A0A3Q0KPB5_SCHMA Loading...

Putative p53 regulated pa26 nuclear protein sestrin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 623 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
1M46.1Very low52.6Low27 Ų2757.9 Ų57.913%0.13333%0.328CS..  0-590-73-102.7-118.800112.7I4 C5 F129 Y219 I308 I313 P315 Y573M1-I4 PolarHBondContact O-N 2.77Å; M1-C5 WeakPolarHBondContact O-CB 3.37Å; M1-C5 PolarHBondContact O-N 3.26Å; M1-C5 PolarHBondContact O-SG 3.44Å; M1-C5 VanDerWaalsContact O-SG 3.36Å; M1-F129 HydrophobicContact CG-CE2 4.45Å; M1-Y219 VanDerWaalsContact CE-CB 3.44Å; M1-Y219 HydrophobicContact CE-CD2 4.18Å; M1-Y219 HydrophobicContact CE-CG 4.03Å; M1-I308 HydrophobicContact CE-CG2 3.55Å; M1-I313 WeakPolarHBondContact CE-O 3.38Å; M1-P315 HydrophobicContact CG-CG 4.44Å; M1-P315 HydrophobicContact SD-CG 3.8Å; M1-Y573 HydrophobicContact CG-CE2 4.35Å
2S43.8Very low55.6Low9 Ų953.8 Ų53.86%0.06330%0.304CS..THydrogen-bonded Turntrans-65.8-43.9-173.658.80000116I4 M6 H445S2-I4 VanDerWaalsContact C-N 3.34Å; S2-M6 WeakPolarHBondContact O-CB 3.48Å; S2-M6 WeakPolarHBondContact O-CG 3.16Å; S2-H445 PolarHBondContact OG-CE1 2.87Å; S2-H445 PolarHBondContact OG-NE2 3.46Å
3V43.4Very low58Low100 Ų10051.2 Ų51.261%0.60629%0.289SS*.THydrogen-bonded Turntrans-76.2-27.8173.9178.90000111.4
4I48.5Very low60Low47 Ų4758.9 Ų58.924%0.24132%0.321CS..THydrogen-bonded Turntrans-77.1-41.3-172.4-65.2-178.4000110.8M1 S2 F129 P315 Y320M1-I4 PolarHBondContact O-N 2.77Å; S2-I4 VanDerWaalsContact C-N 3.34Å; I4-F129 HydrophobicContact CD1-CE1 4.22Å; I4-F129 HydrophobicContact CD1-CZ 3.76Å; I4-P315 HydrophobicContact CG2-CG 4.15Å; I4-Y320 HydrophobicContact CB-CE2 4.14Å; I4-Y320 HydrophobicContact CG2-CD1 3.86Å; I4-Y320 HydrophobicContact CG2-CD2 3.48Å; I4-Y320 VanDerWaalsContact CG2-CD2 3.48Å; I4-Y320 HydrophobicContact CG2-CE1 3.68Å; I4-Y320 HydrophobicContact CG2-CE2 3.28Å; I4-Y320 HydrophobicContact CG2-CG 3.78Å; I4-Y320 WeakPolarHBondContact O-CD2 3.41Å; I4-Y320 WeakPolarHBondContact O-CE2 3.4Å
5C48.8Very low62Low4 Ų455.9 Ų55.93%0.02730%0.303CS..SBendtrans-86.6-4.1-180-62.50000114M1 N7 C9 I218M1-C5 WeakPolarHBondContact O-CB 3.37Å; M1-C5 PolarHBondContact O-N 3.26Å; M1-C5 PolarHBondContact O-SG 3.44Å; M1-C5 VanDerWaalsContact O-SG 3.36Å; C5-N7 PolarHBondContact O-N 3.29Å; C5-C9 PolarHBondContact O-SG 3.26Å; C5-I218 HydrophobicContact CB-CD1 4.39Å; C5-I218 HydrophobicContact CB-CG2 3.97Å
6M43.6Very low63.8Low63 Ų6357 Ų5731%0.3131%0.313SS..THydrogen-bonded Turntrans-68.9-27.7-162.1-118.5179.2178.300115S2 K448S2-M6 WeakPolarHBondContact O-CB 3.48Å; S2-M6 WeakPolarHBondContact O-CG 3.16Å; M6-K448 HydrophobicContact CE-CD 4.23Å; M6-K448 HydrophobicContact CE-CG 3.88Å; M6-K448 VanDerWaalsContact SD-CE 3.59Å
7N45.7Very low65.6Low128 Ų12857.8 Ų57.868%0.68432%0.316SS*.THydrogen-bonded Turntrans-104.9-22.5-169.5-71.5-11.3000115.1C5C5-N7 PolarHBondContact O-N 3.29Å
8H50.4Low67.1Low113 Ų11361.7 Ų61.752%0.52334%0.337SS..THydrogen-bonded Turntrans-136.9-2.2-163.3-65.1-51.8000117.3S10 D321H8-S10 VanDerWaalsContact C-N 3.29Å; H8-S10 PolarHBondContact O-N 2.95Å; H8-D321 VanDerWaalsContact CB-OD2 3.23Å; H8-D321 WeakPolarHBondContact CB-OD2 3.45Å; H8-D321 IonicContact CD2-OD2 3.66Å; H8-D321 PolarHBondContact CD2-OD2 3.49Å; H8-D321 IonicContact CG-OD2 3.14Å; H8-D321 IonicContact ND1-OD2 3.27Å
9C59.9Low68.4Low8 Ų858.9 Ų58.95%0.05432%0.322CS..THydrogen-bonded Turntrans-80.1-0.4-177.4-60.40000115.4C5 S11 L222 N319 L454C5-C9 PolarHBondContact O-SG 3.26Å; C9-S11 VanDerWaalsContact C-N 3.32Å; C9-S11 PolarHBondContact O-N 3.49Å; C9-L222 HydrophobicContact CB-CD1 3.72Å; C9-L222 HydrophobicContact CB-CD2 4.08Å; C9-N319 PolarHBondContact SG-O 3.09Å; C9-L454 HydrophobicContact CB-CD1 3.78Å
10S68Low69.6Low66 Ų6656.4 Ų56.446%0.46231%0.308SS..THydrogen-bonded Turntrans-77.5-13.8-177.242.30000114.5H8 L12 L13H8-S10 VanDerWaalsContact C-N 3.29Å; H8-S10 PolarHBondContact O-N 2.95Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 2.79Å; S10-L13 PolarHBondContact O-N 2.95Å
11S80.6Confident70.8Confident72 Ų7255.5 Ų55.550%0.50330%0.303SS..G310 helixtrans-61.2-38.3179.256.50000112.4C9 L13 Q14 R15C9-S11 VanDerWaalsContact C-N 3.32Å; C9-S11 PolarHBondContact O-N 3.49Å; S11-L13 PolarHBondContact O-N 3.34Å; S11-L13 VanDerWaalsContact O-N 3.17Å; S11-Q14 WeakPolarHBondContact O-CB 3.44Å; S11-Q14 PolarHBondContact O-N 3.03Å; S11-R15 PolarHBondContact O-N 3.46Å
12L88.1Confident73.1Confident8 Ų855.7 Ų55.74%0.04231%0.305CS..G310 helixtrans-56.3-35.6178.4177.462000112.4S10 Q14 R15 L222 V225 R226 I229S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 2.79Å; L12-Q14 PolarHBondContact O-N 3.33Å; L12-R15 PolarHBondContact O-N 3.17Å; L12-L222 HydrophobicContact CD2-CB 4.3Å; L12-L222 HydrophobicContact CD2-CD2 4.09Å; L12-L222 WeakPolarHBondContact CD2-O 3.13Å; L12-V225 HydrophobicContact CD2-CB 4.38Å; L12-V225 HydrophobicContact CD2-CG1 4.01Å; L12-V225 HydrophobicContact CG-CG1 3.98Å; L12-R226 HydrophobicContact CD1-CB 4.37Å; L12-R226 HydrophobicContact CD1-CG 4.33Å; L12-R226 HydrophobicContact CD2-CB 4.21Å; L12-I229 WeakPolarHBondContact O-CD1 3.33Å
13L87.8Confident75.5Confident20 Ų2055.9 Ų55.911%0.10531%0.305CS..G310 helixtrans-72.2-10.3-178.5-70.684.5000112.9S10 S11 L222 V225 L454 R457S10-L13 PolarHBondContact O-N 2.95Å; S11-L13 PolarHBondContact O-N 3.34Å; S11-L13 VanDerWaalsContact O-N 3.17Å; L13-L222 HydrophobicContact CD1-CD2 4.37Å; L13-V225 HydrophobicContact CG-CG1 4.16Å; L13-L454 HydrophobicContact CD1-CD2 3.47Å; L13-L454 VanDerWaalsContact CD1-CD2 3.47Å; L13-L454 HydrophobicContact CD2-CD2 3.96Å; L13-L454 HydrophobicContact CG-CD2 4.42Å; L13-R457 VanDerWaalsContact CD2-CZ 3.44Å
14Q85.7Confident78Confident159 Ų15956.7 Ų56.774%0.74330%0.302SS*.G310 helixtrans-102.1-7.2177.5-60.9178.1-14.300112.3S11 L12S11-Q14 WeakPolarHBondContact O-CB 3.44Å; S11-Q14 PolarHBondContact O-N 3.03Å; L12-Q14 PolarHBondContact O-N 3.33Å
15R89.4Confident80.1Confident14 Ų1456 Ų565%0.05331%0.307CS..  trans-70.2145.4179.8-69.9-173.966.4170.2-1.1111.5S11 L12 S19 V20 E83 Q84 D87S11-R15 PolarHBondContact O-N 3.46Å; L12-R15 PolarHBondContact O-N 3.17Å; R15-S19 VanDerWaalsContact CZ-OG 3.27Å; R15-S19 PolarHBondContact NE-OG 3.43Å; R15-S19 VanDerWaalsContact NH2-C 3.31Å; R15-S19 PolarHBondContact NH2-O 3.33Å; R15-S19 PolarHBondContact NH2-OG 2.93Å; R15-V20 HydrophobicContact CB-CG2 3.75Å; R15-E83 HydrophobicContact CG-CG 4.35Å; R15-E83 IonicContact NE-OE1 2.86Å; R15-Q84 VanDerWaalsContact NH2-NE2 3.14Å; R15-D87 IonicContact CZ-OD2 3.97Å; R15-D87 IonicContact NH1-OD1 2.83Å; R15-D87 IonicContact NH1-OD2 3.11Å; R15-D87 PolarHBondContact NH1-OD2 3.1Å; R15-D87 IonicContact NH2-OD2 2.74Å; R15-D87 PolarHBondContact NH2-OD2 2.96Å
16T91.7Very high82.4Confident74 Ų7455.9 Ų55.945%0.45431%0.306SS..  trans-83.7163.2173.9630000111.4D18 S19 V20T16-D18 VanDerWaalsContact C-N 3.31Å; T16-D18 PolarHBondContact O-N 3.15Å; T16-S19 PolarHBondContact O-N 3.18Å; T16-S19 WeakPolarHBondContact OG1-CB 3.46Å; T16-S19 PolarHBondContact OG1-N 3.27Å; T16-V20 WeakPolarHBondContact O-CG2 3.45Å; T16-V20 PolarHBondContact O-N 2.71Å
17L94.1Very high84.8Confident70 Ų7053.5 Ų53.537%0.36630%0.295SS..Hα-helixtrans-52.1-50.3172175.866.4000111.5S19 V20 N21 I229 S230L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 2.92Å; L17-V20 PolarHBondContact O-N 3.5Å; L17-N21 WeakPolarHBondContact CD1-ND2 3.35Å; L17-N21 WeakPolarHBondContact O-CB 3.28Å; L17-N21 PolarHBondContact O-N 3.48Å; L17-I229 WeakPolarHBondContact CD1-O 3.39Å; L17-S230 WeakPolarHBondContact CD1-O 3.35Å
18D92.5Very high87.2Confident129 Ų12951 Ų5169%0.6928%0.282SS*.Hα-helixtrans-61.5-40.5-178.7-61.3-24.7000111.8T16 N21 L22T16-D18 VanDerWaalsContact C-N 3.31Å; T16-D18 PolarHBondContact O-N 3.15Å; D18-N21 PolarHBondContact O-N 2.88Å; D18-L22 PolarHBondContact O-N 3.29Å
19S92.1Very high89.3Confident8 Ų852 Ų526%0.05628%0.281CS..Hα-helixtrans-63-49.1176.7167.60000111.6R15 T16 L17 N21 L22 E83 Q84R15-S19 VanDerWaalsContact CZ-OG 3.27Å; R15-S19 PolarHBondContact NE-OG 3.43Å; R15-S19 VanDerWaalsContact NH2-C 3.31Å; R15-S19 PolarHBondContact NH2-O 3.33Å; R15-S19 PolarHBondContact NH2-OG 2.93Å; T16-S19 PolarHBondContact O-N 3.18Å; T16-S19 WeakPolarHBondContact OG1-CB 3.46Å; T16-S19 PolarHBondContact OG1-N 3.27Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 2.92Å; S19-N21 VanDerWaalsContact C-N 3.26Å; S19-N21 PolarHBondContact O-N 3.45Å; S19-L22 PolarHBondContact O-N 3.26Å; S19-E83 VanDerWaalsContact CB-OE1 3.29Å; S19-E83 WeakPolarHBondContact CB-OE1 3.39Å; S19-E83 PolarHBondContact OG-OE1 3.08Å; S19-Q84 PolarHBondContact O-OE1 3.48Å; S19-Q84 PolarHBondContact OG-NE2 3.49Å; S19-Q84 VanDerWaalsContact OG-NE2 3.08Å
20V92.5Very high91Very high8 Ų855.6 Ų55.65%0.04830%0.3CS..Hα-helixtrans-65.9-32.5-176.9178.70000111.7R15 T16 L17 R226 I229 S230R15-V20 HydrophobicContact CB-CG2 3.75Å; T16-V20 WeakPolarHBondContact O-CG2 3.45Å; T16-V20 PolarHBondContact O-N 2.71Å; L17-V20 PolarHBondContact O-N 3.5Å; V20-R226 HydrophobicContact CG1-CG 3.52Å; V20-R226 PolarHBondContact O-NH2 2.93Å; V20-I229 HydrophobicContact CB-CG2 4.12Å; V20-I229 HydrophobicContact CG2-CB 4.28Å; V20-I229 HydrophobicContact CG2-CD1 4.44Å; V20-I229 HydrophobicContact CG2-CG2 3.68Å; V20-S230 WeakPolarHBondContact CG1-OG 3.46Å
21N93.7Very high92.4Very high38 Ų3858.4 Ų58.420%0.20331%0.306CS..Hα-helixtrans-93-1.7-176.8-69.3-10.8000114.3L17 D18 S19 L23 Q24 S230L17-N21 WeakPolarHBondContact CD1-ND2 3.35Å; L17-N21 WeakPolarHBondContact O-CB 3.28Å; L17-N21 PolarHBondContact O-N 3.48Å; D18-N21 PolarHBondContact O-N 2.88Å; S19-N21 VanDerWaalsContact C-N 3.26Å; S19-N21 PolarHBondContact O-N 3.45Å; N21-L23 PolarHBondContact O-N 3.33Å; N21-L23 VanDerWaalsContact O-N 3.14Å; N21-Q24 HydrophobicContact CB-CB 4.49Å; N21-Q24 WeakPolarHBondContact O-CB 3.48Å; N21-Q24 PolarHBondContact O-N 3.13Å; N21-S230 PolarHBondContact ND2-O 2.95Å; N21-S230 VanDerWaalsContact OD1-CB 3.3Å; N21-S230 WeakPolarHBondContact OD1-CB 3.32Å; N21-S230 PolarHBondContact OD1-OG 3.27Å
22L94.9Very high93.1Very high32 Ų3259 Ų5917%0.16831%0.31CS..THydrogen-bonded Turntrans-53.3-41-175.3-177.565.9000113.6D18 S19 I44 F45 W48 Q84D18-L22 PolarHBondContact O-N 3.29Å; S19-L22 PolarHBondContact O-N 3.26Å; L22-I44 HydrophobicContact CD1-CD1 3.97Å; L22-I44 HydrophobicContact CD1-CG2 4.34Å; L22-F45 HydrophobicContact CD2-CE1 3.74Å; L22-F45 HydrophobicContact CD2-CZ 4.45Å; L22-W48 HydrophobicContact CD1-CH2 4.26Å; L22-W48 HydrophobicContact CD2-CH2 3.6Å; L22-W48 HydrophobicContact CD2-CZ3 3.78Å; L22-Q84 HydrophobicContact CD2-CG 3.6Å
23L95.3Very high93.5Very high12 Ų1259.9 Ų59.96%0.06332%0.318CS..THydrogen-bonded Turntrans-93.54.9-177.3-53.7-179.6000113.1N21 G25 L26 I41 D87 L88 I91N21-L23 PolarHBondContact O-N 3.33Å; N21-L23 VanDerWaalsContact O-N 3.14Å; L23-G25 PolarHBondContact O-N 3.15Å; L23-L26 WeakPolarHBondContact O-CB 3.48Å; L23-L26 PolarHBondContact O-N 2.93Å; L23-L26 VanDerWaalsContact O-N 3.12Å; L23-I41 HydrophobicContact CD2-CD1 3.87Å; L23-I41 HydrophobicContact CD2-CG1 4.25Å; L23-I41 HydrophobicContact CD2-CG2 3.77Å; L23-D87 HydrophobicContact CD1-CB 3.7Å; L23-L88 HydrophobicContact CD1-CD2 3.98Å; L23-L88 HydrophobicContact CD1-CG 3.97Å; L23-L88 HydrophobicContact CD2-CD2 4.21Å; L23-I91 HydrophobicContact CB-CD1 4Å; L23-I91 HydrophobicContact CD1-CD1 3.57Å; L23-I91 HydrophobicContact CG-CD1 4.39Å
24Q94.1Very high94Very high117 Ų11759.1 Ų59.155%0.54731%0.314SS..G310 helixtrans-61.4-29.5-173.9-172.6175.6800112.6N21 L26 S27N21-Q24 HydrophobicContact CB-CB 4.49Å; N21-Q24 WeakPolarHBondContact O-CB 3.48Å; N21-Q24 PolarHBondContact O-N 3.13Å; Q24-L26 PolarHBondContact O-N 3.04Å; Q24-L26 VanDerWaalsContact O-N 3.14Å; Q24-S27 VanDerWaalsContact O-CB 3.22Å; Q24-S27 WeakPolarHBondContact O-CB 3.5Å; Q24-S27 PolarHBondContact O-N 3.49Å; Q24-S27 PolarHBondContact O-OG 3.19Å; Q24-S27 VanDerWaalsContact O-OG 3.09Å
25G94.3Very high94.5Very high33 Ų3358 Ų5834%0.3431%0.308SS..G310 helixtrans-58-26.1177.300000114.2L23 S27 N28L23-G25 PolarHBondContact O-N 3.15Å; G25-S27 PolarHBondContact O-N 3.19Å; G25-S27 VanDerWaalsContact O-N 3.16Å; G25-N28 PolarHBondContact O-N 2.58Å
26L95.9Very high94.9Very high1 Ų163.8 Ų63.81%0.00534%0.336CS..G310 helixtrans-71.4-4174.1-60.2178.4000113.6L23 Q24 R34 A38 I41 I91 I100 A103 W162L23-L26 WeakPolarHBondContact O-CB 3.48Å; L23-L26 PolarHBondContact O-N 2.93Å; L23-L26 VanDerWaalsContact O-N 3.12Å; Q24-L26 PolarHBondContact O-N 3.04Å; Q24-L26 VanDerWaalsContact O-N 3.14Å; L26-R34 WeakPolarHBondContact O-CD 3.35Å; L26-A38 HydrophobicContact CD2-CB 4.07Å; L26-I41 HydrophobicContact CD1-CD1 4.2Å; L26-I41 HydrophobicContact CD2-CD1 4.28Å; L26-I41 HydrophobicContact CG-CD1 3.95Å; L26-I91 HydrophobicContact CD1-CD1 4.12Å; L26-I91 HydrophobicContact CD1-CG2 4.46Å; L26-I100 HydrophobicContact CB-CG2 4.28Å; L26-I100 WeakPolarHBondContact O-CD1 3.44Å; L26-A103 HydrophobicContact CD2-CB 4.37Å; L26-W162 PolarHBondContact O-NE1 3.14Å
27S94.8Very high95.1Very high13 Ų1361.1 Ų61.19%0.09132%0.322CS..G310 helixtrans-98.44.7178.1-39.70000112.1Q24 G25 F163 G166Q24-S27 VanDerWaalsContact O-CB 3.22Å; Q24-S27 WeakPolarHBondContact O-CB 3.5Å; Q24-S27 PolarHBondContact O-N 3.49Å; Q24-S27 PolarHBondContact O-OG 3.19Å; Q24-S27 VanDerWaalsContact O-OG 3.09Å; G25-S27 PolarHBondContact O-N 3.19Å; G25-S27 VanDerWaalsContact O-N 3.16Å; S27-F163 WeakPolarHBondContact O-CA 3.47Å; S27-F163 WeakPolarHBondContact O-CD1 3.36Å; S27-G166 WeakPolarHBondContact OG-CA 3.48Å
28N95.3Very high95.3Very high77 Ų7758.5 Ų58.541%0.41231%0.31SS..  trans-66.2144176.7-159.2-48.2000110.7G25 D30 A33 R34G25-N28 PolarHBondContact O-N 2.58Å; N28-D30 VanDerWaalsContact C-N 3.35Å; N28-D30 PolarHBondContact OD1-N 3.09Å; N28-A33 HydrophobicContact CB-CB 4.12Å; N28-A33 WeakPolarHBondContact ND2-CB 3.16Å; N28-R34 HydrophobicContact CB-CG 3.92Å; N28-R34 WeakPolarHBondContact O-CD 3.31Å; N28-R34 VanDerWaalsContact O-CG 3.28Å; N28-R34 WeakPolarHBondContact O-CG 3.28Å; N28-R34 PolarHBondContact O-NH1 3.06Å
29R95.6Very high95.5Very high134 Ų13455 Ų5551%0.50629%0.293SS..SBendtrans-68.2-36.3175.3-69.8178.5176.1-89-1.1112R34 E160 F163R29-R34 VanDerWaalsContact C-NH1 3.28Å; R29-R34 PolarHBondContact O-NH1 3.33Å; R29-E160 IonicContact CZ-OE1 3.96Å; R29-E160 IonicContact CZ-OE2 2.83Å; R29-E160 IonicContact NH1-OE1 3.85Å; R29-E160 PolarHBondContact NH1-OE1 3.35Å; R29-E160 IonicContact NH1-OE2 3.81Å; R29-E160 PolarHBondContact NH1-OE2 2.86Å; R29-E160 IonicContact NH2-OE1 3.8Å; R29-E160 IonicContact NH2-OE2 3.03Å; R29-E160 PolarHBondContact NH2-OE2 3.39Å; R29-F163 HydrophobicContact CG-CB 3.96Å; R29-F163 HydrophobicContact CG-CD1 4.43Å; R29-F163 HydrophobicContact CG-CD2 3.82Å; R29-F163 HydrophobicContact CG-CE2 4.42Å; R29-F163 HydrophobicContact CG-CG 3.83Å
30D95.7Very high95.8Very high83 Ų8357.7 Ų57.744%0.44431%0.309SS..SBendtrans-78.3127.6178.9176.649.7000111.3N28 S32 A33 R34N28-D30 VanDerWaalsContact C-N 3.35Å; N28-D30 PolarHBondContact OD1-N 3.09Å; D30-S32 VanDerWaalsContact C-N 3.35Å; D30-S32 WeakPolarHBondContact OD2-CB 3.47Å; D30-S32 PolarHBondContact OD2-N 3.13Å; D30-A33 HydrophobicContact CB-CB 4.04Å; D30-A33 PolarHBondContact O-N 2.86Å; D30-A33 PolarHBondContact OD2-N 3.41Å; D30-R34 WeakPolarHBondContact O-CG 3.5Å; D30-R34 PolarHBondContact O-N 3.19Å; D30-R34 VanDerWaalsContact O-N 3.09Å
31E95.6Very high96Very high124 Ų12457.5 Ų57.558%0.57931%0.308SS*.Hα-helixtrans-66.1-37.5-179.5-173.7175.716300112.1A33 R34 H35E31-A33 PolarHBondContact O-N 2.87Å; E31-R34 PolarHBondContact O-N 3.01Å; E31-H35 PolarHBondContact O-N 3.27Å
32S96.8Very high96.1Very high86 Ų8657.7 Ų57.760%0.60131%0.307SS*.Hα-helixtrans-64.2-43.7178.5-510000110.9D30 R34 H35 E36D30-S32 VanDerWaalsContact C-N 3.35Å; D30-S32 WeakPolarHBondContact OD2-CB 3.47Å; D30-S32 PolarHBondContact OD2-N 3.13Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.9Å; S32-H35 WeakPolarHBondContact O-CB 3.48Å; S32-H35 PolarHBondContact O-N 2.89Å; S32-E36 PolarHBondContact O-N 3.27Å
33A97Very high96.1Very high25 Ų2564 Ų6421%0.20733%0.329CS..Hα-helixtrans-62.4-37.817400000112.8N28 D30 E31 E36 A37N28-A33 HydrophobicContact CB-CB 4.12Å; N28-A33 WeakPolarHBondContact ND2-CB 3.16Å; D30-A33 HydrophobicContact CB-CB 4.04Å; D30-A33 PolarHBondContact O-N 2.86Å; D30-A33 PolarHBondContact OD2-N 3.41Å; E31-A33 PolarHBondContact O-N 2.87Å; A33-E36 PolarHBondContact O-N 3.11Å; A33-A37 WeakPolarHBondContact O-CB 3.25Å; A33-A37 PolarHBondContact O-N 3.42Å
