A0A061IDX5_CRIGR Loading...

Geranylgeranyl transferase type-1 subunit beta

AlphaFold DB , UniProt , Accession A0A061IDX5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pggt1b, Length 377 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
1M41.2Very low39Very low250 Ų250134.4 Ų134.4100%1.23275%0.746SS**  01020-80178.9-119.300106.9
2A41.3Very low39.3Very low98 Ų98133.3 Ų133.381%0.8176%0.755SS**PPolyproline II helixtrans-84.7123179.500000108.1
3A37.8Very low39.4Very low61 Ų61129.5 Ų129.550%0.50476%0.763SS.*PPolyproline II helixtrans-58.5134.7168.500000109
4T49Very low39.6Very low86 Ų86131.4 Ų131.453%0.52877%0.768SS.*PPolyproline II helixtrans-66.9151.2-179.9470000110.4E6 E7T4-E6 PolarHBondContact O-N 2.99Å; T4-E7 PolarHBondContact O-N 3.05Å
5E40.8Very low40.2Very low171 Ų171127.3 Ų127.380%0.79977%0.765SS**THydrogen-bonded Turntrans-60.6-16.3-176.5-135.5165.2-177.100113.4
6E38.3Very low41Very low163 Ų163129.3 Ų129.376%0.76276%0.763SS**THydrogen-bonded Turntrans-72.4-30.3172.2-79.7179147.100113.7T4 R8 L9T4-E6 PolarHBondContact O-N 2.99Å; E6-R8 VanDerWaalsContact C-N 3.33Å; E6-R8 PolarHBondContact O-N 3.43Å; E6-L9 PolarHBondContact O-N 3.47Å
7E35.7Very low42.5Very low134 Ų134132.4 Ų132.463%0.62676%0.759SS**G310 helixtrans-78.6-17.1-179.7-71.9-178.6153.500112.8T4T4-E7 PolarHBondContact O-N 3.05Å
8R36.4Very low44.8Very low212 Ų212127.6 Ų127.680%0.873%0.73SS**G310 helixtrans-82.1-13.4174.2-70.5-172.9-177.5-162.80.8113.8E6E6-R8 VanDerWaalsContact C-N 3.33Å; E6-R8 PolarHBondContact O-N 3.43Å
9L38.5Very low47.4Very low158 Ų158126 Ų12683%0.82772%0.719SS**G310 helixtrans-95.60.4176.9-78.1157.7000113.2E6E6-L9 PolarHBondContact O-N 3.47Å
10A37.4Very low50Low86 Ų86121.1 Ų121.171%0.71169%0.689SS**  trans-99.11817900000113.9
11G32.8Very low52.3Low59 Ų59117.1 Ų117.161%0.60867%0.666SS**SBendtrans-99.4120.9178.900000113.2
12S43Very low55Low122 Ų122108.8 Ų108.885%0.85362%0.621SS**  trans86.149.7174.473.80000118D14S12-D14 PolarHBondContact O-N 3.1Å; S12-D14 VanDerWaalsContact O-N 3.1Å
13G40.3Very low57.7Low83 Ų83108.8 Ų108.886%0.85661%0.607SS**  trans-77.562.9160.100000113.1
14D42Very low60.6Low157 Ų157110.2 Ų110.284%0.8460%0.6SS**  trans-154.965.7161.9-134.56.3000108.9S12 E16S12-D14 PolarHBondContact O-N 3.1Å; S12-D14 VanDerWaalsContact O-N 3.1Å; D14-E16 PolarHBondContact O-N 2.98Å; D14-E16 VanDerWaalsContact O-N 3.17Å
15G48.6Very low63Low70 Ų70106.1 Ų106.172%0.72257%0.574SS**  trans-66112.8172.100000108.4R17G15-R17 PolarHBondContact O-N 3.17Å
16E53.2Low65.8Low158 Ų15898.5 Ų98.574%0.73854%0.539SS*.  trans-46.2112.1180-152.7-177.9-15700109.5D14 L18D14-E16 PolarHBondContact O-N 2.98Å; D14-E16 VanDerWaalsContact O-N 3.17Å; E16-L18 PolarHBondContact O-N 2.94Å
17R66Low68.7Low182 Ų18296.9 Ų96.969%0.68753%0.526SS*.  trans-66.1106.2179.9-169.4176.3-173.7177.61107.1G15 D19G15-R17 PolarHBondContact O-N 3.17Å; R17-D19 PolarHBondContact O-N 3.18Å
18L84.1Confident71.7Confident46 Ų4691.5 Ų91.524%0.24150%0.501CS..PPolyproline II helixtrans-66.7119.3179.4-63.9175.7000108.8E16 L299E16-L18 PolarHBondContact O-N 2.94Å; L18-L299 HydrophobicContact CB-CB 4Å; L18-L299 HydrophobicContact CD1-CB 4.5Å; L18-L299 WeakPolarHBondContact O-CD1 3.45Å
19D94.8Very high74.7Confident98 Ų9881.4 Ų81.452%0.52446%0.463SS..PPolyproline II helixtrans-87.3155.1174.9-65-33.2000111.9R17 Q302R17-D19 PolarHBondContact O-N 3.18Å; D19-Q302 PolarHBondContact O-NE2 2.89Å
20F98.4Very high77.5Confident27 Ų2776.4 Ų76.412%0.11844%0.435CS..PPolyproline II helixtrans-81116.5175.1176.8-119000111.1R22 H25 L61 L299 F309 I326 L329 E334 I337F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 HydrophobicContact CD1-CB 4.1Å; F20-R22 HydrophobicContact CE1-CB 3.74Å; F20-R22 HydrophobicContact CE1-CG 4.21Å; F20-R22 HydrophobicContact CZ-CB 4.5Å; F20-R22 PolarHBondContact O-N 3.19Å; F20-H25 AromaticContact CD2-CD2 3.9Å; F20-H25 AromaticContact CD2-NE2 3.83Å; F20-H25 AromaticContact CE2-CD2 3.22Å; F20-H25 WeakPolarHBondContact CE2-CD2 3.44Å; F20-H25 AromaticContact CE2-NE2 3.48Å; F20-H25 WeakPolarHBondContact CE2-NE2 3.15Å; F20-H25 AromaticContact CZ-CD2 3.64Å; F20-L61 HydrophobicContact CE1-CD2 3.84Å; F20-L61 HydrophobicContact CZ-CD2 3.6Å; F20-L299 HydrophobicContact CB-CD2 4.23Å; F20-L299 HydrophobicContact CD2-CD2 4.23Å; F20-F309 HydrophobicContact CD2-CZ 4.03Å; F20-F309 AromaticContact CE2-CE2 3.98Å; F20-F309 HydrophobicContact CE2-CE2 3.98Å; F20-F309 AromaticContact CE2-CZ 3.91Å; F20-F309 HydrophobicContact CE2-CZ 3.91Å; F20-I326 HydrophobicContact CE2-CG1 4.22Å; F20-I326 HydrophobicContact CZ-CG1 4.23Å; F20-L329 HydrophobicContact CD2-CD1 3.83Å; F20-L329 HydrophobicContact CE2-CD1 4.04Å; F20-E334 HydrophobicContact CD1-CG 4.47Å; F20-E334 HydrophobicContact CG-CG 4.5Å; F20-I337 HydrophobicContact CD1-CD1 4.12Å; F20-I337 HydrophobicContact CD1-CG1 4.21Å; F20-I337 HydrophobicContact CE1-CD1 3.62Å; F20-I337 HydrophobicContact CE1-CG1 3.58Å; F20-I337 HydrophobicContact CE2-CD1 4.09Å; F20-I337 HydrophobicContact CZ-CD1 3.61Å; F20-I337 HydrophobicContact CZ-CG1 3.98Å
21L98.4Very high80.4Confident38 Ų3876.9 Ų76.920%0.19942%0.418CS..  trans-89.259.7-172.3-60.4176.5000112D23 R24 H25 R304L21-D23 VanDerWaalsContact C-N 3.34Å; L21-D23 PolarHBondContact O-N 3.26Å; L21-D23 VanDerWaalsContact O-N 3.12Å; L21-R24 HydrophobicContact CB-CB 4.2Å; L21-R24 HydrophobicContact CB-CG 4.28Å; L21-R24 WeakPolarHBondContact O-CB 3.41Å; L21-R24 PolarHBondContact O-N 3.05Å; L21-H25 VanDerWaalsContact C-CD2 3.46Å; L21-H25 PolarHBondContact O-CD2 2.87Å; L21-H25 PolarHBondContact O-N 3.42Å; L21-R304 HydrophobicContact CD1-CB 3.9Å; L21-R304 HydrophobicContact CD1-CG 3.89Å
22R98.7Very high83.6Confident76 Ų7675 Ų7529%0.28740%0.396SS..Hα-helixtrans-39.4-55.7-173.5-179.1178.5173.5-81.34.8113.8F20 R24 H25 V26 L61 D62 S63F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 HydrophobicContact CD1-CB 4.1Å; F20-R22 HydrophobicContact CE1-CB 3.74Å; F20-R22 HydrophobicContact CE1-CG 4.21Å; F20-R22 HydrophobicContact CZ-CB 4.5Å; F20-R22 PolarHBondContact O-N 3.19Å; R22-R24 PolarHBondContact O-N 3.24Å; R22-H25 WeakPolarHBondContact O-CA 3.45Å; R22-H25 WeakPolarHBondContact O-CB 3.18Å; R22-H25 PolarHBondContact O-N 3.17Å; R22-V26 HydrophobicContact CG-CG2 4.45Å; R22-V26 PolarHBondContact O-N 3.04Å; R22-L61 HydrophobicContact CG-CD2 4.39Å; R22-L61 PolarHBondContact NE-O 2.91Å; R22-L61 PolarHBondContact NH2-O 2.79Å; R22-D62 PolarHBondContact NH2-O 3.42Å; R22-S63 PolarHBondContact NH2-OG 2.84Å
23D98.6Very high86.2Confident97 Ų9771.5 Ų71.552%0.51937%0.367SS..Hα-helixtrans-67.8-22.2-174.1-57.8-29000113.7L21 R27L21-D23 VanDerWaalsContact C-N 3.34Å; L21-D23 PolarHBondContact O-N 3.26Å; L21-D23 VanDerWaalsContact O-N 3.12Å; D23-R27 WeakPolarHBondContact O-CG 3.4Å; D23-R27 PolarHBondContact O-N 2.85Å; D23-R27 PolarHBondContact O-NE 3.13Å
24R98.6Very high88.9Confident92 Ų9274 Ų7435%0.34736%0.357SS..Hα-helixtrans-74.6-37.7171.5-66-168.9-174.7-101.11.5110.9L21 R22 R27 F28 R31 R304 L305L21-R24 HydrophobicContact CB-CB 4.2Å; L21-R24 HydrophobicContact CB-CG 4.28Å; L21-R24 WeakPolarHBondContact O-CB 3.41Å; L21-R24 PolarHBondContact O-N 3.05Å; R22-R24 PolarHBondContact O-N 3.24Å; R24-R27 PolarHBondContact O-N 2.93Å; R24-F28 WeakPolarHBondContact O-CB 3.09Å; R24-F28 PolarHBondContact O-N 3.39Å; R24-R31 PolarHBondContact O-NH2 3.09Å; R24-R304 WeakPolarHBondContact CD-O 3.18Å; R24-R304 PolarHBondContact NE-O 3.37Å; R24-R304 PolarHBondContact NH1-O 3.35Å; R24-L305 PolarHBondContact NH1-O 3.02Å
25H98.9Very high91.6Very high0 Ų072.5 Ų72.50%035%0.353CS..Hα-helixtrans-66.7-41.7174.5-60.3-65.4000112.1F20 L21 R22 R27 F28 F29 L61 Q302 G308 F309 I326F20-H25 AromaticContact CD2-CD2 3.9Å; F20-H25 AromaticContact CD2-NE2 3.83Å; F20-H25 AromaticContact CE2-CD2 3.22Å; F20-H25 WeakPolarHBondContact CE2-CD2 3.44Å; F20-H25 AromaticContact CE2-NE2 3.48Å; F20-H25 WeakPolarHBondContact CE2-NE2 3.15Å; F20-H25 AromaticContact CZ-CD2 3.64Å; L21-H25 VanDerWaalsContact C-CD2 3.46Å; L21-H25 PolarHBondContact O-CD2 2.87Å; L21-H25 PolarHBondContact O-N 3.42Å; R22-H25 WeakPolarHBondContact O-CA 3.45Å; R22-H25 WeakPolarHBondContact O-CB 3.18Å; R22-H25 PolarHBondContact O-N 3.17Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 3.22Å; H25-F28 WeakPolarHBondContact O-CA 3.44Å; H25-F28 WeakPolarHBondContact O-CB 3.43Å; H25-F28 PolarHBondContact O-N 2.87Å; H25-F29 WeakPolarHBondContact O-CD2 3.23Å; H25-F29 PolarHBondContact O-N 3Å; H25-L61 HydrophobicContact CB-CD1 3.73Å; H25-Q302 PolarHBondContact NE2-OE1 2.86Å; H25-G308 PolarHBondContact CE1-N 2.92Å; H25-G308 PolarHBondContact CE1-O 3.03Å; H25-G308 WeakPolarHBondContact ND1-CA 3.44Å; H25-G308 PolarHBondContact ND1-N 3.39Å; H25-F309 AromaticContact CE1-CD2 3.62Å; H25-F309 AromaticContact CE1-CE2 3.14Å; H25-F309 WeakPolarHBondContact CE1-CE2 3.45Å; H25-F309 AromaticContact CE1-CZ 3.6Å; H25-F309 AromaticContact ND1-CD2 3.95Å; H25-F309 AromaticContact ND1-CE2 3.64Å; H25-F309 AromaticContact NE2-CE2 3.53Å; H25-F309 AromaticContact NE2-CZ 3.66Å; H25-I326 HydrophobicContact CB-CD1 4.14Å
26V98.9Very high93.9Very high10 Ų1071.9 Ų71.96%0.06133%0.333CS..Hα-helixtrans-57.1-48.2173.21740000110.7R22 F28 F29 Q30 L58 L61 S63 V66R22-V26 HydrophobicContact CG-CG2 4.45Å; R22-V26 PolarHBondContact O-N 3.04Å; V26-F28 VanDerWaalsContact C-N 3.26Å; V26-F28 PolarHBondContact O-N 3.46Å; V26-F29 PolarHBondContact O-N 3.4Å; V26-Q30 WeakPolarHBondContact O-CG 3.37Å; V26-Q30 PolarHBondContact O-N 2.91Å; V26-Q30 VanDerWaalsContact O-N 3.12Å; V26-L58 HydrophobicContact CB-CD2 4.38Å; V26-L58 HydrophobicContact CG1-CD2 3.86Å; V26-L61 HydrophobicContact CG2-CB 4.12Å; V26-L61 HydrophobicContact CG2-CD1 3.84Å; V26-S63 WeakPolarHBondContact CG2-OG 3.45Å; V26-V66 HydrophobicContact CG1-CG1 4.36Å; V26-V66 HydrophobicContact CG1-CG2 4.46Å
27R98.9Very high96Very high129 Ų12967.9 Ų67.949%0.48732%0.32SS..Hα-helixtrans-63.2-32.1174.5-75.4179.1-76.6179.7-6.9112.6D23 R24 H25 Q30 R31D23-R27 WeakPolarHBondContact O-CG 3.4Å; D23-R27 PolarHBondContact O-N 2.85Å; D23-R27 PolarHBondContact O-NE 3.13Å; R24-R27 PolarHBondContact O-N 2.93Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 3.22Å; R27-Q30 PolarHBondContact O-N 3.4Å; R27-R31 PolarHBondContact O-N 2.92Å; R27-R31 VanDerWaalsContact O-N 3.14Å; R27-R31 PolarHBondContact O-NE 3.4Å; R27-R31 PolarHBondContact O-NH2 3.49Å
28F98.9Very high97.5Very high21 Ų2167.6 Ų67.69%0.09233%0.327CS..Hα-helixtrans-64.9-49.3-179.4179.8-90000110.3R24 H25 V26 Q30 R31 C32 G307 P317 A322R24-F28 WeakPolarHBondContact O-CB 3.09Å; R24-F28 PolarHBondContact O-N 3.39Å; H25-F28 WeakPolarHBondContact O-CA 3.44Å; H25-F28 WeakPolarHBondContact O-CB 3.43Å; H25-F28 PolarHBondContact O-N 2.87Å; V26-F28 VanDerWaalsContact C-N 3.26Å; V26-F28 PolarHBondContact O-N 3.46Å; F28-Q30 VanDerWaalsContact C-N 3.35Å; F28-Q30 PolarHBondContact O-N 3.29Å; F28-R31 PolarHBondContact O-N 3.42Å; F28-C32 PolarHBondContact O-N 3.06Å; F28-C32 VanDerWaalsContact O-N 3.09Å; F28-C32 PolarHBondContact O-SG 3.05Å; F28-C32 VanDerWaalsContact O-SG 3.34Å; F28-G307 WeakPolarHBondContact CD2-O 3.45Å; F28-G307 WeakPolarHBondContact CE2-O 3.22Å; F28-P317 HydrophobicContact CE2-CB 4.12Å; F28-P317 HydrophobicContact CE2-CG 4.05Å; F28-P317 HydrophobicContact CZ-CB 4.28Å; F28-A322 HydrophobicContact CD1-CB 3.9Å; F28-A322 HydrophobicContact CE1-CB 3.53Å; F28-A322 HydrophobicContact CZ-CB 4.36Å
29F98.9Very high98.2Very high1 Ų174.8 Ų74.80%0.00435%0.351CS..Hα-helixtrans-66.1-34.7176.4-65-50000113.6H25 V26 R31 C32 L33 A54 L58 L61 A322 I326H25-F29 WeakPolarHBondContact O-CD2 3.23Å; H25-F29 PolarHBondContact O-N 3Å; V26-F29 PolarHBondContact O-N 3.4Å; F29-R31 VanDerWaalsContact C-N 3.33Å; F29-R31 PolarHBondContact O-N 3.21Å; F29-C32 WeakPolarHBondContact O-CB 3.26Å; F29-C32 PolarHBondContact O-N 3.11Å; F29-L33 PolarHBondContact O-N 2.63Å; F29-A54 HydrophobicContact CB-CB 4.01Å; F29-A54 HydrophobicContact CD1-CB 4.05Å; F29-A54 HydrophobicContact CG-CB 4.41Å; F29-L58 HydrophobicContact CB-CD1 4.2Å; F29-L58 HydrophobicContact CB-CD2 3.97Å; F29-L58 HydrophobicContact CB-CG 3.72Å; F29-L58 HydrophobicContact CD2-CG 4.47Å; F29-L58 HydrophobicContact CG-CG 4.49Å; F29-L61 HydrophobicContact CD2-CD1 4.26Å; F29-L61 HydrophobicContact CE2-CD1 4.11Å; F29-A322 HydrophobicContact CE1-CB 3.76Å; F29-A322 HydrophobicContact CZ-CB 3.87Å; F29-I326 HydrophobicContact CE2-CD1 3.44Å; F29-I326 VanDerWaalsContact CE2-CD1 3.44Å; F29-I326 HydrophobicContact CZ-CD1 3.75Å
30Q98.8Very high98.4Very high52 Ų5274.2 Ų74.224%0.24334%0.342CS..Hα-helixtrans-56.9-46.1171.1-77.5179.681.100111.9V26 R27 F28 C32 L33 Q34 V66V26-Q30 WeakPolarHBondContact O-CG 3.37Å; V26-Q30 PolarHBondContact O-N 2.91Å; V26-Q30 VanDerWaalsContact O-N 3.12Å; R27-Q30 PolarHBondContact O-N 3.4Å; F28-Q30 VanDerWaalsContact C-N 3.35Å; F28-Q30 PolarHBondContact O-N 3.29Å; Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 2.72Å; Q30-L33 PolarHBondContact O-N 3.43Å; Q30-Q34 VanDerWaalsContact O-CG 3.31Å; Q30-Q34 WeakPolarHBondContact O-CG 3.5Å; Q30-Q34 PolarHBondContact O-N 2.89Å; Q30-V66 HydrophobicContact CG-CB 4.38Å; Q30-V66 HydrophobicContact CG-CG2 3.54Å
31R98.8Very high98.3Very high96 Ų9677 Ų7736%0.36236%0.364SS..Hα-helixtrans-63.9-36.5177.3-73.9164.5-71.6-178.1-4112.2R24 R27 F28 F29 L33 Q34 V306R24-R31 PolarHBondContact O-NH2 3.09Å; R27-R31 PolarHBondContact O-N 2.92Å; R27-R31 VanDerWaalsContact O-N 3.14Å; R27-R31 PolarHBondContact O-NE 3.4Å; R27-R31 PolarHBondContact O-NH2 3.49Å; F28-R31 PolarHBondContact O-N 3.42Å; F29-R31 VanDerWaalsContact C-N 3.33Å; F29-R31 PolarHBondContact O-N 3.21Å; R31-L33 PolarHBondContact O-N 2.9Å; R31-Q34 PolarHBondContact O-N 3.24Å; R31-V306 VanDerWaalsContact CZ-O 3.23Å; R31-V306 PolarHBondContact NH1-O 3.12Å; R31-V306 PolarHBondContact NH2-O 2.97Å
32C98.6Very high98.3Very high20 Ų2079.8 Ų79.814%0.13539%0.388CS..Hα-helixtrans-62.6-29.7176.2-65.10000113.4F28 F29 Q30 A54F28-C32 PolarHBondContact O-N 3.06Å; F28-C32 VanDerWaalsContact O-N 3.09Å; F28-C32 PolarHBondContact O-SG 3.05Å; F28-C32 VanDerWaalsContact O-SG 3.34Å; F29-C32 WeakPolarHBondContact O-CB 3.26Å; F29-C32 PolarHBondContact O-N 3.11Å; Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 2.72Å; C32-A54 HydrophobicContact CB-CB 3.98Å
33L98.5Very high98.3Very high48 Ų4878.6 Ų78.625%0.25139%0.387SS..THydrogen-bonded Turntrans-86.6-7.6178.4-67.9170.9000113.8F29 Q30 R31 A51 A54 L55 L58 V67 I72F29-L33 PolarHBondContact O-N 2.63Å; Q30-L33 PolarHBondContact O-N 3.43Å; R31-L33 PolarHBondContact O-N 2.9Å; L33-A51 HydrophobicContact CD2-CB 4.05Å; L33-A54 HydrophobicContact CD1-CB 4.04Å; L33-A54 HydrophobicContact CD2-CB 3.83Å; L33-A54 HydrophobicContact CG-CB 3.62Å; L33-L55 HydrophobicContact CD1-CD2 3.74Å; L33-L55 HydrophobicContact CD1-CG 4.23Å; L33-L55 HydrophobicContact CD2-CD2 4.41Å; L33-L55 HydrophobicContact CD2-CG 4.16Å; L33-L58 HydrophobicContact CD1-CD1 3.92Å; L33-V67 HydrophobicContact CD1-CG1 3.83Å; L33-I72 HydrophobicContact CD1-CD1 4.5Å
34Q97.4Very high98.3Very high136 Ų13677 Ų7764%0.63638%0.376SS*.THydrogen-bonded Turntrans-92.5-94.9-179.6-69.4166.2-3.300110.4Q30 R31Q30-Q34 VanDerWaalsContact O-CG 3.31Å; Q30-Q34 WeakPolarHBondContact O-CG 3.5Å; Q30-Q34 PolarHBondContact O-N 2.89Å; R31-Q34 PolarHBondContact O-N 3.24Å
35V97.3Very high98.3Very high125 Ų12576.2 Ų76.276%0.75838%0.382SS*.  trans-131.1132.5-174.8-179.70000108.5
36L97.2Very high98.3Very high58 Ų5877.6 Ų77.630%0.30439%0.391SS..  trans-103137.5174.8-58.9179.4000109.7Y40 I50L36-Y40 HydrophobicContact CB-CD2 4.16Å; L36-Y40 HydrophobicContact CB-CG 4.47Å; L36-I50 HydrophobicContact CD1-CG2 4.3Å
37P97.8Very high98.3Very high73 Ų7381.4 Ų81.447%0.47440%0.404SS..  trans-58.7152.7171.5-22.730.3000112.5R39 Y40P37-R39 HydrophobicContact CB-CG 4.19Å; P37-R39 PolarHBondContact O-N 2.98Å; P37-Y40 HydrophobicContact CB-CD2 4.27Å; P37-Y40 HydrophobicContact CB-CE2 4.44Å; P37-Y40 HydrophobicContact CG-CD2 4.29Å; P37-Y40 HydrophobicContact CG-CE2 4.13Å; P37-Y40 WeakPolarHBondContact O-CB 3.23Å; P37-Y40 WeakPolarHBondContact O-CD2 3.44Å; P37-Y40 PolarHBondContact O-N 3.02Å
38E98.1Very high98.3Very high176 Ų17675.2 Ų75.282%0.82238%0.381SS*.G310 helixtrans-53.7-27.1-178.5-176.9-176.6-140.800114.1Y40 S41E38-Y40 PolarHBondContact O-N 2.91Å; E38-S41 WeakPolarHBondContact O-CB 3.15Å; E38-S41 PolarHBondContact O-N 3.41Å; E38-S41 PolarHBondContact O-OG 2.68Å; E38-S41 VanDerWaalsContact O-OG 3.12Å
39R97.7Very high98.3Very high197 Ų19775.5 Ų75.574%0.74338%0.384SS*.G310 helixtrans-55.7-16.9174.675.9-177.164.6-176.8-1114P37P37-R39 HydrophobicContact CB-CG 4.19Å; P37-R39 PolarHBondContact O-N 2.98Å
40Y98.3Very high98.3Very high87 Ų8776.3 Ų76.334%0.34139%0.389SS..G310 helixtrans-96.312.1176.1-62.3-75.6000113.4L36 P37 E38 S42 L43L36-Y40 HydrophobicContact CB-CD2 4.16Å; L36-Y40 HydrophobicContact CB-CG 4.47Å; P37-Y40 HydrophobicContact CB-CD2 4.27Å; P37-Y40 HydrophobicContact CB-CE2 4.44Å; P37-Y40 HydrophobicContact CG-CD2 4.29Å; P37-Y40 HydrophobicContact CG-CE2 4.13Å; P37-Y40 WeakPolarHBondContact O-CB 3.23Å; P37-Y40 WeakPolarHBondContact O-CD2 3.44Å; P37-Y40 PolarHBondContact O-N 3.02Å; E38-Y40 PolarHBondContact O-N 2.91Å; Y40-S42 PolarHBondContact O-N 3.42Å; Y40-S42 VanDerWaalsContact O-N 3.16Å; Y40-L43 HydrophobicContact CD1-CD1 3.83Å; Y40-L43 HydrophobicContact CG-CD1 4.46Å; Y40-L43 VanDerWaalsContact O-CB 3.3Å; Y40-L43 WeakPolarHBondContact O-CB 3.46Å; Y40-L43 PolarHBondContact O-N 3.42Å
41S98.1Very high98.3Very high84 Ų8474.1 Ų74.159%0.58738%0.38SS*.G310 helixtrans-58-27.5179.757.90000113.7E38 L43 E44E38-S41 WeakPolarHBondContact O-CB 3.15Å; E38-S41 PolarHBondContact O-N 3.41Å; E38-S41 PolarHBondContact O-OG 2.68Å; E38-S41 VanDerWaalsContact O-OG 3.12Å; S41-L43 PolarHBondContact O-N 3.37Å; S41-L43 VanDerWaalsContact O-N 3.14Å; S41-E44 VanDerWaalsContact O-CB 3.28Å; S41-E44 WeakPolarHBondContact O-CB 3.44Å; S41-E44 PolarHBondContact O-N 3.24Å
42S98.5Very high98.3Very high98 Ų9869.7 Ų69.769%0.68536%0.363SS*.G310 helixtrans-63.1-15.4172.659.70000113.8Y40Y40-S42 PolarHBondContact O-N 3.42Å; Y40-S42 VanDerWaalsContact O-N 3.16Å
43L98.3Very high98.4Very high51 Ų5169.5 Ų69.527%0.26736%0.36SS..G310 helixtrans-931.4176.4-56.3176.6000112.8Y40 S41 T45 S46 R47 I50Y40-L43 HydrophobicContact CD1-CD1 3.83Å; Y40-L43 HydrophobicContact CG-CD1 4.46Å; Y40-L43 VanDerWaalsContact O-CB 3.3Å; Y40-L43 WeakPolarHBondContact O-CB 3.46Å; Y40-L43 PolarHBondContact O-N 3.42Å; S41-L43 PolarHBondContact O-N 3.37Å; S41-L43 VanDerWaalsContact O-N 3.14Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.32Å; L43-S46 CarbonylContact O-C 3.58Å; L43-S46 WeakPolarHBondContact O-CA 3.48Å; L43-S46 PolarHBondContact O-N 3.47Å; L43-S46 PolarHBondContact O-OG 2.94Å; L43-R47 PolarHBondContact O-N 3.18Å; L43-I50 HydrophobicContact CB-CG1 4.47Å; L43-I50 HydrophobicContact CD1-CD1 3.91Å; L43-I50 HydrophobicContact CD1-CG1 4.21Å
44E98.8Very high98.4Very high62 Ų6267.2 Ų67.229%0.2935%0.348SS..G310 helixtrans-52.3-50.1-174.9179.855.3-136.700111.9S41 S46 R47 S98S41-E44 VanDerWaalsContact O-CB 3.28Å; S41-E44 WeakPolarHBondContact O-CB 3.44Å; S41-E44 PolarHBondContact O-N 3.24Å; E44-S46 PolarHBondContact O-N 2.92Å; E44-S46 VanDerWaalsContact O-N 3.08Å; E44-R47 WeakPolarHBondContact O-CG 3.33Å; E44-R47 PolarHBondContact O-N 3.14Å; E44-R47 WeakPolarHBondContact OE1-CD 3.39Å; E44-R47 IonicContact OE1-CZ 3.69Å; E44-R47 IonicContact OE1-NH1 3.27Å; E44-R47 PolarHBondContact OE1-NH1 3.44Å; E44-R47 WeakPolarHBondContact OE2-CD 3.4Å; E44-R47 IonicContact OE2-NH1 2.65Å; E44-R47 PolarHBondContact OE2-NH1 2.8Å; E44-S98 WeakPolarHBondContact O-CB 3.44Å; E44-S98 PolarHBondContact O-OG 2.68Å; E44-S98 WeakPolarHBondContact OE1-CB 3.42Å; E44-S98 PolarHBondContact OE1-OG 3.31Å
45T98.7Very high98.4Very high77 Ų7760.8 Ų60.847%0.47232%0.318SS..G310 helixtrans-74.12.8-179.358.70000114.1L43 G97 Y100L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.32Å; T45-G97 WeakPolarHBondContact O-CA 3.21Å; T45-Y100 HydrophobicContact CG2-CD1 4.1Å; T45-Y100 HydrophobicContact CG2-CD2 4.44Å; T45-Y100 HydrophobicContact CG2-CE1 4.04Å; T45-Y100 HydrophobicContact CG2-CE2 4.37Å; T45-Y100 HydrophobicContact CG2-CG 4.31Å
46S98.6Very high98.5Very high29 Ų2954.8 Ų54.820%0.20328%0.282CS..G310 helixtrans-134.819.1-180590000113.4L43 E44 L48 T49 I50L43-S46 CarbonylContact O-C 3.58Å; L43-S46 WeakPolarHBondContact O-CA 3.48Å; L43-S46 PolarHBondContact O-N 3.47Å; L43-S46 PolarHBondContact O-OG 2.94Å; E44-S46 PolarHBondContact O-N 2.92Å; E44-S46 VanDerWaalsContact O-N 3.08Å; S46-L48 PolarHBondContact O-N 2.77Å; S46-L48 VanDerWaalsContact O-N 3.15Å; S46-T49 WeakPolarHBondContact O-CB 3.48Å; S46-T49 PolarHBondContact O-N 2.97Å; S46-I50 PolarHBondContact O-N 3.11Å
47R98.8Very high98.6Very high89 Ų8952 Ų5234%0.33627%0.267SS..Hα-helixtrans-55.5-33179.2-77168.960-169.12.7113.2L43 E44 T49 I50 A51 G97L43-R47 PolarHBondContact O-N 3.18Å; E44-R47 WeakPolarHBondContact O-CG 3.33Å; E44-R47 PolarHBondContact O-N 3.14Å; E44-R47 WeakPolarHBondContact OE1-CD 3.39Å; E44-R47 IonicContact OE1-CZ 3.69Å; E44-R47 IonicContact OE1-NH1 3.27Å; E44-R47 PolarHBondContact OE1-NH1 3.44Å; E44-R47 WeakPolarHBondContact OE2-CD 3.4Å; E44-R47 IonicContact OE2-NH1 2.65Å; E44-R47 PolarHBondContact OE2-NH1 2.8Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 3.37Å; R47-I50 WeakPolarHBondContact O-CB 3.13Å; R47-I50 PolarHBondContact O-N 3.11Å; R47-I50 VanDerWaalsContact O-N 3.11Å; R47-A51 PolarHBondContact O-N 3.2Å; R47-G97 PolarHBondContact N-O 3.1Å
48L98.9Very high98.7Very high0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-62.6-33.4174.7-172.154.6000113.3S46 A51 F52 W75 I76 L79 F95 R96 G97 M124S46-L48 PolarHBondContact O-N 2.77Å; S46-L48 VanDerWaalsContact O-N 3.15Å; L48-A51 PolarHBondContact O-N 2.77Å; L48-F52 PolarHBondContact O-N 3.28Å; L48-W75 HydrophobicContact CB-CH2 4.48Å; L48-W75 HydrophobicContact CD1-CH2 3.97Å; L48-W75 HydrophobicContact CD1-CZ3 3.81Å; L48-I76 HydrophobicContact CD1-CG1 4.04Å; L48-I76 HydrophobicContact CD1-CG2 4.4Å; L48-L79 HydrophobicContact CB-CD1 4.22Å; L48-L79 HydrophobicContact CD1-CD1 4.16Å; L48-L79 HydrophobicContact CD2-CD1 4.07Å; L48-L79 HydrophobicContact CG-CD1 4.39Å; L48-F95 HydrophobicContact CD2-CB 4.16Å; L48-R96 WeakPolarHBondContact CD2-O 3.3Å; L48-G97 PolarHBondContact N-O 3.2Å; L48-M124 HydrophobicContact CB-SD 4.11Å; L48-M124 HydrophobicContact CD2-CB 4.18Å; L48-M124 WeakPolarHBondContact CD2-O 3.29Å
49T98.9Very high98.7Very high26 Ų2640.2 Ų40.216%0.1621%0.206CC..Hα-helixtrans-71.5-34.2172.4-610000111.9S46 R47 F52 F53 M124 T127S46-T49 WeakPolarHBondContact O-CB 3.48Å; S46-T49 PolarHBondContact O-N 2.97Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 3.37Å; T49-F52 WeakPolarHBondContact O-CB 3.22Å; T49-F52 PolarHBondContact O-N 2.89Å; T49-F53 HydrophobicContact CG2-CD2 4.27Å; T49-F53 HydrophobicContact CG2-CE1 4.39Å; T49-F53 HydrophobicContact CG2-CE2 3.64Å; T49-F53 HydrophobicContact CG2-CZ 3.71Å; T49-F53 WeakPolarHBondContact O-CD2 3.14Å; T49-F53 WeakPolarHBondContact O-CG 3.49Å; T49-F53 PolarHBondContact O-N 3.35Å; T49-M124 WeakPolarHBondContact OG1-CE 3.48Å; T49-T127 HydrophobicContact CG2-CG2 4.29Å; T49-T127 PolarHBondContact OG1-OG1 2.76Å
50I98.9Very high98.8Very high19 Ų1930.9 Ų30.910%0.09717%0.17CC..Hα-helixtrans-65.8-41.6172.8-54.9-55.5000110.9L36 L43 S46 R47 F52 F53 A54 A319L36-I50 HydrophobicContact CD1-CG2 4.3Å; L43-I50 HydrophobicContact CB-CG1 4.47Å; L43-I50 HydrophobicContact CD1-CD1 3.91Å; L43-I50 HydrophobicContact CD1-CG1 4.21Å; S46-I50 PolarHBondContact O-N 3.11Å; R47-I50 WeakPolarHBondContact O-CB 3.13Å; R47-I50 PolarHBondContact O-N 3.11Å; R47-I50 VanDerWaalsContact O-N 3.11Å; I50-F52 VanDerWaalsContact C-N 3.32Å; I50-F52 PolarHBondContact O-N 2.88Å; I50-F53 HydrophobicContact CD1-CD2 4.24Å; I50-F53 PolarHBondContact O-N 3.31Å; I50-A54 PolarHBondContact O-N 3.08Å; I50-A54 VanDerWaalsContact O-N 3.07Å; I50-A319 HydrophobicContact CG2-CB 4.15Å
51A98.9Very high98.8Very high6 Ų626.7 Ų26.75%0.0515%0.154CC..Hα-helixtrans-60.2-43.1172.300000111.2L33 R47 L48 F53 A54 L55 W75L33-A51 HydrophobicContact CD2-CB 4.05Å; R47-A51 PolarHBondContact O-N 3.2Å; L48-A51 PolarHBondContact O-N 2.77Å; A51-F53 PolarHBondContact O-N 2.91Å; A51-A54 PolarHBondContact O-N 2.87Å; A51-L55 VanDerWaalsContact O-CB 3.3Å; A51-L55 WeakPolarHBondContact O-CB 3.49Å; A51-L55 WeakPolarHBondContact O-CG 3.24Å; A51-L55 PolarHBondContact O-N 3.37Å; A51-W75 HydrophobicContact CB-CH2 3.85Å; A51-W75 HydrophobicContact CB-CZ3 3.64Å
52F98.9Very high98.8Very high2 Ų227 Ų271%0.00915%0.149CC..Hα-helixtrans-56.7-49.4173.2164.6-98.1000112.8L48 T49 I50 A54 L55 S56 T127 S130 C131 I134 Y323 N345L48-F52 PolarHBondContact O-N 3.28Å; T49-F52 WeakPolarHBondContact O-CB 3.22Å; T49-F52 PolarHBondContact O-N 2.89Å; I50-F52 VanDerWaalsContact C-N 3.32Å; I50-F52 PolarHBondContact O-N 2.88Å; F52-A54 VanDerWaalsContact C-N 3.26Å; F52-A54 PolarHBondContact O-N 2.73Å; F52-L55 PolarHBondContact O-N 3.11Å; F52-S56 WeakPolarHBondContact O-CB 3.24Å; F52-S56 PolarHBondContact O-N 3.44Å; F52-T127 HydrophobicContact CB-CG2 3.85Å; F52-T127 HydrophobicContact CD1-CG2 3.95Å; F52-T127 HydrophobicContact CD2-CG2 4.39Å; F52-T127 HydrophobicContact CG-CG2 3.79Å; F52-S130 WeakPolarHBondContact CE2-OG 3.37Å; F52-C131 WeakPolarHBondContact CA-SG 3.35Å; F52-C131 VanDerWaalsContact CB-SG 3.59Å; F52-I134 HydrophobicContact CD2-CD1 4.22Å; F52-I134 HydrophobicContact CE2-CD1 4.18Å; F52-Y323 HydrophobicContact CE1-CD1 4.5Å; F52-Y323 AromaticContact CE1-CE1 3.94Å; F52-Y323 HydrophobicContact CE1-CE1 3.94Å; F52-Y323 HydrophobicContact CZ-CE1 4.14Å; F52-N345 WeakPolarHBondContact CZ-ND2 3.5Å; F52-N345 WeakPolarHBondContact CZ-O 3.24Å
53F98.9Very high98.8Very high17 Ų1722.7 Ų22.78%0.07512%0.119CC..Hα-helixtrans-59.2-39.9178.5-67.2-38.2000112.2T49 I50 A51 G57 A319 L320 Y323 F324T49-F53 HydrophobicContact CG2-CD2 4.27Å; T49-F53 HydrophobicContact CG2-CE1 4.39Å; T49-F53 HydrophobicContact CG2-CE2 3.64Å; T49-F53 HydrophobicContact CG2-CZ 3.71Å; T49-F53 WeakPolarHBondContact O-CD2 3.14Å; T49-F53 WeakPolarHBondContact O-CG 3.49Å; T49-F53 PolarHBondContact O-N 3.35Å; I50-F53 HydrophobicContact CD1-CD2 4.24Å; I50-F53 PolarHBondContact O-N 3.31Å; A51-F53 PolarHBondContact O-N 2.91Å; F53-G57 WeakPolarHBondContact O-CA 3.32Å; F53-G57 PolarHBondContact O-N 3.1Å; F53-A319 HydrophobicContact CB-CB 4.08Å; F53-A319 HydrophobicContact CD2-CB 4.22Å; F53-L320 HydrophobicContact CD2-CB 4.13Å; F53-L320 HydrophobicContact CE2-CB 3.68Å; F53-L320 HydrophobicContact CE2-CD1 4.08Å; F53-L320 HydrophobicContact CE2-CG 4.03Å; F53-L320 HydrophobicContact CZ-CB 4.05Å; F53-L320 HydrophobicContact CZ-CD1 3.93Å; F53-L320 HydrophobicContact CZ-CG 3.89Å; F53-Y323 HydrophobicContact CB-CG 4.39Å; F53-Y323 AromaticContact CD1-CD1 3.52Å; F53-Y323 HydrophobicContact CD1-CD1 3.52Å; F53-Y323 HydrophobicContact CD1-CE1 4.26Å; F53-Y323 AromaticContact CD1-CG 3.88Å; F53-Y323 HydrophobicContact CD1-CG 3.88Å; F53-Y323 HydrophobicContact CE1-CD1 4.01Å; F53-F324 AromaticContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CZ 4.02Å; F53-F324 HydrophobicContact CZ-CE2 4.16Å
54A98.9Very high98.9Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-72.9-46.817900000113.1F29 C32 L33 I50 A51 F52 G57 L58F29-A54 HydrophobicContact CB-CB 4.01Å; F29-A54 HydrophobicContact CD1-CB 4.05Å; F29-A54 HydrophobicContact CG-CB 4.41Å; C32-A54 HydrophobicContact CB-CB 3.98Å; L33-A54 HydrophobicContact CD1-CB 4.04Å; L33-A54 HydrophobicContact CD2-CB 3.83Å; L33-A54 HydrophobicContact CG-CB 3.62Å; I50-A54 PolarHBondContact O-N 3.08Å; I50-A54 VanDerWaalsContact O-N 3.07Å; A51-A54 PolarHBondContact O-N 2.87Å; F52-A54 VanDerWaalsContact C-N 3.26Å; F52-A54 PolarHBondContact O-N 2.73Å; A54-G57 PolarHBondContact O-N 3.45Å; A54-L58 WeakPolarHBondContact O-CB 3.35Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.34Å; A54-L58 PolarHBondContact O-N 3.35Å
55L98.9Very high98.9Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-67.2-48-179.9-69.3171.4000111.8L33 A51 F52 G57 L58 D59 L64 V67 I72 C131 I134 L135L33-L55 HydrophobicContact CD1-CD2 3.74Å; L33-L55 HydrophobicContact CD1-CG 4.23Å; L33-L55 HydrophobicContact CD2-CD2 4.41Å; L33-L55 HydrophobicContact CD2-CG 4.16Å; A51-L55 VanDerWaalsContact O-CB 3.3Å; A51-L55 WeakPolarHBondContact O-CB 3.49Å; A51-L55 WeakPolarHBondContact O-CG 3.24Å; A51-L55 PolarHBondContact O-N 3.37Å; F52-L55 PolarHBondContact O-N 3.11Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.04Å; L55-L58 PolarHBondContact O-N 2.71Å; L55-D59 WeakPolarHBondContact O-CB 3.45Å; L55-D59 PolarHBondContact O-N 3.28Å; L55-L64 HydrophobicContact CD2-CD2 4.34Å; L55-V67 HydrophobicContact CD2-CG2 4.35Å; L55-I72 HydrophobicContact CD1-CG2 3.94Å; L55-I72 HydrophobicContact CD2-CD1 4.02Å; L55-C131 HydrophobicContact CD1-CB 4.02Å; L55-I134 HydrophobicContact CB-CG2 4.46Å; L55-L135 HydrophobicContact CD1-CD1 3.97Å; L55-L135 HydrophobicContact CD1-CD2 4.46Å; L55-L135 HydrophobicContact CD1-CG 4.29Å; L55-L135 HydrophobicContact CD2-CD2 3.84Å
56S98.9Very high98.9Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-65.4-36.2175.4-164.60000110.5F52 D59 M60 Y323F52-S56 WeakPolarHBondContact O-CB 3.24Å; F52-S56 PolarHBondContact O-N 3.44Å; S56-D59 PolarHBondContact O-N 3.14Å; S56-M60 VanDerWaalsContact O-CB 3.29Å; S56-M60 WeakPolarHBondContact O-CB 3.28Å; S56-M60 WeakPolarHBondContact O-CG 3.44Å; S56-M60 PolarHBondContact O-N 3.47Å; S56-Y323 WeakPolarHBondContact OG-CE2 3.35Å; S56-Y323 PolarHBondContact OG-OH 2.67Å
57G98.9Very high98.8Very high0 Ų022.7 Ų22.70%012%0.118CC..Hα-helixtrans-61.2-43.7171.900000113.4F53 A54 L55 M60 L61F53-G57 WeakPolarHBondContact O-CA 3.32Å; F53-G57 PolarHBondContact O-N 3.1Å; A54-G57 PolarHBondContact O-N 3.45Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.04Å; G57-M60 PolarHBondContact O-N 3.35Å; G57-L61 VanDerWaalsContact O-CG 3.29Å; G57-L61 WeakPolarHBondContact O-CG 3.14Å; G57-L61 PolarHBondContact O-N 3.12Å; G57-L61 VanDerWaalsContact O-N 3.1Å
58L98.9Very high98.8Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-66.7-40.1174.3-72.4169.5000112.1V26 F29 L33 A54 L55 L61 D62 S63 L64 V66 V67V26-L58 HydrophobicContact CB-CD2 4.38Å; V26-L58 HydrophobicContact CG1-CD2 3.86Å; F29-L58 HydrophobicContact CB-CD1 4.2Å; F29-L58 HydrophobicContact CB-CD2 3.97Å; F29-L58 HydrophobicContact CB-CG 3.72Å; F29-L58 HydrophobicContact CD2-CG 4.47Å; F29-L58 HydrophobicContact CG-CG 4.49Å; L33-L58 HydrophobicContact CD1-CD1 3.92Å; A54-L58 WeakPolarHBondContact O-CB 3.35Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.34Å; A54-L58 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 2.71Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 PolarHBondContact O-N 3.49Å; L58-D62 PolarHBondContact O-N 3.44Å; L58-S63 PolarHBondContact O-N 3.34Å; L58-L64 HydrophobicContact CB-CD2 4.05Å; L58-V66 HydrophobicContact CD1-CG2 4.19Å; L58-V66 HydrophobicContact CD2-CG2 4.02Å; L58-V67 HydrophobicContact CD1-CG1 3.78Å
