophobicContact CD1-CG2 4.08Å; L168-T187 VanDerWaalsContact CD1-O 3.24Å; L168-T187 WeakPolarHBondContact CD1-O 3.44Å; L185-T187 PolarHBondContact O-N 2.86Å; L185-T187 PolarHBondContact O-OG1 2.59Å; T187-Q200 HydrophobicContact CG2-CG 4.02Å
188T94.2Very high89.4Confident0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-143.6149169.9-173.90000110.2F90 V91 A94 C199 V884 R885F90-T188 HydrophobicContact CD1-CG2 4.38Å; F90-T188 HydrophobicContact CE1-CG2 3.76Å; V91-T188 HydrophobicContact CG2-CG2 4.42Å; A94-T188 HydrophobicContact CB-CG2 3.48Å; A94-T188 VanDerWaalsContact CB-CG2 3.48Å; T188-C199 HydrophobicContact CG2-CB 3.72Å; T188-C199 PolarHBondContact N-O 3.31Å; T188-C199 PolarHBondContact O-N 2.73Å; T188-V884 WeakPolarHBondContact OG1-CG1 3.23Å; T188-R885 CarbonylContact C-O 3.52Å; T188-R885 WeakPolarHBondContact CA-O 3.41Å; T188-R885 PolarHBondContact OG1-O 3.01Å
189V95Very high90Very high1 Ų120.2 Ų20.21%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-117.5121.4-179.3179.60000109.2P164 L165 L168 R196 I197 T198 R885P164-V189 HydrophobicContact CB-CG1 4.11Å; P164-V189 HydrophobicContact CB-CG2 3.99Å; P164-V189 WeakPolarHBondContact O-CG2 3.13Å; L165-V189 HydrophobicContact CD2-CB 3.93Å; L165-V189 HydrophobicContact CD2-CG1 3.92Å; L165-V189 HydrophobicContact CD2-CG2 4.14Å; L168-V189 HydrophobicContact CB-CG2 4.27Å; L168-V189 HydrophobicContact CD2-CB 4.49Å; L168-V189 HydrophobicContact CD2-CG2 4.19Å; V189-R196 HydrophobicContact CG1-CG 3.52Å; V189-I197 CarbonylContact C-O 3.52Å; V189-I197 WeakPolarHBondContact CA-O 3.21Å; V189-T198 HydrophobicContact CG2-CG2 4.14Å; V189-R885 HydrophobicContact CB-CB 4.32Å; V189-R885 PolarHBondContact N-O 2.88Å; V189-R885 PolarHBondContact O-N 2.97Å
190V94.5Very high90.5Very high0 Ų021.3 Ų21.30%011%0.111CC..EExtended strand (participates in β ladder)trans-109.9126.6-179-176.20000109.5A98 R196 I197 P882 V884A98-V190 HydrophobicContact CB-CB 3.88Å; A98-V190 HydrophobicContact CB-CG1 3.84Å; A98-V190 HydrophobicContact CB-CG2 4.11Å; V190-R196 WeakPolarHBondContact O-CA 3.13Å; V190-I197 PolarHBondContact N-O 2.97Å; V190-I197 PolarHBondContact O-N 3.29Å; V190-P882 HydrophobicContact CG1-CB 3.81Å; V190-V884 HydrophobicContact CG2-CG1 4.5Å; V190-V884 HydrophobicContact CG2-CG2 4.48Å
191E93.2Very high90.9Very high18 Ų1814.4 Ų14.48%0.0848%0.079CC..EExtended strand (participates in β ladder)trans-102123.2167.4-69.7179.3-145.600110.1Y195 R196 K719 R723 P882 L883E191-Y195 CarbonylContact C-O 3.56Å; E191-Y195 VanDerWaalsContact CA-O 3.25Å; E191-Y195 WeakPolarHBondContact CA-O 3.43Å; E191-R196 HydrophobicContact CG-CB 4.18Å; E191-R196 HydrophobicContact CG-CG 4.19Å; E191-R196 IonicContact OE1-CZ 2.67Å; E191-R196 IonicContact OE1-NE 2.64Å; E191-R196 PolarHBondContact OE1-NE 2.95Å; E191-R196 IonicContact OE1-NH2 2.65Å; E191-R196 PolarHBondContact OE1-NH2 3.08Å; E191-K719 IonicContact OE1-NZ 2.84Å; E191-K719 VanDerWaalsContact OE2-CE 3.23Å; E191-K719 WeakPolarHBondContact OE2-CE 3.42Å; E191-K719 IonicContact OE2-NZ 2.91Å; E191-K719 PolarHBondContact OE2-NZ 3.47Å; E191-R723 VanDerWaalsContact CD-NH2 3.28Å; E191-R723 IonicContact OE1-NH2 3.99Å; E191-R723 PolarHBondContact OE1-NH2 3.33Å; E191-R723 IonicContact OE2-CZ 3.5Å; E191-R723 IonicContact OE2-NE 3.93Å; E191-R723 IonicContact OE2-NH2 2.71Å; E191-R723 PolarHBondContact OE2-NH2 3.41Å; E191-P882 CarbonylContact O-C 3.58Å; E191-P882 WeakPolarHBondContact O-CA 2.95Å; E191-L883 HydrophobicContact CB-CB 4.27Å; E191-L883 PolarHBondContact N-O 3.33Å; E191-L883 PolarHBondContact O-N 2.83Å
192Y92.3Very high91Very high25 Ų2511.7 Ų11.710%0.0986%0.058CC..EExtended strand (participates in β ladder)trans-151140.3177.9-179.4-116.1000110.6I99 I102 G194 Y195 M880 P882I99-Y192 HydrophobicContact CB-CE1 4.38Å; I99-Y192 HydrophobicContact CG1-CD1 4.23Å; I99-Y192 HydrophobicContact CG1-CE1 4.22Å; I99-Y192 HydrophobicContact CG1-CG 4.48Å; I99-Y192 HydrophobicContact CG2-CE1 4.05Å; I102-Y192 HydrophobicContact CB-CD1 4.01Å; I102-Y192 HydrophobicContact CB-CE1 4.46Å; I102-Y192 HydrophobicContact CD1-CD1 3.69Å; I102-Y192 HydrophobicContact CD1-CG 4.19Å; I102-Y192 HydrophobicContact CG1-CD1 4.46Å; I102-Y192 HydrophobicContact CG2-CD1 3.86Å; I102-Y192 HydrophobicContact CG2-CE1 4.15Å; Y192-G194 PolarHBondContact O-N 3.13Å; Y192-Y195 PolarHBondContact N-O 2.96Å; Y192-Y195 WeakPolarHBondContact O-CB 3.5Å; Y192-Y195 PolarHBondContact O-N 2.91Å; Y192-M880 HydrophobicContact CE2-CB 4.49Å; Y192-M880 HydrophobicContact CE2-CG 4.43Å; Y192-M880 WeakPolarHBondContact CE2-O 3.36Å; Y192-P882 HydrophobicContact CD2-CB 4.2Å; Y192-P882 HydrophobicContact CG-CB 4.47Å
193K87.8Confident90.7Very high30 Ų3011.7 Ų11.713%0.136%0.058CC..THydrogen-bonded Turntrans44.136.6-175.8-68.1179.9171.61780115.5I102 N103 Y195 L726 M880I102-K193 HydrophobicContact CG2-CB 4.05Å; I102-K193 HydrophobicContact CG2-CD 3.94Å; I102-K193 HydrophobicContact CG2-CG 4.45Å; N103-K193 PolarHBondContact OD1-NZ 3.1Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 HydrophobicContact CB-CD2 4.46Å; K193-Y195 WeakPolarHBondContact O-CD2 3.42Å; K193-Y195 PolarHBondContact O-N 3.11Å; K193-L726 HydrophobicContact CB-CD2 4.32Å; K193-M880 HydrophobicContact CB-SD 4.48Å; K193-M880 HydrophobicContact CG-SD 3.94Å
194G86.4Confident90Very high9 Ų912.7 Ų12.79%0.0937%0.065CC..THydrogen-bonded Turntrans83.7-10.6-178.800000115.4Y192 Q727Y192-G194 PolarHBondContact O-N 3.13Å; G194-Q727 PolarHBondContact O-NE2 3.01Å
195Y89Confident88.7Confident41 Ų4115.4 Ų15.416%0.1619%0.094CC..EExtended strand (participates in β ladder)trans-85.5151.8173.2-62.9-84.5000111.2I102 F129 F145 E191 Y192 K193 Q727I102-Y195 HydrophobicContact CG1-CD2 4.37Å; I102-Y195 HydrophobicContact CG1-CG 4.45Å; I102-Y195 HydrophobicContact CG2-CD2 4.08Å; F129-Y195 HydrophobicContact CD1-CE1 4.3Å; F129-Y195 HydrophobicContact CE1-CE1 4.25Å; F145-Y195 AromaticContact CE2-CD1 3.78Å; F145-Y195 HydrophobicContact CE2-CD1 3.78Å; F145-Y195 AromaticContact CE2-CE1 4Å; F145-Y195 HydrophobicContact CE2-CE1 4Å; F145-Y195 AromaticContact CZ-CD1 3.8Å; F145-Y195 HydrophobicContact CZ-CD1 3.8Å; F145-Y195 AromaticContact CZ-CE1 3.85Å; F145-Y195 HydrophobicContact CZ-CE1 3.85Å; E191-Y195 CarbonylContact C-O 3.56Å; E191-Y195 VanDerWaalsContact CA-O 3.25Å; E191-Y195 WeakPolarHBondContact CA-O 3.43Å; Y192-Y195 PolarHBondContact N-O 2.96Å; Y192-Y195 WeakPolarHBondContact O-CB 3.5Å; Y192-Y195 PolarHBondContact O-N 2.91Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 HydrophobicContact CB-CD2 4.46Å; K193-Y195 WeakPolarHBondContact O-CD2 3.42Å; K193-Y195 PolarHBondContact O-N 3.11Å; Y195-Q727 HydrophobicContact CD1-CG 4.4Å; Y195-Q727 HydrophobicContact CD2-CG 4.36Å; Y195-Q727 HydrophobicContact CE1-CG 4.04Å; Y195-Q727 HydrophobicContact CE2-CB 4.5Å; Y195-Q727 HydrophobicContact CE2-CG 3.97Å
196R91.4Very high86.9Confident14 Ų1417.9 Ų17.95%0.05310%0.104CC..EExtended strand (participates in β ladder)trans-121.1129.4169.4178.2178.6-83.1-176.1-3.8108.8G144 F161 P164 V189 V190 E191G144-R196 PolarHBondContact N-O 3.27Å; F161-R196 HydrophobicContact CD2-CB 4.11Å; F161-R196 VanDerWaalsContact CE1-NH1 3.34Å; F161-R196 HydrophobicContact CE2-CB 3.46Å; F161-R196 VanDerWaalsContact CE2-CB 3.46Å; F161-R196 HydrophobicContact CE2-CG 4.42Å; F161-R196 HydrophobicContact CZ-CB 3.84Å; F161-R196 HydrophobicContact CZ-CG 4.46Å; F161-R196 WeakPolarHBondContact O-CD 3.22Å; F161-R196 PolarHBondContact O-NH1 3.19Å; P164-R196 HydrophobicContact CB-CG 4.48Å; V189-R196 HydrophobicContact CG1-CG 3.52Å; V190-R196 WeakPolarHBondContact O-CA 3.13Å; E191-R196 HydrophobicContact CG-CB 4.18Å; E191-R196 HydrophobicContact CG-CG 4.19Å; E191-R196 IonicContact OE1-CZ 2.67Å; E191-R196 IonicContact OE1-NE 2.64Å; E191-R196 PolarHBondContact OE1-NE 2.95Å; E191-R196 IonicContact OE1-NH2 2.65Å; E191-R196 PolarHBondContact OE1-NH2 3.08Å
197I91.7Very high84.7Confident0 Ų019.1 Ų19.10%012%0.117CC..EExtended strand (participates in β ladder)trans-125.6123.9-172.9-51.7-161000109.7A98 V101 I102 F141 S142 L143 V189 V190A98-I197 HydrophobicContact CB-CD1 4.24Å; V101-I197 HydrophobicContact CG1-CD1 4.15Å; I102-I197 HydrophobicContact CD1-CD1 3.48Å; I102-I197 VanDerWaalsContact CD1-CD1 3.48Å; I102-I197 HydrophobicContact CD1-CG1 4.15Å; I102-I197 HydrophobicContact CG1-CD1 3.57Å; F141-I197 HydrophobicContact CB-CG2 3.96Å; F141-I197 HydrophobicContact CD1-CG2 3.94Å; F141-I197 HydrophobicContact CG-CG2 4.47Å; S142-I197 WeakPolarHBondContact O-CA 3.32Å; S142-I197 WeakPolarHBondContact O-CG2 3.48Å; L143-I197 HydrophobicContact CD2-CD1 3.58Å; L143-I197 HydrophobicContact CD2-CG1 3.68Å; V189-I197 CarbonylContact C-O 3.52Å; V189-I197 WeakPolarHBondContact CA-O 3.21Å; V190-I197 PolarHBondContact N-O 2.97Å; V190-I197 PolarHBondContact O-N 3.29Å
198T92.8Very high82.4Confident16 Ų1620 Ų2010%0.09812%0.121CC..EExtended strand (participates in β ladder)trans-79.6126.1163.730.40000109F141 S142 P164 V189F141-T198 WeakPolarHBondContact CA-O 3.28Å; S142-T198 PolarHBondContact N-O 3.45Å; S142-T198 PolarHBondContact O-N 2.92Å; S142-T198 PolarHBondContact O-OG1 3.27Å; S142-T198 VanDerWaalsContact O-OG1 3.13Å; S142-T198 PolarHBondContact OG-OG1 2.79Å; P164-T198 HydrophobicContact CB-CG2 3.55Å; P164-T198 HydrophobicContact CG-CG2 3.8Å; V189-T198 HydrophobicContact CG2-CG2 4.14Å
199C93.8Very high80.2Confident0 Ų020.8 Ų20.80%013%0.126CC..EExtended strand (participates in β ladder)trans-117.4118.2178-42.80000107.8A94 I139 F140 F141 T188A94-C199 HydrophobicContact CB-CB 3.72Å; I139-C199 HydrophobicContact CG2-CB 3.94Å; F140-C199 CarbonylContact O-C 3.53Å; F140-C199 VanDerWaalsContact O-CA 3.28Å; F140-C199 WeakPolarHBondContact O-CA 3.24Å; F141-C199 HydrophobicContact CD1-CB 3.97Å; F141-C199 WeakPolarHBondContact CD1-SG 3.15Å; F141-C199 HydrophobicContact CE1-CB 3.88Å; F141-C199 VanDerWaalsContact CE1-SG 3.58Å; T188-C199 HydrophobicContact CG2-CB 3.72Å; T188-C199 PolarHBondContact N-O 3.31Å; T188-C199 PolarHBondContact O-N 2.73Å
200Q92.9Very high77.6Confident34 Ų3424 Ų2416%0.15914%0.14CC..EExtended strand (participates in β ladder)trans-127.8147.9-174.5-76.4175.7-22.400112.6F140 D167 A186 T187F140-Q200 PolarHBondContact N-O 3.39Å; F140-Q200 PolarHBondContact O-N 3.43Å; D167-Q200 PolarHBondContact OD2-NE2 2.93Å; A186-Q200 CarbonylContact O-C 3.6Å; A186-Q200 WeakPolarHBondContact O-CA 3.43Å; T187-Q200 HydrophobicContact CG2-CG 4.02Å
201S91.2Very high74.8Confident0 Ų026 Ų260%016%0.156CC..EExtended strand (participates in β ladder)trans-68.8155.7168.6600000111.5L185 A186L185-S201 WeakPolarHBondContact CA-OG 3.11Å; A186-S201 PolarHBondContact N-OG 3.15Å; A186-S201 PolarHBondContact O-N 2.93Å
202V85.4Confident72.1Confident36 Ų3627.8 Ų27.822%0.21817%0.169CC..PPolyproline II helixtrans-87.5139.8-178.5179.90000111.8N59 L135 F140 V209N59-V202 VanDerWaalsContact CB-O 3.29Å; N59-V202 WeakPolarHBondContact CB-O 3.39Å; L135-V202 HydrophobicContact CD1-CG2 3.82Å; F140-V202 HydrophobicContact CB-CG2 4.39Å; V202-V209 HydrophobicContact CG1-CB 4.44Å; V202-V209 HydrophobicContact CG1-CG2 4.34Å
203I82.1Confident69.3Low3 Ų326.7 Ų26.72%0.01517%0.165CC..PPolyproline II helixtrans-75.7131.7172.5-64162.6000109.9L185 G205 I208 V209 Y326 L328L185-I203 HydrophobicContact CD1-CD1 4.21Å; L185-I203 HydrophobicContact CD1-CG1 4.02Å; L185-I203 HydrophobicContact CD2-CG1 3.69Å; L185-I203 HydrophobicContact CG-CG1 4.32Å; I203-G205 PolarHBondContact O-N 3.46Å; I203-I208 HydrophobicContact CD1-CG2 4.18Å; I203-V209 HydrophobicContact CB-CG2 4.14Å; I203-V209 HydrophobicContact CD1-CG2 4.09Å; I203-V209 HydrophobicContact CG1-CG2 3.99Å; I203-Y326 HydrophobicContact CG1-CD1 4.42Å; I203-Y326 HydrophobicContact CG1-CG 4.41Å; I203-Y326 HydrophobicContact CG2-CD2 4.15Å; I203-Y326 HydrophobicContact CG2-CE2 4.2Å; I203-L328 HydrophobicContact CD1-CD1 3.75Å; I203-L328 HydrophobicContact CD1-CD2 4.22Å
204P74.9Confident66.6Low28 Ų2832.1 Ų32.118%0.18219%0.185CC..SBendtrans-60.6127.8178.4-27.336.4000114.4N59 K206 N321 D322N59-P204 WeakPolarHBondContact ND2-CD 3.37Å; N59-P204 WeakPolarHBondContact ND2-CG 3.46Å; P204-K206 PolarHBondContact O-N 3Å; P204-N321 PolarHBondContact O-N 2.84Å; P204-D322 HydrophobicContact CB-CB 4.28Å; P204-D322 HydrophobicContact CG-CB 4.33Å
205G59.6Low64.1Low60 Ų6034 Ų3462%0.61920%0.197SC*.SBendtrans68.3-15.9158.400000118.7I203 N321I203-G205 PolarHBondContact O-N 3.46Å; G205-N321 WeakPolarHBondContact CA-ND2 3.35Å; G205-N321 PolarHBondContact O-ND2 3.42Å; G205-N321 VanDerWaalsContact O-ND2 3.08Å
206K51.7Low61.6Low57 Ų5733.8 Ų33.825%0.24820%0.197CC..SBendtrans-92.3129.5160.7-64-162.4176.5167.50109.3P204 I208 I318 I319 N321P204-K206 PolarHBondContact O-N 3Å; K206-I208 HydrophobicContact CB-CB 4.12Å; K206-I208 HydrophobicContact CB-CD1 3.57Å; K206-I208 HydrophobicContact CB-CG1 3.78Å; K206-I208 HydrophobicContact CD-CD1 3.48Å; K206-I208 VanDerWaalsContact CD-CD1 3.48Å; K206-I208 HydrophobicContact CG-CD1 4.15Å; K206-I208 PolarHBondContact O-N 2.93Å; K206-I318 HydrophobicContact CD-CG2 4.44Å; K206-I319 VanDerWaalsContact CD-O 3.26Å; K206-I319 WeakPolarHBondContact CD-O 3.43Å; K206-I319 WeakPolarHBondContact CE-O 3.46Å; K206-I319 PolarHBondContact NZ-O 3.06Å; K206-N321 WeakPolarHBondContact CG-OD1 3.27Å; K206-N321 PolarHBondContact N-OD1 3.09Å
207G45.7Very low59Low26 Ų2637.6 Ų37.627%0.26822%0.219SC..THydrogen-bonded Turntrans-69.953.6171.800000112.6F210 A211G207-F210 CarbonylContact O-C 3.36Å; G207-F210 WeakPolarHBondContact O-CB 3.33Å; G207-A211 PolarHBondContact O-N 2.55Å
208I45.6Very low56.4Low22 Ų2241.2 Ų41.211%0.11324%0.238CC..THydrogen-bonded Turntrans-109.8-24.4-168-79.4177.7000112.8I203 K206 F210 A211 C226 I318I203-I208 HydrophobicContact CD1-CG2 4.18Å; K206-I208 HydrophobicContact CB-CB 4.12Å; K206-I208 HydrophobicContact CB-CD1 3.57Å; K206-I208 HydrophobicContact CB-CG1 3.78Å; K206-I208 HydrophobicContact CD-CD1 3.48Å; K206-I208 VanDerWaalsContact CD-CD1 3.48Å; K206-I208 HydrophobicContact CG-CD1 4.15Å; K206-I208 PolarHBondContact O-N 2.93Å; I208-F210 PolarHBondContact O-N 3.38Å; I208-A211 HydrophobicContact CG2-CB 4.48Å; I208-A211 WeakPolarHBondContact O-CA 3.29Å; I208-A211 WeakPolarHBondContact O-CB 3.5Å; I208-A211 PolarHBondContact O-N 2.96Å; I208-C226 HydrophobicContact CD1-CB 3.61Å; I208-I318 HydrophobicContact CD1-CD1 4.36Å; I208-I318 HydrophobicContact CD1-CG2 3.61Å; I208-I318 HydrophobicContact CG2-CD1 3.43Å; I208-I318 VanDerWaalsContact CG2-CD1 3.43Å; I208-I318 HydrophobicContact CG2-CG2 4.32Å
209V46.5Very low53.9Low17 Ų1750 Ų5010%0.10328%0.275CS..THydrogen-bonded Turntrans-67.7-22.5154.5-173.80000109.9F140 V202 I203 A211F140-V209 HydrophobicContact CB-CG1 3.5Å; F140-V209 VanDerWaalsContact CB-CG1 3.5Å; F140-V209 HydrophobicContact CD1-CG1 3.76Å; F140-V209 HydrophobicContact CD2-CG1 3.61Å; F140-V209 HydrophobicContact CE2-CG1 4.39Å; F140-V209 HydrophobicContact CG-CG1 3.27Å; V202-V209 HydrophobicContact CG1-CB 4.44Å; V202-V209 HydrophobicContact CG1-CG2 4.34Å; I203-V209 HydrophobicContact CB-CG2 4.14Å; I203-V209 HydrophobicContact CD1-CG2 4.09Å; I203-V209 HydrophobicContact CG1-CG2 3.99Å; V209-A211 VanDerWaalsContact C-N 3.34Å
210F42Very low51.3Low69 Ų6956.3 Ų56.330%0.30331%0.308SS..THydrogen-bonded Turntrans-84.89.4161-59.1-105.5000113.2I109 L135 G207 I208 V213 R214I109-F210 HydrophobicContact CD1-CE1 4.37Å; I109-F210 HydrophobicContact CG2-CD1 3.94Å; I109-F210 HydrophobicContact CG2-CE1 3.55Å; L135-F210 HydrophobicContact CD2-CZ 4.29Å; G207-F210 CarbonylContact O-C 3.36Å; G207-F210 WeakPolarHBondContact O-CB 3.33Å; I208-F210 PolarHBondContact O-N 3.38Å; F210-V213 HydrophobicContact CB-CB 4.11Å; F210-V213 HydrophobicContact CD1-CB 4.13Å; F210-V213 HydrophobicContact CD1-CG1 4.17Å; F210-V213 CarbonylContact O-C 3.52Å; F210-V213 WeakPolarHBondContact O-CA 3.47Å; F210-V213 PolarHBondContact O-N 3.13Å; F210-R214 WeakPolarHBondContact O-CB 3.4Å; F210-R214 PolarHBondContact O-N 3.38Å
211A35.5Very low48.6Very low40 Ų4063.7 Ų63.733%0.33134%0.343SS..Hα-helixtrans-55.2-48.6-17800000110.9G207 I208 V209 V213 R214 C215G207-A211 PolarHBondContact O-N 2.55Å; I208-A211 HydrophobicContact CG2-CB 4.48Å; I208-A211 WeakPolarHBondContact O-CA 3.29Å; I208-A211 WeakPolarHBondContact O-CB 3.5Å; I208-A211 PolarHBondContact O-N 2.96Å; V209-A211 VanDerWaalsContact C-N 3.34Å; A211-V213 PolarHBondContact O-N 3.3Å; A211-R214 PolarHBondContact O-N 2.97Å; A211-C215 PolarHBondContact O-N 3.39Å; A211-C215 PolarHBondContact O-SG 3.46Å
212P35.2Very low46.4Very low56 Ų5669.6 Ų69.636%0.36437%0.374SS..Hα-helixtrans-62.5-42172-1730.1000112.5M133 R214 C215 I216M133-P212 HydrophobicContact CE-CB 3.74Å; M133-P212 HydrophobicContact CE-CG 3.7Å; M133-P212 HydrophobicContact SD-CB 3.81Å; M133-P212 HydrophobicContact SD-CG 4.38Å; P212-R214 VanDerWaalsContact C-N 3.33Å; P212-R214 PolarHBondContact O-N 2.86Å; P212-C215 WeakPolarHBondContact O-CB 3.38Å; P212-C215 PolarHBondContact O-N 3.12Å; P212-I216 WeakPolarHBondContact O-CD1 3.43Å; P212-I216 WeakPolarHBondContact O-CG1 3.42Å; P212-I216 PolarHBondContact O-N 3.32Å; P212-I216 VanDerWaalsContact O-N 3.14Å
213V34.5Very low44.4Very low2 Ų273 Ų731%0.01239%0.388CS..Hα-helixtrans-68.1-27.1-177.7-1720000113.4I109 N110 M133 F210 A211 I216 L217I109-V213 HydrophobicContact CB-CG1 4.36Å; I109-V213 HydrophobicContact CG2-CG1 3.83Å; N110-V213 HydrophobicContact CB-CG1 4.43Å; M133-V213 HydrophobicContact CB-CG2 4.19Å; M133-V213 HydrophobicContact CE-CG2 3.48Å; M133-V213 VanDerWaalsContact CE-CG2 3.48Å; M133-V213 HydrophobicContact CG-CG2 4.49Å; M133-V213 HydrophobicContact SD-CG2 3.52Å; M133-V213 VanDerWaalsContact SD-CG2 3.52Å; F210-V213 HydrophobicContact CB-CB 4.11Å; F210-V213 HydrophobicContact CD1-CB 4.13Å; F210-V213 HydrophobicContact CD1-CG1 4.17Å; F210-V213 CarbonylContact O-C 3.52Å; F210-V213 WeakPolarHBondContact O-CA 3.47Å; F210-V213 PolarHBondContact O-N 3.13Å; A211-V213 PolarHBondContact O-N 3.3Å; V213-I216 WeakPolarHBondContact O-CB 3.4Å; V213-I216 PolarHBondContact O-N 3.31Å; V213-L217 HydrophobicContact CG1-CD1 4.21Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 3.13Å
214R31.5Very low42.6Very low144 Ų14479 Ų7954%0.54342%0.416SS..Hα-helixtrans-89.5-30.8178.9-148.4173-173178.54.3111F210 A211 P212 I216 L217 D218F210-R214 WeakPolarHBondContact O-CB 3.4Å; F210-R214 PolarHBondContact O-N 3.38Å; A211-R214 PolarHBondContact O-N 2.97Å; P212-R214 VanDerWaalsContact C-N 3.33Å; P212-R214 PolarHBondContact O-N 2.86Å; R214-I216 PolarHBondContact O-N 2.81Å; R214-L217 PolarHBondContact O-N 3.06Å; R214-D218 WeakPolarHBondContact CG-OD2 3.49Å; R214-D218 IonicContact NE-OD2 2.8Å; R214-D218 PolarHBondContact NE-OD2 2.63Å; R214-D218 PolarHBondContact O-N 3.22Å
215C33.2Very low41.5Very low50 Ų5085.2 Ų85.234%0.33844%0.443SS..Hα-helixtrans-57-26.4159-54.80000113A211 P212 Q223A211-C215 PolarHBondContact O-N 3.39Å; A211-C215 PolarHBondContact O-SG 3.46Å; P212-C215 WeakPolarHBondContact O-CB 3.38Å; P212-C215 PolarHBondContact O-N 3.12Å; C215-Q223 VanDerWaalsContact CA-NE2 3.33Å; C215-Q223 VanDerWaalsContact SG-CD 3.5Å; C215-Q223 PolarHBondContact SG-NE2 3.41Å; C215-Q223 PolarHBondContact SG-OE1 2.9Å
216I36.9Very low41.7Very low35 Ų3584.4 Ų84.418%0.17943%0.427CS..Hα-helixtrans-82.3-32.3-177.8-74.4162000112N110 E113 P212 V213 R214N110-I216 HydrophobicContact CB-CG2 4.35Å; E113-I216 VanDerWaalsContact CD-CG2 3.48Å; E113-I216 HydrophobicContact CG-CG2 3.51Å; E113-I216 WeakPolarHBondContact OE1-CG1 3.37Å; E113-I216 WeakPolarHBondContact OE2-CD1 3.44Å; P212-I216 WeakPolarHBondContact O-CD1 3.43Å; P212-I216 WeakPolarHBondContact O-CG1 3.42Å; P212-I216 PolarHBondContact O-N 3.32Å; P212-I216 VanDerWaalsContact O-N 3.14Å; V213-I216 WeakPolarHBondContact O-CB 3.4Å; V213-I216 PolarHBondContact O-N 3.31Å; R214-I216 PolarHBondContact O-N 2.81Å
217L36.1Very low42.7Very low95 Ų9582.7 Ų82.750%0.49742%0.42SS..Hα-helixtrans-102.3-38.5-172.7-65.2172.2000113.1V213 R214V213-L217 HydrophobicContact CG1-CD1 4.21Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 3.13Å; R214-L217 PolarHBondContact O-N 3.06Å
218D37.8Very low44.3Very low75 Ų7584.1 Ų84.140%0.40142%0.421SS..  trans-110.7111.1-177.9-59-37.4000109.4R214 D220R214-D218 WeakPolarHBondContact CG-OD2 3.49Å; R214-D218 IonicContact NE-OD2 2.8Å; R214-D218 PolarHBondContact NE-OD2 2.63Å; R214-D218 PolarHBondContact O-N 3.22Å; D218-D220 PolarHBondContact O-N 2.97Å
219K38.9Very low46.1Very low202 Ų20283 Ų8388%0.87842%0.416SS*.  trans-79.12.5175.1-81-175.9176176.60113.6
220D40.7Very low47.6Very low131 Ų13182.2 Ų82.270%0.70141%0.411SS*.SBendtrans-106.799.3-165.1-62.1-41.6000113.1D218 D222D218-D220 PolarHBondContact O-N 2.97Å; D220-D222 PolarHBondContact O-N 2.97Å
221Q35.4Very low49.3Very low189 Ų18979 Ų7988%0.88340%0.397SS*.SBendtrans63.5-23.6139.6-62.5-168.5-26.200124.4
222D45.5Very low50.9Low125 Ų12580.1 Ų80.167%0.66840%0.4SS*.  trans-102.914.6-165.4-81.5-28.7000118.5D220D220-D222 PolarHBondContact O-N 2.97Å
223Q42.3Very low52.5Low107 Ų10780.8 Ų80.850%0.540%0.4SS..G310 helixtrans-76.7-25.5-170.6-69.6172.618.500115.8C215 Q225C215-Q223 VanDerWaalsContact CA-NE2 3.33Å; C215-Q223 VanDerWaalsContact SG-CD 3.5Å; C215-Q223 PolarHBondContact SG-NE2 3.41Å; C215-Q223 PolarHBondContact SG-OE1 2.9Å; Q223-Q225 PolarHBondContact O-N 2.73Å
224E45.7Very low54Low129 Ų12983.4 Ų83.460%0.60341%0.411SS*.G310 helixtrans-65.2-23.7-173.8-63.7-168.7157.100113.5C226E224-C226 PolarHBondContact O-N 3.46Å
225Q50.3Low55.6Low159 Ų15976.8 Ų76.874%0.74339%0.387SS*.G310 helixtrans-80.5-8.4-171.2-62-169.28.500115.3Q223Q223-Q225 PolarHBondContact O-N 2.73Å
226C63.8Low57.3Low42 Ų4276.3 Ų76.328%0.28438%0.384SS..G310 helixtrans-92.9-22.8-168.8-82.70000115.6I208 E224I208-C226 HydrophobicContact CD1-CB 3.61Å; E224-C226 PolarHBondContact O-N 3.46Å
227I73.5Confident59Low21 Ų2176 Ų7611%0.10838%0.383CS..  trans-103.9125.6-176.9-80.1159.3000109.8Y229 V232 F239 K316 I318I227-Y229 WeakPolarHBondContact CG2-O 3.44Å; I227-V232 HydrophobicContact CD1-CG2 3.23Å; I227-V232 HydrophobicContact CG1-CG2 4.45Å; I227-F239 HydrophobicContact CG2-CD2 4.24Å; I227-K316 HydrophobicContact CD1-CB 4.42Å; I227-K316 HydrophobicContact CD1-CD 3.98Å; I227-K316 HydrophobicContact CD1-CG 4.09Å; I227-I318 HydrophobicContact CD1-CD1 4.07Å; I227-I318 HydrophobicContact CG1-CD1 3.58Å; I227-I318 HydrophobicContact CG1-CG1 3.64Å
228L79.6Confident60.9Low56 Ų5672.1 Ų72.129%0.29336%0.363SS..  trans-111.1-2.7-171.3-61.7171.4000111.7M240 S241 F244 G317 I319L228-M240 CarbonylContact O-C 3.36Å; L228-S241 WeakPolarHBondContact O-CB 3.09Å; L228-S241 PolarHBondContact O-N 3.28Å; L228-F244 HydrophobicContact CB-CD2 4.01Å; L228-F244 HydrophobicContact CB-CE2 3.95Å; L228-F244 HydrophobicContact CD1-CE2 4.17Å; L228-G317 PolarHBondContact N-O 3.27Å; L228-I319 HydrophobicContact CD1-CB 4.28Å; L228-I319 HydrophobicContact CD1-CD1 3.53Å; L228-I319 HydrophobicContact CD1-CG1 3.76Å
229Y82.2Confident62.8Low0 Ų071.7 Ų71.70%036%0.358CS..BIsolated β-bridgetrans-156.1135-178.7-164.3-87.6000110.7I227 F239 F244 N245 V309 K310 T311 K316 G317I227-Y229 WeakPolarHBondContact CG2-O 3.44Å; Y229-F239 CarbonylContact C-O 3.57Å; Y229-F239 WeakPolarHBondContact CA-O 3.48Å; Y229-F244 HydrophobicContact CD2-CB 3.39Å; Y229-F244 HydrophobicContact CD2-CG 4.38Å; Y229-F244 HydrophobicContact CE2-CB 4.15Å; Y229-F244 HydrophobicContact CG-CB 3.82Å; Y229-F244 HydrophobicContact CG-CG 4.38Å; Y229-N245 HydrophobicContact CE2-CB 4.1Å; Y229-N245 VanDerWaalsContact CE2-OD1 3.25Å; Y229-N245 WeakPolarHBondContact CE2-OD1 3.44Å; Y229-N245 PolarHBondContact OH-OD1 2.86Å; Y229-V309 HydrophobicContact CE1-CG1 3.9Å; Y229-K310 PolarHBondContact OH-N 3.46Å; Y229-T311 HydrophobicContact CE1-CG2 3.64Å; Y229-K316 WeakPolarHBondContact O-CA 3.29Å; Y229-G317 PolarHBondContact N-O 2.71Å; Y229-G317 PolarHBondContact O-N 3.03Å
230G79.4Confident64.8Low0 Ų065.6 Ų65.60%033%0.333CS..BIsolated β-bridgetrans72.7-150.7-179.300000113F239 A313 S315G230-F239 PolarHBondContact N-O 3.13Å; G230-F239 PolarHBondContact O-N 2.77Å; G230-A313 CarbonylContact C-O 3.57Å; G230-A313 WeakPolarHBondContact CA-O 3.44Å; G230-S315 WeakPolarHBondContact CA-O 3.26Å
231S76.1Confident66.8Low1 Ų161 Ų611%0.00731%0.311CS..  trans-134.1145.1-166.7-165.30000113.8D233 G235 N237 A313 K316S231-D233 PolarHBondContact OG-N 3.22Å; S231-G235 WeakPolarHBondContact OG-CA 3.48Å; S231-G235 PolarHBondContact OG-N 3.04Å; S231-N237 WeakPolarHBondContact CA-O 3.43Å; S231-N237 VanDerWaalsContact CB-O 3.22Å; S231-N237 WeakPolarHBondContact CB-O 3.15Å; S231-N237 PolarHBondContact OG-O 2.76Å; S231-A313 WeakPolarHBondContact CB-O 3.36Å; S231-A313 PolarHBondContact N-O 3.01Å; S231-K316 WeakPolarHBondContact O-CE 3.21Å
232V70.4Confident69.1Low64 Ų6457 Ų5739%0.38830%0.297SS..SBendtrans-85.1-41.9162.8-177.70000110.5I227 F234I227-V232 HydrophobicContact CD1-CG2 3.23Å; I227-V232 HydrophobicContact CG1-CG2 4.45Å; V232-F234 VanDerWaalsContact C-N 3.28Å; V232-F234 PolarHBondContact O-N 3.33Å
233D69.5Low71Confident69 Ų6957 Ų5737%0.36929%0.287SS..SBendtrans-96.740.7-165.1-45.5-40.2000111.1S231 G235 C236 N237S231-D233 PolarHBondContact OG-N 3.22Å; D233-G235 PolarHBondContact O-N 3.05Å; D233-C236 HydrophobicContact CB-CB 3.95Å; D233-C236 PolarHBondContact O-N 3.16Å; D233-C236 VanDerWaalsContact O-N 3.07Å; D233-N237 PolarHBondContact OD2-ND2 2.81Å
234F65.6Low73Confident58 Ų5852 Ų5225%0.25426%0.263SS..THydrogen-bonded Turntrans52.622.4178.6-59.4-86.9000115.9H150 V232 V617H150-F234 HydrophobicContact CB-CZ 3.91Å; H150-F234 AromaticContact CG-CZ 3.94Å; V232-F234 VanDerWaalsContact C-N 3.28Å; V232-F234 PolarHBondContact O-N 3.33Å; F234-V617 HydrophobicContact CB-CB 4.22Å; F234-V617 HydrophobicContact CB-CG1 3.92Å; F234-V617 HydrophobicContact CB-CG2 4.21Å; F234-V617 WeakPolarHBondContact O-CB 3.47Å; F234-V617 WeakPolarHBondContact O-CG1 3.27Å
235G64.2Low74.7Confident4 Ų446.1 Ų46.14%0.04124%0.236CC..THydrogen-bonded Turntrans111.5-3.1179.600000115.5S231 D233 V238S231-G235 WeakPolarHBondContact OG-CA 3.48Å; S231-G235 PolarHBondContact OG-N 3.04Å; D233-G235 PolarHBondContact O-N 3.05Å; G235-V238 WeakPolarHBondContact O-CG2 3.31Å
236C69.4Low76.3Confident40 Ų4044.4 Ų44.427%0.2723%0.228SC..SBendtrans-61.2-58.6172-75.70000111.1D233 S301 E302D233-C236 HydrophobicContact CB-CB 3.95Å; D233-C236 PolarHBondContact O-N 3.16Å; D233-C236 VanDerWaalsContact O-N 3.07Å; C236-S301 PolarHBondContact O-OG 3.18Å; C236-E302 HydrophobicContact CB-CB 4.32Å; C236-E302 WeakPolarHBondContact CB-OE2 3.29Å; C236-E302 PolarHBondContact O-N 2.64Å; C236-E302 PolarHBondContact SG-OE2 3.12Å
237N72.5Confident77.3Confident28 Ų2843.2 Ų43.215%0.1522%0.219CC..SBendtrans-102.8115170.7-63.5-60.5000109.3S231 D233 F239S231-N237 WeakPolarHBondContact CA-O 3.43Å; S231-N237 VanDerWaalsContact CB-O 3.22Å; S231-N237 WeakPolarHBondContact CB-O 3.15Å; S231-N237 PolarHBondContact OG-O 2.76Å; D233-N237 PolarHBondContact OD2-ND2 2.81Å; N237-F239 HydrophobicContact CB-CE2 4.05Å; N237-F239 HydrophobicContact CB-CZ 4.34Å
238V75.7Confident77.5Confident14 Ų1442.2 Ų42.29%0.08521%0.214CC..  trans-113.7119.8176.8-174.60000108.7G235 V299 V307 V309G235-V238 WeakPolarHBondContact O-CG2 3.31Å; V238-V299 HydrophobicContact CG2-CG1 3.98Å; V238-V307 HydrophobicContact CB-CG2 4.47Å; V238-V307 HydrophobicContact CG1-CB 4.31Å; V238-V307 HydrophobicContact CG1-CG1 4Å; V238-V309 HydrophobicContact CG1-CG2 3.91Å
239F78.3Confident77.4Confident66 Ų6642.4 Ų42.429%0.28922%0.215SC..BIsolated β-bridgetrans-96.5149.9177.1-60.5-84.7000110.4I227 Y229 G230 N237I227-F239 HydrophobicContact CG2-CD2 4.24Å; Y229-F239 CarbonylContact C-O 3.57Å; Y229-F239 WeakPolarHBondContact CA-O 3.48Å; G230-F239 PolarHBondContact N-O 3.13Å; G230-F239 PolarHBondContact O-N 2.77Å; N237-F239 HydrophobicContact CB-CE2 4.05Å; N237-F239 HydrophobicContact CB-CZ 4.34Å
240M79.6Confident76.9Confident74 Ų7448.9 Ų48.937%0.36524%0.243SC..  trans-144.8129.3176.8-171.7-72.7-69.200109.2L228 N245 V307L228-M240 CarbonylContact O-C 3.36Å; M240-N245 VanDerWaalsContact CG-ND2 3.29Å; M240-N245 WeakPolarHBondContact CG-ND2 3.08Å; M240-N245 HydrophobicContact SD-CB 4.08Å; M240-N245 PolarHBondContact SD-ND2 3.2Å; M240-V307 HydrophobicContact CB-CG1 3.51Å; M240-V307 HydrophobicContact CG-CG1 4.19Å
241S83.5Confident76.6Confident34 Ų3448.9 Ų48.924%0.23824%0.243CC..  trans-120.6127.2173.3172.40000108.1L228 R243 F244 N245L228-S241 WeakPolarHBondContact O-CB 3.09Å; L228-S241 PolarHBondContact O-N 3.28Å; S241-R243 PolarHBondContact O-N 2.67Å; S241-R243 VanDerWaalsContact O-N 3.14Å; S241-F244 PolarHBondContact O-N 3.48Å; S241-N245 PolarHBondContact O-N 3.38Å
242D83.9Confident76Confident107 Ų10749.4 Ų49.457%0.57225%0.245SC*.Hα-helixtrans-54.6-36.2-179.1-59.6-48.9000112.1N245 Q246D242-N245 PolarHBondContact O-N 3.12Å; D242-Q246 WeakPolarHBondContact O-CB 3.16Å; D242-Q246 VanDerWaalsContact O-CG 3.28Å; D242-Q246 WeakPolarHBondContact O-CG 3.45Å; D242-Q246 PolarHBondContact O-N 2.84Å
243R85.7Confident75.3Confident125 Ų12549.6 Ų49.647%0.47225%0.249SC..Hα-helixtrans-59.1-48.6175.3-175.9177.8177.5-165.6-5.8111.5S241 L247 C325S241-R243 PolarHBondContact O-N 2.67Å; S241-R243 VanDerWaalsContact O-N 3.14Å; R243-L247 HydrophobicContact CG-CD1 4.37Å; R243-L247 VanDerWaalsContact O-CG 3.26Å; R243-L247 WeakPolarHBondContact O-CG 2.91Å; R243-L247 PolarHBondContact O-N 2.81Å; R243-L247 VanDerWaalsContact O-N 3.15Å; R243-C325 PolarHBondContact NE-SG 3.42Å; R243-C325 VanDerWaalsContact NE-SG 3.45Å; R243-C325 PolarHBondContact NH2-SG 2.93Å
244F84.2Confident74.7Confident0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-67.6-42175.7-86.6-81.6000111.5L182 L228 Y229 S241 Q246 L247 V248 I318 I319 C325 Y326L182-F244 HydrophobicContact CD1-CD1 4.36Å; L182-F244 HydrophobicContact CD1-CE1 4.28Å; L228-F244 HydrophobicContact CB-CD2 4.01Å; L228-F244 HydrophobicContact CB-CE2 3.95Å; L228-F244 HydrophobicContact CD1-CE2 4.17Å; Y229-F244 HydrophobicContact CD2-CB 3.39Å; Y229-F244 HydrophobicContact CD2-CG 4.38Å; Y229-F244 HydrophobicContact CE2-CB 4.15Å; Y229-F244 HydrophobicContact CG-CB 3.82Å; Y229-F244 HydrophobicContact CG-CG 4.38Å; S241-F244 PolarHBondContact O-N 3.48Å; F244-Q246 VanDerWaalsContact C-N 3.3Å; F244-Q246 PolarHBondContact O-N 2.83Å; F244-L247 PolarHBondContact O-N 3.33Å; F244-V248 WeakPolarHBondContact O-CB 3.25Å; F244-V248 VanDerWaalsContact O-CG2 3.27Å; F244-V248 WeakPolarHBondContact O-CG2 3.14Å; F244-V248 PolarHBondContact O-N 3.12Å; F244-I318 VanDerWaalsContact CZ-N 3.26Å; F244-I319 HydrophobicContact CE2-CG1 4.01Å; F244-I319 HydrophobicContact CZ-CG1 4.3Å; F244-C325 HydrophobicContact CE1-CB 3.74Å; F244-C325 HydrophobicContact CE2-CB 4.41Å; F244-C325 HydrophobicContact CZ-CB 3.64Å; F244-Y326 WeakPolarHBondContact CE1-O 3.41Å
245N81.8Confident74.1Confident6 Ų649 Ų493%0.03225%0.253CS..Hα-helixtrans-61.4-38.6-179.6-123.2-4.2000111.9Y229 M240 S241 D242 L249 L308 K310Y229-N245 HydrophobicContact CE2-CB 4.1Å; Y229-N245 VanDerWaalsContact CE2-OD1 3.25Å; Y229-N245 WeakPolarHBondContact CE2-OD1 3.44Å; Y229-N245 PolarHBondContact OH-OD1 2.86Å; M240-N245 VanDerWaalsContact CG-ND2 3.29Å; M240-N245 WeakPolarHBondContact CG-ND2 3.08Å; M240-N245 HydrophobicContact SD-CB 4.08Å; M240-N245 PolarHBondContact SD-ND2 3.2Å; S241-N245 PolarHBondContact O-N 3.38Å; D242-N245 PolarHBondContact O-N 3.12Å; N245-L249 WeakPolarHBondContact O-CB 3.34Å; N245-L249 PolarHBondContact O-N 3.11Å; N245-L308 PolarHBondContact ND2-O 3.29Å; N245-K310 HydrophobicContact CB-CD 4.4Å; N245-K310 WeakPolarHBondContact O-CD 3.47Å; N245-K310 VanDerWaalsContact OD1-CD 3.27Å; N245-K310 WeakPolarHBondContact OD1-CD 3.18Å; N245-K310 VanDerWaalsContact OD1-CG 3.28Å; N245-K310 WeakPolarHBondContact OD1-CG 3.4Å
246Q82.9Confident73.3Confident123 Ų12354 Ų5458%0.57528%0.275SS*.Hα-helixtrans-67.7-43.9173.2-71.8176.114.200112.9D242 F244 L249 K250D242-Q246 WeakPolarHBondContact O-CB 3.16Å; D242-Q246 VanDerWaalsContact O-CG 3.28Å; D242-Q246 WeakPolarHBondContact O-CG 3.45Å; D242-Q246 PolarHBondContact O-N 2.84Å; F244-Q246 VanDerWaalsContact C-N 3.3Å; F244-Q246 PolarHBondContact O-N 2.83Å; Q246-L249 PolarHBondContact O-N 2.89Å; Q246-K250 WeakPolarHBondContact O-CG 3.33Å; Q246-K250 PolarHBondContact O-N 3.37Å
247L84.5Confident71.6Confident18 Ų1854 Ų549%0.09428%0.275CS..Hα-helixtrans-64.1-42.5177.8-70.5172000111.8L182 R243 F244 K250 T251 C325L182-L247 HydrophobicContact CD1-CB 4.31Å; L182-L247 HydrophobicContact CD1-CD1 4.38Å; R243-L247 HydrophobicContact CG-CD1 4.37Å; R243-L247 VanDerWaalsContact O-CG 3.26Å; R243-L247 WeakPolarHBondContact O-CG 2.91Å; R243-L247 PolarHBondContact O-N 2.81Å; R243-L247 VanDerWaalsContact O-N 3.15Å; F244-L247 PolarHBondContact O-N 3.33Å; L247-K250 PolarHBondContact O-N 3.18Å; L247-T251 PolarHBondContact O-N 3.15Å; L247-T251 PolarHBondContact O-OG1 3.34Å; L247-C325 HydrophobicContact CD1-CB 3.94Å
248V79.6Confident69.9Low0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-63.5-46.4175.6172.40000110.3F244 K250 T251 F252 K310 T311 I327F244-V248 WeakPolarHBondContact O-CB 3.25Å; F244-V248 VanDerWaalsContact O-CG2 3.27Å; F244-V248 WeakPolarHBondContact O-CG2 3.14Å; F244-V248 PolarHBondContact O-N 3.12Å; V248-K250 PolarHBondContact O-N 3.11Å; V248-T251 WeakPolarHBondContact O-CA 3.39Å; V248-T251 WeakPolarHBondContact O-CB 3.33Å; V248-T251 PolarHBondContact O-N 3.32Å; V248-F252 HydrophobicContact CG1-CD2 3.68Å; V248-F252 HydrophobicContact CG1-CE2 3.61Å; V248-F252 WeakPolarHBondContact O-CD2 3.43Å; V248-F252 PolarHBondContact O-N 2.91Å; V248-K310 HydrophobicContact CG1-CB 3.9Å; V248-T311 HydrophobicContact CG1-CG2 4.25Å; V248-I327 HydrophobicContact CG2-CD1 4.07Å
249L75.8Confident67.9Low60 Ų6059.3 Ų59.331%0.31431%0.305SS..Hα-helixtrans-59-47.6177.5-161.7159.4000111.6N245 Q246 T251 F252 S253 L294 K310N245-L249 WeakPolarHBondContact O-CB 3.34Å; N245-L249 PolarHBondContact O-N 3.11Å; Q246-L249 PolarHBondContact O-N 2.89Å; L249-T251 PolarHBondContact O-N 3.06Å; L249-F252 PolarHBondContact O-N 3.03Å; L249-F252 VanDerWaalsContact O-N 3.15Å; L249-S253 PolarHBondContact O-N 3.14Å; L249-L294 HydrophobicContact CD2-CB 4.46Å; L249-L294 HydrophobicContact CD2-CD1 3.84Å; L249-L294 HydrophobicContact CG-CB 4.13Å; L249-L294 HydrophobicContact CG-CD1 3.82Å; L249-L294 WeakPolarHBondContact O-CD1 3.36Å; L249-K310 HydrophobicContact CB-CD 3.91Å; L249-K310 HydrophobicContact CD1-CD 3.87Å; L249-K310 HydrophobicContact CG-CD 4.23Å
250K73.3Confident65.7Low136 Ų13663.8 Ų63.859%0.59132%0.321SS*.Hα-helixtrans-58-36.6173.5-73.3178.9177.6-174.70112.7Q246 L247 V248 S253 C254Q246-K250 WeakPolarHBondContact O-CG 3.33Å; Q246-K250 PolarHBondContact O-N 3.37Å; L247-K250 PolarHBondContact O-N 3.18Å; V248-K250 PolarHBondContact O-N 3.11Å; K250-S253 PolarHBondContact O-OG 3.35Å; K250-C254 PolarHBondContact O-SG 3.29Å
251T71.8Confident63.3Low0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-66.3-43.3176.6-51.60000111.3Y174 A177 P179 L182 L247 V248 L249 C254 L255Y174-T251 HydrophobicContact CD1-CG2 3.67Å; Y174-T251 HydrophobicContact CE1-CG2 4.01Å; Y174-T251 HydrophobicContact CG-CG2 4.33Å; A177-T251 HydrophobicContact CB-CG2 3.93Å; P179-T251 HydrophobicContact CB-CG2 3.94Å; P179-T251 WeakPolarHBondContact CB-OG1 3.07Å; P179-T251 HydrophobicContact CG-CG2 3.74Å; L182-T251 WeakPolarHBondContact CD2-OG1 3.11Å; L247-T251 PolarHBondContact O-N 3.15Å; L247-T251 PolarHBondContact O-OG1 3.34Å; V248-T251 WeakPolarHBondContact O-CA 3.39Å; V248-T251 WeakPolarHBondContact O-CB 3.33Å; V248-T251 PolarHBondContact O-N 3.32Å; L249-T251 PolarHBondContact O-N 3.06Å; T251-C254 WeakPolarHBondContact O-CB 3.19Å; T251-C254 PolarHBondContact O-N 3.5Å; T251-C254 VanDerWaalsContact O-N 3.16Å; T251-L255 HydrophobicContact CG2-CD1 4.15Å; T251-L255 HydrophobicContact CG2-CG 4.4Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 3.24Å
252F64.9Low60.6Low12 Ų1264.3 Ų64.35%0.05333%0.327CS..Hα-helixtrans-71.4-30.1-179.1-83.4-80.9000114.1Y174 V248 L249 C254 L255 H256 L294 K310Y174-F252 WeakPolarHBondContact OH-CE2 3.41Å; V248-F252 HydrophobicContact CG1-CD2 3.68Å; V248-F252 HydrophobicContact CG1-CE2 3.61Å; V248-F252 WeakPolarHBondContact O-CD2 3.43Å; V248-F252 PolarHBondContact O-N 2.91Å; L249-F252 PolarHBondContact O-N 3.03Å; L249-F252 VanDerWaalsContact O-N 3.15Å; F252-C254 PolarHBondContact O-N 2.94Å; F252-L255 HydrophobicContact CB-CD1 4.5Å; F252-L255 HydrophobicContact CD1-CB 4.24Å; F252-L255 HydrophobicContact CD1-CD1 3.43Å; F252-L255 VanDerWaalsContact CD1-CD1 3.43Å; F252-L255 HydrophobicContact CD1-CG 4.43Å; F252-L255 HydrophobicContact CD2-CD1 4.35Å; F252-L255 HydrophobicContact CE1-CD1 3.6Å; F252-L255 HydrophobicContact CE2-CD1 4.45Å; F252-L255 HydrophobicContact CG-CD1 3.84Å; F252-L255 HydrophobicContact CZ-CD1 4.11Å; F252-L255 PolarHBondContact O-N 3.4Å; F252-L255 VanDerWaalsContact O-N 3.16Å; F252-H256 AromaticContact CD1-CD2 3.78Å; F252-H256 AromaticContact CD1-NE2 3.63Å; F252-H256 PolarHBondContact O-N 2.89Å; F252-L294 HydrophobicContact CB-CD1 3.38Å; F252-L294 HydrophobicContact CB-CD2 3.43Å; F252-L294 VanDerWaalsContact CB-CD2 3.43Å; F252-L294 HydrophobicContact CB-CG 3.91Å; F252-L294 HydrophobicContact CD1-CD2 4.49Å; F252-L294 HydrophobicContact CD2-CD2 4.45Å; F252-L294 HydrophobicContact CG-CD2 3.92Å; F252-K310 VanDerWaalsContact CE2-O 3.28Å; F252-K310 WeakPolarHBondContact CE2-O 3.32Å
253S55.4Low57.9Low67 Ų6762.7 Ų62.747%0.46932%0.315SS..Hα-helixtrans-65.2-23.1171.962.60000112L249 K250 S257L249-S253 PolarHBondContact O-N 3.14Å; K250-S253 PolarHBondContact O-OG 3.35Å; S253-S257 WeakPolarHBondContact O-CB 2.91Å; S253-S257 PolarHBondContact O-N 3.4Å
254C56.2Low55.1Low67 Ų6761.7 Ų61.745%0.45333%0.327SS..Hα-helixtrans-82.1-41.6166.9-59.40000113.1A177 K250 T251 F252 H256 S257A177-C254 HydrophobicContact CB-CB 4.09Å; K250-C254 PolarHBondContact O-SG 3.29Å; T251-C254 WeakPolarHBondContact O-CB 3.19Å; T251-C254 PolarHBondContact O-N 3.5Å; T251-C254 VanDerWaalsContact O-N 3.16Å; F252-C254 PolarHBondContact O-N 2.94Å; C254-H256 PolarHBondContact O-N 2.99Å; C254-S257 WeakPolarHBondContact O-CB 3.44Å; C254-S257 PolarHBondContact O-N 3.06Å
255L52.5Low52.5Low49 Ų4970.2 Ų70.226%0.25736%0.36SS..Hα-helixtrans-60.1-40.6178.8-74.1165.3000113.2A173 A177 T251 F252A173-L255 HydrophobicContact CB-CD2 3.93Å; A173-L255 VanDerWaalsContact O-CD2 3.22Å; A173-L255 WeakPolarHBondContact O-CD2 3.4Å; A177-L255 HydrophobicContact CB-CD2 3.72Å; A177-L255 HydrophobicContact CB-CG 3.73Å; T251-L255 HydrophobicContact CG2-CD1 4.15Å; T251-L255 HydrophobicContact CG2-CG 4.4Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 3.24Å; F252-L255 HydrophobicContact CB-CD1 4.5Å; F252-L255 HydrophobicContact CD1-CB 4.24Å; F252-L255 HydrophobicContact CD1-CD1 3.43Å; F252-L255 VanDerWaalsContact CD1-CD1 3.43Å; F252-L255 HydrophobicContact CD1-CG 4.43Å; F252-L255 HydrophobicContact CD2-CD1 4.35Å; F252-L255 HydrophobicContact CE1-CD1 3.6Å; F252-L255 HydrophobicContact CE2-CD1 4.45Å; F252-L255 HydrophobicContact CG-CD1 3.84Å; F252-L255 HydrophobicContact CZ-CD1 4.11Å; F252-L255 PolarHBondContact O-N 3.4Å; F252-L255 VanDerWaalsContact O-N 3.16Å
256H47.1Very low49.9Very low107 Ų10774 Ų7450%0.49538%0.383SS..THydrogen-bonded Turntrans-100.510.6-179.6-64.6-60.7000113.1F252 C254 P258F252-H256 AromaticContact CD1-CD2 3.78Å; F252-H256 AromaticContact CD1-NE2 3.63Å; F252-H256 PolarHBondContact O-N 2.89Å; C254-H256 PolarHBondContact O-N 2.99Å; H256-P258 VanDerWaalsContact O-CD 3.32Å; H256-P258 WeakPolarHBondContact O-CD 3.48Å
257S35.4Very low47.2Very low40 Ų4073.6 Ų73.628%0.2839%0.391SS..  trans-62.8119.4178.1-163.80000109.8S253 C254 N259S253-S257 WeakPolarHBondContact O-CB 2.91Å; S253-S257 PolarHBondContact O-N 3.4Å; C254-S257 WeakPolarHBondContact O-CB 3.44Å; C254-S257 PolarHBondContact O-N 3.06Å; S257-N259 PolarHBondContact O-N 2.81Å
258P36.6Very low44.3Very low38 Ų3882.5 Ų82.525%0.24742%0.423CS..G310 helixtrans-76.327.3-173.829.2-31.6000113.6H256 R260 L261 C289H256-P258 VanDerWaalsContact O-CD 3.32Å; H256-P258 WeakPolarHBondContact O-CD 3.48Å; P258-R260 PolarHBondContact O-N 2.87Å; P258-R260 VanDerWaalsContact O-N 3.12Å; P258-L261 HydrophobicContact CB-CB 4.14Å; P258-L261 HydrophobicContact CB-CD1 4.12Å; P258-L261 CarbonylContact O-C 3.19Å; P258-L261 WeakPolarHBondContact O-CA 3.31Å; P258-L261 WeakPolarHBondContact O-CB 3.3Å; P258-L261 PolarHBondContact O-N 3.21Å; P258-C289 WeakPolarHBondContact CG-O 3.09Å
259N33Very low41.8Very low116 Ų11686 Ų8662%0.6245%0.446SS*.G310 helixtrans-65.9-9.1175.4-72.6-16000113.6S257S257-N259 PolarHBondContact O-N 2.81Å
260R32.1Very low39.4Very low161 Ų16190.4 Ų90.461%0.60847%0.469SS*.G310 helixtrans-89.3-17.7164.6-71-173.5175.7-168.7-2.1113.7P258 C262 E890P258-R260 PolarHBondContact O-N 2.87Å; P258-R260 VanDerWaalsContact O-N 3.12Å; R260-C262 PolarHBondContact O-N 3.02Å; R260-C262 VanDerWaalsContact O-N 3.17Å; R260-E890 IonicContact NH2-OE1 2.84Å; R260-E890 PolarHBondContact NH2-OE1 3.04Å; R260-E890 IonicContact NH2-OE2 3.24Å; R260-E890 PolarHBondContact NH2-OE2 3Å
261L28.7Very low37.1Very low44 Ų4490.5 Ų90.523%0.2347%0.47CS..  trans-88.255.2173-74.6165.8000110.5P258 F263 I375 H376P258-L261 HydrophobicContact CB-CB 4.14Å; P258-L261 HydrophobicContact CB-CD1 4.12Å; P258-L261 CarbonylContact O-C 3.19Å; P258-L261 WeakPolarHBondContact O-CA 3.31Å; P258-L261 WeakPolarHBondContact O-CB 3.3Å; P258-L261 PolarHBondContact O-N 3.21Å; L261-F263 PolarHBondContact O-N 3.49Å; L261-I375 HydrophobicContact CD1-CG2 4.03Å; L261-H376 HydrophobicContact CD2-CB 3.93Å
262C27.3Very low34.9Very low74 Ų7494.9 Ų94.950%0.550%0.499SS..  trans-67.8104.7165.1-64.90000108.3R260 S264 W286R260-C262 PolarHBondContact O-N 3.02Å; R260-C262 VanDerWaalsContact O-N 3.17Å; C262-S264 VanDerWaalsContact C-N 3.34Å; C262-S264 PolarHBondContact O-N 2.9Å; C262-W286 HydrophobicContact CB-CZ3 4.19Å
263F27.4Very low33.1Very low73 Ų73100 Ų10032%0.3253%0.532SS..  trans-6592.6172.9-75.2-84.4000110.1L261 W265 L379L261-F263 PolarHBondContact O-N 3.49Å; F263-W265 VanDerWaalsContact C-N 3.26Å; F263-W265 PolarHBondContact O-N 2.79Å; F263-L379 HydrophobicContact CZ-CB 4.48Å; F263-L379 HydrophobicContact CZ-CD1 4.46Å
264S27.6Very low31.7Very low105 Ų105103.3 Ų103.373%0.73454%0.538SS*.  trans-66.293.2156.562.20000107.5C262 T266C262-S264 VanDerWaalsContact C-N 3.34Å; C262-S264 PolarHBondContact O-N 2.9Å; S264-T266 PolarHBondContact O-N 3.33Å
265W28Very low30.3Very low179 Ų179105.1 Ų105.168%0.67855%0.55SS**  trans-66.289.1163.3-82.886.3000108F263 P267 I387F263-W265 VanDerWaalsContact C-N 3.26Å; F263-W265 PolarHBondContact O-N 2.79Å; W265-P267 WeakPolarHBondContact O-CD 3.45Å; W265-I387 HydrophobicContact CH2-CD1 4.08Å
266T27Very low29Very low86 Ų86111.2 Ų111.253%0.52858%0.582SS.*PPolyproline II helixtrans-59.4120.3150.446.30000106S264 W268S264-T266 PolarHBondContact O-N 3.33Å; T266-W268 PolarHBondContact O-N 2.95Å; T266-W268 VanDerWaalsContact O-N 3.15Å
267P26.4Very low28Very low114 Ų114112.1 Ų112.174%0.7460%0.595SS**PPolyproline II helixtrans-59.5125.2174.2-19.131.6000107.3W265W265-P267 WeakPolarHBondContact O-CD 3.45Å
268W24.7Very low27.8Very low205 Ų205113.6 Ų113.678%0.77761%0.606SS**PPolyproline II helixtrans-53.9133.7165.1-98.359.5000108T266 L270T266-W268 PolarHBondContact O-N 2.95Å; T266-W268 VanDerWaalsContact O-N 3.15Å; W268-L270 PolarHBondContact O-N 3.36Å
269P27.4Very low27.7Very low74 Ų74118.2 Ų118.248%0.48164%0.636SS.*  trans-74.459.1172.132.3-35.3000110.6K271 D504P269-K271 PolarHBondContact O-N 2.83Å; P269-D504 WeakPolarHBondContact CG-OD1 3.39Å
270L25Very low27.8Very low151 Ų151117.7 Ų117.779%0.79164%0.641SS**  trans-58.396.5141.1-78173.1000105.5W268 C272W268-L270 PolarHBondContact O-N 3.36Å; L270-C272 PolarHBondContact O-N 3.36Å
271K25.5Very low27.6Very low139 Ų139115.4 Ų115.460%0.60465%0.645SS**  trans-59.182.4177.3-68.4-168.8177.5-168.40109.8P269 T273 D504P269-K271 PolarHBondContact O-N 2.83Å; K271-T273 PolarHBondContact O-N 2.82Å; K271-D504 WeakPolarHBondContact CE-OD2 3.37Å; K271-D504 IonicContact NZ-OD2 2.76Å
272C25.3Very low27.6Very low92 Ų92121 Ų12162%0.62267%0.674SS**  trans-84.487.2175.5-167.60000107.6L270 F274L270-C272 PolarHBondContact O-N 3.36Å; C272-F274 PolarHBondContact O-N 2.65Å
273T27.5Very low27.5Very low119 Ų119127.6 Ų127.673%0.7369%0.689SS**THydrogen-bonded Turntrans-73.238.1-176.8520000113.1K271K271-T273 PolarHBondContact O-N 2.82Å
274F26.2Very low27.6Very low136 Ų136128.7 Ų128.760%0.59670%0.703SS**THydrogen-bonded Turntrans-144.46.3-169-134.2-99.9000116.8C272C272-F274 PolarHBondContact O-N 2.65Å
275C25.4Very low27.8Very low106 Ų106131.8 Ų131.872%0.71670%0.704SS**  trans-117.462178.2-60.90000112.2T277C275-T277 VanDerWaalsContact C-N 3.26Å; C275-T277 PolarHBondContact O-N 2.67Å; C275-T277 VanDerWaalsContact O-N 3.07Å
276L25.8Very low27.7Very low176 Ų176132.8 Ų132.892%0.92171%0.707SS**  trans-76.870166.7-79.3166.1000110.8
277T26.8Very low27.9Very low126 Ų126132.7 Ų132.777%0.77370%0.7SS**SBendtrans-167110.2162.620.80000112.3C275C275-T277 VanDerWaalsContact C-N 3.26Å; C275-T277 PolarHBondContact O-N 2.67Å; C275-T277 VanDerWaalsContact O-N 3.07Å
278S29.8Very low28.1Very low72 Ų72130 Ų13050%0.50369%0.688SS.*  trans52.4115.6166.981.80000119.3S280S278-S280 WeakPolarHBondContact CB-OG 3.35Å; S278-S280 PolarHBondContact O-N 2.97Å
279P35.6Very low28.5Very low135 Ų135121.8 Ų121.888%0.87766%0.661SS**THydrogen-bonded Turntrans-71.2-1.1166-17.832.2000115T281P279-T281 PolarHBondContact O-N 2.99Å
280S33.7Very low28.7Very low104 Ų104125.5 Ų125.573%0.72767%0.67SS**THydrogen-bonded Turntrans-86-2.5-160.747.30000116.4S278S278-S280 WeakPolarHBondContact CB-OG 3.35Å; S278-S280 PolarHBondContact O-N 2.97Å
281T28.5Very low29.2Very low114 Ų114120.4 Ų120.470%0.69965%0.645SS**SBendtrans-111.9-12.6-174.439.20000115.4P279 R283P279-T281 PolarHBondContact O-N 2.99Å; T281-R283 PolarHBondContact O-N 3.26Å; T281-R283 VanDerWaalsContact O-N 3.14Å
282L28.3Very low29.5Very low160 Ų160122.1 Ų122.184%0.83866%0.655SS**  trans-84.984.1172.5-75.1167.5000110.3
283R26.3Very low30Very low214 Ų214119.5 Ų119.581%0.80864%0.636SS**  trans-54.3137.4159.6-77.3-175.9175-176.4-1108.3T281 F285T281-R283 PolarHBondContact O-N 3.26Å; T281-R283 VanDerWaalsContact O-N 3.14Å; R283-F285 PolarHBondContact O-N 2.95Å
284P29.5Very low30.8Very low95 Ų95115.7 Ų115.762%0.61761%0.611SS**  trans-57.3116.8162.5-15.628.3000107.1W286P284-W286 PolarHBondContact O-N 3.41Å; P284-W286 VanDerWaalsContact O-N 3.11Å; P284-W286 PolarHBondContact O-NE1 3.09Å
285F30.4Very low31.9Very low171 Ų171115.6 Ų115.675%0.7561%0.611SS**  trans-76.7100.8171.5-110.5-90000107.3R283 F287R283-F285 PolarHBondContact O-N 2.95Å; F285-F287 HydrophobicContact CB-CD2 4.44Å; F285-F287 HydrophobicContact CB-CE2 4.36Å; F285-F287 PolarHBondContact O-N 3.16Å
286W27.1Very low33.6Very low199 Ų199114.1 Ų114.175%0.75459%0.593SS**  trans-66.989.1-176.9-6679.2000110.5C262 P284 A288C262-W286 HydrophobicContact CB-CZ3 4.19Å; P284-W286 PolarHBondContact O-N 3.41Å; P284-W286 VanDerWaalsContact O-N 3.11Å; P284-W286 PolarHBondContact O-NE1 3.09Å; W286-A288 PolarHBondContact O-N 3.46Å
287F30.9Very low35.7Very low84 Ų84106.9 Ų106.937%0.36855%0.554SS.*  trans-76.887.4172.8-91.2-86.5000110.8F285 C289 C593 S596F285-F287 HydrophobicContact CB-CD2 4.44Å; F285-F287 HydrophobicContact CB-CE2 4.36Å; F285-F287 PolarHBondContact O-N 3.16Å; F287-C289 VanDerWaalsContact C-N 3.3Å; F287-C289 PolarHBondContact O-N 3Å; F287-C593 HydrophobicContact CZ-CB 4.21Å; F287-S596 VanDerWaalsContact CE1-OG 3.23Å; F287-S596 WeakPolarHBondContact CE1-OG 3.37Å
288A31.4Very low38Very low59 Ų59105.6 Ų105.649%0.48854%0.535SS..  trans-67.291.5157.900000108.7W286 F290W286-A288 PolarHBondContact O-N 3.46Å; A288-F290 VanDerWaalsContact C-N 3.3Å; A288-F290 HydrophobicContact CB-CD2 4.28Å; A288-F290 HydrophobicContact CB-CE2 4.26Å; A288-F290 PolarHBondContact O-N 2.88Å
289C32.9Very low40.2Very low32 Ų32102.2 Ų102.222%0.21651%0.512CS..  trans-67.491.4167.2-75.70000108.6P258 F287 V291P258-C289 WeakPolarHBondContact CG-O 3.09Å; F287-C289 VanDerWaalsContact C-N 3.3Å; F287-C289 PolarHBondContact O-N 3Å; C289-V291 VanDerWaalsContact C-N 3.28Å; C289-V291 HydrophobicContact CB-CG2 4.45Å; C289-V291 PolarHBondContact O-N 3.28Å
290F31.8Very low42.3Very low151 Ų151100.4 Ų100.466%0.66249%0.49SS*.  trans-64.592165.8-88.8-96.1000108.9A288 E292A288-F290 VanDerWaalsContact C-N 3.3Å; A288-F290 HydrophobicContact CB-CD2 4.28Å; A288-F290 HydrophobicContact CB-CE2 4.26Å; A288-F290 PolarHBondContact O-N 2.88Å; F290-E292 PolarHBondContact O-N 2.71Å
291V34.9Very low44.2Very low45 Ų4595.9 Ų95.927%0.27346%0.458SS..  trans-86.994163-1500000105.8C289 V293C289-V291 VanDerWaalsContact C-N 3.28Å; C289-V291 HydrophobicContact CB-CG2 4.45Å; C289-V291 PolarHBondContact O-N 3.28Å; V291-V293 VanDerWaalsContact C-N 3.25Å; V291-V293 HydrophobicContact CB-CG2 3.79Å; V291-V293 HydrophobicContact CG1-CB 4.41Å; V291-V293 HydrophobicContact CG1-CG1 3.99Å; V291-V293 HydrophobicContact CG1-CG2 3.62Å; V291-V293 VanDerWaalsContact O-CG2 3.27Å; V291-V293 WeakPolarHBondContact O-CG2 3.47Å; V291-V293 PolarHBondContact O-N 3.42Å
292E31.6Very low46.3Very low174 Ų17496.5 Ų96.581%0.81345%0.453SS*.  trans-74.181.6171.4-70.9-167.6141.800109.2F290F290-E292 PolarHBondContact O-N 2.71Å
293V35Very low48.3Very low37 Ų3795.7 Ų95.722%0.22444%0.443CS..  trans-112.980.6-175.7-99.90000111.9V291 R608V291-V293 VanDerWaalsContact C-N 3.25Å; V291-V293 HydrophobicContact CB-CG2 3.79Å; V291-V293 HydrophobicContact CG1-CB 4.41Å; V291-V293 HydrophobicContact CG1-CG1 3.99Å; V291-V293 HydrophobicContact CG1-CG2 3.62Å; V291-V293 VanDerWaalsContact O-CG2 3.27Å; V291-V293 WeakPolarHBondContact O-CG2 3.47Å; V291-V293 PolarHBondContact O-N 3.42Å; V293-R608 HydrophobicContact CB-CG 3.67Å; V293-R608 HydrophobicContact CG1-CG 3.95Å
294L44.5Very low50.6Low40 Ų4087.1 Ų87.121%0.20942%0.421CS..  trans-136.4105.3162.8-80.8159.7000110.8L249 F252L249-L294 HydrophobicContact CD2-CB 4.46Å; L249-L294 HydrophobicContact CD2-CD1 3.84Å; L249-L294 HydrophobicContact CG-CB 4.13Å; L249-L294 HydrophobicContact CG-CD1 3.82Å; L249-L294 WeakPolarHBondContact O-CD1 3.36Å; F252-L294 HydrophobicContact CB-CD1 3.38Å; F252-L294 HydrophobicContact CB-CD2 3.43Å; F252-L294 VanDerWaalsContact CB-CD2 3.43Å; F252-L294 HydrophobicContact CB-CG 3.91Å; F252-L294 HydrophobicContact CD1-CD2 4.49Å; F252-L294 HydrophobicContact CD2-CD2 4.45Å; F252-L294 HydrophobicContact CG-CD2 3.92Å
295F49.4Very low53Low134 Ų13487.6 Ų87.659%0.58842%0.419SS*.  trans-109.2161.7167.4-86.9-150.4000109.5R608F295-R608 VanDerWaalsContact CD2-CZ 3.49Å; F295-R608 VanDerWaalsContact CE2-NH1 3.26Å; F295-R608 VanDerWaalsContact CG-CZ 3.41Å; F295-R608 VanDerWaalsContact CG-NH1 3.31Å
296E60.8Low55.4Low75 Ų7583.2 Ų83.235%0.3541%0.406SS..  trans-89.8125.5-171.2-73.8160.8169.600111.3R298 L308 K310E296-R298 PolarHBondContact O-N 3.27Å; E296-L308 HydrophobicContact CB-CB 3.93Å; E296-L308 HydrophobicContact CB-CD2 3.49Å; E296-L308 VanDerWaalsContact CB-CD2 3.49Å; E296-L308 HydrophobicContact CB-CG 4.25Å; E296-L308 HydrophobicContact CG-CB 4.17Å; E296-L308 HydrophobicContact CG-CD2 4.38Å; E296-K310 VanDerWaalsContact CD-CE 3.5Å; E296-K310 HydrophobicContact CG-CD 4.29Å; E296-K310 HydrophobicContact CG-CG 4.06Å; E296-K310 WeakPolarHBondContact OE1-CE 3.38Å; E296-K310 IonicContact OE1-NZ 2.79Å; E296-K310 PolarHBondContact OE1-NZ 2.86Å
297F70.4Confident57.9Low24 Ų2474.7 Ų74.711%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-76.7117.5173.5-50.2-56.6000109.1V299 V309 N610F297-V299 PolarHBondContact O-N 3.2Å; F297-V309 WeakPolarHBondContact CD2-O 3.14Å; F297-V309 PolarHBondContact N-O 3.28Å; F297-V309 PolarHBondContact O-N 3.4Å; F297-N610 HydrophobicContact CD1-CB 3.65Å; F297-N610 VanDerWaalsContact CE1-CA 3.49Å; F297-N610 HydrophobicContact CE1-CB 3.52Å; F297-N610 HydrophobicContact CG-CB 4.45Å; F297-N610 HydrophobicContact CZ-CB 4.22Å
298R74.8Confident60Low99 Ų9973.4 Ų73.437%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-79.698.5177.3-71.5-175.7-172.2-172.820.1110.3E296 V306 L308 A621 E623E296-R298 PolarHBondContact O-N 3.27Å; R298-V306 HydrophobicContact CB-CG1 3.74Å; R298-V306 HydrophobicContact CG-CG1 4.03Å; R298-L308 HydrophobicContact CG-CD2 3.52Å; R298-A621 HydrophobicContact CB-CB 4.15Å; R298-A621 WeakPolarHBondContact CB-O 3.45Å; R298-A621 PolarHBondContact O-N 3.38Å; R298-E623 IonicContact CZ-OE1 2.73Å; R298-E623 IonicContact NH1-OE1 3.18Å; R298-E623 PolarHBondContact NH1-OE1 3.02Å; R298-E623 IonicContact NH2-OE1 3.8Å; R298-E623 PolarHBondContact NH2-OE1 2.96Å
299V77.1Confident62.1Low1 Ų170.7 Ų70.71%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-95.3132176.81760000109.8V238 F297 V306 V307 V309 A313 V618V238-V299 HydrophobicContact CG2-CG1 3.98Å; F297-V299 PolarHBondContact O-N 3.2Å; V299-V306 CarbonylContact O-C 3.57Å; V299-V306 WeakPolarHBondContact O-CA 3.23Å; V299-V307 PolarHBondContact N-O 3.33Å; V299-V307 PolarHBondContact O-N 2.99Å; V299-V309 HydrophobicContact CB-CG2 4.14Å; V299-V309 HydrophobicContact CG2-CB 4.47Å; V299-V309 HydrophobicContact CG2-CG2 3.92Å; V299-A313 HydrophobicContact CG2-CB 4.35Å; V299-V618 HydrophobicContact CB-CG1 4.36Å; V299-V618 HydrophobicContact CG1-CG1 3.67Å; V299-V618 HydrophobicContact CG2-CG1 3.81Å
300K79Confident64.1Low96 Ų9670.1 Ų70.142%0.41734%0.343SS..EExtended strand (participates in β ladder)trans-94.7110.8176-166171-176.9172.60110G304 N305 K619 A621K300-G304 WeakPolarHBondContact CE-O 3.39Å; K300-N305 WeakPolarHBondContact CA-O 3.47Å; K300-K619 HydrophobicContact CB-CB 4.26Å; K300-K619 PolarHBondContact N-O 2.89Å; K300-A621 HydrophobicContact CB-CB 4.28Å
301S74.5Confident66.3Low9 Ų963 Ų636%0.06331%0.312CS..  trans-60.9157.4169.1170.40000110.6C236 K303 G304 N305C236-S301 PolarHBondContact O-OG 3.18Å; S301-K303 PolarHBondContact O-N 2.97Å; S301-K303 PolarHBondContact OG-N 2.91Å; S301-G304 WeakPolarHBondContact O-CA 3.42Å; S301-G304 PolarHBondContact O-N 3.45Å; S301-N305 PolarHBondContact N-O 3.32Å
302E71.3Confident68.5Low127 Ų12760.9 Ų60.959%0.59330%0.3SS*.THydrogen-bonded Turntrans-55.5-31.8174.8-174.1163.1-151.800113.2C236 G304C236-E302 HydrophobicContact CB-CB 4.32Å; C236-E302 WeakPolarHBondContact CB-OE2 3.29Å; C236-E302 PolarHBondContact O-N 2.64Å; C236-E302 PolarHBondContact SG-OE2 3.12Å; E302-G304 PolarHBondContact O-N 2.67Å; E302-G304 VanDerWaalsContact O-N 3.15Å
303K70.9Confident70.8Confident144 Ų14452.6 Ų52.663%0.62626%0.261SS*.THydrogen-bonded Turntrans-72.21.6174-62.9176.3-175.7167.40113.8S301 N305S301-K303 PolarHBondContact O-N 2.97Å; S301-K303 PolarHBondContact OG-N 2.91Å; K303-N305 VanDerWaalsContact C-N 3.31Å; K303-N305 PolarHBondContact O-N 3.03Å
304G75.4Confident73Confident34 Ų3451.1 Ų51.135%0.35125%0.252SS..SBendtrans88.4-1517900000115.2K300 S301 E302K300-G304 WeakPolarHBondContact CE-O 3.39Å; S301-G304 WeakPolarHBondContact O-CA 3.42Å; S301-G304 PolarHBondContact O-N 3.45Å; E302-G304 PolarHBondContact O-N 2.67Å; E302-G304 VanDerWaalsContact O-N 3.15Å
305N79.5Confident74.8Confident105 Ų10549.2 Ų49.256%0.56124%0.242SC*.  trans-61.4134.3178.5-65.5-15.4000111.6K300 S301 K303K300-N305 WeakPolarHBondContact CA-O 3.47Å; S301-N305 PolarHBondContact N-O 3.32Å; K303-N305 VanDerWaalsContact C-N 3.31Å; K303-N305 PolarHBondContact O-N 3.03Å
306V80.8Confident76.4Confident78 Ų7844.9 Ų44.947%0.47322%0.223SC..EExtended strand (participates in β ladder)trans-91.5126.6172.8-177.80000109.1R298 V299 A621R298-V306 HydrophobicContact CB-CG1 3.74Å; R298-V306 HydrophobicContact CG-CG1 4.03Å; V299-V306 CarbonylContact O-C 3.57Å; V299-V306 WeakPolarHBondContact O-CA 3.23Å; V306-A621 HydrophobicContact CB-CB 4.44Å; V306-A621 HydrophobicContact CG1-CB 3.88Å; V306-A621 HydrophobicContact CG2-CB 3.68Å
307V78.2Confident77.7Confident20 Ų2041.3 Ų41.312%0.12121%0.206CC..EExtended strand (participates in β ladder)trans-121.9133.3-176.1-175.90000108.9V238 M240 V299 V309V238-V307 HydrophobicContact CB-CG2 4.47Å; V238-V307 HydrophobicContact CG1-CB 4.31Å; V238-V307 HydrophobicContact CG1-CG1 4Å; M240-V307 HydrophobicContact CB-CG1 3.51Å; M240-V307 HydrophobicContact CG-CG1 4.19Å; V299-V307 PolarHBondContact N-O 3.33Å; V299-V307 PolarHBondContact O-N 2.99Å; V307-V309 HydrophobicContact CG1-CG2 4.21Å
308L76.4Confident78.4Confident58 Ų5840.3 Ų40.330%0.30420%0.202SC..EExtended strand (participates in β ladder)trans-91.7102.4-177.5-68.3160.7000109.5N245 E296 R298N245-L308 PolarHBondContact ND2-O 3.29Å; E296-L308 HydrophobicContact CB-CB 3.93Å; E296-L308 HydrophobicContact CB-CD2 3.49Å; E296-L308 VanDerWaalsContact CB-CD2 3.49Å; E296-L308 HydrophobicContact CB-CG 4.25Å; E296-L308 HydrophobicContact CG-CB 4.17Å; E296-L308 HydrophobicContact CG-CD2 4.38Å; R298-L308 HydrophobicContact CG-CD2 3.52Å
309V75.2Confident78.8Confident2 Ų237.5 Ų37.51%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-106.7145.8-178.7-159.30000110.1Y229 V238 F297 V299 V307 T311Y229-V309 HydrophobicContact CE1-CG1 3.9Å; V238-V309 HydrophobicContact CG1-CG2 3.91Å; F297-V309 WeakPolarHBondContact CD2-O 3.14Å; F297-V309 PolarHBondContact N-O 3.28Å; F297-V309 PolarHBondContact O-N 3.4Å; V299-V309 HydrophobicContact CB-CG2 4.14Å; V299-V309 HydrophobicContact CG2-CB 4.47Å; V299-V309 HydrophobicContact CG2-CG2 3.92Å; V307-V309 HydrophobicContact CG1-CG2 4.21Å; V309-T311 VanDerWaalsContact CG1-O 3.24Å; V309-T311 WeakPolarHBondContact CG1-O 3.41Å
310K75.6Confident79Confident20 Ų2037.6 Ų37.69%0.08720%0.195CC..SBendtrans-116.61.9-174.6-64.8178.3-177.3175.20113.7Y229 N245 V248 L249 F252 E296Y229-K310 PolarHBondContact OH-N 3.46Å; N245-K310 HydrophobicContact CB-CD 4.4Å; N245-K310 WeakPolarHBondContact O-CD 3.47Å; N245-K310 VanDerWaalsContact OD1-CD 3.27Å; N245-K310 WeakPolarHBondContact OD1-CD 3.18Å; N245-K310 VanDerWaalsContact OD1-CG 3.28Å; N245-K310 WeakPolarHBondContact OD1-CG 3.4Å; V248-K310 HydrophobicContact CG1-CB 3.9Å; L249-K310 HydrophobicContact CB-CD 3.91Å; L249-K310 HydrophobicContact CD1-CD 3.87Å; L249-K310 HydrophobicContact CG-CD 4.23Å; F252-K310 VanDerWaalsContact CE2-O 3.28Å; F252-K310 WeakPolarHBondContact CE2-O 3.32Å; E296-K310 VanDerWaalsContact CD-CE 3.5Å; E296-K310 HydrophobicContact CG-CD 4.29Å; E296-K310 HydrophobicContact CG-CG 4.06Å; E296-K310 WeakPolarHBondContact OE1-CE 3.38Å; E296-K310 IonicContact OE1-NZ 2.79Å; E296-K310 PolarHBondContact OE1-NZ 2.86Å
311T77Confident79.2Confident1 Ų138 Ų381%0.00620%0.201CC..SBendtrans-143.3-173169.9-172.40000107.8Y174 Y229 V248 V309 A313Y174-T311 PolarHBondContact OH-OG1 2.99Å; Y229-T311 HydrophobicContact CE1-CG2 3.64Å; V248-T311 HydrophobicContact CG1-CG2 4.25Å; V309-T311 VanDerWaalsContact CG1-O 3.24Å; V309-T311 WeakPolarHBondContact CG1-O 3.41Å; T311-A313 PolarHBondContact O-N 3.27Å
312A80.3Confident79.7Confident1 Ų139.6 Ų39.61%0.00821%0.209CC..  trans-58.4134.6175.100000111.5E314 S315 R332 I611 D612A312-E314 PolarHBondContact O-N 3.15Å; A312-E314 VanDerWaalsContact O-N 3.1Å; A312-S315 VanDerWaalsContact O-CB 3.28Å; A312-S315 WeakPolarHBondContact O-CB 3.45Å; A312-S315 PolarHBondContact O-N 3.4Å; A312-S315 PolarHBondContact O-OG 2.86Å; A312-R332 HydrophobicContact CB-CB 3.44Å; A312-R332 VanDerWaalsContact CB-CB 3.44Å; A312-R332 HydrophobicContact CB-CG 4.44Å; A312-R332 WeakPolarHBondContact CB-O 3.29Å; A312-I611 HydrophobicContact CB-CG2 4.13Å; A312-D612 VanDerWaalsContact CA-OD2 3.32Å; A312-D612 WeakPolarHBondContact CA-OD2 3.27Å
313A81.3Confident80.4Confident0 Ų037.5 Ų37.50%021%0.209CC..THydrogen-bonded Turntrans-61.7-19.6-176.100000114G230 S231 V299 T311 D612 V618G230-A313 CarbonylContact C-O 3.57Å; G230-A313 WeakPolarHBondContact CA-O 3.44Å; S231-A313 WeakPolarHBondContact CB-O 3.36Å; S231-A313 PolarHBondContact N-O 3.01Å; V299-A313 HydrophobicContact CG2-CB 4.35Å; T311-A313 PolarHBondContact O-N 3.27Å; A313-D612 WeakPolarHBondContact CB-OD2 3.45Å; A313-D612 PolarHBondContact N-OD2 3.15Å; A313-V618 HydrophobicContact CB-CG1 4.27Å; A313-V618 HydrophobicContact CB-CG2 3.94Å
314E79.8Confident81.2Confident6 Ų632.2 Ų32.23%0.02819%0.185CC..THydrogen-bonded Turntrans-82-10.6175.7-65.1167.6173.500113.1A312 Y331 R332A312-E314 PolarHBondContact O-N 3.15Å; A312-E314 VanDerWaalsContact O-N 3.1Å; E314-Y331 PolarHBondContact OE2-OH 3.3Å; E314-R332 IonicContact OE1-CZ 3.58Å; E314-R332 IonicContact OE1-NE 3.17Å; E314-R332 IonicContact OE1-NH2 2.61Å; E314-R332 PolarHBondContact OE1-NH2 3.39Å; E314-R332 WeakPolarHBondContact OE2-CD 3.21Å; E314-R332 IonicContact OE2-CZ 2.75Å; E314-R332 IonicContact OE2-NE 3.35Å; E314-R332 PolarHBondContact OE2-NE 3.46Å; E314-R332 IonicContact OE2-NH2 2.63Å; E314-R332 PolarHBondContact OE2-NH2 3.19Å
315S82.5Confident81.9Confident0 Ų030.6 Ų30.60%017%0.168CC..PPolyproline II helixtrans-73.1128.1178.5-42.30000111.1G230 A312G230-S315 WeakPolarHBondContact CA-O 3.26Å; A312-S315 VanDerWaalsContact O-CB 3.28Å; A312-S315 WeakPolarHBondContact O-CB 3.45Å; A312-S315 PolarHBondContact O-N 3.4Å; A312-S315 PolarHBondContact O-OG 2.86Å
316K84.7Confident82.3Confident43 Ų4325.6 Ų25.619%0.18714%0.141CC..EExtended strand (participates in β ladder)trans-100.7124.4-172.5-67.5163.2-169.6158.10112.4I227 Y229 S231 I318 I327 L328 D329I227-K316 HydrophobicContact CD1-CB 4.42Å; I227-K316 HydrophobicContact CD1-CD 3.98Å; I227-K316 HydrophobicContact CD1-CG 4.09Å; Y229-K316 WeakPolarHBondContact O-CA 3.29Å; S231-K316 WeakPolarHBondContact O-CE 3.21Å; K316-I318 HydrophobicContact CB-CD1 4.49Å; K316-I327 CarbonylContact O-C 3.48Å; K316-I327 WeakPolarHBondContact O-CA 3.42Å; K316-L328 HydrophobicContact CB-CB 4.33Å; K316-L328 PolarHBondContact N-O 3.44Å; K316-L328 PolarHBondContact O-N 2.95Å; K316-D329 WeakPolarHBondContact CD-OD2 3.48Å; K316-D329 VanDerWaalsContact CE-OD2 3.29Å; K316-D329 WeakPolarHBondContact CE-OD2 3.31Å; K316-D329 IonicContact NZ-OD2 3.49Å; K316-D329 PolarHBondContact NZ-OD2 3.43Å
317G86.1Confident82.6Confident0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-101.9124.9170.200000112.2L228 Y229 Y326L228-G317 PolarHBondContact N-O 3.27Å; Y229-G317 PolarHBondContact N-O 2.71Å; Y229-G317 PolarHBondContact O-N 3.03Å; G317-Y326 WeakPolarHBondContact CA-O 3.39Å
318I85.5Confident83.1Confident3 Ų322.2 Ų22.22%0.01512%0.12CC..EExtended strand (participates in β ladder)trans-139.1134.4-171.8-55.4-174.5000110.1K206 I208 I227 F244 K316 Y326 L328K206-I318 HydrophobicContact CD-CG2 4.44Å; I208-I318 HydrophobicContact CD1-CD1 4.36Å; I208-I318 HydrophobicContact CD1-CG2 3.61Å; I208-I318 HydrophobicContact CG2-CD1 3.43Å; I208-I318 VanDerWaalsContact CG2-CD1 3.43Å; I208-I318 HydrophobicContact CG2-CG2 4.32Å; I227-I318 HydrophobicContact CD1-CD1 4.07Å; I227-I318 HydrophobicContact CG1-CD1 3.58Å; I227-I318 HydrophobicContact CG1-CG1 3.64Å; F244-I318 VanDerWaalsContact CZ-N 3.26Å; K316-I318 HydrophobicContact CB-CD1 4.49Å; I318-Y326 PolarHBondContact N-O 2.95Å; I318-Y326 PolarHBondContact O-N 3.4Å; I318-L328 HydrophobicContact CD1-CD1 3.78Å; I318-L328 HydrophobicContact CG1-CD1 4.39Å
319I84.8Confident83.4Confident40 Ų4022 Ų2221%0.20512%0.119CC..EExtended strand (participates in β ladder)trans-88.8125.3170.5-66.1171.2000109.1K206 L228 F244 R324K206-I319 VanDerWaalsContact CD-O 3.26Å; K206-I319 WeakPolarHBondContact CD-O 3.43Å; K206-I319 WeakPolarHBondContact CE-O 3.46Å; K206-I319 PolarHBondContact NZ-O 3.06Å; L228-I319 HydrophobicContact CD1-CB 4.28Å; L228-I319 HydrophobicContact CD1-CD1 3.53Å; L228-I319 HydrophobicContact CD1-CG1 3.76Å; F244-I319 HydrophobicContact CE2-CG1 4.01Å; F244-I319 HydrophobicContact CZ-CG1 4.3Å; I319-R324 WeakPolarHBondContact CA-O 3.35Å
320G81.2Confident83.8Confident3 Ų322 Ų223%0.03112%0.119CC..  trans-77.5170.8173.500000112.8D322 S323 R324G320-D322 WeakPolarHBondContact CA-OD1 3.22Å; G320-D322 PolarHBondContact O-N 2.9Å; G320-S323 WeakPolarHBondContact O-CA 3.42Å; G320-S323 PolarHBondContact O-N 3.01Å; G320-R324 PolarHBondContact N-O 3.29Å
321N82.8Confident84Confident104 Ų10421.7 Ų21.756%0.55612%0.117SC*.THydrogen-bonded Turntrans-69.9-18176.3-75.321.8000112.9P204 G205 K206 S323P204-N321 PolarHBondContact O-N 2.84Å; G205-N321 WeakPolarHBondContact CA-ND2 3.35Å; G205-N321 PolarHBondContact O-ND2 3.42Å; G205-N321 VanDerWaalsContact O-ND2 3.08Å; K206-N321 WeakPolarHBondContact CG-OD1 3.27Å; K206-N321 PolarHBondContact N-OD1 3.09Å; N321-S323 PolarHBondContact O-N 3.27Å
322D84.7Confident84.2Confident43 Ų4322 Ų2223%0.2312%0.118CC..THydrogen-bonded Turntrans-72.85166.565.8-18.5000113P204 G320 R324 Y326P204-D322 HydrophobicContact CB-CB 4.28Å; P204-D322 HydrophobicContact CG-CB 4.33Å; G320-D322 WeakPolarHBondContact CA-OD1 3.22Å; G320-D322 PolarHBondContact O-N 2.9Å; D322-R324 HydrophobicContact CB-CG 4.46Å; D322-R324 PolarHBondContact O-N 3.4Å; D322-R324 VanDerWaalsContact O-N 3.11Å; D322-R324 PolarHBondContact OD1-N 3.36Å; D322-R324 VanDerWaalsContact OD2-CD 3.24Å; D322-R324 WeakPolarHBondContact OD2-CD 3.36Å; D322-R324 WeakPolarHBondContact OD2-CG 3.47Å; D322-R324 IonicContact OD2-CZ 2.67Å; D322-R324 IonicContact OD2-NE 3.09Å; D322-R324 IonicContact OD2-NH1 2.6Å; D322-R324 PolarHBondContact OD2-NH1 3.23Å; D322-Y326 WeakPolarHBondContact OD1-CE2 3.48Å; D322-Y326 PolarHBondContact OD2-OH 3.24Å
323S86Confident84Confident83 Ų8322.8 Ų22.858%0.5812%0.122SC*.SBendtrans63.27.4-178.1-56.50000115.7G320 N321G320-S323 WeakPolarHBondContact O-CA 3.42Å; G320-S323 PolarHBondContact O-N 3.01Å; N321-S323 PolarHBondContact O-N 3.27Å
324R88.1Confident83.8Confident32 Ų3225.7 Ų25.712%0.12113%0.133CC..  trans-79.4147.9175.8-62.4-171.7-177.8108.4-12.3111.2E60 Q63 E67 I319 G320 D322 Y326E60-R324 IonicContact OE1-CZ 3.32Å; E60-R324 IonicContact OE1-NH1 2.75Å; E60-R324 IonicContact OE1-NH2 3.48Å; E60-R324 PolarHBondContact OE1-NH2 3.47Å; E60-R324 IonicContact OE2-CZ 3.86Å; E60-R324 IonicContact OE2-NH1 3.77Å; E60-R324 PolarHBondContact OE2-NH1 2.94Å; E60-R324 IonicContact OE2-NH2 3.63Å; E60-R324 PolarHBondContact OE2-NH2 3.42Å; Q63-R324 VanDerWaalsContact CB-CZ 3.48Å; E67-R324 WeakPolarHBondContact OE1-CD 3.5Å; E67-R324 IonicContact OE1-CZ 3.21Å; E67-R324 IonicContact OE1-NE 3.89Å; E67-R324 PolarHBondContact OE1-NE 3.44Å; E67-R324 IonicContact OE1-NH2 3.08Å; E67-R324 IonicContact OE2-CZ 2.69Å; E67-R324 IonicContact OE2-NE 3.62Å; E67-R324 PolarHBondContact OE2-NE 2.99Å; E67-R324 IonicContact OE2-NH2 2.73Å; E67-R324 PolarHBondContact OE2-NH2 2.96Å; I319-R324 WeakPolarHBondContact CA-O 3.35Å; G320-R324 PolarHBondContact N-O 3.29Å; D322-R324 HydrophobicContact CB-CG 4.46Å; D322-R324 PolarHBondContact O-N 3.4Å; D322-R324 VanDerWaalsContact O-N 3.11Å; D322-R324 PolarHBondContact OD1-N 3.36Å; D322-R324 VanDerWaalsContact OD2-CD 3.24Å; D322-R324 WeakPolarHBondContact OD2-CD 3.36Å; D322-R324 WeakPolarHBondContact OD2-CG 3.47Å; D322-R324 IonicContact OD2-CZ 2.67Å; D322-R324 IonicContact OD2-NE 3.09Å; D322-R324 IonicContact OD2-NH1 2.6Å; D322-R324 PolarHBondContact OD2-NH1 3.23Å; R324-Y326 HydrophobicContact CB-CD2 4.49Å; R324-Y326 HydrophobicContact CB-CE2 3.73Å; R324-Y326 WeakPolarHBondContact O-CD2 3.48Å
325C89.2Confident84Confident0 Ų025.6 Ų25.60%013%0.133CC..EExtended strand (participates in β ladder)trans-92.5109.8178.1-70.30000110.3L182 S183 R243 F244 L247L182-C325 HydrophobicContact CD1-CB 4.45Å; S183-C325 WeakPolarHBondContact CB-O 3.4Å; S183-C325 PolarHBondContact N-O 3.5Å; R243-C325 PolarHBondContact NE-SG 3.42Å; R243-C325 VanDerWaalsContact NE-SG 3.45Å; R243-C325 PolarHBondContact NH2-SG 2.93Å; F244-C325 HydrophobicContact CE1-CB 3.74Å; F244-C325 HydrophobicContact CE2-CB 4.41Å; F244-C325 HydrophobicContact CZ-CB 3.64Å; L247-C325 HydrophobicContact CD1-CB 3.94Å
326Y88.8Confident84.2Confident0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-94.2139.9177.2-66-90.3000111.3N59 Q63 S183 L185 I203 F244 G317 I318 D322 R324N59-Y326 PolarHBondContact ND2-OH 3.47Å; N59-Y326 WeakPolarHBondContact OD1-CE1 3.43Å; Q63-Y326 HydrophobicContact CG-CE1 4.48Å; S183-Y326 WeakPolarHBondContact O-CA 3.46Å; L185-Y326 HydrophobicContact CD2-CD1 4Å; L185-Y326 HydrophobicContact CD2-CE1 4.11Å; I203-Y326 HydrophobicContact CG1-CD1 4.42Å; I203-Y326 HydrophobicContact CG1-CG 4.41Å; I203-Y326 HydrophobicContact CG2-CD2 4.15Å; I203-Y326 HydrophobicContact CG2-CE2 4.2Å; F244-Y326 WeakPolarHBondContact CE1-O 3.41Å; G317-Y326 WeakPolarHBondContact CA-O 3.39Å; I318-Y326 PolarHBondContact N-O 2.95Å; I318-Y326 PolarHBondContact O-N 3.4Å; D322-Y326 WeakPolarHBondContact OD1-CE2 3.48Å; D322-Y326 PolarHBondContact OD2-OH 3.24Å; R324-Y326 HydrophobicContact CB-CD2 4.49Å; R324-Y326 HydrophobicContact CB-CE2 3.73Å; R324-Y326 WeakPolarHBondContact O-CD2 3.48Å
327I87.3Confident84.5Confident4 Ų423.8 Ų23.82%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-114.8137.3166.4-163.7174.2000110.6Y174 L182 S183 M184 V248 K316 L330Y174-I327 HydrophobicContact CD1-CG2 4.17Å; Y174-I327 HydrophobicContact CE1-CD1 3.7Å; Y174-I327 HydrophobicContact CE1-CG2 4.3Å; L182-I327 HydrophobicContact CD1-CB 4.2Å; L182-I327 HydrophobicContact CD1-CG2 4.28Å; L182-I327 HydrophobicContact CD2-CG2 4.01Å; L182-I327 HydrophobicContact CG-CG2 4.07Å; S183-I327 PolarHBondContact O-N 3.28Å; S183-I327 VanDerWaalsContact O-N 3.15Å; M184-I327 HydrophobicContact CG-CG2 4.25Å; V248-I327 HydrophobicContact CG2-CD1 4.07Å; K316-I327 CarbonylContact O-C 3.48Å; K316-I327 WeakPolarHBondContact O-CA 3.42Å; I327-L330 HydrophobicContact CD1-CD2 3.94Å; I327-L330 HydrophobicContact CG1-CD2 4Å; I327-L330 HydrophobicContact CG2-CD1 4.35Å