34R96.8Very high96Very high5 Ų565.8 Ų65.82%0.01934%0.338CS..Hα-helixtrans-65.6-40.1174.1-69.4-165.1-59.1-81.5-1.6111.9L26 N28 R29 D30 E31 S32 A37 A38 D99L26-R34 WeakPolarHBondContact O-CD 3.35Å; N28-R34 HydrophobicContact CB-CG 3.92Å; N28-R34 WeakPolarHBondContact O-CD 3.31Å; N28-R34 VanDerWaalsContact O-CG 3.28Å; N28-R34 WeakPolarHBondContact O-CG 3.28Å; N28-R34 PolarHBondContact O-NH1 3.06Å; R29-R34 VanDerWaalsContact C-NH1 3.28Å; R29-R34 PolarHBondContact O-NH1 3.33Å; D30-R34 WeakPolarHBondContact O-CG 3.5Å; D30-R34 PolarHBondContact O-N 3.19Å; D30-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 PolarHBondContact O-N 3.01Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.9Å; R34-A37 WeakPolarHBondContact O-CB 3.37Å; R34-A37 PolarHBondContact O-N 3Å; R34-A38 PolarHBondContact O-N 2.92Å; R34-D99 IonicContact CZ-OD2 2.61Å; R34-D99 IonicContact NE-OD1 2.68Å; R34-D99 IonicContact NE-OD2 2.71Å; R34-D99 PolarHBondContact NE-OD2 3.18Å; R34-D99 IonicContact NH2-OD1 2.54Å; R34-D99 PolarHBondContact NH2-OD1 3.48Å; R34-D99 IonicContact NH2-OD2 2.86Å; R34-D99 PolarHBondContact NH2-OD2 2.95Å
35H97.1Very high96Very high134 Ų13460.2 Ų60.262%0.6231%0.312SS*.Hα-helixtrans-62.4-45.7175.6-174.876.2000111.6E31 S32 A37 A38 V39E31-H35 PolarHBondContact O-N 3.27Å; S32-H35 WeakPolarHBondContact O-CB 3.48Å; S32-H35 PolarHBondContact O-N 2.89Å; H35-A37 VanDerWaalsContact C-N 3.32Å; H35-A37 PolarHBondContact O-N 2.93Å; H35-A38 WeakPolarHBondContact O-CB 3.36Å; H35-A38 PolarHBondContact O-N 3.45Å; H35-V39 WeakPolarHBondContact O-CG2 3.28Å; H35-V39 PolarHBondContact O-N 3.11Å
36E97.5Very high95.9Very high137 Ų13761 Ų6164%0.6431%0.308SS*.Hα-helixtrans-61.1-41.1174.9-174.3179.1-175.300112.1S32 A33 V39 T40S32-E36 PolarHBondContact O-N 3.27Å; A33-E36 PolarHBondContact O-N 3.11Å; E36-V39 PolarHBondContact O-N 3.49Å; E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 2.81Å; E36-T40 PolarHBondContact O-OG1 2.81Å
37A96.8Very high95.6Very high18 Ų1863.4 Ų63.415%0.14933%0.325CS..Hα-helixtrans-61.7-44174.800000111.8A33 R34 H35 V39 T40 I41A33-A37 WeakPolarHBondContact O-CB 3.25Å; A33-A37 PolarHBondContact O-N 3.42Å; R34-A37 WeakPolarHBondContact O-CB 3.37Å; R34-A37 PolarHBondContact O-N 3Å; H35-A37 VanDerWaalsContact C-N 3.32Å; H35-A37 PolarHBondContact O-N 2.93Å; A37-V39 PolarHBondContact O-N 3.3Å; A37-T40 WeakPolarHBondContact O-CB 3.27Å; A37-T40 PolarHBondContact O-N 2.95Å; A37-T40 VanDerWaalsContact O-N 3.17Å; A37-I41 WeakPolarHBondContact O-CD1 3.42Å; A37-I41 VanDerWaalsContact O-CG1 3.25Å; A37-I41 WeakPolarHBondContact O-CG1 3.5Å; A37-I41 PolarHBondContact O-N 3.23Å
38A97.5Very high95.4Very high14 Ų1464.3 Ų64.312%0.11633%0.327CS..Hα-helixtrans-59.9-45.3177.200000111.9L26 R34 H35 T40 I41 Q42 A103L26-A38 HydrophobicContact CD2-CB 4.07Å; R34-A38 PolarHBondContact O-N 2.92Å; H35-A38 WeakPolarHBondContact O-CB 3.36Å; H35-A38 PolarHBondContact O-N 3.45Å; A38-T40 VanDerWaalsContact C-N 3.29Å; A38-T40 PolarHBondContact O-N 3Å; A38-I41 PolarHBondContact O-N 2.87Å; A38-Q42 PolarHBondContact O-N 3.44Å; A38-A103 HydrophobicContact CB-CB 3.79Å
39V97.3Very high95.1Very high56 Ų5663.8 Ų63.834%0.33932%0.32SS..Hα-helixtrans-61.1-40.2175.2173.50000111.2H35 E36 A37 Q42 R43H35-V39 WeakPolarHBondContact O-CG2 3.28Å; H35-V39 PolarHBondContact O-N 3.11Å; E36-V39 PolarHBondContact O-N 3.49Å; A37-V39 PolarHBondContact O-N 3.3Å; V39-Q42 PolarHBondContact O-N 2.64Å; V39-R43 WeakPolarHBondContact O-CG 3.34Å; V39-R43 PolarHBondContact O-N 3.33Å; V39-R43 VanDerWaalsContact O-N 3.1Å
40T96.7Very high94.7Very high64 Ų6464.6 Ų64.639%0.39333%0.327SS..Hα-helixtrans-65.7-44.9177.8-59.30000111.6E36 A37 A38 Q42 R43 I44E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 2.81Å; E36-T40 PolarHBondContact O-OG1 2.81Å; A37-T40 WeakPolarHBondContact O-CB 3.27Å; A37-T40 PolarHBondContact O-N 2.95Å; A37-T40 VanDerWaalsContact O-N 3.17Å; A38-T40 VanDerWaalsContact C-N 3.29Å; A38-T40 PolarHBondContact O-N 3Å; T40-Q42 VanDerWaalsContact C-N 3.34Å; T40-Q42 PolarHBondContact O-N 2.96Å; T40-R43 PolarHBondContact O-N 2.85Å; T40-I44 HydrophobicContact CG2-CD1 4.21Å; T40-I44 WeakPolarHBondContact O-CG1 3.23Å; T40-I44 PolarHBondContact O-N 3.46Å
41I96.9Very high93.7Very high5 Ų561 Ų613%0.02631%0.31CS..Hα-helixtrans-59.9-45.4176.5-68159000110.4L23 L26 A37 A38 R43 I44 F45 I107L23-I41 HydrophobicContact CD2-CD1 3.87Å; L23-I41 HydrophobicContact CD2-CG1 4.25Å; L23-I41 HydrophobicContact CD2-CG2 3.77Å; L26-I41 HydrophobicContact CD1-CD1 4.2Å; L26-I41 HydrophobicContact CD2-CD1 4.28Å; L26-I41 HydrophobicContact CG-CD1 3.95Å; A37-I41 WeakPolarHBondContact O-CD1 3.42Å; A37-I41 VanDerWaalsContact O-CG1 3.25Å; A37-I41 WeakPolarHBondContact O-CG1 3.5Å; A37-I41 PolarHBondContact O-N 3.23Å; A38-I41 PolarHBondContact O-N 2.87Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3.29Å; I41-I44 WeakPolarHBondContact O-CB 3.49Å; I41-I44 PolarHBondContact O-N 2.93Å; I41-I44 VanDerWaalsContact O-N 3.16Å; I41-F45 HydrophobicContact CG2-CD1 4.27Å; I41-F45 HydrophobicContact CG2-CE1 4.01Å; I41-F45 HydrophobicContact CG2-CZ 4.3Å; I41-F45 WeakPolarHBondContact O-CD1 3.5Å; I41-F45 PolarHBondContact O-N 3.11Å; I41-I107 HydrophobicContact CB-CD1 4.39Å; I41-I107 HydrophobicContact CG2-CD1 3.83Å
42Q96Very high92.3Very high41 Ų4161 Ų6119%0.19231%0.308CS..Hα-helixtrans-57.7-45.8176.9-176.163.150.500111.7A38 V39 T40 I44 F45 D46 D110A38-Q42 PolarHBondContact O-N 3.44Å; V39-Q42 PolarHBondContact O-N 2.64Å; T40-Q42 VanDerWaalsContact C-N 3.34Å; T40-Q42 PolarHBondContact O-N 2.96Å; Q42-I44 VanDerWaalsContact C-N 3.32Å; Q42-I44 PolarHBondContact O-N 2.78Å; Q42-F45 PolarHBondContact O-N 3.35Å; Q42-F45 VanDerWaalsContact O-N 3.16Å; Q42-D46 PolarHBondContact NE2-OD1 3.21Å; Q42-D46 VanDerWaalsContact O-CG 3.28Å; Q42-D46 PolarHBondContact O-N 2.94Å; Q42-D110 PolarHBondContact NE2-OD2 2.78Å
43R94.6Very high90.1Very high164 Ų16460.3 Ų60.362%0.61932%0.315SS*.Hα-helixtrans-62.6-36.9176.9-71.9174.9-178.2170.93113.1V39 T40 I41 F45 S47V39-R43 WeakPolarHBondContact O-CG 3.34Å; V39-R43 PolarHBondContact O-N 3.33Å; V39-R43 VanDerWaalsContact O-N 3.1Å; T40-R43 PolarHBondContact O-N 2.85Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3.29Å; R43-F45 VanDerWaalsContact C-N 3.34Å; R43-S47 WeakPolarHBondContact O-CB 3.32Å; R43-S47 PolarHBondContact O-N 3.25Å; R43-S47 PolarHBondContact O-OG 3.38Å
44I94.1Very high87.8Confident51 Ų5162 Ų6226%0.26232%0.324SS..Hα-helixtrans-63-45.6174.9-69167.7000109.4L22 T40 I41 Q42 D46 S47 W48L22-I44 HydrophobicContact CD1-CD1 3.97Å; L22-I44 HydrophobicContact CD1-CG2 4.34Å; T40-I44 HydrophobicContact CG2-CD1 4.21Å; T40-I44 WeakPolarHBondContact O-CG1 3.23Å; T40-I44 PolarHBondContact O-N 3.46Å; I41-I44 WeakPolarHBondContact O-CB 3.49Å; I41-I44 PolarHBondContact O-N 2.93Å; I41-I44 VanDerWaalsContact O-N 3.16Å; Q42-I44 VanDerWaalsContact C-N 3.32Å; Q42-I44 PolarHBondContact O-N 2.78Å; I44-D46 PolarHBondContact O-N 2.94Å; I44-S47 WeakPolarHBondContact O-CB 3.49Å; I44-S47 PolarHBondContact O-N 3.09Å; I44-W48 HydrophobicContact CG2-CD2 3.76Å; I44-W48 HydrophobicContact CG2-CE3 4.17Å; I44-W48 HydrophobicContact CG2-CG 4.32Å; I44-W48 HydrophobicContact CG2-CH2 3.99Å; I44-W48 HydrophobicContact CG2-CZ2 3.54Å; I44-W48 HydrophobicContact CG2-CZ3 4.26Å; I44-W48 WeakPolarHBondContact O-CB 3.42Å; I44-W48 VanDerWaalsContact O-CG 3.28Å; I44-W48 PolarHBondContact O-N 2.82Å
45F93.9Very high85.6Confident0 Ų067.1 Ų67.10%036%0.359CS..Hα-helixtrans-65.5-40.3179.9-79.927.5000111.8L22 I41 Q42 R43 S47 W48 Y49 Q84 L88 I107 L111L22-F45 HydrophobicContact CD2-CE1 3.74Å; L22-F45 HydrophobicContact CD2-CZ 4.45Å; I41-F45 HydrophobicContact CG2-CD1 4.27Å; I41-F45 HydrophobicContact CG2-CE1 4.01Å; I41-F45 HydrophobicContact CG2-CZ 4.3Å; I41-F45 WeakPolarHBondContact O-CD1 3.5Å; I41-F45 PolarHBondContact O-N 3.11Å; Q42-F45 PolarHBondContact O-N 3.35Å; Q42-F45 VanDerWaalsContact O-N 3.16Å; R43-F45 VanDerWaalsContact C-N 3.34Å; F45-S47 VanDerWaalsContact C-N 3.34Å; F45-S47 PolarHBondContact O-N 2.64Å; F45-W48 HydrophobicContact CD1-CE3 4.17Å; F45-W48 HydrophobicContact CD1-CZ3 4.31Å; F45-W48 HydrophobicContact CE1-CE3 4.37Å; F45-W48 HydrophobicContact CE1-CZ3 4.08Å; F45-W48 PolarHBondContact O-N 2.67Å; F45-Y49 WeakPolarHBondContact O-CB 3.41Å; F45-Y49 PolarHBondContact O-N 3.22Å; F45-Q84 HydrophobicContact CE1-CB 4.49Å; F45-Q84 HydrophobicContact CE1-CG 4.32Å; F45-Q84 HydrophobicContact CZ-CB 3.73Å; F45-Q84 HydrophobicContact CZ-CG 4.03Å; F45-L88 HydrophobicContact CE2-CD1 3.55Å; F45-L88 HydrophobicContact CZ-CD1 3.94Å; F45-I107 HydrophobicContact CD2-CG2 3.6Å; F45-I107 HydrophobicContact CE2-CG2 3.63Å; F45-L111 HydrophobicContact CD2-CD1 3.96Å; F45-L111 HydrophobicContact CD2-CD2 3.94Å; F45-L111 HydrophobicContact CD2-CG 4.19Å; F45-L111 HydrophobicContact CE2-CD1 3.87Å
46D92Very high83.3Confident48 Ų4864.4 Ų64.426%0.25736%0.359SS..Hα-helixtrans-59.4-46.2172.5-66.7-27.9000111Q42 I44 W48 Y49 F50 K115Q42-D46 PolarHBondContact NE2-OD1 3.21Å; Q42-D46 VanDerWaalsContact O-CG 3.28Å; Q42-D46 PolarHBondContact O-N 2.94Å; I44-D46 PolarHBondContact O-N 2.94Å; D46-W48 VanDerWaalsContact C-N 3.35Å; D46-W48 PolarHBondContact O-N 3.34Å; D46-Y49 PolarHBondContact O-N 3.33Å; D46-F50 HydrophobicContact CB-CD2 4.4Å; D46-F50 HydrophobicContact CB-CE2 4.48Å; D46-F50 WeakPolarHBondContact O-CD2 3.28Å; D46-F50 PolarHBondContact O-N 3.39Å; D46-K115 VanDerWaalsContact OD1-CE 3.28Å; D46-K115 WeakPolarHBondContact OD1-CE 3.47Å; D46-K115 IonicContact OD1-NZ 2.64Å; D46-K115 PolarHBondContact OD1-NZ 3.2Å
47S89.8Confident81.1Confident52 Ų5260.7 Ų60.736%0.36435%0.346SS..Hα-helixtrans-64.1-39.3178.9-56.60000112.2R43 I44 F45 Y49 G51R43-S47 WeakPolarHBondContact O-CB 3.32Å; R43-S47 PolarHBondContact O-N 3.25Å; R43-S47 PolarHBondContact O-OG 3.38Å; I44-S47 WeakPolarHBondContact O-CB 3.49Å; I44-S47 PolarHBondContact O-N 3.09Å; F45-S47 VanDerWaalsContact C-N 3.34Å; F45-S47 PolarHBondContact O-N 2.64Å; S47-Y49 VanDerWaalsContact C-N 3.34Å; S47-G51 CarbonylContact O-C 3.32Å; S47-G51 VanDerWaalsContact O-CA 3.31Å; S47-G51 WeakPolarHBondContact O-CA 3.36Å; S47-G51 PolarHBondContact O-N 3.3Å
48W90.6Very high79Confident33 Ų3362.2 Ų62.213%0.12536%0.358CS..Hα-helixtrans-69.3-33176.3-70.2-0.3000112.4L22 I44 F45 D46 S76 M77 L80 I81 Q84L22-W48 HydrophobicContact CD1-CH2 4.26Å; L22-W48 HydrophobicContact CD2-CH2 3.6Å; L22-W48 HydrophobicContact CD2-CZ3 3.78Å; I44-W48 HydrophobicContact CG2-CD2 3.76Å; I44-W48 HydrophobicContact CG2-CE3 4.17Å; I44-W48 HydrophobicContact CG2-CG 4.32Å; I44-W48 HydrophobicContact CG2-CH2 3.99Å; I44-W48 HydrophobicContact CG2-CZ2 3.54Å; I44-W48 HydrophobicContact CG2-CZ3 4.26Å; I44-W48 WeakPolarHBondContact O-CB 3.42Å; I44-W48 VanDerWaalsContact O-CG 3.28Å; I44-W48 PolarHBondContact O-N 2.82Å; F45-W48 HydrophobicContact CD1-CE3 4.17Å; F45-W48 HydrophobicContact CD1-CZ3 4.31Å; F45-W48 HydrophobicContact CE1-CE3 4.37Å; F45-W48 HydrophobicContact CE1-CZ3 4.08Å; F45-W48 PolarHBondContact O-N 2.67Å; D46-W48 VanDerWaalsContact C-N 3.35Å; D46-W48 PolarHBondContact O-N 3.34Å; W48-S76 CarbonylContact O-C 3.02Å; W48-S76 WeakPolarHBondContact O-CA 3.07Å; W48-M77 HydrophobicContact CB-CB 4.13Å; W48-M77 HydrophobicContact CD2-CE 4.25Å; W48-M77 HydrophobicContact CG-CB 4.19Å; W48-M77 HydrophobicContact CG-CE 3.75Å; W48-M77 PolarHBondContact O-N 2.89Å; W48-L80 HydrophobicContact CD2-CB 4.1Å; W48-L80 HydrophobicContact CD2-CD1 4.24Å; W48-L80 HydrophobicContact CE3-CB 3.63Å; W48-L80 HydrophobicContact CH2-CB 3.97Å; W48-L80 HydrophobicContact CH2-CD1 4.17Å; W48-L80 HydrophobicContact CZ2-CB 4.42Å; W48-L80 HydrophobicContact CZ2-CD1 3.87Å; W48-L80 HydrophobicContact CZ3-CB 3.57Å; W48-L80 HydrophobicContact CZ3-CD1 4.49Å; W48-I81 HydrophobicContact CB-CD1 3.94Å; W48-I81 HydrophobicContact CB-CG1 3.95Å; W48-I81 HydrophobicContact CE3-CG1 3.93Å; W48-Q84 HydrophobicContact CZ3-CG 4.45Å
49Y89.6Confident77.1Confident66 Ų6663 Ų6326%0.25937%0.368SS..Hα-helixtrans-74.4-50.5178.3-177.6-103.6000112.2F45 D46 S47 G51 S76 H78 K115 F117F45-Y49 WeakPolarHBondContact O-CB 3.41Å; F45-Y49 PolarHBondContact O-N 3.22Å; D46-Y49 PolarHBondContact O-N 3.33Å; S47-Y49 VanDerWaalsContact C-N 3.34Å; Y49-G51 VanDerWaalsContact C-N 3.27Å; Y49-G51 PolarHBondContact O-N 3.36Å; Y49-S76 WeakPolarHBondContact O-CB 3.4Å; Y49-H78 AromaticContact CD2-CD2 3.8Å; Y49-H78 AromaticContact CD2-NE2 3.28Å; Y49-H78 VanDerWaalsContact CD2-NE2 3.28Å; Y49-H78 WeakPolarHBondContact CD2-NE2 3.19Å; Y49-H78 AromaticContact CE2-NE2 3.63Å; Y49-K115 HydrophobicContact CD1-CD 3.98Å; Y49-K115 HydrophobicContact CD1-CG 3.81Å; Y49-K115 HydrophobicContact CD2-CB 3.85Å; Y49-K115 HydrophobicContact CD2-CD 3.91Å; Y49-K115 HydrophobicContact CD2-CG 3.92Å; Y49-K115 HydrophobicContact CE1-CB 4.26Å; Y49-K115 HydrophobicContact CE1-CD 4.49Å; Y49-K115 HydrophobicContact CE1-CG 3.82Å; Y49-K115 HydrophobicContact CE2-CB 3.54Å; Y49-K115 HydrophobicContact CE2-CD 4.41Å; Y49-K115 HydrophobicContact CE2-CG 3.92Å; Y49-K115 WeakPolarHBondContact CE2-O 3.34Å; Y49-K115 HydrophobicContact CG-CB 4.31Å; Y49-K115 HydrophobicContact CG-CD 3.65Å; Y49-K115 HydrophobicContact CG-CG 3.85Å; Y49-K115 PolarHBondContact OH-O 3.34Å; Y49-F117 AromaticContact CD2-CE2 3.67Å; Y49-F117 HydrophobicContact CD2-CE2 3.67Å; Y49-F117 HydrophobicContact CD2-CZ 4.27Å; Y49-F117 AromaticContact CE2-CE2 3.93Å; Y49-F117 HydrophobicContact CE2-CE2 3.93Å
50F86Confident75.1Confident151 Ų15167.2 Ų67.266%0.66238%0.382SS*.Hα-helixtrans-78.7-11.4-179-64.8-64.2000113.5D46D46-F50 HydrophobicContact CB-CD2 4.4Å; D46-F50 HydrophobicContact CB-CE2 4.48Å; D46-F50 WeakPolarHBondContact O-CD2 3.28Å; D46-F50 PolarHBondContact O-N 3.39Å
51G75.8Confident73.2Confident8 Ų865.6 Ų65.68%0.08237%0.371CS..  trans77.3162.2-171.900000112.4S47 Y49 G53S47-G51 CarbonylContact O-C 3.32Å; S47-G51 VanDerWaalsContact O-CA 3.31Å; S47-G51 WeakPolarHBondContact O-CA 3.36Å; S47-G51 PolarHBondContact O-N 3.3Å; Y49-G51 VanDerWaalsContact C-N 3.27Å; Y49-G51 PolarHBondContact O-N 3.36Å; G51-G53 VanDerWaalsContact C-N 3.35Å; G51-G53 PolarHBondContact O-N 2.92Å
52F65.3Low71.3Confident124 Ų12472 Ų7254%0.54440%0.401SS..  trans-72.688.7177.3-74.2-76.9000111.1S54 M77F52-S54 PolarHBondContact O-N 3.37Å; F52-M77 HydrophobicContact CD2-CE 4.44Å; F52-M77 HydrophobicContact CE2-CE 3.55Å; F52-M77 HydrophobicContact CE2-SD 4.46Å; F52-M77 HydrophobicContact CZ-CE 4.26Å
53G50.4Low69.6Low71 Ų7174 Ų7473%0.73242%0.416SS*.  trans-75.260.7171.400000112.8G51G51-G53 VanDerWaalsContact C-N 3.35Å; G51-G53 PolarHBondContact O-N 2.92Å
54S50.2Low67.8Low59 Ų5967.8 Ų67.841%0.41340%0.396SS..  trans-75.3131.9155.41750000107.7F52 A56 V57 A58F52-S54 PolarHBondContact O-N 3.37Å; S54-A56 PolarHBondContact O-N 3Å; S54-V57 PolarHBondContact O-N 3.27Å; S54-A58 PolarHBondContact O-N 2.86Å; S54-A58 VanDerWaalsContact O-N 3.09Å
55P50.3Low66.1Low114 Ų11465.8 Ų65.874%0.7439%0.387SS*.Hα-helixtrans-51.3-29.9176-27.233.6000113.5G59P55-G59 PolarHBondContact O-N 3.35Å; P55-G59 VanDerWaalsContact O-N 3.13Å
56A48.8Very low64.6Low77 Ų7772.4 Ų72.464%0.63642%0.422SS*.Hα-helixtrans-68.4-34.3176.300000113.3S54 F60S54-A56 PolarHBondContact O-N 3Å; A56-F60 PolarHBondContact O-N 3.5Å
57V50.6Low63.1Low59 Ų5976.7 Ų76.736%0.35845%0.446SS..Hα-helixtrans-78.7-36.6177.7176.20000110.4S54 F60 L61S54-V57 PolarHBondContact O-N 3.27Å; V57-F60 PolarHBondContact O-N 2.78Å; V57-L61 HydrophobicContact CG1-CD1 3.81Å; V57-L61 HydrophobicContact CG1-CG 4.26Å; V57-L61 WeakPolarHBondContact O-CB 3.39Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.24Å; V57-L61 PolarHBondContact O-N 3.45Å
58A53.6Low61.6Low49 Ų4978 Ų7841%0.40545%0.451SS..Hα-helixtrans-60.5-45.5174.200000112.2S54 F60 L61 E62S54-A58 PolarHBondContact O-N 2.86Å; S54-A58 VanDerWaalsContact O-N 3.09Å; A58-F60 VanDerWaalsContact C-N 3.35Å; A58-F60 PolarHBondContact O-N 3.49Å; A58-L61 PolarHBondContact O-N 3.2Å; A58-E62 PolarHBondContact O-N 2.97Å
59G56.9Low60.2Low32 Ų3280 Ų8033%0.3348%0.483SS..Hα-helixtrans-63.7-38.2175.700000113.1P55 E62 T63P55-G59 PolarHBondContact O-N 3.35Å; P55-G59 VanDerWaalsContact O-N 3.13Å; G59-E62 PolarHBondContact O-N 2.91Å; G59-T63 PolarHBondContact O-N 3.17Å; G59-T63 VanDerWaalsContact O-N 3.1Å; G59-T63 PolarHBondContact O-OG1 3.36Å
60F55.4Low58.6Low143 Ų14379.7 Ų79.763%0.62750%0.5SS*.Hα-helixtrans-65.8-44.3175.4-171.8-98.7000111.7A56 V57 A58 E62 T63 V64A56-F60 PolarHBondContact O-N 3.5Å; V57-F60 PolarHBondContact O-N 2.78Å; A58-F60 VanDerWaalsContact C-N 3.35Å; A58-F60 PolarHBondContact O-N 3.49Å; F60-E62 PolarHBondContact O-N 3.34Å; F60-T63 WeakPolarHBondContact O-CB 3.24Å; F60-T63 PolarHBondContact O-N 3.15Å; F60-T63 VanDerWaalsContact O-N 3.17Å; F60-V64 HydrophobicContact CD1-CG2 4.04Å; F60-V64 HydrophobicContact CE1-CG2 3.73Å; F60-V64 HydrophobicContact CZ-CG2 4.1Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.37Å
61L56.2Low56.8Low31 Ų3175.5 Ų75.516%0.16249%0.493CS..Hα-helixtrans-65.3-35.7176.5-70.8165.8000112.9V57 A58 T63 V64 A65 L73 T75V57-L61 HydrophobicContact CG1-CD1 3.81Å; V57-L61 HydrophobicContact CG1-CG 4.26Å; V57-L61 WeakPolarHBondContact O-CB 3.39Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.24Å; V57-L61 PolarHBondContact O-N 3.45Å; A58-L61 PolarHBondContact O-N 3.2Å; L61-T63 VanDerWaalsContact C-N 3.31Å; L61-V64 PolarHBondContact O-N 3.03Å; L61-A65 WeakPolarHBondContact O-CB 3.5Å; L61-A65 PolarHBondContact O-N 3.36Å; L61-L73 HydrophobicContact CD2-CB 3.75Å; L61-T75 HydrophobicContact CD1-CG2 3.5Å; L61-T75 HydrophobicContact CD2-CG2 4.06Å; L61-T75 HydrophobicContact CG-CG2 4.38Å