59D98.9Very high98.8Very high1 Ų126.2 Ų26.21%0.00514%0.14CC..Hα-helixtrans-61.1-45.6173.4178.730.1000111.7L55 S56 L61 D62 L64 I134 S347 R349 T350L55-D59 WeakPolarHBondContact O-CB 3.45Å; L55-D59 PolarHBondContact O-N 3.28Å; S56-D59 PolarHBondContact O-N 3.14Å; D59-L61 PolarHBondContact O-N 3.24Å; D59-D62 PolarHBondContact O-N 3.46Å; D59-L64 HydrophobicContact CB-CD1 3.85Å; D59-L64 HydrophobicContact CB-CD2 4.46Å; D59-L64 HydrophobicContact CB-CG 4.01Å; D59-I134 HydrophobicContact CB-CG2 3.84Å; D59-S347 VanDerWaalsContact CG-OG 3.29Å; D59-S347 PolarHBondContact OD1-OG 3.48Å; D59-S347 WeakPolarHBondContact OD2-CB 3.4Å; D59-S347 PolarHBondContact OD2-OG 2.79Å; D59-R349 PolarHBondContact O-NH2 3.45Å; D59-R349 IonicContact OD1-CZ 2.75Å; D59-R349 VanDerWaalsContact OD1-CZ 3.25Å; D59-R349 IonicContact OD1-NE 3.48Å; D59-R349 PolarHBondContact OD1-NE 3.35Å; D59-R349 IonicContact OD1-NH2 2.97Å; D59-R349 PolarHBondContact OD1-NH2 3.42Å; D59-T350 PolarHBondContact OD2-OG1 3.42Å
60M98.9Very high98.8Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-62.4-25.4175.9-74.8-57.8-49.500113.1S56 G57 Y323 I326 S330 I337 C338 V340 S347S56-M60 VanDerWaalsContact O-CB 3.29Å; S56-M60 WeakPolarHBondContact O-CB 3.28Å; S56-M60 WeakPolarHBondContact O-CG 3.44Å; S56-M60 PolarHBondContact O-N 3.47Å; G57-M60 PolarHBondContact O-N 3.35Å; M60-Y323 HydrophobicContact CG-CE2 4.34Å; M60-I326 HydrophobicContact CB-CG2 3.96Å; M60-S330 VanDerWaalsContact CE-OG 3.31Å; M60-S330 WeakPolarHBondContact CE-OG 3.47Å; M60-I337 HydrophobicContact CE-CG2 3.9Å; M60-I337 CarbonylContact O-C 3.54Å; M60-I337 WeakPolarHBondContact O-CA 3.44Å; M60-I337 WeakPolarHBondContact O-CG2 3.32Å; M60-C338 HydrophobicContact CE-CB 4.16Å; M60-C338 WeakPolarHBondContact CE-O 3.2Å; M60-C338 PolarHBondContact O-N 3.09Å; M60-V340 HydrophobicContact CE-CB 3.86Å; M60-V340 HydrophobicContact SD-CB 4.04Å; M60-V340 HydrophobicContact SD-CG2 4.26Å; M60-S347 VanDerWaalsContact SD-CA 3.53Å; M60-S347 VanDerWaalsContact SD-CB 3.55Å
61L98.9Very high98.8Very high0 Ų034.5 Ų34.50%018%0.184CC..THydrogen-bonded Turntrans-97.24.7174.8-63.2175.9000113.2F20 R22 H25 V26 F29 G57 L58 D59 S63 I326 I337F20-L61 HydrophobicContact CE1-CD2 3.84Å; F20-L61 HydrophobicContact CZ-CD2 3.6Å; R22-L61 HydrophobicContact CG-CD2 4.39Å; R22-L61 PolarHBondContact NE-O 2.91Å; R22-L61 PolarHBondContact NH2-O 2.79Å; H25-L61 HydrophobicContact CB-CD1 3.73Å; V26-L61 HydrophobicContact CG2-CB 4.12Å; V26-L61 HydrophobicContact CG2-CD1 3.84Å; F29-L61 HydrophobicContact CD2-CD1 4.26Å; F29-L61 HydrophobicContact CE2-CD1 4.11Å; G57-L61 VanDerWaalsContact O-CG 3.29Å; G57-L61 WeakPolarHBondContact O-CG 3.14Å; G57-L61 PolarHBondContact O-N 3.12Å; G57-L61 VanDerWaalsContact O-N 3.1Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 PolarHBondContact O-N 3.49Å; D59-L61 PolarHBondContact O-N 3.24Å; L61-S63 PolarHBondContact O-OG 3.42Å; L61-I326 HydrophobicContact CD1-CD1 3.85Å; L61-I326 HydrophobicContact CD2-CD1 4.2Å; L61-I326 HydrophobicContact CD2-CG2 4.18Å; L61-I326 HydrophobicContact CG-CD1 4.19Å; L61-I337 HydrophobicContact CD2-CG1 4.03Å
62D98.8Very high98.8Very high91 Ų9135.4 Ų35.449%0.48719%0.188SC..THydrogen-bonded Turntrans52.557.3-174.5-162.939.8000112.4R22 L58 D59 R349R22-D62 PolarHBondContact NH2-O 3.42Å; L58-D62 PolarHBondContact O-N 3.44Å; D59-D62 PolarHBondContact O-N 3.46Å; D62-R349 IonicContact OD1-CZ 3.58Å; D62-R349 VanDerWaalsContact OD1-CZ 3.24Å; D62-R349 IonicContact OD1-NH1 3.76Å; D62-R349 PolarHBondContact OD1-NH1 3.32Å; D62-R349 IonicContact OD1-NH2 3.47Å; D62-R349 PolarHBondContact OD1-NH2 3.19Å
63S98.8Very high98.8Very high6 Ų635.9 Ų35.94%0.04219%0.19CC..  trans-144.132.1-176.1-600000112.5R22 V26 L58 L61 D65 V66R22-S63 PolarHBondContact NH2-OG 2.84Å; V26-S63 WeakPolarHBondContact CG2-OG 3.45Å; L58-S63 PolarHBondContact O-N 3.34Å; L61-S63 PolarHBondContact O-OG 3.42Å; S63-D65 VanDerWaalsContact C-OD1 3.3Å; S63-D65 VanDerWaalsContact CA-OD1 3.25Å; S63-D65 WeakPolarHBondContact CA-OD1 3.25Å; S63-D65 PolarHBondContact O-N 3.09Å; S63-V66 WeakPolarHBondContact O-CG2 3.44Å; S63-V66 PolarHBondContact O-N 3.18Å
64L98.7Very high98.8Very high14 Ų1437.3 Ų37.37%0.07320%0.197CC..G310 helixtrans-71.8-10.6174-80.2178.9000113.4L55 L58 D59 V66 V67 K69 I134L55-L64 HydrophobicContact CD2-CD2 4.34Å; L58-L64 HydrophobicContact CB-CD2 4.05Å; D59-L64 HydrophobicContact CB-CD1 3.85Å; D59-L64 HydrophobicContact CB-CD2 4.46Å; D59-L64 HydrophobicContact CB-CG 4.01Å; L64-V66 PolarHBondContact O-N 3.18Å; L64-V67 HydrophobicContact CD2-CG2 4.43Å; L64-V67 VanDerWaalsContact O-CG2 3.28Å; L64-V67 WeakPolarHBondContact O-CG2 3.45Å; L64-K69 WeakPolarHBondContact O-CE 3.5Å; L64-I134 HydrophobicContact CD1-CG2 3.77Å; L64-I134 WeakPolarHBondContact CD1-O 3.28Å; L64-I134 HydrophobicContact CD2-CG2 4.2Å
65D98.6Very high98.8Very high127 Ų12740 Ų4068%0.67921%0.207SC*.G310 helixtrans-68-20.5174.258.8-65.6000113S63 V67S63-D65 VanDerWaalsContact C-OD1 3.3Å; S63-D65 VanDerWaalsContact CA-OD1 3.25Å; S63-D65 WeakPolarHBondContact CA-OD1 3.25Å; S63-D65 PolarHBondContact O-N 3.09Å; D65-V67 PolarHBondContact O-N 3.42Å
66V98.6Very high98.8Very high53 Ų5340 Ų4032%0.32121%0.207SC..G310 helixtrans-79.3-1.1-178.9-47.80000113.8V26 Q30 L58 S63 L64V26-V66 HydrophobicContact CG1-CG1 4.36Å; V26-V66 HydrophobicContact CG1-CG2 4.46Å; Q30-V66 HydrophobicContact CG-CB 4.38Å; Q30-V66 HydrophobicContact CG-CG2 3.54Å; L58-V66 HydrophobicContact CD1-CG2 4.19Å; L58-V66 HydrophobicContact CD2-CG2 4.02Å; S63-V66 WeakPolarHBondContact O-CG2 3.44Å; S63-V66 PolarHBondContact O-N 3.18Å; L64-V66 PolarHBondContact O-N 3.18Å
67V98.5Very high98.8Very high25 Ų2540 Ų4015%0.15221%0.207CC..SBendtrans-123.7148.7-179.7-62.30000111L33 L55 L58 L64 D65 K69 I72L33-V67 HydrophobicContact CD1-CG1 3.83Å; L55-V67 HydrophobicContact CD2-CG2 4.35Å; L58-V67 HydrophobicContact CD1-CG1 3.78Å; L64-V67 HydrophobicContact CD2-CG2 4.43Å; L64-V67 VanDerWaalsContact O-CG2 3.28Å; L64-V67 WeakPolarHBondContact O-CG2 3.45Å; D65-V67 PolarHBondContact O-N 3.42Å; V67-K69 PolarHBondContact O-N 3.19Å; V67-I72 HydrophobicContact CB-CD1 3.89Å; V67-I72 HydrophobicContact CG1-CD1 4.46Å; V67-I72 HydrophobicContact CG2-CD1 4.16Å
68N98.5Very high98.8Very high83 Ų8340.7 Ų40.744%0.44421%0.212SC..  trans-77.1103.8169.6-170.8-15.8000109.3D70 D71 I72N68-D70 VanDerWaalsContact C-N 3.35Å; N68-D70 PolarHBondContact O-N 3.38Å; N68-D70 PolarHBondContact OD1-N 3Å; N68-D71 HydrophobicContact CB-CB 4.19Å; N68-D71 VanDerWaalsContact CG-CG 3.5Å; N68-D71 VanDerWaalsContact CG-OD2 3.29Å; N68-D71 PolarHBondContact ND2-OD1 3.34Å; N68-D71 PolarHBondContact ND2-OD2 3.03Å; N68-I72 WeakPolarHBondContact O-CG1 3.38Å; N68-I72 PolarHBondContact O-N 3.44Å
69K98.6Very high98.8Very high81 Ų8140.8 Ų40.835%0.35221%0.212SC..Hα-helixtrans-63.7-40.8-176.7-59.5-177.2-179.5-173.80111.9L64 V67 I72 I73 L135L64-K69 WeakPolarHBondContact O-CE 3.5Å; V67-K69 PolarHBondContact O-N 3.19Å; K69-I72 PolarHBondContact O-N 3.31Å; K69-I73 WeakPolarHBondContact O-CB 3.48Å; K69-I73 WeakPolarHBondContact O-CD1 3.31Å; K69-I73 WeakPolarHBondContact O-CG1 3.29Å; K69-I73 PolarHBondContact O-N 3.36Å; K69-L135 HydrophobicContact CB-CD2 4.16Å; K69-L135 WeakPolarHBondContact CD-O 3.32Å; K69-L135 HydrophobicContact CG-CD2 4.03Å
70D98.6Very high98.8Very high115 Ų11541 Ų4162%0.61521%0.213SC*.Hα-helixtrans-66.1-45-175.4-63.5-36.6000111.4N68 I72 I73 E74N68-D70 VanDerWaalsContact C-N 3.35Å; N68-D70 PolarHBondContact O-N 3.38Å; N68-D70 PolarHBondContact OD1-N 3Å; D70-I72 VanDerWaalsContact C-N 3.3Å; D70-I72 PolarHBondContact O-N 3.48Å; D70-I73 PolarHBondContact O-N 3.31Å; D70-E74 WeakPolarHBondContact O-CG 3.47Å; D70-E74 PolarHBondContact O-N 3.41Å
71D98.6Very high98.8Very high103 Ų10341.1 Ų41.155%0.55121%0.214SC*.Hα-helixtrans-59.9-42.3177.5-69-15000111.7N68 E74 W75N68-D71 HydrophobicContact CB-CB 4.19Å; N68-D71 VanDerWaalsContact CG-CG 3.5Å; N68-D71 VanDerWaalsContact CG-OD2 3.29Å; N68-D71 PolarHBondContact ND2-OD1 3.34Å; N68-D71 PolarHBondContact ND2-OD2 3.03Å; D71-E74 PolarHBondContact O-N 3.24Å; D71-W75 PolarHBondContact O-N 2.84Å
72I98.9Very high98.8Very high26 Ų2642.2 Ų42.213%0.13322%0.219CC..Hα-helixtrans-71.3-38.7-179.6-60.8174000110.4L33 L55 V67 N68 K69 D70 W75 I76 L135L33-I72 HydrophobicContact CD1-CD1 4.5Å; L55-I72 HydrophobicContact CD1-CG2 3.94Å; L55-I72 HydrophobicContact CD2-CD1 4.02Å; V67-I72 HydrophobicContact CB-CD1 3.89Å; V67-I72 HydrophobicContact CG1-CD1 4.46Å; V67-I72 HydrophobicContact CG2-CD1 4.16Å; N68-I72 WeakPolarHBondContact O-CG1 3.38Å; N68-I72 PolarHBondContact O-N 3.44Å; K69-I72 PolarHBondContact O-N 3.31Å; D70-I72 VanDerWaalsContact C-N 3.3Å; D70-I72 PolarHBondContact O-N 3.48Å; I72-W75 HydrophobicContact CG2-CE3 4.37Å; I72-W75 PolarHBondContact O-N 3.17Å; I72-I76 HydrophobicContact CG2-CD1 3.94Å; I72-I76 HydrophobicContact CG2-CG1 4.39Å; I72-I76 VanDerWaalsContact O-CG1 3.27Å; I72-I76 WeakPolarHBondContact O-CG1 3.47Å; I72-I76 PolarHBondContact O-N 2.89Å; I72-L135 HydrophobicContact CB-CD1 4Å; I72-L135 HydrophobicContact CG2-CD1 3.56Å
73I98.9Very high98.8Very high11 Ų1138.4 Ų38.46%0.05620%0.2CC..Hα-helixtrans-59-48.3173.4-75.3165.5000110.2K69 D70 W75 I76 Y77 L132 L135 D137K69-I73 WeakPolarHBondContact O-CB 3.48Å; K69-I73 WeakPolarHBondContact O-CD1 3.31Å; K69-I73 WeakPolarHBondContact O-CG1 3.29Å; K69-I73 PolarHBondContact O-N 3.36Å; D70-I73 PolarHBondContact O-N 3.31Å; I73-W75 VanDerWaalsContact C-N 3.3Å; I73-W75 PolarHBondContact O-N 3.01Å; I73-I76 PolarHBondContact O-N 3.4Å; I73-Y77 HydrophobicContact CG2-CD2 3.74Å; I73-Y77 HydrophobicContact CG2-CE2 3.89Å; I73-Y77 WeakPolarHBondContact O-CD2 3.48Å; I73-Y77 PolarHBondContact O-N 3.26Å; I73-L132 HydrophobicContact CG1-CD2 4.39Å; I73-L132 HydrophobicContact CG2-CD2 4.16Å; I73-L135 HydrophobicContact CD1-CB 3.93Å; I73-L135 HydrophobicContact CG1-CB 3.8Å; I73-L135 HydrophobicContact CG1-CD1 3.83Å; I73-L135 HydrophobicContact CG1-CG 4.45Å; I73-D137 HydrophobicContact CD1-CB 4Å; I73-D137 HydrophobicContact CG1-CB 4.28Å; I73-D137 HydrophobicContact CG2-CB 4.41Å
74E98.8Very high98.7Very high48 Ų4838.7 Ų38.722%0.22420%0.201CC..Hα-helixtrans-60.2-40.7176.9-68.2-60.7102.700111.5D70 D71 Y77 S78 P107 K109 R141D70-E74 WeakPolarHBondContact O-CG 3.47Å; D70-E74 PolarHBondContact O-N 3.41Å; D71-E74 PolarHBondContact O-N 3.24Å; E74-Y77 PolarHBondContact O-N 2.8Å; E74-S78 PolarHBondContact O-N 3.25Å; E74-P107 HydrophobicContact CB-CB 4.27Å; E74-P107 WeakPolarHBondContact O-CB 3.44Å; E74-P107 WeakPolarHBondContact OE2-CB 3.42Å; E74-P107 WeakPolarHBondContact OE2-CG 3.47Å; E74-K109 WeakPolarHBondContact OE2-CE 3.49Å; E74-K109 IonicContact OE2-NZ 2.67Å; E74-K109 PolarHBondContact OE2-NZ 3Å; E74-R141 IonicContact OE1-CZ 3.55Å; E74-R141 IonicContact OE1-NH1 3.61Å; E74-R141 PolarHBondContact OE1-NH1 3.02Å; E74-R141 IonicContact OE1-NH2 2.68Å
75W98.9Very high98.6Very high57 Ų5746.3 Ų46.322%0.21624%0.236CC..Hα-helixtrans-62-46.8174.5172.672.2000112.2L48 A51 D71 I72 I73 Y77 S78 L79L48-W75 HydrophobicContact CB-CH2 4.48Å; L48-W75 HydrophobicContact CD1-CH2 3.97Å; L48-W75 HydrophobicContact CD1-CZ3 3.81Å; A51-W75 HydrophobicContact CB-CH2 3.85Å; A51-W75 HydrophobicContact CB-CZ3 3.64Å; D71-W75 PolarHBondContact O-N 2.84Å; I72-W75 HydrophobicContact CG2-CE3 4.37Å; I72-W75 PolarHBondContact O-N 3.17Å; I73-W75 VanDerWaalsContact C-N 3.3Å; I73-W75 PolarHBondContact O-N 3.01Å; W75-Y77 VanDerWaalsContact C-N 3.32Å; W75-Y77 PolarHBondContact O-N 3.21Å; W75-S78 WeakPolarHBondContact O-CB 3.13Å; W75-S78 PolarHBondContact O-N 3.33Å; W75-S78 VanDerWaalsContact O-N 3.1Å; W75-S78 PolarHBondContact O-OG 3.39Å; W75-L79 HydrophobicContact CH2-CD1 4.04Å; W75-L79 HydrophobicContact CZ2-CD1 3.75Å
76I98.9Very high98.6Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-61-44178.3-65.8160.1000110.4L48 I72 I73 S78 L79 F95 C131 L132 L135L48-I76 HydrophobicContact CD1-CG1 4.04Å; L48-I76 HydrophobicContact CD1-CG2 4.4Å; I72-I76 HydrophobicContact CG2-CD1 3.94Å; I72-I76 HydrophobicContact CG2-CG1 4.39Å; I72-I76 VanDerWaalsContact O-CG1 3.27Å; I72-I76 WeakPolarHBondContact O-CG1 3.47Å; I72-I76 PolarHBondContact O-N 2.89Å; I73-I76 PolarHBondContact O-N 3.4Å; I76-S78 PolarHBondContact O-N 3.18Å; I76-L79 WeakPolarHBondContact O-CA 3.46Å; I76-L79 VanDerWaalsContact O-CB 3.32Å; I76-L79 WeakPolarHBondContact O-CB 3.44Å; I76-L79 PolarHBondContact O-N 3.43Å; I76-F95 HydrophobicContact CG2-CD1 4.23Å; I76-F95 HydrophobicContact CG2-CE1 3.88Å; I76-C131 HydrophobicContact CD1-CB 3.49Å; I76-C131 VanDerWaalsContact CD1-CB 3.49Å; I76-C131 HydrophobicContact CG1-CB 4.48Å; I76-L132 HydrophobicContact CB-CD2 4.11Å; I76-L132 HydrophobicContact CD1-CD2 4.32Å; I76-L132 HydrophobicContact CG2-CD1 4.18Å; I76-L132 HydrophobicContact CG2-CD2 3.9Å; I76-L132 HydrophobicContact CG2-CG 3.82Å; I76-L135 HydrophobicContact CD1-CD1 3.64Å
77Y98.9Very high98.5Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-66.2-23.4177.6-86.7-64000114I73 E74 W75 L79 Q80 S108 L132 D137 R141 V142I73-Y77 HydrophobicContact CG2-CD2 3.74Å; I73-Y77 HydrophobicContact CG2-CE2 3.89Å; I73-Y77 WeakPolarHBondContact O-CD2 3.48Å; I73-Y77 PolarHBondContact O-N 3.26Å; E74-Y77 PolarHBondContact O-N 2.8Å; W75-Y77 VanDerWaalsContact C-N 3.32Å; W75-Y77 PolarHBondContact O-N 3.21Å; Y77-L79 PolarHBondContact O-N 2.95Å; Y77-Q80 PolarHBondContact O-N 3.05Å; Y77-S108 PolarHBondContact O-N 2.83Å; Y77-S108 PolarHBondContact O-OG 2.85Å; Y77-L132 HydrophobicContact CD2-CD2 3.78Å; Y77-L132 HydrophobicContact CE1-CD1 3.97Å; Y77-L132 HydrophobicContact CE2-CD1 3.97Å; Y77-L132 HydrophobicContact CE2-CD2 3.39Å; Y77-L132 HydrophobicContact CE2-CG 4.31Å; Y77-D137 WeakPolarHBondContact CE2-OD2 3.48Å; Y77-D137 PolarHBondContact OH-OD1 3.29Å; Y77-R141 HydrophobicContact CD1-CB 4.04Å; Y77-R141 HydrophobicContact CE1-CB 3.49Å; Y77-R141 VanDerWaalsContact CE1-CB 3.49Å; Y77-R141 HydrophobicContact CE2-CB 4.37Å; Y77-R141 VanDerWaalsContact CE2-NE 3.25Å; Y77-V142 HydrophobicContact CE1-CG2 3.81Å
78S98.9Very high98.5Very high14 Ų1451.9 Ų51.910%0.09826%0.261CS..Hα-helixtrans-66.9-19.8170.682.90000113.5E74 W75 I76 R96 F105 N106E74-S78 PolarHBondContact O-N 3.25Å; W75-S78 WeakPolarHBondContact O-CB 3.13Å; W75-S78 PolarHBondContact O-N 3.33Å; W75-S78 VanDerWaalsContact O-N 3.1Å; W75-S78 PolarHBondContact O-OG 3.39Å; I76-S78 PolarHBondContact O-N 3.18Å; S78-R96 PolarHBondContact O-NH1 2.97Å; S78-F105 VanDerWaalsContact CB-CD2 3.44Å; S78-F105 WeakPolarHBondContact OG-CE2 3.12Å; S78-N106 VanDerWaalsContact CA-O 3.3Å; S78-N106 WeakPolarHBondContact CA-O 3.33Å
79L98.9Very high98.5Very high1 Ų149 Ų491%0.00525%0.246CC..THydrogen-bonded Turntrans-89.7-8.4179-55.3-179.8000112.9L48 W75 I76 Y77 V81 F95 R96 S98L48-L79 HydrophobicContact CB-CD1 4.22Å; L48-L79 HydrophobicContact CD1-CD1 4.16Å; L48-L79 HydrophobicContact CD2-CD1 4.07Å; L48-L79 HydrophobicContact CG-CD1 4.39Å; W75-L79 HydrophobicContact CH2-CD1 4.04Å; W75-L79 HydrophobicContact CZ2-CD1 3.75Å; I76-L79 WeakPolarHBondContact O-CA 3.46Å; I76-L79 VanDerWaalsContact O-CB 3.32Å; I76-L79 WeakPolarHBondContact O-CB 3.44Å; I76-L79 PolarHBondContact O-N 3.43Å; Y77-L79 PolarHBondContact O-N 2.95Å; L79-V81 PolarHBondContact O-N 2.93Å; L79-F95 HydrophobicContact CB-CD1 4.35Å; L79-F95 CarbonylContact O-C 3.59Å; L79-F95 WeakPolarHBondContact O-CA 3.48Å; L79-R96 HydrophobicContact CB-CB 4.32Å; L79-R96 WeakPolarHBondContact O-CG 3.21Å; L79-R96 PolarHBondContact O-N 3.11Å; L79-R96 PolarHBondContact O-NH1 3.31Å; L79-S98 VanDerWaalsContact CD2-C 3.48Å
80Q98.9Very high98.5Very high7 Ų747.5 Ų47.53%0.03324%0.242CC..EExtended strand (participates in β ladder)trans-66.9129.5176.1-170170.3-16000110.2Y77 L82 G94 F95 R96 S108 R141Y77-Q80 PolarHBondContact O-N 3.05Å; Q80-L82 HydrophobicContact CG-CD2 3.93Å; Q80-L82 HydrophobicContact CG-CG 4.2Å; Q80-L82 PolarHBondContact O-N 2.87Å; Q80-G94 CarbonylContact C-O 3.47Å; Q80-G94 WeakPolarHBondContact CA-O 3.41Å; Q80-F95 HydrophobicContact CB-CD1 4.14Å; Q80-F95 HydrophobicContact CB-CE1 3.78Å; Q80-F95 HydrophobicContact CB-CE2 4.43Å; Q80-F95 HydrophobicContact CB-CZ 3.94Å; Q80-F95 HydrophobicContact CG-CE1 4.32Å; Q80-F95 HydrophobicContact CG-CE2 4.1Å; Q80-F95 HydrophobicContact CG-CZ 3.98Å; Q80-R96 PolarHBondContact O-NH1 3.33Å; Q80-S108 WeakPolarHBondContact CB-OG 3.36Å; Q80-S108 PolarHBondContact NE2-OG 3.42Å; Q80-R141 PolarHBondContact NE2-O 2.92Å
81V98.9Very high98.5Very high2 Ų244.8 Ų44.81%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-88.595.2168.5-175.70000106.6L79 C93 G94 R96L79-V81 PolarHBondContact O-N 2.93Å; V81-C93 WeakPolarHBondContact O-CA 3.36Å; V81-C93 WeakPolarHBondContact O-CB 3.36Å; V81-G94 PolarHBondContact N-O 2.75Å; V81-G94 PolarHBondContact O-N 2.97Å; V81-R96 HydrophobicContact CG2-CG 3.6Å
82L98.8Very high98.5Very high22 Ų2242 Ų4212%0.11521%0.214CC..PPolyproline II helixtrans-77.6155.8176.8-71174.7000111.3Q80 N89 N110 D143Q80-L82 HydrophobicContact CG-CD2 3.93Å; Q80-L82 HydrophobicContact CG-CG 4.2Å; Q80-L82 PolarHBondContact O-N 2.87Å; L82-N89 PolarHBondContact O-ND2 3.27Å; L82-N89 VanDerWaalsContact O-ND2 3.14Å; L82-N110 WeakPolarHBondContact CD1-O 3.25Å; L82-D143 HydrophobicContact CD2-CB 4.07Å
83P98.6Very high98.5Very high11 Ų1141.1 Ų41.17%0.07121%0.21CC..PPolyproline II helixtrans-61.9144.4169.825.8-32.5000111R87 N89 L90 G112 D143 A146P83-R87 HydrophobicContact CB-CG 4.46Å; P83-N89 WeakPolarHBondContact CA-OD1 3.5Å; P83-L90 HydrophobicContact CB-CD2 4.04Å; P83-G112 PolarHBondContact O-N 3.26Å; P83-D143 VanDerWaalsContact CG-OD2 3.28Å; P83-D143 WeakPolarHBondContact CG-OD2 3.37Å; P83-A146 HydrophobicContact CG-CB 4.29Å
84T98.2Very high98.5Very high13 Ų1340.7 Ų40.78%0.0821%0.208CC..PPolyproline II helixtrans-66.8166.7167.347.90000110.5D86 R87 S88 N89 A114T84-D86 VanDerWaalsContact C-N 3.25Å; T84-D86 VanDerWaalsContact CB-OD1 3.31Å; T84-D86 WeakPolarHBondContact CB-OD1 3.37Å; T84-D86 PolarHBondContact O-N 3.07Å; T84-D86 PolarHBondContact OG1-OD1 3.31Å; T84-R87 WeakPolarHBondContact O-CA 3.5Å; T84-R87 PolarHBondContact O-N 3.1Å; T84-S88 PolarHBondContact OG1-N 3.21Å; T84-N89 PolarHBondContact N-OD1 3.12Å; T84-N89 PolarHBondContact OG1-OD1 3.01Å; T84-A114 HydrophobicContact CG2-CB 4.03Å
85E96.4Very high98.5Very high173 Ų17338.4 Ų38.481%0.80820%0.197SC*.THydrogen-bonded Turntrans-56.5-39.1179.3-67.2-174.4168.800112.9R87 P111E85-R87 PolarHBondContact O-N 3.05Å; E85-P111 HydrophobicContact CG-CB 4.1Å; E85-P111 HydrophobicContact CG-CG 4.35Å
86D97.3Very high98.5Very high115 Ų11536.9 Ų36.962%0.61519%0.191SC*.THydrogen-bonded Turntrans-80.5-3.217671-14.3000113.7T84 S88T84-D86 VanDerWaalsContact C-N 3.25Å; T84-D86 VanDerWaalsContact CB-OD1 3.31Å; T84-D86 WeakPolarHBondContact CB-OD1 3.37Å; T84-D86 PolarHBondContact O-N 3.07Å; T84-D86 PolarHBondContact OG1-OD1 3.31Å; D86-S88 VanDerWaalsContact CG-OG 3.23Å; D86-S88 PolarHBondContact O-N 3.29Å; D86-S88 VanDerWaalsContact O-N 3.12Å; D86-S88 PolarHBondContact OD1-N 3.45Å; D86-S88 VanDerWaalsContact OD1-N 3.14Å; D86-S88 PolarHBondContact OD1-OG 2.87Å; D86-S88 WeakPolarHBondContact OD2-CB 3.28Å; D86-S88 PolarHBondContact OD2-OG 3.43Å
87R98Very high98.5Very high120 Ų12037 Ų3745%0.45319%0.193SC..  trans54.424.4-178-52-177.767.583-0.9114.1P83 T84 E85 N89 L90P83-R87 HydrophobicContact CB-CG 4.46Å; T84-R87 WeakPolarHBondContact O-CA 3.5Å; T84-R87 PolarHBondContact O-N 3.1Å; E85-R87 PolarHBondContact O-N 3.05Å; R87-N89 VanDerWaalsContact C-N 3.27Å; R87-N89 PolarHBondContact O-N 3.12Å; R87-L90 HydrophobicContact CB-CD1 4.21Å; R87-L90 HydrophobicContact CB-CG 4.27Å; R87-L90 WeakPolarHBondContact O-CG 3.25Å
88S98.1Very high98.5Very high87 Ų8737 Ų3761%0.60819%0.193SC*.THydrogen-bonded Turntrans-71.8-19.3-176.859.90000113.8T84 D86T84-S88 PolarHBondContact OG1-N 3.21Å; D86-S88 VanDerWaalsContact CG-OG 3.23Å; D86-S88 PolarHBondContact O-N 3.29Å; D86-S88 VanDerWaalsContact O-N 3.12Å; D86-S88 PolarHBondContact OD1-N 3.45Å; D86-S88 VanDerWaalsContact OD1-N 3.14Å; D86-S88 PolarHBondContact OD1-OG 2.87Å; D86-S88 WeakPolarHBondContact OD2-CB 3.28Å; D86-S88 PolarHBondContact OD2-OG 3.43Å
89N98.6Very high98.5Very high22 Ų2239.3 Ų39.312%0.11821%0.209CC..THydrogen-bonded Turntrans-98.919.4-178.374.3-34.4000114.6L82 P83 T84 R87 S91 R92 C93L82-N89 PolarHBondContact O-ND2 3.27Å; L82-N89 VanDerWaalsContact O-ND2 3.14Å; P83-N89 WeakPolarHBondContact CA-OD1 3.5Å; T84-N89 PolarHBondContact N-OD1 3.12Å; T84-N89 PolarHBondContact OG1-OD1 3.01Å; R87-N89 VanDerWaalsContact C-N 3.27Å; R87-N89 PolarHBondContact O-N 3.12Å; N89-S91 PolarHBondContact O-N 2.85Å; N89-S91 VanDerWaalsContact O-N 3.16Å; N89-R92 WeakPolarHBondContact O-CA 3.39Å; N89-R92 WeakPolarHBondContact O-CB 3.41Å; N89-R92 PolarHBondContact O-N 3.13Å; N89-C93 PolarHBondContact O-SG 3.44Å; N89-C93 VanDerWaalsContact O-SG 3.39Å
90L98.7Very high98.5Very high50 Ų5045.2 Ų45.226%0.26223%0.232SC..G310 helixtrans-54.5-36.3-177-79.7171.6000113.9P83 R87 R92 C93 A146 A149 G150P83-L90 HydrophobicContact CB-CD2 4.04Å; R87-L90 HydrophobicContact CB-CD1 4.21Å; R87-L90 HydrophobicContact CB-CG 4.27Å; R87-L90 WeakPolarHBondContact O-CG 3.25Å; L90-R92 PolarHBondContact O-N 3.16Å; L90-R92 VanDerWaalsContact O-N 3.14Å; L90-C93 PolarHBondContact O-N 3.25Å; L90-A146 HydrophobicContact CD2-CB 3.84Å; L90-A149 HydrophobicContact CB-CB 4.21Å; L90-G150 PolarHBondContact O-N 2.73Å
91S98.7Very high98.5Very high59 Ų5947.1 Ų47.141%0.41324%0.242SC..G310 helixtrans-66.7-9.3176.9560000114.2N89N89-S91 PolarHBondContact O-N 2.85Å; N89-S91 VanDerWaalsContact O-N 3.16Å
92R98.8Very high98.5Very high45 Ų4550.1 Ų50.117%0.1727%0.274CS..G310 helixtrans-111.8-2.1-178.5-63.8179.344.4157.7-45.2114N89 L90 H115 P116 D118 S119 G120 P165 E166N89-R92 WeakPolarHBondContact O-CA 3.39Å; N89-R92 WeakPolarHBondContact O-CB 3.41Å; N89-R92 PolarHBondContact O-N 3.13Å; L90-R92 PolarHBondContact O-N 3.16Å; L90-R92 VanDerWaalsContact O-N 3.14Å; R92-H115 PolarHBondContact NH2-O 3.46Å; R92-P116 PolarHBondContact NH1-O 3.15Å; R92-P116 PolarHBondContact NH2-O 3.45Å; R92-D118 PolarHBondContact NE-O 3.49Å; R92-D118 PolarHBondContact NH2-O 3.07Å; R92-S119 WeakPolarHBondContact O-CA 3.49Å; R92-G120 PolarHBondContact O-N 3.25Å; R92-P165 HydrophobicContact CB-CG 4.2Å; R92-P165 HydrophobicContact CG-CB 4.25Å; R92-P165 HydrophobicContact CG-CG 3.67Å; R92-E166 IonicContact CZ-OE1 3.22Å; R92-E166 IonicContact NE-OE1 2.88Å; R92-E166 IonicContact NH1-OE1 2.72Å; R92-E166 PolarHBondContact NH1-OE1 3.16Å
93C98.9Very high98.4Very high7 Ų750.9 Ų50.95%0.04728%0.277CS..  trans-72.1155.4-177.1-66.50000111.8V81 N89 L90 A146V81-C93 WeakPolarHBondContact O-CA 3.36Å; V81-C93 WeakPolarHBondContact O-CB 3.36Å; N89-C93 PolarHBondContact O-SG 3.44Å; N89-C93 VanDerWaalsContact O-SG 3.39Å; L90-C93 PolarHBondContact O-N 3.25Å; C93-A146 HydrophobicContact CB-CB 3.64Å; C93-A146 WeakPolarHBondContact CB-O 3.36Å
94G98.9Very high98.4Very high1 Ų155.1 Ų55.11%0.0131%0.305CS..EExtended strand (participates in β ladder)trans147.4-146.4-171.900000110.4Q80 V81 T125Q80-G94 CarbonylContact C-O 3.47Å; Q80-G94 WeakPolarHBondContact CA-O 3.41Å; V81-G94 PolarHBondContact N-O 2.75Å; V81-G94 PolarHBondContact O-N 2.97Å; G94-T125 WeakPolarHBondContact CA-OG1 3.41Å
95F98.9Very high98.4Very high0 Ų061 Ų610%033%0.329CS..EExtended strand (participates in β ladder)trans-122.6144.6174.2-71.8-109.1000111.6L48 I76 L79 Q80 G120 H121 M124 T125 L129 L132 V142L48-F95 HydrophobicContact CD2-CB 4.16Å; I76-F95 HydrophobicContact CG2-CD1 4.23Å; I76-F95 HydrophobicContact CG2-CE1 3.88Å; L79-F95 HydrophobicContact CB-CD1 4.35Å; L79-F95 CarbonylContact O-C 3.59Å; L79-F95 WeakPolarHBondContact O-CA 3.48Å; Q80-F95 HydrophobicContact CB-CD1 4.14Å; Q80-F95 HydrophobicContact CB-CE1 3.78Å; Q80-F95 HydrophobicContact CB-CE2 4.43Å; Q80-F95 HydrophobicContact CB-CZ 3.94Å; Q80-F95 HydrophobicContact CG-CE1 4.32Å; Q80-F95 HydrophobicContact CG-CE2 4.1Å; Q80-F95 HydrophobicContact CG-CZ 3.98Å; F95-G120 WeakPolarHBondContact O-CA 3.25Å; F95-H121 PolarHBondContact O-N 3Å; F95-M124 HydrophobicContact CB-CB 4.45Å; F95-M124 WeakPolarHBondContact O-CB 3.48Å; F95-T125 HydrophobicContact CD2-CG2 4.23Å; F95-T125 PolarHBondContact N-OG1 3.4Å; F95-L129 HydrophobicContact CE2-CD2 4.02Å; F95-L129 HydrophobicContact CE2-CG 4.37Å; F95-L129 HydrophobicContact CZ-CD2 4.46Å; F95-L132 HydrophobicContact CE1-CD1 4.41Å; F95-L132 HydrophobicContact CZ-CD1 4.13Å; F95-V142 HydrophobicContact CZ-CG2 4.35Å
96R98.9Very high98.5Very high25 Ų2554.2 Ų54.29%0.09430%0.299CS..  trans-77.7159.1168.6-54.3175.2-167.886.95.3110.1L48 S78 L79 Q80 V81 S98 D118L48-R96 WeakPolarHBondContact CD2-O 3.3Å; S78-R96 PolarHBondContact O-NH1 2.97Å; L79-R96 HydrophobicContact CB-CB 4.32Å; L79-R96 WeakPolarHBondContact O-CG 3.21Å; L79-R96 PolarHBondContact O-N 3.11Å; L79-R96 PolarHBondContact O-NH1 3.31Å; Q80-R96 PolarHBondContact O-NH1 3.33Å; V81-R96 HydrophobicContact CG2-CG 3.6Å; R96-S98 WeakPolarHBondContact CB-O 3.46Å; R96-D118 WeakPolarHBondContact CD-OD1 3.44Å; R96-D118 IonicContact CZ-OD1 2.9Å; R96-D118 IonicContact CZ-OD2 3.28Å; R96-D118 IonicContact NE-OD1 3.74Å; R96-D118 PolarHBondContact NE-OD1 3.09Å; R96-D118 IonicContact NE-OD2 3.54Å; R96-D118 PolarHBondContact NE-OD2 2.9Å; R96-D118 IonicContact NH2-OD1 2.95Å; R96-D118 PolarHBondContact NH2-OD1 3.47Å; R96-D118 IonicContact NH2-OD2 3.93Å; R96-D118 PolarHBondContact NH2-OD2 3.12Å
97G98.8Very high98.5Very high3 Ų349.3 Ų49.33%0.03127%0.273CS..SBendtrans-80.8-24.9172.300000114.5T45 R47 L48 M124T45-G97 WeakPolarHBondContact O-CA 3.21Å; R47-G97 PolarHBondContact N-O 3.1Å; L48-G97 PolarHBondContact N-O 3.2Å; G97-M124 VanDerWaalsContact CA-CG 3.49Å
98S98.9Very high98.5Very high0 Ų044.4 Ų44.40%026%0.257CS..SBendtrans-163.9-171.3172.678.60000110.7E44 L79 R96 Y100E44-S98 WeakPolarHBondContact O-CB 3.44Å; E44-S98 PolarHBondContact O-OG 2.68Å; E44-S98 WeakPolarHBondContact OE1-CB 3.42Å; E44-S98 PolarHBondContact OE1-OG 3.31Å; L79-S98 VanDerWaalsContact CD2-C 3.48Å; R96-S98 WeakPolarHBondContact CB-O 3.46Å; S98-Y100 VanDerWaalsContact C-N 3.35Å; S98-Y100 WeakPolarHBondContact OG-CD1 3.49Å; S98-Y100 PolarHBondContact OG-N 3.44Å
99S98.7Very high98.3Very high63 Ų6346.8 Ų46.844%0.44126%0.257SS..SBendtrans-91.519.1176.355.80000114.2L101 G102S99-L101 PolarHBondContact O-N 3.5Å; S99-G102 PolarHBondContact O-N 3.3Å
100Y98.6Very high98.1Very high124 Ų12451 Ų5149%0.48628%0.279SS..THydrogen-bonded Turntrans-57.2-23-173.475.8-83.8000115.3T45 S98 G102T45-Y100 HydrophobicContact CG2-CD1 4.1Å; T45-Y100 HydrophobicContact CG2-CD2 4.44Å; T45-Y100 HydrophobicContact CG2-CE1 4.04Å; T45-Y100 HydrophobicContact CG2-CE2 4.37Å; T45-Y100 HydrophobicContact CG2-CG 4.31Å; S98-Y100 VanDerWaalsContact C-N 3.35Å; S98-Y100 WeakPolarHBondContact OG-CD1 3.49Å; S98-Y100 PolarHBondContact OG-N 3.44Å; Y100-G102 PolarHBondContact O-N 2.82Å
101L98.3Very high97.8Very high48 Ų4852 Ų5225%0.25129%0.289SS..THydrogen-bonded Turntrans-74.3-7176.5-71-179.7000114S99 I103 D118S99-L101 PolarHBondContact O-N 3.5Å; L101-I103 VanDerWaalsContact C-N 3.28Å; L101-I103 HydrophobicContact CB-CD1 4.33Å; L101-I103 HydrophobicContact CB-CG1 4.2Å; L101-I103 HydrophobicContact CD1-CD1 4.47Å; L101-I103 PolarHBondContact O-N 3.04Å; L101-D118 HydrophobicContact CD1-CB 4.01Å
102G98.3Very high97.6Very high65 Ų6550 Ų5067%0.6728%0.278SS*.  trans73.517.8179.200000114.4S99 Y100S99-G102 PolarHBondContact O-N 3.3Å; Y100-G102 PolarHBondContact O-N 2.82Å
103I98.3Very high97.4Very high37 Ų3752.1 Ų52.119%0.1930%0.296CS..PPolyproline II helixtrans-66.8134.6174.4-62.8176.1000109L101 F105 H115 D118L101-I103 VanDerWaalsContact C-N 3.28Å; L101-I103 HydrophobicContact CB-CD1 4.33Å; L101-I103 HydrophobicContact CB-CG1 4.2Å; L101-I103 HydrophobicContact CD1-CD1 4.47Å; L101-I103 PolarHBondContact O-N 3.04Å; I103-F105 PolarHBondContact O-N 3.2Å; I103-H115 HydrophobicContact CD1-CB 4.33Å; I103-D118 HydrophobicContact CD1-CB 3.62Å; I103-D118 VanDerWaalsContact CD1-OD1 3.29Å; I103-D118 WeakPolarHBondContact CD1-OD1 3.11Å; I103-D118 VanDerWaalsContact CD1-OD2 3.23Å; I103-D118 WeakPolarHBondContact CD1-OD2 3.43Å
104P97.9Very high97.3Very high100 Ų10055.7 Ų55.765%0.64933%0.326SS*.PPolyproline II helixtrans-55.2140.1178.7-25.934.4000112.3N106P104-N106 PolarHBondContact O-N 2.99Å; P104-N106 VanDerWaalsContact O-N 3.13Å
105F98.3Very high97.3Very high136 Ų13658.9 Ų58.960%0.59634%0.34SS*.PPolyproline II helixtrans-59.7116.5178.7-177.7-90.5000110.8S78 I103 P107S78-F105 VanDerWaalsContact CB-CD2 3.44Å; S78-F105 WeakPolarHBondContact OG-CE2 3.12Å; I103-F105 PolarHBondContact O-N 3.2Å; F105-P107 HydrophobicContact CE1-CB 4.09Å; F105-P107 HydrophobicContact CE1-CG 3.89Å; F105-P107 HydrophobicContact CZ-CB 4.2Å; F105-P107 HydrophobicContact CZ-CG 4.48Å
106N97.6Very high97.3Very high32 Ų3263.3 Ų63.317%0.17137%0.369CS..  trans-138102.5176.5169.424.4000108.5S78 P104 S108 K109 N110S78-N106 VanDerWaalsContact CA-O 3.3Å; S78-N106 WeakPolarHBondContact CA-O 3.33Å; P104-N106 PolarHBondContact O-N 2.99Å; P104-N106 VanDerWaalsContact O-N 3.13Å; N106-S108 PolarHBondContact O-N 3.45Å; N106-K109 PolarHBondContact OD1-N 2.8Å; N106-N110 PolarHBondContact ND2-O 3.25Å; N106-N110 PolarHBondContact OD1-N 3.1Å; N106-N110 VanDerWaalsContact OD1-N 3.13Å
107P97.8Very high97.3Very high11 Ų1170.1 Ų70.17%0.07140%0.396CS..  trans-76.853.6-176.334-36.2000111.8E74 F105 K109E74-P107 HydrophobicContact CB-CB 4.27Å; E74-P107 WeakPolarHBondContact O-CB 3.44Å; E74-P107 WeakPolarHBondContact OE2-CB 3.42Å; E74-P107 WeakPolarHBondContact OE2-CG 3.47Å; F105-P107 HydrophobicContact CE1-CB 4.09Å; F105-P107 HydrophobicContact CE1-CG 3.89Å; F105-P107 HydrophobicContact CZ-CB 4.2Å; F105-P107 HydrophobicContact CZ-CG 4.48Å; P107-K109 VanDerWaalsContact C-N 3.34Å; P107-K109 HydrophobicContact CG-CD 3.79Å; P107-K109 HydrophobicContact CG-CG 4.12Å; P107-K109 PolarHBondContact O-N 3.2Å
108S97.8Very high97.3Very high17 Ų1770.2 Ų70.212%0.11940%0.396CS..SBendtrans54.541.8-177.9-62.40000114.3Y77 Q80 N106Y77-S108 PolarHBondContact O-N 2.83Å; Y77-S108 PolarHBondContact O-OG 2.85Å; Q80-S108 WeakPolarHBondContact CB-OG 3.36Å; Q80-S108 PolarHBondContact NE2-OG 3.42Å; N106-S108 PolarHBondContact O-N 3.45Å
109K93.9Very high97.3Very high138 Ų13871 Ų7160%0.640%0.401SS*.SBendtrans-103-33.1179-68.4177.8-174.8160.40113E74 N106 P107E74-K109 WeakPolarHBondContact OE2-CE 3.49Å; E74-K109 IonicContact OE2-NZ 2.67Å; E74-K109 PolarHBondContact OE2-NZ 3Å; N106-K109 PolarHBondContact OD1-N 2.8Å; P107-K109 VanDerWaalsContact C-N 3.34Å; P107-K109 HydrophobicContact CG-CD 3.79Å; P107-K109 HydrophobicContact CG-CG 4.12Å; P107-K109 PolarHBondContact O-N 3.2Å