328L87.1Confident84.8Confident24 Ų2423.8 Ų23.813%0.12613%0.126CC..EExtended strand (participates in β ladder)trans-137.9169.3-169.2-51171.4000111.4L185 I203 K316 I318L185-L328 HydrophobicContact CD1-CD2 3.44Å; L185-L328 VanDerWaalsContact CD1-CD2 3.44Å; L185-L328 HydrophobicContact CG-CD2 3.77Å; I203-L328 HydrophobicContact CD1-CD1 3.75Å; I203-L328 HydrophobicContact CD1-CD2 4.22Å; K316-L328 HydrophobicContact CB-CB 4.33Å; K316-L328 PolarHBondContact N-O 3.44Å; K316-L328 PolarHBondContact O-N 2.95Å; I318-L328 HydrophobicContact CD1-CD1 3.78Å; I318-L328 HydrophobicContact CG1-CD1 4.39Å
329D82.8Confident85.2Confident53 Ų5323.6 Ų23.628%0.28313%0.125SC..  trans56.752175.5-64.6-3.4000113.3K316 Y331K316-D329 WeakPolarHBondContact CD-OD2 3.48Å; K316-D329 VanDerWaalsContact CE-OD2 3.29Å; K316-D329 WeakPolarHBondContact CE-OD2 3.31Å; K316-D329 IonicContact NZ-OD2 3.49Å; K316-D329 PolarHBondContact NZ-OD2 3.43Å; D329-Y331 HydrophobicContact CB-CD1 4.34Å; D329-Y331 HydrophobicContact CB-CE1 4.27Å; D329-Y331 WeakPolarHBondContact O-CD1 3.06Å; D329-Y331 PolarHBondContact O-N 2.98Å; D329-Y331 VanDerWaalsContact O-N 3.16Å
330L83.5Confident85.5Confident2 Ų222.1 Ų22.11%0.0112%0.117CC..THydrogen-bonded Turntrans-86.425.5-171.8-63.9174.8000113.5D167 V171 Y174 I327 R332 H333D167-L330 PolarHBondContact OD1-N 3.4Å; V171-L330 HydrophobicContact CG2-CD1 4.2Å; Y174-L330 HydrophobicContact CD2-CD1 3.8Å; Y174-L330 HydrophobicContact CD2-CD2 4.26Å; Y174-L330 HydrophobicContact CE2-CD1 4.15Å; Y174-L330 HydrophobicContact CE2-CD2 3.73Å; Y174-L330 HydrophobicContact CG-CD1 4.04Å; I327-L330 HydrophobicContact CD1-CD2 3.94Å; I327-L330 HydrophobicContact CG1-CD2 4Å; I327-L330 HydrophobicContact CG2-CD1 4.35Å; L330-R332 PolarHBondContact O-N 2.98Å; L330-H333 PolarHBondContact O-ND1 2.71Å
331Y81.4Confident85.8Confident13 Ų1322.7 Ų22.75%0.05112%0.119CC..THydrogen-bonded Turntrans-69.4-14.1-176.766.3-86.4000114C166 E314 D329 L363C166-Y331 WeakPolarHBondContact CB-O 3.38Å; E314-Y331 PolarHBondContact OE2-OH 3.3Å; D329-Y331 HydrophobicContact CB-CD1 4.34Å; D329-Y331 HydrophobicContact CB-CE1 4.27Å; D329-Y331 WeakPolarHBondContact O-CD1 3.06Å; D329-Y331 PolarHBondContact O-N 2.98Å; D329-Y331 VanDerWaalsContact O-N 3.16Å; Y331-L363 HydrophobicContact CD2-CD2 4.17Å; Y331-L363 HydrophobicContact CE2-CD2 4.3Å
332R79.5Confident85.6Confident7 Ų723.6 Ų23.63%0.02612%0.12CC..  trans-110.6102.1168-72.3-171.7-161-124.722.2110.9A312 E314 L330 Y365 I611 S615A312-R332 HydrophobicContact CB-CB 3.44Å; A312-R332 VanDerWaalsContact CB-CB 3.44Å; A312-R332 HydrophobicContact CB-CG 4.44Å; A312-R332 WeakPolarHBondContact CB-O 3.29Å; E314-R332 IonicContact OE1-CZ 3.58Å; E314-R332 IonicContact OE1-NE 3.17Å; E314-R332 IonicContact OE1-NH2 2.61Å; E314-R332 PolarHBondContact OE1-NH2 3.39Å; E314-R332 WeakPolarHBondContact OE2-CD 3.21Å; E314-R332 IonicContact OE2-CZ 2.75Å; E314-R332 IonicContact OE2-NE 3.35Å; E314-R332 PolarHBondContact OE2-NE 3.46Å; E314-R332 IonicContact OE2-NH2 2.63Å; E314-R332 PolarHBondContact OE2-NH2 3.19Å; L330-R332 PolarHBondContact O-N 2.98Å; R332-Y365 HydrophobicContact CG-CE1 4.42Å; R332-Y365 WeakPolarHBondContact CG-OH 3.37Å; R332-I611 HydrophobicContact CB-CG2 3.84Å; R332-S615 PolarHBondContact NH1-OG 2.97Å; R332-S615 PolarHBondContact NH2-OG 3.38Å
333H76.5Confident85.5Confident18 Ų1829 Ų298%0.08315%0.148CC..  trans-141.8-4.6-179.957.6-82.5000114C166 G170 L330C166-H333 PolarHBondContact O-CE1 2.11Å; C166-H333 PolarHBondContact O-ND1 2.92Å; G170-H333 WeakPolarHBondContact CA-ND1 3.3Å; G170-H333 PolarHBondContact N-CE1 3.13Å; G170-H333 VanDerWaalsContact N-CE1 3.27Å; G170-H333 PolarHBondContact N-ND1 2.66Å; L330-H333 PolarHBondContact O-ND1 2.71Å
334Y78.3Confident85.5Confident61 Ų6125.6 Ų25.624%0.23913%0.125CC..SBendtrans-127.1159.5175.8-71.7-47.2000111S336 Y365 L366 P368 I371Y334-S336 PolarHBondContact O-N 2.99Å; Y334-Y365 WeakPolarHBondContact O-CD1 3.28Å; Y334-L366 WeakPolarHBondContact CB-O 3.42Å; Y334-P368 HydrophobicContact CE1-CB 3.73Å; Y334-P368 HydrophobicContact CE1-CG 4.17Å; Y334-P368 HydrophobicContact CE2-CB 4.46Å; Y334-P368 HydrophobicContact CE2-CG 4.01Å; Y334-I371 HydrophobicContact CD1-CD1 4.14Å
335P83.4Confident85.5Confident5 Ų528.6 Ų28.63%0.03215%0.148CC..  trans-61.7134.3-177.6-19.232.8000111.1Y365 L366 I371 F609 L637P335-Y365 CarbonylContact O-C 3.43Å; P335-Y365 VanDerWaalsContact O-CA 3.29Å; P335-Y365 WeakPolarHBondContact O-CA 3.37Å; P335-L366 PolarHBondContact O-N 3.38Å; P335-I371 VanDerWaalsContact CD-CD1 3.4Å; P335-I371 HydrophobicContact CG-CD1 3.71Å; P335-I371 HydrophobicContact CG-CG1 4.36Å; P335-F609 HydrophobicContact CB-CB 3.96Å; P335-F609 HydrophobicContact CB-CD1 3.87Å; P335-F609 HydrophobicContact CB-CG 4.03Å; P335-F609 HydrophobicContact CG-CB 3.53Å; P335-F609 HydrophobicContact CG-CD1 3.78Å; P335-F609 HydrophobicContact CG-CD2 4.04Å; P335-F609 HydrophobicContact CG-CG 3.5Å; P335-F609 VanDerWaalsContact CG-CG 3.5Å; P335-L637 HydrophobicContact CB-CD2 4.42Å; P335-L637 HydrophobicContact CG-CD2 4.27Å
336S86.4Confident85.5Confident3 Ų329.4 Ų29.42%0.02115%0.152CC..BIsolated β-bridgetrans-65.4140.1174-58.90000111Y334 P338 A364 H634Y334-S336 PolarHBondContact O-N 2.99Å; S336-P338 VanDerWaalsContact O-CD 3.3Å; S336-P338 WeakPolarHBondContact O-CD 3.35Å; S336-A364 CarbonylContact C-O 3.56Å; S336-A364 WeakPolarHBondContact CA-O 3.43Å; S336-H634 PolarHBondContact O-ND1 3.34Å; S336-H634 VanDerWaalsContact O-ND1 3.12Å
337D90.9Very high85.7Confident1 Ų130.8 Ų30.81%0.00516%0.162CC..  trans-89.5100.7-176.4-175.2-5000110.4H339 Y340 I341 A364 L366 R687 Y688D337-H339 PolarHBondContact O-N 2.82Å; D337-H339 WeakPolarHBondContact OD1-CB 3.3Å; D337-H339 IonicContact OD1-CG 3.28Å; D337-H339 PolarHBondContact OD1-N 3.42Å; D337-H339 IonicContact OD1-ND1 3.43Å; D337-Y340 PolarHBondContact O-N 3.46Å; D337-Y340 VanDerWaalsContact O-N 3.1Å; D337-Y340 WeakPolarHBondContact OD2-CD2 3.49Å; D337-I341 WeakPolarHBondContact O-CG1 3.41Å; D337-A364 HydrophobicContact CB-CB 4.35Å; D337-A364 VanDerWaalsContact CB-O 3.31Å; D337-A364 WeakPolarHBondContact CB-O 3.49Å; D337-A364 PolarHBondContact N-O 3.29Å; D337-L366 HydrophobicContact CB-CD2 3.75Å; D337-L366 HydrophobicContact CB-CG 3.82Å; D337-L366 VanDerWaalsContact CG-CD2 3.44Å; D337-R687 IonicContact OD2-NH2 3.58Å; D337-Y688 VanDerWaalsContact CG-OH 3.3Å; D337-Y688 PolarHBondContact OD1-OH 3.33Å; D337-Y688 WeakPolarHBondContact OD2-CE2 3.36Å; D337-Y688 PolarHBondContact OD2-OH 3.28Å
338P92.4Very high85.9Confident0 Ų038.5 Ų38.50%020%0.198CC..G310 helixtrans-61.5-20.2-174.825.8-34.9000113.2S336 Y340 I341 A344 V346 Y614 V635 A638S336-P338 VanDerWaalsContact O-CD 3.3Å; S336-P338 WeakPolarHBondContact O-CD 3.35Å; P338-Y340 PolarHBondContact O-N 3.49Å; P338-I341 PolarHBondContact O-N 3.47Å; P338-A344 HydrophobicContact CB-CB 3.88Å; P338-A344 WeakPolarHBondContact O-CB 3.3Å; P338-V346 HydrophobicContact CB-CG1 4.4Å; P338-Y614 HydrophobicContact CB-CE1 4.46Å; P338-Y614 HydrophobicContact CB-CE2 4.45Å; P338-V635 HydrophobicContact CB-CG2 4.43Å; P338-V635 HydrophobicContact CG-CG2 4.23Å; P338-A638 HydrophobicContact CG-CB 3.66Å
339H93.9Very high86Confident0 Ų041.8 Ų41.80%021%0.212CC..G310 helixtrans-66.3-14.4176.6-67.7148.8000114.6D337 A350 F355 P356 R357 A638 L642 Y688D337-H339 PolarHBondContact O-N 2.82Å; D337-H339 WeakPolarHBondContact OD1-CB 3.3Å; D337-H339 IonicContact OD1-CG 3.28Å; D337-H339 PolarHBondContact OD1-N 3.42Å; D337-H339 IonicContact OD1-ND1 3.43Å; H339-A350 WeakPolarHBondContact NE2-CB 3.46Å; H339-F355 HydrophobicContact CB-CB 4.31Å; H339-F355 HydrophobicContact CB-CD1 3.58Å; H339-F355 HydrophobicContact CB-CE1 4.05Å; H339-F355 HydrophobicContact CB-CG 4.06Å; H339-F355 AromaticContact CD2-CG 3.99Å; H339-P356 CarbonylContact O-C 3.59Å; H339-P356 VanDerWaalsContact O-CA 3.31Å; H339-P356 WeakPolarHBondContact O-CA 3.06Å; H339-R357 PolarHBondContact O-N 2.83Å; H339-A638 VanDerWaalsContact CE1-C 3.49Å; H339-A638 PolarHBondContact CE1-O 2.76Å; H339-A638 VanDerWaalsContact CE1-O 3.3Å; H339-L642 WeakPolarHBondContact CE1-CD1 3.2Å; H339-Y688 WeakPolarHBondContact CB-OH 3.47Å; H339-Y688 AromaticContact ND1-CZ 3.88Å; H339-Y688 PolarHBondContact ND1-OH 3.46Å
340Y91.2Very high86.4Confident9 Ų939.3 Ų39.34%0.03520%0.198CC..G310 helixtrans-123.620.7178.5-64.4-79.3000113.6D337 P338 F355 R357 H359 R687 Y688D337-Y340 PolarHBondContact O-N 3.46Å; D337-Y340 VanDerWaalsContact O-N 3.1Å; D337-Y340 WeakPolarHBondContact OD2-CD2 3.49Å; P338-Y340 PolarHBondContact O-N 3.49Å; Y340-F355 HydrophobicContact CE1-CE1 4.42Å; Y340-F355 HydrophobicContact CE2-CE1 4.32Å; Y340-F355 AromaticContact CZ-CE1 3.94Å; Y340-R357 WeakPolarHBondContact CA-O 3.4Å; Y340-R357 HydrophobicContact CD1-CB 4.02Å; Y340-R357 HydrophobicContact CE1-CB 3.98Å; Y340-H359 HydrophobicContact CD1-CB 3.93Å; Y340-H359 HydrophobicContact CG-CB 4.43Å; Y340-R687 HydrophobicContact CD2-CB 4.43Å; Y340-R687 HydrophobicContact CE1-CB 4.12Å; Y340-R687 HydrophobicContact CE2-CB 3.75Å; Y340-R687 PolarHBondContact OH-O 3.32Å; Y340-R687 VanDerWaalsContact OH-O 3.07Å; Y340-Y688 HydrophobicContact CE2-CD2 4.23Å; Y340-Y688 HydrophobicContact CE2-CE1 4.13Å; Y340-Y688 AromaticContact CE2-CE2 3.68Å; Y340-Y688 HydrophobicContact CE2-CE2 3.68Å; Y340-Y688 AromaticContact CE2-CZ 3.62Å
341I88Confident86.9Confident15 Ų1545.4 Ų45.48%0.07723%0.225CC..SBendtrans-111.9123.4178.2-61.4168.7000108.6D337 P338 N343 A344 V362 Y614D337-I341 WeakPolarHBondContact O-CG1 3.41Å; P338-I341 PolarHBondContact O-N 3.47Å; I341-N343 PolarHBondContact O-N 2.98Å; I341-A344 HydrophobicContact CB-CB 3.94Å; I341-A344 HydrophobicContact CG2-CB 4.13Å; I341-A344 PolarHBondContact O-N 3.29Å; I341-V362 HydrophobicContact CG1-CG1 4.13Å; I341-V362 HydrophobicContact CG2-CG1 4.45Å; I341-Y614 HydrophobicContact CD1-CD1 3.91Å; I341-Y614 HydrophobicContact CD1-CD2 4.1Å; I341-Y614 HydrophobicContact CD1-CG 3.58Å; I341-Y614 HydrophobicContact CG2-CD1 4.09Å
342E79Confident87.3Confident122 Ų12249.2 Ų49.257%0.5725%0.253SS*.THydrogen-bonded Turntrans-63.9128179.2-160.6154.6-159.900109A344 K358E342-A344 PolarHBondContact O-N 3.33Å; E342-K358 VanDerWaalsContact CD-NZ 3.29Å; E342-K358 IonicContact OE1-NZ 2.72Å; E342-K358 PolarHBondContact OE1-NZ 3.36Å; E342-K358 IonicContact OE2-NZ 2.8Å; E342-K358 PolarHBondContact OE2-NZ 2.82Å
343N82.3Confident87.7Confident156 Ų15650 Ų5083%0.83426%0.259SS*.THydrogen-bonded Turntrans68.713.4-174.6-45.8-46.9000117.5I341I341-N343 PolarHBondContact O-N 2.98Å
344A85.7Confident88.3Confident12 Ų1251.1 Ų51.110%0.09928%0.276CS..  trans-67.7143.7170.600000112.4P338 I341 E342 Y614P338-A344 HydrophobicContact CB-CB 3.88Å; P338-A344 WeakPolarHBondContact O-CB 3.3Å; I341-A344 HydrophobicContact CB-CB 3.94Å; I341-A344 HydrophobicContact CG2-CB 4.13Å; I341-A344 PolarHBondContact O-N 3.29Å; E342-A344 PolarHBondContact O-N 3.33Å; A344-Y614 HydrophobicContact CB-CD1 4.33Å; A344-Y614 HydrophobicContact CB-CE1 3.73Å
345T87.9Confident88.9Confident96 Ų9648.6 Ų48.659%0.58927%0.266SS*.  trans-69.6134.4167.544.70000109.8V635T345-V635 WeakPolarHBondContact O-CG2 3.43Å
346V90.2Very high89.3Confident16 Ų1651 Ų5110%0.09728%0.282CS..  trans-142157.9178.9-59.90000109.6P338 A350 K351P338-V346 HydrophobicContact CB-CG1 4.4Å; V346-A350 HydrophobicContact CB-CB 3.87Å; V346-A350 HydrophobicContact CG2-CB 4.15Å; V346-K351 HydrophobicContact CG2-CG 3.86Å
347S92.1Very high89.5Confident29 Ų2952.9 Ų52.920%0.20329%0.289CS..  trans-65163.8178.370.90000113.5F349 A350 K351 D639S347-F349 PolarHBondContact O-N 2.86Å; S347-F349 PolarHBondContact OG-N 3.32Å; S347-A350 PolarHBondContact O-N 3.47Å; S347-A350 WeakPolarHBondContact OG-CB 3.38Å; S347-A350 PolarHBondContact OG-N 2.88Å; S347-K351 WeakPolarHBondContact O-CG 3.45Å; S347-K351 PolarHBondContact O-N 2.93Å; S347-D639 VanDerWaalsContact CB-OD1 3.28Å; S347-D639 WeakPolarHBondContact CB-OD1 3.24Å; S347-D639 VanDerWaalsContact CB-OD2 3.25Å; S347-D639 WeakPolarHBondContact CB-OD2 3.32Å; S347-D639 VanDerWaalsContact OG-CG 3.28Å; S347-D639 PolarHBondContact OG-OD1 3.33Å; S347-D639 PolarHBondContact OG-OD2 3.29Å
348E91.3Very high89.4Confident166 Ų16660 Ų6078%0.77632%0.32SS*.Hα-helixtrans-62.1-32.7172.4-63.1179.9165.800112.3K351 S352E348-K351 WeakPolarHBondContact O-CB 3.47Å; E348-K351 PolarHBondContact O-N 3.46Å; E348-S352 PolarHBondContact O-N 3.29Å
349F90.4Very high89.2Confident94 Ų9461 Ų6141%0.41232%0.324SS..Hα-helixtrans-68.7-39.9174-175.4-100.8000112.3S347 K351 S352 C353 L642 T643S347-F349 PolarHBondContact O-N 2.86Å; S347-F349 PolarHBondContact OG-N 3.32Å; F349-K351 VanDerWaalsContact C-N 3.33Å; F349-S352 PolarHBondContact O-N 2.93Å; F349-S352 PolarHBondContact O-OG 3.5Å; F349-C353 PolarHBondContact O-N 2.69Å; F349-C353 VanDerWaalsContact O-N 3.07Å; F349-C353 PolarHBondContact O-SG 2.91Å; F349-C353 VanDerWaalsContact O-SG 3.34Å; F349-L642 HydrophobicContact CD1-CB 4.27Å; F349-L642 HydrophobicContact CE1-CB 3.93Å; F349-T643 HydrophobicContact CD1-CG2 3.49Å; F349-T643 VanDerWaalsContact CD1-CG2 3.49Å; F349-T643 HydrophobicContact CE1-CG2 3.65Å; F349-T643 HydrophobicContact CG-CG2 4.2Å; F349-T643 HydrophobicContact CZ-CG2 4.46Å
350A91.3Very high89Confident0 Ų062.9 Ų62.90%034%0.337CS..Hα-helixtrans-63-40.8172.100000111.4H339 V346 S347 C353 G354 F355 L642H339-A350 WeakPolarHBondContact NE2-CB 3.46Å; V346-A350 HydrophobicContact CB-CB 3.87Å; V346-A350 HydrophobicContact CG2-CB 4.15Å; S347-A350 PolarHBondContact O-N 3.47Å; S347-A350 WeakPolarHBondContact OG-CB 3.38Å; S347-A350 PolarHBondContact OG-N 2.88Å; A350-C353 CarbonylContact O-C 3.56Å; A350-C353 WeakPolarHBondContact O-CB 3.39Å; A350-C353 PolarHBondContact O-N 3.28Å; A350-G354 PolarHBondContact O-N 3.11Å; A350-F355 HydrophobicContact CB-CB 4.28Å; A350-F355 WeakPolarHBondContact O-CB 3.47Å; A350-F355 PolarHBondContact O-N 3.28Å; A350-L642 HydrophobicContact CB-CD1 4.07Å
351K92.1Very high88.8Confident130 Ų13063 Ų6357%0.56534%0.338SS*.Hα-helixtrans-60.3-44.2173.4-67.2173.7-169.5173.20112.2V346 S347 E348 F349 C353 G354 F355V346-K351 HydrophobicContact CG2-CG 3.86Å; S347-K351 WeakPolarHBondContact O-CG 3.45Å; S347-K351 PolarHBondContact O-N 2.93Å; E348-K351 WeakPolarHBondContact O-CB 3.47Å; E348-K351 PolarHBondContact O-N 3.46Å; F349-K351 VanDerWaalsContact C-N 3.33Å; K351-C353 PolarHBondContact O-N 2.85Å; K351-G354 WeakPolarHBondContact O-CA 3.22Å; K351-G354 PolarHBondContact O-N 3.14Å; K351-F355 WeakPolarHBondContact CA-O 3.47Å
352S90.3Very high88.7Confident93 Ų9364.3 Ų64.365%0.6535%0.346SS*.Hα-helixtrans-65.9-27.317775.30000112.9E348 F349 G354E348-S352 PolarHBondContact O-N 3.29Å; F349-S352 PolarHBondContact O-N 2.93Å; F349-S352 PolarHBondContact O-OG 3.5Å; S352-G354 PolarHBondContact O-N 2.75Å
353C88.6Confident89Confident23 Ų2358.6 Ų58.616%0.15532%0.319CS..THydrogen-bonded Turntrans-791.4169.8-670000114F349 A350 K351 F355 R357 L642 F691F349-C353 PolarHBondContact O-N 2.69Å; F349-C353 VanDerWaalsContact O-N 3.07Å; F349-C353 PolarHBondContact O-SG 2.91Å; F349-C353 VanDerWaalsContact O-SG 3.34Å; A350-C353 CarbonylContact O-C 3.56Å; A350-C353 WeakPolarHBondContact O-CB 3.39Å; A350-C353 PolarHBondContact O-N 3.28Å; K351-C353 PolarHBondContact O-N 2.85Å; C353-F355 HydrophobicContact CB-CD2 3.71Å; C353-F355 HydrophobicContact CB-CE2 3.88Å; C353-R357 PolarHBondContact O-NH2 2.86Å; C353-L642 HydrophobicContact CB-CD1 4.39Å; C353-F691 HydrophobicContact CB-CE2 3.84Å; C353-F691 HydrophobicContact CB-CZ 4.29Å
354G88.8Confident89.1Confident43 Ų4351.2 Ų51.244%0.44328%0.28SS..THydrogen-bonded Turntrans72.944.7-178.900000113.3A350 K351 S352 R357A350-G354 PolarHBondContact O-N 3.11Å; K351-G354 WeakPolarHBondContact O-CA 3.22Å; K351-G354 PolarHBondContact O-N 3.14Å; S352-G354 PolarHBondContact O-N 2.75Å; G354-R357 WeakPolarHBondContact O-CG 3.34Å; G354-R357 PolarHBondContact O-NE 2.92Å
355F91.7Very high89.1Confident7 Ų751.7 Ų51.73%0.03128%0.279CS..  trans-117.2154.6170.1-64.3-78.2000111.2H339 Y340 A350 K351 C353 R357 L642 Y688 F691H339-F355 HydrophobicContact CB-CB 4.31Å; H339-F355 HydrophobicContact CB-CD1 3.58Å; H339-F355 HydrophobicContact CB-CE1 4.05Å; H339-F355 HydrophobicContact CB-CG 4.06Å; H339-F355 AromaticContact CD2-CG 3.99Å; Y340-F355 HydrophobicContact CE1-CE1 4.42Å; Y340-F355 HydrophobicContact CE2-CE1 4.32Å; Y340-F355 AromaticContact CZ-CE1 3.94Å; A350-F355 HydrophobicContact CB-CB 4.28Å; A350-F355 WeakPolarHBondContact O-CB 3.47Å; A350-F355 PolarHBondContact O-N 3.28Å; K351-F355 WeakPolarHBondContact CA-O 3.47Å; C353-F355 HydrophobicContact CB-CD2 3.71Å; C353-F355 HydrophobicContact CB-CE2 3.88Å; F355-R357 HydrophobicContact CD1-CB 4.28Å; F355-R357 HydrophobicContact CD1-CG 3.62Å; F355-R357 HydrophobicContact CE1-CG 3.96Å; F355-R357 HydrophobicContact CG-CG 4.42Å; F355-L642 HydrophobicContact CD2-CD1 3.68Å; F355-L642 HydrophobicContact CD2-CD2 4.49Å; F355-L642 HydrophobicContact CE2-CD1 3.76Å; F355-L642 HydrophobicContact CE2-CD2 3.73Å; F355-L642 HydrophobicContact CE2-CG 4.41Å; F355-L642 HydrophobicContact CZ-CD2 4.25Å; F355-Y688 HydrophobicContact CE1-CE1 4.05Å; F355-Y688 HydrophobicContact CE2-CE1 4.48Å; F355-Y688 AromaticContact CZ-CD1 3.95Å; F355-Y688 HydrophobicContact CZ-CD1 3.95Å; F355-Y688 AromaticContact CZ-CE1 3.73Å; F355-Y688 HydrophobicContact CZ-CE1 3.73Å; F355-F691 HydrophobicContact CE2-CD2 4.32Å; F355-F691 HydrophobicContact CE2-CE2 4.45Å
356P91.3Very high89.1Confident55 Ų5547.3 Ų47.336%0.35725%0.252SS..SBendcis-70.2151.6-1.331.8-36.2000112.4H339H339-P356 CarbonylContact O-C 3.59Å; H339-P356 VanDerWaalsContact O-CA 3.31Å; H339-P356 WeakPolarHBondContact O-CA 3.06Å
357R89.9Confident88.8Confident43 Ų4349.3 Ų49.316%0.16226%0.258CS..  trans-109.5135.4178.5-68.1-179.4-174.3-171.7-0.1109.9H339 Y340 C353 G354 F355 H359H339-R357 PolarHBondContact O-N 2.83Å; Y340-R357 WeakPolarHBondContact CA-O 3.4Å; Y340-R357 HydrophobicContact CD1-CB 4.02Å; Y340-R357 HydrophobicContact CE1-CB 3.98Å; C353-R357 PolarHBondContact O-NH2 2.86Å; G354-R357 WeakPolarHBondContact O-CG 3.34Å; G354-R357 PolarHBondContact O-NE 2.92Å; F355-R357 HydrophobicContact CD1-CB 4.28Å; F355-R357 HydrophobicContact CD1-CG 3.62Å; F355-R357 HydrophobicContact CE1-CG 3.96Å; F355-R357 HydrophobicContact CG-CG 4.42Å; R357-H359 PolarHBondContact O-N 2.84Å
358K88.2Confident88.3Confident152 Ų15249.4 Ų49.466%0.66126%0.258SS*.  trans-63.7126.3169.5-167.5170.2-166.7106.40109.2E342E342-K358 VanDerWaalsContact CD-NZ 3.29Å; E342-K358 IonicContact OE1-NZ 2.72Å; E342-K358 PolarHBondContact OE1-NZ 3.36Å; E342-K358 IonicContact OE2-NZ 2.8Å; E342-K358 PolarHBondContact OE2-NZ 2.82Å
359H89.5Confident87.7Confident20 Ų2043.9 Ų43.99%0.09323%0.232CC..  trans-117.3149.7174.9-168.1-103.2000109.1Y340 R357 H361 R687 Y805Y340-H359 HydrophobicContact CD1-CB 3.93Å; Y340-H359 HydrophobicContact CG-CB 4.43Å; R357-H359 PolarHBondContact O-N 2.84Å; H359-H361 AromaticContact CE1-CD2 3.63Å; H359-H361 AromaticContact CE1-CE1 3.7Å; H359-H361 AromaticContact CE1-NE2 3.33Å; H359-H361 PolarHBondContact CE1-NE2 3.18Å; H359-H361 VanDerWaalsContact CE1-NE2 3.33Å; H359-H361 AromaticContact ND1-CD2 3.83Å; H359-H361 AromaticContact ND1-CE1 3.89Å; H359-H361 AromaticContact ND1-CG 3.87Å; H359-H361 PolarHBondContact ND1-N 3.13Å; H359-H361 AromaticContact ND1-ND1 3.9Å; H359-H361 AromaticContact ND1-NE2 3.83Å; H359-H361 PolarHBondContact ND1-O 3.02Å; H359-H361 PolarHBondContact O-N 2.87Å; H359-R687 WeakPolarHBondContact NE2-CD 3.42Å; H359-Y805 AromaticContact CE1-CD1 3.97Å; H359-Y805 AromaticContact NE2-CD1 3.55Å
360P88.4Confident87.5Confident40 Ų4039.4 Ų39.426%0.2621%0.213SC..SBendtrans-61.6-13-179.9-29.239.7000115.4A158 Y805A158-P360 HydrophobicContact CB-CB 4.3Å; A158-P360 WeakPolarHBondContact CB-O 3.49Å; P360-Y805 HydrophobicContact CB-CE1 3.9Å; P360-Y805 HydrophobicContact CB-CE2 4.45Å; P360-Y805 HydrophobicContact CG-CD1 3.93Å; P360-Y805 HydrophobicContact CG-CD2 4.11Å; P360-Y805 HydrophobicContact CG-CE1 3.66Å; P360-Y805 HydrophobicContact CG-CE2 3.86Å; P360-Y805 HydrophobicContact CG-CG 4.15Å
361H88.9Confident87.1Confident12 Ų1240.1 Ų40.16%0.05622%0.216CC..  trans-147.5153169.167.776.1000111.9L154 A158 A159 H359 L363L154-H361 CarbonylContact O-C 3.59Å; L154-H361 VanDerWaalsContact O-CA 3.24Å; L154-H361 WeakPolarHBondContact O-CA 3.42Å; L154-H361 WeakPolarHBondContact O-CB 3.21Å; A158-H361 HydrophobicContact CB-CB 4.41Å; A159-H361 HydrophobicContact CB-CB 3.8Å; H359-H361 AromaticContact CE1-CD2 3.63Å; H359-H361 AromaticContact CE1-CE1 3.7Å; H359-H361 AromaticContact CE1-NE2 3.33Å; H359-H361 PolarHBondContact CE1-NE2 3.18Å; H359-H361 VanDerWaalsContact CE1-NE2 3.33Å; H359-H361 AromaticContact ND1-CD2 3.83Å; H359-H361 AromaticContact ND1-CE1 3.89Å; H359-H361 AromaticContact ND1-CG 3.87Å; H359-H361 PolarHBondContact ND1-N 3.13Å; H359-H361 AromaticContact ND1-ND1 3.9Å; H359-H361 AromaticContact ND1-NE2 3.83Å; H359-H361 PolarHBondContact ND1-O 3.02Å; H359-H361 PolarHBondContact O-N 2.87Å; H361-L363 PolarHBondContact CE1-O 3.01Å; H361-L363 PolarHBondContact ND1-N 2.95Å; H361-L363 PolarHBondContact ND1-O 3.14Å
362V85.1Confident86.2Confident42 Ų4238 Ų3826%0.25521%0.208SC..SBendtrans-90.1-7-178-165.80000112.5L154 I341 A364L154-V362 HydrophobicContact CD2-CB 4.33Å; L154-V362 PolarHBondContact O-N 3.39Å; I341-V362 HydrophobicContact CG1-CG1 4.13Å; I341-V362 HydrophobicContact CG2-CG1 4.45Å; V362-A364 PolarHBondContact O-N 3.14Å
363L85Confident85.4Confident2 Ų235.5 Ų35.51%0.0119%0.191CC..  trans-68.358.2170.3-59.4178.2000112.1Y151 L154 A159 Y331 H361 Y365Y151-L363 HydrophobicContact CE1-CD1 4.44Å; L154-L363 HydrophobicContact CD1-CD2 4.15Å; A159-L363 HydrophobicContact CB-CD1 3.93Å; A159-L363 HydrophobicContact CB-CG 4.23Å; A159-L363 WeakPolarHBondContact O-CD1 3.37Å; Y331-L363 HydrophobicContact CD2-CD2 4.17Å; Y331-L363 HydrophobicContact CE2-CD2 4.3Å; H361-L363 PolarHBondContact CE1-O 3.01Å; H361-L363 PolarHBondContact ND1-N 2.95Å; H361-L363 PolarHBondContact ND1-O 3.14Å; L363-Y365 HydrophobicContact CB-CE2 4.15Å; L363-Y365 HydrophobicContact CD2-CE2 4.46Å; L363-Y365 WeakPolarHBondContact CD2-OH 3.46Å
364A84.5Confident85.1Confident0 Ų034.6 Ų34.60%018%0.184CC..  trans-111.199.2-175.400000109.4S336 D337 V362S336-A364 CarbonylContact C-O 3.56Å; S336-A364 WeakPolarHBondContact CA-O 3.43Å; D337-A364 HydrophobicContact CB-CB 4.35Å; D337-A364 VanDerWaalsContact CB-O 3.31Å; D337-A364 WeakPolarHBondContact CB-O 3.49Å; D337-A364 PolarHBondContact N-O 3.29Å; V362-A364 PolarHBondContact O-N 3.14Å
365Y86.3Confident84.5Confident23 Ų2334.4 Ų34.49%0.0917%0.173CC..BIsolated β-bridgetrans-105.7149.9177.5-49.1-69.4000112.1R332 Y334 P335 L363 R687R332-Y365 HydrophobicContact CG-CE1 4.42Å; R332-Y365 WeakPolarHBondContact CG-OH 3.37Å; Y334-Y365 WeakPolarHBondContact O-CD1 3.28Å; P335-Y365 CarbonylContact O-C 3.43Å; P335-Y365 VanDerWaalsContact O-CA 3.29Å; P335-Y365 WeakPolarHBondContact O-CA 3.37Å; L363-Y365 HydrophobicContact CB-CE2 4.15Å; L363-Y365 HydrophobicContact CD2-CE2 4.46Å; L363-Y365 WeakPolarHBondContact CD2-OH 3.46Å; Y365-R687 PolarHBondContact O-NH2 3.22Å
366L87.2Confident83.4Confident4 Ų438 Ų382%0.02119%0.189CC..  trans-75.2146.6169.7-64.2170.2000109.5Y334 P335 D337 L370 L637 A638 L641Y334-L366 WeakPolarHBondContact CB-O 3.42Å; P335-L366 PolarHBondContact O-N 3.38Å; D337-L366 HydrophobicContact CB-CD2 3.75Å; D337-L366 HydrophobicContact CB-CG 3.82Å; D337-L366 VanDerWaalsContact CG-CD2 3.44Å; L366-L370 HydrophobicContact CB-CD2 4.25Å; L366-L370 HydrophobicContact CD2-CD2 3.91Å; L366-L637 HydrophobicContact CB-CD2 4.2Å; L366-L637 HydrophobicContact CD1-CB 4.27Å; L366-L637 HydrophobicContact CD1-CD2 3.52Å; L366-L637 HydrophobicContact CD1-CG 3.82Å; L366-L637 HydrophobicContact CG-CD2 4.47Å; L366-A638 HydrophobicContact CD1-CB 4.39Å; L366-L641 HydrophobicContact CD2-CD2 4.46Å
367R84.8Confident82.8Confident58 Ų5837 Ų3722%0.21918%0.183CC..  trans-81.4151.3-172.3-75.6-163.766.793.69.1113E369 L370 I371 H680R367-E369 VanDerWaalsContact C-N 3.33Å; R367-E369 WeakPolarHBondContact CB-OE2 3.32Å; R367-E369 IonicContact CZ-OE1 3.96Å; R367-E369 IonicContact CZ-OE2 3.33Å; R367-E369 IonicContact NE-OE1 2.72Å; R367-E369 IonicContact NE-OE2 3.57Å; R367-E369 PolarHBondContact NE-OE2 3.21Å; R367-E369 IonicContact NH2-OE1 2.76Å; R367-E369 PolarHBondContact NH2-OE1 2.9Å; R367-E369 IonicContact NH2-OE2 2.98Å; R367-E369 PolarHBondContact NH2-OE2 3.13Å; R367-E369 PolarHBondContact O-N 3.32Å; R367-L370 WeakPolarHBondContact O-CB 3.44Å; R367-L370 PolarHBondContact O-N 3.16Å; R367-I371 WeakPolarHBondContact O-CG1 3.36Å; R367-I371 PolarHBondContact O-N 3.16Å; R367-H680 PolarHBondContact NH1-CD2 2.68Å; R367-H680 PolarHBondContact NH1-CE1 3.49Å; R367-H680 PolarHBondContact NH1-ND1 3.21Å; R367-H680 PolarHBondContact NH1-NE2 3.21Å
368P79.7Confident82.1Confident31 Ų3137.5 Ų37.520%0.20119%0.187CC..Hα-helixtrans-58.8-40.4176.622.9-32.2000113Y334 L370 I371 E372Y334-P368 HydrophobicContact CE1-CB 3.73Å; Y334-P368 HydrophobicContact CE1-CG 4.17Å; Y334-P368 HydrophobicContact CE2-CB 4.46Å; Y334-P368 HydrophobicContact CE2-CG 4.01Å; P368-L370 PolarHBondContact O-N 2.97Å; P368-I371 WeakPolarHBondContact O-CA 3.33Å; P368-I371 WeakPolarHBondContact O-CB 3.46Å; P368-I371 PolarHBondContact O-N 3.07Å; P368-E372 PolarHBondContact O-N 3.04Å
369E80.7Confident81Confident49 Ų4931.1 Ų31.123%0.22916%0.16CC..Hα-helixtrans-65.4-27.3-178.2-50.690.3159.800111.8R367 S373R367-E369 VanDerWaalsContact C-N 3.33Å; R367-E369 WeakPolarHBondContact CB-OE2 3.32Å; R367-E369 IonicContact CZ-OE1 3.96Å; R367-E369 IonicContact CZ-OE2 3.33Å; R367-E369 IonicContact NE-OE1 2.72Å; R367-E369 IonicContact NE-OE2 3.57Å; R367-E369 PolarHBondContact NE-OE2 3.21Å; R367-E369 IonicContact NH2-OE1 2.76Å; R367-E369 PolarHBondContact NH2-OE1 2.9Å; R367-E369 IonicContact NH2-OE2 2.98Å; R367-E369 PolarHBondContact NH2-OE2 3.13Å; R367-E369 PolarHBondContact O-N 3.32Å; E369-S373 WeakPolarHBondContact O-CB 3.3Å; E369-S373 PolarHBondContact O-N 2.92Å; E369-S373 VanDerWaalsContact O-N 3.14Å
370L84.9Confident79.8Confident1 Ų132 Ų321%0.00517%0.168CC..Hα-helixtrans-70.7-41.5171.7174.663.8000111.4L366 R367 P368 S373 F374 L637 F640 L641 Q645L366-L370 HydrophobicContact CB-CD2 4.25Å; L366-L370 HydrophobicContact CD2-CD2 3.91Å; R367-L370 WeakPolarHBondContact O-CB 3.44Å; R367-L370 PolarHBondContact O-N 3.16Å; P368-L370 PolarHBondContact O-N 2.97Å; L370-S373 PolarHBondContact O-N 2.98Å; L370-F374 VanDerWaalsContact O-CB 3.3Å; L370-F374 WeakPolarHBondContact O-CB 3.34Å; L370-F374 PolarHBondContact O-N 3.42Å; L370-L637 HydrophobicContact CD2-CD1 4.45Å; L370-L637 HydrophobicContact CD2-CG 4.4Å; L370-L637 HydrophobicContact CG-CD1 4.02Å; L370-L637 HydrophobicContact CG-CG 4.49Å; L370-F640 HydrophobicContact CD1-CD1 3.81Å; L370-F640 HydrophobicContact CD1-CE1 4.13Å; L370-L641 HydrophobicContact CD1-CB 4.12Å; L370-L641 HydrophobicContact CD1-CD1 4.11Å; L370-L641 HydrophobicContact CD2-CB 3.94Å; L370-L641 HydrophobicContact CD2-CD1 4.24Å; L370-L641 HydrophobicContact CD2-CD2 4.12Å; L370-L641 HydrophobicContact CD2-CG 4.33Å; L370-Q645 HydrophobicContact CD1-CB 4.34Å; L370-Q645 HydrophobicContact CD1-CG 3.66Å
371I82.8Confident78.8Confident15 Ų1532.2 Ų32.28%0.07717%0.173CC..Hα-helixtrans-64.9-47.3178.8-58.1165.9000109.8Y334 P335 R367 P368 S373 F374 I375 F609 L637Y334-I371 HydrophobicContact CD1-CD1 4.14Å; P335-I371 VanDerWaalsContact CD-CD1 3.4Å; P335-I371 HydrophobicContact CG-CD1 3.71Å; P335-I371 HydrophobicContact CG-CG1 4.36Å; R367-I371 WeakPolarHBondContact O-CG1 3.36Å; R367-I371 PolarHBondContact O-N 3.16Å; P368-I371 WeakPolarHBondContact O-CA 3.33Å; P368-I371 WeakPolarHBondContact O-CB 3.46Å; P368-I371 PolarHBondContact O-N 3.07Å; I371-S373 VanDerWaalsContact C-N 3.35Å; I371-S373 PolarHBondContact O-N 3.29Å; I371-F374 PolarHBondContact O-N 3.43Å; I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.37Å; I371-I375 WeakPolarHBondContact O-CB 3.4Å; I371-I375 VanDerWaalsContact O-CG1 3.28Å; I371-I375 WeakPolarHBondContact O-CG1 3.49Å; I371-I375 PolarHBondContact O-N 2.82Å; I371-F609 HydrophobicContact CG2-CD2 4.47Å; I371-F609 HydrophobicContact CG2-CE2 3.98Å; I371-L637 HydrophobicContact CG1-CD2 3.87Å
372E74Confident77.5Confident84 Ų8434.5 Ų34.539%0.39318%0.183SC..Hα-helixtrans-55.9-48.3174.7-70.5177.1169.900111.2P368 F374 I375 H376P368-E372 PolarHBondContact O-N 3.04Å; E372-F374 VanDerWaalsContact C-N 3.34Å; E372-F374 PolarHBondContact O-N 3Å; E372-I375 PolarHBondContact O-N 3.29Å; E372-H376 WeakPolarHBondContact O-CB 3.34Å; E372-H376 PolarHBondContact O-N 2.77Å
373S73.8Confident76.1Confident42 Ų4234.5 Ų34.529%0.29419%0.185SC..Hα-helixtrans-69-30.1179.9-155.90000113.3E369 L370 I371 C377 Q645E369-S373 WeakPolarHBondContact O-CB 3.3Å; E369-S373 PolarHBondContact O-N 2.92Å; E369-S373 VanDerWaalsContact O-N 3.14Å; L370-S373 PolarHBondContact O-N 2.98Å; I371-S373 VanDerWaalsContact C-N 3.35Å; I371-S373 PolarHBondContact O-N 3.29Å; S373-C377 VanDerWaalsContact O-CB 3.29Å; S373-C377 WeakPolarHBondContact O-CB 2.92Å; S373-C377 PolarHBondContact O-N 3.4Å; S373-Q645 VanDerWaalsContact CB-NE2 3.33Å; S373-Q645 PolarHBondContact OG-NE2 3.46Å
374F82.4Confident74.8Confident4 Ų439.2 Ų39.22%0.01820%0.202CC..Hα-helixtrans-69.8-48.3173177.7-109.7000111.8L370 I371 E372 H376 C377 K378 L607 F609 L633 E636 L637 F640L370-F374 VanDerWaalsContact O-CB 3.3Å; L370-F374 WeakPolarHBondContact O-CB 3.34Å; L370-F374 PolarHBondContact O-N 3.42Å; I371-F374 PolarHBondContact O-N 3.43Å; E372-F374 VanDerWaalsContact C-N 3.34Å; E372-F374 PolarHBondContact O-N 3Å; F374-H376 VanDerWaalsContact C-N 3.33Å; F374-H376 PolarHBondContact O-N 3.29Å; F374-C377 PolarHBondContact O-N 2.94Å; F374-C377 VanDerWaalsContact O-N 3.17Å; F374-K378 HydrophobicContact CD1-CG 4.39Å; F374-K378 HydrophobicContact CD2-CG 4.35Å; F374-K378 HydrophobicContact CE1-CG 4.22Å; F374-K378 HydrophobicContact CE2-CD 4.5Å; F374-K378 HydrophobicContact CE2-CG 4.18Å; F374-K378 HydrophobicContact CG-CG 4.49Å; F374-K378 HydrophobicContact CZ-CD 4.37Å; F374-K378 HydrophobicContact CZ-CG 4.13Å; F374-K378 WeakPolarHBondContact O-CB 3.22Å; F374-K378 WeakPolarHBondContact O-CG 3.07Å; F374-K378 PolarHBondContact O-N 3.02Å; F374-L607 HydrophobicContact CE1-CD2 4.06Å; F374-F609 HydrophobicContact CD1-CZ 4.12Å; F374-F609 AromaticContact CE1-CZ 3.97Å; F374-F609 HydrophobicContact CE1-CZ 3.97Å; F374-L633 HydrophobicContact CE1-CD1 4.09Å; F374-L633 HydrophobicContact CZ-CD1 4.27Å; F374-E636 HydrophobicContact CE2-CG 4.16Å; F374-E636 HydrophobicContact CZ-CB 4.46Å; F374-E636 HydrophobicContact CZ-CG 4.15Å; F374-L637 HydrophobicContact CB-CD1 3.4Å; F374-L637 VanDerWaalsContact CB-CD1 3.4Å; F374-L637 HydrophobicContact CD1-CD1 3.65Å; F374-L637 HydrophobicContact CD2-CD1 3.99Å; F374-L637 HydrophobicContact CE1-CD1 4.31Å; F374-L637 HydrophobicContact CG-CD1 3.43Å; F374-L637 VanDerWaalsContact CG-CD1 3.43Å; F374-F640 HydrophobicContact CB-CD1 3.75Å; F374-F640 HydrophobicContact CB-CE1 3.63Å; F374-F640 HydrophobicContact CB-CZ 4.41Å; F374-F640 HydrophobicContact CD2-CB 3.79Å; F374-F640 AromaticContact CD2-CD1 3.6Å; F374-F640 HydrophobicContact CD2-CD1 3.6Å; F374-F640 HydrophobicContact CD2-CD2 4.11Å; F374-F640 HydrophobicContact CD2-CE1 4.09Å; F374-F640 AromaticContact CD2-CG 3.59Å; F374-F640 HydrophobicContact CD2-CG 3.59Å; F374-F640 HydrophobicContact CE2-CB 4.05Å; F374-F640 HydrophobicContact CE2-CG 4.28Å; F374-F640 HydrophobicContact CG-CD1 4.14Å; F374-F640 HydrophobicContact CG-CE1 4.38Å
375I75.9Confident73.7Confident39 Ų3942 Ų4220%0.223%0.225CC..Hα-helixtrans-56.9-48.6174.8-69.1166.8000109.6L261 I371 E372 C377 K378 L379 L607L261-I375 HydrophobicContact CD1-CG2 4.03Å; I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.37Å; I371-I375 WeakPolarHBondContact O-CB 3.4Å; I371-I375 VanDerWaalsContact O-CG1 3.28Å; I371-I375 WeakPolarHBondContact O-CG1 3.49Å; I371-I375 PolarHBondContact O-N 2.82Å; E372-I375 PolarHBondContact O-N 3.29Å; I375-C377 PolarHBondContact O-N 3.3Å; I375-K378 PolarHBondContact O-N 3.03Å; I375-L379 HydrophobicContact CG2-CD1 3.71Å; I375-L379 HydrophobicContact CG2-CG 4.29Å; I375-L379 WeakPolarHBondContact O-CB 3.33Å; I375-L379 WeakPolarHBondContact O-CG 3.12Å; I375-L379 PolarHBondContact O-N 3.21Å; I375-L607 HydrophobicContact CB-CD1 4.33Å; I375-L607 HydrophobicContact CG1-CD1 3.86Å; I375-L607 HydrophobicContact CG2-CD1 4.46Å
376H69Low72.3Confident82 Ų8242.1 Ų42.138%0.3823%0.226SC..Hα-helixtrans-57.9-45.5175.8-179.9-107.4000112.3L261 E372 F374 K378 S380L261-H376 HydrophobicContact CD2-CB 3.93Å; E372-H376 WeakPolarHBondContact O-CB 3.34Å; E372-H376 PolarHBondContact O-N 2.77Å; F374-H376 VanDerWaalsContact C-N 3.33Å; F374-H376 PolarHBondContact O-N 3.29Å; H376-K378 PolarHBondContact O-N 2.94Å; H376-S380 WeakPolarHBondContact O-CB 3.47Å; H376-S380 PolarHBondContact O-N 3.06Å
377C77Confident70.7Confident34 Ų3445.3 Ų45.323%0.2324%0.242CC..Hα-helixtrans-64.3-40.9178.7-168.20000112.5S373 F374 I375 A381 F640S373-C377 VanDerWaalsContact O-CB 3.29Å; S373-C377 WeakPolarHBondContact O-CB 2.92Å; S373-C377 PolarHBondContact O-N 3.4Å; F374-C377 PolarHBondContact O-N 2.94Å; F374-C377 VanDerWaalsContact O-N 3.17Å; I375-C377 PolarHBondContact O-N 3.3Å; C377-A381 WeakPolarHBondContact O-CB 3.45Å; C377-A381 PolarHBondContact O-N 3.47Å; C377-F640 HydrophobicContact CB-CE2 3.81Å; C377-F640 HydrophobicContact CB-CZ 3.73Å
378K75Confident69.4Low54 Ų5447.7 Ų47.724%0.23526%0.256CS..Hα-helixtrans-67.2-46.2177.6-75.6-79.4-164.1164.90112.1F374 I375 H376 A381 K382 F605 L607 E636F374-K378 HydrophobicContact CD1-CG 4.39Å; F374-K378 HydrophobicContact CD2-CG 4.35Å; F374-K378 HydrophobicContact CE1-CG 4.22Å; F374-K378 HydrophobicContact CE2-CD 4.5Å; F374-K378 HydrophobicContact CE2-CG 4.18Å; F374-K378 HydrophobicContact CG-CG 4.49Å; F374-K378 HydrophobicContact CZ-CD 4.37Å; F374-K378 HydrophobicContact CZ-CG 4.13Å; F374-K378 WeakPolarHBondContact O-CB 3.22Å; F374-K378 WeakPolarHBondContact O-CG 3.07Å; F374-K378 PolarHBondContact O-N 3.02Å; I375-K378 PolarHBondContact O-N 3.03Å; H376-K378 PolarHBondContact O-N 2.94Å; K378-A381 PolarHBondContact O-N 2.98Å; K378-K382 PolarHBondContact O-N 3.13Å; K378-F605 HydrophobicContact CB-CE2 4.01Å; K378-F605 HydrophobicContact CB-CZ 3.71Å; K378-L607 HydrophobicContact CB-CD1 4.06Å; K378-L607 HydrophobicContact CG-CD1 4.33Å; K378-E636 WeakPolarHBondContact CE-OE1 3.44Å; K378-E636 WeakPolarHBondContact CE-OE2 3.41Å; K378-E636 IonicContact NZ-OE1 2.71Å; K378-E636 PolarHBondContact NZ-OE1 3.3Å; K378-E636 IonicContact NZ-OE2 3.87Å; K378-E636 PolarHBondContact NZ-OE2 3.18Å
379L66.4Low68.4Low18 Ų1849.2 Ų49.29%0.09426%0.262CS..Hα-helixtrans-60.2-52.1174.3-74.2171.5000110.7F263 I375 A381 K382 S383 F605F263-L379 HydrophobicContact CZ-CB 4.48Å; F263-L379 HydrophobicContact CZ-CD1 4.46Å; I375-L379 HydrophobicContact CG2-CD1 3.71Å; I375-L379 HydrophobicContact CG2-CG 4.29Å; I375-L379 WeakPolarHBondContact O-CB 3.33Å; I375-L379 WeakPolarHBondContact O-CG 3.12Å; I375-L379 PolarHBondContact O-N 3.21Å; L379-A381 VanDerWaalsContact C-N 3.27Å; L379-A381 PolarHBondContact O-N 3.4Å; L379-K382 PolarHBondContact O-N 3.27Å; L379-K382 VanDerWaalsContact O-N 3.11Å; L379-S383 PolarHBondContact O-N 3.15Å; L379-S383 PolarHBondContact O-OG 3.31Å; L379-S383 VanDerWaalsContact O-OG 3.1Å; L379-F605 HydrophobicContact CD2-CD1 4.11Å; L379-F605 HydrophobicContact CD2-CE1 3.37Å; L379-F605 HydrophobicContact CD2-CZ 3.87Å; L379-F605 HydrophobicContact CG-CE1 3.83Å; L379-F605 HydrophobicContact CG-CZ 4.04Å
380S63.7Low67.2Low39 Ų3947.8 Ų47.827%0.27326%0.256SS..Hα-helixtrans-56.2-38.6177.1175.90000113H376 R384H376-S380 WeakPolarHBondContact O-CB 3.47Å; H376-S380 PolarHBondContact O-N 3.06Å; S380-R384 WeakPolarHBondContact O-CB 3.28Å; S380-R384 WeakPolarHBondContact O-CG 3.28Å; S380-R384 PolarHBondContact O-N 3.49Å; S380-R384 PolarHBondContact O-NE 3.29Å
381A66.7Low65.6Low43 Ų4349.1 Ų49.136%0.35527%0.27SS..Hα-helixtrans-67.3-44.8175.600000112.5C377 K378 L379 R384 A385C377-A381 WeakPolarHBondContact O-CB 3.45Å; C377-A381 PolarHBondContact O-N 3.47Å; K378-A381 PolarHBondContact O-N 2.98Å; L379-A381 VanDerWaalsContact C-N 3.27Å; L379-A381 PolarHBondContact O-N 3.4Å; A381-R384 PolarHBondContact O-N 3.49Å; A381-A385 PolarHBondContact O-N 2.86Å
382K63.3Low64.3Low60 Ų6056 Ų5626%0.26130%0.295SS..Hα-helixtrans-61.3-47173.8-84.1-163.3169.9-170.80111.6K378 L379 R384 A385 F386 S603 E604 F605K378-K382 PolarHBondContact O-N 3.13Å; L379-K382 PolarHBondContact O-N 3.27Å; L379-K382 VanDerWaalsContact O-N 3.11Å; K382-R384 VanDerWaalsContact C-N 3.35Å; K382-R384 PolarHBondContact O-N 3.41Å; K382-A385 PolarHBondContact O-N 3.47Å; K382-F386 WeakPolarHBondContact O-CB 3.46Å; K382-F386 PolarHBondContact O-N 3.43Å; K382-S603 PolarHBondContact NZ-OG 3.12Å; K382-E604 PolarHBondContact NZ-O 3.37Å; K382-F605 HydrophobicContact CD-CD2 3.69Å; K382-F605 HydrophobicContact CD-CE2 3.85Å; K382-F605 HydrophobicContact CD-CG 4.33Å; K382-F605 HydrophobicContact CG-CE2 4.48Å
383S55.1Low63.4Low42 Ų4254.9 Ų54.929%0.29429%0.29SS..Hα-helixtrans-58.7-43.2178-58.70000112.2L379 F386 I387L379-S383 PolarHBondContact O-N 3.15Å; L379-S383 PolarHBondContact O-OG 3.31Å; L379-S383 VanDerWaalsContact O-OG 3.1Å; S383-F386 PolarHBondContact O-N 3.03Å; S383-I387 WeakPolarHBondContact O-CD1 3.19Å; S383-I387 VanDerWaalsContact O-CG1 3.25Å; S383-I387 WeakPolarHBondContact O-CG1 3.17Å; S383-I387 PolarHBondContact O-N 2.93Å
384R57.9Low62.4Low102 Ų10257.2 Ų57.239%0.38530%0.295SS..Hα-helixtrans-63.6-48.1175.3-77.7-178.9-70.5133.7-6.3112.6S380 A381 K382 F386 I387 E388S380-R384 WeakPolarHBondContact O-CB 3.28Å; S380-R384 WeakPolarHBondContact O-CG 3.28Å; S380-R384 PolarHBondContact O-N 3.49Å; S380-R384 PolarHBondContact O-NE 3.29Å; A381-R384 PolarHBondContact O-N 3.49Å; K382-R384 VanDerWaalsContact C-N 3.35Å; K382-R384 PolarHBondContact O-N 3.41Å; R384-F386 PolarHBondContact O-N 3.22Å; R384-I387 PolarHBondContact O-N 2.95Å; R384-E388 PolarHBondContact O-N 3.5Å
385A60.3Low61Low57 Ų5759.7 Ų59.747%0.47131%0.308SS..Hα-helixtrans-59.8-34.5177.800000112.3A381 K382 L389A381-A385 PolarHBondContact O-N 2.86Å; K382-A385 PolarHBondContact O-N 3.47Å; A385-L389 WeakPolarHBondContact O-CB 3.01Å; A385-L389 PolarHBondContact O-N 3.44Å
386F57.2Low59.9Low27 Ų2762.2 Ų62.212%0.11832%0.318CS..Hα-helixtrans-73.1-41.3176.1-170.9-107.8000113.4K382 S383 R384 E388 L389 I390 F430 A595 I599K382-F386 WeakPolarHBondContact O-CB 3.46Å; K382-F386 PolarHBondContact O-N 3.43Å; S383-F386 PolarHBondContact O-N 3.03Å; R384-F386 PolarHBondContact O-N 3.22Å; F386-E388 VanDerWaalsContact C-N 3.3Å; F386-E388 PolarHBondContact O-N 3.33Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 PolarHBondContact O-N 3.13Å; F386-L389 VanDerWaalsContact O-N 3.13Å; F386-I390 HydrophobicContact CD1-CD1 3.74Å; F386-I390 HydrophobicContact CD1-CG1 4.3Å; F386-I390 HydrophobicContact CE1-CD1 3.27Å; F386-I390 HydrophobicContact CE1-CG1 4.05Å; F386-I390 HydrophobicContact CZ-CD1 3.81Å; F386-I390 HydrophobicContact CZ-CG1 4.27Å; F386-I390 PolarHBondContact O-N 2.76Å; F386-F430 AromaticContact CE2-CZ 3.87Å; F386-F430 HydrophobicContact CE2-CZ 3.87Å; F386-A595 HydrophobicContact CE1-CB 3.67Å; F386-A595 HydrophobicContact CZ-CB 3.67Å; F386-A595 VanDerWaalsContact CZ-O 3.23Å; F386-A595 WeakPolarHBondContact CZ-O 3.33Å; F386-I599 HydrophobicContact CB-CD1 3.99Å; F386-I599 HydrophobicContact CB-CG1 4.27Å; F386-I599 HydrophobicContact CD1-CD1 3.3Å; F386-I599 HydrophobicContact CD1-CG1 3.61Å; F386-I599 HydrophobicContact CD2-CD1 4.19Å; F386-I599 HydrophobicContact CD2-CG1 3.64Å; F386-I599 HydrophobicContact CE1-CD1 3.61Å; F386-I599 HydrophobicContact CE1-CG1 3.6Å; F386-I599 HydrophobicContact CE2-CD1 4.47Å; F386-I599 HydrophobicContact CE2-CG1 3.67Å; F386-I599 HydrophobicContact CG-CD1 3.58Å; F386-I599 HydrophobicContact CG-CG1 3.58Å; F386-I599 HydrophobicContact CZ-CD1 4.19Å; F386-I599 HydrophobicContact CZ-CG1 3.62Å
387I54.7Low58.8Low70 Ų7063.6 Ų63.636%0.35932%0.323SS..Hα-helixtrans-61.8-40.1173.3-69.1162.8000110.5W265 S383 R384 G391W265-I387 HydrophobicContact CH2-CD1 4.08Å; S383-I387 WeakPolarHBondContact O-CD1 3.19Å; S383-I387 VanDerWaalsContact O-CG1 3.25Å; S383-I387 WeakPolarHBondContact O-CG1 3.17Å; S383-I387 PolarHBondContact O-N 2.93Å; R384-I387 PolarHBondContact O-N 2.95Å; I387-G391 PolarHBondContact O-N 2.98Å
388E57.5Low57.2Low109 Ų10964.8 Ų64.851%0.50932%0.322SS..Hα-helixtrans-61.9-41.5171.6-75.9-174.7-150.800112.6R384 F386 G391 R392R384-E388 PolarHBondContact O-N 3.5Å; F386-E388 VanDerWaalsContact C-N 3.3Å; F386-E388 PolarHBondContact O-N 3.33Å; E388-G391 PolarHBondContact O-N 2.97Å; E388-R392 WeakPolarHBondContact O-CG 3.45Å; E388-R392 PolarHBondContact O-N 3.41Å; E388-R392 IonicContact OE2-NH2 3.55Å; E388-R392 PolarHBondContact OE2-NH2 2.91Å
389L57.8Low55.9Low63 Ų6368.4 Ų68.433%0.3334%0.34SS..Hα-helixtrans-64.2-50.6178.3-175.261.2000111.1A385 F386 G391 R392 H393 F430A385-L389 WeakPolarHBondContact O-CB 3.01Å; A385-L389 PolarHBondContact O-N 3.44Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 PolarHBondContact O-N 3.13Å; F386-L389 VanDerWaalsContact O-N 3.13Å; L389-G391 VanDerWaalsContact C-N 3.31Å; L389-G391 PolarHBondContact O-N 3.3Å; L389-R392 WeakPolarHBondContact O-CB 3.2Å; L389-R392 PolarHBondContact O-N 3.32Å; L389-R392 VanDerWaalsContact O-N 3.11Å; L389-H393 WeakPolarHBondContact CD1-NE2 3.48Å; L389-H393 PolarHBondContact O-CD2 3.32Å; L389-H393 PolarHBondContact O-N 2.87Å; L389-F430 HydrophobicContact CD2-CE1 3.74Å; L389-F430 HydrophobicContact CD2-CZ 4.01Å
390I55.3Low54.8Low18 Ų1873.1 Ų73.19%0.09237%0.365CS..Hα-helixtrans-54.6-47.1172.8-75.7-175.8000110.7F386 R392 H393 F394 A595F386-I390 HydrophobicContact CD1-CD1 3.74Å; F386-I390 HydrophobicContact CD1-CG1 4.3Å; F386-I390 HydrophobicContact CE1-CD1 3.27Å; F386-I390 HydrophobicContact CE1-CG1 4.05Å; F386-I390 HydrophobicContact CZ-CD1 3.81Å; F386-I390 HydrophobicContact CZ-CG1 4.27Å; F386-I390 PolarHBondContact O-N 2.76Å; I390-R392 VanDerWaalsContact C-N 3.29Å; I390-R392 PolarHBondContact O-N 3.3Å; I390-H393 PolarHBondContact O-N 2.83Å; I390-H393 VanDerWaalsContact O-N 3.13Å; I390-F394 HydrophobicContact CG2-CD2 3.56Å; I390-F394 HydrophobicContact CG2-CE2 3.69Å; I390-F394 WeakPolarHBondContact O-CD2 2.95Å; I390-F394 PolarHBondContact O-N 3.01Å; I390-A595 HydrophobicContact CD1-CB 3.94Å
391G51.4Low53.5Low30 Ų3075.7 Ų75.731%0.30938%0.375SS..Hα-helixtrans-58.7-38.1177.500000113.3I387 E388 L389 N395I387-G391 PolarHBondContact O-N 2.98Å; E388-G391 PolarHBondContact O-N 2.97Å; L389-G391 VanDerWaalsContact C-N 3.31Å; L389-G391 PolarHBondContact O-N 3.3Å; G391-N395 WeakPolarHBondContact O-CB 3.5Å; G391-N395 VanDerWaalsContact O-CG 3.25Å; G391-N395 PolarHBondContact O-N 3.02Å; G391-N395 PolarHBondContact O-ND2 3.41Å
392R56.9Low52.4Low160 Ų16078.9 Ų78.960%0.60439%0.391SS*.Hα-helixtrans-68.3-41.6173.4-69.4173.5-157.6172.411112.3E388 L389 I390 N395 K396E388-R392 WeakPolarHBondContact O-CG 3.45Å; E388-R392 PolarHBondContact O-N 3.41Å; E388-R392 IonicContact OE2-NH2 3.55Å; E388-R392 PolarHBondContact OE2-NH2 2.91Å; L389-R392 WeakPolarHBondContact O-CB 3.2Å; L389-R392 PolarHBondContact O-N 3.32Å; L389-R392 VanDerWaalsContact O-N 3.11Å; I390-R392 VanDerWaalsContact C-N 3.29Å; I390-R392 PolarHBondContact O-N 3.3Å; R392-N395 PolarHBondContact O-N 2.67Å; R392-K396 PolarHBondContact O-N 3.19Å
393H54.8Low51.1Low59 Ų5978 Ų7827%0.27340%0.398SS..Hα-helixtrans-64.8-43.3176.1-72-71.6000112.1L389 I390 N395 K396 F397 T433L389-H393 WeakPolarHBondContact CD1-NE2 3.48Å; L389-H393 PolarHBondContact O-CD2 3.32Å; L389-H393 PolarHBondContact O-N 2.87Å; I390-H393 PolarHBondContact O-N 2.83Å; I390-H393 VanDerWaalsContact O-N 3.13Å; H393-N395 VanDerWaalsContact C-N 3.34Å; H393-N395 PolarHBondContact O-N 3.19Å; H393-K396 PolarHBondContact O-N 3.22Å; H393-F397 VanDerWaalsContact O-CB 3.28Å; H393-F397 WeakPolarHBondContact O-CB 3.38Å; H393-F397 PolarHBondContact O-N 3.27Å; H393-T433 PolarHBondContact CE1-OG1 3.06Å
394F53.1Low50.2Low92 Ų9286 Ų8640%0.40443%0.431SS..Hα-helixtrans-62.4-38.5173.6-89.2-76.7000112.4I390 R398I390-F394 HydrophobicContact CG2-CD2 3.56Å; I390-F394 HydrophobicContact CG2-CE2 3.69Å; I390-F394 WeakPolarHBondContact O-CD2 2.95Å; I390-F394 PolarHBondContact O-N 3.01Å; F394-R398 WeakPolarHBondContact O-CB 3.42Å; F394-R398 PolarHBondContact O-N 3.17Å
395N52.5Low48.9Very low56 Ų5686.7 Ų86.730%0.29945%0.446SS..Hα-helixtrans-66.1-43.5174-74.4-18.8000112.2G391 R392 H393 F397 R398 E399G391-N395 WeakPolarHBondContact O-CB 3.5Å; G391-N395 VanDerWaalsContact O-CG 3.25Å; G391-N395 PolarHBondContact O-N 3.02Å; G391-N395 PolarHBondContact O-ND2 3.41Å; R392-N395 PolarHBondContact O-N 2.67Å; H393-N395 VanDerWaalsContact C-N 3.34Å; H393-N395 PolarHBondContact O-N 3.19Å; N395-F397 PolarHBondContact O-N 2.79Å; N395-R398 WeakPolarHBondContact O-CB 3.46Å; N395-R398 PolarHBondContact O-N 2.88Å; N395-E399 WeakPolarHBondContact O-CG 3.21Å; N395-E399 PolarHBondContact O-N 3.25Å
396K52.3Low47.7Very low91 Ų9189.9 Ų89.940%0.39646%0.456SS..Hα-helixtrans-64.8-40.3176.5-164.8-177.1-177.7-1730112R392 H393 R398 E399 L400 E436R392-K396 PolarHBondContact O-N 3.19Å; H393-K396 PolarHBondContact O-N 3.22Å; K396-R398 VanDerWaalsContact C-N 3.31Å; K396-R398 PolarHBondContact O-N 3.19Å; K396-E399 PolarHBondContact O-N 3.19Å; K396-L400 WeakPolarHBondContact O-CG 3.43Å; K396-L400 PolarHBondContact O-N 2.94Å; K396-L400 VanDerWaalsContact O-N 3.09Å; K396-E436 IonicContact NZ-OE2 2.65Å; K396-E436 PolarHBondContact NZ-OE2 3.13Å
397F45.2Very low46.7Very low112 Ų11298.1 Ų98.149%0.49149%0.491SS..Hα-helixtrans-62.9-38.3173.4-172.2-101000111.7H393 N395 L401H393-F397 VanDerWaalsContact O-CB 3.28Å; H393-F397 WeakPolarHBondContact O-CB 3.38Å; H393-F397 PolarHBondContact O-N 3.27Å; N395-F397 PolarHBondContact O-N 2.79Å; F397-L401 HydrophobicContact CD1-CD1 3.75Å; F397-L401 HydrophobicContact CE1-CD1 3.65Å; F397-L401 HydrophobicContact CE1-CG 4.39Å; F397-L401 WeakPolarHBondContact O-CG 3.3Å; F397-L401 PolarHBondContact O-N 3.16Å; F397-L401 VanDerWaalsContact O-N 3.08Å
398R44.9Very low45.9Very low58 Ų5899.1 Ų99.122%0.21950%0.501CS..Hα-helixtrans-67.2-41.1174.5-176.3-171.1-175.1103.241.3112.8F394 N395 K396 L400 L401 T402 A570 S574F394-R398 WeakPolarHBondContact O-CB 3.42Å; F394-R398 PolarHBondContact O-N 3.17Å; N395-R398 WeakPolarHBondContact O-CB 3.46Å; N395-R398 PolarHBondContact O-N 2.88Å; K396-R398 VanDerWaalsContact C-N 3.31Å; K396-R398 PolarHBondContact O-N 3.19Å; R398-L400 VanDerWaalsContact C-N 3.34Å; R398-L401 WeakPolarHBondContact O-CB 3.43Å; R398-L401 PolarHBondContact O-N 3.08Å; R398-T402 PolarHBondContact O-N 3.45Å; R398-T402 PolarHBondContact O-OG1 3.2Å; R398-A570 VanDerWaalsContact CZ-C 3.44Å; R398-A570 VanDerWaalsContact NH1-C 3.31Å; R398-A570 PolarHBondContact NH1-O 2.98Å; R398-A570 PolarHBondContact NH2-O 3.33Å; R398-S574 PolarHBondContact NH2-OG 3.2Å
399E47.1Very low44.7Very low130 Ų13097.6 Ų97.661%0.60750%0.502SS*.Hα-helixtrans-61-44.4175.6-75.2165.4-178.600110.8N395 K396 L401 T402 G403N395-E399 WeakPolarHBondContact O-CG 3.21Å; N395-E399 PolarHBondContact O-N 3.25Å; K396-E399 PolarHBondContact O-N 3.19Å; E399-L401 VanDerWaalsContact C-N 3.31Å; E399-L401 PolarHBondContact O-N 3.06Å; E399-T402 WeakPolarHBondContact CA-OG1 3.42Å; E399-T402 PolarHBondContact O-N 3.49Å; E399-T402 PolarHBondContact O-OG1 3.39Å; E399-G403 PolarHBondContact O-N 3.21Å
400L42.9Very low43.4Very low118 Ų118102.5 Ų102.562%0.61852%0.517SS*.Hα-helixtrans-61.1-34.6173.5-70.6165.2000113.1K396 R398 T402K396-L400 WeakPolarHBondContact O-CG 3.43Å; K396-L400 PolarHBondContact O-N 2.94Å; K396-L400 VanDerWaalsContact O-N 3.09Å; R398-L400 VanDerWaalsContact C-N 3.34Å; L400-T402 VanDerWaalsContact C-N 3.26Å; L400-T402 PolarHBondContact O-N 3.25Å
401L37Very low42.4Very low92 Ų92105.7 Ų105.748%0.48253%0.533SS..Hα-helixtrans-71.8-16.2173.9-75.2166.5000114F397 R398 E399 W410F397-L401 HydrophobicContact CD1-CD1 3.75Å; F397-L401 HydrophobicContact CE1-CD1 3.65Å; F397-L401 HydrophobicContact CE1-CG 4.39Å; F397-L401 WeakPolarHBondContact O-CG 3.3Å; F397-L401 PolarHBondContact O-N 3.16Å; F397-L401 VanDerWaalsContact O-N 3.08Å; R398-L401 WeakPolarHBondContact O-CB 3.43Å; R398-L401 PolarHBondContact O-N 3.08Å; E399-L401 VanDerWaalsContact C-N 3.31Å; E399-L401 PolarHBondContact O-N 3.06Å; L401-W410 VanDerWaalsContact CD2-NE1 3.28Å
402T44.3Very low41.7Very low111 Ų111111.4 Ų111.468%0.68155%0.549SS*.THydrogen-bonded Turntrans-102.5-2-179.151.80000114.5R398 E399 L400R398-T402 PolarHBondContact O-N 3.45Å; R398-T402 PolarHBondContact O-OG1 3.2Å; E399-T402 WeakPolarHBondContact CA-OG1 3.42Å; E399-T402 PolarHBondContact O-N 3.49Å; E399-T402 PolarHBondContact O-OG1 3.39Å; L400-T402 VanDerWaalsContact C-N 3.26Å; L400-T402 PolarHBondContact O-N 3.25Å
403G35.6Very low40.9Very low40 Ų40109.1 Ų109.141%0.41254%0.544SS..SBendtrans-98.5140.2174.400000112.4E399 T405E399-G403 PolarHBondContact O-N 3.21Å; G403-T405 PolarHBondContact O-N 2.89Å
404E36.3Very low40Very low211 Ų211109.8 Ų109.899%0.98656%0.555SS**SBendtrans-7214.5179.3-77.2-172.9125.500115.1
405T29.6Very low39.3Very low116 Ų116112.5 Ų112.571%0.71257%0.569SS**SBendtrans-121.4129.8-172.353.90000112.4G403G403-T405 PolarHBondContact O-N 2.89Å
406D35.6Very low38.7Very low125 Ų125115 Ų11567%0.66857%0.574SS**  trans71.978.4178.6-79-8.1000119.2T408 S409D406-T408 PolarHBondContact O-N 3.47Å; D406-S409 PolarHBondContact O-OG 3.03Å
407K36.9Very low37.9Very low199 Ų199121.1 Ų121.187%0.86560%0.601SS**THydrogen-bonded Turntrans-59.4-0.3162.1-68.9178.1176.31740115
408T36.3Very low37.7Very low92 Ų92119.8 Ų119.856%0.56461%0.606SS**THydrogen-bonded Turntrans-78.5-29.9-176.146.80000113.3D406 I411D406-T408 PolarHBondContact O-N 3.47Å; T408-I411 PolarHBondContact O-N 3.28Å
409S33.1Very low37.6Very low77 Ų77119.5 Ų119.554%0.53862%0.621SS.*THydrogen-bonded Turntrans-68-33.9-179.757.80000113.7D406 I411 F412D406-S409 PolarHBondContact O-OG 3.03Å; S409-I411 VanDerWaalsContact C-N 3.27Å; S409-I411 PolarHBondContact O-N 3.29Å; S409-F412 PolarHBondContact O-N 3.38Å
410W30Very low37.4Very low166 Ų166117.3 Ų117.363%0.62962%0.616SS**THydrogen-bonded Turntrans-65.7-26.5-179.9-112.980000113.8L401 F412 F413 S414L401-W410 VanDerWaalsContact CD2-NE1 3.28Å; W410-F412 PolarHBondContact O-N 2.94Å; W410-F413 PolarHBondContact O-N 2.97Å; W410-S414 WeakPolarHBondContact O-CB 3.35Å; W410-S414 PolarHBondContact O-N 2.94Å; W410-S414 PolarHBondContact O-OG 3.48Å
411I34.5Very low37.7Very low85 Ų85113.1 Ų113.144%0.43659%0.594SS.*Hα-helixtrans-67.1-27.1-175.3-61.9177.5000111.5T408 S409 Q415T408-I411 PolarHBondContact O-N 3.28Å; S409-I411 VanDerWaalsContact C-N 3.27Å; S409-I411 PolarHBondContact O-N 3.29Å; I411-Q415 HydrophobicContact CG2-CG 4.25Å; I411-Q415 WeakPolarHBondContact O-CG 3.4Å
412F37.5Very low38.4Very low149 Ų149111.6 Ų111.665%0.65459%0.589SS**Hα-helixtrans-73.7-30.2-177.4-147.3-91.5000113.7S409 W410S409-F412 PolarHBondContact O-N 3.38Å; W410-F412 PolarHBondContact O-N 2.94Å
413F38.6Very low38.6Very low112 Ų112108.4 Ų108.449%0.49157%0.567SS.*Hα-helixtrans-99.2-31.7177.4-82.7-84.8000113.2W410 Q415 I421W410-F413 PolarHBondContact O-N 2.97Å; F413-Q415 VanDerWaalsContact C-N 3.32Å; F413-Q415 PolarHBondContact O-N 2.96Å; F413-I421 HydrophobicContact CE1-CD1 4.47Å; F413-I421 HydrophobicContact CE1-CG1 4.43Å
414S37.2Very low39.4Very low73 Ų73109.1 Ų109.151%0.5157%0.569SS.*Hα-helixtrans-76.6-12.3-176.572.10000115.1W410W410-S414 WeakPolarHBondContact O-CB 3.35Å; W410-S414 PolarHBondContact O-N 2.94Å; W410-S414 PolarHBondContact O-OG 3.48Å
415Q37.5Very low40.1Very low149 Ų149100.1 Ų100.170%0.69653%0.528SS*.THydrogen-bonded Turntrans-96.4-4.1-178.9-68.3-167.5-11.600115I411 F413 K417I411-Q415 HydrophobicContact CG2-CG 4.25Å; I411-Q415 WeakPolarHBondContact O-CG 3.4Å; F413-Q415 VanDerWaalsContact C-N 3.32Å; F413-Q415 PolarHBondContact O-N 2.96Å; Q415-K417 PolarHBondContact O-N 3.4Å
416R39.8Very low41Very low108 Ų10896 Ų9641%0.40850%0.501SS..  trans-87106.6179.4-71.3-165.8-177.7-175.86.1112.3S418 D425R416-S418 PolarHBondContact O-N 2.92Å; R416-S418 VanDerWaalsContact O-N 3.12Å; R416-D425 IonicContact CZ-OD1 2.69Å; R416-D425 VanDerWaalsContact CZ-OD1 3.29Å; R416-D425 IonicContact CZ-OD2 3.94Å; R416-D425 IonicContact NH1-OD1 3.95Å; R416-D425 PolarHBondContact NH1-OD1 3.24Å; R416-D425 IonicContact NH1-OD2 3.29Å; R416-D425 PolarHBondContact NH1-OD2 2.96Å; R416-D425 IonicContact NH2-OD1 3.03Å; R416-D425 PolarHBondContact NH2-OD1 3.2Å; R416-D425 IonicContact NH2-OD2 2.8Å
417K35.6Very low41.7Very low220 Ų22093 Ų9396%0.95748%0.484SS*.THydrogen-bonded Turntrans-62.3-10.8173.1-75.1-174174.1-177.70115.3Q415Q415-K417 PolarHBondContact O-N 3.4Å
418S41.1Very low42.4Very low84 Ų8487.9 Ų87.959%0.58747%0.467SS*.THydrogen-bonded Turntrans-96-13.1-16955.90000116R416 V420R416-S418 PolarHBondContact O-N 2.92Å; R416-S418 VanDerWaalsContact O-N 3.12Å; S418-V420 PolarHBondContact O-N 3.16Å
419G42.4Very low43Very low53 Ų5386.4 Ų86.455%0.54646%0.46SS..  trans67-20.5178.500000117.2
420V44.3Very low43.8Very low83 Ų8384.6 Ų84.650%0.50344%0.442SS..PPolyproline II helixtrans-84.5128-176.2178.30000111.8S418S418-V420 PolarHBondContact O-N 3.16Å
421I49.1Very low44.7Very low30 Ų3081.2 Ų81.215%0.15443%0.433CS..PPolyproline II helixtrans-89.5130.2168.7-64.2169.6000108.1F413 D425 L426 L587 V591 L594F413-I421 HydrophobicContact CE1-CD1 4.47Å; F413-I421 HydrophobicContact CE1-CG1 4.43Å; I421-D425 HydrophobicContact CG2-CB 4.36Å; I421-L426 HydrophobicContact CG2-CD1 4.31Å; I421-L426 HydrophobicContact CG2-CG 4.16Å; I421-L587 HydrophobicContact CD1-CD2 4.21Å; I421-L587 HydrophobicContact CD1-CG 4.35Å; I421-V591 HydrophobicContact CD1-CG2 3.54Å; I421-L594 WeakPolarHBondContact O-CD1 3.38Å
422T50.2Low45.2Very low61 Ų6182.3 Ų82.337%0.37444%0.439SS..PPolyproline II helixtrans-99.1164.7179.373.70000112.3A424 D425 L426T422-A424 PolarHBondContact O-N 3.32Å; T422-A424 PolarHBondContact OG1-N 2.99Å; T422-D425 WeakPolarHBondContact CB-OD2 3.27Å; T422-D425 PolarHBondContact N-OD2 3.22Å; T422-D425 PolarHBondContact O-N 3Å; T422-D425 VanDerWaalsContact OG1-CG 3.23Å; T422-D425 PolarHBondContact OG1-N 3.24Å; T422-D425 PolarHBondContact OG1-OD2 3.19Å; T422-L426 PolarHBondContact O-N 2.76Å
423M48.9Very low45.2Very low44 Ų4476.7 Ų76.722%0.21742%0.417CS..Hα-helixtrans-59.1-35.7174.1-159.572.283.300112.4D425 L426 L427 L594 K597 L598M423-D425 VanDerWaalsContact C-N 3.34Å; M423-L426 PolarHBondContact O-N 3.05Å; M423-L427 HydrophobicContact CG-CD1 4.41Å; M423-L427 WeakPolarHBondContact O-CG 3.44Å; M423-L427 PolarHBondContact O-N 3.27Å; M423-L594 HydrophobicContact CB-CD2 4.31Å; M423-L594 HydrophobicContact CE-CB 4.41Å; M423-L594 HydrophobicContact CE-CD2 3.65Å; M423-L594 HydrophobicContact SD-CB 3.97Å; M423-L594 HydrophobicContact SD-CD2 3.9Å; M423-K597 HydrophobicContact CE-CB 3.56Å; M423-K597 HydrophobicContact CE-CD 3.97Å; M423-K597 HydrophobicContact CE-CG 4.41Å; M423-L598 HydrophobicContact CG-CD1 3.65Å; M423-L598 HydrophobicContact SD-CB 4.34Å; M423-L598 HydrophobicContact SD-CD1 3.49Å; M423-L598 WeakPolarHBondContact SD-CD1 3.5Å
424A52.4Low45.3Very low55 Ų5577.4 Ų77.446%0.45542%0.422SS..Hα-helixtrans-68-32.717900000112.4T422 L427 N428T422-A424 PolarHBondContact O-N 3.32Å; T422-A424 PolarHBondContact OG1-N 2.99Å; A424-L427 PolarHBondContact O-N 3.21Å; A424-N428 PolarHBondContact O-N 3.32Å; A424-N428 PolarHBondContact O-ND2 3.49Å
425D50.7Low45.3Very low22 Ų2281.3 Ų81.312%0.11843%0.426CS..Hα-helixtrans-66.6-43.7175.2-59.1-55.3000110.9R416 I421 T422 M423 N428 C429R416-D425 IonicContact CZ-OD1 2.69Å; R416-D425 VanDerWaalsContact CZ-OD1 3.29Å; R416-D425 IonicContact CZ-OD2 3.94Å; R416-D425 IonicContact NH1-OD1 3.95Å; R416-D425 PolarHBondContact NH1-OD1 3.24Å; R416-D425 IonicContact NH1-OD2 3.29Å; R416-D425 PolarHBondContact NH1-OD2 2.96Å; R416-D425 IonicContact NH2-OD1 3.03Å; R416-D425 PolarHBondContact NH2-OD1 3.2Å; R416-D425 IonicContact NH2-OD2 2.8Å; I421-D425 HydrophobicContact CG2-CB 4.36Å; T422-D425 WeakPolarHBondContact CB-OD2 3.27Å; T422-D425 PolarHBondContact N-OD2 3.22Å; T422-D425 PolarHBondContact O-N 3Å; T422-D425 VanDerWaalsContact OG1-CG 3.23Å; T422-D425 PolarHBondContact OG1-N 3.24Å; T422-D425 PolarHBondContact OG1-OD2 3.19Å; M423-D425 VanDerWaalsContact C-N 3.34Å; D425-N428 PolarHBondContact O-N 3.42Å; D425-C429 PolarHBondContact O-N 2.95Å; D425-C429 VanDerWaalsContact O-N 3.09Å; D425-C429 PolarHBondContact O-SG 3.06Å
426L49.8Very low45.1Very low28 Ų2878.9 Ų78.915%0.14741%0.414CS..Hα-helixtrans-64.9-40.2175.2-77.3162.9000112.2I421 T422 M423 C429 F430 V591 L594I421-L426 HydrophobicContact CG2-CD1 4.31Å; I421-L426 HydrophobicContact CG2-CG 4.16Å; T422-L426 PolarHBondContact O-N 2.76Å; M423-L426 PolarHBondContact O-N 3.05Å; L426-C429 PolarHBondContact O-N 3.46Å; L426-F430 WeakPolarHBondContact O-CD2 3.46Å; L426-F430 PolarHBondContact O-N 2.92Å; L426-V591 HydrophobicContact CD2-CG1 4.46Å; L426-L594 HydrophobicContact CD1-CB 3.43Å; L426-L594 VanDerWaalsContact CD1-CB 3.43Å; L426-L594 HydrophobicContact CD1-CD1 4.05Å; L426-L594 HydrophobicContact CD1-CG 4.37Å
427L50.3Low44.8Very low62 Ų6278 Ų7833%0.32542%0.421SS..Hα-helixtrans-60.9-47.4174-81162.8000112.2M423 A424 C429 F430 E431 L598 V602M423-L427 HydrophobicContact CG-CD1 4.41Å; M423-L427 WeakPolarHBondContact O-CG 3.44Å; M423-L427 PolarHBondContact O-N 3.27Å; A424-L427 PolarHBondContact O-N 3.21Å; L427-C429 VanDerWaalsContact C-N 3.34Å; L427-C429 PolarHBondContact O-N 3.23Å; L427-F430 CarbonylContact O-C 3.57Å; L427-F430 WeakPolarHBondContact O-CA 3.4Å; L427-F430 WeakPolarHBondContact O-CB 3.27Å; L427-F430 PolarHBondContact O-N 2.96Å; L427-E431 PolarHBondContact O-N 2.69Å; L427-L598 HydrophobicContact CD1-CD1 4.13Å; L427-L598 HydrophobicContact CD2-CD1 3.79Å; L427-L598 HydrophobicContact CD2-CD2 4.25Å; L427-L598 HydrophobicContact CD2-CG 4.33Å; L427-L598 HydrophobicContact CG-CD1 3.66Å; L427-L598 HydrophobicContact CG-CD2 4.45Å; L427-V602 HydrophobicContact CD2-CG2 3.98Å
428N51.8Low44.7Very low92 Ų9271 Ų7149%0.49240%0.397SS..Hα-helixtrans-60-41.9176.7-87-41.9000112.2A424 D425 F430 E431 L432A424-N428 PolarHBondContact O-N 3.32Å; A424-N428 PolarHBondContact O-ND2 3.49Å; D425-N428 PolarHBondContact O-N 3.42Å; N428-F430 VanDerWaalsContact C-N 3.29Å; N428-F430 PolarHBondContact O-N 3.14Å; N428-E431 PolarHBondContact O-N 3.48Å; N428-L432 WeakPolarHBondContact O-CB 3.27Å; N428-L432 WeakPolarHBondContact O-CD1 3.23Å; N428-L432 VanDerWaalsContact O-CG 3.24Å; N428-L432 WeakPolarHBondContact O-CG 3.45Å; N428-L432 PolarHBondContact O-N 2.91Å
429C49Very low44.4Very low62 Ų6269.9 Ų69.942%0.41939%0.386SS..Hα-helixtrans-62.7-34.8173.4-70.50000112.8D425 L426 L427 T433D425-C429 PolarHBondContact O-N 2.95Å; D425-C429 VanDerWaalsContact O-N 3.09Å; D425-C429 PolarHBondContact O-SG 3.06Å; L426-C429 PolarHBondContact O-N 3.46Å; L427-C429 VanDerWaalsContact C-N 3.34Å; L427-C429 PolarHBondContact O-N 3.23Å; C429-T433 WeakPolarHBondContact O-CG2 3.35Å; C429-T433 PolarHBondContact O-N 2.98Å; C429-T433 PolarHBondContact O-OG1 3.01Å
430F48.4Very low43.9Very low39 Ų3972 Ų7217%0.17139%0.389CS..Hα-helixtrans-70-43.6174.4-102.3-91.1000112.7F386 L389 L426 L427 N428 T433 Q434 L598F386-F430 AromaticContact CE2-CZ 3.87Å; F386-F430 HydrophobicContact CE2-CZ 3.87Å; L389-F430 HydrophobicContact CD2-CE1 3.74Å; L389-F430 HydrophobicContact CD2-CZ 4.01Å; L426-F430 WeakPolarHBondContact O-CD2 3.46Å; L426-F430 PolarHBondContact O-N 2.92Å; L427-F430 CarbonylContact O-C 3.57Å; L427-F430 WeakPolarHBondContact O-CA 3.4Å; L427-F430 WeakPolarHBondContact O-CB 3.27Å; L427-F430 PolarHBondContact O-N 2.96Å; N428-F430 VanDerWaalsContact C-N 3.29Å; N428-F430 PolarHBondContact O-N 3.14Å; F430-T433 PolarHBondContact O-N 2.98Å; F430-T433 PolarHBondContact O-OG1 3.11Å; F430-T433 VanDerWaalsContact O-OG1 3.13Å; F430-Q434 PolarHBondContact O-N 2.9Å; F430-L598 HydrophobicContact CD2-CD2 3.96Å; F430-L598 HydrophobicContact CE2-CD2 4.2Å; F430-L598 HydrophobicContact CG-CD2 4.47Å
431E49.4Very low43.3Very low95 Ų9575.4 Ų75.444%0.44440%0.397SS..Hα-helixtrans-66.1-43.7178.2-73.5-168-172.900112.5L427 N428 T433 Q434 R435L427-E431 PolarHBondContact O-N 2.69Å; N428-E431 PolarHBondContact O-N 3.48Å; E431-T433 VanDerWaalsContact C-N 3.28Å; E431-T433 PolarHBondContact O-N 3.46Å; E431-Q434 PolarHBondContact O-N 2.54Å; E431-R435 WeakPolarHBondContact O-CG 3.23Å; E431-R435 PolarHBondContact O-N 2.86Å; E431-R435 VanDerWaalsContact O-N 3.09Å; E431-R435 IonicContact OE2-NH2 3.82Å
432L44.6Very low42.4Very low107 Ų10779.9 Ų79.956%0.5642%0.417SS*.Hα-helixtrans-59-40.9176-72.3168000111.4N428 R435 E436N428-L432 WeakPolarHBondContact O-CB 3.27Å; N428-L432 WeakPolarHBondContact O-CD1 3.23Å; N428-L432 VanDerWaalsContact O-CG 3.24Å; N428-L432 WeakPolarHBondContact O-CG 3.45Å; N428-L432 PolarHBondContact O-N 2.91Å; L432-R435 PolarHBondContact O-N 3.18Å; L432-E436 PolarHBondContact O-N 3.33Å
433T37.9Very low41.5Very low31 Ų3185.3 Ų85.319%0.1944%0.436CS..Hα-helixtrans-78.7-26.9179.851.60000114H393 C429 F430 E431 V437H393-T433 PolarHBondContact CE1-OG1 3.06Å; C429-T433 WeakPolarHBondContact O-CG2 3.35Å; C429-T433 PolarHBondContact O-N 2.98Å; C429-T433 PolarHBondContact O-OG1 3.01Å; F430-T433 PolarHBondContact O-N 2.98Å; F430-T433 PolarHBondContact O-OG1 3.11Å; F430-T433 VanDerWaalsContact O-OG1 3.13Å; E431-T433 VanDerWaalsContact C-N 3.28Å; E431-T433 PolarHBondContact O-N 3.46Å; T433-V437 WeakPolarHBondContact O-CG2 3.41Å; T433-V437 PolarHBondContact O-N 2.73Å
434Q40.1Very low40.6Very low127 Ų12788.2 Ų88.259%0.59346%0.46SS*.Hα-helixtrans-64.6-41.9167.6-76.5-163.85.600111.7F430 E431 E436 V437 T438F430-Q434 PolarHBondContact O-N 2.9Å; E431-Q434 PolarHBondContact O-N 2.54Å; Q434-E436 VanDerWaalsContact C-N 3.34Å; Q434-E436 PolarHBondContact O-N 2.84Å; Q434-V437 PolarHBondContact O-N 2.76Å; Q434-V437 VanDerWaalsContact O-N 3.13Å; Q434-T438 PolarHBondContact O-N 3.09Å; Q434-T438 VanDerWaalsContact O-N 3.12Å; Q434-T438 PolarHBondContact O-OG1 3.22Å
435R37.5Very low39.4Very low156 Ų15689.1 Ų89.159%0.58946%0.463SS*.Hα-helixtrans-62.9-36.1176.6-71.2178-179.5149.99.3112.8E431 L432 V437 T438 V439E431-R435 WeakPolarHBondContact O-CG 3.23Å; E431-R435 PolarHBondContact O-N 2.86Å; E431-R435 VanDerWaalsContact O-N 3.09Å; E431-R435 IonicContact OE2-NH2 3.82Å; L432-R435 PolarHBondContact O-N 3.18Å; R435-V437 VanDerWaalsContact C-N 3.33Å; R435-V437 PolarHBondContact O-N 2.68Å; R435-T438 PolarHBondContact O-OG1 3.23Å; R435-V439 WeakPolarHBondContact O-CB 3.36Å; R435-V439 VanDerWaalsContact O-CG2 3.25Å; R435-V439 WeakPolarHBondContact O-CG2 3.49Å; R435-V439 PolarHBondContact O-N 3.31Å; R435-V439 VanDerWaalsContact O-N 3.13Å
436E35Very low38.3Very low97 Ų9796 Ų9645%0.45350%0.5SS..Hα-helixtrans-66.4-32.6173.2-71.8-175.1162.500113.4K396 L432 Q434 T440K396-E436 IonicContact NZ-OE2 2.65Å; K396-E436 PolarHBondContact NZ-OE2 3.13Å; L432-E436 PolarHBondContact O-N 3.33Å; Q434-E436 VanDerWaalsContact C-N 3.34Å; Q434-E436 PolarHBondContact O-N 2.84Å; E436-T440 WeakPolarHBondContact O-CG2 3.01Å; E436-T440 PolarHBondContact O-N 3.12Å; E436-T440 VanDerWaalsContact O-N 3.16Å; E436-T440 PolarHBondContact O-OG1 3.26Å
437V32.9Very low37.2Very low90 Ų90103.9 Ų103.955%0.54554%0.536SS..Hα-helixtrans-80.2-24.3-178.4172.90000112.6T433 Q434 R435 T440T433-V437 WeakPolarHBondContact O-CG2 3.41Å; T433-V437 PolarHBondContact O-N 2.73Å; Q434-V437 PolarHBondContact O-N 2.76Å; Q434-V437 VanDerWaalsContact O-N 3.13Å; R435-V437 VanDerWaalsContact C-N 3.33Å; R435-V437 PolarHBondContact O-N 2.68Å; V437-T440 WeakPolarHBondContact CA-OG1 3.35Å; V437-T440 PolarHBondContact O-OG1 2.9Å
438T32.9Very low36.1Very low74 Ų74106.9 Ų106.945%0.45456%0.556SS.*Hα-helixtrans-76.8-46.8168510000111.4Q434 R435 T440 K441 E442Q434-T438 PolarHBondContact O-N 3.09Å; Q434-T438 VanDerWaalsContact O-N 3.12Å; Q434-T438 PolarHBondContact O-OG1 3.22Å; R435-T438 PolarHBondContact O-OG1 3.23Å; T438-T440 PolarHBondContact O-N 3Å; T438-K441 PolarHBondContact O-N 2.96Å; T438-E442 PolarHBondContact O-N 3.33Å; T438-E442 VanDerWaalsContact O-N 3.09Å
439V34.6Very low35Very low60 Ų60109.9 Ų109.936%0.36457%0.573SS.*Hα-helixtrans-61.6-29.8-179.8170.20000112.8R435 K441 K443R435-V439 WeakPolarHBondContact O-CB 3.36Å; R435-V439 VanDerWaalsContact O-CG2 3.25Å; R435-V439 WeakPolarHBondContact O-CG2 3.49Å; R435-V439 PolarHBondContact O-N 3.31Å; R435-V439 VanDerWaalsContact O-N 3.13Å; V439-K441 VanDerWaalsContact C-N 3.34Å; V439-K443 HydrophobicContact CG1-CD 4.11Å; V439-K443 HydrophobicContact CG1-CG 4.47Å; V439-K443 WeakPolarHBondContact O-CB 3.45Å; V439-K443 WeakPolarHBondContact O-CG 3.28Å; V439-K443 PolarHBondContact O-N 3.39Å; V439-K443 VanDerWaalsContact O-N 3.14Å
440T32.6Very low34Very low98 Ų98110.6 Ų110.660%0.60159%0.59SS**Hα-helixtrans-76.7-15.917541.40000114.4E436 V437 T438E436-T440 WeakPolarHBondContact O-CG2 3.01Å; E436-T440 PolarHBondContact O-N 3.12Å; E436-T440 VanDerWaalsContact O-N 3.16Å; E436-T440 PolarHBondContact O-OG1 3.26Å; V437-T440 WeakPolarHBondContact CA-OG1 3.35Å; V437-T440 PolarHBondContact O-OG1 2.9Å; T438-T440 PolarHBondContact O-N 3Å
441K30.3Very low33Very low153 Ų153117.2 Ų117.267%0.66562%0.622SS**Hα-helixtrans-85.2-44167.9-73.4179.9175.7177.10111.5T438 V439 K443 S444T438-K441 PolarHBondContact O-N 2.96Å; V439-K441 VanDerWaalsContact C-N 3.34Å; K441-K443 VanDerWaalsContact C-N 3.3Å; K441-K443 PolarHBondContact O-N 2.97Å; K441-S444 PolarHBondContact O-N 2.99Å; K441-S444 VanDerWaalsContact O-N 3.08Å; K441-S444 PolarHBondContact O-OG 2.72Å
442E31.4Very low32Very low125 Ų125118.4 Ų118.458%0.58464%0.636SS**Hα-helixtrans-63.4-34.4-178.9-69.6167.9167.100112.3T438 S444 S445T438-E442 PolarHBondContact O-N 3.33Å; T438-E442 VanDerWaalsContact O-N 3.09Å; E442-S444 PolarHBondContact O-N 2.92Å; E442-S444 VanDerWaalsContact O-N 3.09Å; E442-S445 CarbonylContact O-C 3.49Å; E442-S445 PolarHBondContact O-N 2.84Å; E442-S445 VanDerWaalsContact O-N 3.09Å
443K30.6Very low31.2Very low175 Ų175119.9 Ų119.976%0.76164%0.644SS**THydrogen-bonded Turntrans-67.1-4.3174.3-75.6179.9177.8-177.40115.6V439 K441V439-K443 HydrophobicContact CG1-CD 4.11Å; V439-K443 HydrophobicContact CG1-CG 4.47Å; V439-K443 WeakPolarHBondContact O-CB 3.45Å; V439-K443 WeakPolarHBondContact O-CG 3.28Å; V439-K443 PolarHBondContact O-N 3.39Å; V439-K443 VanDerWaalsContact O-N 3.14Å; K441-K443 VanDerWaalsContact C-N 3.3Å; K441-K443 PolarHBondContact O-N 2.97Å
444S29.8Very low30.8Very low104 Ų104123.3 Ų123.373%0.72767%0.669SS**THydrogen-bonded Turntrans-96.6-2.7172.568.50000113.8K441 E442K441-S444 PolarHBondContact O-N 2.99Å; K441-S444 VanDerWaalsContact O-N 3.08Å; K441-S444 PolarHBondContact O-OG 2.72Å; E442-S444 PolarHBondContact O-N 2.92Å; E442-S444 VanDerWaalsContact O-N 3.09Å
445S28.1Very low30.3Very low75 Ų75125.5 Ų125.552%0.52468%0.677SS.*SBendtrans-145.380.5-177.757.90000110.3E442E442-S445 CarbonylContact O-C 3.49Å; E442-S445 PolarHBondContact O-N 2.84Å; E442-S445 VanDerWaalsContact O-N 3.09Å
446N26.6Very low29.8Very low167 Ų167124.4 Ų124.489%0.89368%0.683SS**  trans174.397.1151.3-87.3-15.4000110.1
447Q27Very low29.5Very low192 Ų192124 Ų12490%0.89769%0.69SS**  trans-101.5153.6146.2-92.2-176.9-39.700107.3
448V28.7Very low29.3Very low125 Ų125125.7 Ų125.776%0.75870%0.701SS**  trans107.688.5-177-177.60000113.4
449D27Very low29Very low156 Ų156126.3 Ų126.383%0.83471%0.709SS**  54.1133.7129.4-44.1-23.8000122.3
450G27.8Very low28.8Very low76 Ų76129.8 Ų129.878%0.78473%0.725SS**  trans142.367.8156.600000119.8
451E27.5Very low28.6Very low178 Ų178131.8 Ų131.883%0.83273%0.728SS**  trans15.5133.8148.6-66.9-178.1139.400124.5
452T28.7Very low28.5Very low120 Ų120132.2 Ų132.274%0.73673%0.729SS**  trans67.1148.7137.260.40000121.4
453D28.5Very low28.4Very low139 Ų139134.7 Ų134.774%0.74374%0.739SS**  cis-165.5148.9-18.6-124.2-31.5000111.4
454S29.5Very low28.2Very low103 Ų103134 Ų13472%0.7274%0.738SS**  trans62.7157152.281.30000120.4
455K29.5Very low28.1Very low172 Ų172133 Ų13375%0.74874%0.736SS**  cis-169.2157.3-13.3-116.8176.1173.6-172.50111.2
456D27Very low28.1Very low134 Ų134133.4 Ų133.472%0.71774%0.744SS**  trans59.7152.3146.2-58.8-20.4000120.8
457S27.9Very low28.2Very low87 Ų87132.9 Ų132.961%0.60874%0.736SS**  cis-173.4158.2-17.356.20000111.8
458T28.5Very low28.3Very low127 Ų127130.3 Ų130.378%0.77973%0.729SS**  trans58.9153145.649.50000121.5
459S27.6Very low28.3Very low87 Ų87132.1 Ų132.161%0.60873%0.729SS**  cis-172.7175.7-14.650.80000111.3