62E57.7Low55.7Low140 Ų14080 Ų8065%0.65452%0.518SS*.Hα-helixtrans-62.9-39.2171.3-90-174.9153.100111.7A58 G59 F60 N66A58-E62 PolarHBondContact O-N 2.97Å; G59-E62 PolarHBondContact O-N 2.91Å; F60-E62 PolarHBondContact O-N 3.34Å; E62-N66 PolarHBondContact O-N 3.35Å; E62-N66 PolarHBondContact O-ND2 3.43Å
63T59.9Low55.3Low82 Ų8279.3 Ų79.350%0.50352%0.52SS..Hα-helixtrans-66.1-45.5177.3-37.20000110.5G59 F60 L61 N66 D67G59-T63 PolarHBondContact O-N 3.17Å; G59-T63 VanDerWaalsContact O-N 3.1Å; G59-T63 PolarHBondContact O-OG1 3.36Å; F60-T63 WeakPolarHBondContact O-CB 3.24Å; F60-T63 PolarHBondContact O-N 3.15Å; F60-T63 VanDerWaalsContact O-N 3.17Å; L61-T63 VanDerWaalsContact C-N 3.31Å; T63-N66 PolarHBondContact O-N 3.35Å; T63-D67 PolarHBondContact O-N 2.9Å
64V57.2Low55.8Low34 Ų3481.7 Ų81.721%0.20652%0.516CS..Hα-helixtrans-67.5-38.3178.1177.20000111.7F60 L61 N66 D67 T68 L73F60-V64 HydrophobicContact CD1-CG2 4.04Å; F60-V64 HydrophobicContact CE1-CG2 3.73Å; F60-V64 HydrophobicContact CZ-CG2 4.1Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.37Å; L61-V64 PolarHBondContact O-N 3.03Å; V64-N66 VanDerWaalsContact C-N 3.33Å; V64-N66 PolarHBondContact O-N 3.02Å; V64-D67 PolarHBondContact O-N 3.18Å; V64-D67 VanDerWaalsContact O-N 3.15Å; V64-T68 HydrophobicContact CG1-CG2 4.37Å; V64-T68 PolarHBondContact O-N 3.36Å; V64-T68 PolarHBondContact O-OG1 3.44Å; V64-L73 HydrophobicContact CG1-CD1 3.99Å
65A58.4Low56.7Low9 Ų981.5 Ų81.57%0.07451%0.512CS..Hα-helixtrans-65.5-35.6176.400000112L61 D67 T68 G69 G70 T72L61-A65 WeakPolarHBondContact O-CB 3.5Å; L61-A65 PolarHBondContact O-N 3.36Å; A65-D67 VanDerWaalsContact C-N 3.32Å; A65-T68 WeakPolarHBondContact CA-OG1 3.44Å; A65-T68 PolarHBondContact O-N 2.97Å; A65-G69 PolarHBondContact O-N 2.97Å; A65-G70 WeakPolarHBondContact O-CA 3.37Å; A65-G70 PolarHBondContact O-N 2.94Å; A65-T72 HydrophobicContact CB-CG2 3.79Å
66N61.1Low57.8Low138 Ų13877 Ų7774%0.73848%0.484SS*.Hα-helixtrans-64.9-36.4171.7-79.6-29.3000112E62 T63 V64E62-N66 PolarHBondContact O-N 3.35Å; E62-N66 PolarHBondContact O-ND2 3.43Å; T63-N66 PolarHBondContact O-N 3.35Å; V64-N66 VanDerWaalsContact C-N 3.33Å; V64-N66 PolarHBondContact O-N 3.02Å
67D61.5Low59.5Low139 Ų13976.1 Ų76.174%0.74347%0.467SS*.Hα-helixtrans-76.9-24.8178.3-71.4-20.6000113.5T63 V64 A65T63-D67 PolarHBondContact O-N 2.9Å; V64-D67 PolarHBondContact O-N 3.18Å; V64-D67 VanDerWaalsContact O-N 3.15Å; A65-D67 VanDerWaalsContact C-N 3.32Å
68T58.1Low61.3Low78 Ų7876.4 Ų76.448%0.47946%0.464SS..THydrogen-bonded Turntrans-99.78.6179.455.20000114.6V64 A65 A71V64-T68 HydrophobicContact CG1-CG2 4.37Å; V64-T68 PolarHBondContact O-N 3.36Å; V64-T68 PolarHBondContact O-OG1 3.44Å; A65-T68 WeakPolarHBondContact CA-OG1 3.44Å; A65-T68 PolarHBondContact O-N 2.97Å; T68-A71 PolarHBondContact OG1-O 2.92Å
69G60.9Low62.8Low77 Ų7776.7 Ų76.779%0.79447%0.472SS*.THydrogen-bonded Turntrans74.431.5178.400000114.3A65A65-G69 PolarHBondContact O-N 2.97Å
70G57.2Low64.4Low59 Ų5978.1 Ų78.161%0.60847%0.472SS*.SBendtrans99.83.6174.700000115.1A65 T72A65-G70 WeakPolarHBondContact O-CA 3.37Å; A65-G70 PolarHBondContact O-N 2.94Å; G70-T72 PolarHBondContact O-N 3.46Å
71A47.3Very low66.1Low63 Ų6371.3 Ų71.352%0.52144%0.442SS..  trans-83.796.7175.700000110.5T68T68-A71 PolarHBondContact OG1-O 2.92Å
72T53.8Low67.7Low101 Ų10173.4 Ų73.462%0.6246%0.456SS*.  trans-68.7131.4168.952.40000109.6A65 G70 D74A65-T72 HydrophobicContact CB-CG2 3.79Å; G70-T72 PolarHBondContact O-N 3.46Å; T72-D74 PolarHBondContact O-N 3.1Å
73L56.4Low69.2Low111 Ų11169.8 Ų69.858%0.58144%0.44SS*.  trans-60.5125.6168.6-97.496.7000108.8L61 V64 T75L61-L73 HydrophobicContact CD2-CB 3.75Å; V64-L73 HydrophobicContact CG1-CD1 3.99Å; L73-T75 PolarHBondContact O-N 3.25Å
74D60.8Low70.7Confident120 Ų12066 Ų6664%0.64242%0.416SS*.  trans-62.6106.9169.4-1743.7000108.6T72 S76T72-D74 PolarHBondContact O-N 3.1Å; D74-S76 VanDerWaalsContact C-N 3.32Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.4Å; D74-S76 PolarHBondContact OD1-OG 3.16Å; D74-S76 PolarHBondContact OD2-OG 3.39Å
75T68.4Low72.4Confident55 Ų5564.8 Ų64.834%0.33741%0.408SS..  trans-91.1-0.3175.355.60000112.6L61 L73L61-T75 HydrophobicContact CD1-CG2 3.5Å; L61-T75 HydrophobicContact CD2-CG2 4.06Å; L61-T75 HydrophobicContact CG-CG2 4.38Å; L73-T75 PolarHBondContact O-N 3.25Å
76S73.6Confident73.9Confident21 Ų2165.8 Ų65.815%0.14741%0.414CS..  trans-66.9145.3171.678.50000109.6W48 Y49 D74 H78W48-S76 CarbonylContact O-C 3.02Å; W48-S76 WeakPolarHBondContact O-CA 3.07Å; Y49-S76 WeakPolarHBondContact O-CB 3.4Å; D74-S76 VanDerWaalsContact C-N 3.32Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.4Å; D74-S76 PolarHBondContact OD1-OG 3.16Å; D74-S76 PolarHBondContact OD2-OG 3.39Å; S76-H78 PolarHBondContact OG-CE1 3.17Å; S76-H78 PolarHBondContact OG-ND1 3.47Å; S76-H78 VanDerWaalsContact OG-ND1 3.15Å
77M84.6Confident75.4Confident58 Ų5859.3 Ų59.329%0.28638%0.379SS..  trans-109.945.9177.5-61.7-162.7-60.500109.9W48 F52 G79 L80 I81W48-M77 HydrophobicContact CB-CB 4.13Å; W48-M77 HydrophobicContact CD2-CE 4.25Å; W48-M77 HydrophobicContact CG-CB 4.19Å; W48-M77 HydrophobicContact CG-CE 3.75Å; W48-M77 PolarHBondContact O-N 2.89Å; F52-M77 HydrophobicContact CD2-CE 4.44Å; F52-M77 HydrophobicContact CE2-CE 3.55Å; F52-M77 HydrophobicContact CE2-SD 4.46Å; F52-M77 HydrophobicContact CZ-CE 4.26Å; M77-G79 PolarHBondContact O-N 3.28Å; M77-G79 VanDerWaalsContact O-N 3.11Å; M77-L80 HydrophobicContact CB-CB 4.36Å; M77-L80 HydrophobicContact CB-CD1 3.9Å; M77-L80 HydrophobicContact CB-CG 4.1Å; M77-L80 HydrophobicContact CE-CD1 3.78Å; M77-L80 HydrophobicContact CG-CD1 4.41Å; M77-L80 WeakPolarHBondContact O-CB 3.44Å; M77-L80 PolarHBondContact O-N 3.23Å; M77-L80 HydrophobicContact SD-CD1 3.74Å; M77-I81 PolarHBondContact O-N 3.4Å
78H88.3Confident77Confident64 Ų6452.7 Ų52.730%0.29634%0.344SS..Hα-helixtrans-54.6-30.3-179.8-66.6159.5000113.6Y49 S76 L80 I81 T82 F117Y49-H78 AromaticContact CD2-CD2 3.8Å; Y49-H78 AromaticContact CD2-NE2 3.28Å; Y49-H78 VanDerWaalsContact CD2-NE2 3.28Å; Y49-H78 WeakPolarHBondContact CD2-NE2 3.19Å; Y49-H78 AromaticContact CE2-NE2 3.63Å; S76-H78 PolarHBondContact OG-CE1 3.17Å; S76-H78 PolarHBondContact OG-ND1 3.47Å; S76-H78 VanDerWaalsContact OG-ND1 3.15Å; H78-L80 VanDerWaalsContact C-N 3.34Å; H78-L80 PolarHBondContact O-N 3.47Å; H78-I81 PolarHBondContact O-N 2.96Å; H78-T82 WeakPolarHBondContact O-CB 3.14Å; H78-T82 PolarHBondContact O-N 2.98Å; H78-T82 PolarHBondContact O-OG1 3.27Å; H78-F117 HydrophobicContact CB-CE1 4.33Å; H78-F117 HydrophobicContact CB-CZ 4.16Å; H78-F117 AromaticContact CD2-CZ 3.75Å
79G86.2Confident78.6Confident55 Ų5549 Ų4957%0.56732%0.321SS*.Hα-helixtrans-60.6-41.2173.300000112.7M77 T82 E83M77-G79 PolarHBondContact O-N 3.28Å; M77-G79 VanDerWaalsContact O-N 3.11Å; G79-T82 PolarHBondContact O-N 3.16Å; G79-E83 WeakPolarHBondContact O-CB 3.29Å; G79-E83 PolarHBondContact O-N 3.01Å
80L88.6Confident80.1Confident62 Ų6245.8 Ų45.833%0.32529%0.285SS..Hα-helixtrans-67.2-38.4176.6-61-176.6000111.4W48 M77 H78 E83 Q84W48-L80 HydrophobicContact CD2-CB 4.1Å; W48-L80 HydrophobicContact CD2-CD1 4.24Å; W48-L80 HydrophobicContact CE3-CB 3.63Å; W48-L80 HydrophobicContact CH2-CB 3.97Å; W48-L80 HydrophobicContact CH2-CD1 4.17Å; W48-L80 HydrophobicContact CZ2-CB 4.42Å; W48-L80 HydrophobicContact CZ2-CD1 3.87Å; W48-L80 HydrophobicContact CZ3-CB 3.57Å; W48-L80 HydrophobicContact CZ3-CD1 4.49Å; M77-L80 HydrophobicContact CB-CB 4.36Å; M77-L80 HydrophobicContact CB-CD1 3.9Å; M77-L80 HydrophobicContact CB-CG 4.1Å; M77-L80 HydrophobicContact CE-CD1 3.78Å; M77-L80 HydrophobicContact CG-CD1 4.41Å; M77-L80 WeakPolarHBondContact O-CB 3.44Å; M77-L80 PolarHBondContact O-N 3.23Å; M77-L80 HydrophobicContact SD-CD1 3.74Å; H78-L80 VanDerWaalsContact C-N 3.34Å; H78-L80 PolarHBondContact O-N 3.47Å; L80-E83 PolarHBondContact O-N 3.5Å; L80-Q84 WeakPolarHBondContact O-CG 3.47Å
81I92Very high81.9Confident0 Ų043 Ų430%026%0.257CS..Hα-helixtrans-62.7-48.3174.6-62.6174.4000110.2W48 M77 H78 E83 Q84 I85 L111 F117W48-I81 HydrophobicContact CB-CD1 3.94Å; W48-I81 HydrophobicContact CB-CG1 3.95Å; W48-I81 HydrophobicContact CE3-CG1 3.93Å; M77-I81 PolarHBondContact O-N 3.4Å; H78-I81 PolarHBondContact O-N 2.96Å; I81-E83 PolarHBondContact O-N 3.11Å; I81-Q84 PolarHBondContact O-N 3.29Å; I81-I85 PolarHBondContact O-N 2.97Å; I81-L111 HydrophobicContact CG2-CD1 3.89Å; I81-L111 HydrophobicContact CG2-CD2 3.55Å; I81-L111 HydrophobicContact CG2-CG 4.38Å; I81-F117 HydrophobicContact CB-CE1 4Å; I81-F117 HydrophobicContact CB-CZ 3.89Å; I81-F117 HydrophobicContact CD1-CE2 4.09Å; I81-F117 HydrophobicContact CD1-CZ 3.77Å; I81-F117 HydrophobicContact CG1-CZ 4.43Å; I81-F117 HydrophobicContact CG2-CD1 4.15Å; I81-F117 HydrophobicContact CG2-CD2 4.43Å; I81-F117 HydrophobicContact CG2-CE1 3.73Å; I81-F117 HydrophobicContact CG2-CE2 4.03Å; I81-F117 HydrophobicContact CG2-CG 4.49Å; I81-F117 HydrophobicContact CG2-CZ 3.67Å
82T89.8Confident84.1Confident75 Ų7540.7 Ų40.746%0.4624%0.235SC..Hα-helixtrans-58.7-38.4-178.8-54.70000111.5H78 G79 Q84 I85H78-T82 WeakPolarHBondContact O-CB 3.14Å; H78-T82 PolarHBondContact O-N 2.98Å; H78-T82 PolarHBondContact O-OG1 3.27Å; G79-T82 PolarHBondContact O-N 3.16Å; T82-Q84 PolarHBondContact O-N 3.02Å; T82-I85 PolarHBondContact O-N 2.88Å
83E88.1Confident85.8Confident65 Ų6539.2 Ų39.230%0.30422%0.221SC..Hα-helixtrans-61.6-27.9176.6-171.6178.58000113.6R15 S19 G79 L80 I81R15-E83 HydrophobicContact CG-CG 4.35Å; R15-E83 IonicContact NE-OE1 2.86Å; S19-E83 VanDerWaalsContact CB-OE1 3.29Å; S19-E83 WeakPolarHBondContact CB-OE1 3.39Å; S19-E83 PolarHBondContact OG-OE1 3.08Å; G79-E83 WeakPolarHBondContact O-CB 3.29Å; G79-E83 PolarHBondContact O-N 3.01Å; L80-E83 PolarHBondContact O-N 3.5Å; I81-E83 PolarHBondContact O-N 3.11Å
84Q92.7Very high87.5Confident1 Ų134.5 Ų34.51%0.00520%0.197CC..Hα-helixtrans-91.8-16.2-177.8-53.7-55.9-43.600114.1R15 S19 L22 F45 W48 L80 I81 T82 D87 L88R15-Q84 VanDerWaalsContact NH2-NE2 3.14Å; S19-Q84 PolarHBondContact O-OE1 3.48Å; S19-Q84 PolarHBondContact OG-NE2 3.49Å; S19-Q84 VanDerWaalsContact OG-NE2 3.08Å; L22-Q84 HydrophobicContact CD2-CG 3.6Å; F45-Q84 HydrophobicContact CE1-CB 4.49Å; F45-Q84 HydrophobicContact CE1-CG 4.32Å; F45-Q84 HydrophobicContact CZ-CB 3.73Å; F45-Q84 HydrophobicContact CZ-CG 4.03Å; W48-Q84 HydrophobicContact CZ3-CG 4.45Å; L80-Q84 WeakPolarHBondContact O-CG 3.47Å; I81-Q84 PolarHBondContact O-N 3.29Å; T82-Q84 PolarHBondContact O-N 3.02Å; Q84-D87 WeakPolarHBondContact O-CB 3.39Å; Q84-D87 PolarHBondContact O-N 3.42Å; Q84-D87 VanDerWaalsContact O-N 3.11Å; Q84-L88 PolarHBondContact O-N 3.32Å
85I92.9Very high89.1Confident9 Ų928.8 Ų28.85%0.04617%0.166CC..Hα-helixtrans-54.8-45.9-178.7-69.2169.9000111.9I81 T82 D87 L88 L89 L108 L111 F117 I119I81-I85 PolarHBondContact O-N 2.97Å; T82-I85 PolarHBondContact O-N 2.88Å; I85-D87 VanDerWaalsContact C-N 3.32Å; I85-D87 PolarHBondContact O-N 3.17Å; I85-L88 PolarHBondContact O-N 3.27Å; I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 2.46Å; I85-L108 HydrophobicContact CG2-CD2 4.33Å; I85-L111 HydrophobicContact CG1-CD1 4.17Å; I85-F117 HydrophobicContact CD1-CB 4.34Å; I85-F117 HydrophobicContact CD1-CD1 4.13Å; I85-I119 HydrophobicContact CD1-CD1 3.79Å; I85-I119 HydrophobicContact CG1-CD1 4.09Å; I85-I119 HydrophobicContact CG2-CD1 4.05Å; I85-I119 HydrophobicContact CG2-CG2 4.43Å
86P90.1Very high90.3Very high30 Ų3026.1 Ų26.120%0.19515%0.15CC..Hα-helixtrans-63.7-36.6178.5-21.333.8000112.9L89 R90 D318 I324P86-L89 PolarHBondContact O-N 2.81Å; P86-R90 PolarHBondContact O-N 3.22Å; P86-D318 HydrophobicContact CB-CB 4.06Å; P86-I324 HydrophobicContact CB-CD1 4.35Å
87D92.1Very high91.3Very high2 Ų225.2 Ų25.21%0.01114%0.144CC..Hα-helixtrans-66.3-42.5176.8-72.9-20.1000111.3R15 L23 Q84 I85 R90 I91 R226R15-D87 IonicContact CZ-OD2 3.97Å; R15-D87 IonicContact NH1-OD1 2.83Å; R15-D87 IonicContact NH1-OD2 3.11Å; R15-D87 PolarHBondContact NH1-OD2 3.1Å; R15-D87 IonicContact NH2-OD2 2.74Å; R15-D87 PolarHBondContact NH2-OD2 2.96Å; L23-D87 HydrophobicContact CD1-CB 3.7Å; Q84-D87 WeakPolarHBondContact O-CB 3.39Å; Q84-D87 PolarHBondContact O-N 3.42Å; Q84-D87 VanDerWaalsContact O-N 3.11Å; I85-D87 VanDerWaalsContact C-N 3.32Å; I85-D87 PolarHBondContact O-N 3.17Å; D87-R90 WeakPolarHBondContact O-CB 3.47Å; D87-R90 PolarHBondContact O-N 2.89Å; D87-I91 VanDerWaalsContact O-CG1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.39Å; D87-I91 PolarHBondContact O-N 3.38Å; D87-R226 IonicContact OD1-CZ 3.72Å; D87-R226 IonicContact OD1-NH1 2.78Å; D87-R226 PolarHBondContact OD1-NH1 2.97Å; D87-R226 IonicContact OD1-NH2 3.76Å; D87-R226 PolarHBondContact OD1-NH2 3.47Å; D87-R226 IonicContact OD2-CZ 2.96Å; D87-R226 IonicContact OD2-NH1 3.12Å; D87-R226 PolarHBondContact OD2-NH1 3.34Å; D87-R226 IonicContact OD2-NH2 2.64Å; D87-R226 PolarHBondContact OD2-NH2 3.48Å
88L94.8Very high91.8Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-65-42175.6-76.5169000112.1L23 F45 Q84 I85 R90 I91 L92 A104 I107 L108 L111L23-L88 HydrophobicContact CD1-CD2 3.98Å; L23-L88 HydrophobicContact CD1-CG 3.97Å; L23-L88 HydrophobicContact CD2-CD2 4.21Å; F45-L88 HydrophobicContact CE2-CD1 3.55Å; F45-L88 HydrophobicContact CZ-CD1 3.94Å; Q84-L88 PolarHBondContact O-N 3.32Å; I85-L88 PolarHBondContact O-N 3.27Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.25Å; L88-I91 PolarHBondContact O-N 3.07Å; L88-L92 WeakPolarHBondContact O-CB 3.49Å; L88-L92 PolarHBondContact O-N 3.16Å; L88-A104 HydrophobicContact CD2-CB 4.19Å; L88-I107 HydrophobicContact CD1-CG2 3.72Å; L88-I107 HydrophobicContact CD2-CD1 4.3Å; L88-I107 HydrophobicContact CD2-CG2 4.47Å; L88-L108 HydrophobicContact CB-CD1 4.07Å; L88-L108 HydrophobicContact CB-CD2 3.83Å; L88-L108 HydrophobicContact CB-CG 3.91Å; L88-L108 HydrophobicContact CD1-CD2 4.2Å; L88-L108 HydrophobicContact CD1-CG 4.43Å; L88-L111 HydrophobicContact CD1-CD1 4.41Å
89L92.7Very high92.1Very high1 Ų123.8 Ų23.81%0.00514%0.144CC..Hα-helixtrans-60.2-43.7174.5-79.1172.8000111.2I85 P86 I91 L92 H93 L108 I119 I317 W366I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 2.46Å; P86-L89 PolarHBondContact O-N 2.81Å; L89-I91 PolarHBondContact O-N 2.95Å; L89-L92 WeakPolarHBondContact O-CB 3.46Å; L89-L92 PolarHBondContact O-N 3.21Å; L89-H93 PolarHBondContact O-CD2 3.09Å; L89-H93 PolarHBondContact O-N 3.22Å; L89-L108 HydrophobicContact CD2-CD1 3.93Å; L89-L108 HydrophobicContact CG-CD1 4.28Å; L89-I119 HydrophobicContact CD1-CG2 4.4Å; L89-I119 HydrophobicContact CD2-CG2 3.98Å; L89-I119 HydrophobicContact CG-CG2 4.4Å; L89-I317 HydrophobicContact CB-CG2 4.21Å; L89-W366 HydrophobicContact CD2-CH2 4.26Å
90R91.9Very high92.6Very high9 Ų921.2 Ų21.23%0.03412%0.117CC..Hα-helixtrans-59.2-47.2173.3-178.4-161.561.277.7-7111.1P86 D87 L88 L92 H93 T94 W162 G166 R167 I317 D318P86-R90 PolarHBondContact O-N 3.22Å; D87-R90 WeakPolarHBondContact O-CB 3.47Å; D87-R90 PolarHBondContact O-N 2.89Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.25Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-L92 PolarHBondContact O-N 3.24Å; R90-H93 PolarHBondContact O-N 2.95Å; R90-T94 HydrophobicContact CG-CG2 4.2Å; R90-T94 PolarHBondContact NH1-OG1 2.91Å; R90-T94 WeakPolarHBondContact O-CB 3.45Å; R90-T94 WeakPolarHBondContact O-CG2 3.49Å; R90-T94 PolarHBondContact O-N 3.47Å; R90-T94 PolarHBondContact O-OG1 3.36Å; R90-W162 VanDerWaalsContact NH1-CZ3 3.31Å; R90-G166 PolarHBondContact NH2-O 3.33Å; R90-R167 VanDerWaalsContact NH1-CB 3.27Å; R90-I317 HydrophobicContact CB-CB 4.24Å; R90-D318 HydrophobicContact CB-CB 4.39Å
91I94.6Very high92.9Very high2 Ų219.6 Ų19.61%0.0111%0.106CC..Hα-helixtrans-59.8-46.2180-68.1165000110.6L23 L26 D87 L88 L89 H93 T94 A95 I100 A104 W162L23-I91 HydrophobicContact CB-CD1 4Å; L23-I91 HydrophobicContact CD1-CD1 3.57Å; L23-I91 HydrophobicContact CG-CD1 4.39Å; L26-I91 HydrophobicContact CD1-CD1 4.12Å; L26-I91 HydrophobicContact CD1-CG2 4.46Å; D87-I91 VanDerWaalsContact O-CG1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.39Å; D87-I91 PolarHBondContact O-N 3.38Å; L88-I91 PolarHBondContact O-N 3.07Å; L89-I91 PolarHBondContact O-N 2.95Å; I91-H93 PolarHBondContact O-N 3.48Å; I91-T94 PolarHBondContact O-N 3.11Å; I91-A95 HydrophobicContact CG2-CB 4.1Å; I91-A95 WeakPolarHBondContact O-CB 3.26Å; I91-A95 PolarHBondContact O-N 3.44Å; I91-I100 HydrophobicContact CG2-CG2 3.51Å; I91-A104 HydrophobicContact CB-CB 4.13Å; I91-A104 HydrophobicContact CG2-CB 3.74Å; I91-W162 HydrophobicContact CB-CH2 4.22Å; I91-W162 HydrophobicContact CG1-CH2 3.83Å; I91-W162 HydrophobicContact CG1-CZ2 4.2Å; I91-W162 HydrophobicContact CG2-CH2 4.1Å; I91-W162 HydrophobicContact CG2-CZ2 4.18Å