110N94.6Very high97.3Very high110 Ų11068.3 Ų68.359%0.58838%0.383SS*.SBendtrans-111.7160.5176.1-61.8-45.6000110.8L82 N106L82-N110 WeakPolarHBondContact CD1-O 3.25Å; N106-N110 PolarHBondContact ND2-O 3.25Å; N106-N110 PolarHBondContact OD1-N 3.1Å; N106-N110 VanDerWaalsContact OD1-N 3.13Å
111P93.9Very high97.3Very high71 Ų7164.9 Ų64.946%0.46137%0.371SS..PPolyproline II helixtrans-53.5161.7173.2-25.134.6000113.7E85 T113E85-P111 HydrophobicContact CG-CB 4.1Å; E85-P111 HydrophobicContact CG-CG 4.35Å; P111-T113 PolarHBondContact O-N 2.85Å
112G93.6Very high97.3Very high18 Ų1862.6 Ų62.619%0.18636%0.359CS..PPolyproline II helixtrans-61.4134.1177.200000112.2P83P83-G112 PolarHBondContact O-N 3.26Å
113T95.3Very high97.3Very high89 Ų8960.3 Ų60.355%0.54633%0.334SS..PPolyproline II helixtrans-84.5123.8171.1-53.90000109.1P111 H115P111-T113 PolarHBondContact O-N 2.85Å; T113-H115 PolarHBondContact O-N 3.37Å
114A97.1Very high97.4Very high82 Ų8259 Ų5968%0.67833%0.327SS*.PPolyproline II helixtrans-61.1129.617900000111T84T84-A114 HydrophobicContact CG2-CB 4.03Å
115H98.4Very high97.4Very high67 Ų6754.6 Ų54.631%0.3130%0.299SS..  trans-146133.6175178.8-85.6000110R92 I103 T113 Y117 D118R92-H115 PolarHBondContact NH2-O 3.46Å; I103-H115 HydrophobicContact CD1-CB 4.33Å; T113-H115 PolarHBondContact O-N 3.37Å; H115-Y117 VanDerWaalsContact C-N 3.26Å; H115-Y117 PolarHBondContact ND1-N 2.94Å; H115-Y117 PolarHBondContact O-N 2.86Å; H115-Y117 VanDerWaalsContact O-N 3.1Å; H115-D118 HydrophobicContact CB-CB 3.65Å; H115-D118 PolarHBondContact ND1-N 2.6Å; H115-D118 PolarHBondContact O-N 3.3Å
116P98.1Very high97.5Very high93 Ų9348.8 Ų48.860%0.60427%0.273SS*.THydrogen-bonded Turntrans-56.7-33.1-170.4-28.435.7000115.2R92R92-P116 PolarHBondContact NH1-O 3.15Å; R92-P116 PolarHBondContact NH2-O 3.45Å
117Y98.5Very high97.5Very high169 Ų16947.4 Ų47.466%0.66327%0.266SS*.THydrogen-bonded Turntrans-120.313.3-172.9-56.2-71.2000114.3H115H115-Y117 VanDerWaalsContact C-N 3.26Å; H115-Y117 PolarHBondContact ND1-N 2.94Å; H115-Y117 PolarHBondContact O-N 2.86Å; H115-Y117 VanDerWaalsContact O-N 3.1Å
118D98.8Very high97.6Very high5 Ų546.9 Ų46.93%0.02726%0.262CS..  trans-87.7105.7178.7-175.944000114.3R92 R96 L101 I103 H115R92-D118 PolarHBondContact NE-O 3.49Å; R92-D118 PolarHBondContact NH2-O 3.07Å; R96-D118 WeakPolarHBondContact CD-OD1 3.44Å; R96-D118 IonicContact CZ-OD1 2.9Å; R96-D118 IonicContact CZ-OD2 3.28Å; R96-D118 IonicContact NE-OD1 3.74Å; R96-D118 PolarHBondContact NE-OD1 3.09Å; R96-D118 IonicContact NE-OD2 3.54Å; R96-D118 PolarHBondContact NE-OD2 2.9Å; R96-D118 IonicContact NH2-OD1 2.95Å; R96-D118 PolarHBondContact NH2-OD1 3.47Å; R96-D118 IonicContact NH2-OD2 3.93Å; R96-D118 PolarHBondContact NH2-OD2 3.12Å; L101-D118 HydrophobicContact CD1-CB 4.01Å; I103-D118 HydrophobicContact CD1-CB 3.62Å; I103-D118 VanDerWaalsContact CD1-OD1 3.29Å; I103-D118 WeakPolarHBondContact CD1-OD1 3.11Å; I103-D118 VanDerWaalsContact CD1-OD2 3.23Å; I103-D118 WeakPolarHBondContact CD1-OD2 3.43Å; H115-D118 HydrophobicContact CB-CB 3.65Å; H115-D118 PolarHBondContact ND1-N 2.6Å; H115-D118 PolarHBondContact O-N 3.3Å
119S98.8Very high97.6Very high17 Ų1746.1 Ų46.112%0.11926%0.257CS..  trans-135.6158.3178.262.50000111.3R92 E166R92-S119 WeakPolarHBondContact O-CA 3.49Å; S119-E166 WeakPolarHBondContact CB-OE2 3.28Å; S119-E166 PolarHBondContact OG-OE1 3.31Å; S119-E166 PolarHBondContact OG-OE2 2.93Å
120G98.8Very high97.9Very high5 Ų539.6 Ų39.65%0.05223%0.228CC..  trans-73.2155.9169.700000111.3R92 F95R92-G120 PolarHBondContact O-N 3.25Å; F95-G120 WeakPolarHBondContact O-CA 3.25Å
121H98.9Very high98.1Very high52 Ų5234.3 Ų34.324%0.24120%0.2CC..  trans-117.4131.6172.5178.8-61.4000109.2F95 A123 M124 T125 A163 V164F95-H121 PolarHBondContact O-N 3Å; H121-A123 VanDerWaalsContact C-N 3.35Å; H121-A123 PolarHBondContact ND1-N 2.95Å; H121-A123 VanDerWaalsContact ND1-N 3.15Å; H121-A123 PolarHBondContact O-N 2.92Å; H121-M124 HydrophobicContact CB-CB 4.12Å; H121-M124 HydrophobicContact CB-CG 3.73Å; H121-M124 CarbonylContact O-C 3.55Å; H121-M124 WeakPolarHBondContact O-CA 3.47Å; H121-M124 WeakPolarHBondContact O-CB 3.45Å; H121-M124 PolarHBondContact O-N 3.03Å; H121-T125 PolarHBondContact O-N 2.68Å; H121-T125 PolarHBondContact O-OG1 3.05Å; H121-A163 CarbonylContact C-O 3.57Å; H121-A163 WeakPolarHBondContact CA-O 3.17Å; H121-V164 HydrophobicContact CB-CG1 3.94Å
122I98.9Very high98.3Very high1 Ų131 Ų311%0.00518%0.178CC..Hα-helixtrans-55.5-43.4-170.7-160.1175.4000114M124 T125 Y126 L151 L154 F161 A163 F174 C177 A178 I181I122-M124 VanDerWaalsContact C-N 3.26Å; I122-M124 PolarHBondContact O-N 3.05Å; I122-T125 PolarHBondContact O-N 2.99Å; I122-Y126 PolarHBondContact O-N 2.91Å; I122-L151 HydrophobicContact CD1-CD1 3.53Å; I122-L151 HydrophobicContact CG1-CD1 3.62Å; I122-L154 HydrophobicContact CB-CD1 3.78Å; I122-L154 HydrophobicContact CD1-CD1 4.13Å; I122-L154 HydrophobicContact CG1-CD1 4.09Å; I122-F161 HydrophobicContact CD1-CB 4Å; I122-F161 HydrophobicContact CD1-CD1 4.11Å; I122-F161 HydrophobicContact CD1-CG 4.23Å; I122-A163 HydrophobicContact CG2-CB 4.38Å; I122-A163 PolarHBondContact N-O 3.4Å; I122-F174 HydrophobicContact CD1-CB 4.24Å; I122-F174 WeakPolarHBondContact CD1-O 3.28Å; I122-F174 HydrophobicContact CG2-CB 4.05Å; I122-F174 HydrophobicContact CG2-CD1 3.31Å; I122-F174 HydrophobicContact CG2-CE1 4Å; I122-F174 HydrophobicContact CG2-CG 3.85Å; I122-C177 HydrophobicContact CB-CB 4.49Å; I122-C177 HydrophobicContact CD1-CB 4.15Å; I122-C177 HydrophobicContact CG1-CB 3.84Å; I122-C177 HydrophobicContact CG2-CB 4.15Å; I122-A178 HydrophobicContact CD1-CB 4.04Å; I122-I181 HydrophobicContact CG1-CD1 3.86Å
123A98.9Very high98.6Very high17 Ų1730.2 Ų30.214%0.1417%0.17CC..Hα-helixtrans-67.3-27.3176.800000112.8H121 T127H121-A123 VanDerWaalsContact C-N 3.35Å; H121-A123 PolarHBondContact ND1-N 2.95Å; H121-A123 VanDerWaalsContact ND1-N 3.15Å; H121-A123 PolarHBondContact O-N 2.92Å; A123-T127 WeakPolarHBondContact O-CB 3.15Å; A123-T127 WeakPolarHBondContact O-CG2 3.41Å; A123-T127 PolarHBondContact O-N 2.89Å; A123-T127 PolarHBondContact O-OG1 3.06Å
124M98.9Very high98.8Very high8 Ų826.4 Ų26.44%0.03915%0.146CC..Hα-helixtrans-80.5-37.3177.3-53.5-54.6140.800110.4L48 T49 F95 G97 H121 I122 Y126 T127 G128L48-M124 HydrophobicContact CB-SD 4.11Å; L48-M124 HydrophobicContact CD2-CB 4.18Å; L48-M124 WeakPolarHBondContact CD2-O 3.29Å; T49-M124 WeakPolarHBondContact OG1-CE 3.48Å; F95-M124 HydrophobicContact CB-CB 4.45Å; F95-M124 WeakPolarHBondContact O-CB 3.48Å; G97-M124 VanDerWaalsContact CA-CG 3.49Å; H121-M124 HydrophobicContact CB-CB 4.12Å; H121-M124 HydrophobicContact CB-CG 3.73Å; H121-M124 CarbonylContact O-C 3.55Å; H121-M124 WeakPolarHBondContact O-CA 3.47Å; H121-M124 WeakPolarHBondContact O-CB 3.45Å; H121-M124 PolarHBondContact O-N 3.03Å; I122-M124 VanDerWaalsContact C-N 3.26Å; I122-M124 PolarHBondContact O-N 3.05Å; M124-Y126 VanDerWaalsContact C-N 3.35Å; M124-T127 WeakPolarHBondContact CA-OG1 3.5Å; M124-T127 PolarHBondContact O-N 3.24Å; M124-G128 WeakPolarHBondContact O-CA 3.42Å; M124-G128 PolarHBondContact O-N 3.09Å
125T99Very high98.8Very high9 Ų922.7 Ų22.76%0.05512%0.115CC..Hα-helixtrans-60.1-45.8168.5-54.80000110.7G94 F95 H121 I122 L129 I181G94-T125 WeakPolarHBondContact CA-OG1 3.41Å; F95-T125 HydrophobicContact CD2-CG2 4.23Å; F95-T125 PolarHBondContact N-OG1 3.4Å; H121-T125 PolarHBondContact O-N 2.68Å; H121-T125 PolarHBondContact O-OG1 3.05Å; I122-T125 PolarHBondContact O-N 2.99Å; T125-L129 HydrophobicContact CG2-CD1 4.1Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 WeakPolarHBondContact O-CG 3.31Å; T125-L129 PolarHBondContact O-N 3.45Å; T125-L129 VanDerWaalsContact O-N 3.14Å; T125-I181 HydrophobicContact CG2-CD1 3.75Å; T125-I181 HydrophobicContact CG2-CG1 4.08Å; T125-I181 HydrophobicContact CG2-CG2 4.33Å
126Y98.9Very high98.8Very high13 Ų1321.4 Ų21.45%0.05112%0.12CC..Hα-helixtrans-57.8-58.5173.6161.3-131.8000111.8I122 M124 G128 L129 S130 Y176 C180 M184 N345I122-Y126 PolarHBondContact O-N 2.91Å; M124-Y126 VanDerWaalsContact C-N 3.35Å; Y126-G128 VanDerWaalsContact C-N 3.34Å; Y126-G128 PolarHBondContact O-N 2.73Å; Y126-L129 PolarHBondContact O-N 3.28Å; Y126-S130 WeakPolarHBondContact O-CB 2.91Å; Y126-S130 PolarHBondContact O-N 3.17Å; Y126-Y176 HydrophobicContact CE1-CE1 4.21Å; Y126-C180 HydrophobicContact CD2-CB 3.36Å; Y126-C180 HydrophobicContact CE2-CB 3.52Å; Y126-C180 HydrophobicContact CG-CB 4.14Å; Y126-M184 HydrophobicContact CD2-CE 3.68Å; Y126-M184 HydrophobicContact CE2-CE 4.26Å; Y126-M184 WeakPolarHBondContact O-CE 3.31Å; Y126-N345 PolarHBondContact OH-ND2 3.5Å
127T98.9Very high98.9Very high4 Ų417.8 Ų17.83%0.02510%0.095CC..Hα-helixtrans-67.8-33.6-174.647.50000112.7T49 F52 A123 M124 S130 C131T49-T127 HydrophobicContact CG2-CG2 4.29Å; T49-T127 PolarHBondContact OG1-OG1 2.76Å; F52-T127 HydrophobicContact CB-CG2 3.85Å; F52-T127 HydrophobicContact CD1-CG2 3.95Å; F52-T127 HydrophobicContact CD2-CG2 4.39Å; F52-T127 HydrophobicContact CG-CG2 3.79Å; A123-T127 WeakPolarHBondContact O-CB 3.15Å; A123-T127 WeakPolarHBondContact O-CG2 3.41Å; A123-T127 PolarHBondContact O-N 2.89Å; A123-T127 PolarHBondContact O-OG1 3.06Å; M124-T127 WeakPolarHBondContact CA-OG1 3.5Å; M124-T127 PolarHBondContact O-N 3.24Å; T127-S130 PolarHBondContact O-N 3.16Å; T127-C131 WeakPolarHBondContact O-CB 3.3Å; T127-C131 PolarHBondContact O-N 2.85Å; T127-C131 PolarHBondContact O-SG 2.89Å
128G98.9Very high98.9Very high0 Ų013.1 Ų13.10%08%0.082CC..Hα-helixtrans-61.3-52.8174.100000112.8M124 Y126 S130 C131 L132M124-G128 WeakPolarHBondContact O-CA 3.42Å; M124-G128 PolarHBondContact O-N 3.09Å; Y126-G128 VanDerWaalsContact C-N 3.34Å; Y126-G128 PolarHBondContact O-N 2.73Å; G128-S130 VanDerWaalsContact C-N 3.29Å; G128-S130 PolarHBondContact O-N 3.28Å; G128-C131 PolarHBondContact O-N 3.21Å; G128-L132 WeakPolarHBondContact O-CG 3.44Å; G128-L132 PolarHBondContact O-N 3.2Å
129L99Very high98.9Very high0 Ų012.9 Ų12.90%08%0.08CC..Hα-helixtrans-59.9-42.1175.7-65.3173.4000111.4F95 T125 Y126 L132 I133 L139 V142 I181 M184 L185F95-L129 HydrophobicContact CE2-CD2 4.02Å; F95-L129 HydrophobicContact CE2-CG 4.37Å; F95-L129 HydrophobicContact CZ-CD2 4.46Å; T125-L129 HydrophobicContact CG2-CD1 4.1Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 WeakPolarHBondContact O-CG 3.31Å; T125-L129 PolarHBondContact O-N 3.45Å; T125-L129 VanDerWaalsContact O-N 3.14Å; Y126-L129 PolarHBondContact O-N 3.28Å; L129-L132 PolarHBondContact O-N 3.04Å; L129-I133 WeakPolarHBondContact O-CD1 3.35Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.36Å; L129-I133 PolarHBondContact O-N 3.14Å; L129-I133 VanDerWaalsContact O-N 3.08Å; L129-L139 HydrophobicContact CB-CD2 4.4Å; L129-L139 HydrophobicContact CD2-CD2 3.67Å; L129-V142 HydrophobicContact CD2-CB 4.39Å; L129-V142 HydrophobicContact CD2-CG1 3.72Å; L129-V142 HydrophobicContact CD2-CG2 3.81Å; L129-I181 HydrophobicContact CD1-CG1 4.33Å; L129-I181 HydrophobicContact CD1-CG2 4.01Å; L129-M184 HydrophobicContact CB-CE 3.61Å; L129-M184 HydrophobicContact CB-SD 4.26Å; L129-M184 HydrophobicContact CD1-CE 4.24Å; L129-L185 HydrophobicContact CD1-CD1 4.28Å; L129-L185 HydrophobicContact CD1-CD2 4.11Å; L129-L185 HydrophobicContact CD1-CG 4.09Å; L129-L185 HydrophobicContact CD2-CD2 4.19Å
130S98.9Very high98.9Very high1 Ų116 Ų161%0.00710%0.103CC..Hα-helixtrans-61-47.4177.5-173.10000111.8F52 Y126 T127 G128 L132 I133 I134 V346F52-S130 WeakPolarHBondContact CE2-OG 3.37Å; Y126-S130 WeakPolarHBondContact O-CB 2.91Å; Y126-S130 PolarHBondContact O-N 3.17Å; T127-S130 PolarHBondContact O-N 3.16Å; G128-S130 VanDerWaalsContact C-N 3.29Å; G128-S130 PolarHBondContact O-N 3.28Å; S130-L132 PolarHBondContact O-N 3.05Å; S130-I133 PolarHBondContact O-N 3.26Å; S130-I134 WeakPolarHBondContact O-CD1 3.49Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.45Å; S130-I134 PolarHBondContact O-N 2.71Å; S130-V346 WeakPolarHBondContact OG-CG1 3.38Å
131C98.9Very high98.8Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-59.2-43.3175.9-72.20000112.5F52 L55 I76 T127 G128 I133 I134 L135F52-C131 WeakPolarHBondContact CA-SG 3.35Å; F52-C131 VanDerWaalsContact CB-SG 3.59Å; L55-C131 HydrophobicContact CD1-CB 4.02Å; I76-C131 HydrophobicContact CD1-CB 3.49Å; I76-C131 VanDerWaalsContact CD1-CB 3.49Å; I76-C131 HydrophobicContact CG1-CB 4.48Å; T127-C131 WeakPolarHBondContact O-CB 3.3Å; T127-C131 PolarHBondContact O-N 2.85Å; T127-C131 PolarHBondContact O-SG 2.89Å; G128-C131 PolarHBondContact O-N 3.21Å; C131-I133 VanDerWaalsContact C-N 3.31Å; C131-I133 PolarHBondContact O-N 3.49Å; C131-I134 PolarHBondContact O-N 2.93Å; C131-L135 WeakPolarHBondContact O-CB 3.19Å; C131-L135 VanDerWaalsContact O-CG 3.25Å; C131-L135 WeakPolarHBondContact O-CG 3.46Å; C131-L135 PolarHBondContact O-N 3.18Å
132L98.9Very high98.8Very high0 Ų017 Ų170%010%0.104CC..Hα-helixtrans-58.8-44176.4-70.6172.6000111.3I73 I76 Y77 F95 G128 L129 S130 L135 G136 D137 V142I73-L132 HydrophobicContact CG1-CD2 4.39Å; I73-L132 HydrophobicContact CG2-CD2 4.16Å; I76-L132 HydrophobicContact CB-CD2 4.11Å; I76-L132 HydrophobicContact CD1-CD2 4.32Å; I76-L132 HydrophobicContact CG2-CD1 4.18Å; I76-L132 HydrophobicContact CG2-CD2 3.9Å; I76-L132 HydrophobicContact CG2-CG 3.82Å; Y77-L132 HydrophobicContact CD2-CD2 3.78Å; Y77-L132 HydrophobicContact CE1-CD1 3.97Å; Y77-L132 HydrophobicContact CE2-CD1 3.97Å; Y77-L132 HydrophobicContact CE2-CD2 3.39Å; Y77-L132 HydrophobicContact CE2-CG 4.31Å; F95-L132 HydrophobicContact CE1-CD1 4.41Å; F95-L132 HydrophobicContact CZ-CD1 4.13Å; G128-L132 WeakPolarHBondContact O-CG 3.44Å; G128-L132 PolarHBondContact O-N 3.2Å; L129-L132 PolarHBondContact O-N 3.04Å; S130-L132 PolarHBondContact O-N 3.05Å; L132-L135 PolarHBondContact O-N 3.07Å; L132-G136 PolarHBondContact O-N 2.95Å; L132-D137 HydrophobicContact CB-CB 4.18Å; L132-D137 HydrophobicContact CD2-CB 4.14Å; L132-D137 WeakPolarHBondContact O-CB 3.3Å; L132-D137 PolarHBondContact O-N 3.04Å; L132-V142 HydrophobicContact CD1-CG2 3.94Å
133I98.9Very high98.8Very high3 Ų318.8 Ų18.82%0.01511%0.113CC..Hα-helixtrans-64.5-45.6177.5-60.9155.5000111.1L129 S130 C131 L135 G136 L139 M184 T350 R353 L354L129-I133 WeakPolarHBondContact O-CD1 3.35Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.36Å; L129-I133 PolarHBondContact O-N 3.14Å; L129-I133 VanDerWaalsContact O-N 3.08Å; S130-I133 PolarHBondContact O-N 3.26Å; C131-I133 VanDerWaalsContact C-N 3.31Å; C131-I133 PolarHBondContact O-N 3.49Å; I133-L135 VanDerWaalsContact C-N 3.29Å; I133-L135 PolarHBondContact O-N 3.36Å; I133-G136 PolarHBondContact O-N 3.38Å; I133-L139 HydrophobicContact CG1-CD1 3.71Å; I133-L139 HydrophobicContact CG1-CD2 4.27Å; I133-L139 HydrophobicContact CG1-CG 4.45Å; I133-M184 HydrophobicContact CD1-CB 3.96Å; I133-M184 HydrophobicContact CD1-CG 3.75Å; I133-M184 HydrophobicContact CD1-SD 3.52Å; I133-M184 VanDerWaalsContact CD1-SD 3.52Å; I133-T350 HydrophobicContact CB-CG2 4.38Å; I133-T350 HydrophobicContact CG2-CG2 3.71Å; I133-R353 PolarHBondContact O-NH1 3.16Å; I133-L354 HydrophobicContact CD1-CD1 3.73Å; I133-L354 HydrophobicContact CD1-CD2 4.38Å; I133-L354 HydrophobicContact CG1-CD1 4.25Å; I133-L354 HydrophobicContact CG2-CB 4.15Å
134I98.9Very high98.8Very high8 Ų820.7 Ų20.74%0.04112%0.118CC..Hα-helixtrans-58.4-42.4178.1-69.5162.8000110.7F52 L55 D59 L64 S130 C131 G136 V346 T350F52-I134 HydrophobicContact CD2-CD1 4.22Å; F52-I134 HydrophobicContact CE2-CD1 4.18Å; L55-I134 HydrophobicContact CB-CG2 4.46Å; D59-I134 HydrophobicContact CB-CG2 3.84Å; L64-I134 HydrophobicContact CD1-CG2 3.77Å; L64-I134 WeakPolarHBondContact CD1-O 3.28Å; L64-I134 HydrophobicContact CD2-CG2 4.2Å; S130-I134 WeakPolarHBondContact O-CD1 3.49Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.45Å; S130-I134 PolarHBondContact O-N 2.71Å; C131-I134 PolarHBondContact O-N 2.93Å; I134-G136 VanDerWaalsContact C-N 3.26Å; I134-G136 PolarHBondContact O-N 3.49Å; I134-V346 HydrophobicContact CD1-CG1 4.25Å; I134-V346 HydrophobicContact CG1-CG1 4.42Å; I134-T350 HydrophobicContact CB-CG2 4.48Å; I134-T350 HydrophobicContact CG1-CG2 3.66Å
135L98.9Very high98.8Very high5 Ų525 Ų253%0.02614%0.139CC..Hα-helixtrans-76.5-10.4-177.4-71.2171.4000114L55 K69 I72 I73 I76 C131 L132 I133L55-L135 HydrophobicContact CD1-CD1 3.97Å; L55-L135 HydrophobicContact CD1-CD2 4.46Å; L55-L135 HydrophobicContact CD1-CG 4.29Å; L55-L135 HydrophobicContact CD2-CD2 3.84Å; K69-L135 HydrophobicContact CB-CD2 4.16Å; K69-L135 WeakPolarHBondContact CD-O 3.32Å; K69-L135 HydrophobicContact CG-CD2 4.03Å; I72-L135 HydrophobicContact CB-CD1 4Å; I72-L135 HydrophobicContact CG2-CD1 3.56Å; I73-L135 HydrophobicContact CD1-CB 3.93Å; I73-L135 HydrophobicContact CG1-CB 3.8Å; I73-L135 HydrophobicContact CG1-CD1 3.83Å; I73-L135 HydrophobicContact CG1-CG 4.45Å; I76-L135 HydrophobicContact CD1-CD1 3.64Å; C131-L135 WeakPolarHBondContact O-CB 3.19Å; C131-L135 VanDerWaalsContact O-CG 3.25Å; C131-L135 WeakPolarHBondContact O-CG 3.46Å; C131-L135 PolarHBondContact O-N 3.18Å; L132-L135 PolarHBondContact O-N 3.07Å; I133-L135 VanDerWaalsContact C-N 3.29Å; I133-L135 PolarHBondContact O-N 3.36Å
136G98.7Very high98.8Very high39 Ų3924.7 Ų24.740%0.40214%0.136SC..THydrogen-bonded Turntrans988.7177.800000115L132 I133 I134 R353L132-G136 PolarHBondContact O-N 2.95Å; I133-G136 PolarHBondContact O-N 3.38Å; I134-G136 VanDerWaalsContact C-N 3.26Å; I134-G136 PolarHBondContact O-N 3.49Å; G136-R353 PolarHBondContact O-NH2 3.35Å
137D98.8Very high98.8Very high17 Ų1724.1 Ų24.19%0.09114%0.135CC..  trans-77.3144.9175-174.8-79.6000111.2I73 Y77 L132 L139 R141 R353I73-D137 HydrophobicContact CD1-CB 4Å; I73-D137 HydrophobicContact CG1-CB 4.28Å; I73-D137 HydrophobicContact CG2-CB 4.41Å; Y77-D137 WeakPolarHBondContact CE2-OD2 3.48Å; Y77-D137 PolarHBondContact OH-OD1 3.29Å; L132-D137 HydrophobicContact CB-CB 4.18Å; L132-D137 HydrophobicContact CD2-CB 4.14Å; L132-D137 WeakPolarHBondContact O-CB 3.3Å; L132-D137 PolarHBondContact O-N 3.04Å; D137-L139 WeakPolarHBondContact OD1-CA 3.08Å; D137-L139 PolarHBondContact OD1-N 2.78Å; D137-R141 IonicContact OD2-CZ 2.86Å; D137-R141 IonicContact OD2-NH2 2.85Å; D137-R141 PolarHBondContact OD2-NH2 3.44Å; D137-R353 VanDerWaalsContact O-CZ 3.23Å; D137-R353 PolarHBondContact O-NH1 3.36Å; D137-R353 PolarHBondContact O-NH2 2.91Å
138D98.6Very high98.8Very high71 Ų7124 Ų2438%0.3813%0.134SC..  trans-90.53.2-173.265.212.4000114.6S140 L357D138-S140 PolarHBondContact O-N 3.31Å; D138-S140 WeakPolarHBondContact OD1-CB 3.38Å; D138-S140 PolarHBondContact OD1-N 2.82Å; D138-S140 PolarHBondContact OD1-OG 2.83Å; D138-L357 HydrophobicContact CB-CD2 3.89Å
139L98.7Very high98.8Very high0 Ų024.9 Ų24.90%014%0.141CC..SBendtrans62.117.7-176.9-52.797.6000114.2L129 I133 D137 R141 V142 L185 L357 W361L129-L139 HydrophobicContact CB-CD2 4.4Å; L129-L139 HydrophobicContact CD2-CD2 3.67Å; I133-L139 HydrophobicContact CG1-CD1 3.71Å; I133-L139 HydrophobicContact CG1-CD2 4.27Å; I133-L139 HydrophobicContact CG1-CG 4.45Å; D137-L139 WeakPolarHBondContact OD1-CA 3.08Å; D137-L139 PolarHBondContact OD1-N 2.78Å; L139-R141 PolarHBondContact O-N 3.08Å; L139-V142 HydrophobicContact CB-CB 4.27Å; L139-V142 HydrophobicContact CB-CG2 3.86Å; L139-V142 HydrophobicContact CD2-CG2 4.2Å; L139-V142 HydrophobicContact CG-CG2 4.36Å; L139-V142 WeakPolarHBondContact O-CB 3.44Å; L139-V142 PolarHBondContact O-N 3.15Å; L139-L185 HydrophobicContact CD2-CD2 4.45Å; L139-L357 HydrophobicContact CD1-CD1 3.73Å; L139-W361 HydrophobicContact CB-CZ2 4.29Å; L139-W361 HydrophobicContact CD1-CH2 4.45Å; L139-W361 HydrophobicContact CD1-CZ2 4.14Å
140S98.3Very high98.8Very high84 Ų8425 Ų2559%0.58714%0.143SC*.THydrogen-bonded Turntrans-61.2-29.7179.555.20000113.6D138D138-S140 PolarHBondContact O-N 3.31Å; D138-S140 WeakPolarHBondContact OD1-CB 3.38Å; D138-S140 PolarHBondContact OD1-N 2.82Å; D138-S140 PolarHBondContact OD1-OG 2.83Å
141R98.6Very high98.8Very high68 Ų6825.3 Ų25.326%0.25714%0.144SC..THydrogen-bonded Turntrans-90.60.9176.5-60.5174.6-66.8-177.7-15.8113.9E74 Y77 Q80 D137 L139E74-R141 IonicContact OE1-CZ 3.55Å; E74-R141 IonicContact OE1-NH1 3.61Å; E74-R141 PolarHBondContact OE1-NH1 3.02Å; E74-R141 IonicContact OE1-NH2 2.68Å; Y77-R141 HydrophobicContact CD1-CB 4.04Å; Y77-R141 HydrophobicContact CE1-CB 3.49Å; Y77-R141 VanDerWaalsContact CE1-CB 3.49Å; Y77-R141 HydrophobicContact CE2-CB 4.37Å; Y77-R141 VanDerWaalsContact CE2-NE 3.25Å; Q80-R141 PolarHBondContact NE2-O 2.92Å; D137-R141 IonicContact OD2-CZ 2.86Å; D137-R141 IonicContact OD2-NH2 2.85Å; D137-R141 PolarHBondContact OD2-NH2 3.44Å; L139-R141 PolarHBondContact O-N 3.08Å
142V98.9Very high98.8Very high9 Ų930.1 Ų30.16%0.05516%0.162CC..SBendtrans-78.7123.8172.5178.30000107.9Y77 F95 L129 L132 L139 K144 L185Y77-V142 HydrophobicContact CE1-CG2 3.81Å; F95-V142 HydrophobicContact CZ-CG2 4.35Å; L129-V142 HydrophobicContact CD2-CB 4.39Å; L129-V142 HydrophobicContact CD2-CG1 3.72Å; L129-V142 HydrophobicContact CD2-CG2 3.81Å; L132-V142 HydrophobicContact CD1-CG2 3.94Å; L139-V142 HydrophobicContact CB-CB 4.27Å; L139-V142 HydrophobicContact CB-CG2 3.86Å; L139-V142 HydrophobicContact CD2-CG2 4.2Å; L139-V142 HydrophobicContact CG-CG2 4.36Å; L139-V142 WeakPolarHBondContact O-CB 3.44Å; L139-V142 PolarHBondContact O-N 3.15Å; V142-K144 HydrophobicContact CG1-CG 4.35Å; V142-K144 PolarHBondContact O-N 3.24Å; V142-L185 HydrophobicContact CG1-CD2 4.5Å
143D98.7Very high98.8Very high39 Ų3932.6 Ų32.621%0.20918%0.182CC..  trans-74.787.8166.8-169.2-33.8000108L82 P83 E145 A146 C147L82-D143 HydrophobicContact CD2-CB 4.07Å; P83-D143 VanDerWaalsContact CG-OD2 3.28Å; P83-D143 WeakPolarHBondContact CG-OD2 3.37Å; D143-E145 VanDerWaalsContact C-N 3.31Å; D143-E145 PolarHBondContact O-N 2.96Å; D143-E145 PolarHBondContact OD1-N 3.38Å; D143-A146 HydrophobicContact CB-CB 3.85Å; D143-A146 PolarHBondContact O-N 3.02Å; D143-A146 VanDerWaalsContact OD1-CB 3.24Å; D143-A146 WeakPolarHBondContact OD1-CB 3.43Å; D143-A146 PolarHBondContact OD1-N 3.08Å; D143-C147 PolarHBondContact O-N 2.68Å; D143-C147 PolarHBondContact O-SG 3.47Å
144K98.8Very high98.8Very high57 Ų5733 Ų3325%0.24819%0.185CC..Hα-helixtrans-59.4-44-173.9-57.3-177.5-173.6173.50110.9V142 C147 L148 L185 W361V142-K144 HydrophobicContact CG1-CG 4.35Å; V142-K144 PolarHBondContact O-N 3.24Å; K144-C147 PolarHBondContact O-N 3.49Å; K144-L148 VanDerWaalsContact O-CG 3.23Å; K144-L148 WeakPolarHBondContact O-CG 3.47Å; K144-L148 PolarHBondContact O-N 3.21Å; K144-L185 HydrophobicContact CG-CD2 4.15Å; K144-W361 VanDerWaalsContact NZ-CD2 3.28Å
145E98.8Very high98.8Very high99 Ų9934.2 Ų34.246%0.46319%0.19SC..Hα-helixtrans-68.6-38.8-179.3-71-54.8128.100112.2D143 L148 A149D143-E145 VanDerWaalsContact C-N 3.31Å; D143-E145 PolarHBondContact O-N 2.96Å; D143-E145 PolarHBondContact OD1-N 3.38Å; E145-L148 PolarHBondContact O-N 3.5Å; E145-A149 WeakPolarHBondContact O-CB 3.28Å; E145-A149 PolarHBondContact O-N 3.05Å
146A98.8Very high98.8Very high1 Ų136.9 Ų36.91%0.00820%0.204CC..Hα-helixtrans-65.2-41.4173.700000111.7P83 L90 C93 D143 L148 A149 G150P83-A146 HydrophobicContact CG-CB 4.29Å; L90-A146 HydrophobicContact CD2-CB 3.84Å; C93-A146 HydrophobicContact CB-CB 3.64Å; C93-A146 WeakPolarHBondContact CB-O 3.36Å; D143-A146 HydrophobicContact CB-CB 3.85Å; D143-A146 PolarHBondContact O-N 3.02Å; D143-A146 VanDerWaalsContact OD1-CB 3.24Å; D143-A146 WeakPolarHBondContact OD1-CB 3.43Å; D143-A146 PolarHBondContact OD1-N 3.08Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.27Å; A146-A149 PolarHBondContact O-N 2.8Å; A146-G150 PolarHBondContact O-N 3.2Å
147C98.9Very high98.8Very high2 Ų243.2 Ų43.21%0.01422%0.223CC..Hα-helixtrans-59.9-42.9173.9-69.60000111.9D143 K144 G150 L151 L185D143-C147 PolarHBondContact O-N 2.68Å; D143-C147 PolarHBondContact O-SG 3.47Å; K144-C147 PolarHBondContact O-N 3.49Å; C147-G150 PolarHBondContact O-N 2.83Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 PolarHBondContact O-N 2.68Å; C147-L185 HydrophobicContact CB-CD1 4.1Å
148L98.9Very high98.8Very high1 Ų145.9 Ų45.91%0.00524%0.237CC..Hα-helixtrans-70.2-34.1178-65167.5000112.1K144 E145 A146 L151 R152 L185 N187K144-L148 VanDerWaalsContact O-CG 3.23Å; K144-L148 WeakPolarHBondContact O-CG 3.47Å; K144-L148 PolarHBondContact O-N 3.21Å; E145-L148 PolarHBondContact O-N 3.5Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.27Å; L148-L151 PolarHBondContact O-N 2.85Å; L148-R152 WeakPolarHBondContact O-CG 3.21Å; L148-R152 PolarHBondContact O-N 3.48Å; L148-L185 HydrophobicContact CD2-CD1 4.04Å; L148-L185 HydrophobicContact CG-CD1 4.07Å; L148-N187 HydrophobicContact CD1-CB 3.82Å; L148-N187 WeakPolarHBondContact CD1-ND2 3.43Å
149A98.9Very high98.8Very high19 Ų1942.5 Ų42.516%0.15722%0.219CC..Hα-helixtrans-65.1-45.5173.100000111.9L90 E145 A146 L151 R152 A153L90-A149 HydrophobicContact CB-CB 4.21Å; E145-A149 WeakPolarHBondContact O-CB 3.28Å; E145-A149 PolarHBondContact O-N 3.05Å; A146-A149 PolarHBondContact O-N 2.8Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-R152 PolarHBondContact O-N 3.28Å; A149-A153 PolarHBondContact O-N 3.39Å
150G98.9Very high98.8Very high3 Ų342.5 Ų42.53%0.03122%0.219CC..Hα-helixtrans-58.6-45.4171.400000111.4L90 A146 C147 R152 A153 L154L90-G150 PolarHBondContact O-N 2.73Å; A146-G150 PolarHBondContact O-N 3.2Å; C147-G150 PolarHBondContact O-N 2.83Å; G150-R152 PolarHBondContact O-N 2.9Å; G150-A153 WeakPolarHBondContact O-CB 3.43Å; G150-A153 PolarHBondContact O-N 3.38Å; G150-A153 VanDerWaalsContact O-N 3.13Å; G150-L154 WeakPolarHBondContact O-CG 3.31Å; G150-L154 PolarHBondContact O-N 2.56Å
151L98.9Very high98.8Very high6 Ų638.5 Ų38.53%0.03119%0.191CC..Hα-helixtrans-61.3-43-179.9-163.866.3000113.2I122 C147 L148 A149 A153 L154 F161 A178 I181 G190I122-L151 HydrophobicContact CD1-CD1 3.53Å; I122-L151 HydrophobicContact CG1-CD1 3.62Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 PolarHBondContact O-N 2.68Å; L148-L151 PolarHBondContact O-N 2.85Å; A149-L151 VanDerWaalsContact C-N 3.33Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.4Å; L151-L154 PolarHBondContact O-N 2.9Å; L151-L154 VanDerWaalsContact O-N 3.16Å; L151-F161 HydrophobicContact CG-CE1 4.34Å; L151-A178 HydrophobicContact CD1-CB 3.97Å; L151-A178 HydrophobicContact CD2-CB 4.19Å; L151-A178 HydrophobicContact CG-CB 4.31Å; L151-I181 HydrophobicContact CD1-CD1 3.77Å; L151-I181 HydrophobicContact CD2-CB 4.05Å; L151-I181 HydrophobicContact CD2-CG2 3.89Å; L151-G190 CarbonylContact C-O 3.6Å; L151-G190 WeakPolarHBondContact CG-O 3.34Å
152R98.9Very high98.9Very high101 Ų10136 Ų3638%0.38118%0.184SC..Hα-helixtrans-59.3-40175-77.9-174.2-70.2-87.43.4112L148 A149 G150 L154 Q155 S189 G190L148-R152 WeakPolarHBondContact O-CG 3.21Å; L148-R152 PolarHBondContact O-N 3.48Å; A149-R152 PolarHBondContact O-N 3.28Å; G150-R152 PolarHBondContact O-N 2.9Å; R152-L154 PolarHBondContact O-N 3.36Å; R152-Q155 PolarHBondContact O-N 2.86Å; R152-S189 WeakPolarHBondContact CD-O 3.45Å; R152-S189 VanDerWaalsContact CG-O 3.25Å; R152-S189 WeakPolarHBondContact CG-O 3.4Å; R152-S189 PolarHBondContact NH1-O 2.9Å; R152-S189 PolarHBondContact NH1-OG 2.98Å; R152-G190 PolarHBondContact N-O 2.71Å
153A98.8Very high98.9Very high52 Ų5235.6 Ų35.643%0.4318%0.182SC..Hα-helixtrans-66.1-19.9-179.400000113.1A149 G150 L151A149-A153 PolarHBondContact O-N 3.39Å; G150-A153 WeakPolarHBondContact O-CB 3.43Å; G150-A153 PolarHBondContact O-N 3.38Å; G150-A153 VanDerWaalsContact O-N 3.13Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.4Å
154L98.9Very high98.9Very high12 Ų1235.2 Ų35.26%0.06318%0.181CC..Hα-helixtrans-86.7-15.6179.1-62.2178.7000113.7I122 G150 L151 R152 F161 C162 P165I122-L154 HydrophobicContact CB-CD1 3.78Å; I122-L154 HydrophobicContact CD1-CD1 4.13Å; I122-L154 HydrophobicContact CG1-CD1 4.09Å; G150-L154 WeakPolarHBondContact O-CG 3.31Å; G150-L154 PolarHBondContact O-N 2.56Å; L151-L154 PolarHBondContact O-N 2.9Å; L151-L154 VanDerWaalsContact O-N 3.16Å; R152-L154 PolarHBondContact O-N 3.36Å; L154-F161 HydrophobicContact CB-CD1 4.08Å; L154-F161 CarbonylContact O-C 3.59Å; L154-F161 VanDerWaalsContact O-CA 3.28Å; L154-F161 WeakPolarHBondContact O-CA 3.22Å; L154-C162 PolarHBondContact O-N 3.35Å; L154-P165 HydrophobicContact CD2-CB 4.35Å
155Q98.9Very high98.9Very high34 Ų3434.8 Ų34.816%0.15918%0.184CC..BIsolated β-bridgetrans-77.1131.5-177.8-160.817619.100111.5R152 G159 S160 F161 D192R152-Q155 PolarHBondContact O-N 2.86Å; Q155-G159 PolarHBondContact NE2-O 3.42Å; Q155-S160 CarbonylContact C-O 3.54Å; Q155-S160 WeakPolarHBondContact CA-O 3.43Å; Q155-S160 WeakPolarHBondContact CG-O 3.47Å; Q155-F161 HydrophobicContact CB-CD1 3.85Å; Q155-F161 HydrophobicContact CB-CE1 3.47Å; Q155-F161 VanDerWaalsContact CB-CE1 3.47Å; Q155-F161 HydrophobicContact CB-CE2 4.44Å; Q155-F161 HydrophobicContact CB-CG 4.49Å; Q155-F161 HydrophobicContact CB-CZ 3.77Å; Q155-F161 VanDerWaalsContact CD-CZ 3.49Å; Q155-F161 HydrophobicContact CG-CD1 4.22Å; Q155-F161 HydrophobicContact CG-CD2 4.29Å; Q155-F161 HydrophobicContact CG-CE1 3.76Å; Q155-F161 HydrophobicContact CG-CE2 3.8Å; Q155-F161 HydrophobicContact CG-CG 4.46Å; Q155-F161 HydrophobicContact CG-CZ 3.5Å; Q155-D192 PolarHBondContact NE2-O 2.82Å
156L98.9Very high98.9Very high60 Ų6034.5 Ų34.531%0.31418%0.183SC..  trans-91.1170.6178.3-57.8-173.6000112.3D158 G159 S160 N170L156-D158 VanDerWaalsContact C-N 3.26Å; L156-D158 PolarHBondContact O-N 3.07Å; L156-G159 PolarHBondContact O-N 3.2Å; L156-S160 PolarHBondContact N-O 2.81Å; L156-N170 HydrophobicContact CD1-CB 3.49Å; L156-N170 VanDerWaalsContact CD1-CB 3.49Å
157E98.8Very high98.8Very high173 Ų17336.8 Ų36.881%0.80821%0.206SC*.THydrogen-bonded Turntrans-58.9-37-179.1-170.9179.3-176.700112.9G159E157-G159 PolarHBondContact O-N 2.83Å
158D98.7Very high98.8Very high72 Ų7238.6 Ų38.639%0.38522%0.219SC..THydrogen-bonded Turntrans-74.8-9.4179.773.9-4.1000114L156 S160 Y199L156-D158 VanDerWaalsContact C-N 3.26Å; L156-D158 PolarHBondContact O-N 3.07Å; D158-S160 WeakPolarHBondContact OD1-CB 3.28Å; D158-S160 PolarHBondContact OD1-N 3.32Å; D158-S160 PolarHBondContact OD1-OG 3.03Å; D158-S160 PolarHBondContact OD2-OG 2.81Å; D158-Y199 HydrophobicContact CB-CD2 4.29Å; D158-Y199 VanDerWaalsContact OD2-CE2 3.22Å; D158-Y199 WeakPolarHBondContact OD2-CE2 3.19Å
159G98.9Very high98.8Very high0 Ų043.2 Ų43.20%024%0.24CC..SBendtrans97.1-7.8179.400000116Q155 L156 E157 A196Q155-G159 PolarHBondContact NE2-O 3.42Å; L156-G159 PolarHBondContact O-N 3.2Å; E157-G159 PolarHBondContact O-N 2.83Å; G159-A196 WeakPolarHBondContact O-CA 3.49Å
160S98.9Very high98.8Very high0 Ų045.1 Ų45.10%025%0.248CC..  trans-74.3177.1169.866.70000111.9Q155 L156 D158 N170 Y199Q155-S160 CarbonylContact C-O 3.54Å; Q155-S160 WeakPolarHBondContact CA-O 3.43Å; Q155-S160 WeakPolarHBondContact CG-O 3.47Å; L156-S160 PolarHBondContact N-O 2.81Å; D158-S160 WeakPolarHBondContact OD1-CB 3.28Å; D158-S160 PolarHBondContact OD1-N 3.32Å; D158-S160 PolarHBondContact OD1-OG 3.03Å; D158-S160 PolarHBondContact OD2-OG 2.81Å; S160-N170 PolarHBondContact OG-ND2 3.4Å; S160-Y199 VanDerWaalsContact CB-CE2 3.46Å; S160-Y199 VanDerWaalsContact CB-CZ 3.47Å