460D29.5Very low28.4Very low133 Ų133130.9 Ų130.971%0.71172%0.722SS**  trans90.9117.1142.3-65.7-36000125.9
461E29.9Very low28.4Very low139 Ų139134.2 Ų134.265%0.6572%0.722SS**  98.896.2122.4-75.6-159.3155.800125.5
462K28.4Very low28.5Very low162 Ų162129.4 Ų129.470%0.70472%0.72SS**  79.4138.6104-89.9179.4-160.8156.10124.2
463K28.5Very low28.4Very low178 Ų178133.8 Ų133.877%0.77472%0.723SS**  trans91.1150.9148.3-70.1174.6177.5179.60121.3
464Q27Very low28.2Very low159 Ų159133.9 Ų133.974%0.74372%0.723SS**  cis-177.3139-27.7-167.9152.513.700112.3
465A27.7Very low28.2Very low83 Ų83137.6 Ų137.669%0.68673%0.729SS**  trans50.8171.9158.200000118.4
466A28.1Very low27.9Very low84 Ų84136.2 Ų136.269%0.69473%0.725SS**  cis-166.3172.910.300000107.5
467E28.2Very low27.9Very low157 Ų157136.8 Ų136.873%0.73473%0.733SS**  cis-171.5172.6-27.7-111.2135.6-131.600109.4
468D28.4Very low27.6Very low138 Ų138140 Ų14074%0.73874%0.737SS**  trans78.9122.9151.2-65.1-9.3000128.3
469E29.8Very low27.6Very low162 Ų162139.3 Ų139.376%0.75774%0.737SS**  70.3150.6124.3-71.1-149137.100124.4
470N29.2Very low27.4Very low130 Ų130142.1 Ų142.170%0.69575%0.745SS**  cis-164.4165.7-22.6-144-25.5000111.8
471D26.7Very low27.2Very low147 Ų147145.8 Ų145.879%0.78676%0.755SS**  trans65148.9152.3-140.9-6.3000123.6
472G31.1Very low26.9Very low77 Ų77146.4 Ų146.479%0.79476%0.762SS**  trans160.6108.7178.200000114.2
473R25.1Very low26.8Very low212 Ų212144.2 Ų144.280%0.876%0.764SS**  trans-119.6170.6-153.1-153.3-170.8165.8173.6-4.7114.7
474L25.9Very low26.6Very low140 Ų140141.9 Ų141.973%0.73377%0.769SS**  trans79.4146.2157.8-68.6158.8000117.6
475E27.8Very low26.4Very low181 Ų181141.5 Ų141.585%0.84677%0.772SS**  cis-133.1161.410.8-73.4-167135.400114.9
476E23.7Very low26.2Very low144 Ų144143.9 Ų143.967%0.67377%0.773SS**  trans-86.9147.4169.1-58.2176.3127.700112.2K478E476-K478 IonicContact OE1-NZ 3.19Å; E476-K478 PolarHBondContact OE1-NZ 2.76Å; E476-K478 IonicContact OE2-NZ 2.68Å; E476-K478 PolarHBondContact OE2-NZ 3.06Å
477T26.9Very low26.1Very low145 Ų145149.9 Ų149.989%0.8978%0.784SS**  trans-123.2102.8150.143.30000110.7
478K22.6Very low25.9Very low155 Ų155146.9 Ų146.967%0.67477%0.772SS**  trans-77.2123.5171.9-67.5-178.5168.6920109.6E476E476-K478 IonicContact OE1-NZ 3.19Å; E476-K478 PolarHBondContact OE1-NZ 2.76Å; E476-K478 IonicContact OE2-NZ 2.68Å; E476-K478 PolarHBondContact OE2-NZ 3.06Å
479S27Very low25.6Very low113 Ų113148 Ų14879%0.7978%0.777SS**  trans-136.6109.8155.1600000109.9
480N23.3Very low25.4Very low145 Ų145148 Ų14878%0.77578%0.782SS**  trans-72.4128.8174.4-63.3-39.9000109.1
481F25.2Very low25.2Very low210 Ų210149.7 Ų149.792%0.92179%0.785SS**  trans-137.8135.3148.7-97.3-77000110.8
482L24.1Very low25.1Very low153 Ų153147.9 Ų147.980%0.80178%0.784SS**  trans-73.5162.6-170.2-107.575.7000112.9
483P26.9Very low24.8Very low115 Ų115149.8 Ų149.875%0.74778%0.776SS**  trans-77.3140.5-176.633.1-34.1000111.4
484C23.4Very low24.9Very low129 Ų129145.1 Ų145.187%0.87277%0.773SS**  trans-116.1105.7166-74.10000110
485N24.3Very low25.1Very low152 Ų152140.3 Ų140.381%0.81375%0.751SS**  trans-54.3135.9156.3-67.6-45.9000109.5
486L23.9Very low25.3Very low132 Ų132136 Ų13669%0.69173%0.732SS**  trans175.5119.8152.3-120.655.5000107.8L488L486-L488 HydrophobicContact CD1-CB 3.8Å; L486-L488 HydrophobicContact CD1-CD1 4.18Å; L486-L488 HydrophobicContact CD2-CB 4.27Å; L486-L488 HydrophobicContact CG-CB 3.66Å
487F25.6Very low25.5Very low211 Ų211136.9 Ų136.993%0.92574%0.736SS**  cis50.644.9-1.2-124.3-73.5000116.4
488L22.5Very low25.5Very low93 Ų93131.7 Ų131.749%0.48771%0.705SS.*  trans178.777.2157.5-94.4148.9000108.9L486 Q491L486-L488 HydrophobicContact CD1-CB 3.8Å; L486-L488 HydrophobicContact CD1-CD1 4.18Å; L486-L488 HydrophobicContact CD2-CB 4.27Å; L486-L488 HydrophobicContact CG-CB 3.66Å; L488-Q491 HydrophobicContact CD2-CG 3.93Å; L488-Q491 VanDerWaalsContact CD2-OE1 3.27Å
489L22.9Very low25.8Very low163 Ų163129.1 Ų129.185%0.85369%0.694SS**SBendtrans-150.112.7152.8-114.7172.6000113.2
490L26.6Very low26Very low162 Ų162129.8 Ų129.885%0.84869%0.687SS**  trans-110.750.5167.7-69.8171.6000109.7
491Q23Very low26.2Very low164 Ų164126.5 Ų126.577%0.76668%0.68SS**  trans-104.962166.8-80.8-166.7-25.600109.9L488L488-Q491 HydrophobicContact CD2-CG 3.93Å; L488-Q491 VanDerWaalsContact CD2-OE1 3.27Å
492S25.1Very low26.4Very low109 Ų109120.3 Ų120.376%0.76267%0.668SS**SBendtrans-158.1-2.116742.30000116.5
493D25.7Very low26.7Very low117 Ų117118.6 Ų118.663%0.62666%0.664SS**  trans-167.4123.3152.3-122.3-27.4000113.9S495D493-S495 PolarHBondContact O-N 3.36Å
494P27.5Very low26.7Very low114 Ų114115.8 Ų115.874%0.7464%0.643SS**  trans-91.968.8177.136.4-33.5000111.7
495S29.3Very low26.8Very low39 Ų39117.7 Ų117.727%0.27364%0.636SS.*  trans-139.718.9-173680000116.1D493 E1106D493-S495 PolarHBondContact O-N 3.36Å; S495-E1106 WeakPolarHBondContact CA-OE2 3.36Å
496M32Very low26.8Very low91 Ų91118.9 Ų118.945%0.44864%0.637SS.*  trans-129.7-0.4-165.9-71.2-73.5-126.200116.6E1106 R1107 V1162M496-E1106 PolarHBondContact N-OE2 2.8Å; M496-R1107 PolarHBondContact SD-NH2 3.15Å; M496-V1162 HydrophobicContact CE-CG2 3.73Å
497E28.2Very low26.9Very low163 Ų163119.6 Ų119.676%0.76264%0.641SS**  trans-82.6-18.6-166.4-74.5-163.6144.300119.5F499 E1106E497-F499 PolarHBondContact O-N 3.48Å; E497-E1106 PolarHBondContact N-OE2 3Å
498P26.4Very low26.9Very low36 Ų36118.7 Ų118.723%0.23464%0.637CS.*THydrogen-bonded Turntrans-9217.2-163.335.4-37.5000117.4N1105 E1106P498-N1105 WeakPolarHBondContact CB-ND2 3.45Å; P498-N1105 WeakPolarHBondContact CG-ND2 3.4Å; P498-E1106 WeakPolarHBondContact CD-OE2 3.48Å
499F28.9Very low27.2Very low100 Ų100120.1 Ų120.144%0.43965%0.652SS.*THydrogen-bonded Turntrans-87-18.9177.7-127.7-83.7000114.5E497 V659 L1064 W1168E497-F499 PolarHBondContact O-N 3.48Å; F499-V659 HydrophobicContact CE1-CG1 4.22Å; F499-V659 HydrophobicContact CE1-CG2 4.31Å; F499-L1064 HydrophobicContact CE2-CD1 4.35Å; F499-L1064 HydrophobicContact CZ-CD1 4.25Å; F499-W1168 HydrophobicContact CB-CZ2 4.44Å; F499-W1168 AromaticContact CD1-CH2 3.95Å; F499-W1168 HydrophobicContact CD1-CH2 3.95Å; F499-W1168 AromaticContact CD1-CZ2 3.63Å; F499-W1168 HydrophobicContact CD1-CZ2 3.63Å; F499-W1168 HydrophobicContact CE1-CZ2 4.27Å; F499-W1168 HydrophobicContact CG-CZ2 4.3Å
500I30.2Very low27.3Very low127 Ų127119 Ų11965%0.65164%0.64SS**SBendtrans-92-20.2-179.1-64.4174.1000111.7
501A29.2Very low27.4Very low76 Ų76120.5 Ų120.563%0.62864%0.64SS**SBendtrans-93.8-7.1-173.800000115.6
502A29.2Very low27.5Very low81 Ų81120.5 Ų120.567%0.66965%0.645SS**SBendtrans-100.2-5.2-172.500000115D504A502-D504 VanDerWaalsContact C-N 3.32Å
503V30.3Very low27.6Very low116 Ų116125.3 Ų125.370%0.70365%0.652SS**SBendtrans-85.5-11.9174-179.90000111.3
504D25.8Very low27.6Very low57 Ų57131 Ų13131%0.30567%0.665SS.*SBendtrans-101.3107.2-172.4-153.225.3000110.9P269 K271 A502P269-D504 WeakPolarHBondContact CG-OD1 3.39Å; K271-D504 WeakPolarHBondContact CE-OD2 3.37Å; K271-D504 IonicContact NZ-OD2 2.76Å; A502-D504 VanDerWaalsContact C-N 3.32Å
505K25.5Very low27.5Very low169 Ų169135.9 Ų135.974%0.73568%0.675SS**SBendtrans85.181.4-177.4-49.4171.4-179.1-177.50117.4
506E25.5Very low27.4Very low177 Ų177137.3 Ų137.383%0.82770%0.695SS**SBend-161.3122.2125.7-112.4169.2-143.100112.7
507N25.9Very low27.2Very low146 Ų146140.2 Ų140.278%0.78171%0.713SS**  trans50.879159.7-60.5-33.5000120P509N507-P509 VanDerWaalsContact O-CD 3.28Å; N507-P509 WeakPolarHBondContact O-CD 3.36Å
508F25.7Very low27.3Very low192 Ų192140.6 Ų140.684%0.84271%0.714SS**  trans-88108.2150.1-89.5-90.5000110.8F510F508-F510 PolarHBondContact O-N 2.82Å
509P27.4Very low27.2Very low123 Ų123147.2 Ų147.280%0.79974%0.742SS**  trans-89.686.7174.534.7-33000111.5N507N507-P509 VanDerWaalsContact O-CD 3.28Å; N507-P509 WeakPolarHBondContact O-CD 3.36Å
510F26.2Very low27Very low139 Ų139150.9 Ų150.961%0.6176%0.76SS**  trans-104.591.9156.2-93.1-77.9000109.2F508F508-F510 PolarHBondContact O-N 2.82Å
511K27.8Very low26.8Very low195 Ų195151.2 Ų151.285%0.84876%0.764SS**  trans-126.7130.4160.9-94.2-172.6174.5-179.50110.1
512L25.2Very low26.6Very low164 Ų164155.8 Ų155.886%0.85978%0.776SS**PPolyproline II helixtrans-65.8141.5-176.7-66.471.9000110.6
513F26.9Very low26.4Very low209 Ų209157.6 Ų157.692%0.91778%0.778SS**PPolyproline II helixtrans-103.3131.1156.1-94.2-87.3000110.3
514R26.4Very low26.2Very low237 Ų237159 Ų15989%0.89478%0.782SS**PPolyproline II helixtrans-92.7158.5165.7-82.4-176.8173.3175.8-1.6109.5
515K26.1Very low26.2Very low217 Ų217163 Ų16394%0.94381%0.808SS**  trans-37.5147.7175.5-59.3179173-1740115.2
516G26.3Very low26.1Very low68 Ų68157.9 Ų157.970%0.70180%0.804SS**  trans163.18616100000114.7
517D28.4Very low26Very low153 Ų153157.9 Ų157.982%0.81880%0.804SS**  trans59129.3145.4-55.8-27.6000124.4
518Q29.7Very low26Very low171 Ų171156.7 Ų156.780%0.79980%0.802SS**  trans70.8103.6142.9-66.3179.910.700121.7
519Q24.1Very low25.9Very low175 Ų175156.8 Ų156.882%0.81881%0.807SS**  13.3120.8129.8-64.6166.8-72.900118
520Q25.9Very low25.9Very low176 Ų176158.5 Ų158.582%0.82281%0.808SS**  -173.9157.290.4-116.8163.3-3700113
521D24.4Very low25.8Very low134 Ų134156.6 Ų156.672%0.71781%0.805SS**  trans-14.5136.9170.9-49.2-48.1000119.2
522I26.4Very low25.6Very low172 Ų172153.8 Ų153.888%0.88281%0.808SS**  -177.7146.2117.2-90.9153.6000111.2
523V25.1Very low25.6Very low119 Ų119152.4 Ų152.472%0.72181%0.811SS**  trans-87158.4-175.7168.80000111.6
524D25.5Very low25.5Very low147 Ų147149.3 Ų149.379%0.78680%0.797SS**  trans64.2112.2170.3-65.9-25.3000119.3
525T25.7Very low25.4Very low139 Ų139147.3 Ų147.385%0.85380%0.795SS**  -168.3119.8128.3110000111.9
526G23.7Very low25.4Very low62 Ų62145.1 Ų145.164%0.63979%0.793SS**  trans-77.4172.2148.800000110.5
527E23.9Very low25.3Very low178 Ų178150.7 Ų150.783%0.83280%0.798SS**  trans7242.1168.1-53.3-163145.900119.8
528V25Very low25.1Very low121 Ų121149.8 Ų149.873%0.73379%0.794SS**  trans-138.886.2155.4-164.30000113.8
529M24.9Very low24.9Very low194 Ų194148.4 Ų148.496%0.95679%0.789SS**SBendtrans-137.333.7158.1-101.3-76.4-90.100110.5
530L25.6Very low24.9Very low158 Ų158149.4 Ų149.483%0.82779%0.79SS**SBendtrans-15133.8-172.4-130.2169.7000114.2
531D24.7Very low25Very low100 Ų100144.4 Ų144.454%0.53579%0.787SS.*  trans-147.89.3168.7-141.331.9000117.7C533 K534D531-C533 PolarHBondContact O-N 2.8Å; D531-K534 WeakPolarHBondContact OD1-CD 3.22Å; D531-K534 IonicContact OD1-NZ 2.83Å
532C23.5Very low25Very low136 Ų136149.4 Ų149.492%0.91980%0.795SS**THydrogen-bonded Turntrans-83.811.6177-149.80000114.6
533C25.1Very low24.9Very low135 Ų135150.9 Ų150.991%0.91280%0.795SS**THydrogen-bonded Turntrans-115.514.8176.5-66.80000113.8D531D531-C533 PolarHBondContact O-N 2.8Å
534K24.5Very low24.9Very low144 Ų144149.4 Ų149.463%0.62680%0.796SS**SBendtrans-117.49.8-170.8-99.4169.7173.71760117D531D531-K534 WeakPolarHBondContact OD1-CD 3.22Å; D531-K534 IonicContact OD1-NZ 2.83Å
535K24.6Very low24.8Very low195 Ų195149.6 Ų149.685%0.84880%0.796SS**SBendtrans-132.172.5174.2-70.6-175.7-178.3172.80113
536N27Very low24.7Very low171 Ų171149.8 Ų149.891%0.91479%0.792SS**  trans-161.691.9139.5-95.7-22.9000109
537F23.7Very low24.7Very low184 Ų184152.8 Ų152.881%0.80780%0.797SS**  trans-84.8164.8174.3-104.7-98.6000111
538N24.8Very low24.7Very low135 Ų135149.7 Ų149.772%0.72279%0.79SS**  trans85.4131.8-178.9-64.5-34.9000115.2
539M25.3Very low24.7Very low142 Ų142151.3 Ų151.370%0.780%0.795SS**  cis-151.6137.14.4-121.6-176.7-64.400113.4
540K24.4Very low24.7Very low195 Ų195147.4 Ų147.485%0.84878%0.782SS**  trans31.8124.8142.5-60.9168.7-178.3171.20120.4
541G26.6Very low24.7Very low72 Ų72147 Ų14774%0.74278%0.781SS**  trans154.893.313600000120.7
542R24.8Very low24.8Very low239 Ų239146.6 Ų146.690%0.90279%0.791SS**  trans58.1122.8143.5-61.9-179.9-175.7-172.91.7118.8
543K24.9Very low24.9Very low203 Ų203147 Ų14788%0.88379%0.789SS**  54.3136.185.6-72.2-168.5176.5-169.10114
544A23.7Very low25Very low88 Ų88144.4 Ų144.473%0.72778%0.777SS**  cis-166.3-176.3-10.700000108.5
545L24Very low25.2Very low150 Ų150145.2 Ų145.279%0.78579%0.789SS**  trans-9138.6161.4-87.366.2000116.8
546D23.2Very low25.4Very low143 Ų143139.2 Ų139.277%0.76578%0.782SS**  -166.6-174.466.2-111.1-38.3000115.5
547V24.3Very low25.4Very low125 Ų125136.9 Ų136.976%0.75877%0.774SS**  trans-76.9162-171.5-160.20000114.5
548V24.7Very low25.6Very low114 Ų114132.9 Ų132.969%0.69177%0.769SS**  trans101.8130.7152.6-172.20000118.8
549D23.5Very low25.7Very low154 Ų154130.3 Ų130.382%0.82476%0.761SS**  trans68165.4156-68.4-13.7000124
550T26.8Very low25.8Very low112 Ų112131.4 Ų131.469%0.68777%0.77SS**  trans-93.6169.6-158.651.40000114
551D23.9Very low26.1Very low151 Ų151126.4 Ų126.481%0.80776%0.76SS**  trans83.2155.2158.1-53.5-49.3000119.8
552A26.5Very low26.3Very low91 Ų91129.4 Ų129.475%0.75275%0.749SS**  trans73.286.2166.800000120.4
553V26.2Very low26.5Very low143 Ų143123.6 Ų123.687%0.86774%0.735SS**  58.1124.7109.7175.70000121.1
554A28.1Very low26.8Very low81 Ų81117.1 Ų117.167%0.66972%0.72SS**  trans92.5129.6144.800000123.5
555D27.9Very low27.2Very low162 Ų162115.9 Ų115.987%0.86670%0.703SS**  trans80.7103.1139.2-62.6-9000125.1
556G28.4Very low27.5Very low68 Ų68116.5 Ų116.570%0.70170%0.695SS**  trans85143.3137.300000118.4
557T27.5Very low27.9Very low123 Ų123113.2 Ų113.276%0.75568%0.68SS**  cis-156.7179.7-12.237.60000108.1
558S28Very low28.1Very low99 Ų99115.4 Ų115.469%0.69268%0.675SS**  trans69.4110.4-173.273.20000114.3
559S26.9Very low28.4Very low81 Ų81113.4 Ų113.457%0.56666%0.66SS**  96.6138.855.168.40000112.4
560D27.9Very low28.7Very low165 Ų165107.5 Ų107.588%0.88263%0.633SS**SBendtrans77.711.7170.4-52.5-11.4000121.7
561S31Very low28.9Very low91 Ų91108.3 Ų108.364%0.63663%0.627SS**SBendtrans-132.56.9168.870.30000115.9T565S561-T565 PolarHBondContact O-OG1 2.85Å
562R29.8Very low29.1Very low134 Ų134107.3 Ų107.351%0.50661%0.612SS.*SBendtrans-84-24.3-165.4-69.7-177.7177.4-176.9-2.6115T565 R566R562-T565 PolarHBondContact O-N 3.07Å; R562-R566 VanDerWaalsContact O-CB 3.28Å; R562-R566 WeakPolarHBondContact O-CB 3.44Å; R562-R566 VanDerWaalsContact O-CG 3.31Å; R562-R566 WeakPolarHBondContact O-CG 3.2Å; R562-R566 PolarHBondContact O-N 2.8Å
563D30.2Very low29.2Very low117 Ų117106.6 Ų106.663%0.62660%0.601SS**Hα-helixtrans-77.8-43.8-170.9-60-29.6000113.5T565 R566 V567D563-T565 PolarHBondContact O-N 2.81Å; D563-T565 VanDerWaalsContact O-N 3.14Å; D563-R566 PolarHBondContact O-N 3.32Å; D563-V567 WeakPolarHBondContact O-CG2 3.38Å; D563-V567 PolarHBondContact O-N 3.22Å
564A30.2Very low29.3Very low67 Ų67103.3 Ų103.355%0.55458%0.584SS**Hα-helixtrans-63-21.2173.800000113.3
565T32.6Very low29.4Very low62 Ų62103.2 Ų103.238%0.3858%0.583SS.*Hα-helixtrans-95.2-34.3178.7-48.20000111.7S561 R562 D563 R568 N569S561-T565 PolarHBondContact O-OG1 2.85Å; R562-T565 PolarHBondContact O-N 3.07Å; D563-T565 PolarHBondContact O-N 2.81Å; D563-T565 VanDerWaalsContact O-N 3.14Å; T565-R568 PolarHBondContact O-N 3.11Å; T565-N569 WeakPolarHBondContact O-CB 3.3Å; T565-N569 PolarHBondContact O-N 3.08Å
566R29.8Very low29.5Very low164 Ų164100.6 Ų100.662%0.61957%0.568SS**Hα-helixtrans-63.8-45.2171.3-84.4175165.6175.6-8.7111.8R562 D563 R568 N569 A570R562-R566 VanDerWaalsContact O-CB 3.28Å; R562-R566 WeakPolarHBondContact O-CB 3.44Å; R562-R566 VanDerWaalsContact O-CG 3.31Å; R562-R566 WeakPolarHBondContact O-CG 3.2Å; R562-R566 PolarHBondContact O-N 2.8Å; D563-R566 PolarHBondContact O-N 3.32Å; R566-R568 VanDerWaalsContact C-N 3.29Å; R566-R568 PolarHBondContact O-N 3.06Å; R566-N569 PolarHBondContact O-N 3.32Å; R566-A570 WeakPolarHBondContact O-CB 3.34Å; R566-A570 PolarHBondContact O-N 3.03Å
567V30.9Very low29.6Very low74 Ų74105.4 Ų105.445%0.44857%0.572SS.*Hα-helixtrans-59.2-43174.7174.60000110.8D563 F571D563-V567 WeakPolarHBondContact O-CG2 3.38Å; D563-V567 PolarHBondContact O-N 3.22Å; V567-F571 HydrophobicContact CG1-CD2 4.47Å; V567-F571 PolarHBondContact O-N 3.39Å
568R29.7Very low29.6Very low170 Ų170106.7 Ų106.764%0.64257%0.571SS**Hα-helixtrans-68.8-33.9179.7-161.9-179.7-65.9130.4-0.2113.4T565 R566T565-R568 PolarHBondContact O-N 3.11Å; R566-R568 VanDerWaalsContact C-N 3.29Å; R566-R568 PolarHBondContact O-N 3.06Å
569N30.7Very low29.5Very low72 Ų72105.3 Ų105.339%0.38557%0.573SS.*Hα-helixtrans-84.5-28.9176.5-75.1-11.5000113.1T565 R566 R572 C573T565-N569 WeakPolarHBondContact O-CB 3.3Å; T565-N569 PolarHBondContact O-N 3.08Å; R566-N569 PolarHBondContact O-N 3.32Å; N569-R572 CarbonylContact O-C 3.57Å; N569-R572 WeakPolarHBondContact O-CA 3.23Å; N569-R572 WeakPolarHBondContact O-CB 3.38Å; N569-R572 PolarHBondContact O-N 3.32Å; N569-C573 PolarHBondContact O-N 3.26Å
570A30.5Very low29.5Very low30 Ų30107.4 Ų107.425%0.24859%0.588CS.*Hα-helixtrans-68.2-38.6175.500000110.9R398 R566 R572 S574R398-A570 VanDerWaalsContact CZ-C 3.44Å; R398-A570 VanDerWaalsContact NH1-C 3.31Å; R398-A570 PolarHBondContact NH1-O 2.98Å; R398-A570 PolarHBondContact NH2-O 3.33Å; R566-A570 WeakPolarHBondContact O-CB 3.34Å; R566-A570 PolarHBondContact O-N 3.03Å; A570-R572 PolarHBondContact O-N 2.89Å; A570-S574 PolarHBondContact O-N 3.14Å; A570-S574 PolarHBondContact O-OG 3.11Å
571F30.2Very low29.5Very low130 Ų130102.9 Ų102.957%0.5757%0.568SS**Hα-helixtrans-60.6-20166.8-96-83.2000113.6V567V567-F571 HydrophobicContact CG1-CD2 4.47Å; V567-F571 PolarHBondContact O-N 3.39Å
572R28.2Very low29.5Very low130 Ų130108.2 Ų108.249%0.49158%0.58SS.*Hα-helixtrans-87.8-40.7-177.6-144.6172.2-178.8-177.7-2.7112.4N569 A570 I576N569-R572 CarbonylContact O-C 3.57Å; N569-R572 WeakPolarHBondContact O-CA 3.23Å; N569-R572 WeakPolarHBondContact O-CB 3.38Å; N569-R572 PolarHBondContact O-N 3.32Å; A570-R572 PolarHBondContact O-N 2.89Å; R572-I576 VanDerWaalsContact O-CD1 3.3Å; R572-I576 WeakPolarHBondContact O-CD1 3.3Å; R572-I576 VanDerWaalsContact O-CG1 3.3Å; R572-I576 WeakPolarHBondContact O-CG1 3.5Å
573C27.7Very low29.6Very low76 Ų76107.2 Ų107.251%0.51459%0.585SS.*Hα-helixtrans-70.4-46.2178.6-640000112.5N569 A575 I576 E577N569-C573 PolarHBondContact O-N 3.26Å; C573-A575 PolarHBondContact O-N 2.72Å; C573-A575 VanDerWaalsContact O-N 3.14Å; C573-I576 PolarHBondContact O-N 3.46Å; C573-I576 VanDerWaalsContact O-N 3.12Å; C573-E577 PolarHBondContact O-N 2.61Å
574S30.1Very low29.6Very low73 Ų73108.2 Ų108.251%0.5158%0.581SS.*THydrogen-bonded Turntrans-67.3-16.1-177.5-52.20000114.6R398 A570R398-S574 PolarHBondContact NH2-OG 3.2Å; A570-S574 PolarHBondContact O-N 3.14Å; A570-S574 PolarHBondContact O-OG 3.11Å
575A29.6Very low29.7Very low79 Ų79107.7 Ų107.765%0.65358%0.582SS**THydrogen-bonded Turntrans-92.1-10.3177.300000113.7C573C573-A575 PolarHBondContact O-N 2.72Å; C573-A575 VanDerWaalsContact O-N 3.14Å
576I29.4Very low29.8Very low107 Ų107109 Ų10955%0.54959%0.593SS.*THydrogen-bonded Turntrans-103.2-28-174.5-68.6173.7000111.8R572 C573R572-I576 VanDerWaalsContact O-CD1 3.3Å; R572-I576 WeakPolarHBondContact O-CD1 3.3Å; R572-I576 VanDerWaalsContact O-CG1 3.3Å; R572-I576 WeakPolarHBondContact O-CG1 3.5Å; C573-I576 PolarHBondContact O-N 3.46Å; C573-I576 VanDerWaalsContact O-N 3.12Å
577E30.7Very low30Very low170 Ų170104.2 Ų104.279%0.79458%0.579SS**SBendtrans-86.6-8.7-177.7-68.4179.2153.200114.8C573C573-E577 PolarHBondContact O-N 2.61Å
578M27.6Very low30.7Very low149 Ų149105.6 Ų105.673%0.73458%0.581SS**  trans-114.652.7-177.4-68.5-112.9-75.900112.5S580M578-S580 PolarHBondContact O-N 3.28Å; M578-S580 VanDerWaalsContact O-N 3.11Å
579G26Very low31.4Very low71 Ų71100.3 Ų100.373%0.73257%0.573SS**  trans-79.283.8179.500000114
580S26.8Very low32.1Very low124 Ų124101.4 Ų101.487%0.86758%0.576SS**  trans176.447.315652.70000115.8M578M578-S580 PolarHBondContact O-N 3.28Å; M578-S580 VanDerWaalsContact O-N 3.11Å
581C27.9Very low32.8Very low70 Ų70101 Ų10147%0.47357%0.57SS.*  trans-144.4119.8171.2-166.20000112.8D583 Y584C581-D583 VanDerWaalsContact C-N 3.32Å; C581-Y584 HydrophobicContact CB-CD2 3.83Å; C581-Y584 HydrophobicContact CB-CE2 3.9Å
582K30Very low33.7Very low204 Ų20499.4 Ų99.489%0.88756%0.563SS**SBendtrans-81.8-9.2-177.7-74.3-178175.9177.40113.4
583D33.3Very low34.6Very low113 Ų11395.1 Ų95.160%0.60455%0.553SS**  trans-97.3-12.6-161-50.1-54.8000114.3C581 G585 C586C581-D583 VanDerWaalsContact C-N 3.32Å; D583-G585 PolarHBondContact O-N 3.15Å; D583-G585 VanDerWaalsContact O-N 3.16Å; D583-C586 PolarHBondContact O-N 2.99Å
584Y30.1Very low35.6Very low137 Ų13793 Ų9354%0.53754%0.536SS..Hα-helixtrans-66.2-16.7-177.5-84.7-89.7000115.4C581 H588C581-Y584 HydrophobicContact CB-CD2 3.83Å; C581-Y584 HydrophobicContact CB-CE2 3.9Å; Y584-H588 PolarHBondContact O-ND1 2.75Å
585G32.8Very low36.5Very low57 Ų5789.7 Ų89.759%0.58851%0.513SS*.Hα-helixtrans-68.4-36.3174.300000112.7D583D583-G585 PolarHBondContact O-N 3.15Å; D583-G585 VanDerWaalsContact O-N 3.16Å
586C33.9Very low37.3Very low90 Ų9087.3 Ų87.361%0.60849%0.492SS*.Hα-helixtrans-70-41.8177.9-64.90000111.4D583 H588 A589 E590D583-C586 PolarHBondContact O-N 2.99Å; C586-H588 VanDerWaalsContact C-N 3.32Å; C586-H588 PolarHBondContact O-N 2.79Å; C586-A589 PolarHBondContact O-N 2.74Å; C586-A589 VanDerWaalsContact O-N 3.08Å; C586-E590 PolarHBondContact O-N 3.08Å
587L34.3Very low38.3Very low63 Ų6387.6 Ų87.633%0.3349%0.489SS..Hα-helixtrans-60.3-39.9-177.9-142.285.6000112.6I421 V591I421-L587 HydrophobicContact CD1-CD2 4.21Å; I421-L587 HydrophobicContact CD1-CG 4.35Å; L587-V591 WeakPolarHBondContact O-CB 3.38Å; L587-V591 VanDerWaalsContact O-CG2 3.28Å; L587-V591 WeakPolarHBondContact O-CG2 3.25Å; L587-V591 PolarHBondContact O-N 3.06Å
588H45.6Very low39.2Very low103 Ų10379.7 Ų79.748%0.47745%0.452SS..Hα-helixtrans-65.4-40.8175.3-77.388000112.1Y584 C586 F592Y584-H588 PolarHBondContact O-ND1 2.75Å; C586-H588 VanDerWaalsContact C-N 3.32Å; C586-H588 PolarHBondContact O-N 2.79Å; H588-F592 WeakPolarHBondContact O-CB 3.13Å; H588-F592 WeakPolarHBondContact O-CD2 3.34Å; H588-F592 PolarHBondContact O-N 2.97Å
589A43.8Very low40.2Very low58 Ų5874.1 Ų74.148%0.47943%0.425SS..Hα-helixtrans-66.6-40.9178.100000112.1C586 C593C586-A589 PolarHBondContact O-N 2.74Å; C586-A589 VanDerWaalsContact O-N 3.08Å; A589-C593 WeakPolarHBondContact O-CB 3.27Å; A589-C593 PolarHBondContact O-N 2.94Å
590E44.6Very low41.3Very low95 Ų9574 Ų7444%0.44441%0.408SS..Hα-helixtrans-66.5-45.3175.7-72.7-171.1145.500112.5C586 F592 C593 L594C586-E590 PolarHBondContact O-N 3.08Å; E590-F592 PolarHBondContact O-N 3.29Å; E590-C593 WeakPolarHBondContact O-CB 3.41Å; E590-C593 PolarHBondContact O-N 3.35Å; E590-C593 VanDerWaalsContact O-N 3.15Å; E590-L594 WeakPolarHBondContact O-CB 3.4Å; E590-L594 WeakPolarHBondContact O-CG 3.29Å; E590-L594 PolarHBondContact O-N 3.36Å
591V45.5Very low42.3Very low23 Ų2375 Ų7514%0.13940%0.399CS..Hα-helixtrans-60.6-45.4175.51700000110.7I421 L426 L587 C593 A595I421-V591 HydrophobicContact CD1-CG2 3.54Å; L426-V591 HydrophobicContact CD2-CG1 4.46Å; L587-V591 WeakPolarHBondContact O-CB 3.38Å; L587-V591 VanDerWaalsContact O-CG2 3.28Å; L587-V591 WeakPolarHBondContact O-CG2 3.25Å; L587-V591 PolarHBondContact O-N 3.06Å; V591-C593 VanDerWaalsContact C-N 3.34Å; V591-C593 PolarHBondContact O-N 3.02Å; V591-A595 WeakPolarHBondContact O-CB 3.48Å; V591-A595 PolarHBondContact O-N 3.04Å
592F49.4Very low43Very low95 Ų9575.7 Ų75.742%0.41740%0.4SS..Hα-helixtrans-62.7-38.1174.1-97.4-89.4000112.6H588 E590 S596H588-F592 WeakPolarHBondContact O-CB 3.13Å; H588-F592 WeakPolarHBondContact O-CD2 3.34Å; H588-F592 PolarHBondContact O-N 2.97Å; E590-F592 PolarHBondContact O-N 3.29Å; F592-S596 VanDerWaalsContact O-CB 3.27Å; F592-S596 WeakPolarHBondContact O-CB 3.31Å; F592-S596 PolarHBondContact O-N 3.28Å; F592-S596 PolarHBondContact O-OG 2.92Å
593C48Very low43.7Very low40 Ų4067.8 Ų67.827%0.2737%0.37SS..Hα-helixtrans-66.2-50.4178.7-174.90000112F287 A589 E590 V591 S596 K597F287-C593 HydrophobicContact CZ-CB 4.21Å; A589-C593 WeakPolarHBondContact O-CB 3.27Å; A589-C593 PolarHBondContact O-N 2.94Å; E590-C593 WeakPolarHBondContact O-CB 3.41Å; E590-C593 PolarHBondContact O-N 3.35Å; E590-C593 VanDerWaalsContact O-N 3.15Å; V591-C593 VanDerWaalsContact C-N 3.34Å; V591-C593 PolarHBondContact O-N 3.02Å; C593-S596 PolarHBondContact O-N 2.86Å; C593-S596 PolarHBondContact O-OG 3.11Å; C593-K597 PolarHBondContact O-N 3.48Å; C593-K597 VanDerWaalsContact O-N 3.08Å
594L47.9Very low44.4Very low32 Ų3271.2 Ų71.217%0.16838%0.383CS..Hα-helixtrans-60.1-48.6174.6-71.2165.2000110.9I421 M423 L426 E590 S596 K597 L598I421-L594 WeakPolarHBondContact O-CD1 3.38Å; M423-L594 HydrophobicContact CB-CD2 4.31Å; M423-L594 HydrophobicContact CE-CB 4.41Å; M423-L594 HydrophobicContact CE-CD2 3.65Å; M423-L594 HydrophobicContact SD-CB 3.97Å; M423-L594 HydrophobicContact SD-CD2 3.9Å; L426-L594 HydrophobicContact CD1-CB 3.43Å; L426-L594 VanDerWaalsContact CD1-CB 3.43Å; L426-L594 HydrophobicContact CD1-CD1 4.05Å; L426-L594 HydrophobicContact CD1-CG 4.37Å; E590-L594 WeakPolarHBondContact O-CB 3.4Å; E590-L594 WeakPolarHBondContact O-CG 3.29Å; E590-L594 PolarHBondContact O-N 3.36Å; L594-S596 VanDerWaalsContact C-N 3.28Å; L594-S596 PolarHBondContact O-N 3.34Å; L594-K597 WeakPolarHBondContact O-CB 3.4Å; L594-K597 PolarHBondContact O-N 3.16Å; L594-K597 VanDerWaalsContact O-N 3.16Å; L594-L598 PolarHBondContact O-N 3.16Å
595A48.3Very low45.7Very low3 Ų366.3 Ų66.33%0.02536%0.364CS..Hα-helixtrans-57.9-39.3176.800000112.1F386 I390 V591 L598 I599F386-A595 HydrophobicContact CE1-CB 3.67Å; F386-A595 HydrophobicContact CZ-CB 3.67Å; F386-A595 VanDerWaalsContact CZ-O 3.23Å; F386-A595 WeakPolarHBondContact CZ-O 3.33Å; I390-A595 HydrophobicContact CD1-CB 3.94Å; V591-A595 WeakPolarHBondContact O-CB 3.48Å; V591-A595 PolarHBondContact O-N 3.04Å; A595-L598 WeakPolarHBondContact O-CA 3.28Å; A595-L598 WeakPolarHBondContact O-CB 3.48Å; A595-L598 PolarHBondContact O-N 2.98Å; A595-L598 VanDerWaalsContact O-N 3.16Å; A595-I599 WeakPolarHBondContact O-CG1 3.3Å; A595-I599 PolarHBondContact O-N 3.33Å
596S48Very low46.8Very low29 Ų2967.2 Ų67.220%0.20336%0.356CS..Hα-helixtrans-67.8-36.9176.673.60000113.9F287 F592 C593 L594 L598 I599F287-S596 VanDerWaalsContact CE1-OG 3.23Å; F287-S596 WeakPolarHBondContact CE1-OG 3.37Å; F592-S596 VanDerWaalsContact O-CB 3.27Å; F592-S596 WeakPolarHBondContact O-CB 3.31Å; F592-S596 PolarHBondContact O-N 3.28Å; F592-S596 PolarHBondContact O-OG 2.92Å; C593-S596 PolarHBondContact O-N 2.86Å; C593-S596 PolarHBondContact O-OG 3.11Å; L594-S596 VanDerWaalsContact C-N 3.28Å; L594-S596 PolarHBondContact O-N 3.34Å; S596-L598 VanDerWaalsContact C-N 3.28Å; S596-I599 WeakPolarHBondContact O-CB 3.26Å; S596-I599 PolarHBondContact O-N 3.18Å
597K49.7Very low48.3Very low113 Ų11363.9 Ų63.949%0.49133%0.332SS..Hα-helixtrans-65.2-36169.9-72.1174.7177.81780110.7M423 C593 L594 I599 L600 Q601M423-K597 HydrophobicContact CE-CB 3.56Å; M423-K597 HydrophobicContact CE-CD 3.97Å; M423-K597 HydrophobicContact CE-CG 4.41Å; C593-K597 PolarHBondContact O-N 3.48Å; C593-K597 VanDerWaalsContact O-N 3.08Å; L594-K597 WeakPolarHBondContact O-CB 3.4Å; L594-K597 PolarHBondContact O-N 3.16Å; L594-K597 VanDerWaalsContact O-N 3.16Å; K597-I599 PolarHBondContact O-N 3.17Å; K597-L600 PolarHBondContact O-N 2.61Å; K597-Q601 PolarHBondContact O-N 2.71Å
598L49.3Very low49.8Very low4 Ų463 Ų632%0.02132%0.324CS..Hα-helixtrans-62.6-38.2175.8-145.777.3000112.9M423 L427 F430 L594 A595 S596 L600 Q601 V602M423-L598 HydrophobicContact CG-CD1 3.65Å; M423-L598 HydrophobicContact SD-CB 4.34Å; M423-L598 HydrophobicContact SD-CD1 3.49Å; M423-L598 WeakPolarHBondContact SD-CD1 3.5Å; L427-L598 HydrophobicContact CD1-CD1 4.13Å; L427-L598 HydrophobicContact CD2-CD1 3.79Å; L427-L598 HydrophobicContact CD2-CD2 4.25Å; L427-L598 HydrophobicContact CD2-CG 4.33Å; L427-L598 HydrophobicContact CG-CD1 3.66Å; L427-L598 HydrophobicContact CG-CD2 4.45Å; F430-L598 HydrophobicContact CD2-CD2 3.96Å; F430-L598 HydrophobicContact CE2-CD2 4.2Å; F430-L598 HydrophobicContact CG-CD2 4.47Å; L594-L598 PolarHBondContact O-N 3.16Å; A595-L598 WeakPolarHBondContact O-CA 3.28Å; A595-L598 WeakPolarHBondContact O-CB 3.48Å; A595-L598 PolarHBondContact O-N 2.98Å; A595-L598 VanDerWaalsContact O-N 3.16Å; S596-L598 VanDerWaalsContact C-N 3.28Å; L598-L600 PolarHBondContact O-N 2.67Å; L598-Q601 PolarHBondContact O-N 3.39Å; L598-V602 HydrophobicContact CD1-CG2 4.29Å; L598-V602 HydrophobicContact CD2-CG2 4.36Å; L598-V602 HydrophobicContact CG-CG2 3.77Å; L598-V602 VanDerWaalsContact O-CB 3.31Å; L598-V602 WeakPolarHBondContact O-CB 3.3Å; L598-V602 WeakPolarHBondContact O-CG2 3.46Å; L598-V602 PolarHBondContact O-N 2.84Å
599I48.6Very low51.1Low33 Ų3359.2 Ų59.217%0.16931%0.306CS..Hα-helixtrans-54.1-42.7174.3-58.8166.9000111.3F386 A595 S596 K597 S603F386-I599 HydrophobicContact CB-CD1 3.99Å; F386-I599 HydrophobicContact CB-CG1 4.27Å; F386-I599 HydrophobicContact CD1-CD1 3.3Å; F386-I599 HydrophobicContact CD1-CG1 3.61Å; F386-I599 HydrophobicContact CD2-CD1 4.19Å; F386-I599 HydrophobicContact CD2-CG1 3.64Å; F386-I599 HydrophobicContact CE1-CD1 3.61Å; F386-I599 HydrophobicContact CE1-CG1 3.6Å; F386-I599 HydrophobicContact CE2-CD1 4.47Å; F386-I599 HydrophobicContact CE2-CG1 3.67Å; F386-I599 HydrophobicContact CG-CD1 3.58Å; F386-I599 HydrophobicContact CG-CG1 3.58Å; F386-I599 HydrophobicContact CZ-CD1 4.19Å; F386-I599 HydrophobicContact CZ-CG1 3.62Å; A595-I599 WeakPolarHBondContact O-CG1 3.3Å; A595-I599 PolarHBondContact O-N 3.33Å; S596-I599 WeakPolarHBondContact O-CB 3.26Å; S596-I599 PolarHBondContact O-N 3.18Å; K597-I599 PolarHBondContact O-N 3.17Å; I599-S603 PolarHBondContact O-N 3.05Å; I599-S603 PolarHBondContact O-OG 3.4Å
600L49.3Very low52.7Low69 Ų6956.5 Ų56.536%0.36128%0.284SS..Hα-helixtrans-76.4-28.3-176.2-65.4170000112.5K597 L598K597-L600 PolarHBondContact O-N 2.61Å; L598-L600 PolarHBondContact O-N 2.67Å
601Q48.3Very low54.4Low145 Ų14552.5 Ų52.568%0.67827%0.265SS*.Hα-helixtrans-89.1-34.7177.7-68.5-173.9-58.400113.8K597 L598K597-Q601 PolarHBondContact O-N 2.71Å; L598-Q601 PolarHBondContact O-N 3.39Å
602V43.2Very low56Low84 Ų8451.5 Ų51.551%0.50926%0.259SS..Hα-helixtrans-91.4-9.5-173.4176.30000112.8L427 L598L427-V602 HydrophobicContact CD2-CG2 3.98Å; L598-V602 HydrophobicContact CD1-CG2 4.29Å; L598-V602 HydrophobicContact CD2-CG2 4.36Å; L598-V602 HydrophobicContact CG-CG2 3.77Å; L598-V602 VanDerWaalsContact O-CB 3.31Å; L598-V602 WeakPolarHBondContact O-CB 3.3Å; L598-V602 WeakPolarHBondContact O-CG2 3.46Å; L598-V602 PolarHBondContact O-N 2.84Å
603S43.8Very low57.4Low37 Ų3747.2 Ų47.226%0.25924%0.241SC..SBendtrans-128.9116.1174720000111.9K382 I599 F605K382-S603 PolarHBondContact NZ-OG 3.12Å; I599-S603 PolarHBondContact O-N 3.05Å; I599-S603 PolarHBondContact O-OG 3.4Å; S603-F605 PolarHBondContact O-N 3.43Å
604E48.9Very low59Low186 Ų18646.6 Ų46.687%0.86923%0.233SC*.  trans-51114165.2-70.3-173.9146.600108.3K382K382-E604 PolarHBondContact NZ-O 3.37Å
605F55.7Low60.6Low33 Ų3345.6 Ų45.615%0.14523%0.229CC..  trans-119.564.1176.9-167.1-121.2000109K378 L379 K382 S603 L607K378-F605 HydrophobicContact CB-CE2 4.01Å; K378-F605 HydrophobicContact CB-CZ 3.71Å; L379-F605 HydrophobicContact CD2-CD1 4.11Å; L379-F605 HydrophobicContact CD2-CE1 3.37Å; L379-F605 HydrophobicContact CD2-CZ 3.87Å; L379-F605 HydrophobicContact CG-CE1 3.83Å; L379-F605 HydrophobicContact CG-CZ 4.04Å; K382-F605 HydrophobicContact CD-CD2 3.69Å; K382-F605 HydrophobicContact CD-CE2 3.85Å; K382-F605 HydrophobicContact CD-CG 4.33Å; K382-F605 HydrophobicContact CG-CE2 4.48Å; S603-F605 PolarHBondContact O-N 3.43Å; F605-L607 HydrophobicContact CD1-CD1 4.42Å; F605-L607 HydrophobicContact CD1-CG 4.38Å; F605-L607 HydrophobicContact CD2-CG 4.45Å; F605-L607 HydrophobicContact CE1-CD1 3.55Å; F605-L607 HydrophobicContact CE1-CG 3.96Å; F605-L607 HydrophobicContact CE2-CD1 3.98Å; F605-L607 HydrophobicContact CE2-CD2 4.38Å; F605-L607 HydrophobicContact CE2-CG 4.09Å; F605-L607 HydrophobicContact CZ-CD1 3.33Å; F605-L607 HydrophobicContact CZ-CG 3.86Å; F605-L607 PolarHBondContact O-N 3.49Å
606D57.7Low61.9Low76 Ų7649 Ų4941%0.40625%0.25SS..  trans-78106.5174.7-162.6-10.3000110.1R608D606-R608 VanDerWaalsContact CG-NE 3.29Å; D606-R608 VanDerWaalsContact CG-NH2 3.27Å; D606-R608 WeakPolarHBondContact OD1-CB 3.17Å; D606-R608 VanDerWaalsContact OD1-CG 3.3Å; D606-R608 WeakPolarHBondContact OD1-CG 3.4Å; D606-R608 IonicContact OD1-CZ 2.72Å; D606-R608 PolarHBondContact OD1-N 2.73Å; D606-R608 IonicContact OD1-NE 2.76Å; D606-R608 PolarHBondContact OD1-NE 2.92Å; D606-R608 IonicContact OD1-NH2 3.56Å; D606-R608 IonicContact OD2-CZ 3.73Å; D606-R608 VanDerWaalsContact OD2-CZ 3.32Å; D606-R608 IonicContact OD2-NE 3.52Å; D606-R608 PolarHBondContact OD2-NE 3.17Å; D606-R608 IonicContact OD2-NH2 3.6Å; D606-R608 PolarHBondContact OD2-NH2 3.14Å
607L64.6Low63.2Low21 Ų2149.9 Ų49.911%0.1125%0.254CS..  trans-113.329.9168.5-65.6-171.5000111.5F374 I375 K378 F605 F609 L633F374-L607 HydrophobicContact CE1-CD2 4.06Å; I375-L607 HydrophobicContact CB-CD1 4.33Å; I375-L607 HydrophobicContact CG1-CD1 3.86Å; I375-L607 HydrophobicContact CG2-CD1 4.46Å; K378-L607 HydrophobicContact CB-CD1 4.06Å; K378-L607 HydrophobicContact CG-CD1 4.33Å; F605-L607 HydrophobicContact CD1-CD1 4.42Å; F605-L607 HydrophobicContact CD1-CG 4.38Å; F605-L607 HydrophobicContact CD2-CG 4.45Å; F605-L607 HydrophobicContact CE1-CD1 3.55Å; F605-L607 HydrophobicContact CE1-CG 3.96Å; F605-L607 HydrophobicContact CE2-CD1 3.98Å; F605-L607 HydrophobicContact CE2-CD2 4.38Å; F605-L607 HydrophobicContact CE2-CG 4.09Å; F605-L607 HydrophobicContact CZ-CD1 3.33Å; F605-L607 HydrophobicContact CZ-CG 3.86Å; F605-L607 PolarHBondContact O-N 3.49Å; L607-F609 WeakPolarHBondContact O-CD2 3.2Å; L607-F609 WeakPolarHBondContact O-CE2 3.46Å; L607-L633 HydrophobicContact CD2-CD1 3.86Å
608R65.5Low64.5Low44 Ų4444.9 Ų44.917%0.16623%0.234CC..  trans-81.9128.2175.3-64.8171.2-72.9-139.212.9110.8V293 F295 D606 L633V293-R608 HydrophobicContact CB-CG 3.67Å; V293-R608 HydrophobicContact CG1-CG 3.95Å; F295-R608 VanDerWaalsContact CD2-CZ 3.49Å; F295-R608 VanDerWaalsContact CE2-NH1 3.26Å; F295-R608 VanDerWaalsContact CG-CZ 3.41Å; F295-R608 VanDerWaalsContact CG-NH1 3.31Å; D606-R608 VanDerWaalsContact CG-NE 3.29Å; D606-R608 VanDerWaalsContact CG-NH2 3.27Å; D606-R608 WeakPolarHBondContact OD1-CB 3.17Å; D606-R608 VanDerWaalsContact OD1-CG 3.3Å; D606-R608 WeakPolarHBondContact OD1-CG 3.4Å; D606-R608 IonicContact OD1-CZ 2.72Å; D606-R608 PolarHBondContact OD1-N 2.73Å; D606-R608 IonicContact OD1-NE 2.76Å; D606-R608 PolarHBondContact OD1-NE 2.92Å; D606-R608 IonicContact OD1-NH2 3.56Å; D606-R608 IonicContact OD2-CZ 3.73Å; D606-R608 VanDerWaalsContact OD2-CZ 3.32Å; D606-R608 IonicContact OD2-NE 3.52Å; D606-R608 PolarHBondContact OD2-NE 3.17Å; D606-R608 IonicContact OD2-NH2 3.6Å; D606-R608 PolarHBondContact OD2-NH2 3.14Å; R608-L633 WeakPolarHBondContact O-CD2 3.22Å
609F73.3Confident66Low24 Ų2450.7 Ų50.711%0.10526%0.259CS..  trans-96.8120.5176.3-64.1-88.3000110.1P335 I371 F374 L607 I611 L633 H634 L637P335-F609 HydrophobicContact CB-CB 3.96Å; P335-F609 HydrophobicContact CB-CD1 3.87Å; P335-F609 HydrophobicContact CB-CG 4.03Å; P335-F609 HydrophobicContact CG-CB 3.53Å; P335-F609 HydrophobicContact CG-CD1 3.78Å; P335-F609 HydrophobicContact CG-CD2 4.04Å; P335-F609 HydrophobicContact CG-CG 3.5Å; P335-F609 VanDerWaalsContact CG-CG 3.5Å; I371-F609 HydrophobicContact CG2-CD2 4.47Å; I371-F609 HydrophobicContact CG2-CE2 3.98Å; F374-F609 HydrophobicContact CD1-CZ 4.12Å; F374-F609 AromaticContact CE1-CZ 3.97Å; F374-F609 HydrophobicContact CE1-CZ 3.97Å; L607-F609 WeakPolarHBondContact O-CD2 3.2Å; L607-F609 WeakPolarHBondContact O-CE2 3.46Å; F609-I611 PolarHBondContact O-N 3.43Å; F609-L633 HydrophobicContact CD1-CD2 4.07Å; F609-L633 HydrophobicContact CD1-CG 4.17Å; F609-L633 HydrophobicContact CE1-CD2 3.91Å; F609-L633 HydrophobicContact CE1-CG 3.66Å; F609-L633 HydrophobicContact CE2-CD2 4.42Å; F609-L633 HydrophobicContact CG-CD2 4.4Å; F609-L633 HydrophobicContact CZ-CD2 4.08Å; F609-L633 HydrophobicContact CZ-CG 4.01Å; F609-H634 AromaticContact CD1-CD2 3.7Å; F609-H634 AromaticContact CD1-NE2 3.88Å; F609-L637 HydrophobicContact CD1-CD2 4.17Å; F609-L637 HydrophobicContact CE1-CB 3.74Å; F609-L637 HydrophobicContact CE1-CD2 3.46Å; F609-L637 VanDerWaalsContact CE1-CD2 3.46Å; F609-L637 HydrophobicContact CE1-CG 4.14Å; F609-L637 HydrophobicContact CE2-CD2 4.37Å; F609-L637 HydrophobicContact CZ-CB 4.05Å; F609-L637 HydrophobicContact CZ-CD1 4.3Å; F609-L637 HydrophobicContact CZ-CD2 3.6Å; F609-L637 HydrophobicContact CZ-CG 4.19Å
610N77.1Confident67.4Low1 Ų150.8 Ų50.81%0.00526%0.258CS..  trans-76.3104.9171175.9-9.8000109F297 D612 C613 H620 Q630 H634F297-N610 HydrophobicContact CD1-CB 3.65Å; F297-N610 VanDerWaalsContact CE1-CA 3.49Å; F297-N610 HydrophobicContact CE1-CB 3.52Å; F297-N610 HydrophobicContact CG-CB 4.45Å; F297-N610 HydrophobicContact CZ-CB 4.22Å; N610-D612 PolarHBondContact O-N 2.96Å; N610-D612 VanDerWaalsContact O-N 3.1Å; N610-D612 PolarHBondContact OD1-N 3.06Å; N610-C613 VanDerWaalsContact O-CB 3.28Å; N610-C613 WeakPolarHBondContact O-CB 3.32Å; N610-C613 PolarHBondContact O-N 3.05Å; N610-C613 PolarHBondContact OD1-N 2.62Å; N610-H620 PolarHBondContact ND2-CE1 3.32Å; N610-H620 PolarHBondContact ND2-ND1 3.15Å; N610-Q630 HydrophobicContact CB-CB 4.33Å; N610-Q630 HydrophobicContact CB-CG 4.47Å; N610-Q630 VanDerWaalsContact CB-OE1 3.32Å; N610-Q630 PolarHBondContact ND2-OE1 2.92Å; N610-H634 PolarHBondContact O-CE1 3.4Å; N610-H634 VanDerWaalsContact O-CE1 3.29Å; N610-H634 PolarHBondContact O-NE2 2.87Å; N610-H634 VanDerWaalsContact O-NE2 3.15Å
611I80.1Confident68.6Low11 Ų1148.6 Ų48.66%0.05625%0.25CC..THydrogen-bonded Turntrans-56.7-31.3-174.8-60.5163.5000111.6A312 R332 F609A312-I611 HydrophobicContact CB-CG2 4.13Å; R332-I611 HydrophobicContact CB-CG2 3.84Å; F609-I611 PolarHBondContact O-N 3.43Å
612D79.2Confident69.3Low2 Ų245 Ų451%0.01124%0.241CC..THydrogen-bonded Turntrans-90.75.3-178.8-72-33.6000114.6A312 A313 N610 Y614 S615 V618 H620A312-D612 VanDerWaalsContact CA-OD2 3.32Å; A312-D612 WeakPolarHBondContact CA-OD2 3.27Å; A313-D612 WeakPolarHBondContact CB-OD2 3.45Å; A313-D612 PolarHBondContact N-OD2 3.15Å; N610-D612 PolarHBondContact O-N 2.96Å; N610-D612 VanDerWaalsContact O-N 3.1Å; N610-D612 PolarHBondContact OD1-N 3.06Å; D612-Y614 PolarHBondContact O-N 3.17Å; D612-S615 PolarHBondContact O-N 2.63Å; D612-V618 HydrophobicContact CB-CB 4.29Å; D612-V618 HydrophobicContact CB-CG1 4.09Å; D612-V618 HydrophobicContact CB-CG2 4.37Å; D612-H620 PolarHBondContact O-NE2 3.16Å
613C80.2Confident70.2Confident4 Ų446.3 Ų46.33%0.02724%0.241CC..THydrogen-bonded Turntrans-50-29.3-179.9-104.90000115N610 K631N610-C613 VanDerWaalsContact O-CB 3.28Å; N610-C613 WeakPolarHBondContact O-CB 3.32Å; N610-C613 PolarHBondContact O-N 3.05Å; N610-C613 PolarHBondContact OD1-N 2.62Å; C613-K631 HydrophobicContact CB-CG 4.25Å; C613-K631 WeakPolarHBondContact O-CE 3.36Å
614Y81.3Confident71.1Confident27 Ų2754 Ų5411%0.10627%0.273CS..THydrogen-bonded Turntrans-123.522.9178.9-62.5-88.4000112.6P338 I341 A344 D612 K631 H634P338-Y614 HydrophobicContact CB-CE1 4.46Å; P338-Y614 HydrophobicContact CB-CE2 4.45Å; I341-Y614 HydrophobicContact CD1-CD1 3.91Å; I341-Y614 HydrophobicContact CD1-CD2 4.1Å; I341-Y614 HydrophobicContact CD1-CG 3.58Å; I341-Y614 HydrophobicContact CG2-CD1 4.09Å; A344-Y614 HydrophobicContact CB-CD1 4.33Å; A344-Y614 HydrophobicContact CB-CE1 3.73Å; D612-Y614 PolarHBondContact O-N 3.17Å; Y614-K631 HydrophobicContact CE2-CG 4.5Å; Y614-H634 HydrophobicContact CE2-CB 3.87Å; Y614-H634 AromaticContact CE2-ND1 3.95Å
615S80.4Confident72.2Confident12 Ų1246.4 Ų46.48%0.08425%0.245CC..  trans-71.4130.5168.6-172.50000109.9R332 D612 V617R332-S615 PolarHBondContact NH1-OG 2.97Å; R332-S615 PolarHBondContact NH2-OG 3.38Å; D612-S615 PolarHBondContact O-N 2.63Å; S615-V617 PolarHBondContact O-N 2.69Å
616P75.4Confident73Confident73 Ų7347.5 Ų47.547%0.47425%0.251SS..SBendtrans-74.5-13.4-176.728.4-33.3000113.7L154L154-P616 HydrophobicContact CD2-CG 3.89Å
617V75.5Confident73.9Confident48 Ų4845.6 Ų45.629%0.29124%0.239SC..SBendtrans-111.3-30.2-174.1-162.70000112.5F234 S615 K619F234-V617 HydrophobicContact CB-CB 4.22Å; F234-V617 HydrophobicContact CB-CG1 3.92Å; F234-V617 HydrophobicContact CB-CG2 4.21Å; F234-V617 WeakPolarHBondContact O-CB 3.47Å; F234-V617 WeakPolarHBondContact O-CG1 3.27Å; S615-V617 PolarHBondContact O-N 2.69Å; V617-K619 PolarHBondContact O-N 3.29Å
618V78.3Confident74.7Confident9 Ų949.6 Ų49.66%0.05526%0.257CS..  trans-75115.2-178.9-177.70000110.4V299 A313 D612 H620V299-V618 HydrophobicContact CB-CG1 4.36Å; V299-V618 HydrophobicContact CG1-CG1 3.67Å; V299-V618 HydrophobicContact CG2-CG1 3.81Å; A313-V618 HydrophobicContact CB-CG1 4.27Å; A313-V618 HydrophobicContact CB-CG2 3.94Å; D612-V618 HydrophobicContact CB-CB 4.29Å; D612-V618 HydrophobicContact CB-CG1 4.09Å; D612-V618 HydrophobicContact CB-CG2 4.37Å; V618-H620 PolarHBondContact O-CD2 2.85Å
619K79.7Confident75.4Confident126 Ų12655.5 Ų55.555%0.54828%0.279SS..EExtended strand (participates in β ladder)trans-85.9127.6172.2-63.5171.7-174.5167.10108.8K300 V617K300-K619 HydrophobicContact CB-CB 4.26Å; K300-K619 PolarHBondContact N-O 2.89Å; V617-K619 PolarHBondContact O-N 3.29Å
620H78.8Confident75.7Confident35 Ų3555.6 Ų55.616%0.16228%0.28CS..EExtended strand (participates in β ladder)trans-93.4146.7176.9-64.1-94.5000110.4N610 D612 V618 F627N610-H620 PolarHBondContact ND2-CE1 3.32Å; N610-H620 PolarHBondContact ND2-ND1 3.15Å; D612-H620 PolarHBondContact O-NE2 3.16Å; V618-H620 PolarHBondContact O-CD2 2.85Å; H620-F627 HydrophobicContact CB-CD2 3.94Å; H620-F627 HydrophobicContact CB-CE2 3.86Å; H620-F627 HydrophobicContact CB-CG 4.42Å; H620-F627 HydrophobicContact CB-CZ 4.26Å; H620-F627 AromaticContact CD2-CE2 3.35Å; H620-F627 WeakPolarHBondContact CD2-CE2 3.26Å; H620-F627 AromaticContact CD2-CZ 3.64Å; H620-F627 AromaticContact CG-CD2 3.87Å; H620-F627 AromaticContact CG-CE2 3.44Å; H620-F627 VanDerWaalsContact CG-CE2 3.44Å; H620-F627 AromaticContact ND1-CE2 3.99Å; H620-F627 AromaticContact NE2-CE2 3.85Å
621A72.8Confident76.1Confident22 Ų2258.4 Ų58.418%0.18229%0.292CS..  trans-105.2100.3171.900000109.2R298 K300 V306R298-A621 HydrophobicContact CB-CB 4.15Å; R298-A621 WeakPolarHBondContact CB-O 3.45Å; R298-A621 PolarHBondContact O-N 3.38Å; K300-A621 HydrophobicContact CB-CB 4.28Å; V306-A621 HydrophobicContact CB-CB 4.44Å; V306-A621 HydrophobicContact CG1-CB 3.88Å; V306-A621 HydrophobicContact CG2-CB 3.68Å
622S64Low76.5Confident71 Ų7160.6 Ų60.650%0.49731%0.312SS..  trans-87127.9-177.353.10000112.5
623E62.9Low76.8Confident110 Ų11061.5 Ų61.551%0.51432%0.317SS..SBendtrans-71.5154.9145.7-66.8179.8-175.400108.5R298 G625 E626R298-E623 IonicContact CZ-OE1 2.73Å; R298-E623 IonicContact NH1-OE1 3.18Å; R298-E623 PolarHBondContact NH1-OE1 3.02Å; R298-E623 IonicContact NH2-OE1 3.8Å; R298-E623 PolarHBondContact NH2-OE1 2.96Å; E623-G625 PolarHBondContact O-N 3.41Å; E623-E626 PolarHBondContact O-N 3.3Å; E623-E626 VanDerWaalsContact O-N 3.08Å
624E61.5Low77.2Confident198 Ų19861.3 Ų61.393%0.92532%0.315SS*.THydrogen-bonded Turntrans-53.7109.5-164.7-69.8-169.3154.200113.8
625G71.5Confident77.7Confident27 Ų2760.8 Ų60.828%0.27832%0.315SS..THydrogen-bonded Turntrans82.72.1175.500000116.3E623 E628 R629E623-G625 PolarHBondContact O-N 3.41Å; G625-E628 VanDerWaalsContact CA-OE2 3.3Å; G625-E628 WeakPolarHBondContact CA-OE2 3.31Å; G625-R629 VanDerWaalsContact O-CG 3.3Å; G625-R629 WeakPolarHBondContact O-CG 3.15Å; G625-R629 PolarHBondContact O-N 3.33Å
626E72.8Confident78.2Confident57 Ų5764.2 Ų64.227%0.26633%0.33SS..Hα-helixtrans-65.8-47.7-179.8-165.8-161158.700111.8E623 E628 R629 Q630E623-E626 PolarHBondContact O-N 3.3Å; E623-E626 VanDerWaalsContact O-N 3.08Å; E626-E628 VanDerWaalsContact C-N 3.31Å; E626-E628 PolarHBondContact O-N 2.91Å; E626-R629 WeakPolarHBondContact O-CB 3.07Å; E626-R629 PolarHBondContact O-N 2.88Å; E626-Q630 WeakPolarHBondContact O-CG 3.34Å; E626-Q630 PolarHBondContact O-N 3.3Å; E626-Q630 PolarHBondContact OE1-NE2 3.31Å
627F78.2Confident78.9Confident36 Ų3660.8 Ų60.816%0.15831%0.307CS..Hα-helixtrans-64.7-36-179-178.8-126.5000112.1H620 Q630 K631H620-F627 HydrophobicContact CB-CD2 3.94Å; H620-F627 HydrophobicContact CB-CE2 3.86Å; H620-F627 HydrophobicContact CB-CG 4.42Å; H620-F627 HydrophobicContact CB-CZ 4.26Å; H620-F627 AromaticContact CD2-CE2 3.35Å; H620-F627 WeakPolarHBondContact CD2-CE2 3.26Å; H620-F627 AromaticContact CD2-CZ 3.64Å; H620-F627 AromaticContact CG-CD2 3.87Å; H620-F627 AromaticContact CG-CE2 3.44Å; H620-F627 VanDerWaalsContact CG-CE2 3.44Å; H620-F627 AromaticContact ND1-CE2 3.99Å; H620-F627 AromaticContact NE2-CE2 3.85Å; F627-Q630 PolarHBondContact O-N 3.05Å; F627-K631 HydrophobicContact CD1-CD 4.48Å; F627-K631 HydrophobicContact CE1-CD 4.15Å; F627-K631 HydrophobicContact CZ-CD 4.2Å; F627-K631 VanDerWaalsContact CZ-NZ 3.3Å; F627-K631 PolarHBondContact O-N 3.36Å
628E81.4Confident79.7Confident104 Ų10458.5 Ų58.549%0.48629%0.293SS..Hα-helixtrans-64.4-40.4174.6-70.961.2-136.400111.3G625 E626 A632G625-E628 VanDerWaalsContact CA-OE2 3.3Å; G625-E628 WeakPolarHBondContact CA-OE2 3.31Å; E626-E628 VanDerWaalsContact C-N 3.31Å; E626-E628 PolarHBondContact O-N 2.91Å; E628-A632 WeakPolarHBondContact O-CB 3.46Å; E628-A632 PolarHBondContact O-N 3.43Å
629R79.8Confident80.4Confident169 Ų16959.3 Ų59.364%0.63830%0.298SS*.Hα-helixtrans-63.9-44.7173.4-67.2170.5-154.2-176.28.7111.5G625 E626 K631 A632 L633G625-R629 VanDerWaalsContact O-CG 3.3Å; G625-R629 WeakPolarHBondContact O-CG 3.15Å; G625-R629 PolarHBondContact O-N 3.33Å; E626-R629 WeakPolarHBondContact O-CB 3.07Å; E626-R629 PolarHBondContact O-N 2.88Å; R629-K631 PolarHBondContact O-N 2.97Å; R629-A632 PolarHBondContact O-N 2.98Å; R629-L633 PolarHBondContact O-N 2.96Å
630Q79.8Confident81Confident26 Ų2654 Ų5412%0.12128%0.275CS..Hα-helixtrans-60.9-44.6178-66.7171.77.700111.4N610 E626 F627 L633 H634N610-Q630 HydrophobicContact CB-CB 4.33Å; N610-Q630 HydrophobicContact CB-CG 4.47Å; N610-Q630 VanDerWaalsContact CB-OE1 3.32Å; N610-Q630 PolarHBondContact ND2-OE1 2.92Å; E626-Q630 WeakPolarHBondContact O-CG 3.34Å; E626-Q630 PolarHBondContact O-N 3.3Å; E626-Q630 PolarHBondContact OE1-NE2 3.31Å; F627-Q630 PolarHBondContact O-N 3.05Å; Q630-L633 PolarHBondContact O-N 2.82Å; Q630-H634 PolarHBondContact O-CD2 3.37Å; Q630-H634 VanDerWaalsContact O-CD2 3.3Å; Q630-H634 PolarHBondContact O-N 3.28Å
631K85.7Confident81.6Confident60 Ų6052.4 Ų52.426%0.26127%0.267SS..Hα-helixtrans-62.1-43.3172.2-80.2179.4169.51710112.6C613 Y614 F627 R629 L633 H634 V635C613-K631 HydrophobicContact CB-CG 4.25Å; C613-K631 WeakPolarHBondContact O-CE 3.36Å; Y614-K631 HydrophobicContact CE2-CG 4.5Å; F627-K631 HydrophobicContact CD1-CD 4.48Å; F627-K631 HydrophobicContact CE1-CD 4.15Å; F627-K631 HydrophobicContact CZ-CD 4.2Å; F627-K631 VanDerWaalsContact CZ-NZ 3.3Å; F627-K631 PolarHBondContact O-N 3.36Å; R629-K631 PolarHBondContact O-N 2.97Å; K631-L633 PolarHBondContact O-N 3.38Å; K631-H634 WeakPolarHBondContact O-CB 3.25Å; K631-H634 PolarHBondContact O-N 3.22Å; K631-H634 VanDerWaalsContact O-N 3.13Å; K631-V635 WeakPolarHBondContact O-CG2 3.37Å; K631-V635 PolarHBondContact O-N 3.49Å; K631-V635 VanDerWaalsContact O-N 3.09Å
632A87.5Confident82.5Confident57 Ų5751.5 Ų51.547%0.47126%0.259SS..Hα-helixtrans-60-34.9177.900000112.2E628 R629 V635 E636E628-A632 WeakPolarHBondContact O-CB 3.46Å; E628-A632 PolarHBondContact O-N 3.43Å; R629-A632 PolarHBondContact O-N 2.98Å; A632-V635 PolarHBondContact O-N 3.14Å; A632-E636 PolarHBondContact O-N 3.11Å
633L85.8Confident83.6Confident20 Ų2051.2 Ų51.211%0.10525%0.254CS..Hα-helixtrans-66.3-38.5175-173.169.2000112.8F374 L607 R608 F609 R629 Q630 K631 V635 E636 L637F374-L633 HydrophobicContact CE1-CD1 4.09Å; F374-L633 HydrophobicContact CZ-CD1 4.27Å; L607-L633 HydrophobicContact CD2-CD1 3.86Å; R608-L633 WeakPolarHBondContact O-CD2 3.22Å; F609-L633 HydrophobicContact CD1-CD2 4.07Å; F609-L633 HydrophobicContact CD1-CG 4.17Å; F609-L633 HydrophobicContact CE1-CD2 3.91Å; F609-L633 HydrophobicContact CE1-CG 3.66Å; F609-L633 HydrophobicContact CE2-CD2 4.42Å; F609-L633 HydrophobicContact CG-CD2 4.4Å; F609-L633 HydrophobicContact CZ-CD2 4.08Å; F609-L633 HydrophobicContact CZ-CG 4.01Å; R629-L633 PolarHBondContact O-N 2.96Å; Q630-L633 PolarHBondContact O-N 2.82Å; K631-L633 PolarHBondContact O-N 3.38Å; L633-V635 VanDerWaalsContact C-N 3.34Å; L633-E636 PolarHBondContact O-N 3.34Å; L633-L637 WeakPolarHBondContact O-CB 3.45Å; L633-L637 PolarHBondContact O-N 2.68Å
634H88.6Confident84.7Confident0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-62.9-41.3172.4-79.4-126.1000111.7S336 F609 N610 Y614 Q630 K631 L637 A638S336-H634 PolarHBondContact O-ND1 3.34Å; S336-H634 VanDerWaalsContact O-ND1 3.12Å; F609-H634 AromaticContact CD1-CD2 3.7Å; F609-H634 AromaticContact CD1-NE2 3.88Å; N610-H634 PolarHBondContact O-CE1 3.4Å; N610-H634 VanDerWaalsContact O-CE1 3.29Å; N610-H634 PolarHBondContact O-NE2 2.87Å; N610-H634 VanDerWaalsContact O-NE2 3.15Å; Y614-H634 HydrophobicContact CE2-CB 3.87Å; Y614-H634 AromaticContact CE2-ND1 3.95Å; Q630-H634 PolarHBondContact O-CD2 3.37Å; Q630-H634 VanDerWaalsContact O-CD2 3.3Å; Q630-H634 PolarHBondContact O-N 3.28Å; K631-H634 WeakPolarHBondContact O-CB 3.25Å; K631-H634 PolarHBondContact O-N 3.22Å; K631-H634 VanDerWaalsContact O-N 3.13Å; H634-L637 PolarHBondContact O-N 2.9Å; H634-A638 WeakPolarHBondContact O-CB 3.43Å; H634-A638 PolarHBondContact O-N 3.27Å
635V91.7Very high85.9Confident17 Ų1738.6 Ų38.610%0.10320%0.199CC..Hα-helixtrans-64.4-44.6175.8179.20000110.6P338 T345 K631 A632 L633 L637 A638 D639P338-V635 HydrophobicContact CB-CG2 4.43Å; P338-V635 HydrophobicContact CG-CG2 4.23Å; T345-V635 WeakPolarHBondContact O-CG2 3.43Å; K631-V635 WeakPolarHBondContact O-CG2 3.37Å; K631-V635 PolarHBondContact O-N 3.49Å; K631-V635 VanDerWaalsContact O-N 3.09Å; A632-V635 PolarHBondContact O-N 3.14Å; L633-V635 VanDerWaalsContact C-N 3.34Å; V635-L637 PolarHBondContact O-N 3.16Å; V635-A638 PolarHBondContact O-N 3.4Å; V635-D639 WeakPolarHBondContact O-CB 3.47Å; V635-D639 PolarHBondContact O-N 3.09Å
636E91.1Very high86.6Confident84 Ų8437.5 Ų37.539%0.39319%0.187SC..Hα-helixtrans-64-38.6178-167.2-176.4-160.800112.8F374 K378 A632 L633 A638 D639 F640F374-E636 HydrophobicContact CE2-CG 4.16Å; F374-E636 HydrophobicContact CZ-CB 4.46Å; F374-E636 HydrophobicContact CZ-CG 4.15Å; K378-E636 WeakPolarHBondContact CE-OE1 3.44Å; K378-E636 WeakPolarHBondContact CE-OE2 3.41Å; K378-E636 IonicContact NZ-OE1 2.71Å; K378-E636 PolarHBondContact NZ-OE1 3.3Å; K378-E636 IonicContact NZ-OE2 3.87Å; K378-E636 PolarHBondContact NZ-OE2 3.18Å; A632-E636 PolarHBondContact O-N 3.11Å; L633-E636 PolarHBondContact O-N 3.34Å; E636-A638 VanDerWaalsContact C-N 3.34Å; E636-D639 PolarHBondContact O-N 2.97Å; E636-F640 VanDerWaalsContact O-CB 3.3Å; E636-F640 WeakPolarHBondContact O-CB 3.35Å; E636-F640 PolarHBondContact O-N 3.48Å
637L89.2Confident87Confident0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-64.4-39.2173.9179.467.5000111.7P335 L366 L370 I371 F374 F609 L633 H634 V635 F640 L641P335-L637 HydrophobicContact CB-CD2 4.42Å; P335-L637 HydrophobicContact CG-CD2 4.27Å; L366-L637 HydrophobicContact CB-CD2 4.2Å; L366-L637 HydrophobicContact CD1-CB 4.27Å; L366-L637 HydrophobicContact CD1-CD2 3.52Å; L366-L637 HydrophobicContact CD1-CG 3.82Å; L366-L637 HydrophobicContact CG-CD2 4.47Å; L370-L637 HydrophobicContact CD2-CD1 4.45Å; L370-L637 HydrophobicContact CD2-CG 4.4Å; L370-L637 HydrophobicContact CG-CD1 4.02Å; L370-L637 HydrophobicContact CG-CG 4.49Å; I371-L637 HydrophobicContact CG1-CD2 3.87Å; F374-L637 HydrophobicContact CB-CD1 3.4Å; F374-L637 VanDerWaalsContact CB-CD1 3.4Å; F374-L637 HydrophobicContact CD1-CD1 3.65Å; F374-L637 HydrophobicContact CD2-CD1 3.99Å; F374-L637 HydrophobicContact CE1-CD1 4.31Å; F374-L637 HydrophobicContact CG-CD1 3.43Å; F374-L637 VanDerWaalsContact CG-CD1 3.43Å; F609-L637 HydrophobicContact CD1-CD2 4.17Å; F609-L637 HydrophobicContact CE1-CB 3.74Å; F609-L637 HydrophobicContact CE1-CD2 3.46Å; F609-L637 VanDerWaalsContact CE1-CD2 3.46Å; F609-L637 HydrophobicContact CE1-CG 4.14Å; F609-L637 HydrophobicContact CE2-CD2 4.37Å; F609-L637 HydrophobicContact CZ-CB 4.05Å; F609-L637 HydrophobicContact CZ-CD1 4.3Å; F609-L637 HydrophobicContact CZ-CD2 3.6Å; F609-L637 HydrophobicContact CZ-CG 4.19Å; L633-L637 WeakPolarHBondContact O-CB 3.45Å; L633-L637 PolarHBondContact O-N 2.68Å; H634-L637 PolarHBondContact O-N 2.9Å; V635-L637 PolarHBondContact O-N 3.16Å; L637-F640 PolarHBondContact O-N 3.24Å; L637-L641 PolarHBondContact O-N 2.88Å
638A92.6Very high86.9Confident0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-70-42.5176.300000111.5P338 H339 L366 H634 V635 E636 F640 L641 L642P338-A638 HydrophobicContact CG-CB 3.66Å; H339-A638 VanDerWaalsContact CE1-C 3.49Å; H339-A638 PolarHBondContact CE1-O 2.76Å; H339-A638 VanDerWaalsContact CE1-O 3.3Å; L366-A638 HydrophobicContact CD1-CB 4.39Å; H634-A638 WeakPolarHBondContact O-CB 3.43Å; H634-A638 PolarHBondContact O-N 3.27Å; V635-A638 PolarHBondContact O-N 3.4Å; E636-A638 VanDerWaalsContact C-N 3.34Å; A638-F640 VanDerWaalsContact C-N 3.3Å; A638-F640 PolarHBondContact O-N 3.09Å; A638-L641 VanDerWaalsContact O-CB 3.26Å; A638-L641 WeakPolarHBondContact O-CB 3.43Å; A638-L641 PolarHBondContact O-N 3.26Å; A638-L641 VanDerWaalsContact O-N 3.08Å; A638-L642 PolarHBondContact O-N 3.42Å
639D93Very high86.5Confident27 Ų2734.6 Ų34.614%0.14418%0.177CC..Hα-helixtrans-62.1-38173.6-75.3-35.3000111.5S347 V635 E636 L641 L642 T643S347-D639 VanDerWaalsContact CB-OD1 3.28Å; S347-D639 WeakPolarHBondContact CB-OD1 3.24Å; S347-D639 VanDerWaalsContact CB-OD2 3.25Å; S347-D639 WeakPolarHBondContact CB-OD2 3.32Å; S347-D639 VanDerWaalsContact OG-CG 3.28Å; S347-D639 PolarHBondContact OG-OD1 3.33Å; S347-D639 PolarHBondContact OG-OD2 3.29Å; V635-D639 WeakPolarHBondContact O-CB 3.47Å; V635-D639 PolarHBondContact O-N 3.09Å; E636-D639 PolarHBondContact O-N 2.97Å; D639-L641 PolarHBondContact O-N 3.47Å; D639-L642 PolarHBondContact O-N 2.98Å; D639-L642 VanDerWaalsContact O-N 3.12Å; D639-T643 WeakPolarHBondContact O-CB 3.37Å; D639-T643 WeakPolarHBondContact O-CG2 3.44Å; D639-T643 PolarHBondContact O-N 2.87Å; D639-T643 PolarHBondContact O-OG1 3.32Å
640F91.9Very high86.1Confident15 Ų1527.4 Ų27.47%0.06615%0.152CC..Hα-helixtrans-60.9-33173.6175.9-109.2000112.3L370 F374 C377 E636 L637 A638 S644 Q645L370-F640 HydrophobicContact CD1-CD1 3.81Å; L370-F640 HydrophobicContact CD1-CE1 4.13Å; F374-F640 HydrophobicContact CB-CD1 3.75Å; F374-F640 HydrophobicContact CB-CE1 3.63Å; F374-F640 HydrophobicContact CB-CZ 4.41Å; F374-F640 HydrophobicContact CD2-CB 3.79Å; F374-F640 AromaticContact CD2-CD1 3.6Å; F374-F640 HydrophobicContact CD2-CD1 3.6Å; F374-F640 HydrophobicContact CD2-CD2 4.11Å; F374-F640 HydrophobicContact CD2-CE1 4.09Å; F374-F640 AromaticContact CD2-CG 3.59Å; F374-F640 HydrophobicContact CD2-CG 3.59Å; F374-F640 HydrophobicContact CE2-CB 4.05Å; F374-F640 HydrophobicContact CE2-CG 4.28Å; F374-F640 HydrophobicContact CG-CD1 4.14Å; F374-F640 HydrophobicContact CG-CE1 4.38Å; C377-F640 HydrophobicContact CB-CE2 3.81Å; C377-F640 HydrophobicContact CB-CZ 3.73Å; E636-F640 VanDerWaalsContact O-CB 3.3Å; E636-F640 WeakPolarHBondContact O-CB 3.35Å; E636-F640 PolarHBondContact O-N 3.48Å; L637-F640 PolarHBondContact O-N 3.24Å; A638-F640 VanDerWaalsContact C-N 3.3Å; A638-F640 PolarHBondContact O-N 3.09Å; F640-S644 VanDerWaalsContact CD2-CB 3.44Å; F640-S644 CarbonylContact O-C 3.57Å; F640-S644 WeakPolarHBondContact O-CA 3.47Å; F640-S644 VanDerWaalsContact O-CB 3.3Å; F640-S644 WeakPolarHBondContact O-CB 3.45Å; F640-S644 PolarHBondContact O-N 3.22Å; F640-Q645 HydrophobicContact CD1-CG 3.92Å; F640-Q645 HydrophobicContact CE1-CG 3.6Å; F640-Q645 HydrophobicContact CZ-CG 4.09Å; F640-Q645 PolarHBondContact O-N 3.25Å
641L91.7Very high85.3Confident1 Ų130.8 Ų30.81%0.00517%0.17CC..Iπ-helixtrans-63.2-44.8171.8179.662.7000111.6L366 L370 L637 A638 D639 Q645 I646 I684 Y688L366-L641 HydrophobicContact CD2-CD2 4.46Å; L370-L641 HydrophobicContact CD1-CB 4.12Å; L370-L641 HydrophobicContact CD1-CD1 4.11Å; L370-L641 HydrophobicContact CD2-CB 3.94Å; L370-L641 HydrophobicContact CD2-CD1 4.24Å; L370-L641 HydrophobicContact CD2-CD2 4.12Å; L370-L641 HydrophobicContact CD2-CG 4.33Å; L637-L641 PolarHBondContact O-N 2.88Å; A638-L641 VanDerWaalsContact O-CB 3.26Å; A638-L641 WeakPolarHBondContact O-CB 3.43Å; A638-L641 PolarHBondContact O-N 3.26Å; A638-L641 VanDerWaalsContact O-N 3.08Å; D639-L641 PolarHBondContact O-N 3.47Å; L641-Q645 HydrophobicContact CD1-CB 4.07Å; L641-Q645 PolarHBondContact O-N 2.94Å; L641-I646 HydrophobicContact CD1-CD1 4.25Å; L641-I646 HydrophobicContact CD1-CG1 4.01Å; L641-I646 HydrophobicContact CG-CD1 4.12Å; L641-I646 HydrophobicContact CG-CG1 4.32Å; L641-I646 WeakPolarHBondContact O-CB 3.47Å; L641-I646 WeakPolarHBondContact O-CG1 3.26Å; L641-I646 PolarHBondContact O-N 2.65Å; L641-I684 HydrophobicContact CD1-CB 4.48Å; L641-I684 HydrophobicContact CD1-CG1 3.92Å; L641-Y688 HydrophobicContact CD2-CD1 4.38Å; L641-Y688 HydrophobicContact CD2-CD2 3.85Å; L641-Y688 HydrophobicContact CD2-CE1 3.95Å; L641-Y688 HydrophobicContact CD2-CE2 3.37Å; L641-Y688 HydrophobicContact CD2-CG 4.35Å; L641-Y688 VanDerWaalsContact CD2-CZ 3.42Å
642L91.1Very high83.9Confident2 Ų230 Ų301%0.0117%0.17CC..Iπ-helixtrans-78.9-36.9-178.1-65.6-176.7000114.4H339 F349 A350 C353 F355 A638 D639 I646 P647 Y688 F691H339-L642 WeakPolarHBondContact CE1-CD1 3.2Å; F349-L642 HydrophobicContact CD1-CB 4.27Å; F349-L642 HydrophobicContact CE1-CB 3.93Å; A350-L642 HydrophobicContact CB-CD1 4.07Å; C353-L642 HydrophobicContact CB-CD1 4.39Å; F355-L642 HydrophobicContact CD2-CD1 3.68Å; F355-L642 HydrophobicContact CD2-CD2 4.49Å; F355-L642 HydrophobicContact CE2-CD1 3.76Å; F355-L642 HydrophobicContact CE2-CD2 3.73Å; F355-L642 HydrophobicContact CE2-CG 4.41Å; F355-L642 HydrophobicContact CZ-CD2 4.25Å; A638-L642 PolarHBondContact O-N 3.42Å; D639-L642 PolarHBondContact O-N 2.98Å; D639-L642 VanDerWaalsContact O-N 3.12Å; L642-I646 HydrophobicContact CD2-CD1 4.23Å; L642-P647 WeakPolarHBondContact O-CD 3.1Å; L642-P647 WeakPolarHBondContact O-CG 3.3Å; L642-Y688 HydrophobicContact CD2-CD1 4.17Å; L642-Y688 HydrophobicContact CD2-CE1 3.88Å; L642-F691 HydrophobicContact CD2-CD1 4.34Å; L642-F691 HydrophobicContact CD2-CE1 3.91Å; L642-F691 HydrophobicContact CD2-CZ 4.2Å
643T88.8Confident82.4Confident65 Ų6527.5 Ų27.540%0.39915%0.149SC..Iπ-helixtrans-90.6-33.2-173.658.30000113F349 D639 P647F349-T643 HydrophobicContact CD1-CG2 3.49Å; F349-T643 VanDerWaalsContact CD1-CG2 3.49Å; F349-T643 HydrophobicContact CE1-CG2 3.65Å; F349-T643 HydrophobicContact CG-CG2 4.2Å; F349-T643 HydrophobicContact CZ-CG2 4.46Å; D639-T643 WeakPolarHBondContact O-CB 3.37Å; D639-T643 WeakPolarHBondContact O-CG2 3.44Å; D639-T643 PolarHBondContact O-N 2.87Å; D639-T643 PolarHBondContact O-OG1 3.32Å; T643-P647 WeakPolarHBondContact O-CG 3.31Å
644S85.8Confident80.6Confident30 Ų3027.8 Ų27.821%0.2115%0.15CC..Iπ-helixtrans-114.9-56.2-175.2-67.10000112F640 K648F640-S644 VanDerWaalsContact CD2-CB 3.44Å; F640-S644 CarbonylContact O-C 3.57Å; F640-S644 WeakPolarHBondContact O-CA 3.47Å; F640-S644 VanDerWaalsContact O-CB 3.3Å; F640-S644 WeakPolarHBondContact O-CB 3.45Å; F640-S644 PolarHBondContact O-N 3.22Å; S644-K648 WeakPolarHBondContact O-CA 3.4Å; S644-K648 WeakPolarHBondContact O-CB 3.36Å; S644-K648 WeakPolarHBondContact O-CD 3.34Å; S644-K648 WeakPolarHBondContact O-CG 3.41Å; S644-K648 PolarHBondContact O-N 2.91Å
645Q85.2Confident78.4Confident14 Ų1431.6 Ų31.67%0.06517%0.17CC..Iπ-helixtrans-75-48-168.7-66-65.2-6.500114.1L370 S373 F640 L641 K648 F649L370-Q645 HydrophobicContact CD1-CB 4.34Å; L370-Q645 HydrophobicContact CD1-CG 3.66Å; S373-Q645 VanDerWaalsContact CB-NE2 3.33Å; S373-Q645 PolarHBondContact OG-NE2 3.46Å; F640-Q645 HydrophobicContact CD1-CG 3.92Å; F640-Q645 HydrophobicContact CE1-CG 3.6Å; F640-Q645 HydrophobicContact CZ-CG 4.09Å; F640-Q645 PolarHBondContact O-N 3.25Å; L641-Q645 HydrophobicContact CD1-CB 4.07Å; L641-Q645 PolarHBondContact O-N 2.94Å; Q645-K648 PolarHBondContact O-N 3.34Å; Q645-F649 WeakPolarHBondContact O-CA 3.47Å; Q645-F649 WeakPolarHBondContact O-CB 3.29Å; Q645-F649 PolarHBondContact O-N 2.79Å
646I86.2Confident76.4Confident3 Ų331.3 Ų31.32%0.01517%0.168CC..Hα-helixtrans-65.6-41.6176.5-66173.8000111.2L641 L642 F649 V650 I684 Y688 F691 V692L641-I646 HydrophobicContact CD1-CD1 4.25Å; L641-I646 HydrophobicContact CD1-CG1 4.01Å; L641-I646 HydrophobicContact CG-CD1 4.12Å; L641-I646 HydrophobicContact CG-CG1 4.32Å; L641-I646 WeakPolarHBondContact O-CB 3.47Å; L641-I646 WeakPolarHBondContact O-CG1 3.26Å; L641-I646 PolarHBondContact O-N 2.65Å; L642-I646 HydrophobicContact CD2-CD1 4.23Å; I646-F649 WeakPolarHBondContact O-CB 3.39Å; I646-F649 PolarHBondContact O-N 3Å; I646-V650 HydrophobicContact CG2-CG2 4.35Å; I646-V650 WeakPolarHBondContact O-CB 3.43Å; I646-V650 WeakPolarHBondContact O-CG2 3.36Å; I646-V650 PolarHBondContact O-N 3.41Å; I646-I684 HydrophobicContact CD1-CG2 4.39Å; I646-I684 HydrophobicContact CG1-CD1 4.07Å; I646-I684 HydrophobicContact CG1-CG1 4.22Å; I646-I684 HydrophobicContact CG1-CG2 4.35Å; I646-Y688 HydrophobicContact CD1-CD1 3.98Å; I646-Y688 HydrophobicContact CD1-CG 4.23Å; I646-F691 HydrophobicContact CD1-CD1 4Å; I646-F691 HydrophobicContact CD1-CE1 4.21Å; I646-F691 HydrophobicContact CG2-CD1 4.29Å; I646-F691 HydrophobicContact CG2-CE1 4.07Å; I646-V692 HydrophobicContact CD1-CG2 4.32Å; I646-V692 HydrophobicContact CG2-CG2 4.16Å
647P83.1Confident74.1Confident57 Ų5728.3 Ų28.337%0.3716%0.156SC..Hα-helixtrans-64.8-43.4173.5-28.739.7000113.3L642 T643 F649 V650 L651L642-P647 WeakPolarHBondContact O-CD 3.1Å; L642-P647 WeakPolarHBondContact O-CG 3.3Å; T643-P647 WeakPolarHBondContact O-CG 3.31Å; P647-F649 VanDerWaalsContact C-N 3.32Å; P647-F649 PolarHBondContact O-N 3.13Å; P647-V650 PolarHBondContact O-N 2.7Å; P647-L651 WeakPolarHBondContact O-CB 3.37Å; P647-L651 PolarHBondContact O-N 3.24Å
648K75.4Confident71.7Confident75 Ų7532.8 Ų32.833%0.32618%0.176SC..Hα-helixtrans-59.6-44.3170.6-77.5171.6-174.8179.50110.5S644 Q645 V650 L651 V652S644-K648 WeakPolarHBondContact O-CA 3.4Å; S644-K648 WeakPolarHBondContact O-CB 3.36Å; S644-K648 WeakPolarHBondContact O-CD 3.34Å; S644-K648 WeakPolarHBondContact O-CG 3.41Å; S644-K648 PolarHBondContact O-N 2.91Å; Q645-K648 PolarHBondContact O-N 3.34Å; K648-V650 PolarHBondContact O-N 2.99Å; K648-L651 PolarHBondContact O-N 2.72Å; K648-V652 WeakPolarHBondContact O-CA 3.41Å; K648-V652 WeakPolarHBondContact O-CB 3.03Å; K648-V652 WeakPolarHBondContact O-CG2 3.46Å; K648-V652 PolarHBondContact O-N 3.47Å
649F73.4Confident69Low4 Ų435 Ų352%0.01819%0.189CC..Hα-helixtrans-60-49179.8179.3-94.3000111.9Q645 I646 P647 Y653 I678 L679 R682 I684 W705Q645-F649 WeakPolarHBondContact O-CA 3.47Å; Q645-F649 WeakPolarHBondContact O-CB 3.29Å; Q645-F649 PolarHBondContact O-N 2.79Å; I646-F649 WeakPolarHBondContact O-CB 3.39Å; I646-F649 PolarHBondContact O-N 3Å; P647-F649 VanDerWaalsContact C-N 3.32Å; P647-F649 PolarHBondContact O-N 3.13Å; F649-Y653 AromaticContact CD2-CD2 3.98Å; F649-Y653 HydrophobicContact CD2-CD2 3.98Å; F649-Y653 HydrophobicContact CD2-CE2 4.05Å; F649-Y653 HydrophobicContact CE1-CD2 4.35Å; F649-Y653 AromaticContact CE2-CD2 3.74Å; F649-Y653 HydrophobicContact CE2-CD2 3.74Å; F649-Y653 AromaticContact CE2-CE2 3.59Å; F649-Y653 HydrophobicContact CE2-CE2 3.59Å; F649-Y653 HydrophobicContact CG-CD2 4.4Å; F649-Y653 AromaticContact CZ-CD2 3.94Å; F649-Y653 HydrophobicContact CZ-CD2 3.94Å; F649-Y653 HydrophobicContact CZ-CE2 4.08Å; F649-Y653 WeakPolarHBondContact O-CB 3.31Å; F649-Y653 WeakPolarHBondContact O-CD2 3.42Å; F649-Y653 PolarHBondContact O-N 3.01Å; F649-I678 HydrophobicContact CE2-CG2 3.6Å; F649-I678 HydrophobicContact CZ-CG2 3.71Å; F649-L679 HydrophobicContact CD1-CD2 4.34Å; F649-L679 HydrophobicContact CE1-CD2 3.6Å; F649-L679 HydrophobicContact CE2-CD2 4.14Å; F649-L679 HydrophobicContact CZ-CD2 3.48Å; F649-L679 VanDerWaalsContact CZ-CD2 3.48Å; F649-L679 HydrophobicContact CZ-CG 4.16Å; F649-R682 HydrophobicContact CD2-CB 3.86Å; F649-R682 HydrophobicContact CD2-CG 3.84Å; F649-R682 HydrophobicContact CE2-CB 4.19Å; F649-R682 HydrophobicContact CE2-CG 4.01Å; F649-I684 HydrophobicContact CB-CD1 3.76Å; F649-I684 HydrophobicContact CD1-CD1 3.92Å; F649-I684 HydrophobicContact CD2-CD1 3.65Å; F649-I684 HydrophobicContact CE1-CD1 4.43Å; F649-I684 HydrophobicContact CE2-CD1 4.17Å; F649-I684 HydrophobicContact CG-CD1 3.5Å; F649-I684 VanDerWaalsContact CG-CD1 3.5Å; F649-W705 AromaticContact CE1-CH2 3.42Å; F649-W705 HydrophobicContact CE1-CH2 3.42Å; F649-W705 VanDerWaalsContact CE1-CH2 3.42Å; F649-W705 AromaticContact CE1-CZ2 3.6Å; F649-W705 HydrophobicContact CE1-CZ2 3.6Å; F649-W705 HydrophobicContact CE1-CZ3 4.14Å; F649-W705 AromaticContact CZ-CH2 3.34Å; F649-W705 HydrophobicContact CZ-CH2 3.34Å; F649-W705 AromaticContact CZ-CZ2 3.37Å; F649-W705 HydrophobicContact CZ-CZ2 3.37Å; F649-W705 HydrophobicContact CZ-CZ3 4.44Å
650V70.3Confident66.2Low19 Ų1938.5 Ų38.512%0.11521%0.205CC..Hα-helixtrans-64.5-47.7176.71710000110.3I646 P647 K648 Y653 I654 L696 L702I646-V650 HydrophobicContact CG2-CG2 4.35Å; I646-V650 WeakPolarHBondContact O-CB 3.43Å; I646-V650 WeakPolarHBondContact O-CG2 3.36Å; I646-V650 PolarHBondContact O-N 3.41Å; P647-V650 PolarHBondContact O-N 2.7Å; K648-V650 PolarHBondContact O-N 2.99Å; V650-Y653 PolarHBondContact O-N 2.88Å; V650-I654 HydrophobicContact CG1-CD1 3.65Å; V650-I654 WeakPolarHBondContact O-CB 3.38Å; V650-I654 WeakPolarHBondContact O-CD1 3.23Å; V650-I654 WeakPolarHBondContact O-CG1 3.48Å; V650-I654 PolarHBondContact O-N 3.35Å; V650-L696 HydrophobicContact CG1-CD2 4.39Å; V650-L696 HydrophobicContact CG2-CD2 4.19Å; V650-L702 HydrophobicContact CG1-CD1 4.35Å
651L62.8Low63.3Low96 Ų9639.5 Ų39.550%0.50321%0.211SC..Hα-helixtrans-63.9-47.1179.3-169.778.9000112.7P647 K648 I654 L655P647-L651 WeakPolarHBondContact O-CB 3.37Å; P647-L651 PolarHBondContact O-N 3.24Å; K648-L651 PolarHBondContact O-N 2.72Å; L651-I654 CarbonylContact O-C 3.48Å; L651-I654 WeakPolarHBondContact O-CB 3.26Å; L651-I654 PolarHBondContact O-N 3.29Å; L651-L655 HydrophobicContact CD2-CD1 4.46Å; L651-L655 HydrophobicContact CG-CD1 4.03Å; L651-L655 WeakPolarHBondContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CG 3.33Å; L651-L655 PolarHBondContact O-N 3.23Å
652V57.2Low60.5Low43 Ų4341 Ų4126%0.26122%0.221SC..Hα-helixtrans-65.7-39.3178171.90000109.6K648 L655 L656K648-V652 WeakPolarHBondContact O-CA 3.41Å; K648-V652 WeakPolarHBondContact O-CB 3.03Å; K648-V652 WeakPolarHBondContact O-CG2 3.46Å; K648-V652 PolarHBondContact O-N 3.47Å; V652-L655 CarbonylContact O-C 3.38Å; V652-L655 PolarHBondContact O-N 2.84Å; V652-L655 VanDerWaalsContact O-N 3.13Å; V652-L656 HydrophobicContact CG1-CD1 3.62Å; V652-L656 HydrophobicContact CG1-CG 3.96Å; V652-L656 WeakPolarHBondContact O-CB 3.43Å; V652-L656 WeakPolarHBondContact O-CG 3.37Å; V652-L656 PolarHBondContact O-N 3.17Å
653Y56.4Low57.6Low6 Ų643.4 Ų43.42%0.02424%0.241CC..Hα-helixtrans-73.9-26.4172.4-85.4-75.9000114.3F649 V650 L655 L656 C657 I678F649-Y653 AromaticContact CD2-CD2 3.98Å; F649-Y653 HydrophobicContact CD2-CD2 3.98Å; F649-Y653 HydrophobicContact CD2-CE2 4.05Å; F649-Y653 HydrophobicContact CE1-CD2 4.35Å; F649-Y653 AromaticContact CE2-CD2 3.74Å; F649-Y653 HydrophobicContact CE2-CD2 3.74Å; F649-Y653 AromaticContact CE2-CE2 3.59Å; F649-Y653 HydrophobicContact CE2-CE2 3.59Å; F649-Y653 HydrophobicContact CG-CD2 4.4Å; F649-Y653 AromaticContact CZ-CD2 3.94Å; F649-Y653 HydrophobicContact CZ-CD2 3.94Å; F649-Y653 HydrophobicContact CZ-CE2 4.08Å; F649-Y653 WeakPolarHBondContact O-CB 3.31Å; F649-Y653 WeakPolarHBondContact O-CD2 3.42Å; F649-Y653 PolarHBondContact O-N 3.01Å; V650-Y653 PolarHBondContact O-N 2.88Å; Y653-L655 PolarHBondContact O-N 2.9Å; Y653-L656 HydrophobicContact CD1-CB 4.06Å; Y653-L656 HydrophobicContact CD1-CD1 3.54Å; Y653-L656 HydrophobicContact CD1-CG 4.42Å; Y653-L656 HydrophobicContact CD2-CD1 4.08Å; Y653-L656 HydrophobicContact CE1-CB 4.42Å; Y653-L656 HydrophobicContact CE1-CD1 3.39Å; Y653-L656 HydrophobicContact CE2-CD1 3.94Å; Y653-L656 HydrophobicContact CG-CD1 3.88Å; Y653-C657 PolarHBondContact O-N 3.22Å; Y653-I678 HydrophobicContact CD2-CG2 4.44Å; Y653-I678 HydrophobicContact CE1-CG2 4.41Å; Y653-I678 HydrophobicContact CE2-CG2 3.52Å; Y653-I678 WeakPolarHBondContact OH-CG2 3.3Å
654I47.4Very low55Low25 Ų2545.2 Ų45.213%0.12825%0.245CC..Hα-helixtrans-63.5-32.1165.3-68.5156.2000111.2V650 L651 C657 F658 K699 L702V650-I654 HydrophobicContact CG1-CD1 3.65Å; V650-I654 WeakPolarHBondContact O-CB 3.38Å; V650-I654 WeakPolarHBondContact O-CD1 3.23Å; V650-I654 WeakPolarHBondContact O-CG1 3.48Å; V650-I654 PolarHBondContact O-N 3.35Å; L651-I654 CarbonylContact O-C 3.48Å; L651-I654 WeakPolarHBondContact O-CB 3.26Å; L651-I654 PolarHBondContact O-N 3.29Å; I654-C657 WeakPolarHBondContact O-CB 3.31Å; I654-F658 VanDerWaalsContact O-CD2 3.22Å; I654-F658 WeakPolarHBondContact O-CD2 3.4Å; I654-K699 HydrophobicContact CD1-CD 3.56Å; I654-K699 HydrophobicContact CG1-CD 4.33Å; I654-L702 HydrophobicContact CD1-CD1 3.8Å; I654-L702 HydrophobicContact CG1-CD1 3.44Å; I654-L702 VanDerWaalsContact CG1-CD1 3.44Å; I654-L702 HydrophobicContact CG1-CD2 3.82Å; I654-L702 HydrophobicContact CG1-CG 4.01Å