92L93.9Very high93.1Very high13 Ų1321.7 Ų21.77%0.06812%0.121CC..Hα-helixtrans-53-40.9177.3174.463.4000112.8L88 L89 R90 R101 A104 R105 L108 W366L88-L92 WeakPolarHBondContact O-CB 3.49Å; L88-L92 PolarHBondContact O-N 3.16Å; L89-L92 WeakPolarHBondContact O-CB 3.46Å; L89-L92 PolarHBondContact O-N 3.21Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-L92 PolarHBondContact O-N 3.24Å; L92-R101 WeakPolarHBondContact CD1-O 3.46Å; L92-R101 VanDerWaalsContact O-CD 3.26Å; L92-R101 WeakPolarHBondContact O-CD 3.32Å; L92-R101 WeakPolarHBondContact O-CG 3.37Å; L92-A104 HydrophobicContact CB-CB 4.28Å; L92-R105 HydrophobicContact CD1-CB 3.78Å; L92-R105 HydrophobicContact CD1-CG 4.26Å; L92-L108 HydrophobicContact CB-CD1 4.4Å; L92-L108 HydrophobicContact CD2-CD1 4.02Å; L92-W366 HydrophobicContact CD2-CZ2 3.78Å
93H89.8Confident93.5Very high71 Ų7119 Ų1933%0.32911%0.106SC..Hα-helixtrans-92.9-24.7-174.6-71.7-66.4000115L89 R90 I91 T122 I317L89-H93 PolarHBondContact O-CD2 3.09Å; L89-H93 PolarHBondContact O-N 3.22Å; R90-H93 PolarHBondContact O-N 2.95Å; I91-H93 PolarHBondContact O-N 3.48Å; H93-T122 PolarHBondContact CE1-OG1 3.42Å; H93-T122 WeakPolarHBondContact NE2-CG2 3.32Å; H93-T122 PolarHBondContact NE2-OG1 3.38Å; H93-I317 HydrophobicContact CB-CD1 3.79Å
94T91.6Very high93.9Very high11 Ų1115.9 Ų15.97%0.0679%0.092CC..Hα-helixtrans-117.1-13.1-169.965.30000114.5R90 I91 I317R90-T94 HydrophobicContact CG-CG2 4.2Å; R90-T94 PolarHBondContact NH1-OG1 2.91Å; R90-T94 WeakPolarHBondContact O-CB 3.45Å; R90-T94 WeakPolarHBondContact O-CG2 3.49Å; R90-T94 PolarHBondContact O-N 3.47Å; R90-T94 PolarHBondContact O-OG1 3.36Å; I91-T94 PolarHBondContact O-N 3.11Å; T94-I317 HydrophobicContact CG2-CD1 4.39Å
95A94.6Very high94.1Very high0 Ų021.8 Ų21.80%011%0.114CC..  trans-66.2133-179.100000110.4I91 I100 R101 W162I91-A95 HydrophobicContact CG2-CB 4.1Å; I91-A95 WeakPolarHBondContact O-CB 3.26Å; I91-A95 PolarHBondContact O-N 3.44Å; A95-I100 HydrophobicContact CB-CB 3.86Å; A95-I100 HydrophobicContact CB-CG2 3.47Å; A95-I100 VanDerWaalsContact CB-CG2 3.47Å; A95-R101 HydrophobicContact CB-CG 3.88Å; A95-R101 WeakPolarHBondContact O-CD 3.46Å; A95-R101 WeakPolarHBondContact O-CG 3.25Å; A95-R101 PolarHBondContact O-NH1 2.97Å; A95-W162 VanDerWaalsContact CA-CZ3 3.48Å; A95-W162 HydrophobicContact CB-CE3 4.39Å; A95-W162 HydrophobicContact CB-CH2 3.56Å; A95-W162 HydrophobicContact CB-CZ2 3.8Å; A95-W162 HydrophobicContact CB-CZ3 3.88Å
96P94.4Very high94.3Very high0 Ų026.1 Ų26.10%014%0.137CC..SBendtrans-72.9-33.7-174.727.4-33.5000112.7R101 L141 Y155 F158 R159 W162P96-R101 PolarHBondContact O-NH1 3.41Å; P96-L141 HydrophobicContact CB-CD2 3.9Å; P96-Y155 HydrophobicContact CB-CE2 4.25Å; P96-F158 HydrophobicContact CB-CB 4.45Å; P96-R159 HydrophobicContact CB-CG 3.86Å; P96-R159 HydrophobicContact CG-CB 4.45Å; P96-R159 HydrophobicContact CG-CG 4.01Å; P96-W162 HydrophobicContact CG-CB 3.71Å; P96-W162 HydrophobicContact CG-CD2 4.39Å; P96-W162 HydrophobicContact CG-CG 4.01Å
97S94.6Very high94.7Very high1 Ų124.9 Ų24.91%0.00713%0.129CC..SBendtrans-91.3137-179.9-41.70000112.2D99 I100 R101S97-D99 VanDerWaalsContact C-N 3.34Å; S97-D99 WeakPolarHBondContact CB-OD1 3.5Å; S97-D99 PolarHBondContact O-N 3.46Å; S97-I100 PolarHBondContact O-N 3.47Å; S97-R101 VanDerWaalsContact C-NH1 3.27Å; S97-R101 PolarHBondContact O-N 3.36Å; S97-R101 PolarHBondContact O-NH1 3.17Å
98S94.3Very high94.9Very high55 Ų5524.8 Ų24.839%0.38513%0.129SC..Hα-helixtrans-63.1-33.5-178.252.90000114.2R101 S102 E144S98-R101 PolarHBondContact O-N 3.39Å; S98-S102 WeakPolarHBondContact O-CB 3.47Å; S98-S102 PolarHBondContact O-N 2.87Å; S98-S102 PolarHBondContact O-OG 3.4Å; S98-E144 WeakPolarHBondContact CB-OE1 3.5Å; S98-E144 PolarHBondContact N-OE1 3.42Å; S98-E144 PolarHBondContact OG-OE1 2.9Å
99D95.2Very high95Very high37 Ų3730.4 Ų30.420%0.19815%0.15CC..Hα-helixtrans-62.6-41.9175.967.9-49.7000111.7R34 S97 S102 A103R34-D99 IonicContact CZ-OD2 2.61Å; R34-D99 IonicContact NE-OD1 2.68Å; R34-D99 IonicContact NE-OD2 2.71Å; R34-D99 PolarHBondContact NE-OD2 3.18Å; R34-D99 IonicContact NH2-OD1 2.54Å; R34-D99 PolarHBondContact NH2-OD1 3.48Å; R34-D99 IonicContact NH2-OD2 2.86Å; R34-D99 PolarHBondContact NH2-OD2 2.95Å; S97-D99 VanDerWaalsContact C-N 3.34Å; S97-D99 WeakPolarHBondContact CB-OD1 3.5Å; S97-D99 PolarHBondContact O-N 3.46Å; D99-S102 PolarHBondContact O-N 3.47Å; D99-A103 PolarHBondContact O-N 3.31Å
100I96.3Very high95.2Very high1 Ų132 Ų321%0.00516%0.158CC..Hα-helixtrans-65.4-44177.6-59.4170.1000110.5L26 I91 A95 S97 S102 A103 A104 W162L26-I100 HydrophobicContact CB-CG2 4.28Å; L26-I100 WeakPolarHBondContact O-CD1 3.44Å; I91-I100 HydrophobicContact CG2-CG2 3.51Å; A95-I100 HydrophobicContact CB-CB 3.86Å; A95-I100 HydrophobicContact CB-CG2 3.47Å; A95-I100 VanDerWaalsContact CB-CG2 3.47Å; S97-I100 PolarHBondContact O-N 3.47Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 3.05Å; I100-A103 PolarHBondContact O-N 3.23Å; I100-A104 PolarHBondContact O-N 2.9Å; I100-A104 VanDerWaalsContact O-N 3.11Å; I100-W162 HydrophobicContact CG2-CZ2 3.93Å
101R95.5Very high95.4Very high28 Ų2831.6 Ų31.611%0.10616%0.157CC..Hα-helixtrans-62.8-40.1176.3-66.1-167.5-62.6-80.86.2111.3L92 A95 P96 S97 S98 A104 R105 L141L92-R101 WeakPolarHBondContact CD1-O 3.46Å; L92-R101 VanDerWaalsContact O-CD 3.26Å; L92-R101 WeakPolarHBondContact O-CD 3.32Å; L92-R101 WeakPolarHBondContact O-CG 3.37Å; A95-R101 HydrophobicContact CB-CG 3.88Å; A95-R101 WeakPolarHBondContact O-CD 3.46Å; A95-R101 WeakPolarHBondContact O-CG 3.25Å; A95-R101 PolarHBondContact O-NH1 2.97Å; P96-R101 PolarHBondContact O-NH1 3.41Å; S97-R101 VanDerWaalsContact C-NH1 3.27Å; S97-R101 PolarHBondContact O-N 3.36Å; S97-R101 PolarHBondContact O-NH1 3.17Å; S98-R101 PolarHBondContact O-N 3.39Å; R101-A104 PolarHBondContact O-N 2.86Å; R101-R105 WeakPolarHBondContact O-CB 3.4Å; R101-R105 PolarHBondContact O-N 2.99Å; R101-L141 PolarHBondContact NH1-O 2.95Å; R101-L141 PolarHBondContact NH2-O 2.97Å
102S95.9Very high95.4Very high45 Ų4536 Ų3632%0.31518%0.176SC..Hα-helixtrans-65.7-46.1178.6-57.70000111.2S98 D99 I100 A104 R105 D106S98-S102 WeakPolarHBondContact O-CB 3.47Å; S98-S102 PolarHBondContact O-N 2.87Å; S98-S102 PolarHBondContact O-OG 3.4Å; D99-S102 PolarHBondContact O-N 3.47Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 3.05Å; S102-A104 VanDerWaalsContact C-N 3.35Å; S102-A104 PolarHBondContact O-N 2.89Å; S102-R105 WeakPolarHBondContact O-CB 3.42Å; S102-R105 PolarHBondContact O-N 3.26Å; S102-R105 VanDerWaalsContact O-N 3.09Å; S102-D106 VanDerWaalsContact O-CG 3.27Å; S102-D106 PolarHBondContact O-N 2.8Å
103A97.1Very high95.5Very high17 Ų1739.9 Ų39.914%0.1420%0.196CC..Hα-helixtrans-56.6-46.4175.100000112.4L26 A38 D99 I100 R105 D106 I107L26-A103 HydrophobicContact CD2-CB 4.37Å; A38-A103 HydrophobicContact CB-CB 3.79Å; D99-A103 PolarHBondContact O-N 3.31Å; I100-A103 PolarHBondContact O-N 3.23Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 3.33Å; A103-D106 PolarHBondContact O-N 3.14Å; A103-I107 WeakPolarHBondContact O-CD1 3.48Å; A103-I107 VanDerWaalsContact O-CG1 3.32Å; A103-I107 WeakPolarHBondContact O-CG1 3.06Å; A103-I107 PolarHBondContact O-N 3.36Å
104A96.8Very high95.7Very high0 Ų043.1 Ų43.10%021%0.211CC..Hα-helixtrans-64.4-38.5176.400000112.4L88 I91 L92 I100 R101 S102 L108L88-A104 HydrophobicContact CD2-CB 4.19Å; I91-A104 HydrophobicContact CB-CB 4.13Å; I91-A104 HydrophobicContact CG2-CB 3.74Å; L92-A104 HydrophobicContact CB-CB 4.28Å; I100-A104 PolarHBondContact O-N 2.9Å; I100-A104 VanDerWaalsContact O-N 3.11Å; R101-A104 PolarHBondContact O-N 2.86Å; S102-A104 VanDerWaalsContact C-N 3.35Å; S102-A104 PolarHBondContact O-N 2.89Å; A104-L108 WeakPolarHBondContact O-CB 3.39Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.39Å; A104-L108 PolarHBondContact O-N 3.22Å
105R96.7Very high95.7Very high125 Ų12543.3 Ų43.347%0.47221%0.211SC..Hα-helixtrans-61.2-46.8176.6-168.8-175.5-59.3163.51.8111.5L92 R101 S102 A103 L108 R109L92-R105 HydrophobicContact CD1-CB 3.78Å; L92-R105 HydrophobicContact CD1-CG 4.26Å; R101-R105 WeakPolarHBondContact O-CB 3.4Å; R101-R105 PolarHBondContact O-N 2.99Å; S102-R105 WeakPolarHBondContact O-CB 3.42Å; S102-R105 PolarHBondContact O-N 3.26Å; S102-R105 VanDerWaalsContact O-N 3.09Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 3.33Å; R105-L108 PolarHBondContact O-N 2.78Å; R105-R109 VanDerWaalsContact O-CB 3.27Å; R105-R109 WeakPolarHBondContact O-CB 3.41Å; R105-R109 PolarHBondContact O-N 3.42Å
106D97.6Very high95.6Very high100 Ų10046.3 Ų46.354%0.53524%0.241SC..Hα-helixtrans-65.3-44.2-176.4-66.7-19.7000111S102 A103 R109 D110S102-D106 VanDerWaalsContact O-CG 3.27Å; S102-D106 PolarHBondContact O-N 2.8Å; A103-D106 PolarHBondContact O-N 3.14Å; D106-R109 PolarHBondContact O-N 3.43Å; D106-D110 WeakPolarHBondContact O-CB 3.48Å; D106-D110 PolarHBondContact O-N 2.82Å
107I97.5Very high95.6Very high4 Ų447.6 Ų47.62%0.02125%0.247CC..Hα-helixtrans-60.9-48.4175-64.2163.4000110.5I41 F45 L88 A103 R109 D110 L111I41-I107 HydrophobicContact CB-CD1 4.39Å; I41-I107 HydrophobicContact CG2-CD1 3.83Å; F45-I107 HydrophobicContact CD2-CG2 3.6Å; F45-I107 HydrophobicContact CE2-CG2 3.63Å; L88-I107 HydrophobicContact CD1-CG2 3.72Å; L88-I107 HydrophobicContact CD2-CD1 4.3Å; L88-I107 HydrophobicContact CD2-CG2 4.47Å; A103-I107 WeakPolarHBondContact O-CD1 3.48Å; A103-I107 VanDerWaalsContact O-CG1 3.32Å; A103-I107 WeakPolarHBondContact O-CG1 3.06Å; A103-I107 PolarHBondContact O-N 3.36Å; I107-R109 VanDerWaalsContact C-N 3.29Å; I107-R109 PolarHBondContact O-N 2.71Å; I107-D110 PolarHBondContact O-N 3.41Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 HydrophobicContact CG2-CG 4.48Å; I107-L111 WeakPolarHBondContact O-CG 3.38Å; I107-L111 PolarHBondContact O-N 3.37Å
108L96.8Very high95.4Very high1 Ų154.9 Ų54.91%0.00528%0.279CS..Hα-helixtrans-62.8-36.6178.9-75169.7000112.3I85 L88 L89 L92 A104 R105 L111 K112 I119I85-L108 HydrophobicContact CG2-CD2 4.33Å; L88-L108 HydrophobicContact CB-CD1 4.07Å; L88-L108 HydrophobicContact CB-CD2 3.83Å; L88-L108 HydrophobicContact CB-CG 3.91Å; L88-L108 HydrophobicContact CD1-CD2 4.2Å; L88-L108 HydrophobicContact CD1-CG 4.43Å; L89-L108 HydrophobicContact CD2-CD1 3.93Å; L89-L108 HydrophobicContact CG-CD1 4.28Å; L92-L108 HydrophobicContact CB-CD1 4.4Å; L92-L108 HydrophobicContact CD2-CD1 4.02Å; A104-L108 WeakPolarHBondContact O-CB 3.39Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.39Å; A104-L108 PolarHBondContact O-N 3.22Å; R105-L108 PolarHBondContact O-N 2.78Å; L108-L111 PolarHBondContact O-N 2.76Å; L108-K112 WeakPolarHBondContact O-CB 3.32Å; L108-K112 PolarHBondContact O-N 3.01Å; L108-I119 HydrophobicContact CD2-CD1 4.08Å; L108-I119 HydrophobicContact CD2-CG2 4.08Å
109R97Very high95.1Very high118 Ų11852.9 Ų52.945%0.44526%0.264SS..Hα-helixtrans-66.9-44.2177.7-173.8177.4-176.9146.62.9111.3R105 D106 I107 K112 I113 D368R105-R109 VanDerWaalsContact O-CB 3.27Å; R105-R109 WeakPolarHBondContact O-CB 3.41Å; R105-R109 PolarHBondContact O-N 3.42Å; D106-R109 PolarHBondContact O-N 3.43Å; I107-R109 VanDerWaalsContact C-N 3.29Å; I107-R109 PolarHBondContact O-N 2.71Å; R109-K112 PolarHBondContact O-N 3.03Å; R109-I113 HydrophobicContact CG-CD1 3.57Å; R109-I113 HydrophobicContact CG-CG1 4.26Å; R109-I113 WeakPolarHBondContact O-CB 3.17Å; R109-I113 WeakPolarHBondContact O-CG1 3.46Å; R109-I113 PolarHBondContact O-N 2.82Å; R109-D368 IonicContact CZ-OD1 3.17Å; R109-D368 IonicContact CZ-OD2 3.9Å; R109-D368 IonicContact NE-OD2 3.64Å; R109-D368 IonicContact NH1-OD1 2.66Å; R109-D368 PolarHBondContact NH1-OD1 2.79Å; R109-D368 IonicContact NH1-OD2 3.43Å; R109-D368 IonicContact NH2-OD1 3.08Å; R109-D368 PolarHBondContact NH2-OD1 3.05Å; R109-D368 IonicContact NH2-OD2 2.74Å; R109-D368 PolarHBondContact NH2-OD2 2.73Å
110D97.2Very high94.6Very high34 Ų3451.8 Ų51.818%0.18226%0.258CS..Hα-helixtrans-61-47173.416771000111.5Q42 D106 I107 K112 Q114 K115Q42-D110 PolarHBondContact NE2-OD2 2.78Å; D106-D110 WeakPolarHBondContact O-CB 3.48Å; D106-D110 PolarHBondContact O-N 2.82Å; I107-D110 PolarHBondContact O-N 3.41Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 3.5Å; D110-Q114 WeakPolarHBondContact O-CA 3.42Å; D110-Q114 WeakPolarHBondContact O-CB 3.33Å; D110-Q114 PolarHBondContact O-N 2.86Å; D110-Q114 WeakPolarHBondContact OD1-CB 3.14Å; D110-K115 PolarHBondContact O-N 2.95Å; D110-K115 IonicContact OD1-NZ 3.93Å; D110-K115 PolarHBondContact OD1-NZ 3.01Å; D110-K115 VanDerWaalsContact OD1-NZ 3.11Å; D110-K115 IonicContact OD2-NZ 3.79Å; D110-K115 PolarHBondContact OD2-NZ 3.42Å
111L95.9Very high93.7Very high0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-56.4-43.6175.2-73-176.7000112.3F45 I81 I85 L88 I107 L108 K115 G116 F117 I119F45-L111 HydrophobicContact CD2-CD1 3.96Å; F45-L111 HydrophobicContact CD2-CD2 3.94Å; F45-L111 HydrophobicContact CD2-CG 4.19Å; F45-L111 HydrophobicContact CE2-CD1 3.87Å; I81-L111 HydrophobicContact CG2-CD1 3.89Å; I81-L111 HydrophobicContact CG2-CD2 3.55Å; I81-L111 HydrophobicContact CG2-CG 4.38Å; I85-L111 HydrophobicContact CG1-CD1 4.17Å; L88-L111 HydrophobicContact CD1-CD1 4.41Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 HydrophobicContact CG2-CG 4.48Å; I107-L111 WeakPolarHBondContact O-CG 3.38Å; I107-L111 PolarHBondContact O-N 3.37Å; L108-L111 PolarHBondContact O-N 2.76Å; L111-K115 HydrophobicContact CD2-CD 3.9Å; L111-K115 CarbonylContact O-C 3.37Å; L111-K115 WeakPolarHBondContact O-CB 3.43Å; L111-G116 PolarHBondContact O-N 3.21Å; L111-G116 VanDerWaalsContact O-N 3.11Å; L111-F117 HydrophobicContact CB-CB 4.28Å; L111-F117 HydrophobicContact CB-CD2 4.37Å; L111-F117 HydrophobicContact CD2-CD2 4Å; L111-F117 HydrophobicContact CD2-CE2 4.2Å; L111-F117 WeakPolarHBondContact O-CB 3.48Å; L111-F117 PolarHBondContact O-N 3.04Å; L111-I119 HydrophobicContact CB-CD1 4.21Å
112K95.5Very high92.8Very high95 Ų9554.4 Ų54.441%0.41328%0.275SS..Hα-helixtrans-71-53.2-179.2-170.4177.7178.4-179.30112.4L108 R109 D110 G116 I119 W366L108-K112 WeakPolarHBondContact O-CB 3.32Å; L108-K112 PolarHBondContact O-N 3.01Å; R109-K112 PolarHBondContact O-N 3.03Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 3.5Å; K112-G116 WeakPolarHBondContact O-CA 3.5Å; K112-G116 PolarHBondContact O-N 3.04Å; K112-I119 HydrophobicContact CB-CG1 3.74Å; K112-I119 HydrophobicContact CD-CG1 4.43Å; K112-I119 HydrophobicContact CG-CG1 4.18Å; K112-W366 HydrophobicContact CD-CZ3 4.46Å
113I95.4Very high91.5Very high94 Ų9454.7 Ų54.748%0.48228%0.275SS..Hα-helixtrans-84.8-48.8-167.7-60.6-179.5000111.1R109R109-I113 HydrophobicContact CG-CD1 3.57Å; R109-I113 HydrophobicContact CG-CG1 4.26Å; R109-I113 WeakPolarHBondContact O-CB 3.17Å; R109-I113 WeakPolarHBondContact O-CG1 3.46Å; R109-I113 PolarHBondContact O-N 2.82Å
114Q93.2Very high90.3Very high140 Ų14055.5 Ų55.565%0.65428%0.278SS*.THydrogen-bonded Turntrans-86.7-32.8-172.9-57.8-61.2-25.400112.1D110D110-Q114 WeakPolarHBondContact O-CA 3.42Å; D110-Q114 WeakPolarHBondContact O-CB 3.33Å; D110-Q114 PolarHBondContact O-N 2.86Å; D110-Q114 WeakPolarHBondContact OD1-CB 3.14Å
115K92.8Very high89.3Confident15 Ų1560 Ų607%0.06531%0.31CS..SBendtrans-110.5-2.7-173-62.8177.1171.772.40114.2D46 Y49 D110 L111 F117D46-K115 VanDerWaalsContact OD1-CE 3.28Å; D46-K115 WeakPolarHBondContact OD1-CE 3.47Å; D46-K115 IonicContact OD1-NZ 2.64Å; D46-K115 PolarHBondContact OD1-NZ 3.2Å; Y49-K115 HydrophobicContact CD1-CD 3.98Å; Y49-K115 HydrophobicContact CD1-CG 3.81Å; Y49-K115 HydrophobicContact CD2-CB 3.85Å; Y49-K115 HydrophobicContact CD2-CD 3.91Å; Y49-K115 HydrophobicContact CD2-CG 3.92Å; Y49-K115 HydrophobicContact CE1-CB 4.26Å; Y49-K115 HydrophobicContact CE1-CD 4.49Å; Y49-K115 HydrophobicContact CE1-CG 3.82Å; Y49-K115 HydrophobicContact CE2-CB 3.54Å; Y49-K115 HydrophobicContact CE2-CD 4.41Å; Y49-K115 HydrophobicContact CE2-CG 3.92Å; Y49-K115 WeakPolarHBondContact CE2-O 3.34Å; Y49-K115 HydrophobicContact CG-CB 4.31Å; Y49-K115 HydrophobicContact CG-CD 3.65Å; Y49-K115 HydrophobicContact CG-CG 3.85Å; Y49-K115 PolarHBondContact OH-O 3.34Å; D110-K115 PolarHBondContact O-N 2.95Å; D110-K115 IonicContact OD1-NZ 3.93Å; D110-K115 PolarHBondContact OD1-NZ 3.01Å; D110-K115 VanDerWaalsContact OD1-NZ 3.11Å; D110-K115 IonicContact OD2-NZ 3.79Å; D110-K115 PolarHBondContact OD2-NZ 3.42Å; L111-K115 HydrophobicContact CD2-CD 3.9Å; L111-K115 CarbonylContact O-C 3.37Å; L111-K115 WeakPolarHBondContact O-CB 3.43Å; K115-F117 VanDerWaalsContact C-N 3.28Å; K115-F117 HydrophobicContact CB-CD2 3.75Å; K115-F117 HydrophobicContact CB-CE2 3.92Å; K115-F117 PolarHBondContact O-N 3.26Å
116G92.4Very high88.8Confident62 Ų6256.1 Ų56.164%0.63930%0.302SS*.  trans68.717172.400000115.6L111 K112L111-G116 PolarHBondContact O-N 3.21Å; L111-G116 VanDerWaalsContact O-N 3.11Å; K112-G116 WeakPolarHBondContact O-CA 3.5Å; K112-G116 PolarHBondContact O-N 3.04Å