161F98.9Very high98.8Very high0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-127144.1-178-69.1-103.4000110.2I122 L151 L154 Q155 N170 F174 V175 A178 M191I122-F161 HydrophobicContact CD1-CB 4Å; I122-F161 HydrophobicContact CD1-CD1 4.11Å; I122-F161 HydrophobicContact CD1-CG 4.23Å; L151-F161 HydrophobicContact CG-CE1 4.34Å; L154-F161 HydrophobicContact CB-CD1 4.08Å; L154-F161 CarbonylContact O-C 3.59Å; L154-F161 VanDerWaalsContact O-CA 3.28Å; L154-F161 WeakPolarHBondContact O-CA 3.22Å; Q155-F161 HydrophobicContact CB-CD1 3.85Å; Q155-F161 HydrophobicContact CB-CE1 3.47Å; Q155-F161 VanDerWaalsContact CB-CE1 3.47Å; Q155-F161 HydrophobicContact CB-CE2 4.44Å; Q155-F161 HydrophobicContact CB-CG 4.49Å; Q155-F161 HydrophobicContact CB-CZ 3.77Å; Q155-F161 VanDerWaalsContact CD-CZ 3.49Å; Q155-F161 HydrophobicContact CG-CD1 4.22Å; Q155-F161 HydrophobicContact CG-CD2 4.29Å; Q155-F161 HydrophobicContact CG-CE1 3.76Å; Q155-F161 HydrophobicContact CG-CE2 3.8Å; Q155-F161 HydrophobicContact CG-CG 4.46Å; Q155-F161 HydrophobicContact CG-CZ 3.5Å; F161-N170 VanDerWaalsContact O-CA 3.31Å; F161-N170 WeakPolarHBondContact O-CA 3.32Å; F161-N170 WeakPolarHBondContact O-CB 3.37Å; F161-F174 HydrophobicContact CB-CB 3.68Å; F161-F174 WeakPolarHBondContact O-CB 3.22Å; F161-F174 VanDerWaalsContact O-CD2 3.27Å; F161-F174 WeakPolarHBondContact O-CD2 3.3Å; F161-V175 HydrophobicContact CD2-CG2 4.13Å; F161-A178 HydrophobicContact CD1-CB 3.98Å; F161-A178 HydrophobicContact CD2-CB 4Å; F161-A178 HydrophobicContact CE1-CB 3.76Å; F161-A178 HydrophobicContact CE2-CB 3.81Å; F161-A178 HydrophobicContact CG-CB 4.11Å; F161-A178 HydrophobicContact CZ-CB 3.69Å; F161-M191 HydrophobicContact CE1-CB 4.31Å; F161-M191 HydrophobicContact CZ-CB 3.62Å
162C98.9Very high98.8Very high15 Ų1545.5 Ų45.510%0.10125%0.249CC..EExtended strand (participates in β ladder)trans-78.7167.8158.7-74.90000110.7L154L154-C162 PolarHBondContact O-N 3.35Å
163A98.8Very high98.8Very high2 Ų245.5 Ų45.52%0.01725%0.249CC..SBendtrans-82.8-40.1176.800000113.1H121 I122 S168 F174H121-A163 CarbonylContact C-O 3.57Å; H121-A163 WeakPolarHBondContact CA-O 3.17Å; I122-A163 HydrophobicContact CG2-CB 4.38Å; I122-A163 PolarHBondContact N-O 3.4Å; A163-S168 WeakPolarHBondContact CB-OG 3.47Å; A163-S168 PolarHBondContact N-OG 2.75Å; A163-F174 HydrophobicContact CB-CD1 4.4Å; A163-F174 HydrophobicContact CB-CD2 4.36Å; A163-F174 HydrophobicContact CB-CE1 3.85Å; A163-F174 HydrophobicContact CB-CE2 3.8Å; A163-F174 HydrophobicContact CB-CZ 3.52Å
164V98.9Very high98.8Very high31 Ų3143.4 Ų43.419%0.18823%0.23CC..SBendtrans-136.7151.5-173.6-650000110.3H121 E166 G167H121-V164 HydrophobicContact CB-CG1 3.94Å; V164-E166 VanDerWaalsContact C-N 3.26Å; V164-E166 HydrophobicContact CG2-CB 4.46Å; V164-E166 PolarHBondContact O-N 3.45Å; V164-G167 PolarHBondContact O-N 2.89Å; V164-G167 VanDerWaalsContact O-N 3.14Å
165P98.6Very high98.8Very high47 Ų4742.8 Ų42.831%0.30523%0.227SC..THydrogen-bonded Turntrans-70.1-20.9-177.326.9-34000113.4R92 L154 G167R92-P165 HydrophobicContact CB-CG 4.2Å; R92-P165 HydrophobicContact CG-CB 4.25Å; R92-P165 HydrophobicContact CG-CG 3.67Å; L154-P165 HydrophobicContact CD2-CB 4.35Å; P165-G167 PolarHBondContact O-N 3.11Å
166E98.6Very high98.8Very high94 Ų9441.6 Ų41.644%0.43922%0.221SC..THydrogen-bonded Turntrans-68.2-13.8172.7-68.170.4-153.400113R92 S119 V164R92-E166 IonicContact CZ-OE1 3.22Å; R92-E166 IonicContact NE-OE1 2.88Å; R92-E166 IonicContact NH1-OE1 2.72Å; R92-E166 PolarHBondContact NH1-OE1 3.16Å; S119-E166 WeakPolarHBondContact CB-OE2 3.28Å; S119-E166 PolarHBondContact OG-OE1 3.31Å; S119-E166 PolarHBondContact OG-OE2 2.93Å; V164-E166 VanDerWaalsContact C-N 3.26Å; V164-E166 HydrophobicContact CG2-CB 4.46Å; V164-E166 PolarHBondContact O-N 3.45Å
167G98.1Very high98.8Very high48 Ų4839.2 Ų39.250%0.49521%0.21SC..  trans104.3141.8-177.200000113V164 P165V164-G167 PolarHBondContact O-N 2.89Å; V164-G167 VanDerWaalsContact O-N 3.14Å; P165-G167 PolarHBondContact O-N 3.11Å
168S98.8Very high98.8Very high40 Ų4031 Ų3128%0.2817%0.171SC..  trans-156.4-173.2176.667.50000109.5A163A163-S168 WeakPolarHBondContact CB-OG 3.47Å; A163-S168 PolarHBondContact N-OG 2.75Å
169E98.8Very high98.8Very high98 Ų9827.6 Ų27.646%0.45815%0.153SC..  trans-62.9160.116081.2-73.1-170.900111.6R173 F174E169-R173 VanDerWaalsContact CG-NH2 3.27Å; E169-R173 IonicContact OE1-CZ 3.75Å; E169-R173 IonicContact OE1-NH1 3.4Å; E169-R173 IonicContact OE1-NH2 3.61Å; E169-R173 PolarHBondContact OE1-NH2 3.41Å; E169-F174 HydrophobicContact CG-CE2 4.15Å; E169-F174 WeakPolarHBondContact O-CE2 3.2Å
170N98.8Very high98.8Very high59 Ų5927.6 Ų27.632%0.31615%0.153SC..EExtended strand (participates in β ladder)trans-132.5127.8177.763.5-70.1000110.7L156 S160 F161L156-N170 HydrophobicContact CD1-CB 3.49Å; L156-N170 VanDerWaalsContact CD1-CB 3.49Å; S160-N170 PolarHBondContact OG-ND2 3.4Å; F161-N170 VanDerWaalsContact O-CA 3.31Å; F161-N170 WeakPolarHBondContact O-CA 3.32Å; F161-N170 WeakPolarHBondContact O-CB 3.37Å
171D98.9Very high98.8Very high18 Ų1827.6 Ų27.610%0.09615%0.153CC..EExtended strand (participates in β ladder)trans-162.8-175.4177.762.551.2000113.1R173 F174 V175 Q212D171-R173 VanDerWaalsContact CG-NE 3.33Å; D171-R173 PolarHBondContact O-N 2.93Å; D171-R173 VanDerWaalsContact O-N 3.12Å; D171-R173 WeakPolarHBondContact OD1-CB 3.47Å; D171-R173 WeakPolarHBondContact OD1-CG 3.46Å; D171-R173 IonicContact OD1-CZ 3.13Å; D171-R173 PolarHBondContact OD1-N 2.84Å; D171-R173 IonicContact OD1-NE 3.24Å; D171-R173 PolarHBondContact OD1-NE 3.21Å; D171-R173 IonicContact OD1-NH2 2.68Å; D171-R173 IonicContact OD2-CZ 3.81Å; D171-R173 VanDerWaalsContact OD2-CZ 3.22Å; D171-R173 IonicContact OD2-NE 3.25Å; D171-R173 PolarHBondContact OD2-NE 3Å; D171-R173 IonicContact OD2-NH2 3.77Å; D171-R173 PolarHBondContact OD2-NH2 3.04Å; D171-F174 PolarHBondContact O-N 3.13Å; D171-F174 VanDerWaalsContact O-N 3.12Å; D171-V175 PolarHBondContact O-N 3.49Å; D171-Q212 HydrophobicContact CB-CB 4.07Å; D171-Q212 PolarHBondContact OD1-OE1 3.22Å
172M98.9Very high98.8Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-56.9-24.5-177.8-155.962.762.800114.5F174 V175 Y176 Y199 I200 S203 Q212 S222 C225M172-F174 VanDerWaalsContact C-N 3.28Å; M172-F174 PolarHBondContact O-N 2.62Å; M172-V175 PolarHBondContact O-N 3.29Å; M172-V175 HydrophobicContact SD-CB 4.2Å; M172-V175 HydrophobicContact SD-CG1 4.34Å; M172-V175 HydrophobicContact SD-CG2 4.37Å; M172-Y176 PolarHBondContact O-N 3.23Å; M172-Y176 VanDerWaalsContact O-N 3.16Å; M172-Y199 HydrophobicContact CE-CD1 3.79Å; M172-Y199 HydrophobicContact CE-CE1 3.75Å; M172-Y199 HydrophobicContact SD-CD1 4.33Å; M172-Y199 HydrophobicContact SD-CE1 4.46Å; M172-I200 HydrophobicContact SD-CG1 3.84Å; M172-S203 WeakPolarHBondContact CE-OG 3.2Å; M172-Q212 PolarHBondContact N-O 2.97Å; M172-Q212 VanDerWaalsContact N-O 3.1Å; M172-S222 WeakPolarHBondContact CG-O 3.36Å; M172-C225 HydrophobicContact CB-CB 4.23Å; M172-C225 HydrophobicContact CG-CB 3.55Å; M172-C225 WeakPolarHBondContact O-CB 3.27Å
173R98.9Very high98.8Very high100 Ų10030.3 Ų30.338%0.37716%0.162SC..Hα-helixtrans-60.1-43.1176.7-62.3174.3-70.4152.70.1110.6E169 D171 Y176 C177E169-R173 VanDerWaalsContact CG-NH2 3.27Å; E169-R173 IonicContact OE1-CZ 3.75Å; E169-R173 IonicContact OE1-NH1 3.4Å; E169-R173 IonicContact OE1-NH2 3.61Å; E169-R173 PolarHBondContact OE1-NH2 3.41Å; D171-R173 VanDerWaalsContact CG-NE 3.33Å; D171-R173 PolarHBondContact O-N 2.93Å; D171-R173 VanDerWaalsContact O-N 3.12Å; D171-R173 WeakPolarHBondContact OD1-CB 3.47Å; D171-R173 WeakPolarHBondContact OD1-CG 3.46Å; D171-R173 IonicContact OD1-CZ 3.13Å; D171-R173 PolarHBondContact OD1-N 2.84Å; D171-R173 IonicContact OD1-NE 3.24Å; D171-R173 PolarHBondContact OD1-NE 3.21Å; D171-R173 IonicContact OD1-NH2 2.68Å; D171-R173 IonicContact OD2-CZ 3.81Å; D171-R173 VanDerWaalsContact OD2-CZ 3.22Å; D171-R173 IonicContact OD2-NE 3.25Å; D171-R173 PolarHBondContact OD2-NE 3Å; D171-R173 IonicContact OD2-NH2 3.77Å; D171-R173 PolarHBondContact OD2-NH2 3.04Å; R173-Y176 PolarHBondContact O-N 3.48Å; R173-C177 PolarHBondContact O-N 3.32Å; R173-C177 VanDerWaalsContact O-N 3.09Å; R173-C177 PolarHBondContact O-SG 3.33Å
174F98.9Very high98.8Very high8 Ų830.3 Ų30.34%0.03516%0.161CC..Hα-helixtrans-81.2-26.1-176.3-55.7-41000112.4I122 F161 A163 E169 D171 M172 Y176 C177 A178I122-F174 HydrophobicContact CD1-CB 4.24Å; I122-F174 WeakPolarHBondContact CD1-O 3.28Å; I122-F174 HydrophobicContact CG2-CB 4.05Å; I122-F174 HydrophobicContact CG2-CD1 3.31Å; I122-F174 HydrophobicContact CG2-CE1 4Å; I122-F174 HydrophobicContact CG2-CG 3.85Å; F161-F174 HydrophobicContact CB-CB 3.68Å; F161-F174 WeakPolarHBondContact O-CB 3.22Å; F161-F174 VanDerWaalsContact O-CD2 3.27Å; F161-F174 WeakPolarHBondContact O-CD2 3.3Å; A163-F174 HydrophobicContact CB-CD1 4.4Å; A163-F174 HydrophobicContact CB-CD2 4.36Å; A163-F174 HydrophobicContact CB-CE1 3.85Å; A163-F174 HydrophobicContact CB-CE2 3.8Å; A163-F174 HydrophobicContact CB-CZ 3.52Å; E169-F174 HydrophobicContact CG-CE2 4.15Å; E169-F174 WeakPolarHBondContact O-CE2 3.2Å; D171-F174 PolarHBondContact O-N 3.13Å; D171-F174 VanDerWaalsContact O-N 3.12Å; M172-F174 VanDerWaalsContact C-N 3.28Å; M172-F174 PolarHBondContact O-N 2.62Å; F174-Y176 VanDerWaalsContact C-N 3.31Å; F174-Y176 PolarHBondContact O-N 3.02Å; F174-C177 PolarHBondContact O-N 2.94Å; F174-A178 WeakPolarHBondContact O-CB 3.5Å; F174-A178 PolarHBondContact O-N 2.91Å
175V98.9Very high98.8Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-59.5-43.2166.4178.80000111.1F161 D171 M172 A178 S179 Y199 I200F161-V175 HydrophobicContact CD2-CG2 4.13Å; D171-V175 PolarHBondContact O-N 3.49Å; M172-V175 PolarHBondContact O-N 3.29Å; M172-V175 HydrophobicContact SD-CB 4.2Å; M172-V175 HydrophobicContact SD-CG1 4.34Å; M172-V175 HydrophobicContact SD-CG2 4.37Å; V175-A178 PolarHBondContact O-N 3.15Å; V175-S179 WeakPolarHBondContact O-CB 3.45Å; V175-S179 PolarHBondContact O-N 3.33Å; V175-S179 PolarHBondContact O-OG 2.93Å; V175-Y199 HydrophobicContact CG2-CD1 3.95Å; V175-Y199 HydrophobicContact CG2-CE1 4.29Å; V175-I200 HydrophobicContact CG1-CD1 3.96Å; V175-I200 HydrophobicContact CG1-CG1 4.06Å
176Y99Very high98.8Very high9 Ų930.3 Ų30.34%0.03516%0.157CC..Hα-helixtrans-67.2-42.5176.1176.5-108.6000112.8Y126 M172 R173 F174 A178 S179 C180 F224 C225 A228 S229 L232 A343 N345Y126-Y176 HydrophobicContact CE1-CE1 4.21Å; M172-Y176 PolarHBondContact O-N 3.23Å; M172-Y176 VanDerWaalsContact O-N 3.16Å; R173-Y176 PolarHBondContact O-N 3.48Å; F174-Y176 VanDerWaalsContact C-N 3.31Å; F174-Y176 PolarHBondContact O-N 3.02Å; Y176-A178 VanDerWaalsContact C-N 3.34Å; Y176-A178 PolarHBondContact O-N 3.46Å; Y176-S179 PolarHBondContact O-N 2.95Å; Y176-C180 WeakPolarHBondContact CE2-SG 3.41Å; Y176-C180 PolarHBondContact O-N 3.47Å; Y176-C180 PolarHBondContact O-SG 3.35Å; Y176-F224 HydrophobicContact CD1-CE1 4.3Å; Y176-F224 HydrophobicContact CD2-CE1 4.26Å; Y176-F224 AromaticContact CE1-CE1 3.82Å; Y176-F224 HydrophobicContact CE1-CE1 3.82Å; Y176-F224 AromaticContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CZ 4.14Å; Y176-F224 HydrophobicContact CG-CE1 4.5Å; Y176-F224 AromaticContact CZ-CE1 3.53Å; Y176-F224 AromaticContact CZ-CZ 3.86Å; Y176-C225 HydrophobicContact CG-CB 4.36Å; Y176-A228 HydrophobicContact CD2-CB 3.97Å; Y176-A228 HydrophobicContact CE2-CB 3.63Å; Y176-S229 WeakPolarHBondContact CA-OG 3.12Å; Y176-L232 HydrophobicContact CE2-CD1 4.21Å; Y176-A343 WeakPolarHBondContact CE2-O 3.28Å; Y176-A343 PolarHBondContact OH-O 3.4Å; Y176-N345 WeakPolarHBondContact OH-CB 3.2Å
177C98.9Very high98.8Very high10 Ų1028.2 Ų28.27%0.06815%0.149CC..Hα-helixtrans-58.5-47174.8-63.50000111I122 R173 F174 S179 C180 I181I122-C177 HydrophobicContact CB-CB 4.49Å; I122-C177 HydrophobicContact CD1-CB 4.15Å; I122-C177 HydrophobicContact CG1-CB 3.84Å; I122-C177 HydrophobicContact CG2-CB 4.15Å; R173-C177 PolarHBondContact O-N 3.32Å; R173-C177 VanDerWaalsContact O-N 3.09Å; R173-C177 PolarHBondContact O-SG 3.33Å; F174-C177 PolarHBondContact O-N 2.94Å; C177-S179 VanDerWaalsContact C-N 3.32Å; C177-S179 PolarHBondContact O-N 3.42Å; C177-C180 PolarHBondContact O-N 3.08Å; C177-I181 WeakPolarHBondContact O-CD1 3.36Å; C177-I181 VanDerWaalsContact O-CG1 3.27Å; C177-I181 WeakPolarHBondContact O-CG1 3.38Å; C177-I181 PolarHBondContact O-N 3.11Å
178A98.9Very high98.9Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-59.2-43.417700000112.1I122 L151 F161 F174 V175 Y176 C180 I181 C182 M191I122-A178 HydrophobicContact CD1-CB 4.04Å; L151-A178 HydrophobicContact CD1-CB 3.97Å; L151-A178 HydrophobicContact CD2-CB 4.19Å; L151-A178 HydrophobicContact CG-CB 4.31Å; F161-A178 HydrophobicContact CD1-CB 3.98Å; F161-A178 HydrophobicContact CD2-CB 4Å; F161-A178 HydrophobicContact CE1-CB 3.76Å; F161-A178 HydrophobicContact CE2-CB 3.81Å; F161-A178 HydrophobicContact CG-CB 4.11Å; F161-A178 HydrophobicContact CZ-CB 3.69Å; F174-A178 WeakPolarHBondContact O-CB 3.5Å; F174-A178 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.15Å; Y176-A178 VanDerWaalsContact C-N 3.34Å; Y176-A178 PolarHBondContact O-N 3.46Å; A178-C180 PolarHBondContact O-N 3.27Å; A178-I181 PolarHBondContact O-N 3.48Å; A178-C182 PolarHBondContact O-N 2.94Å; A178-M191 HydrophobicContact CB-CE 3.62Å; A178-M191 WeakPolarHBondContact O-CE 3.43Å
179S98.9Very high98.9Very high0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-62.9-42.2179-57.20000111.9V175 Y176 C177 Y183 S229 M233V175-S179 WeakPolarHBondContact O-CB 3.45Å; V175-S179 PolarHBondContact O-N 3.33Å; V175-S179 PolarHBondContact O-OG 2.93Å; Y176-S179 PolarHBondContact O-N 2.95Å; C177-S179 VanDerWaalsContact C-N 3.32Å; C177-S179 PolarHBondContact O-N 3.42Å; S179-Y183 VanDerWaalsContact O-CB 3.22Å; S179-Y183 WeakPolarHBondContact O-CB 3.37Å; S179-Y183 PolarHBondContact O-N 3.46Å; S179-S229 VanDerWaalsContact OG-CB 3.29Å; S179-S229 WeakPolarHBondContact OG-CB 3.5Å; S179-S229 PolarHBondContact OG-OG 3.23Å; S179-M233 WeakPolarHBondContact OG-CE 3.45Å
180C98.9Very high98.9Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-65.8-42.3176.2-66.70000112.1Y126 Y176 C177 A178 Y183 M184Y126-C180 HydrophobicContact CD2-CB 3.36Å; Y126-C180 HydrophobicContact CE2-CB 3.52Å; Y126-C180 HydrophobicContact CG-CB 4.14Å; Y176-C180 WeakPolarHBondContact CE2-SG 3.41Å; Y176-C180 PolarHBondContact O-N 3.47Å; Y176-C180 PolarHBondContact O-SG 3.35Å; C177-C180 PolarHBondContact O-N 3.08Å; A178-C180 PolarHBondContact O-N 3.27Å; C180-Y183 PolarHBondContact O-N 2.88Å; C180-M184 HydrophobicContact CB-CE 4.36Å; C180-M184 WeakPolarHBondContact O-CB 3.33Å; C180-M184 WeakPolarHBondContact O-CE 3.35Å; C180-M184 VanDerWaalsContact O-CG 3.28Å; C180-M184 WeakPolarHBondContact O-CG 3.35Å; C180-M184 PolarHBondContact O-N 3.12Å
181I98.9Very high98.9Very high0 Ų022.8 Ų22.80%011%0.108CC..Hα-helixtrans-60.9-52.8177.9-66.5161.1000110.2I122 T125 L129 L151 C177 A178 Y183 M184 L185I122-I181 HydrophobicContact CG1-CD1 3.86Å; T125-I181 HydrophobicContact CG2-CD1 3.75Å; T125-I181 HydrophobicContact CG2-CG1 4.08Å; T125-I181 HydrophobicContact CG2-CG2 4.33Å; L129-I181 HydrophobicContact CD1-CG1 4.33Å; L129-I181 HydrophobicContact CD1-CG2 4.01Å; L151-I181 HydrophobicContact CD1-CD1 3.77Å; L151-I181 HydrophobicContact CD2-CB 4.05Å; L151-I181 HydrophobicContact CD2-CG2 3.89Å; C177-I181 WeakPolarHBondContact O-CD1 3.36Å; C177-I181 VanDerWaalsContact O-CG1 3.27Å; C177-I181 WeakPolarHBondContact O-CG1 3.38Å; C177-I181 PolarHBondContact O-N 3.11Å; A178-I181 PolarHBondContact O-N 3.48Å; I181-Y183 VanDerWaalsContact C-N 3.28Å; I181-Y183 PolarHBondContact O-N 3.23Å; I181-M184 PolarHBondContact O-N 3.38Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.46Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 WeakPolarHBondContact O-CG 3.19Å; I181-L185 PolarHBondContact O-N 3.27Å
182C98.9Very high98.9Very high0 Ų025.1 Ų25.10%012%0.12CC..Hα-helixtrans-58-41.6177.7-73.50000112.1A178 N186 N187 W188 M191A178-C182 PolarHBondContact O-N 2.94Å; C182-N186 WeakPolarHBondContact O-CA 3.4Å; C182-N186 PolarHBondContact O-N 3.47Å; C182-N187 WeakPolarHBondContact CA-O 3.47Å; C182-N187 WeakPolarHBondContact CB-O 3.44Å; C182-N187 PolarHBondContact O-N 3.38Å; C182-W188 HydrophobicContact CB-CD2 3.75Å; C182-W188 HydrophobicContact CB-CE3 3.47Å; C182-W188 VanDerWaalsContact CB-CE3 3.47Å; C182-W188 HydrophobicContact CB-CG 4.3Å; C182-W188 HydrophobicContact CB-CH2 4.4Å; C182-W188 HydrophobicContact CB-CZ3 3.84Å; C182-M191 HydrophobicContact CB-CE 4.18Å
183Y98.9Very high98.9Very high73 Ų7327.3 Ų27.329%0.28613%0.131SC..Hα-helixtrans-64.7-49177.6-172.9-87.1000112S179 C180 I181 L185 N186 W188 L232 L344 L354 H358S179-Y183 VanDerWaalsContact O-CB 3.22Å; S179-Y183 WeakPolarHBondContact O-CB 3.37Å; S179-Y183 PolarHBondContact O-N 3.46Å; C180-Y183 PolarHBondContact O-N 2.88Å; I181-Y183 VanDerWaalsContact C-N 3.28Å; I181-Y183 PolarHBondContact O-N 3.23Å; Y183-L185 VanDerWaalsContact C-N 3.34Å; Y183-L185 PolarHBondContact O-N 2.96Å; Y183-N186 PolarHBondContact O-N 3.31Å; Y183-W188 HydrophobicContact CD2-CZ2 4.29Å; Y183-L232 HydrophobicContact CD1-CD2 4Å; Y183-L232 HydrophobicContact CD2-CB 4.01Å; Y183-L232 HydrophobicContact CD2-CD2 3.68Å; Y183-L232 HydrophobicContact CD2-CG 4.44Å; Y183-L232 WeakPolarHBondContact CD2-O 3.33Å; Y183-L232 HydrophobicContact CE1-CD2 4.25Å; Y183-L232 HydrophobicContact CE2-CD2 3.94Å; Y183-L232 HydrophobicContact CG-CB 4.43Å; Y183-L232 HydrophobicContact CG-CD2 3.71Å; Y183-L344 HydrophobicContact CD1-CD1 3.65Å; Y183-L344 HydrophobicContact CD1-CD2 4.16Å; Y183-L344 HydrophobicContact CE1-CD1 4.16Å; Y183-L344 HydrophobicContact CE1-CD2 3.9Å; Y183-L344 HydrophobicContact CG-CD1 4.43Å; Y183-L354 HydrophobicContact CD1-CD2 4.11Å; Y183-L354 HydrophobicContact CE1-CD2 3.99Å; Y183-H358 PolarHBondContact O-CE1 3.45Å; Y183-H358 PolarHBondContact O-NE2 3.31Å
184M98.9Very high98.9Very high1 Ų130.8 Ų30.81%0.00515%0.149CC..Hα-helixtrans-65.3-37-179.6-71.9-175.1-59.100112.6Y126 L129 I133 C180 I181 N186 L344 L354 H358Y126-M184 HydrophobicContact CD2-CE 3.68Å; Y126-M184 HydrophobicContact CE2-CE 4.26Å; Y126-M184 WeakPolarHBondContact O-CE 3.31Å; L129-M184 HydrophobicContact CB-CE 3.61Å; L129-M184 HydrophobicContact CB-SD 4.26Å; L129-M184 HydrophobicContact CD1-CE 4.24Å; I133-M184 HydrophobicContact CD1-CB 3.96Å; I133-M184 HydrophobicContact CD1-CG 3.75Å; I133-M184 HydrophobicContact CD1-SD 3.52Å; I133-M184 VanDerWaalsContact CD1-SD 3.52Å; C180-M184 HydrophobicContact CB-CE 4.36Å; C180-M184 WeakPolarHBondContact O-CB 3.33Å; C180-M184 WeakPolarHBondContact O-CE 3.35Å; C180-M184 VanDerWaalsContact O-CG 3.28Å; C180-M184 WeakPolarHBondContact O-CG 3.35Å; C180-M184 PolarHBondContact O-N 3.12Å; I181-M184 PolarHBondContact O-N 3.38Å; M184-N186 PolarHBondContact O-N 3.03Å; M184-L344 HydrophobicContact CG-CD1 4.1Å; M184-L354 HydrophobicContact CB-CD2 4.47Å; M184-L354 HydrophobicContact CG-CD2 3.98Å; M184-H358 PolarHBondContact O-NE2 2.88Å
185L98.8Very high98.9Very high7 Ų734.4 Ų34.44%0.03717%0.165CC..THydrogen-bonded Turntrans-80.6-1.5174.2-61.7-176.1000113.3L129 L139 V142 K144 C147 L148 I181 Y183 N187L129-L185 HydrophobicContact CD1-CD1 4.28Å; L129-L185 HydrophobicContact CD1-CD2 4.11Å; L129-L185 HydrophobicContact CD1-CG 4.09Å; L129-L185 HydrophobicContact CD2-CD2 4.19Å; L139-L185 HydrophobicContact CD2-CD2 4.45Å; V142-L185 HydrophobicContact CG1-CD2 4.5Å; K144-L185 HydrophobicContact CG-CD2 4.15Å; C147-L185 HydrophobicContact CB-CD1 4.1Å; L148-L185 HydrophobicContact CD2-CD1 4.04Å; L148-L185 HydrophobicContact CG-CD1 4.07Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.46Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 WeakPolarHBondContact O-CG 3.19Å; I181-L185 PolarHBondContact O-N 3.27Å; Y183-L185 VanDerWaalsContact C-N 3.34Å; Y183-L185 PolarHBondContact O-N 2.96Å; L185-N187 PolarHBondContact O-N 3.27Å; L185-N187 VanDerWaalsContact O-N 3.14Å
186N98.6Very high98.9Very high71 Ų7134.4 Ų34.438%0.3817%0.165SC..THydrogen-bonded Turntrans49.434.7-175.7-167.842.2000113.4C182 Y183 M184 W361C182-N186 WeakPolarHBondContact O-CA 3.4Å; C182-N186 PolarHBondContact O-N 3.47Å; Y183-N186 PolarHBondContact O-N 3.31Å; M184-N186 PolarHBondContact O-N 3.03Å; N186-W361 HydrophobicContact CB-CE3 4.41Å; N186-W361 HydrophobicContact CB-CZ3 4.26Å
187N98.6Very high98.9Very high50 Ų5035.1 Ų35.127%0.26717%0.169SC..  trans-146.7113.3-176-173.6-20.6000109.6L148 C182 L185 S189L148-N187 HydrophobicContact CD1-CB 3.82Å; L148-N187 WeakPolarHBondContact CD1-ND2 3.43Å; C182-N187 WeakPolarHBondContact CA-O 3.47Å; C182-N187 WeakPolarHBondContact CB-O 3.44Å; C182-N187 PolarHBondContact O-N 3.38Å; L185-N187 PolarHBondContact O-N 3.27Å; L185-N187 VanDerWaalsContact O-N 3.14Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 WeakPolarHBondContact OD1-CB 3.15Å; N187-S189 PolarHBondContact OD1-N 2.72Å; N187-S189 PolarHBondContact OD1-OG 2.66Å
188W98.8Very high98.9Very high64 Ų6436.7 Ų36.724%0.24218%0.18CC..G310 helixtrans-89.34-177.9-67.790.7000113.8C182 Y183 G190 M191 M193 L232 M233C182-W188 HydrophobicContact CB-CD2 3.75Å; C182-W188 HydrophobicContact CB-CE3 3.47Å; C182-W188 VanDerWaalsContact CB-CE3 3.47Å; C182-W188 HydrophobicContact CB-CG 4.3Å; C182-W188 HydrophobicContact CB-CH2 4.4Å; C182-W188 HydrophobicContact CB-CZ3 3.84Å; Y183-W188 HydrophobicContact CD2-CZ2 4.29Å; W188-G190 PolarHBondContact O-N 2.68Å; W188-G190 VanDerWaalsContact O-N 3.1Å; W188-M191 HydrophobicContact CE3-CE 4.04Å; W188-M191 HydrophobicContact CE3-CG 4.31Å; W188-M191 HydrophobicContact CE3-SD 3.92Å; W188-M191 HydrophobicContact CZ3-CE 3.84Å; W188-M191 HydrophobicContact CZ3-SD 3.97Å; W188-M191 PolarHBondContact O-N 3.42Å; W188-M193 HydrophobicContact CB-CE 3.97Å; W188-M193 HydrophobicContact CD2-CE 3.36Å; W188-M193 HydrophobicContact CE3-CE 3.33Å; W188-M193 HydrophobicContact CG-CE 3.66Å; W188-M193 HydrophobicContact CZ3-CE 3.99Å; W188-L232 HydrophobicContact CH2-CB 4.22Å; W188-L232 WeakPolarHBondContact CZ2-O 3.39Å; W188-M233 HydrophobicContact CE3-CG 4.27Å; W188-M233 HydrophobicContact CH2-CB 4.15Å; W188-M233 HydrophobicContact CH2-CG 3.38Å; W188-M233 HydrophobicContact CZ2-CG 4.19Å; W188-M233 HydrophobicContact CZ3-CE 3.98Å; W188-M233 HydrophobicContact CZ3-CG 3.43Å; W188-M233 VanDerWaalsContact CZ3-CG 3.43Å
189S98.8Very high98.9Very high52 Ų5237.5 Ų37.536%0.36418%0.183SC..G310 helixtrans-64.8-10.317470.20000113.3R152 N187 M191R152-S189 WeakPolarHBondContact CD-O 3.45Å; R152-S189 VanDerWaalsContact CG-O 3.25Å; R152-S189 WeakPolarHBondContact CG-O 3.4Å; R152-S189 PolarHBondContact NH1-O 2.9Å; R152-S189 PolarHBondContact NH1-OG 2.98Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 WeakPolarHBondContact OD1-CB 3.15Å; N187-S189 PolarHBondContact OD1-N 2.72Å; N187-S189 PolarHBondContact OD1-OG 2.66Å; S189-M191 PolarHBondContact O-N 2.98Å
190G98.8Very high98.9Very high0 Ų037.5 Ų37.50%018%0.183CC..G310 helixtrans-69.5-6.9173.800000114.6L151 R152 W188L151-G190 CarbonylContact C-O 3.6Å; L151-G190 WeakPolarHBondContact CG-O 3.34Å; R152-G190 PolarHBondContact N-O 2.71Å; W188-G190 PolarHBondContact O-N 2.68Å; W188-G190 VanDerWaalsContact O-N 3.1Å
191M98.9Very high98.9Very high15 Ų1542 Ų427%0.07420%0.2CC..SBendtrans-151.8153.817964.1173.177.100114.1F161 A178 C182 W188 S189 M193 A196 M233F161-M191 HydrophobicContact CE1-CB 4.31Å; F161-M191 HydrophobicContact CZ-CB 3.62Å; A178-M191 HydrophobicContact CB-CE 3.62Å; A178-M191 WeakPolarHBondContact O-CE 3.43Å; C182-M191 HydrophobicContact CB-CE 4.18Å; W188-M191 HydrophobicContact CE3-CE 4.04Å; W188-M191 HydrophobicContact CE3-CG 4.31Å; W188-M191 HydrophobicContact CE3-SD 3.92Å; W188-M191 HydrophobicContact CZ3-CE 3.84Å; W188-M191 HydrophobicContact CZ3-SD 3.97Å; W188-M191 PolarHBondContact O-N 3.42Å; S189-M191 PolarHBondContact O-N 2.98Å; M191-M193 PolarHBondContact O-N 3.09Å; M191-A196 HydrophobicContact SD-CB 4.28Å; M191-M233 HydrophobicContact CE-CE 4.43Å; M191-M233 HydrophobicContact SD-CE 3.77Å
192D98.9Very high98.9Very high67 Ų6750.2 Ų50.236%0.35823%0.231SC..  trans-75.195.6153.9-176-26.5000109Q155 K194 K195 A196Q155-D192 PolarHBondContact NE2-O 2.82Å; D192-K194 VanDerWaalsContact C-N 3.26Å; D192-K194 PolarHBondContact O-N 3.35Å; D192-K194 WeakPolarHBondContact OD1-CB 3.31Å; D192-K194 PolarHBondContact OD1-N 3.43Å; D192-K195 HydrophobicContact CB-CB 4.19Å; D192-K195 HydrophobicContact CB-CD 4.2Å; D192-K195 HydrophobicContact CB-CG 4.32Å; D192-K195 PolarHBondContact O-N 2.91Å; D192-K195 PolarHBondContact OD1-N 3.21Å; D192-K195 VanDerWaalsContact OD2-CD 3.28Å; D192-K195 WeakPolarHBondContact OD2-CD 3.35Å; D192-K195 WeakPolarHBondContact OD2-CE 3.41Å; D192-K195 VanDerWaalsContact OD2-CG 3.31Å; D192-K195 WeakPolarHBondContact OD2-CG 3.35Å; D192-A196 PolarHBondContact O-N 3.27Å; D192-A196 VanDerWaalsContact O-N 3.09Å
193M98.9Very high98.9Very high46 Ų4650.2 Ų50.223%0.22723%0.232CC..Hα-helixtrans-61.2-33.9-179.1-174.5-176.8-69.900112.4W188 M191 A196 I197 M233 K235W188-M193 HydrophobicContact CB-CE 3.97Å; W188-M193 HydrophobicContact CD2-CE 3.36Å; W188-M193 HydrophobicContact CE3-CE 3.33Å; W188-M193 HydrophobicContact CG-CE 3.66Å; W188-M193 HydrophobicContact CZ3-CE 3.99Å; M191-M193 PolarHBondContact O-N 3.09Å; M193-A196 PolarHBondContact O-N 2.87Å; M193-I197 HydrophobicContact CG-CD1 3.88Å; M193-I197 HydrophobicContact CG-CG1 4.37Å; M193-I197 WeakPolarHBondContact O-CB 3.25Å; M193-I197 VanDerWaalsContact O-CG1 3.28Å; M193-I197 WeakPolarHBondContact O-CG1 3.39Å; M193-I197 PolarHBondContact O-N 2.87Å; M193-I197 HydrophobicContact SD-CD1 4.43Å; M193-M233 HydrophobicContact CE-CB 4.31Å; M193-M233 HydrophobicContact CE-CG 4.03Å; M193-M233 HydrophobicContact CG-CE 4.46Å; M193-M233 HydrophobicContact CG-CG 4.35Å; M193-M233 HydrophobicContact CG-SD 3.85Å; M193-M233 HydrophobicContact SD-CB 4.25Å; M193-M233 HydrophobicContact SD-CG 4.23Å; M193-M233 HydrophobicContact SD-SD 4.4Å; M193-K235 HydrophobicContact SD-CG 4.46Å
194K98.9Very high98.9Very high173 Ų17349 Ų4975%0.75223%0.229SC*.Hα-helixtrans-67.6-41.9-178.5-176.5178.9178-179.60110.6D192 S198D192-K194 VanDerWaalsContact C-N 3.26Å; D192-K194 PolarHBondContact O-N 3.35Å; D192-K194 WeakPolarHBondContact OD1-CB 3.31Å; D192-K194 PolarHBondContact OD1-N 3.43Å; K194-S198 PolarHBondContact O-N 3.2Å
195K98.9Very high98.8Very high85 Ų8549.9 Ų49.937%0.3724%0.235SC..Hα-helixtrans-65.4-44173.5-72.8-176.9-179.3-169.80111.8D192 I197 S198 Y199D192-K195 HydrophobicContact CB-CB 4.19Å; D192-K195 HydrophobicContact CB-CD 4.2Å; D192-K195 HydrophobicContact CB-CG 4.32Å; D192-K195 PolarHBondContact O-N 2.91Å; D192-K195 PolarHBondContact OD1-N 3.21Å; D192-K195 VanDerWaalsContact OD2-CD 3.28Å; D192-K195 WeakPolarHBondContact OD2-CD 3.35Å; D192-K195 WeakPolarHBondContact OD2-CE 3.41Å; D192-K195 VanDerWaalsContact OD2-CG 3.31Å; D192-K195 WeakPolarHBondContact OD2-CG 3.35Å; K195-I197 VanDerWaalsContact C-N 3.33Å; K195-I197 PolarHBondContact O-N 2.99Å; K195-S198 WeakPolarHBondContact O-CA 3.28Å; K195-S198 WeakPolarHBondContact O-CB 3.45Å; K195-S198 PolarHBondContact O-N 3.03Å; K195-S198 VanDerWaalsContact O-N 3.09Å; K195-Y199 PolarHBondContact O-N 3.31Å
196A98.9Very high98.8Very high0 Ų059.8 Ų59.80%027%0.274CS..Hα-helixtrans-58.2-44.7176.200000112G159 M191 D192 M193 S198 Y199 I200 M233G159-A196 WeakPolarHBondContact O-CA 3.49Å; M191-A196 HydrophobicContact SD-CB 4.28Å; D192-A196 PolarHBondContact O-N 3.27Å; D192-A196 VanDerWaalsContact O-N 3.09Å; M193-A196 PolarHBondContact O-N 2.87Å; A196-S198 VanDerWaalsContact C-N 3.34Å; A196-S198 PolarHBondContact O-N 3.33Å; A196-Y199 WeakPolarHBondContact O-CB 3.23Å; A196-Y199 PolarHBondContact O-N 3.31Å; A196-I200 WeakPolarHBondContact O-CG1 3.46Å; A196-I200 PolarHBondContact O-N 2.88Å; A196-M233 HydrophobicContact CB-CE 4.29Å
197I98.9Very high98.9Very high24 Ų2458.3 Ų58.312%0.12327%0.266CS..Hα-helixtrans-60.9-42.1174.2-72.6169.7000111.5M193 K195 Y199 I200 R201 L230 M233 K235 V239M193-I197 HydrophobicContact CG-CD1 3.88Å; M193-I197 HydrophobicContact CG-CG1 4.37Å; M193-I197 WeakPolarHBondContact O-CB 3.25Å; M193-I197 VanDerWaalsContact O-CG1 3.28Å; M193-I197 WeakPolarHBondContact O-CG1 3.39Å; M193-I197 PolarHBondContact O-N 2.87Å; M193-I197 HydrophobicContact SD-CD1 4.43Å; K195-I197 VanDerWaalsContact C-N 3.33Å; K195-I197 PolarHBondContact O-N 2.99Å; I197-Y199 VanDerWaalsContact C-N 3.34Å; I197-Y199 PolarHBondContact O-N 3.21Å; I197-I200 PolarHBondContact O-N 3.24Å; I197-R201 PolarHBondContact O-N 3.36Å; I197-L230 HydrophobicContact CG1-CD2 3.94Å; I197-M233 HydrophobicContact CD1-SD 4.39Å; I197-M233 HydrophobicContact CG1-SD 4.01Å; I197-K235 HydrophobicContact CD1-CB 4.27Å; I197-K235 HydrophobicContact CD1-CG 4.18Å; I197-V239 HydrophobicContact CD1-CG2 4.15Å; I197-V239 HydrophobicContact CG1-CG2 4.27Å; I197-V239 HydrophobicContact CG2-CB 4.42Å; I197-V239 HydrophobicContact CG2-CG1 4.02Å; I197-V239 HydrophobicContact CG2-CG2 3.45Å; I197-V239 VanDerWaalsContact CG2-CG2 3.45Å
198S98.9Very high98.9Very high43 Ų4357.7 Ų57.730%0.30126%0.263SS..Hα-helixtrans-58.9-44.9175.21740000111.4K194 K195 A196 R201 R202K194-S198 PolarHBondContact O-N 3.2Å; K195-S198 WeakPolarHBondContact O-CA 3.28Å; K195-S198 WeakPolarHBondContact O-CB 3.45Å; K195-S198 PolarHBondContact O-N 3.03Å; K195-S198 VanDerWaalsContact O-N 3.09Å; A196-S198 VanDerWaalsContact C-N 3.34Å; A196-S198 PolarHBondContact O-N 3.33Å; S198-R201 PolarHBondContact O-N 3.35Å; S198-R202 WeakPolarHBondContact O-CB 3.16Å; S198-R202 VanDerWaalsContact O-CG 3.25Å; S198-R202 WeakPolarHBondContact O-CG 3.26Å; S198-R202 PolarHBondContact O-N 3Å; S198-R202 PolarHBondContact OG-NE 3.33Å
199Y98.9Very high98.9Very high16 Ų1654.7 Ų54.76%0.06325%0.251CS..Hα-helixtrans-60.3-47.4175.5-169.7-96.7000111.9D158 S160 M172 V175 K195 A196 I197 R201 R202 S203 Q212 G213D158-Y199 HydrophobicContact CB-CD2 4.29Å; D158-Y199 VanDerWaalsContact OD2-CE2 3.22Å; D158-Y199 WeakPolarHBondContact OD2-CE2 3.19Å; S160-Y199 VanDerWaalsContact CB-CE2 3.46Å; S160-Y199 VanDerWaalsContact CB-CZ 3.47Å; M172-Y199 HydrophobicContact CE-CD1 3.79Å; M172-Y199 HydrophobicContact CE-CE1 3.75Å; M172-Y199 HydrophobicContact SD-CD1 4.33Å; M172-Y199 HydrophobicContact SD-CE1 4.46Å; V175-Y199 HydrophobicContact CG2-CD1 3.95Å; V175-Y199 HydrophobicContact CG2-CE1 4.29Å; K195-Y199 PolarHBondContact O-N 3.31Å; A196-Y199 WeakPolarHBondContact O-CB 3.23Å; A196-Y199 PolarHBondContact O-N 3.31Å; I197-Y199 VanDerWaalsContact C-N 3.34Å; I197-Y199 PolarHBondContact O-N 3.21Å; Y199-R201 PolarHBondContact O-N 3.45Å; Y199-R202 PolarHBondContact O-N 2.92Å; Y199-S203 PolarHBondContact O-N 3.37Å; Y199-Q212 PolarHBondContact OH-O 2.87Å; Y199-Q212 VanDerWaalsContact OH-O 3.04Å; Y199-G213 WeakPolarHBondContact OH-CA 3.5Å