655L42.6Very low53.1Low81 Ų8148.4 Ų48.442%0.42426%0.256SS..Hα-helixtrans-93.5-20.6179-69.6164.7000114.1L651 V652 Y653 C657 F658 V659L651-L655 HydrophobicContact CD2-CD1 4.46Å; L651-L655 HydrophobicContact CG-CD1 4.03Å; L651-L655 WeakPolarHBondContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CG 3.33Å; L651-L655 PolarHBondContact O-N 3.23Å; V652-L655 CarbonylContact O-C 3.38Å; V652-L655 PolarHBondContact O-N 2.84Å; V652-L655 VanDerWaalsContact O-N 3.13Å; Y653-L655 PolarHBondContact O-N 2.9Å; L655-C657 VanDerWaalsContact C-N 3.31Å; L655-F658 CarbonylContact O-C 2.88Å; L655-F658 VanDerWaalsContact O-CA 3.27Å; L655-F658 WeakPolarHBondContact O-CA 3.07Å; L655-F658 WeakPolarHBondContact O-CB 3.36Å; L655-F658 PolarHBondContact O-N 2.77Å; L655-V659 PolarHBondContact O-N 2.81Å
656L49.5Very low51.5Low11 Ų1149.3 Ų49.36%0.05826%0.263CS..Hα-helixtrans-73.9-28.5171.1-75.8163.6000110.5V652 Y653 F658 E660 D661V652-L656 HydrophobicContact CG1-CD1 3.62Å; V652-L656 HydrophobicContact CG1-CG 3.96Å; V652-L656 WeakPolarHBondContact O-CB 3.43Å; V652-L656 WeakPolarHBondContact O-CG 3.37Å; V652-L656 PolarHBondContact O-N 3.17Å; Y653-L656 HydrophobicContact CD1-CB 4.06Å; Y653-L656 HydrophobicContact CD1-CD1 3.54Å; Y653-L656 HydrophobicContact CD1-CG 4.42Å; Y653-L656 HydrophobicContact CD2-CD1 4.08Å; Y653-L656 HydrophobicContact CE1-CB 4.42Å; Y653-L656 HydrophobicContact CE1-CD1 3.39Å; Y653-L656 HydrophobicContact CE2-CD1 3.94Å; Y653-L656 HydrophobicContact CG-CD1 3.88Å; L656-F658 PolarHBondContact O-N 2.83Å; L656-F658 VanDerWaalsContact O-N 3.13Å; L656-E660 HydrophobicContact CD2-CB 3.5Å; L656-E660 HydrophobicContact CG-CB 4.49Å; L656-D661 HydrophobicContact CD2-CB 4.06Å; L656-D661 VanDerWaalsContact CD2-N 3.26Å
657C43.1Very low50.3Low21 Ų2150.2 Ų50.214%0.14227%0.268CS..THydrogen-bonded Turntrans-52.1-24.5158.2-84.70000112.9Y653 I654 L655 Y704 F1059 K1065Y653-C657 PolarHBondContact O-N 3.22Å; I654-C657 WeakPolarHBondContact O-CB 3.31Å; L655-C657 VanDerWaalsContact C-N 3.31Å; C657-Y704 PolarHBondContact SG-OH 3.04Å; C657-Y704 VanDerWaalsContact SG-OH 3.33Å; C657-F1059 HydrophobicContact CB-CE1 3.89Å; C657-F1059 WeakPolarHBondContact O-CE1 3.42Å; C657-K1065 PolarHBondContact O-NZ 3.35Å
658F38.7Very low49.4Very low94 Ų9449 Ų4941%0.41226%0.26SS..THydrogen-bonded Turntrans-96.3-57.9179.5-72.5-123.1000112.9I654 L655 L656 H1063I654-F658 VanDerWaalsContact O-CD2 3.22Å; I654-F658 WeakPolarHBondContact O-CD2 3.4Å; L655-F658 CarbonylContact O-C 2.88Å; L655-F658 VanDerWaalsContact O-CA 3.27Å; L655-F658 WeakPolarHBondContact O-CA 3.07Å; L655-F658 WeakPolarHBondContact O-CB 3.36Å; L655-F658 PolarHBondContact O-N 2.77Å; L656-F658 PolarHBondContact O-N 2.83Å; L656-F658 VanDerWaalsContact O-N 3.13Å; F658-H1063 AromaticContact CD1-CD2 3.63Å; F658-H1063 AromaticContact CD1-NE2 3.2Å; F658-H1063 WeakPolarHBondContact CD1-NE2 3.46Å; F658-H1063 AromaticContact CD2-NE2 3.85Å; F658-H1063 AromaticContact CE1-CD2 3.28Å; F658-H1063 WeakPolarHBondContact CE1-CD2 3.48Å; F658-H1063 AromaticContact CE1-NE2 3.37Å; F658-H1063 WeakPolarHBondContact CE1-NE2 3.46Å; F658-H1063 AromaticContact CE2-NE2 3.97Å; F658-H1063 AromaticContact CG-NE2 3.46Å; F658-H1063 WeakPolarHBondContact CG-NE2 3.29Å; F658-H1063 AromaticContact CZ-CD2 3.62Å; F658-H1063 AromaticContact CZ-NE2 3.74Å
659V36.5Very low49.3Very low45 Ų4545.4 Ų45.427%0.27324%0.244SC..THydrogen-bonded Turntrans-137.7-38.2-165.7-179.80000118.3F499 L655F499-V659 HydrophobicContact CE1-CG1 4.22Å; F499-V659 HydrophobicContact CE1-CG2 4.31Å; L655-V659 PolarHBondContact O-N 2.81Å
660E34.2Very low49.4Very low101 Ų10145.6 Ų45.647%0.47225%0.245SC..  trans-99.5-0.2-147.9-65175.2153.300119.3L656 C662 A663L656-E660 HydrophobicContact CD2-CB 3.5Å; L656-E660 HydrophobicContact CG-CB 4.49Å; E660-C662 PolarHBondContact O-N 3.24Å; E660-A663 PolarHBondContact O-N 3.47Å
661D30.5Very low49.8Very low37 Ų3745.3 Ų45.320%0.19824%0.243CC..THydrogen-bonded Turntrans-70.415.6-173.1-117.5-11000114.6L656 T666L656-D661 HydrophobicContact CD2-CB 4.06Å; L656-D661 VanDerWaalsContact CD2-N 3.26Å; D661-T666 PolarHBondContact OD1-OG1 2.81Å
662C32.3Very low50.7Low33 Ų3341.5 Ų41.522%0.22322%0.224CC..THydrogen-bonded Turntrans-98.6-26174.1-63.80000113.2E660 W1168E660-C662 PolarHBondContact O-N 3.24Å; C662-W1168 HydrophobicContact CB-CB 3.56Å; C662-W1168 HydrophobicContact CB-CG 4.14Å
663A31.3Very low51.9Low52 Ų5244.2 Ų44.243%0.4323%0.234SC..SBendtrans-83.4-24.3-173.800000113.9E660E660-A663 PolarHBondContact O-N 3.47Å
664E34.4Very low53.1Low103 Ų10344.2 Ų44.248%0.48123%0.234SC..SBendtrans-117.3136.4164.3-67.9178.2-176.500106.2T666 R682E664-T666 HydrophobicContact CB-CG2 4.43Å; E664-T666 PolarHBondContact O-N 3.25Å; E664-T666 PolarHBondContact O-OG1 3.3Å; E664-R682 IonicContact OE2-CZ 3.97Å; E664-R682 IonicContact OE2-NE 3.23Å; E664-R682 IonicContact OE2-NH2 3.06Å; E664-R682 PolarHBondContact OE2-NH2 2.91Å
665H45.6Very low54.9Low96 Ų9643 Ų4344%0.44423%0.228SC..  trans-75.936.3-177.9-61.4-28.1000113.5Y898H665-Y898 PolarHBondContact CD2-OH 3.06Å
666T49.9Very low57Low33 Ų3340.2 Ų40.220%0.20222%0.215CC..PPolyproline II helixtrans-73.4133.2178.437.10000110.8D661 E664D661-T666 PolarHBondContact OD1-OG1 2.81Å; E664-T666 HydrophobicContact CB-CG2 4.43Å; E664-T666 PolarHBondContact O-N 3.25Å; E664-T666 PolarHBondContact O-OG1 3.3Å
667L61.6Low58.6Low22 Ų2242.7 Ų42.712%0.11523%0.226CC..PPolyproline II helixtrans-79.6146.8165.9-85.772000108.7F670 T674 I678 A975 Y976L667-F670 HydrophobicContact CB-CD2 4.33Å; L667-F670 HydrophobicContact CB-CE2 4.46Å; L667-F670 HydrophobicContact CD2-CD2 4.01Å; L667-F670 HydrophobicContact CD2-CE2 3.94Å; L667-F670 HydrophobicContact CG-CE2 4.4Å; L667-T674 HydrophobicContact CB-CG2 4.12Å; L667-I678 WeakPolarHBondContact O-CD1 3.41Å; L667-A975 HydrophobicContact CD2-CB 3.86Å; L667-Y976 HydrophobicContact CD1-CD1 3.7Å; L667-Y976 HydrophobicContact CD1-CE1 3.58Å; L667-Y976 HydrophobicContact CD2-CD1 4Å; L667-Y976 HydrophobicContact CD2-CE1 4.39Å; L667-Y976 HydrophobicContact CD2-CG 4.4Å
668P64.2Low60.4Low32 Ų3242 Ų4221%0.20822%0.22CC..PPolyproline II helixtrans-57.5161.8162.124-32.9000111.3F670 T674 E1018P668-F670 VanDerWaalsContact C-N 3.32Å; P668-F670 HydrophobicContact CG-CD2 4.41Å; P668-F670 HydrophobicContact CG-CE2 3.99Å; P668-F670 WeakPolarHBondContact O-CD2 3.49Å; P668-F670 PolarHBondContact O-N 2.98Å; P668-T674 WeakPolarHBondContact O-CG2 3.35Å; P668-E1018 WeakPolarHBondContact CB-OE2 3.36Å; P668-E1018 HydrophobicContact CG-CG 4.17Å; P668-E1018 WeakPolarHBondContact CG-OE2 3.31Å
669P72.9Confident62.7Low0 Ų037.5 Ų37.50%020%0.201CC..  trans-73.381.6-175.632.9-39.8000112.4V675 I678 Y704 W705 H708P669-V675 HydrophobicContact CB-CG2 3.52Å; P669-I678 HydrophobicContact CB-CD1 4.03Å; P669-Y704 HydrophobicContact CG-CE2 3.89Å; P669-W705 HydrophobicContact CG-CD2 4.34Å; P669-W705 HydrophobicContact CG-CG 4.11Å; P669-H708 PolarHBondContact O-CD2 3.15Å; P669-H708 PolarHBondContact O-NE2 2.98Å
670F75.2Confident65.1Low8 Ų837.8 Ų37.84%0.03520%0.199CC..  trans-61.6-42.6172.8-84.7-90.4000112.4L667 P668 H708 A975 I978 V1008 N1012 E1018L667-F670 HydrophobicContact CB-CD2 4.33Å; L667-F670 HydrophobicContact CB-CE2 4.46Å; L667-F670 HydrophobicContact CD2-CD2 4.01Å; L667-F670 HydrophobicContact CD2-CE2 3.94Å; L667-F670 HydrophobicContact CG-CE2 4.4Å; P668-F670 VanDerWaalsContact C-N 3.32Å; P668-F670 HydrophobicContact CG-CD2 4.41Å; P668-F670 HydrophobicContact CG-CE2 3.99Å; P668-F670 WeakPolarHBondContact O-CD2 3.49Å; P668-F670 PolarHBondContact O-N 2.98Å; F670-H708 PolarHBondContact O-CE1 2.71Å; F670-H708 PolarHBondContact O-NE2 2.82Å; F670-A975 HydrophobicContact CB-CB 3.41Å; F670-A975 VanDerWaalsContact CB-CB 3.41Å; F670-A975 HydrophobicContact CD1-CB 4.33Å; F670-A975 HydrophobicContact CD2-CB 3.68Å; F670-A975 HydrophobicContact CG-CB 3.55Å; F670-I978 HydrophobicContact CD1-CD1 4.19Å; F670-I978 HydrophobicContact CE1-CB 4.17Å; F670-I978 HydrophobicContact CE1-CD1 4.33Å; F670-I978 HydrophobicContact CE1-CG2 3.7Å; F670-I978 HydrophobicContact CZ-CG2 4.22Å; F670-V1008 HydrophobicContact CD1-CG2 4.39Å; F670-V1008 HydrophobicContact CE1-CG2 3.9Å; F670-N1012 PolarHBondContact O-ND2 3.42Å; F670-N1012 PolarHBondContact O-OD1 3.09Å; F670-E1018 VanDerWaalsContact CD1-CD 3.43Å; F670-E1018 WeakPolarHBondContact CD1-OE1 3.19Å; F670-E1018 VanDerWaalsContact CD2-OE2 3.25Å; F670-E1018 WeakPolarHBondContact CD2-OE2 3.33Å; F670-E1018 HydrophobicContact CE1-CB 4.06Å; F670-E1018 HydrophobicContact CE1-CG 3.99Å; F670-E1018 WeakPolarHBondContact CE1-OE1 3.46Å; F670-E1018 HydrophobicContact CE2-CG 4.25Å; F670-E1018 WeakPolarHBondContact CE2-OE2 3.21Å; F670-E1018 WeakPolarHBondContact CG-OE1 3.5Å; F670-E1018 WeakPolarHBondContact CG-OE2 3.36Å; F670-E1018 HydrophobicContact CZ-CB 4.26Å; F670-E1018 VanDerWaalsContact CZ-CD 3.47Å; F670-E1018 HydrophobicContact CZ-CG 3.86Å; F670-E1018 PolarHBondContact N-OE2 3.06Å
671D79.4Confident67.2Low12 Ų1235.9 Ų35.96%0.06420%0.197CC..SBendtrans-148.7-176.8-178.678.511.2000113.9H673 T674 V675 R847D671-H673 PolarHBondContact O-N 2.95Å; D671-H673 VanDerWaalsContact OD1-CA 3.31Å; D671-H673 WeakPolarHBondContact OD1-CA 3.22Å; D671-H673 WeakPolarHBondContact OD1-CB 3.5Å; D671-H673 PolarHBondContact OD1-N 3.48Å; D671-T674 PolarHBondContact O-N 2.91Å; D671-T674 PolarHBondContact OD1-N 3.16Å; D671-T674 PolarHBondContact OD1-OG1 3.15Å; D671-V675 PolarHBondContact O-N 2.83Å; D671-R847 IonicContact OD2-CZ 3.28Å; D671-R847 VanDerWaalsContact OD2-CZ 3.24Å; D671-R847 IonicContact OD2-NH1 3.92Å; D671-R847 PolarHBondContact OD2-NH1 3.34Å; D671-R847 IonicContact OD2-NH2 2.69Å; D671-R847 PolarHBondContact OD2-NH2 3.1Å
672S81.6Confident69.6Low17 Ų1736.4 Ų36.412%0.11920%0.196CC..Hα-helixtrans-61.6-22.7178.552.10000115T676 S848S672-T676 PolarHBondContact O-N 3.21Å; S672-T676 PolarHBondContact O-OG1 3.28Å; S672-S848 PolarHBondContact OG-OG 2.98Å
673H83.3Confident72Confident100 Ų10034.9 Ų34.946%0.46319%0.186SC..Hα-helixtrans-75.9-50.4173.3-169-83.3000109.6D671 V675 T676 E677D671-H673 PolarHBondContact O-N 2.95Å; D671-H673 VanDerWaalsContact OD1-CA 3.31Å; D671-H673 WeakPolarHBondContact OD1-CA 3.22Å; D671-H673 WeakPolarHBondContact OD1-CB 3.5Å; D671-H673 PolarHBondContact OD1-N 3.48Å; H673-V675 VanDerWaalsContact C-N 3.32Å; H673-V675 PolarHBondContact O-N 3.27Å; H673-T676 WeakPolarHBondContact O-CA 3.47Å; H673-T676 WeakPolarHBondContact O-CB 3.49Å; H673-T676 PolarHBondContact O-N 3.4Å; H673-E677 IonicContact CE1-OE1 2.77Å; H673-E677 PolarHBondContact CE1-OE1 3.31Å; H673-E677 IonicContact CE1-OE2 3.66Å; H673-E677 PolarHBondContact CE1-OE2 3.37Å; H673-E677 IonicContact CG-OE2 2.67Å; H673-E677 IonicContact ND1-OE1 3.95Å; H673-E677 IonicContact ND1-OE2 2.65Å; H673-E677 PolarHBondContact ND1-OE2 2.93Å; H673-E677 PolarHBondContact O-N 3.04Å
674T81.4Confident74.8Confident5 Ų532.4 Ų32.43%0.03117%0.166CC..Hα-helixtrans-61.5-40.1-179.9-35.70000111.5L667 P668 D671 T676 E677 I678L667-T674 HydrophobicContact CB-CG2 4.12Å; P668-T674 WeakPolarHBondContact O-CG2 3.35Å; D671-T674 PolarHBondContact O-N 2.91Å; D671-T674 PolarHBondContact OD1-N 3.16Å; D671-T674 PolarHBondContact OD1-OG1 3.15Å; T674-T676 PolarHBondContact O-N 3.49Å; T674-E677 PolarHBondContact O-N 3.36Å; T674-I678 HydrophobicContact CG2-CD1 3.96Å; T674-I678 HydrophobicContact CG2-CG1 4.38Å; T674-I678 WeakPolarHBondContact O-CB 3.25Å; T674-I678 WeakPolarHBondContact O-CD1 3.5Å; T674-I678 WeakPolarHBondContact O-CG1 3.21Å; T674-I678 PolarHBondContact O-N 3.12Å
675V84.5Confident77.4Confident0 Ų028.2 Ų28.20%015%0.15CC..Hα-helixtrans-56.5-38.2170.3168.80000112.4P669 D671 H673 L679 L689 W705 H708P669-V675 HydrophobicContact CB-CG2 3.52Å; D671-V675 PolarHBondContact O-N 2.83Å; H673-V675 VanDerWaalsContact C-N 3.32Å; H673-V675 PolarHBondContact O-N 3.27Å; V675-L679 HydrophobicContact CG1-CD1 3.77Å; V675-L679 HydrophobicContact CG1-CG 4.43Å; V675-L679 WeakPolarHBondContact O-CB 3.49Å; V675-L679 WeakPolarHBondContact O-CD1 3.43Å; V675-L679 WeakPolarHBondContact O-CG 3.44Å; V675-L679 PolarHBondContact O-N 2.9Å; V675-L689 HydrophobicContact CG1-CD1 4.37Å; V675-W705 HydrophobicContact CG1-CH2 4.07Å; V675-W705 HydrophobicContact CG1-CZ3 3.97Å; V675-H708 HydrophobicContact CG2-CB 3.68Å
676T87.6Confident79.6Confident22 Ų2224.8 Ų24.814%0.13514%0.135CC..Hα-helixtrans-69.2-42.5179.3-56.30000111.1S672 H673 T674 H680 M686 R716S672-T676 PolarHBondContact O-N 3.21Å; S672-T676 PolarHBondContact O-OG1 3.28Å; H673-T676 WeakPolarHBondContact O-CA 3.47Å; H673-T676 WeakPolarHBondContact O-CB 3.49Å; H673-T676 PolarHBondContact O-N 3.4Å; T674-T676 PolarHBondContact O-N 3.49Å; T676-H680 VanDerWaalsContact O-CB 3.29Å; T676-H680 WeakPolarHBondContact O-CB 3.43Å; T676-H680 PolarHBondContact O-N 3.1Å; T676-H680 PolarHBondContact O-ND1 2.96Å; T676-M686 HydrophobicContact CG2-CG 4.34Å; T676-M686 HydrophobicContact CG2-SD 3.82Å; T676-R716 PolarHBondContact OG1-NH2 3.13Å
677E82.4Confident81.6Confident64 Ų6425.2 Ų25.230%0.29913%0.133SC..Hα-helixtrans-65.6-47177.4-68.8171.6126.700111.6H673 T674 L679 H680 S681H673-E677 IonicContact CE1-OE1 2.77Å; H673-E677 PolarHBondContact CE1-OE1 3.31Å; H673-E677 IonicContact CE1-OE2 3.66Å; H673-E677 PolarHBondContact CE1-OE2 3.37Å; H673-E677 IonicContact CG-OE2 2.67Å; H673-E677 IonicContact ND1-OE1 3.95Å; H673-E677 IonicContact ND1-OE2 2.65Å; H673-E677 PolarHBondContact ND1-OE2 2.93Å; H673-E677 PolarHBondContact O-N 3.04Å; T674-E677 PolarHBondContact O-N 3.36Å; E677-L679 PolarHBondContact O-N 2.73Å; E677-H680 PolarHBondContact O-N 3.11Å; E677-S681 PolarHBondContact O-N 3.35Å; E677-S681 PolarHBondContact O-OG 2.99Å
678I80.8Confident83.1Confident5 Ų524.2 Ų24.23%0.02613%0.127CC..Hα-helixtrans-61.8-40.8178.1-67163.7000112F649 Y653 L667 P669 T674 S681 R682 W705F649-I678 HydrophobicContact CE2-CG2 3.6Å; F649-I678 HydrophobicContact CZ-CG2 3.71Å; Y653-I678 HydrophobicContact CD2-CG2 4.44Å; Y653-I678 HydrophobicContact CE1-CG2 4.41Å; Y653-I678 HydrophobicContact CE2-CG2 3.52Å; Y653-I678 WeakPolarHBondContact OH-CG2 3.3Å; L667-I678 WeakPolarHBondContact O-CD1 3.41Å; P669-I678 HydrophobicContact CB-CD1 4.03Å; T674-I678 HydrophobicContact CG2-CD1 3.96Å; T674-I678 HydrophobicContact CG2-CG1 4.38Å; T674-I678 WeakPolarHBondContact O-CB 3.25Å; T674-I678 WeakPolarHBondContact O-CD1 3.5Å; T674-I678 WeakPolarHBondContact O-CG1 3.21Å; T674-I678 PolarHBondContact O-N 3.12Å; I678-S681 PolarHBondContact O-OG 3.43Å; I678-R682 WeakPolarHBondContact O-CG 3.2Å; I678-W705 HydrophobicContact CG2-CZ2 4.14Å
679L86.7Confident84.4Confident1 Ų122.8 Ų22.81%0.00512%0.118CC..Hα-helixtrans-68.3-43.6176.2-74.2169.5000111.2F649 V675 E677 R682 G683 I684 M686 L689 V692 W705F649-L679 HydrophobicContact CD1-CD2 4.34Å; F649-L679 HydrophobicContact CE1-CD2 3.6Å; F649-L679 HydrophobicContact CE2-CD2 4.14Å; F649-L679 HydrophobicContact CZ-CD2 3.48Å; F649-L679 VanDerWaalsContact CZ-CD2 3.48Å; F649-L679 HydrophobicContact CZ-CG 4.16Å; V675-L679 HydrophobicContact CG1-CD1 3.77Å; V675-L679 HydrophobicContact CG1-CG 4.43Å; V675-L679 WeakPolarHBondContact O-CB 3.49Å; V675-L679 WeakPolarHBondContact O-CD1 3.43Å; V675-L679 WeakPolarHBondContact O-CG 3.44Å; V675-L679 PolarHBondContact O-N 2.9Å; E677-L679 PolarHBondContact O-N 2.73Å; L679-R682 CarbonylContact O-C 3.58Å; L679-R682 PolarHBondContact O-N 3.25Å; L679-G683 PolarHBondContact O-N 3.41Å; L679-I684 CarbonylContact C-O 3.48Å; L679-I684 HydrophobicContact CB-CB 4.22Å; L679-I684 HydrophobicContact CD2-CB 4Å; L679-I684 HydrophobicContact CD2-CD1 3.82Å; L679-I684 HydrophobicContact CD2-CG2 3.95Å; L679-I684 WeakPolarHBondContact O-CA 3.34Å; L679-I684 WeakPolarHBondContact O-CB 3.18Å; L679-I684 PolarHBondContact O-N 3.29Å; L679-M686 HydrophobicContact CB-SD 4.36Å; L679-M686 HydrophobicContact CD1-CE 3.81Å; L679-M686 HydrophobicContact CD1-SD 4.05Å; L679-L689 HydrophobicContact CD1-CD1 3.83Å; L679-V692 HydrophobicContact CD2-CG1 4.49Å; L679-W705 HydrophobicContact CD2-CH2 4.13Å; L679-W705 HydrophobicContact CG-CH2 4.14Å
680H87.3Confident85.3Confident50 Ų5022.8 Ų22.823%0.23112%0.118CC..Hα-helixtrans-65.5-42.8-179.9-74175.1000113.2R367 T676 E677 R682 G683 M686R367-H680 PolarHBondContact NH1-CD2 2.68Å; R367-H680 PolarHBondContact NH1-CE1 3.49Å; R367-H680 PolarHBondContact NH1-ND1 3.21Å; R367-H680 PolarHBondContact NH1-NE2 3.21Å; T676-H680 VanDerWaalsContact O-CB 3.29Å; T676-H680 WeakPolarHBondContact O-CB 3.43Å; T676-H680 PolarHBondContact O-N 3.1Å; T676-H680 PolarHBondContact O-ND1 2.96Å; E677-H680 PolarHBondContact O-N 3.11Å; H680-R682 PolarHBondContact O-N 3.28Å; H680-G683 PolarHBondContact O-N 3.42Å; H680-M686 WeakPolarHBondContact NE2-CG 3.08Å
681S78.7Confident86Confident62 Ų6223.2 Ų23.243%0.43412%0.119SC..Hα-helixtrans-63.3-21.7177.765.20000113.2E677 I678E677-S681 PolarHBondContact O-N 3.35Å; E677-S681 PolarHBondContact O-OG 2.99Å; I678-S681 PolarHBondContact O-OG 3.43Å
682R80.3Confident86.5Confident47 Ų4722.6 Ų22.618%0.17712%0.116CC..THydrogen-bonded Turntrans-99.213.3174.6-58.5-70.3177.875.9-1.4112.6F649 E664 I678 L679 H680 I684F649-R682 HydrophobicContact CD2-CB 3.86Å; F649-R682 HydrophobicContact CD2-CG 3.84Å; F649-R682 HydrophobicContact CE2-CB 4.19Å; F649-R682 HydrophobicContact CE2-CG 4.01Å; E664-R682 IonicContact OE2-CZ 3.97Å; E664-R682 IonicContact OE2-NE 3.23Å; E664-R682 IonicContact OE2-NH2 3.06Å; E664-R682 PolarHBondContact OE2-NH2 2.91Å; I678-R682 WeakPolarHBondContact O-CG 3.2Å; L679-R682 CarbonylContact O-C 3.58Å; L679-R682 PolarHBondContact O-N 3.25Å; H680-R682 PolarHBondContact O-N 3.28Å; R682-I684 VanDerWaalsContact C-N 3.3Å; R682-I684 HydrophobicContact CB-CD1 4.45Å; R682-I684 PolarHBondContact O-N 3.43Å
683G83Confident86.8Confident1 Ų121.8 Ų21.81%0.0111%0.111CC..THydrogen-bonded Turntrans76.17175.600000115.7L679 H680 G685L679-G683 PolarHBondContact O-N 3.41Å; H680-G683 PolarHBondContact O-N 3.42Å; G683-G685 PolarHBondContact O-N 3.44Å
684I89.9Confident86.9Confident1 Ų120.1 Ų20.11%0.00511%0.105CC..  trans-87.3113.4-175-54167.6000109.5L641 I646 F649 L679 R682 V692L641-I684 HydrophobicContact CD1-CB 4.48Å; L641-I684 HydrophobicContact CD1-CG1 3.92Å; I646-I684 HydrophobicContact CD1-CG2 4.39Å; I646-I684 HydrophobicContact CG1-CD1 4.07Å; I646-I684 HydrophobicContact CG1-CG1 4.22Å; I646-I684 HydrophobicContact CG1-CG2 4.35Å; F649-I684 HydrophobicContact CB-CD1 3.76Å; F649-I684 HydrophobicContact CD1-CD1 3.92Å; F649-I684 HydrophobicContact CD2-CD1 3.65Å; F649-I684 HydrophobicContact CE1-CD1 4.43Å; F649-I684 HydrophobicContact CE2-CD1 4.17Å; F649-I684 HydrophobicContact CG-CD1 3.5Å; F649-I684 VanDerWaalsContact CG-CD1 3.5Å; L679-I684 CarbonylContact C-O 3.48Å; L679-I684 HydrophobicContact CB-CB 4.22Å; L679-I684 HydrophobicContact CD2-CB 4Å; L679-I684 HydrophobicContact CD2-CD1 3.82Å; L679-I684 HydrophobicContact CD2-CG2 3.95Å; L679-I684 WeakPolarHBondContact O-CA 3.34Å; L679-I684 WeakPolarHBondContact O-CB 3.18Å; L679-I684 PolarHBondContact O-N 3.29Å; R682-I684 VanDerWaalsContact C-N 3.3Å; R682-I684 HydrophobicContact CB-CD1 4.45Å; R682-I684 PolarHBondContact O-N 3.43Å; I684-V692 HydrophobicContact CG2-CG2 4.44Å
685G89.3Confident87Confident14 Ų1423.7 Ų23.714%0.14412%0.12CC..  trans-71.4142.5175.800000112.7G683 R687 Y688G683-G685 PolarHBondContact O-N 3.44Å; G685-R687 PolarHBondContact O-N 2.97Å; G685-Y688 WeakPolarHBondContact O-CD2 3.37Å; G685-Y688 PolarHBondContact O-N 3.15Å
686M91.3Very high86.8Confident25 Ų2523.8 Ų23.812%0.12312%0.121CC..G310 helixtrans-59.2-16.1-175.8-59.3-50.8-53.900115.5T676 L679 H680 Y688 L689 Y806T676-M686 HydrophobicContact CG2-CG 4.34Å; T676-M686 HydrophobicContact CG2-SD 3.82Å; L679-M686 HydrophobicContact CB-SD 4.36Å; L679-M686 HydrophobicContact CD1-CE 3.81Å; L679-M686 HydrophobicContact CD1-SD 4.05Å; H680-M686 WeakPolarHBondContact NE2-CG 3.08Å; M686-Y688 PolarHBondContact O-N 3.16Å; M686-L689 HydrophobicContact CE-CB 4.24Å; M686-L689 HydrophobicContact CE-CD1 3.94Å; M686-L689 HydrophobicContact CE-CD2 3.7Å; M686-L689 HydrophobicContact CE-CG 4.19Å; M686-L689 WeakPolarHBondContact O-CB 3.43Å; M686-L689 PolarHBondContact O-N 3.27Å; M686-L689 VanDerWaalsContact O-N 3.08Å; M686-Y806 WeakPolarHBondContact O-CD1 3.43Å; M686-Y806 VanDerWaalsContact O-CE1 3.25Å; M686-Y806 WeakPolarHBondContact O-CE1 3.35Å
687R92.4Very high86.4Confident42 Ų4224.7 Ų24.716%0.15813%0.128CC..G310 helixtrans-59.5-32.6172.1-66.9-176.6-71.8-92-3.2112.2D337 Y340 H359 Y365 G685 L689D337-R687 IonicContact OD2-NH2 3.58Å; Y340-R687 HydrophobicContact CD2-CB 4.43Å; Y340-R687 HydrophobicContact CE1-CB 4.12Å; Y340-R687 HydrophobicContact CE2-CB 3.75Å; Y340-R687 PolarHBondContact OH-O 3.32Å; Y340-R687 VanDerWaalsContact OH-O 3.07Å; H359-R687 WeakPolarHBondContact NE2-CD 3.42Å; Y365-R687 PolarHBondContact O-NH2 3.22Å; G685-R687 PolarHBondContact O-N 2.97Å; R687-L689 PolarHBondContact O-N 3.03Å
688Y92.8Very high86Confident1 Ų127.3 Ų27.30%0.00414%0.14CC..G310 helixtrans-75.9-2.1176.5-65.5-90.3000113.6D337 H339 Y340 F355 L641 L642 I646 G685 M686 G690 F691 V692D337-Y688 VanDerWaalsContact CG-OH 3.3Å; D337-Y688 PolarHBondContact OD1-OH 3.33Å; D337-Y688 WeakPolarHBondContact OD2-CE2 3.36Å; D337-Y688 PolarHBondContact OD2-OH 3.28Å; H339-Y688 WeakPolarHBondContact CB-OH 3.47Å; H339-Y688 AromaticContact ND1-CZ 3.88Å; H339-Y688 PolarHBondContact ND1-OH 3.46Å; Y340-Y688 HydrophobicContact CE2-CD2 4.23Å; Y340-Y688 HydrophobicContact CE2-CE1 4.13Å; Y340-Y688 AromaticContact CE2-CE2 3.68Å; Y340-Y688 HydrophobicContact CE2-CE2 3.68Å; Y340-Y688 AromaticContact CE2-CZ 3.62Å; F355-Y688 HydrophobicContact CE1-CE1 4.05Å; F355-Y688 HydrophobicContact CE2-CE1 4.48Å; F355-Y688 AromaticContact CZ-CD1 3.95Å; F355-Y688 HydrophobicContact CZ-CD1 3.95Å; F355-Y688 AromaticContact CZ-CE1 3.73Å; F355-Y688 HydrophobicContact CZ-CE1 3.73Å; L641-Y688 HydrophobicContact CD2-CD1 4.38Å; L641-Y688 HydrophobicContact CD2-CD2 3.85Å; L641-Y688 HydrophobicContact CD2-CE1 3.95Å; L641-Y688 HydrophobicContact CD2-CE2 3.37Å; L641-Y688 HydrophobicContact CD2-CG 4.35Å; L641-Y688 VanDerWaalsContact CD2-CZ 3.42Å; L642-Y688 HydrophobicContact CD2-CD1 4.17Å; L642-Y688 HydrophobicContact CD2-CE1 3.88Å; I646-Y688 HydrophobicContact CD1-CD1 3.98Å; I646-Y688 HydrophobicContact CD1-CG 4.23Å; G685-Y688 WeakPolarHBondContact O-CD2 3.37Å; G685-Y688 PolarHBondContact O-N 3.15Å; M686-Y688 PolarHBondContact O-N 3.16Å; Y688-G690 VanDerWaalsContact C-N 3.27Å; Y688-G690 PolarHBondContact O-N 3.31Å; Y688-F691 WeakPolarHBondContact O-CB 3.28Å; Y688-F691 PolarHBondContact O-N 2.96Å; Y688-V692 WeakPolarHBondContact O-CG2 3.24Å; Y688-V692 PolarHBondContact O-N 3.41Å
689L91.8Very high85.6Confident1 Ų131.6 Ų31.61%0.00516%0.158CC..Hα-helixtrans-57.2-36.2-174.7-174.862.5000113.2V675 L679 M686 R687 A693 C709 A712 I713 Y806V675-L689 HydrophobicContact CG1-CD1 4.37Å; L679-L689 HydrophobicContact CD1-CD1 3.83Å; M686-L689 HydrophobicContact CE-CB 4.24Å; M686-L689 HydrophobicContact CE-CD1 3.94Å; M686-L689 HydrophobicContact CE-CD2 3.7Å; M686-L689 HydrophobicContact CE-CG 4.19Å; M686-L689 WeakPolarHBondContact O-CB 3.43Å; M686-L689 PolarHBondContact O-N 3.27Å; M686-L689 VanDerWaalsContact O-N 3.08Å; R687-L689 PolarHBondContact O-N 3.03Å; L689-A693 VanDerWaalsContact O-CB 3.25Å; L689-A693 WeakPolarHBondContact O-CB 3.43Å; L689-A693 PolarHBondContact O-N 3.18Å; L689-C709 HydrophobicContact CD1-CB 3.74Å; L689-C709 HydrophobicContact CG-CB 4.34Å; L689-A712 HydrophobicContact CD2-CB 4.02Å; L689-I713 HydrophobicContact CB-CG1 4.48Å; L689-I713 HydrophobicContact CD2-CD1 4.42Å; L689-I713 HydrophobicContact CD2-CG1 3.49Å; L689-I713 VanDerWaalsContact CD2-CG1 3.49Å; L689-I713 HydrophobicContact CG-CD1 4.21Å; L689-I713 HydrophobicContact CG-CG1 3.81Å; L689-Y806 HydrophobicContact CB-CD1 4.07Å; L689-Y806 HydrophobicContact CB-CE1 4.42Å
690G91Very high84.8Confident0 Ų034.4 Ų34.40%018%0.179CC..Hα-helixtrans-69.1-39174.600000113.3Y688 A693 N694Y688-G690 VanDerWaalsContact C-N 3.27Å; Y688-G690 PolarHBondContact O-N 3.31Å; G690-A693 PolarHBondContact O-N 2.88Å; G690-N694 PolarHBondContact O-N 3.19Å
691F91Very high84Confident17 Ų1734.3 Ų34.38%0.07518%0.181CC..Hα-helixtrans-66.2-44.3174.6-179.7-99000111.5C353 F355 L642 I646 Y688 N694 K695C353-F691 HydrophobicContact CB-CE2 3.84Å; C353-F691 HydrophobicContact CB-CZ 4.29Å; F355-F691 HydrophobicContact CE2-CD2 4.32Å; F355-F691 HydrophobicContact CE2-CE2 4.45Å; L642-F691 HydrophobicContact CD2-CD1 4.34Å; L642-F691 HydrophobicContact CD2-CE1 3.91Å; L642-F691 HydrophobicContact CD2-CZ 4.2Å; I646-F691 HydrophobicContact CD1-CD1 4Å; I646-F691 HydrophobicContact CD1-CE1 4.21Å; I646-F691 HydrophobicContact CG2-CD1 4.29Å; I646-F691 HydrophobicContact CG2-CE1 4.07Å; Y688-F691 WeakPolarHBondContact O-CB 3.28Å; Y688-F691 PolarHBondContact O-N 2.96Å; F691-N694 PolarHBondContact O-N 3.28Å; F691-K695 HydrophobicContact CE1-CG 4.15Å; F691-K695 HydrophobicContact CZ-CG 4.25Å; F691-K695 PolarHBondContact O-N 2.99Å
692V89Confident83.8Confident0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-60.5-45.6173.2173.80000110.7I646 L679 I684 Y688 N694 K695 L696 W705I646-V692 HydrophobicContact CD1-CG2 4.32Å; I646-V692 HydrophobicContact CG2-CG2 4.16Å; L679-V692 HydrophobicContact CD2-CG1 4.49Å; I684-V692 HydrophobicContact CG2-CG2 4.44Å; Y688-V692 WeakPolarHBondContact O-CG2 3.24Å; Y688-V692 PolarHBondContact O-N 3.41Å; V692-N694 VanDerWaalsContact C-N 3.28Å; V692-N694 PolarHBondContact O-N 3.08Å; V692-K695 PolarHBondContact O-N 2.89Å; V692-L696 HydrophobicContact CG1-CD1 3.67Å; V692-L696 HydrophobicContact CG1-CG 4.21Å; V692-L696 WeakPolarHBondContact O-CB 3.19Å; V692-L696 WeakPolarHBondContact O-CG 3.33Å; V692-L696 PolarHBondContact O-N 3.37Å; V692-W705 HydrophobicContact CG1-CZ3 4.21Å
693A88Confident83.7Confident0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-62.3-31.7177.600000113.7L689 G690 S697 Q706 C709 L710 Y808L689-A693 VanDerWaalsContact O-CB 3.25Å; L689-A693 WeakPolarHBondContact O-CB 3.43Å; L689-A693 PolarHBondContact O-N 3.18Å; G690-A693 PolarHBondContact O-N 2.88Å; A693-S697 PolarHBondContact O-N 2.72Å; A693-Q706 WeakPolarHBondContact O-CG 3.43Å; A693-Q706 PolarHBondContact O-NE2 3.32Å; A693-Q706 VanDerWaalsContact O-NE2 3.15Å; A693-C709 HydrophobicContact CB-CB 3.86Å; A693-L710 HydrophobicContact CB-CD2 3.88Å; A693-Y808 HydrophobicContact CB-CD2 4.32Å; A693-Y808 HydrophobicContact CB-CE2 4.1Å
694N86.3Confident83.4Confident64 Ų6431.8 Ų31.834%0.34216%0.164SC..Hα-helixtrans-71.4-48171.6-72.8-11.2000111.3G690 F691 V692 L696 S697 Y808G690-N694 PolarHBondContact O-N 3.19Å; F691-N694 PolarHBondContact O-N 3.28Å; V692-N694 VanDerWaalsContact C-N 3.28Å; V692-N694 PolarHBondContact O-N 3.08Å; N694-L696 VanDerWaalsContact C-N 3.28Å; N694-L696 PolarHBondContact O-N 3.44Å; N694-S697 WeakPolarHBondContact O-CA 3.12Å; N694-S697 WeakPolarHBondContact O-CB 3.42Å; N694-S697 PolarHBondContact O-N 3.45Å; N694-S697 PolarHBondContact O-OG 3.49Å; N694-Y808 WeakPolarHBondContact OD1-CE2 3.26Å
695K82.6Confident83Confident80 Ų8031.8 Ų31.835%0.34816%0.164SC..Hα-helixtrans-60.5-35.1178.1-78.7-76.3154.9-1500113.3F691 V692 S697 E698F691-K695 HydrophobicContact CE1-CG 4.15Å; F691-K695 HydrophobicContact CZ-CG 4.25Å; F691-K695 PolarHBondContact O-N 2.99Å; V692-K695 PolarHBondContact O-N 2.89Å; K695-S697 VanDerWaalsContact C-N 3.32Å; K695-E698 WeakPolarHBondContact CD-OE1 3.46Å; K695-E698 VanDerWaalsContact CE-OE1 3.31Å; K695-E698 WeakPolarHBondContact CE-OE1 3.24Å; K695-E698 IonicContact NZ-OE1 2.83Å; K695-E698 PolarHBondContact NZ-OE1 3.43Å; K695-E698 IonicContact NZ-OE2 2.75Å; K695-E698 PolarHBondContact NZ-OE2 2.81Å; K695-E698 WeakPolarHBondContact O-CB 3.22Å
696L80.8Confident82.8Confident3 Ų331.4 Ų31.42%0.01616%0.159CC..Hα-helixtrans-72.4-23.7174.2-64.5167.3000113.2V650 V692 N694 E698 K699 L702 W705 Q706V650-L696 HydrophobicContact CG1-CD2 4.39Å; V650-L696 HydrophobicContact CG2-CD2 4.19Å; V692-L696 HydrophobicContact CG1-CD1 3.67Å; V692-L696 HydrophobicContact CG1-CG 4.21Å; V692-L696 WeakPolarHBondContact O-CB 3.19Å; V692-L696 WeakPolarHBondContact O-CG 3.33Å; V692-L696 PolarHBondContact O-N 3.37Å; N694-L696 VanDerWaalsContact C-N 3.28Å; N694-L696 PolarHBondContact O-N 3.44Å; L696-E698 PolarHBondContact O-N 2.9Å; L696-K699 PolarHBondContact O-N 2.88Å; L696-L702 HydrophobicContact CB-CB 4.43Å; L696-L702 HydrophobicContact CD2-CB 4.14Å; L696-L702 HydrophobicContact CD2-CD1 3.47Å; L696-L702 VanDerWaalsContact CD2-CD1 3.47Å; L696-L702 HydrophobicContact CD2-CG 4.34Å; L696-W705 HydrophobicContact CD1-CB 4.29Å; L696-W705 HydrophobicContact CD1-CD2 3.94Å; L696-W705 HydrophobicContact CD1-CE3 3.24Å; L696-W705 HydrophobicContact CD1-CG 4.39Å; L696-W705 HydrophobicContact CD1-CZ3 3.86Å; L696-Q706 HydrophobicContact CB-CB 4.26Å
697S78.9Confident82.5Confident40 Ų4030.9 Ų30.928%0.2816%0.156SC..Hα-helixtrans-66.5-25.8177.3830000113.2A693 N694 K695 K699A693-S697 PolarHBondContact O-N 2.72Å; N694-S697 WeakPolarHBondContact O-CA 3.12Å; N694-S697 WeakPolarHBondContact O-CB 3.42Å; N694-S697 PolarHBondContact O-N 3.45Å; N694-S697 PolarHBondContact O-OG 3.49Å; K695-S697 VanDerWaalsContact C-N 3.32Å; S697-K699 PolarHBondContact O-N 2.87Å
698E74.9Confident82.3Confident120 Ų12029.4 Ų29.456%0.56115%0.15SC*.THydrogen-bonded Turntrans-66.2-15.6-178.9-63.4168-164.100112.2K695 L696K695-E698 WeakPolarHBondContact CD-OE1 3.46Å; K695-E698 VanDerWaalsContact CE-OE1 3.31Å; K695-E698 WeakPolarHBondContact CE-OE1 3.24Å; K695-E698 IonicContact NZ-OE1 2.83Å; K695-E698 PolarHBondContact NZ-OE1 3.43Å; K695-E698 IonicContact NZ-OE2 2.75Å; K695-E698 PolarHBondContact NZ-OE2 2.81Å; K695-E698 WeakPolarHBondContact O-CB 3.22Å; L696-E698 PolarHBondContact O-N 2.9Å
699K72.1Confident82.2Confident94 Ų9429.3 Ų29.341%0.40915%0.15SC..  trans-128.3115.9-178.2-65.1-172.1-179.9-1730111.7I654 L696 S697 T701 L702I654-K699 HydrophobicContact CD1-CD 3.56Å; I654-K699 HydrophobicContact CG1-CD 4.33Å; L696-K699 PolarHBondContact O-N 2.88Å; S697-K699 PolarHBondContact O-N 2.87Å; K699-T701 PolarHBondContact O-N 2.68Å; K699-T701 VanDerWaalsContact O-N 3.16Å; K699-L702 HydrophobicContact CB-CD1 4.09Å; K699-L702 HydrophobicContact CB-CG 4.21Å; K699-L702 HydrophobicContact CD-CD1 4.5Å; K699-L702 PolarHBondContact O-N 3.07Å
700S70.5Confident82.2Confident61 Ų6129.3 Ų29.343%0.42715%0.15SC..G310 helixtrans-55.7-32.1178.153.50000113.5L702 Q703S700-L702 PolarHBondContact O-N 2.78Å; S700-Q703 VanDerWaalsContact O-CG 3.25Å; S700-Q703 WeakPolarHBondContact O-CG 3.21Å; S700-Q703 PolarHBondContact O-N 2.89Å
701T69.8Low82.2Confident47 Ų4729.9 Ų29.929%0.28815%0.154SC..G310 helixtrans-63.2-19.9176.560.30000113.8K699 Y1058K699-T701 PolarHBondContact O-N 2.68Å; K699-T701 VanDerWaalsContact O-N 3.16Å; T701-Y1058 VanDerWaalsContact CB-O 3.22Å; T701-Y1058 WeakPolarHBondContact CB-O 3.5Å; T701-Y1058 WeakPolarHBondContact CG2-O 3.04Å; T701-Y1058 WeakPolarHBondContact O-CD1 3.4Å
702L74.9Confident82.3Confident2 Ų229 Ų291%0.0115%0.15CC..G310 helixtrans-105.510.3-177.7-56.1176.4000113.8V650 I654 L696 K699 S700 Y704 W705 Q706V650-L702 HydrophobicContact CG1-CD1 4.35Å; I654-L702 HydrophobicContact CD1-CD1 3.8Å; I654-L702 HydrophobicContact CG1-CD1 3.44Å; I654-L702 VanDerWaalsContact CG1-CD1 3.44Å; I654-L702 HydrophobicContact CG1-CD2 3.82Å; I654-L702 HydrophobicContact CG1-CG 4.01Å; L696-L702 HydrophobicContact CB-CB 4.43Å; L696-L702 HydrophobicContact CD2-CB 4.14Å; L696-L702 HydrophobicContact CD2-CD1 3.47Å; L696-L702 VanDerWaalsContact CD2-CD1 3.47Å; L696-L702 HydrophobicContact CD2-CG 4.34Å; K699-L702 HydrophobicContact CB-CD1 4.09Å; K699-L702 HydrophobicContact CB-CG 4.21Å; K699-L702 HydrophobicContact CD-CD1 4.5Å; K699-L702 PolarHBondContact O-N 3.07Å; S700-L702 PolarHBondContact O-N 2.78Å; L702-Y704 PolarHBondContact O-N 3.38Å; L702-Y704 VanDerWaalsContact O-N 3.11Å; L702-W705 HydrophobicContact CB-CB 4.43Å; L702-W705 WeakPolarHBondContact O-CA 3.37Å; L702-W705 VanDerWaalsContact O-CB 3.31Å; L702-W705 WeakPolarHBondContact O-CB 3.02Å; L702-W705 PolarHBondContact O-N 2.76Å; L702-Q706 PolarHBondContact O-N 2.73Å
703Q78.3Confident82.6Confident44 Ų4429 Ų2921%0.20615%0.15CC..Hα-helixtrans-54.5-32.8-178.9-79175.89.400113.6S700 K707S700-Q703 VanDerWaalsContact O-CG 3.25Å; S700-Q703 WeakPolarHBondContact O-CG 3.21Å; S700-Q703 PolarHBondContact O-N 2.89Å; Q703-K707 VanDerWaalsContact O-CB 3.29Å; Q703-K707 WeakPolarHBondContact O-CB 3.2Å; Q703-K707 PolarHBondContact O-N 3.46Å
704Y75.7Confident83Confident12 Ų1229 Ų295%0.04715%0.15CC..Hα-helixtrans-69.4-40.5176.777.9-83.6000111.8C657 P669 L702 K707 H708 H1016 P1017 Y1058C657-Y704 PolarHBondContact SG-OH 3.04Å; C657-Y704 VanDerWaalsContact SG-OH 3.33Å; P669-Y704 HydrophobicContact CG-CE2 3.89Å; L702-Y704 PolarHBondContact O-N 3.38Å; L702-Y704 VanDerWaalsContact O-N 3.11Å; Y704-K707 WeakPolarHBondContact O-CB 3.33Å; Y704-K707 PolarHBondContact O-N 3.06Å; Y704-H708 PolarHBondContact O-CD2 2.88Å; Y704-H708 PolarHBondContact O-N 3.34Å; Y704-H1016 AromaticContact CD2-NE2 3.43Å; Y704-H1016 WeakPolarHBondContact CD2-NE2 3.45Å; Y704-P1017 HydrophobicContact CD1-CG 3.94Å; Y704-P1017 HydrophobicContact CD2-CG 3.69Å; Y704-P1017 HydrophobicContact CE1-CG 3.93Å; Y704-P1017 HydrophobicContact CE2-CG 3.65Å; Y704-P1017 HydrophobicContact CG-CG 3.83Å; Y704-Y1058 HydrophobicContact CD1-CD1 4.04Å; Y704-Y1058 AromaticContact CD1-CE1 3.95Å; Y704-Y1058 HydrophobicContact CD1-CE1 3.95Å
705W82.1Confident83.4Confident1 Ų126.4 Ų26.40%0.00414%0.136CC..Hα-helixtrans-62.6-47.6174.9-137.8113.7000110.1F649 P669 V675 I678 L679 V692 L696 L702 K707 H708 C709F649-W705 AromaticContact CE1-CH2 3.42Å; F649-W705 HydrophobicContact CE1-CH2 3.42Å; F649-W705 VanDerWaalsContact CE1-CH2 3.42Å; F649-W705 AromaticContact CE1-CZ2 3.6Å; F649-W705 HydrophobicContact CE1-CZ2 3.6Å; F649-W705 HydrophobicContact CE1-CZ3 4.14Å; F649-W705 AromaticContact CZ-CH2 3.34Å; F649-W705 HydrophobicContact CZ-CH2 3.34Å; F649-W705 AromaticContact CZ-CZ2 3.37Å; F649-W705 HydrophobicContact CZ-CZ2 3.37Å; F649-W705 HydrophobicContact CZ-CZ3 4.44Å; P669-W705 HydrophobicContact CG-CD2 4.34Å; P669-W705 HydrophobicContact CG-CG 4.11Å; V675-W705 HydrophobicContact CG1-CH2 4.07Å; V675-W705 HydrophobicContact CG1-CZ3 3.97Å; I678-W705 HydrophobicContact CG2-CZ2 4.14Å; L679-W705 HydrophobicContact CD2-CH2 4.13Å; L679-W705 HydrophobicContact CG-CH2 4.14Å; V692-W705 HydrophobicContact CG1-CZ3 4.21Å; L696-W705 HydrophobicContact CD1-CB 4.29Å; L696-W705 HydrophobicContact CD1-CD2 3.94Å; L696-W705 HydrophobicContact CD1-CE3 3.24Å; L696-W705 HydrophobicContact CD1-CG 4.39Å; L696-W705 HydrophobicContact CD1-CZ3 3.86Å; L702-W705 HydrophobicContact CB-CB 4.43Å; L702-W705 WeakPolarHBondContact O-CA 3.37Å; L702-W705 VanDerWaalsContact O-CB 3.31Å; L702-W705 WeakPolarHBondContact O-CB 3.02Å; L702-W705 PolarHBondContact O-N 2.76Å; W705-K707 PolarHBondContact O-N 2.89Å; W705-H708 PolarHBondContact O-N 3.03Å; W705-C709 WeakPolarHBondContact CZ3-SG 3.39Å; W705-C709 PolarHBondContact O-N 2.84Å; W705-C709 VanDerWaalsContact O-N 3.11Å
706Q84.2Confident84Confident6 Ų626 Ų263%0.02813%0.133CC..Hα-helixtrans-57.1-47.3174.6-168.1-167.626.900111.5A693 L696 L702 H708 C709 L710A693-Q706 WeakPolarHBondContact O-CG 3.43Å; A693-Q706 PolarHBondContact O-NE2 3.32Å; A693-Q706 VanDerWaalsContact O-NE2 3.15Å; L696-Q706 HydrophobicContact CB-CB 4.26Å; L702-Q706 PolarHBondContact O-N 2.73Å; Q706-H708 VanDerWaalsContact C-N 3.26Å; Q706-H708 PolarHBondContact O-N 3.45Å; Q706-C709 WeakPolarHBondContact O-CB 3.41Å; Q706-C709 PolarHBondContact O-N 3.18Å; Q706-L710 HydrophobicContact CG-CD1 4.31Å; Q706-L710 HydrophobicContact CG-CG 4.29Å; Q706-L710 WeakPolarHBondContact O-CG 3.31Å; Q706-L710 PolarHBondContact O-N 2.68Å
707K86.3Confident84.7Confident14 Ų1426 Ų266%0.06113%0.133CC..Hα-helixtrans-54-40.5178.7171.2-177.3162.2174.80112.4Q703 Y704 W705 S711 K839 V840 N1012Q703-K707 VanDerWaalsContact O-CB 3.29Å; Q703-K707 WeakPolarHBondContact O-CB 3.2Å; Q703-K707 PolarHBondContact O-N 3.46Å; Y704-K707 WeakPolarHBondContact O-CB 3.33Å; Y704-K707 PolarHBondContact O-N 3.06Å; W705-K707 PolarHBondContact O-N 2.89Å; K707-S711 WeakPolarHBondContact O-CB 3.31Å; K707-S711 PolarHBondContact O-N 2.98Å; K707-S711 PolarHBondContact O-OG 3.11Å; K707-K839 WeakPolarHBondContact CE-O 3.33Å; K707-K839 PolarHBondContact NZ-O 3.38Å; K707-V840 HydrophobicContact CD-CG2 4.06Å; K707-V840 HydrophobicContact CG-CG2 3.58Å; K707-N1012 PolarHBondContact NZ-O 3.28Å
708H88Confident85.5Confident10 Ų1024.1 Ų24.15%0.04612%0.12CC..Hα-helixtrans-72.1-38.1175.5-68.6-61.6000112.9P669 F670 V675 Y704 W705 Q706 L710 S711 A712 N1012 H1016P669-H708 PolarHBondContact O-CD2 3.15Å; P669-H708 PolarHBondContact O-NE2 2.98Å; F670-H708 PolarHBondContact O-CE1 2.71Å; F670-H708 PolarHBondContact O-NE2 2.82Å; V675-H708 HydrophobicContact CG2-CB 3.68Å; Y704-H708 PolarHBondContact O-CD2 2.88Å; Y704-H708 PolarHBondContact O-N 3.34Å; W705-H708 PolarHBondContact O-N 3.03Å; Q706-H708 VanDerWaalsContact C-N 3.26Å; Q706-H708 PolarHBondContact O-N 3.45Å; H708-L710 PolarHBondContact O-N 3.07Å; H708-S711 PolarHBondContact O-N 3.41Å; H708-A712 WeakPolarHBondContact O-CB 3.24Å; H708-A712 PolarHBondContact O-N 3.07Å; H708-N1012 PolarHBondContact CE1-ND2 3.33Å; H708-N1012 PolarHBondContact NE2-ND2 2.83Å; H708-H1016 AromaticContact CD2-NE2 3.74Å; H708-H1016 AromaticContact NE2-CD2 2.99Å; H708-H1016 PolarHBondContact NE2-CD2 2.8Å; H708-H1016 AromaticContact NE2-CE1 2.86Å; H708-H1016 PolarHBondContact NE2-CE1 3.31Å; H708-H1016 AromaticContact NE2-CG 3.91Å; H708-H1016 AromaticContact NE2-ND1 3.82Å; H708-H1016 AromaticContact NE2-NE2 2.11Å; H708-H1016 PolarHBondContact NE2-NE2 2.91Å
709C90.2Very high86.4Confident0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-57.7-48.2170.6-65.60000112.4L689 A693 W705 Q706 A712 I713L689-C709 HydrophobicContact CD1-CB 3.74Å; L689-C709 HydrophobicContact CG-CB 4.34Å; A693-C709 HydrophobicContact CB-CB 3.86Å; W705-C709 WeakPolarHBondContact CZ3-SG 3.39Å; W705-C709 PolarHBondContact O-N 2.84Å; W705-C709 VanDerWaalsContact O-N 3.11Å; Q706-C709 WeakPolarHBondContact O-CB 3.41Å; Q706-C709 PolarHBondContact O-N 3.18Å; C709-A712 CarbonylContact O-C 3.58Å; C709-A712 WeakPolarHBondContact O-CB 3.4Å; C709-A712 PolarHBondContact O-N 3.31Å; C709-A712 VanDerWaalsContact O-N 3.14Å; C709-I713 WeakPolarHBondContact O-CG1 3.11Å; C709-I713 PolarHBondContact O-N 3.22Å
710L91.7Very high87.4Confident0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-64.7-42.9-178.6-61.7-172.2000111.6A693 Q706 H708 A712 I713 I714 Y808 F810 L813 F834A693-L710 HydrophobicContact CB-CD2 3.88Å; Q706-L710 HydrophobicContact CG-CD1 4.31Å; Q706-L710 HydrophobicContact CG-CG 4.29Å; Q706-L710 WeakPolarHBondContact O-CG 3.31Å; Q706-L710 PolarHBondContact O-N 2.68Å; H708-L710 PolarHBondContact O-N 3.07Å; L710-A712 VanDerWaalsContact C-N 3.28Å; L710-A712 PolarHBondContact O-N 3.45Å; L710-I713 HydrophobicContact CD2-CD1 4.39Å; L710-I713 PolarHBondContact O-N 3.39Å; L710-I714 WeakPolarHBondContact O-CG1 3.3Å; L710-I714 PolarHBondContact O-N 2.81Å; L710-Y808 HydrophobicContact CD2-CD1 4.16Å; L710-Y808 HydrophobicContact CD2-CD2 4.24Å; L710-Y808 HydrophobicContact CD2-CE1 3.55Å; L710-Y808 HydrophobicContact CD2-CE2 3.63Å; L710-Y808 HydrophobicContact CD2-CG 4.49Å; L710-Y808 WeakPolarHBondContact CD2-OH 3.49Å; L710-F810 HydrophobicContact CB-CE1 4.14Å; L710-F810 HydrophobicContact CB-CZ 4.41Å; L710-F810 HydrophobicContact CD2-CE1 4.15Å; L710-F810 HydrophobicContact CD2-CZ 4.34Å; L710-F810 HydrophobicContact CG-CE1 4.47Å; L710-L813 HydrophobicContact CD1-CD2 4.32Å; L710-F834 HydrophobicContact CB-CE2 3.94Å; L710-F834 HydrophobicContact CB-CZ 3.77Å; L710-F834 HydrophobicContact CD1-CE2 4.07Å
711S92.1Very high88.4Confident12 Ų1215.3 Ų15.38%0.0847%0.073CC..Hα-helixtrans-59.9-39.8172.8-55.90000111.5K707 H708 I714 V715K707-S711 WeakPolarHBondContact O-CB 3.31Å; K707-S711 PolarHBondContact O-N 2.98Å; K707-S711 PolarHBondContact O-OG 3.11Å; H708-S711 PolarHBondContact O-N 3.41Å; S711-I714 PolarHBondContact O-N 3.29Å; S711-V715 WeakPolarHBondContact O-CB 3.36Å; S711-V715 VanDerWaalsContact O-CG2 3.3Å; S711-V715 WeakPolarHBondContact O-CG2 3.46Å; S711-V715 PolarHBondContact O-N 3.4Å
712A93.1Very high89.6Confident0 Ų013.1 Ų13.10%06%0.06CC..Hα-helixtrans-71.6-24.6178.100000114.2L689 H708 C709 L710 R716L689-A712 HydrophobicContact CD2-CB 4.02Å; H708-A712 WeakPolarHBondContact O-CB 3.24Å; H708-A712 PolarHBondContact O-N 3.07Å; C709-A712 CarbonylContact O-C 3.58Å; C709-A712 WeakPolarHBondContact O-CB 3.4Å; C709-A712 PolarHBondContact O-N 3.31Å; C709-A712 VanDerWaalsContact O-N 3.14Å; L710-A712 VanDerWaalsContact C-N 3.28Å; L710-A712 PolarHBondContact O-N 3.45Å; A712-R716 WeakPolarHBondContact O-CD 3.42Å; A712-R716 VanDerWaalsContact O-CG 3.26Å; A712-R716 WeakPolarHBondContact O-CG 3.25Å; A712-R716 PolarHBondContact O-NH1 3.14Å
713I95.1Very high90.2Very high0 Ų014.8 Ų14.80%07%0.066CC..Hα-helixtrans-72.4-55.7167.1-67.3171000109.2L689 C709 L710 V715 R716 C717 A802 Y806 Y808 F810L689-I713 HydrophobicContact CB-CG1 4.48Å; L689-I713 HydrophobicContact CD2-CD1 4.42Å; L689-I713 HydrophobicContact CD2-CG1 3.49Å; L689-I713 VanDerWaalsContact CD2-CG1 3.49Å; L689-I713 HydrophobicContact CG-CD1 4.21Å; L689-I713 HydrophobicContact CG-CG1 3.81Å; C709-I713 WeakPolarHBondContact O-CG1 3.11Å; C709-I713 PolarHBondContact O-N 3.22Å; L710-I713 HydrophobicContact CD2-CD1 4.39Å; L710-I713 PolarHBondContact O-N 3.39Å; I713-V715 VanDerWaalsContact C-N 3.32Å; I713-V715 PolarHBondContact O-N 3.48Å; I713-R716 WeakPolarHBondContact O-CB 3.31Å; I713-R716 PolarHBondContact O-N 3.44Å; I713-C717 PolarHBondContact O-N 3.15Å; I713-C717 PolarHBondContact O-SG 2.67Å; I713-C717 VanDerWaalsContact O-SG 3.37Å; I713-A802 HydrophobicContact CG2-CB 3.86Å; I713-Y806 HydrophobicContact CB-CD2 4.41Å; I713-Y806 HydrophobicContact CD1-CG 4.44Å; I713-Y806 HydrophobicContact CG1-CD2 4.21Å; I713-Y806 HydrophobicContact CG1-CG 4.18Å; I713-Y806 HydrophobicContact CG2-CD2 3.62Å; I713-Y806 HydrophobicContact CG2-CE2 4.01Å; I713-Y806 HydrophobicContact CG2-CG 4.32Å; I713-Y808 HydrophobicContact CD1-CD2 4.48Å; I713-Y808 HydrophobicContact CD1-CG 4.11Å; I713-F810 HydrophobicContact CB-CE2 4.4Å; I713-F810 HydrophobicContact CB-CZ 4.21Å; I713-F810 HydrophobicContact CG2-CE2 3.69Å; I713-F810 HydrophobicContact CG2-CZ 4.01Å
714I95Very high90.6Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-55-46.5-176.3-70.4167.8000111.3L710 S711 R716 C717 A718 F745 W795 I798 F810 I831 F834L710-I714 WeakPolarHBondContact O-CG1 3.3Å; L710-I714 PolarHBondContact O-N 2.81Å; S711-I714 PolarHBondContact O-N 3.29Å; I714-R716 VanDerWaalsContact C-N 3.3Å; I714-R716 PolarHBondContact O-N 3.29Å; I714-C717 PolarHBondContact O-N 2.69Å; I714-A718 VanDerWaalsContact O-CB 3.27Å; I714-A718 WeakPolarHBondContact O-CB 3.48Å; I714-A718 PolarHBondContact O-N 2.78Å; I714-F745 HydrophobicContact CG2-CE2 3.89Å; I714-F745 HydrophobicContact CG2-CZ 4.01Å; I714-W795 HydrophobicContact CD1-CH2 4.27Å; I714-W795 HydrophobicContact CD1-CZ3 4.31Å; I714-I798 HydrophobicContact CG1-CG2 4.43Å; I714-I798 HydrophobicContact CG2-CG2 4.41Å; I714-F810 HydrophobicContact CD1-CE1 3.91Å; I714-F810 HydrophobicContact CD1-CZ 3.94Å; I714-F810 HydrophobicContact CG1-CE1 4.08Å; I714-F810 HydrophobicContact CG1-CE2 3.91Å; I714-F810 HydrophobicContact CG1-CZ 3.57Å; I714-I831 HydrophobicContact CD1-CD1 4.26Å; I714-I831 HydrophobicContact CG2-CD1 3.86Å; I714-F834 HydrophobicContact CD1-CD1 3.57Å; I714-F834 HydrophobicContact CD1-CD2 3.91Å; I714-F834 HydrophobicContact CD1-CE1 3.38Å; I714-F834 HydrophobicContact CD1-CE2 3.75Å; I714-F834 HydrophobicContact CD1-CG 3.84Å; I714-F834 HydrophobicContact CD1-CZ 3.48Å; I714-F834 VanDerWaalsContact CD1-CZ 3.48Å
715V95.2Very high91.3Very high8 Ų816.3 Ų16.35%0.0488%0.081CC..Hα-helixtrans-64.1-33.1178.71700000112.2S711 I713 K719 L845 A852S711-V715 WeakPolarHBondContact O-CB 3.36Å; S711-V715 VanDerWaalsContact O-CG2 3.3Å; S711-V715 WeakPolarHBondContact O-CG2 3.46Å; S711-V715 PolarHBondContact O-N 3.4Å; I713-V715 VanDerWaalsContact C-N 3.32Å; I713-V715 PolarHBondContact O-N 3.48Å; V715-K719 VanDerWaalsContact O-CB 3.24Å; V715-K719 WeakPolarHBondContact O-CB 3.38Å; V715-K719 PolarHBondContact O-N 3.3Å; V715-L845 HydrophobicContact CG2-CD2 4.13Å; V715-A852 HydrophobicContact CG1-CB 4.13Å
716R94.8Very high91.6Very high72 Ų7216.6 Ų16.627%0.2728%0.082SC..Hα-helixtrans-73.4-40.7177.1-76.7179173.279.7-4.5112.2T676 A712 I713 I714 K719 H720 Y806T676-R716 PolarHBondContact OG1-NH2 3.13Å; A712-R716 WeakPolarHBondContact O-CD 3.42Å; A712-R716 VanDerWaalsContact O-CG 3.26Å; A712-R716 WeakPolarHBondContact O-CG 3.25Å; A712-R716 PolarHBondContact O-NH1 3.14Å; I713-R716 WeakPolarHBondContact O-CB 3.31Å; I713-R716 PolarHBondContact O-N 3.44Å; I714-R716 VanDerWaalsContact C-N 3.3Å; I714-R716 PolarHBondContact O-N 3.29Å; R716-K719 PolarHBondContact O-N 3.09Å; R716-H720 PolarHBondContact O-N 2.83Å; R716-H720 VanDerWaalsContact O-N 3.07Å; R716-Y806 WeakPolarHBondContact CD-OH 3.45Å
717C95.4Very high91.6Very high3 Ų318.5 Ų18.52%0.029%0.091CC..Hα-helixtrans-65.9-46.6173.2-58.90000111.1I713 I714 K719 H720 S721 I798 D801 A802I713-C717 PolarHBondContact O-N 3.15Å; I713-C717 PolarHBondContact O-SG 2.67Å; I713-C717 VanDerWaalsContact O-SG 3.37Å; I714-C717 PolarHBondContact O-N 2.69Å; C717-K719 VanDerWaalsContact C-N 3.28Å; C717-K719 PolarHBondContact O-N 3.46Å; C717-H720 WeakPolarHBondContact O-CA 3.34Å; C717-H720 VanDerWaalsContact O-CB 3.3Å; C717-H720 WeakPolarHBondContact O-CB 3.47Å; C717-H720 PolarHBondContact O-N 2.86Å; C717-S721 PolarHBondContact O-N 3.25Å; C717-I798 HydrophobicContact CB-CB 4.32Å; C717-I798 HydrophobicContact CB-CG1 4.26Å; C717-I798 HydrophobicContact CB-CG2 4.05Å; C717-D801 HydrophobicContact CB-CB 3.91Å; C717-A802 PolarHBondContact SG-N 3.43Å
718A95.5Very high91.3Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-59.9-37.2174.700000112.3I714 H720 F722 F745 I798 L849I714-A718 VanDerWaalsContact O-CB 3.27Å; I714-A718 WeakPolarHBondContact O-CB 3.48Å; I714-A718 PolarHBondContact O-N 2.78Å; A718-H720 VanDerWaalsContact C-N 3.31Å; A718-H720 PolarHBondContact O-N 3.16Å; A718-F722 WeakPolarHBondContact O-CB 3.39Å; A718-F722 PolarHBondContact O-N 3.12Å; A718-F745 HydrophobicContact CB-CD2 3.91Å; A718-F745 HydrophobicContact CB-CE2 3.47Å; A718-F745 VanDerWaalsContact CB-CE2 3.47Å; A718-F745 HydrophobicContact CB-CZ 3.94Å; A718-I798 HydrophobicContact CB-CD1 4.05Å; A718-I798 HydrophobicContact CB-CG1 4.43Å; A718-L849 HydrophobicContact CB-CD1 4.15Å
719K94.5Very high91.1Very high24 Ų2420.9 Ų20.910%0.10411%0.11CC..Hα-helixtrans-63.1-34.3170.9171.5164.4-167.8-177.40112.7E191 V715 R716 C717 R723 A852 V853E191-K719 IonicContact OE1-NZ 2.84Å; E191-K719 VanDerWaalsContact OE2-CE 3.23Å; E191-K719 WeakPolarHBondContact OE2-CE 3.42Å; E191-K719 IonicContact OE2-NZ 2.91Å; E191-K719 PolarHBondContact OE2-NZ 3.47Å; V715-K719 VanDerWaalsContact O-CB 3.24Å; V715-K719 WeakPolarHBondContact O-CB 3.38Å; V715-K719 PolarHBondContact O-N 3.3Å; R716-K719 PolarHBondContact O-N 3.09Å; C717-K719 VanDerWaalsContact C-N 3.28Å; C717-K719 PolarHBondContact O-N 3.46Å; K719-R723 VanDerWaalsContact CE-NH2 3.25Å; K719-R723 WeakPolarHBondContact O-CG 3.46Å; K719-R723 PolarHBondContact O-N 3.04Å; K719-A852 HydrophobicContact CD-CB 4.12Å; K719-A852 VanDerWaalsContact CD-O 3.24Å; K719-A852 WeakPolarHBondContact CD-O 3.22Å; K719-A852 WeakPolarHBondContact CE-O 3.47Å; K719-A852 PolarHBondContact NZ-O 3.18Å; K719-V853 HydrophobicContact CB-CG1 4.05Å; K719-V853 HydrophobicContact CD-CG1 4.05Å; K719-V853 HydrophobicContact CG-CG1 3.76Å
720H92Very high90.5Very high59 Ų5921.8 Ų21.827%0.27312%0.119SC..Hα-helixtrans-67-56.5176.1-177.5-117.8000110.7R716 C717 A718 F722 R723 C724 D801R716-H720 PolarHBondContact O-N 2.83Å; R716-H720 VanDerWaalsContact O-N 3.07Å; C717-H720 WeakPolarHBondContact O-CA 3.34Å; C717-H720 VanDerWaalsContact O-CB 3.3Å; C717-H720 WeakPolarHBondContact O-CB 3.47Å; C717-H720 PolarHBondContact O-N 2.86Å; A718-H720 VanDerWaalsContact C-N 3.31Å; A718-H720 PolarHBondContact O-N 3.16Å; H720-F722 VanDerWaalsContact C-N 3.29Å; H720-F722 PolarHBondContact O-N 3.36Å; H720-R723 PolarHBondContact O-N 2.86Å; H720-R723 VanDerWaalsContact O-N 3.09Å; H720-C724 PolarHBondContact O-N 3.29Å; H720-D801 IonicContact CE1-OD2 3.76Å; H720-D801 IonicContact CG-OD2 3.25Å; H720-D801 IonicContact ND1-OD1 2.88Å; H720-D801 IonicContact ND1-OD2 3.8Å; H720-D801 PolarHBondContact ND1-OD2 2.89Å
721S92.7Very high89.9Confident7 Ų725.3 Ų25.35%0.04915%0.148CC..Hα-helixtrans-52.7-43.9172.9-67.60000112.5C717 R723 C724 Y725 E797C717-S721 PolarHBondContact O-N 3.25Å; S721-R723 VanDerWaalsContact C-N 3.3Å; S721-R723 PolarHBondContact O-N 3.11Å; S721-C724 PolarHBondContact O-N 3.47Å; S721-Y725 WeakPolarHBondContact O-CB 3.45Å; S721-Y725 PolarHBondContact O-N 2.84Å; S721-E797 WeakPolarHBondContact CB-OE2 3.23Å; S721-E797 PolarHBondContact OG-OE2 3.23Å
722F93.9Very high89.5Confident2 Ų229 Ų291%0.00918%0.179CC..Hα-helixtrans-60.6-34.6-179.9-177.6-98.5000113.6A718 H720 L726 I738 F741 V853 I855 M880A718-F722 WeakPolarHBondContact O-CB 3.39Å; A718-F722 PolarHBondContact O-N 3.12Å; H720-F722 VanDerWaalsContact C-N 3.29Å; H720-F722 PolarHBondContact O-N 3.36Å; F722-L726 HydrophobicContact CE1-CD2 3.74Å; F722-L726 HydrophobicContact CZ-CD2 3.75Å; F722-L726 VanDerWaalsContact O-CB 3.28Å; F722-L726 WeakPolarHBondContact O-CB 3.43Å; F722-L726 PolarHBondContact O-N 2.9Å; F722-I738 HydrophobicContact CE2-CG1 4.14Å; F722-I738 HydrophobicContact CZ-CD1 4.48Å; F722-I738 HydrophobicContact CZ-CG1 4.01Å; F722-F741 HydrophobicContact CB-CE1 3.98Å; F722-F741 HydrophobicContact CB-CE2 4.1Å; F722-F741 HydrophobicContact CB-CZ 3.69Å; F722-F741 HydrophobicContact CD2-CB 4.41Å; F722-F741 AromaticContact CD2-CD1 3.63Å; F722-F741 HydrophobicContact CD2-CD1 3.63Å; F722-F741 HydrophobicContact CD2-CD2 4.09Å; F722-F741 AromaticContact CD2-CE1 3.84Å; F722-F741 HydrophobicContact CD2-CE1 3.84Å; F722-F741 HydrophobicContact CD2-CE2 4.26Å; F722-F741 AromaticContact CD2-CG 3.78Å; F722-F741 HydrophobicContact CD2-CG 3.78Å; F722-F741 HydrophobicContact CD2-CZ 4.15Å; F722-F741 HydrophobicContact CE2-CD1 4.34Å; F722-F741 HydrophobicContact CE2-CG 4.38Å; F722-F741 HydrophobicContact CG-CE1 4.36Å; F722-F741 HydrophobicContact CG-CZ 4.44Å; F722-V853 HydrophobicContact CD1-CB 3.74Å; F722-V853 HydrophobicContact CD1-CG1 3.56Å; F722-V853 HydrophobicContact CD1-CG2 4.02Å; F722-V853 HydrophobicContact CE1-CB 3.71Å; F722-V853 HydrophobicContact CE1-CG1 4.09Å; F722-V853 HydrophobicContact CE1-CG2 3.79Å; F722-V853 HydrophobicContact CG-CG1 4.23Å; F722-V853 HydrophobicContact CZ-CG2 4.24Å; F722-I855 HydrophobicContact CE1-CD1 4.48Å; F722-I855 HydrophobicContact CE2-CD1 4Å; F722-I855 HydrophobicContact CZ-CD1 3.76Å; F722-I855 HydrophobicContact CZ-CG1 4.16Å; F722-M880 HydrophobicContact CE1-CE 3.95Å; F722-M880 HydrophobicContact CZ-CE 4.49Å
723R89.4Confident89.2Confident36 Ų3630.3 Ų30.314%0.13619%0.189CC..Hα-helixtrans-66.1-52.1176.8-73.7161.5169.2168.1-8.3111.1E191 K719 H720 S721 Y725 L726 Q727E191-R723 VanDerWaalsContact CD-NH2 3.28Å; E191-R723 IonicContact OE1-NH2 3.99Å; E191-R723 PolarHBondContact OE1-NH2 3.33Å; E191-R723 IonicContact OE2-CZ 3.5Å; E191-R723 IonicContact OE2-NE 3.93Å; E191-R723 IonicContact OE2-NH2 2.71Å; E191-R723 PolarHBondContact OE2-NH2 3.41Å; K719-R723 VanDerWaalsContact CE-NH2 3.25Å; K719-R723 WeakPolarHBondContact O-CG 3.46Å; K719-R723 PolarHBondContact O-N 3.04Å; H720-R723 PolarHBondContact O-N 2.86Å; H720-R723 VanDerWaalsContact O-N 3.09Å; S721-R723 VanDerWaalsContact C-N 3.3Å; S721-R723 PolarHBondContact O-N 3.11Å; R723-Y725 VanDerWaalsContact C-N 3.33Å; R723-Y725 PolarHBondContact O-N 3.25Å; R723-L726 PolarHBondContact O-N 2.88Å; R723-Q727 VanDerWaalsContact O-CG 3.31Å; R723-Q727 WeakPolarHBondContact O-CG 3.48Å; R723-Q727 PolarHBondContact O-N 3.44Å; R723-Q727 VanDerWaalsContact O-N 3.09Å
724C85.5Confident89Confident74 Ų7431.2 Ų31.250%0.519%0.194SC..Hα-helixtrans-60.7-44.4178.5-62.20000111.2H720 S721H720-C724 PolarHBondContact O-N 3.29Å; S721-C724 PolarHBondContact O-N 3.47Å
725Y90.1Very high88.9Confident15 Ų1532.8 Ų32.86%0.05921%0.207CC..Hα-helixtrans-53.2-55.7173.7177.7-95.6000111.6S721 R723 Q727 S728 V729 A737 H740 F741 W786 V789S721-Y725 WeakPolarHBondContact O-CB 3.45Å; S721-Y725 PolarHBondContact O-N 2.84Å; R723-Y725 VanDerWaalsContact C-N 3.33Å; R723-Y725 PolarHBondContact O-N 3.25Å; Y725-Q727 PolarHBondContact O-N 3.31Å; Y725-S728 PolarHBondContact O-N 3.03Å; Y725-S728 VanDerWaalsContact O-N 3.16Å; Y725-S728 PolarHBondContact O-OG 3.49Å; Y725-V729 HydrophobicContact CE1-CG2 4.43Å; Y725-V729 WeakPolarHBondContact O-CG2 3.13Å; Y725-A737 HydrophobicContact CE1-CB 3.93Å; Y725-A737 VanDerWaalsContact CE1-O 3.26Å; Y725-A737 WeakPolarHBondContact CE1-O 3.43Å; Y725-A737 PolarHBondContact OH-O 3.46Å; Y725-H740 PolarHBondContact OH-ND1 3.45Å; Y725-F741 HydrophobicContact CD1-CB 4.31Å; Y725-F741 AromaticContact CD1-CD2 3.83Å; Y725-F741 HydrophobicContact CD1-CD2 3.83Å; Y725-F741 HydrophobicContact CD1-CG 4.4Å; Y725-F741 HydrophobicContact CD2-CD2 4.05Å; Y725-F741 HydrophobicContact CE1-CB 3.77Å; Y725-F741 HydrophobicContact CE1-CD2 4.06Å; Y725-F741 HydrophobicContact CE1-CG 4.33Å; Y725-F741 HydrophobicContact CE2-CD2 4.24Å; Y725-F741 AromaticContact CG-CD2 3.82Å; Y725-F741 HydrophobicContact CG-CD2 3.82Å; Y725-F741 HydrophobicContact CG-CE2 4.36Å; Y725-W786 HydrophobicContact CD2-CB 4.1Å; Y725-W786 HydrophobicContact CE2-CB 3.71Å; Y725-W786 WeakPolarHBondContact CE2-O 3.12Å; Y725-V789 HydrophobicContact CD2-CB 4.48Å; Y725-V789 HydrophobicContact CD2-CG2 3.91Å; Y725-V789 HydrophobicContact CE2-CB 4.17Å; Y725-V789 HydrophobicContact CE2-CG2 3.98Å
726L89.6Confident88.8Confident6 Ų635.2 Ų35.23%0.03122%0.222CC..Hα-helixtrans-72.5-25.9-172-163.164.5000113.7K193 F722 R723 S728 V729 T734 I738 M880K193-L726 HydrophobicContact CB-CD2 4.32Å; F722-L726 HydrophobicContact CE1-CD2 3.74Å; F722-L726 HydrophobicContact CZ-CD2 3.75Å; F722-L726 VanDerWaalsContact O-CB 3.28Å; F722-L726 WeakPolarHBondContact O-CB 3.43Å; F722-L726 PolarHBondContact O-N 2.9Å; R723-L726 PolarHBondContact O-N 2.88Å; L726-S728 PolarHBondContact O-N 2.97Å; L726-V729 HydrophobicContact CD1-CB 4.22Å; L726-V729 HydrophobicContact CD1-CG2 4.27Å; L726-V729 PolarHBondContact O-N 3.19Å; L726-T734 HydrophobicContact CD1-CG2 4.3Å; L726-I738 HydrophobicContact CD1-CD1 4.47Å; L726-I738 HydrophobicContact CD1-CG1 4.07Å; L726-M880 HydrophobicContact CD2-CE 3.62Å; L726-M880 HydrophobicContact CD2-SD 3.56Å; L726-M880 VanDerWaalsContact CD2-SD 3.56Å
727Q84Confident88.6Confident46 Ų4631.8 Ų31.822%0.21521%0.209CC..Hα-helixtrans-61.8-24.7172.2-73.9175.912.700112.9G194 Y195 R723 Y725G194-Q727 PolarHBondContact O-NE2 3.01Å; Y195-Q727 HydrophobicContact CD1-CG 4.4Å; Y195-Q727 HydrophobicContact CD2-CG 4.36Å; Y195-Q727 HydrophobicContact CE1-CG 4.04Å; Y195-Q727 HydrophobicContact CE2-CB 4.5Å; Y195-Q727 HydrophobicContact CE2-CG 3.97Å; R723-Q727 VanDerWaalsContact O-CG 3.31Å; R723-Q727 WeakPolarHBondContact O-CG 3.48Å; R723-Q727 PolarHBondContact O-N 3.44Å; R723-Q727 VanDerWaalsContact O-N 3.09Å; Y725-Q727 PolarHBondContact O-N 3.31Å
728S79.8Confident88.6Confident57 Ų5731.7 Ų31.740%0.39921%0.208SC..THydrogen-bonded Turntrans-86.5-5.4177.874.90000114.6Y725 L726Y725-S728 PolarHBondContact O-N 3.03Å; Y725-S728 VanDerWaalsContact O-N 3.16Å; Y725-S728 PolarHBondContact O-OG 3.49Å; L726-S728 PolarHBondContact O-N 2.97Å
729V84.4Confident88.5Confident18 Ų1831.9 Ų31.911%0.10921%0.21CC..SBendtrans-97.5127.3-170.6179.40000110.8Y725 L726 A737 W786Y725-V729 HydrophobicContact CE1-CG2 4.43Å; Y725-V729 WeakPolarHBondContact O-CG2 3.13Å; L726-V729 HydrophobicContact CD1-CB 4.22Å; L726-V729 HydrophobicContact CD1-CG2 4.27Å; L726-V729 PolarHBondContact O-N 3.19Å; V729-A737 HydrophobicContact CB-CB 4.28Å; V729-A737 HydrophobicContact CG1-CB 3.59Å; V729-A737 HydrophobicContact CG2-CB 3.65Å; V729-W786 HydrophobicContact CG2-CB 4.02Å; V729-W786 HydrophobicContact CG2-CD2 4.2Å; V729-W786 HydrophobicContact CG2-CG 3.74Å
730G76.7Confident88.4Confident19 Ų1931.4 Ų31.420%0.19621%0.208CC..  trans-65154.2173.400000113.5A732 S733 T734 E782G730-A732 VanDerWaalsContact C-N 3.26Å; G730-A732 PolarHBondContact O-N 3.43Å; G730-S733 PolarHBondContact O-N 2.98Å; G730-S733 VanDerWaalsContact O-N 3.09Å; G730-T734 PolarHBondContact O-N 2.9Å; G730-T734 PolarHBondContact O-OG1 3.27Å; G730-E782 WeakPolarHBondContact CA-OE1 3.46Å
731A79.1Confident88.5Confident74 Ų7428.7 Ų28.761%0.61220%0.195SC*.THydrogen-bonded Turntrans-61.8-33.2-17100000113T734A731-T734 PolarHBondContact O-OG1 3.29Å; A731-T734 VanDerWaalsContact O-OG1 3.12Å
732A83.8Confident88.6Confident88 Ų8828.3 Ų28.373%0.72719%0.193SC*.THydrogen-bonded Turntrans-70-36.8177.100000112.3G730 T734G730-A732 VanDerWaalsContact C-N 3.26Å; G730-A732 PolarHBondContact O-N 3.43Å; A732-T734 VanDerWaalsContact C-N 3.34Å; A732-T734 PolarHBondContact O-N 3.38Å
733S87.7Confident88.5Confident29 Ų2928.6 Ų28.620%0.20320%0.195CC..THydrogen-bonded Turntrans-84.7-2.9-174.8-62.40000114.6G730 A735 T736 A737 E782G730-S733 PolarHBondContact O-N 2.98Å; G730-S733 VanDerWaalsContact O-N 3.09Å; S733-A735 PolarHBondContact O-N 3.5Å; S733-T736 PolarHBondContact O-N 2.9Å; S733-A737 WeakPolarHBondContact O-CB 3.46Å; S733-A737 PolarHBondContact O-N 3.46Å; S733-E782 WeakPolarHBondContact CB-OE2 3.34Å; S733-E782 PolarHBondContact OG-OE2 3.32Å
734T89.7Confident88.5Confident19 Ų1927.1 Ų27.112%0.11719%0.189CC..Hα-helixtrans-54.2-49.3-170.5-60.80000113.6L726 G730 A731 A732 A737 I738L726-T734 HydrophobicContact CD1-CG2 4.3Å; G730-T734 PolarHBondContact O-N 2.9Å; G730-T734 PolarHBondContact O-OG1 3.27Å; A731-T734 PolarHBondContact O-OG1 3.29Å; A731-T734 VanDerWaalsContact O-OG1 3.12Å; A732-T734 VanDerWaalsContact C-N 3.34Å; A732-T734 PolarHBondContact O-N 3.38Å; T734-A737 PolarHBondContact O-N 3.18Å; T734-I738 HydrophobicContact CG2-CD1 3.86Å; T734-I738 VanDerWaalsContact O-CG1 3.27Å; T734-I738 WeakPolarHBondContact O-CG1 3.31Å; T734-I738 PolarHBondContact O-N 3.06Å
735A92.4Very high88.8Confident33 Ų3323.7 Ų23.727%0.27317%0.166SC..Hα-helixtrans-65.3-44.2-177.500000112.2S733 A737 I738 A739 A874 I877S733-A735 PolarHBondContact O-N 3.5Å; A735-A737 PolarHBondContact O-N 3.03Å; A735-I738 PolarHBondContact O-N 3.02Å; A735-A739 PolarHBondContact O-N 3.25Å; A735-A874 HydrophobicContact CB-CB 4.22Å; A735-I877 HydrophobicContact CB-CB 4.17Å; A735-I877 HydrophobicContact CB-CG2 4.46Å
736T92.7Very high88.8Confident58 Ų5823 Ų2336%0.35616%0.163SC..Hα-helixtrans-63.3-42.2177.7-43.30000111.6S733 A739 H740 F754S733-T736 PolarHBondContact O-N 2.9Å; T736-A739 PolarHBondContact O-N 3.32Å; T736-H740 WeakPolarHBondContact O-CB 3.42Å; T736-H740 PolarHBondContact O-N 2.93Å; T736-F754 HydrophobicContact CG2-CE1 4.26Å; T736-F754 HydrophobicContact CG2-CZ 3.76Å
737A92.6Very high88.4Confident0 Ų023.2 Ų23.20%017%0.165CC..Hα-helixtrans-65.6-40.1176.800000112.3Y725 V729 S733 T734 A735 H740 F741 W786Y725-A737 HydrophobicContact CE1-CB 3.93Å; Y725-A737 VanDerWaalsContact CE1-O 3.26Å; Y725-A737 WeakPolarHBondContact CE1-O 3.43Å; Y725-A737 PolarHBondContact OH-O 3.46Å; V729-A737 HydrophobicContact CB-CB 4.28Å; V729-A737 HydrophobicContact CG1-CB 3.59Å; V729-A737 HydrophobicContact CG2-CB 3.65Å; S733-A737 WeakPolarHBondContact O-CB 3.46Å; S733-A737 PolarHBondContact O-N 3.46Å; T734-A737 PolarHBondContact O-N 3.18Å; A735-A737 PolarHBondContact O-N 3.03Å; A737-H740 PolarHBondContact O-N 2.83Å; A737-F741 PolarHBondContact O-N 3.41Å; A737-W786 HydrophobicContact CB-CD2 3.96Å; A737-W786 HydrophobicContact CB-CE3 3.62Å; A737-W786 HydrophobicContact CB-CH2 4.07Å; A737-W786 HydrophobicContact CB-CZ2 4.4Å; A737-W786 HydrophobicContact CB-CZ3 3.68Å
738I94.4Very high87.8Confident1 Ų123.2 Ų23.21%0.00517%0.17CC..Hα-helixtrans-63.4-47175.2-68.9169.5000110.6F722 L726 T734 A735 H740 F741 L742 I855 I877 M880F722-I738 HydrophobicContact CE2-CG1 4.14Å; F722-I738 HydrophobicContact CZ-CD1 4.48Å; F722-I738 HydrophobicContact CZ-CG1 4.01Å; L726-I738 HydrophobicContact CD1-CD1 4.47Å; L726-I738 HydrophobicContact CD1-CG1 4.07Å; T734-I738 HydrophobicContact CG2-CD1 3.86Å; T734-I738 VanDerWaalsContact O-CG1 3.27Å; T734-I738 WeakPolarHBondContact O-CG1 3.31Å; T734-I738 PolarHBondContact O-N 3.06Å; A735-I738 PolarHBondContact O-N 3.02Å; I738-H740 VanDerWaalsContact C-N 3.34Å; I738-H740 PolarHBondContact O-N 3.01Å; I738-F741 PolarHBondContact O-N 2.94Å; I738-L742 HydrophobicContact CG2-CD1 4.27Å; I738-L742 HydrophobicContact CG2-CG 4.48Å; I738-L742 WeakPolarHBondContact O-CG 3.44Å; I738-L742 PolarHBondContact O-N 3.43Å; I738-I855 HydrophobicContact CG2-CD1 3.65Å; I738-I855 HydrophobicContact CG2-CG1 3.97Å; I738-I855 HydrophobicContact CG2-CG2 4.06Å; I738-I877 HydrophobicContact CB-CD1 4.47Å; I738-I877 HydrophobicContact CB-CG1 4.25Å; I738-I877 HydrophobicContact CB-CG2 4.28Å; I738-I877 HydrophobicContact CD1-CG2 4.13Å; I738-I877 HydrophobicContact CG2-CD1 3.71Å; I738-I877 HydrophobicContact CG2-CG1 4Å; I738-I877 HydrophobicContact CG2-CG2 4.06Å; I738-M880 HydrophobicContact CD1-SD 4.5Å
739A93.9Very high87.1Confident4 Ų426.2 Ų26.23%0.03318%0.178CC..Hα-helixtrans-59-45.3176.800000111.7A735 T736 F741 L742 N743 F872 T873 I877A735-A739 PolarHBondContact O-N 3.25Å; T736-A739 PolarHBondContact O-N 3.32Å; A739-F741 PolarHBondContact O-N 3.43Å; A739-L742 PolarHBondContact O-N 2.92Å; A739-N743 VanDerWaalsContact O-CG 3.22Å; A739-N743 PolarHBondContact O-N 3.25Å; A739-N743 PolarHBondContact O-ND2 3.27Å; A739-F872 HydrophobicContact CB-CB 4.2Å; A739-T873 WeakPolarHBondContact CB-O 3.29Å; A739-I877 HydrophobicContact CB-CD1 4.5Å; A739-I877 HydrophobicContact CB-CG1 4.15Å
740H92.8Very high85.9Confident14 Ų1427.1 Ų27.17%0.06518%0.183CC..Hα-helixtrans-56.4-48174.3178.6-107.9000112.4Y725 T736 A737 I738 L742 N743 C744 W786 V789Y725-H740 PolarHBondContact OH-ND1 3.45Å; T736-H740 WeakPolarHBondContact O-CB 3.42Å; T736-H740 PolarHBondContact O-N 2.93Å; A737-H740 PolarHBondContact O-N 2.83Å; I738-H740 VanDerWaalsContact C-N 3.34Å; I738-H740 PolarHBondContact O-N 3.01Å; H740-L742 PolarHBondContact O-N 3.34Å; H740-N743 PolarHBondContact O-N 2.98Å; H740-C744 PolarHBondContact O-N 2.85Å; H740-C744 PolarHBondContact O-SG 2.91Å; H740-C744 VanDerWaalsContact O-SG 3.4Å; H740-W786 HydrophobicContact CB-CZ3 4.48Å; H740-V789 PolarHBondContact CE1-O 3.09Å
741F94.1Very high84.7Confident2 Ų232 Ų321%0.00921%0.209CC..Hα-helixtrans-61.1-44.3177.4-171.7-82000112.3F722 Y725 A737 I738 A739 N743 C744 F745 L794 L849F722-F741 HydrophobicContact CB-CE1 3.98Å; F722-F741 HydrophobicContact CB-CE2 4.1Å; F722-F741 HydrophobicContact CB-CZ 3.69Å; F722-F741 HydrophobicContact CD2-CB 4.41Å; F722-F741 AromaticContact CD2-CD1 3.63Å; F722-F741 HydrophobicContact CD2-CD1 3.63Å; F722-F741 HydrophobicContact CD2-CD2 4.09Å; F722-F741 AromaticContact CD2-CE1 3.84Å; F722-F741 HydrophobicContact CD2-CE1 3.84Å; F722-F741 HydrophobicContact CD2-CE2 4.26Å; F722-F741 AromaticContact CD2-CG 3.78Å; F722-F741 HydrophobicContact CD2-CG 3.78Å; F722-F741 HydrophobicContact CD2-CZ 4.15Å; F722-F741 HydrophobicContact CE2-CD1 4.34Å; F722-F741 HydrophobicContact CE2-CG 4.38Å; F722-F741 HydrophobicContact CG-CE1 4.36Å; F722-F741 HydrophobicContact CG-CZ 4.44Å; Y725-F741 HydrophobicContact CD1-CB 4.31Å; Y725-F741 AromaticContact CD1-CD2 3.83Å; Y725-F741 HydrophobicContact CD1-CD2 3.83Å; Y725-F741 HydrophobicContact CD1-CG 4.4Å; Y725-F741 HydrophobicContact CD2-CD2 4.05Å; Y725-F741 HydrophobicContact CE1-CB 3.77Å; Y725-F741 HydrophobicContact CE1-CD2 4.06Å; Y725-F741 HydrophobicContact CE1-CG 4.33Å; Y725-F741 HydrophobicContact CE2-CD2 4.24Å; Y725-F741 AromaticContact CG-CD2 3.82Å; Y725-F741 HydrophobicContact CG-CD2 3.82Å; Y725-F741 HydrophobicContact CG-CE2 4.36Å; A737-F741 PolarHBondContact O-N 3.41Å; I738-F741 PolarHBondContact O-N 2.94Å; A739-F741 PolarHBondContact O-N 3.43Å; F741-N743 VanDerWaalsContact C-N 3.33Å; F741-N743 PolarHBondContact O-N 3.28Å; F741-C744 PolarHBondContact O-N 2.72Å; F741-F745 HydrophobicContact CD1-CB 4.43Å; F741-F745 HydrophobicContact CE1-CB 4.3Å; F741-F745 WeakPolarHBondContact O-CB 3.2Å; F741-F745 PolarHBondContact O-N 2.92Å; F741-L794 HydrophobicContact CE1-CD2 4.31Å; F741-L794 HydrophobicContact CE2-CD1 3.78Å; F741-L794 HydrophobicContact CE2-CD2 4.1Å; F741-L794 HydrophobicContact CZ-CD1 3.81Å; F741-L794 HydrophobicContact CZ-CD2 3.97Å; F741-L849 HydrophobicContact CE1-CD2 4.1Å
742L93.8Very high83.3Confident0 Ų031.5 Ų31.50%020%0.201CC..Hα-helixtrans-63.6-38.3178.2-68.9179.5000112.2I738 A739 H740 F745 L746 L846 L849 I855 V857 F872 I877I738-L742 HydrophobicContact CG2-CD1 4.27Å; I738-L742 HydrophobicContact CG2-CG 4.48Å; I738-L742 WeakPolarHBondContact O-CG 3.44Å; I738-L742 PolarHBondContact O-N 3.43Å; A739-L742 PolarHBondContact O-N 2.92Å; H740-L742 PolarHBondContact O-N 3.34Å; L742-F745 PolarHBondContact O-N 2.78Å; L742-L746 WeakPolarHBondContact O-CB 3.48Å; L742-L746 PolarHBondContact O-N 2.98Å; L742-L746 VanDerWaalsContact O-N 3.15Å; L742-L846 HydrophobicContact CD1-CD1 4.27Å; L742-L846 HydrophobicContact CD2-CD1 3.99Å; L742-L849 HydrophobicContact CD2-CD2 3.98Å; L742-I855 HydrophobicContact CD2-CD1 4.37Å; L742-V857 HydrophobicContact CD1-CG2 4.43Å; L742-F872 HydrophobicContact CB-CD2 3.72Å; L742-F872 HydrophobicContact CB-CE2 4.17Å; L742-F872 HydrophobicContact CB-CG 4.18Å; L742-F872 HydrophobicContact CD1-CD1 4.41Å; L742-F872 HydrophobicContact CD1-CG 4.36Å; L742-I877 HydrophobicContact CD1-CD1 4.01Å
743N91.4Very high81.8Confident8 Ų833.4 Ų33.44%0.04320%0.198CC..Hα-helixtrans-62.4-48.8173.5-66.7-40.9000110.7A739 H740 F741 F745 L746 T747 V750 P871 F872A739-N743 VanDerWaalsContact O-CG 3.22Å; A739-N743 PolarHBondContact O-N 3.25Å; A739-N743 PolarHBondContact O-ND2 3.27Å; H740-N743 PolarHBondContact O-N 2.98Å; F741-N743 VanDerWaalsContact C-N 3.33Å; F741-N743 PolarHBondContact O-N 3.28Å; N743-F745 VanDerWaalsContact C-N 3.29Å; N743-F745 PolarHBondContact O-N 3.18Å; N743-L746 PolarHBondContact O-N 2.86Å; N743-T747 PolarHBondContact O-N 3.17Å; N743-T747 PolarHBondContact O-OG1 2.99Å; N743-V750 HydrophobicContact CB-CG1 4.26Å; N743-V750 HydrophobicContact CB-CG2 3.78Å; N743-P871 WeakPolarHBondContact OD1-CD 3.33Å; N743-P871 WeakPolarHBondContact OD1-CG 3.39Å; N743-F872 PolarHBondContact ND2-O 2.85Å; N743-F872 WeakPolarHBondContact OD1-CD2 3.43Å; N743-F872 PolarHBondContact OD1-N 2.81Å
744C90.1Very high80Confident4 Ų436.1 Ų36.13%0.02721%0.206CC..Hα-helixtrans-63.3-32177.4-67.40000113.2H740 F741 V789 S791 L794H740-C744 PolarHBondContact O-N 2.85Å; H740-C744 PolarHBondContact O-SG 2.91Å; H740-C744 VanDerWaalsContact O-SG 3.4Å; F741-C744 PolarHBondContact O-N 2.72Å; C744-V789 PolarHBondContact SG-O 2.79Å; C744-S791 WeakPolarHBondContact CA-OG 3.1Å; C744-S791 WeakPolarHBondContact O-CA 3.46Å; C744-S791 VanDerWaalsContact O-CB 3.3Å; C744-S791 WeakPolarHBondContact O-CB 3.48Å; C744-S791 PolarHBondContact O-OG 2.87Å; C744-L794 HydrophobicContact CB-CD2 4.2Å
745F92.5Very high77.3Confident2 Ų240.8 Ų40.81%0.00923%0.234CC..Hα-helixtrans-79.2-21.3179.7179.9-115.1000114.3I714 A718 F741 L742 N743 L794 I798 I831 L845 L849I714-F745 HydrophobicContact CG2-CE2 3.89Å; I714-F745 HydrophobicContact CG2-CZ 4.01Å; A718-F745 HydrophobicContact CB-CD2 3.91Å; A718-F745 HydrophobicContact CB-CE2 3.47Å; A718-F745 VanDerWaalsContact CB-CE2 3.47Å; A718-F745 HydrophobicContact CB-CZ 3.94Å; F741-F745 HydrophobicContact CD1-CB 4.43Å; F741-F745 HydrophobicContact CE1-CB 4.3Å; F741-F745 WeakPolarHBondContact O-CB 3.2Å; F741-F745 PolarHBondContact O-N 2.92Å; L742-F745 PolarHBondContact O-N 2.78Å; N743-F745 VanDerWaalsContact C-N 3.29Å; N743-F745 PolarHBondContact O-N 3.18Å; F745-L794 HydrophobicContact CB-CD2 3.92Å; F745-L794 HydrophobicContact CD2-CD2 4.41Å; F745-I798 HydrophobicContact CD2-CD1 3.95Å; F745-I798 HydrophobicContact CE2-CD1 3.9Å; F745-I831 VanDerWaalsContact O-CG2 3.3Å; F745-I831 WeakPolarHBondContact O-CG2 3.29Å; F745-L845 HydrophobicContact CE1-CB 4.17Å; F745-L845 HydrophobicContact CZ-CB 4.37Å; F745-L849 HydrophobicContact CD1-CD2 3.49Å; F745-L849 VanDerWaalsContact CD1-CD2 3.49Å; F745-L849 HydrophobicContact CE1-CB 4.25Å; F745-L849 HydrophobicContact CE1-CD2 3.69Å; F745-L849 HydrophobicContact CG-CD2 4.12Å; F745-L849 HydrophobicContact CZ-CD2 4.45Å