117F93Very high88.5Confident27 Ų2751.5 Ų51.512%0.11828%0.278CS..  trans-68.6140.3175.2-76.5-95.1000110.9Y49 H78 I81 I85 L111 K115 I119Y49-F117 AromaticContact CD2-CE2 3.67Å; Y49-F117 HydrophobicContact CD2-CE2 3.67Å; Y49-F117 HydrophobicContact CD2-CZ 4.27Å; Y49-F117 AromaticContact CE2-CE2 3.93Å; Y49-F117 HydrophobicContact CE2-CE2 3.93Å; H78-F117 HydrophobicContact CB-CE1 4.33Å; H78-F117 HydrophobicContact CB-CZ 4.16Å; H78-F117 AromaticContact CD2-CZ 3.75Å; I81-F117 HydrophobicContact CB-CE1 4Å; I81-F117 HydrophobicContact CB-CZ 3.89Å; I81-F117 HydrophobicContact CD1-CE2 4.09Å; I81-F117 HydrophobicContact CD1-CZ 3.77Å; I81-F117 HydrophobicContact CG1-CZ 4.43Å; I81-F117 HydrophobicContact CG2-CD1 4.15Å; I81-F117 HydrophobicContact CG2-CD2 4.43Å; I81-F117 HydrophobicContact CG2-CE1 3.73Å; I81-F117 HydrophobicContact CG2-CE2 4.03Å; I81-F117 HydrophobicContact CG2-CG 4.49Å; I81-F117 HydrophobicContact CG2-CZ 3.67Å; I85-F117 HydrophobicContact CD1-CB 4.34Å; I85-F117 HydrophobicContact CD1-CD1 4.13Å; L111-F117 HydrophobicContact CB-CB 4.28Å; L111-F117 HydrophobicContact CB-CD2 4.37Å; L111-F117 HydrophobicContact CD2-CD2 4Å; L111-F117 HydrophobicContact CD2-CE2 4.2Å; L111-F117 WeakPolarHBondContact O-CB 3.48Å; L111-F117 PolarHBondContact O-N 3.04Å; K115-F117 VanDerWaalsContact C-N 3.28Å; K115-F117 HydrophobicContact CB-CD2 3.75Å; K115-F117 HydrophobicContact CB-CE2 3.92Å; K115-F117 PolarHBondContact O-N 3.26Å; F117-I119 HydrophobicContact CB-CD1 4.11Å; F117-I119 PolarHBondContact O-N 3.25Å
118K90.7Very high88.2Confident155 Ų15551.4 Ų51.467%0.67428%0.277SS*.  trans-75.6113170.4-66.2-174.6179-178.20108.8P120 L326K118-P120 WeakPolarHBondContact O-CD 3.25Å; K118-L326 HydrophobicContact CB-CD2 3.72Å; K118-L326 HydrophobicContact CD-CD2 4.32Å
119I89.2Confident87.6Confident13 Ų1354.5 Ų54.57%0.06729%0.291CS..PPolyproline II helixtrans-99.7117.3174.1-50.1-54.5000108.7I85 L89 L108 L111 K112 F117 W366I85-I119 HydrophobicContact CD1-CD1 3.79Å; I85-I119 HydrophobicContact CG1-CD1 4.09Å; I85-I119 HydrophobicContact CG2-CD1 4.05Å; I85-I119 HydrophobicContact CG2-CG2 4.43Å; L89-I119 HydrophobicContact CD1-CG2 4.4Å; L89-I119 HydrophobicContact CD2-CG2 3.98Å; L89-I119 HydrophobicContact CG-CG2 4.4Å; L108-I119 HydrophobicContact CD2-CD1 4.08Å; L108-I119 HydrophobicContact CD2-CG2 4.08Å; L111-I119 HydrophobicContact CB-CD1 4.21Å; K112-I119 HydrophobicContact CB-CG1 3.74Å; K112-I119 HydrophobicContact CD-CG1 4.43Å; K112-I119 HydrophobicContact CG-CG1 4.18Å; F117-I119 HydrophobicContact CB-CD1 4.11Å; F117-I119 PolarHBondContact O-N 3.25Å; I119-W366 HydrophobicContact CB-CH2 4.36Å; I119-W366 HydrophobicContact CB-CZ3 3.97Å; I119-W366 HydrophobicContact CG2-CH2 3.58Å; I119-W366 HydrophobicContact CG2-CZ3 3.6Å
120P83.7Confident87Confident13 Ų1349.9 Ų49.98%0.08428%0.275CS..PPolyproline II helixtrans-71.9154.6-179.5-20.634.6000113.2K118 I324 L326K118-P120 WeakPolarHBondContact O-CD 3.25Å; P120-I324 HydrophobicContact CB-CB 3.89Å; P120-I324 HydrophobicContact CB-CG2 3.04Å; P120-I324 HydrophobicContact CG-CB 4.48Å; P120-I324 HydrophobicContact CG-CG2 3.2Å; P120-L326 HydrophobicContact CB-CD2 4.37Å; P120-L326 HydrophobicContact CG-CD2 3.82Å; P120-L326 HydrophobicContact CG-CG 4.19Å
121N78.6Confident85.8Confident54 Ų5455.9 Ų55.929%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-91.4141.8175.1-66.3-28.2000111.1I324 N325N121-I324 WeakPolarHBondContact O-CA 3.48Å; N121-N325 PolarHBondContact N-O 2.77Å; N121-N325 PolarHBondContact O-N 2.69Å; N121-N325 VanDerWaalsContact O-N 3.09Å
122T75.4Confident84.5Confident30 Ų3057.3 Ų57.318%0.18431%0.312CS..EExtended strand (participates in β ladder)trans-79.9126.4175.454.20000111.1H93 I317 L323H93-T122 PolarHBondContact CE1-OG1 3.42Å; H93-T122 WeakPolarHBondContact NE2-CG2 3.32Å; H93-T122 PolarHBondContact NE2-OG1 3.38Å; T122-I317 HydrophobicContact CG2-CD1 4.39Å; T122-I317 HydrophobicContact CG2-CG2 3.92Å; T122-L323 CarbonylContact C-O 3.59Å; T122-L323 VanDerWaalsContact CA-O 3.24Å; T122-L323 WeakPolarHBondContact CA-O 3.47Å
123V69.8Low83.6Confident51 Ų5153.4 Ų53.431%0.30930%0.295SS..SBendtrans-80.3-25.7-175.3-178.50000112.3L323 N325V123-L323 PolarHBondContact N-O 3.07Å; V123-N325 HydrophobicContact CG2-CB 4.24Å
124T71.6Confident82.7Confident34 Ų3453.6 Ų53.621%0.20930%0.297CS..  trans-164.6135179.6162.20000110.7S126 L323T124-S126 PolarHBondContact OG1-N 3.24Å; T124-L323 HydrophobicContact CG2-CD2 3.4Å; T124-L323 WeakPolarHBondContact O-CD2 3.29Å
125S75.6Confident82.4Confident95 Ų9548 Ų4866%0.66427%0.271SS*.  trans-95-9176.752.70000113.9
126S86.8Confident82.2Confident43 Ų4349.8 Ų49.830%0.30128%0.282SS..  trans-60.6134.5179.4176.80000111.1T124 S128 R314T124-S126 PolarHBondContact OG1-N 3.24Å; S126-S128 VanDerWaalsContact C-N 3.27Å; S126-S128 PolarHBondContact O-N 3.35Å; S126-S128 PolarHBondContact OG-N 3.45Å; S126-S128 PolarHBondContact OG-O 2.92Å; S126-S128 VanDerWaalsContact OG-O 3.13Å; S126-R314 WeakPolarHBondContact O-CD 3.46Å
127P91.1Very high82.2Confident4 Ų447.1 Ų47.13%0.02625%0.252CS..SBendtrans-77.9-8.1-179.931.8-37000113.7M135 M138 N170 N173 V174 R314P127-M135 HydrophobicContact CG-CE 3.41Å; P127-M135 VanDerWaalsContact CG-CE 3.41Å; P127-M135 HydrophobicContact CG-SD 3.4Å; P127-M135 WeakPolarHBondContact CG-SD 3.47Å; P127-M138 HydrophobicContact CG-SD 3.85Å; P127-N170 HydrophobicContact CB-CB 3.63Å; P127-N170 WeakPolarHBondContact CB-OD1 3.38Å; P127-N173 HydrophobicContact CB-CB 4.07Å; P127-N173 HydrophobicContact CG-CB 4.08Å; P127-V174 HydrophobicContact CB-CG2 4.33Å; P127-V174 HydrophobicContact CG-CG2 4.13Å; P127-R314 PolarHBondContact O-N 3.39Å
128S89.8Confident82.1Confident2 Ų247.6 Ų47.61%0.01426%0.256CS..BIsolated β-bridgetrans-134150-178.4175.90000113S126 I130 C311 G312 R314S126-S128 VanDerWaalsContact C-N 3.27Å; S126-S128 PolarHBondContact O-N 3.35Å; S126-S128 PolarHBondContact OG-N 3.45Å; S126-S128 PolarHBondContact OG-O 2.92Å; S126-S128 VanDerWaalsContact OG-O 3.13Å; S128-I130 PolarHBondContact O-N 3.02Å; S128-I130 WeakPolarHBondContact OG-CB 3.27Å; S128-I130 WeakPolarHBondContact OG-CG1 3.36Å; S128-I130 PolarHBondContact OG-N 3.42Å; S128-C311 WeakPolarHBondContact CB-O 3.01Å; S128-C311 PolarHBondContact OG-O 3.39Å; S128-G312 CarbonylContact C-O 3.55Å; S128-G312 WeakPolarHBondContact CA-O 3.42Å; S128-G312 PolarHBondContact OG-O 2.93Å; S128-R314 VanDerWaalsContact C-CD 3.46Å; S128-R314 VanDerWaalsContact C-NE 3.32Å; S128-R314 VanDerWaalsContact O-CD 3.32Å; S128-R314 WeakPolarHBondContact O-CD 3.36Å; S128-R314 PolarHBondContact O-NE 3.46Å
129F85.8Confident82.1Confident65 Ų6546.1 Ų46.129%0.28525%0.249SC..SBendtrans-73.3-13.3169.8-71.1-69.8000112.7M1 I4 Q131 G312 R314 Y573M1-F129 HydrophobicContact CG-CE2 4.45Å; I4-F129 HydrophobicContact CD1-CE1 4.22Å; I4-F129 HydrophobicContact CD1-CZ 3.76Å; F129-Q131 PolarHBondContact O-N 3.09Å; F129-Q131 VanDerWaalsContact O-N 3.15Å; F129-G312 WeakPolarHBondContact CD2-O 3.32Å; F129-G312 PolarHBondContact N-O 2.9Å; F129-R314 HydrophobicContact CD1-CG 3.76Å; F129-R314 VanDerWaalsContact CD1-CZ 3.49Å; F129-R314 HydrophobicContact CD2-CB 4.49Å; F129-R314 HydrophobicContact CD2-CG 3.57Å; F129-R314 HydrophobicContact CE1-CG 3.7Å; F129-R314 HydrophobicContact CE2-CB 4.19Å; F129-R314 HydrophobicContact CE2-CG 3.51Å; F129-R314 HydrophobicContact CG-CG 3.69Å; F129-R314 HydrophobicContact CZ-CB 4.39Å; F129-R314 HydrophobicContact CZ-CG 3.57Å; F129-Y573 HydrophobicContact CD2-CE1 4.44Å
130I84Confident82.1Confident22 Ų2245.7 Ų45.711%0.11325%0.247CC..  trans-8099.1-179.9-54.6-175.6000108.3S128 S132 L133 C311 F580S128-I130 PolarHBondContact O-N 3.02Å; S128-I130 WeakPolarHBondContact OG-CB 3.27Å; S128-I130 WeakPolarHBondContact OG-CG1 3.36Å; S128-I130 PolarHBondContact OG-N 3.42Å; I130-S132 WeakPolarHBondContact CG2-OG 3.41Å; I130-S132 PolarHBondContact O-N 3.23Å; I130-S132 VanDerWaalsContact O-N 3.17Å; I130-L133 HydrophobicContact CB-CD1 4.02Å; I130-L133 HydrophobicContact CB-CG 4.01Å; I130-L133 HydrophobicContact CG2-CD1 4.43Å; I130-L133 HydrophobicContact CG2-CG 3.92Å; I130-L133 PolarHBondContact O-N 3.19Å; I130-C311 VanDerWaalsContact CD1-C 3.49Å; I130-C311 WeakPolarHBondContact CD1-O 3.17Å; I130-F580 HydrophobicContact CD1-CD2 3.93Å; I130-F580 HydrophobicContact CD1-CE1 3.99Å; I130-F580 HydrophobicContact CD1-CE2 3.17Å; I130-F580 HydrophobicContact CD1-CZ 3.22Å; I130-F580 HydrophobicContact CG1-CE2 4.47Å; I130-F580 HydrophobicContact CG2-CD2 3.96Å; I130-F580 HydrophobicContact CG2-CE2 4.19Å
131Q71.7Confident82.4Confident159 Ų15945.5 Ų45.574%0.74325%0.246SC*.THydrogen-bonded Turntrans-61.3-23.8-175.1-66.3176.3-3.800113.4F129 L133F129-Q131 PolarHBondContact O-N 3.09Å; F129-Q131 VanDerWaalsContact O-N 3.15Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.19Å
132S68Low82.8Confident30 Ų3048 Ų4821%0.2126%0.262CS..THydrogen-bonded Turntrans-78.6-8.6-178.463.60000114.5I130 N134 E581 S589I130-S132 WeakPolarHBondContact CG2-OG 3.41Å; I130-S132 PolarHBondContact O-N 3.23Å; I130-S132 VanDerWaalsContact O-N 3.17Å; S132-N134 PolarHBondContact O-N 3.03Å; S132-E581 WeakPolarHBondContact CB-OE1 3.22Å; S132-S589 PolarHBondContact O-OG 3.46Å
133L76.7Confident83.4Confident13 Ų1352.3 Ų52.37%0.06828%0.284CS..  trans-73.999.5179.3-66.7179.3000110.6I130 Q131 M135 Y177 I593I130-L133 HydrophobicContact CB-CD1 4.02Å; I130-L133 HydrophobicContact CB-CG 4.01Å; I130-L133 HydrophobicContact CG2-CD1 4.43Å; I130-L133 HydrophobicContact CG2-CG 3.92Å; I130-L133 PolarHBondContact O-N 3.19Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.19Å; L133-M135 HydrophobicContact CB-CE 3.88Å; L133-M135 HydrophobicContact CB-CG 4.36Å; L133-M135 HydrophobicContact CD1-CE 4.48Å; L133-M135 PolarHBondContact O-N 3.27Å; L133-Y177 HydrophobicContact CD2-CE2 4.49Å; L133-I593 HydrophobicContact CD1-CD1 4.25Å; L133-I593 HydrophobicContact CD2-CD1 3.91Å; L133-I593 HydrophobicContact CD2-CG1 4.17Å
134N77.1Confident84.5Confident98 Ų9853.6 Ų53.652%0.52429%0.287SS..  trans-7993.5170.3178.615.9000110.6S132 D136 Y177S132-N134 PolarHBondContact O-N 3.03Å; N134-D136 VanDerWaalsContact C-N 3.34Å; N134-D136 PolarHBondContact ND2-OD2 3.11Å; N134-D136 PolarHBondContact O-N 2.86Å; N134-D136 PolarHBondContact OD1-OD1 2.82Å; N134-D136 PolarHBondContact OD1-OD2 3.04Å; N134-Y177 PolarHBondContact N-OH 3.24Å; N134-Y177 WeakPolarHBondContact O-CE1 3.28Å; N134-Y177 PolarHBondContact O-OH 3.01Å
135M86.7Confident85.6Confident22 Ų2252.9 Ų52.911%0.10828%0.283CS..  trans-91.862.6-175.9-72176.9-87.500111.7P127 L133 H137 M138 V174 Y177P127-M135 HydrophobicContact CG-CE 3.41Å; P127-M135 VanDerWaalsContact CG-CE 3.41Å; P127-M135 HydrophobicContact CG-SD 3.4Å; P127-M135 WeakPolarHBondContact CG-SD 3.47Å; L133-M135 HydrophobicContact CB-CE 3.88Å; L133-M135 HydrophobicContact CB-CG 4.36Å; L133-M135 HydrophobicContact CD1-CE 4.48Å; L133-M135 PolarHBondContact O-N 3.27Å; M135-H137 PolarHBondContact O-N 2.8Å; M135-H137 VanDerWaalsContact O-N 3.15Å; M135-M138 HydrophobicContact CB-CB 4.46Å; M135-M138 HydrophobicContact CB-CG 4.04Å; M135-M138 WeakPolarHBondContact O-CB 3.32Å; M135-M138 PolarHBondContact O-N 3.11Å; M135-M138 HydrophobicContact SD-SD 4.42Å; M135-V174 HydrophobicContact SD-CG2 3.93Å; M135-Y177 HydrophobicContact CG-CD2 4.48Å; M135-Y177 HydrophobicContact CG-CE2 3.53Å; M135-Y177 WeakPolarHBondContact CG-OH 3.47Å; M135-Y177 PolarHBondContact N-OH 3.07Å; M135-Y177 HydrophobicContact SD-CE2 4.44Å
136D89.1Confident86.4Confident53 Ų5352.1 Ų52.128%0.28328%0.278SS..G310 helixtrans-54.3-34-179.4-81.8-45.1000113.1N134 M138 K139 F151N134-D136 VanDerWaalsContact C-N 3.34Å; N134-D136 PolarHBondContact ND2-OD2 3.11Å; N134-D136 PolarHBondContact O-N 2.86Å; N134-D136 PolarHBondContact OD1-OD1 2.82Å; N134-D136 PolarHBondContact OD1-OD2 3.04Å; D136-M138 PolarHBondContact O-N 2.82Å; D136-M138 VanDerWaalsContact O-N 3.16Å; D136-K139 VanDerWaalsContact O-CB 3.3Å; D136-K139 WeakPolarHBondContact O-CB 2.97Å; D136-K139 WeakPolarHBondContact O-CG 3.4Å; D136-K139 PolarHBondContact O-N 3.2Å; D136-K139 VanDerWaalsContact O-N 3.07Å; D136-K139 WeakPolarHBondContact OD1-CE 3.49Å; D136-K139 IonicContact OD1-NZ 3.37Å; D136-K139 PolarHBondContact OD1-NZ 3.25Å; D136-F151 HydrophobicContact CB-CE2 4.33Å; D136-F151 HydrophobicContact CB-CZ 3.86Å
137H91.7Very high86.6Confident6 Ų657.9 Ų57.93%0.02830%0.3CS..G310 helixtrans-62.2-21.7177.765.4-82.1000113.2M135 K139 C140 F151 T154 F158 N173 Y177M135-H137 PolarHBondContact O-N 2.8Å; M135-H137 VanDerWaalsContact O-N 3.15Å; H137-K139 PolarHBondContact O-N 3.12Å; H137-C140 WeakPolarHBondContact O-CB 3.38Å; H137-C140 PolarHBondContact O-N 3.06Å; H137-C140 PolarHBondContact O-SG 3.49Å; H137-F151 HydrophobicContact CB-CD1 3.56Å; H137-F151 HydrophobicContact CB-CE1 3.8Å; H137-F151 HydrophobicContact CB-CG 4.15Å; H137-T154 HydrophobicContact CB-CG2 4.29Å; H137-F158 AromaticContact CD2-CZ 3.82Å; H137-N173 PolarHBondContact NE2-O 3.2Å; H137-Y177 AromaticContact CE1-CD2 3.85Å; H137-Y177 AromaticContact CE1-CG 3.84Å; H137-Y177 AromaticContact ND1-CD1 3.93Å
138M91.2Very high86.6Confident38 Ų3861.3 Ų61.319%0.18734%0.336CS..G310 helixtrans-71.6-14.6176.2-75-153.87000114P127 M135 D136 C140 L141 N173P127-M138 HydrophobicContact CG-SD 3.85Å; M135-M138 HydrophobicContact CB-CB 4.46Å; M135-M138 HydrophobicContact CB-CG 4.04Å; M135-M138 WeakPolarHBondContact O-CB 3.32Å; M135-M138 PolarHBondContact O-N 3.11Å; M135-M138 HydrophobicContact SD-SD 4.42Å; D136-M138 PolarHBondContact O-N 2.82Å; D136-M138 VanDerWaalsContact O-N 3.16Å; M138-C140 PolarHBondContact O-N 3.15Å; M138-C140 VanDerWaalsContact O-N 3.13Å; M138-L141 HydrophobicContact CE-CD1 3.28Å; M138-L141 HydrophobicContact CE-CG 4.3Å; M138-L141 WeakPolarHBondContact O-CB 3.25Å; M138-L141 PolarHBondContact O-N 2.75Å; M138-N173 HydrophobicContact CE-CB 3.95Å; M138-N173 VanDerWaalsContact CE-CG 3.48Å; M138-N173 HydrophobicContact CG-CB 4.48Å; M138-N173 HydrophobicContact SD-CB 3.68Å
139K89.5Confident86.8Confident124 Ų12464.9 Ų64.954%0.53936%0.355SS..G310 helixtrans-57.2-26.3172.6-69170.1175.5162.70111.6D136 H137 L141 V142 D143D136-K139 VanDerWaalsContact O-CB 3.3Å; D136-K139 WeakPolarHBondContact O-CB 2.97Å; D136-K139 WeakPolarHBondContact O-CG 3.4Å; D136-K139 PolarHBondContact O-N 3.2Å; D136-K139 VanDerWaalsContact O-N 3.07Å; D136-K139 WeakPolarHBondContact OD1-CE 3.49Å; D136-K139 IonicContact OD1-NZ 3.37Å; D136-K139 PolarHBondContact OD1-NZ 3.25Å; H137-K139 PolarHBondContact O-N 3.12Å; K139-L141 PolarHBondContact O-N 2.81Å; K139-L141 VanDerWaalsContact O-N 3.13Å; K139-V142 PolarHBondContact O-N 2.76Å; K139-D143 PolarHBondContact O-N 3.31Å
140C90.8Very high87.1Confident3 Ų367.3 Ų67.32%0.0238%0.377CS..G310 helixtrans-61.6-18.9175.579.50000114.5H137 M138 V142 D143 P145 F151 Y155H137-C140 WeakPolarHBondContact O-CB 3.38Å; H137-C140 PolarHBondContact O-N 3.06Å; H137-C140 PolarHBondContact O-SG 3.49Å; M138-C140 PolarHBondContact O-N 3.15Å; M138-C140 VanDerWaalsContact O-N 3.13Å; C140-V142 VanDerWaalsContact C-N 3.34Å; C140-D143 WeakPolarHBondContact CA-O 3.45Å; C140-P145 HydrophobicContact CB-CG 3.9Å; C140-F151 HydrophobicContact CB-CB 4.25Å; C140-Y155 HydrophobicContact CB-CD2 4.22Å; C140-Y155 HydrophobicContact CB-CG 4.38Å; C140-Y155 WeakPolarHBondContact O-CD2 3.12Å
141L89.8Confident87.6Confident10 Ų1069.9 Ų69.95%0.05239%0.388CS..G310 helixtrans-76.8-21.9174.7-61.8-172.2000112.6P96 R101 M138 K139 F158 L168P96-L141 HydrophobicContact CB-CD2 3.9Å; R101-L141 PolarHBondContact NH1-O 2.95Å; R101-L141 PolarHBondContact NH2-O 2.97Å; M138-L141 HydrophobicContact CE-CD1 3.28Å; M138-L141 HydrophobicContact CE-CG 4.3Å; M138-L141 WeakPolarHBondContact O-CB 3.25Å; M138-L141 PolarHBondContact O-N 2.75Å; K139-L141 PolarHBondContact O-N 2.81Å; K139-L141 VanDerWaalsContact O-N 3.13Å; L141-F158 HydrophobicContact CD2-CB 4.45Å; L141-F158 HydrophobicContact CD2-CD2 3.71Å; L141-F158 HydrophobicContact CD2-CE2 4.43Å; L141-F158 HydrophobicContact CG-CD2 4.4Å; L141-L168 HydrophobicContact CD1-CD2 4Å; L141-L168 HydrophobicContact CD2-CD2 3.75Å
142V86.6Confident88.7Confident106 Ų10665.3 Ų65.364%0.64236%0.364SS*.THydrogen-bonded Turntrans-96.8-50.8177.2-178.90000109.2K139 C140K139-V142 PolarHBondContact O-N 2.76Å; C140-V142 VanDerWaalsContact C-N 3.34Å
143D88.8Confident90Very high120 Ų12067.7 Ų67.764%0.64238%0.378SS*.SBendtrans-107.497.7-177.7-59.4-37.4000108.8K139 C140 P145K139-D143 PolarHBondContact O-N 3.31Å; C140-D143 WeakPolarHBondContact CA-O 3.45Å; D143-P145 WeakPolarHBondContact O-CD 3.39Å; D143-P145 VanDerWaalsContact O-N 3.14Å
144E91.7Very high91Very high79 Ų7967.3 Ų67.337%0.36938%0.376SS..  trans-63.6112.3-175.6-60.8-173.3-15500110.5S98 Y155S98-E144 WeakPolarHBondContact CB-OE1 3.5Å; S98-E144 PolarHBondContact N-OE1 3.42Å; S98-E144 PolarHBondContact OG-OE1 2.9Å; E144-Y155 HydrophobicContact CB-CE1 4.16Å; E144-Y155 HydrophobicContact CG-CE2 4.18Å; E144-Y155 VanDerWaalsContact CG-OH 3.28Å; E144-Y155 WeakPolarHBondContact CG-OH 3.45Å; E144-Y155 PolarHBondContact OE2-OH 3.37Å