200I98.9Very high98.9Very high0 Ų052.2 Ų52.20%023%0.234CC..Hα-helixtrans-57.1-48.7176.9-65.8166000110.7M172 V175 A196 I197 R202 S203 L210 L230 F240M172-I200 HydrophobicContact SD-CG1 3.84Å; V175-I200 HydrophobicContact CG1-CD1 3.96Å; V175-I200 HydrophobicContact CG1-CG1 4.06Å; A196-I200 WeakPolarHBondContact O-CG1 3.46Å; A196-I200 PolarHBondContact O-N 2.88Å; I197-I200 PolarHBondContact O-N 3.24Å; I200-R202 PolarHBondContact O-N 2.89Å; I200-S203 PolarHBondContact O-N 2.9Å; I200-S203 PolarHBondContact O-OG 3.37Å; I200-L210 HydrophobicContact CG2-CD2 3.84Å; I200-L230 HydrophobicContact CD1-CD2 3.88Å; I200-L230 HydrophobicContact CD1-CG 4.06Å; I200-L230 HydrophobicContact CG2-CD1 3.85Å; I200-L230 HydrophobicContact CG2-CD2 4.44Å; I200-L230 HydrophobicContact CG2-CG 4.08Å; I200-F240 HydrophobicContact CG2-CE2 4.4Å; I200-F240 HydrophobicContact CG2-CZ 4.46Å
201R98.9Very high98.9Very high94 Ų9452.2 Ų52.236%0.35523%0.234SC..Hα-helixtrans-61.1-44.7178.2-75.8-167.561.969.64.3112.4I197 S198 Y199 S203 M204 V239 F240 E244I197-R201 PolarHBondContact O-N 3.36Å; S198-R201 PolarHBondContact O-N 3.35Å; Y199-R201 PolarHBondContact O-N 3.45Å; R201-S203 PolarHBondContact O-N 3.41Å; R201-M204 PolarHBondContact O-N 3.44Å; R201-V239 HydrophobicContact CG-CG1 3.48Å; R201-V239 VanDerWaalsContact CG-CG1 3.48Å; R201-V239 PolarHBondContact NH1-O 3.42Å; R201-F240 HydrophobicContact CG-CE1 4.38Å; R201-E244 IonicContact CZ-OE1 3.43Å; R201-E244 IonicContact NH1-OE1 3.62Å; R201-E244 PolarHBondContact NH1-OE1 3.14Å; R201-E244 IonicContact NH1-OE2 3.35Å; R201-E244 IonicContact NH2-OE1 2.81Å; R201-E244 PolarHBondContact NH2-OE1 3.04Å
202R98.9Very high98.9Very high173 Ų17353.9 Ų53.965%0.65324%0.241SC*.Hα-helixtrans-65.7-21.9-179.6-71.7170.8-177.2-115.91.4113.2S198 Y199 I200 M204 A214S198-R202 WeakPolarHBondContact O-CB 3.16Å; S198-R202 VanDerWaalsContact O-CG 3.25Å; S198-R202 WeakPolarHBondContact O-CG 3.26Å; S198-R202 PolarHBondContact O-N 3Å; S198-R202 PolarHBondContact OG-NE 3.33Å; Y199-R202 PolarHBondContact O-N 2.92Å; I200-R202 PolarHBondContact O-N 2.89Å; R202-M204 VanDerWaalsContact C-N 3.31Å; R202-A214 HydrophobicContact CB-CB 4.17Å; R202-A214 WeakPolarHBondContact O-CA 3.37Å; R202-A214 WeakPolarHBondContact O-CB 3.18Å
203S98.9Very high98.9Very high1 Ų150.9 Ų50.91%0.00723%0.227CC..THydrogen-bonded Turntrans-77.2-12.8177.779.20000114.4M172 Y199 I200 R201 S205 A211M172-S203 WeakPolarHBondContact CE-OG 3.2Å; Y199-S203 PolarHBondContact O-N 3.37Å; I200-S203 PolarHBondContact O-N 2.9Å; I200-S203 PolarHBondContact O-OG 3.37Å; R201-S203 PolarHBondContact O-N 3.41Å; S203-S205 PolarHBondContact O-N 3.15Å; S203-A211 PolarHBondContact O-N 3.13Å
204M98.9Very high98.8Very high46 Ų4651.9 Ų51.923%0.22724%0.242CC..BIsolated β-bridgetrans-65.9118.9176.5-172.1172.966.400109.4R201 R202 L210 F240 E244 I248R201-M204 PolarHBondContact O-N 3.44Å; R202-M204 VanDerWaalsContact C-N 3.31Å; M204-L210 HydrophobicContact CB-CD1 4.34Å; M204-L210 HydrophobicContact CG-CD1 4.34Å; M204-F240 HydrophobicContact CE-CE1 4.4Å; M204-F240 HydrophobicContact SD-CD1 4.44Å; M204-F240 HydrophobicContact SD-CE1 3.92Å; M204-E244 HydrophobicContact CE-CG 4.23Å; M204-I248 HydrophobicContact SD-CD1 4.21Å; M204-I248 HydrophobicContact SD-CG1 4.25Å
205S98.8Very high98.8Very high20 Ų2047.6 Ų47.614%0.1425%0.247CC..  trans-82.1173-178.5-166.50000111.7S203 D207 N208 G209S203-S205 PolarHBondContact O-N 3.15Å; S205-D207 PolarHBondContact O-N 3.03Å; S205-N208 WeakPolarHBondContact O-CA 3.28Å; S205-N208 PolarHBondContact O-N 3.34Å; S205-G209 PolarHBondContact N-O 2.84Å
206Y98.8Very high98.8Very high215 Ų21548.2 Ų48.284%0.84325%0.254SS*.THydrogen-bonded Turntrans-63.2-27178.271.2-93.1000112.7
207D98.8Very high98.8Very high40 Ų4053.3 Ų53.321%0.21428%0.278CS..THydrogen-bonded Turntrans-84.60.1176.478.6-14.4000113S205 G209 S218 W251S205-D207 PolarHBondContact O-N 3.03Å; D207-G209 VanDerWaalsContact C-N 3.33Å; D207-G209 PolarHBondContact O-N 3.28Å; D207-G209 PolarHBondContact OD1-N 3.49Å; D207-S218 VanDerWaalsContact OD1-CB 3.28Å; D207-S218 WeakPolarHBondContact OD1-CB 3.46Å; D207-S218 PolarHBondContact OD1-OG 3.44Å; D207-S218 PolarHBondContact OD2-OG 3.34Å; D207-W251 VanDerWaalsContact CG-NE1 3.3Å; D207-W251 VanDerWaalsContact O-CD1 3.22Å; D207-W251 PolarHBondContact OD1-NE1 3.41Å; D207-W251 PolarHBondContact OD2-NE1 2.98Å
208N98.8Very high98.8Very high38 Ų3852.2 Ų52.220%0.20327%0.272CS..SBendtrans74.86.9174.4-39.9-87.4000116.2S205 R247 I248S205-N208 WeakPolarHBondContact O-CA 3.28Å; S205-N208 PolarHBondContact O-N 3.34Å; N208-R247 HydrophobicContact CB-CB 3.61Å; N208-R247 WeakPolarHBondContact OD1-CD 3.47Å; N208-I248 WeakPolarHBondContact O-CG1 3.46Å
209G98.8Very high98.8Very high0 Ų051.8 Ų51.80%027%0.265CS..SBendtrans-79.5165.1159.500000110.7S205 D207 S218 W251S205-G209 PolarHBondContact N-O 2.84Å; D207-G209 VanDerWaalsContact C-N 3.33Å; D207-G209 PolarHBondContact O-N 3.28Å; D207-G209 PolarHBondContact OD1-N 3.49Å; G209-S218 WeakPolarHBondContact O-CB 3.42Å; G209-W251 VanDerWaalsContact CA-CD2 3.47Å
210L98.9Very high98.8Very high0 Ų051 Ų510%026%0.262CS..BIsolated β-bridgetrans-96.9133.9172.8-81.363.5000109.6I200 M204 H219 S222 T223 F240 I248I200-L210 HydrophobicContact CG2-CD2 3.84Å; M204-L210 HydrophobicContact CB-CD1 4.34Å; M204-L210 HydrophobicContact CG-CD1 4.34Å; L210-H219 PolarHBondContact O-N 3.43Å; L210-S222 PolarHBondContact O-OG 3.45Å; L210-T223 PolarHBondContact N-OG1 3.07Å; L210-T223 PolarHBondContact O-OG1 3.34Å; L210-T223 VanDerWaalsContact O-OG1 3.09Å; L210-F240 HydrophobicContact CD1-CZ 4.35Å; L210-F240 HydrophobicContact CD2-CZ 4.47Å; L210-I248 HydrophobicContact CD1-CD1 4.12Å; L210-I248 HydrophobicContact CD1-CG1 4.26Å
211A98.9Very high98.8Very high0 Ų051.5 Ų51.50%027%0.268CS..BIsolated β-bridgetrans-94.9176.8178.700000112S203 G213 L216 E217 S222S203-A211 PolarHBondContact O-N 3.13Å; A211-G213 WeakPolarHBondContact CB-O 3.39Å; A211-G213 PolarHBondContact O-N 2.71Å; A211-L216 HydrophobicContact CB-CB 3.87Å; A211-L216 WeakPolarHBondContact CB-O 3.35Å; A211-E217 VanDerWaalsContact CB-O 3.22Å; A211-E217 WeakPolarHBondContact CB-O 3.48Å; A211-S222 VanDerWaalsContact C-CB 3.41Å; A211-S222 VanDerWaalsContact C-OG 3.26Å; A211-S222 WeakPolarHBondContact CA-OG 3.49Å; A211-S222 VanDerWaalsContact O-CB 3.28Å; A211-S222 WeakPolarHBondContact O-CB 3.39Å
212Q98.8Very high98.8Very high50 Ų5047 Ų4723%0.23425%0.251CS..SBendtrans-62.6-28.7175.9-71.1-63.4-200112.8D171 M172 Y199 L216D171-Q212 HydrophobicContact CB-CB 4.07Å; D171-Q212 PolarHBondContact OD1-OE1 3.22Å; M172-Q212 PolarHBondContact N-O 2.97Å; M172-Q212 VanDerWaalsContact N-O 3.1Å; Y199-Q212 PolarHBondContact OH-O 2.87Å; Y199-Q212 VanDerWaalsContact OH-O 3.04Å; Q212-L216 HydrophobicContact CB-CD1 3.94Å
213G98.4Very high98.8Very high5 Ų538.8 Ų38.85%0.05222%0.22CC..SBendtrans-167.1176.4178.200000110Y199 A211 G215 L216Y199-G213 WeakPolarHBondContact OH-CA 3.5Å; A211-G213 WeakPolarHBondContact CB-O 3.39Å; A211-G213 PolarHBondContact O-N 2.71Å; G213-G215 PolarHBondContact O-N 3.27Å; G213-L216 PolarHBondContact O-N 3.39Å
214A98.8Very high98.8Very high67 Ų6738.8 Ų38.855%0.55422%0.219SC*.THydrogen-bonded Turntrans-59.2134.2-17600000112.5R202 L216R202-A214 HydrophobicContact CB-CB 4.17Å; R202-A214 WeakPolarHBondContact O-CA 3.37Å; R202-A214 WeakPolarHBondContact O-CB 3.18Å; A214-L216 VanDerWaalsContact C-N 3.25Å; A214-L216 PolarHBondContact O-N 3.28Å
215G98.3Very high98.8Very high83 Ų8336.9 Ų36.986%0.85621%0.211SC*.THydrogen-bonded Turntrans79.2-5177.700000115.7G213G213-G215 PolarHBondContact O-N 3.27Å
216L98.8Very high98.8Very high98 Ų9835.9 Ų35.951%0.51320%0.204SC..SBendtrans-82.8165.9176.3-62.7179.7000112.1A211 Q212 G213 A214 S218A211-L216 HydrophobicContact CB-CB 3.87Å; A211-L216 WeakPolarHBondContact CB-O 3.35Å; Q212-L216 HydrophobicContact CB-CD1 3.94Å; G213-L216 PolarHBondContact O-N 3.39Å; A214-L216 VanDerWaalsContact C-N 3.25Å; A214-L216 PolarHBondContact O-N 3.28Å; L216-S218 PolarHBondContact O-N 2.94Å
217E98.9Very high98.8Very high106 Ų10625.7 Ų25.750%0.49516%0.164SC..PPolyproline II helixtrans-64.6131.8174.3-170.6-172.9-167.200110.5A211 R263A211-E217 VanDerWaalsContact CB-O 3.22Å; A211-E217 WeakPolarHBondContact CB-O 3.48Å; E217-R263 WeakPolarHBondContact OE1-CD 3.47Å; E217-R263 WeakPolarHBondContact OE2-CD 3.29Å; E217-R263 IonicContact OE2-CZ 3.45Å; E217-R263 IonicContact OE2-NE 2.68Å; E217-R263 IonicContact OE2-NH1 3.42Å; E217-R263 PolarHBondContact OE2-NH1 3.32Å
218S98.9Very high98.8Very high1 Ų123.8 Ų23.81%0.00715%0.154CC..BIsolated β-bridgetrans-65.4145.4176.762.10000111.2D207 G209 L216 W251 R263D207-S218 VanDerWaalsContact OD1-CB 3.28Å; D207-S218 WeakPolarHBondContact OD1-CB 3.46Å; D207-S218 PolarHBondContact OD1-OG 3.44Å; D207-S218 PolarHBondContact OD2-OG 3.34Å; G209-S218 WeakPolarHBondContact O-CB 3.42Å; L216-S218 PolarHBondContact O-N 2.94Å; S218-W251 WeakPolarHBondContact OG-CZ2 3.23Å; S218-W251 PolarHBondContact OG-NE1 3.01Å; S218-W251 VanDerWaalsContact OG-NE1 3.08Å; S218-R263 WeakPolarHBondContact O-CG 3.5Å
219H98.9Very high98.8Very high34 Ų3422 Ų2216%0.15714%0.144CC..  trans-147.4146.4-171.7-171.8-83.1000111.7L210 G221 S222 T223 W251 G262 R263 Y272L210-H219 PolarHBondContact O-N 3.43Å; H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact ND1-N 2.77Å; H219-G221 PolarHBondContact O-N 3.42Å; H219-S222 WeakPolarHBondContact CB-OG 3.48Å; H219-S222 PolarHBondContact O-N 3.2Å; H219-S222 PolarHBondContact O-OG 3.03Å; H219-S222 VanDerWaalsContact O-OG 3.08Å; H219-T223 VanDerWaalsContact O-CB 3.31Å; H219-T223 WeakPolarHBondContact O-CB 3.45Å; H219-T223 PolarHBondContact O-N 2.6Å; H219-T223 PolarHBondContact O-OG1 3.1Å; H219-W251 VanDerWaalsContact C-CH2 3.49Å; H219-G262 CarbonylContact C-O 3.46Å; H219-G262 WeakPolarHBondContact CA-O 3.39Å; H219-R263 HydrophobicContact CB-CG 4.19Å; H219-R263 VanDerWaalsContact CD2-CD 3.47Å; H219-R263 WeakPolarHBondContact CD2-CD 3.48Å; H219-R263 VanDerWaalsContact CD2-CG 3.43Å; H219-R263 WeakPolarHBondContact CD2-CG 3.25Å; H219-R263 PolarHBondContact CD2-NE 3.16Å; H219-R263 VanDerWaalsContact CD2-NE 3.29Å; H219-Y272 AromaticContact CE1-CE1 3.68Å; H219-Y272 AromaticContact CE1-CZ 3.69Å; H219-Y272 PolarHBondContact CE1-OH 2.97Å; H219-Y272 PolarHBondContact NE2-OH 2.89Å; H219-Y272 VanDerWaalsContact NE2-OH 3.09Å
220G98.9Very high98.8Very high0 Ų022 Ų220%014%0.144CC..Hα-helixtrans-62.8-39.8-174.600000112.1T223 F224 G262G220-T223 PolarHBondContact O-N 2.85Å; G220-F224 PolarHBondContact O-N 3.29Å; G220-G262 PolarHBondContact N-O 3.41Å
221G98.8Very high98.8Very high11 Ų1123.7 Ų23.711%0.11316%0.156CC..Hα-helixtrans-61.3-51.4173.800000113.5H219 T223 F224 C225H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact ND1-N 2.77Å; H219-G221 PolarHBondContact O-N 3.42Å; G221-T223 VanDerWaalsContact C-N 3.33Å; G221-T223 PolarHBondContact O-N 3.39Å; G221-F224 WeakPolarHBondContact O-CB 3.2Å; G221-F224 PolarHBondContact O-N 2.99Å; G221-C225 PolarHBondContact O-N 3.36Å; G221-C225 PolarHBondContact O-SG 2.84Å
222S98.9Very high98.8Very high0 Ų024.2 Ų24.20%016%0.159CC..Hα-helixtrans-69.6-31.5178.147.30000112.7M172 L210 A211 H219 C225 G226M172-S222 WeakPolarHBondContact CG-O 3.36Å; L210-S222 PolarHBondContact O-OG 3.45Å; A211-S222 VanDerWaalsContact C-CB 3.41Å; A211-S222 VanDerWaalsContact C-OG 3.26Å; A211-S222 WeakPolarHBondContact CA-OG 3.49Å; A211-S222 VanDerWaalsContact O-CB 3.28Å; A211-S222 WeakPolarHBondContact O-CB 3.39Å; H219-S222 WeakPolarHBondContact CB-OG 3.48Å; H219-S222 PolarHBondContact O-N 3.2Å; H219-S222 PolarHBondContact O-OG 3.03Å; H219-S222 VanDerWaalsContact O-OG 3.08Å; S222-C225 PolarHBondContact O-N 2.97Å; S222-G226 PolarHBondContact O-N 3.37Å
223T98.9Very high98.8Very high0 Ų022.7 Ų22.70%015%0.152CC..Hα-helixtrans-63-43.7171.8-56.30000112L210 H219 G220 G221 I227 I248 W251 T279L210-T223 PolarHBondContact N-OG1 3.07Å; L210-T223 PolarHBondContact O-OG1 3.34Å; L210-T223 VanDerWaalsContact O-OG1 3.09Å; H219-T223 VanDerWaalsContact O-CB 3.31Å; H219-T223 WeakPolarHBondContact O-CB 3.45Å; H219-T223 PolarHBondContact O-N 2.6Å; H219-T223 PolarHBondContact O-OG1 3.1Å; G220-T223 PolarHBondContact O-N 2.85Å; G221-T223 VanDerWaalsContact C-N 3.33Å; G221-T223 PolarHBondContact O-N 3.39Å; T223-I227 HydrophobicContact CG2-CG1 4.29Å; T223-I227 WeakPolarHBondContact O-CB 3.3Å; T223-I227 VanDerWaalsContact O-CG1 3.25Å; T223-I227 WeakPolarHBondContact O-CG1 3.36Å; T223-I227 PolarHBondContact O-N 3.48Å; T223-I248 HydrophobicContact CG2-CG2 4.33Å; T223-W251 HydrophobicContact CG2-CE3 4.44Å; T223-W251 HydrophobicContact CG2-CZ3 4.3Å; T223-T279 HydrophobicContact CG2-CG2 4.02Å
224F98.9Very high98.9Very high0 Ų025.5 Ų25.50%018%0.181CC..Hα-helixtrans-57.3-54.2168.8171.1-91.6000111.4Y176 G220 G221 G226 I227 A228 F274 W275 A278 T279 P342Y176-F224 HydrophobicContact CD1-CE1 4.3Å; Y176-F224 HydrophobicContact CD2-CE1 4.26Å; Y176-F224 AromaticContact CE1-CE1 3.82Å; Y176-F224 HydrophobicContact CE1-CE1 3.82Å; Y176-F224 AromaticContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CZ 4.14Å; Y176-F224 HydrophobicContact CG-CE1 4.5Å; Y176-F224 AromaticContact CZ-CE1 3.53Å; Y176-F224 AromaticContact CZ-CZ 3.86Å; G220-F224 PolarHBondContact O-N 3.29Å; G221-F224 WeakPolarHBondContact O-CB 3.2Å; G221-F224 PolarHBondContact O-N 2.99Å; F224-G226 VanDerWaalsContact C-N 3.31Å; F224-G226 PolarHBondContact O-N 2.73Å; F224-I227 PolarHBondContact O-N 2.69Å; F224-A228 HydrophobicContact CD1-CB 4.48Å; F224-A228 HydrophobicContact CD2-CB 4.45Å; F224-A228 HydrophobicContact CE1-CB 4.21Å; F224-A228 HydrophobicContact CE2-CB 4.18Å; F224-A228 HydrophobicContact CZ-CB 4.06Å; F224-A228 WeakPolarHBondContact O-CB 3.24Å; F224-A228 PolarHBondContact O-N 3.31Å; F224-F274 AromaticContact CE2-CE1 3.73Å; F224-F274 HydrophobicContact CE2-CE1 3.73Å; F224-F274 AromaticContact CE2-CZ 3.97Å; F224-F274 HydrophobicContact CE2-CZ 3.97Å; F224-F274 AromaticContact CZ-CE1 3.74Å; F224-F274 HydrophobicContact CZ-CE1 3.74Å; F224-F274 HydrophobicContact CZ-CZ 4.09Å; F224-W275 HydrophobicContact CB-CB 4.4Å; F224-W275 HydrophobicContact CB-CE3 3.92Å; F224-W275 WeakPolarHBondContact CB-O 3.41Å; F224-W275 AromaticContact CD1-CE3 3.28Å; F224-W275 HydrophobicContact CD1-CE3 3.28Å; F224-W275 AromaticContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD2-CE3 4.25Å; F224-W275 AromaticContact CE1-CE3 3.77Å; F224-W275 HydrophobicContact CE1-CE3 3.77Å; F224-W275 AromaticContact CE1-CZ3 3.44Å; F224-W275 HydrophobicContact CE1-CZ3 3.44Å; F224-W275 VanDerWaalsContact CE1-CZ3 3.44Å; F224-W275 AromaticContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CZ3 4.07Å; F224-W275 HydrophobicContact CZ-CE3 4.41Å; F224-W275 HydrophobicContact CZ-CZ3 4.29Å; F224-A278 HydrophobicContact CD2-CB 4.04Å; F224-A278 HydrophobicContact CE2-CB 3.8Å; F224-T279 VanDerWaalsContact CA-OG1 3.23Å; F224-T279 WeakPolarHBondContact CA-OG1 3.46Å; F224-T279 WeakPolarHBondContact CB-OG1 3.32Å; F224-P342 VanDerWaalsContact CE2-O 3.31Å; F224-P342 WeakPolarHBondContact CE2-O 3.37Å
225C98.9Very high98.9Very high6 Ų625 Ų254%0.04117%0.166CC..Hα-helixtrans-56.2-45.4-175.4-70.80000111.9M172 Y176 G221 S222 S229M172-C225 HydrophobicContact CB-CB 4.23Å; M172-C225 HydrophobicContact CG-CB 3.55Å; M172-C225 WeakPolarHBondContact O-CB 3.27Å; Y176-C225 HydrophobicContact CG-CB 4.36Å; G221-C225 PolarHBondContact O-N 3.36Å; G221-C225 PolarHBondContact O-SG 2.84Å; S222-C225 PolarHBondContact O-N 2.97Å; C225-S229 VanDerWaalsContact O-CB 3.23Å; C225-S229 WeakPolarHBondContact O-CB 3.39Å; C225-S229 PolarHBondContact O-N 3.03Å; C225-S229 PolarHBondContact O-OG 3.47Å
226G98.9Very high98.9Very high0 Ų021.8 Ų21.80%013%0.129CC..Hα-helixtrans-66.5-50.4178.200000113.1S222 F224 S229 L230S222-G226 PolarHBondContact O-N 3.37Å; F224-G226 VanDerWaalsContact C-N 3.31Å; F224-G226 PolarHBondContact O-N 2.73Å; G226-S229 PolarHBondContact O-N 3.15Å; G226-L230 WeakPolarHBondContact O-CG 3.47Å; G226-L230 PolarHBondContact O-N 2.93Å; G226-L230 VanDerWaalsContact O-N 3.11Å
227I98.9Very high98.9Very high0 Ų023.1 Ų23.10%013%0.133CC..Hα-helixtrans-66.2-44.9-178.5-62.4-60.7000111.4T223 F224 S229 L230 C231 L236 F240 I248 T279 L282 L283T223-I227 HydrophobicContact CG2-CG1 4.29Å; T223-I227 WeakPolarHBondContact O-CB 3.3Å; T223-I227 VanDerWaalsContact O-CG1 3.25Å; T223-I227 WeakPolarHBondContact O-CG1 3.36Å; T223-I227 PolarHBondContact O-N 3.48Å; F224-I227 PolarHBondContact O-N 2.69Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 3.19Å; I227-L230 PolarHBondContact O-N 3.32Å; I227-C231 PolarHBondContact O-N 3.34Å; I227-C231 PolarHBondContact O-SG 3.47Å; I227-L236 HydrophobicContact CD1-CD1 3.9Å; I227-L236 HydrophobicContact CG2-CD1 4.2Å; I227-F240 HydrophobicContact CD1-CD2 4.4Å; I227-F240 HydrophobicContact CD1-CE2 4.17Å; I227-I248 HydrophobicContact CD1-CD1 4.3Å; I227-I248 HydrophobicContact CD1-CG2 4.2Å; I227-I248 HydrophobicContact CG1-CG2 4.46Å; I227-T279 HydrophobicContact CB-CG2 4.06Å; I227-T279 HydrophobicContact CG1-CG2 3.95Å; I227-T279 HydrophobicContact CG2-CG2 4.17Å; I227-L282 HydrophobicContact CG2-CB 4.18Å; I227-L282 HydrophobicContact CG2-CD1 4.16Å; I227-L283 HydrophobicContact CG2-CD2 4.37Å; I227-L283 HydrophobicContact CG2-CG 4.43Å
228A98.9Very high98.8Very high0 Ų024.5 Ų24.50%014%0.139CC..Hα-helixtrans-62.8-40.2177.700000111.8Y176 F224 C231 L232 L282 A343Y176-A228 HydrophobicContact CD2-CB 3.97Å; Y176-A228 HydrophobicContact CE2-CB 3.63Å; F224-A228 HydrophobicContact CD1-CB 4.48Å; F224-A228 HydrophobicContact CD2-CB 4.45Å; F224-A228 HydrophobicContact CE1-CB 4.21Å; F224-A228 HydrophobicContact CE2-CB 4.18Å; F224-A228 HydrophobicContact CZ-CB 4.06Å; F224-A228 WeakPolarHBondContact O-CB 3.24Å; F224-A228 PolarHBondContact O-N 3.31Å; A228-C231 PolarHBondContact O-N 3.38Å; A228-L232 WeakPolarHBondContact O-CG 3.36Å; A228-L232 PolarHBondContact O-N 3.46Å; A228-L282 HydrophobicContact CB-CD1 3.98Å; A228-A343 HydrophobicContact CB-CB 4.34Å
229S98.9Very high98.8Very high0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-58.7-48.6174-61.90000111.6Y176 S179 C225 G226 I227 C231 L232 M233Y176-S229 WeakPolarHBondContact CA-OG 3.12Å; S179-S229 VanDerWaalsContact OG-CB 3.29Å; S179-S229 WeakPolarHBondContact OG-CB 3.5Å; S179-S229 PolarHBondContact OG-OG 3.23Å; C225-S229 VanDerWaalsContact O-CB 3.23Å; C225-S229 WeakPolarHBondContact O-CB 3.39Å; C225-S229 PolarHBondContact O-N 3.03Å; C225-S229 PolarHBondContact O-OG 3.47Å; G226-S229 PolarHBondContact O-N 3.15Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 3.19Å; S229-C231 VanDerWaalsContact C-N 3.3Å; S229-C231 PolarHBondContact O-N 2.61Å; S229-L232 PolarHBondContact O-N 3.41Å; S229-M233 VanDerWaalsContact O-CG 3.24Å; S229-M233 WeakPolarHBondContact O-CG 3.38Å; S229-M233 PolarHBondContact O-N 3.28Å
230L98.9Very high98.8Very high0 Ų023.6 Ų23.60%014%0.135CC..Hα-helixtrans-63.5-34.7177.3-67.4179.2000112.8I197 I200 G226 I227 M233 G234 K235 L236 V239 F240I197-L230 HydrophobicContact CG1-CD2 3.94Å; I200-L230 HydrophobicContact CD1-CD2 3.88Å; I200-L230 HydrophobicContact CD1-CG 4.06Å; I200-L230 HydrophobicContact CG2-CD1 3.85Å; I200-L230 HydrophobicContact CG2-CD2 4.44Å; I200-L230 HydrophobicContact CG2-CG 4.08Å; G226-L230 WeakPolarHBondContact O-CG 3.47Å; G226-L230 PolarHBondContact O-N 2.93Å; G226-L230 VanDerWaalsContact O-N 3.11Å; I227-L230 PolarHBondContact O-N 3.32Å; L230-M233 HydrophobicContact CD2-SD 4.39Å; L230-G234 PolarHBondContact O-N 3.29Å; L230-G234 VanDerWaalsContact O-N 3.12Å; L230-K235 PolarHBondContact O-N 3.09Å; L230-L236 HydrophobicContact CB-CB 4.28Å; L230-L236 HydrophobicContact CB-CD1 4.16Å; L230-L236 HydrophobicContact CD1-CD1 4.1Å; L230-L236 PolarHBondContact O-N 3.12Å; L230-V239 HydrophobicContact CD1-CB 4.08Å; L230-V239 HydrophobicContact CD1-CG1 3.77Å; L230-V239 HydrophobicContact CD2-CB 4.19Å; L230-V239 HydrophobicContact CD2-CG1 4.14Å; L230-V239 HydrophobicContact CD2-CG2 3.88Å; L230-F240 HydrophobicContact CD1-CD2 3.7Å; L230-F240 HydrophobicContact CD1-CE2 3.45Å; L230-F240 VanDerWaalsContact CD1-CE2 3.45Å
231C98.9Very high98.8Very high37 Ų3726.3 Ų26.325%0.2515%0.154CC..Hα-helixtrans-66.3-44.4173.4-71.20000112I227 A228 S229 M233 G234 L282 A343I227-C231 PolarHBondContact O-N 3.34Å; I227-C231 PolarHBondContact O-SG 3.47Å; A228-C231 PolarHBondContact O-N 3.38Å; S229-C231 VanDerWaalsContact C-N 3.3Å; S229-C231 PolarHBondContact O-N 2.61Å; C231-M233 VanDerWaalsContact C-N 3.29Å; C231-M233 PolarHBondContact O-N 3.04Å; C231-G234 PolarHBondContact O-N 3.16Å; C231-L282 HydrophobicContact CB-CD1 4.48Å; C231-L282 HydrophobicContact CB-CD2 4.13Å; C231-A343 HydrophobicContact CB-CB 4.14Å
232L98.9Very high98.8Very high11 Ų1132.8 Ų32.86%0.05818%0.182CC..Hα-helixtrans-62.5-37.9176.3-69.3170.2000111.5Y176 Y183 W188 A228 S229 G234 A343 L344Y176-L232 HydrophobicContact CE2-CD1 4.21Å; Y183-L232 HydrophobicContact CD1-CD2 4Å; Y183-L232 HydrophobicContact CD2-CB 4.01Å; Y183-L232 HydrophobicContact CD2-CD2 3.68Å; Y183-L232 HydrophobicContact CD2-CG 4.44Å; Y183-L232 WeakPolarHBondContact CD2-O 3.33Å; Y183-L232 HydrophobicContact CE1-CD2 4.25Å; Y183-L232 HydrophobicContact CE2-CD2 3.94Å; Y183-L232 HydrophobicContact CG-CB 4.43Å; Y183-L232 HydrophobicContact CG-CD2 3.71Å; W188-L232 HydrophobicContact CH2-CB 4.22Å; W188-L232 WeakPolarHBondContact CZ2-O 3.39Å; A228-L232 WeakPolarHBondContact O-CG 3.36Å; A228-L232 PolarHBondContact O-N 3.46Å; S229-L232 PolarHBondContact O-N 3.41Å; L232-G234 PolarHBondContact O-N 2.79Å; L232-A343 HydrophobicContact CD2-CB 4.09Å; L232-A343 HydrophobicContact CG-CB 4.12Å; L232-L344 HydrophobicContact CD2-CB 4.27Å; L232-L344 HydrophobicContact CD2-CD1 4.05Å
233M98.8Very high98.8Very high18 Ų1839.4 Ų39.49%0.08921%0.211CC..THydrogen-bonded Turntrans-70.7-15.7173.9-65.7170.3-172.500113.5S179 W188 M191 M193 A196 I197 S229 L230 C231 K235S179-M233 WeakPolarHBondContact OG-CE 3.45Å; W188-M233 HydrophobicContact CE3-CG 4.27Å; W188-M233 HydrophobicContact CH2-CB 4.15Å; W188-M233 HydrophobicContact CH2-CG 3.38Å; W188-M233 HydrophobicContact CZ2-CG 4.19Å; W188-M233 HydrophobicContact CZ3-CE 3.98Å; W188-M233 HydrophobicContact CZ3-CG 3.43Å; W188-M233 VanDerWaalsContact CZ3-CG 3.43Å; M191-M233 HydrophobicContact CE-CE 4.43Å; M191-M233 HydrophobicContact SD-CE 3.77Å; M193-M233 HydrophobicContact CE-CB 4.31Å; M193-M233 HydrophobicContact CE-CG 4.03Å; M193-M233 HydrophobicContact CG-CE 4.46Å; M193-M233 HydrophobicContact CG-CG 4.35Å; M193-M233 HydrophobicContact CG-SD 3.85Å; M193-M233 HydrophobicContact SD-CB 4.25Å; M193-M233 HydrophobicContact SD-CG 4.23Å; M193-M233 HydrophobicContact SD-SD 4.4Å; A196-M233 HydrophobicContact CB-CE 4.29Å; I197-M233 HydrophobicContact CD1-SD 4.39Å; I197-M233 HydrophobicContact CG1-SD 4.01Å; S229-M233 VanDerWaalsContact O-CG 3.24Å; S229-M233 WeakPolarHBondContact O-CG 3.38Å; S229-M233 PolarHBondContact O-N 3.28Å; L230-M233 HydrophobicContact CD2-SD 4.39Å; C231-M233 VanDerWaalsContact C-N 3.29Å; C231-M233 PolarHBondContact O-N 3.04Å; M233-K235 VanDerWaalsContact C-N 3.35Å; M233-K235 HydrophobicContact CB-CB 4.09Å; M233-K235 HydrophobicContact CB-CG 3.88Å
234G98.7Very high98.8Very high64 Ų6440.8 Ų40.866%0.6622%0.217SC*.THydrogen-bonded Turntrans70.128.6-172.100000113.7L230 C231 L232L230-G234 PolarHBondContact O-N 3.29Å; L230-G234 VanDerWaalsContact O-N 3.12Å; C231-G234 PolarHBondContact O-N 3.16Å; L232-G234 PolarHBondContact O-N 2.79Å
235K98.9Very high98.8Very high57 Ų5741 Ų4125%0.24822%0.218CC..  trans-120.93.4-167.9-67.8-69.7-176.7170.10115M193 I197 L230 M233 E237 E238 V239M193-K235 HydrophobicContact SD-CG 4.46Å; I197-K235 HydrophobicContact CD1-CB 4.27Å; I197-K235 HydrophobicContact CD1-CG 4.18Å; L230-K235 PolarHBondContact O-N 3.09Å; M233-K235 VanDerWaalsContact C-N 3.35Å; M233-K235 HydrophobicContact CB-CB 4.09Å; M233-K235 HydrophobicContact CB-CG 3.88Å; K235-E237 PolarHBondContact O-N 3.12Å; K235-E238 HydrophobicContact CD-CB 4.35Å; K235-E238 VanDerWaalsContact CD-CD 3.48Å; K235-E238 HydrophobicContact CD-CG 4.46Å; K235-E238 WeakPolarHBondContact CD-OE1 3.39Å; K235-E238 VanDerWaalsContact CD-OE2 3.24Å; K235-E238 WeakPolarHBondContact CD-OE2 3.35Å; K235-E238 IonicContact NZ-OE1 2.64Å; K235-E238 PolarHBondContact NZ-OE1 3.47Å; K235-E238 IonicContact NZ-OE2 3.78Å; K235-E238 PolarHBondContact NZ-OE2 2.89Å; K235-E238 PolarHBondContact O-N 3.11Å; K235-V239 HydrophobicContact CB-CG2 4.09Å; K235-V239 WeakPolarHBondContact O-CB 3.42Å; K235-V239 VanDerWaalsContact O-CG2 3.24Å; K235-V239 WeakPolarHBondContact O-CG2 3.46Å; K235-V239 PolarHBondContact O-N 3.28Å
236L98.8Very high98.8Very high15 Ų1544.2 Ų44.28%0.07924%0.235CC..Hα-helixtrans-53.4-53-174.9-177.767000113.4I227 L230 E238 V239 F240 L245 L283I227-L236 HydrophobicContact CD1-CD1 3.9Å; I227-L236 HydrophobicContact CG2-CD1 4.2Å; L230-L236 HydrophobicContact CB-CB 4.28Å; L230-L236 HydrophobicContact CB-CD1 4.16Å; L230-L236 HydrophobicContact CD1-CD1 4.1Å; L230-L236 PolarHBondContact O-N 3.12Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-V239 PolarHBondContact O-N 3.43Å; L236-F240 HydrophobicContact CD1-CD2 4.27Å; L236-F240 PolarHBondContact O-N 2.86Å; L236-L245 HydrophobicContact CD1-CD2 3.89Å; L236-L245 HydrophobicContact CD2-CD2 4.4Å; L236-L245 HydrophobicContact CG-CD2 4.05Å; L236-L283 HydrophobicContact CD2-CD2 4.2Å
237E98.2Very high98.8Very high126 Ų12649.3 Ų49.359%0.58925%0.254SS*.Hα-helixtrans-74.3-23.3-176.9-53-70.9-17900112.6K235 L245K235-E237 PolarHBondContact O-N 3.12Å; E237-L245 WeakPolarHBondContact OE2-CD1 3.35Å
238E98.3Very high98.8Very high135 Ų13549.3 Ų49.363%0.63125%0.254SS*.Hα-helixtrans-74.7-36.9173179.8179.8130.100110.9K235 L236K235-E238 HydrophobicContact CD-CB 4.35Å; K235-E238 VanDerWaalsContact CD-CD 3.48Å; K235-E238 HydrophobicContact CD-CG 4.46Å; K235-E238 WeakPolarHBondContact CD-OE1 3.39Å; K235-E238 VanDerWaalsContact CD-OE2 3.24Å; K235-E238 WeakPolarHBondContact CD-OE2 3.35Å; K235-E238 IonicContact NZ-OE1 2.64Å; K235-E238 PolarHBondContact NZ-OE1 3.47Å; K235-E238 IonicContact NZ-OE2 3.78Å; K235-E238 PolarHBondContact NZ-OE2 2.89Å; K235-E238 PolarHBondContact O-N 3.11Å; L236-E238 VanDerWaalsContact C-N 3.33Å
239V98.6Very high98.8Very high14 Ų1451.8 Ų51.89%0.08527%0.265CS..Hα-helixtrans-83.8-47.8-173.1170.80000111.5I197 R201 L230 K235 L236I197-V239 HydrophobicContact CD1-CG2 4.15Å; I197-V239 HydrophobicContact CG1-CG2 4.27Å; I197-V239 HydrophobicContact CG2-CB 4.42Å; I197-V239 HydrophobicContact CG2-CG1 4.02Å; I197-V239 HydrophobicContact CG2-CG2 3.45Å; I197-V239 VanDerWaalsContact CG2-CG2 3.45Å; R201-V239 HydrophobicContact CG-CG1 3.48Å; R201-V239 VanDerWaalsContact CG-CG1 3.48Å; R201-V239 PolarHBondContact NH1-O 3.42Å; L230-V239 HydrophobicContact CD1-CB 4.08Å; L230-V239 HydrophobicContact CD1-CG1 3.77Å; L230-V239 HydrophobicContact CD2-CB 4.19Å; L230-V239 HydrophobicContact CD2-CG1 4.14Å; L230-V239 HydrophobicContact CD2-CG2 3.88Å; K235-V239 HydrophobicContact CB-CG2 4.09Å; K235-V239 WeakPolarHBondContact O-CB 3.42Å; K235-V239 VanDerWaalsContact O-CG2 3.24Å; K235-V239 WeakPolarHBondContact O-CG2 3.46Å; K235-V239 PolarHBondContact O-N 3.28Å; L236-V239 PolarHBondContact O-N 3.43Å
240F98.8Very high98.8Very high1 Ų159.9 Ų59.90%0.00430%0.296CS..SBendtrans-109.3126.3-179.4-70.6-63000110.8I200 R201 M204 L210 I227 L230 L236 E244 L245 I248I200-F240 HydrophobicContact CG2-CE2 4.4Å; I200-F240 HydrophobicContact CG2-CZ 4.46Å; R201-F240 HydrophobicContact CG-CE1 4.38Å; M204-F240 HydrophobicContact CE-CE1 4.4Å; M204-F240 HydrophobicContact SD-CD1 4.44Å; M204-F240 HydrophobicContact SD-CE1 3.92Å; L210-F240 HydrophobicContact CD1-CZ 4.35Å; L210-F240 HydrophobicContact CD2-CZ 4.47Å; I227-F240 HydrophobicContact CD1-CD2 4.4Å; I227-F240 HydrophobicContact CD1-CE2 4.17Å; L230-F240 HydrophobicContact CD1-CD2 3.7Å; L230-F240 HydrophobicContact CD1-CE2 3.45Å; L230-F240 VanDerWaalsContact CD1-CE2 3.45Å; L236-F240 HydrophobicContact CD1-CD2 4.27Å; L236-F240 PolarHBondContact O-N 2.86Å; F240-E244 HydrophobicContact CB-CB 4.13Å; F240-E244 HydrophobicContact CD1-CB 3.99Å; F240-E244 HydrophobicContact CG-CB 4.47Å; F240-L245 HydrophobicContact CB-CD2 3.73Å; F240-L245 HydrophobicContact CB-CG 3.77Å; F240-L245 HydrophobicContact CD2-CD2 4.42Å; F240-L245 HydrophobicContact CG-CD2 4.44Å; F240-I248 HydrophobicContact CD1-CD1 4.11Å; F240-I248 HydrophobicContact CD2-CD1 3.97Å; F240-I248 HydrophobicContact CE1-CD1 4.19Å; F240-I248 HydrophobicContact CE2-CD1 4.04Å; F240-I248 HydrophobicContact CG-CD1 4Å; F240-I248 HydrophobicContact CZ-CD1 4.16Å
241S98.8Very high98.8Very high57 Ų5760.6 Ų60.640%0.39930%0.298SS..  trans-59.9158.5171.161.90000111.4K243 E244 L245S241-K243 PolarHBondContact O-N 2.86Å; S241-K243 VanDerWaalsContact O-N 3.14Å; S241-E244 WeakPolarHBondContact CB-OE2 3.45Å; S241-E244 PolarHBondContact N-OE2 3.1Å; S241-E244 WeakPolarHBondContact O-CB 3.33Å; S241-E244 PolarHBondContact O-N 2.97Å; S241-E244 VanDerWaalsContact OG-CG 3.31Å; S241-E244 WeakPolarHBondContact OG-CG 3.39Å; S241-E244 PolarHBondContact OG-N 3.31Å; S241-E244 PolarHBondContact OG-OE2 3.39Å; S241-L245 PolarHBondContact O-N 3.24Å
242E98.6Very high98.8Very high147 Ų14758.9 Ų58.969%0.68729%0.287SS*.Hα-helixtrans-52.7-39.8176-171.7-17216600112.3L245 N246E242-L245 PolarHBondContact O-N 2.65Å; E242-N246 WeakPolarHBondContact O-CB 3.36Å; E242-N246 PolarHBondContact O-N 3.07Å; E242-N246 PolarHBondContact O-ND2 3.46Å
243K98.8Very high98.8Very high139 Ų13960.9 Ų60.960%0.60430%0.297SS*.Hα-helixtrans-63.7-42.2176.9-172.3178.6-176.9178.20112.2S241 R247S241-K243 PolarHBondContact O-N 2.86Å; S241-K243 VanDerWaalsContact O-N 3.14Å; K243-R247 WeakPolarHBondContact O-CD 3.44Å; K243-R247 VanDerWaalsContact O-CG 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.4Å; K243-R247 PolarHBondContact O-N 3.44Å
244E98.9Very high98.8Very high30 Ų3065.2 Ų65.214%0.1432%0.318CS..Hα-helixtrans-66.9-45.7175.3-71.4164.6132.100110.8R201 M204 F240 S241 N246 R247 I248R201-E244 IonicContact CZ-OE1 3.43Å; R201-E244 IonicContact NH1-OE1 3.62Å; R201-E244 PolarHBondContact NH1-OE1 3.14Å; R201-E244 IonicContact NH1-OE2 3.35Å; R201-E244 IonicContact NH2-OE1 2.81Å; R201-E244 PolarHBondContact NH2-OE1 3.04Å; M204-E244 HydrophobicContact CE-CG 4.23Å; F240-E244 HydrophobicContact CB-CB 4.13Å; F240-E244 HydrophobicContact CD1-CB 3.99Å; F240-E244 HydrophobicContact CG-CB 4.47Å; S241-E244 WeakPolarHBondContact CB-OE2 3.45Å; S241-E244 PolarHBondContact N-OE2 3.1Å; S241-E244 WeakPolarHBondContact O-CB 3.33Å; S241-E244 PolarHBondContact O-N 2.97Å; S241-E244 VanDerWaalsContact OG-CG 3.31Å; S241-E244 WeakPolarHBondContact OG-CG 3.39Å; S241-E244 PolarHBondContact OG-N 3.31Å; S241-E244 PolarHBondContact OG-OE2 3.39Å; E244-N246 VanDerWaalsContact C-N 3.3Å; E244-N246 PolarHBondContact O-N 3.28Å; E244-R247 WeakPolarHBondContact O-CA 3.48Å; E244-R247 WeakPolarHBondContact O-CB 3.32Å; E244-R247 PolarHBondContact O-N 2.75Å; E244-I248 WeakPolarHBondContact O-CG1 3.45Å; E244-I248 PolarHBondContact O-N 3.01Å