746L89Confident74.3Confident1 Ų144.9 Ų44.91%0.00525%0.252CS..Hα-helixtrans-121-10-172.3-63168.6000114.3L742 N743 K842 L845 L846 F872L742-L746 WeakPolarHBondContact O-CB 3.48Å; L742-L746 PolarHBondContact O-N 2.98Å; L742-L746 VanDerWaalsContact O-N 3.15Å; N743-L746 PolarHBondContact O-N 2.86Å; L746-K842 HydrophobicContact CD2-CB 4.42Å; L746-K842 WeakPolarHBondContact O-CE 3.2Å; L746-K842 PolarHBondContact O-NZ 3.49Å; L746-L845 HydrophobicContact CD2-CB 4.39Å; L746-L846 HydrophobicContact CD1-CB 3.82Å; L746-L846 HydrophobicContact CD1-CD1 3.73Å; L746-L846 HydrophobicContact CD1-CG 4.23Å; L746-F872 HydrophobicContact CD1-CE2 3.81Å; L746-F872 HydrophobicContact CD1-CZ 4.26Å
747T82.3Confident71.3Confident10 Ų1046.9 Ų46.96%0.06127%0.268CS..  trans-134.7144.1-179.771.20000110.4N743 V750 S791 P871N743-T747 PolarHBondContact O-N 3.17Å; N743-T747 PolarHBondContact O-OG1 2.99Å; T747-V750 WeakPolarHBondContact OG1-CG2 3.4Å; T747-S791 VanDerWaalsContact O-CB 3.22Å; T747-S791 WeakPolarHBondContact O-CB 3.25Å; T747-S791 PolarHBondContact O-OG 3.34Å; T747-P871 HydrophobicContact CG2-CG 3.86Å
748S71.1Confident68.6Low46 Ų4653.4 Ų53.432%0.32230%0.303SS..SBendtrans-90.8-13.5-171.4-59.80000114.4S830 T832S748-S830 WeakPolarHBondContact OG-CB 3.37Å; S748-S830 PolarHBondContact OG-OG 2.99Å; S748-T832 VanDerWaalsContact OG-CG2 3.22Å; S748-T832 WeakPolarHBondContact OG-CG2 3.35Å; S748-T832 PolarHBondContact OG-OG1 3.07Å
749E64.2Low65.8Low121 Ų12158.6 Ų58.657%0.56533%0.331SS*.  trans-134.470.2-173.8-69.1174.4165.900110.6
750V59Low63.1Low37 Ų3762.6 Ų62.622%0.22436%0.364CS..  trans-87.6112.7170.5-171.50000109N743 T747 S752N743-V750 HydrophobicContact CB-CG1 4.26Å; N743-V750 HydrophobicContact CB-CG2 3.78Å; T747-V750 WeakPolarHBondContact OG1-CG2 3.4Å; V750-S752 PolarHBondContact O-N 3.07Å
751V52Low60.6Low122 Ų12266.2 Ų66.274%0.73940%0.396SS*.  trans-67.2119.6161.2-179.70000107I753V751-I753 WeakPolarHBondContact O-CG1 3.09Å; V751-I753 PolarHBondContact O-N 2.95Å
752S50.6Low58.2Low62 Ų6270.1 Ų70.143%0.43443%0.429SS..  trans-63.2111.8176.451.30000109.2V750 F754V750-S752 PolarHBondContact O-N 3.07Å; S752-F754 PolarHBondContact O-N 2.83Å
753I50.7Low55.5Low129 Ų12979.3 Ų79.366%0.66247%0.469SS*.  trans-71.90.7-176.7-52.4-178.9000111.4V751 T755 A870V751-I753 WeakPolarHBondContact O-CG1 3.09Å; V751-I753 PolarHBondContact O-N 2.95Å; I753-T755 PolarHBondContact O-N 2.82Å; I753-A870 HydrophobicContact CD1-CB 4.31Å
754F49.7Very low52.9Low86 Ų8689.9 Ų89.938%0.37751%0.508SS..  trans-76.755.6171.9-61.2-75.4000113T736 S752 W786 A787T736-F754 HydrophobicContact CG2-CE1 4.26Å; T736-F754 HydrophobicContact CG2-CZ 3.76Å; S752-F754 PolarHBondContact O-N 2.83Å; F754-W786 AromaticContact CE1-CH2 3.83Å; F754-W786 HydrophobicContact CE1-CH2 3.83Å; F754-W786 HydrophobicContact CE1-CZ3 4.34Å; F754-W786 HydrophobicContact CE2-CH2 4.08Å; F754-W786 AromaticContact CE2-CZ3 3.73Å; F754-W786 HydrophobicContact CE2-CZ3 3.73Å; F754-W786 AromaticContact CZ-CH2 3.33Å; F754-W786 HydrophobicContact CZ-CH2 3.33Å; F754-W786 HydrophobicContact CZ-CZ2 4.48Å; F754-W786 AromaticContact CZ-CZ3 3.44Å; F754-W786 HydrophobicContact CZ-CZ3 3.44Å; F754-W786 VanDerWaalsContact CZ-CZ3 3.44Å; F754-A787 HydrophobicContact CB-CB 4.47Å; F754-A787 HydrophobicContact CD2-CB 3.51Å; F754-A787 HydrophobicContact CE2-CB 3.85Å; F754-A787 HydrophobicContact CG-CB 3.95Å
755T33Very low50.5Low116 Ų11699.3 Ų99.371%0.71255%0.548SS*.SBendtrans-90.8118.4150.851.90000107.7I753 S757I753-T755 PolarHBondContact O-N 2.82Å; T755-S757 PolarHBondContact O-N 3.45Å
756N30Very low48Very low120 Ų120104.2 Ų104.264%0.64258%0.583SS**  trans-5797.8177.6-71.313.5000110.6D759N756-D759 HydrophobicContact CB-CB 4.42Å; N756-D759 PolarHBondContact ND2-OD2 3.48Å
757S30.8Very low45.7Very low99 Ų99113.8 Ų113.869%0.69263%0.625SS**SBendtrans-78.8-20.1-176.9-171.10000113.3T755T755-S757 PolarHBondContact O-N 3.45Å
758D35.1Very low43.6Very low138 Ų138122.7 Ų122.774%0.73866%0.662SS**SBendtrans-102.9-22.8-170.4-65.4-30.3000114.3A760 A761D758-A760 VanDerWaalsContact C-N 3.26Å; D758-A760 PolarHBondContact O-N 3.29Å; D758-A761 PolarHBondContact O-N 3.19Å
759D36.7Very low41.9Very low109 Ų109130.5 Ų130.558%0.58369%0.685SS**THydrogen-bonded Turntrans-70.4-18.5-178.9-81.1-41.2000114.1N756N756-D759 HydrophobicContact CB-CB 4.42Å; N756-D759 PolarHBondContact ND2-OD2 3.48Å
760A36.1Very low40.7Very low89 Ų89131.8 Ų131.874%0.73670%0.696SS**THydrogen-bonded Turntrans-75.3-24.3179.500000113.2D758D758-A760 VanDerWaalsContact C-N 3.26Å; D758-A760 PolarHBondContact O-N 3.29Å
761A41.1Very low39.5Very low89 Ų89140.3 Ų140.374%0.73673%0.73SS**THydrogen-bonded Turntrans-83.7-24.2-174.100000114D758 K763D758-A761 PolarHBondContact O-N 3.19Å; A761-K763 PolarHBondContact O-N 3.39Å
762A42.4Very low38.6Very low84 Ų84139.4 Ų139.469%0.69474%0.735SS**THydrogen-bonded Turntrans-80-12.5-167.800000115.8R764A762-R764 PolarHBondContact O-N 2.99Å
763K37.1Very low37.7Very low194 Ų194141.9 Ų141.984%0.84375%0.753SS**THydrogen-bonded Turntrans-84.416.5-168.4-83.7-178.9176.8170.90116.9A761A761-K763 PolarHBondContact O-N 3.39Å
764R37.6Very low37Very low230 Ų230144.7 Ų144.787%0.86876%0.762SS**  trans-140.782.8178.1-80.9-177.7161.7170.4-5.9114.6A762A762-R764 PolarHBondContact O-N 2.99Å
765K39.7Very low36.1Very low201 Ų201145.3 Ų145.387%0.87478%0.784SS**  trans-179.9133.5138.7-97.9152.2-173.4179.80114
766S40.6Very low36Very low105 Ų105144.7 Ų144.773%0.73478%0.776SS**  trans31.9114.5156.955.20000120.7
767K39.3Very low36.1Very low203 Ų203148.1 Ų148.188%0.88379%0.788SS**  49.493.378.2-79.2-174.9170.5176.70116.5
768K38.1Very low35.9Very low196 Ų196153 Ų15385%0.85279%0.791SS**  176.1144122.2-105175.5176174.60115
769R36.1Very low35.7Very low210 Ų210154.2 Ų154.279%0.79280%0.796SS**  trans67.4104.1153.6-66.817893.1161.74.4121.7
770N38.5Very low35.4Very low148 Ų148153.3 Ų153.379%0.79180%0.796SS**  78.3126.6119.7-63.814000122.6
771K33.8Very low35.8Very low216 Ų216155 Ų15594%0.93980%0.8SS**  trans-54.4139.3169.3-66.4169.5168.4178.60114.1
772A34.4Very low36.4Very low104 Ų104154.8 Ų154.886%0.8678%0.784SS**  trans-147.8143.7137.800000108
773S31.7Very low37.3Very low114 Ų114152 Ų15280%0.79776%0.759SS**  trans-98.4125.1-172.249.90000112.3
774H34.8Very low39.1Very low187 Ų187147.4 Ų147.487%0.86675%0.748SS**  trans-140.6130.8154.6-107.2-82.3000108.5D776H774-D776 PolarHBondContact O-N 3.46Å
775A31.8Very low40.9Very low100 Ų100140.6 Ų140.683%0.82673%0.725SS**  trans-75.6112.6173.500000108.5
776D29.6Very low42.9Very low102 Ų102131.4 Ų131.455%0.54569%0.685SS.*  trans-106.9119.1-176.1-167.319.1000108.1H774 R778H774-D776 PolarHBondContact O-N 3.46Å; D776-R778 PolarHBondContact O-N 2.85Å; D776-R778 IonicContact OD2-CZ 2.73Å; D776-R778 VanDerWaalsContact OD2-CZ 3.23Å; D776-R778 IonicContact OD2-NE 2.71Å; D776-R778 PolarHBondContact OD2-NE 3.36Å; D776-R778 IonicContact OD2-NH2 2.8Å; D776-R778 PolarHBondContact OD2-NH2 2.72Å
777H32Very low45Very low192 Ų192127.2 Ų127.289%0.88966%0.657SS**  trans-72.671-177.3-80.1-78.6000111.2
778R28.1Very low47.2Very low203 Ų203124.7 Ų124.777%0.76665%0.646SS**PPolyproline II helixtrans-80.6131.6173.6-63.1-174-173.4-167.10.4109.9D776D776-R778 PolarHBondContact O-N 2.85Å; D776-R778 IonicContact OD2-CZ 2.73Å; D776-R778 VanDerWaalsContact OD2-CZ 3.23Å; D776-R778 IonicContact OD2-NE 2.71Å; D776-R778 PolarHBondContact OD2-NE 3.36Å; D776-R778 IonicContact OD2-NH2 2.8Å; D776-R778 PolarHBondContact OD2-NH2 2.72Å
779L29.5Very low49.6Very low162 Ų162116.6 Ų116.685%0.84861%0.613SS**PPolyproline II helixtrans-52.2148172.9-71.9131.5000110.5
780P32Very low52.1Low90 Ų90109.1 Ų109.158%0.58459%0.593SS**PPolyproline II helixtrans-53.2145.1169.4-22.132.8000110.4E782P780-E782 PolarHBondContact O-N 2.7Å
781P43.5Very low54.4Low125 Ų125102.8 Ų102.881%0.81256%0.56SS**PPolyproline II helixtrans-55.6133.4174.723.8-33000110.1S783P781-S783 PolarHBondContact O-N 3.42Å
782E53.7Low57Low85 Ų8599.4 Ų99.440%0.39755%0.546SS..PPolyproline II helixtrans-55.2129.9-178.2-67.3-166.4160.100110.2G730 S733 P780 T784G730-E782 WeakPolarHBondContact CA-OE1 3.46Å; S733-E782 WeakPolarHBondContact CB-OE2 3.34Å; S733-E782 PolarHBondContact OG-OE2 3.32Å; P780-E782 PolarHBondContact O-N 2.7Å; E782-T784 PolarHBondContact O-N 3.37Å
783S61.3Low59.8Low24 Ų2496.1 Ų96.117%0.16852%0.516CS..PPolyproline II helixtrans-63122.7177.2-175.70000109.9P781 E785 W786P781-S783 PolarHBondContact O-N 3.42Å; S783-E785 VanDerWaalsContact C-N 3.31Å; S783-E785 WeakPolarHBondContact OG-CG 3.45Å; S783-E785 PolarHBondContact OG-N 3.18Å; S783-W786 PolarHBondContact O-NE1 3.32Å
784T74.2Confident62.6Low99 Ų9990.8 Ų90.861%0.60748%0.479SS*.  trans-921217555.60000112.6E782 W786 A787E782-T784 PolarHBondContact O-N 3.37Å; T784-W786 VanDerWaalsContact C-N 3.26Å; T784-W786 PolarHBondContact O-N 3.23Å; T784-A787 VanDerWaalsContact O-CB 3.24Å; T784-A787 WeakPolarHBondContact O-CB 3.31Å; T784-A787 PolarHBondContact O-N 2.92Å
785E75.5Confident65.4Low86 Ų8682.4 Ų82.440%0.40244%0.439SS..G310 helixtrans-65-26.6-174.8-67.6-157.7113.700114.4S783 A787 K788S783-E785 VanDerWaalsContact C-N 3.31Å; S783-E785 WeakPolarHBondContact OG-CG 3.45Å; S783-E785 PolarHBondContact OG-N 3.18Å; E785-A787 PolarHBondContact O-N 3.31Å; E785-K788 HydrophobicContact CB-CD 4.38Å; E785-K788 VanDerWaalsContact O-CB 3.23Å; E785-K788 WeakPolarHBondContact O-CB 3.46Å; E785-K788 WeakPolarHBondContact O-CG 3.22Å; E785-K788 PolarHBondContact O-N 2.83Å; E785-K788 IonicContact OE1-NZ 3.37Å; E785-K788 PolarHBondContact OE1-NZ 2.85Å
786W82.6Confident68.3Low9 Ų983.1 Ų83.13%0.03443%0.426CS..G310 helixtrans-57.9-27.3171.454.5-94.9000112.7Y725 V729 A737 H740 F754 S783 T784 K788 V789Y725-W786 HydrophobicContact CD2-CB 4.1Å; Y725-W786 HydrophobicContact CE2-CB 3.71Å; Y725-W786 WeakPolarHBondContact CE2-O 3.12Å; V729-W786 HydrophobicContact CG2-CB 4.02Å; V729-W786 HydrophobicContact CG2-CD2 4.2Å; V729-W786 HydrophobicContact CG2-CG 3.74Å; A737-W786 HydrophobicContact CB-CD2 3.96Å; A737-W786 HydrophobicContact CB-CE3 3.62Å; A737-W786 HydrophobicContact CB-CH2 4.07Å; A737-W786 HydrophobicContact CB-CZ2 4.4Å; A737-W786 HydrophobicContact CB-CZ3 3.68Å; H740-W786 HydrophobicContact CB-CZ3 4.48Å; F754-W786 AromaticContact CE1-CH2 3.83Å; F754-W786 HydrophobicContact CE1-CH2 3.83Å; F754-W786 HydrophobicContact CE1-CZ3 4.34Å; F754-W786 HydrophobicContact CE2-CH2 4.08Å; F754-W786 AromaticContact CE2-CZ3 3.73Å; F754-W786 HydrophobicContact CE2-CZ3 3.73Å; F754-W786 AromaticContact CZ-CH2 3.33Å; F754-W786 HydrophobicContact CZ-CH2 3.33Å; F754-W786 HydrophobicContact CZ-CZ2 4.48Å; F754-W786 AromaticContact CZ-CZ3 3.44Å; F754-W786 HydrophobicContact CZ-CZ3 3.44Å; F754-W786 VanDerWaalsContact CZ-CZ3 3.44Å; S783-W786 PolarHBondContact O-NE1 3.32Å; T784-W786 VanDerWaalsContact C-N 3.26Å; T784-W786 PolarHBondContact O-N 3.23Å; W786-K788 PolarHBondContact O-N 2.88Å; W786-V789 PolarHBondContact O-N 2.85Å
787A84.3Confident71.3Confident17 Ų1782 Ų8214%0.1442%0.417CS..G310 helixtrans-69.4-9175.100000113.7F754 T784 E785 V789F754-A787 HydrophobicContact CB-CB 4.47Å; F754-A787 HydrophobicContact CD2-CB 3.51Å; F754-A787 HydrophobicContact CE2-CB 3.85Å; F754-A787 HydrophobicContact CG-CB 3.95Å; T784-A787 VanDerWaalsContact O-CB 3.24Å; T784-A787 WeakPolarHBondContact O-CB 3.31Å; T784-A787 PolarHBondContact O-N 2.92Å; E785-A787 PolarHBondContact O-N 3.31Å; A787-V789 VanDerWaalsContact C-N 3.34Å
788K86.1Confident74.3Confident149 Ų14973 Ų7365%0.64838%0.375SS*.G310 helixtrans-79-14.7174.8-59.2172.9-179.9176.80113.2E785 W786 S790E785-K788 HydrophobicContact CB-CD 4.38Å; E785-K788 VanDerWaalsContact O-CB 3.23Å; E785-K788 WeakPolarHBondContact O-CB 3.46Å; E785-K788 WeakPolarHBondContact O-CG 3.22Å; E785-K788 PolarHBondContact O-N 2.83Å; E785-K788 IonicContact OE1-NZ 3.37Å; E785-K788 PolarHBondContact OE1-NZ 2.85Å; W786-K788 PolarHBondContact O-N 2.88Å; K788-S790 PolarHBondContact O-N 2.69Å
789V87.3Confident77.4Confident26 Ų2664.1 Ų64.116%0.15834%0.344CS..  trans-70.2118.3-177.8177.80000110.6Y725 H740 C744 W786 A787 L794Y725-V789 HydrophobicContact CD2-CB 4.48Å; Y725-V789 HydrophobicContact CD2-CG2 3.91Å; Y725-V789 HydrophobicContact CE2-CB 4.17Å; Y725-V789 HydrophobicContact CE2-CG2 3.98Å; H740-V789 PolarHBondContact CE1-O 3.09Å; C744-V789 PolarHBondContact SG-O 2.79Å; W786-V789 PolarHBondContact O-N 2.85Å; A787-V789 VanDerWaalsContact C-N 3.34Å; V789-L794 HydrophobicContact CG1-CB 4.16Å
790S88.5Confident80.5Confident54 Ų5463.8 Ų63.838%0.37834%0.336SS..  trans-102.2161.8176.469.40000111.8K788 K792 S793 L794K788-S790 PolarHBondContact O-N 2.69Å; S790-K792 PolarHBondContact O-N 2.79Å; S790-S793 PolarHBondContact N-OG 2.97Å; S790-S793 PolarHBondContact O-N 2.94Å; S790-S793 PolarHBondContact O-OG 3.38Å; S790-S793 PolarHBondContact OG-N 3.31Å; S790-S793 VanDerWaalsContact OG-N 3.08Å; S790-S793 PolarHBondContact OG-OG 2.66Å; S790-L794 WeakPolarHBondContact O-CB 3.36Å; S790-L794 PolarHBondContact O-N 2.84Å
791S88.6Confident83.4Confident14 Ų1460.4 Ų60.410%0.09831%0.313CS..Hα-helixtrans-54.2-36.5172.4-43.40000112.7C744 T747 W795C744-S791 WeakPolarHBondContact CA-OG 3.1Å; C744-S791 WeakPolarHBondContact O-CA 3.46Å; C744-S791 VanDerWaalsContact O-CB 3.3Å; C744-S791 WeakPolarHBondContact O-CB 3.48Å; C744-S791 PolarHBondContact O-OG 2.87Å; T747-S791 VanDerWaalsContact O-CB 3.22Å; T747-S791 WeakPolarHBondContact O-CB 3.25Å; T747-S791 PolarHBondContact O-OG 3.34Å; S791-W795 WeakPolarHBondContact O-CB 3.35Å; S791-W795 PolarHBondContact O-N 3.32Å
792K88.6Confident85.8Confident146 Ų14654.4 Ų54.464%0.63527%0.274SS*.Hα-helixtrans-71.7-44.5179.4-173.2176.8-178.5178.20112.5S790 W795 Q796S790-K792 PolarHBondContact O-N 2.79Å; K792-W795 PolarHBondContact O-N 3.29Å; K792-Q796 VanDerWaalsContact O-CG 3.3Å; K792-Q796 WeakPolarHBondContact O-CG 3.4Å; K792-Q796 PolarHBondContact O-N 2.92Å
793S91.4Very high87.7Confident34 Ų3454.9 Ų54.924%0.23828%0.277CS..Hα-helixtrans-67.4-40.8177.257.70000111.2S790 W795 Q796 E797S790-S793 PolarHBondContact N-OG 2.97Å; S790-S793 PolarHBondContact O-N 2.94Å; S790-S793 PolarHBondContact O-OG 3.38Å; S790-S793 PolarHBondContact OG-N 3.31Å; S790-S793 VanDerWaalsContact OG-N 3.08Å; S790-S793 PolarHBondContact OG-OG 2.66Å; S793-W795 PolarHBondContact O-N 2.89Å; S793-Q796 WeakPolarHBondContact O-CB 3.03Å; S793-Q796 PolarHBondContact O-N 2.87Å; S793-E797 PolarHBondContact O-N 3.41Å
794L92.4Very high89.2Confident2 Ų255.9 Ų55.91%0.0128%0.283CS..Hα-helixtrans-63.4-40.4175.5-177.560.5000112.2F741 C744 F745 V789 S790 Q796 E797 I798F741-L794 HydrophobicContact CE1-CD2 4.31Å; F741-L794 HydrophobicContact CE2-CD1 3.78Å; F741-L794 HydrophobicContact CE2-CD2 4.1Å; F741-L794 HydrophobicContact CZ-CD1 3.81Å; F741-L794 HydrophobicContact CZ-CD2 3.97Å; C744-L794 HydrophobicContact CB-CD2 4.2Å; F745-L794 HydrophobicContact CB-CD2 3.92Å; F745-L794 HydrophobicContact CD2-CD2 4.41Å; V789-L794 HydrophobicContact CG1-CB 4.16Å; S790-L794 WeakPolarHBondContact O-CB 3.36Å; S790-L794 PolarHBondContact O-N 2.84Å; L794-Q796 VanDerWaalsContact C-N 3.34Å; L794-Q796 PolarHBondContact O-N 3.5Å; L794-E797 PolarHBondContact O-N 3.33Å; L794-I798 HydrophobicContact CD1-CD1 4.35Å; L794-I798 HydrophobicContact CG-CD1 4.07Å; L794-I798 WeakPolarHBondContact O-CB 3.19Å; L794-I798 VanDerWaalsContact O-CG1 3.3Å; L794-I798 WeakPolarHBondContact O-CG1 3.35Å; L794-I798 PolarHBondContact O-N 3.47Å
795W92.5Very high90Very high12 Ų1253.2 Ų53.25%0.04526%0.263CS..Hα-helixtrans-64.5-37.6174.1-176.2-114.4000112.4I714 S791 K792 S793 I798 C799 F810 V828 I831 F834I714-W795 HydrophobicContact CD1-CH2 4.27Å; I714-W795 HydrophobicContact CD1-CZ3 4.31Å; S791-W795 WeakPolarHBondContact O-CB 3.35Å; S791-W795 PolarHBondContact O-N 3.32Å; K792-W795 PolarHBondContact O-N 3.29Å; S793-W795 PolarHBondContact O-N 2.89Å; W795-I798 HydrophobicContact CE3-CB 4.49Å; W795-I798 HydrophobicContact CE3-CG2 4.23Å; W795-I798 HydrophobicContact CZ3-CG2 4.11Å; W795-I798 PolarHBondContact O-N 3.04Å; W795-C799 WeakPolarHBondContact O-CB 3.35Å; W795-C799 PolarHBondContact O-N 3.11Å; W795-C799 PolarHBondContact O-SG 3.35Å; W795-F810 HydrophobicContact CH2-CB 4.39Å; W795-F810 HydrophobicContact CH2-CG 4.38Å; W795-F810 HydrophobicContact CZ2-CB 4.07Å; W795-V828 HydrophobicContact CH2-CG1 4.23Å; W795-V828 HydrophobicContact CZ2-CB 4.43Å; W795-V828 HydrophobicContact CZ2-CG1 3.44Å; W795-V828 VanDerWaalsContact CZ2-CG1 3.44Å; W795-V828 PolarHBondContact NE1-O 3.38Å; W795-I831 HydrophobicContact CE3-CB 4.06Å; W795-I831 HydrophobicContact CE3-CD1 4.23Å; W795-I831 HydrophobicContact CH2-CD1 4.43Å; W795-I831 HydrophobicContact CZ3-CB 4.21Å; W795-I831 HydrophobicContact CZ3-CD1 3.61Å; W795-F834 HydrophobicContact CH2-CB 4.04Å; W795-F834 HydrophobicContact CH2-CG 4.41Å
796Q92.5Very high90.9Very high115 Ų11550.3 Ų50.354%0.53725%0.248SC..Hα-helixtrans-65.2-41175.2-73.4173.1-14.700112.4K792 S793 L794 C799 K800K792-Q796 VanDerWaalsContact O-CG 3.3Å; K792-Q796 WeakPolarHBondContact O-CG 3.4Å; K792-Q796 PolarHBondContact O-N 2.92Å; S793-Q796 WeakPolarHBondContact O-CB 3.03Å; S793-Q796 PolarHBondContact O-N 2.87Å; L794-Q796 VanDerWaalsContact C-N 3.34Å; L794-Q796 PolarHBondContact O-N 3.5Å; Q796-C799 PolarHBondContact O-N 3.39Å; Q796-K800 WeakPolarHBondContact O-CB 3.39Å; Q796-K800 PolarHBondContact O-N 2.97Å
797E92.6Very high91.3Very high79 Ų7951.4 Ų51.437%0.36926%0.259SS..Hα-helixtrans-61-49.4171.3-73.7176.5-162.800111.6S721 S793 L794 C799 K800 D801S721-E797 WeakPolarHBondContact CB-OE2 3.23Å; S721-E797 PolarHBondContact OG-OE2 3.23Å; S793-E797 PolarHBondContact O-N 3.41Å; L794-E797 PolarHBondContact O-N 3.33Å; E797-C799 VanDerWaalsContact C-N 3.27Å; E797-C799 PolarHBondContact O-N 3.23Å; E797-K800 WeakPolarHBondContact O-CB 3.45Å; E797-K800 PolarHBondContact O-N 3.18Å; E797-D801 WeakPolarHBondContact O-CB 3.47Å; E797-D801 PolarHBondContact O-N 2.97Å
798I94.5Very high91.6Very high2 Ų251.1 Ų51.11%0.0125%0.254CS..Hα-helixtrans-56.6-42.2177.3-72.6166.2000111.2I714 C717 A718 F745 L794 W795 A802I714-I798 HydrophobicContact CG1-CG2 4.43Å; I714-I798 HydrophobicContact CG2-CG2 4.41Å; C717-I798 HydrophobicContact CB-CB 4.32Å; C717-I798 HydrophobicContact CB-CG1 4.26Å; C717-I798 HydrophobicContact CB-CG2 4.05Å; A718-I798 HydrophobicContact CB-CD1 4.05Å; A718-I798 HydrophobicContact CB-CG1 4.43Å; F745-I798 HydrophobicContact CD2-CD1 3.95Å; F745-I798 HydrophobicContact CE2-CD1 3.9Å; L794-I798 HydrophobicContact CD1-CD1 4.35Å; L794-I798 HydrophobicContact CG-CD1 4.07Å; L794-I798 WeakPolarHBondContact O-CB 3.19Å; L794-I798 VanDerWaalsContact O-CG1 3.3Å; L794-I798 WeakPolarHBondContact O-CG1 3.35Å; L794-I798 PolarHBondContact O-N 3.47Å; W795-I798 HydrophobicContact CE3-CB 4.49Å; W795-I798 HydrophobicContact CE3-CG2 4.23Å; W795-I798 HydrophobicContact CZ3-CG2 4.11Å; W795-I798 PolarHBondContact O-N 3.04Å; I798-A802 VanDerWaalsContact O-CB 3.22Å; I798-A802 WeakPolarHBondContact O-CB 3.29Å; I798-A802 PolarHBondContact O-N 3.46Å
799C94Very high91.7Very high17 Ų1747.7 Ų47.712%0.11524%0.243CC..Hα-helixtrans-67-38.9176.4-68.60000112.8W795 Q796 E797 Q803W795-C799 WeakPolarHBondContact O-CB 3.35Å; W795-C799 PolarHBondContact O-N 3.11Å; W795-C799 PolarHBondContact O-SG 3.35Å; Q796-C799 PolarHBondContact O-N 3.39Å; E797-C799 VanDerWaalsContact C-N 3.27Å; E797-C799 PolarHBondContact O-N 3.23Å; C799-Q803 PolarHBondContact O-N 3.34Å; C799-Q803 VanDerWaalsContact O-N 3.15Å
800K93.9Very high91.7Very high154 Ų15446.5 Ų46.567%0.6724%0.235SC*.Hα-helixtrans-64.7-46176.5-178.8-172.3174.9-169.90111Q796 E797 Q803 S804Q796-K800 WeakPolarHBondContact O-CB 3.39Å; Q796-K800 PolarHBondContact O-N 2.97Å; E797-K800 WeakPolarHBondContact O-CB 3.45Å; E797-K800 PolarHBondContact O-N 3.18Å; K800-Q803 PolarHBondContact O-N 2.95Å; K800-S804 PolarHBondContact O-N 2.97Å; K800-S804 PolarHBondContact O-OG 2.94Å
801D93.8Very high90.9Very high19 Ų1950.4 Ų50.410%0.10225%0.246CC..Hα-helixtrans-68.6-36.9178.5-76.9-1.8000112.2C717 H720 E797 Q803 S804 Y805C717-D801 HydrophobicContact CB-CB 3.91Å; H720-D801 IonicContact CE1-OD2 3.76Å; H720-D801 IonicContact CG-OD2 3.25Å; H720-D801 IonicContact ND1-OD1 2.88Å; H720-D801 IonicContact ND1-OD2 3.8Å; H720-D801 PolarHBondContact ND1-OD2 2.89Å; E797-D801 WeakPolarHBondContact O-CB 3.47Å; E797-D801 PolarHBondContact O-N 2.97Å; D801-Q803 VanDerWaalsContact C-N 3.28Å; D801-Q803 PolarHBondContact O-N 2.84Å; D801-S804 WeakPolarHBondContact CA-OG 3.43Å; D801-S804 PolarHBondContact O-N 2.93Å; D801-S804 PolarHBondContact O-OG 3.17Å; D801-Y805 HydrophobicContact CB-CD2 4.36Å; D801-Y805 WeakPolarHBondContact O-CB 3.25Å; D801-Y805 PolarHBondContact O-N 3.16Å
802A94.4Very high89.9Confident0 Ų055.4 Ų55.40%027%0.268CS..Hα-helixtrans-60.8-40.2173.600000111.8I713 C717 I798 Y806 A807 Y808 F810I713-A802 HydrophobicContact CG2-CB 3.86Å; C717-A802 PolarHBondContact SG-N 3.43Å; I798-A802 VanDerWaalsContact O-CB 3.22Å; I798-A802 WeakPolarHBondContact O-CB 3.29Å; I798-A802 PolarHBondContact O-N 3.46Å; A802-Y806 CarbonylContact O-C 3.4Å; A802-Y806 WeakPolarHBondContact O-CB 3.39Å; A802-Y806 PolarHBondContact O-N 2.93Å; A802-Y806 VanDerWaalsContact O-N 3.15Å; A802-A807 PolarHBondContact O-N 2.9Å; A802-Y808 CarbonylContact C-O 3.45Å; A802-Y808 WeakPolarHBondContact CB-O 3.49Å; A802-Y808 PolarHBondContact O-N 3.01Å; A802-Y808 VanDerWaalsContact O-N 3.16Å; A802-F810 HydrophobicContact CB-CD2 3.57Å; A802-F810 HydrophobicContact CB-CE2 3.52Å
803Q93.1Very high89.1Confident95 Ų9548.5 Ų48.544%0.44424%0.237SC..Hα-helixtrans-71.6-37175.8-171.361.131.200112.4C799 K800 D801 A807 Y808C799-Q803 PolarHBondContact O-N 3.34Å; C799-Q803 VanDerWaalsContact O-N 3.15Å; K800-Q803 PolarHBondContact O-N 2.95Å; D801-Q803 VanDerWaalsContact C-N 3.28Å; D801-Q803 PolarHBondContact O-N 2.84Å; Q803-A807 WeakPolarHBondContact O-CA 3.4Å; Q803-A807 PolarHBondContact O-N 2.96Å; Q803-Y808 PolarHBondContact N-O 3.45Å
804S92.5Very high87.8Confident44 Ų4450.4 Ų50.431%0.30825%0.247SC..Hα-helixtrans-78.8-40.1-177.767.80000114K800 D801K800-S804 PolarHBondContact O-N 2.97Å; K800-S804 PolarHBondContact O-OG 2.94Å; D801-S804 WeakPolarHBondContact CA-OG 3.43Å; D801-S804 PolarHBondContact O-N 2.93Å; D801-S804 PolarHBondContact O-OG 3.17Å
805Y92Very high86.3Confident44 Ų4452.6 Ų52.617%0.17326%0.257CS..Hα-helixtrans-88.8-30.2-177.7-77.9-81.6000113.9H359 P360 D801H359-Y805 AromaticContact CE1-CD1 3.97Å; H359-Y805 AromaticContact NE2-CD1 3.55Å; P360-Y805 HydrophobicContact CB-CE1 3.9Å; P360-Y805 HydrophobicContact CB-CE2 4.45Å; P360-Y805 HydrophobicContact CG-CD1 3.93Å; P360-Y805 HydrophobicContact CG-CD2 4.11Å; P360-Y805 HydrophobicContact CG-CE1 3.66Å; P360-Y805 HydrophobicContact CG-CE2 3.86Å; P360-Y805 HydrophobicContact CG-CG 4.15Å; D801-Y805 HydrophobicContact CB-CD2 4.36Å; D801-Y805 WeakPolarHBondContact O-CB 3.25Å; D801-Y805 PolarHBondContact O-N 3.16Å
806Y93Very high84.4Confident25 Ų2554.1 Ų54.110%0.09827%0.272CS..Hα-helixtrans-125-6.3-172.3-51.5-74.2000114M686 L689 I713 R716 A802 Y808M686-Y806 WeakPolarHBondContact O-CD1 3.43Å; M686-Y806 VanDerWaalsContact O-CE1 3.25Å; M686-Y806 WeakPolarHBondContact O-CE1 3.35Å; L689-Y806 HydrophobicContact CB-CD1 4.07Å; L689-Y806 HydrophobicContact CB-CE1 4.42Å; I713-Y806 HydrophobicContact CB-CD2 4.41Å; I713-Y806 HydrophobicContact CD1-CG 4.44Å; I713-Y806 HydrophobicContact CG1-CD2 4.21Å; I713-Y806 HydrophobicContact CG1-CG 4.18Å; I713-Y806 HydrophobicContact CG2-CD2 3.62Å; I713-Y806 HydrophobicContact CG2-CE2 4.01Å; I713-Y806 HydrophobicContact CG2-CG 4.32Å; R716-Y806 WeakPolarHBondContact CD-OH 3.45Å; A802-Y806 CarbonylContact O-C 3.4Å; A802-Y806 WeakPolarHBondContact O-CB 3.39Å; A802-Y806 PolarHBondContact O-N 2.93Å; A802-Y806 VanDerWaalsContact O-N 3.15Å; Y806-Y808 PolarHBondContact O-N 3.17Å
807A91.9Very high82.3Confident31 Ų3150.3 Ų50.326%0.25626%0.264SS..  trans49.642.6-169.700000112.6A802 Q803A802-A807 PolarHBondContact O-N 2.9Å; Q803-A807 WeakPolarHBondContact O-CA 3.4Å; Q803-A807 PolarHBondContact O-N 2.96Å
808Y90.5Very high80Confident12 Ų1254.3 Ų54.35%0.04729%0.288CS..  trans-113.7121.9177.8-166.5-85000111A693 N694 L710 I713 A802 Q803 Y806 F810A693-Y808 HydrophobicContact CB-CD2 4.32Å; A693-Y808 HydrophobicContact CB-CE2 4.1Å; N694-Y808 WeakPolarHBondContact OD1-CE2 3.26Å; L710-Y808 HydrophobicContact CD2-CD1 4.16Å; L710-Y808 HydrophobicContact CD2-CD2 4.24Å; L710-Y808 HydrophobicContact CD2-CE1 3.55Å; L710-Y808 HydrophobicContact CD2-CE2 3.63Å; L710-Y808 HydrophobicContact CD2-CG 4.49Å; L710-Y808 WeakPolarHBondContact CD2-OH 3.49Å; I713-Y808 HydrophobicContact CD1-CD2 4.48Å; I713-Y808 HydrophobicContact CD1-CG 4.11Å; A802-Y808 CarbonylContact C-O 3.45Å; A802-Y808 WeakPolarHBondContact CB-O 3.49Å; A802-Y808 PolarHBondContact O-N 3.01Å; A802-Y808 VanDerWaalsContact O-N 3.16Å; Q803-Y808 PolarHBondContact N-O 3.45Å; Y806-Y808 PolarHBondContact O-N 3.17Å; Y808-F810 HydrophobicContact CD1-CD1 4.08Å; Y808-F810 HydrophobicContact CD1-CD2 4.01Å; Y808-F810 AromaticContact CD1-CE1 3.92Å; Y808-F810 HydrophobicContact CD1-CE1 3.92Å; Y808-F810 AromaticContact CD1-CE2 3.85Å; Y808-F810 HydrophobicContact CD1-CE2 3.85Å; Y808-F810 HydrophobicContact CD1-CG 4.11Å; Y808-F810 AromaticContact CD1-CZ 3.78Å; Y808-F810 HydrophobicContact CD1-CZ 3.78Å; Y808-F810 AromaticContact CE1-CD1 3.71Å; Y808-F810 HydrophobicContact CE1-CD1 3.71Å; Y808-F810 HydrophobicContact CE1-CD2 4.46Å; Y808-F810 AromaticContact CE1-CE1 3.61Å; Y808-F810 HydrophobicContact CE1-CE1 3.61Å; Y808-F810 HydrophobicContact CE1-CE2 4.38Å; Y808-F810 HydrophobicContact CE1-CG 4.13Å; Y808-F810 AromaticContact CE1-CZ 3.96Å; Y808-F810 HydrophobicContact CE1-CZ 3.96Å
809N88.7Confident77.6Confident77 Ų7762.5 Ų62.541%0.41232%0.324SS..  trans-97.9110.7-178.9-177.67.3000110.9K811N809-K811 VanDerWaalsContact OD1-CB 3.31Å; N809-K811 WeakPolarHBondContact OD1-CB 3.33Å; N809-K811 WeakPolarHBondContact OD1-CG 3.4Å; N809-K811 PolarHBondContact OD1-N 3.27Å
810F86Confident75.2Confident0 Ų065.9 Ų65.90%035%0.353CS..THydrogen-bonded Turntrans-79-10.9178.1-80.2-70.6000115.2L710 I713 I714 W795 A802 Y808 E812 F834L710-F810 HydrophobicContact CB-CE1 4.14Å; L710-F810 HydrophobicContact CB-CZ 4.41Å; L710-F810 HydrophobicContact CD2-CE1 4.15Å; L710-F810 HydrophobicContact CD2-CZ 4.34Å; L710-F810 HydrophobicContact CG-CE1 4.47Å; I713-F810 HydrophobicContact CB-CE2 4.4Å; I713-F810 HydrophobicContact CB-CZ 4.21Å; I713-F810 HydrophobicContact CG2-CE2 3.69Å; I713-F810 HydrophobicContact CG2-CZ 4.01Å; I714-F810 HydrophobicContact CD1-CE1 3.91Å; I714-F810 HydrophobicContact CD1-CZ 3.94Å; I714-F810 HydrophobicContact CG1-CE1 4.08Å; I714-F810 HydrophobicContact CG1-CE2 3.91Å; I714-F810 HydrophobicContact CG1-CZ 3.57Å; W795-F810 HydrophobicContact CH2-CB 4.39Å; W795-F810 HydrophobicContact CH2-CG 4.38Å; W795-F810 HydrophobicContact CZ2-CB 4.07Å; A802-F810 HydrophobicContact CB-CD2 3.57Å; A802-F810 HydrophobicContact CB-CE2 3.52Å; Y808-F810 HydrophobicContact CD1-CD1 4.08Å; Y808-F810 HydrophobicContact CD1-CD2 4.01Å; Y808-F810 AromaticContact CD1-CE1 3.92Å; Y808-F810 HydrophobicContact CD1-CE1 3.92Å; Y808-F810 AromaticContact CD1-CE2 3.85Å; Y808-F810 HydrophobicContact CD1-CE2 3.85Å; Y808-F810 HydrophobicContact CD1-CG 4.11Å; Y808-F810 AromaticContact CD1-CZ 3.78Å; Y808-F810 HydrophobicContact CD1-CZ 3.78Å; Y808-F810 AromaticContact CE1-CD1 3.71Å; Y808-F810 HydrophobicContact CE1-CD1 3.71Å; Y808-F810 HydrophobicContact CE1-CD2 4.46Å; Y808-F810 AromaticContact CE1-CE1 3.61Å; Y808-F810 HydrophobicContact CE1-CE1 3.61Å; Y808-F810 HydrophobicContact CE1-CE2 4.38Å; Y808-F810 HydrophobicContact CE1-CG 4.13Å; Y808-F810 AromaticContact CE1-CZ 3.96Å; Y808-F810 HydrophobicContact CE1-CZ 3.96Å; F810-E812 PolarHBondContact O-N 2.85Å; F810-F834 HydrophobicContact CD1-CD2 4.26Å; F810-F834 HydrophobicContact CD1-CE2 4.31Å; F810-F834 HydrophobicContact CE1-CD2 4.24Å; F810-F834 AromaticContact CE1-CE2 3.86Å; F810-F834 HydrophobicContact CE1-CE2 3.86Å
811K72.2Confident72.8Confident137 Ų13766.1 Ų66.160%0.59636%0.36SS*.THydrogen-bonded Turntrans-60.7-30.8-174.7-67.5177.9179.1178.80113N809 K827 V828N809-K811 VanDerWaalsContact OD1-CB 3.31Å; N809-K811 WeakPolarHBondContact OD1-CB 3.33Å; N809-K811 WeakPolarHBondContact OD1-CG 3.4Å; N809-K811 PolarHBondContact OD1-N 3.27Å; K811-K827 WeakPolarHBondContact O-CA 3.4Å; K811-V828 PolarHBondContact O-N 3.33Å
812E67.9Low70.6Confident119 Ų11969.1 Ų69.156%0.55638%0.383SS*.EExtended strand (participates in β ladder)trans-129.9101-175.5-74.5176-155.400109.6F810 V814 V825F810-E812 PolarHBondContact O-N 2.85Å; E812-V814 PolarHBondContact O-N 3.43Å; E812-V825 HydrophobicContact CB-CG1 3.65Å; E812-V825 HydrophobicContact CG-CG1 3.67Å
813L70.5Confident68.8Low0 Ų072.1 Ų72.10%041%0.407CS..EExtended strand (participates in β ladder)trans-82.7111170-72.2-177.5000109.2L710 F815 R826 V828 F834 A837 R838L710-L813 HydrophobicContact CD1-CD2 4.32Å; L813-F815 HydrophobicContact CB-CD2 4.39Å; L813-F815 HydrophobicContact CB-CE2 3.64Å; L813-F815 HydrophobicContact CB-CZ 4.24Å; L813-F815 HydrophobicContact CD1-CE2 4.39Å; L813-F815 HydrophobicContact CD1-CZ 4.27Å; L813-F815 VanDerWaalsContact O-CD2 3.3Å; L813-F815 WeakPolarHBondContact O-CD2 3.34Å; L813-F815 PolarHBondContact O-N 2.87Å; L813-R826 PolarHBondContact N-O 3.07Å; L813-R826 PolarHBondContact O-N 3.34Å; L813-V828 HydrophobicContact CB-CG2 4.31Å; L813-V828 HydrophobicContact CD1-CG2 3.56Å; L813-V828 HydrophobicContact CG-CG2 3.66Å; L813-F834 HydrophobicContact CD1-CD2 4.13Å; L813-A837 HydrophobicContact CD1-CB 4.2Å; L813-R838 HydrophobicContact CD1-CG 3.84Å
814V64.6Low67.3Low74 Ų7471.5 Ų71.545%0.44841%0.41SS..EExtended strand (participates in β ladder)trans-71.3123167.9-179.30000109.6E812 A823 R838E812-V814 PolarHBondContact O-N 3.43Å; V814-A823 HydrophobicContact CG1-CB 4.16Å; V814-R838 PolarHBondContact O-NH2 2.88Å
815F61.2Low66Low49 Ų4973 Ų7322%0.21542%0.418CS..EExtended strand (participates in β ladder)trans-104.2113.8166.4-68.8-91.6000108.9L813 G817 A823 T824 R826 A837L813-F815 HydrophobicContact CB-CD2 4.39Å; L813-F815 HydrophobicContact CB-CE2 3.64Å; L813-F815 HydrophobicContact CB-CZ 4.24Å; L813-F815 HydrophobicContact CD1-CE2 4.39Å; L813-F815 HydrophobicContact CD1-CZ 4.27Å; L813-F815 VanDerWaalsContact O-CD2 3.3Å; L813-F815 WeakPolarHBondContact O-CD2 3.34Å; L813-F815 PolarHBondContact O-N 2.87Å; F815-G817 PolarHBondContact O-N 3.5Å; F815-G817 VanDerWaalsContact O-N 3.16Å; F815-A823 WeakPolarHBondContact O-CA 3.25Å; F815-T824 WeakPolarHBondContact CB-O 3.45Å; F815-T824 WeakPolarHBondContact CD2-O 3.49Å; F815-T824 PolarHBondContact N-O 3.26Å; F815-T824 PolarHBondContact O-N 3.41Å; F815-T824 VanDerWaalsContact O-N 3.09Å; F815-R826 HydrophobicContact CD2-CB 4Å; F815-R826 HydrophobicContact CE2-CB 3.64Å; F815-A837 WeakPolarHBondContact CE1-O 3.33Å; F815-A837 HydrophobicContact CE2-CB 4.32Å; F815-A837 HydrophobicContact CZ-CB 3.77Å; F815-A837 VanDerWaalsContact CZ-O 3.29Å; F815-A837 WeakPolarHBondContact CZ-O 3.48Å
816A53.3Low65Low43 Ų4377.5 Ų77.536%0.35543%0.434SS..  trans-61115.4165.200000108.3
817G47.1Very low64.2Low35 Ų3583 Ų8336%0.36146%0.458SS..  trans-63.8155.5173.800000111.1F815 F819F815-G817 PolarHBondContact O-N 3.5Å; F815-G817 VanDerWaalsContact O-N 3.16Å; G817-F819 PolarHBondContact O-N 2.9Å
818N45.6Very low63.8Low164 Ų16481.6 Ų81.688%0.87745%0.447SS*.SBendtrans-67.91176.5-70-9.3000113.6
819F43Very low63.4Low174 Ų17485.6 Ų85.676%0.76347%0.469SS*.SBendtrans-143.9144.4171.8-117-100.7000107.8G817 L821G817-F819 PolarHBondContact O-N 2.9Å; F819-L821 HydrophobicContact CD1-CD1 4.42Å; F819-L821 PolarHBondContact O-N 3.34Å
820A44.6Very low63.2Low88 Ų8882.8 Ų82.873%0.72746%0.455SS*.THydrogen-bonded Turntrans-71.123.6-167.700000116.4
821L42.5Very low63.2Low158 Ų15883.2 Ų83.283%0.82746%0.458SS*.THydrogen-bonded Turntrans-117.1-2.5-168.8-85.5131.8000115.8F819F819-L821 HydrophobicContact CD1-CD1 4.42Å; F819-L821 PolarHBondContact O-N 3.34Å
822S48.1Very low63.9Low82 Ų8277.3 Ų77.357%0.57343%0.433SS*.  trans-159.7116.5165-169.20000112.2T824S822-T824 PolarHBondContact O-N 2.94Å
823A56.4Low64.7Low63 Ų6374.2 Ų74.252%0.52142%0.42SS..  trans-76.4111.8164.400000108.7V814 F815 V825V814-A823 HydrophobicContact CG1-CB 4.16Å; F815-A823 WeakPolarHBondContact O-CA 3.25Å; A823-V825 PolarHBondContact O-N 3.19Å
824T60.9Low65.5Low82 Ų8274.2 Ų74.250%0.50342%0.42SS..EExtended strand (participates in β ladder)trans-79.1111.3175.8-54.40000108.6F815 S822F815-T824 WeakPolarHBondContact CB-O 3.45Å; F815-T824 WeakPolarHBondContact CD2-O 3.49Å; F815-T824 PolarHBondContact N-O 3.26Å; F815-T824 PolarHBondContact O-N 3.41Å; F815-T824 VanDerWaalsContact O-N 3.09Å; S822-T824 PolarHBondContact O-N 2.94Å
825V64.9Low66.7Low76 Ų7671 Ų7146%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-83.9119.6171.11790000108.6E812 A823E812-V825 HydrophobicContact CB-CG1 3.65Å; E812-V825 HydrophobicContact CG-CG1 3.67Å; A823-V825 PolarHBondContact O-N 3.19Å
826R72.5Confident67.8Low138 Ų13874.5 Ų74.552%0.52142%0.419SS..EExtended strand (participates in β ladder)trans-108.1120.6175.1-141176.1-172.7-173.7-1.7109.3L813 F815L813-R826 PolarHBondContact N-O 3.07Å; L813-R826 PolarHBondContact O-N 3.34Å; F815-R826 HydrophobicContact CD2-CB 4Å; F815-R826 HydrophobicContact CE2-CB 3.64Å
827K76.5Confident69.3Low140 Ų14073.1 Ų73.161%0.60941%0.407SS*.EExtended strand (participates in β ladder)trans-69.5138.1175.3-172.7164.8179.6-86.80110.1K811 D829K811-K827 WeakPolarHBondContact O-CA 3.4Å; K827-D829 IonicContact NZ-OD1 2.9Å; K827-D829 PolarHBondContact NZ-OD1 2.91Å; K827-D829 IonicContact NZ-OD2 2.69Å; K827-D829 PolarHBondContact NZ-OD2 3.34Å
828V82.9Confident71Confident3 Ų372.7 Ų72.72%0.01839%0.394CS..  trans-125.2101.2-177.9-178.60000109.7W795 K811 L813 S830 D833 F834W795-V828 HydrophobicContact CH2-CG1 4.23Å; W795-V828 HydrophobicContact CZ2-CB 4.43Å; W795-V828 HydrophobicContact CZ2-CG1 3.44Å; W795-V828 VanDerWaalsContact CZ2-CG1 3.44Å; W795-V828 PolarHBondContact NE1-O 3.38Å; K811-V828 PolarHBondContact O-N 3.33Å; L813-V828 HydrophobicContact CB-CG2 4.31Å; L813-V828 HydrophobicContact CD1-CG2 3.56Å; L813-V828 HydrophobicContact CG-CG2 3.66Å; V828-S830 VanDerWaalsContact CG1-O 3.31Å; V828-S830 WeakPolarHBondContact CG1-O 3.43Å; V828-D833 HydrophobicContact CG1-CB 4.15Å; V828-F834 HydrophobicContact CG1-CB 3.85Å
829D81.3Confident72.9Confident95 Ų9570.8 Ų70.851%0.50838%0.378SS..  trans-94.7-11.1-178.6-72.2-53.4000113K827 D833K827-D829 IonicContact NZ-OD1 2.9Å; K827-D829 PolarHBondContact NZ-OD1 2.91Å; K827-D829 IonicContact NZ-OD2 2.69Å; K827-D829 PolarHBondContact NZ-OD2 3.34Å; D829-D833 PolarHBondContact N-OD2 3.33Å
830S84.1Confident75Confident18 Ų1862.9 Ų62.913%0.12634%0.344CS..SBendtrans-150165.4177.772.50000113.6S748 V828 T832 D833 F834S748-S830 WeakPolarHBondContact OG-CB 3.37Å; S748-S830 PolarHBondContact OG-OG 2.99Å; V828-S830 VanDerWaalsContact CG1-O 3.31Å; V828-S830 WeakPolarHBondContact CG1-O 3.43Å; S830-T832 PolarHBondContact O-N 2.78Å; S830-T832 PolarHBondContact OG-N 3.28Å; S830-T832 PolarHBondContact OG-OG1 3.02Å; S830-D833 WeakPolarHBondContact CB-OD2 3.48Å; S830-D833 PolarHBondContact N-OD2 2.95Å; S830-D833 PolarHBondContact O-N 2.93Å; S830-D833 PolarHBondContact OG-N 3.3Å; S830-D833 PolarHBondContact OG-OD1 3.46Å; S830-D833 VanDerWaalsContact OG-OD1 3.14Å; S830-D833 PolarHBondContact OG-OD2 2.8Å; S830-F834 PolarHBondContact O-N 2.91Å
831I87.1Confident77Confident9 Ų960.3 Ų60.35%0.04632%0.32CS..Hα-helixtrans-60.8-28.9173.2-168.764.1000113.2I714 F745 W795 F834 C835 L845I714-I831 HydrophobicContact CD1-CD1 4.26Å; I714-I831 HydrophobicContact CG2-CD1 3.86Å; F745-I831 VanDerWaalsContact O-CG2 3.3Å; F745-I831 WeakPolarHBondContact O-CG2 3.29Å; W795-I831 HydrophobicContact CE3-CB 4.06Å; W795-I831 HydrophobicContact CE3-CD1 4.23Å; W795-I831 HydrophobicContact CH2-CD1 4.43Å; W795-I831 HydrophobicContact CZ3-CB 4.21Å; W795-I831 HydrophobicContact CZ3-CD1 3.61Å; I831-F834 HydrophobicContact CD1-CD1 4.25Å; I831-F834 PolarHBondContact O-N 2.94Å; I831-C835 WeakPolarHBondContact O-CB 3Å; I831-C835 PolarHBondContact O-N 3.12Å; I831-L845 HydrophobicContact CD1-CD1 3.93Å; I831-L845 HydrophobicContact CG1-CD1 4.32Å
832T86.1Confident79.3Confident13 Ų1354.8 Ų54.88%0.0829%0.29CS..Hα-helixtrans-67.9-42.117654.20000110.9S748 S830 F834 C835 E836S748-T832 VanDerWaalsContact OG-CG2 3.22Å; S748-T832 WeakPolarHBondContact OG-CG2 3.35Å; S748-T832 PolarHBondContact OG-OG1 3.07Å; S830-T832 PolarHBondContact O-N 2.78Å; S830-T832 PolarHBondContact OG-N 3.28Å; S830-T832 PolarHBondContact OG-OG1 3.02Å; T832-F834 VanDerWaalsContact C-N 3.29Å; T832-F834 PolarHBondContact O-N 2.82Å; T832-C835 PolarHBondContact O-N 2.99Å; T832-C835 VanDerWaalsContact O-N 3.16Å; T832-E836 WeakPolarHBondContact O-CB 3.26Å; T832-E836 WeakPolarHBondContact O-CG 3.47Å; T832-E836 PolarHBondContact O-N 3.4Å
833D85.1Confident81.3Confident54 Ų5454 Ų5429%0.28928%0.276SS..Hα-helixtrans-65.2-37.2178.7-40.8-35.8000110.3V828 D829 S830 A837V828-D833 HydrophobicContact CG1-CB 4.15Å; D829-D833 PolarHBondContact N-OD2 3.33Å; S830-D833 WeakPolarHBondContact CB-OD2 3.48Å; S830-D833 PolarHBondContact N-OD2 2.95Å; S830-D833 PolarHBondContact O-N 2.93Å; S830-D833 PolarHBondContact OG-N 3.3Å; S830-D833 PolarHBondContact OG-OD1 3.46Å; S830-D833 VanDerWaalsContact OG-OD1 3.14Å; S830-D833 PolarHBondContact OG-OD2 2.8Å; D833-A837 WeakPolarHBondContact O-CB 3.42Å; D833-A837 PolarHBondContact O-N 3.35Å
834F88.4Confident82.9Confident0 Ų051.7 Ų51.70%026%0.257CS..Hα-helixtrans-60.8-50.6171.4174-95.4000111.7L710 I714 W795 F810 L813 V828 S830 I831 T832 E836 A837 R838 V840L710-F834 HydrophobicContact CB-CE2 3.94Å; L710-F834 HydrophobicContact CB-CZ 3.77Å; L710-F834 HydrophobicContact CD1-CE2 4.07Å; I714-F834 HydrophobicContact CD1-CD1 3.57Å; I714-F834 HydrophobicContact CD1-CD2 3.91Å; I714-F834 HydrophobicContact CD1-CE1 3.38Å; I714-F834 HydrophobicContact CD1-CE2 3.75Å; I714-F834 HydrophobicContact CD1-CG 3.84Å; I714-F834 HydrophobicContact CD1-CZ 3.48Å; I714-F834 VanDerWaalsContact CD1-CZ 3.48Å; W795-F834 HydrophobicContact CH2-CB 4.04Å; W795-F834 HydrophobicContact CH2-CG 4.41Å; F810-F834 HydrophobicContact CD1-CD2 4.26Å; F810-F834 HydrophobicContact CD1-CE2 4.31Å; F810-F834 HydrophobicContact CE1-CD2 4.24Å; F810-F834 AromaticContact CE1-CE2 3.86Å; F810-F834 HydrophobicContact CE1-CE2 3.86Å; L813-F834 HydrophobicContact CD1-CD2 4.13Å; V828-F834 HydrophobicContact CG1-CB 3.85Å; S830-F834 PolarHBondContact O-N 2.91Å; I831-F834 HydrophobicContact CD1-CD1 4.25Å; I831-F834 PolarHBondContact O-N 2.94Å; T832-F834 VanDerWaalsContact C-N 3.29Å; T832-F834 PolarHBondContact O-N 2.82Å; F834-E836 PolarHBondContact O-N 3.48Å; F834-A837 PolarHBondContact O-N 3.08Å; F834-R838 HydrophobicContact CD2-CG 4.31Å; F834-R838 HydrophobicContact CE2-CB 4.43Å; F834-R838 HydrophobicContact CE2-CG 3.9Å; F834-R838 HydrophobicContact CZ-CB 4.4Å; F834-R838 HydrophobicContact CZ-CG 4.32Å; F834-R838 WeakPolarHBondContact O-CB 3.28Å; F834-R838 PolarHBondContact O-N 3.27Å; F834-V840 HydrophobicContact CE1-CB 4.27Å; F834-V840 HydrophobicContact CE1-CG2 3.84Å; F834-V840 HydrophobicContact CZ-CG2 4.25Å
835C88.4Confident84.3Confident8 Ų847.9 Ų47.95%0.05423%0.233CC..Hα-helixtrans-60.1-43.9179.7-84.90000112.4I831 T832 K839 V840 K842I831-C835 WeakPolarHBondContact O-CB 3Å; I831-C835 PolarHBondContact O-N 3.12Å; T832-C835 PolarHBondContact O-N 2.99Å; T832-C835 VanDerWaalsContact O-N 3.16Å; C835-K839 CarbonylContact O-C 3.57Å; C835-K839 WeakPolarHBondContact O-CA 3.17Å; C835-K839 PolarHBondContact O-N 3Å; C835-V840 WeakPolarHBondContact CB-O 3.37Å; C835-V840 PolarHBondContact O-N 3.31Å; C835-V840 PolarHBondContact SG-O 2.82Å; C835-V840 VanDerWaalsContact SG-O 3.35Å; C835-K842 HydrophobicContact CB-CG 4.28Å
836E85.6Confident85.7Confident122 Ų12244.4 Ų44.457%0.5721%0.212SC*.Hα-helixtrans-68.2-46.4177.3-71.3175.3-158.600111.4T832 F834 K839T832-E836 WeakPolarHBondContact O-CB 3.26Å; T832-E836 WeakPolarHBondContact O-CG 3.47Å; T832-E836 PolarHBondContact O-N 3.4Å; F834-E836 PolarHBondContact O-N 3.48Å; E836-K839 PolarHBondContact O-N 3.28Å
837A83.4Confident86.6Confident13 Ų1338.4 Ų38.411%0.10719%0.189CC..Hα-helixtrans-69.6-35.1-176.500000113.2L813 F815 D833 F834L813-A837 HydrophobicContact CD1-CB 4.2Å; F815-A837 WeakPolarHBondContact CE1-O 3.33Å; F815-A837 HydrophobicContact CE2-CB 4.32Å; F815-A837 HydrophobicContact CZ-CB 3.77Å; F815-A837 VanDerWaalsContact CZ-O 3.29Å; F815-A837 WeakPolarHBondContact CZ-O 3.48Å; D833-A837 WeakPolarHBondContact O-CB 3.42Å; D833-A837 PolarHBondContact O-N 3.35Å; F834-A837 PolarHBondContact O-N 3.08Å
838R82.9Confident87.4Confident26 Ų2632.4 Ų32.410%0.09817%0.165CC..THydrogen-bonded Turntrans-99.25.6176.1-65.6-68179.9172.4-7.4113.9L813 V814 F834 V840L813-R838 HydrophobicContact CD1-CG 3.84Å; V814-R838 PolarHBondContact O-NH2 2.88Å; F834-R838 HydrophobicContact CD2-CG 4.31Å; F834-R838 HydrophobicContact CE2-CB 4.43Å; F834-R838 HydrophobicContact CE2-CG 3.9Å; F834-R838 HydrophobicContact CZ-CB 4.4Å; F834-R838 HydrophobicContact CZ-CG 4.32Å; F834-R838 WeakPolarHBondContact O-CB 3.28Å; F834-R838 PolarHBondContact O-N 3.27Å; R838-V840 HydrophobicContact CB-CG2 3.96Å; R838-V840 PolarHBondContact O-N 3.32Å
839K85.2Confident87.9Confident124 Ų12432.3 Ų32.354%0.53916%0.164SC..THydrogen-bonded Turntrans47.245.3-174.2-64.7178.1166-175.80112.6K707 C835 E836 D1015K707-K839 WeakPolarHBondContact CE-O 3.33Å; K707-K839 PolarHBondContact NZ-O 3.38Å; C835-K839 CarbonylContact O-C 3.57Å; C835-K839 WeakPolarHBondContact O-CA 3.17Å; C835-K839 PolarHBondContact O-N 3Å; E836-K839 PolarHBondContact O-N 3.28Å; K839-D1015 WeakPolarHBondContact CD-OD2 3.45Å; K839-D1015 WeakPolarHBondContact CE-OD2 3.35Å; K839-D1015 IonicContact NZ-OD2 3.59Å; K839-D1015 PolarHBondContact NZ-OD2 3.18Å
840V87.2Confident88.5Confident9 Ų927.8 Ų27.86%0.05514%0.14CC..  trans-89.4119.2177175.80000109K707 F834 C835 R838 K842 L845K707-V840 HydrophobicContact CD-CG2 4.06Å; K707-V840 HydrophobicContact CG-CG2 3.58Å; F834-V840 HydrophobicContact CE1-CB 4.27Å; F834-V840 HydrophobicContact CE1-CG2 3.84Å; F834-V840 HydrophobicContact CZ-CG2 4.25Å; C835-V840 WeakPolarHBondContact CB-O 3.37Å; C835-V840 PolarHBondContact O-N 3.31Å; C835-V840 PolarHBondContact SG-O 2.82Å; C835-V840 VanDerWaalsContact SG-O 3.35Å; R838-V840 HydrophobicContact CB-CG2 3.96Å; R838-V840 PolarHBondContact O-N 3.32Å; V840-K842 PolarHBondContact O-N 3Å; V840-L845 HydrophobicContact CG1-CD1 4.16Å; V840-L845 HydrophobicContact CG1-CD2 4.1Å; V840-L845 HydrophobicContact CG1-CG 3.89Å
841P88.5Confident88.9Confident34 Ų3430.3 Ų30.322%0.22115%0.152CC..  trans-63.8122.3174.425.6-31.6000109.8F843 A844 L1011P841-F843 PolarHBondContact O-N 3.29Å; P841-F843 VanDerWaalsContact O-N 3.08Å; P841-A844 HydrophobicContact CG-CB 3.99Å; P841-A844 WeakPolarHBondContact O-CB 3.33Å; P841-A844 PolarHBondContact O-N 2.87Å; P841-L1011 WeakPolarHBondContact CG-O 3.46Å
842K90.2Very high89.1Confident42 Ų4231.2 Ų31.218%0.18316%0.16CC..Hα-helixtrans-52.4-33.2178.8-67.1-177.3179.1-169.80112.8L746 C835 V840 A844 L845 L846 L864L746-K842 HydrophobicContact CD2-CB 4.42Å; L746-K842 WeakPolarHBondContact O-CE 3.2Å; L746-K842 PolarHBondContact O-NZ 3.49Å; C835-K842 HydrophobicContact CB-CG 4.28Å; V840-K842 PolarHBondContact O-N 3Å; K842-A844 VanDerWaalsContact C-N 3.29Å; K842-A844 PolarHBondContact O-N 3.5Å; K842-L845 PolarHBondContact O-N 3.45Å; K842-L846 PolarHBondContact O-N 3.34Å; K842-L864 HydrophobicContact CB-CB 4.45Å; K842-L864 HydrophobicContact CB-CD1 3.82Å; K842-L864 HydrophobicContact CD-CB 3.92Å; K842-L864 PolarHBondContact NZ-O 3.45Å
843F89.5Confident89.4Confident65 Ų6531 Ų3129%0.28516%0.159SC..Hα-helixtrans-57-38.1175.3-179.1-90.6000113.1W23 P841 L846 R847 M1010W23-F843 HydrophobicContact CH2-CD2 4.32Å; W23-F843 HydrophobicContact CH2-CE1 4.34Å; W23-F843 AromaticContact CH2-CE2 3.6Å; W23-F843 HydrophobicContact CH2-CE2 3.6Å; W23-F843 AromaticContact CH2-CZ 3.61Å; W23-F843 HydrophobicContact CH2-CZ 3.61Å; W23-F843 AromaticContact CZ2-CE1 3.98Å; W23-F843 HydrophobicContact CZ2-CE1 3.98Å; W23-F843 AromaticContact CZ2-CE2 3.98Å; W23-F843 HydrophobicContact CZ2-CE2 3.98Å; W23-F843 AromaticContact CZ2-CZ 3.47Å; W23-F843 HydrophobicContact CZ2-CZ 3.47Å; W23-F843 VanDerWaalsContact CZ2-CZ 3.47Å; P841-F843 PolarHBondContact O-N 3.29Å; P841-F843 VanDerWaalsContact O-N 3.08Å; F843-L846 WeakPolarHBondContact O-CB 3.45Å; F843-L846 PolarHBondContact O-N 3.4Å; F843-R847 WeakPolarHBondContact O-CB 3.41Å; F843-R847 PolarHBondContact O-N 3.15Å; F843-M1010 HydrophobicContact CB-CE 4.38Å; F843-M1010 HydrophobicContact CD1-CB 4.24Å; F843-M1010 HydrophobicContact CD1-CE 3.68Å; F843-M1010 WeakPolarHBondContact CD1-O 3.28Å; F843-M1010 HydrophobicContact CD2-CE 3.68Å; F843-M1010 HydrophobicContact CE1-CB 4.12Å; F843-M1010 HydrophobicContact CE1-CE 3.73Å; F843-M1010 HydrophobicContact CE2-CE 3.72Å; F843-M1010 HydrophobicContact CG-CE 3.65Å; F843-M1010 HydrophobicContact CZ-CE 3.74Å
844A89.3Confident89.8Confident14 Ų1428.7 Ų28.712%0.11615%0.148CC..Hα-helixtrans-68.1-37.1177.700000111.9P841 K842 S848 L1011P841-A844 HydrophobicContact CG-CB 3.99Å; P841-A844 WeakPolarHBondContact O-CB 3.33Å; P841-A844 PolarHBondContact O-N 2.87Å; K842-A844 VanDerWaalsContact C-N 3.29Å; K842-A844 PolarHBondContact O-N 3.5Å; A844-S848 WeakPolarHBondContact O-CB 3.2Å; A844-S848 PolarHBondContact O-N 2.98Å; A844-S848 PolarHBondContact O-OG 2.84Å; A844-L1011 WeakPolarHBondContact CB-O 3.3Å
845L92.3Very high90.1Very high2 Ų228.7 Ų28.71%0.0115%0.148CC..Hα-helixtrans-67.4-42.8173.4-61.3-178.8000111.8V715 F745 L746 I831 V840 K842 S848 L849V715-L845 HydrophobicContact CG2-CD2 4.13Å; F745-L845 HydrophobicContact CE1-CB 4.17Å; F745-L845 HydrophobicContact CZ-CB 4.37Å; L746-L845 HydrophobicContact CD2-CB 4.39Å; I831-L845 HydrophobicContact CD1-CD1 3.93Å; I831-L845 HydrophobicContact CG1-CD1 4.32Å; V840-L845 HydrophobicContact CG1-CD1 4.16Å; V840-L845 HydrophobicContact CG1-CD2 4.1Å; V840-L845 HydrophobicContact CG1-CG 3.89Å; K842-L845 PolarHBondContact O-N 3.45Å; L845-S848 PolarHBondContact O-N 2.92Å; L845-L849 VanDerWaalsContact O-CB 3.3Å; L845-L849 WeakPolarHBondContact O-CB 3.43Å; L845-L849 PolarHBondContact O-N 3.2Å
846L93.3Very high90.3Very high3 Ų330 Ų302%0.01615%0.153CC..Hα-helixtrans-55.9-54.6172.5172.967000111W23 L742 L746 K842 F843 S848 L849 C850 F872W23-L846 HydrophobicContact CH2-CD2 4.32Å; W23-L846 HydrophobicContact CZ3-CD2 4.03Å; W23-L846 HydrophobicContact CZ3-CG 4.06Å; L742-L846 HydrophobicContact CD1-CD1 4.27Å; L742-L846 HydrophobicContact CD2-CD1 3.99Å; L746-L846 HydrophobicContact CD1-CB 3.82Å; L746-L846 HydrophobicContact CD1-CD1 3.73Å; L746-L846 HydrophobicContact CD1-CG 4.23Å; K842-L846 PolarHBondContact O-N 3.34Å; F843-L846 WeakPolarHBondContact O-CB 3.45Å; F843-L846 PolarHBondContact O-N 3.4Å; L846-S848 PolarHBondContact O-N 2.86Å; L846-L849 PolarHBondContact O-N 2.83Å; L846-C850 WeakPolarHBondContact O-CB 3.45Å; L846-C850 PolarHBondContact O-N 3.36Å; L846-C850 PolarHBondContact O-SG 3.23Å; L846-F872 HydrophobicContact CD1-CE1 4.36Å; L846-F872 HydrophobicContact CD1-CE2 4.45Å; L846-F872 HydrophobicContact CD1-CZ 3.87Å; L846-F872 HydrophobicContact CD2-CE1 4.21Å; L846-F872 HydrophobicContact CD2-CZ 3.72Å; L846-F872 HydrophobicContact CG-CZ 4.45Å
847R92.1Very high90.7Very high12 Ų1224.3 Ų24.35%0.04513%0.127CC..Hα-helixtrans-53.7-55177.7168-179.1174.1-82.816111.2W23 D671 F843 L849 C850 I851 D973W23-R847 HydrophobicContact CD2-CB 4.37Å; W23-R847 HydrophobicContact CD2-CG 4.38Å; W23-R847 HydrophobicContact CH2-CB 4.2Å; W23-R847 HydrophobicContact CZ2-CB 3.7Å; W23-R847 HydrophobicContact CZ2-CG 4.05Å; D671-R847 IonicContact OD2-CZ 3.28Å; D671-R847 VanDerWaalsContact OD2-CZ 3.24Å; D671-R847 IonicContact OD2-NH1 3.92Å; D671-R847 PolarHBondContact OD2-NH1 3.34Å; D671-R847 IonicContact OD2-NH2 2.69Å; D671-R847 PolarHBondContact OD2-NH2 3.1Å; F843-R847 WeakPolarHBondContact O-CB 3.41Å; F843-R847 PolarHBondContact O-N 3.15Å; R847-L849 VanDerWaalsContact C-N 3.3Å; R847-L849 PolarHBondContact O-N 3.39Å; R847-C850 PolarHBondContact O-N 3.26Å; R847-I851 HydrophobicContact CG-CD1 3.68Å; R847-I851 HydrophobicContact CG-CG1 4.46Å; R847-I851 WeakPolarHBondContact O-CG1 3.48Å; R847-I851 PolarHBondContact O-N 3.07Å; R847-D973 WeakPolarHBondContact CD-OD2 3.44Å; R847-D973 IonicContact CZ-OD2 2.99Å; R847-D973 IonicContact NE-OD2 3.89Å; R847-D973 PolarHBondContact NE-OD2 3.32Å; R847-D973 PolarHBondContact NH2-O 3.49Å
848S92.1Very high91.1Very high15 Ų1526.8 Ų26.811%0.10514%0.135CC..Hα-helixtrans-64.2-35.8-176-73.70000111.9S672 A844 L845 L846 A852S672-S848 PolarHBondContact OG-OG 2.98Å; A844-S848 WeakPolarHBondContact O-CB 3.2Å; A844-S848 PolarHBondContact O-N 2.98Å; A844-S848 PolarHBondContact O-OG 2.84Å; L845-S848 PolarHBondContact O-N 2.92Å; L846-S848 PolarHBondContact O-N 2.86Å; S848-A852 WeakPolarHBondContact O-CB 3.44Å; S848-A852 PolarHBondContact O-N 2.98Å
849L94.2Very high91.5Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-65.4-53171.8-178.363.3000111.2A718 F741 L742 F745 L845 L846 R847 I851 A852 V853A718-L849 HydrophobicContact CB-CD1 4.15Å; F741-L849 HydrophobicContact CE1-CD2 4.1Å; L742-L849 HydrophobicContact CD2-CD2 3.98Å; F745-L849 HydrophobicContact CD1-CD2 3.49Å; F745-L849 VanDerWaalsContact CD1-CD2 3.49Å; F745-L849 HydrophobicContact CE1-CB 4.25Å; F745-L849 HydrophobicContact CE1-CD2 3.69Å; F745-L849 HydrophobicContact CG-CD2 4.12Å; F745-L849 HydrophobicContact CZ-CD2 4.45Å; L845-L849 VanDerWaalsContact O-CB 3.3Å; L845-L849 WeakPolarHBondContact O-CB 3.43Å; L845-L849 PolarHBondContact O-N 3.2Å; L846-L849 PolarHBondContact O-N 2.83Å; R847-L849 VanDerWaalsContact C-N 3.3Å; R847-L849 PolarHBondContact O-N 3.39Å; L849-I851 VanDerWaalsContact C-N 3.33Å; L849-I851 PolarHBondContact O-N 2.95Å; L849-A852 CarbonylContact O-C 3.48Å; L849-A852 WeakPolarHBondContact O-CA 3.28Å; L849-A852 PolarHBondContact O-N 2.95Å; L849-V853 HydrophobicContact CD1-CG1 4.13Å; L849-V853 HydrophobicContact CD1-CG2 4.49Å; L849-V853 HydrophobicContact CG-CG2 4.46Å; L849-V853 VanDerWaalsContact O-CG2 3.26Å; L849-V853 WeakPolarHBondContact O-CG2 3.49Å; L849-V853 PolarHBondContact O-N 2.8Å
850C94.3Very high91.6Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-57-43.7-178.9-710000112.4W23 L846 R847 G854 I855W23-C850 HydrophobicContact CB-CB 3.97Å; W23-C850 HydrophobicContact CD2-CB 4.46Å; W23-C850 HydrophobicContact CE3-CB 3.99Å; L846-C850 WeakPolarHBondContact O-CB 3.45Å; L846-C850 PolarHBondContact O-N 3.36Å; L846-C850 PolarHBondContact O-SG 3.23Å; R847-C850 PolarHBondContact O-N 3.26Å; C850-G854 CarbonylContact O-C 3.54Å; C850-G854 WeakPolarHBondContact O-CA 3.47Å; C850-G854 PolarHBondContact O-N 3.36Å; C850-I855 HydrophobicContact CB-CB 4.26Å; C850-I855 PolarHBondContact O-N 2.89Å
851I91.3Very high91.6Very high71 Ų7135.8 Ų35.836%0.36418%0.183SC..Hα-helixtrans-63.1-43.3172.5-65.4170.6000110.8W23 R847 L849 V853W23-I851 HydrophobicContact CB-CG1 3.84Å; W23-I851 HydrophobicContact CG-CD1 4.46Å; W23-I851 HydrophobicContact CG-CG1 3.99Å; R847-I851 HydrophobicContact CG-CD1 3.68Å; R847-I851 HydrophobicContact CG-CG1 4.46Å; R847-I851 WeakPolarHBondContact O-CG1 3.48Å; R847-I851 PolarHBondContact O-N 3.07Å; L849-I851 VanDerWaalsContact C-N 3.33Å; L849-I851 PolarHBondContact O-N 2.95Å; I851-V853 VanDerWaalsContact C-N 3.34Å; I851-V853 PolarHBondContact O-N 3.14Å
852A91.3Very high91.5Very high28 Ų2836.4 Ų36.423%0.23118%0.181CC..Hα-helixtrans-71.1-21.7-17700000114.3V715 K719 S848 L849 L883V715-A852 HydrophobicContact CG1-CB 4.13Å; K719-A852 HydrophobicContact CD-CB 4.12Å; K719-A852 VanDerWaalsContact CD-O 3.24Å; K719-A852 WeakPolarHBondContact CD-O 3.22Å; K719-A852 WeakPolarHBondContact CE-O 3.47Å; K719-A852 PolarHBondContact NZ-O 3.18Å; S848-A852 WeakPolarHBondContact O-CB 3.44Å; S848-A852 PolarHBondContact O-N 2.98Å; L849-A852 CarbonylContact O-C 3.48Å; L849-A852 WeakPolarHBondContact O-CA 3.28Å; L849-A852 PolarHBondContact O-N 2.95Å; A852-L883 VanDerWaalsContact C-CD1 3.48Å; A852-L883 WeakPolarHBondContact O-CD1 3.45Å
853V93.6Very high91.2Very high9 Ų938.6 Ų38.66%0.05520%0.195CC..Hα-helixtrans-115.4-6.4177-60.90000115.3K719 F722 L849 I851 I855 M880K719-V853 HydrophobicContact CB-CG1 4.05Å; K719-V853 HydrophobicContact CD-CG1 4.05Å; K719-V853 HydrophobicContact CG-CG1 3.76Å; F722-V853 HydrophobicContact CD1-CB 3.74Å; F722-V853 HydrophobicContact CD1-CG1 3.56Å; F722-V853 HydrophobicContact CD1-CG2 4.02Å; F722-V853 HydrophobicContact CE1-CB 3.71Å; F722-V853 HydrophobicContact CE1-CG1 4.09Å; F722-V853 HydrophobicContact CE1-CG2 3.79Å; F722-V853 HydrophobicContact CG-CG1 4.23Å; F722-V853 HydrophobicContact CZ-CG2 4.24Å; L849-V853 HydrophobicContact CD1-CG1 4.13Å; L849-V853 HydrophobicContact CD1-CG2 4.49Å; L849-V853 HydrophobicContact CG-CG2 4.46Å; L849-V853 VanDerWaalsContact O-CG2 3.26Å; L849-V853 WeakPolarHBondContact O-CG2 3.49Å; L849-V853 PolarHBondContact O-N 2.8Å; I851-V853 VanDerWaalsContact C-N 3.34Å; I851-V853 PolarHBondContact O-N 3.14Å; V853-I855 HydrophobicContact CG2-CB 4.47Å; V853-I855 HydrophobicContact CG2-CD1 3.43Å; V853-I855 VanDerWaalsContact CG2-CD1 3.43Å; V853-I855 HydrophobicContact CG2-CG1 3.66Å; V853-M880 VanDerWaalsContact O-CE 3.31Å; V853-M880 WeakPolarHBondContact O-CE 3.4Å
854G92.8Very high90.9Very high5 Ų536.6 Ų36.65%0.05219%0.187CC..THydrogen-bonded Turntrans8712.1176.600000115.7C850 N881C850-G854 CarbonylContact O-C 3.54Å; C850-G854 WeakPolarHBondContact O-CA 3.47Å; C850-G854 PolarHBondContact O-N 3.36Å; G854-N881 WeakPolarHBondContact O-CB 3.06Å; G854-N881 PolarHBondContact O-N 2.75Å
855I94.7Very high90.3Very high1 Ų140.4 Ų40.41%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-69136177.6-61.7160000109.8F722 I738 L742 C850 V853 V857 I877F722-I855 HydrophobicContact CE1-CD1 4.48Å; F722-I855 HydrophobicContact CE2-CD1 4Å; F722-I855 HydrophobicContact CZ-CD1 3.76Å; F722-I855 HydrophobicContact CZ-CG1 4.16Å; I738-I855 HydrophobicContact CG2-CD1 3.65Å; I738-I855 HydrophobicContact CG2-CG1 3.97Å; I738-I855 HydrophobicContact CG2-CG2 4.06Å; L742-I855 HydrophobicContact CD2-CD1 4.37Å; C850-I855 HydrophobicContact CB-CB 4.26Å; C850-I855 PolarHBondContact O-N 2.89Å; V853-I855 HydrophobicContact CG2-CB 4.47Å; V853-I855 HydrophobicContact CG2-CD1 3.43Å; V853-I855 VanDerWaalsContact CG2-CD1 3.43Å; V853-I855 HydrophobicContact CG2-CG1 3.66Å; I855-V857 HydrophobicContact CG2-CG2 3.82Å; I855-I877 HydrophobicContact CG2-CD1 4.43Å
856Q93.4Very high89Confident35 Ų3543.3 Ų43.316%0.16423%0.231CC..EExtended strand (participates in β ladder)trans-111117.8167.7-170.7171.941.900111C22 W23 F24 M878 N879C22-Q856 WeakPolarHBondContact O-CG 3.19Å; C22-Q856 PolarHBondContact O-NE2 3.13Å; W23-Q856 CarbonylContact O-C 3.6Å; W23-Q856 WeakPolarHBondContact O-CA 3.37Å; F24-Q856 PolarHBondContact O-NE2 2.96Å; F24-Q856 VanDerWaalsContact O-NE2 3.14Å; Q856-M878 HydrophobicContact CG-CB 4.47Å; Q856-M878 PolarHBondContact O-N 2.85Å; Q856-N879 HydrophobicContact CB-CB 4.12Å; Q856-N879 PolarHBondContact N-O 2.84Å; Q856-N879 PolarHBondContact O-N 2.92Å
857V93.1Very high87.7Confident2 Ų250.8 Ų50.81%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-99.2147.7-176.7-178.30000111W23 F24 S25 L742 I855 L859 Y862 F872 D876W23-V857 PolarHBondContact O-N 3.06Å; F24-V857 CarbonylContact C-O 3.58Å; F24-V857 WeakPolarHBondContact CA-O 3.2Å; F24-V857 WeakPolarHBondContact CB-O 3.13Å; S25-V857 PolarHBondContact N-O 2.73Å; L742-V857 HydrophobicContact CD1-CG2 4.43Å; I855-V857 HydrophobicContact CG2-CG2 3.82Å; V857-L859 PolarHBondContact O-N 3.26Å; V857-Y862 HydrophobicContact CG1-CE1 4.45Å; V857-Y862 HydrophobicContact CG1-CE2 3.91Å; V857-Y862 WeakPolarHBondContact CG1-OH 3.32Å; V857-F872 HydrophobicContact CG1-CD1 4.33Å; V857-F872 HydrophobicContact CG1-CE1 4.11Å; V857-D876 CarbonylContact C-O 3.42Å; V857-D876 WeakPolarHBondContact CA-O 3.33Å
858K92.1Very high86.1Confident66 Ų6656.4 Ų56.429%0.28730%0.299SS..EExtended strand (participates in β ladder)trans-65.5130.7175.4-174.5175.4-178.3175.80110.6V27 R860 Y862 D876 M878V27-K858 HydrophobicContact CG2-CG 4Å; K858-R860 PolarHBondContact O-N 3.48Å; K858-R860 VanDerWaalsContact O-N 3.14Å; K858-Y862 WeakPolarHBondContact O-CE2 3.46Å; K858-Y862 PolarHBondContact O-OH 2.67Å; K858-D876 HydrophobicContact CB-CB 4.44Å; K858-D876 PolarHBondContact N-O 3.32Å; K858-M878 HydrophobicContact CB-CG 3.81Å; K858-M878 HydrophobicContact CB-SD 3.89Å; K858-M878 HydrophobicContact CD-SD 4.25Å; K858-M878 HydrophobicContact CG-SD 4.07Å
859L90.1Very high85.2Confident90 Ų9063.5 Ų63.547%0.47133%0.328SS..  trans-72108.6175.2-178.165.3000110F24 S25 P26 V857F24-L859 HydrophobicContact CD2-CB 4.28Å; F24-L859 HydrophobicContact CD2-CD1 3.93Å; F24-L859 HydrophobicContact CD2-CD2 4.35Å; F24-L859 HydrophobicContact CD2-CG 4.42Å; F24-L859 HydrophobicContact CE2-CD1 4.29Å; F24-L859 HydrophobicContact CE2-CD2 4.49Å; F24-L859 HydrophobicContact CG-CD1 4.42Å; S25-L859 VanDerWaalsContact O-CB 3.31Å; S25-L859 WeakPolarHBondContact O-CB 3.48Å; S25-L859 PolarHBondContact O-N 3.14Å; P26-L859 HydrophobicContact CB-CD2 4.07Å; V857-L859 PolarHBondContact O-N 3.26Å
860R88.1Confident84.7Confident96 Ų9664.6 Ų64.636%0.36234%0.337SS..SBendtrans-153.8171.2167.362.8175.5179.890.7-9.8108.9K858 Y862 P871 D876K858-R860 PolarHBondContact O-N 3.48Å; K858-R860 VanDerWaalsContact O-N 3.14Å; R860-Y862 HydrophobicContact CG-CD2 4.15Å; R860-Y862 HydrophobicContact CG-CE1 4.03Å; R860-Y862 HydrophobicContact CG-CE2 3.59Å; R860-Y862 VanDerWaalsContact CG-CZ 3.5Å; R860-Y862 WeakPolarHBondContact O-CD2 3.18Å; R860-Y862 WeakPolarHBondContact O-CE2 3.33Å; R860-Y862 PolarHBondContact O-N 3.15Å; R860-P871 PolarHBondContact NH2-O 2.93Å; R860-D876 IonicContact CZ-OD1 2.71Å; R860-D876 IonicContact CZ-OD2 3.54Å; R860-D876 IonicContact NE-OD1 3.89Å; R860-D876 PolarHBondContact NE-OD1 3.01Å; R860-D876 IonicContact NE-OD2 2.85Å; R860-D876 VanDerWaalsContact NH2-CG 3.32Å; R860-D876 IonicContact NH2-OD1 3.06Å; R860-D876 PolarHBondContact NH2-OD1 3.24Å; R860-D876 IonicContact NH2-OD2 3.17Å; R860-D876 PolarHBondContact NH2-OD2 3.28Å
861D86.3Confident84.3Confident162 Ų16265.1 Ų65.187%0.86634%0.34SS*.  trans-74.7119.9172.3-56.4-43.7000109.2
862Y87Confident84.3Confident46 Ų4661.9 Ų61.918%0.1832%0.324CS..  trans-105.1115.5176.6-67.8-88.5000109.3V857 K858 R860 L864 P871 F872 D876V857-Y862 HydrophobicContact CG1-CE1 4.45Å; V857-Y862 HydrophobicContact CG1-CE2 3.91Å; V857-Y862 WeakPolarHBondContact CG1-OH 3.32Å; K858-Y862 WeakPolarHBondContact O-CE2 3.46Å; K858-Y862 PolarHBondContact O-OH 2.67Å; R860-Y862 HydrophobicContact CG-CD2 4.15Å; R860-Y862 HydrophobicContact CG-CE1 4.03Å; R860-Y862 HydrophobicContact CG-CE2 3.59Å; R860-Y862 VanDerWaalsContact CG-CZ 3.5Å; R860-Y862 WeakPolarHBondContact O-CD2 3.18Å; R860-Y862 WeakPolarHBondContact O-CE2 3.33Å; R860-Y862 PolarHBondContact O-N 3.15Å; Y862-L864 PolarHBondContact O-N 3.19Å; Y862-P871 WeakPolarHBondContact CD1-O 3.5Å; Y862-F872 AromaticContact CD1-CD1 3.75Å; Y862-F872 HydrophobicContact CD1-CD1 3.75Å; Y862-F872 AromaticContact CD1-CE1 3.41Å; Y862-F872 HydrophobicContact CD1-CE1 3.41Å; Y862-F872 VanDerWaalsContact CD1-CE1 3.41Å; Y862-F872 HydrophobicContact CD1-CZ 4.03Å; Y862-F872 HydrophobicContact CD2-CE1 4.37Å; Y862-F872 AromaticContact CE1-CD1 3.4Å; Y862-F872 HydrophobicContact CE1-CD1 3.4Å; Y862-F872 VanDerWaalsContact CE1-CD1 3.4Å; Y862-F872 AromaticContact CE1-CE1 3.39Å; Y862-F872 HydrophobicContact CE1-CE1 3.39Å; Y862-F872 HydrophobicContact CE1-CG 4.45Å; Y862-F872 HydrophobicContact CE1-CZ 4.42Å; Y862-F872 HydrophobicContact CE2-CE1 4.36Å; Y862-F872 AromaticContact CG-CE1 3.95Å; Y862-F872 HydrophobicContact CG-CE1 3.95Å; Y862-F872 HydrophobicContact CG-CZ 4.35Å; Y862-F872 AromaticContact CZ-CE1 3.91Å; Y862-D876 HydrophobicContact CE1-CB 4.33Å; Y862-D876 WeakPolarHBondContact OH-CB 3.25Å; Y862-D876 PolarHBondContact OH-OD1 2.8Å
863D84.1Confident84.4Confident88 Ų8863.7 Ų63.747%0.47133%0.332SS..  trans-78.9105.4169.7-168.8-21.8000109.6S865 V866D863-S865 WeakPolarHBondContact OD1-CA 3.45Å; D863-S865 VanDerWaalsContact OD1-CB 3.29Å; D863-S865 WeakPolarHBondContact OD1-CB 3.43Å; D863-S865 PolarHBondContact OD1-N 2.83Å; D863-S865 PolarHBondContact OD1-OG 3Å; D863-V866 PolarHBondContact OD1-N 2.83Å; D863-V866 VanDerWaalsContact OD2-CG2 3.28Å; D863-V866 WeakPolarHBondContact OD2-CG2 3.49Å
864L84.2Confident84.3Confident23 Ų2364.9 Ų64.912%0.1234%0.342CS..  trans-94.79.4176.5-56.7179.1000112.7K842 Y862 P871 F872K842-L864 HydrophobicContact CB-CB 4.45Å; K842-L864 HydrophobicContact CB-CD1 3.82Å; K842-L864 HydrophobicContact CD-CB 3.92Å; K842-L864 PolarHBondContact NZ-O 3.45Å; Y862-L864 PolarHBondContact O-N 3.19Å; L864-P871 HydrophobicContact CD2-CB 3.83Å; L864-P871 HydrophobicContact CD2-CG 3.89Å; L864-F872 HydrophobicContact CD2-CE2 3.93Å; L864-F872 HydrophobicContact CD2-CZ 4.03Å
865S76.2Confident84.3Confident94 Ų9470.6 Ų70.666%0.65737%0.372SS*.SBendtrans-96.6-35.7179.177.60000112.8D863 R867D863-S865 WeakPolarHBondContact OD1-CA 3.45Å; D863-S865 VanDerWaalsContact OD1-CB 3.29Å; D863-S865 WeakPolarHBondContact OD1-CB 3.43Å; D863-S865 PolarHBondContact OD1-N 2.83Å; D863-S865 PolarHBondContact OD1-OG 3Å; S865-R867 PolarHBondContact O-N 2.87Å
866V65.7Low84.2Confident64 Ų6470.7 Ų70.739%0.38837%0.372SS..  trans-67.2122.5-178.4171.70000111.1D863 K869D863-V866 PolarHBondContact OD1-N 2.83Å; D863-V866 VanDerWaalsContact OD2-CG2 3.28Å; D863-V866 WeakPolarHBondContact OD2-CG2 3.49Å; V866-K869 HydrophobicContact CG1-CB 4.3Å
867R64.1Low84.2Confident159 Ų15970 Ų7060%0.637%0.369SS*.SBendtrans-76.6-32177.9-61.3-174.8-178.4-164.3-1113.3S865 K869S865-R867 PolarHBondContact O-N 2.87Å; R867-K869 PolarHBondContact O-N 2.96Å
868C58.5Low84.1Confident131 Ų13174.4 Ų74.489%0.88539%0.391SS*.SBendtrans-86.4-1.7-166.3-52.90000115.7
869K74.9Confident84Confident164 Ų16475 Ų7571%0.71340%0.397SS*.SBendtrans-139.5129.1-178.2-172.9175.5-179.3178.90110.6V866 R867 P871V866-K869 HydrophobicContact CG1-CB 4.3Å; R867-K869 PolarHBondContact O-N 2.96Å; K869-P871 VanDerWaalsContact O-CD 3.26Å; K869-P871 WeakPolarHBondContact O-CD 3.39Å
870A82.7Confident84Confident23 Ų2371.4 Ų71.419%0.1938%0.379CS..  trans-57116.9171.900000110.6I753 F872I753-A870 HydrophobicContact CD1-CB 4.31Å; A870-F872 VanDerWaalsContact C-N 3.32Å; A870-F872 PolarHBondContact O-N 2.82Å
871P86.7Confident84.2Confident11 Ų1167.2 Ų67.27%0.07136%0.363CS..SBendtrans-67.2-29.3-177.821.5-32000113.8N743 T747 R860 Y862 L864 K869N743-P871 WeakPolarHBondContact OD1-CD 3.33Å; N743-P871 WeakPolarHBondContact OD1-CG 3.39Å; T747-P871 HydrophobicContact CG2-CG 3.86Å; R860-P871 PolarHBondContact NH2-O 2.93Å; Y862-P871 WeakPolarHBondContact CD1-O 3.5Å; L864-P871 HydrophobicContact CD2-CB 3.83Å; L864-P871 HydrophobicContact CD2-CG 3.89Å; K869-P871 VanDerWaalsContact O-CD 3.26Å; K869-P871 WeakPolarHBondContact O-CD 3.39Å
872F91.5Very high84.5Confident3 Ų359.8 Ų59.81%0.01332%0.324CS..  trans-110.6136.8-179.2-55.8-78.8000112.3A739 L742 N743 L746 L846 V857 Y862 L864 A870 D876A739-F872 HydrophobicContact CB-CB 4.2Å; L742-F872 HydrophobicContact CB-CD2 3.72Å; L742-F872 HydrophobicContact CB-CE2 4.17Å; L742-F872 HydrophobicContact CB-CG 4.18Å; L742-F872 HydrophobicContact CD1-CD1 4.41Å; L742-F872 HydrophobicContact CD1-CG 4.36Å; N743-F872 PolarHBondContact ND2-O 2.85Å; N743-F872 WeakPolarHBondContact OD1-CD2 3.43Å; N743-F872 PolarHBondContact OD1-N 2.81Å; L746-F872 HydrophobicContact CD1-CE2 3.81Å; L746-F872 HydrophobicContact CD1-CZ 4.26Å; L846-F872 HydrophobicContact CD1-CE1 4.36Å; L846-F872 HydrophobicContact CD1-CE2 4.45Å; L846-F872 HydrophobicContact CD1-CZ 3.87Å; L846-F872 HydrophobicContact CD2-CE1 4.21Å; L846-F872 HydrophobicContact CD2-CZ 3.72Å; L846-F872 HydrophobicContact CG-CZ 4.45Å; V857-F872 HydrophobicContact CG1-CD1 4.33Å; V857-F872 HydrophobicContact CG1-CE1 4.11Å; Y862-F872 AromaticContact CD1-CD1 3.75Å; Y862-F872 HydrophobicContact CD1-CD1 3.75Å; Y862-F872 AromaticContact CD1-CE1 3.41Å; Y862-F872 HydrophobicContact CD1-CE1 3.41Å; Y862-F872 VanDerWaalsContact CD1-CE1 3.41Å; Y862-F872 HydrophobicContact CD1-CZ 4.03Å; Y862-F872 HydrophobicContact CD2-CE1 4.37Å; Y862-F872 AromaticContact CE1-CD1 3.4Å; Y862-F872 HydrophobicContact CE1-CD1 3.4Å; Y862-F872 VanDerWaalsContact CE1-CD1 3.4Å; Y862-F872 AromaticContact CE1-CE1 3.39Å; Y862-F872 HydrophobicContact CE1-CE1 3.39Å; Y862-F872 HydrophobicContact CE1-CG 4.45Å; Y862-F872 HydrophobicContact CE1-CZ 4.42Å; Y862-F872 HydrophobicContact CE2-CE1 4.36Å; Y862-F872 AromaticContact CG-CE1 3.95Å; Y862-F872 HydrophobicContact CG-CE1 3.95Å; Y862-F872 HydrophobicContact CG-CZ 4.35Å; Y862-F872 AromaticContact CZ-CE1 3.91Å; L864-F872 HydrophobicContact CD2-CE2 3.93Å; L864-F872 HydrophobicContact CD2-CZ 4.03Å; A870-F872 VanDerWaalsContact C-N 3.32Å; A870-F872 PolarHBondContact O-N 2.82Å; F872-D876 WeakPolarHBondContact CA-OD2 3.39Å
873T91.9Very high84.8Confident65 Ų6559.4 Ų59.440%0.39932%0.324SS..  trans-117172.4169.667.40000110.8A739 D875 D876A739-T873 WeakPolarHBondContact CB-O 3.29Å; T873-D875 PolarHBondContact O-N 2.88Å; T873-D876 PolarHBondContact N-OD2 3.11Å; T873-D876 WeakPolarHBondContact O-CB 3.2Å; T873-D876 PolarHBondContact O-N 2.86Å; T873-D876 VanDerWaalsContact O-N 3.12Å; T873-D876 PolarHBondContact OG1-OD2 2.85Å
874A91.9Very high85.2Confident34 Ų3457 Ų5728%0.28131%0.313SS..G310 helixtrans-58.4-36.6176.700000112.5A735 D876 I877A735-A874 HydrophobicContact CB-CB 4.22Å; A874-D876 PolarHBondContact O-N 2.98Å; A874-D876 VanDerWaalsContact O-N 3.16Å; A874-I877 PolarHBondContact O-N 3.28Å
875D92.2Very high85.6Confident126 Ų12662.6 Ų62.667%0.67433%0.333SS*.G310 helixtrans-65.7-12.9177.8-62.4-32.4000114.5T873T873-D875 PolarHBondContact O-N 2.88Å
876D92.9Very high86.3Confident3 Ų361.8 Ų61.82%0.01632%0.315CS..G310 helixtrans-86.6-16174.7-63-47.8000112.5V857 K858 R860 Y862 F872 T873 A874 M878V857-D876 CarbonylContact C-O 3.42Å; V857-D876 WeakPolarHBondContact CA-O 3.33Å; K858-D876 HydrophobicContact CB-CB 4.44Å; K858-D876 PolarHBondContact N-O 3.32Å; R860-D876 IonicContact CZ-OD1 2.71Å; R860-D876 IonicContact CZ-OD2 3.54Å; R860-D876 IonicContact NE-OD1 3.89Å; R860-D876 PolarHBondContact NE-OD1 3.01Å; R860-D876 IonicContact NE-OD2 2.85Å; R860-D876 VanDerWaalsContact NH2-CG 3.32Å; R860-D876 IonicContact NH2-OD1 3.06Å; R860-D876 PolarHBondContact NH2-OD1 3.24Å; R860-D876 IonicContact NH2-OD2 3.17Å; R860-D876 PolarHBondContact NH2-OD2 3.28Å; Y862-D876 HydrophobicContact CE1-CB 4.33Å; Y862-D876 WeakPolarHBondContact OH-CB 3.25Å; Y862-D876 PolarHBondContact OH-OD1 2.8Å; F872-D876 WeakPolarHBondContact CA-OD2 3.39Å; T873-D876 PolarHBondContact N-OD2 3.11Å; T873-D876 WeakPolarHBondContact O-CB 3.2Å; T873-D876 PolarHBondContact O-N 2.86Å; T873-D876 VanDerWaalsContact O-N 3.12Å; T873-D876 PolarHBondContact OG1-OD2 2.85Å; A874-D876 PolarHBondContact O-N 2.98Å; A874-D876 VanDerWaalsContact O-N 3.16Å; D876-M878 PolarHBondContact O-N 2.97Å
877I93.9Very high87.4Confident19 Ų1958.9 Ų58.910%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-90.891-179.1-51-51.6000108.7A735 I738 A739 L742 I855 A874A735-I877 HydrophobicContact CB-CB 4.17Å; A735-I877 HydrophobicContact CB-CG2 4.46Å; I738-I877 HydrophobicContact CB-CD1 4.47Å; I738-I877 HydrophobicContact CB-CG1 4.25Å; I738-I877 HydrophobicContact CB-CG2 4.28Å; I738-I877 HydrophobicContact CD1-CG2 4.13Å; I738-I877 HydrophobicContact CG2-CD1 3.71Å; I738-I877 HydrophobicContact CG2-CG1 4Å; I738-I877 HydrophobicContact CG2-CG2 4.06Å; A739-I877 HydrophobicContact CB-CD1 4.5Å; A739-I877 HydrophobicContact CB-CG1 4.15Å; L742-I877 HydrophobicContact CD1-CD1 4.01Å; I855-I877 HydrophobicContact CG2-CD1 4.43Å; A874-I877 PolarHBondContact O-N 3.28Å
878M91.2Very high88.2Confident96 Ų9658.1 Ų58.147%0.47330%0.301SS..EExtended strand (participates in β ladder)trans-73.9-37.3-173.4-63.2-62.5-50.700113Q856 K858 D876Q856-M878 HydrophobicContact CG-CB 4.47Å; Q856-M878 PolarHBondContact O-N 2.85Å; K858-M878 HydrophobicContact CB-CG 3.81Å; K858-M878 HydrophobicContact CB-SD 3.89Å; K858-M878 HydrophobicContact CD-SD 4.25Å; K858-M878 HydrophobicContact CG-SD 4.07Å; D876-M878 PolarHBondContact O-N 2.97Å
879N89.7Confident89.2Confident77 Ų7753.4 Ų53.441%0.41227%0.265SS..EExtended strand (participates in β ladder)trans-161.3162.9177.9-160.39.8000111.6Q856 N881Q856-N879 HydrophobicContact CB-CB 4.12Å; Q856-N879 PolarHBondContact N-O 2.84Å; Q856-N879 PolarHBondContact O-N 2.92Å; N879-N881 PolarHBondContact ND2-OD1 3.07Å
880M90.9Very high89.3Confident16 Ų1649.4 Ų49.48%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-119.1122.4159.2-171.4-176.3-171.500108.5Y192 K193 F722 L726 I738 V853Y192-M880 HydrophobicContact CE2-CB 4.49Å; Y192-M880 HydrophobicContact CE2-CG 4.43Å; Y192-M880 WeakPolarHBondContact CE2-O 3.36Å; K193-M880 HydrophobicContact CB-SD 4.48Å; K193-M880 HydrophobicContact CG-SD 3.94Å; F722-M880 HydrophobicContact CE1-CE 3.95Å; F722-M880 HydrophobicContact CZ-CE 4.49Å; L726-M880 HydrophobicContact CD2-CE 3.62Å; L726-M880 HydrophobicContact CD2-SD 3.56Å; L726-M880 VanDerWaalsContact CD2-SD 3.56Å; I738-M880 HydrophobicContact CD1-SD 4.5Å; V853-M880 VanDerWaalsContact O-CE 3.31Å; V853-M880 WeakPolarHBondContact O-CE 3.4Å