145P94Very high91.9Very high18 Ų1863 Ų6312%0.11735%0.352CS..PPolyproline II helixtrans-71.2150.1-17527.9-34.3000111.9C140 D143 D149 Y152 Y155C140-P145 HydrophobicContact CB-CG 3.9Å; D143-P145 WeakPolarHBondContact O-CD 3.39Å; D143-P145 VanDerWaalsContact O-N 3.14Å; P145-D149 WeakPolarHBondContact CA-OD2 3.47Å; P145-D149 HydrophobicContact CB-CB 3.68Å; P145-D149 WeakPolarHBondContact CB-OD2 3.44Å; P145-Y152 HydrophobicContact CG-CD2 4.47Å; P145-Y152 WeakPolarHBondContact O-CD2 3.45Å; P145-Y155 VanDerWaalsContact CG-CB 3.49Å; P145-Y155 HydrophobicContact CG-CD1 3.75Å; P145-Y155 HydrophobicContact CG-CG 3.69Å
146S93.1Very high92.4Very high80 Ų8064.2 Ų64.256%0.55936%0.359SS*.PPolyproline II helixtrans-88.5165.2171.4-63.40000111.6G148 D149 Y152S146-G148 PolarHBondContact O-N 3.46Å; S146-D149 PolarHBondContact N-OD2 3.47Å; S146-D149 WeakPolarHBondContact O-CB 3.33Å; S146-D149 PolarHBondContact O-N 3.32Å; S146-D149 VanDerWaalsContact O-N 3.11Å; S146-Y152 VanDerWaalsContact C-CD2 3.44Å; S146-Y152 VanDerWaalsContact O-CD2 3.28Å; S146-Y152 WeakPolarHBondContact O-CD2 3.39Å
147E91.5Very high92.9Very high163 Ų16362.5 Ų62.576%0.76235%0.35SS*.THydrogen-bonded Turntrans-55.3124.1172.4-75.9-176.1179.600110.8Y152E147-Y152 HydrophobicContact CB-CE1 4.48Å; E147-Y152 HydrophobicContact CG-CD1 4.36Å; E147-Y152 HydrophobicContact CG-CE1 3.61Å; E147-Y152 HydrophobicContact CG-CE2 3.9Å; E147-Y152 VanDerWaalsContact CG-OH 3.28Å; E147-Y152 WeakPolarHBondContact CG-OH 3.11Å; E147-Y152 PolarHBondContact OE1-OH 3.15Å
148G90.9Very high93.1Very high77 Ų7762.2 Ų62.279%0.79435%0.348SS*.THydrogen-bonded Turntrans105.5-15.2-178.100000114.5S146S146-G148 PolarHBondContact O-N 3.46Å
149D93.6Very high93.4Very high77 Ų7763.5 Ų63.541%0.41235%0.351SS..SBendtrans-69.8146173.9-71.4-33.7000111.4P145 S146 F151 Y152P145-D149 WeakPolarHBondContact CA-OD2 3.47Å; P145-D149 HydrophobicContact CB-CB 3.68Å; P145-D149 WeakPolarHBondContact CB-OD2 3.44Å; S146-D149 PolarHBondContact N-OD2 3.47Å; S146-D149 WeakPolarHBondContact O-CB 3.33Å; S146-D149 PolarHBondContact O-N 3.32Å; S146-D149 VanDerWaalsContact O-N 3.11Å; D149-F151 PolarHBondContact O-N 3.29Å; D149-Y152 VanDerWaalsContact O-CB 3.29Å; D149-Y152 WeakPolarHBondContact O-CB 3.39Å; D149-Y152 PolarHBondContact O-N 3.24Å
150P91.7Very high93.8Very high116 Ų11660 Ų6075%0.75334%0.337SS*.THydrogen-bonded Turntrans-56.3-29.3-176-27.134.6000114.8
151F94.4Very high94.1Very high76 Ų7659.9 Ų59.933%0.33334%0.336SS..THydrogen-bonded Turntrans-102.67.9-177.5-54.2-51.9000113.7D136 H137 C140 D149 T153 T154 Y155D136-F151 HydrophobicContact CB-CE2 4.33Å; D136-F151 HydrophobicContact CB-CZ 3.86Å; H137-F151 HydrophobicContact CB-CD1 3.56Å; H137-F151 HydrophobicContact CB-CE1 3.8Å; H137-F151 HydrophobicContact CB-CG 4.15Å; C140-F151 HydrophobicContact CB-CB 4.25Å; D149-F151 PolarHBondContact O-N 3.29Å; F151-T153 PolarHBondContact O-N 3.29Å; F151-T154 PolarHBondContact O-N 3.28Å; F151-Y155 WeakPolarHBondContact O-CB 3.22Å; F151-Y155 PolarHBondContact O-N 2.91Å
152Y95.8Very high94.4Very high62 Ų6259.5 Ų59.524%0.24333%0.333CS..Hα-helixtrans-58-47.2-179.1-177.8-105.6000111.9P145 S146 E147 D149 T154 Y155 I156P145-Y152 HydrophobicContact CG-CD2 4.47Å; P145-Y152 WeakPolarHBondContact O-CD2 3.45Å; S146-Y152 VanDerWaalsContact C-CD2 3.44Å; S146-Y152 VanDerWaalsContact O-CD2 3.28Å; S146-Y152 WeakPolarHBondContact O-CD2 3.39Å; E147-Y152 HydrophobicContact CB-CE1 4.48Å; E147-Y152 HydrophobicContact CG-CD1 4.36Å; E147-Y152 HydrophobicContact CG-CE1 3.61Å; E147-Y152 HydrophobicContact CG-CE2 3.9Å; E147-Y152 VanDerWaalsContact CG-OH 3.28Å; E147-Y152 WeakPolarHBondContact CG-OH 3.11Å; E147-Y152 PolarHBondContact OE1-OH 3.15Å; D149-Y152 VanDerWaalsContact O-CB 3.29Å; D149-Y152 WeakPolarHBondContact O-CB 3.39Å; D149-Y152 PolarHBondContact O-N 3.24Å; Y152-T154 PolarHBondContact O-N 3.5Å; Y152-Y155 WeakPolarHBondContact O-CB 3.49Å; Y152-Y155 PolarHBondContact O-N 3.13Å; Y152-I156 HydrophobicContact CD1-CG1 4.22Å; Y152-I156 HydrophobicContact CD2-CG1 4.48Å; Y152-I156 HydrophobicContact CE1-CD1 4.37Å; Y152-I156 HydrophobicContact CE1-CG1 3.81Å; Y152-I156 HydrophobicContact CE2-CD1 3.99Å; Y152-I156 HydrophobicContact CE2-CG1 4.08Å; Y152-I156 WeakPolarHBondContact O-CG1 3.3Å; Y152-I156 PolarHBondContact O-N 3.47Å
153T96Very high94.8Very high80 Ų8055.6 Ų55.649%0.49131%0.308SS..Hα-helixtrans-59.3-46.9178.4-52.40000111.9F151 Y155 I156 L157 P179F151-T153 PolarHBondContact O-N 3.29Å; T153-Y155 VanDerWaalsContact C-N 3.32Å; T153-Y155 PolarHBondContact O-N 3.45Å; T153-I156 PolarHBondContact O-N 3.42Å; T153-L157 HydrophobicContact CG2-CD1 4.32Å; T153-L157 WeakPolarHBondContact O-CG 3.44Å; T153-L157 PolarHBondContact O-N 2.99Å; T153-P179 HydrophobicContact CG2-CB 4.03Å
154T96.8Very high95Very high5 Ų552.2 Ų52.23%0.03129%0.288CS..Hα-helixtrans-61.3-41.2177.2-56.40000111.5H137 F151 Y152 L157 F158 G176H137-T154 HydrophobicContact CB-CG2 4.29Å; F151-T154 PolarHBondContact O-N 3.28Å; Y152-T154 PolarHBondContact O-N 3.5Å; T154-L157 PolarHBondContact O-N 2.84Å; T154-F158 HydrophobicContact CG2-CD1 4.35Å; T154-F158 HydrophobicContact CG2-CD2 4.19Å; T154-F158 HydrophobicContact CG2-CE1 3.86Å; T154-F158 HydrophobicContact CG2-CE2 3.7Å; T154-F158 HydrophobicContact CG2-CZ 3.53Å; T154-F158 VanDerWaalsContact O-CG 3.29Å; T154-F158 WeakPolarHBondContact O-CG 3.41Å; T154-F158 PolarHBondContact O-N 2.8Å; T154-G176 WeakPolarHBondContact CG2-O 3.3Å; T154-G176 PolarHBondContact OG1-O 2.99Å
155Y97.1Very high95.1Very high7 Ų749.2 Ų49.23%0.02727%0.274CS..Hα-helixtrans-60.7-47.2176.1176.6-120.4000112.4P96 C140 E144 P145 F151 Y152 T153 L157 F158 R159P96-Y155 HydrophobicContact CB-CE2 4.25Å; C140-Y155 HydrophobicContact CB-CD2 4.22Å; C140-Y155 HydrophobicContact CB-CG 4.38Å; C140-Y155 WeakPolarHBondContact O-CD2 3.12Å; E144-Y155 HydrophobicContact CB-CE1 4.16Å; E144-Y155 HydrophobicContact CG-CE2 4.18Å; E144-Y155 VanDerWaalsContact CG-OH 3.28Å; E144-Y155 WeakPolarHBondContact CG-OH 3.45Å; E144-Y155 PolarHBondContact OE2-OH 3.37Å; P145-Y155 VanDerWaalsContact CG-CB 3.49Å; P145-Y155 HydrophobicContact CG-CD1 3.75Å; P145-Y155 HydrophobicContact CG-CG 3.69Å; F151-Y155 WeakPolarHBondContact O-CB 3.22Å; F151-Y155 PolarHBondContact O-N 2.91Å; Y152-Y155 WeakPolarHBondContact O-CB 3.49Å; Y152-Y155 PolarHBondContact O-N 3.13Å; T153-Y155 VanDerWaalsContact C-N 3.32Å; T153-Y155 PolarHBondContact O-N 3.45Å; Y155-L157 VanDerWaalsContact C-N 3.34Å; Y155-L157 PolarHBondContact O-N 3.41Å; Y155-F158 PolarHBondContact O-N 2.98Å; Y155-R159 HydrophobicContact CD2-CG 4.43Å; Y155-R159 HydrophobicContact CE1-CG 4.42Å; Y155-R159 HydrophobicContact CE2-CG 3.99Å; Y155-R159 VanDerWaalsContact CZ-CD 3.49Å; Y155-R159 WeakPolarHBondContact O-CG 3.48Å; Y155-R159 PolarHBondContact O-N 2.64Å
156I97.2Very high95.1Very high49 Ų4949.4 Ų49.425%0.25128%0.279SS..Hα-helixtrans-59.9-46.4176.8-65.4-57.3000110.5Y152 T153 F158 R159 E160Y152-I156 HydrophobicContact CD1-CG1 4.22Å; Y152-I156 HydrophobicContact CD2-CG1 4.48Å; Y152-I156 HydrophobicContact CE1-CD1 4.37Å; Y152-I156 HydrophobicContact CE1-CG1 3.81Å; Y152-I156 HydrophobicContact CE2-CD1 3.99Å; Y152-I156 HydrophobicContact CE2-CG1 4.08Å; Y152-I156 WeakPolarHBondContact O-CG1 3.3Å; Y152-I156 PolarHBondContact O-N 3.47Å; T153-I156 PolarHBondContact O-N 3.42Å; I156-F158 VanDerWaalsContact C-N 3.31Å; I156-F158 PolarHBondContact O-N 3.44Å; I156-R159 PolarHBondContact O-N 2.95Å; I156-R159 VanDerWaalsContact O-N 3.16Å; I156-E160 HydrophobicContact CG2-CG 4.21Å; I156-E160 WeakPolarHBondContact O-CB 3.46Å; I156-E160 VanDerWaalsContact O-CG 3.3Å; I156-E160 WeakPolarHBondContact O-CG 3.15Å; I156-E160 PolarHBondContact O-N 3.37Å
157L97.8Very high95.1Very high17 Ų1746 Ų469%0.08925%0.253CS..Hα-helixtrans-59.6-39.9176.5-68.6172000112.4T153 T154 Y155 E160 Y161 P179 L182 E183 M186T153-L157 HydrophobicContact CG2-CD1 4.32Å; T153-L157 WeakPolarHBondContact O-CG 3.44Å; T153-L157 PolarHBondContact O-N 2.99Å; T154-L157 PolarHBondContact O-N 2.84Å; Y155-L157 VanDerWaalsContact C-N 3.34Å; Y155-L157 PolarHBondContact O-N 3.41Å; L157-E160 PolarHBondContact O-N 3.42Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.23Å; L157-Y161 PolarHBondContact O-N 2.9Å; L157-P179 HydrophobicContact CD1-CB 3.73Å; L157-P179 VanDerWaalsContact CD1-O 3.25Å; L157-P179 WeakPolarHBondContact CD1-O 3.45Å; L157-L182 HydrophobicContact CB-CD2 4.02Å; L157-L182 HydrophobicContact CD1-CB 4.35Å; L157-L182 HydrophobicContact CD1-CD2 4.18Å; L157-L182 HydrophobicContact CD1-CG 4.29Å; L157-E183 HydrophobicContact CD1-CB 4.39Å; L157-E183 HydrophobicContact CD2-CB 4.01Å; L157-E183 HydrophobicContact CD2-CG 4.04Å; L157-M186 HydrophobicContact CB-SD 4.24Å; L157-M186 HydrophobicContact CD2-SD 4.19Å
158F97.5Very high95.2Very high0 Ų038.2 Ų38.20%022%0.217CC..Hα-helixtrans-64.1-40.2175.6-71.3-9.8000112.9P96 H137 L141 T154 Y155 I156 W162 L168 I172 L182P96-F158 HydrophobicContact CB-CB 4.45Å; H137-F158 AromaticContact CD2-CZ 3.82Å; L141-F158 HydrophobicContact CD2-CB 4.45Å; L141-F158 HydrophobicContact CD2-CD2 3.71Å; L141-F158 HydrophobicContact CD2-CE2 4.43Å; L141-F158 HydrophobicContact CG-CD2 4.4Å; T154-F158 HydrophobicContact CG2-CD1 4.35Å; T154-F158 HydrophobicContact CG2-CD2 4.19Å; T154-F158 HydrophobicContact CG2-CE1 3.86Å; T154-F158 HydrophobicContact CG2-CE2 3.7Å; T154-F158 HydrophobicContact CG2-CZ 3.53Å; T154-F158 VanDerWaalsContact O-CG 3.29Å; T154-F158 WeakPolarHBondContact O-CG 3.41Å; T154-F158 PolarHBondContact O-N 2.8Å; Y155-F158 PolarHBondContact O-N 2.98Å; I156-F158 VanDerWaalsContact C-N 3.31Å; I156-F158 PolarHBondContact O-N 3.44Å; F158-W162 WeakPolarHBondContact O-CB 3.33Å; F158-W162 PolarHBondContact O-N 3.32Å; F158-L168 HydrophobicContact CB-CD1 3.98Å; F158-L168 HydrophobicContact CB-CD2 3.98Å; F158-L168 HydrophobicContact CD1-CD1 3.87Å; F158-L168 HydrophobicContact CD2-CD2 4.11Å; F158-L168 HydrophobicContact CG-CD1 4Å; F158-L168 HydrophobicContact CG-CD2 3.99Å; F158-I172 HydrophobicContact CD1-CG2 4.02Å; F158-I172 HydrophobicContact CE1-CG2 4Å; F158-I172 WeakPolarHBondContact CE1-O 3.38Å; F158-L182 HydrophobicContact CD1-CD2 4.13Å; F158-L182 HydrophobicContact CE1-CD2 3.86Å
159R96.9Very high95.4Very high65 Ų6534.5 Ų34.525%0.24518%0.179CC..Hα-helixtrans-64.5-48.4173.7-67.7-178.182.2-151.93.4111.7P96 Y155 I156 Y161 W162 F163P96-R159 HydrophobicContact CB-CG 3.86Å; P96-R159 HydrophobicContact CG-CB 4.45Å; P96-R159 HydrophobicContact CG-CG 4.01Å; Y155-R159 HydrophobicContact CD2-CG 4.43Å; Y155-R159 HydrophobicContact CE1-CG 4.42Å; Y155-R159 HydrophobicContact CE2-CG 3.99Å; Y155-R159 VanDerWaalsContact CZ-CD 3.49Å; Y155-R159 WeakPolarHBondContact O-CG 3.48Å; Y155-R159 PolarHBondContact O-N 2.64Å; I156-R159 PolarHBondContact O-N 2.95Å; I156-R159 VanDerWaalsContact O-N 3.16Å; R159-Y161 VanDerWaalsContact C-N 3.29Å; R159-Y161 PolarHBondContact O-N 3.47Å; R159-W162 WeakPolarHBondContact O-CB 3.41Å; R159-W162 PolarHBondContact O-N 2.97Å; R159-W162 VanDerWaalsContact O-N 3.1Å; R159-F163 HydrophobicContact CB-CD2 4.41Å; R159-F163 HydrophobicContact CB-CE2 3.83Å; R159-F163 HydrophobicContact CB-CZ 4.27Å; R159-F163 WeakPolarHBondContact O-CD2 3.31Å; R159-F163 VanDerWaalsContact O-CG 3.24Å; R159-F163 WeakPolarHBondContact O-CG 3.17Å; R159-F163 PolarHBondContact O-N 3.34Å
160E97Very high95.5Very high51 Ų5131.5 Ų31.524%0.23816%0.163CC..Hα-helixtrans-57.9-44.2177.9-70.7-56.512400111.3R29 I156 L157 W162 F163 Q164 M186R29-E160 IonicContact CZ-OE1 3.96Å; R29-E160 IonicContact CZ-OE2 2.83Å; R29-E160 IonicContact NH1-OE1 3.85Å; R29-E160 PolarHBondContact NH1-OE1 3.35Å; R29-E160 IonicContact NH1-OE2 3.81Å; R29-E160 PolarHBondContact NH1-OE2 2.86Å; R29-E160 IonicContact NH2-OE1 3.8Å; R29-E160 IonicContact NH2-OE2 3.03Å; R29-E160 PolarHBondContact NH2-OE2 3.39Å; I156-E160 HydrophobicContact CG2-CG 4.21Å; I156-E160 WeakPolarHBondContact O-CB 3.46Å; I156-E160 VanDerWaalsContact O-CG 3.3Å; I156-E160 WeakPolarHBondContact O-CG 3.15Å; I156-E160 PolarHBondContact O-N 3.37Å; L157-E160 PolarHBondContact O-N 3.42Å; E160-W162 PolarHBondContact O-N 2.53Å; E160-F163 PolarHBondContact O-N 3.12Å; E160-Q164 WeakPolarHBondContact O-CG 3.07Å; E160-Q164 PolarHBondContact O-N 3.28Å; E160-Q164 VanDerWaalsContact O-N 3.07Å; E160-M186 HydrophobicContact CB-CE 3.98Å
161Y97.5Very high95.7Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-61.4-45.2174.8-170.7-88.4000111.7L157 R159 F163 Q164 W165 R167 L168 N169 Y171 I172 M186 K189L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.23Å; L157-Y161 PolarHBondContact O-N 2.9Å; R159-Y161 VanDerWaalsContact C-N 3.29Å; R159-Y161 PolarHBondContact O-N 3.47Å; Y161-F163 PolarHBondContact O-N 2.91Å; Y161-Q164 PolarHBondContact O-N 2.94Å; Y161-W165 HydrophobicContact CD1-CB 4.35Å; Y161-W165 AromaticContact CD2-CD1 3.54Å; Y161-W165 HydrophobicContact CD2-CG 4.44Å; Y161-W165 AromaticContact CD2-NE1 4Å; Y161-W165 HydrophobicContact CE1-CB 3.93Å; Y161-W165 HydrophobicContact CE1-CG 4.1Å; Y161-W165 AromaticContact CE2-CD1 3.42Å; Y161-W165 VanDerWaalsContact CE2-CD1 3.42Å; Y161-W165 HydrophobicContact CE2-CG 4.02Å; Y161-W165 AromaticContact CE2-NE1 3.75Å; Y161-W165 AromaticContact CG-CD1 3.92Å; Y161-W165 AromaticContact CZ-CD1 3.69Å; Y161-W165 AromaticContact CZ-CG 3.83Å; Y161-W165 WeakPolarHBondContact O-CB 3.42Å; Y161-W165 VanDerWaalsContact O-CD1 3.31Å; Y161-W165 PolarHBondContact O-N 2.87Å; Y161-R167 WeakPolarHBondContact CD1-O 3.38Å; Y161-R167 WeakPolarHBondContact CE1-O 3.38Å; Y161-L168 HydrophobicContact CD1-CD1 3.95Å; Y161-L168 HydrophobicContact CG-CD1 4.48Å; Y161-N169 PolarHBondContact OH-OD1 3.2Å; Y161-Y171 PolarHBondContact OH-OH 3.31Å; Y161-I172 HydrophobicContact CD1-CG1 4.13Å; Y161-I172 HydrophobicContact CD1-CG2 4.26Å; Y161-I172 HydrophobicContact CD2-CD1 3.85Å; Y161-I172 HydrophobicContact CD2-CG1 4.14Å; Y161-I172 HydrophobicContact CD2-CG2 4.39Å; Y161-I172 HydrophobicContact CE1-CB 4.49Å; Y161-I172 HydrophobicContact CE1-CD1 4.33Å; Y161-I172 HydrophobicContact CE1-CG1 3.67Å; Y161-I172 HydrophobicContact CE2-CD1 3.37Å; Y161-I172 HydrophobicContact CE2-CG1 3.69Å; Y161-I172 HydrophobicContact CG-CD1 4.5Å; Y161-I172 HydrophobicContact CG-CG1 4.35Å; Y161-I172 HydrophobicContact CG-CG2 4.13Å; Y161-I172 VanDerWaalsContact CZ-CG1 3.43Å; Y161-M186 HydrophobicContact CD2-CE 4.25Å; Y161-M186 HydrophobicContact CD2-CG 4Å; Y161-M186 HydrophobicContact CD2-SD 4.18Å; Y161-K189 HydrophobicContact CE2-CD 4.34Å; Y161-K189 PolarHBondContact OH-NZ 2.92Å
162W96.5Very high95.8Very high1 Ų122.3 Ų22.30%0.00411%0.111CC..Hα-helixtrans-58.8-48176.6-179.5-84.4000112.1L26 R90 I91 A95 P96 I100 F158 R159 E160 Q164 W165 G166 L168L26-W162 PolarHBondContact O-NE1 3.14Å; R90-W162 VanDerWaalsContact NH1-CZ3 3.31Å; I91-W162 HydrophobicContact CB-CH2 4.22Å; I91-W162 HydrophobicContact CG1-CH2 3.83Å; I91-W162 HydrophobicContact CG1-CZ2 4.2Å; I91-W162 HydrophobicContact CG2-CH2 4.1Å; I91-W162 HydrophobicContact CG2-CZ2 4.18Å; A95-W162 VanDerWaalsContact CA-CZ3 3.48Å; A95-W162 HydrophobicContact CB-CE3 4.39Å; A95-W162 HydrophobicContact CB-CH2 3.56Å; A95-W162 HydrophobicContact CB-CZ2 3.8Å; A95-W162 HydrophobicContact CB-CZ3 3.88Å; P96-W162 HydrophobicContact CG-CB 3.71Å; P96-W162 HydrophobicContact CG-CD2 4.39Å; P96-W162 HydrophobicContact CG-CG 4.01Å; I100-W162 HydrophobicContact CG2-CZ2 3.93Å; F158-W162 WeakPolarHBondContact O-CB 3.33Å; F158-W162 PolarHBondContact O-N 3.32Å; R159-W162 WeakPolarHBondContact O-CB 3.41Å; R159-W162 PolarHBondContact O-N 2.97Å; R159-W162 VanDerWaalsContact O-N 3.1Å; E160-W162 PolarHBondContact O-N 2.53Å; W162-Q164 PolarHBondContact O-N 3.18Å; W162-W165 PolarHBondContact O-N 3.3Å; W162-G166 VanDerWaalsContact O-CA 3.24Å; W162-G166 WeakPolarHBondContact O-CA 3.29Å; W162-G166 PolarHBondContact O-N 3.16Å; W162-L168 HydrophobicContact CE3-CB 3.88Å; W162-L168 VanDerWaalsContact CE3-N 3.29Å; W162-L168 HydrophobicContact CZ3-CB 4.35Å
163F95.4Very high95.8Very high25 Ų2519.5 Ų19.511%0.1110%0.1CC..Hα-helixtrans-64.2-32.6-178.6-59.8-40.5000112.5S27 R29 R159 E160 Y161S27-F163 WeakPolarHBondContact O-CA 3.47Å; S27-F163 WeakPolarHBondContact O-CD1 3.36Å; R29-F163 HydrophobicContact CG-CB 3.96Å; R29-F163 HydrophobicContact CG-CD1 4.43Å; R29-F163 HydrophobicContact CG-CD2 3.82Å; R29-F163 HydrophobicContact CG-CE2 4.42Å; R29-F163 HydrophobicContact CG-CG 3.83Å; R159-F163 HydrophobicContact CB-CD2 4.41Å; R159-F163 HydrophobicContact CB-CE2 3.83Å; R159-F163 HydrophobicContact CB-CZ 4.27Å; R159-F163 WeakPolarHBondContact O-CD2 3.31Å; R159-F163 VanDerWaalsContact O-CG 3.24Å; R159-F163 WeakPolarHBondContact O-CG 3.17Å; R159-F163 PolarHBondContact O-N 3.34Å; E160-F163 PolarHBondContact O-N 3.12Å; Y161-F163 PolarHBondContact O-N 2.91Å
164Q93.3Very high95.8Very high49 Ų4915.7 Ų15.723%0.2298%0.077CC..Hα-helixtrans-77.1-43.6177.3-71.6174.94.100112.4E160 Y161 W162 R194E160-Q164 WeakPolarHBondContact O-CG 3.07Å; E160-Q164 PolarHBondContact O-N 3.28Å; E160-Q164 VanDerWaalsContact O-N 3.07Å; Y161-Q164 PolarHBondContact O-N 2.94Å; W162-Q164 PolarHBondContact O-N 3.18Å; Q164-R194 PolarHBondContact O-NH1 3.4Å