245L98.9Very high98.8Very high4 Ų463 Ų632%0.02129%0.29CS..Hα-helixtrans-58.8-40.2176-70.6174.3000112L236 E237 F240 S241 E242 R247 I248 K249 L283L236-L245 HydrophobicContact CD1-CD2 3.89Å; L236-L245 HydrophobicContact CD2-CD2 4.4Å; L236-L245 HydrophobicContact CG-CD2 4.05Å; E237-L245 WeakPolarHBondContact OE2-CD1 3.35Å; F240-L245 HydrophobicContact CB-CD2 3.73Å; F240-L245 HydrophobicContact CB-CG 3.77Å; F240-L245 HydrophobicContact CD2-CD2 4.42Å; F240-L245 HydrophobicContact CG-CD2 4.44Å; S241-L245 PolarHBondContact O-N 3.24Å; E242-L245 PolarHBondContact O-N 2.65Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R247 PolarHBondContact O-N 3.25Å; L245-I248 PolarHBondContact O-N 2.68Å; L245-K249 VanDerWaalsContact O-CB 3.26Å; L245-K249 WeakPolarHBondContact O-CB 3.32Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 2.73Å; L245-L283 HydrophobicContact CD2-CD2 3.92Å
246N98.9Very high98.8Very high73 Ų7362 Ų6239%0.3929%0.286SS..Hα-helixtrans-65.2-33176-72.4-22.2000112.7E242 E244 K249 R250E242-N246 WeakPolarHBondContact O-CB 3.36Å; E242-N246 PolarHBondContact O-N 3.07Å; E242-N246 PolarHBondContact O-ND2 3.46Å; E244-N246 VanDerWaalsContact C-N 3.3Å; E244-N246 PolarHBondContact O-N 3.28Å; N246-K249 PolarHBondContact OD1-NZ 2.84Å; N246-R250 PolarHBondContact O-N 2.96Å
247R98.9Very high98.8Very high108 Ų10866.7 Ų66.741%0.40831%0.307SS..Hα-helixtrans-71.6-43.1173.8-69163.9168.9-169.5-4.6112N208 K243 E244 L245 R250 W251N208-R247 HydrophobicContact CB-CB 3.61Å; N208-R247 WeakPolarHBondContact OD1-CD 3.47Å; K243-R247 WeakPolarHBondContact O-CD 3.44Å; K243-R247 VanDerWaalsContact O-CG 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.4Å; K243-R247 PolarHBondContact O-N 3.44Å; E244-R247 WeakPolarHBondContact O-CA 3.48Å; E244-R247 WeakPolarHBondContact O-CB 3.32Å; E244-R247 PolarHBondContact O-N 2.75Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R247 PolarHBondContact O-N 3.25Å; R247-R250 WeakPolarHBondContact O-CB 3.13Å; R247-R250 PolarHBondContact O-N 3.22Å; R247-W251 PolarHBondContact O-N 2.78Å
248I98.9Very high98.6Very high0 Ų064.2 Ų64.20%030%0.298CS..Hα-helixtrans-62.4-45.6175.2-63.9163.2000110.2M204 N208 L210 T223 I227 F240 E244 L245 R250 W251 C252 L283M204-I248 HydrophobicContact SD-CD1 4.21Å; M204-I248 HydrophobicContact SD-CG1 4.25Å; N208-I248 WeakPolarHBondContact O-CG1 3.46Å; L210-I248 HydrophobicContact CD1-CD1 4.12Å; L210-I248 HydrophobicContact CD1-CG1 4.26Å; T223-I248 HydrophobicContact CG2-CG2 4.33Å; I227-I248 HydrophobicContact CD1-CD1 4.3Å; I227-I248 HydrophobicContact CD1-CG2 4.2Å; I227-I248 HydrophobicContact CG1-CG2 4.46Å; F240-I248 HydrophobicContact CD1-CD1 4.11Å; F240-I248 HydrophobicContact CD2-CD1 3.97Å; F240-I248 HydrophobicContact CE1-CD1 4.19Å; F240-I248 HydrophobicContact CE2-CD1 4.04Å; F240-I248 HydrophobicContact CG-CD1 4Å; F240-I248 HydrophobicContact CZ-CD1 4.16Å; E244-I248 WeakPolarHBondContact O-CG1 3.45Å; E244-I248 PolarHBondContact O-N 3.01Å; L245-I248 PolarHBondContact O-N 2.68Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.23Å; I248-W251 PolarHBondContact O-N 3.37Å; I248-W251 VanDerWaalsContact O-N 3.15Å; I248-C252 PolarHBondContact O-N 3.39Å; I248-C252 PolarHBondContact O-SG 3.44Å; I248-L283 HydrophobicContact CG2-CD1 3.95Å
249K98.9Very high98.6Very high51 Ų5157.8 Ų57.822%0.22227%0.268CS..Hα-helixtrans-52.9-48.4173.1-80.3173.6-165.9168.80111.5L245 N246 C252 I253 L283 I285L245-K249 VanDerWaalsContact O-CB 3.26Å; L245-K249 WeakPolarHBondContact O-CB 3.32Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 2.73Å; N246-K249 PolarHBondContact OD1-NZ 2.84Å; K249-C252 PolarHBondContact O-N 2.74Å; K249-I253 WeakPolarHBondContact O-CG2 3.34Å; K249-I253 PolarHBondContact O-N 2.95Å; K249-L283 WeakPolarHBondContact CE-O 3.48Å; K249-L283 HydrophobicContact CG-CB 3.91Å; K249-L283 HydrophobicContact CG-CD1 4Å; K249-L283 HydrophobicContact CG-CG 4.38Å; K249-I285 HydrophobicContact CB-CD1 3.5Å; K249-I285 HydrophobicContact CD-CD1 4.2Å; K249-I285 HydrophobicContact CD-CG1 4.48Å; K249-I285 HydrophobicContact CD-CG2 4.01Å; K249-I285 HydrophobicContact CG-CD1 3.58Å; K249-I285 HydrophobicContact CG-CG1 4.06Å; K249-I285 HydrophobicContact CG-CG2 4.5Å
250R98.9Very high98.6Very high171 Ų17157.1 Ų57.165%0.64526%0.264SS*.Hα-helixtrans-59.3-47.8176.4178.463.866.483.52.8111.3N246 R247 I248 C252 I253 M254N246-R250 PolarHBondContact O-N 2.96Å; R247-R250 WeakPolarHBondContact O-CB 3.13Å; R247-R250 PolarHBondContact O-N 3.22Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.23Å; R250-C252 VanDerWaalsContact C-N 3.33Å; R250-C252 PolarHBondContact O-N 3.03Å; R250-I253 WeakPolarHBondContact O-CG2 3.42Å; R250-M254 HydrophobicContact CG-CG 4.5Å; R250-M254 WeakPolarHBondContact O-CB 3.06Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 3.02Å
251W98.9Very high98.6Very high15 Ų1557.4 Ų57.46%0.05727%0.266CS..Hα-helixtrans-59.9-45.2179.7-17594.6000111.9D207 G209 S218 H219 T223 R247 I248 R255D207-W251 VanDerWaalsContact CG-NE1 3.3Å; D207-W251 VanDerWaalsContact O-CD1 3.22Å; D207-W251 PolarHBondContact OD1-NE1 3.41Å; D207-W251 PolarHBondContact OD2-NE1 2.98Å; G209-W251 VanDerWaalsContact CA-CD2 3.47Å; S218-W251 WeakPolarHBondContact OG-CZ2 3.23Å; S218-W251 PolarHBondContact OG-NE1 3.01Å; S218-W251 VanDerWaalsContact OG-NE1 3.08Å; H219-W251 VanDerWaalsContact C-CH2 3.49Å; T223-W251 HydrophobicContact CG2-CE3 4.44Å; T223-W251 HydrophobicContact CG2-CZ3 4.3Å; R247-W251 PolarHBondContact O-N 2.78Å; I248-W251 PolarHBondContact O-N 3.37Å; I248-W251 VanDerWaalsContact O-N 3.15Å; W251-R255 HydrophobicContact CE3-CG 4.29Å; W251-R255 HydrophobicContact CH2-CG 4.32Å; W251-R255 HydrophobicContact CZ3-CG 3.98Å; W251-R255 PolarHBondContact O-NE 3.49Å; W251-R255 VanDerWaalsContact O-NE 3.1Å
252C98.9Very high98.6Very high1 Ų154.8 Ų54.81%0.00725%0.248CC..Hα-helixtrans-65.9-46.5-179.1-64.90000112.4I248 K249 R250 M254 R255 V276 L280I248-C252 PolarHBondContact O-N 3.39Å; I248-C252 PolarHBondContact O-SG 3.44Å; K249-C252 PolarHBondContact O-N 2.74Å; R250-C252 VanDerWaalsContact C-N 3.33Å; R250-C252 PolarHBondContact O-N 3.03Å; C252-M254 VanDerWaalsContact C-N 3.25Å; C252-M254 PolarHBondContact O-N 3.12Å; C252-R255 WeakPolarHBondContact O-CB 3.27Å; C252-R255 WeakPolarHBondContact O-CG 3.37Å; C252-R255 PolarHBondContact O-N 3.49Å; C252-V276 HydrophobicContact CB-CG1 4.24Å; C252-V276 WeakPolarHBondContact O-CG1 3.37Å; C252-L280 HydrophobicContact CB-CD2 3.53Å; C252-L280 HydrophobicContact CB-CG 4Å
253I98.9Very high98.6Very high52 Ų5251.6 Ų51.627%0.26723%0.23SC..Hα-helixtrans-68.6-30.1-176.7-160.5166.1000111.5K249 R250 R255 Q256 L280 I285 T289K249-I253 WeakPolarHBondContact O-CG2 3.34Å; K249-I253 PolarHBondContact O-N 2.95Å; R250-I253 WeakPolarHBondContact O-CG2 3.42Å; I253-R255 PolarHBondContact O-N 3.42Å; I253-R255 VanDerWaalsContact O-N 3.11Å; I253-Q256 PolarHBondContact O-N 3.13Å; I253-L280 HydrophobicContact CB-CD2 4.08Å; I253-I285 HydrophobicContact CB-CD1 4.48Å; I253-T289 HydrophobicContact CD1-CG2 4.42Å; I253-T289 HydrophobicContact CG1-CG2 4.27Å
254M98.9Very high98.6Very high110 Ų11047.1 Ų47.154%0.54222%0.215SC..THydrogen-bonded Turntrans-67.7-6.7174.3-70.5-63.4-61.100113.6R250 C252 Q256R250-M254 HydrophobicContact CG-CG 4.5Å; R250-M254 WeakPolarHBondContact O-CB 3.06Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 3.02Å; C252-M254 VanDerWaalsContact C-N 3.25Å; C252-M254 PolarHBondContact O-N 3.12Å; M254-Q256 VanDerWaalsContact C-N 3.29Å
255R98.9Very high98.6Very high17 Ų1753.5 Ų53.56%0.06425%0.25CS..THydrogen-bonded Turntrans-77.9-15.2175.6-55.3-56.979.8-127.9-11.9112.9W251 C252 I253 Y260 H261 R263 V276W251-R255 HydrophobicContact CE3-CG 4.29Å; W251-R255 HydrophobicContact CH2-CG 4.32Å; W251-R255 HydrophobicContact CZ3-CG 3.98Å; W251-R255 PolarHBondContact O-NE 3.49Å; W251-R255 VanDerWaalsContact O-NE 3.1Å; C252-R255 WeakPolarHBondContact O-CB 3.27Å; C252-R255 WeakPolarHBondContact O-CG 3.37Å; C252-R255 PolarHBondContact O-N 3.49Å; I253-R255 PolarHBondContact O-N 3.42Å; I253-R255 VanDerWaalsContact O-N 3.11Å; R255-Y260 HydrophobicContact CB-CD1 4.04Å; R255-Y260 WeakPolarHBondContact O-CA 3.41Å; R255-H261 VanDerWaalsContact CA-CD2 3.49Å; R255-H261 WeakPolarHBondContact CA-CD2 3.13Å; R255-H261 VanDerWaalsContact CZ-NE2 3.32Å; R255-H261 PolarHBondContact NH1-CD2 3.33Å; R255-H261 PolarHBondContact NH1-CE1 3.29Å; R255-H261 PolarHBondContact NH1-NE2 3.4Å; R255-H261 PolarHBondContact O-CD2 3.08Å; R255-H261 PolarHBondContact O-N 3.31Å; R255-H261 VanDerWaalsContact O-N 3.16Å; R255-H261 PolarHBondContact O-NE2 3.04Å; R255-R263 PolarHBondContact NH1-O 3.47Å; R255-V276 HydrophobicContact CB-CG1 3.93Å; R255-V276 HydrophobicContact CB-CG2 4.22Å; R255-V276 HydrophobicContact CG-CG1 3.98Å; R255-V276 HydrophobicContact CG-CG2 4.12Å
256Q98.9Very high98.6Very high35 Ų3558.6 Ų58.616%0.16427%0.272CS..BIsolated β-bridgetrans-75.8128.3177.7-164.6174.918.700110.5I253 M254 Y260 N290I253-Q256 PolarHBondContact O-N 3.13Å; M254-Q256 VanDerWaalsContact C-N 3.29Å; Q256-Y260 HydrophobicContact CB-CD1 4.03Å; Q256-Y260 HydrophobicContact CB-CE1 3.57Å; Q256-Y260 HydrophobicContact CG-CE1 4.04Å; Q256-Y260 HydrophobicContact CG-CE2 4.19Å; Q256-N290 PolarHBondContact NE2-O 2.61Å
257Q98.6Very high98.6Very high114 Ų11458.7 Ų58.753%0.53328%0.277SS..SBendtrans-114.8-71.9168.5-55.2-58.7-48.100108.6G259 H261 V268Q257-G259 PolarHBondContact N-O 3.23Å; Q257-H261 PolarHBondContact NE2-NE2 3.14Å; Q257-V268 HydrophobicContact CB-CG1 3.85Å; Q257-V268 HydrophobicContact CG-CG1 4.05Å
258N94.9Very high98.6Very high74 Ų7454.5 Ų54.540%0.39626%0.263SS..SBendtrans-122.6-57.6164.546.815.6000108.8V268 K293 N294N258-V268 WeakPolarHBondContact OD1-CG2 3.35Å; N258-K293 CarbonylContact C-O 3.58Å; N258-K293 CarbonylContact O-C 3.59Å; N258-K293 VanDerWaalsContact O-O 3.08Å; N258-N294 WeakPolarHBondContact O-CA 3.35Å; N258-N294 PolarHBondContact O-N 3.25Å; N258-N294 VanDerWaalsContact O-N 3.11Å
259G98.4Very high98.6Very high0 Ų055.4 Ų55.40%027%0.268CS..SBendtrans-88.5-153.4150.600000111.3Q257Q257-G259 PolarHBondContact N-O 3.23Å
260Y98.9Very high98.6Very high0 Ų053 Ų530%026%0.257CS..BIsolated β-bridgetrans-115.3145.5179.8-68.6-97.1000111.8R255 Q256 V268 D269 V276 L280 T289 N294R255-Y260 HydrophobicContact CB-CD1 4.04Å; R255-Y260 WeakPolarHBondContact O-CA 3.41Å; Q256-Y260 HydrophobicContact CB-CD1 4.03Å; Q256-Y260 HydrophobicContact CB-CE1 3.57Å; Q256-Y260 HydrophobicContact CG-CE1 4.04Å; Q256-Y260 HydrophobicContact CG-CE2 4.19Å; Y260-V268 CarbonylContact O-C 3.5Å; Y260-V268 VanDerWaalsContact O-CA 3.28Å; Y260-V268 WeakPolarHBondContact O-CA 3.46Å; Y260-V268 WeakPolarHBondContact O-CB 3.43Å; Y260-D269 PolarHBondContact O-N 2.81Å; Y260-V276 HydrophobicContact CD1-CB 3.88Å; Y260-V276 HydrophobicContact CD1-CG1 3.74Å; Y260-V276 HydrophobicContact CE1-CG1 4.07Å; Y260-V276 HydrophobicContact CG-CB 4.34Å; Y260-L280 HydrophobicContact CE1-CD1 3.84Å; Y260-T289 VanDerWaalsContact OH-CB 3.3Å; Y260-T289 WeakPolarHBondContact OH-CB 3.38Å; Y260-T289 VanDerWaalsContact OH-CG2 3.25Å; Y260-T289 WeakPolarHBondContact OH-CG2 3.12Å; Y260-N294 WeakPolarHBondContact CD2-OD1 3.33Å; Y260-N294 HydrophobicContact CE2-CB 4.24Å; Y260-N294 WeakPolarHBondContact CE2-OD1 3.47Å
261H98.9Very high98.6Very high7 Ų745.2 Ų45.23%0.03223%0.229CC..  trans-110155167.462.7-174.5000112.1R255 Q257 R263 K266 P267 V268R255-H261 VanDerWaalsContact CA-CD2 3.49Å; R255-H261 WeakPolarHBondContact CA-CD2 3.13Å; R255-H261 VanDerWaalsContact CZ-NE2 3.32Å; R255-H261 PolarHBondContact NH1-CD2 3.33Å; R255-H261 PolarHBondContact NH1-CE1 3.29Å; R255-H261 PolarHBondContact NH1-NE2 3.4Å; R255-H261 PolarHBondContact O-CD2 3.08Å; R255-H261 PolarHBondContact O-N 3.31Å; R255-H261 VanDerWaalsContact O-N 3.16Å; R255-H261 PolarHBondContact O-NE2 3.04Å; Q257-H261 PolarHBondContact NE2-NE2 3.14Å; H261-R263 VanDerWaalsContact C-N 3.34Å; H261-R263 PolarHBondContact CE1-O 2.77Å; H261-R263 VanDerWaalsContact CG-O 3.28Å; H261-R263 PolarHBondContact ND1-O 2.95Å; H261-R263 VanDerWaalsContact ND1-O 3.11Å; H261-R263 PolarHBondContact O-N 2.65Å; H261-K266 WeakPolarHBondContact CB-O 3.31Å; H261-K266 PolarHBondContact ND1-O 2.67Å; H261-P267 VanDerWaalsContact CB-O 3.25Å; H261-P267 WeakPolarHBondContact CB-O 3.45Å; H261-V268 HydrophobicContact CB-CG1 4.37Å
262G98.5Very high98.6Very high3 Ų346.1 Ų46.13%0.03123%0.233CC..SBendtrans-72.6-25.2-179.500000114.5H219 G220 Y272H219-G262 CarbonylContact C-O 3.46Å; H219-G262 WeakPolarHBondContact CA-O 3.39Å; G220-G262 PolarHBondContact N-O 3.41Å; G262-Y272 VanDerWaalsContact N-CE2 3.28Å
263R98.6Very high98.6Very high79 Ų7946 Ų4630%0.29823%0.232SC..SBendtrans-152155.3-171.9-70.6-178.7-83.2-178.2-6112.1E217 S218 H219 R255 H261 K266E217-R263 WeakPolarHBondContact OE1-CD 3.47Å; E217-R263 WeakPolarHBondContact OE2-CD 3.29Å; E217-R263 IonicContact OE2-CZ 3.45Å; E217-R263 IonicContact OE2-NE 2.68Å; E217-R263 IonicContact OE2-NH1 3.42Å; E217-R263 PolarHBondContact OE2-NH1 3.32Å; S218-R263 WeakPolarHBondContact O-CG 3.5Å; H219-R263 HydrophobicContact CB-CG 4.19Å; H219-R263 VanDerWaalsContact CD2-CD 3.47Å; H219-R263 WeakPolarHBondContact CD2-CD 3.48Å; H219-R263 VanDerWaalsContact CD2-CG 3.43Å; H219-R263 WeakPolarHBondContact CD2-CG 3.25Å; H219-R263 PolarHBondContact CD2-NE 3.16Å; H219-R263 VanDerWaalsContact CD2-NE 3.29Å; R255-R263 PolarHBondContact NH1-O 3.47Å; H261-R263 VanDerWaalsContact C-N 3.34Å; H261-R263 PolarHBondContact CE1-O 2.77Å; H261-R263 VanDerWaalsContact CG-O 3.28Å; H261-R263 PolarHBondContact ND1-O 2.95Å; H261-R263 VanDerWaalsContact ND1-O 3.11Å; H261-R263 PolarHBondContact O-N 2.65Å; R263-K266 HydrophobicContact CB-CG 3.97Å; R263-K266 PolarHBondContact O-N 2.99Å
264P98.8Very high98.6Very high45 Ų4543.6 Ų43.629%0.29222%0.22SC..THydrogen-bonded Turntrans-52.7142.1175.4-27.336000111.8K266P264-K266 PolarHBondContact O-N 3.48Å; P264-K266 VanDerWaalsContact O-N 3.1Å
265N98.6Very high98.6Very high165 Ų16540.7 Ų40.788%0.88220%0.203SC*.THydrogen-bonded Turntrans59.218178.4-54.5-39.8000116.1
266K98.6Very high98.6Very high110 Ų11040 Ų4048%0.47820%0.2SC..SBendtrans-100.4154.4169.6-66.5-63.9-67.1179.40111.3H261 R263 P264H261-K266 WeakPolarHBondContact CB-O 3.31Å; H261-K266 PolarHBondContact ND1-O 2.67Å; R263-K266 HydrophobicContact CB-CG 3.97Å; R263-K266 PolarHBondContact O-N 2.99Å; P264-K266 PolarHBondContact O-N 3.48Å; P264-K266 VanDerWaalsContact O-N 3.1Å
267P98.6Very high98.6Very high76 Ų7638.3 Ų38.349%0.49419%0.192SC..PPolyproline II helixtrans-62.1152.3171.227.7-35.3000110.7H261 W312H261-P267 VanDerWaalsContact CB-O 3.25Å; H261-P267 WeakPolarHBondContact CB-O 3.45Å; P267-W312 HydrophobicContact CG-CZ2 4.07Å
268V98.6Very high98.6Very high20 Ų2032.9 Ų32.912%0.12117%0.167CC..PPolyproline II helixtrans-62156.2169.7-69.70000111Q257 N258 Y260 H261 Y297 W312Q257-V268 HydrophobicContact CB-CG1 3.85Å; Q257-V268 HydrophobicContact CG-CG1 4.05Å; N258-V268 WeakPolarHBondContact OD1-CG2 3.35Å; Y260-V268 CarbonylContact O-C 3.5Å; Y260-V268 VanDerWaalsContact O-CA 3.28Å; Y260-V268 WeakPolarHBondContact O-CA 3.46Å; Y260-V268 WeakPolarHBondContact O-CB 3.43Å; H261-V268 HydrophobicContact CB-CG1 4.37Å; V268-Y297 HydrophobicContact CB-CE1 4.3Å; V268-Y297 HydrophobicContact CB-CE2 4.13Å; V268-Y297 HydrophobicContact CG2-CD2 3.98Å; V268-Y297 HydrophobicContact CG2-CE1 4.26Å; V268-Y297 HydrophobicContact CG2-CE2 3.23Å; V268-Y297 VanDerWaalsContact CG2-CZ 3.41Å; V268-Y297 PolarHBondContact O-OH 3.3Å; V268-W312 VanDerWaalsContact O-CD1 3.22Å; V268-W312 PolarHBondContact O-NE1 2.92Å
269D98.8Very high98.8Very high18 Ų1829.3 Ų29.310%0.09615%0.148CC..  trans-151.5132178177.9-33.9000108.3Y260 C271 Y272 K311 H321Y260-D269 PolarHBondContact O-N 2.81Å; D269-C271 PolarHBondContact O-N 2.9Å; D269-C271 VanDerWaalsContact O-N 3.1Å; D269-C271 PolarHBondContact OD1-N 2.93Å; D269-C271 VanDerWaalsContact OD1-N 3.12Å; D269-C271 PolarHBondContact OD1-SG 3.31Å; D269-Y272 HydrophobicContact CB-CD2 3.73Å; D269-Y272 HydrophobicContact CB-CE2 3.86Å; D269-Y272 PolarHBondContact O-N 3.36Å; D269-K311 WeakPolarHBondContact CA-O 3.41Å; D269-K311 WeakPolarHBondContact OD2-CE 3.28Å; D269-K311 IonicContact OD2-NZ 3.47Å; D269-H321 IonicContact OD1-CD2 3.55Å; D269-H321 PolarHBondContact OD1-CD2 2.94Å; D269-H321 VanDerWaalsContact OD1-CD2 3.27Å; D269-H321 IonicContact OD1-NE2 3.54Å; D269-H321 PolarHBondContact OD1-NE2 3.39Å; D269-H321 VanDerWaalsContact OD1-NE2 3.13Å; D269-H321 IonicContact OD2-NE2 2.72Å
270T98.9Very high98.8Very high0 Ų029.3 Ų29.30%015%0.148CC..THydrogen-bonded Turntrans-51-37.6-172.8-64.50000113.3Y272 S273 I298 T301 F309 A310 K311T270-Y272 PolarHBondContact O-N 2.99Å; T270-S273 VanDerWaalsContact O-CB 3.25Å; T270-S273 WeakPolarHBondContact O-CB 3.42Å; T270-S273 PolarHBondContact O-N 3.37Å; T270-S273 PolarHBondContact O-OG 2.86Å; T270-S273 VanDerWaalsContact O-OG 3.05Å; T270-I298 HydrophobicContact CG2-CG2 4.19Å; T270-T301 WeakPolarHBondContact OG1-CG2 3.43Å; T270-T301 PolarHBondContact OG1-OG1 3.13Å; T270-F309 HydrophobicContact CG2-CB 4.43Å; T270-A310 WeakPolarHBondContact CB-O 3.41Å; T270-A310 PolarHBondContact OG1-O 3.43Å; T270-A310 VanDerWaalsContact OG1-O 3.11Å; T270-K311 PolarHBondContact N-O 3.39Å; T270-K311 VanDerWaalsContact N-O 3.08Å; T270-K311 PolarHBondContact OG1-O 3.36Å
271C98.8Very high98.8Very high8 Ų832.6 Ų32.65%0.05416%0.162CC..THydrogen-bonded Turntrans-63.8-27-177.567.60000113.1D269 S273 F274 W275 L320 F324D269-C271 PolarHBondContact O-N 2.9Å; D269-C271 VanDerWaalsContact O-N 3.1Å; D269-C271 PolarHBondContact OD1-N 2.93Å; D269-C271 VanDerWaalsContact OD1-N 3.12Å; D269-C271 PolarHBondContact OD1-SG 3.31Å; C271-S273 PolarHBondContact O-N 3.21Å; C271-F274 PolarHBondContact O-N 2.98Å; C271-F274 VanDerWaalsContact O-N 3.09Å; C271-W275 VanDerWaalsContact C-CD1 3.48Å; C271-W275 PolarHBondContact O-N 3.03Å; C271-L320 HydrophobicContact CB-CD2 3.98Å; C271-F324 HydrophobicContact CB-CB 4.03Å; C271-F324 HydrophobicContact CB-CD2 4.24Å; C271-F324 HydrophobicContact CB-CG 4.46Å
272Y98.9Very high98.8Very high34 Ų3433.6 Ų33.613%0.13317%0.168CC..Hα-helixtrans-71.7-15.8177.7-66.8-66.4000113.7H219 G262 D269 T270 F274 W275 V276 G277H219-Y272 AromaticContact CE1-CE1 3.68Å; H219-Y272 AromaticContact CE1-CZ 3.69Å; H219-Y272 PolarHBondContact CE1-OH 2.97Å; H219-Y272 PolarHBondContact NE2-OH 2.89Å; H219-Y272 VanDerWaalsContact NE2-OH 3.09Å; G262-Y272 VanDerWaalsContact N-CE2 3.28Å; D269-Y272 HydrophobicContact CB-CD2 3.73Å; D269-Y272 HydrophobicContact CB-CE2 3.86Å; D269-Y272 PolarHBondContact O-N 3.36Å; T270-Y272 PolarHBondContact O-N 2.99Å; Y272-F274 PolarHBondContact O-N 3.41Å; Y272-W275 HydrophobicContact CD1-CB 3.94Å; Y272-W275 AromaticContact CD1-CD1 3.99Å; Y272-W275 HydrophobicContact CD1-CG 4.31Å; Y272-W275 PolarHBondContact O-N 3.28Å; Y272-V276 HydrophobicContact CD1-CG2 4.16Å; Y272-V276 WeakPolarHBondContact O-CB 3.42Å; Y272-V276 PolarHBondContact O-N 3.48Å; Y272-G277 PolarHBondContact O-N 2.95Å
273S98.9Very high98.8Very high0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-60.4-29.3169.5-49.70000111.2T270 C271 G277 N294T270-S273 VanDerWaalsContact O-CB 3.25Å; T270-S273 WeakPolarHBondContact O-CB 3.42Å; T270-S273 PolarHBondContact O-N 3.37Å; T270-S273 PolarHBondContact O-OG 2.86Å; T270-S273 VanDerWaalsContact O-OG 3.05Å; C271-S273 PolarHBondContact O-N 3.21Å; S273-G277 WeakPolarHBondContact O-CA 3.37Å; S273-N294 PolarHBondContact OG-OD1 2.92Å
274F98.9Very high98.8Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-87.6-56.4165.6179.5-100000112.3F224 C271 Y272 V276 G277 A278 F324 C327 L331 V340 N345F224-F274 AromaticContact CE2-CE1 3.73Å; F224-F274 HydrophobicContact CE2-CE1 3.73Å; F224-F274 AromaticContact CE2-CZ 3.97Å; F224-F274 HydrophobicContact CE2-CZ 3.97Å; F224-F274 AromaticContact CZ-CE1 3.74Å; F224-F274 HydrophobicContact CZ-CE1 3.74Å; F224-F274 HydrophobicContact CZ-CZ 4.09Å; C271-F274 PolarHBondContact O-N 2.98Å; C271-F274 VanDerWaalsContact O-N 3.09Å; Y272-F274 PolarHBondContact O-N 3.41Å; F274-V276 PolarHBondContact O-N 3.44Å; F274-G277 PolarHBondContact O-N 3.26Å; F274-A278 HydrophobicContact CD2-CB 4.04Å; F274-A278 HydrophobicContact CE1-CB 4.43Å; F274-A278 HydrophobicContact CE2-CB 3.82Å; F274-A278 HydrophobicContact CG-CB 4.47Å; F274-A278 HydrophobicContact CZ-CB 4.04Å; F274-A278 WeakPolarHBondContact O-CA 3.48Å; F274-A278 WeakPolarHBondContact O-CB 3.35Å; F274-A278 PolarHBondContact O-N 3.45Å; F274-F324 HydrophobicContact CB-CB 4.08Å; F274-F324 HydrophobicContact CB-CD1 3.74Å; F274-F324 HydrophobicContact CB-CG 4.29Å; F274-F324 AromaticContact CD1-CD1 3.24Å; F274-F324 HydrophobicContact CD1-CD1 3.24Å; F274-F324 AromaticContact CD1-CE1 3.3Å; F274-F324 HydrophobicContact CD1-CE1 3.3Å; F274-F324 HydrophobicContact CD1-CG 4.35Å; F274-F324 HydrophobicContact CD1-CZ 4.44Å; F274-F324 AromaticContact CE1-CD1 3.95Å; F274-F324 HydrophobicContact CE1-CD1 3.95Å; F274-F324 AromaticContact CE1-CE1 3.56Å; F274-F324 HydrophobicContact CE1-CE1 3.56Å; F274-F324 AromaticContact CG-CD1 3.57Å; F274-F324 HydrophobicContact CG-CD1 3.57Å; F274-F324 HydrophobicContact CG-CE1 4.08Å; F274-F324 HydrophobicContact CZ-CE1 4.5Å; F274-C327 HydrophobicContact CB-CB 4.24Å; F274-C327 HydrophobicContact CD2-CB 3.38Å; F274-C327 HydrophobicContact CE2-CB 3.93Å; F274-C327 HydrophobicContact CG-CB 3.97Å; F274-L331 HydrophobicContact CD2-CD1 4.44Å; F274-V340 HydrophobicContact CE2-CG1 4.26Å; F274-V340 HydrophobicContact CE2-CG2 4.03Å; F274-N345 HydrophobicContact CE1-CB 4.46Å; F274-N345 HydrophobicContact CZ-CB 4.07Å; F274-N345 WeakPolarHBondContact CZ-OD1 3.23Å
275W98.9Very high98.8Very high50 Ų5036 Ų3619%0.18918%0.176CC..Hα-helixtrans-55.2-49.4-172.7-61.6115000112.7F224 C271 Y272 T279 F324F224-W275 HydrophobicContact CB-CB 4.4Å; F224-W275 HydrophobicContact CB-CE3 3.92Å; F224-W275 WeakPolarHBondContact CB-O 3.41Å; F224-W275 AromaticContact CD1-CE3 3.28Å; F224-W275 HydrophobicContact CD1-CE3 3.28Å; F224-W275 AromaticContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD2-CE3 4.25Å; F224-W275 AromaticContact CE1-CE3 3.77Å; F224-W275 HydrophobicContact CE1-CE3 3.77Å; F224-W275 AromaticContact CE1-CZ3 3.44Å; F224-W275 HydrophobicContact CE1-CZ3 3.44Å; F224-W275 VanDerWaalsContact CE1-CZ3 3.44Å; F224-W275 AromaticContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CZ3 4.07Å; F224-W275 HydrophobicContact CZ-CE3 4.41Å; F224-W275 HydrophobicContact CZ-CZ3 4.29Å; C271-W275 VanDerWaalsContact C-CD1 3.48Å; C271-W275 PolarHBondContact O-N 3.03Å; Y272-W275 HydrophobicContact CD1-CB 3.94Å; Y272-W275 AromaticContact CD1-CD1 3.99Å; Y272-W275 HydrophobicContact CD1-CG 4.31Å; Y272-W275 PolarHBondContact O-N 3.28Å; W275-T279 PolarHBondContact O-N 3.47Å; W275-T279 PolarHBondContact O-OG1 3.24Å; W275-F324 AromaticContact CE2-CE2 3.93Å; W275-F324 AromaticContact CE2-CZ 3.97Å; W275-F324 HydrophobicContact CH2-CE1 4.38Å; W275-F324 HydrophobicContact CH2-CE2 4.19Å; W275-F324 AromaticContact CH2-CZ 3.67Å; W275-F324 HydrophobicContact CH2-CZ 3.67Å; W275-F324 HydrophobicContact CZ2-CD2 4.29Å; W275-F324 HydrophobicContact CZ2-CE1 4.17Å; W275-F324 AromaticContact CZ2-CE2 3.43Å; W275-F324 HydrophobicContact CZ2-CE2 3.43Å; W275-F324 VanDerWaalsContact CZ2-CE2 3.43Å; W275-F324 AromaticContact CZ2-CZ 3.36Å; W275-F324 HydrophobicContact CZ2-CZ 3.36Å; W275-F324 HydrophobicContact CZ3-CZ 4.49Å
276V98.9Very high98.9Very high1 Ų128.2 Ų28.21%0.00613%0.134CC..Hα-helixtrans-80.9-41.2177.9-176.80000111C252 R255 Y260 Y272 F274 A278 T279 L280C252-V276 HydrophobicContact CB-CG1 4.24Å; C252-V276 WeakPolarHBondContact O-CG1 3.37Å; R255-V276 HydrophobicContact CB-CG1 3.93Å; R255-V276 HydrophobicContact CB-CG2 4.22Å; R255-V276 HydrophobicContact CG-CG1 3.98Å; R255-V276 HydrophobicContact CG-CG2 4.12Å; Y260-V276 HydrophobicContact CD1-CB 3.88Å; Y260-V276 HydrophobicContact CD1-CG1 3.74Å; Y260-V276 HydrophobicContact CE1-CG1 4.07Å; Y260-V276 HydrophobicContact CG-CB 4.34Å; Y272-V276 HydrophobicContact CD1-CG2 4.16Å; Y272-V276 WeakPolarHBondContact O-CB 3.42Å; Y272-V276 PolarHBondContact O-N 3.48Å; F274-V276 PolarHBondContact O-N 3.44Å; V276-A278 PolarHBondContact O-N 2.9Å; V276-T279 WeakPolarHBondContact O-CB 3.35Å; V276-T279 PolarHBondContact O-N 3.38Å; V276-L280 HydrophobicContact CG1-CD1 3.99Å; V276-L280 HydrophobicContact CG1-CG 4.3Å; V276-L280 WeakPolarHBondContact O-CG 3.18Å; V276-L280 PolarHBondContact O-N 2.94Å
277G98.9Very high98.9Very high0 Ų029.2 Ų29.20%014%0.141CC..Hα-helixtrans-59.2-45.518000000113.3Y272 S273 F274 T279 L280 K281 L331Y272-G277 PolarHBondContact O-N 2.95Å; S273-G277 WeakPolarHBondContact O-CA 3.37Å; F274-G277 PolarHBondContact O-N 3.26Å; G277-T279 VanDerWaalsContact C-N 3.34Å; G277-T279 PolarHBondContact O-N 3.23Å; G277-L280 CarbonylContact O-C 3.49Å; G277-L280 WeakPolarHBondContact O-CB 3.5Å; G277-L280 PolarHBondContact O-N 2.81Å; G277-K281 PolarHBondContact O-N 2.84Å; G277-L331 VanDerWaalsContact C-CD1 3.43Å
278A98.9Very high98.9Very high0 Ų033.7 Ų33.70%015%0.149CC..Hα-helixtrans-65.2-38.9176.600000111F224 F274 V276 L280 K281 L282 L331 P342F224-A278 HydrophobicContact CD2-CB 4.04Å; F224-A278 HydrophobicContact CE2-CB 3.8Å; F274-A278 HydrophobicContact CD2-CB 4.04Å; F274-A278 HydrophobicContact CE1-CB 4.43Å; F274-A278 HydrophobicContact CE2-CB 3.82Å; F274-A278 HydrophobicContact CG-CB 4.47Å; F274-A278 HydrophobicContact CZ-CB 4.04Å; F274-A278 WeakPolarHBondContact O-CA 3.48Å; F274-A278 WeakPolarHBondContact O-CB 3.35Å; F274-A278 PolarHBondContact O-N 3.45Å; V276-A278 PolarHBondContact O-N 2.9Å; A278-L280 PolarHBondContact O-N 3.23Å; A278-K281 WeakPolarHBondContact O-CB 3.46Å; A278-K281 PolarHBondContact O-N 3.23Å; A278-K281 VanDerWaalsContact O-N 3.11Å; A278-L282 WeakPolarHBondContact O-CG 3.41Å; A278-L282 PolarHBondContact O-N 2.84Å; A278-L331 HydrophobicContact CB-CD1 4.27Å; A278-L331 VanDerWaalsContact N-CD1 3.32Å; A278-P342 HydrophobicContact CB-CB 4.03Å
279T98.9Very high98.9Very high0 Ų033.4 Ų33.40%015%0.147CC..Hα-helixtrans-58.9-47.2171.9-53.30000111.1T223 F224 I227 W275 V276 G277 K281 L282 L283T223-T279 HydrophobicContact CG2-CG2 4.02Å; F224-T279 VanDerWaalsContact CA-OG1 3.23Å; F224-T279 WeakPolarHBondContact CA-OG1 3.46Å; F224-T279 WeakPolarHBondContact CB-OG1 3.32Å; I227-T279 HydrophobicContact CB-CG2 4.06Å; I227-T279 HydrophobicContact CG1-CG2 3.95Å; I227-T279 HydrophobicContact CG2-CG2 4.17Å; W275-T279 PolarHBondContact O-N 3.47Å; W275-T279 PolarHBondContact O-OG1 3.24Å; V276-T279 WeakPolarHBondContact O-CB 3.35Å; V276-T279 PolarHBondContact O-N 3.38Å; G277-T279 VanDerWaalsContact C-N 3.34Å; G277-T279 PolarHBondContact O-N 3.23Å; T279-K281 VanDerWaalsContact C-N 3.25Å; T279-K281 PolarHBondContact O-N 2.78Å; T279-L282 PolarHBondContact O-N 3.36Å; T279-L283 HydrophobicContact CG2-CD1 3.93Å; T279-L283 WeakPolarHBondContact O-CB 3.31Å; T279-L283 VanDerWaalsContact O-CG 3.28Å; T279-L283 WeakPolarHBondContact O-CG 3.3Å; T279-L283 PolarHBondContact O-N 3.34Å
280L98.9Very high98.9Very high0 Ų035.9 Ų35.90%016%0.161CC..Hα-helixtrans-63-32175.5-69.5168.2000112.3C252 I253 Y260 V276 G277 A278 L283 K284 I285 F286 T289C252-L280 HydrophobicContact CB-CD2 3.53Å; C252-L280 HydrophobicContact CB-CG 4Å; I253-L280 HydrophobicContact CB-CD2 4.08Å; Y260-L280 HydrophobicContact CE1-CD1 3.84Å; V276-L280 HydrophobicContact CG1-CD1 3.99Å; V276-L280 HydrophobicContact CG1-CG 4.3Å; V276-L280 WeakPolarHBondContact O-CG 3.18Å; V276-L280 PolarHBondContact O-N 2.94Å; G277-L280 CarbonylContact O-C 3.49Å; G277-L280 WeakPolarHBondContact O-CB 3.5Å; G277-L280 PolarHBondContact O-N 2.81Å; A278-L280 PolarHBondContact O-N 3.23Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 PolarHBondContact O-N 2.99Å; L280-K284 PolarHBondContact O-N 3.38Å; L280-K284 VanDerWaalsContact O-N 3.12Å; L280-I285 HydrophobicContact CB-CG1 4.45Å; L280-I285 HydrophobicContact CD2-CD1 3.41Å; L280-I285 VanDerWaalsContact CD2-CD1 3.41Å; L280-I285 HydrophobicContact CD2-CG1 3.67Å; L280-I285 PolarHBondContact O-N 2.64Å; L280-F286 HydrophobicContact CB-CB 3.87Å; L280-F286 HydrophobicContact CB-CD2 4.05Å; L280-F286 HydrophobicContact CB-CG 4.47Å; L280-F286 HydrophobicContact CD1-CD2 4.42Å; L280-F286 PolarHBondContact O-N 3.14Å; L280-T289 HydrophobicContact CD1-CG2 3.83Å
281K98.9Very high98.9Very high68 Ų6839.3 Ų39.330%0.29618%0.176SC..Hα-helixtrans-67.9-46.4175.4-166.875.5170.4-163.80110.6G277 A278 T279 L283 K284 F286 L331 P342G277-K281 PolarHBondContact O-N 2.84Å; A278-K281 WeakPolarHBondContact O-CB 3.46Å; A278-K281 PolarHBondContact O-N 3.23Å; A278-K281 VanDerWaalsContact O-N 3.11Å; T279-K281 VanDerWaalsContact C-N 3.25Å; T279-K281 PolarHBondContact O-N 2.78Å; K281-L283 VanDerWaalsContact C-N 3.27Å; K281-L283 PolarHBondContact O-N 2.99Å; K281-K284 PolarHBondContact O-N 3.41Å; K281-F286 HydrophobicContact CB-CB 4.22Å; K281-F286 HydrophobicContact CD-CB 4.19Å; K281-F286 HydrophobicContact CD-CD1 4.23Å; K281-L331 HydrophobicContact CB-CD2 4.07Å; K281-L331 HydrophobicContact CD-CD2 4.38Å; K281-L331 HydrophobicContact CG-CD2 4.04Å; K281-P342 HydrophobicContact CB-CB 4.19Å; K281-P342 HydrophobicContact CB-CG 4.48Å; K281-P342 HydrophobicContact CG-CB 4.23Å; K281-P342 HydrophobicContact CG-CG 4.1Å
282L98.9Very high98.9Very high29 Ų2944 Ų4415%0.15220%0.196CC..Hα-helixtrans-60.8-36.9174.1-67.4172.5000111.9I227 A228 C231 A278 T279 K284 P342 A343I227-L282 HydrophobicContact CG2-CB 4.18Å; I227-L282 HydrophobicContact CG2-CD1 4.16Å; A228-L282 HydrophobicContact CB-CD1 3.98Å; C231-L282 HydrophobicContact CB-CD1 4.48Å; C231-L282 HydrophobicContact CB-CD2 4.13Å; A278-L282 WeakPolarHBondContact O-CG 3.41Å; A278-L282 PolarHBondContact O-N 2.84Å; T279-L282 PolarHBondContact O-N 3.36Å; L282-K284 PolarHBondContact O-N 3.1Å; L282-P342 HydrophobicContact CD2-CB 4.15Å; L282-P342 HydrophobicContact CD2-CG 3.78Å; L282-P342 HydrophobicContact CG-CB 4.17Å; L282-P342 HydrophobicContact CG-CG 4.28Å; L282-A343 HydrophobicContact CD1-CB 4.13Å; L282-A343 HydrophobicContact CD2-CB 3.75Å