881N91.6Very high89.4Confident8 Ų848.7 Ų48.74%0.04324%0.243CC..PPolyproline II helixtrans-98.2138.2-176.5-63.5-58.4000110.6Y21 G854 N879Y21-N881 HydrophobicContact CD1-CB 3.62Å; Y21-N881 VanDerWaalsContact CD1-OD1 3.3Å; Y21-N881 WeakPolarHBondContact CD1-OD1 3.25Å; Y21-N881 HydrophobicContact CD2-CB 3.85Å; Y21-N881 HydrophobicContact CE1-CB 3.55Å; Y21-N881 WeakPolarHBondContact CE1-OD1 3.36Å; Y21-N881 HydrophobicContact CE2-CB 3.79Å; Y21-N881 HydrophobicContact CG-CB 3.72Å; G854-N881 WeakPolarHBondContact O-CB 3.06Å; G854-N881 PolarHBondContact O-N 2.75Å; N879-N881 PolarHBondContact ND2-OD1 3.07Å
882P92.5Very high89.4Confident5 Ų553 Ų533%0.03226%0.261CS..PPolyproline II helixtrans-63.7138.6169.930.4-39.1000111Y21 T95 I99 V190 E191 Y192Y21-P882 VanDerWaalsContact CE2-O 3.24Å; Y21-P882 WeakPolarHBondContact CE2-O 3.49Å; Y21-P882 VanDerWaalsContact OH-CD 3.31Å; Y21-P882 WeakPolarHBondContact OH-CD 3.47Å; Y21-P882 WeakPolarHBondContact OH-CG 3.3Å; T95-P882 HydrophobicContact CG2-CB 3.99Å; T95-P882 HydrophobicContact CG2-CG 3.44Å; T95-P882 VanDerWaalsContact CG2-CG 3.44Å; I99-P882 HydrophobicContact CD1-CG 4.03Å; I99-P882 HydrophobicContact CG1-CG 4.43Å; V190-P882 HydrophobicContact CG1-CB 3.81Å; E191-P882 CarbonylContact O-C 3.58Å; E191-P882 WeakPolarHBondContact O-CA 2.95Å; Y192-P882 HydrophobicContact CD2-CB 4.2Å; Y192-P882 HydrophobicContact CG-CB 4.47Å
883L93Very high89.3Confident38 Ų3854.5 Ų54.520%0.19927%0.269CS..EExtended strand (participates in β ladder)trans-100.1119.8173.1-60.8178.8000109.5E191 A852E191-L883 HydrophobicContact CB-CB 4.27Å; E191-L883 PolarHBondContact N-O 3.33Å; E191-L883 PolarHBondContact O-N 2.83Å; A852-L883 VanDerWaalsContact C-CD1 3.48Å; A852-L883 WeakPolarHBondContact O-CD1 3.45Å
884V92.9Very high89.3Confident38 Ų3851.4 Ų51.423%0.2325%0.25CS..EExtended strand (participates in β ladder)trans-108.8129.6-170.7-1730000110.6V91 T95 T188 V190V91-V884 HydrophobicContact CG1-CG1 3.69Å; T95-V884 HydrophobicContact CG2-CG2 4.07Å; T95-V884 WeakPolarHBondContact OG1-CG2 3.36Å; T188-V884 WeakPolarHBondContact OG1-CG1 3.23Å; V190-V884 HydrophobicContact CG2-CG1 4.5Å; V190-V884 HydrophobicContact CG2-CG2 4.48Å
885R92.8Very high89.2Confident141 Ų14151 Ų5153%0.53225%0.246SC..EExtended strand (participates in β ladder)trans-109.4135165.6-55.6-57.6-169.9-1732.9108.6L165 L168 T188 V189L165-R885 HydrophobicContact CD2-CB 3.85Å; L165-R885 HydrophobicContact CD2-CG 3.72Å; L168-R885 HydrophobicContact CD2-CB 3.61Å; T188-R885 CarbonylContact C-O 3.52Å; T188-R885 WeakPolarHBondContact CA-O 3.41Å; T188-R885 PolarHBondContact OG1-O 3.01Å; V189-R885 HydrophobicContact CB-CB 4.32Å; V189-R885 PolarHBondContact N-O 2.88Å; V189-R885 PolarHBondContact O-N 2.97Å
886R91.1Very high89.1Confident76 Ų7648.4 Ų48.429%0.28724%0.238SC..EExtended strand (participates in β ladder)trans-150.3165.4-167.462.7-178.3-166.7150.49.8109.7P17 F18 V91P17-R886 PolarHBondContact O-NH1 3.33Å; F18-R886 VanDerWaalsContact CB-CZ 3.45Å; F18-R886 VanDerWaalsContact CB-NH2 3.31Å; V91-R886 HydrophobicContact CG2-CB 3.85Å
887L88Confident89Confident3 Ų348.7 Ų48.72%0.01624%0.24CC..  trans-62.2139.4170.1-56.1-178.1000111.1Y87 L168 V171 Q172 F175 F889Y87-L887 HydrophobicContact CD1-CD1 4.29Å; Y87-L887 HydrophobicContact CE1-CD1 3.56Å; Y87-L887 HydrophobicContact CE1-CG 4.47Å; L168-L887 HydrophobicContact CD1-CD2 3.69Å; L168-L887 HydrophobicContact CD1-CG 4.28Å; V171-L887 HydrophobicContact CB-CD2 4.29Å; V171-L887 HydrophobicContact CG1-CD1 4Å; V171-L887 HydrophobicContact CG1-CD2 3.95Å; Q172-L887 HydrophobicContact CB-CD2 3.98Å; F175-L887 HydrophobicContact CB-CD1 4.49Å; F175-L887 HydrophobicContact CD2-CD1 4.19Å; F175-L887 HydrophobicContact CG-CD1 4.3Å; L887-F889 HydrophobicContact CB-CE2 4.31Å; L887-F889 HydrophobicContact CB-CZ 4.42Å
888Q80.5Confident88.9Confident144 Ų14449.1 Ų49.167%0.67324%0.241SC*.  trans-100.2129.6172.9-65.1-175.1-14.500108.7Q172Q172-Q888 PolarHBondContact NE2-O 3.38Å
889F79.9Confident88.7Confident31 Ų3150.6 Ų50.614%0.13625%0.247CC..  trans-95.4114.5-179.1-65.6-95000108.6L83 Y87 F175 L887 H928L83-F889 HydrophobicContact CB-CD1 4.43Å; L83-F889 HydrophobicContact CB-CE1 4.03Å; Y87-F889 VanDerWaalsContact CB-CZ 3.41Å; Y87-F889 AromaticContact CD1-CZ 3.98Å; Y87-F889 HydrophobicContact CD1-CZ 3.98Å; Y87-F889 AromaticContact CD2-CE1 3.95Å; Y87-F889 HydrophobicContact CD2-CE1 3.95Å; Y87-F889 AromaticContact CD2-CZ 3.52Å; Y87-F889 HydrophobicContact CD2-CZ 3.52Å; Y87-F889 HydrophobicContact CE2-CE1 4.42Å; Y87-F889 HydrophobicContact CE2-CZ 4.17Å; Y87-F889 HydrophobicContact CG-CE1 4.28Å; Y87-F889 HydrophobicContact CG-CE2 4.14Å; Y87-F889 AromaticContact CG-CZ 3.39Å; Y87-F889 HydrophobicContact CG-CZ 3.39Å; F175-F889 AromaticContact CE1-CD1 3.78Å; F175-F889 HydrophobicContact CE1-CD1 3.78Å; F175-F889 AromaticContact CE1-CE1 3.81Å; F175-F889 HydrophobicContact CE1-CE1 3.81Å; F175-F889 AromaticContact CE2-CE1 3.88Å; F175-F889 HydrophobicContact CE2-CE1 3.88Å; F175-F889 AromaticContact CZ-CD1 3.55Å; F175-F889 HydrophobicContact CZ-CD1 3.55Å; F175-F889 AromaticContact CZ-CE1 3.24Å; F175-F889 HydrophobicContact CZ-CE1 3.24Å; F175-F889 HydrophobicContact CZ-CZ 4.19Å; L887-F889 HydrophobicContact CB-CE2 4.31Å; L887-F889 HydrophobicContact CB-CZ 4.42Å; F889-H928 PolarHBondContact O-CE1 3.25Å; F889-H928 VanDerWaalsContact O-CE1 3.23Å
890E77Confident88.7Confident81 Ų8149 Ų4938%0.37924%0.244SC..  trans-84.6113.9168.9-67.7-178.7-177.600108.9R260 K892R260-E890 IonicContact NH2-OE1 2.84Å; R260-E890 PolarHBondContact NH2-OE1 3.04Å; R260-E890 IonicContact NH2-OE2 3.24Å; R260-E890 PolarHBondContact NH2-OE2 3Å; E890-K892 VanDerWaalsContact C-N 3.27Å; E890-K892 PolarHBondContact O-N 3.19Å
891A86.4Confident88.7Confident7 Ų748.2 Ų48.26%0.05824%0.24CC..  trans-7581171.100000109.6D893 G894 A895 Y924 V927A891-D893 VanDerWaalsContact C-N 3.33Å; A891-D893 PolarHBondContact O-N 2.94Å; A891-G894 WeakPolarHBondContact O-CA 3.46Å; A891-G894 PolarHBondContact O-N 2.89Å; A891-A895 PolarHBondContact O-N 3.26Å; A891-Y924 HydrophobicContact CB-CD1 3.84Å; A891-Y924 HydrophobicContact CB-CE1 4.05Å; A891-V927 HydrophobicContact CB-CB 4.15Å; A891-V927 HydrophobicContact CB-CG1 4.12Å; A891-V927 HydrophobicContact CB-CG2 4.09Å
892K86.5Confident88.3Confident103 Ų10349.5 Ų49.545%0.44825%0.248SC..Hα-helixtrans-47.6-48-170.4-65.9-176.5179179.20113.8N176 E890 G894 A895 S896N176-K892 PolarHBondContact O-NZ 2.94Å; E890-K892 VanDerWaalsContact C-N 3.27Å; E890-K892 PolarHBondContact O-N 3.19Å; K892-G894 VanDerWaalsContact C-N 3.32Å; K892-G894 PolarHBondContact O-N 3.28Å; K892-A895 WeakPolarHBondContact O-CB 3.31Å; K892-A895 PolarHBondContact O-N 2.69Å; K892-S896 PolarHBondContact O-N 2.78Å; K892-S896 PolarHBondContact O-OG 2.9Å
893D89.3Confident87.8Confident33 Ų3351.8 Ų51.818%0.17627%0.268CS..Hα-helixtrans-61.2-38.2178.1-59.6-82.4000112.7L73 R76 A891 S897L73-D893 HydrophobicContact CD1-CB 3.69Å; L73-D893 VanDerWaalsContact CD1-CG 3.45Å; L73-D893 WeakPolarHBondContact CD1-OD1 3.48Å; R76-D893 IonicContact CZ-OD1 3.69Å; R76-D893 VanDerWaalsContact CZ-OD1 3.25Å; R76-D893 IonicContact NE-OD1 3.79Å; R76-D893 PolarHBondContact NE-OD1 3.38Å; R76-D893 IonicContact NE-OD2 3.86Å; R76-D893 PolarHBondContact NE-OD2 3.22Å; R76-D893 IonicContact NH2-OD1 3.98Å; R76-D893 PolarHBondContact NH2-OD1 3.07Å; A891-D893 VanDerWaalsContact C-N 3.33Å; A891-D893 PolarHBondContact O-N 2.94Å; D893-S897 WeakPolarHBondContact O-CB 3.44Å; D893-S897 PolarHBondContact O-N 3.45Å
894G90.8Very high87.5Confident1 Ų153.4 Ų53.41%0.0127%0.273CS..Hα-helixtrans-72.1-33.2175.300000113.4A891 K892 Y898 Y924A891-G894 WeakPolarHBondContact O-CA 3.46Å; A891-G894 PolarHBondContact O-N 2.89Å; K892-G894 VanDerWaalsContact C-N 3.32Å; K892-G894 PolarHBondContact O-N 3.28Å; G894-Y898 WeakPolarHBondContact O-CB 3.2Å; G894-Y898 PolarHBondContact O-N 3.45Å; G894-Y924 PolarHBondContact O-OH 2.88Å
895A89.5Confident86.9Confident24 Ų2451.7 Ų51.720%0.19826%0.262CS..Hα-helixtrans-65.6-48.4172.900000111.3A891 K892 S897 Y898 E899 Y924A891-A895 PolarHBondContact O-N 3.26Å; K892-A895 WeakPolarHBondContact O-CB 3.31Å; K892-A895 PolarHBondContact O-N 2.69Å; A895-S897 PolarHBondContact O-N 3.1Å; A895-Y898 WeakPolarHBondContact O-CB 3.02Å; A895-Y898 PolarHBondContact O-N 3.03Å; A895-Y898 VanDerWaalsContact O-N 3.16Å; A895-E899 WeakPolarHBondContact O-CG 3.5Å; A895-E899 PolarHBondContact O-N 3.45Å; A895-Y924 VanDerWaalsContact CA-OH 3.25Å; A895-Y924 WeakPolarHBondContact CA-OH 3.39Å; A895-Y924 PolarHBondContact N-OH 3.17Å
896S90.2Very high86Confident73 Ų7347.8 Ų47.851%0.5125%0.25SS..Hα-helixtrans-63.6-37.8176.7-590000112.9K892 A900K892-S896 PolarHBondContact O-N 2.78Å; K892-S896 PolarHBondContact O-OG 2.9Å; S896-A900 VanDerWaalsContact O-CB 3.25Å; S896-A900 WeakPolarHBondContact O-CB 3.16Å; S896-A900 PolarHBondContact O-N 2.69Å
897S92.1Very high85.4Confident8 Ų847.3 Ų47.36%0.05626%0.263CS..Hα-helixtrans-65.3-40173.1-179.60000111.6D893 A895 A901 L916 E919 A920D893-S897 WeakPolarHBondContact O-CB 3.44Å; D893-S897 PolarHBondContact O-N 3.45Å; A895-S897 PolarHBondContact O-N 3.1Å; S897-A901 WeakPolarHBondContact O-CB 3.3Å; S897-A901 PolarHBondContact O-N 2.9Å; S897-L916 PolarHBondContact OG-O 2.88Å; S897-E919 PolarHBondContact OG-OE2 2.77Å; S897-A920 PolarHBondContact OG-N 2.71Å
898Y91.5Very high84.9Confident29 Ų2949.2 Ų49.211%0.11428%0.283CS..Hα-helixtrans-65.5-45.4174.6-179.8-93.8000113.1H665 G894 A895 A901 V902 L917 K937 L941H665-Y898 PolarHBondContact CD2-OH 3.06Å; G894-Y898 WeakPolarHBondContact O-CB 3.2Å; G894-Y898 PolarHBondContact O-N 3.45Å; A895-Y898 WeakPolarHBondContact O-CB 3.02Å; A895-Y898 PolarHBondContact O-N 3.03Å; A895-Y898 VanDerWaalsContact O-N 3.16Å; Y898-A901 WeakPolarHBondContact O-CB 3.09Å; Y898-A901 PolarHBondContact O-N 3.29Å; Y898-V902 HydrophobicContact CD1-CG2 4.26Å; Y898-V902 HydrophobicContact CE1-CG2 3.82Å; Y898-V902 WeakPolarHBondContact O-CG2 3.35Å; Y898-V902 PolarHBondContact O-N 2.95Å; Y898-L917 HydrophobicContact CD2-CD2 3.76Å; Y898-L917 HydrophobicContact CE2-CD2 3.86Å; Y898-K937 HydrophobicContact CE2-CB 4.28Å; Y898-L941 HydrophobicContact CE2-CD2 4.3Å
899E87.9Confident85.2Confident127 Ų12746.6 Ų46.659%0.59327%0.271SS*.Hα-helixtrans-62.6-42.8176.5-72.8168.4179.800111.4A895 A901 V902 A903A895-E899 WeakPolarHBondContact O-CG 3.5Å; A895-E899 PolarHBondContact O-N 3.45Å; E899-A901 VanDerWaalsContact C-N 3.32Å; E899-A901 PolarHBondContact O-N 3.47Å; E899-V902 PolarHBondContact O-N 2.89Å; E899-A903 PolarHBondContact O-N 2.89Å
900A89.4Confident85.5Confident43 Ų4347.2 Ų47.236%0.35528%0.276SS..Hα-helixtrans-60.9-41.5172.100000111.6S896 A903 K904 L916S896-A900 VanDerWaalsContact O-CB 3.25Å; S896-A900 WeakPolarHBondContact O-CB 3.16Å; S896-A900 PolarHBondContact O-N 2.69Å; A900-A903 PolarHBondContact O-N 3.46Å; A900-K904 WeakPolarHBondContact O-CB 3.42Å; A900-K904 VanDerWaalsContact O-CG 3.3Å; A900-K904 WeakPolarHBondContact O-CG 3.46Å; A900-K904 PolarHBondContact O-N 2.9Å; A900-L916 HydrophobicContact CB-CD1 4.32Å
901A89.6Confident86.2Confident0 Ų047.3 Ų47.30%029%0.285CS..Hα-helixtrans-60.8-46.117600000111.9S897 Y898 E899 K904 L905 L916 L917S897-A901 WeakPolarHBondContact O-CB 3.3Å; S897-A901 PolarHBondContact O-N 2.9Å; Y898-A901 WeakPolarHBondContact O-CB 3.09Å; Y898-A901 PolarHBondContact O-N 3.29Å; E899-A901 VanDerWaalsContact C-N 3.32Å; E899-A901 PolarHBondContact O-N 3.47Å; A901-K904 PolarHBondContact O-N 3.42Å; A901-L905 VanDerWaalsContact O-CG 3.26Å; A901-L905 WeakPolarHBondContact O-CG 3.24Å; A901-L905 PolarHBondContact O-N 3.21Å; A901-L916 HydrophobicContact CB-CB 3.54Å; A901-L917 HydrophobicContact CB-CD2 3.91Å; A901-L917 HydrophobicContact CB-CG 3.85Å
902V83.7Confident86.4Confident34 Ų3449.8 Ų49.821%0.20630%0.297CS..Hα-helixtrans-59.9-48.6176173.60000110.7Y898 E899 K904 L905 E906 L941Y898-V902 HydrophobicContact CD1-CG2 4.26Å; Y898-V902 HydrophobicContact CE1-CG2 3.82Å; Y898-V902 WeakPolarHBondContact O-CG2 3.35Å; Y898-V902 PolarHBondContact O-N 2.95Å; E899-V902 PolarHBondContact O-N 2.89Å; V902-K904 VanDerWaalsContact C-N 3.28Å; V902-K904 PolarHBondContact O-N 3.05Å; V902-L905 WeakPolarHBondContact O-CB 3.15Å; V902-L905 PolarHBondContact O-N 2.89Å; V902-L905 VanDerWaalsContact O-N 3.09Å; V902-E906 HydrophobicContact CG1-CG 4.39Å; V902-E906 PolarHBondContact O-N 3.36Å; V902-L941 HydrophobicContact CG2-CD2 3.85Å
903A81.8Confident86.6Confident54 Ų5444.9 Ų44.945%0.44628%0.276SS..Hα-helixtrans-62.2-32.9178.100000113.1E899 A900 A907E899-A903 PolarHBondContact O-N 2.89Å; A900-A903 PolarHBondContact O-N 3.46Å; A903-A907 WeakPolarHBondContact O-CB 3.34Å; A903-A907 PolarHBondContact O-N 2.83Å; A903-A907 VanDerWaalsContact O-N 3.11Å
904K86Confident86.8Confident72 Ų7244.2 Ų44.231%0.31327%0.272SS..Hα-helixtrans-71.3-36.9173-72.5-51.7-164.1162.60113A900 A901 V902 A907 G908 Q909 L912 L916A900-K904 WeakPolarHBondContact O-CB 3.42Å; A900-K904 VanDerWaalsContact O-CG 3.3Å; A900-K904 WeakPolarHBondContact O-CG 3.46Å; A900-K904 PolarHBondContact O-N 2.9Å; A901-K904 PolarHBondContact O-N 3.42Å; V902-K904 VanDerWaalsContact C-N 3.28Å; V902-K904 PolarHBondContact O-N 3.05Å; K904-A907 PolarHBondContact O-N 2.88Å; K904-G908 PolarHBondContact O-N 3.38Å; K904-Q909 WeakPolarHBondContact O-CA 3.41Å; K904-Q909 WeakPolarHBondContact O-CB 3.46Å; K904-Q909 PolarHBondContact O-N 2.92Å; K904-L912 HydrophobicContact CD-CD2 3.94Å; K904-L912 HydrophobicContact CG-CD2 4.09Å; K904-L912 HydrophobicContact CG-CG 4.36Å; K904-L916 HydrophobicContact CB-CD1 4.37Å; K904-L916 HydrophobicContact CG-CD1 3.76Å
905L81.4Confident87Confident1 Ų150 Ų501%0.00530%0.299CS..Hα-helixtrans-67.4-47.9173.8-69.1171.9000110.9A901 V902 A907 G908 L910 L917 L941 V945 V1169 F1170A901-L905 VanDerWaalsContact O-CG 3.26Å; A901-L905 WeakPolarHBondContact O-CG 3.24Å; A901-L905 PolarHBondContact O-N 3.21Å; V902-L905 WeakPolarHBondContact O-CB 3.15Å; V902-L905 PolarHBondContact O-N 2.89Å; V902-L905 VanDerWaalsContact O-N 3.09Å; L905-A907 PolarHBondContact O-N 3.35Å; L905-G908 WeakPolarHBondContact O-CA 3.44Å; L905-G908 PolarHBondContact O-N 3.41Å; L905-L910 HydrophobicContact CD2-CD2 4.37Å; L905-L917 HydrophobicContact CD1-CD1 3.93Å; L905-L941 HydrophobicContact CD1-CD1 4.45Å; L905-L941 HydrophobicContact CD1-CD2 3.86Å; L905-L941 HydrophobicContact CD1-CG 3.96Å; L905-V945 HydrophobicContact CD1-CG2 3.76Å; L905-V945 HydrophobicContact CD2-CB 4.45Å; L905-V945 HydrophobicContact CD2-CG1 3.93Å; L905-V945 HydrophobicContact CD2-CG2 3.64Å; L905-V945 HydrophobicContact CG-CG2 4.33Å; L905-V1169 CarbonylContact C-O 3.42Å; L905-V1169 HydrophobicContact CB-CG1 3.87Å; L905-V1169 HydrophobicContact CD1-CG1 4.34Å; L905-F1170 VanDerWaalsContact O-CD1 3.3Å; L905-F1170 WeakPolarHBondContact O-CD1 3.49Å
906E73.8Confident87.3Confident59 Ų5950.4 Ų50.428%0.27630%0.298SS..Hα-helixtrans-55.1-40.1174.2-71.6-177.8141.900111.1V902 G908 V1169 K1172V902-E906 HydrophobicContact CG1-CG 4.39Å; V902-E906 PolarHBondContact O-N 3.36Å; E906-G908 PolarHBondContact O-N 3.31Å; E906-G908 VanDerWaalsContact O-N 3.12Å; E906-V1169 WeakPolarHBondContact CA-O 3.25Å; E906-K1172 IonicContact OE1-NZ 3.01Å; E906-K1172 PolarHBondContact OE1-NZ 3.49Å
907A78.2Confident87.5Confident67 Ų6747 Ų4755%0.55427%0.273SS*.THydrogen-bonded Turntrans-73.510173.200000115.7A903 K904 L905 Q909A903-A907 WeakPolarHBondContact O-CB 3.34Å; A903-A907 PolarHBondContact O-N 2.83Å; A903-A907 VanDerWaalsContact O-N 3.11Å; K904-A907 PolarHBondContact O-N 2.88Å; L905-A907 PolarHBondContact O-N 3.35Å; A907-Q909 VanDerWaalsContact C-N 3.29Å; A907-Q909 PolarHBondContact O-N 3Å
908G77.7Confident87.6Confident43 Ų4350.5 Ų50.544%0.44329%0.292SS..THydrogen-bonded Turntrans74.93.9178.300000116.1K904 L905 E906 L910K904-G908 PolarHBondContact O-N 3.38Å; L905-G908 WeakPolarHBondContact O-CA 3.44Å; L905-G908 PolarHBondContact O-N 3.41Å; E906-G908 PolarHBondContact O-N 3.31Å; E906-G908 VanDerWaalsContact O-N 3.12Å; G908-L910 VanDerWaalsContact C-N 3.32Å; G908-L910 PolarHBondContact O-N 2.98Å
909Q86.5Confident87.8Confident88 Ų8853 Ų5341%0.41130%0.304SS..  trans-85.468.7-175.4-60.8-175.8-6.500111.3K904 A907 S911 L912 G913K904-Q909 WeakPolarHBondContact O-CA 3.41Å; K904-Q909 WeakPolarHBondContact O-CB 3.46Å; K904-Q909 PolarHBondContact O-N 2.92Å; A907-Q909 VanDerWaalsContact C-N 3.29Å; A907-Q909 PolarHBondContact O-N 3Å; Q909-S911 PolarHBondContact O-N 3.39Å; Q909-L912 HydrophobicContact CB-CB 4.47Å; Q909-L912 PolarHBondContact O-N 3.45Å; Q909-G913 PolarHBondContact O-N 2.56Å
910L86.8Confident88.1Confident45 Ų4547 Ų4724%0.23628%0.276CS..Hα-helixtrans-55.4-46.8-168.9-51.4-169.6000114.8L905 G908 G913 L914 V945 V948 M949 F1170L905-L910 HydrophobicContact CD2-CD2 4.37Å; G908-L910 VanDerWaalsContact C-N 3.32Å; G908-L910 PolarHBondContact O-N 2.98Å; L910-G913 PolarHBondContact O-N 3.23Å; L910-L914 WeakPolarHBondContact O-CG 3.26Å; L910-L914 PolarHBondContact O-N 3.46Å; L910-V945 HydrophobicContact CB-CG1 4.25Å; L910-V945 HydrophobicContact CD2-CG1 4.48Å; L910-V948 HydrophobicContact CD1-CG1 4.43Å; L910-M949 HydrophobicContact CB-CG 4.49Å; L910-M949 HydrophobicContact CB-SD 4.11Å; L910-M949 HydrophobicContact CD1-CG 3.83Å; L910-M949 HydrophobicContact CD1-SD 4.47Å; L910-F1170 HydrophobicContact CD2-CD1 3.63Å; L910-F1170 HydrophobicContact CD2-CE1 3.08Å; L910-F1170 HydrophobicContact CD2-CZ 3.65Å
911S90.5Very high88.4Confident82 Ų8245.9 Ų45.957%0.57327%0.267SS*.Hα-helixtrans-64.1-51.5-177.347.90000111.7Q909 G913 L914 E915Q909-S911 PolarHBondContact O-N 3.39Å; S911-G913 VanDerWaalsContact C-N 3.31Å; S911-G913 PolarHBondContact O-N 3.24Å; S911-L914 WeakPolarHBondContact O-CB 3.49Å; S911-L914 PolarHBondContact O-N 3.37Å; S911-L914 VanDerWaalsContact O-N 3.09Å; S911-E915 PolarHBondContact O-N 3.28Å
912L91.7Very high88.6Confident59 Ų5952 Ų5231%0.30930%0.296SS..Hα-helixtrans-62.7-38.2177.2-17563.5000111.6K904 Q909 L914 E915 L916K904-L912 HydrophobicContact CD-CD2 3.94Å; K904-L912 HydrophobicContact CG-CD2 4.09Å; K904-L912 HydrophobicContact CG-CG 4.36Å; Q909-L912 HydrophobicContact CB-CB 4.47Å; Q909-L912 PolarHBondContact O-N 3.45Å; L912-L914 VanDerWaalsContact C-N 3.32Å; L912-L914 PolarHBondContact O-N 3.18Å; L912-E915 PolarHBondContact O-N 3.06Å; L912-L916 HydrophobicContact CG-CD1 4.27Å; L912-L916 WeakPolarHBondContact O-CG 3.34Å; L912-L916 PolarHBondContact O-N 3.3Å
913G90.5Very high89.1Confident0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-60.2-39.3172.600000112.8Q909 L910 S911 L917Q909-G913 PolarHBondContact O-N 2.56Å; L910-G913 PolarHBondContact O-N 3.23Å; S911-G913 VanDerWaalsContact C-N 3.31Å; S911-G913 PolarHBondContact O-N 3.24Å; G913-L917 WeakPolarHBondContact O-CB 3.5Å; G913-L917 VanDerWaalsContact O-CG 3.29Å; G913-L917 WeakPolarHBondContact O-CG 3.45Å; G913-L917 PolarHBondContact O-N 3.06Å
914L93.2Very high89.7Confident20 Ų2048.9 Ų48.911%0.10527%0.27CS..Hα-helixtrans-71.1-36.8175.5-78.2168.7000113.5L910 S911 L912 L917 N918 T942 V945 M949L910-L914 WeakPolarHBondContact O-CG 3.26Å; L910-L914 PolarHBondContact O-N 3.46Å; S911-L914 WeakPolarHBondContact O-CB 3.49Å; S911-L914 PolarHBondContact O-N 3.37Å; S911-L914 VanDerWaalsContact O-N 3.09Å; L912-L914 VanDerWaalsContact C-N 3.32Å; L912-L914 PolarHBondContact O-N 3.18Å; L914-L917 PolarHBondContact O-N 3.11Å; L914-N918 PolarHBondContact O-N 2.8Å; L914-N918 PolarHBondContact O-ND2 3.1Å; L914-T942 HydrophobicContact CD2-CG2 3.74Å; L914-V945 HydrophobicContact CD1-CG1 3.82Å; L914-V945 HydrophobicContact CD2-CB 4.01Å; L914-V945 HydrophobicContact CD2-CG1 4.1Å; L914-V945 HydrophobicContact CG-CB 4.26Å; L914-V945 HydrophobicContact CG-CG1 3.79Å; L914-M949 HydrophobicContact CD1-CE 3.2Å; L914-M949 HydrophobicContact CD1-SD 3.63Å
915E95.1Very high89.9Confident122 Ų12246.5 Ų46.557%0.5727%0.266SS*.Hα-helixtrans-60.9-49.5173.3-72.2169.3-163.700110.6S911 L912 L917 N918 E919S911-E915 PolarHBondContact O-N 3.28Å; L912-E915 PolarHBondContact O-N 3.06Å; E915-L917 PolarHBondContact O-N 2.96Å; E915-N918 PolarHBondContact O-N 2.95Å; E915-E919 PolarHBondContact O-N 2.79Å
916L94.9Very high90.3Very high33 Ų3350.3 Ų50.317%0.17329%0.286CS..Hα-helixtrans-63.9-36.9176.1-66.6169.7000112.7S897 A900 A901 K904 L912 N918 E919 A920S897-L916 PolarHBondContact OG-O 2.88Å; A900-L916 HydrophobicContact CB-CD1 4.32Å; A901-L916 HydrophobicContact CB-CB 3.54Å; K904-L916 HydrophobicContact CB-CD1 4.37Å; K904-L916 HydrophobicContact CG-CD1 3.76Å; L912-L916 HydrophobicContact CG-CD1 4.27Å; L912-L916 WeakPolarHBondContact O-CG 3.34Å; L912-L916 PolarHBondContact O-N 3.3Å; L916-N918 VanDerWaalsContact C-N 3.33Å; L916-N918 PolarHBondContact O-N 3.41Å; L916-E919 PolarHBondContact O-N 3.2Å; L916-A920 WeakPolarHBondContact O-CB 3.09Å; L916-A920 PolarHBondContact O-N 3.05Å
917L94.4Very high90.9Very high0 Ų047.8 Ų47.80%028%0.275CS..Hα-helixtrans-64.7-36.3173.4-78.3176.3000113Y898 A901 L905 G913 L914 E915 A921 L941Y898-L917 HydrophobicContact CD2-CD2 3.76Å; Y898-L917 HydrophobicContact CE2-CD2 3.86Å; A901-L917 HydrophobicContact CB-CD2 3.91Å; A901-L917 HydrophobicContact CB-CG 3.85Å; L905-L917 HydrophobicContact CD1-CD1 3.93Å; G913-L917 WeakPolarHBondContact O-CB 3.5Å; G913-L917 VanDerWaalsContact O-CG 3.29Å; G913-L917 WeakPolarHBondContact O-CG 3.45Å; G913-L917 PolarHBondContact O-N 3.06Å; L914-L917 PolarHBondContact O-N 3.11Å; E915-L917 PolarHBondContact O-N 2.96Å; L917-A921 WeakPolarHBondContact O-CB 3.41Å; L917-A921 PolarHBondContact O-N 3.49Å; L917-L941 HydrophobicContact CD1-CB 4.06Å; L917-L941 HydrophobicContact CD1-CD2 4.25Å; L917-L941 HydrophobicContact CD1-CG 3.93Å; L917-L941 HydrophobicContact CD2-CB 4.45Å; L917-L941 HydrophobicContact CD2-CD2 4.15Å
918N94.8Very high91.3Very high83 Ų8345.3 Ų45.344%0.44425%0.251SS..Hα-helixtrans-70.4-39.2174.8-76.1-56.5000111.3L914 E915 L916 A921 Q922L914-N918 PolarHBondContact O-N 2.8Å; L914-N918 PolarHBondContact O-ND2 3.1Å; E915-N918 PolarHBondContact O-N 2.95Å; L916-N918 VanDerWaalsContact C-N 3.33Å; L916-N918 PolarHBondContact O-N 3.41Å; N918-A921 PolarHBondContact O-N 2.86Å; N918-Q922 VanDerWaalsContact O-CG 3.28Å; N918-Q922 WeakPolarHBondContact O-CG 3.35Å; N918-Q922 PolarHBondContact O-N 3.46Å
919E95.4Very high91.6Very high81 Ų8144.8 Ų44.838%0.37925%0.247SC..Hα-helixtrans-59.8-54.3171.9-172.1-165.4-163.900110.8S897 E915 L916 A921 Q922 L923S897-E919 PolarHBondContact OG-OE2 2.77Å; E915-E919 PolarHBondContact O-N 2.79Å; L916-E919 PolarHBondContact O-N 3.2Å; E919-A921 VanDerWaalsContact C-N 3.3Å; E919-A921 PolarHBondContact O-N 2.7Å; E919-Q922 CarbonylContact O-C 3.59Å; E919-Q922 WeakPolarHBondContact O-CA 3.08Å; E919-Q922 WeakPolarHBondContact O-CB 3.3Å; E919-Q922 PolarHBondContact O-N 2.78Å; E919-L923 HydrophobicContact CG-CD1 3.96Å; E919-L923 HydrophobicContact CG-CG 4.32Å; E919-L923 WeakPolarHBondContact O-CG 3.41Å; E919-L923 PolarHBondContact O-N 3Å
920A95.4Very high91.5Very high0 Ų043.3 Ų43.30%025%0.246CC..Hα-helixtrans-53.3-46.2177.100000112S897 L916 Q922 L923 Y924S897-A920 PolarHBondContact OG-N 2.71Å; L916-A920 WeakPolarHBondContact O-CB 3.09Å; L916-A920 PolarHBondContact O-N 3.05Å; A920-Q922 VanDerWaalsContact C-N 3.32Å; A920-Q922 PolarHBondContact O-N 3.18Å; A920-L923 PolarHBondContact O-N 2.76Å; A920-Y924 HydrophobicContact CB-CE2 4.26Å; A920-Y924 WeakPolarHBondContact O-CD2 3.47Å; A920-Y924 PolarHBondContact O-N 3.42Å
921A94.9Very high91.5Very high20 Ų2041.2 Ų41.217%0.16524%0.235CC..Hα-helixtrans-61.1-36.9176.300000113.1L917 N918 E919 G925 C938L917-A921 WeakPolarHBondContact O-CB 3.41Å; L917-A921 PolarHBondContact O-N 3.49Å; N918-A921 PolarHBondContact O-N 2.86Å; E919-A921 VanDerWaalsContact C-N 3.3Å; E919-A921 PolarHBondContact O-N 2.7Å; A921-G925 PolarHBondContact O-N 3.09Å; A921-C938 HydrophobicContact CB-CB 3.96Å
922Q94.4Very high91.5Very high130 Ų13038.5 Ų38.561%0.60721%0.213SC*.Hα-helixtrans-70.3-42.9174.3-70.5172.735.700111.9N918 E919 A920 G925 N926N918-Q922 VanDerWaalsContact O-CG 3.28Å; N918-Q922 WeakPolarHBondContact O-CG 3.35Å; N918-Q922 PolarHBondContact O-N 3.46Å; E919-Q922 CarbonylContact O-C 3.59Å; E919-Q922 WeakPolarHBondContact O-CA 3.08Å; E919-Q922 WeakPolarHBondContact O-CB 3.3Å; E919-Q922 PolarHBondContact O-N 2.78Å; A920-Q922 VanDerWaalsContact C-N 3.32Å; A920-Q922 PolarHBondContact O-N 3.18Å; Q922-G925 PolarHBondContact O-N 2.83Å; Q922-N926 WeakPolarHBondContact O-CB 3.44Å; Q922-N926 VanDerWaalsContact O-CG 3.27Å; Q922-N926 PolarHBondContact O-N 2.83Å; Q922-N926 PolarHBondContact O-ND2 3.04Å
923L94.2Very high91.3Very high13 Ų1336.7 Ų36.77%0.06821%0.205CC..Hα-helixtrans-60.5-47.3176.6-65.8170.7000111.1L73 L77 E919 A920 G925 N926 V927L73-L923 HydrophobicContact CD1-CD2 4.43Å; L77-L923 HydrophobicContact CD1-CD2 3.69Å; L77-L923 HydrophobicContact CD2-CD2 3.92Å; L77-L923 HydrophobicContact CG-CD2 4.37Å; E919-L923 HydrophobicContact CG-CD1 3.96Å; E919-L923 HydrophobicContact CG-CG 4.32Å; E919-L923 WeakPolarHBondContact O-CG 3.41Å; E919-L923 PolarHBondContact O-N 3Å; A920-L923 PolarHBondContact O-N 2.76Å; L923-G925 PolarHBondContact O-N 3.39Å; L923-N926 PolarHBondContact O-N 3.29Å; L923-V927 PolarHBondContact O-N 2.99Å
924Y93.5Very high91.3Very high8 Ų838.8 Ų38.83%0.03122%0.215CC..Hα-helixtrans-61.3-42.4172.3-69.7-54.5000112.4A891 G894 A895 A920 N926 V927 H928 E934A891-Y924 HydrophobicContact CB-CD1 3.84Å; A891-Y924 HydrophobicContact CB-CE1 4.05Å; G894-Y924 PolarHBondContact O-OH 2.88Å; A895-Y924 VanDerWaalsContact CA-OH 3.25Å; A895-Y924 WeakPolarHBondContact CA-OH 3.39Å; A895-Y924 PolarHBondContact N-OH 3.17Å; A920-Y924 HydrophobicContact CB-CE2 4.26Å; A920-Y924 WeakPolarHBondContact O-CD2 3.47Å; A920-Y924 PolarHBondContact O-N 3.42Å; Y924-N926 VanDerWaalsContact C-N 3.31Å; Y924-N926 PolarHBondContact O-N 3.14Å; Y924-V927 PolarHBondContact O-N 2.79Å; Y924-H928 PolarHBondContact O-N 3.41Å; Y924-E934 HydrophobicContact CD1-CB 3.64Å; Y924-E934 HydrophobicContact CD1-CG 4.18Å; Y924-E934 HydrophobicContact CD2-CB 3.83Å; Y924-E934 HydrophobicContact CE1-CB 3.6Å; Y924-E934 HydrophobicContact CE1-CG 3.86Å; Y924-E934 HydrophobicContact CE2-CB 3.81Å; Y924-E934 HydrophobicContact CG-CB 3.77Å
925G90.4Very high91.3Very high22 Ų2238.5 Ų38.523%0.22721%0.213CC..Hα-helixtrans-61.3-36.6177.300000113.5A921 Q922 L923 G929A921-G925 PolarHBondContact O-N 3.09Å; Q922-G925 PolarHBondContact O-N 2.83Å; L923-G925 PolarHBondContact O-N 3.39Å; G925-G929 CarbonylContact O-C 3.55Å; G925-G929 WeakPolarHBondContact O-CA 3.42Å; G925-G929 PolarHBondContact O-N 3.37Å
926N89.4Confident91.2Very high82 Ų8232.7 Ų32.744%0.43919%0.186SC..Hα-helixtrans-70.1-32.5177.3-75.2-29.5000112.9R81 Q922 L923 Y924R81-N926 WeakPolarHBondContact CD-O 3.45Å; R81-N926 VanDerWaalsContact CG-O 3.31Å; R81-N926 WeakPolarHBondContact CG-O 3.47Å; Q922-N926 WeakPolarHBondContact O-CB 3.44Å; Q922-N926 VanDerWaalsContact O-CG 3.27Å; Q922-N926 PolarHBondContact O-N 2.83Å; Q922-N926 PolarHBondContact O-ND2 3.04Å; L923-N926 PolarHBondContact O-N 3.29Å; Y924-N926 VanDerWaalsContact C-N 3.31Å; Y924-N926 PolarHBondContact O-N 3.14Å
927V87.1Confident90.9Very high6 Ų634.8 Ų34.84%0.03619%0.194CC..Hα-helixtrans-87.5-49.9-178.6174.50000112.3L77 T80 S84 A891 L923 Y924L77-V927 HydrophobicContact CD2-CG2 3.86Å; T80-V927 HydrophobicContact CG2-CG1 3.59Å; T80-V927 HydrophobicContact CG2-CG2 4.31Å; S84-V927 PolarHBondContact OG-O 3.41Å; A891-V927 HydrophobicContact CB-CB 4.15Å; A891-V927 HydrophobicContact CB-CG1 4.12Å; A891-V927 HydrophobicContact CB-CG2 4.09Å; L923-V927 PolarHBondContact O-N 2.99Å; Y924-V927 PolarHBondContact O-N 2.79Å
928H85.5Confident90.9Very high14 Ų1434.8 Ų34.87%0.06519%0.194CC..Hα-helixtrans-99-11.1-172-55.5-61.9000114F889 Y924 H932F889-H928 PolarHBondContact O-CE1 3.25Å; F889-H928 VanDerWaalsContact O-CE1 3.23Å; Y924-H928 PolarHBondContact O-N 3.41Å; H928-H932 HydrophobicContact CB-CB 3.78Å; H928-H932 AromaticContact CD2-CE1 3.58Å; H928-H932 AromaticContact CD2-CG 3.72Å; H928-H932 AromaticContact CD2-ND1 3.33Å; H928-H932 PolarHBondContact CD2-ND1 3.22Å; H928-H932 VanDerWaalsContact CD2-ND1 3.33Å; H928-H932 AromaticContact CE1-CE1 3.82Å; H928-H932 AromaticContact CG-CD2 3.68Å; H928-H932 AromaticContact CG-CE1 3.76Å; H928-H932 AromaticContact CG-CG 3.63Å; H928-H932 AromaticContact CG-ND1 3.67Å; H928-H932 AromaticContact CG-NE2 3.81Å; H928-H932 AromaticContact ND1-CE1 3.92Å; H928-H932 AromaticContact ND1-NE2 3.81Å; H928-H932 AromaticContact NE2-CE1 3.62Å; H928-H932 AromaticContact NE2-ND1 3.79Å
929G84.6Confident90.8Very high33 Ų3331.8 Ų31.834%0.3418%0.178SC..  trans86.4-179.2-167.800000112.7G925 V931 I935G925-G929 CarbonylContact O-C 3.55Å; G925-G929 WeakPolarHBondContact O-CA 3.42Å; G925-G929 PolarHBondContact O-N 3.37Å; G929-V931 VanDerWaalsContact C-N 3.26Å; G929-V931 PolarHBondContact O-N 3.36Å; G929-V931 VanDerWaalsContact O-N 3.11Å; G929-I935 VanDerWaalsContact O-CD1 3.28Å; G929-I935 WeakPolarHBondContact O-CD1 3.13Å
930S84.9Confident90.5Very high56 Ų5629.6 Ų29.639%0.39217%0.166SC..SBendtrans-74.2-2.3-163.856.20000116.7M965S930-M965 VanDerWaalsContact O-CE 3.26Å; S930-M965 WeakPolarHBondContact O-CE 3.31Å
931V87.1Confident90.2Very high2 Ų229.9 Ų29.91%0.01217%0.167CC..  trans-140.2109.1177.8-175.70000109.7F11 V14 L16 G929 M965F11-V931 HydrophobicContact CB-CG2 4.17Å; F11-V931 HydrophobicContact CD1-CG2 4.03Å; F11-V931 HydrophobicContact CG-CG2 4.38Å; V14-V931 HydrophobicContact CB-CG2 4.39Å; V14-V931 HydrophobicContact CG1-CG2 4.25Å; L16-V931 HydrophobicContact CD2-CB 3.86Å; L16-V931 HydrophobicContact CD2-CG1 3.52Å; G929-V931 VanDerWaalsContact C-N 3.26Å; G929-V931 PolarHBondContact O-N 3.36Å; G929-V931 VanDerWaalsContact O-N 3.11Å; V931-M965 HydrophobicContact CG1-CB 4.11Å; V931-M965 HydrophobicContact CG1-CG 3.97Å; V931-M965 HydrophobicContact CG1-SD 4.47Å; V931-M965 HydrophobicContact CG2-CE 4.48Å; V931-M965 HydrophobicContact CG2-CG 4.4Å
932H89.6Confident90Very high24 Ų2429.2 Ų29.211%0.11116%0.161CC..  trans-151.1147.6180-166.3-109.2000110.8H928 E934 I935 I936H928-H932 HydrophobicContact CB-CB 3.78Å; H928-H932 AromaticContact CD2-CE1 3.58Å; H928-H932 AromaticContact CD2-CG 3.72Å; H928-H932 AromaticContact CD2-ND1 3.33Å; H928-H932 PolarHBondContact CD2-ND1 3.22Å; H928-H932 VanDerWaalsContact CD2-ND1 3.33Å; H928-H932 AromaticContact CE1-CE1 3.82Å; H928-H932 AromaticContact CG-CD2 3.68Å; H928-H932 AromaticContact CG-CE1 3.76Å; H928-H932 AromaticContact CG-CG 3.63Å; H928-H932 AromaticContact CG-ND1 3.67Å; H928-H932 AromaticContact CG-NE2 3.81Å; H928-H932 AromaticContact ND1-CE1 3.92Å; H928-H932 AromaticContact ND1-NE2 3.81Å; H928-H932 AromaticContact NE2-CE1 3.62Å; H928-H932 AromaticContact NE2-ND1 3.79Å; H932-E934 VanDerWaalsContact C-N 3.25Å; H932-E934 PolarHBondContact O-N 2.83Å; H932-E934 VanDerWaalsContact O-N 3.16Å; H932-I935 HydrophobicContact CB-CD1 4.01Å; H932-I935 HydrophobicContact CB-CG1 4.21Å; H932-I935 WeakPolarHBondContact O-CB 3.5Å; H932-I935 PolarHBondContact O-N 2.88Å; H932-I936 PolarHBondContact O-N 3.43Å
933P88.6Confident89.9Confident22 Ų2223 Ų2314%0.14313%0.132CC..Hα-helixtrans-47.4-39.7175.9-3540.5000115.8F18 I935 I936 K937 C969F18-P933 HydrophobicContact CZ-CG 4.28Å; P933-I935 PolarHBondContact O-N 2.86Å; P933-I936 VanDerWaalsContact O-CB 3.31Å; P933-I936 WeakPolarHBondContact O-CB 3.45Å; P933-I936 PolarHBondContact O-N 2.79Å; P933-I936 VanDerWaalsContact O-N 3.16Å; P933-K937 PolarHBondContact O-N 2.86Å; P933-K937 VanDerWaalsContact O-N 3.15Å; P933-C969 HydrophobicContact CG-CB 4.29Å
934E90.8Very high89.4Confident44 Ų4425 Ų2521%0.20614%0.139CC..Hα-helixtrans-67.4-35.3179.3-57.4-49.2126.900113.2Y924 H932 I936 K937 C938Y924-E934 HydrophobicContact CD1-CB 3.64Å; Y924-E934 HydrophobicContact CD1-CG 4.18Å; Y924-E934 HydrophobicContact CD2-CB 3.83Å; Y924-E934 HydrophobicContact CE1-CB 3.6Å; Y924-E934 HydrophobicContact CE1-CG 3.86Å; Y924-E934 HydrophobicContact CE2-CB 3.81Å; Y924-E934 HydrophobicContact CG-CB 3.77Å; H932-E934 VanDerWaalsContact C-N 3.25Å; H932-E934 PolarHBondContact O-N 2.83Å; H932-E934 VanDerWaalsContact O-N 3.16Å; E934-I936 VanDerWaalsContact C-N 3.26Å; E934-I936 PolarHBondContact O-N 3.42Å; E934-K937 WeakPolarHBondContact O-CB 3.3Å; E934-K937 PolarHBondContact O-N 2.91Å; E934-K937 WeakPolarHBondContact OE1-CE 3.01Å; E934-K937 IonicContact OE1-NZ 3.34Å; E934-K937 PolarHBondContact OE1-NZ 3.11Å; E934-K937 WeakPolarHBondContact OE2-CD 3.37Å; E934-K937 VanDerWaalsContact OE2-CE 3.25Å; E934-K937 WeakPolarHBondContact OE2-CE 3.36Å; E934-K937 IonicContact OE2-NZ 3.72Å; E934-K937 PolarHBondContact OE2-NZ 3.3Å; E934-C938 PolarHBondContact O-N 3.22Å; E934-C938 VanDerWaalsContact O-N 3.12Å; E934-C938 PolarHBondContact O-SG 2.91Å
935I92.7Very high89.1Confident13 Ų1324.7 Ų24.77%0.06714%0.138CC..Hα-helixtrans-65.4-34.6173.7-57.9171.2000110.1G929 H932 P933 C938 L939 M965G929-I935 VanDerWaalsContact O-CD1 3.28Å; G929-I935 WeakPolarHBondContact O-CD1 3.13Å; H932-I935 HydrophobicContact CB-CD1 4.01Å; H932-I935 HydrophobicContact CB-CG1 4.21Å; H932-I935 WeakPolarHBondContact O-CB 3.5Å; H932-I935 PolarHBondContact O-N 2.88Å; P933-I935 PolarHBondContact O-N 2.86Å; I935-C938 PolarHBondContact O-N 2.99Å; I935-L939 HydrophobicContact CG2-CD1 4.02Å; I935-L939 HydrophobicContact CG2-CG 4.33Å; I935-L939 WeakPolarHBondContact O-CB 3.45Å; I935-L939 WeakPolarHBondContact O-CG 3.48Å; I935-L939 PolarHBondContact O-N 3.41Å; I935-M965 HydrophobicContact CG2-CE 4.29Å; I935-M965 HydrophobicContact CG2-SD 4.07Å
936I92.3Very high89.1Confident0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-64.4-42.3175.2-56.2174.7000110.5H932 P933 E934 C938 L939 R940 A962 M965 T966 C969 Y970H932-I936 PolarHBondContact O-N 3.43Å; P933-I936 VanDerWaalsContact O-CB 3.31Å; P933-I936 WeakPolarHBondContact O-CB 3.45Å; P933-I936 PolarHBondContact O-N 2.79Å; P933-I936 VanDerWaalsContact O-N 3.16Å; E934-I936 VanDerWaalsContact C-N 3.26Å; E934-I936 PolarHBondContact O-N 3.42Å; I936-C938 VanDerWaalsContact C-N 3.35Å; I936-C938 PolarHBondContact O-N 2.87Å; I936-L939 PolarHBondContact O-N 3.17Å; I936-R940 HydrophobicContact CG2-CG 4.32Å; I936-R940 VanDerWaalsContact CG2-CZ 3.48Å; I936-R940 WeakPolarHBondContact O-CB 3.34Å; I936-R940 VanDerWaalsContact O-CG 3.29Å; I936-R940 WeakPolarHBondContact O-CG 3.49Å; I936-R940 PolarHBondContact O-N 3.44Å; I936-A962 HydrophobicContact CG2-CB 4.29Å; I936-M965 HydrophobicContact CD1-CB 3.71Å; I936-M965 HydrophobicContact CG1-CB 3.59Å; I936-M965 HydrophobicContact CG1-SD 4.27Å; I936-T966 VanDerWaalsContact CG2-OG1 3.31Å; I936-T966 WeakPolarHBondContact CG2-OG1 3.4Å; I936-C969 HydrophobicContact CD1-CB 3.95Å; I936-Y970 HydrophobicContact CD1-CE2 4.16Å
937K89.2Confident88.9Confident78 Ų7820.2 Ų20.234%0.33911%0.109SC..Hα-helixtrans-59.3-46.2175.3-61.5-177.8-163.4161.60111.2Y898 P933 E934 L941Y898-K937 HydrophobicContact CE2-CB 4.28Å; P933-K937 PolarHBondContact O-N 2.86Å; P933-K937 VanDerWaalsContact O-N 3.15Å; E934-K937 WeakPolarHBondContact O-CB 3.3Å; E934-K937 PolarHBondContact O-N 2.91Å; E934-K937 WeakPolarHBondContact OE1-CE 3.01Å; E934-K937 IonicContact OE1-NZ 3.34Å; E934-K937 PolarHBondContact OE1-NZ 3.11Å; E934-K937 WeakPolarHBondContact OE2-CD 3.37Å; E934-K937 VanDerWaalsContact OE2-CE 3.25Å; E934-K937 WeakPolarHBondContact OE2-CE 3.36Å; E934-K937 IonicContact OE2-NZ 3.72Å; E934-K937 PolarHBondContact OE2-NZ 3.3Å; K937-L941 PolarHBondContact O-N 2.87Å; K937-L941 VanDerWaalsContact O-N 3.1Å
938C93Very high88.7Confident0 Ų021.1 Ų21.10%012%0.115CC..Hα-helixtrans-57.4-55.7175.2-58.50000110.9A921 E934 I935 I936 R940 L941 T942A921-C938 HydrophobicContact CB-CB 3.96Å; E934-C938 PolarHBondContact O-N 3.22Å; E934-C938 VanDerWaalsContact O-N 3.12Å; E934-C938 PolarHBondContact O-SG 2.91Å; I935-C938 PolarHBondContact O-N 2.99Å; I936-C938 VanDerWaalsContact C-N 3.35Å; I936-C938 PolarHBondContact O-N 2.87Å; C938-R940 VanDerWaalsContact C-N 3.34Å; C938-R940 PolarHBondContact O-N 2.99Å; C938-L941 PolarHBondContact O-N 2.88Å; C938-L941 VanDerWaalsContact O-N 3.1Å; C938-T942 WeakPolarHBondContact O-CB 3.38Å; C938-T942 PolarHBondContact O-N 3.38Å; C938-T942 PolarHBondContact O-OG1 3.45Å
939L94.1Very high88.7Confident20 Ų2024.4 Ų24.411%0.10513%0.131CC..Hα-helixtrans-59.2-38.9-177.8-73.2171.2000113.8I935 I936 A943 N958 K961 A962 M965I935-L939 HydrophobicContact CG2-CD1 4.02Å; I935-L939 HydrophobicContact CG2-CG 4.33Å; I935-L939 WeakPolarHBondContact O-CB 3.45Å; I935-L939 WeakPolarHBondContact O-CG 3.48Å; I935-L939 PolarHBondContact O-N 3.41Å; I936-L939 PolarHBondContact O-N 3.17Å; L939-A943 VanDerWaalsContact O-CB 3.31Å; L939-A943 WeakPolarHBondContact O-CB 3.37Å; L939-A943 PolarHBondContact O-N 3.3Å; L939-N958 HydrophobicContact CD2-CB 4.5Å; L939-K961 HydrophobicContact CD1-CB 3.93Å; L939-K961 HydrophobicContact CD2-CD 4.19Å; L939-A962 HydrophobicContact CB-CB 4.08Å; L939-M965 HydrophobicContact CD1-CE 3.93Å; L939-M965 HydrophobicContact CD1-SD 3.75Å
940R89.5Confident88.8Confident34 Ų3427.8 Ų27.813%0.12814%0.141CC..Hα-helixtrans-61.7-48.4173.8-76.2171.7176.9152.45.3111.3I936 C938 A943 R944 A962 T966 D980I936-R940 HydrophobicContact CG2-CG 4.32Å; I936-R940 VanDerWaalsContact CG2-CZ 3.48Å; I936-R940 WeakPolarHBondContact O-CB 3.34Å; I936-R940 VanDerWaalsContact O-CG 3.29Å; I936-R940 WeakPolarHBondContact O-CG 3.49Å; I936-R940 PolarHBondContact O-N 3.44Å; C938-R940 VanDerWaalsContact C-N 3.34Å; C938-R940 PolarHBondContact O-N 2.99Å; R940-A943 PolarHBondContact O-N 2.86Å; R940-R944 WeakPolarHBondContact O-CG 3.28Å; R940-R944 PolarHBondContact O-N 3.42Å; R940-A962 HydrophobicContact CG-CB 4.09Å; R940-T966 PolarHBondContact NH2-OG1 2.86Å; R940-T966 VanDerWaalsContact NH2-OG1 3.15Å; R940-D980 IonicContact CZ-OD1 2.78Å; R940-D980 IonicContact CZ-OD2 3.7Å; R940-D980 IonicContact NE-OD1 3.21Å; R940-D980 PolarHBondContact NE-OD1 3.46Å; R940-D980 IonicContact NE-OD2 3.85Å; R940-D980 PolarHBondContact NE-OD2 3.02Å; R940-D980 IonicContact NH2-OD1 2.96Å; R940-D980 IonicContact NH2-OD2 3.1Å; R940-D980 PolarHBondContact NH2-OD2 3.37Å
941L87.8Confident89.1Confident6 Ų628 Ų283%0.03114%0.138CC..Hα-helixtrans-69.4-41.5-178.3-167.855.4000111.1Y898 V902 L905 L917 K937 C938 A943 R944 V945 V1169Y898-L941 HydrophobicContact CE2-CD2 4.3Å; V902-L941 HydrophobicContact CG2-CD2 3.85Å; L905-L941 HydrophobicContact CD1-CD1 4.45Å; L905-L941 HydrophobicContact CD1-CD2 3.86Å; L905-L941 HydrophobicContact CD1-CG 3.96Å; L917-L941 HydrophobicContact CD1-CB 4.06Å; L917-L941 HydrophobicContact CD1-CD2 4.25Å; L917-L941 HydrophobicContact CD1-CG 3.93Å; L917-L941 HydrophobicContact CD2-CB 4.45Å; L917-L941 HydrophobicContact CD2-CD2 4.15Å; K937-L941 PolarHBondContact O-N 2.87Å; K937-L941 VanDerWaalsContact O-N 3.1Å; C938-L941 PolarHBondContact O-N 2.88Å; C938-L941 VanDerWaalsContact O-N 3.1Å; L941-A943 VanDerWaalsContact C-N 3.3Å; L941-A943 PolarHBondContact O-N 2.85Å; L941-R944 PolarHBondContact O-N 3.01Å; L941-R944 VanDerWaalsContact O-N 3.16Å; L941-V945 WeakPolarHBondContact O-CG2 3.4Å; L941-V945 PolarHBondContact O-N 3.46Å; L941-V1169 HydrophobicContact CD1-CG1 4.32Å; L941-V1169 HydrophobicContact CD1-CG2 4.33Å
942T92.3Very high89.2Confident6 Ų630.7 Ų30.74%0.03715%0.148CC..Hα-helixtrans-53.8-46.2169.9-55.90000111.1L914 C938 R944 V945 S946 N958L914-T942 HydrophobicContact CD2-CG2 3.74Å; C938-T942 WeakPolarHBondContact O-CB 3.38Å; C938-T942 PolarHBondContact O-N 3.38Å; C938-T942 PolarHBondContact O-OG1 3.45Å; T942-R944 PolarHBondContact O-N 3.27Å; T942-V945 PolarHBondContact O-N 3.47Å; T942-S946 WeakPolarHBondContact O-CB 3.22Å; T942-S946 PolarHBondContact O-N 2.86Å; T942-S946 PolarHBondContact O-OG 3.49Å; T942-N958 WeakPolarHBondContact CG2-ND2 3.39Å
943A90.5Very high89.4Confident0 Ų033.8 Ų33.80%017%0.169CC..Hα-helixtrans-64.7-38.8179.100000113L939 R940 L941 Y947 A955 N958 Q959 F987L939-A943 VanDerWaalsContact O-CB 3.31Å; L939-A943 WeakPolarHBondContact O-CB 3.37Å; L939-A943 PolarHBondContact O-N 3.3Å; R940-A943 PolarHBondContact O-N 2.86Å; L941-A943 VanDerWaalsContact C-N 3.3Å; L941-A943 PolarHBondContact O-N 2.85Å; A943-Y947 WeakPolarHBondContact O-CB 3.32Å; A943-Y947 PolarHBondContact O-N 2.97Å; A943-A955 WeakPolarHBondContact CB-O 3.11Å; A943-A955 WeakPolarHBondContact O-CB 3.44Å; A943-N958 HydrophobicContact CB-CB 4.01Å; A943-Q959 HydrophobicContact CB-CB 3.98Å; A943-F987 HydrophobicContact CB-CE2 3.72Å; A943-F987 HydrophobicContact CB-CZ 4.33Å
944R85.1Confident89.6Confident56 Ų5633.2 Ų33.221%0.21117%0.167CC..Hα-helixtrans-63.6-43.9173.8-68.9176.3176.7-163.4-3.6112R940 L941 T942 Y947 V948 F987 M1166R940-R944 WeakPolarHBondContact O-CG 3.28Å; R940-R944 PolarHBondContact O-N 3.42Å; L941-R944 PolarHBondContact O-N 3.01Å; L941-R944 VanDerWaalsContact O-N 3.16Å; T942-R944 PolarHBondContact O-N 3.27Å; R944-Y947 WeakPolarHBondContact O-CB 3.08Å; R944-Y947 PolarHBondContact O-N 3.33Å; R944-V948 WeakPolarHBondContact O-CG2 3.38Å; R944-V948 PolarHBondContact O-N 3.02Å; R944-V948 VanDerWaalsContact O-N 3.11Å; R944-F987 HydrophobicContact CG-CZ 4.46Å; R944-M1166 HydrophobicContact CB-CE 4.43Å; R944-M1166 HydrophobicContact CG-CE 3.76Å
945V86.6Confident89.7Confident0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-71.1-42.1179.1-177.60000111.3L905 L910 L914 L941 T942 Y947 V948 M949 V1169L905-V945 HydrophobicContact CD1-CG2 3.76Å; L905-V945 HydrophobicContact CD2-CB 4.45Å; L905-V945 HydrophobicContact CD2-CG1 3.93Å; L905-V945 HydrophobicContact CD2-CG2 3.64Å; L905-V945 HydrophobicContact CG-CG2 4.33Å; L910-V945 HydrophobicContact CB-CG1 4.25Å; L910-V945 HydrophobicContact CD2-CG1 4.48Å; L914-V945 HydrophobicContact CD1-CG1 3.82Å; L914-V945 HydrophobicContact CD2-CB 4.01Å; L914-V945 HydrophobicContact CD2-CG1 4.1Å; L914-V945 HydrophobicContact CG-CB 4.26Å; L914-V945 HydrophobicContact CG-CG1 3.79Å; L941-V945 WeakPolarHBondContact O-CG2 3.4Å; L941-V945 PolarHBondContact O-N 3.46Å; T942-V945 PolarHBondContact O-N 3.47Å; V945-Y947 PolarHBondContact O-N 2.95Å; V945-V948 PolarHBondContact O-N 3.05Å; V945-M949 HydrophobicContact CG1-CG 4.49Å; V945-M949 WeakPolarHBondContact O-CG 3.24Å; V945-M949 PolarHBondContact O-N 3.03Å; V945-V1169 HydrophobicContact CG2-CG1 4.45Å
946S90.1Very high89.7Confident8 Ų831.8 Ų31.86%0.05616%0.161CC..Hα-helixtrans-54.7-40.5171.2-69.70000112.1T942 M949 N950 D951T942-S946 WeakPolarHBondContact O-CB 3.22Å; T942-S946 PolarHBondContact O-N 2.86Å; T942-S946 PolarHBondContact O-OG 3.49Å; S946-M949 CarbonylContact O-C 2.78Å; S946-M949 PolarHBondContact O-N 3.18Å; S946-N950 PolarHBondContact O-N 3.36Å; S946-D951 CarbonylContact O-C 3.57Å; S946-D951 WeakPolarHBondContact O-CA 3.38Å; S946-D951 PolarHBondContact O-N 2.93Å
947Y85.8Confident89.8Confident3 Ų336.4 Ų36.41%0.01219%0.185CC..Hα-helixtrans-64.3-44.6177.3-179.1-111.7000112.6A943 R944 V945 M949 N950 Y952 I986 F987 A990 T1161 M1166A943-Y947 WeakPolarHBondContact O-CB 3.32Å; A943-Y947 PolarHBondContact O-N 2.97Å; R944-Y947 WeakPolarHBondContact O-CB 3.08Å; R944-Y947 PolarHBondContact O-N 3.33Å; V945-Y947 PolarHBondContact O-N 2.95Å; Y947-M949 VanDerWaalsContact C-N 3.29Å; Y947-M949 PolarHBondContact O-N 3.45Å; Y947-N950 WeakPolarHBondContact O-CA 3.45Å; Y947-N950 PolarHBondContact O-N 3.36Å; Y947-Y952 AromaticContact CD2-CD1 3.6Å; Y947-Y952 HydrophobicContact CD2-CD1 3.6Å; Y947-Y952 AromaticContact CD2-CE1 3.78Å; Y947-Y952 HydrophobicContact CD2-CE1 3.78Å; Y947-Y952 AromaticContact CE2-CD1 3.69Å; Y947-Y952 HydrophobicContact CE2-CD1 3.69Å; Y947-Y952 AromaticContact CE2-CE1 3.61Å; Y947-Y952 HydrophobicContact CE2-CE1 3.61Å; Y947-I986 HydrophobicContact CE1-CG2 4.39Å; Y947-I986 HydrophobicContact CE2-CG2 4.44Å; Y947-I986 WeakPolarHBondContact OH-CG2 3.5Å; Y947-F987 VanDerWaalsContact CB-CE1 3.47Å; Y947-F987 HydrophobicContact CD1-CD1 4.25Å; Y947-F987 AromaticContact CD1-CE1 3.74Å; Y947-F987 HydrophobicContact CD1-CE1 3.74Å; Y947-F987 AromaticContact CD2-CD1 3.32Å; Y947-F987 HydrophobicContact CD2-CD1 3.32Å; Y947-F987 AromaticContact CD2-CE1 3.61Å; Y947-F987 HydrophobicContact CD2-CE1 3.61Å; Y947-F987 HydrophobicContact CD2-CG 4.39Å; Y947-F987 HydrophobicContact CE1-CE1 4.3Å; Y947-F987 AromaticContact CE2-CD1 3.75Å; Y947-F987 HydrophobicContact CE2-CD1 3.75Å; Y947-F987 HydrophobicContact CE2-CE1 4.23Å; Y947-F987 AromaticContact CG-CD1 3.61Å; Y947-F987 HydrophobicContact CG-CD1 3.61Å; Y947-F987 AromaticContact CG-CE1 3.34Å; Y947-F987 HydrophobicContact CG-CE1 3.34Å; Y947-F987 HydrophobicContact CG-CZ 4.4Å; Y947-A990 HydrophobicContact CE2-CB 3.66Å; Y947-T1161 HydrophobicContact CD1-CG2 4.25Å; Y947-T1161 HydrophobicContact CE1-CG2 3.72Å; Y947-T1161 VanDerWaalsContact CE1-OG1 3.23Å; Y947-T1161 WeakPolarHBondContact CE1-OG1 3.22Å; Y947-T1161 PolarHBondContact OH-OG1 2.82Å; Y947-T1161 VanDerWaalsContact OH-OG1 3.13Å; Y947-M1166 HydrophobicContact CD1-CB 4.22Å; Y947-M1166 HydrophobicContact CD1-CE 4.27Å; Y947-M1166 HydrophobicContact CD1-CG 4.49Å; Y947-M1166 HydrophobicContact CD1-SD 3.61Å; Y947-M1166 HydrophobicContact CE1-CB 4.35Å; Y947-M1166 HydrophobicContact CE1-CG 4.34Å; Y947-M1166 HydrophobicContact CE1-SD 3.44Å; Y947-M1166 WeakPolarHBondContact CE1-SD 3.33Å
948V82.4Confident90.1Very high25 Ų2533.8 Ų33.815%0.15218%0.175CC..Hα-helixtrans-62.4-36.4175.1170.80000111.6L910 R944 V945 N950 M1166 Y1167 F1170L910-V948 HydrophobicContact CD1-CG1 4.43Å; R944-V948 WeakPolarHBondContact O-CG2 3.38Å; R944-V948 PolarHBondContact O-N 3.02Å; R944-V948 VanDerWaalsContact O-N 3.11Å; V945-V948 PolarHBondContact O-N 3.05Å; V948-N950 PolarHBondContact O-N 3.12Å; V948-M1166 WeakPolarHBondContact CG2-O 3.48Å; V948-Y1167 HydrophobicContact CG1-CD1 4.3Å; V948-Y1167 HydrophobicContact CG1-CE1 4.33Å; V948-Y1167 HydrophobicContact CG2-CD1 4.29Å; V948-F1170 HydrophobicContact CB-CE2 4.12Å; V948-F1170 HydrophobicContact CB-CZ 4.21Å; V948-F1170 HydrophobicContact CG1-CE2 3.55Å; V948-F1170 HydrophobicContact CG1-CZ 3.88Å; V948-F1170 HydrophobicContact CG2-CE2 3.77Å; V948-F1170 HydrophobicContact CG2-CZ 4.09Å
949M85.8Confident90.1Very high82 Ų8233.9 Ų33.940%0.40418%0.175SC..THydrogen-bonded Turntrans-75.810.4173.9-61.4-168.7-38.400113.9L910 L914 V945 S946 Y947 D951L910-M949 HydrophobicContact CB-CG 4.49Å; L910-M949 HydrophobicContact CB-SD 4.11Å; L910-M949 HydrophobicContact CD1-CG 3.83Å; L910-M949 HydrophobicContact CD1-SD 4.47Å; L914-M949 HydrophobicContact CD1-CE 3.2Å; L914-M949 HydrophobicContact CD1-SD 3.63Å; V945-M949 HydrophobicContact CG1-CG 4.49Å; V945-M949 WeakPolarHBondContact O-CG 3.24Å; V945-M949 PolarHBondContact O-N 3.03Å; S946-M949 CarbonylContact O-C 2.78Å; S946-M949 PolarHBondContact O-N 3.18Å; Y947-M949 VanDerWaalsContact C-N 3.29Å; Y947-M949 PolarHBondContact O-N 3.45Å; M949-D951 PolarHBondContact O-N 3.39Å
950N86.1Confident90.1Very high105 Ų10536.8 Ų36.856%0.56119%0.188SC*.THydrogen-bonded Turntrans6211.7-175.7-59-62.9000115.7S946 Y947 V948 Y952S946-N950 PolarHBondContact O-N 3.36Å; Y947-N950 WeakPolarHBondContact O-CA 3.45Å; Y947-N950 PolarHBondContact O-N 3.36Å; V948-N950 PolarHBondContact O-N 3.12Å; N950-Y952 VanDerWaalsContact C-N 3.28Å; N950-Y952 HydrophobicContact CB-CE2 4.33Å; N950-Y952 WeakPolarHBondContact O-CD2 3.43Å; N950-Y952 PolarHBondContact O-N 3.17Å; N950-Y952 PolarHBondContact OD1-OH 3.12Å
951D90.6Very high90.3Very high60 Ų6037.8 Ų37.832%0.32119%0.194SC..  trans-81.776.5167.5178.619.5000110.7S946 M949 T953 G954 A955S946-D951 CarbonylContact O-C 3.57Å; S946-D951 WeakPolarHBondContact O-CA 3.38Å; S946-D951 PolarHBondContact O-N 2.93Å; M949-D951 PolarHBondContact O-N 3.39Å; D951-T953 PolarHBondContact O-N 3.06Å; D951-T953 WeakPolarHBondContact OD1-CA 3.41Å; D951-T953 PolarHBondContact OD1-N 2.95Å; D951-T953 PolarHBondContact OD1-OG1 2.82Å; D951-G954 VanDerWaalsContact CG-N 3.28Å; D951-G954 PolarHBondContact OD1-N 2.95Å; D951-G954 WeakPolarHBondContact OD2-CA 3.49Å; D951-G954 PolarHBondContact OD2-N 3.03Å; D951-A955 VanDerWaalsContact O-CB 3.23Å; D951-A955 WeakPolarHBondContact O-CB 3.45Å; D951-A955 PolarHBondContact O-N 2.78Å
952Y90.3Very high90.5Very high58 Ų5837.5 Ų37.523%0.22719%0.192CC..Hα-helixtrans-61.7-19.6174.5-53.4-57.5000113.2Y947 N950 L956 A990 N991 I1157Y947-Y952 AromaticContact CD2-CD1 3.6Å; Y947-Y952 HydrophobicContact CD2-CD1 3.6Å; Y947-Y952 AromaticContact CD2-CE1 3.78Å; Y947-Y952 HydrophobicContact CD2-CE1 3.78Å; Y947-Y952 AromaticContact CE2-CD1 3.69Å; Y947-Y952 HydrophobicContact CE2-CD1 3.69Å; Y947-Y952 AromaticContact CE2-CE1 3.61Å; Y947-Y952 HydrophobicContact CE2-CE1 3.61Å; N950-Y952 VanDerWaalsContact C-N 3.28Å; N950-Y952 HydrophobicContact CB-CE2 4.33Å; N950-Y952 WeakPolarHBondContact O-CD2 3.43Å; N950-Y952 PolarHBondContact O-N 3.17Å; N950-Y952 PolarHBondContact OD1-OH 3.12Å; Y952-L956 WeakPolarHBondContact O-CB 3.47Å; Y952-L956 PolarHBondContact O-N 3.5Å; Y952-A990 HydrophobicContact CD1-CB 3.5Å; Y952-A990 HydrophobicContact CE1-CB 3.7Å; Y952-A990 HydrophobicContact CG-CB 4.07Å; Y952-N991 PolarHBondContact O-ND2 3.04Å; Y952-I1157 HydrophobicContact CE1-CG2 4.45Å
953T94.4Very high90.5Very high89 Ų8937.7 Ų37.755%0.54619%0.193SC..Hα-helixtrans-82.5-49.1-178.768.90000111.7D951 L956 L957D951-T953 PolarHBondContact O-N 3.06Å; D951-T953 WeakPolarHBondContact OD1-CA 3.41Å; D951-T953 PolarHBondContact OD1-N 2.95Å; D951-T953 PolarHBondContact OD1-OG1 2.82Å; T953-L956 PolarHBondContact O-N 3.04Å; T953-L957 WeakPolarHBondContact O-CB 3.09Å; T953-L957 PolarHBondContact O-N 3.38Å
954G92.4Very high90.5Very high11 Ų1138.4 Ų38.411%0.11320%0.198CC..Hα-helixtrans-66.7-37.9172.700000112.4D951 L957 N958D951-G954 VanDerWaalsContact CG-N 3.28Å; D951-G954 PolarHBondContact OD1-N 2.95Å; D951-G954 WeakPolarHBondContact OD2-CA 3.49Å; D951-G954 PolarHBondContact OD2-N 3.03Å; G954-L957 PolarHBondContact O-N 2.91Å; G954-N958 WeakPolarHBondContact O-CB 3.25Å; G954-N958 PolarHBondContact O-N 3.44Å; G954-N958 PolarHBondContact O-ND2 3.13Å
955A91.9Very high90.8Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-56.6-53173.100000111.9A943 D951 L957 N958 Q959 F987A943-A955 WeakPolarHBondContact CB-O 3.11Å; A943-A955 WeakPolarHBondContact O-CB 3.44Å; D951-A955 VanDerWaalsContact O-CB 3.23Å; D951-A955 WeakPolarHBondContact O-CB 3.45Å; D951-A955 PolarHBondContact O-N 2.78Å; A955-L957 PolarHBondContact O-N 3.43Å; A955-N958 PolarHBondContact O-N 3.11Å; A955-Q959 VanDerWaalsContact O-CB 3.27Å; A955-Q959 WeakPolarHBondContact O-CB 3.35Å; A955-Q959 PolarHBondContact O-N 3.14Å; A955-F987 HydrophobicContact CB-CD1 4.34Å; A955-F987 HydrophobicContact CB-CD2 4.18Å; A955-F987 HydrophobicContact CB-CE2 4.47Å; A955-F987 HydrophobicContact CB-CG 4.12Å
956L94.4Very high91Very high26 Ų2636 Ų3614%0.13619%0.189CC..Hα-helixtrans-63.2-40.2178.2-177.762.9000112.1Y952 T953 H960 M984 F987 N991 K993Y952-L956 WeakPolarHBondContact O-CB 3.47Å; Y952-L956 PolarHBondContact O-N 3.5Å; T953-L956 PolarHBondContact O-N 3.04Å; L956-H960 VanDerWaalsContact O-CB 3.27Å; L956-H960 WeakPolarHBondContact O-CB 3.42Å; L956-H960 PolarHBondContact O-N 3.25Å; L956-M984 HydrophobicContact CD1-CG 3.78Å; L956-F987 HydrophobicContact CB-CB 4.29Å; L956-F987 HydrophobicContact CD1-CB 4.28Å; L956-N991 HydrophobicContact CD2-CB 4.33Å; L956-N991 WeakPolarHBondContact CD2-ND2 3.33Å; L956-K993 HydrophobicContact CD2-CD 4.02Å
957L94.7Very high90.9Very high98 Ų9838.2 Ų38.251%0.51320%0.198SC..Hα-helixtrans-65.2-46.4179.317962.2000112T953 G954 A955 H960 K961T953-L957 WeakPolarHBondContact O-CB 3.09Å; T953-L957 PolarHBondContact O-N 3.38Å; G954-L957 PolarHBondContact O-N 2.91Å; A955-L957 PolarHBondContact O-N 3.43Å; L957-H960 PolarHBondContact O-N 3.14Å; L957-K961 WeakPolarHBondContact O-CG 3.47Å; L957-K961 PolarHBondContact O-N 3.2Å; L957-K961 VanDerWaalsContact O-N 3.12Å
958N93.9Very high90.9Very high23 Ų2340.8 Ų40.812%0.12321%0.208CC..Hα-helixtrans-71.4-37.8-179.2-70.3-30.5000111.8L939 T942 A943 G954 A955 H960 K961 A962L939-N958 HydrophobicContact CD2-CB 4.5Å; T942-N958 WeakPolarHBondContact CG2-ND2 3.39Å; A943-N958 HydrophobicContact CB-CB 4.01Å; G954-N958 WeakPolarHBondContact O-CB 3.25Å; G954-N958 PolarHBondContact O-N 3.44Å; G954-N958 PolarHBondContact O-ND2 3.13Å; A955-N958 PolarHBondContact O-N 3.11Å; N958-H960 PolarHBondContact O-N 2.94Å; N958-K961 WeakPolarHBondContact O-CB 3.34Å; N958-K961 PolarHBondContact O-N 3.47Å; N958-K961 PolarHBondContact OD1-NZ 2.84Å; N958-A962 PolarHBondContact O-N 2.74Å
959Q93.4Very high91.2Very high1 Ų140.1 Ų40.11%0.00520%0.204CC..Hα-helixtrans-66.2-36.3172.8-169.460.222.800112.4A943 A955 A962 V963 D980 C983 M984 F987A943-Q959 HydrophobicContact CB-CB 3.98Å; A955-Q959 VanDerWaalsContact O-CB 3.27Å; A955-Q959 WeakPolarHBondContact O-CB 3.35Å; A955-Q959 PolarHBondContact O-N 3.14Å; Q959-A962 WeakPolarHBondContact O-CB 3.45Å; Q959-A962 PolarHBondContact O-N 3.28Å; Q959-V963 WeakPolarHBondContact O-CG2 3.3Å; Q959-V963 PolarHBondContact O-N 3.41Å; Q959-D980 VanDerWaalsContact NE2-CA 3.33Å; Q959-D980 PolarHBondContact NE2-O 3.43Å; Q959-D980 PolarHBondContact NE2-OD1 3.02Å; Q959-C983 HydrophobicContact CG-CB 4.33Å; Q959-M984 HydrophobicContact CG-CB 3.73Å; Q959-M984 HydrophobicContact CG-CG 4.18Å; Q959-F987 HydrophobicContact CB-CD2 3.55Å; Q959-F987 HydrophobicContact CB-CE2 3.7Å; Q959-F987 HydrophobicContact CG-CD2 3.8Å; Q959-F987 HydrophobicContact CG-CE2 3.83Å
960H94.5Very high91.1Very high81 Ų8139.3 Ų39.338%0.37520%0.197SC..Hα-helixtrans-63.3-40.8173.3-179.7-92.7000112L956 L957 N958 A962 V963 V964 M984L956-H960 VanDerWaalsContact O-CB 3.27Å; L956-H960 WeakPolarHBondContact O-CB 3.42Å; L956-H960 PolarHBondContact O-N 3.25Å; L957-H960 PolarHBondContact O-N 3.14Å; N958-H960 PolarHBondContact O-N 2.94Å; H960-A962 VanDerWaalsContact C-N 3.35Å; H960-V963 PolarHBondContact O-N 3.16Å; H960-V964 WeakPolarHBondContact O-CG2 3.46Å; H960-V964 PolarHBondContact O-N 3.19Å; H960-V964 VanDerWaalsContact O-N 3.15Å; H960-M984 HydrophobicContact CB-SD 3.99Å
961K93.3Very high91Very high56 Ų5634.8 Ų34.824%0.24318%0.176CC..Hα-helixtrans-59.6-46171.6-63.1168.7-168.5160.70110.7F11 L939 L957 N958 V964 M965F11-K961 HydrophobicContact CE2-CB 4.17Å; F11-K961 HydrophobicContact CE2-CD 4.43Å; F11-K961 HydrophobicContact CE2-CG 4.03Å; L939-K961 HydrophobicContact CD1-CB 3.93Å; L939-K961 HydrophobicContact CD2-CD 4.19Å; L957-K961 WeakPolarHBondContact O-CG 3.47Å; L957-K961 PolarHBondContact O-N 3.2Å; L957-K961 VanDerWaalsContact O-N 3.12Å; N958-K961 WeakPolarHBondContact O-CB 3.34Å; N958-K961 PolarHBondContact O-N 3.47Å; N958-K961 PolarHBondContact OD1-NZ 2.84Å; K961-V964 PolarHBondContact O-N 2.92Å; K961-M965 WeakPolarHBondContact O-CG 3.49Å; K961-M965 PolarHBondContact O-N 2.71Å
962A92.4Very high90.8Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-58.8-51.4177.600000111.9I936 L939 R940 N958 Q959 H960 V964 M965 T966I936-A962 HydrophobicContact CG2-CB 4.29Å; L939-A962 HydrophobicContact CB-CB 4.08Å; R940-A962 HydrophobicContact CG-CB 4.09Å; N958-A962 PolarHBondContact O-N 2.74Å; Q959-A962 WeakPolarHBondContact O-CB 3.45Å; Q959-A962 PolarHBondContact O-N 3.28Å; H960-A962 VanDerWaalsContact C-N 3.35Å; A962-V964 VanDerWaalsContact C-N 3.34Å; A962-V964 PolarHBondContact O-N 2.98Å; A962-M965 CarbonylContact O-C 3.53Å; A962-M965 PolarHBondContact O-N 2.91Å; A962-M965 VanDerWaalsContact O-N 3.08Å; A962-T966 WeakPolarHBondContact O-CB 3.46Å; A962-T966 PolarHBondContact O-N 3.47Å; A962-T966 PolarHBondContact O-OG1 3.07Å
963V92.5Very high90.5Very high9 Ų931.7 Ų31.76%0.05516%0.162CC..Hα-helixtrans-51.1-49.5176.2166.20000111.9Q959 H960 M965 T966 E967 L977 D980 Y981 M984Q959-V963 WeakPolarHBondContact O-CG2 3.3Å; Q959-V963 PolarHBondContact O-N 3.41Å; H960-V963 PolarHBondContact O-N 3.16Å; V963-M965 VanDerWaalsContact C-N 3.35Å; V963-M965 PolarHBondContact O-N 3.25Å; V963-T966 PolarHBondContact O-N 2.89Å; V963-E967 PolarHBondContact O-N 3.31Å; V963-L977 HydrophobicContact CG1-CD1 3.99Å; V963-D980 HydrophobicContact CG2-CB 3.72Å; V963-Y981 HydrophobicContact CG1-CD1 4.1Å; V963-Y981 HydrophobicContact CG1-CE1 3.65Å; V963-Y981 HydrophobicContact CG2-CD1 4.46Å; V963-M984 HydrophobicContact CB-CE 4.46Å; V963-M984 HydrophobicContact CB-SD 4.35Å; V963-M984 HydrophobicContact CG1-CE 4.19Å; V963-M984 HydrophobicContact CG2-CB 4.29Å; V963-M984 HydrophobicContact CG2-CE 3.98Å; V963-M984 HydrophobicContact CG2-SD 3.81Å
964V91Very high90.1Very high16 Ų1628 Ų2810%0.09714%0.14CC..Hα-helixtrans-63.9-39.9-179.8172.70000111.3H9 F11 E12 H960 K961 A962 R968H9-V964 HydrophobicContact CB-CG1 4.44Å; F11-V964 HydrophobicContact CB-CG1 4.03Å; E12-V964 HydrophobicContact CG-CG1 3.87Å; H960-V964 WeakPolarHBondContact O-CG2 3.46Å; H960-V964 PolarHBondContact O-N 3.19Å; H960-V964 VanDerWaalsContact O-N 3.15Å; K961-V964 PolarHBondContact O-N 2.92Å; A962-V964 VanDerWaalsContact C-N 3.34Å; A962-V964 PolarHBondContact O-N 2.98Å; V964-R968 WeakPolarHBondContact O-CG 3.42Å
965M90.5Very high89.6Confident4 Ų427.6 Ų27.62%0.0214%0.136CC..Hα-helixtrans-69.8-39175.7-68.1-172.1-175.800112.2F11 S930 V931 I935 I936 L939 K961 A962 V963 R968 C969F11-M965 HydrophobicContact CD1-CE 3.85Å; F11-M965 HydrophobicContact CD2-CE 3.62Å; F11-M965 HydrophobicContact CD2-CG 4.4Å; F11-M965 HydrophobicContact CE1-CE 3.7Å; F11-M965 HydrophobicContact CE2-CE 3.47Å; F11-M965 VanDerWaalsContact CE2-CE 3.47Å; F11-M965 HydrophobicContact CG-CE 3.84Å; F11-M965 HydrophobicContact CG-CG 4.5Å; F11-M965 HydrophobicContact CZ-CE 3.52Å; S930-M965 VanDerWaalsContact O-CE 3.26Å; S930-M965 WeakPolarHBondContact O-CE 3.31Å; V931-M965 HydrophobicContact CG1-CB 4.11Å; V931-M965 HydrophobicContact CG1-CG 3.97Å; V931-M965 HydrophobicContact CG1-SD 4.47Å; V931-M965 HydrophobicContact CG2-CE 4.48Å; V931-M965 HydrophobicContact CG2-CG 4.4Å; I935-M965 HydrophobicContact CG2-CE 4.29Å; I935-M965 HydrophobicContact CG2-SD 4.07Å; I936-M965 HydrophobicContact CD1-CB 3.71Å; I936-M965 HydrophobicContact CG1-CB 3.59Å; I936-M965 HydrophobicContact CG1-SD 4.27Å; L939-M965 HydrophobicContact CD1-CE 3.93Å; L939-M965 HydrophobicContact CD1-SD 3.75Å; K961-M965 WeakPolarHBondContact O-CG 3.49Å; K961-M965 PolarHBondContact O-N 2.71Å; A962-M965 CarbonylContact O-C 3.53Å; A962-M965 PolarHBondContact O-N 2.91Å; A962-M965 VanDerWaalsContact O-N 3.08Å; V963-M965 VanDerWaalsContact C-N 3.35Å; V963-M965 PolarHBondContact O-N 3.25Å; M965-R968 WeakPolarHBondContact O-CB 3.33Å; M965-R968 PolarHBondContact O-N 3.22Å; M965-R968 VanDerWaalsContact O-N 3.11Å; M965-C969 PolarHBondContact O-N 3.46Å; M965-C969 PolarHBondContact O-SG 3.2Å
966T90.4Very high89.3Confident0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-63.4-44178.7-60.20000112I936 R940 A962 V963 R968 C969 Y970 L977 D980I936-T966 VanDerWaalsContact CG2-OG1 3.31Å; I936-T966 WeakPolarHBondContact CG2-OG1 3.4Å; R940-T966 PolarHBondContact NH2-OG1 2.86Å; R940-T966 VanDerWaalsContact NH2-OG1 3.15Å; A962-T966 WeakPolarHBondContact O-CB 3.46Å; A962-T966 PolarHBondContact O-N 3.47Å; A962-T966 PolarHBondContact O-OG1 3.07Å; V963-T966 PolarHBondContact O-N 2.89Å; T966-R968 PolarHBondContact O-N 3.39Å; T966-R968 VanDerWaalsContact O-N 3.14Å; T966-C969 PolarHBondContact O-N 3.3Å; T966-Y970 HydrophobicContact CG2-CD2 3.88Å; T966-Y970 PolarHBondContact O-N 3.12Å; T966-L977 HydrophobicContact CG2-CB 3.9Å; T966-L977 HydrophobicContact CG2-CD1 4.19Å; T966-D980 VanDerWaalsContact CB-OD2 3.26Å; T966-D980 WeakPolarHBondContact CB-OD2 3.47Å; T966-D980 WeakPolarHBondContact CG2-OD2 3.31Å; T966-D980 PolarHBondContact OG1-OD2 3.49Å
967E88.8Confident89Confident55 Ų5528.5 Ų28.526%0.25714%0.138SC..Hα-helixtrans-53.3-36.3174.1-172.1-171137.800110.8R2 V963 G971 I972 L977R2-E967 IonicContact CZ-OE1 2.8Å; R2-E967 IonicContact NE-OE1 2.76Å; R2-E967 IonicContact NH2-OE1 3.26Å; R2-E967 PolarHBondContact NH2-OE1 3.32Å; V963-E967 PolarHBondContact O-N 3.31Å; E967-G971 CarbonylContact O-C 3.53Å; E967-G971 WeakPolarHBondContact O-CA 3.36Å; E967-G971 PolarHBondContact O-N 3.09Å; E967-G971 VanDerWaalsContact O-N 3.11Å; E967-I972 HydrophobicContact CG-CB 4.03Å; E967-I972 HydrophobicContact CG-CG2 3.53Å; E967-L977 HydrophobicContact CB-CD1 4.44Å; E967-L977 HydrophobicContact CB-CD2 4.28Å; E967-L977 HydrophobicContact CG-CD2 4.41Å
968R86.4Confident88.5Confident58 Ų5823.9 Ų23.922%0.21911%0.114CC..Hα-helixtrans-82.7-42.5-177.9-64.6-161.471.8-173.2-5114.2F11 E12 V14 L16 V20 V964 M965 T966F11-R968 WeakPolarHBondContact O-CD 3.41Å; F11-R968 PolarHBondContact O-NH1 3.05Å; E12-R968 VanDerWaalsContact C-NH1 3.26Å; E12-R968 PolarHBondContact O-NH1 2.89Å; V14-R968 PolarHBondContact O-NH1 3.38Å; V14-R968 PolarHBondContact O-NH2 2.67Å; L16-R968 HydrophobicContact CD1-CB 4.32Å; L16-R968 WeakPolarHBondContact CD1-O 3.44Å; V20-R968 WeakPolarHBondContact CB-O 3.25Å; V20-R968 WeakPolarHBondContact CG1-O 3.28Å; V20-R968 WeakPolarHBondContact CG2-O 3.4Å; V964-R968 WeakPolarHBondContact O-CG 3.42Å; M965-R968 WeakPolarHBondContact O-CB 3.33Å; M965-R968 PolarHBondContact O-N 3.22Å; M965-R968 VanDerWaalsContact O-N 3.11Å; T966-R968 PolarHBondContact O-N 3.39Å; T966-R968 VanDerWaalsContact O-N 3.14Å
969C86.8Confident87.9Confident10 Ų1024.3 Ų24.37%0.06812%0.118CC..Hα-helixtrans-75.1-33.6-177.4-70.10000112.8F18 V20 P933 I936 M965 T966F18-C969 HydrophobicContact CZ-CB 4.21Å; V20-C969 WeakPolarHBondContact CG2-O 3.38Å; P933-C969 HydrophobicContact CG-CB 4.29Å; I936-C969 HydrophobicContact CD1-CB 3.95Å; M965-C969 PolarHBondContact O-N 3.46Å; M965-C969 PolarHBondContact O-SG 3.2Å; T966-C969 PolarHBondContact O-N 3.3Å
970Y85.2Confident87.5Confident65 Ų6524.4 Ų24.426%0.25512%0.119SC..Hα-helixtrans-122.6-12.2-171.7-58.2-84.9000114.9I936 T966 S974 Y976I936-Y970 HydrophobicContact CD1-CE2 4.16Å; T966-Y970 HydrophobicContact CG2-CD2 3.88Å; T966-Y970 PolarHBondContact O-N 3.12Å; Y970-S974 WeakPolarHBondContact CB-OG 3.4Å; Y970-Y976 AromaticContact CD1-CD2 3.67Å; Y970-Y976 HydrophobicContact CD1-CD2 3.67Å; Y970-Y976 HydrophobicContact CD1-CE2 4.02Å; Y970-Y976 HydrophobicContact CD2-CD2 4.3Å; Y970-Y976 HydrophobicContact CD2-CG 4.5Å; Y970-Y976 AromaticContact CE1-CD2 3.65Å; Y970-Y976 HydrophobicContact CE1-CD2 3.65Å; Y970-Y976 AromaticContact CE1-CE2 3.65Å; Y970-Y976 HydrophobicContact CE1-CE2 3.65Å; Y970-Y976 HydrophobicContact CE1-CG 4.49Å; Y970-Y976 HydrophobicContact CE2-CD2 4.29Å; Y970-Y976 HydrophobicContact CE2-CG 4.4Å; Y970-Y976 AromaticContact CG-CD2 3.98Å; Y970-Y976 HydrophobicContact CG-CD2 3.98Å; Y970-Y976 AromaticContact CZ-CD2 3.95Å
971G83.8Confident87.2Confident11 Ų1121.4 Ų21.411%0.11310%0.104CC..  trans98.6170.5-176.900000114.2E967 D973E967-G971 CarbonylContact O-C 3.53Å; E967-G971 WeakPolarHBondContact O-CA 3.36Å; E967-G971 PolarHBondContact O-N 3.09Å; E967-G971 VanDerWaalsContact O-N 3.11Å; G971-D973 VanDerWaalsContact C-N 3.29Å; G971-D973 PolarHBondContact O-N 3.3Å
972I85.8Confident86.7Confident37 Ų3719.6 Ų19.619%0.1910%0.097CC..THydrogen-bonded Turntrans-84.9-2.6-166.991172.4000114.2F24 E967 L977F24-I972 HydrophobicContact CE2-CD1 3.93Å; F24-I972 HydrophobicContact CZ-CD1 3.55Å; F24-I972 HydrophobicContact CZ-CG1 3.74Å; E967-I972 HydrophobicContact CG-CB 4.03Å; E967-I972 HydrophobicContact CG-CG2 3.53Å; I972-L977 WeakPolarHBondContact O-CD2 3.46Å
973D84.6Confident86.3Confident15 Ų1520 Ų208%0.0810%0.1CC..THydrogen-bonded Turntrans-136.929.9-175.462.6-28.2000110.8W23 R847 G971 L1007W23-D973 PolarHBondContact NE1-OD2 3.13Å; R847-D973 WeakPolarHBondContact CD-OD2 3.44Å; R847-D973 IonicContact CZ-OD2 2.99Å; R847-D973 IonicContact NE-OD2 3.89Å; R847-D973 PolarHBondContact NE-OD2 3.32Å; R847-D973 PolarHBondContact NH2-O 3.49Å; G971-D973 VanDerWaalsContact C-N 3.29Å; G971-D973 PolarHBondContact O-N 3.3Å; D973-L1007 HydrophobicContact CB-CD2 4.29Å
974S85.2Confident86.1Confident12 Ų1220.2 Ų20.28%0.08410%0.101CC..  trans-83142.4173.1-178.90000111.7Y970 Y976 L977 I978Y970-S974 WeakPolarHBondContact CB-OG 3.4Å; S974-Y976 PolarHBondContact O-N 3.43Å; S974-Y976 PolarHBondContact OG-N 3.39Å; S974-L977 WeakPolarHBondContact O-CB 3.42Å; S974-L977 PolarHBondContact O-N 2.97Å; S974-I978 PolarHBondContact O-N 3.06Å; S974-I978 VanDerWaalsContact O-N 3.16Å
975A83Confident86Confident2 Ų219.5 Ų19.52%0.01710%0.096CC..Hα-helixtrans-45.1-45.1168.600000112.9L667 F670 L977 I978 S979L667-A975 HydrophobicContact CD2-CB 3.86Å; F670-A975 HydrophobicContact CB-CB 3.41Å; F670-A975 VanDerWaalsContact CB-CB 3.41Å; F670-A975 HydrophobicContact CD1-CB 4.33Å; F670-A975 HydrophobicContact CD2-CB 3.68Å; F670-A975 HydrophobicContact CG-CB 3.55Å; A975-L977 VanDerWaalsContact C-N 3.29Å; A975-L977 PolarHBondContact O-N 2.87Å; A975-I978 PolarHBondContact O-N 2.65Å; A975-S979 PolarHBondContact O-N 2.64Å; A975-S979 VanDerWaalsContact O-N 3.08Å
976Y84Confident85.6Confident45 Ų4519.3 Ų19.318%0.17610%0.095CC..Hα-helixtrans-58.2-38.1177.1-72.1-66.7000113L667 Y970 S974 D980L667-Y976 HydrophobicContact CD1-CD1 3.7Å; L667-Y976 HydrophobicContact CD1-CE1 3.58Å; L667-Y976 HydrophobicContact CD2-CD1 4Å; L667-Y976 HydrophobicContact CD2-CE1 4.39Å; L667-Y976 HydrophobicContact CD2-CG 4.4Å; Y970-Y976 AromaticContact CD1-CD2 3.67Å; Y970-Y976 HydrophobicContact CD1-CD2 3.67Å; Y970-Y976 HydrophobicContact CD1-CE2 4.02Å; Y970-Y976 HydrophobicContact CD2-CD2 4.3Å; Y970-Y976 HydrophobicContact CD2-CG 4.5Å; Y970-Y976 AromaticContact CE1-CD2 3.65Å; Y970-Y976 HydrophobicContact CE1-CD2 3.65Å; Y970-Y976 AromaticContact CE1-CE2 3.65Å; Y970-Y976 HydrophobicContact CE1-CE2 3.65Å; Y970-Y976 HydrophobicContact CE1-CG 4.49Å; Y970-Y976 HydrophobicContact CE2-CD2 4.29Å; Y970-Y976 HydrophobicContact CE2-CG 4.4Å; Y970-Y976 AromaticContact CG-CD2 3.98Å; Y970-Y976 HydrophobicContact CG-CD2 3.98Å; Y970-Y976 AromaticContact CZ-CD2 3.95Å; S974-Y976 PolarHBondContact O-N 3.43Å; S974-Y976 PolarHBondContact OG-N 3.39Å; Y976-D980 WeakPolarHBondContact O-CB 3.3Å; Y976-D980 PolarHBondContact O-N 2.64Å
977L88.6Confident85.5Confident0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-75.6-34.3179.8-173.364.1000112V963 T966 E967 I972 S974 A975 D980 Y981V963-L977 HydrophobicContact CG1-CD1 3.99Å; T966-L977 HydrophobicContact CG2-CB 3.9Å; T966-L977 HydrophobicContact CG2-CD1 4.19Å; E967-L977 HydrophobicContact CB-CD1 4.44Å; E967-L977 HydrophobicContact CB-CD2 4.28Å; E967-L977 HydrophobicContact CG-CD2 4.41Å; I972-L977 WeakPolarHBondContact O-CD2 3.46Å; S974-L977 WeakPolarHBondContact O-CB 3.42Å; S974-L977 PolarHBondContact O-N 2.97Å; A975-L977 VanDerWaalsContact C-N 3.29Å; A975-L977 PolarHBondContact O-N 2.87Å; L977-D980 PolarHBondContact O-N 3.01Å; L977-Y981 HydrophobicContact CD1-CE1 4.39Å; L977-Y981 HydrophobicContact CD1-CE2 4.23Å; L977-Y981 HydrophobicContact CD2-CE2 3.92Å; L977-Y981 HydrophobicContact CG-CD2 4.09Å; L977-Y981 HydrophobicContact CG-CE2 3.67Å; L977-Y981 VanDerWaalsContact O-CD2 3.3Å; L977-Y981 WeakPolarHBondContact O-CD2 3.3Å; L977-Y981 PolarHBondContact O-N 3.48Å
978I84.7Confident85.6Confident2 Ų216.7 Ų16.71%0.018%0.083CC..Hα-helixtrans-62.9-46.4175.5-62.2174.2000109.9F670 S974 A975 Y981 L982 S1004 L1007 V1008 L1011 I1022F670-I978 HydrophobicContact CD1-CD1 4.19Å; F670-I978 HydrophobicContact CE1-CB 4.17Å; F670-I978 HydrophobicContact CE1-CD1 4.33Å; F670-I978 HydrophobicContact CE1-CG2 3.7Å; F670-I978 HydrophobicContact CZ-CG2 4.22Å; S974-I978 PolarHBondContact O-N 3.06Å; S974-I978 VanDerWaalsContact O-N 3.16Å; A975-I978 PolarHBondContact O-N 2.65Å; I978-Y981 PolarHBondContact O-N 3.01Å; I978-L982 PolarHBondContact O-N 3.11Å; I978-L982 VanDerWaalsContact O-N 3.16Å; I978-S1004 WeakPolarHBondContact CG2-OG 3.31Å; I978-S1004 PolarHBondContact O-OG 3.44Å; I978-S1004 VanDerWaalsContact O-OG 3.06Å; I978-L1007 HydrophobicContact CD1-CB 3.71Å; I978-L1007 HydrophobicContact CG1-CB 3.78Å; I978-L1007 HydrophobicContact CG1-CD1 3.95Å; I978-V1008 HydrophobicContact CD1-CG2 4.03Å; I978-V1008 HydrophobicContact CG2-CG2 3.52Å; I978-L1011 HydrophobicContact CD1-CD1 3.73Å; I978-I1022 HydrophobicContact CG2-CD1 4.04Å
979S80.7Confident85.6Confident31 Ų3114.4 Ų14.422%0.2177%0.074CC..Hα-helixtrans-63-42.1172.8-173.70000112.2A975 Y981 L982 C983A975-S979 PolarHBondContact O-N 2.64Å; A975-S979 VanDerWaalsContact O-N 3.08Å; S979-Y981 PolarHBondContact O-N 2.93Å; S979-L982 VanDerWaalsContact O-CB 3.3Å; S979-L982 WeakPolarHBondContact O-CB 3.37Å; S979-L982 PolarHBondContact O-N 3.45Å; S979-L982 VanDerWaalsContact O-N 3.13Å; S979-C983 PolarHBondContact O-N 3.19Å