165W93.5Very high95.9Very high16 Ų1615.5 Ų15.56%0.0618%0.076CC..Hα-helixtrans-109.1-5.9-165.9-63.895.6000114.7Y161 W162 R167 K189 F193 Y205 F223Y161-W165 HydrophobicContact CD1-CB 4.35Å; Y161-W165 AromaticContact CD2-CD1 3.54Å; Y161-W165 HydrophobicContact CD2-CG 4.44Å; Y161-W165 AromaticContact CD2-NE1 4Å; Y161-W165 HydrophobicContact CE1-CB 3.93Å; Y161-W165 HydrophobicContact CE1-CG 4.1Å; Y161-W165 AromaticContact CE2-CD1 3.42Å; Y161-W165 VanDerWaalsContact CE2-CD1 3.42Å; Y161-W165 HydrophobicContact CE2-CG 4.02Å; Y161-W165 AromaticContact CE2-NE1 3.75Å; Y161-W165 AromaticContact CG-CD1 3.92Å; Y161-W165 AromaticContact CZ-CD1 3.69Å; Y161-W165 AromaticContact CZ-CG 3.83Å; Y161-W165 WeakPolarHBondContact O-CB 3.42Å; Y161-W165 VanDerWaalsContact O-CD1 3.31Å; Y161-W165 PolarHBondContact O-N 2.87Å; W162-W165 PolarHBondContact O-N 3.3Å; W165-R167 PolarHBondContact O-N 3.18Å; W165-K189 HydrophobicContact CH2-CD 4.15Å; W165-K189 VanDerWaalsContact CH2-CE 3.44Å; W165-K189 HydrophobicContact CH2-CG 4Å; W165-K189 HydrophobicContact CZ2-CB 4.49Å; W165-K189 HydrophobicContact CZ2-CD 3.67Å; W165-K189 VanDerWaalsContact CZ2-CE 3.41Å; W165-K189 HydrophobicContact CZ2-CG 3.62Å; W165-F193 HydrophobicContact CH2-CB 3.72Å; W165-F193 HydrophobicContact CH2-CD2 4.33Å; W165-F193 HydrophobicContact CH2-CG 4.25Å; W165-F193 HydrophobicContact CZ3-CB 4.49Å; W165-Y205 HydrophobicContact CZ3-CE1 4.26Å; W165-F223 HydrophobicContact CE3-CZ 4.39Å
166G92.5Very high95.8Very high21 Ų2115.2 Ų15.222%0.2168%0.075CC..SBendtrans66.89.6-178.300000115.3S27 R90 W162S27-G166 WeakPolarHBondContact OG-CA 3.48Å; R90-G166 PolarHBondContact NH2-O 3.33Å; W162-G166 VanDerWaalsContact O-CA 3.24Å; W162-G166 WeakPolarHBondContact O-CA 3.29Å; W162-G166 PolarHBondContact O-N 3.16Å
167R93.7Very high95.7Very high8 Ų814.3 Ų14.33%0.037%0.069CC..SBendtrans-160.2151.4177.663.2-171.6-57.5145.92.3110.8R90 Y161 W165 N169 E316 D318R90-R167 VanDerWaalsContact NH1-CB 3.27Å; Y161-R167 WeakPolarHBondContact CD1-O 3.38Å; Y161-R167 WeakPolarHBondContact CE1-O 3.38Å; W165-R167 PolarHBondContact O-N 3.18Å; R167-N169 PolarHBondContact NE-ND2 2.89Å; R167-N169 VanDerWaalsContact NE-ND2 3.18Å; R167-E316 IonicContact CZ-OE2 2.87Å; R167-E316 IonicContact NE-OE2 2.81Å; R167-E316 IonicContact NH2-OE2 3.02Å; R167-E316 PolarHBondContact NH2-OE2 3.14Å; R167-D318 IonicContact CZ-OD1 3.12Å; R167-D318 IonicContact CZ-OD2 3.16Å; R167-D318 IonicContact NH1-OD1 2.69Å; R167-D318 IonicContact NH1-OD2 2.64Å; R167-D318 PolarHBondContact NH1-OD2 2.89Å; R167-D318 IonicContact NH2-OD1 2.75Å; R167-D318 PolarHBondContact NH2-OD1 3.11Å; R167-D318 IonicContact NH2-OD2 2.67Å; R167-D318 PolarHBondContact NH2-OD2 3.09Å
168L94.4Very high95.7Very high0 Ų013.6 Ų13.60%07%0.065CC..  trans-105107.8169.3-17365.7000108L141 F158 Y161 W162 I172 N173L141-L168 HydrophobicContact CD1-CD2 4Å; L141-L168 HydrophobicContact CD2-CD2 3.75Å; F158-L168 HydrophobicContact CB-CD1 3.98Å; F158-L168 HydrophobicContact CB-CD2 3.98Å; F158-L168 HydrophobicContact CD1-CD1 3.87Å; F158-L168 HydrophobicContact CD2-CD2 4.11Å; F158-L168 HydrophobicContact CG-CD1 4Å; F158-L168 HydrophobicContact CG-CD2 3.99Å; Y161-L168 HydrophobicContact CD1-CD1 3.95Å; Y161-L168 HydrophobicContact CG-CD1 4.48Å; W162-L168 HydrophobicContact CE3-CB 3.88Å; W162-L168 VanDerWaalsContact CE3-N 3.29Å; W162-L168 HydrophobicContact CZ3-CB 4.35Å; L168-I172 HydrophobicContact CD1-CB 4.15Å; L168-I172 HydrophobicContact CD1-CG2 3.56Å; L168-N173 WeakPolarHBondContact CD2-OD1 3.45Å; L168-N173 WeakPolarHBondContact CG-OD1 3.44Å
169N95Very high95.7Very high0 Ų014.8 Ų14.80%07%0.073CC..  trans-79151.1-175.4-66.8108.4000111.6Y161 R167 Y171 I172 N173 F223Y161-N169 PolarHBondContact OH-OD1 3.2Å; R167-N169 PolarHBondContact NE-ND2 2.89Å; R167-N169 VanDerWaalsContact NE-ND2 3.18Å; N169-Y171 HydrophobicContact CB-CD1 3.53Å; N169-Y171 HydrophobicContact CB-CE1 3.53Å; N169-Y171 HydrophobicContact CB-CG 4.49Å; N169-Y171 PolarHBondContact O-N 3.49Å; N169-Y171 VanDerWaalsContact O-N 3.16Å; N169-I172 HydrophobicContact CB-CG1 4.18Å; N169-I172 WeakPolarHBondContact O-CB 3.45Å; N169-I172 PolarHBondContact O-N 2.97Å; N169-N173 PolarHBondContact O-N 2.85Å; N169-N173 VanDerWaalsContact O-N 3.11Å; N169-F223 VanDerWaalsContact OD1-CE2 3.27Å; N169-F223 WeakPolarHBondContact OD1-CE2 3.37Å
170N94.7Very high95.7Very high13 Ų1316.6 Ų16.67%0.078%0.084CC..Hα-helixtrans-55.1-36.5177.8-77.7-21.1000113.2P127 I172 N173 V174 I313 R314 P315 E316P127-N170 HydrophobicContact CB-CB 3.63Å; P127-N170 WeakPolarHBondContact CB-OD1 3.38Å; N170-I172 VanDerWaalsContact C-N 3.31Å; N170-I172 PolarHBondContact O-N 3.43Å; N170-N173 WeakPolarHBondContact O-CB 3.22Å; N170-N173 PolarHBondContact O-N 3.17Å; N170-V174 PolarHBondContact O-N 3.42Å; N170-V174 VanDerWaalsContact O-N 3.14Å; N170-I313 HydrophobicContact CB-CG2 3.75Å; N170-R314 PolarHBondContact ND2-O 3.25Å; N170-P315 PolarHBondContact ND2-O 3.14Å; N170-E316 WeakPolarHBondContact CB-OE1 3.34Å; N170-E316 PolarHBondContact N-OE1 2.86Å
171Y96.3Very high95.8Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-69.9-29.2178.381.1-96.4000113Y161 N169 V174 M175 Y185 K189 Y219 L304 I308Y161-Y171 PolarHBondContact OH-OH 3.31Å; N169-Y171 HydrophobicContact CB-CD1 3.53Å; N169-Y171 HydrophobicContact CB-CE1 3.53Å; N169-Y171 HydrophobicContact CB-CG 4.49Å; N169-Y171 PolarHBondContact O-N 3.49Å; N169-Y171 VanDerWaalsContact O-N 3.16Å; Y171-V174 PolarHBondContact O-N 3.18Å; Y171-M175 HydrophobicContact CD2-CE 4.14Å; Y171-M175 HydrophobicContact CD2-SD 4Å; Y171-M175 HydrophobicContact CE2-CE 4.43Å; Y171-M175 HydrophobicContact CE2-SD 4.19Å; Y171-M175 WeakPolarHBondContact O-CG 3.35Å; Y171-M175 PolarHBondContact O-N 3.02Å; Y171-Y185 AromaticContact CE2-CE1 3.81Å; Y171-Y185 HydrophobicContact CE2-CE1 3.81Å; Y171-Y185 AromaticContact CE2-CZ 3.75Å; Y171-Y185 WeakPolarHBondContact CE2-OH 3.3Å; Y171-Y185 PolarHBondContact OH-OH 3.16Å; Y171-K189 PolarHBondContact OH-NZ 2.77Å; Y171-Y219 AromaticContact CD1-CE1 3.82Å; Y171-Y219 HydrophobicContact CD1-CE1 3.82Å; Y171-Y219 WeakPolarHBondContact CD1-OH 3.27Å; Y171-Y219 HydrophobicContact CE1-CE1 4.48Å; Y171-L304 HydrophobicContact CD2-CD1 3.85Å; Y171-L304 HydrophobicContact CE2-CD1 3.82Å; Y171-L304 HydrophobicContact CE2-CD2 4.48Å; Y171-L304 HydrophobicContact CG-CD1 4.46Å; Y171-I308 HydrophobicContact CD1-CD1 4.09Å; Y171-I308 HydrophobicContact CG-CD1 3.84Å
172I97.4Very high95.8Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-70.6-40.2174.2-61.7-68.8000109.8F158 Y161 L168 N169 N170 V174 M175 G176 L182 Y185F158-I172 HydrophobicContact CD1-CG2 4.02Å; F158-I172 HydrophobicContact CE1-CG2 4Å; F158-I172 WeakPolarHBondContact CE1-O 3.38Å; Y161-I172 HydrophobicContact CD1-CG1 4.13Å; Y161-I172 HydrophobicContact CD1-CG2 4.26Å; Y161-I172 HydrophobicContact CD2-CD1 3.85Å; Y161-I172 HydrophobicContact CD2-CG1 4.14Å; Y161-I172 HydrophobicContact CD2-CG2 4.39Å; Y161-I172 HydrophobicContact CE1-CB 4.49Å; Y161-I172 HydrophobicContact CE1-CD1 4.33Å; Y161-I172 HydrophobicContact CE1-CG1 3.67Å; Y161-I172 HydrophobicContact CE2-CD1 3.37Å; Y161-I172 HydrophobicContact CE2-CG1 3.69Å; Y161-I172 HydrophobicContact CG-CD1 4.5Å; Y161-I172 HydrophobicContact CG-CG1 4.35Å; Y161-I172 HydrophobicContact CG-CG2 4.13Å; Y161-I172 VanDerWaalsContact CZ-CG1 3.43Å; L168-I172 HydrophobicContact CD1-CB 4.15Å; L168-I172 HydrophobicContact CD1-CG2 3.56Å; N169-I172 HydrophobicContact CB-CG1 4.18Å; N169-I172 WeakPolarHBondContact O-CB 3.45Å; N169-I172 PolarHBondContact O-N 2.97Å; N170-I172 VanDerWaalsContact C-N 3.31Å; N170-I172 PolarHBondContact O-N 3.43Å; I172-V174 VanDerWaalsContact C-N 3.25Å; I172-V174 PolarHBondContact O-N 3.17Å; I172-M175 HydrophobicContact CD1-SD 4.45Å; I172-M175 PolarHBondContact O-N 2.73Å; I172-G176 PolarHBondContact O-N 3.27Å; I172-L182 HydrophobicContact CD1-CD1 4.07Å; I172-L182 HydrophobicContact CG2-CD1 4.06Å; I172-L182 HydrophobicContact CG2-CD2 4.37Å; I172-Y185 HydrophobicContact CD1-CD1 4.26Å; I172-Y185 HydrophobicContact CD1-CE1 3.8Å
173N95.6Very high95.9Very high3 Ų318 Ų182%0.0169%0.09CC..Hα-helixtrans-55.1-44.2172.4-68.3-27.9000111P127 H137 M138 L168 N169 N170 G176P127-N173 HydrophobicContact CB-CB 4.07Å; P127-N173 HydrophobicContact CG-CB 4.08Å; H137-N173 PolarHBondContact NE2-O 3.2Å; M138-N173 HydrophobicContact CE-CB 3.95Å; M138-N173 VanDerWaalsContact CE-CG 3.48Å; M138-N173 HydrophobicContact CG-CB 4.48Å; M138-N173 HydrophobicContact SD-CB 3.68Å; L168-N173 WeakPolarHBondContact CD2-OD1 3.45Å; L168-N173 WeakPolarHBondContact CG-OD1 3.44Å; N169-N173 PolarHBondContact O-N 2.85Å; N169-N173 VanDerWaalsContact O-N 3.11Å; N170-N173 WeakPolarHBondContact O-CB 3.22Å; N170-N173 PolarHBondContact O-N 3.17Å; N173-G176 PolarHBondContact O-N 3.28Å
174V96.3Very high96Very high0 Ų017.2 Ų17.20%09%0.088CC..Hα-helixtrans-70.2-40.3177.2-179.50000112.4P127 M135 N170 Y171 I172 G176 Y177 F307 C311 I313 I593P127-V174 HydrophobicContact CB-CG2 4.33Å; P127-V174 HydrophobicContact CG-CG2 4.13Å; M135-V174 HydrophobicContact SD-CG2 3.93Å; N170-V174 PolarHBondContact O-N 3.42Å; N170-V174 VanDerWaalsContact O-N 3.14Å; Y171-V174 PolarHBondContact O-N 3.18Å; I172-V174 VanDerWaalsContact C-N 3.25Å; I172-V174 PolarHBondContact O-N 3.17Å; V174-G176 PolarHBondContact O-N 3.26Å; V174-G176 VanDerWaalsContact O-N 3.16Å; V174-Y177 VanDerWaalsContact O-CD2 3.32Å; V174-Y177 WeakPolarHBondContact O-CD2 3.13Å; V174-Y177 PolarHBondContact O-N 2.96Å; V174-F307 HydrophobicContact CB-CE1 4.34Å; V174-F307 HydrophobicContact CB-CZ 4.23Å; V174-F307 HydrophobicContact CG1-CE1 4.39Å; V174-F307 HydrophobicContact CG1-CZ 3.91Å; V174-C311 HydrophobicContact CG1-CB 4.09Å; V174-I313 HydrophobicContact CB-CD1 3.92Å; V174-I313 HydrophobicContact CG1-CD1 4.43Å; V174-I313 HydrophobicContact CG2-CD1 3.45Å; V174-I313 VanDerWaalsContact CG2-CD1 3.45Å; V174-I593 HydrophobicContact CG1-CD1 3.58Å; V174-I593 HydrophobicContact CG1-CG1 3.97Å; V174-I593 HydrophobicContact CG1-CG2 4.19Å
175M97.4Very high96.3Very high0 Ų015.1 Ų15.10%08%0.078CC..Hα-helixtrans-60.4-24173.8-74.1178.7172.400112.8Y171 I172 Y177 H178 Y181 L182 Y185 L304 F307Y171-M175 HydrophobicContact CD2-CE 4.14Å; Y171-M175 HydrophobicContact CD2-SD 4Å; Y171-M175 HydrophobicContact CE2-CE 4.43Å; Y171-M175 HydrophobicContact CE2-SD 4.19Å; Y171-M175 WeakPolarHBondContact O-CG 3.35Å; Y171-M175 PolarHBondContact O-N 3.02Å; I172-M175 HydrophobicContact CD1-SD 4.45Å; I172-M175 PolarHBondContact O-N 2.73Å; M175-Y177 PolarHBondContact O-N 3.14Å; M175-H178 PolarHBondContact O-N 3.46Å; M175-Y181 HydrophobicContact CE-CE1 4.24Å; M175-Y181 HydrophobicContact SD-CE1 4.31Å; M175-L182 HydrophobicContact CB-CB 4.49Å; M175-L182 HydrophobicContact CB-CD1 3.95Å; M175-L182 HydrophobicContact SD-CD1 4.46Å; M175-Y185 HydrophobicContact CE-CD2 3.96Å; M175-Y185 HydrophobicContact CE-CE2 3.89Å; M175-Y185 HydrophobicContact CE-CG 4.36Å; M175-Y185 HydrophobicContact SD-CD1 3.86Å; M175-Y185 HydrophobicContact SD-CD2 4.14Å; M175-Y185 HydrophobicContact SD-CE1 4.05Å; M175-Y185 HydrophobicContact SD-CE2 4.32Å; M175-Y185 HydrophobicContact SD-CG 3.93Å; M175-L304 HydrophobicContact CE-CD1 4.02Å; M175-F307 HydrophobicContact CB-CZ 4.43Å; M175-F307 HydrophobicContact CE-CD1 3.82Å; M175-F307 HydrophobicContact CE-CD2 4.14Å; M175-F307 HydrophobicContact CE-CE1 3.92Å; M175-F307 HydrophobicContact CE-CE2 4.24Å; M175-F307 HydrophobicContact CE-CG 3.93Å; M175-F307 HydrophobicContact CE-CZ 4.13Å; M175-F307 HydrophobicContact CG-CE1 3.71Å; M175-F307 HydrophobicContact CG-CE2 4.03Å; M175-F307 HydrophobicContact CG-CZ 3.4Å; M175-F307 VanDerWaalsContact CG-CZ 3.4Å
176G96.5Very high96.5Very high1 Ų114.9 Ų14.91%0.018%0.078CC..THydrogen-bonded Turntrans-59.7-11.5177.900000116.1T154 I172 N173 V174 H178T154-G176 WeakPolarHBondContact CG2-O 3.3Å; T154-G176 PolarHBondContact OG1-O 2.99Å; I172-G176 PolarHBondContact O-N 3.27Å; N173-G176 PolarHBondContact O-N 3.28Å; V174-G176 PolarHBondContact O-N 3.26Å; V174-G176 VanDerWaalsContact O-N 3.16Å; G176-H178 PolarHBondContact O-N 3.44Å
177Y95Very high96.7Very high31 Ų3117.7 Ų17.712%0.1228%0.084CC..THydrogen-bonded Turntrans-58-30.5165.5-86.3-68.5000112.6L133 N134 M135 H137 V174 M175 I593L133-Y177 HydrophobicContact CD2-CE2 4.49Å; N134-Y177 PolarHBondContact N-OH 3.24Å; N134-Y177 WeakPolarHBondContact O-CE1 3.28Å; N134-Y177 PolarHBondContact O-OH 3.01Å; M135-Y177 HydrophobicContact CG-CD2 4.48Å; M135-Y177 HydrophobicContact CG-CE2 3.53Å; M135-Y177 WeakPolarHBondContact CG-OH 3.47Å; M135-Y177 PolarHBondContact N-OH 3.07Å; M135-Y177 HydrophobicContact SD-CE2 4.44Å; H137-Y177 AromaticContact CE1-CD2 3.85Å; H137-Y177 AromaticContact CE1-CG 3.84Å; H137-Y177 AromaticContact ND1-CD1 3.93Å; V174-Y177 VanDerWaalsContact O-CD2 3.32Å; V174-Y177 WeakPolarHBondContact O-CD2 3.13Å; V174-Y177 PolarHBondContact O-N 2.96Å; M175-Y177 PolarHBondContact O-N 3.14Å; Y177-I593 HydrophobicContact CD2-CB 4.33Å; Y177-I593 HydrophobicContact CD2-CG1 3.76Å; Y177-I593 HydrophobicContact CE2-CG1 3.98Å
178H97.2Very high97Very high1 Ų117.3 Ų17.31%0.0058%0.082CC..  trans-126.378.5-173.6-57.2-60.7000109.5M175 G176 E180 Y181 L182 L510 Y512 S590 H594 L597M175-H178 PolarHBondContact O-N 3.46Å; G176-H178 PolarHBondContact O-N 3.44Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 PolarHBondContact O-N 3.23Å; H178-Y181 PolarHBondContact O-N 2.92Å; H178-Y181 VanDerWaalsContact O-N 3.16Å; H178-L182 PolarHBondContact O-N 3.33Å; H178-L510 HydrophobicContact CB-CD2 3.98Å; H178-Y512 AromaticContact CE1-CE2 3.77Å; H178-Y512 AromaticContact ND1-CE2 3.4Å; H178-Y512 WeakPolarHBondContact ND1-CE2 3.49Å; H178-Y512 AromaticContact ND1-CZ 3.68Å; H178-Y512 PolarHBondContact ND1-OH 3.2Å; H178-S590 PolarHBondContact CE1-OG 2.72Å; H178-S590 PolarHBondContact NE2-O 3.2Å; H178-H594 PolarHBondContact NE2-N 2.92Å; H178-L597 HydrophobicContact CB-CD1 4.05Å
179P97Very high97.1Very high26 Ų2617.3 Ų17.317%0.1698%0.083CC..Hα-helixtrans-59-36.5-174.221-32.2000113.3T153 L157 Y181 L182 E183T153-P179 HydrophobicContact CG2-CB 4.03Å; L157-P179 HydrophobicContact CD1-CB 3.73Å; L157-P179 VanDerWaalsContact CD1-O 3.25Å; L157-P179 WeakPolarHBondContact CD1-O 3.45Å; P179-Y181 PolarHBondContact O-N 3.47Å; P179-L182 PolarHBondContact O-N 3.45Å; P179-E183 PolarHBondContact O-N 3.07Å
180E97.1Very high97.2Very high102 Ų10219.8 Ų19.848%0.47710%0.096SC..Hα-helixtrans-59.7-47176.5-66.4169.8-145.500111.7H178 E183 C184 L510H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 PolarHBondContact O-N 3.23Å; E180-E183 PolarHBondContact O-N 3.27Å; E180-C184 PolarHBondContact O-N 3.07Å; E180-C184 PolarHBondContact O-SG 3.48Å; E180-L510 HydrophobicContact CB-CD1 4.35Å; E180-L510 WeakPolarHBondContact OE2-CD1 3.46Å
181Y98.6Very high97.4Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-67.4-42175174.7-90.3000111.8M175 H178 P179 E183 C184 Y185 K503 N506 A507 L597 E601M175-Y181 HydrophobicContact CE-CE1 4.24Å; M175-Y181 HydrophobicContact SD-CE1 4.31Å; H178-Y181 PolarHBondContact O-N 2.92Å; H178-Y181 VanDerWaalsContact O-N 3.16Å; P179-Y181 PolarHBondContact O-N 3.47Å; Y181-E183 VanDerWaalsContact C-N 3.25Å; Y181-E183 PolarHBondContact O-N 3.21Å; Y181-C184 PolarHBondContact O-N 3.32Å; Y181-Y185 WeakPolarHBondContact O-CB 3Å; Y181-Y185 PolarHBondContact O-N 3.42Å; Y181-K503 HydrophobicContact CE2-CD 4.32Å; Y181-K503 HydrophobicContact CE2-CG 3.85Å; Y181-N506 WeakPolarHBondContact CA-OD1 3.44Å; Y181-N506 WeakPolarHBondContact CB-OD1 3.25Å; Y181-N506 PolarHBondContact N-OD1 3.19Å; Y181-A507 HydrophobicContact CD2-CB 3.89Å; Y181-A507 HydrophobicContact CE2-CB 3.89Å; Y181-L597 HydrophobicContact CD1-CD1 3.59Å; Y181-L597 HydrophobicContact CD1-CD2 3.72Å; Y181-L597 HydrophobicContact CD1-CG 4.23Å; Y181-L597 HydrophobicContact CD2-CD1 4.31Å; Y181-L597 HydrophobicContact CE1-CD1 4.12Å; Y181-L597 HydrophobicContact CE1-CD2 3.35Å; Y181-L597 HydrophobicContact CE1-CG 4.27Å; Y181-L597 HydrophobicContact CE2-CD2 4.47Å; Y181-L597 HydrophobicContact CG-CD1 3.71Å; Y181-L597 HydrophobicContact CG-CD2 4.44Å; Y181-E601 HydrophobicContact CE2-CG 3.92Å; Y181-E601 PolarHBondContact OH-OE1 3.31Å
182L98.4Very high97.5Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-58.1-40.2178.9174.859.2000111.1L157 F158 I172 M175 H178 P179 Y185 M186L157-L182 HydrophobicContact CB-CD2 4.02Å; L157-L182 HydrophobicContact CD1-CB 4.35Å; L157-L182 HydrophobicContact CD1-CD2 4.18Å; L157-L182 HydrophobicContact CD1-CG 4.29Å; F158-L182 HydrophobicContact CD1-CD2 4.13Å; F158-L182 HydrophobicContact CE1-CD2 3.86Å; I172-L182 HydrophobicContact CD1-CD1 4.07Å; I172-L182 HydrophobicContact CG2-CD1 4.06Å; I172-L182 HydrophobicContact CG2-CD2 4.37Å; M175-L182 HydrophobicContact CB-CB 4.49Å; M175-L182 HydrophobicContact CB-CD1 3.95Å; M175-L182 HydrophobicContact SD-CD1 4.46Å; H178-L182 PolarHBondContact O-N 3.33Å; P179-L182 PolarHBondContact O-N 3.45Å; L182-Y185 HydrophobicContact CD1-CD1 4.41Å; L182-Y185 PolarHBondContact O-N 3.36Å; L182-M186 HydrophobicContact CD1-CG 4Å; L182-M186 HydrophobicContact CD1-SD 4.04Å; L182-M186 HydrophobicContact CG-CG 4.4Å; L182-M186 HydrophobicContact CG-SD 3.96Å; L182-M186 WeakPolarHBondContact O-CB 3.35Å; L182-M186 WeakPolarHBondContact O-CG 3.33Å; L182-M186 PolarHBondContact O-N 2.9Å