283L98.9Very high98.8Very high8 Ų847.7 Ų47.74%0.04221%0.213CC..THydrogen-bonded Turntrans-82.56.1175.8-63.5172000114.1I227 L236 L245 I248 K249 T279 L280 K281 I285I227-L283 HydrophobicContact CG2-CD2 4.37Å; I227-L283 HydrophobicContact CG2-CG 4.43Å; L236-L283 HydrophobicContact CD2-CD2 4.2Å; L245-L283 HydrophobicContact CD2-CD2 3.92Å; I248-L283 HydrophobicContact CG2-CD1 3.95Å; K249-L283 WeakPolarHBondContact CE-O 3.48Å; K249-L283 HydrophobicContact CG-CB 3.91Å; K249-L283 HydrophobicContact CG-CD1 4Å; K249-L283 HydrophobicContact CG-CG 4.38Å; T279-L283 HydrophobicContact CG2-CD1 3.93Å; T279-L283 WeakPolarHBondContact O-CB 3.31Å; T279-L283 VanDerWaalsContact O-CG 3.28Å; T279-L283 WeakPolarHBondContact O-CG 3.3Å; T279-L283 PolarHBondContact O-N 3.34Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 PolarHBondContact O-N 2.99Å; K281-L283 VanDerWaalsContact C-N 3.27Å; K281-L283 PolarHBondContact O-N 2.99Å; L283-I285 HydrophobicContact CB-CG1 4.22Å; L283-I285 PolarHBondContact O-N 3.4Å
284K98.8Very high98.8Very high147 Ų14747.7 Ų47.764%0.63921%0.213SC*.THydrogen-bonded Turntrans59.128.6174.9-53.7170.6-173.51640114.6L280 K281 L282 Q287L280-K284 PolarHBondContact O-N 3.38Å; L280-K284 VanDerWaalsContact O-N 3.12Å; K281-K284 PolarHBondContact O-N 3.41Å; L282-K284 PolarHBondContact O-N 3.1Å; K284-Q287 PolarHBondContact O-NE2 2.97Å; K284-Q287 VanDerWaalsContact O-NE2 3.13Å
285I98.8Very high98.8Very high22 Ų2249.1 Ų49.111%0.11322%0.219CC..  trans-127.72.8179.760.5154.6000114.2K249 I253 L280 L283 Q287 Y288K249-I285 HydrophobicContact CB-CD1 3.5Å; K249-I285 HydrophobicContact CD-CD1 4.2Å; K249-I285 HydrophobicContact CD-CG1 4.48Å; K249-I285 HydrophobicContact CD-CG2 4.01Å; K249-I285 HydrophobicContact CG-CD1 3.58Å; K249-I285 HydrophobicContact CG-CG1 4.06Å; K249-I285 HydrophobicContact CG-CG2 4.5Å; I253-I285 HydrophobicContact CB-CD1 4.48Å; L280-I285 HydrophobicContact CB-CG1 4.45Å; L280-I285 HydrophobicContact CD2-CD1 3.41Å; L280-I285 VanDerWaalsContact CD2-CD1 3.41Å; L280-I285 HydrophobicContact CD2-CG1 3.67Å; L280-I285 PolarHBondContact O-N 2.64Å; L283-I285 HydrophobicContact CB-CG1 4.22Å; L283-I285 PolarHBondContact O-N 3.4Å; I285-Q287 PolarHBondContact O-N 3.45Å; I285-Y288 HydrophobicContact CB-CD2 3.91Å; I285-Y288 HydrophobicContact CB-CE2 4.45Å; I285-Y288 HydrophobicContact CG2-CD2 4.02Å; I285-Y288 HydrophobicContact CG2-CE2 4.12Å; I285-Y288 PolarHBondContact O-N 3.23Å
286F98.9Very high98.8Very high2 Ų250.5 Ų50.51%0.00923%0.23CC..G310 helixtrans-57.4-33.7174.2-175.1-109.3000112.6L280 K281 Y288 T289 F291 L331 M332L280-F286 HydrophobicContact CB-CB 3.87Å; L280-F286 HydrophobicContact CB-CD2 4.05Å; L280-F286 HydrophobicContact CB-CG 4.47Å; L280-F286 HydrophobicContact CD1-CD2 4.42Å; L280-F286 PolarHBondContact O-N 3.14Å; K281-F286 HydrophobicContact CB-CB 4.22Å; K281-F286 HydrophobicContact CD-CB 4.19Å; K281-F286 HydrophobicContact CD-CD1 4.23Å; F286-Y288 PolarHBondContact O-N 2.8Å; F286-T289 HydrophobicContact CD2-CG2 4.14Å; F286-T289 WeakPolarHBondContact O-CB 3.28Å; F286-T289 WeakPolarHBondContact O-CG2 3.38Å; F286-T289 PolarHBondContact O-N 3.36Å; F286-T289 PolarHBondContact O-OG1 2.81Å; F286-F291 AromaticContact CD1-CE1 3.67Å; F286-F291 HydrophobicContact CD1-CE1 3.67Å; F286-F291 AromaticContact CD1-CZ 3.77Å; F286-F291 HydrophobicContact CD1-CZ 3.77Å; F286-F291 HydrophobicContact CE1-CD1 4.21Å; F286-F291 AromaticContact CE1-CE1 3.3Å; F286-F291 HydrophobicContact CE1-CE1 3.3Å; F286-F291 AromaticContact CE1-CZ 3.52Å; F286-F291 HydrophobicContact CE1-CZ 3.52Å; F286-F291 HydrophobicContact CE2-CE1 4.46Å; F286-F291 HydrophobicContact CG-CE1 4.38Å; F286-F291 HydrophobicContact CZ-CD1 4.31Å; F286-F291 AromaticContact CZ-CE1 3.77Å; F286-F291 HydrophobicContact CZ-CE1 3.77Å; F286-F291 HydrophobicContact CZ-CZ 4.4Å; F286-F291 WeakPolarHBondContact O-CE1 3.43Å; F286-L331 HydrophobicContact CD1-CB 4.29Å; F286-L331 HydrophobicContact CE1-CB 3.63Å; F286-L331 VanDerWaalsContact CE1-O 3.31Å; F286-L331 WeakPolarHBondContact CE1-O 3.44Å; F286-L331 HydrophobicContact CZ-CB 3.84Å; F286-M332 HydrophobicContact CE1-CG 3.73Å; F286-M332 HydrophobicContact CZ-CG 3.66Å; F286-M332 HydrophobicContact CZ-SD 4.42Å
287Q98.8Very high98.8Very high130 Ų13051.1 Ų51.161%0.60723%0.232SC*.G310 helixtrans-58.5-15.1175.465.8-165.8-20.400114.9K284 I285K284-Q287 PolarHBondContact O-NE2 2.97Å; K284-Q287 VanDerWaalsContact O-NE2 3.13Å; I285-Q287 PolarHBondContact O-N 3.45Å
288Y98.9Very high98.8Very high170 Ų17051.1 Ų51.167%0.66723%0.232SC*.G310 helixtrans-97.66177.2-55.3-49.3000113.3I285 F286I285-Y288 HydrophobicContact CB-CD2 3.91Å; I285-Y288 HydrophobicContact CB-CE2 4.45Å; I285-Y288 HydrophobicContact CG2-CD2 4.02Å; I285-Y288 HydrophobicContact CG2-CE2 4.12Å; I285-Y288 PolarHBondContact O-N 3.23Å; F286-Y288 PolarHBondContact O-N 2.8Å
289T98.9Very high98.8Very high14 Ų1451.3 Ų51.39%0.08623%0.233CC..SBendtrans-88.7164.2178.865.60000111.4I253 Y260 L280 F286 F291I253-T289 HydrophobicContact CD1-CG2 4.42Å; I253-T289 HydrophobicContact CG1-CG2 4.27Å; Y260-T289 VanDerWaalsContact OH-CB 3.3Å; Y260-T289 WeakPolarHBondContact OH-CB 3.38Å; Y260-T289 VanDerWaalsContact OH-CG2 3.25Å; Y260-T289 WeakPolarHBondContact OH-CG2 3.12Å; L280-T289 HydrophobicContact CD1-CG2 3.83Å; F286-T289 HydrophobicContact CD2-CG2 4.14Å; F286-T289 WeakPolarHBondContact O-CB 3.28Å; F286-T289 WeakPolarHBondContact O-CG2 3.38Å; F286-T289 PolarHBondContact O-N 3.36Å; F286-T289 PolarHBondContact O-OG1 2.81Å; T289-F291 PolarHBondContact O-N 2.78Å; T289-F291 WeakPolarHBondContact OG1-CD1 3.48Å; T289-F291 WeakPolarHBondContact OG1-CE1 3.41Å
290N98.8Very high98.7Very high71 Ų7153.3 Ų53.338%0.3825%0.247SC..  trans-83.999.6177.4-171.3-52.9000110.5Q256 E292 K293 N294Q256-N290 PolarHBondContact NE2-O 2.61Å; N290-E292 PolarHBondContact OD1-N 3.29Å; N290-K293 HydrophobicContact CB-CB 4.44Å; N290-K293 WeakPolarHBondContact OD1-CB 3.23Å; N290-K293 WeakPolarHBondContact OD1-CG 3.29Å; N290-K293 PolarHBondContact OD1-N 3.4Å; N290-N294 PolarHBondContact O-N 2.99Å
291F98.8Very high98.7Very high72 Ų7253.6 Ų53.632%0.31625%0.249SC..Hα-helixtrans-65.9-45-177-75.78000112.8F286 T289 K293 N294 R295 M332F286-F291 AromaticContact CD1-CE1 3.67Å; F286-F291 HydrophobicContact CD1-CE1 3.67Å; F286-F291 AromaticContact CD1-CZ 3.77Å; F286-F291 HydrophobicContact CD1-CZ 3.77Å; F286-F291 HydrophobicContact CE1-CD1 4.21Å; F286-F291 AromaticContact CE1-CE1 3.3Å; F286-F291 HydrophobicContact CE1-CE1 3.3Å; F286-F291 AromaticContact CE1-CZ 3.52Å; F286-F291 HydrophobicContact CE1-CZ 3.52Å; F286-F291 HydrophobicContact CE2-CE1 4.46Å; F286-F291 HydrophobicContact CG-CE1 4.38Å; F286-F291 HydrophobicContact CZ-CD1 4.31Å; F286-F291 AromaticContact CZ-CE1 3.77Å; F286-F291 HydrophobicContact CZ-CE1 3.77Å; F286-F291 HydrophobicContact CZ-CZ 4.4Å; F286-F291 WeakPolarHBondContact O-CE1 3.43Å; T289-F291 PolarHBondContact O-N 2.78Å; T289-F291 WeakPolarHBondContact OG1-CD1 3.48Å; T289-F291 WeakPolarHBondContact OG1-CE1 3.41Å; F291-K293 PolarHBondContact O-N 2.88Å; F291-N294 PolarHBondContact O-N 3.42Å; F291-N294 VanDerWaalsContact O-N 3.14Å; F291-R295 WeakPolarHBondContact O-CB 3.27Å; F291-R295 PolarHBondContact O-N 3.31Å; F291-M332 HydrophobicContact CB-CG 4.32Å; F291-M332 HydrophobicContact CB-SD 3.79Å; F291-M332 HydrophobicContact CD1-CG 3.88Å; F291-M332 HydrophobicContact CD1-SD 4.03Å; F291-M332 HydrophobicContact CD2-CB 3.98Å; F291-M332 HydrophobicContact CD2-CG 3.92Å; F291-M332 HydrophobicContact CD2-SD 4.49Å; F291-M332 HydrophobicContact CE1-CG 4.09Å; F291-M332 HydrophobicContact CE2-CB 4.18Å; F291-M332 HydrophobicContact CE2-CG 4.14Å; F291-M332 HydrophobicContact CG-CB 4.31Å; F291-M332 HydrophobicContact CG-CG 3.79Å; F291-M332 HydrophobicContact CG-SD 3.87Å; F291-M332 HydrophobicContact CZ-CG 4.23Å
292E98.3Very high98.7Very high105 Ų10551 Ų5149%0.49124%0.238SC..Hα-helixtrans-58.7-47.5-177.1-69.7-59.1140.100112.4N290 N294 R295 N296N290-E292 PolarHBondContact OD1-N 3.29Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 2.85Å; E292-R295 PolarHBondContact O-N 2.61Å; E292-N296 VanDerWaalsContact O-CB 3.26Å; E292-N296 WeakPolarHBondContact O-CB 3.22Å; E292-N296 PolarHBondContact O-N 3.48Å; E292-N296 PolarHBondContact O-ND2 3.35Å
293K98.5Very high98.7Very high113 Ų11351.5 Ų51.549%0.49124%0.24SC..Hα-helixtrans-62.6-39.9177.5-75.3-177176.7-72.80112N258 N290 F291 Y297N258-K293 CarbonylContact C-O 3.58Å; N258-K293 CarbonylContact O-C 3.59Å; N258-K293 VanDerWaalsContact O-O 3.08Å; N290-K293 HydrophobicContact CB-CB 4.44Å; N290-K293 WeakPolarHBondContact OD1-CB 3.23Å; N290-K293 WeakPolarHBondContact OD1-CG 3.29Å; N290-K293 PolarHBondContact OD1-N 3.4Å; F291-K293 PolarHBondContact O-N 2.88Å; K293-Y297 WeakPolarHBondContact O-CB 3.34Å; K293-Y297 PolarHBondContact O-N 2.87Å
294N98.9Very high98.7Very high0 Ų056.2 Ų56.20%026%0.258CS..Hα-helixtrans-67.9-50.6179.7-175.142000111.1N258 Y260 S273 N290 F291 E292 N296 Y297 I298 M332N258-N294 WeakPolarHBondContact O-CA 3.35Å; N258-N294 PolarHBondContact O-N 3.25Å; N258-N294 VanDerWaalsContact O-N 3.11Å; Y260-N294 WeakPolarHBondContact CD2-OD1 3.33Å; Y260-N294 HydrophobicContact CE2-CB 4.24Å; Y260-N294 WeakPolarHBondContact CE2-OD1 3.47Å; S273-N294 PolarHBondContact OG-OD1 2.92Å; N290-N294 PolarHBondContact O-N 2.99Å; F291-N294 PolarHBondContact O-N 3.42Å; F291-N294 VanDerWaalsContact O-N 3.14Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 2.85Å; N294-N296 VanDerWaalsContact C-N 3.32Å; N294-N296 PolarHBondContact O-N 2.92Å; N294-Y297 PolarHBondContact O-N 2.63Å; N294-Y297 VanDerWaalsContact O-N 3.17Å; N294-I298 WeakPolarHBondContact O-CG1 3.5Å; N294-I298 PolarHBondContact O-N 2.99Å; N294-M332 HydrophobicContact CB-CE 4.41Å; N294-M332 HydrophobicContact CB-SD 4.02Å; N294-M332 WeakPolarHBondContact ND2-CE 3.49Å; N294-M332 PolarHBondContact ND2-SD 3.38Å; N294-M332 VanDerWaalsContact ND2-SD 3.43Å
295R98.6Very high98.6Very high30 Ų3055.9 Ų55.911%0.11326%0.262CS..Hα-helixtrans-55-48.3176.2-174-174.1-178.1-81-5.9111.1F291 E292 Y297 I298 L299 L329 M332 E334F291-R295 WeakPolarHBondContact O-CB 3.27Å; F291-R295 PolarHBondContact O-N 3.31Å; E292-R295 PolarHBondContact O-N 2.61Å; R295-Y297 VanDerWaalsContact C-N 3.33Å; R295-Y297 PolarHBondContact O-N 2.89Å; R295-I298 PolarHBondContact O-N 3.26Å; R295-L299 HydrophobicContact CG-CD1 3.98Å; R295-L299 WeakPolarHBondContact O-CG 3.37Å; R295-L299 PolarHBondContact O-N 3.2Å; R295-L329 HydrophobicContact CG-CD2 3.85Å; R295-M332 HydrophobicContact CB-CE 3.83Å; R295-M332 HydrophobicContact CB-SD 4.41Å; R295-M332 HydrophobicContact CG-CE 4.49Å; R295-E334 WeakPolarHBondContact CD-OE2 3.28Å; R295-E334 IonicContact CZ-OE1 2.66Å; R295-E334 IonicContact CZ-OE2 2.98Å; R295-E334 IonicContact NE-OE1 2.9Å; R295-E334 IonicContact NE-OE2 3.73Å; R295-E334 PolarHBondContact NE-OE2 3.25Å; R295-E334 IonicContact NH2-OE1 3.5Å; R295-E334 PolarHBondContact NH2-OE1 3.34Å; R295-E334 IonicContact NH2-OE2 2.75Å; R295-E334 PolarHBondContact NH2-OE2 2.9Å
296N98.4Very high98.5Very high78 Ų7857.4 Ų57.442%0.41727%0.272SS..Hα-helixtrans-62.8-38.6179.2-69.5-17000112.4E292 N294 S300E292-N296 VanDerWaalsContact O-CB 3.26Å; E292-N296 WeakPolarHBondContact O-CB 3.22Å; E292-N296 PolarHBondContact O-N 3.48Å; E292-N296 PolarHBondContact O-ND2 3.35Å; N294-N296 VanDerWaalsContact C-N 3.32Å; N294-N296 PolarHBondContact O-N 2.92Å; N296-S300 WeakPolarHBondContact O-CB 3.4Å; N296-S300 PolarHBondContact O-N 3.06Å; N296-S300 PolarHBondContact O-OG 2.86Å
297Y98.7Very high98.5Very high15 Ų1557.3 Ų57.36%0.05927%0.272CS..Hα-helixtrans-66.2-43.9174.1177-93.9000112.3V268 K293 N294 R295 L299 S300 T301 K311V268-Y297 HydrophobicContact CB-CE1 4.3Å; V268-Y297 HydrophobicContact CB-CE2 4.13Å; V268-Y297 HydrophobicContact CG2-CD2 3.98Å; V268-Y297 HydrophobicContact CG2-CE1 4.26Å; V268-Y297 HydrophobicContact CG2-CE2 3.23Å; V268-Y297 VanDerWaalsContact CG2-CZ 3.41Å; V268-Y297 PolarHBondContact O-OH 3.3Å; K293-Y297 WeakPolarHBondContact O-CB 3.34Å; K293-Y297 PolarHBondContact O-N 2.87Å; N294-Y297 PolarHBondContact O-N 2.63Å; N294-Y297 VanDerWaalsContact O-N 3.17Å; R295-Y297 VanDerWaalsContact C-N 3.33Å; R295-Y297 PolarHBondContact O-N 2.89Å; Y297-L299 VanDerWaalsContact C-N 3.34Å; Y297-L299 PolarHBondContact O-N 3.46Å; Y297-S300 PolarHBondContact O-N 3.3Å; Y297-S300 PolarHBondContact O-OG 3Å; Y297-T301 HydrophobicContact CE1-CG2 4.34Å; Y297-T301 WeakPolarHBondContact O-CG2 3.28Å; Y297-K311 PolarHBondContact OH-O 3.04Å
298I98.8Very high98.5Very high0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-60.9-47.5177.7-63.1165.8000109.9T270 N294 R295 S300 T301 F309 L329 M332T270-I298 HydrophobicContact CG2-CG2 4.19Å; N294-I298 WeakPolarHBondContact O-CG1 3.5Å; N294-I298 PolarHBondContact O-N 2.99Å; R295-I298 PolarHBondContact O-N 3.26Å; I298-S300 VanDerWaalsContact C-N 3.29Å; I298-S300 PolarHBondContact O-N 3.45Å; I298-T301 PolarHBondContact O-N 3.38Å; I298-T301 VanDerWaalsContact O-N 3.09Å; I298-T301 PolarHBondContact O-OG1 3.49Å; I298-F309 HydrophobicContact CG2-CD1 3.98Å; I298-F309 HydrophobicContact CG2-CE1 3.72Å; I298-F309 HydrophobicContact CG2-CZ 4.32Å; I298-F309 VanDerWaalsContact O-CD1 3.24Å; I298-F309 WeakPolarHBondContact O-CD1 3.07Å; I298-F309 WeakPolarHBondContact O-CE1 3.48Å; I298-L329 HydrophobicContact CB-CD2 4.34Å; I298-L329 HydrophobicContact CB-CG 4.49Å; I298-L329 HydrophobicContact CD1-CD2 4.15Å; I298-L329 HydrophobicContact CD1-CG 4.19Å; I298-L329 HydrophobicContact CG2-CD1 4.07Å; I298-L329 HydrophobicContact CG2-CD2 4.23Å; I298-L329 HydrophobicContact CG2-CG 3.89Å; I298-M332 HydrophobicContact CD1-CE 3.98Å
299L98.7Very high98.5Very high3 Ų343 Ų432%0.01621%0.211CC..Hα-helixtrans-69.8-24-177.6-64.8178.2000113.5L18 F20 R295 Y297 T301 Q302 F309 L329L18-L299 HydrophobicContact CB-CB 4Å; L18-L299 HydrophobicContact CD1-CB 4.5Å; L18-L299 WeakPolarHBondContact O-CD1 3.45Å; F20-L299 HydrophobicContact CB-CD2 4.23Å; F20-L299 HydrophobicContact CD2-CD2 4.23Å; R295-L299 HydrophobicContact CG-CD1 3.98Å; R295-L299 WeakPolarHBondContact O-CG 3.37Å; R295-L299 PolarHBondContact O-N 3.2Å; Y297-L299 VanDerWaalsContact C-N 3.34Å; Y297-L299 PolarHBondContact O-N 3.46Å; L299-T301 PolarHBondContact O-N 2.75Å; L299-Q302 WeakPolarHBondContact O-CB 3.33Å; L299-Q302 PolarHBondContact O-N 3.06Å; L299-F309 HydrophobicContact CD2-CE1 4.16Å; L299-F309 HydrophobicContact CD2-CZ 4.25Å; L299-L329 HydrophobicContact CD2-CD1 4Å; L299-L329 HydrophobicContact CD2-CD2 4.45Å; L299-L329 HydrophobicContact CG-CD2 4.47Å
300S98.4Very high98.5Very high43 Ų4342.4 Ų42.430%0.30121%0.208SC..Hα-helixtrans-72.3-14.3172.370.70000113.4N296 Y297 I298 P313N296-S300 WeakPolarHBondContact O-CB 3.4Å; N296-S300 PolarHBondContact O-N 3.06Å; N296-S300 PolarHBondContact O-OG 2.86Å; Y297-S300 PolarHBondContact O-N 3.3Å; Y297-S300 PolarHBondContact O-OG 3Å; I298-S300 VanDerWaalsContact C-N 3.29Å; I298-S300 PolarHBondContact O-N 3.45Å; S300-P313 WeakPolarHBondContact O-CA 3.34Å; S300-P313 WeakPolarHBondContact O-CB 3.29Å
301T98.8Very high98.5Very high5 Ų541.9 Ų41.93%0.03120%0.202CC..THydrogen-bonded Turntrans-96.76.4171.985.20000113.5T270 Y297 I298 L299 F309 A310 W312 P313T270-T301 WeakPolarHBondContact OG1-CG2 3.43Å; T270-T301 PolarHBondContact OG1-OG1 3.13Å; Y297-T301 HydrophobicContact CE1-CG2 4.34Å; Y297-T301 WeakPolarHBondContact O-CG2 3.28Å; I298-T301 PolarHBondContact O-N 3.38Å; I298-T301 VanDerWaalsContact O-N 3.09Å; I298-T301 PolarHBondContact O-OG1 3.49Å; L299-T301 PolarHBondContact O-N 2.75Å; T301-F309 WeakPolarHBondContact O-CA 3.24Å; T301-A310 VanDerWaalsContact CB-O 3.23Å; T301-A310 WeakPolarHBondContact CB-O 3.46Å; T301-A310 PolarHBondContact O-N 3.43Å; T301-A310 PolarHBondContact OG1-O 3.03Å; T301-W312 VanDerWaalsContact CG2-C 3.43Å; T301-P313 HydrophobicContact CG2-CG 4.18Å
302Q98.8Very high98.5Very high14 Ų1443.4 Ų43.47%0.06521%0.206CC..BIsolated β-bridgetrans-73.3123.8177.2-174.9177-120.400110.8D19 H25 L299 R304 F309D19-Q302 PolarHBondContact O-NE2 2.89Å; H25-Q302 PolarHBondContact NE2-OE1 2.86Å; L299-Q302 WeakPolarHBondContact O-CB 3.33Å; L299-Q302 PolarHBondContact O-N 3.06Å; Q302-R304 PolarHBondContact O-N 3.3Å; Q302-F309 HydrophobicContact CB-CD1 3.93Å; Q302-F309 HydrophobicContact CB-CE1 3.61Å; Q302-F309 HydrophobicContact CB-CZ 4.33Å; Q302-F309 HydrophobicContact CG-CE1 4.06Å; Q302-F309 HydrophobicContact CG-CZ 4.28Å
303D98.5Very high98.4Very high39 Ų3940.9 Ų40.921%0.20920%0.198CC..  trans-79.2109.9171.2-170.1-54.7000109.6L305 V306 G307 G308 P317D303-L305 VanDerWaalsContact C-N 3.28Å; D303-L305 PolarHBondContact O-N 3.27Å; D303-L305 WeakPolarHBondContact OD1-CA 3.31Å; D303-L305 WeakPolarHBondContact OD1-CB 3.45Å; D303-L305 PolarHBondContact OD1-N 3.47Å; D303-V306 HydrophobicContact CB-CG2 4.03Å; D303-V306 WeakPolarHBondContact OD1-CG2 3.37Å; D303-V306 PolarHBondContact OD1-N 2.87Å; D303-V306 WeakPolarHBondContact OD2-CG2 3.35Å; D303-G307 WeakPolarHBondContact O-CA 3.45Å; D303-G307 PolarHBondContact O-N 3.11Å; D303-G308 PolarHBondContact N-O 2.77Å; D303-P317 HydrophobicContact CB-CB 4.22Å; D303-P317 HydrophobicContact CB-CG 3.72Å
304R97.8Very high98.3Very high108 Ų10844 Ų4441%0.40822%0.22SC..THydrogen-bonded Turntrans-75.5-16.9-176.4-57.8-178.470.685.5-6.6113.1L21 R24 Q302L21-R304 HydrophobicContact CD1-CB 3.9Å; L21-R304 HydrophobicContact CD1-CG 3.89Å; R24-R304 WeakPolarHBondContact CD-O 3.18Å; R24-R304 PolarHBondContact NE-O 3.37Å; R24-R304 PolarHBondContact NH1-O 3.35Å; Q302-R304 PolarHBondContact O-N 3.3Å
305L97.4Very high98.2Very high139 Ų13946.4 Ų46.473%0.72824%0.237SC*.THydrogen-bonded Turntrans-88.7-63.4-179.4-176.372000110R24 D303R24-L305 PolarHBondContact NH1-O 3.02Å; D303-L305 VanDerWaalsContact C-N 3.28Å; D303-L305 PolarHBondContact O-N 3.27Å; D303-L305 WeakPolarHBondContact OD1-CA 3.31Å; D303-L305 WeakPolarHBondContact OD1-CB 3.45Å; D303-L305 PolarHBondContact OD1-N 3.47Å
306V97.8Very high98.2Very high54 Ų5452.6 Ų52.633%0.32727%0.267SS..THydrogen-bonded Turntrans-90.4-15.2-175.2-58.50000112.7R31 D303 P317R31-V306 VanDerWaalsContact CZ-O 3.23Å; R31-V306 PolarHBondContact NH1-O 3.12Å; R31-V306 PolarHBondContact NH2-O 2.97Å; D303-V306 HydrophobicContact CB-CG2 4.03Å; D303-V306 WeakPolarHBondContact OD1-CG2 3.37Å; D303-V306 PolarHBondContact OD1-N 2.87Å; D303-V306 WeakPolarHBondContact OD2-CG2 3.35Å; V306-P317 HydrophobicContact CG2-CG 3.68Å
307G98.4Very high98.2Very high0 Ų049.5 Ų49.50%025%0.251CS..  trans79.3176.5-171.400000112.4F28 D303F28-G307 WeakPolarHBondContact CD2-O 3.45Å; F28-G307 WeakPolarHBondContact CE2-O 3.22Å; D303-G307 WeakPolarHBondContact O-CA 3.45Å; D303-G307 PolarHBondContact O-N 3.11Å
308G98.8Very high98.2Very high0 Ų051.1 Ų51.10%026%0.261CS..SBendtrans81.6177.3-170.800000112.2H25 D303H25-G308 PolarHBondContact CE1-N 2.92Å; H25-G308 PolarHBondContact CE1-O 3.03Å; H25-G308 WeakPolarHBondContact ND1-CA 3.44Å; H25-G308 PolarHBondContact ND1-N 3.39Å; D303-G308 PolarHBondContact N-O 2.77Å
309F98.9Very high98.2Very high0 Ų051.7 Ų51.70%027%0.265CS..BIsolated β-bridgetrans-125146.8177.4-66.4-93.6000109.2F20 H25 T270 I298 L299 T301 Q302 P317 D318 H321 A322 I326 L329F20-F309 HydrophobicContact CD2-CZ 4.03Å; F20-F309 AromaticContact CE2-CE2 3.98Å; F20-F309 HydrophobicContact CE2-CE2 3.98Å; F20-F309 AromaticContact CE2-CZ 3.91Å; F20-F309 HydrophobicContact CE2-CZ 3.91Å; H25-F309 AromaticContact CE1-CD2 3.62Å; H25-F309 AromaticContact CE1-CE2 3.14Å; H25-F309 WeakPolarHBondContact CE1-CE2 3.45Å; H25-F309 AromaticContact CE1-CZ 3.6Å; H25-F309 AromaticContact ND1-CD2 3.95Å; H25-F309 AromaticContact ND1-CE2 3.64Å; H25-F309 AromaticContact NE2-CE2 3.53Å; H25-F309 AromaticContact NE2-CZ 3.66Å; T270-F309 HydrophobicContact CG2-CB 4.43Å; I298-F309 HydrophobicContact CG2-CD1 3.98Å; I298-F309 HydrophobicContact CG2-CE1 3.72Å; I298-F309 HydrophobicContact CG2-CZ 4.32Å; I298-F309 VanDerWaalsContact O-CD1 3.24Å; I298-F309 WeakPolarHBondContact O-CD1 3.07Å; I298-F309 WeakPolarHBondContact O-CE1 3.48Å; L299-F309 HydrophobicContact CD2-CE1 4.16Å; L299-F309 HydrophobicContact CD2-CZ 4.25Å; T301-F309 WeakPolarHBondContact O-CA 3.24Å; Q302-F309 HydrophobicContact CB-CD1 3.93Å; Q302-F309 HydrophobicContact CB-CE1 3.61Å; Q302-F309 HydrophobicContact CB-CZ 4.33Å; Q302-F309 HydrophobicContact CG-CE1 4.06Å; Q302-F309 HydrophobicContact CG-CZ 4.28Å; F309-P317 WeakPolarHBondContact O-CA 3.25Å; F309-P317 WeakPolarHBondContact O-CB 3.48Å; F309-D318 PolarHBondContact O-N 2.92Å; F309-H321 VanDerWaalsContact O-CB 3.24Å; F309-H321 WeakPolarHBondContact O-CB 3.46Å; F309-A322 PolarHBondContact O-N 2.85Å; F309-I326 HydrophobicContact CD2-CG1 4.41Å; F309-I326 HydrophobicContact CE2-CG1 3.89Å; F309-L329 HydrophobicContact CZ-CD1 3.98Å
310A98.8Very high98.3Very high1 Ų154.2 Ų54.21%0.00828%0.279CS..  trans-99.1175.416800000110.7T270 T301 W312 S315 H316T270-A310 WeakPolarHBondContact CB-O 3.41Å; T270-A310 PolarHBondContact OG1-O 3.43Å; T270-A310 VanDerWaalsContact OG1-O 3.11Å; T301-A310 VanDerWaalsContact CB-O 3.23Å; T301-A310 WeakPolarHBondContact CB-O 3.46Å; T301-A310 PolarHBondContact O-N 3.43Å; T301-A310 PolarHBondContact OG1-O 3.03Å; A310-W312 WeakPolarHBondContact CB-O 3.49Å; A310-S315 VanDerWaalsContact CB-O 3.23Å; A310-S315 WeakPolarHBondContact CB-O 3.42Å; A310-H316 VanDerWaalsContact CB-O 3.28Å; A310-H316 WeakPolarHBondContact CB-O 3.44Å
311K98.2Very high98.3Very high61 Ų6153.1 Ų53.127%0.26527%0.269SS..SBendtrans-67.6-33.2173.366.9175.8-52.7-168.60114.5D269 T270 Y297 H321D269-K311 WeakPolarHBondContact CA-O 3.41Å; D269-K311 WeakPolarHBondContact OD2-CE 3.28Å; D269-K311 IonicContact OD2-NZ 3.47Å; T270-K311 PolarHBondContact N-O 3.39Å; T270-K311 VanDerWaalsContact N-O 3.08Å; T270-K311 PolarHBondContact OG1-O 3.36Å; Y297-K311 PolarHBondContact OH-O 3.04Å; K311-H321 WeakPolarHBondContact CB-NE2 3.34Å
312W98.5Very high98.3Very high103 Ų10352.9 Ų52.939%0.3927%0.268SS..SBendtrans-137.3157.3-173.4-64-37.8000109P267 V268 T301 A310 S315P267-W312 HydrophobicContact CG-CZ2 4.07Å; V268-W312 VanDerWaalsContact O-CD1 3.22Å; V268-W312 PolarHBondContact O-NE1 2.92Å; T301-W312 VanDerWaalsContact CG2-C 3.43Å; A310-W312 WeakPolarHBondContact CB-O 3.49Å; W312-S315 WeakPolarHBondContact O-CB 3.39Å
313P97.7Very high98.3Very high52 Ų5252.2 Ų52.234%0.33826%0.264SS..THydrogen-bonded Turntrans-56.1151169.1-22.334.3000111.3S300 T301 S315S300-P313 WeakPolarHBondContact O-CA 3.34Å; S300-P313 WeakPolarHBondContact O-CB 3.29Å; T301-P313 HydrophobicContact CG2-CG 4.18Å; P313-S315 PolarHBondContact O-N 3.45Å; P313-S315 VanDerWaalsContact O-N 3.13Å
314D95.5Very high98.3Very high178 Ų17850.6 Ų50.695%0.95226%0.255SS*.THydrogen-bonded Turntrans5431.6177.7-52.5-45.2000114.2
315S97.7Very high98.4Very high51 Ų5145.4 Ų45.436%0.35724%0.236SC..SBendtrans-120.2160.4177.4-171.90000110.9A310 W312 P313A310-S315 VanDerWaalsContact CB-O 3.23Å; A310-S315 WeakPolarHBondContact CB-O 3.42Å; W312-S315 WeakPolarHBondContact O-CB 3.39Å; P313-S315 PolarHBondContact O-N 3.45Å; P313-S315 VanDerWaalsContact O-N 3.13Å
316H98.3Very high98.4Very high161 Ų16138.8 Ų38.875%0.74520%0.201SC*.  trans-70133-179.1-64.5125.6000111.6A310A310-H316 VanDerWaalsContact CB-O 3.28Å; A310-H316 WeakPolarHBondContact CB-O 3.44Å
317P98.7Very high98.5Very high12 Ų1236.2 Ų36.28%0.07819%0.186CC..  trans-74.1155176.332.1-36.6000111.8F28 D303 V306 F309F28-P317 HydrophobicContact CE2-CB 4.12Å; F28-P317 HydrophobicContact CE2-CG 4.05Å; F28-P317 HydrophobicContact CZ-CB 4.28Å; D303-P317 HydrophobicContact CB-CB 4.22Å; D303-P317 HydrophobicContact CB-CG 3.72Å; V306-P317 HydrophobicContact CG2-CG 3.68Å; F309-P317 WeakPolarHBondContact O-CA 3.25Å; F309-P317 WeakPolarHBondContact O-CB 3.48Å
318D98.8Very high98.5Very high50 Ų5036.2 Ų36.227%0.26719%0.186SC..BIsolated β-bridgetrans-143.8166.4174.363.368.2000111F309 L320 H321 A322F309-D318 PolarHBondContact O-N 2.92Å; D318-L320 VanDerWaalsContact C-N 3.28Å; D318-L320 PolarHBondContact O-N 3.28Å; D318-L320 WeakPolarHBondContact OD1-CA 3.35Å; D318-L320 WeakPolarHBondContact OD1-CB 3.37Å; D318-L320 PolarHBondContact OD1-N 2.98Å; D318-H321 IonicContact OD1-CG 3.46Å; D318-H321 PolarHBondContact OD1-N 3.42Å; D318-H321 IonicContact OD1-ND1 3.98Å; D318-H321 PolarHBondContact OD1-ND1 3.42Å; D318-H321 IonicContact OD2-CE1 3.01Å; D318-H321 IonicContact OD2-CG 2.68Å; D318-H321 IonicContact OD2-ND1 3.64Å; D318-H321 PolarHBondContact OD2-ND1 2.78Å; D318-A322 WeakPolarHBondContact O-CB 3.46Å; D318-A322 PolarHBondContact O-N 2.84Å
319A98.8Very high98.5Very high11 Ų1136.2 Ų36.29%0.09119%0.186CC..Hα-helixtrans-60.3-36.7-17600000113.1I50 F53 Y323I50-A319 HydrophobicContact CG2-CB 4.15Å; F53-A319 HydrophobicContact CB-CB 4.08Å; F53-A319 HydrophobicContact CD2-CB 4.22Å; A319-Y323 WeakPolarHBondContact O-CB 3.38Å; A319-Y323 PolarHBondContact O-N 3.28Å
320L98.9Very high98.5Very high56 Ų5636.3 Ų36.329%0.29319%0.186SC..Hα-helixtrans-67.9-52.4-177.9-179.5153.7000110.6F53 C271 D318 Y323 F324F53-L320 HydrophobicContact CD2-CB 4.13Å; F53-L320 HydrophobicContact CE2-CB 3.68Å; F53-L320 HydrophobicContact CE2-CD1 4.08Å; F53-L320 HydrophobicContact CE2-CG 4.03Å; F53-L320 HydrophobicContact CZ-CB 4.05Å; F53-L320 HydrophobicContact CZ-CD1 3.93Å; F53-L320 HydrophobicContact CZ-CG 3.89Å; C271-L320 HydrophobicContact CB-CD2 3.98Å; D318-L320 VanDerWaalsContact C-N 3.28Å; D318-L320 PolarHBondContact O-N 3.28Å; D318-L320 WeakPolarHBondContact OD1-CA 3.35Å; D318-L320 WeakPolarHBondContact OD1-CB 3.37Å; D318-L320 PolarHBondContact OD1-N 2.98Å; L320-Y323 PolarHBondContact O-N 3.35Å; L320-F324 HydrophobicContact CD2-CD2 3.74Å; L320-F324 HydrophobicContact CD2-CE2 4.21Å; L320-F324 HydrophobicContact CG-CD2 3.81Å; L320-F324 HydrophobicContact CG-CE2 3.9Å; L320-F324 VanDerWaalsContact O-CD2 3.28Å; L320-F324 WeakPolarHBondContact O-CD2 3.35Å; L320-F324 PolarHBondContact O-N 2.91Å
321H98.9Very high98.5Very high21 Ų2136.5 Ų36.510%0.09719%0.187CC..Hα-helixtrans-71.2-33.3-179.6-65.593.8000111.5D269 F309 K311 D318 G325D269-H321 IonicContact OD1-CD2 3.55Å; D269-H321 PolarHBondContact OD1-CD2 2.94Å; D269-H321 VanDerWaalsContact OD1-CD2 3.27Å; D269-H321 IonicContact OD1-NE2 3.54Å; D269-H321 PolarHBondContact OD1-NE2 3.39Å; D269-H321 VanDerWaalsContact OD1-NE2 3.13Å; D269-H321 IonicContact OD2-NE2 2.72Å; F309-H321 VanDerWaalsContact O-CB 3.24Å; F309-H321 WeakPolarHBondContact O-CB 3.46Å; K311-H321 WeakPolarHBondContact CB-NE2 3.34Å; D318-H321 IonicContact OD1-CG 3.46Å; D318-H321 PolarHBondContact OD1-N 3.42Å; D318-H321 IonicContact OD1-ND1 3.98Å; D318-H321 PolarHBondContact OD1-ND1 3.42Å; D318-H321 IonicContact OD2-CE1 3.01Å; D318-H321 IonicContact OD2-CG 2.68Å; D318-H321 IonicContact OD2-ND1 3.64Å; D318-H321 PolarHBondContact OD2-ND1 2.78Å; H321-G325 WeakPolarHBondContact O-CA 3.44Å; H321-G325 PolarHBondContact O-N 3.34Å
322A98.9Very high98.6Very high0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-58.1-49.517200000111.7F28 F29 F309 D318 I326F28-A322 HydrophobicContact CD1-CB 3.9Å; F28-A322 HydrophobicContact CE1-CB 3.53Å; F28-A322 HydrophobicContact CZ-CB 4.36Å; F29-A322 HydrophobicContact CE1-CB 3.76Å; F29-A322 HydrophobicContact CZ-CB 3.87Å; F309-A322 PolarHBondContact O-N 2.85Å; D318-A322 WeakPolarHBondContact O-CB 3.46Å; D318-A322 PolarHBondContact O-N 2.84Å; A322-I326 WeakPolarHBondContact O-CD1 3.24Å; A322-I326 WeakPolarHBondContact O-CG1 3.46Å; A322-I326 PolarHBondContact O-N 3.12Å
323Y98.9Very high98.6Very high0 Ų036.3 Ų36.30%019%0.192CC..Hα-helixtrans-63.9-53178175.5-109.3000111.9F52 F53 S56 M60 A319 L320 G325 I326 C327 N345F52-Y323 HydrophobicContact CE1-CD1 4.5Å; F52-Y323 AromaticContact CE1-CE1 3.94Å; F52-Y323 HydrophobicContact CE1-CE1 3.94Å; F52-Y323 HydrophobicContact CZ-CE1 4.14Å; F53-Y323 HydrophobicContact CB-CG 4.39Å; F53-Y323 AromaticContact CD1-CD1 3.52Å; F53-Y323 HydrophobicContact CD1-CD1 3.52Å; F53-Y323 HydrophobicContact CD1-CE1 4.26Å; F53-Y323 AromaticContact CD1-CG 3.88Å; F53-Y323 HydrophobicContact CD1-CG 3.88Å; F53-Y323 HydrophobicContact CE1-CD1 4.01Å; S56-Y323 WeakPolarHBondContact OG-CE2 3.35Å; S56-Y323 PolarHBondContact OG-OH 2.67Å; M60-Y323 HydrophobicContact CG-CE2 4.34Å; A319-Y323 WeakPolarHBondContact O-CB 3.38Å; A319-Y323 PolarHBondContact O-N 3.28Å; L320-Y323 PolarHBondContact O-N 3.35Å; Y323-G325 VanDerWaalsContact C-N 3.34Å; Y323-G325 PolarHBondContact O-N 3.39Å; Y323-I326 WeakPolarHBondContact O-CB 3.37Å; Y323-I326 PolarHBondContact O-N 2.91Å; Y323-C327 WeakPolarHBondContact CE2-SG 3.39Å; Y323-C327 PolarHBondContact O-N 2.66Å; Y323-C327 PolarHBondContact O-SG 2.93Å; Y323-C327 VanDerWaalsContact O-SG 3.4Å; Y323-N345 VanDerWaalsContact CE1-OD1 3.3Å; Y323-N345 WeakPolarHBondContact CE1-OD1 3.5Å; Y323-N345 PolarHBondContact OH-O 3.37Å; Y323-N345 PolarHBondContact OH-OD1 3.33Å
324F98.9Very high98.6Very high4 Ų435 Ų352%0.01818%0.181CC..Hα-helixtrans-72.7-24.1-176.2-71.5-54.3000114.2F53 C271 F274 W275 L320 G328F53-F324 AromaticContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CZ 4.02Å; F53-F324 HydrophobicContact CZ-CE2 4.16Å; C271-F324 HydrophobicContact CB-CB 4.03Å; C271-F324 HydrophobicContact CB-CD2 4.24Å; C271-F324 HydrophobicContact CB-CG 4.46Å; F274-F324 HydrophobicContact CB-CB 4.08Å; F274-F324 HydrophobicContact CB-CD1 3.74Å; F274-F324 HydrophobicContact CB-CG 4.29Å; F274-F324 AromaticContact CD1-CD1 3.24Å; F274-F324 HydrophobicContact CD1-CD1 3.24Å; F274-F324 AromaticContact CD1-CE1 3.3Å; F274-F324 HydrophobicContact CD1-CE1 3.3Å; F274-F324 HydrophobicContact CD1-CG 4.35Å; F274-F324 HydrophobicContact CD1-CZ 4.44Å; F274-F324 AromaticContact CE1-CD1 3.95Å; F274-F324 HydrophobicContact CE1-CD1 3.95Å; F274-F324 AromaticContact CE1-CE1 3.56Å; F274-F324 HydrophobicContact CE1-CE1 3.56Å; F274-F324 AromaticContact CG-CD1 3.57Å; F274-F324 HydrophobicContact CG-CD1 3.57Å; F274-F324 HydrophobicContact CG-CE1 4.08Å; F274-F324 HydrophobicContact CZ-CE1 4.5Å; W275-F324 AromaticContact CE2-CE2 3.93Å; W275-F324 AromaticContact CE2-CZ 3.97Å; W275-F324 HydrophobicContact CH2-CE1 4.38Å; W275-F324 HydrophobicContact CH2-CE2 4.19Å; W275-F324 AromaticContact CH2-CZ 3.67Å; W275-F324 HydrophobicContact CH2-CZ 3.67Å; W275-F324 HydrophobicContact CZ2-CD2 4.29Å; W275-F324 HydrophobicContact CZ2-CE1 4.17Å; W275-F324 AromaticContact CZ2-CE2 3.43Å; W275-F324 HydrophobicContact CZ2-CE2 3.43Å; W275-F324 VanDerWaalsContact CZ2-CE2 3.43Å; W275-F324 AromaticContact CZ2-CZ 3.36Å; W275-F324 HydrophobicContact CZ2-CZ 3.36Å; W275-F324 HydrophobicContact CZ3-CZ 4.49Å; L320-F324 HydrophobicContact CD2-CD2 3.74Å; L320-F324 HydrophobicContact CD2-CE2 4.21Å; L320-F324 HydrophobicContact CG-CD2 3.81Å; L320-F324 HydrophobicContact CG-CE2 3.9Å; L320-F324 VanDerWaalsContact O-CD2 3.28Å; L320-F324 WeakPolarHBondContact O-CD2 3.35Å; L320-F324 PolarHBondContact O-N 2.91Å; F324-G328 PolarHBondContact O-N 2.78Å
325G98.9Very high98.8Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-63-47.2167.900000111.3H321 Y323 G328 L329H321-G325 WeakPolarHBondContact O-CA 3.44Å; H321-G325 PolarHBondContact O-N 3.34Å; Y323-G325 VanDerWaalsContact C-N 3.34Å; Y323-G325 PolarHBondContact O-N 3.39Å; G325-G328 PolarHBondContact O-N 2.81Å; G325-L329 WeakPolarHBondContact O-CG 3.34Å; G325-L329 PolarHBondContact O-N 3.49Å