980D85.5Confident85.6Confident3 Ų314.6 Ų14.62%0.0168%0.077CC..Hα-helixtrans-64.6-36.6177.2-81.4-30.4000113.5R940 Q959 V963 T966 Y976 L977 L982 M984R940-D980 IonicContact CZ-OD1 2.78Å; R940-D980 IonicContact CZ-OD2 3.7Å; R940-D980 IonicContact NE-OD1 3.21Å; R940-D980 PolarHBondContact NE-OD1 3.46Å; R940-D980 IonicContact NE-OD2 3.85Å; R940-D980 PolarHBondContact NE-OD2 3.02Å; R940-D980 IonicContact NH2-OD1 2.96Å; R940-D980 IonicContact NH2-OD2 3.1Å; R940-D980 PolarHBondContact NH2-OD2 3.37Å; Q959-D980 VanDerWaalsContact NE2-CA 3.33Å; Q959-D980 PolarHBondContact NE2-O 3.43Å; Q959-D980 PolarHBondContact NE2-OD1 3.02Å; V963-D980 HydrophobicContact CG2-CB 3.72Å; T966-D980 VanDerWaalsContact CB-OD2 3.26Å; T966-D980 WeakPolarHBondContact CB-OD2 3.47Å; T966-D980 WeakPolarHBondContact CG2-OD2 3.31Å; T966-D980 PolarHBondContact OG1-OD2 3.49Å; Y976-D980 WeakPolarHBondContact O-CB 3.3Å; Y976-D980 PolarHBondContact O-N 2.64Å; L977-D980 PolarHBondContact O-N 3.01Å; D980-L982 VanDerWaalsContact C-N 3.33Å; D980-M984 WeakPolarHBondContact O-CB 3.43Å; D980-M984 PolarHBondContact O-N 3.29Å
981Y88.5Confident85.8Confident18 Ų1813.4 Ų13.47%0.0718%0.075CC..Hα-helixtrans-66.1-34.5172.9-74.3-41.7000112.1V963 L977 I978 S979 M984 A985 L1000 R1003 L1007V963-Y981 HydrophobicContact CG1-CD1 4.1Å; V963-Y981 HydrophobicContact CG1-CE1 3.65Å; V963-Y981 HydrophobicContact CG2-CD1 4.46Å; L977-Y981 HydrophobicContact CD1-CE1 4.39Å; L977-Y981 HydrophobicContact CD1-CE2 4.23Å; L977-Y981 HydrophobicContact CD2-CE2 3.92Å; L977-Y981 HydrophobicContact CG-CD2 4.09Å; L977-Y981 HydrophobicContact CG-CE2 3.67Å; L977-Y981 VanDerWaalsContact O-CD2 3.3Å; L977-Y981 WeakPolarHBondContact O-CD2 3.3Å; L977-Y981 PolarHBondContact O-N 3.48Å; I978-Y981 PolarHBondContact O-N 3.01Å; S979-Y981 PolarHBondContact O-N 2.93Å; Y981-M984 HydrophobicContact CD1-CE 4.16Å; Y981-M984 HydrophobicContact CE1-CE 4.49Å; Y981-M984 PolarHBondContact O-N 3.28Å; Y981-A985 WeakPolarHBondContact O-CB 3.41Å; Y981-A985 PolarHBondContact O-N 2.86Å; Y981-L1000 HydrophobicContact CD1-CD2 3.97Å; Y981-L1000 HydrophobicContact CE1-CD2 4.34Å; Y981-R1003 HydrophobicContact CE2-CG 4.15Å; Y981-L1007 HydrophobicContact CD2-CD1 4.26Å; Y981-L1007 HydrophobicContact CE2-CD1 4Å
982L82.1Confident85.9Confident18 Ų1815.7 Ų15.79%0.09410%0.098CC..Hα-helixtrans-62.9-54.5175.3-166.367.1000110.5I978 S979 D980 M984 A985 I986 L1001 I1022 N1030I978-L982 PolarHBondContact O-N 3.11Å; I978-L982 VanDerWaalsContact O-N 3.16Å; S979-L982 VanDerWaalsContact O-CB 3.3Å; S979-L982 WeakPolarHBondContact O-CB 3.37Å; S979-L982 PolarHBondContact O-N 3.45Å; S979-L982 VanDerWaalsContact O-N 3.13Å; D980-L982 VanDerWaalsContact C-N 3.33Å; L982-M984 VanDerWaalsContact C-N 3.33Å; L982-M984 PolarHBondContact O-N 3.04Å; L982-A985 WeakPolarHBondContact O-CB 3.3Å; L982-A985 PolarHBondContact O-N 3.26Å; L982-A985 VanDerWaalsContact O-N 3.15Å; L982-I986 HydrophobicContact CG-CD1 4.43Å; L982-I986 WeakPolarHBondContact O-CD1 3.31Å; L982-I986 WeakPolarHBondContact O-CG1 3.42Å; L982-I986 PolarHBondContact O-N 3.27Å; L982-L1001 HydrophobicContact CD1-CD2 3.58Å; L982-I1022 HydrophobicContact CD1-CG1 4.24Å; L982-N1030 HydrophobicContact CD1-CB 4.15Å; L982-N1030 WeakPolarHBondContact CD1-ND2 3.35Å
983C83.4Confident86.1Confident9 Ų918.5 Ų18.56%0.06111%0.109CC..Hα-helixtrans-58.1-42.6175.4-66.50000112.2Q959 S979 A985 I986 F987Q959-C983 HydrophobicContact CG-CB 4.33Å; S979-C983 PolarHBondContact O-N 3.19Å; C983-A985 VanDerWaalsContact C-N 3.31Å; C983-A985 PolarHBondContact O-N 3.23Å; C983-I986 PolarHBondContact O-N 3.46Å; C983-F987 HydrophobicContact CB-CE2 4.33Å; C983-F987 WeakPolarHBondContact O-CD2 3.16Å; C983-F987 VanDerWaalsContact O-CG 3.27Å; C983-F987 WeakPolarHBondContact O-CG 3.28Å; C983-F987 PolarHBondContact O-N 3.33Å
984M89.5Confident86.2Confident14 Ų1420.2 Ų20.27%0.06912%0.118CC..Hα-helixtrans-66.2-32.5178.5-163.5167.565.600112.8L956 Q959 H960 V963 D980 Y981 L982 S988 L1000L956-M984 HydrophobicContact CD1-CG 3.78Å; Q959-M984 HydrophobicContact CG-CB 3.73Å; Q959-M984 HydrophobicContact CG-CG 4.18Å; H960-M984 HydrophobicContact CB-SD 3.99Å; V963-M984 HydrophobicContact CB-CE 4.46Å; V963-M984 HydrophobicContact CB-SD 4.35Å; V963-M984 HydrophobicContact CG1-CE 4.19Å; V963-M984 HydrophobicContact CG2-CB 4.29Å; V963-M984 HydrophobicContact CG2-CE 3.98Å; V963-M984 HydrophobicContact CG2-SD 3.81Å; D980-M984 WeakPolarHBondContact O-CB 3.43Å; D980-M984 PolarHBondContact O-N 3.29Å; Y981-M984 HydrophobicContact CD1-CE 4.16Å; Y981-M984 HydrophobicContact CE1-CE 4.49Å; Y981-M984 PolarHBondContact O-N 3.28Å; L982-M984 VanDerWaalsContact C-N 3.33Å; L982-M984 PolarHBondContact O-N 3.04Å; M984-S988 WeakPolarHBondContact O-CB 3.19Å; M984-S988 PolarHBondContact O-N 3.28Å; M984-L1000 HydrophobicContact CB-CD1 4.21Å; M984-L1000 HydrophobicContact CE-CD1 3.63Å; M984-L1000 HydrophobicContact CE-CD2 3.42Å; M984-L1000 VanDerWaalsContact CE-CD2 3.42Å; M984-L1000 HydrophobicContact CE-CG 4.17Å; M984-L1000 HydrophobicContact CG-CD1 3.98Å
985A87.6Confident86.4Confident0 Ų023.9 Ų23.90%014%0.142CC..Hα-helixtrans-66.4-42.8174.600000112.1Y981 L982 C983 S988 F989 A997 L1000 L1001Y981-A985 WeakPolarHBondContact O-CB 3.41Å; Y981-A985 PolarHBondContact O-N 2.86Å; L982-A985 WeakPolarHBondContact O-CB 3.3Å; L982-A985 PolarHBondContact O-N 3.26Å; L982-A985 VanDerWaalsContact O-N 3.15Å; C983-A985 VanDerWaalsContact C-N 3.31Å; C983-A985 PolarHBondContact O-N 3.23Å; A985-S988 WeakPolarHBondContact O-CB 3.29Å; A985-S988 PolarHBondContact O-N 2.94Å; A985-F989 PolarHBondContact O-N 3.2Å; A985-A997 HydrophobicContact CB-CB 4.41Å; A985-A997 VanDerWaalsContact O-CB 3.23Å; A985-A997 WeakPolarHBondContact O-CB 3.47Å; A985-L1000 HydrophobicContact CB-CB 3.96Å; A985-L1001 HydrophobicContact CB-CD1 4.34Å; A985-L1001 HydrophobicContact CB-CD2 3.58Å; A985-L1001 HydrophobicContact CB-CG 3.59Å
986I82.7Confident86.7Confident0 Ų027.2 Ų27.20%016%0.162CC..Hα-helixtrans-62.2-48177.3-63.9149.8000110.4Y947 L982 C983 S988 F989 A990 L1160 N1164 M1166Y947-I986 HydrophobicContact CE1-CG2 4.39Å; Y947-I986 HydrophobicContact CE2-CG2 4.44Å; Y947-I986 WeakPolarHBondContact OH-CG2 3.5Å; L982-I986 HydrophobicContact CG-CD1 4.43Å; L982-I986 WeakPolarHBondContact O-CD1 3.31Å; L982-I986 WeakPolarHBondContact O-CG1 3.42Å; L982-I986 PolarHBondContact O-N 3.27Å; C983-I986 PolarHBondContact O-N 3.46Å; I986-S988 VanDerWaalsContact C-N 3.31Å; I986-S988 PolarHBondContact O-N 2.78Å; I986-F989 PolarHBondContact O-N 2.86Å; I986-F989 VanDerWaalsContact O-N 3.16Å; I986-A990 PolarHBondContact O-N 3.28Å; I986-L1160 HydrophobicContact CG2-CB 4.26Å; I986-N1164 HydrophobicContact CD1-CB 3.78Å; I986-N1164 WeakPolarHBondContact CD1-ND2 3.4Å; I986-N1164 WeakPolarHBondContact CD1-OD1 3.24Å; I986-M1166 HydrophobicContact CG2-SD 4.22Å
987F88.1Confident87Confident0 Ų025 Ų250%015%0.153CC..Hα-helixtrans-64-35.3175.5-56.8-22.8000112.5A943 R944 Y947 A955 L956 Q959 C983 N991 M1166A943-F987 HydrophobicContact CB-CE2 3.72Å; A943-F987 HydrophobicContact CB-CZ 4.33Å; R944-F987 HydrophobicContact CG-CZ 4.46Å; Y947-F987 VanDerWaalsContact CB-CE1 3.47Å; Y947-F987 HydrophobicContact CD1-CD1 4.25Å; Y947-F987 AromaticContact CD1-CE1 3.74Å; Y947-F987 HydrophobicContact CD1-CE1 3.74Å; Y947-F987 AromaticContact CD2-CD1 3.32Å; Y947-F987 HydrophobicContact CD2-CD1 3.32Å; Y947-F987 AromaticContact CD2-CE1 3.61Å; Y947-F987 HydrophobicContact CD2-CE1 3.61Å; Y947-F987 HydrophobicContact CD2-CG 4.39Å; Y947-F987 HydrophobicContact CE1-CE1 4.3Å; Y947-F987 AromaticContact CE2-CD1 3.75Å; Y947-F987 HydrophobicContact CE2-CD1 3.75Å; Y947-F987 HydrophobicContact CE2-CE1 4.23Å; Y947-F987 AromaticContact CG-CD1 3.61Å; Y947-F987 HydrophobicContact CG-CD1 3.61Å; Y947-F987 AromaticContact CG-CE1 3.34Å; Y947-F987 HydrophobicContact CG-CE1 3.34Å; Y947-F987 HydrophobicContact CG-CZ 4.4Å; A955-F987 HydrophobicContact CB-CD1 4.34Å; A955-F987 HydrophobicContact CB-CD2 4.18Å; A955-F987 HydrophobicContact CB-CE2 4.47Å; A955-F987 HydrophobicContact CB-CG 4.12Å; L956-F987 HydrophobicContact CB-CB 4.29Å; L956-F987 HydrophobicContact CD1-CB 4.28Å; Q959-F987 HydrophobicContact CB-CD2 3.55Å; Q959-F987 HydrophobicContact CB-CE2 3.7Å; Q959-F987 HydrophobicContact CG-CD2 3.8Å; Q959-F987 HydrophobicContact CG-CE2 3.83Å; C983-F987 HydrophobicContact CB-CE2 4.33Å; C983-F987 WeakPolarHBondContact O-CD2 3.16Å; C983-F987 VanDerWaalsContact O-CG 3.27Å; C983-F987 WeakPolarHBondContact O-CG 3.28Å; C983-F987 PolarHBondContact O-N 3.33Å; F987-N991 VanDerWaalsContact O-CB 3.22Å; F987-N991 WeakPolarHBondContact O-CB 3.3Å; F987-N991 PolarHBondContact O-N 2.84Å; F987-M1166 HydrophobicContact CE1-CE 3.37Å; F987-M1166 HydrophobicContact CE1-SD 3.87Å; F987-M1166 HydrophobicContact CZ-CE 3.47Å; F987-M1166 VanDerWaalsContact CZ-CE 3.47Å
988S90.4Very high86.9Confident0 Ų026.2 Ų26.20%016%0.159CC..Hα-helixtrans-66.6-37.4173.9-172.90000111.9M984 A985 I986 N991 K993 T996 A997M984-S988 WeakPolarHBondContact O-CB 3.19Å; M984-S988 PolarHBondContact O-N 3.28Å; A985-S988 WeakPolarHBondContact O-CB 3.29Å; A985-S988 PolarHBondContact O-N 2.94Å; I986-S988 VanDerWaalsContact C-N 3.31Å; I986-S988 PolarHBondContact O-N 2.78Å; S988-N991 CarbonylContact O-C 3.51Å; S988-K993 CarbonylContact O-C 3.47Å; S988-K993 WeakPolarHBondContact O-CA 3.39Å; S988-K993 WeakPolarHBondContact O-CB 3.11Å; S988-K993 PolarHBondContact O-N 2.88Å; S988-K993 WeakPolarHBondContact OG-CB 3.39Å; S988-K993 PolarHBondContact OG-O 3.41Å; S988-T996 WeakPolarHBondContact OG-CB 3.4Å; S988-A997 PolarHBondContact OG-N 3.43Å
989F87.1Confident87.3Confident10 Ų1033.3 Ų33.34%0.04419%0.19CC..Hα-helixtrans-68-48177.1-178.8-93.3000111.3A985 I986 N991 G992 I994 A997 M1034 A1037 V1156 I1157 L1160A985-F989 PolarHBondContact O-N 3.2Å; I986-F989 PolarHBondContact O-N 2.86Å; I986-F989 VanDerWaalsContact O-N 3.16Å; F989-N991 VanDerWaalsContact C-N 3.26Å; F989-N991 PolarHBondContact O-N 3.1Å; F989-G992 WeakPolarHBondContact O-CA 3.29Å; F989-G992 PolarHBondContact O-N 3.4Å; F989-I994 HydrophobicContact CD2-CB 4.46Å; F989-I994 HydrophobicContact CD2-CG1 4.01Å; F989-I994 HydrophobicContact CD2-CG2 4.09Å; F989-I994 HydrophobicContact CE2-CD1 4.15Å; F989-I994 HydrophobicContact CE2-CG1 4.04Å; F989-I994 HydrophobicContact CE2-CG2 4.16Å; F989-A997 HydrophobicContact CB-CB 3.98Å; F989-M1034 HydrophobicContact CB-CE 3.61Å; F989-M1034 HydrophobicContact CB-SD 3.94Å; F989-M1034 HydrophobicContact CD2-CB 4.17Å; F989-M1034 HydrophobicContact CD2-CE 4.28Å; F989-M1034 HydrophobicContact CD2-CG 3.52Å; F989-M1034 HydrophobicContact CD2-SD 3.72Å; F989-M1034 HydrophobicContact CE2-CB 4.1Å; F989-M1034 HydrophobicContact CE2-CG 3.78Å; F989-M1034 HydrophobicContact CG-CE 3.94Å; F989-M1034 HydrophobicContact CG-CG 4.02Å; F989-M1034 HydrophobicContact CG-SD 4Å; F989-M1034 HydrophobicContact CZ-CG 4.46Å; F989-A1037 HydrophobicContact CE2-CB 4.41Å; F989-A1037 HydrophobicContact CZ-CB 3.96Å; F989-V1156 HydrophobicContact CE1-CB 4.11Å; F989-V1156 HydrophobicContact CE1-CG1 3.5Å; F989-V1156 VanDerWaalsContact CE1-CG1 3.5Å; F989-V1156 HydrophobicContact CZ-CB 4.38Å; F989-V1156 HydrophobicContact CZ-CG1 3.69Å; F989-I1157 HydrophobicContact CD1-CG1 4.18Å; F989-I1157 HydrophobicContact CE1-CG1 4.19Å; F989-L1160 HydrophobicContact CD1-CD1 3.71Å; F989-L1160 HydrophobicContact CE1-CD1 4.08Å; F989-L1160 HydrophobicContact CG-CD1 4.38Å
990A86.1Confident87.7Confident14 Ų1433 Ų3312%0.11619%0.186CC..Hα-helixtrans-63.1-32177.300000113Y947 Y952 I986 G992 I1157Y947-A990 HydrophobicContact CE2-CB 3.66Å; Y952-A990 HydrophobicContact CD1-CB 3.5Å; Y952-A990 HydrophobicContact CE1-CB 3.7Å; Y952-A990 HydrophobicContact CG-CB 4.07Å; I986-A990 PolarHBondContact O-N 3.28Å; A990-G992 PolarHBondContact O-N 2.95Å; A990-I1157 HydrophobicContact CB-CD1 3.91Å; A990-I1157 HydrophobicContact CB-CG1 3.97Å; A990-I1157 HydrophobicContact CB-CG2 4.36Å
991N89.4Confident87.8Confident40 Ų4032.9 Ų32.921%0.21419%0.185CC..THydrogen-bonded Turntrans-8223.5171.4-159.8-4.3000113.1Y952 L956 F987 S988 F989 K993Y952-N991 PolarHBondContact O-ND2 3.04Å; L956-N991 HydrophobicContact CD2-CB 4.33Å; L956-N991 WeakPolarHBondContact CD2-ND2 3.33Å; F987-N991 VanDerWaalsContact O-CB 3.22Å; F987-N991 WeakPolarHBondContact O-CB 3.3Å; F987-N991 PolarHBondContact O-N 2.84Å; S988-N991 CarbonylContact O-C 3.51Å; F989-N991 VanDerWaalsContact C-N 3.26Å; F989-N991 PolarHBondContact O-N 3.1Å; N991-K993 PolarHBondContact ND2-NZ 2.78Å; N991-K993 PolarHBondContact O-N 3.23Å
992G86.9Confident87.8Confident59 Ų5936.8 Ų36.861%0.60820%0.2SC*.THydrogen-bonded Turntrans67.90.7175.700000116.8F989 A990 I994F989-G992 WeakPolarHBondContact O-CA 3.29Å; F989-G992 PolarHBondContact O-N 3.4Å; A990-G992 PolarHBondContact O-N 2.95Å; G992-I994 VanDerWaalsContact C-N 3.31Å; G992-I994 PolarHBondContact O-N 3.37Å; G992-I994 VanDerWaalsContact O-N 3.09Å
993K89.5Confident88.2Confident96 Ų9640.4 Ų40.442%0.41721%0.213SC..  trans-91.160.1-173.6-67.2161.8-170.7165.50111L956 S988 N991 T996 A997L956-K993 HydrophobicContact CD2-CD 4.02Å; S988-K993 CarbonylContact O-C 3.47Å; S988-K993 WeakPolarHBondContact O-CA 3.39Å; S988-K993 WeakPolarHBondContact O-CB 3.11Å; S988-K993 PolarHBondContact O-N 2.88Å; S988-K993 WeakPolarHBondContact OG-CB 3.39Å; S988-K993 PolarHBondContact OG-O 3.41Å; N991-K993 PolarHBondContact ND2-NZ 2.78Å; N991-K993 PolarHBondContact O-N 3.23Å; K993-T996 WeakPolarHBondContact O-CB 3.43Å; K993-T996 PolarHBondContact O-N 3Å; K993-T996 VanDerWaalsContact O-N 3.15Å; K993-A997 PolarHBondContact O-N 2.94Å
994I86.9Confident88.3Confident52 Ų5240 Ų4027%0.26721%0.21SC..Hα-helixtrans-57.8-45.7-174-47.7177.8000113.5F989 G992 T996 A997 L998 V1038F989-I994 HydrophobicContact CD2-CB 4.46Å; F989-I994 HydrophobicContact CD2-CG1 4.01Å; F989-I994 HydrophobicContact CD2-CG2 4.09Å; F989-I994 HydrophobicContact CE2-CD1 4.15Å; F989-I994 HydrophobicContact CE2-CG1 4.04Å; F989-I994 HydrophobicContact CE2-CG2 4.16Å; G992-I994 VanDerWaalsContact C-N 3.31Å; G992-I994 PolarHBondContact O-N 3.37Å; G992-I994 VanDerWaalsContact O-N 3.09Å; I994-T996 PolarHBondContact O-N 3.39Å; I994-A997 WeakPolarHBondContact O-CB 3.37Å; I994-A997 PolarHBondContact O-N 3.42Å; I994-A997 VanDerWaalsContact O-N 3.14Å; I994-L998 HydrophobicContact CG2-CD1 4.25Å; I994-L998 HydrophobicContact CG2-CG 4.44Å; I994-L998 PolarHBondContact O-N 3.2Å; I994-V1038 HydrophobicContact CD1-CG2 4.19Å; I994-V1038 HydrophobicContact CG2-CG2 3.61Å
995P90Very high88.2Confident89 Ų8941.2 Ų41.258%0.57821%0.214SC*.Hα-helixtrans-64.6-26.7179.5-22.635000113.3K999P995-K999 WeakPolarHBondContact O-CD 3.41Å; P995-K999 VanDerWaalsContact O-CG 3.23Å; P995-K999 WeakPolarHBondContact O-CG 3.48Å; P995-K999 PolarHBondContact O-N 2.94Å
996T89.8Confident88.3Confident71 Ų7147.4 Ų47.444%0.43624%0.238SC..Hα-helixtrans-76.1-43.5174.2-58.40000110.5S988 K993 I994 L998 K999 L1000S988-T996 WeakPolarHBondContact OG-CB 3.4Å; K993-T996 WeakPolarHBondContact O-CB 3.43Å; K993-T996 PolarHBondContact O-N 3Å; K993-T996 VanDerWaalsContact O-N 3.15Å; I994-T996 PolarHBondContact O-N 3.39Å; T996-L998 PolarHBondContact O-N 3.29Å; T996-K999 PolarHBondContact O-N 3.41Å; T996-L1000 HydrophobicContact CG2-CD1 4.15Å; T996-L1000 VanDerWaalsContact O-CG 3.3Å; T996-L1000 WeakPolarHBondContact O-CG 3.42Å; T996-L1000 PolarHBondContact O-N 2.67Å
997A88.7Confident88.5Confident0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-55.7-51175.300000111.7A985 S988 F989 K993 I994 K999 L1000 L1001 M1034A985-A997 HydrophobicContact CB-CB 4.41Å; A985-A997 VanDerWaalsContact O-CB 3.23Å; A985-A997 WeakPolarHBondContact O-CB 3.47Å; S988-A997 PolarHBondContact OG-N 3.43Å; F989-A997 HydrophobicContact CB-CB 3.98Å; K993-A997 PolarHBondContact O-N 2.94Å; I994-A997 WeakPolarHBondContact O-CB 3.37Å; I994-A997 PolarHBondContact O-N 3.42Å; I994-A997 VanDerWaalsContact O-N 3.14Å; A997-K999 PolarHBondContact O-N 3.4Å; A997-L1000 WeakPolarHBondContact O-CB 3.28Å; A997-L1000 PolarHBondContact O-N 3.16Å; A997-L1000 VanDerWaalsContact O-N 3.15Å; A997-L1001 WeakPolarHBondContact O-CG 3.4Å; A997-L1001 PolarHBondContact O-N 2.99Å; A997-M1034 HydrophobicContact CB-CE 4.46Å; A997-M1034 HydrophobicContact CB-SD 3.81Å
998L88Confident88.3Confident24 Ų2448 Ų4813%0.12624%0.241CC..Hα-helixtrans-60.1-42.8177.7-69173.5000112.4I994 T996 L1000 L1001 Y1002 M1034 L1035I994-L998 HydrophobicContact CG2-CD1 4.25Å; I994-L998 HydrophobicContact CG2-CG 4.44Å; I994-L998 PolarHBondContact O-N 3.2Å; T996-L998 PolarHBondContact O-N 3.29Å; L998-L1000 VanDerWaalsContact C-N 3.3Å; L998-L1000 PolarHBondContact O-N 3.14Å; L998-L1001 PolarHBondContact O-N 3.14Å; L998-Y1002 HydrophobicContact CB-CD2 4.42Å; L998-Y1002 HydrophobicContact CB-CE2 4.19Å; L998-Y1002 WeakPolarHBondContact O-CD2 3.19Å; L998-Y1002 PolarHBondContact O-N 3.12Å; L998-M1034 HydrophobicContact CD2-CB 3.99Å; L998-L1035 HydrophobicContact CD1-CD2 4.06Å; L998-L1035 HydrophobicContact CD2-CD2 4.12Å; L998-L1035 HydrophobicContact CD2-CG 4.21Å
999K91.2Very high88.1Confident151 Ų15150.7 Ų50.766%0.65726%0.256SS*.Hα-helixtrans-60.3-37.5175.8-77.1170.4-176.3175.50112.9P995 T996 A997 R1003P995-K999 WeakPolarHBondContact O-CD 3.41Å; P995-K999 VanDerWaalsContact O-CG 3.23Å; P995-K999 WeakPolarHBondContact O-CG 3.48Å; P995-K999 PolarHBondContact O-N 2.94Å; T996-K999 PolarHBondContact O-N 3.41Å; A997-K999 PolarHBondContact O-N 3.4Å; K999-R1003 PolarHBondContact O-N 3.26Å; K999-R1003 VanDerWaalsContact O-N 3.15Å
1000L89.8Confident88Confident25 Ų2552.8 Ų52.813%0.13127%0.266CS..Hα-helixtrans-69.8-42.5177.1-67.2169.8000111.4Y981 M984 A985 T996 A997 L998 R1003 S1004Y981-L1000 HydrophobicContact CD1-CD2 3.97Å; Y981-L1000 HydrophobicContact CE1-CD2 4.34Å; M984-L1000 HydrophobicContact CB-CD1 4.21Å; M984-L1000 HydrophobicContact CE-CD1 3.63Å; M984-L1000 HydrophobicContact CE-CD2 3.42Å; M984-L1000 VanDerWaalsContact CE-CD2 3.42Å; M984-L1000 HydrophobicContact CE-CG 4.17Å; M984-L1000 HydrophobicContact CG-CD1 3.98Å; A985-L1000 HydrophobicContact CB-CB 3.96Å; T996-L1000 HydrophobicContact CG2-CD1 4.15Å; T996-L1000 VanDerWaalsContact O-CG 3.3Å; T996-L1000 WeakPolarHBondContact O-CG 3.42Å; T996-L1000 PolarHBondContact O-N 2.67Å; A997-L1000 WeakPolarHBondContact O-CB 3.28Å; A997-L1000 PolarHBondContact O-N 3.16Å; A997-L1000 VanDerWaalsContact O-N 3.15Å; L998-L1000 VanDerWaalsContact C-N 3.3Å; L998-L1000 PolarHBondContact O-N 3.14Å; L1000-R1003 PolarHBondContact O-N 2.83Å; L1000-S1004 PolarHBondContact O-N 3.43Å
1001L87.1Confident87.8Confident0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-64.1-46.1175.3-65.3174.5000112.2L982 A985 A997 L998 R1003 S1004 R1005 N1030 I1031 M1034L982-L1001 HydrophobicContact CD1-CD2 3.58Å; A985-L1001 HydrophobicContact CB-CD1 4.34Å; A985-L1001 HydrophobicContact CB-CD2 3.58Å; A985-L1001 HydrophobicContact CB-CG 3.59Å; A997-L1001 WeakPolarHBondContact O-CG 3.4Å; A997-L1001 PolarHBondContact O-N 2.99Å; L998-L1001 PolarHBondContact O-N 3.14Å; L1001-R1003 PolarHBondContact O-N 2.67Å; L1001-S1004 WeakPolarHBondContact O-CB 3.48Å; L1001-S1004 PolarHBondContact O-N 3.48Å; L1001-S1004 VanDerWaalsContact O-N 3.11Å; L1001-R1005 WeakPolarHBondContact O-CB 3.38Å; L1001-R1005 PolarHBondContact O-N 2.94Å; L1001-N1030 HydrophobicContact CD1-CB 3.99Å; L1001-N1030 HydrophobicContact CD2-CB 3.85Å; L1001-I1031 HydrophobicContact CB-CD1 3.99Å; L1001-I1031 HydrophobicContact CB-CG1 3.55Å; L1001-I1031 HydrophobicContact CD1-CG1 3.78Å; L1001-I1031 HydrophobicContact CG-CG1 4.21Å; L1001-M1034 HydrophobicContact CD1-CE 4.02Å; L1001-M1034 HydrophobicContact CD1-SD 3.6Å; L1001-M1034 VanDerWaalsContact CD1-SD 3.6Å
1002Y89.9Confident87.4Confident100 Ų10050.4 Ų50.439%0.39225%0.251SS..Hα-helixtrans-58.8-35.6174.8-74-54.4000112.4L998 Y1006 I1031 F1047L998-Y1002 HydrophobicContact CB-CD2 4.42Å; L998-Y1002 HydrophobicContact CB-CE2 4.19Å; L998-Y1002 WeakPolarHBondContact O-CD2 3.19Å; L998-Y1002 PolarHBondContact O-N 3.12Å; Y1002-Y1006 WeakPolarHBondContact O-CB 3.33Å; Y1002-Y1006 PolarHBondContact O-N 3.16Å; Y1002-I1031 HydrophobicContact CD1-CD1 4.37Å; Y1002-I1031 HydrophobicContact CE1-CD1 4.48Å; Y1002-F1047 AromaticContact CE1-CZ 3.95Å; Y1002-F1047 HydrophobicContact CE1-CZ 3.95Å
1003R89.2Confident87Confident95 Ų9548.4 Ų48.436%0.35823%0.23SC..Hα-helixtrans-71.1-41.1174.2-179.2156.4179.969.18.3112.5Y981 K999 L1000 L1001 Y1006 L1007Y981-R1003 HydrophobicContact CE2-CG 4.15Å; K999-R1003 PolarHBondContact O-N 3.26Å; K999-R1003 VanDerWaalsContact O-N 3.15Å; L1000-R1003 PolarHBondContact O-N 2.83Å; L1001-R1003 PolarHBondContact O-N 2.67Å; R1003-Y1006 PolarHBondContact O-N 2.91Å; R1003-L1007 WeakPolarHBondContact O-CG 3.46Å; R1003-L1007 PolarHBondContact O-N 2.85Å
1004S86.4Confident86.5Confident0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-60.2-47.6174.1-167.50000110.8I978 L1000 L1001 Y1006 L1007 V1008 I1022I978-S1004 WeakPolarHBondContact CG2-OG 3.31Å; I978-S1004 PolarHBondContact O-OG 3.44Å; I978-S1004 VanDerWaalsContact O-OG 3.06Å; L1000-S1004 PolarHBondContact O-N 3.43Å; L1001-S1004 WeakPolarHBondContact O-CB 3.48Å; L1001-S1004 PolarHBondContact O-N 3.48Å; L1001-S1004 VanDerWaalsContact O-N 3.11Å; S1004-Y1006 PolarHBondContact O-N 3.3Å; S1004-L1007 PolarHBondContact O-N 3.46Å; S1004-L1007 VanDerWaalsContact O-N 3.12Å; S1004-V1008 PolarHBondContact O-N 2.84Å; S1004-V1008 VanDerWaalsContact O-N 3.12Å; S1004-I1022 WeakPolarHBondContact OG-CD1 3.18Å
1005R88Confident86Confident40 Ų4048.9 Ų48.915%0.15123%0.234CC..Hα-helixtrans-55.3-48.1175.6-166.9-166.7-169.7-88.2-14.3112.3L1001 L1007 V1008 L1009 M1019 I1022 D1023 I1031L1001-R1005 WeakPolarHBondContact O-CB 3.38Å; L1001-R1005 PolarHBondContact O-N 2.94Å; R1005-L1007 VanDerWaalsContact C-N 3.29Å; R1005-L1007 PolarHBondContact O-N 2.99Å; R1005-V1008 PolarHBondContact O-N 3.15Å; R1005-L1009 WeakPolarHBondContact O-CB 3.37Å; R1005-L1009 PolarHBondContact O-N 3.48Å; R1005-M1019 HydrophobicContact CG-SD 3.69Å; R1005-I1022 HydrophobicContact CB-CG2 3.75Å; R1005-I1022 HydrophobicContact CG-CG2 4.32Å; R1005-D1023 WeakPolarHBondContact CD-OD1 3.46Å; R1005-D1023 WeakPolarHBondContact CG-OD1 3.39Å; R1005-D1023 IonicContact CZ-OD1 3.95Å; R1005-D1023 IonicContact CZ-OD2 2.81Å; R1005-D1023 VanDerWaalsContact NE-CG 3.29Å; R1005-D1023 IonicContact NE-OD1 3.36Å; R1005-D1023 PolarHBondContact NE-OD1 2.93Å; R1005-D1023 IonicContact NE-OD2 2.78Å; R1005-D1023 PolarHBondContact NE-OD2 2.95Å; R1005-D1023 IonicContact NH2-OD1 3.85Å; R1005-D1023 IonicContact NH2-OD2 2.67Å; R1005-D1023 PolarHBondContact NH2-OD2 2.9Å; R1005-I1031 HydrophobicContact CB-CD1 4.45Å
1006Y88.7Confident85.3Confident129 Ų12944.7 Ų44.751%0.50621%0.207SC..Hα-helixtrans-58-41.6178176.4-91.5000112Y1002 R1003 S1004 L1009 M1010Y1002-Y1006 WeakPolarHBondContact O-CB 3.33Å; Y1002-Y1006 PolarHBondContact O-N 3.16Å; R1003-Y1006 PolarHBondContact O-N 2.91Å; S1004-Y1006 PolarHBondContact O-N 3.3Å; Y1006-L1009 PolarHBondContact O-N 3.03Å; Y1006-M1010 HydrophobicContact CD1-CG 4.36Å; Y1006-M1010 HydrophobicContact CE1-CG 3.91Å; Y1006-M1010 HydrophobicContact CE2-CG 4.35Å; Y1006-M1010 VanDerWaalsContact O-CG 3.31Å; Y1006-M1010 WeakPolarHBondContact O-CG 3.42Å; Y1006-M1010 PolarHBondContact O-N 3.38Å; Y1006-M1010 VanDerWaalsContact O-N 3.13Å
1007L86.8Confident84.4Confident13 Ų1342.1 Ų42.17%0.06819%0.191CC..Hα-helixtrans-67-44.3178.9-67.3172.7000112D973 I978 Y981 R1003 S1004 R1005 L1009 M1010 L1011D973-L1007 HydrophobicContact CB-CD2 4.29Å; I978-L1007 HydrophobicContact CD1-CB 3.71Å; I978-L1007 HydrophobicContact CG1-CB 3.78Å; I978-L1007 HydrophobicContact CG1-CD1 3.95Å; Y981-L1007 HydrophobicContact CD2-CD1 4.26Å; Y981-L1007 HydrophobicContact CE2-CD1 4Å; R1003-L1007 WeakPolarHBondContact O-CG 3.46Å; R1003-L1007 PolarHBondContact O-N 2.85Å; S1004-L1007 PolarHBondContact O-N 3.46Å; S1004-L1007 VanDerWaalsContact O-N 3.12Å; R1005-L1007 VanDerWaalsContact C-N 3.29Å; R1005-L1007 PolarHBondContact O-N 2.99Å; L1007-L1009 VanDerWaalsContact C-N 3.33Å; L1007-L1009 PolarHBondContact O-N 2.88Å; L1007-M1010 PolarHBondContact O-N 2.85Å; L1007-L1011 WeakPolarHBondContact O-CG 3.01Å; L1007-L1011 PolarHBondContact O-N 2.95Å; L1007-L1011 VanDerWaalsContact O-N 3.13Å
1008V84.2Confident83.4Confident0 Ų042.2 Ų42.20%019%0.192CC..Hα-helixtrans-64.8-36.7175179.60000111.8F670 I978 S1004 R1005 M1010 L1011 N1012 G1013 H1016 E1018 M1019 I1022F670-V1008 HydrophobicContact CD1-CG2 4.39Å; F670-V1008 HydrophobicContact CE1-CG2 3.9Å; I978-V1008 HydrophobicContact CD1-CG2 4.03Å; I978-V1008 HydrophobicContact CG2-CG2 3.52Å; S1004-V1008 PolarHBondContact O-N 2.84Å; S1004-V1008 VanDerWaalsContact O-N 3.12Å; R1005-V1008 PolarHBondContact O-N 3.15Å; V1008-M1010 VanDerWaalsContact C-N 3.31Å; V1008-M1010 PolarHBondContact O-N 2.58Å; V1008-L1011 PolarHBondContact O-N 3.35Å; V1008-N1012 HydrophobicContact CG1-CB 4.13Å; V1008-N1012 WeakPolarHBondContact O-CB 3.11Å; V1008-N1012 PolarHBondContact O-N 3.13Å; V1008-G1013 PolarHBondContact O-N 2.68Å; V1008-H1016 HydrophobicContact CG1-CB 4.47Å; V1008-E1018 HydrophobicContact CG1-CB 4.39Å; V1008-M1019 HydrophobicContact CB-CE 4.15Å; V1008-M1019 HydrophobicContact CG1-CB 4.37Å; V1008-M1019 HydrophobicContact CG1-CE 3.97Å; V1008-I1022 HydrophobicContact CB-CD1 4.05Å; V1008-I1022 HydrophobicContact CG2-CD1 3.35Å
1009L86.9Confident82.8Confident57 Ų5741.3 Ų41.330%0.29819%0.187SC..Hα-helixtrans-60.7-42.2176.8-175.462.8000111.5R1005 Y1006 L1007 G1013 E1014 M1019R1005-L1009 WeakPolarHBondContact O-CB 3.37Å; R1005-L1009 PolarHBondContact O-N 3.48Å; Y1006-L1009 PolarHBondContact O-N 3.03Å; L1007-L1009 VanDerWaalsContact C-N 3.33Å; L1007-L1009 PolarHBondContact O-N 2.88Å; L1009-G1013 WeakPolarHBondContact O-CA 3.38Å; L1009-G1013 PolarHBondContact O-N 2.81Å; L1009-G1013 VanDerWaalsContact O-N 3.1Å; L1009-E1014 HydrophobicContact CD1-CG 3.46Å; L1009-E1014 VanDerWaalsContact CD1-CG 3.46Å; L1009-M1019 VanDerWaalsContact CA-CE 3.47Å; L1009-M1019 HydrophobicContact CB-CE 3.69Å; L1009-M1019 HydrophobicContact CD1-CE 3.97Å; L1009-M1019 HydrophobicContact CG-CE 4.45Å
1010M83.6Confident81.5Confident54 Ų5434.1 Ų34.127%0.26616%0.156SC..Hα-helixtrans-70.4-33178.9-69.5-61.7-60.700113.6F843 Y1006 L1007 V1008F843-M1010 HydrophobicContact CB-CE 4.38Å; F843-M1010 HydrophobicContact CD1-CB 4.24Å; F843-M1010 HydrophobicContact CD1-CE 3.68Å; F843-M1010 WeakPolarHBondContact CD1-O 3.28Å; F843-M1010 HydrophobicContact CD2-CE 3.68Å; F843-M1010 HydrophobicContact CE1-CB 4.12Å; F843-M1010 HydrophobicContact CE1-CE 3.73Å; F843-M1010 HydrophobicContact CE2-CE 3.72Å; F843-M1010 HydrophobicContact CG-CE 3.65Å; F843-M1010 HydrophobicContact CZ-CE 3.74Å; Y1006-M1010 HydrophobicContact CD1-CG 4.36Å; Y1006-M1010 HydrophobicContact CE1-CG 3.91Å; Y1006-M1010 HydrophobicContact CE2-CG 4.35Å; Y1006-M1010 VanDerWaalsContact O-CG 3.31Å; Y1006-M1010 WeakPolarHBondContact O-CG 3.42Å; Y1006-M1010 PolarHBondContact O-N 3.38Å; Y1006-M1010 VanDerWaalsContact O-N 3.13Å; L1007-M1010 PolarHBondContact O-N 2.85Å; V1008-M1010 VanDerWaalsContact C-N 3.31Å; V1008-M1010 PolarHBondContact O-N 2.58Å
1011L83.7Confident80.3Confident4 Ų434.7 Ų34.72%0.02116%0.159CC..Hα-helixtrans-88.7-42.3-176.9-66.5176.4000113.1P841 A844 I978 L1007 V1008P841-L1011 WeakPolarHBondContact CG-O 3.46Å; A844-L1011 WeakPolarHBondContact CB-O 3.3Å; I978-L1011 HydrophobicContact CD1-CD1 3.73Å; L1007-L1011 WeakPolarHBondContact O-CG 3.01Å; L1007-L1011 PolarHBondContact O-N 2.95Å; L1007-L1011 VanDerWaalsContact O-N 3.13Å; V1008-L1011 PolarHBondContact O-N 3.35Å
1012N79Confident79.4Confident0 Ų034.9 Ų34.90%016%0.16CC..Hα-helixtrans-115.9-27.7-167.5-55.966.1000112.3F670 K707 H708 V1008 H1016F670-N1012 PolarHBondContact O-ND2 3.42Å; F670-N1012 PolarHBondContact O-OD1 3.09Å; K707-N1012 PolarHBondContact NZ-O 3.28Å; H708-N1012 PolarHBondContact CE1-ND2 3.33Å; H708-N1012 PolarHBondContact NE2-ND2 2.83Å; V1008-N1012 HydrophobicContact CG1-CB 4.13Å; V1008-N1012 WeakPolarHBondContact O-CB 3.11Å; V1008-N1012 PolarHBondContact O-N 3.13Å; N1012-H1016 HydrophobicContact CB-CB 3.7Å; N1012-H1016 PolarHBondContact ND2-CD2 2.8Å; N1012-H1016 VanDerWaalsContact ND2-CD2 3.34Å; N1012-H1016 PolarHBondContact ND2-CE1 3.01Å; N1012-H1016 PolarHBondContact ND2-ND1 2.98Å; N1012-H1016 PolarHBondContact ND2-NE2 2.83Å; N1012-H1016 VanDerWaalsContact ND2-NE2 3.13Å
1013G80.1Confident78.2Confident16 Ų1630.3 Ų30.317%0.16514%0.142CC..  trans81.8-177-165.800000112.5V1008 L1009 D1015V1008-G1013 PolarHBondContact O-N 2.68Å; L1009-G1013 WeakPolarHBondContact O-CA 3.38Å; L1009-G1013 PolarHBondContact O-N 2.81Å; L1009-G1013 VanDerWaalsContact O-N 3.1Å; G1013-D1015 VanDerWaalsContact C-N 3.33Å; G1013-D1015 PolarHBondContact O-N 2.86Å
1014E79.1Confident76.6Confident118 Ų11825.8 Ų25.855%0.55113%0.125SC*.SBendtrans-70.9-27.2-177.5-60.7-169.5138.700113.5L1009 H1016 M1019L1009-E1014 HydrophobicContact CD1-CG 3.46Å; L1009-E1014 VanDerWaalsContact CD1-CG 3.46Å; E1014-H1016 PolarHBondContact O-N 2.92Å; E1014-M1019 WeakPolarHBondContact O-CB 3.5Å
1015D74.9Confident74.3Confident41 Ų4125.9 Ų25.922%0.21913%0.126CC..SBendtrans-78.743.1-177.9-79.7-26.2000113.2K839 G1013 R1057 Y1058K839-D1015 WeakPolarHBondContact CD-OD2 3.45Å; K839-D1015 WeakPolarHBondContact CE-OD2 3.35Å; K839-D1015 IonicContact NZ-OD2 3.59Å; K839-D1015 PolarHBondContact NZ-OD2 3.18Å; G1013-D1015 VanDerWaalsContact C-N 3.33Å; G1013-D1015 PolarHBondContact O-N 2.86Å; D1015-R1057 IonicContact OD1-NH1 3.3Å; D1015-R1057 PolarHBondContact OD1-NH1 2.98Å; D1015-R1057 IonicContact OD2-CZ 3.46Å; D1015-R1057 IonicContact OD2-NH1 2.68Å; D1015-R1057 PolarHBondContact OD2-NH1 3.33Å; D1015-Y1058 PolarHBondContact O-OH 2.79Å
1016H75.1Confident72Confident0 Ų026 Ų260%013%0.127CC..  trans-118.2139.5177.9-148.4-113.3000112.5Y704 H708 V1008 N1012 E1014 E1018 M1019 A1020Y704-H1016 AromaticContact CD2-NE2 3.43Å; Y704-H1016 WeakPolarHBondContact CD2-NE2 3.45Å; H708-H1016 AromaticContact CD2-NE2 3.74Å; H708-H1016 AromaticContact NE2-CD2 2.99Å; H708-H1016 PolarHBondContact NE2-CD2 2.8Å; H708-H1016 AromaticContact NE2-CE1 2.86Å; H708-H1016 PolarHBondContact NE2-CE1 3.31Å; H708-H1016 AromaticContact NE2-CG 3.91Å; H708-H1016 AromaticContact NE2-ND1 3.82Å; H708-H1016 AromaticContact NE2-NE2 2.11Å; H708-H1016 PolarHBondContact NE2-NE2 2.91Å; V1008-H1016 HydrophobicContact CG1-CB 4.47Å; N1012-H1016 HydrophobicContact CB-CB 3.7Å; N1012-H1016 PolarHBondContact ND2-CD2 2.8Å; N1012-H1016 VanDerWaalsContact ND2-CD2 3.34Å; N1012-H1016 PolarHBondContact ND2-CE1 3.01Å; N1012-H1016 PolarHBondContact ND2-ND1 2.98Å; N1012-H1016 PolarHBondContact ND2-NE2 2.83Å; N1012-H1016 VanDerWaalsContact ND2-NE2 3.13Å; E1014-H1016 PolarHBondContact O-N 2.92Å; H1016-E1018 IonicContact CE1-OE1 3.45Å; H1016-E1018 PolarHBondContact CE1-OE1 3.15Å; H1016-E1018 IonicContact CE1-OE2 3.06Å; H1016-E1018 PolarHBondContact CE1-OE2 3.46Å; H1016-E1018 IonicContact ND1-OE1 3.01Å; H1016-E1018 PolarHBondContact ND1-OE1 3.35Å; H1016-E1018 IonicContact ND1-OE2 3.74Å; H1016-E1018 PolarHBondContact O-N 2.96Å; H1016-E1018 VanDerWaalsContact O-N 3.13Å; H1016-M1019 HydrophobicContact CB-CB 4.24Å; H1016-M1019 WeakPolarHBondContact O-CA 3.22Å; H1016-M1019 VanDerWaalsContact O-CB 3.27Å; H1016-M1019 WeakPolarHBondContact O-CB 3.46Å; H1016-M1019 PolarHBondContact O-N 2.71Å; H1016-A1020 PolarHBondContact O-N 3.49Å; H1016-A1020 VanDerWaalsContact O-N 3.11Å
1017P71.2Confident69.6Low17 Ų1721.3 Ų21.311%0.1111%0.112CC..Hα-helixtrans-61.5-19.1172.925.2-35.1000113.5Y704 A1020 L1021Y704-P1017 HydrophobicContact CD1-CG 3.94Å; Y704-P1017 HydrophobicContact CD2-CG 3.69Å; Y704-P1017 HydrophobicContact CE1-CG 3.93Å; Y704-P1017 HydrophobicContact CE2-CG 3.65Å; Y704-P1017 HydrophobicContact CG-CG 3.83Å; P1017-A1020 CarbonylContact O-C 3.54Å; P1017-A1020 WeakPolarHBondContact O-CA 3.33Å; P1017-A1020 WeakPolarHBondContact O-CB 3.49Å; P1017-A1020 PolarHBondContact O-N 3.09Å; P1017-L1021 PolarHBondContact O-N 2.61Å
1018E68.1Low67.7Low2 Ų221 Ų211%0.00911%0.111CC..Hα-helixtrans-83-24170.8-59.8152.6-1000113.1P668 F670 V1008 H1016 A1020 L1021 I1022P668-E1018 WeakPolarHBondContact CB-OE2 3.36Å; P668-E1018 HydrophobicContact CG-CG 4.17Å; P668-E1018 WeakPolarHBondContact CG-OE2 3.31Å; F670-E1018 VanDerWaalsContact CD1-CD 3.43Å; F670-E1018 WeakPolarHBondContact CD1-OE1 3.19Å; F670-E1018 VanDerWaalsContact CD2-OE2 3.25Å; F670-E1018 WeakPolarHBondContact CD2-OE2 3.33Å; F670-E1018 HydrophobicContact CE1-CB 4.06Å; F670-E1018 HydrophobicContact CE1-CG 3.99Å; F670-E1018 WeakPolarHBondContact CE1-OE1 3.46Å; F670-E1018 HydrophobicContact CE2-CG 4.25Å; F670-E1018 WeakPolarHBondContact CE2-OE2 3.21Å; F670-E1018 WeakPolarHBondContact CG-OE1 3.5Å; F670-E1018 WeakPolarHBondContact CG-OE2 3.36Å; F670-E1018 HydrophobicContact CZ-CB 4.26Å; F670-E1018 VanDerWaalsContact CZ-CD 3.47Å; F670-E1018 HydrophobicContact CZ-CG 3.86Å; F670-E1018 PolarHBondContact N-OE2 3.06Å; V1008-E1018 HydrophobicContact CG1-CB 4.39Å; H1016-E1018 IonicContact CE1-OE1 3.45Å; H1016-E1018 PolarHBondContact CE1-OE1 3.15Å; H1016-E1018 IonicContact CE1-OE2 3.06Å; H1016-E1018 PolarHBondContact CE1-OE2 3.46Å; H1016-E1018 IonicContact ND1-OE1 3.01Å; H1016-E1018 PolarHBondContact ND1-OE1 3.35Å; H1016-E1018 IonicContact ND1-OE2 3.74Å; H1016-E1018 PolarHBondContact O-N 2.96Å; H1016-E1018 VanDerWaalsContact O-N 3.13Å; E1018-A1020 CarbonylContact O-C 3.54Å; E1018-L1021 HydrophobicContact CB-CD1 3.93Å; E1018-L1021 HydrophobicContact CB-CG 4.41Å; E1018-L1021 HydrophobicContact CG-CD1 3.67Å; E1018-L1021 HydrophobicContact CG-CG 4.48Å; E1018-L1021 WeakPolarHBondContact O-CB 3.39Å; E1018-L1021 PolarHBondContact O-N 3.42Å; E1018-I1022 PolarHBondContact O-N 2.66Å
1019M74.8Confident66.2Low5 Ų521 Ų213%0.02511%0.111CC..Hα-helixtrans-66.5-34.7166-170.864.371.700109.5R1005 V1008 L1009 E1014 H1016 D1023R1005-M1019 HydrophobicContact CG-SD 3.69Å; V1008-M1019 HydrophobicContact CB-CE 4.15Å; V1008-M1019 HydrophobicContact CG1-CB 4.37Å; V1008-M1019 HydrophobicContact CG1-CE 3.97Å; L1009-M1019 VanDerWaalsContact CA-CE 3.47Å; L1009-M1019 HydrophobicContact CB-CE 3.69Å; L1009-M1019 HydrophobicContact CD1-CE 3.97Å; L1009-M1019 HydrophobicContact CG-CE 4.45Å; E1014-M1019 WeakPolarHBondContact O-CB 3.5Å; H1016-M1019 HydrophobicContact CB-CB 4.24Å; H1016-M1019 WeakPolarHBondContact O-CA 3.22Å; H1016-M1019 VanDerWaalsContact O-CB 3.27Å; H1016-M1019 WeakPolarHBondContact O-CB 3.46Å; H1016-M1019 PolarHBondContact O-N 2.71Å; M1019-D1023 VanDerWaalsContact O-CB 3.24Å; M1019-D1023 WeakPolarHBondContact O-CB 3.23Å; M1019-D1023 PolarHBondContact O-N 3.42Å
1020A64.3Low65.3Low0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-52.4-78.2154.600000109.7H1016 P1017 E1018 I1022 D1023 V1024 V1054H1016-A1020 PolarHBondContact O-N 3.49Å; H1016-A1020 VanDerWaalsContact O-N 3.11Å; P1017-A1020 CarbonylContact O-C 3.54Å; P1017-A1020 WeakPolarHBondContact O-CA 3.33Å; P1017-A1020 WeakPolarHBondContact O-CB 3.49Å; P1017-A1020 PolarHBondContact O-N 3.09Å; E1018-A1020 CarbonylContact O-C 3.54Å; A1020-I1022 CarbonylContact O-C 3.52Å; A1020-I1022 PolarHBondContact O-N 2.76Å; A1020-D1023 CarbonylContact O-C 3.58Å; A1020-D1023 PolarHBondContact O-N 2.75Å; A1020-V1024 CarbonylContact C-O 3.57Å; A1020-V1024 WeakPolarHBondContact CA-O 3.33Å; A1020-V1024 WeakPolarHBondContact CB-O 3.2Å; A1020-V1024 CarbonylContact O-C 3.58Å; A1020-V1024 WeakPolarHBondContact O-CA 3.4Å; A1020-V1024 PolarHBondContact O-N 3.2Å; A1020-V1054 HydrophobicContact CB-CB 4.17Å; A1020-V1054 HydrophobicContact CB-CG1 3.68Å
1021L65.2Low65.1Low37 Ų3715.7 Ų15.719%0.1948%0.084CC..Hα-helixtrans-29.4-47.2-176.6-63.3174.2000117.1P1017 E1018 N1025 F1026 N1030P1017-L1021 PolarHBondContact O-N 2.61Å; E1018-L1021 HydrophobicContact CB-CD1 3.93Å; E1018-L1021 HydrophobicContact CB-CG 4.41Å; E1018-L1021 HydrophobicContact CG-CD1 3.67Å; E1018-L1021 HydrophobicContact CG-CG 4.48Å; E1018-L1021 WeakPolarHBondContact O-CB 3.39Å; E1018-L1021 PolarHBondContact O-N 3.42Å; L1021-N1025 WeakPolarHBondContact CD2-O 3.41Å; L1021-F1026 HydrophobicContact CD2-CB 3.46Å; L1021-F1026 VanDerWaalsContact CD2-CB 3.46Å; L1021-F1026 VanDerWaalsContact CD2-N 3.33Å; L1021-N1030 PolarHBondContact O-ND2 3.32Å; L1021-N1030 VanDerWaalsContact O-ND2 3.11Å
1022I68.7Low64.8Low4 Ų415.5 Ų15.52%0.0218%0.083CC..Hα-helixtrans-77.8-53.7-179.5-60.2164.7000113.3I978 L982 S1004 R1005 V1008 E1018 A1020 I1031I978-I1022 HydrophobicContact CG2-CD1 4.04Å; L982-I1022 HydrophobicContact CD1-CG1 4.24Å; S1004-I1022 WeakPolarHBondContact OG-CD1 3.18Å; R1005-I1022 HydrophobicContact CB-CG2 3.75Å; R1005-I1022 HydrophobicContact CG-CG2 4.32Å; V1008-I1022 HydrophobicContact CB-CD1 4.05Å; V1008-I1022 HydrophobicContact CG2-CD1 3.35Å; E1018-I1022 PolarHBondContact O-N 2.66Å; A1020-I1022 CarbonylContact O-C 3.52Å; A1020-I1022 PolarHBondContact O-N 2.76Å; I1022-I1031 HydrophobicContact CG2-CD1 4.03Å; I1022-I1031 PolarHBondContact O-N 2.89Å
1023D65.1Low64.6Low4 Ų415.9 Ų15.92%0.0219%0.085CC..Hα-helixtrans-67.4-56.6176.1-70.5-5.3000108.5R1005 M1019 A1020 G1032 F1047R1005-D1023 WeakPolarHBondContact CD-OD1 3.46Å; R1005-D1023 WeakPolarHBondContact CG-OD1 3.39Å; R1005-D1023 IonicContact CZ-OD1 3.95Å; R1005-D1023 IonicContact CZ-OD2 2.81Å; R1005-D1023 VanDerWaalsContact NE-CG 3.29Å; R1005-D1023 IonicContact NE-OD1 3.36Å; R1005-D1023 PolarHBondContact NE-OD1 2.93Å; R1005-D1023 IonicContact NE-OD2 2.78Å; R1005-D1023 PolarHBondContact NE-OD2 2.95Å; R1005-D1023 IonicContact NH2-OD1 3.85Å; R1005-D1023 IonicContact NH2-OD2 2.67Å; R1005-D1023 PolarHBondContact NH2-OD2 2.9Å; M1019-D1023 VanDerWaalsContact O-CB 3.24Å; M1019-D1023 WeakPolarHBondContact O-CB 3.23Å; M1019-D1023 PolarHBondContact O-N 3.42Å; A1020-D1023 CarbonylContact O-C 3.58Å; A1020-D1023 PolarHBondContact O-N 2.75Å; D1023-G1032 PolarHBondContact O-N 3.34Å; D1023-F1047 HydrophobicContact CB-CB 4.42Å; D1023-F1047 HydrophobicContact CB-CD1 3.97Å
1024V55.5Low64.6Low0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-158129.4166.4-178.90000115.9A1020 S1029 F1047 L1048 A1051A1020-V1024 CarbonylContact C-O 3.57Å; A1020-V1024 WeakPolarHBondContact CA-O 3.33Å; A1020-V1024 WeakPolarHBondContact CB-O 3.2Å; A1020-V1024 CarbonylContact O-C 3.58Å; A1020-V1024 WeakPolarHBondContact O-CA 3.4Å; A1020-V1024 PolarHBondContact O-N 3.2Å; V1024-S1029 WeakPolarHBondContact CB-OG 3.14Å; V1024-S1029 WeakPolarHBondContact CG1-OG 3.46Å; V1024-S1029 WeakPolarHBondContact CG2-OG 3.48Å; V1024-F1047 WeakPolarHBondContact CG2-O 3.38Å; V1024-L1048 HydrophobicContact CG2-CD2 4.07Å; V1024-A1051 HydrophobicContact CB-CB 3.29Å; V1024-A1051 HydrophobicContact CG1-CB 4.11Å; V1024-A1051 HydrophobicContact CG2-CB 3.48Å; V1024-A1051 VanDerWaalsContact CG2-CB 3.48Å
1025N38Very low64.8Low2 Ų29.9 Ų9.91%0.0115%0.053CC..BIsolated β-bridgetrans103.798151.5-149.6-55.8000120.2L1021 V1027 T1028 N1055 K1065L1021-N1025 WeakPolarHBondContact CD2-O 3.41Å; N1025-V1027 PolarHBondContact ND2-O 2.95Å; N1025-V1027 WeakPolarHBondContact OD1-CA 3.14Å; N1025-V1027 PolarHBondContact OD1-N 3.49Å; N1025-T1028 PolarHBondContact N-O 3.31Å; N1025-T1028 VanDerWaalsContact N-O 3.13Å; N1025-N1055 WeakPolarHBondContact CB-ND2 3.29Å; N1025-K1065 PolarHBondContact ND2-O 3.49Å; N1025-K1065 VanDerWaalsContact OD1-CB 3.28Å; N1025-K1065 WeakPolarHBondContact OD1-CB 3.41Å; N1025-K1065 WeakPolarHBondContact OD1-CD 3.44Å; N1025-K1065 WeakPolarHBondContact OD1-CG 3.48Å
1026F38.3Very low65.2Low42 Ų428.8 Ų8.818%0.1845%0.046CC..SBend-105.9116.4106.4-171.7-84.6000104.3L1021 T1028 K1065 I1163L1021-F1026 HydrophobicContact CD2-CB 3.46Å; L1021-F1026 VanDerWaalsContact CD2-CB 3.46Å; L1021-F1026 VanDerWaalsContact CD2-N 3.33Å; F1026-T1028 PolarHBondContact O-N 3.3Å; F1026-T1028 VanDerWaalsContact O-N 3.11Å; F1026-K1065 VanDerWaalsContact CE2-NZ 3.34Å; F1026-I1163 WeakPolarHBondContact CD1-O 3.43Å; F1026-I1163 WeakPolarHBondContact O-CG2 3.34Å
1027V40Very low65.3Low31 Ų3110.2 Ų10.219%0.1886%0.057CC..SBendtrans69.5-65.5-168.1-1790000114.9N1025 L1068 I1163N1025-V1027 PolarHBondContact ND2-O 2.95Å; N1025-V1027 WeakPolarHBondContact OD1-CA 3.14Å; N1025-V1027 PolarHBondContact OD1-N 3.49Å; V1027-L1068 HydrophobicContact CB-CD1 4.11Å; V1027-L1068 HydrophobicContact CG1-CD1 3.57Å; V1027-L1068 HydrophobicContact CG2-CD1 4.47Å; V1027-L1068 VanDerWaalsContact O-CB 3.25Å; V1027-L1068 WeakPolarHBondContact O-CB 3.42Å; V1027-L1068 WeakPolarHBondContact O-CD1 3.14Å; V1027-I1163 HydrophobicContact CB-CB 4.32Å; V1027-I1163 HydrophobicContact CB-CG1 3.7Å; V1027-I1163 HydrophobicContact CG1-CG1 3.58Å
1028T45.5Very low65.9Low6 Ų612.8 Ų12.84%0.0377%0.073CC..SBendtrans-150.8-166173.4105.30000116N1025 F1026 L1068 L1072 V1159 I1163N1025-T1028 PolarHBondContact N-O 3.31Å; N1025-T1028 VanDerWaalsContact N-O 3.13Å; F1026-T1028 PolarHBondContact O-N 3.3Å; F1026-T1028 VanDerWaalsContact O-N 3.11Å; T1028-L1068 HydrophobicContact CG2-CB 4.24Å; T1028-L1068 HydrophobicContact CG2-CD2 4.04Å; T1028-L1072 VanDerWaalsContact CB-CD1 3.5Å; T1028-L1072 HydrophobicContact CG2-CD1 4.23Å; T1028-L1072 HydrophobicContact CG2-CG 4.38Å; T1028-L1072 WeakPolarHBondContact OG1-CD1 3.34Å; T1028-V1159 HydrophobicContact CG2-CG1 4.31Å; T1028-I1163 VanDerWaalsContact CB-CD1 3.45Å; T1028-I1163 HydrophobicContact CG2-CD1 3.63Å; T1028-I1163 HydrophobicContact CG2-CG1 4.15Å; T1028-I1163 VanDerWaalsContact N-CG1 3.35Å; T1028-I1163 WeakPolarHBondContact OG1-CD1 3.47Å
1029S52.7Low66.6Low0 Ų014 Ų140%09%0.085CC..  trans-89.8110.2-154.6-47.20000117.6V1024 L1033 L1048 L1072V1024-S1029 WeakPolarHBondContact CB-OG 3.14Å; V1024-S1029 WeakPolarHBondContact CG1-OG 3.46Å; V1024-S1029 WeakPolarHBondContact CG2-OG 3.48Å; S1029-L1033 VanDerWaalsContact CB-N 3.3Å; S1029-L1033 WeakPolarHBondContact O-CA 3.34Å; S1029-L1033 WeakPolarHBondContact O-CB 3.46Å; S1029-L1033 PolarHBondContact O-N 3.21Å; S1029-L1048 WeakPolarHBondContact OG-CD2 3.34Å; S1029-L1072 VanDerWaalsContact OG-CD1 3.26Å; S1029-L1072 WeakPolarHBondContact OG-CD1 3.49Å
1030N68.2Low67.1Low1 Ų118 Ų181%0.00510%0.104CC..Hα-helixtrans-66.3-56.1173.4-71.9-60000112.1L982 L1001 L1021 M1034 L1160 N1164L982-N1030 HydrophobicContact CD1-CB 4.15Å; L982-N1030 WeakPolarHBondContact CD1-ND2 3.35Å; L1001-N1030 HydrophobicContact CD1-CB 3.99Å; L1001-N1030 HydrophobicContact CD2-CB 3.85Å; L1021-N1030 PolarHBondContact O-ND2 3.32Å; L1021-N1030 VanDerWaalsContact O-ND2 3.11Å; N1030-M1034 WeakPolarHBondContact O-CB 3.4Å; N1030-M1034 WeakPolarHBondContact O-CG 3.41Å; N1030-M1034 PolarHBondContact O-N 3.15Å; N1030-L1160 WeakPolarHBondContact OD1-CD2 3.29Å; N1030-N1164 PolarHBondContact ND2-OD1 2.99Å; N1030-N1164 PolarHBondContact OD1-ND2 3.21Å
1031I79.8Confident68.2Low0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-71.8-49.7175.6-63.6174.7000110.6L1001 Y1002 R1005 I1022 L1033 M1034 L1035 F1047L1001-I1031 HydrophobicContact CB-CD1 3.99Å; L1001-I1031 HydrophobicContact CB-CG1 3.55Å; L1001-I1031 HydrophobicContact CD1-CG1 3.78Å; L1001-I1031 HydrophobicContact CG-CG1 4.21Å; Y1002-I1031 HydrophobicContact CD1-CD1 4.37Å; Y1002-I1031 HydrophobicContact CE1-CD1 4.48Å; R1005-I1031 HydrophobicContact CB-CD1 4.45Å; I1022-I1031 HydrophobicContact CG2-CD1 4.03Å; I1022-I1031 PolarHBondContact O-N 2.89Å; I1031-L1033 PolarHBondContact O-N 3.05Å; I1031-M1034 PolarHBondContact O-N 3.1Å; I1031-L1035 HydrophobicContact CG2-CD1 3.61Å; I1031-L1035 HydrophobicContact CG2-CG 4.27Å; I1031-L1035 WeakPolarHBondContact O-CB 3.47Å; I1031-L1035 WeakPolarHBondContact O-CG 3.44Å; I1031-L1035 PolarHBondContact O-N 3.48Å; I1031-F1047 HydrophobicContact CB-CD2 4.49Å; I1031-F1047 HydrophobicContact CB-CG 4.36Å; I1031-F1047 HydrophobicContact CD1-CE1 4.39Å; I1031-F1047 HydrophobicContact CG2-CD1 4.13Å; I1031-F1047 HydrophobicContact CG2-CD2 3.5Å; I1031-F1047 VanDerWaalsContact CG2-CD2 3.5Å; I1031-F1047 HydrophobicContact CG2-CE1 4.2Å; I1031-F1047 HydrophobicContact CG2-CE2 3.59Å; I1031-F1047 HydrophobicContact CG2-CG 3.81Å; I1031-F1047 HydrophobicContact CG2-CZ 3.96Å
1032G76.7Confident69.3Low0 Ų021.4 Ų21.40%012%0.122CC..Hα-helixtrans-60-41.2-175.700000114.6D1023 Y1036 S1044D1023-G1032 PolarHBondContact O-N 3.34Å; G1032-Y1036 WeakPolarHBondContact O-CB 3.34Å; G1032-Y1036 PolarHBondContact O-N 3.01Å; G1032-S1044 WeakPolarHBondContact O-CB 3.37Å; G1032-S1044 PolarHBondContact O-OG 2.86Å
1033L75.7Confident70.1Confident7 Ų726.3 Ų26.34%0.03714%0.144CC..Hα-helixtrans-79.1-35.1-177.5-165.671.4000111.3S1029 I1031 Y1036 A1037 L1072 V1156 V1159 L1160S1029-L1033 VanDerWaalsContact CB-N 3.3Å; S1029-L1033 WeakPolarHBondContact O-CA 3.34Å; S1029-L1033 WeakPolarHBondContact O-CB 3.46Å; S1029-L1033 PolarHBondContact O-N 3.21Å; I1031-L1033 PolarHBondContact O-N 3.05Å; L1033-Y1036 HydrophobicContact CD1-CD1 3.91Å; L1033-Y1036 WeakPolarHBondContact O-CB 3.16Å; L1033-Y1036 PolarHBondContact O-N 3.02Å; L1033-A1037 WeakPolarHBondContact O-CB 3.36Å; L1033-A1037 PolarHBondContact O-N 3.08Å; L1033-L1072 HydrophobicContact CD1-CD1 4Å; L1033-L1072 HydrophobicContact CD1-CD2 3.8Å; L1033-V1156 HydrophobicContact CD2-CG1 3.83Å; L1033-V1156 HydrophobicContact CG-CG1 3.93Å; L1033-V1159 HydrophobicContact CD2-CB 4.27Å; L1033-V1159 HydrophobicContact CD2-CG1 3.59Å; L1033-L1160 HydrophobicContact CD2-CD2 4.3Å; L1033-L1160 HydrophobicContact CD2-CG 4.23Å
1034M80.2Confident71.1Confident0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-64.6-40.3172.5-69.3-174.9-165.900111.3F989 A997 L998 L1001 N1030 I1031 A1037 V1038 L1160F989-M1034 HydrophobicContact CB-CE 3.61Å; F989-M1034 HydrophobicContact CB-SD 3.94Å; F989-M1034 HydrophobicContact CD2-CB 4.17Å; F989-M1034 HydrophobicContact CD2-CE 4.28Å; F989-M1034 HydrophobicContact CD2-CG 3.52Å; F989-M1034 HydrophobicContact CD2-SD 3.72Å; F989-M1034 HydrophobicContact CE2-CB 4.1Å; F989-M1034 HydrophobicContact CE2-CG 3.78Å; F989-M1034 HydrophobicContact CG-CE 3.94Å; F989-M1034 HydrophobicContact CG-CG 4.02Å; F989-M1034 HydrophobicContact CG-SD 4Å; F989-M1034 HydrophobicContact CZ-CG 4.46Å; A997-M1034 HydrophobicContact CB-CE 4.46Å; A997-M1034 HydrophobicContact CB-SD 3.81Å; L998-M1034 HydrophobicContact CD2-CB 3.99Å; L1001-M1034 HydrophobicContact CD1-CE 4.02Å; L1001-M1034 HydrophobicContact CD1-SD 3.6Å; L1001-M1034 VanDerWaalsContact CD1-SD 3.6Å; N1030-M1034 WeakPolarHBondContact O-CB 3.4Å; N1030-M1034 WeakPolarHBondContact O-CG 3.41Å; N1030-M1034 PolarHBondContact O-N 3.15Å; I1031-M1034 PolarHBondContact O-N 3.1Å; M1034-A1037 PolarHBondContact O-N 3.38Å; M1034-V1038 VanDerWaalsContact O-CG2 3.26Å; M1034-V1038 WeakPolarHBondContact O-CG2 3.34Å; M1034-V1038 PolarHBondContact O-N 3.39Å; M1034-L1160 HydrophobicContact CE-CD1 4.04Å
1035L83.7Confident72.7Confident8 Ų826.7 Ų26.74%0.04215%0.145CC..Hα-helixtrans-67.5-38.8173.6-68.9172.5000112.3L998 I1031 A1037 V1038 G1039 E1040 F1043 F1047L998-L1035 HydrophobicContact CD1-CD2 4.06Å; L998-L1035 HydrophobicContact CD2-CD2 4.12Å; L998-L1035 HydrophobicContact CD2-CG 4.21Å; I1031-L1035 HydrophobicContact CG2-CD1 3.61Å; I1031-L1035 HydrophobicContact CG2-CG 4.27Å; I1031-L1035 WeakPolarHBondContact O-CB 3.47Å; I1031-L1035 WeakPolarHBondContact O-CG 3.44Å; I1031-L1035 PolarHBondContact O-N 3.48Å; L1035-A1037 VanDerWaalsContact C-N 3.34Å; L1035-A1037 PolarHBondContact O-N 2.94Å; L1035-V1038 PolarHBondContact O-N 2.97Å; L1035-G1039 PolarHBondContact O-N 3.13Å; L1035-E1040 HydrophobicContact CB-CB 4.2Å; L1035-E1040 HydrophobicContact CD2-CB 3.96Å; L1035-E1040 HydrophobicContact CD2-CG 4.46Å; L1035-E1040 PolarHBondContact O-N 2.97Å; L1035-F1043 HydrophobicContact CD1-CB 3.8Å; L1035-F1047 HydrophobicContact CD1-CD2 3.74Å; L1035-F1047 HydrophobicContact CD1-CE2 3.76Å
1036Y81.7Confident75.1Confident19 Ų1931.9 Ų31.98%0.07517%0.17CC..Hα-helixtrans-59.6-42.7172.2174.3-110.2000112G1032 L1033 V1038 G1039 L1041 R1075 T1076 C1079 P1151G1032-Y1036 WeakPolarHBondContact O-CB 3.34Å; G1032-Y1036 PolarHBondContact O-N 3.01Å; L1033-Y1036 HydrophobicContact CD1-CD1 3.91Å; L1033-Y1036 WeakPolarHBondContact O-CB 3.16Å; L1033-Y1036 PolarHBondContact O-N 3.02Å; Y1036-V1038 VanDerWaalsContact C-N 3.32Å; Y1036-V1038 PolarHBondContact O-N 3.11Å; Y1036-G1039 PolarHBondContact O-N 3.39Å; Y1036-L1041 HydrophobicContact CD2-CD2 3.78Å; Y1036-L1041 HydrophobicContact CE2-CD2 4.27Å; Y1036-R1075 HydrophobicContact CE2-CB 4.44Å; Y1036-T1076 HydrophobicContact CD2-CG2 4.31Å; Y1036-C1079 HydrophobicContact CE2-CB 4.25Å; Y1036-C1079 VanDerWaalsContact CE2-SG 3.56Å; Y1036-C1079 PolarHBondContact OH-SG 2.86Å; Y1036-P1151 HydrophobicContact CD1-CG 3.98Å; Y1036-P1151 VanDerWaalsContact CE1-CD 3.45Å; Y1036-P1151 HydrophobicContact CE1-CG 3.53Å
1037A79Confident77.4Confident30 Ų3030.9 Ų30.925%0.24817%0.165CC..Hα-helixtrans-68.1-28.1176.600000113.6F989 L1033 M1034 L1035 V1156F989-A1037 HydrophobicContact CE2-CB 4.41Å; F989-A1037 HydrophobicContact CZ-CB 3.96Å; L1033-A1037 WeakPolarHBondContact O-CB 3.36Å; L1033-A1037 PolarHBondContact O-N 3.08Å; M1034-A1037 PolarHBondContact O-N 3.38Å; L1035-A1037 VanDerWaalsContact C-N 3.34Å; L1035-A1037 PolarHBondContact O-N 2.94Å; A1037-V1156 HydrophobicContact CB-CG1 4.26Å; A1037-V1156 HydrophobicContact CB-CG2 3.97Å
1038V83.8Confident79.5Confident71 Ų7129.4 Ų29.443%0.4316%0.156SC..Hα-helixtrans-81.1-17.5173.9174.30000112.3I994 M1034 L1035 Y1036 E1040I994-V1038 HydrophobicContact CD1-CG2 4.19Å; I994-V1038 HydrophobicContact CG2-CG2 3.61Å; M1034-V1038 VanDerWaalsContact O-CG2 3.26Å; M1034-V1038 WeakPolarHBondContact O-CG2 3.34Å; M1034-V1038 PolarHBondContact O-N 3.39Å; L1035-V1038 PolarHBondContact O-N 2.97Å; Y1036-V1038 VanDerWaalsContact C-N 3.32Å; Y1036-V1038 PolarHBondContact O-N 3.11Å; V1038-E1040 HydrophobicContact CG1-CG 4.02Å
1039G81.8Confident81.5Confident26 Ų2635.6 Ų35.627%0.26818%0.179SC..THydrogen-bonded Turntrans90.77.2-17500000114.7L1035 Y1036 L1041L1035-G1039 PolarHBondContact O-N 3.13Å; Y1036-G1039 PolarHBondContact O-N 3.39Å; G1039-L1041 PolarHBondContact O-N 3.01Å
1040E86.4Confident83.1Confident91 Ų9138.8 Ų38.843%0.42520%0.196SC..  trans-80.963.2177.3-72.6-69.1176.400111L1035 V1038 D1042 F1043 S1044L1035-E1040 HydrophobicContact CB-CB 4.2Å; L1035-E1040 HydrophobicContact CD2-CB 3.96Å; L1035-E1040 HydrophobicContact CD2-CG 4.46Å; L1035-E1040 PolarHBondContact O-N 2.97Å; V1038-E1040 HydrophobicContact CG1-CG 4.02Å; E1040-D1042 PolarHBondContact O-N 3.33Å; E1040-F1043 HydrophobicContact CB-CD2 4.41Å; E1040-F1043 PolarHBondContact O-N 2.94Å; E1040-S1044 WeakPolarHBondContact O-CB 3.5Å; E1040-S1044 PolarHBondContact O-N 3.38Å
1041L85.5Confident83.6Confident17 Ų1738.8 Ų38.89%0.08920%0.196CC..Hα-helixtrans-62.5-37.4-168.7-59.2179.3000113.4Y1036 G1039 S1044 M1045 T1076 C1079 R1080 Y1150Y1036-L1041 HydrophobicContact CD2-CD2 3.78Å; Y1036-L1041 HydrophobicContact CE2-CD2 4.27Å; G1039-L1041 PolarHBondContact O-N 3.01Å; L1041-S1044 PolarHBondContact O-N 3.33Å; L1041-M1045 WeakPolarHBondContact O-CG 3.37Å; L1041-M1045 PolarHBondContact O-N 3.46Å; L1041-T1076 HydrophobicContact CB-CG2 4.35Å; L1041-T1076 HydrophobicContact CD2-CG2 4.09Å; L1041-C1079 HydrophobicContact CD1-CB 3.72Å; L1041-C1079 HydrophobicContact CD2-CB 3.97Å; L1041-R1080 HydrophobicContact CD1-CB 4.45Å; L1041-Y1150 HydrophobicContact CD2-CE1 4.43Å
1042D88.2Confident83.9Confident90 Ų9039.8 Ų39.848%0.48120%0.201SC..Hα-helixtrans-62-49.3179.6-80.8-76.8000112.3E1040 M1045 Q1046 R1080E1040-D1042 PolarHBondContact O-N 3.33Å; D1042-M1045 PolarHBondContact O-N 3.1Å; D1042-Q1046 PolarHBondContact O-N 2.76Å; D1042-R1080 IonicContact OD1-CZ 3.32Å; D1042-R1080 IonicContact OD1-NH1 3.61Å; D1042-R1080 PolarHBondContact OD1-NH1 3.43Å; D1042-R1080 IonicContact OD1-NH2 2.69Å; D1042-R1080 PolarHBondContact OD1-NH2 3.19Å; D1042-R1080 IonicContact OD2-CZ 3.41Å; D1042-R1080 IonicContact OD2-NH1 2.68Å; D1042-R1080 PolarHBondContact OD2-NH1 2.8Å; D1042-R1080 IonicContact OD2-NH2 3.48Å; D1042-R1080 PolarHBondContact OD2-NH2 2.83Å
1043F87Confident84.5Confident108 Ų10842.7 Ų42.747%0.47423%0.225SC..Hα-helixtrans-67.3-41.7176.1-63.4-69.7000111.3L1035 E1040 M1045 Q1046 F1047L1035-F1043 HydrophobicContact CD1-CB 3.8Å; E1040-F1043 HydrophobicContact CB-CD2 4.41Å; E1040-F1043 PolarHBondContact O-N 2.94Å; F1043-M1045 VanDerWaalsContact C-N 3.34Å; F1043-M1045 PolarHBondContact O-N 2.89Å; F1043-Q1046 WeakPolarHBondContact O-CB 3.34Å; F1043-Q1046 PolarHBondContact O-N 3.26Å; F1043-F1047 WeakPolarHBondContact O-CD2 3.47Å; F1043-F1047 PolarHBondContact O-N 2.87Å
1044S85.9Confident84.6Confident0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-53.4-48.7175-179.90000112G1032 E1040 L1041 Q1046 F1047 L1048G1032-S1044 WeakPolarHBondContact O-CB 3.37Å; G1032-S1044 PolarHBondContact O-OG 2.86Å; E1040-S1044 WeakPolarHBondContact O-CB 3.5Å; E1040-S1044 PolarHBondContact O-N 3.38Å; L1041-S1044 PolarHBondContact O-N 3.33Å; S1044-Q1046 VanDerWaalsContact C-N 3.29Å; S1044-Q1046 PolarHBondContact O-N 2.87Å; S1044-F1047 PolarHBondContact O-N 2.9Å; S1044-L1048 WeakPolarHBondContact O-CB 3.46Å; S1044-L1048 VanDerWaalsContact O-CG 3.24Å; S1044-L1048 WeakPolarHBondContact O-CG 3.25Å; S1044-L1048 PolarHBondContact O-N 2.98Å; S1044-L1048 WeakPolarHBondContact OG-CD1 3.11Å
1045M87.7Confident84.4Confident12 Ų1243.1 Ų43.16%0.05923%0.228CC..Hα-helixtrans-59.7-34.9176.3-73.8-174.5-63.900113.4L1041 D1042 F1043 L1048 R1049 T1076 Y1077L1041-M1045 WeakPolarHBondContact O-CG 3.37Å; L1041-M1045 PolarHBondContact O-N 3.46Å; D1042-M1045 PolarHBondContact O-N 3.1Å; F1043-M1045 VanDerWaalsContact C-N 3.34Å; F1043-M1045 PolarHBondContact O-N 2.89Å; M1045-L1048 PolarHBondContact O-N 2.93Å; M1045-R1049 WeakPolarHBondContact O-CB 3.21Å; M1045-R1049 VanDerWaalsContact O-CG 3.24Å; M1045-R1049 WeakPolarHBondContact O-CG 3.11Å; M1045-R1049 PolarHBondContact O-N 3.31Å; M1045-T1076 HydrophobicContact CG-CG2 3.48Å; M1045-T1076 VanDerWaalsContact CG-CG2 3.48Å; M1045-Y1077 HydrophobicContact SD-CD1 3.88Å; M1045-Y1077 HydrophobicContact SD-CE1 3.66Å
1046Q89Confident84.5Confident111 Ų11145 Ų4552%0.51924%0.238SC..Hα-helixtrans-65.4-48.7179.6-170.51761100111.1D1042 F1043 S1044 R1049 N1050D1042-Q1046 PolarHBondContact O-N 2.76Å; F1043-Q1046 WeakPolarHBondContact O-CB 3.34Å; F1043-Q1046 PolarHBondContact O-N 3.26Å; S1044-Q1046 VanDerWaalsContact C-N 3.29Å; S1044-Q1046 PolarHBondContact O-N 2.87Å; Q1046-R1049 PolarHBondContact O-N 3.23Å; Q1046-N1050 PolarHBondContact O-N 3.46Å; Q1046-N1050 VanDerWaalsContact O-N 3.11Å; Q1046-N1050 PolarHBondContact O-OD1 2.95Å
1047F86Confident84.3Confident20 Ų2049 Ų499%0.08825%0.253CS..Hα-helixtrans-63.7-43.1174.9-65.7-71.7000111.5Y1002 D1023 V1024 I1031 L1035 F1043 S1044 R1049 N1050 A1051Y1002-F1047 AromaticContact CE1-CZ 3.95Å; Y1002-F1047 HydrophobicContact CE1-CZ 3.95Å; D1023-F1047 HydrophobicContact CB-CB 4.42Å; D1023-F1047 HydrophobicContact CB-CD1 3.97Å; V1024-F1047 WeakPolarHBondContact CG2-O 3.38Å; I1031-F1047 HydrophobicContact CB-CD2 4.49Å; I1031-F1047 HydrophobicContact CB-CG 4.36Å; I1031-F1047 HydrophobicContact CD1-CE1 4.39Å; I1031-F1047 HydrophobicContact CG2-CD1 4.13Å; I1031-F1047 HydrophobicContact CG2-CD2 3.5Å; I1031-F1047 VanDerWaalsContact CG2-CD2 3.5Å; I1031-F1047 HydrophobicContact CG2-CE1 4.2Å; I1031-F1047 HydrophobicContact CG2-CE2 3.59Å; I1031-F1047 HydrophobicContact CG2-CG 3.81Å; I1031-F1047 HydrophobicContact CG2-CZ 3.96Å; L1035-F1047 HydrophobicContact CD1-CD2 3.74Å; L1035-F1047 HydrophobicContact CD1-CE2 3.76Å; F1043-F1047 WeakPolarHBondContact O-CD2 3.47Å; F1043-F1047 PolarHBondContact O-N 2.87Å; S1044-F1047 PolarHBondContact O-N 2.9Å; F1047-R1049 PolarHBondContact O-N 3.03Å; F1047-N1050 PolarHBondContact O-N 3.43Å; F1047-A1051 PolarHBondContact O-N 3.29Å; F1047-A1051 VanDerWaalsContact O-N 3.13Å
1048L84.3Confident84Confident1 Ų148.1 Ų48.11%0.00524%0.243CC..Hα-helixtrans-58.3-39.8176.2-74.5168.4000114.1V1024 S1029 S1044 M1045 L1052 L1072 L1073 T1076V1024-L1048 HydrophobicContact CG2-CD2 4.07Å; S1029-L1048 WeakPolarHBondContact OG-CD2 3.34Å; S1044-L1048 WeakPolarHBondContact O-CB 3.46Å; S1044-L1048 VanDerWaalsContact O-CG 3.24Å; S1044-L1048 WeakPolarHBondContact O-CG 3.25Å; S1044-L1048 PolarHBondContact O-N 2.98Å; S1044-L1048 WeakPolarHBondContact OG-CD1 3.11Å; M1045-L1048 PolarHBondContact O-N 2.93Å; L1048-L1052 WeakPolarHBondContact O-CB 3.35Å; L1048-L1052 PolarHBondContact O-N 2.95Å; L1048-L1052 VanDerWaalsContact O-N 3.11Å; L1048-L1072 HydrophobicContact CD1-CB 4.42Å; L1048-L1072 HydrophobicContact CD2-CB 3.59Å; L1048-L1072 HydrophobicContact CD2-CD1 3.87Å; L1048-L1072 HydrophobicContact CD2-CG 4.43Å; L1048-L1073 HydrophobicContact CB-CD2 3.48Å; L1048-L1073 VanDerWaalsContact CB-CD2 3.48Å; L1048-L1073 HydrophobicContact CB-CG 3.89Å; L1048-L1073 HydrophobicContact CD1-CD2 4.29Å; L1048-L1073 HydrophobicContact CG-CD2 4.48Å; L1048-T1076 HydrophobicContact CD1-CG2 4.3Å; L1048-T1076 VanDerWaalsContact CD1-OG1 3.24Å; L1048-T1076 WeakPolarHBondContact CD1-OG1 3.05Å
1049R88.6Confident83.3Confident135 Ų13545.9 Ų45.951%0.50923%0.228SC..Hα-helixtrans-72.5-44.9177.2-74.8172.3177.4-175.5-1.4112.7M1045 Q1046 F1047 A1051 L1052 A1053 L1073 Y1077M1045-R1049 WeakPolarHBondContact O-CB 3.21Å; M1045-R1049 VanDerWaalsContact O-CG 3.24Å; M1045-R1049 WeakPolarHBondContact O-CG 3.11Å; M1045-R1049 PolarHBondContact O-N 3.31Å; Q1046-R1049 PolarHBondContact O-N 3.23Å; F1047-R1049 PolarHBondContact O-N 3.03Å; R1049-A1051 PolarHBondContact O-N 2.9Å; R1049-L1052 PolarHBondContact O-N 3.15Å; R1049-A1053 PolarHBondContact O-N 3.28Å; R1049-A1053 VanDerWaalsContact O-N 3.11Å; R1049-L1073 HydrophobicContact CG-CD2 4.1Å; R1049-Y1077 PolarHBondContact NE-OH 2.98Å; R1049-Y1077 VanDerWaalsContact NE-OH 3.08Å; R1049-Y1077 PolarHBondContact NH2-OH 3.05Å
1050N85.2Confident83Confident68 Ų6845.8 Ų45.836%0.36423%0.227SC..Hα-helixtrans-56.1-44.3178.6-75.90.6000110.9Q1046 F1047 A1053 V1054Q1046-N1050 PolarHBondContact O-N 3.46Å; Q1046-N1050 VanDerWaalsContact O-N 3.11Å; Q1046-N1050 PolarHBondContact O-OD1 2.95Å; F1047-N1050 PolarHBondContact O-N 3.43Å; N1050-A1053 WeakPolarHBondContact O-CB 3.39Å; N1050-A1053 PolarHBondContact O-N 3.16Å; N1050-V1054 PolarHBondContact O-N 3.17Å; N1050-V1054 VanDerWaalsContact O-N 3.14Å
1051A80.4Confident82.8Confident1 Ų146.9 Ų46.91%0.00824%0.236CC..Hα-helixtrans-77.1-31.9-17900000114.9V1024 F1047 R1049 A1053 V1054 N1055V1024-A1051 HydrophobicContact CB-CB 3.29Å; V1024-A1051 HydrophobicContact CG1-CB 4.11Å; V1024-A1051 HydrophobicContact CG2-CB 3.48Å; V1024-A1051 VanDerWaalsContact CG2-CB 3.48Å; F1047-A1051 PolarHBondContact O-N 3.29Å; F1047-A1051 VanDerWaalsContact O-N 3.13Å; R1049-A1051 PolarHBondContact O-N 2.9Å; A1051-A1053 PolarHBondContact O-N 3.05Å; A1051-V1054 PolarHBondContact O-N 2.92Å; A1051-N1055 WeakPolarHBondContact O-CB 3.39Å; A1051-N1055 VanDerWaalsContact O-CG 3.29Å; A1051-N1055 PolarHBondContact O-N 3.15Å; A1051-N1055 PolarHBondContact O-ND2 3.45Å
1052L86.2Confident82.6Confident21 Ų2150.2 Ų50.211%0.1125%0.251CS..Hα-helixtrans-55.6-42.6167.6176.965.4000109.6L1048 R1049 V1054 N1055 L1056 T1066 Y1070 L1073L1048-L1052 WeakPolarHBondContact O-CB 3.35Å; L1048-L1052 PolarHBondContact O-N 2.95Å; L1048-L1052 VanDerWaalsContact O-N 3.11Å; R1049-L1052 PolarHBondContact O-N 3.15Å; L1052-V1054 PolarHBondContact O-N 3.44Å; L1052-N1055 PolarHBondContact O-N 3.04Å; L1052-L1056 HydrophobicContact CD1-CD1 4.01Å; L1052-L1056 HydrophobicContact CD1-CD2 4.48Å; L1052-L1056 HydrophobicContact CD1-CG 4Å; L1052-L1056 HydrophobicContact CD2-CD1 4.42Å; L1052-L1056 HydrophobicContact CG-CD1 3.77Å; L1052-L1056 HydrophobicContact CG-CG 4.23Å; L1052-L1056 VanDerWaalsContact O-CB 3.32Å; L1052-L1056 WeakPolarHBondContact O-CB 3.3Å; L1052-L1056 WeakPolarHBondContact O-CD1 3.08Å; L1052-L1056 WeakPolarHBondContact O-CG 3.36Å; L1052-L1056 PolarHBondContact O-N 2.97Å; L1052-T1066 HydrophobicContact CD1-CG2 3.96Å; L1052-Y1070 HydrophobicContact CD1-CD1 4.22Å; L1052-Y1070 HydrophobicContact CD1-CD2 4.22Å; L1052-Y1070 HydrophobicContact CD1-CE1 3.95Å; L1052-Y1070 HydrophobicContact CD1-CE2 3.94Å; L1052-Y1070 HydrophobicContact CD1-CG 4.35Å; L1052-Y1070 HydrophobicContact CD2-CD1 3.97Å; L1052-Y1070 HydrophobicContact CD2-CE1 3.47Å; L1052-Y1070 VanDerWaalsContact CD2-CE1 3.47Å; L1052-Y1070 HydrophobicContact CG-CE1 4.35Å; L1052-L1073 HydrophobicContact CB-CD1 4.24Å; L1052-L1073 HydrophobicContact CD2-CD1 3.65Å; L1052-L1073 HydrophobicContact CG-CD1 4.49Å
1053A87.2Confident81.8Confident61 Ų6146.3 Ų46.350%0.50423%0.23SC..Hα-helixtrans-62.8-41.2175.800000113.3R1049 N1050 A1051 R1057R1049-A1053 PolarHBondContact O-N 3.28Å; R1049-A1053 VanDerWaalsContact O-N 3.11Å; N1050-A1053 WeakPolarHBondContact O-CB 3.39Å; N1050-A1053 PolarHBondContact O-N 3.16Å; A1051-A1053 PolarHBondContact O-N 3.05Å; A1053-R1057 WeakPolarHBondContact O-CB 3.5Å; A1053-R1057 PolarHBondContact O-N 2.87Å; A1053-R1057 VanDerWaalsContact O-N 3.12Å
1054V78.4Confident81.1Confident15 Ų1543.2 Ų43.29%0.09122%0.218CC..Hα-helixtrans-65.9-42.8174.7176.50000111.5A1020 N1050 A1051 L1052 R1057 Y1058A1020-V1054 HydrophobicContact CB-CB 4.17Å; A1020-V1054 HydrophobicContact CB-CG1 3.68Å; N1050-V1054 PolarHBondContact O-N 3.17Å; N1050-V1054 VanDerWaalsContact O-N 3.14Å; A1051-V1054 PolarHBondContact O-N 2.92Å; L1052-V1054 PolarHBondContact O-N 3.44Å; V1054-R1057 WeakPolarHBondContact O-CB 3.32Å; V1054-R1057 PolarHBondContact O-N 2.7Å; V1054-Y1058 HydrophobicContact CG1-CD2 3.81Å; V1054-Y1058 HydrophobicContact CG1-CE2 4.1Å; V1054-Y1058 WeakPolarHBondContact O-CD2 3.44Å; V1054-Y1058 PolarHBondContact O-N 3.35Å; V1054-Y1058 VanDerWaalsContact O-N 3.09Å
1055N76.8Confident80.4Confident0 Ų043.9 Ų43.90%022%0.221CC..Hα-helixtrans-66.6-43.6179.7-72.9-29.6000111.9N1025 A1051 L1052 R1057 Y1058 F1059 G1060 S1069N1025-N1055 WeakPolarHBondContact CB-ND2 3.29Å; A1051-N1055 WeakPolarHBondContact O-CB 3.39Å; A1051-N1055 VanDerWaalsContact O-CG 3.29Å; A1051-N1055 PolarHBondContact O-N 3.15Å; A1051-N1055 PolarHBondContact O-ND2 3.45Å; L1052-N1055 PolarHBondContact O-N 3.04Å; N1055-R1057 PolarHBondContact O-N 3.08Å; N1055-Y1058 PolarHBondContact O-N 2.74Å; N1055-F1059 HydrophobicContact CB-CD2 4.09Å; N1055-F1059 WeakPolarHBondContact O-CA 3.36Å; N1055-F1059 WeakPolarHBondContact O-CB 3.32Å; N1055-F1059 PolarHBondContact O-N 2.8Å; N1055-F1059 VanDerWaalsContact OD1-CE2 3.29Å; N1055-F1059 WeakPolarHBondContact OD1-CE2 3.36Å; N1055-G1060 PolarHBondContact O-N 3.43Å; N1055-S1069 PolarHBondContact ND2-OG 2.88Å
1056L84.4Confident79.9Confident49 Ų4943.3 Ų43.326%0.25722%0.218SC..Hα-helixtrans-59.6-35.7173-71168.1000111.9L1052 G1060 N1061 T1066L1052-L1056 HydrophobicContact CD1-CD1 4.01Å; L1052-L1056 HydrophobicContact CD1-CD2 4.48Å; L1052-L1056 HydrophobicContact CD1-CG 4Å; L1052-L1056 HydrophobicContact CD2-CD1 4.42Å; L1052-L1056 HydrophobicContact CG-CD1 3.77Å; L1052-L1056 HydrophobicContact CG-CG 4.23Å; L1052-L1056 VanDerWaalsContact O-CB 3.32Å; L1052-L1056 WeakPolarHBondContact O-CB 3.3Å; L1052-L1056 WeakPolarHBondContact O-CD1 3.08Å; L1052-L1056 WeakPolarHBondContact O-CG 3.36Å; L1052-L1056 PolarHBondContact O-N 2.97Å; L1056-G1060 VanDerWaalsContact O-CA 3.22Å; L1056-G1060 WeakPolarHBondContact O-CA 3.33Å; L1056-G1060 PolarHBondContact O-N 3.48Å; L1056-N1061 VanDerWaalsContact CD2-OD1 3.24Å; L1056-N1061 WeakPolarHBondContact CD2-OD1 3.35Å; L1056-T1066 HydrophobicContact CD2-CG2 3.53Å; L1056-T1066 HydrophobicContact CG-CG2 4.13Å
1057R79.1Confident79.4Confident101 Ų10138 Ų3838%0.38119%0.193SC..Hα-helixtrans-71-42.1178.9-179177.5177.6177.7-4.1113.6D1015 A1053 V1054 N1055D1015-R1057 IonicContact OD1-NH1 3.3Å; D1015-R1057 PolarHBondContact OD1-NH1 2.98Å; D1015-R1057 IonicContact OD2-CZ 3.46Å; D1015-R1057 IonicContact OD2-NH1 2.68Å; D1015-R1057 PolarHBondContact OD2-NH1 3.33Å; A1053-R1057 WeakPolarHBondContact O-CB 3.5Å; A1053-R1057 PolarHBondContact O-N 2.87Å; A1053-R1057 VanDerWaalsContact O-N 3.12Å; V1054-R1057 WeakPolarHBondContact O-CB 3.32Å; V1054-R1057 PolarHBondContact O-N 2.7Å; N1055-R1057 PolarHBondContact O-N 3.08Å
1058Y72Confident78.9Confident12 Ų1238 Ų385%0.04719%0.194CC..Hα-helixtrans-100.8-30.6-171.8-70-61.8000114.8T701 Y704 D1015 V1054 N1055T701-Y1058 VanDerWaalsContact CB-O 3.22Å; T701-Y1058 WeakPolarHBondContact CB-O 3.5Å; T701-Y1058 WeakPolarHBondContact CG2-O 3.04Å; T701-Y1058 WeakPolarHBondContact O-CD1 3.4Å; Y704-Y1058 HydrophobicContact CD1-CD1 4.04Å; Y704-Y1058 AromaticContact CD1-CE1 3.95Å; Y704-Y1058 HydrophobicContact CD1-CE1 3.95Å; D1015-Y1058 PolarHBondContact O-OH 2.79Å; V1054-Y1058 HydrophobicContact CG1-CD2 3.81Å; V1054-Y1058 HydrophobicContact CG1-CE2 4.1Å; V1054-Y1058 WeakPolarHBondContact O-CD2 3.44Å; V1054-Y1058 PolarHBondContact O-N 3.35Å; V1054-Y1058 VanDerWaalsContact O-N 3.09Å; N1055-Y1058 PolarHBondContact O-N 2.74Å
1059F68.7Low78.7Confident25 Ų2538 Ų3811%0.1119%0.194CC..THydrogen-bonded Turntrans-108.1-15.9178.1-49.7-70.2000113.1C657 N1055 H1063 K1065C657-F1059 HydrophobicContact CB-CE1 3.89Å; C657-F1059 WeakPolarHBondContact O-CE1 3.42Å; N1055-F1059 HydrophobicContact CB-CD2 4.09Å; N1055-F1059 WeakPolarHBondContact O-CA 3.36Å; N1055-F1059 WeakPolarHBondContact O-CB 3.32Å; N1055-F1059 PolarHBondContact O-N 2.8Å; N1055-F1059 VanDerWaalsContact OD1-CE2 3.29Å; N1055-F1059 WeakPolarHBondContact OD1-CE2 3.36Å; F1059-H1063 HydrophobicContact CB-CB 3.64Å; F1059-H1063 VanDerWaalsContact CB-CG 3.48Å; F1059-H1063 WeakPolarHBondContact CB-ND1 3.16Å; F1059-H1063 AromaticContact CD1-CE1 3.68Å; F1059-H1063 AromaticContact CD1-ND1 3.92Å; F1059-H1063 AromaticContact CG-CE1 3.84Å; F1059-H1063 AromaticContact CG-ND1 3.59Å; F1059-K1065 HydrophobicContact CD2-CB 4.33Å; F1059-K1065 HydrophobicContact CD2-CD 4.14Å; F1059-K1065 HydrophobicContact CE1-CD 4.14Å; F1059-K1065 HydrophobicContact CE2-CD 3.73Å; F1059-K1065 HydrophobicContact CZ-CD 3.74Å
1060G75.8Confident78.7Confident24 Ų2433.4 Ų33.425%0.24718%0.177CC..  trans82.5-174.6-17800000114N1055 L1056 E1062 T1066N1055-G1060 PolarHBondContact O-N 3.43Å; L1056-G1060 VanDerWaalsContact O-CA 3.22Å; L1056-G1060 WeakPolarHBondContact O-CA 3.33Å; L1056-G1060 PolarHBondContact O-N 3.48Å; G1060-E1062 VanDerWaalsContact C-N 3.34Å; G1060-T1066 PolarHBondContact O-OG1 3.08Å
1061N83Confident78.7Confident114 Ų11430.7 Ų30.761%0.6116%0.162SC*.SBendtrans-70-30.4-177.9-62.4-17.2000112.7L1056 I1096L1056-N1061 VanDerWaalsContact CD2-OD1 3.24Å; L1056-N1061 WeakPolarHBondContact CD2-OD1 3.35Å; N1061-I1096 WeakPolarHBondContact O-CD1 3.18Å
1062E80.2Confident78.7Confident87 Ų8730.9 Ų30.941%0.40716%0.163SC..SBendtrans-109.361.9-168.5-58.3-169.9152.300111.2G1060 K1099G1060-E1062 VanDerWaalsContact C-N 3.34Å; E1062-K1099 WeakPolarHBondContact OE1-CD 3.47Å; E1062-K1099 IonicContact OE1-NZ 2.77Å; E1062-K1099 PolarHBondContact OE1-NZ 2.99Å; E1062-K1099 IonicContact OE2-NZ 3.35Å; E1062-K1099 PolarHBondContact OE2-NZ 3.01Å
1063H71.3Confident78.8Confident7 Ų730 Ų303%0.03216%0.159CC..SBendtrans-136.7146.5-179.5-165.7-109.9000112.1F658 F1059 K1065 T1066 A1067F658-H1063 AromaticContact CD1-CD2 3.63Å; F658-H1063 AromaticContact CD1-NE2 3.2Å; F658-H1063 WeakPolarHBondContact CD1-NE2 3.46Å; F658-H1063 AromaticContact CD2-NE2 3.85Å; F658-H1063 AromaticContact CE1-CD2 3.28Å; F658-H1063 WeakPolarHBondContact CE1-CD2 3.48Å; F658-H1063 AromaticContact CE1-NE2 3.37Å; F658-H1063 WeakPolarHBondContact CE1-NE2 3.46Å; F658-H1063 AromaticContact CE2-NE2 3.97Å; F658-H1063 AromaticContact CG-NE2 3.46Å; F658-H1063 WeakPolarHBondContact CG-NE2 3.29Å; F658-H1063 AromaticContact CZ-CD2 3.62Å; F658-H1063 AromaticContact CZ-NE2 3.74Å; F1059-H1063 HydrophobicContact CB-CB 3.64Å; F1059-H1063 VanDerWaalsContact CB-CG 3.48Å; F1059-H1063 WeakPolarHBondContact CB-ND1 3.16Å; F1059-H1063 AromaticContact CD1-CE1 3.68Å; F1059-H1063 AromaticContact CD1-ND1 3.92Å; F1059-H1063 AromaticContact CG-CE1 3.84Å; F1059-H1063 AromaticContact CG-ND1 3.59Å; H1063-K1065 VanDerWaalsContact C-N 3.27Å; H1063-K1065 WeakPolarHBondContact ND1-CB 3.25Å; H1063-K1065 PolarHBondContact ND1-N 2.97Å; H1063-K1065 PolarHBondContact O-N 2.74Å; H1063-T1066 WeakPolarHBondContact O-CA 3.42Å; H1063-T1066 WeakPolarHBondContact O-CB 3.44Å; H1063-T1066 PolarHBondContact O-N 2.93Å; H1063-A1067 PolarHBondContact O-N 2.95Å
1064L73.7Confident78.9Confident44 Ų4427.1 Ų27.123%0.2314%0.135CC..Hα-helixtrans-57.6-39.9-180-64.7176.7000112F499 T1066 A1067 L1068 Y1097 L1100 L1101F499-L1064 HydrophobicContact CE2-CD1 4.35Å; F499-L1064 HydrophobicContact CZ-CD1 4.25Å; L1064-T1066 VanDerWaalsContact C-N 3.31Å; L1064-T1066 PolarHBondContact O-N 3.19Å; L1064-A1067 PolarHBondContact O-N 2.87Å; L1064-L1068 WeakPolarHBondContact O-CB 3.43Å; L1064-L1068 WeakPolarHBondContact O-CD1 3.39Å; L1064-L1068 VanDerWaalsContact O-CG 3.3Å; L1064-L1068 WeakPolarHBondContact O-CG 3.26Å; L1064-L1068 PolarHBondContact O-N 2.87Å; L1064-Y1097 HydrophobicContact CD2-CD1 4Å; L1064-Y1097 HydrophobicContact CD2-CE1 4.12Å; L1064-L1100 HydrophobicContact CD2-CB 4.27Å; L1064-L1100 HydrophobicContact CD2-CD1 3.92Å; L1064-L1100 HydrophobicContact CG-CD1 4.05Å; L1064-L1101 HydrophobicContact CD1-CD2 4.42Å; L1064-L1101 HydrophobicContact CD2-CD1 3.93Å; L1064-L1101 HydrophobicContact CD2-CD2 3.98Å; L1064-L1101 HydrophobicContact CD2-CG 3.91Å
1065K70.8Confident79.2Confident13 Ų1330.3 Ų30.36%0.05715%0.145CC..Hα-helixtrans-62.5-36.9175.4-61.4-178.5177170.30112.5C657 N1025 F1026 F1059 H1063 S1069C657-K1065 PolarHBondContact O-NZ 3.35Å; N1025-K1065 PolarHBondContact ND2-O 3.49Å; N1025-K1065 VanDerWaalsContact OD1-CB 3.28Å; N1025-K1065 WeakPolarHBondContact OD1-CB 3.41Å; N1025-K1065 WeakPolarHBondContact OD1-CD 3.44Å; N1025-K1065 WeakPolarHBondContact OD1-CG 3.48Å; F1026-K1065 VanDerWaalsContact CE2-NZ 3.34Å; F1059-K1065 HydrophobicContact CD2-CB 4.33Å; F1059-K1065 HydrophobicContact CD2-CD 4.14Å; F1059-K1065 HydrophobicContact CE1-CD 4.14Å; F1059-K1065 HydrophobicContact CE2-CD 3.73Å; F1059-K1065 HydrophobicContact CZ-CD 3.74Å; H1063-K1065 VanDerWaalsContact C-N 3.27Å; H1063-K1065 WeakPolarHBondContact ND1-CB 3.25Å; H1063-K1065 PolarHBondContact ND1-N 2.97Å; H1063-K1065 PolarHBondContact O-N 2.74Å; K1065-S1069 PolarHBondContact O-N 2.98Å; K1065-S1069 VanDerWaalsContact O-N 3.09Å; K1065-S1069 PolarHBondContact O-OG 3.32Å
1066T76.5Confident79.7Confident0 Ų030.3 Ų30.30%015%0.145CC..Hα-helixtrans-69.9-44.6176.2-51.60000110.6L1052 L1056 G1060 H1063 L1064 L1068 S1069 Y1070L1052-T1066 HydrophobicContact CD1-CG2 3.96Å; L1056-T1066 HydrophobicContact CD2-CG2 3.53Å; L1056-T1066 HydrophobicContact CG-CG2 4.13Å; G1060-T1066 PolarHBondContact O-OG1 3.08Å; H1063-T1066 WeakPolarHBondContact O-CA 3.42Å; H1063-T1066 WeakPolarHBondContact O-CB 3.44Å; H1063-T1066 PolarHBondContact O-N 2.93Å; L1064-T1066 VanDerWaalsContact C-N 3.31Å; L1064-T1066 PolarHBondContact O-N 3.19Å; T1066-L1068 PolarHBondContact O-N 3.16Å; T1066-S1069 WeakPolarHBondContact O-CB 3.09Å; T1066-S1069 PolarHBondContact O-N 3.11Å; T1066-S1069 VanDerWaalsContact O-N 3.15Å; T1066-Y1070 HydrophobicContact CG2-CD2 4.13Å; T1066-Y1070 HydrophobicContact CG2-CE2 3.75Å; T1066-Y1070 VanDerWaalsContact O-CD2 3.32Å; T1066-Y1070 WeakPolarHBondContact O-CD2 3.28Å; T1066-Y1070 PolarHBondContact O-N 2.99Å
1067A79.5Confident79.9Confident0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-58.2-45.9174.300000112.6H1063 L1064 S1069 Y1070 D1071 I1096 Y1097H1063-A1067 PolarHBondContact O-N 2.95Å; L1064-A1067 PolarHBondContact O-N 2.87Å; A1067-S1069 VanDerWaalsContact C-N 3.28Å; A1067-S1069 PolarHBondContact O-N 3.5Å; A1067-Y1070 WeakPolarHBondContact O-CB 3.19Å; A1067-Y1070 PolarHBondContact O-N 2.75Å; A1067-Y1070 VanDerWaalsContact O-N 3.12Å; A1067-D1071 PolarHBondContact O-N 3.35Å; A1067-I1096 HydrophobicContact CB-CB 3.84Å; A1067-I1096 HydrophobicContact CB-CD1 4.03Å; A1067-I1096 HydrophobicContact CB-CG2 3.76Å; A1067-Y1097 HydrophobicContact CB-CD1 3.96Å; A1067-Y1097 HydrophobicContact CB-CE1 3.59Å
1068L75.6Confident80.3Confident21 Ų2124.6 Ų24.611%0.1112%0.122CC..Hα-helixtrans-64.1-31.4176.5-75.1160.6000113.2V1027 T1028 L1064 T1066 L1072 Y1097V1027-L1068 HydrophobicContact CB-CD1 4.11Å; V1027-L1068 HydrophobicContact CG1-CD1 3.57Å; V1027-L1068 HydrophobicContact CG2-CD1 4.47Å; V1027-L1068 VanDerWaalsContact O-CB 3.25Å; V1027-L1068 WeakPolarHBondContact O-CB 3.42Å; V1027-L1068 WeakPolarHBondContact O-CD1 3.14Å; T1028-L1068 HydrophobicContact CG2-CB 4.24Å; T1028-L1068 HydrophobicContact CG2-CD2 4.04Å; L1064-L1068 WeakPolarHBondContact O-CB 3.43Å; L1064-L1068 WeakPolarHBondContact O-CD1 3.39Å; L1064-L1068 VanDerWaalsContact O-CG 3.3Å; L1064-L1068 WeakPolarHBondContact O-CG 3.26Å; L1064-L1068 PolarHBondContact O-N 2.87Å; T1066-L1068 PolarHBondContact O-N 3.16Å; L1068-L1072 PolarHBondContact O-N 3.4Å; L1068-L1072 VanDerWaalsContact O-N 3.1Å; L1068-Y1097 WeakPolarHBondContact CD2-OH 3.35Å; L1068-Y1097 WeakPolarHBondContact CG-OH 3.49Å
1069S79.3Confident80.8Confident0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-69.2-38.2173.3-54.10000111.2N1055 K1065 T1066 A1067 L1073N1055-S1069 PolarHBondContact ND2-OG 2.88Å; K1065-S1069 PolarHBondContact O-N 2.98Å; K1065-S1069 VanDerWaalsContact O-N 3.09Å; K1065-S1069 PolarHBondContact O-OG 3.32Å; T1066-S1069 WeakPolarHBondContact O-CB 3.09Å; T1066-S1069 PolarHBondContact O-N 3.11Å; T1066-S1069 VanDerWaalsContact O-N 3.15Å; A1067-S1069 VanDerWaalsContact C-N 3.28Å; A1067-S1069 PolarHBondContact O-N 3.5Å; S1069-L1073 WeakPolarHBondContact O-CB 3.45Å; S1069-L1073 WeakPolarHBondContact O-CG 3.46Å; S1069-L1073 PolarHBondContact O-N 3.31Å; S1069-L1073 VanDerWaalsContact O-N 3.11Å
1070Y89.3Confident81.6Confident39 Ų3928.6 Ų28.615%0.15314%0.139CC..Hα-helixtrans-67.7-42.1173-76.2-57.6000112.9L1052 T1066 A1067 L1073 A1074 N1089 Q1092 T1093 I1096L1052-Y1070 HydrophobicContact CD1-CD1 4.22Å; L1052-Y1070 HydrophobicContact CD1-CD2 4.22Å; L1052-Y1070 HydrophobicContact CD1-CE1 3.95Å; L1052-Y1070 HydrophobicContact CD1-CE2 3.94Å; L1052-Y1070 HydrophobicContact CD1-CG 4.35Å; L1052-Y1070 HydrophobicContact CD2-CD1 3.97Å; L1052-Y1070 HydrophobicContact CD2-CE1 3.47Å; L1052-Y1070 VanDerWaalsContact CD2-CE1 3.47Å; L1052-Y1070 HydrophobicContact CG-CE1 4.35Å; T1066-Y1070 HydrophobicContact CG2-CD2 4.13Å; T1066-Y1070 HydrophobicContact CG2-CE2 3.75Å; T1066-Y1070 VanDerWaalsContact O-CD2 3.32Å; T1066-Y1070 WeakPolarHBondContact O-CD2 3.28Å; T1066-Y1070 PolarHBondContact O-N 2.99Å; A1067-Y1070 WeakPolarHBondContact O-CB 3.19Å; A1067-Y1070 PolarHBondContact O-N 2.75Å; A1067-Y1070 VanDerWaalsContact O-N 3.12Å; Y1070-L1073 PolarHBondContact O-N 3.31Å; Y1070-A1074 WeakPolarHBondContact O-CB 3.13Å; Y1070-A1074 PolarHBondContact O-N 3.49Å; Y1070-N1089 HydrophobicContact CD1-CB 4.14Å; Y1070-N1089 VanDerWaalsContact CD1-OD1 3.26Å; Y1070-N1089 WeakPolarHBondContact CD1-OD1 3.33Å; Y1070-Q1092 HydrophobicContact CD1-CB 4.4Å; Y1070-Q1092 HydrophobicContact CD2-CB 3.89Å; Y1070-Q1092 HydrophobicContact CE2-CB 4.07Å; Y1070-Q1092 HydrophobicContact CG-CB 4.06Å; Y1070-T1093 WeakPolarHBondContact CB-OG1 3.42Å; Y1070-I1096 HydrophobicContact CD2-CD1 3.99Å; Y1070-I1096 HydrophobicContact CE2-CD1 4.22Å
1071D84.5Confident81.9Confident10 Ų1030.3 Ų30.35%0.05314%0.142CC..Hα-helixtrans-57.5-51.8175.4178.225.4000111.7A1067 L1073 A1074 R1075 T1093A1067-D1071 PolarHBondContact O-N 3.35Å; D1071-L1073 PolarHBondContact O-N 2.96Å; D1071-A1074 WeakPolarHBondContact O-CB 3.33Å; D1071-A1074 PolarHBondContact O-N 3.24Å; D1071-A1074 VanDerWaalsContact O-N 3.14Å; D1071-R1075 WeakPolarHBondContact O-CG 3.33Å; D1071-R1075 PolarHBondContact O-N 2.78Å; D1071-R1075 IonicContact OD1-CZ 3.04Å; D1071-R1075 IonicContact OD1-NE 2.72Å; D1071-R1075 PolarHBondContact OD1-NE 3.04Å; D1071-R1075 IonicContact OD1-NH2 3.82Å; D1071-R1075 PolarHBondContact OD1-NH2 3.17Å; D1071-R1075 IonicContact OD2-CZ 3.44Å; D1071-R1075 IonicContact OD2-NE 3.68Å; D1071-R1075 IonicContact OD2-NH2 3.55Å; D1071-R1075 PolarHBondContact OD2-NH2 3.19Å; D1071-T1093 HydrophobicContact CB-CG2 3.78Å; D1071-T1093 PolarHBondContact N-OG1 2.89Å; D1071-T1093 VanDerWaalsContact N-OG1 3.11Å
1072L81.2Confident82.2Confident6 Ų627.6 Ų27.63%0.03113%0.128CC..Hα-helixtrans-64.5-37.2176.3-74.1-161.3000113.4T1028 S1029 L1033 L1048 L1068 A1074 T1076T1028-L1072 VanDerWaalsContact CB-CD1 3.5Å; T1028-L1072 HydrophobicContact CG2-CD1 4.23Å; T1028-L1072 HydrophobicContact CG2-CG 4.38Å; T1028-L1072 WeakPolarHBondContact OG1-CD1 3.34Å; S1029-L1072 VanDerWaalsContact OG-CD1 3.26Å; S1029-L1072 WeakPolarHBondContact OG-CD1 3.49Å; L1033-L1072 HydrophobicContact CD1-CD1 4Å; L1033-L1072 HydrophobicContact CD1-CD2 3.8Å; L1048-L1072 HydrophobicContact CD1-CB 4.42Å; L1048-L1072 HydrophobicContact CD2-CB 3.59Å; L1048-L1072 HydrophobicContact CD2-CD1 3.87Å; L1048-L1072 HydrophobicContact CD2-CG 4.43Å; L1068-L1072 PolarHBondContact O-N 3.4Å; L1068-L1072 VanDerWaalsContact O-N 3.1Å; L1072-A1074 VanDerWaalsContact C-N 3.35Å; L1072-T1076 WeakPolarHBondContact O-CB 3.43Å; L1072-T1076 PolarHBondContact O-N 3.07Å; L1072-T1076 PolarHBondContact O-OG1 2.81Å
1073L88.4Confident82.5Confident2 Ų224.1 Ų24.11%0.0111%0.111CC..Hα-helixtrans-62.1-44171.8-81.4168.3000111L1048 R1049 L1052 S1069 Y1070 D1071 R1075 T1076 Y1077L1048-L1073 HydrophobicContact CB-CD2 3.48Å; L1048-L1073 VanDerWaalsContact CB-CD2 3.48Å; L1048-L1073 HydrophobicContact CB-CG 3.89Å; L1048-L1073 HydrophobicContact CD1-CD2 4.29Å; L1048-L1073 HydrophobicContact CG-CD2 4.48Å; R1049-L1073 HydrophobicContact CG-CD2 4.1Å; L1052-L1073 HydrophobicContact CB-CD1 4.24Å; L1052-L1073 HydrophobicContact CD2-CD1 3.65Å; L1052-L1073 HydrophobicContact CG-CD1 4.49Å; S1069-L1073 WeakPolarHBondContact O-CB 3.45Å; S1069-L1073 WeakPolarHBondContact O-CG 3.46Å; S1069-L1073 PolarHBondContact O-N 3.31Å; S1069-L1073 VanDerWaalsContact O-N 3.11Å; Y1070-L1073 PolarHBondContact O-N 3.31Å; D1071-L1073 PolarHBondContact O-N 2.96Å; L1073-R1075 PolarHBondContact O-N 2.91Å; L1073-T1076 PolarHBondContact O-N 3.22Å; L1073-Y1077 HydrophobicContact CB-CD2 4.31Å; L1073-Y1077 HydrophobicContact CB-CE2 4.05Å; L1073-Y1077 HydrophobicContact CD2-CE2 4.13Å; L1073-Y1077 WeakPolarHBondContact O-CD2 3.32Å; L1073-Y1077 PolarHBondContact O-N 3.37Å
1074A89.1Confident83.4Confident0 Ų034.2 Ų34.20%015%0.149CC..Hα-helixtrans-59.4-47178.500000111.7Y1070 D1071 L1072 Y1077 A1078 A1086 N1089 E1090Y1070-A1074 WeakPolarHBondContact O-CB 3.13Å; Y1070-A1074 PolarHBondContact O-N 3.49Å; D1071-A1074 WeakPolarHBondContact O-CB 3.33Å; D1071-A1074 PolarHBondContact O-N 3.24Å; D1071-A1074 VanDerWaalsContact O-N 3.14Å; L1072-A1074 VanDerWaalsContact C-N 3.35Å; A1074-Y1077 PolarHBondContact O-N 3.13Å; A1074-A1078 WeakPolarHBondContact O-CB 3.2Å; A1074-A1078 PolarHBondContact O-N 3.35Å; A1074-A1086 WeakPolarHBondContact CB-O 3.27Å; A1074-A1086 WeakPolarHBondContact O-CB 3.28Å; A1074-N1089 HydrophobicContact CB-CB 4.02Å; A1074-E1090 HydrophobicContact CB-CB 3.93Å
1075R84.9Confident84.2Confident82 Ų8233.7 Ų33.731%0.30915%0.149SC..Hα-helixtrans-59.4-45.8174.4-66.2173.3-163-162.42.5112.3Y1036 D1071 L1073 Y1077 A1078 C1079 Y1114Y1036-R1075 HydrophobicContact CE2-CB 4.44Å; D1071-R1075 WeakPolarHBondContact O-CG 3.33Å; D1071-R1075 PolarHBondContact O-N 2.78Å; D1071-R1075 IonicContact OD1-CZ 3.04Å; D1071-R1075 IonicContact OD1-NE 2.72Å; D1071-R1075 PolarHBondContact OD1-NE 3.04Å; D1071-R1075 IonicContact OD1-NH2 3.82Å; D1071-R1075 PolarHBondContact OD1-NH2 3.17Å; D1071-R1075 IonicContact OD2-CZ 3.44Å; D1071-R1075 IonicContact OD2-NE 3.68Å; D1071-R1075 IonicContact OD2-NH2 3.55Å; D1071-R1075 PolarHBondContact OD2-NH2 3.19Å; L1073-R1075 PolarHBondContact O-N 2.91Å; R1075-Y1077 PolarHBondContact O-N 2.9Å; R1075-A1078 WeakPolarHBondContact O-CB 3.46Å; R1075-A1078 PolarHBondContact O-N 2.87Å; R1075-C1079 PolarHBondContact O-N 3.5Å; R1075-C1079 PolarHBondContact O-SG 3.48Å; R1075-C1079 VanDerWaalsContact O-SG 3.4Å; R1075-Y1114 WeakPolarHBondContact CA-OH 3.49Å; R1075-Y1114 HydrophobicContact CG-CE1 3.78Å
1076T85.8Confident85.2Confident1 Ų133 Ų331%0.00615%0.146CC..Hα-helixtrans-65.7-39.9179.6-50.60000112Y1036 L1041 M1045 L1048 L1072 L1073 C1079 R1080Y1036-T1076 HydrophobicContact CD2-CG2 4.31Å; L1041-T1076 HydrophobicContact CB-CG2 4.35Å; L1041-T1076 HydrophobicContact CD2-CG2 4.09Å; M1045-T1076 HydrophobicContact CG-CG2 3.48Å; M1045-T1076 VanDerWaalsContact CG-CG2 3.48Å; L1048-T1076 HydrophobicContact CD1-CG2 4.3Å; L1048-T1076 VanDerWaalsContact CD1-OG1 3.24Å; L1048-T1076 WeakPolarHBondContact CD1-OG1 3.05Å; L1072-T1076 WeakPolarHBondContact O-CB 3.43Å; L1072-T1076 PolarHBondContact O-N 3.07Å; L1072-T1076 PolarHBondContact O-OG1 2.81Å; L1073-T1076 PolarHBondContact O-N 3.22Å; T1076-C1079 PolarHBondContact O-N 2.88Å; T1076-R1080 PolarHBondContact O-N 3.48Å; T1076-R1080 VanDerWaalsContact O-N 3.14Å
1077Y90.3Very high86Confident19 Ų1934.5 Ų34.58%0.07515%0.154CC..Hα-helixtrans-65.9-38.2172.8-73.2-57.7000112.5M1045 R1049 L1073 A1074 R1075 R1080 N1081 D1082 N1089M1045-Y1077 HydrophobicContact SD-CD1 3.88Å; M1045-Y1077 HydrophobicContact SD-CE1 3.66Å; R1049-Y1077 PolarHBondContact NE-OH 2.98Å; R1049-Y1077 VanDerWaalsContact NE-OH 3.08Å; R1049-Y1077 PolarHBondContact NH2-OH 3.05Å; L1073-Y1077 HydrophobicContact CB-CD2 4.31Å; L1073-Y1077 HydrophobicContact CB-CE2 4.05Å; L1073-Y1077 HydrophobicContact CD2-CE2 4.13Å; L1073-Y1077 WeakPolarHBondContact O-CD2 3.32Å; L1073-Y1077 PolarHBondContact O-N 3.37Å; A1074-Y1077 PolarHBondContact O-N 3.13Å; R1075-Y1077 PolarHBondContact O-N 2.9Å; Y1077-R1080 CarbonylContact O-C 3.57Å; Y1077-R1080 WeakPolarHBondContact O-CA 3.41Å; Y1077-R1080 WeakPolarHBondContact O-CB 3.44Å; Y1077-R1080 PolarHBondContact O-N 3.09Å; Y1077-R1080 VanDerWaalsContact O-N 3.12Å; Y1077-N1081 PolarHBondContact O-N 3.27Å; Y1077-D1082 HydrophobicContact CD1-CB 4.31Å; Y1077-D1082 PolarHBondContact O-N 3.4Å; Y1077-N1089 WeakPolarHBondContact CD2-ND2 3.48Å; Y1077-N1089 VanDerWaalsContact CE2-ND2 3.29Å; Y1077-N1089 WeakPolarHBondContact CE2-ND2 3.28Å
1078A86.4Confident86.7Confident10 Ų1039.6 Ų39.68%0.08318%0.181CC..Hα-helixtrans-62.8-45.1176.100000111.5A1074 R1075 R1080 N1081 A1086 L1118A1074-A1078 WeakPolarHBondContact O-CB 3.2Å; A1074-A1078 PolarHBondContact O-N 3.35Å; R1075-A1078 WeakPolarHBondContact O-CB 3.46Å; R1075-A1078 PolarHBondContact O-N 2.87Å; A1078-R1080 PolarHBondContact O-N 3.3Å; A1078-N1081 WeakPolarHBondContact O-CA 3.19Å; A1078-N1081 PolarHBondContact O-N 3.04Å; A1078-A1086 HydrophobicContact CB-CB 4.13Å; A1078-L1118 HydrophobicContact CB-CD2 3.54Å
1079C83.8Confident87.5Confident14 Ų1439.5 Ų39.510%0.09518%0.18CC..Hα-helixtrans-61.6-27.2172.6-67.40000113.3Y1036 L1041 R1075 T1076 N1081 V1148Y1036-C1079 HydrophobicContact CE2-CB 4.25Å; Y1036-C1079 VanDerWaalsContact CE2-SG 3.56Å; Y1036-C1079 PolarHBondContact OH-SG 2.86Å; L1041-C1079 HydrophobicContact CD1-CB 3.72Å; L1041-C1079 HydrophobicContact CD2-CB 3.97Å; R1075-C1079 PolarHBondContact O-N 3.5Å; R1075-C1079 PolarHBondContact O-SG 3.48Å; R1075-C1079 VanDerWaalsContact O-SG 3.4Å; T1076-C1079 PolarHBondContact O-N 2.88Å; C1079-N1081 VanDerWaalsContact C-N 3.29Å; C1079-V1148 HydrophobicContact CB-CG1 3.61Å; C1079-V1148 WeakPolarHBondContact O-CG2 3.46Å; C1079-V1148 VanDerWaalsContact SG-CG1 3.55Å
1080R85.4Confident88.2Confident108 Ų10839.5 Ų39.541%0.40818%0.18SC..THydrogen-bonded Turntrans-81.7-3.1172.7-164.6175.8-17684.3-14113.7L1041 D1042 T1076 Y1077 A1078 D1082L1041-R1080 HydrophobicContact CD1-CB 4.45Å; D1042-R1080 IonicContact OD1-CZ 3.32Å; D1042-R1080 IonicContact OD1-NH1 3.61Å; D1042-R1080 PolarHBondContact OD1-NH1 3.43Å; D1042-R1080 IonicContact OD1-NH2 2.69Å; D1042-R1080 PolarHBondContact OD1-NH2 3.19Å; D1042-R1080 IonicContact OD2-CZ 3.41Å; D1042-R1080 IonicContact OD2-NH1 2.68Å; D1042-R1080 PolarHBondContact OD2-NH1 2.8Å; D1042-R1080 IonicContact OD2-NH2 3.48Å; D1042-R1080 PolarHBondContact OD2-NH2 2.83Å; T1076-R1080 PolarHBondContact O-N 3.48Å; T1076-R1080 VanDerWaalsContact O-N 3.14Å; Y1077-R1080 CarbonylContact O-C 3.57Å; Y1077-R1080 WeakPolarHBondContact O-CA 3.41Å; Y1077-R1080 WeakPolarHBondContact O-CB 3.44Å; Y1077-R1080 PolarHBondContact O-N 3.09Å; Y1077-R1080 VanDerWaalsContact O-N 3.12Å; A1078-R1080 PolarHBondContact O-N 3.3Å; R1080-D1082 PolarHBondContact O-N 3.36Å
1081N81.8Confident88.5Confident60 Ų6043.3 Ų43.332%0.32120%0.197SC..THydrogen-bonded Turntrans6515.8-169.8-53.1-77.6000115.3Y1077 A1078 C1079 F1083 V1146Y1077-N1081 PolarHBondContact O-N 3.27Å; A1078-N1081 WeakPolarHBondContact O-CA 3.19Å; A1078-N1081 PolarHBondContact O-N 3.04Å; C1079-N1081 VanDerWaalsContact C-N 3.29Å; N1081-F1083 VanDerWaalsContact C-N 3.3Å; N1081-F1083 HydrophobicContact CB-CE2 4.09Å; N1081-F1083 WeakPolarHBondContact O-CD2 3.45Å; N1081-F1083 PolarHBondContact O-N 2.82Å; N1081-F1083 VanDerWaalsContact O-N 3.14Å; N1081-V1146 WeakPolarHBondContact OD1-CB 3.45Å; N1081-V1146 VanDerWaalsContact OD1-CG2 3.26Å; N1081-V1146 WeakPolarHBondContact OD1-CG2 3.3Å
1082D87.6Confident88.8Confident57 Ų5746.5 Ų46.531%0.30521%0.212SC..  trans-86.872.7169.3-175-0.8000110.4Y1077 R1080 R1084 S1085 A1086Y1077-D1082 HydrophobicContact CD1-CB 4.31Å; Y1077-D1082 PolarHBondContact O-N 3.4Å; R1080-D1082 PolarHBondContact O-N 3.36Å; D1082-R1084 PolarHBondContact O-N 2.85Å; D1082-R1084 PolarHBondContact OD1-N 2.61Å; D1082-S1085 VanDerWaalsContact CG-CB 3.49Å; D1082-S1085 PolarHBondContact O-N 2.8Å; D1082-S1085 PolarHBondContact OD1-N 3.22Å; D1082-S1085 PolarHBondContact OD1-OG 2.87Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.43Å; D1082-S1085 PolarHBondContact OD2-OG 2.77Å; D1082-A1086 WeakPolarHBondContact O-CB 3.36Å; D1082-A1086 PolarHBondContact O-N 3.37Å
1083F87Confident89.2Confident14 Ų1446.2 Ų46.26%0.06121%0.211CC..Hα-helixtrans-61.5-24.6177.9-68.2-81000113.4N1081 L1087 L1118 Q1121 A1122 L1125N1081-F1083 VanDerWaalsContact C-N 3.3Å; N1081-F1083 HydrophobicContact CB-CE2 4.09Å; N1081-F1083 WeakPolarHBondContact O-CD2 3.45Å; N1081-F1083 PolarHBondContact O-N 2.82Å; N1081-F1083 VanDerWaalsContact O-N 3.14Å; F1083-L1087 VanDerWaalsContact O-CB 3.31Å; F1083-L1087 WeakPolarHBondContact O-CB 3.36Å; F1083-L1087 WeakPolarHBondContact O-CD1 3.4Å; F1083-L1087 VanDerWaalsContact O-CG 3.22Å; F1083-L1087 WeakPolarHBondContact O-CG 3.35Å; F1083-L1087 PolarHBondContact O-N 2.69Å; F1083-L1118 HydrophobicContact CD1-CD2 4.38Å; F1083-L1118 HydrophobicContact CE1-CD2 4.42Å; F1083-Q1121 HydrophobicContact CD1-CB 4.27Å; F1083-Q1121 HydrophobicContact CE1-CB 3.56Å; F1083-Q1121 HydrophobicContact CZ-CB 4.09Å; F1083-A1122 HydrophobicContact CB-CB 3.73Å; F1083-A1122 HydrophobicContact CD1-CB 4.14Å; F1083-A1122 HydrophobicContact CG-CB 3.98Å; F1083-L1125 HydrophobicContact CD2-CD2 3.7Å; F1083-L1125 HydrophobicContact CE2-CD2 3.66Å
1084R90Very high89.4Confident218 Ų21848.2 Ų48.282%0.82322%0.219SC*.Hα-helixtrans-69.5-47.9178.3-177.2177.8179162.9-0.1110.8D1082 L1088D1082-R1084 PolarHBondContact O-N 2.85Å; D1082-R1084 PolarHBondContact OD1-N 2.61Å; R1084-L1088 PolarHBondContact O-N 3.19Å
1085S92.1Very high89.6Confident33 Ų3353.4 Ų53.423%0.23124%0.242CC..Hα-helixtrans-69-39.1173.6-63.90000111.6D1082 L1087 L1088 N1089D1082-S1085 VanDerWaalsContact CG-CB 3.49Å; D1082-S1085 PolarHBondContact O-N 2.8Å; D1082-S1085 PolarHBondContact OD1-N 3.22Å; D1082-S1085 PolarHBondContact OD1-OG 2.87Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.43Å; D1082-S1085 PolarHBondContact OD2-OG 2.77Å; S1085-L1087 PolarHBondContact O-N 2.97Å; S1085-L1088 PolarHBondContact O-N 3.2Å; S1085-N1089 PolarHBondContact O-N 3.21Å; S1085-N1089 VanDerWaalsContact O-N 3.08Å; S1085-N1089 PolarHBondContact O-ND2 2.98Å
1086A91.6Very high89.7Confident0 Ų049.7 Ų49.70%023%0.229CC..Hα-helixtrans-56.9-52.6176.900000111.9A1074 A1078 D1082 L1088 N1089 E1090 L1118A1074-A1086 WeakPolarHBondContact CB-O 3.27Å; A1074-A1086 WeakPolarHBondContact O-CB 3.28Å; A1078-A1086 HydrophobicContact CB-CB 4.13Å; D1082-A1086 WeakPolarHBondContact O-CB 3.36Å; D1082-A1086 PolarHBondContact O-N 3.37Å; A1086-L1088 VanDerWaalsContact C-N 3.27Å; A1086-L1088 PolarHBondContact O-N 3.36Å; A1086-N1089 PolarHBondContact O-N 2.83Å; A1086-E1090 WeakPolarHBondContact O-CB 3.27Å; A1086-E1090 PolarHBondContact O-N 3.08Å; A1086-L1118 HydrophobicContact CB-CD1 4.21Å; A1086-L1118 HydrophobicContact CB-CD2 4.25Å
1087L92.9Very high89.7Confident30 Ų3050.1 Ų50.116%0.15723%0.23CC..Hα-helixtrans-63.4-28.6178.6-72.6170.3000113.6F1083 S1085 K1091 L1115 L1118 T1119 A1122F1083-L1087 VanDerWaalsContact O-CB 3.31Å; F1083-L1087 WeakPolarHBondContact O-CB 3.36Å; F1083-L1087 WeakPolarHBondContact O-CD1 3.4Å; F1083-L1087 VanDerWaalsContact O-CG 3.22Å; F1083-L1087 WeakPolarHBondContact O-CG 3.35Å; F1083-L1087 PolarHBondContact O-N 2.69Å; S1085-L1087 PolarHBondContact O-N 2.97Å; L1087-K1091 WeakPolarHBondContact O-CB 3.42Å; L1087-K1091 WeakPolarHBondContact O-CD 3.42Å; L1087-K1091 WeakPolarHBondContact O-CG 3.22Å; L1087-K1091 PolarHBondContact O-N 3.22Å; L1087-L1115 HydrophobicContact CD2-CD1 3.81Å; L1087-L1118 HydrophobicContact CD2-CB 3.62Å; L1087-L1118 HydrophobicContact CG-CB 4.33Å; L1087-T1119 WeakPolarHBondContact CD2-OG1 3.46Å; L1087-A1122 HydrophobicContact CD1-CB 4.23Å
1088L94.5Very high89.8Confident107 Ų10753.4 Ų53.456%0.5625%0.245SC*.Hα-helixtrans-71.1-48176.3179.862.8000111.4R1084 S1085 A1086 Q1092R1084-L1088 PolarHBondContact O-N 3.19Å; S1085-L1088 PolarHBondContact O-N 3.2Å; A1086-L1088 VanDerWaalsContact C-N 3.27Å; A1086-L1088 PolarHBondContact O-N 3.36Å; L1088-Q1092 PolarHBondContact O-N 3Å
1089N92.8Very high89.9Confident19 Ų1958.6 Ų58.610%0.10227%0.265CS..Hα-helixtrans-68.2-42.4-179.5-67.1-79.7000110.6Y1070 A1074 Y1077 S1085 A1086 K1091 Q1092 T1093Y1070-N1089 HydrophobicContact CD1-CB 4.14Å; Y1070-N1089 VanDerWaalsContact CD1-OD1 3.26Å; Y1070-N1089 WeakPolarHBondContact CD1-OD1 3.33Å; A1074-N1089 HydrophobicContact CB-CB 4.02Å; Y1077-N1089 WeakPolarHBondContact CD2-ND2 3.48Å; Y1077-N1089 VanDerWaalsContact CE2-ND2 3.29Å; Y1077-N1089 WeakPolarHBondContact CE2-ND2 3.28Å; S1085-N1089 PolarHBondContact O-N 3.21Å; S1085-N1089 VanDerWaalsContact O-N 3.08Å; S1085-N1089 PolarHBondContact O-ND2 2.98Å; A1086-N1089 PolarHBondContact O-N 2.83Å; N1089-K1091 VanDerWaalsContact C-N 3.29Å; N1089-K1091 PolarHBondContact O-N 2.85Å; N1089-Q1092 WeakPolarHBondContact O-CA 3.42Å; N1089-Q1092 WeakPolarHBondContact O-CB 3.37Å; N1089-Q1092 PolarHBondContact O-N 3.21Å; N1089-T1093 PolarHBondContact O-N 3.39Å; N1089-T1093 PolarHBondContact O-OG1 3.08Å
1090E93.1Very high89.8Confident1 Ų161.6 Ų61.61%0.00528%0.28CS..Hα-helixtrans-65.8-29.9-180-168.454.7-156.500113.4A1074 A1086 Q1092 T1093 F1094 S1111 Y1114 L1115 L1118A1074-E1090 HydrophobicContact CB-CB 3.93Å; A1086-E1090 WeakPolarHBondContact O-CB 3.27Å; A1086-E1090 PolarHBondContact O-N 3.08Å; E1090-Q1092 VanDerWaalsContact C-N 3.3Å; E1090-Q1092 PolarHBondContact O-N 3.2Å; E1090-T1093 WeakPolarHBondContact O-CB 3.46Å; E1090-T1093 PolarHBondContact O-N 3.05Å; E1090-T1093 PolarHBondContact OE2-OG1 3.16Å; E1090-F1094 WeakPolarHBondContact O-CB 3.47Å; E1090-F1094 PolarHBondContact O-N 2.92Å; E1090-S1111 VanDerWaalsContact OE1-CA 3.27Å; E1090-S1111 WeakPolarHBondContact OE1-CA 3.39Å; E1090-S1111 VanDerWaalsContact OE1-CB 3.24Å; E1090-S1111 WeakPolarHBondContact OE1-CB 3.23Å; E1090-S1111 PolarHBondContact OE1-OG 2.78Å; E1090-Y1114 HydrophobicContact CG-CD1 4.01Å; E1090-L1115 HydrophobicContact CB-CD1 3.99Å; E1090-L1115 HydrophobicContact CG-CB 4.07Å; E1090-L1115 HydrophobicContact CG-CD1 3.98Å; E1090-L1118 HydrophobicContact CB-CD1 4Å; E1090-L1118 HydrophobicContact CG-CD1 4.15Å
1091K94.4Very high89.6Confident118 Ų11858.9 Ų58.951%0.51327%0.274SS..Hα-helixtrans-64.9-33170-77.2172.5-175.4-177.40112.8L1087 N1089 F1095 L1115L1087-K1091 WeakPolarHBondContact O-CB 3.42Å; L1087-K1091 WeakPolarHBondContact O-CD 3.42Å; L1087-K1091 WeakPolarHBondContact O-CG 3.22Å; L1087-K1091 PolarHBondContact O-N 3.22Å; N1089-K1091 VanDerWaalsContact C-N 3.29Å; N1089-K1091 PolarHBondContact O-N 2.85Å; K1091-F1095 VanDerWaalsContact O-CB 3.31Å; K1091-F1095 WeakPolarHBondContact O-CB 3.48Å; K1091-F1095 PolarHBondContact O-N 2.93Å; K1091-L1115 HydrophobicContact CG-CD1 3.83Å; K1091-L1115 HydrophobicContact CG-CD2 4.1Å
1092Q92.5Very high89.7Confident78 Ų7857.5 Ų57.536%0.36427%0.273SS..Hα-helixtrans-72.6-43.4173.8-59.1-58.9-29.200110.8Y1070 L1088 N1089 E1090 F1094 F1095 I1096Y1070-Q1092 HydrophobicContact CD1-CB 4.4Å; Y1070-Q1092 HydrophobicContact CD2-CB 3.89Å; Y1070-Q1092 HydrophobicContact CE2-CB 4.07Å; Y1070-Q1092 HydrophobicContact CG-CB 4.06Å; L1088-Q1092 PolarHBondContact O-N 3Å; N1089-Q1092 WeakPolarHBondContact O-CA 3.42Å; N1089-Q1092 WeakPolarHBondContact O-CB 3.37Å; N1089-Q1092 PolarHBondContact O-N 3.21Å; E1090-Q1092 VanDerWaalsContact C-N 3.3Å; E1090-Q1092 PolarHBondContact O-N 3.2Å; Q1092-F1094 PolarHBondContact O-N 3.28Å; Q1092-F1095 PolarHBondContact O-N 3.22Å; Q1092-I1096 WeakPolarHBondContact O-CD1 3.24Å; Q1092-I1096 VanDerWaalsContact O-CG1 3.28Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.47Å; Q1092-I1096 PolarHBondContact O-N 3.48Å
1093T89.2Confident89.5Confident0 Ų060.4 Ų60.40%029%0.285CS..Hα-helixtrans-49.7-56.8170.8-520000111.1Y1070 D1071 N1089 E1090 F1095 I1096 Y1097Y1070-T1093 WeakPolarHBondContact CB-OG1 3.42Å; D1071-T1093 HydrophobicContact CB-CG2 3.78Å; D1071-T1093 PolarHBondContact N-OG1 2.89Å; D1071-T1093 VanDerWaalsContact N-OG1 3.11Å; N1089-T1093 PolarHBondContact O-N 3.39Å; N1089-T1093 PolarHBondContact O-OG1 3.08Å; E1090-T1093 WeakPolarHBondContact O-CB 3.46Å; E1090-T1093 PolarHBondContact O-N 3.05Å; E1090-T1093 PolarHBondContact OE2-OG1 3.16Å; T1093-F1095 PolarHBondContact O-N 3.26Å; T1093-I1096 PolarHBondContact O-N 2.84Å; T1093-Y1097 HydrophobicContact CG2-CD2 3.73Å; T1093-Y1097 HydrophobicContact CG2-CE2 3.33Å; T1093-Y1097 PolarHBondContact O-N 3.16Å
1094F92.5Very high89.4Confident44 Ų4466.3 Ų66.319%0.19332%0.317CS..Hα-helixtrans-60.8-42.2-179.3178.1-105.9000112.3E1090 Q1092 K1098 T1108 S1111 Q1112E1090-F1094 WeakPolarHBondContact O-CB 3.47Å; E1090-F1094 PolarHBondContact O-N 2.92Å; Q1092-F1094 PolarHBondContact O-N 3.28Å; F1094-K1098 HydrophobicContact CE1-CD 3.99Å; F1094-K1098 HydrophobicContact CZ-CD 3.96Å; F1094-K1098 WeakPolarHBondContact O-CB 3.19Å; F1094-K1098 PolarHBondContact O-N 3.3Å; F1094-T1108 HydrophobicContact CD2-CG2 4.12Å; F1094-T1108 HydrophobicContact CE2-CG2 3.68Å; F1094-S1111 WeakPolarHBondContact CA-OG 3.45Å; F1094-S1111 WeakPolarHBondContact CB-OG 3.3Å; F1094-S1111 PolarHBondContact N-OG 3.15Å; F1094-Q1112 HydrophobicContact CD2-CB 4.05Å; F1094-Q1112 HydrophobicContact CE2-CB 3.72Å; F1094-Q1112 HydrophobicContact CE2-CG 4.12Å
1095F93.1Very high88.8Confident109 Ų10957 Ų5748%0.47828%0.284SS..Hα-helixtrans-60.4-46.5177.4177.3-98.3000112K1091 Q1092 T1093 K1099K1091-F1095 VanDerWaalsContact O-CB 3.31Å; K1091-F1095 WeakPolarHBondContact O-CB 3.48Å; K1091-F1095 PolarHBondContact O-N 2.93Å; Q1092-F1095 PolarHBondContact O-N 3.22Å; T1093-F1095 PolarHBondContact O-N 3.26Å; F1095-K1099 WeakPolarHBondContact O-CB 3.3Å; F1095-K1099 PolarHBondContact O-N 3.18Å
1096I86.8Confident88.1Confident4 Ų457.9 Ų57.92%0.02128%0.284CS..Hα-helixtrans-68.4-45-179.4-60.3159.6000110.8N1061 A1067 Y1070 Q1092 T1093 K1099 L1100N1061-I1096 WeakPolarHBondContact O-CD1 3.18Å; A1067-I1096 HydrophobicContact CB-CB 3.84Å; A1067-I1096 HydrophobicContact CB-CD1 4.03Å; A1067-I1096 HydrophobicContact CB-CG2 3.76Å; Y1070-I1096 HydrophobicContact CD2-CD1 3.99Å; Y1070-I1096 HydrophobicContact CE2-CD1 4.22Å; Q1092-I1096 WeakPolarHBondContact O-CD1 3.24Å; Q1092-I1096 VanDerWaalsContact O-CG1 3.28Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.47Å; Q1092-I1096 PolarHBondContact O-N 3.48Å; T1093-I1096 PolarHBondContact O-N 2.84Å; I1096-K1099 PolarHBondContact O-N 2.84Å; I1096-L1100 HydrophobicContact CG2-CD1 3.6Å; I1096-L1100 HydrophobicContact CG2-CG 4.15Å; I1096-L1100 WeakPolarHBondContact O-CB 3.37Å; I1096-L1100 WeakPolarHBondContact O-CG 3.45Å; I1096-L1100 PolarHBondContact O-N 3.41Å
1097Y86.7Confident87.2Confident9 Ų962 Ų624%0.03530%0.3CS..Hα-helixtrans-63.2-45176.2-69.9-29.1000112.3L1064 A1067 L1068 T1093 K1099 L1100 L1101 G1102 R1107 T1108L1064-Y1097 HydrophobicContact CD2-CD1 4Å; L1064-Y1097 HydrophobicContact CD2-CE1 4.12Å; A1067-Y1097 HydrophobicContact CB-CD1 3.96Å; A1067-Y1097 HydrophobicContact CB-CE1 3.59Å; L1068-Y1097 WeakPolarHBondContact CD2-OH 3.35Å; L1068-Y1097 WeakPolarHBondContact CG-OH 3.49Å; T1093-Y1097 HydrophobicContact CG2-CD2 3.73Å; T1093-Y1097 HydrophobicContact CG2-CE2 3.33Å; T1093-Y1097 PolarHBondContact O-N 3.16Å; Y1097-K1099 PolarHBondContact O-N 3.49Å; Y1097-L1100 PolarHBondContact O-N 3.31Å; Y1097-L1101 HydrophobicContact CD1-CD1 3.79Å; Y1097-L1101 HydrophobicContact CE1-CD1 4.45Å; Y1097-L1101 HydrophobicContact CG-CD1 4.26Å; Y1097-L1101 WeakPolarHBondContact O-CA 3.34Å; Y1097-L1101 VanDerWaalsContact O-CB 3.32Å; Y1097-L1101 WeakPolarHBondContact O-CB 3.41Å; Y1097-L1101 PolarHBondContact O-N 2.88Å; Y1097-G1102 PolarHBondContact O-N 2.92Å; Y1097-R1107 HydrophobicContact CD2-CB 4.26Å; Y1097-R1107 HydrophobicContact CE2-CB 4.3Å; Y1097-R1107 HydrophobicContact CG-CB 4.46Å; Y1097-T1108 PolarHBondContact O-OG1 2.9Å
1098K91Very high86.8Confident89 Ų8960.6 Ų60.639%0.38729%0.292SS..Hα-helixtrans-58.3-36.2175.1175.8165.9167.91580112.1F1094 G1102 E1103 T1108F1094-K1098 HydrophobicContact CE1-CD 3.99Å; F1094-K1098 HydrophobicContact CZ-CD 3.96Å; F1094-K1098 WeakPolarHBondContact O-CB 3.19Å; F1094-K1098 PolarHBondContact O-N 3.3Å; K1098-G1102 WeakPolarHBondContact O-CA 3.43Å; K1098-G1102 PolarHBondContact O-N 3.48Å; K1098-E1103 HydrophobicContact CD-CG 4.17Å; K1098-E1103 WeakPolarHBondContact CE-OE1 3.45Å; K1098-E1103 HydrophobicContact CG-CG 4.11Å; K1098-E1103 IonicContact NZ-OE1 3.7Å; K1098-E1103 PolarHBondContact NZ-OE1 3.35Å; K1098-T1108 HydrophobicContact CB-CG2 3.97Å
1099K90Very high86.5Confident118 Ų11860 Ų6051%0.51329%0.285SS..Hα-helixtrans-74.9-44.3178.1-166.3-179.5-171.6-173.30113.4E1062 F1095 I1096 Y1097E1062-K1099 WeakPolarHBondContact OE1-CD 3.47Å; E1062-K1099 IonicContact OE1-NZ 2.77Å; E1062-K1099 PolarHBondContact OE1-NZ 2.99Å; E1062-K1099 IonicContact OE2-NZ 3.35Å; E1062-K1099 PolarHBondContact OE2-NZ 3.01Å; F1095-K1099 WeakPolarHBondContact O-CB 3.3Å; F1095-K1099 PolarHBondContact O-N 3.18Å; I1096-K1099 PolarHBondContact O-N 2.84Å; Y1097-K1099 PolarHBondContact O-N 3.49Å
1100L81Confident86.1Confident78 Ų7861.1 Ų61.141%0.40830%0.297SS..Hα-helixtrans-89.1-33.5-173-64.6-180000114.2L1064 I1096 Y1097L1064-L1100 HydrophobicContact CD2-CB 4.27Å; L1064-L1100 HydrophobicContact CD2-CD1 3.92Å; L1064-L1100 HydrophobicContact CG-CD1 4.05Å; I1096-L1100 HydrophobicContact CG2-CD1 3.6Å; I1096-L1100 HydrophobicContact CG2-CG 4.15Å; I1096-L1100 WeakPolarHBondContact O-CB 3.37Å; I1096-L1100 WeakPolarHBondContact O-CG 3.45Å; I1096-L1100 PolarHBondContact O-N 3.41Å; Y1097-L1100 PolarHBondContact O-N 3.31Å
1101L80.5Confident85.8Confident51 Ų5161.4 Ų61.427%0.26730%0.299SS..THydrogen-bonded Turntrans-111.7-12.6-172.4-57.8176.9000113.2L1064 Y1097 N1105 R1107L1064-L1101 HydrophobicContact CD1-CD2 4.42Å; L1064-L1101 HydrophobicContact CD2-CD1 3.93Å; L1064-L1101 HydrophobicContact CD2-CD2 3.98Å; L1064-L1101 HydrophobicContact CD2-CG 3.91Å; Y1097-L1101 HydrophobicContact CD1-CD1 3.79Å; Y1097-L1101 HydrophobicContact CE1-CD1 4.45Å; Y1097-L1101 HydrophobicContact CG-CD1 4.26Å; Y1097-L1101 WeakPolarHBondContact O-CA 3.34Å; Y1097-L1101 VanDerWaalsContact O-CB 3.32Å; Y1097-L1101 WeakPolarHBondContact O-CB 3.41Å; Y1097-L1101 PolarHBondContact O-N 2.88Å; L1101-N1105 HydrophobicContact CB-CB 3.72Å; L1101-N1105 WeakPolarHBondContact O-CB 3.45Å; L1101-R1107 HydrophobicContact CD1-CB 3.92Å; L1101-R1107 HydrophobicContact CD1-CG 4.4Å
1102G83.7Confident85.7Confident30 Ų3060 Ų6031%0.30929%0.294SS..  trans77.4170.3-17400000114Y1097 K1098 N1104 T1108Y1097-G1102 PolarHBondContact O-N 2.92Å; K1098-G1102 WeakPolarHBondContact O-CA 3.43Å; K1098-G1102 PolarHBondContact O-N 3.48Å; G1102-N1104 VanDerWaalsContact C-N 3.34Å; G1102-N1104 PolarHBondContact O-N 3.41Å; G1102-T1108 WeakPolarHBondContact O-CB 3.46Å; G1102-T1108 PolarHBondContact O-OG1 3.27Å
1103E84.8Confident85.6Confident119 Ų11961.6 Ų61.656%0.55630%0.302SS*.THydrogen-bonded Turntrans-70.4-27.9-176.1-61.9-173.3151.700113.6K1098 N1105K1098-E1103 HydrophobicContact CD-CG 4.17Å; K1098-E1103 WeakPolarHBondContact CE-OE1 3.45Å; K1098-E1103 HydrophobicContact CG-CG 4.11Å; K1098-E1103 IonicContact NZ-OE1 3.7Å; K1098-E1103 PolarHBondContact NZ-OE1 3.35Å; E1103-N1105 VanDerWaalsContact C-N 3.34Å; E1103-N1105 PolarHBondContact O-N 2.85Å
1104N83.3Confident85.6Confident138 Ų13863.8 Ų63.874%0.73831%0.311SS*.THydrogen-bonded Turntrans-79.2-15.7-175.4-74.3-28.5000114G1102 K1109G1102-N1104 VanDerWaalsContact C-N 3.34Å; G1102-N1104 PolarHBondContact O-N 3.41Å; N1104-K1109 VanDerWaalsContact O-CE 3.28Å; N1104-K1109 WeakPolarHBondContact O-CE 3.22Å; N1104-K1109 PolarHBondContact O-NZ 2.95Å
1105N77.9Confident85.5Confident23 Ų2363.1 Ų63.112%0.12331%0.309CS..SBendtrans-68.2140.5-177.1-169.8-66.5000112P498 L1101 E1103 R1107 T1108 K1109P498-N1105 WeakPolarHBondContact CB-ND2 3.45Å; P498-N1105 WeakPolarHBondContact CG-ND2 3.4Å; L1101-N1105 HydrophobicContact CB-CB 3.72Å; L1101-N1105 WeakPolarHBondContact O-CB 3.45Å; E1103-N1105 VanDerWaalsContact C-N 3.34Å; E1103-N1105 PolarHBondContact O-N 2.85Å; N1105-R1107 VanDerWaalsContact C-N 3.27Å; N1105-R1107 PolarHBondContact O-N 3.45Å; N1105-R1107 WeakPolarHBondContact OD1-CB 3.22Å; N1105-R1107 PolarHBondContact OD1-N 2.98Å; N1105-T1108 WeakPolarHBondContact O-CB 3.35Å; N1105-T1108 PolarHBondContact O-N 3.11Å; N1105-T1108 VanDerWaalsContact O-N 3.11Å; N1105-K1109 PolarHBondContact O-N 2.69Å
1106E78.2Confident85.4Confident51 Ų5163.1 Ų63.124%0.23831%0.31CS..Hα-helixtrans-56.1-38.5179.8-61.1-177.4151.800112.7S495 M496 E497 P498 K1109 A1110S495-E1106 WeakPolarHBondContact CA-OE2 3.36Å; M496-E1106 PolarHBondContact N-OE2 2.8Å; E497-E1106 PolarHBondContact N-OE2 3Å; P498-E1106 WeakPolarHBondContact CD-OE2 3.48Å; E1106-K1109 PolarHBondContact O-N 2.98Å; E1106-A1110 VanDerWaalsContact O-CB 3.28Å; E1106-A1110 WeakPolarHBondContact O-CB 3.37Å; E1106-A1110 PolarHBondContact O-N 3.36Å
1107R72.1Confident85.4Confident86 Ų8667.6 Ų67.633%0.32533%0.331SS..Hα-helixtrans-66.3-39177.7-63.2-66.9175.9178.8-7.1112.3M496 Y1097 L1101 N1105 S1111M496-R1107 PolarHBondContact SD-NH2 3.15Å; Y1097-R1107 HydrophobicContact CD2-CB 4.26Å; Y1097-R1107 HydrophobicContact CE2-CB 4.3Å; Y1097-R1107 HydrophobicContact CG-CB 4.46Å; L1101-R1107 HydrophobicContact CD1-CB 3.92Å; L1101-R1107 HydrophobicContact CD1-CG 4.4Å; N1105-R1107 VanDerWaalsContact C-N 3.27Å; N1105-R1107 PolarHBondContact O-N 3.45Å; N1105-R1107 WeakPolarHBondContact OD1-CB 3.22Å; N1105-R1107 PolarHBondContact OD1-N 2.98Å; R1107-S1111 WeakPolarHBondContact O-CB 3.24Å; R1107-S1111 PolarHBondContact O-N 3.49Å
1108T84.6Confident85.5Confident0 Ų067.2 Ų67.20%033%0.329CS..Hα-helixtrans-65.3-43.1175.1-49.60000110.9F1094 Y1097 K1098 G1102 N1105 Q1112F1094-T1108 HydrophobicContact CD2-CG2 4.12Å; F1094-T1108 HydrophobicContact CE2-CG2 3.68Å; Y1097-T1108 PolarHBondContact O-OG1 2.9Å; K1098-T1108 HydrophobicContact CB-CG2 3.97Å; G1102-T1108 WeakPolarHBondContact O-CB 3.46Å; G1102-T1108 PolarHBondContact O-OG1 3.27Å; N1105-T1108 WeakPolarHBondContact O-CB 3.35Å; N1105-T1108 PolarHBondContact O-N 3.11Å; N1105-T1108 VanDerWaalsContact O-N 3.11Å; T1108-Q1112 WeakPolarHBondContact O-CB 3.48Å; T1108-Q1112 PolarHBondContact O-N 2.96Å
1109K88.6Confident85.4Confident95 Ų9566 Ų6641%0.41333%0.329SS..Hα-helixtrans-65.9-44.5176.3-71.2168.5175.5161.70112.6N1104 N1105 E1106 Q1112 Q1113N1104-K1109 VanDerWaalsContact O-CE 3.28Å; N1104-K1109 WeakPolarHBondContact O-CE 3.22Å; N1104-K1109 PolarHBondContact O-NZ 2.95Å; N1105-K1109 PolarHBondContact O-N 2.69Å; E1106-K1109 PolarHBondContact O-N 2.98Å; K1109-Q1112 WeakPolarHBondContact O-CB 3.23Å; K1109-Q1112 PolarHBondContact O-N 2.81Å; K1109-Q1113 WeakPolarHBondContact O-CG 3.37Å; K1109-Q1113 PolarHBondContact O-N 3.08Å
1110A85.1Confident85.3Confident43 Ų4366.1 Ų66.136%0.35533%0.332SS..Hα-helixtrans-61.8-44.4177.300000111.5E1106 Q1113 Y1114E1106-A1110 VanDerWaalsContact O-CB 3.28Å; E1106-A1110 WeakPolarHBondContact O-CB 3.37Å; E1106-A1110 PolarHBondContact O-N 3.36Å; A1110-Q1113 PolarHBondContact O-N 3.29Å; A1110-Y1114 WeakPolarHBondContact O-CB 3.47Å; A1110-Y1114 PolarHBondContact O-N 3.48Å
1111S86.8Confident85.5Confident6 Ų665.9 Ų65.94%0.04233%0.329CS..Hα-helixtrans-62.2-40.8173.4177.50000112.1E1090 F1094 R1107 Y1114 L1115E1090-S1111 VanDerWaalsContact OE1-CA 3.27Å; E1090-S1111 WeakPolarHBondContact OE1-CA 3.39Å; E1090-S1111 VanDerWaalsContact OE1-CB 3.24Å; E1090-S1111 WeakPolarHBondContact OE1-CB 3.23Å; E1090-S1111 PolarHBondContact OE1-OG 2.78Å; F1094-S1111 WeakPolarHBondContact CA-OG 3.45Å; F1094-S1111 WeakPolarHBondContact CB-OG 3.3Å; F1094-S1111 PolarHBondContact N-OG 3.15Å; R1107-S1111 WeakPolarHBondContact O-CB 3.24Å; R1107-S1111 PolarHBondContact O-N 3.49Å; S1111-Y1114 PolarHBondContact O-N 3.13Å; S1111-L1115 WeakPolarHBondContact O-CB 3.38Å; S1111-L1115 PolarHBondContact O-N 2.6Å
1112Q91.9Very high85.7Confident88 Ų8864.5 Ų64.541%0.41133%0.325SS..Hα-helixtrans-62.4-44.6174.7-170.1178.7-1.400112.8F1094 T1108 K1109 L1115 Q1116F1094-Q1112 HydrophobicContact CD2-CB 4.05Å; F1094-Q1112 HydrophobicContact CE2-CB 3.72Å; F1094-Q1112 HydrophobicContact CE2-CG 4.12Å; T1108-Q1112 WeakPolarHBondContact O-CB 3.48Å; T1108-Q1112 PolarHBondContact O-N 2.96Å; K1109-Q1112 WeakPolarHBondContact O-CB 3.23Å; K1109-Q1112 PolarHBondContact O-N 2.81Å; Q1112-L1115 PolarHBondContact O-N 2.94Å; Q1112-Q1116 WeakPolarHBondContact O-CG 3.25Å; Q1112-Q1116 PolarHBondContact O-N 3.47Å; Q1112-Q1116 VanDerWaalsContact O-N 3.11Å
1113Q90.4Very high86Confident113 Ų11366.1 Ų66.153%0.52833%0.328SS..Hα-helixtrans-64.5-43175.9-72.1172-6.200111.1K1109 A1110 L1115 Q1116 Q1117K1109-Q1113 WeakPolarHBondContact O-CG 3.37Å; K1109-Q1113 PolarHBondContact O-N 3.08Å; A1110-Q1113 PolarHBondContact O-N 3.29Å; Q1113-L1115 VanDerWaalsContact C-N 3.35Å; Q1113-L1115 PolarHBondContact O-N 2.74Å; Q1113-Q1116 WeakPolarHBondContact O-CB 3.36Å; Q1113-Q1116 PolarHBondContact O-N 2.87Å; Q1113-Q1117 WeakPolarHBondContact O-CG 3.28Å; Q1113-Q1117 PolarHBondContact O-N 2.87Å
1114Y87.9Confident85.9Confident46 Ų4667.2 Ų67.218%0.1833%0.327CS..Hα-helixtrans-65-38.7177.5-171.1-124.6000111.9R1075 E1090 A1110 S1111 Q1116 Q1117 L1118R1075-Y1114 WeakPolarHBondContact CA-OH 3.49Å; R1075-Y1114 HydrophobicContact CG-CE1 3.78Å; E1090-Y1114 HydrophobicContact CG-CD1 4.01Å; A1110-Y1114 WeakPolarHBondContact O-CB 3.47Å; A1110-Y1114 PolarHBondContact O-N 3.48Å; S1111-Y1114 PolarHBondContact O-N 3.13Å; Y1114-Q1116 VanDerWaalsContact C-N 3.32Å; Y1114-Q1116 PolarHBondContact O-N 3.19Å; Y1114-Q1117 PolarHBondContact O-N 2.77Å; Y1114-L1118 HydrophobicContact CD1-CD1 3.97Å; Y1114-L1118 HydrophobicContact CD1-CG 4.37Å; Y1114-L1118 HydrophobicContact CE1-CD1 3.63Å; Y1114-L1118 HydrophobicContact CE1-CD2 4.37Å; Y1114-L1118 HydrophobicContact CE1-CG 4.03Å; Y1114-L1118 HydrophobicContact CE2-CD2 4.27Å; Y1114-L1118 HydrophobicContact CE2-CG 4.18Å; Y1114-L1118 WeakPolarHBondContact O-CB 3.5Å; Y1114-L1118 WeakPolarHBondContact O-CG 3.27Å; Y1114-L1118 PolarHBondContact O-N 2.85Å
1115L91Very high85.7Confident30 Ų3062.2 Ų62.216%0.15730%0.301CS..Hα-helixtrans-61.9-37.2173.2-172.768.7000112.5L1087 E1090 K1091 S1111 Q1112 Q1113 T1119L1087-L1115 HydrophobicContact CD2-CD1 3.81Å; E1090-L1115 HydrophobicContact CB-CD1 3.99Å; E1090-L1115 HydrophobicContact CG-CB 4.07Å; E1090-L1115 HydrophobicContact CG-CD1 3.98Å; K1091-L1115 HydrophobicContact CG-CD1 3.83Å; K1091-L1115 HydrophobicContact CG-CD2 4.1Å; S1111-L1115 WeakPolarHBondContact O-CB 3.38Å; S1111-L1115 PolarHBondContact O-N 2.6Å; Q1112-L1115 PolarHBondContact O-N 2.94Å; Q1113-L1115 VanDerWaalsContact C-N 3.35Å; Q1113-L1115 PolarHBondContact O-N 2.74Å; L1115-T1119 WeakPolarHBondContact O-CB 3.28Å; L1115-T1119 PolarHBondContact O-N 3.39Å; L1115-T1119 VanDerWaalsContact O-N 3.11Å; L1115-T1119 PolarHBondContact O-OG1 2.8Å
1116Q90.5Very high86Confident109 Ų10965.6 Ų65.651%0.50932%0.316SS..Hα-helixtrans-64.9-50.1172.2-70.4169.9-7.300110.9Q1112 Q1113 Y1114 L1118 T1119 E1120Q1112-Q1116 WeakPolarHBondContact O-CG 3.25Å; Q1112-Q1116 PolarHBondContact O-N 3.47Å; Q1112-Q1116 VanDerWaalsContact O-N 3.11Å; Q1113-Q1116 WeakPolarHBondContact O-CB 3.36Å; Q1113-Q1116 PolarHBondContact O-N 2.87Å; Y1114-Q1116 VanDerWaalsContact C-N 3.32Å; Y1114-Q1116 PolarHBondContact O-N 3.19Å; Q1116-L1118 PolarHBondContact O-N 3.22Å; Q1116-T1119 WeakPolarHBondContact O-CB 3.2Å; Q1116-T1119 PolarHBondContact O-N 2.96Å; Q1116-E1120 PolarHBondContact O-N 3.43Å
1117Q88.3Confident86.3Confident98 Ų9871.6 Ų71.646%0.45834%0.336SS..Hα-helixtrans-57.5-46177.9-68.6171.312.900112.3Q1113 Y1114 T1119 E1120 Q1121Q1113-Q1117 WeakPolarHBondContact O-CG 3.28Å; Q1113-Q1117 PolarHBondContact O-N 2.87Å; Y1114-Q1117 PolarHBondContact O-N 2.77Å; Q1117-T1119 VanDerWaalsContact C-N 3.29Å; Q1117-T1119 PolarHBondContact O-N 3.13Å; Q1117-E1120 PolarHBondContact O-N 2.78Å; Q1117-Q1121 WeakPolarHBondContact O-CB 3Å; Q1117-Q1121 VanDerWaalsContact O-CG 3.27Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.49Å; Q1117-Q1121 PolarHBondContact O-N 3Å
1118L87.8Confident86.5Confident0 Ų074.1 Ų74.10%035%0.346CS..Hα-helixtrans-60.1-39174.8-75177.7000112.1A1078 F1083 A1086 L1087 E1090 Y1114 Q1116 A1122A1078-L1118 HydrophobicContact CB-CD2 3.54Å; F1083-L1118 HydrophobicContact CD1-CD2 4.38Å; F1083-L1118 HydrophobicContact CE1-CD2 4.42Å; A1086-L1118 HydrophobicContact CB-CD1 4.21Å; A1086-L1118 HydrophobicContact CB-CD2 4.25Å; L1087-L1118 HydrophobicContact CD2-CB 3.62Å; L1087-L1118 HydrophobicContact CG-CB 4.33Å; E1090-L1118 HydrophobicContact CB-CD1 4Å; E1090-L1118 HydrophobicContact CG-CD1 4.15Å; Y1114-L1118 HydrophobicContact CD1-CD1 3.97Å; Y1114-L1118 HydrophobicContact CD1-CG 4.37Å; Y1114-L1118 HydrophobicContact CE1-CD1 3.63Å; Y1114-L1118 HydrophobicContact CE1-CD2 4.37Å; Y1114-L1118 HydrophobicContact CE1-CG 4.03Å; Y1114-L1118 HydrophobicContact CE2-CD2 4.27Å; Y1114-L1118 HydrophobicContact CE2-CG 4.18Å; Y1114-L1118 WeakPolarHBondContact O-CB 3.5Å; Y1114-L1118 WeakPolarHBondContact O-CG 3.27Å; Y1114-L1118 PolarHBondContact O-N 2.85Å; Q1116-L1118 PolarHBondContact O-N 3.22Å; L1118-A1122 VanDerWaalsContact O-CB 3.27Å; L1118-A1122 WeakPolarHBondContact O-CB 3.36Å; L1118-A1122 PolarHBondContact O-N 3.36Å
1119T89.5Confident86.2Confident63 Ų6377.5 Ų77.539%0.38736%0.362SS..Hα-helixtrans-68-43.5178.4-57.20000110.8L1087 L1115 Q1116 Q1117 A1122 V1123L1087-T1119 WeakPolarHBondContact CD2-OG1 3.46Å; L1115-T1119 WeakPolarHBondContact O-CB 3.28Å; L1115-T1119 PolarHBondContact O-N 3.39Å; L1115-T1119 VanDerWaalsContact O-N 3.11Å; L1115-T1119 PolarHBondContact O-OG1 2.8Å; Q1116-T1119 WeakPolarHBondContact O-CB 3.2Å; Q1116-T1119 PolarHBondContact O-N 2.96Å; Q1117-T1119 VanDerWaalsContact C-N 3.29Å; Q1117-T1119 PolarHBondContact O-N 3.13Å; T1119-A1122 PolarHBondContact O-N 3.32Å; T1119-V1123 WeakPolarHBondContact O-CB 3.27Å; T1119-V1123 VanDerWaalsContact O-CG2 3.31Å; T1119-V1123 WeakPolarHBondContact O-CG2 3.33Å; T1119-V1123 PolarHBondContact O-N 3.01Å
1120E87.9Confident85.8Confident121 Ų12176.4 Ų76.457%0.56536%0.361SS*.Hα-helixtrans-63.1-43174.8-72-175.3-168.700112.6Q1116 Q1117 V1123 R1124Q1116-E1120 PolarHBondContact O-N 3.43Å; Q1117-E1120 PolarHBondContact O-N 2.78Å; E1120-V1123 PolarHBondContact O-N 3.41Å; E1120-R1124 WeakPolarHBondContact O-CB 3.18Å; E1120-R1124 PolarHBondContact O-N 3.04Å
1121Q85.2Confident85.4Confident74 Ų7477.3 Ų77.335%0.34637%0.365SS..Hα-helixtrans-62.9-44.7176.2-72.8175.33.600111.3F1083 Q1117 R1124 L1125F1083-Q1121 HydrophobicContact CD1-CB 4.27Å; F1083-Q1121 HydrophobicContact CE1-CB 3.56Å; F1083-Q1121 HydrophobicContact CZ-CB 4.09Å; Q1117-Q1121 WeakPolarHBondContact O-CB 3Å; Q1117-Q1121 VanDerWaalsContact O-CG 3.27Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.49Å; Q1117-Q1121 PolarHBondContact O-N 3Å; Q1121-R1124 PolarHBondContact O-N 2.93Å; Q1121-L1125 WeakPolarHBondContact O-CB 3.44Å; Q1121-L1125 PolarHBondContact O-N 3.45Å
1122A85.2Confident84.5Confident22 Ų2280.5 Ų80.518%0.18238%0.38CS..Hα-helixtrans-60.4-45.6175.500000112.2F1083 L1087 L1118 T1119 L1125 Q1126F1083-A1122 HydrophobicContact CB-CB 3.73Å; F1083-A1122 HydrophobicContact CD1-CB 4.14Å; F1083-A1122 HydrophobicContact CG-CB 3.98Å; L1087-A1122 HydrophobicContact CD1-CB 4.23Å; L1118-A1122 VanDerWaalsContact O-CB 3.27Å; L1118-A1122 WeakPolarHBondContact O-CB 3.36Å; L1118-A1122 PolarHBondContact O-N 3.36Å; T1119-A1122 PolarHBondContact O-N 3.32Å; A1122-L1125 PolarHBondContact O-N 2.83Å; A1122-Q1126 WeakPolarHBondContact O-CB 3.49Å; A1122-Q1126 PolarHBondContact O-N 2.88Å
1123V88.1Confident83.4Confident63 Ų6385 Ų8538%0.38239%0.393SS..Hα-helixtrans-65.8-39.8176.4170.50000111.3T1119 E1120 Q1126 R1127T1119-V1123 WeakPolarHBondContact O-CB 3.27Å; T1119-V1123 VanDerWaalsContact O-CG2 3.31Å; T1119-V1123 WeakPolarHBondContact O-CG2 3.33Å; T1119-V1123 PolarHBondContact O-N 3.01Å; E1120-V1123 PolarHBondContact O-N 3.41Å; V1123-Q1126 PolarHBondContact O-N 3.24Å; V1123-R1127 HydrophobicContact CG1-CG 4.38Å; V1123-R1127 WeakPolarHBondContact O-CB 3.38Å; V1123-R1127 VanDerWaalsContact O-CG 3.27Å; V1123-R1127 WeakPolarHBondContact O-CG 3.28Å; V1123-R1127 PolarHBondContact O-N 3.47Å
1124R84.5Confident82.5Confident142 Ų14286.9 Ų86.954%0.53640%0.402SS..Hα-helixtrans-63.9-42.9176.5-172-178-63.6177.81.9111.3E1120 Q1121 R1128E1120-R1124 WeakPolarHBondContact O-CB 3.18Å; E1120-R1124 PolarHBondContact O-N 3.04Å; Q1121-R1124 PolarHBondContact O-N 2.93Å; R1124-R1128 WeakPolarHBondContact O-CG 3.04Å; R1124-R1128 PolarHBondContact O-N 3.4Å; R1124-R1128 VanDerWaalsContact O-N 3.07Å
1125L79.1Confident81.4Confident34 Ų3490.6 Ų90.618%0.17843%0.425CS..Hα-helixtrans-63.6-49.2173.7-179.463.4000111.1F1083 Q1121 A1122 R1127 R1128 M1129 V1146F1083-L1125 HydrophobicContact CD2-CD2 3.7Å; F1083-L1125 HydrophobicContact CE2-CD2 3.66Å; Q1121-L1125 WeakPolarHBondContact O-CB 3.44Å; Q1121-L1125 PolarHBondContact O-N 3.45Å; A1122-L1125 PolarHBondContact O-N 2.83Å; L1125-R1127 VanDerWaalsContact C-N 3.33Å; L1125-R1127 PolarHBondContact O-N 2.98Å; L1125-R1128 WeakPolarHBondContact O-CB 3.42Å; L1125-R1128 PolarHBondContact O-N 3.38Å; L1125-R1128 VanDerWaalsContact O-N 3.15Å; L1125-M1129 HydrophobicContact CD1-CG 4.32Å; L1125-M1129 HydrophobicContact CD1-SD 4.44Å; L1125-M1129 HydrophobicContact CG-CG 4.41Å; L1125-M1129 HydrophobicContact CG-SD 4.11Å; L1125-M1129 WeakPolarHBondContact O-CG 3.26Å; L1125-M1129 PolarHBondContact O-N 3.34Å; L1125-V1146 HydrophobicContact CD1-CG2 4.29Å
1126Q82.5Confident79.8Confident93 Ų9396.8 Ų96.844%0.43546%0.458SS..Hα-helixtrans-61.2-40.3179.8-172.16356.200112.2A1122 V1123 M1129 N1130A1122-Q1126 WeakPolarHBondContact O-CB 3.49Å; A1122-Q1126 PolarHBondContact O-N 2.88Å; V1123-Q1126 PolarHBondContact O-N 3.24Å; Q1126-M1129 PolarHBondContact O-N 2.67Å; Q1126-N1130 PolarHBondContact NE2-OD1 3.32Å; Q1126-N1130 WeakPolarHBondContact O-CB 3.17Å; Q1126-N1130 PolarHBondContact O-N 3.28Å; Q1126-N1130 PolarHBondContact O-OD1 3.14Å
1127R85.6Confident78.3Confident177 Ų17795.2 Ų95.267%0.66846%0.459SS*.Hα-helixtrans-60-49.1173-75.8175.1-176.7177.73.6111.1V1123 L1125 M1129 N1130 S1131V1123-R1127 HydrophobicContact CG1-CG 4.38Å; V1123-R1127 WeakPolarHBondContact O-CB 3.38Å; V1123-R1127 VanDerWaalsContact O-CG 3.27Å; V1123-R1127 WeakPolarHBondContact O-CG 3.28Å; V1123-R1127 PolarHBondContact O-N 3.47Å; L1125-R1127 VanDerWaalsContact C-N 3.33Å; L1125-R1127 PolarHBondContact O-N 2.98Å; R1127-M1129 PolarHBondContact O-N 3.38Å; R1127-N1130 PolarHBondContact O-N 2.89Å; R1127-S1131 PolarHBondContact O-N 2.9Å; R1127-S1131 PolarHBondContact O-OG 3.09Å
1128R76.8Confident76.7Confident140 Ų14096.4 Ų96.453%0.52848%0.478SS..Hα-helixtrans-58-45.3175.4-73.6175.1176.6-176-1.9111.9R1124 L1125 N1130 S1131 M1132R1124-R1128 WeakPolarHBondContact O-CG 3.04Å; R1124-R1128 PolarHBondContact O-N 3.4Å; R1124-R1128 VanDerWaalsContact O-N 3.07Å; L1125-R1128 WeakPolarHBondContact O-CB 3.42Å; L1125-R1128 PolarHBondContact O-N 3.38Å; L1125-R1128 VanDerWaalsContact O-N 3.15Å; R1128-N1130 VanDerWaalsContact C-N 3.35Å; R1128-N1130 PolarHBondContact O-N 2.86Å; R1128-S1131 PolarHBondContact O-N 2.83Å; R1128-M1132 HydrophobicContact CB-CE 4.46Å; R1128-M1132 WeakPolarHBondContact O-CG 3.34Å; R1128-M1132 PolarHBondContact O-N 3.09Å
1129M76.5Confident75Confident70 Ų7099 Ų9935%0.34550%0.499SS..Hα-helixtrans-62-39.8177.1-69.8-178.977.700112.5L1125 Q1126 R1127 M1132 R1133L1125-M1129 HydrophobicContact CD1-CG 4.32Å; L1125-M1129 HydrophobicContact CD1-SD 4.44Å; L1125-M1129 HydrophobicContact CG-CG 4.41Å; L1125-M1129 HydrophobicContact CG-SD 4.11Å; L1125-M1129 WeakPolarHBondContact O-CG 3.26Å; L1125-M1129 PolarHBondContact O-N 3.34Å; Q1126-M1129 PolarHBondContact O-N 2.67Å; R1127-M1129 PolarHBondContact O-N 3.38Å; M1129-M1132 HydrophobicContact CG-CE 4.24Å; M1129-M1132 PolarHBondContact O-N 2.93Å; M1129-R1133 WeakPolarHBondContact O-CG 3.26Å; M1129-R1133 PolarHBondContact O-N 3.36Å
1130N81.7Confident73.2Confident72 Ų72100.5 Ų100.539%0.38551%0.508SS..Hα-helixtrans-66.2-43.6176.1-69.7-2.4000111.6Q1126 R1127 R1128 M1132 R1133 Q1134Q1126-N1130 PolarHBondContact NE2-OD1 3.32Å; Q1126-N1130 WeakPolarHBondContact O-CB 3.17Å; Q1126-N1130 PolarHBondContact O-N 3.28Å; Q1126-N1130 PolarHBondContact O-OD1 3.14Å; R1127-N1130 PolarHBondContact O-N 2.89Å; R1128-N1130 VanDerWaalsContact C-N 3.35Å; R1128-N1130 PolarHBondContact O-N 2.86Å; N1130-M1132 VanDerWaalsContact C-N 3.34Å; N1130-M1132 PolarHBondContact O-N 2.97Å; N1130-R1133 PolarHBondContact O-N 3.14Å; N1130-Q1134 PolarHBondContact O-N 3.09Å
1131S76.9Confident71.4Confident62 Ų6299.3 Ų99.343%0.43452%0.52SS..Hα-helixtrans-62.9-37.8174.3-58.30000112.7R1127 R1128 Q1134 N1135R1127-S1131 PolarHBondContact O-N 2.9Å; R1127-S1131 PolarHBondContact O-OG 3.09Å; R1128-S1131 PolarHBondContact O-N 2.83Å; S1131-Q1134 PolarHBondContact O-N 3.2Å; S1131-N1135 PolarHBondContact O-N 3.13Å
1132M66.7Low69.7Low73 Ų73106.3 Ų106.336%0.3654%0.543SS..Hα-helixtrans-66.7-36.6175.2-73.2-175.2-68.100112.5R1128 M1129 N1130 Q1134 N1135R1128-M1132 HydrophobicContact CB-CE 4.46Å; R1128-M1132 WeakPolarHBondContact O-CG 3.34Å; R1128-M1132 PolarHBondContact O-N 3.09Å; M1129-M1132 HydrophobicContact CG-CE 4.24Å; M1129-M1132 PolarHBondContact O-N 2.93Å; N1130-M1132 VanDerWaalsContact C-N 3.34Å; N1130-M1132 PolarHBondContact O-N 2.97Å; M1132-Q1134 VanDerWaalsContact C-N 3.29Å; M1132-Q1134 PolarHBondContact O-N 3.16Å; M1132-N1135 PolarHBondContact O-N 3.08Å
1133R69.3Low68Low182 Ų182113.4 Ų113.469%0.68757%0.57SS**Hα-helixtrans-64.8-30173.2-75176177.5-179.1-1.2113.1M1129 N1130M1129-R1133 WeakPolarHBondContact O-CG 3.26Å; M1129-R1133 PolarHBondContact O-N 3.36Å; N1130-R1133 PolarHBondContact O-N 3.14Å
1134Q71.1Confident66Low153 Ų153113.2 Ų113.272%0.71557%0.57SS**Hα-helixtrans-75.5-30.9176.4-71.5172.4-21.200112.7N1130 S1131 M1132N1130-Q1134 PolarHBondContact O-N 3.09Å; S1131-Q1134 PolarHBondContact O-N 3.2Å; M1132-Q1134 VanDerWaalsContact C-N 3.29Å; M1132-Q1134 PolarHBondContact O-N 3.16Å
1135N64.7Low64.2Low125 Ų125110.4 Ų110.467%0.66858%0.578SS**THydrogen-bonded Turntrans-93.66.2-171.1-78.50.9000115.6S1131 M1132 S1137S1131-N1135 PolarHBondContact O-N 3.13Å; M1132-N1135 PolarHBondContact O-N 3.08Å; N1135-S1137 PolarHBondContact O-N 3.12Å
1136N57.8Low63Low160 Ų160110.4 Ų110.486%0.85658%0.579SS**THydrogen-bonded Turntrans49.719.3171.3-105.60.3000116.9
1137S58.2Low61.5Low75 Ų75115 Ų11552%0.52460%0.6SS.*  trans-91.6121.9-168.8-172.40000111.8N1135 A1139 V1140N1135-S1137 PolarHBondContact O-N 3.12Å; S1137-A1139 PolarHBondContact O-N 3.15Å; S1137-V1140 WeakPolarHBondContact O-CG2 3.4Å
1138S55.6Low60.1Low123 Ų123108.4 Ų108.486%0.8658%0.58SS**THydrogen-bonded Turntrans-691.8-176.353.80000115.1V1140S1138-V1140 PolarHBondContact O-N 3Å; S1138-V1140 VanDerWaalsContact O-N 3.07Å
1139A53Low59.2Low54 Ų54111.3 Ų111.345%0.44659%0.591SS.*THydrogen-bonded Turntrans-73.412.417500000114.8S1137 A1141 R1142S1137-A1139 PolarHBondContact O-N 3.15Å; A1139-A1141 PolarHBondContact O-N 3.44Å; A1139-R1142 PolarHBondContact O-N 3.48Å
1140V51.1Low58.6Low95 Ų95112.7 Ų112.758%0.57659%0.593SS**THydrogen-bonded Turntrans-50.5-33.4-167-173.40000114.8S1137 S1138S1137-V1140 WeakPolarHBondContact O-CG2 3.4Å; S1138-V1140 PolarHBondContact O-N 3Å; S1138-V1140 VanDerWaalsContact O-N 3.07Å
1141A50.4Low57.8Low97 Ų97111.2 Ų111.280%0.80259%0.587SS**THydrogen-bonded Turntrans-81.8-18.6-168.400000116A1139A1139-A1141 PolarHBondContact O-N 3.44Å
1142R49.8Very low57.3Low221 Ų221113.7 Ų113.783%0.83459%0.592SS**THydrogen-bonded Turntrans-109-13.3-166.6-61.3-171.9-159.8162.68116.5A1139A1139-R1142 PolarHBondContact O-N 3.48Å
1143F47.7Very low57.5Low171 Ų171113.1 Ų113.175%0.7560%0.599SS**SBendtrans-113.512.2-173.6-70.3-78000114.5A1145F1143-A1145 VanDerWaalsContact C-N 3.33Å
1144C46.7Very low57.7Low58 Ų58109.6 Ų109.639%0.39259%0.593SS.*  trans-91.919.7175.3-64.80000113.9V1146C1144-V1146 PolarHBondContact O-N 3.21Å; C1144-V1146 VanDerWaalsContact O-N 3.1Å
1145A47.8Very low57.6Low83 Ų83104.3 Ų104.369%0.68658%0.575SS**  trans-7399.6168.500000109.2F1143F1143-A1145 VanDerWaalsContact C-N 3.33Å
1146V53Low57.8Low35 Ų3598.4 Ų98.421%0.21254%0.544CS..  trans-60.7135.8153.1179.80000106.3N1081 L1125 C1144 V1148N1081-V1146 WeakPolarHBondContact OD1-CB 3.45Å; N1081-V1146 VanDerWaalsContact OD1-CG2 3.26Å; N1081-V1146 WeakPolarHBondContact OD1-CG2 3.3Å; L1125-V1146 HydrophobicContact CD1-CG2 4.29Å; C1144-V1146 PolarHBondContact O-N 3.21Å; C1144-V1146 VanDerWaalsContact O-N 3.1Å; V1146-V1148 VanDerWaalsContact C-N 3.33Å; V1146-V1148 PolarHBondContact O-N 3.45Å
1147E51.9Low58.3Low188 Ų18891.5 Ų91.588%0.87951%0.507SS*.  trans-64.996.8172.6-74.6-179.8152.600108.8R1149E1147-R1149 VanDerWaalsContact C-N 3.34Å; E1147-R1149 PolarHBondContact O-N 3.09Å
1148V54.4Low58.7Low40 Ų4091.8 Ų91.824%0.24250%0.5CS..  trans-73.392175.4-178.50000107.5C1079 V1146 Y1150C1079-V1148 HydrophobicContact CB-CG1 3.61Å; C1079-V1148 WeakPolarHBondContact O-CG2 3.46Å; C1079-V1148 VanDerWaalsContact SG-CG1 3.55Å; V1146-V1148 VanDerWaalsContact C-N 3.33Å; V1146-V1148 PolarHBondContact O-N 3.45Å; V1148-Y1150 HydrophobicContact CB-CE2 4.2Å; V1148-Y1150 HydrophobicContact CG1-CD1 4.34Å; V1148-Y1150 HydrophobicContact CG1-CD2 4.29Å; V1148-Y1150 HydrophobicContact CG1-CE1 3.93Å; V1148-Y1150 HydrophobicContact CG1-CE2 3.89Å; V1148-Y1150 HydrophobicContact CG1-CG 4.5Å; V1148-Y1150 VanDerWaalsContact O-CD2 3.3Å; V1148-Y1150 WeakPolarHBondContact O-CD2 3.47Å; V1148-Y1150 PolarHBondContact O-N 3.43Å
1149R59.6Low59.1Low201 Ų20188.2 Ų88.276%0.75847%0.473SS*.  trans-73.993.7171.2-168.6172.4-177.4177.9-1.2108.8E1147 E1152E1147-R1149 VanDerWaalsContact C-N 3.34Å; E1147-R1149 PolarHBondContact O-N 3.09Å; R1149-E1152 IonicContact CZ-OE1 3.74Å; R1149-E1152 IonicContact NH2-OE1 2.71Å; R1149-E1152 PolarHBondContact NH2-OE1 2.65Å
1150Y63.2Low59.5Low98 Ų9885.7 Ų85.738%0.38445%0.451SS..PPolyproline II helixtrans-56.6149.6166.5-63.4-80.2000110L1041 V1148L1041-Y1150 HydrophobicContact CD2-CE1 4.43Å; V1148-Y1150 HydrophobicContact CB-CE2 4.2Å; V1148-Y1150 HydrophobicContact CG1-CD1 4.34Å; V1148-Y1150 HydrophobicContact CG1-CD2 4.29Å; V1148-Y1150 HydrophobicContact CG1-CE1 3.93Å; V1148-Y1150 HydrophobicContact CG1-CE2 3.89Å; V1148-Y1150 HydrophobicContact CG1-CG 4.5Å; V1148-Y1150 VanDerWaalsContact O-CD2 3.3Å; V1148-Y1150 WeakPolarHBondContact O-CD2 3.47Å; V1148-Y1150 PolarHBondContact O-N 3.43Å
1151P64Low60.1Low41 Ų4181.3 Ų81.327%0.26643%0.425SS..PPolyproline II helixtrans-62142.6173.631.9-39.4000109.6Y1036 V1156Y1036-P1151 HydrophobicContact CD1-CG 3.98Å; Y1036-P1151 VanDerWaalsContact CE1-CD 3.45Å; Y1036-P1151 HydrophobicContact CE1-CG 3.53Å; P1151-V1156 HydrophobicContact CB-CG2 3.82Å; P1151-V1156 HydrophobicContact CG-CG2 3.49Å; P1151-V1156 VanDerWaalsContact CG-CG2 3.49Å
1152E67.4Low60.4Low114 Ų11478.7 Ų78.753%0.53340%0.399SS..PPolyproline II helixtrans-64.9146.8170.5-68.2171.5-149.900109.2R1149 I1154 A1155 V1156R1149-E1152 IonicContact CZ-OE1 3.74Å; R1149-E1152 IonicContact NH2-OE1 2.71Å; R1149-E1152 PolarHBondContact NH2-OE1 2.65Å; E1152-I1154 PolarHBondContact O-N 3.28Å; E1152-A1155 PolarHBondContact O-N 3Å; E1152-V1156 PolarHBondContact O-N 2.85Å
1153A70.5Confident60.7Low62 Ų6268.2 Ų68.251%0.51236%0.359SS..Hα-helixtrans-56.6-30.3-174.300000112.5V1156 I1157A1153-V1156 PolarHBondContact O-N 2.79Å; A1153-I1157 WeakPolarHBondContact O-CB 3.34Å; A1153-I1157 WeakPolarHBondContact O-CD1 3.46Å; A1153-I1157 WeakPolarHBondContact O-CG1 3.35Å; A1153-I1157 PolarHBondContact O-N 3.38Å
1154I73.5Confident61.1Low108 Ų10861.6 Ų61.655%0.55433%0.332SS*.Hα-helixtrans-61.7-50.4175.2-62.6167.8000111E1152 V1156 I1157 E1158E1152-I1154 PolarHBondContact O-N 3.28Å; I1154-V1156 PolarHBondContact O-N 3.38Å; I1154-I1157 CarbonylContact O-C 3.59Å; I1154-I1157 WeakPolarHBondContact O-CA 3.46Å; I1154-I1157 WeakPolarHBondContact O-CB 3.43Å; I1154-I1157 PolarHBondContact O-N 2.98Å; I1154-E1158 HydrophobicContact CG2-CG 4.4Å; I1154-E1158 WeakPolarHBondContact O-CG 3.43Å; I1154-E1158 PolarHBondContact O-N 3.41Å
1155A69.6Low61.6Low41 Ų4159.1 Ų59.134%0.33932%0.316SS..Hα-helixtrans-61.8-33.5177.100000112.3E1152 V1159E1152-A1155 PolarHBondContact O-N 3Å; A1155-V1159 VanDerWaalsContact O-CB 3.29Å; A1155-V1159 WeakPolarHBondContact O-CB 3.41Å; A1155-V1159 WeakPolarHBondContact O-CG2 3.46Å; A1155-V1159 PolarHBondContact O-N 3.09Å; A1155-V1159 VanDerWaalsContact O-N 3.14Å
1156V68.2Low62.2Low2 Ų255.2 Ų55.21%0.01228%0.284CS..Hα-helixtrans-67.7-42.8172.3178.80000111.1F989 L1033 A1037 P1151 E1152 A1153 I1154 L1160F989-V1156 HydrophobicContact CE1-CB 4.11Å; F989-V1156 HydrophobicContact CE1-CG1 3.5Å; F989-V1156 VanDerWaalsContact CE1-CG1 3.5Å; F989-V1156 HydrophobicContact CZ-CB 4.38Å; F989-V1156 HydrophobicContact CZ-CG1 3.69Å; L1033-V1156 HydrophobicContact CD2-CG1 3.83Å; L1033-V1156 HydrophobicContact CG-CG1 3.93Å; A1037-V1156 HydrophobicContact CB-CG1 4.26Å; A1037-V1156 HydrophobicContact CB-CG2 3.97Å; P1151-V1156 HydrophobicContact CB-CG2 3.82Å; P1151-V1156 HydrophobicContact CG-CG2 3.49Å; P1151-V1156 VanDerWaalsContact CG-CG2 3.49Å; E1152-V1156 PolarHBondContact O-N 2.85Å; A1153-V1156 PolarHBondContact O-N 2.79Å; I1154-V1156 PolarHBondContact O-N 3.38Å; V1156-L1160 HydrophobicContact CG1-CD1 4.03Å; V1156-L1160 HydrophobicContact CG1-CG 4.46Å; V1156-L1160 WeakPolarHBondContact O-CB 3.47Å; V1156-L1160 VanDerWaalsContact O-CG 3.23Å; V1156-L1160 WeakPolarHBondContact O-CG 3.45Å; V1156-L1160 PolarHBondContact O-N 3Å
1157I69.3Low62.1Low15 Ų1558 Ų588%0.07729%0.291CS..Hα-helixtrans-62.4-51.5176.8-72.4161.3000110.5Y952 F989 A990 A1153 I1154 V1159 L1160 T1161Y952-I1157 HydrophobicContact CE1-CG2 4.45Å; F989-I1157 HydrophobicContact CD1-CG1 4.18Å; F989-I1157 HydrophobicContact CE1-CG1 4.19Å; A990-I1157 HydrophobicContact CB-CD1 3.91Å; A990-I1157 HydrophobicContact CB-CG1 3.97Å; A990-I1157 HydrophobicContact CB-CG2 4.36Å; A1153-I1157 WeakPolarHBondContact O-CB 3.34Å; A1153-I1157 WeakPolarHBondContact O-CD1 3.46Å; A1153-I1157 WeakPolarHBondContact O-CG1 3.35Å; A1153-I1157 PolarHBondContact O-N 3.38Å; I1154-I1157 CarbonylContact O-C 3.59Å; I1154-I1157 WeakPolarHBondContact O-CA 3.46Å; I1154-I1157 WeakPolarHBondContact O-CB 3.43Å; I1154-I1157 PolarHBondContact O-N 2.98Å; I1157-V1159 VanDerWaalsContact C-N 3.31Å; I1157-V1159 PolarHBondContact O-N 3.4Å; I1157-L1160 CarbonylContact O-C 3.52Å; I1157-L1160 WeakPolarHBondContact O-CA 3.31Å; I1157-L1160 WeakPolarHBondContact O-CB 3.39Å; I1157-L1160 PolarHBondContact O-N 3.39Å; I1157-T1161 PolarHBondContact O-N 3.36Å; I1157-T1161 PolarHBondContact O-OG1 3.43Å
1158E66.8Low62Low81 Ų8152.9 Ų52.938%0.37926%0.264SS..Hα-helixtrans-55.7-45.7177.8-72.3170.6178.800112.3I1154 T1161 V1162I1154-E1158 HydrophobicContact CG2-CG 4.4Å; I1154-E1158 WeakPolarHBondContact O-CG 3.43Å; I1154-E1158 PolarHBondContact O-N 3.41Å; E1158-T1161 PolarHBondContact O-N 3.19Å; E1158-V1162 PolarHBondContact O-N 3.32Å
1159V63.5Low61.7Low48 Ų4851.9 Ų51.929%0.29126%0.258SS..Hα-helixtrans-57.6-52.7173.3167.70000109.2T1028 L1033 A1155 I1157 T1161 V1162 I1163T1028-V1159 HydrophobicContact CG2-CG1 4.31Å; L1033-V1159 HydrophobicContact CD2-CB 4.27Å; L1033-V1159 HydrophobicContact CD2-CG1 3.59Å; A1155-V1159 VanDerWaalsContact O-CB 3.29Å; A1155-V1159 WeakPolarHBondContact O-CB 3.41Å; A1155-V1159 WeakPolarHBondContact O-CG2 3.46Å; A1155-V1159 PolarHBondContact O-N 3.09Å; A1155-V1159 VanDerWaalsContact O-N 3.14Å; I1157-V1159 VanDerWaalsContact C-N 3.31Å; I1157-V1159 PolarHBondContact O-N 3.4Å; V1159-T1161 VanDerWaalsContact C-N 3.3Å; V1159-T1161 PolarHBondContact O-N 3.48Å; V1159-V1162 PolarHBondContact O-N 3.03Å; V1159-I1163 HydrophobicContact CB-CD1 4.44Å; V1159-I1163 HydrophobicContact CG1-CD1 3.37Å; V1159-I1163 HydrophobicContact CG1-CG1 4.36Å; V1159-I1163 WeakPolarHBondContact O-CB 3.09Å; V1159-I1163 WeakPolarHBondContact O-CD1 3.46Å; V1159-I1163 WeakPolarHBondContact O-CG1 3.16Å; V1159-I1163 PolarHBondContact O-N 3.45Å
1160L62.2Low61.1Low0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-57.5-35.3175.2-69.6169000113.8I986 F989 N1030 L1033 M1034 V1156 I1157 I1163 N1164I986-L1160 HydrophobicContact CG2-CB 4.26Å; F989-L1160 HydrophobicContact CD1-CD1 3.71Å; F989-L1160 HydrophobicContact CE1-CD1 4.08Å; F989-L1160 HydrophobicContact CG-CD1 4.38Å; N1030-L1160 WeakPolarHBondContact OD1-CD2 3.29Å; L1033-L1160 HydrophobicContact CD2-CD2 4.3Å; L1033-L1160 HydrophobicContact CD2-CG 4.23Å; M1034-L1160 HydrophobicContact CE-CD1 4.04Å; V1156-L1160 HydrophobicContact CG1-CD1 4.03Å; V1156-L1160 HydrophobicContact CG1-CG 4.46Å; V1156-L1160 WeakPolarHBondContact O-CB 3.47Å; V1156-L1160 VanDerWaalsContact O-CG 3.23Å; V1156-L1160 WeakPolarHBondContact O-CG 3.45Å; V1156-L1160 PolarHBondContact O-N 3Å; I1157-L1160 CarbonylContact O-C 3.52Å; I1157-L1160 WeakPolarHBondContact O-CA 3.31Å; I1157-L1160 WeakPolarHBondContact O-CB 3.39Å; I1157-L1160 PolarHBondContact O-N 3.39Å; L1160-I1163 WeakPolarHBondContact O-CB 3.28Å; L1160-N1164 PolarHBondContact O-N 2.64Å; L1160-N1164 PolarHBondContact O-ND2 2.69Å
1161T62.6Low59.7Low4 Ų442 Ų423%0.02523%0.228CC..Hα-helixtrans-69.9-46.5-179.2-54.10000111.7Y947 I1157 E1158 V1159 I1163 M1166 Y1167Y947-T1161 HydrophobicContact CD1-CG2 4.25Å; Y947-T1161 HydrophobicContact CE1-CG2 3.72Å; Y947-T1161 VanDerWaalsContact CE1-OG1 3.23Å; Y947-T1161 WeakPolarHBondContact CE1-OG1 3.22Å; Y947-T1161 PolarHBondContact OH-OG1 2.82Å; Y947-T1161 VanDerWaalsContact OH-OG1 3.13Å; I1157-T1161 PolarHBondContact O-N 3.36Å; I1157-T1161 PolarHBondContact O-OG1 3.43Å; E1158-T1161 PolarHBondContact O-N 3.19Å; V1159-T1161 VanDerWaalsContact C-N 3.3Å; V1159-T1161 PolarHBondContact O-N 3.48Å; T1161-I1163 VanDerWaalsContact C-N 3.33Å; T1161-M1166 HydrophobicContact CG2-CB 3.8Å; T1161-M1166 HydrophobicContact CG2-CG 4.49Å; T1161-M1166 WeakPolarHBondContact O-CB 2.89Å; T1161-M1166 WeakPolarHBondContact O-CG 3.49Å; T1161-M1166 PolarHBondContact O-N 3.33Å; T1161-Y1167 HydrophobicContact CG2-CD1 4.17Å; T1161-Y1167 HydrophobicContact CG2-CD2 3.55Å; T1161-Y1167 HydrophobicContact CG2-CE1 3.86Å; T1161-Y1167 HydrophobicContact CG2-CE2 3.19Å; T1161-Y1167 HydrophobicContact CG2-CG 4.03Å
1162V57.5Low58.2Low41 Ų4147.8 Ų47.825%0.24825%0.249CC..Hα-helixtrans-63.5-42.4173.6173.20000110.5M496 E1158 V1159 G1165 Y1167M496-V1162 HydrophobicContact CE-CG2 3.73Å; E1158-V1162 PolarHBondContact O-N 3.32Å; V1159-V1162 PolarHBondContact O-N 3.03Å; V1162-G1165 PolarHBondContact O-N 3.03Å; V1162-Y1167 HydrophobicContact CG2-CD2 3.85Å; V1162-Y1167 HydrophobicContact CG2-CE2 3.98Å
1163I54.7Low57.7Low1 Ų144.5 Ų44.51%0.00523%0.234CC..Hα-helixtrans-58.1-52-178-78.8167.7000113F1026 V1027 T1028 V1159 L1160 T1161 G1165F1026-I1163 WeakPolarHBondContact CD1-O 3.43Å; F1026-I1163 WeakPolarHBondContact O-CG2 3.34Å; V1027-I1163 HydrophobicContact CB-CB 4.32Å; V1027-I1163 HydrophobicContact CB-CG1 3.7Å; V1027-I1163 HydrophobicContact CG1-CG1 3.58Å; T1028-I1163 VanDerWaalsContact CB-CD1 3.45Å; T1028-I1163 HydrophobicContact CG2-CD1 3.63Å; T1028-I1163 HydrophobicContact CG2-CG1 4.15Å; T1028-I1163 VanDerWaalsContact N-CG1 3.35Å; T1028-I1163 WeakPolarHBondContact OG1-CD1 3.47Å; V1159-I1163 HydrophobicContact CB-CD1 4.44Å; V1159-I1163 HydrophobicContact CG1-CD1 3.37Å; V1159-I1163 HydrophobicContact CG1-CG1 4.36Å; V1159-I1163 WeakPolarHBondContact O-CB 3.09Å; V1159-I1163 WeakPolarHBondContact O-CD1 3.46Å; V1159-I1163 WeakPolarHBondContact O-CG1 3.16Å; V1159-I1163 PolarHBondContact O-N 3.45Å; L1160-I1163 WeakPolarHBondContact O-CB 3.28Å; T1161-I1163 VanDerWaalsContact C-N 3.33Å; I1163-G1165 PolarHBondContact O-N 3.48Å
1164N57.3Low57.1Low32 Ų3243.5 Ų43.517%0.17122%0.22CC..THydrogen-bonded Turntrans-87.621.6-174.3-62.9-82.2000111.6I986 N1030 L1160 M1166I986-N1164 HydrophobicContact CD1-CB 3.78Å; I986-N1164 WeakPolarHBondContact CD1-ND2 3.4Å; I986-N1164 WeakPolarHBondContact CD1-OD1 3.24Å; N1030-N1164 PolarHBondContact ND2-OD1 2.99Å; N1030-N1164 PolarHBondContact OD1-ND2 3.21Å; L1160-N1164 PolarHBondContact O-N 2.64Å; L1160-N1164 PolarHBondContact O-ND2 2.69Å; N1164-M1166 HydrophobicContact CB-CG 3.92Å; N1164-M1166 HydrophobicContact CB-SD 4.23Å; N1164-M1166 WeakPolarHBondContact O-CG 3.41Å; N1164-M1166 PolarHBondContact O-N 2.8Å
1165G56.2Low56.1Low7 Ų739.9 Ų39.97%0.07220%0.201CC..THydrogen-bonded Turntrans68.916.5173.700000114.6V1162 I1163 Y1167 W1168V1162-G1165 PolarHBondContact O-N 3.03Å; I1163-G1165 PolarHBondContact O-N 3.48Å; G1165-Y1167 VanDerWaalsContact C-N 3.32Å; G1165-Y1167 PolarHBondContact O-N 3.03Å; G1165-W1168 WeakPolarHBondContact O-CB 3.48Å; G1165-W1168 PolarHBondContact O-N 3.38Å
1166M60.8Low55.3Low1 Ų139.9 Ų39.91%0.00519%0.193CC..THydrogen-bonded Turntrans-75.4-23.2-161.6-43.6-152.279.500113R944 Y947 V948 I986 F987 T1161 N1164R944-M1166 HydrophobicContact CB-CE 4.43Å; R944-M1166 HydrophobicContact CG-CE 3.76Å; Y947-M1166 HydrophobicContact CD1-CB 4.22Å; Y947-M1166 HydrophobicContact CD1-CE 4.27Å; Y947-M1166 HydrophobicContact CD1-CG 4.49Å; Y947-M1166 HydrophobicContact CD1-SD 3.61Å; Y947-M1166 HydrophobicContact CE1-CB 4.35Å; Y947-M1166 HydrophobicContact CE1-CG 4.34Å; Y947-M1166 HydrophobicContact CE1-SD 3.44Å; Y947-M1166 WeakPolarHBondContact CE1-SD 3.33Å; V948-M1166 WeakPolarHBondContact CG2-O 3.48Å; I986-M1166 HydrophobicContact CG2-SD 4.22Å; F987-M1166 HydrophobicContact CE1-CE 3.37Å; F987-M1166 HydrophobicContact CE1-SD 3.87Å; F987-M1166 HydrophobicContact CZ-CE 3.47Å; F987-M1166 VanDerWaalsContact CZ-CE 3.47Å; T1161-M1166 HydrophobicContact CG2-CB 3.8Å; T1161-M1166 HydrophobicContact CG2-CG 4.49Å; T1161-M1166 WeakPolarHBondContact O-CB 2.89Å; T1161-M1166 WeakPolarHBondContact O-CG 3.49Å; T1161-M1166 PolarHBondContact O-N 3.33Å; N1164-M1166 HydrophobicContact CB-CG 3.92Å; N1164-M1166 HydrophobicContact CB-SD 4.23Å; N1164-M1166 WeakPolarHBondContact O-CG 3.41Å; N1164-M1166 PolarHBondContact O-N 2.8Å
1167Y51.5Low54.5Low93 Ų9342.3 Ų42.337%0.36521%0.205SC..THydrogen-bonded Turntrans-83.4-14.2170-66.1-60.9000114.3V948 T1161 V1162 G1165 V1169 F1170V948-Y1167 HydrophobicContact CG1-CD1 4.3Å; V948-Y1167 HydrophobicContact CG1-CE1 4.33Å; V948-Y1167 HydrophobicContact CG2-CD1 4.29Å; T1161-Y1167 HydrophobicContact CG2-CD1 4.17Å; T1161-Y1167 HydrophobicContact CG2-CD2 3.55Å; T1161-Y1167 HydrophobicContact CG2-CE1 3.86Å; T1161-Y1167 HydrophobicContact CG2-CE2 3.19Å; T1161-Y1167 HydrophobicContact CG2-CG 4.03Å; V1162-Y1167 HydrophobicContact CG2-CD2 3.85Å; V1162-Y1167 HydrophobicContact CG2-CE2 3.98Å; G1165-Y1167 VanDerWaalsContact C-N 3.32Å; G1165-Y1167 PolarHBondContact O-N 3.03Å; Y1167-V1169 PolarHBondContact O-N 3.12Å; Y1167-F1170 WeakPolarHBondContact O-CD2 3.43Å; Y1167-F1170 PolarHBondContact O-N 3.48Å
1168W48.5Very low53.6Low80 Ų8044.1 Ų44.130%0.30321%0.213SC..G310 helixtrans-73.92.2-176.4-7683.7000114.1F499 C662 G1165 F1170 S1171F499-W1168 HydrophobicContact CB-CZ2 4.44Å; F499-W1168 AromaticContact CD1-CH2 3.95Å; F499-W1168 HydrophobicContact CD1-CH2 3.95Å; F499-W1168 AromaticContact CD1-CZ2 3.63Å; F499-W1168 HydrophobicContact CD1-CZ2 3.63Å; F499-W1168 HydrophobicContact CE1-CZ2 4.27Å; F499-W1168 HydrophobicContact CG-CZ2 4.3Å; C662-W1168 HydrophobicContact CB-CB 3.56Å; C662-W1168 HydrophobicContact CB-CG 4.14Å; G1165-W1168 WeakPolarHBondContact O-CB 3.48Å; G1165-W1168 PolarHBondContact O-N 3.38Å; W1168-F1170 PolarHBondContact O-N 3.41Å; W1168-S1171 WeakPolarHBondContact CZ3-OG 3.37Å
1169V49.6Very low52.6Low20 Ų2041.4 Ų41.412%0.12120%0.201CC..G310 helixtrans-65.5-12.3168.3-1770000111.7L905 E906 L941 V945 Y1167L905-V1169 CarbonylContact C-O 3.42Å; L905-V1169 HydrophobicContact CB-CG1 3.87Å; L905-V1169 HydrophobicContact CD1-CG1 4.34Å; E906-V1169 WeakPolarHBondContact CA-O 3.25Å; L941-V1169 HydrophobicContact CD1-CG1 4.32Å; L941-V1169 HydrophobicContact CD1-CG2 4.33Å; V945-V1169 HydrophobicContact CG2-CG1 4.45Å; Y1167-V1169 PolarHBondContact O-N 3.12Å
1170F46.9Very low51.8Low50 Ų5040.9 Ų40.922%0.21919%0.194CC..G310 helixtrans-125.811.9-168.2-41.3-60.7000115.9L905 L910 V948 Y1167 W1168L905-F1170 VanDerWaalsContact O-CD1 3.3Å; L905-F1170 WeakPolarHBondContact O-CD1 3.49Å; L910-F1170 HydrophobicContact CD2-CD1 3.63Å; L910-F1170 HydrophobicContact CD2-CE1 3.08Å; L910-F1170 HydrophobicContact CD2-CZ 3.65Å; V948-F1170 HydrophobicContact CB-CE2 4.12Å; V948-F1170 HydrophobicContact CB-CZ 4.21Å; V948-F1170 HydrophobicContact CG1-CE2 3.55Å; V948-F1170 HydrophobicContact CG1-CZ 3.88Å; V948-F1170 HydrophobicContact CG2-CE2 3.77Å; V948-F1170 HydrophobicContact CG2-CZ 4.09Å; Y1167-F1170 WeakPolarHBondContact O-CD2 3.43Å; Y1167-F1170 PolarHBondContact O-N 3.48Å; W1168-F1170 PolarHBondContact O-N 3.41Å
1171S34.2Very low50.9Low41 Ų4144.3 Ų44.329%0.28721%0.21SC..  trans-129.246.5-167.874.90000115.5W1168W1168-S1171 WeakPolarHBondContact CZ3-OG 3.37Å
1172K31.4Very low49.9Very low162 Ų16248 Ų4870%0.70423%0.227SC*.  trans-108.20152.1-76.3-174.5-165.8141.20109E906E906-K1172 IonicContact OE1-NZ 3.01Å; E906-K1172 PolarHBondContact OE1-NZ 3.49Å

Retrieved 1,172 of 1,172 residues in 1372.5 ms (Link to these results)

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