326I98.9Very high98.8Very high0 Ų031.3 Ų31.30%018%0.176CC..Hα-helixtrans-62.3-45.2175.1-73.1167.2000111.4F20 H25 F29 M60 L61 F309 A322 Y323 G328 L329 S330 I337F20-I326 HydrophobicContact CE2-CG1 4.22Å; F20-I326 HydrophobicContact CZ-CG1 4.23Å; H25-I326 HydrophobicContact CB-CD1 4.14Å; F29-I326 HydrophobicContact CE2-CD1 3.44Å; F29-I326 VanDerWaalsContact CE2-CD1 3.44Å; F29-I326 HydrophobicContact CZ-CD1 3.75Å; M60-I326 HydrophobicContact CB-CG2 3.96Å; L61-I326 HydrophobicContact CD1-CD1 3.85Å; L61-I326 HydrophobicContact CD2-CD1 4.2Å; L61-I326 HydrophobicContact CD2-CG2 4.18Å; L61-I326 HydrophobicContact CG-CD1 4.19Å; F309-I326 HydrophobicContact CD2-CG1 4.41Å; F309-I326 HydrophobicContact CE2-CG1 3.89Å; A322-I326 WeakPolarHBondContact O-CD1 3.24Å; A322-I326 WeakPolarHBondContact O-CG1 3.46Å; A322-I326 PolarHBondContact O-N 3.12Å; Y323-I326 WeakPolarHBondContact O-CB 3.37Å; Y323-I326 PolarHBondContact O-N 2.91Å; I326-G328 VanDerWaalsContact C-N 3.29Å; I326-G328 PolarHBondContact O-N 3.21Å; I326-L329 PolarHBondContact O-N 3.27Å; I326-S330 WeakPolarHBondContact O-CB 3.49Å; I326-S330 PolarHBondContact O-N 2.79Å; I326-I337 HydrophobicContact CG2-CD1 4.24Å; I326-I337 HydrophobicContact CG2-CG2 3.7Å
327C98.9Very high98.8Very high0 Ų024.6 Ų24.60%015%0.145CC..Hα-helixtrans-65.6-33.2176-62.80000112.3F274 Y323 S330 L331 V340F274-C327 HydrophobicContact CB-CB 4.24Å; F274-C327 HydrophobicContact CD2-CB 3.38Å; F274-C327 HydrophobicContact CE2-CB 3.93Å; F274-C327 HydrophobicContact CG-CB 3.97Å; Y323-C327 WeakPolarHBondContact CE2-SG 3.39Å; Y323-C327 PolarHBondContact O-N 2.66Å; Y323-C327 PolarHBondContact O-SG 2.93Å; Y323-C327 VanDerWaalsContact O-SG 3.4Å; C327-S330 WeakPolarHBondContact O-CB 3.44Å; C327-S330 PolarHBondContact O-N 3.36Å; C327-L331 WeakPolarHBondContact O-CG 3.44Å; C327-L331 PolarHBondContact O-N 3.39Å; C327-L331 VanDerWaalsContact O-N 3.15Å; C327-V340 HydrophobicContact CB-CG2 4.44Å
328G98.9Very high98.8Very high0 Ų025.6 Ų25.60%015%0.153CC..Hα-helixtrans-62.5-43.8172.100000112.4F324 G325 I326 L331F324-G328 PolarHBondContact O-N 2.78Å; G325-G328 PolarHBondContact O-N 2.81Å; I326-G328 VanDerWaalsContact C-N 3.29Å; I326-G328 PolarHBondContact O-N 3.21Å; G328-L331 PolarHBondContact O-N 3.13Å
329L98.9Very high98.8Very high0 Ų028.3 Ų28.30%016%0.162CC..Hα-helixtrans-64.7-40.4172.9-71170.9000111.9F20 R295 I298 L299 F309 G325 I326 L331 M332 E333 E334 I337F20-L329 HydrophobicContact CD2-CD1 3.83Å; F20-L329 HydrophobicContact CE2-CD1 4.04Å; R295-L329 HydrophobicContact CG-CD2 3.85Å; I298-L329 HydrophobicContact CB-CD2 4.34Å; I298-L329 HydrophobicContact CB-CG 4.49Å; I298-L329 HydrophobicContact CD1-CD2 4.15Å; I298-L329 HydrophobicContact CD1-CG 4.19Å; I298-L329 HydrophobicContact CG2-CD1 4.07Å; I298-L329 HydrophobicContact CG2-CD2 4.23Å; I298-L329 HydrophobicContact CG2-CG 3.89Å; L299-L329 HydrophobicContact CD2-CD1 4Å; L299-L329 HydrophobicContact CD2-CD2 4.45Å; L299-L329 HydrophobicContact CG-CD2 4.47Å; F309-L329 HydrophobicContact CZ-CD1 3.98Å; G325-L329 WeakPolarHBondContact O-CG 3.34Å; G325-L329 PolarHBondContact O-N 3.49Å; I326-L329 PolarHBondContact O-N 3.27Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 PolarHBondContact O-N 3.26Å; L329-M332 HydrophobicContact CD2-CE 4.11Å; L329-M332 CarbonylContact O-C 3.07Å; L329-M332 WeakPolarHBondContact O-CA 3.24Å; L329-M332 PolarHBondContact O-N 2.91Å; L329-E333 PolarHBondContact O-N 3.16Å; L329-E334 HydrophobicContact CB-CB 3.81Å; L329-E334 HydrophobicContact CB-CG 4.2Å; L329-E334 HydrophobicContact CD1-CG 4.5Å; L329-E334 HydrophobicContact CD2-CG 4.47Å; L329-E334 PolarHBondContact O-N 2.92Å; L329-I337 HydrophobicContact CB-CD1 3.68Å; L329-I337 HydrophobicContact CD1-CD1 4.02Å
330S98.9Very high98.8Very high2 Ų228 Ų281%0.01416%0.159CC..Hα-helixtrans-57.3-37.8176.3176.90000113.2M60 I326 C327 M332 E333 C338 K339 V340M60-S330 VanDerWaalsContact CE-OG 3.31Å; M60-S330 WeakPolarHBondContact CE-OG 3.47Å; I326-S330 WeakPolarHBondContact O-CB 3.49Å; I326-S330 PolarHBondContact O-N 2.79Å; C327-S330 WeakPolarHBondContact O-CB 3.44Å; C327-S330 PolarHBondContact O-N 3.36Å; S330-M332 PolarHBondContact O-N 3.09Å; S330-E333 PolarHBondContact O-N 3.36Å; S330-C338 WeakPolarHBondContact CB-O 3.33Å; S330-C338 PolarHBondContact OG-O 3.35Å; S330-K339 WeakPolarHBondContact OG-CA 3.43Å; S330-V340 PolarHBondContact OG-N 3.25Å
331L98.9Very high98.8Very high5 Ų527.4 Ų27.43%0.02616%0.155CC..THydrogen-bonded Turntrans-61.5-24.9177.3-69.8171.8000113.2F274 G277 A278 K281 F286 C327 G328 L329 V340 P342F274-L331 HydrophobicContact CD2-CD1 4.44Å; G277-L331 VanDerWaalsContact C-CD1 3.43Å; A278-L331 HydrophobicContact CB-CD1 4.27Å; A278-L331 VanDerWaalsContact N-CD1 3.32Å; K281-L331 HydrophobicContact CB-CD2 4.07Å; K281-L331 HydrophobicContact CD-CD2 4.38Å; K281-L331 HydrophobicContact CG-CD2 4.04Å; F286-L331 HydrophobicContact CD1-CB 4.29Å; F286-L331 HydrophobicContact CE1-CB 3.63Å; F286-L331 VanDerWaalsContact CE1-O 3.31Å; F286-L331 WeakPolarHBondContact CE1-O 3.44Å; F286-L331 HydrophobicContact CZ-CB 3.84Å; C327-L331 WeakPolarHBondContact O-CG 3.44Å; C327-L331 PolarHBondContact O-N 3.39Å; C327-L331 VanDerWaalsContact O-N 3.15Å; G328-L331 PolarHBondContact O-N 3.13Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 PolarHBondContact O-N 3.26Å; L331-V340 HydrophobicContact CD2-CG1 3.85Å; L331-V340 HydrophobicContact CG-CG1 4.14Å; L331-P342 HydrophobicContact CD2-CB 4.49Å
332M98.8Very high98.8Very high24 Ų2427.6 Ų27.612%0.11816%0.158CC..THydrogen-bonded Turntrans-100.47.6177.1-59.2179.4-65.100113F286 F291 N294 R295 I298 L329 S330 E334F286-M332 HydrophobicContact CE1-CG 3.73Å; F286-M332 HydrophobicContact CZ-CG 3.66Å; F286-M332 HydrophobicContact CZ-SD 4.42Å; F291-M332 HydrophobicContact CB-CG 4.32Å; F291-M332 HydrophobicContact CB-SD 3.79Å; F291-M332 HydrophobicContact CD1-CG 3.88Å; F291-M332 HydrophobicContact CD1-SD 4.03Å; F291-M332 HydrophobicContact CD2-CB 3.98Å; F291-M332 HydrophobicContact CD2-CG 3.92Å; F291-M332 HydrophobicContact CD2-SD 4.49Å; F291-M332 HydrophobicContact CE1-CG 4.09Å; F291-M332 HydrophobicContact CE2-CB 4.18Å; F291-M332 HydrophobicContact CE2-CG 4.14Å; F291-M332 HydrophobicContact CG-CB 4.31Å; F291-M332 HydrophobicContact CG-CG 3.79Å; F291-M332 HydrophobicContact CG-SD 3.87Å; F291-M332 HydrophobicContact CZ-CG 4.23Å; N294-M332 HydrophobicContact CB-CE 4.41Å; N294-M332 HydrophobicContact CB-SD 4.02Å; N294-M332 WeakPolarHBondContact ND2-CE 3.49Å; N294-M332 PolarHBondContact ND2-SD 3.38Å; N294-M332 VanDerWaalsContact ND2-SD 3.43Å; R295-M332 HydrophobicContact CB-CE 3.83Å; R295-M332 HydrophobicContact CB-SD 4.41Å; R295-M332 HydrophobicContact CG-CE 4.49Å; I298-M332 HydrophobicContact CD1-CE 3.98Å; L329-M332 HydrophobicContact CD2-CE 4.11Å; L329-M332 CarbonylContact O-C 3.07Å; L329-M332 WeakPolarHBondContact O-CA 3.24Å; L329-M332 PolarHBondContact O-N 2.91Å; S330-M332 PolarHBondContact O-N 3.09Å; M332-E334 PolarHBondContact O-N 3.34Å
333E98.7Very high98.8Very high135 Ų13527.8 Ų27.863%0.63116%0.159SC*.THydrogen-bonded Turntrans62.540.2175.3-54.5179.5179.300113.4L329 S330 S335L329-E333 PolarHBondContact O-N 3.16Å; S330-E333 PolarHBondContact O-N 3.36Å; E333-S335 PolarHBondContact O-N 3.39Å
334E98.7Very high98.8Very high26 Ų2627.9 Ų27.912%0.12116%0.159CC..  trans-52.8135.1172.5-174.668.4-146.800111.9F20 R295 L329 M332 G336 I337F20-E334 HydrophobicContact CD1-CG 4.47Å; F20-E334 HydrophobicContact CG-CG 4.5Å; R295-E334 WeakPolarHBondContact CD-OE2 3.28Å; R295-E334 IonicContact CZ-OE1 2.66Å; R295-E334 IonicContact CZ-OE2 2.98Å; R295-E334 IonicContact NE-OE1 2.9Å; R295-E334 IonicContact NE-OE2 3.73Å; R295-E334 PolarHBondContact NE-OE2 3.25Å; R295-E334 IonicContact NH2-OE1 3.5Å; R295-E334 PolarHBondContact NH2-OE1 3.34Å; R295-E334 IonicContact NH2-OE2 2.75Å; R295-E334 PolarHBondContact NH2-OE2 2.9Å; L329-E334 HydrophobicContact CB-CB 3.81Å; L329-E334 HydrophobicContact CB-CG 4.2Å; L329-E334 HydrophobicContact CD1-CG 4.5Å; L329-E334 HydrophobicContact CD2-CG 4.47Å; L329-E334 PolarHBondContact O-N 2.92Å; M332-E334 PolarHBondContact O-N 3.34Å; E334-G336 PolarHBondContact O-N 2.82Å; E334-I337 HydrophobicContact CB-CD1 3.85Å; E334-I337 HydrophobicContact CB-CG1 4.23Å; E334-I337 HydrophobicContact CG-CD1 3.78Å; E334-I337 HydrophobicContact CG-CG1 4.21Å; E334-I337 PolarHBondContact O-N 3.29Å
335S98.3Very high98.8Very high107 Ų10727.9 Ų27.975%0.74816%0.16SC*.THydrogen-bonded Turntrans-60.9134.6-179.6-167.60000111.8E333 I337E333-S335 PolarHBondContact O-N 3.39Å; S335-I337 VanDerWaalsContact C-N 3.31Å; S335-I337 PolarHBondContact O-N 3.06Å
336G97.8Very high98.8Very high44 Ų4428 Ų2845%0.45416%0.16SC..THydrogen-bonded Turntrans79.57.3179.900000115.1E334E334-G336 PolarHBondContact O-N 2.82Å
337I98.9Very high98.8Very high19 Ų1928 Ų2810%0.09716%0.16CC..  trans-116.1130.4172.3-49.4-175.7000108.7F20 M60 L61 I326 L329 E334 S335F20-I337 HydrophobicContact CD1-CD1 4.12Å; F20-I337 HydrophobicContact CD1-CG1 4.21Å; F20-I337 HydrophobicContact CE1-CD1 3.62Å; F20-I337 HydrophobicContact CE1-CG1 3.58Å; F20-I337 HydrophobicContact CE2-CD1 4.09Å; F20-I337 HydrophobicContact CZ-CD1 3.61Å; F20-I337 HydrophobicContact CZ-CG1 3.98Å; M60-I337 HydrophobicContact CE-CG2 3.9Å; M60-I337 CarbonylContact O-C 3.54Å; M60-I337 WeakPolarHBondContact O-CA 3.44Å; M60-I337 WeakPolarHBondContact O-CG2 3.32Å; L61-I337 HydrophobicContact CD2-CG1 4.03Å; I326-I337 HydrophobicContact CG2-CD1 4.24Å; I326-I337 HydrophobicContact CG2-CG2 3.7Å; L329-I337 HydrophobicContact CB-CD1 3.68Å; L329-I337 HydrophobicContact CD1-CD1 4.02Å; E334-I337 HydrophobicContact CB-CD1 3.85Å; E334-I337 HydrophobicContact CB-CG1 4.23Å; E334-I337 HydrophobicContact CG-CD1 3.78Å; E334-I337 HydrophobicContact CG-CG1 4.21Å; E334-I337 PolarHBondContact O-N 3.29Å; S335-I337 VanDerWaalsContact C-N 3.31Å; S335-I337 PolarHBondContact O-N 3.06Å
338C98.8Very high98.8Very high34 Ų3429.9 Ų29.923%0.2317%0.172CC..PPolyproline II helixtrans-61164.6173.8-60.80000111.1M60 S330 R349M60-C338 HydrophobicContact CE-CB 4.16Å; M60-C338 WeakPolarHBondContact CE-O 3.2Å; M60-C338 PolarHBondContact O-N 3.09Å; S330-C338 WeakPolarHBondContact CB-O 3.33Å; S330-C338 PolarHBondContact OG-O 3.35Å; C338-R349 PolarHBondContact SG-NH2 3.26Å; C338-R349 VanDerWaalsContact SG-NH2 3.42Å
339K98.9Very high98.8Very high107 Ų10734.5 Ų34.547%0.46519%0.19SC..PPolyproline II helixtrans-78.1132.5171.8-168.6171.4-177.5167.80110.2S330 S347 T348S330-K339 WeakPolarHBondContact OG-CA 3.43Å; K339-S347 CarbonylContact O-C 3.6Å; K339-S347 WeakPolarHBondContact O-CA 3.31Å; K339-T348 HydrophobicContact CB-CG2 3.98Å; K339-T348 HydrophobicContact CD-CG2 4.25Å; K339-T348 HydrophobicContact CG-CG2 3.93Å; K339-T348 WeakPolarHBondContact O-CG2 3.49Å; K339-T348 PolarHBondContact O-N 2.91Å; K339-T348 PolarHBondContact O-OG1 2.86Å
340V98.9Very high98.8Very high4 Ų434.9 Ų34.92%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-86.6139.1174.668.50000110.4M60 F274 C327 S330 L331 P342 V346M60-V340 HydrophobicContact CE-CB 3.86Å; M60-V340 HydrophobicContact SD-CB 4.04Å; M60-V340 HydrophobicContact SD-CG2 4.26Å; F274-V340 HydrophobicContact CE2-CG1 4.26Å; F274-V340 HydrophobicContact CE2-CG2 4.03Å; C327-V340 HydrophobicContact CB-CG2 4.44Å; S330-V340 PolarHBondContact OG-N 3.25Å; L331-V340 HydrophobicContact CD2-CG1 3.85Å; L331-V340 HydrophobicContact CG-CG1 4.14Å; V340-P342 WeakPolarHBondContact O-CD 3.47Å; V340-V346 WeakPolarHBondContact CG2-O 3.35Å
341H98.9Very high98.8Very high44 Ų4435.8 Ų35.820%0.20420%0.198CC..EExtended strand (participates in β ladder)trans-77.7110.7167-177.2-62.7000109.1A343 L344 N345 V346 T348H341-A343 VanDerWaalsContact C-N 3.35Å; H341-A343 PolarHBondContact ND1-N 3.44Å; H341-A343 PolarHBondContact O-N 2.99Å; H341-L344 WeakPolarHBondContact ND1-CB 3.48Å; H341-L344 PolarHBondContact ND1-N 2.66Å; H341-N345 PolarHBondContact O-N 3.09Å; H341-V346 HydrophobicContact CB-CG2 4.5Å; H341-V346 WeakPolarHBondContact CB-O 3.17Å; H341-V346 PolarHBondContact N-O 3.36Å; H341-T348 HydrophobicContact CB-CG2 4.47Å
342P98.7Very high98.8Very high25 Ų2539.8 Ų39.816%0.16222%0.217CC..THydrogen-bonded Turntrans-69.8-24.2-163.426.9-35.7000114.9F224 A278 K281 L282 L331 V340F224-P342 VanDerWaalsContact CE2-O 3.31Å; F224-P342 WeakPolarHBondContact CE2-O 3.37Å; A278-P342 HydrophobicContact CB-CB 4.03Å; K281-P342 HydrophobicContact CB-CB 4.19Å; K281-P342 HydrophobicContact CB-CG 4.48Å; K281-P342 HydrophobicContact CG-CB 4.23Å; K281-P342 HydrophobicContact CG-CG 4.1Å; L282-P342 HydrophobicContact CD2-CB 4.15Å; L282-P342 HydrophobicContact CD2-CG 3.78Å; L282-P342 HydrophobicContact CG-CB 4.17Å; L282-P342 HydrophobicContact CG-CG 4.28Å; L331-P342 HydrophobicContact CD2-CB 4.49Å; V340-P342 WeakPolarHBondContact O-CD 3.47Å
343A98.9Very high98.7Very high3 Ų341.6 Ų41.63%0.02522%0.222CC..THydrogen-bonded Turntrans-88.5-49.4177.100000112.8Y176 A228 C231 L232 L282 H341 N345Y176-A343 WeakPolarHBondContact CE2-O 3.28Å; Y176-A343 PolarHBondContact OH-O 3.4Å; A228-A343 HydrophobicContact CB-CB 4.34Å; C231-A343 HydrophobicContact CB-CB 4.14Å; L232-A343 HydrophobicContact CD2-CB 4.09Å; L232-A343 HydrophobicContact CG-CB 4.12Å; L282-A343 HydrophobicContact CD1-CB 4.13Å; L282-A343 HydrophobicContact CD2-CB 3.75Å; H341-A343 VanDerWaalsContact C-N 3.35Å; H341-A343 PolarHBondContact ND1-N 3.44Å; H341-A343 PolarHBondContact O-N 2.99Å; A343-N345 VanDerWaalsContact C-N 3.34Å; A343-N345 PolarHBondContact O-N 3.11Å
344L98.8Very high98.7Very high2 Ų235.3 Ų35.31%0.0119%0.193CC..THydrogen-bonded Turntrans-76.4-14-177.7-164.661.3000115Y183 M184 L232 H341 V346 L354Y183-L344 HydrophobicContact CD1-CD1 3.65Å; Y183-L344 HydrophobicContact CD1-CD2 4.16Å; Y183-L344 HydrophobicContact CE1-CD1 4.16Å; Y183-L344 HydrophobicContact CE1-CD2 3.9Å; Y183-L344 HydrophobicContact CG-CD1 4.43Å; M184-L344 HydrophobicContact CG-CD1 4.1Å; L232-L344 HydrophobicContact CD2-CB 4.27Å; L232-L344 HydrophobicContact CD2-CD1 4.05Å; H341-L344 WeakPolarHBondContact ND1-CB 3.48Å; H341-L344 PolarHBondContact ND1-N 2.66Å; L344-V346 HydrophobicContact CB-CG2 4.15Å; L344-V346 HydrophobicContact CD2-CG2 3.76Å; L344-V346 HydrophobicContact CG-CG2 3.89Å; L344-V346 PolarHBondContact O-N 3.43Å; L344-L354 HydrophobicContact CD2-CD2 3.66Å
345N98.9Very high98.7Very high4 Ų440 Ų402%0.02121%0.209CC..THydrogen-bonded Turntrans5946.4176.9-176.235.6000113.3F52 Y126 Y176 F274 Y323 H341 A343F52-N345 WeakPolarHBondContact CZ-ND2 3.5Å; F52-N345 WeakPolarHBondContact CZ-O 3.24Å; Y126-N345 PolarHBondContact OH-ND2 3.5Å; Y176-N345 WeakPolarHBondContact OH-CB 3.2Å; F274-N345 HydrophobicContact CE1-CB 4.46Å; F274-N345 HydrophobicContact CZ-CB 4.07Å; F274-N345 WeakPolarHBondContact CZ-OD1 3.23Å; Y323-N345 VanDerWaalsContact CE1-OD1 3.3Å; Y323-N345 WeakPolarHBondContact CE1-OD1 3.5Å; Y323-N345 PolarHBondContact OH-O 3.37Å; Y323-N345 PolarHBondContact OH-OD1 3.33Å; H341-N345 PolarHBondContact O-N 3.09Å; A343-N345 VanDerWaalsContact C-N 3.34Å; A343-N345 PolarHBondContact O-N 3.11Å
346V98.9Very high98.7Very high3 Ų338.8 Ų38.82%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-140.8169.2173.5-65.30000108.7S130 I134 V340 H341 L344 T350S130-V346 WeakPolarHBondContact OG-CG1 3.38Å; I134-V346 HydrophobicContact CD1-CG1 4.25Å; I134-V346 HydrophobicContact CG1-CG1 4.42Å; V340-V346 WeakPolarHBondContact CG2-O 3.35Å; H341-V346 HydrophobicContact CB-CG2 4.5Å; H341-V346 WeakPolarHBondContact CB-O 3.17Å; H341-V346 PolarHBondContact N-O 3.36Å; L344-V346 HydrophobicContact CB-CG2 4.15Å; L344-V346 HydrophobicContact CD2-CG2 3.76Å; L344-V346 HydrophobicContact CG-CG2 3.89Å; L344-V346 PolarHBondContact O-N 3.43Å; V346-T350 HydrophobicContact CB-CG2 3.81Å; V346-T350 HydrophobicContact CG1-CG2 4.13Å; V346-T350 HydrophobicContact CG2-CG2 3.94Å
347S98.9Very high98.8Very high0 Ų037.5 Ų37.50%018%0.177CC..EExtended strand (participates in β ladder)trans-61153.617174.60000111.6D59 M60 K339 R349 T350 S351D59-S347 VanDerWaalsContact CG-OG 3.29Å; D59-S347 PolarHBondContact OD1-OG 3.48Å; D59-S347 WeakPolarHBondContact OD2-CB 3.4Å; D59-S347 PolarHBondContact OD2-OG 2.79Å; M60-S347 VanDerWaalsContact SD-CA 3.53Å; M60-S347 VanDerWaalsContact SD-CB 3.55Å; K339-S347 CarbonylContact O-C 3.6Å; K339-S347 WeakPolarHBondContact O-CA 3.31Å; S347-R349 PolarHBondContact O-N 3.14Å; S347-T350 PolarHBondContact O-N 3.35Å; S347-T350 VanDerWaalsContact O-N 3.15Å; S347-T350 WeakPolarHBondContact OG-CB 3.43Å; S347-T350 PolarHBondContact OG-N 3.42Å; S347-T350 PolarHBondContact OG-OG1 3.48Å; S347-S351 PolarHBondContact O-N 3.44Å
348T98.9Very high98.7Very high40 Ų4037.6 Ų37.625%0.24518%0.177CC..Hα-helixtrans-60.3-36174.651.70000111.4K339 H341 T350 S351 E352K339-T348 HydrophobicContact CB-CG2 3.98Å; K339-T348 HydrophobicContact CD-CG2 4.25Å; K339-T348 HydrophobicContact CG-CG2 3.93Å; K339-T348 WeakPolarHBondContact O-CG2 3.49Å; K339-T348 PolarHBondContact O-N 2.91Å; K339-T348 PolarHBondContact O-OG1 2.86Å; H341-T348 HydrophobicContact CB-CG2 4.47Å; T348-T350 PolarHBondContact O-N 2.99Å; T348-S351 WeakPolarHBondContact CA-OG 3.25Å; T348-S351 CarbonylContact O-C 3.33Å; T348-S351 PolarHBondContact O-N 3.14Å; T348-S351 VanDerWaalsContact O-N 3.13Å; T348-S351 PolarHBondContact O-OG 2.97Å; T348-E352 VanDerWaalsContact O-CG 3.3Å; T348-E352 WeakPolarHBondContact O-CG 3.46Å; T348-E352 PolarHBondContact O-N 3.03Å
349R98.8Very high98.6Very high97 Ų9741.4 Ų41.437%0.36619%0.192SC..Hα-helixtrans-53.5-49.6171.8-175.8-137.5-40.8-121-0.6111.8D59 D62 C338 S347 S351 E352 R353D59-R349 PolarHBondContact O-NH2 3.45Å; D59-R349 IonicContact OD1-CZ 2.75Å; D59-R349 VanDerWaalsContact OD1-CZ 3.25Å; D59-R349 IonicContact OD1-NE 3.48Å; D59-R349 PolarHBondContact OD1-NE 3.35Å; D59-R349 IonicContact OD1-NH2 2.97Å; D59-R349 PolarHBondContact OD1-NH2 3.42Å; D62-R349 IonicContact OD1-CZ 3.58Å; D62-R349 VanDerWaalsContact OD1-CZ 3.24Å; D62-R349 IonicContact OD1-NH1 3.76Å; D62-R349 PolarHBondContact OD1-NH1 3.32Å; D62-R349 IonicContact OD1-NH2 3.47Å; D62-R349 PolarHBondContact OD1-NH2 3.19Å; C338-R349 PolarHBondContact SG-NH2 3.26Å; C338-R349 VanDerWaalsContact SG-NH2 3.42Å; S347-R349 PolarHBondContact O-N 3.14Å; R349-S351 PolarHBondContact O-N 2.95Å; R349-E352 WeakPolarHBondContact O-CB 3.17Å; R349-E352 PolarHBondContact O-N 3.34Å; R349-R353 PolarHBondContact O-N 2.87Å
350T98.9Very high98.5Very high7 Ų738.4 Ų38.44%0.04318%0.184CC..Hα-helixtrans-64.5-39.4176.8-70.50000111.6D59 I133 I134 V346 S347 T348 E352 R353 L354D59-T350 PolarHBondContact OD2-OG1 3.42Å; I133-T350 HydrophobicContact CB-CG2 4.38Å; I133-T350 HydrophobicContact CG2-CG2 3.71Å; I134-T350 HydrophobicContact CB-CG2 4.48Å; I134-T350 HydrophobicContact CG1-CG2 3.66Å; V346-T350 HydrophobicContact CB-CG2 3.81Å; V346-T350 HydrophobicContact CG1-CG2 4.13Å; V346-T350 HydrophobicContact CG2-CG2 3.94Å; S347-T350 PolarHBondContact O-N 3.35Å; S347-T350 VanDerWaalsContact O-N 3.15Å; S347-T350 WeakPolarHBondContact OG-CB 3.43Å; S347-T350 PolarHBondContact OG-N 3.42Å; S347-T350 PolarHBondContact OG-OG1 3.48Å; T348-T350 PolarHBondContact O-N 2.99Å; T350-E352 VanDerWaalsContact C-N 3.35Å; T350-E352 PolarHBondContact O-N 2.7Å; T350-R353 PolarHBondContact O-N 3.17Å; T350-L354 PolarHBondContact O-N 3.29Å
351S98.8Very high98.3Very high21 Ų2139.7 Ų39.715%0.14719%0.188CC..Hα-helixtrans-67.8-32175.672.50000113.6S347 T348 R349 L354 R355S347-S351 PolarHBondContact O-N 3.44Å; T348-S351 WeakPolarHBondContact CA-OG 3.25Å; T348-S351 CarbonylContact O-C 3.33Å; T348-S351 PolarHBondContact O-N 3.14Å; T348-S351 VanDerWaalsContact O-N 3.13Å; T348-S351 PolarHBondContact O-OG 2.97Å; R349-S351 PolarHBondContact O-N 2.95Å; S351-L354 PolarHBondContact O-N 3.28Å; S351-R355 PolarHBondContact O-N 2.85Å
352E98.8Very high97.7Very high90 Ų9044 Ų4442%0.42121%0.207SC..Hα-helixtrans-67.1-45.6173.7-73.5163.6-174.500110.6T348 R349 T350 L354 R355 D356T348-E352 VanDerWaalsContact O-CG 3.3Å; T348-E352 WeakPolarHBondContact O-CG 3.46Å; T348-E352 PolarHBondContact O-N 3.03Å; R349-E352 WeakPolarHBondContact O-CB 3.17Å; R349-E352 PolarHBondContact O-N 3.34Å; T350-E352 VanDerWaalsContact C-N 3.35Å; T350-E352 PolarHBondContact O-N 2.7Å; E352-L354 VanDerWaalsContact C-N 3.29Å; E352-L354 PolarHBondContact O-N 3.14Å; E352-R355 WeakPolarHBondContact O-CB 3.45Å; E352-R355 PolarHBondContact O-N 2.92Å; E352-R355 VanDerWaalsContact O-N 3.12Å; E352-D356 VanDerWaalsContact O-CG 3.27Å; E352-D356 PolarHBondContact O-N 3.39Å
353R98.7Very high96.8Very high62 Ų6246.4 Ų46.423%0.23422%0.221CC..Hα-helixtrans-57.6-43.1172.7-177.8178.9177.7-84.3-20.9112I133 G136 D137 R349 T350 R355 D356 L357I133-R353 PolarHBondContact O-NH1 3.16Å; G136-R353 PolarHBondContact O-NH2 3.35Å; D137-R353 VanDerWaalsContact O-CZ 3.23Å; D137-R353 PolarHBondContact O-NH1 3.36Å; D137-R353 PolarHBondContact O-NH2 2.91Å; R349-R353 PolarHBondContact O-N 2.87Å; T350-R353 PolarHBondContact O-N 3.17Å; R353-R355 VanDerWaalsContact C-N 3.32Å; R353-R355 PolarHBondContact O-N 2.88Å; R353-D356 PolarHBondContact O-N 3.41Å; R353-L357 WeakPolarHBondContact O-CG 3.46Å; R353-L357 PolarHBondContact O-N 3.1Å
354L98.8Very high95.5Very high3 Ų352.3 Ų52.32%0.01625%0.246CC..Hα-helixtrans-60.6-41.4176.4-179.160.6000112.1I133 Y183 M184 L344 T350 S351 E352 D356 L357 H358I133-L354 HydrophobicContact CD1-CD1 3.73Å; I133-L354 HydrophobicContact CD1-CD2 4.38Å; I133-L354 HydrophobicContact CG1-CD1 4.25Å; I133-L354 HydrophobicContact CG2-CB 4.15Å; Y183-L354 HydrophobicContact CD1-CD2 4.11Å; Y183-L354 HydrophobicContact CE1-CD2 3.99Å; M184-L354 HydrophobicContact CB-CD2 4.47Å; M184-L354 HydrophobicContact CG-CD2 3.98Å; L344-L354 HydrophobicContact CD2-CD2 3.66Å; T350-L354 PolarHBondContact O-N 3.29Å; S351-L354 PolarHBondContact O-N 3.28Å; E352-L354 VanDerWaalsContact C-N 3.29Å; E352-L354 PolarHBondContact O-N 3.14Å; L354-D356 VanDerWaalsContact C-N 3.31Å; L354-D356 PolarHBondContact O-N 3.29Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-H358 VanDerWaalsContact CD1-NE2 3.28Å; L354-H358 WeakPolarHBondContact CD1-NE2 3.42Å; L354-H358 PolarHBondContact O-CD2 3.03Å; L354-H358 VanDerWaalsContact O-CG 3.29Å; L354-H358 PolarHBondContact O-N 2.64Å
355R98.4Very high94.1Very high124 Ų12457.3 Ų57.347%0.46827%0.273SS..Hα-helixtrans-60.4-42.8174.9178.9-165.964.9-131.5-9.5111.1S351 E352 R353 H358 Q359S351-R355 PolarHBondContact O-N 2.85Å; E352-R355 WeakPolarHBondContact O-CB 3.45Å; E352-R355 PolarHBondContact O-N 2.92Å; E352-R355 VanDerWaalsContact O-N 3.12Å; R353-R355 VanDerWaalsContact C-N 3.32Å; R353-R355 PolarHBondContact O-N 2.88Å; R355-H358 PolarHBondContact O-N 3.44Å; R355-Q359 WeakPolarHBondContact O-CG 3.28Å; R355-Q359 PolarHBondContact O-N 2.99Å
356D98.3Very high92.1Very high82 Ų8260.7 Ų60.744%0.43930%0.297SS..Hα-helixtrans-68-38.3179.2-56.9-13.6000110.9E352 R353 L354 H358 Q359 S360E352-D356 VanDerWaalsContact O-CG 3.27Å; E352-D356 PolarHBondContact O-N 3.39Å; R353-D356 PolarHBondContact O-N 3.41Å; L354-D356 VanDerWaalsContact C-N 3.31Å; L354-D356 PolarHBondContact O-N 3.29Å; D356-H358 PolarHBondContact O-N 3.22Å; D356-Q359 PolarHBondContact O-N 3.29Å; D356-S360 PolarHBondContact O-N 3.26Å
357L98.1Very high90.2Very high17 Ų1767.8 Ų67.89%0.08933%0.33CS..Hα-helixtrans-59-45.9170.4-75.3175.8000111.9D138 L139 R353 L354 Q359 S360 W361D138-L357 HydrophobicContact CB-CD2 3.89Å; L139-L357 HydrophobicContact CD1-CD1 3.73Å; R353-L357 WeakPolarHBondContact O-CG 3.46Å; R353-L357 PolarHBondContact O-N 3.1Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 2.84Å; L357-Q359 VanDerWaalsContact C-N 3.29Å; L357-Q359 PolarHBondContact O-N 3.22Å; L357-S360 WeakPolarHBondContact O-CB 3.32Å; L357-S360 PolarHBondContact O-N 2.88Å; L357-S360 VanDerWaalsContact O-N 3.11Å; L357-S360 PolarHBondContact O-OG 3.44Å; L357-W361 HydrophobicContact CB-CZ2 4.46Å; L357-W361 PolarHBondContact O-N 2.88Å; L357-W361 VanDerWaalsContact O-N 3.09Å
358H98.3Very high88Confident21 Ų2175.1 Ų75.110%0.09736%0.364CS..Hα-helixtrans-61.6-37.2177.4-67.5174.6000112.6Y183 M184 L354 R355 D356 W361 K362Y183-H358 PolarHBondContact O-CE1 3.45Å; Y183-H358 PolarHBondContact O-NE2 3.31Å; M184-H358 PolarHBondContact O-NE2 2.88Å; L354-H358 VanDerWaalsContact CD1-NE2 3.28Å; L354-H358 WeakPolarHBondContact CD1-NE2 3.42Å; L354-H358 PolarHBondContact O-CD2 3.03Å; L354-H358 VanDerWaalsContact O-CG 3.29Å; L354-H358 PolarHBondContact O-N 2.64Å; R355-H358 PolarHBondContact O-N 3.44Å; D356-H358 PolarHBondContact O-N 3.22Å; H358-W361 AromaticContact CD2-CE3 3.85Å; H358-W361 AromaticContact CD2-CZ3 3.49Å; H358-W361 VanDerWaalsContact CD2-CZ3 3.49Å; H358-W361 WeakPolarHBondContact CD2-CZ3 3.38Å; H358-W361 AromaticContact NE2-CZ3 3.93Å; H358-W361 PolarHBondContact O-N 3.44Å; H358-K362 PolarHBondContact O-N 2.98Å
359Q96.9Very high85.5Confident113 Ų11381.2 Ų81.253%0.52839%0.388SS..Hα-helixtrans-65.7-39.4174-69.5175.48.300111.6R355 D356 L357 W361 K362 T363R355-Q359 WeakPolarHBondContact O-CG 3.28Å; R355-Q359 PolarHBondContact O-N 2.99Å; D356-Q359 PolarHBondContact O-N 3.29Å; L357-Q359 VanDerWaalsContact C-N 3.29Å; L357-Q359 PolarHBondContact O-N 3.22Å; Q359-W361 VanDerWaalsContact C-N 3.3Å; Q359-W361 PolarHBondContact O-N 2.92Å; Q359-K362 PolarHBondContact O-N 3.32Å; Q359-T363 PolarHBondContact O-N 3.37Å; Q359-T363 PolarHBondContact O-OG1 3.32Å
360S95.8Very high82.8Confident44 Ų4481.2 Ų81.231%0.30840%0.4SS..Hα-helixtrans-64.9-30.117781.40000113.6D356 L357 T363 K364D356-S360 PolarHBondContact O-N 3.26Å; L357-S360 WeakPolarHBondContact O-CB 3.32Å; L357-S360 PolarHBondContact O-N 2.88Å; L357-S360 VanDerWaalsContact O-N 3.11Å; L357-S360 PolarHBondContact O-OG 3.44Å; S360-T363 PolarHBondContact O-OG1 3.28Å; S360-K364 PolarHBondContact O-N 3.14Å
361W94Very high80.5Confident31 Ų3189.9 Ų89.912%0.11744%0.44CS..Hα-helixtrans-72.9-38.8177.2-60.4-16.9000112L139 K144 N186 L357 H358 Q359 T363 K364 D365L139-W361 HydrophobicContact CB-CZ2 4.29Å; L139-W361 HydrophobicContact CD1-CH2 4.45Å; L139-W361 HydrophobicContact CD1-CZ2 4.14Å; K144-W361 VanDerWaalsContact NZ-CD2 3.28Å; N186-W361 HydrophobicContact CB-CE3 4.41Å; N186-W361 HydrophobicContact CB-CZ3 4.26Å; L357-W361 HydrophobicContact CB-CZ2 4.46Å; L357-W361 PolarHBondContact O-N 2.88Å; L357-W361 VanDerWaalsContact O-N 3.09Å; H358-W361 AromaticContact CD2-CE3 3.85Å; H358-W361 AromaticContact CD2-CZ3 3.49Å; H358-W361 VanDerWaalsContact CD2-CZ3 3.49Å; H358-W361 WeakPolarHBondContact CD2-CZ3 3.38Å; H358-W361 AromaticContact NE2-CZ3 3.93Å; H358-W361 PolarHBondContact O-N 3.44Å; Q359-W361 VanDerWaalsContact C-N 3.3Å; Q359-W361 PolarHBondContact O-N 2.92Å; W361-T363 VanDerWaalsContact C-N 3.27Å; W361-T363 PolarHBondContact O-N 3.14Å; W361-K364 PolarHBondContact O-N 3.15Å; W361-D365 PolarHBondContact O-N 3.49Å; W361-D365 VanDerWaalsContact O-N 3.1Å
362K87.6Confident78.1Confident135 Ų13593.9 Ų93.959%0.58747%0.468SS*.Hα-helixtrans-62.2-33.8177.9-68.5-179.2-177.8-176.90113.3H358 Q359 S366H358-K362 PolarHBondContact O-N 2.98Å; Q359-K362 PolarHBondContact O-N 3.32Å; K362-S366 PolarHBondContact O-N 2.88Å; K362-S366 PolarHBondContact O-OG 2.56Å
363T78.4Confident75.7Confident75 Ų7595.1 Ų95.146%0.4648%0.482SS..Hα-helixtrans-72.9-41.8179.245.40000111.4Q359 S360 W361 D365 S366 E367Q359-T363 PolarHBondContact O-N 3.37Å; Q359-T363 PolarHBondContact O-OG1 3.32Å; S360-T363 PolarHBondContact O-OG1 3.28Å; W361-T363 VanDerWaalsContact C-N 3.27Å; W361-T363 PolarHBondContact O-N 3.14Å; T363-D365 PolarHBondContact O-N 3.1Å; T363-S366 WeakPolarHBondContact CA-OG 3.37Å; T363-S366 PolarHBondContact O-N 3.45Å; T363-S366 PolarHBondContact O-OG 3.12Å; T363-E367 PolarHBondContact O-N 3.25Å; T363-E367 VanDerWaalsContact O-N 3.07Å
364K72.7Confident73Confident128 Ų128103.2 Ų103.256%0.55751%0.512SS*.Hα-helixtrans-60.5-45174-71.3-176.2177.3-176.50112.7S360 W361 S366 E367 E368S360-K364 PolarHBondContact O-N 3.14Å; W361-K364 PolarHBondContact O-N 3.15Å; K364-S366 PolarHBondContact O-N 3.07Å; K364-E367 PolarHBondContact O-N 2.7Å; K364-E367 VanDerWaalsContact O-N 3.15Å; K364-E368 PolarHBondContact O-N 3.17Å; K364-E368 VanDerWaalsContact O-N 3.14Å
365D68.4Low70.3Confident106 Ų106109.7 Ų109.757%0.56755%0.545SS*.Hα-helixtrans-62-30.2177.5-65.2-16.9000112.2W361 T363W361-D365 PolarHBondContact O-N 3.49Å; W361-D365 VanDerWaalsContact O-N 3.1Å; T363-D365 PolarHBondContact O-N 3.1Å
366S58.1Low67.4Low75 Ų75108.9 Ų108.952%0.52456%0.558SS.*Hα-helixtrans-80.5-25.1176.7640000114.5K362 T363 K364K362-S366 PolarHBondContact O-N 2.88Å; K362-S366 PolarHBondContact O-OG 2.56Å; T363-S366 WeakPolarHBondContact CA-OG 3.37Å; T363-S366 PolarHBondContact O-N 3.45Å; T363-S366 PolarHBondContact O-OG 3.12Å; K364-S366 PolarHBondContact O-N 3.07Å
367E57.8Low64.7Low152 Ų152114.9 Ų114.971%0.7160%0.599SS**Hα-helixtrans-81.7-29.1176.6-73.2-178.3174.200112.3T363 K364 F369T363-E367 PolarHBondContact O-N 3.25Å; T363-E367 VanDerWaalsContact O-N 3.07Å; K364-E367 PolarHBondContact O-N 2.7Å; K364-E367 VanDerWaalsContact O-N 3.15Å; E367-F369 VanDerWaalsContact C-N 3.28Å; E367-F369 PolarHBondContact O-N 3.44Å
368E53.3Low63.1Low154 Ų154119.8 Ų119.872%0.7262%0.624SS**SBendtrans-75-12.6175.4-73.4-172.6173.600113.9K364K364-E368 PolarHBondContact O-N 3.17Å; K364-E368 VanDerWaalsContact O-N 3.14Å
369F45.9Very low61.2Low169 Ų169125 Ų12574%0.74165%0.652SS**SBendtrans-123.878.5171.8-70.5-85.3000111.9E367 E371E367-F369 VanDerWaalsContact C-N 3.28Å; E367-F369 PolarHBondContact O-N 3.44Å; F369-E371 PolarHBondContact O-N 3.43Å
370P43.7Very low59.2Low97 Ų97125.7 Ų125.763%0.6366%0.659SS**  trans-62.9135.5168.8-7.621.1000109.3S372P370-S372 PolarHBondContact O-N 2.71Å
371E48.8Very low57.1Low188 Ų188130.5 Ų130.588%0.87968%0.679SS**  trans-56.983.6167.7-77.6-174.6147.800110.6F369F369-E371 PolarHBondContact O-N 3.43Å
372S49.5Very low54.8Low106 Ų106136.7 Ų136.774%0.74171%0.714SS**  trans-113.354.7170.973.50000110.9P370P370-S372 PolarHBondContact O-N 2.71Å
373V47.8Very low52.6Low116 Ų116136.8 Ų136.870%0.70372%0.723SS**  trans-145.869.8153.6-167.80000109.1I375V373-I375 HydrophobicContact CG1-CD1 3.67Å; V373-I375 HydrophobicContact CG1-CG1 3.72Å
374R43.3Very low50.7Low231 Ų231141.2 Ų141.287%0.87274%0.742SS**  trans-94.190145.2-78.4-171-176.7-170.12.6106.7S376R374-S376 PolarHBondContact O-N 3.29Å
375I41.2Very low49.1Very low140 Ų140142.2 Ų142.272%0.71876%0.756SS**  trans-75.3110.5166.2-68.5166.8000106.8V373V373-I375 HydrophobicContact CG1-CD1 3.67Å; V373-I375 HydrophobicContact CG1-CG1 3.72Å
376S38.5Very low47.4Very low106 Ų106145.3 Ų145.374%0.74177%0.772SS**  trans-69.8114.4156.948.80000109.8R374R374-S376 PolarHBondContact O-N 3.29Å
377T41.5Very low46.5Very low209 Ų209151.6 Ų151.6100%1.28279%0.794SS**  176.7012935.10000108.9

Retrieved 377 of 377 residues in 118.7 ms (Link to these results)

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