183E98.3Very high97.5Very high82 Ų8220.4 Ų20.438%0.38310%0.098SC..Hα-helixtrans-61.3-50.3176.2-167.4-169.8152.700111.7L157 P179 E180 Y181 Y185 M186 K187L157-E183 HydrophobicContact CD1-CB 4.39Å; L157-E183 HydrophobicContact CD2-CB 4.01Å; L157-E183 HydrophobicContact CD2-CG 4.04Å; P179-E183 PolarHBondContact O-N 3.07Å; E180-E183 PolarHBondContact O-N 3.27Å; Y181-E183 VanDerWaalsContact C-N 3.25Å; Y181-E183 PolarHBondContact O-N 3.21Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.78Å; E183-M186 PolarHBondContact O-N 3.36Å; E183-M186 VanDerWaalsContact O-N 3.16Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.46Å; E183-K187 WeakPolarHBondContact OE1-CE 3.35Å; E183-K187 IonicContact OE1-NZ 2.94Å; E183-K187 PolarHBondContact OE1-NZ 3.34Å
184C98.2Very high97.5Very high9 Ų925.7 Ų25.76%0.06112%0.118CC..Hα-helixtrans-60.5-41.2176.6-61.60000111.7E180 Y181 M186 K187 L188 E502 K503E180-C184 PolarHBondContact O-N 3.07Å; E180-C184 PolarHBondContact O-SG 3.48Å; Y181-C184 PolarHBondContact O-N 3.32Å; C184-M186 PolarHBondContact O-N 2.84Å; C184-K187 PolarHBondContact O-N 3.07Å; C184-L188 PolarHBondContact O-N 2.87Å; C184-L188 VanDerWaalsContact O-N 3.11Å; C184-E502 PolarHBondContact SG-OE1 3.48Å; C184-E502 VanDerWaalsContact SG-OE1 3.39Å; C184-K503 HydrophobicContact CB-CB 4.26Å; C184-K503 HydrophobicContact CB-CG 4.5Å
185Y98.6Very high97.4Very high4 Ų426.4 Ų26.42%0.01613%0.125CC..Hα-helixtrans-59.7-45.1174.5174-89.5000111.7Y171 I172 M175 Y181 L182 E183 K189 H300 L304Y171-Y185 AromaticContact CE2-CE1 3.81Å; Y171-Y185 HydrophobicContact CE2-CE1 3.81Å; Y171-Y185 AromaticContact CE2-CZ 3.75Å; Y171-Y185 WeakPolarHBondContact CE2-OH 3.3Å; Y171-Y185 PolarHBondContact OH-OH 3.16Å; I172-Y185 HydrophobicContact CD1-CD1 4.26Å; I172-Y185 HydrophobicContact CD1-CE1 3.8Å; M175-Y185 HydrophobicContact CE-CD2 3.96Å; M175-Y185 HydrophobicContact CE-CE2 3.89Å; M175-Y185 HydrophobicContact CE-CG 4.36Å; M175-Y185 HydrophobicContact SD-CD1 3.86Å; M175-Y185 HydrophobicContact SD-CD2 4.14Å; M175-Y185 HydrophobicContact SD-CE1 4.05Å; M175-Y185 HydrophobicContact SD-CE2 4.32Å; M175-Y185 HydrophobicContact SD-CG 3.93Å; Y181-Y185 WeakPolarHBondContact O-CB 3Å; Y181-Y185 PolarHBondContact O-N 3.42Å; L182-Y185 HydrophobicContact CD1-CD1 4.41Å; L182-Y185 PolarHBondContact O-N 3.36Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.78Å; Y185-K189 HydrophobicContact CE1-CB 4.44Å; Y185-K189 HydrophobicContact CE1-CD 3.95Å; Y185-K189 VanDerWaalsContact O-CB 3.28Å; Y185-K189 WeakPolarHBondContact O-CB 3.49Å; Y185-K189 PolarHBondContact O-N 2.99Å; Y185-H300 AromaticContact CE2-CE1 3.35Å; Y185-H300 WeakPolarHBondContact CE2-CE1 3.41Å; Y185-H300 AromaticContact CE2-NE2 3.75Å; Y185-H300 AromaticContact CZ-CE1 3.85Å; Y185-H300 AromaticContact CZ-NE2 3.88Å; Y185-H300 PolarHBondContact OH-NE2 2.91Å; Y185-L304 HydrophobicContact CE2-CD1 4.3Å; Y185-L304 WeakPolarHBondContact OH-CD2 2.92Å
186M98.1Very high97.3Very high12 Ų1234 Ų346%0.05917%0.166CC..Hα-helixtrans-63.7-45.4178.7-75.6176.157.100111.9L157 E160 Y161 L182 E183 C184 K189 D190L157-M186 HydrophobicContact CB-SD 4.24Å; L157-M186 HydrophobicContact CD2-SD 4.19Å; E160-M186 HydrophobicContact CB-CE 3.98Å; Y161-M186 HydrophobicContact CD2-CE 4.25Å; Y161-M186 HydrophobicContact CD2-CG 4Å; Y161-M186 HydrophobicContact CD2-SD 4.18Å; L182-M186 HydrophobicContact CD1-CG 4Å; L182-M186 HydrophobicContact CD1-SD 4.04Å; L182-M186 HydrophobicContact CG-CG 4.4Å; L182-M186 HydrophobicContact CG-SD 3.96Å; L182-M186 WeakPolarHBondContact O-CB 3.35Å; L182-M186 WeakPolarHBondContact O-CG 3.33Å; L182-M186 PolarHBondContact O-N 2.9Å; E183-M186 PolarHBondContact O-N 3.36Å; E183-M186 VanDerWaalsContact O-N 3.16Å; C184-M186 PolarHBondContact O-N 2.84Å; M186-K189 PolarHBondContact O-N 2.97Å; M186-D190 WeakPolarHBondContact O-CB 3.44Å; M186-D190 PolarHBondContact O-N 3.37Å
187K98.1Very high97.3Very high79 Ų7934.7 Ų34.734%0.34317%0.169SC..Hα-helixtrans-57-51.8176.9-71.6174.4-173162.30111.6E183 C184 K189 D190 H191 L499 E502E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.46Å; E183-K187 WeakPolarHBondContact OE1-CE 3.35Å; E183-K187 IonicContact OE1-NZ 2.94Å; E183-K187 PolarHBondContact OE1-NZ 3.34Å; C184-K187 PolarHBondContact O-N 3.07Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K187-K189 PolarHBondContact O-N 3.16Å; K187-D190 PolarHBondContact O-N 2.76Å; K187-H191 WeakPolarHBondContact O-CB 3.37Å; K187-H191 PolarHBondContact O-N 3.3Å; K187-L499 HydrophobicContact CB-CD2 4.12Å; K187-E502 IonicContact NZ-OE1 3.87Å; K187-E502 PolarHBondContact NZ-OE1 2.9Å; K187-E502 VanDerWaalsContact NZ-OE1 3.14Å
188L98.4Very high97.3Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-62.2-43.5178.5179.870.5000111.5C184 H191 L192 L496 L499 L500 K503C184-L188 PolarHBondContact O-N 2.87Å; C184-L188 VanDerWaalsContact O-N 3.11Å; L188-H191 PolarHBondContact O-N 2.82Å; L188-L192 HydrophobicContact CD1-CD1 4.25Å; L188-L192 HydrophobicContact CD1-CG 4.18Å; L188-L192 HydrophobicContact CD2-CD1 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.89Å; L188-L192 HydrophobicContact CG-CG 4.22Å; L188-L192 WeakPolarHBondContact O-CB 3.2Å; L188-L192 VanDerWaalsContact O-CG 3.32Å; L188-L192 WeakPolarHBondContact O-CG 3.34Å; L188-L192 PolarHBondContact O-N 3.05Å; L188-L496 HydrophobicContact CD1-CD1 3.86Å; L188-L499 HydrophobicContact CD1-CB 3.8Å; L188-L500 HydrophobicContact CD1-CD2 4.19Å; L188-L500 HydrophobicContact CD1-CG 4.04Å; L188-L500 HydrophobicContact CD2-CD2 3.62Å; L188-L500 HydrophobicContact CD2-CG 4.34Å; L188-K503 HydrophobicContact CD2-CD 4.18Å
189K97.8Very high97.2Very high1 Ų136 Ų360%0.00418%0.181CC..Hα-helixtrans-62.2-44.9-179.4-172.8-173.3174.7173.70111.4Y161 W165 Y171 Y185 M186 K187 L192 F193 F223Y161-K189 HydrophobicContact CE2-CD 4.34Å; Y161-K189 PolarHBondContact OH-NZ 2.92Å; W165-K189 HydrophobicContact CH2-CD 4.15Å; W165-K189 VanDerWaalsContact CH2-CE 3.44Å; W165-K189 HydrophobicContact CH2-CG 4Å; W165-K189 HydrophobicContact CZ2-CB 4.49Å; W165-K189 HydrophobicContact CZ2-CD 3.67Å; W165-K189 VanDerWaalsContact CZ2-CE 3.41Å; W165-K189 HydrophobicContact CZ2-CG 3.62Å; Y171-K189 PolarHBondContact OH-NZ 2.77Å; Y185-K189 HydrophobicContact CE1-CB 4.44Å; Y185-K189 HydrophobicContact CE1-CD 3.95Å; Y185-K189 VanDerWaalsContact O-CB 3.28Å; Y185-K189 WeakPolarHBondContact O-CB 3.49Å; Y185-K189 PolarHBondContact O-N 2.99Å; M186-K189 PolarHBondContact O-N 2.97Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K187-K189 PolarHBondContact O-N 3.16Å; K189-L192 PolarHBondContact O-N 2.87Å; K189-F193 HydrophobicContact CG-CD2 3.98Å; K189-F193 HydrophobicContact CG-CE2 4.41Å; K189-F193 WeakPolarHBondContact O-CD2 3.46Å; K189-F193 PolarHBondContact O-N 3.23Å; K189-F193 VanDerWaalsContact O-N 3.1Å; K189-F223 VanDerWaalsContact NZ-CZ 3.32Å
190D97.2Very high97.2Very high52 Ų5238.1 Ų38.128%0.27820%0.195SC..Hα-helixtrans-61-46.1176.8-16957.2000110.7M186 K187 L192 F193 R194 G195M186-D190 WeakPolarHBondContact O-CB 3.44Å; M186-D190 PolarHBondContact O-N 3.37Å; K187-D190 PolarHBondContact O-N 2.76Å; D190-L192 PolarHBondContact O-N 3.36Å; D190-F193 PolarHBondContact O-N 2.97Å; D190-R194 CarbonylContact O-C 3.47Å; D190-R194 WeakPolarHBondContact O-CA 3.41Å; D190-R194 WeakPolarHBondContact O-CB 3.17Å; D190-R194 PolarHBondContact O-N 2.95Å; D190-R194 WeakPolarHBondContact OD1-CD 3.4Å; D190-G195 PolarHBondContact O-N 3.25Å; D190-G195 VanDerWaalsContact O-N 3.08Å
191H97.8Very high97.2Very high25 Ų2538.5 Ų38.512%0.11619%0.193CC..Hα-helixtrans-58.4-49.9176.6-168.160.4000112.8K187 L188 F193 G195 L197 T494 L499K187-H191 WeakPolarHBondContact O-CB 3.37Å; K187-H191 PolarHBondContact O-N 3.3Å; L188-H191 PolarHBondContact O-N 2.82Å; H191-F193 PolarHBondContact O-N 3.07Å; H191-G195 VanDerWaalsContact O-CA 3.24Å; H191-G195 WeakPolarHBondContact O-CA 3.47Å; H191-G195 PolarHBondContact O-N 3.16Å; H191-L197 VanDerWaalsContact O-CD1 3.3Å; H191-L197 WeakPolarHBondContact O-CD1 3.38Å; H191-T494 PolarHBondContact CE1-O 2.8Å; H191-T494 PolarHBondContact NE2-O 2.77Å; H191-L499 HydrophobicContact CB-CD1 3.49Å; H191-L499 VanDerWaalsContact CB-CD1 3.49Å; H191-L499 VanDerWaalsContact CD2-CD1 3.43Å; H191-L499 WeakPolarHBondContact CD2-CD1 3.07Å; H191-L499 VanDerWaalsContact CG-CD1 3.43Å
192L98Very high97.1Very high1 Ų139.6 Ų39.61%0.00520%0.2CC..Hα-helixtrans-59-46.2-179.7-75.6175000112.2L188 K189 D190 R204 H293 A296 I297 H300 L496L188-L192 HydrophobicContact CD1-CD1 4.25Å; L188-L192 HydrophobicContact CD1-CG 4.18Å; L188-L192 HydrophobicContact CD2-CD1 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.89Å; L188-L192 HydrophobicContact CG-CG 4.22Å; L188-L192 WeakPolarHBondContact O-CB 3.2Å; L188-L192 VanDerWaalsContact O-CG 3.32Å; L188-L192 WeakPolarHBondContact O-CG 3.34Å; L188-L192 PolarHBondContact O-N 3.05Å; K189-L192 PolarHBondContact O-N 2.87Å; D190-L192 PolarHBondContact O-N 3.36Å; L192-R204 WeakPolarHBondContact O-CD 3.14Å; L192-R204 PolarHBondContact O-NH1 3.19Å; L192-H293 PolarHBondContact O-NE2 3.32Å; L192-A296 HydrophobicContact CD2-CB 3.51Å; L192-I297 HydrophobicContact CD2-CG1 4.41Å; L192-H300 HydrophobicContact CD1-CB 3.97Å; L192-L496 HydrophobicContact CD2-CD1 3.61Å; L192-L496 HydrophobicContact CG-CD1 4.41Å
193F98Very high97.1Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-101.9-21.3-167.7-73.7-75.7000114.6W165 K189 D190 H191 Y201 R204 Y205 A208 F224 I297W165-F193 HydrophobicContact CH2-CB 3.72Å; W165-F193 HydrophobicContact CH2-CD2 4.33Å; W165-F193 HydrophobicContact CH2-CG 4.25Å; W165-F193 HydrophobicContact CZ3-CB 4.49Å; K189-F193 HydrophobicContact CG-CD2 3.98Å; K189-F193 HydrophobicContact CG-CE2 4.41Å; K189-F193 WeakPolarHBondContact O-CD2 3.46Å; K189-F193 PolarHBondContact O-N 3.23Å; K189-F193 VanDerWaalsContact O-N 3.1Å; D190-F193 PolarHBondContact O-N 2.97Å; H191-F193 PolarHBondContact O-N 3.07Å; F193-Y201 VanDerWaalsContact O-CD1 3.28Å; F193-Y201 WeakPolarHBondContact O-CD1 3.41Å; F193-R204 HydrophobicContact CD1-CB 4Å; F193-R204 HydrophobicContact CE1-CB 4.36Å; F193-Y205 HydrophobicContact CB-CE1 3.93Å; F193-Y205 AromaticContact CD1-CD1 3.54Å; F193-Y205 HydrophobicContact CD1-CD1 3.54Å; F193-Y205 AromaticContact CD1-CE1 3.33Å; F193-Y205 HydrophobicContact CD1-CE1 3.33Å; F193-Y205 HydrophobicContact CD1-CG 4.45Å; F193-Y205 AromaticContact CE1-CD1 3.85Å; F193-Y205 HydrophobicContact CE1-CD1 3.85Å; F193-Y205 HydrophobicContact CE1-CE1 4.07Å; F193-Y205 HydrophobicContact CG-CD1 4.45Å; F193-Y205 AromaticContact CG-CE1 3.84Å; F193-Y205 HydrophobicContact CG-CE1 3.84Å; F193-A208 HydrophobicContact CE1-CB 3.9Å; F193-A208 HydrophobicContact CZ-CB 3.97Å; F193-F224 HydrophobicContact CE1-CD1 4.42Å; F193-F224 AromaticContact CE1-CE1 3.98Å; F193-F224 HydrophobicContact CE1-CE1 3.98Å; F193-F224 HydrophobicContact CE2-CE1 4.16Å; F193-F224 HydrophobicContact CZ-CD1 4.44Å; F193-F224 AromaticContact CZ-CE1 3.6Å; F193-F224 HydrophobicContact CZ-CE1 3.6Å; F193-F224 HydrophobicContact CZ-CZ 4.05Å; F193-I297 HydrophobicContact CE1-CG2 4.27Å; F193-I297 HydrophobicContact CZ-CG2 4.07Å
194R95.4Very high97.1Very high114 Ų11437 Ų3743%0.4319%0.188SC..Hα-helixtrans-126.6-13-177.1-62.5-176.267.7172.39.4113.8Q164 D190 Y201Q164-R194 PolarHBondContact O-NH1 3.4Å; D190-R194 CarbonylContact O-C 3.47Å; D190-R194 WeakPolarHBondContact O-CA 3.41Å; D190-R194 WeakPolarHBondContact O-CB 3.17Å; D190-R194 PolarHBondContact O-N 2.95Å; D190-R194 WeakPolarHBondContact OD1-CD 3.4Å; R194-Y201 PolarHBondContact O-OH 2.89Å
195G95Very high97.1Very high14 Ų1437.4 Ų37.414%0.14419%0.189CC..SBendtrans-66.5159.1175.300000113.1D190 H191 L197 R204D190-G195 PolarHBondContact O-N 3.25Å; D190-G195 VanDerWaalsContact O-N 3.08Å; H191-G195 VanDerWaalsContact O-CA 3.24Å; H191-G195 WeakPolarHBondContact O-CA 3.47Å; H191-G195 PolarHBondContact O-N 3.16Å; G195-L197 VanDerWaalsContact C-N 3.34Å; G195-L197 PolarHBondContact O-N 3.2Å; G195-R204 VanDerWaalsContact O-CZ 3.24Å; G195-R204 PolarHBondContact O-NH1 3.48Å; G195-R204 PolarHBondContact O-NH2 3.35Å
196D95.1Very high97.1Very high161 Ų16137.2 Ų37.286%0.86119%0.188SC*.SBendtrans-77.684.6176.3-168.918.8000110.3
197L95.7Very high97.1Very high14 Ų1436.8 Ų36.87%0.07319%0.186CC..  trans-126.3163.9-173.4-67.8-174.3000110.2H191 G195 L199 R204 H293 C493H191-L197 VanDerWaalsContact O-CD1 3.3Å; H191-L197 WeakPolarHBondContact O-CD1 3.38Å; G195-L197 VanDerWaalsContact C-N 3.34Å; G195-L197 PolarHBondContact O-N 3.2Å; L197-L199 PolarHBondContact O-N 3.11Å; L197-R204 PolarHBondContact O-NH2 3.07Å; L197-H293 WeakPolarHBondContact CB-CE1 3.47Å; L197-H293 WeakPolarHBondContact CB-ND1 3.21Å; L197-C493 VanDerWaalsContact CD2-SG 3.58Å
198P94.3Very high97.1Very high57 Ų5733 Ų3337%0.3717%0.17SC..SBendtrans-58.8-21.1-166.6-27.734.6000116.9E290P198-E290 HydrophobicContact CB-CG 3.81Å
199L96.5Very high97.1Very high3 Ų333 Ų332%0.01617%0.17CC..SBendtrans-94.1138.8-174.9-61.4176.2000110.8L197 R204 I207 W248 E290 H293 V294 I297L197-L199 PolarHBondContact O-N 3.11Å; L199-R204 HydrophobicContact CB-CG 3.79Å; L199-R204 HydrophobicContact CD1-CG 4.41Å; L199-R204 VanDerWaalsContact O-CZ 3.29Å; L199-R204 PolarHBondContact O-NE 2.69Å; L199-R204 PolarHBondContact O-NH2 3.35Å; L199-I207 HydrophobicContact CD1-CD1 3.75Å; L199-W248 HydrophobicContact CD2-CH2 3.41Å; L199-W248 VanDerWaalsContact CD2-CH2 3.41Å; L199-W248 HydrophobicContact CD2-CZ2 4.06Å; L199-W248 HydrophobicContact CD2-CZ3 4.15Å; L199-E290 HydrophobicContact CD2-CB 4.09Å; L199-E290 HydrophobicContact CD2-CG 4.04Å; L199-H293 WeakPolarHBondContact CB-ND1 3.44Å; L199-H293 HydrophobicContact CD1-CB 4.05Å; L199-H293 HydrophobicContact CG-CB 4.2Å; L199-H293 VanDerWaalsContact CG-ND1 3.3Å; L199-H293 WeakPolarHBondContact CG-ND1 3.35Å; L199-H293 PolarHBondContact N-ND1 3.25Å; L199-V294 HydrophobicContact CD1-CG2 3.9Å; L199-V294 HydrophobicContact CD2-CG2 4.4Å; L199-I297 HydrophobicContact CD1-CD1 4.11Å
200P96.4Very high97Very high70 Ų7033.5 Ų33.546%0.45517%0.172SC..  trans-61.4151.2169.2-17.129.1000111.8D203 R204P200-D203 WeakPolarHBondContact CB-OD2 3.28Å; P200-D203 PolarHBondContact O-N 2.76Å; P200-R204 WeakPolarHBondContact O-CG 3.49Å; P200-R204 PolarHBondContact O-N 3.07Å
201Y96.8Very high97.1Very high111 Ų11131 Ų3144%0.43516%0.159SC..Hα-helixtrans-56.3-47.6-174.2-63.2-59.7000114.6F193 R194 D203 R204 Y205F193-Y201 VanDerWaalsContact O-CD1 3.28Å; F193-Y201 WeakPolarHBondContact O-CD1 3.41Å; R194-Y201 PolarHBondContact O-OH 2.89Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 2.94Å; Y201-R204 WeakPolarHBondContact O-CB 3.43Å; Y201-R204 PolarHBondContact O-N 3.14Å; Y201-Y205 WeakPolarHBondContact O-CD2 3.21Å
202P97.3Very high97.1Very high23 Ų2329.9 Ų29.915%0.14915%0.153CC..Hα-helixtrans-62.2-39.7-179.8-22.634.9000113R204 Y205 Y206 F228 S231P202-R204 VanDerWaalsContact C-N 3.28Å; P202-R204 PolarHBondContact O-N 3.49Å; P202-Y205 PolarHBondContact O-N 2.99Å; P202-Y206 PolarHBondContact O-N 2.96Å; P202-F228 HydrophobicContact CB-CD2 4.26Å; P202-F228 HydrophobicContact CB-CE2 4.05Å; P202-F228 VanDerWaalsContact O-CD2 3.24Å; P202-F228 WeakPolarHBondContact O-CD2 3.41Å; P202-S231 WeakPolarHBondContact CA-OG 3.4Å
203D97.6Very high97Very high23 Ų2329.8 Ų29.812%0.12315%0.153CC..Hα-helixtrans-60-39.8-179.4-60.9-114.5000111.5P200 Y201 Y205 Y206 I207 W248P200-D203 WeakPolarHBondContact CB-OD2 3.28Å; P200-D203 PolarHBondContact O-N 2.76Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 2.94Å; D203-Y205 VanDerWaalsContact C-N 3.34Å; D203-Y205 PolarHBondContact O-N 3.13Å; D203-Y206 PolarHBondContact O-N 2.86Å; D203-I207 WeakPolarHBondContact O-CD1 3.38Å; D203-I207 VanDerWaalsContact O-CG1 3.3Å; D203-I207 WeakPolarHBondContact O-CG1 3.49Å; D203-I207 PolarHBondContact O-N 2.7Å; D203-W248 HydrophobicContact CB-CZ2 4.06Å; D203-W248 PolarHBondContact OD1-NE1 3.34Å
204R98.1Very high96.9Very high5 Ų530.2 Ų30.22%0.01916%0.155CC..Hα-helixtrans-56.6-47176.1-60.1171.2-165.3-155.312.6111.7L192 F193 G195 L197 L199 P200 Y201 P202 I207 A208 H293 I297L192-R204 WeakPolarHBondContact O-CD 3.14Å; L192-R204 PolarHBondContact O-NH1 3.19Å; F193-R204 HydrophobicContact CD1-CB 4Å; F193-R204 HydrophobicContact CE1-CB 4.36Å; G195-R204 VanDerWaalsContact O-CZ 3.24Å; G195-R204 PolarHBondContact O-NH1 3.48Å; G195-R204 PolarHBondContact O-NH2 3.35Å; L197-R204 PolarHBondContact O-NH2 3.07Å; L199-R204 HydrophobicContact CB-CG 3.79Å; L199-R204 HydrophobicContact CD1-CG 4.41Å; L199-R204 VanDerWaalsContact O-CZ 3.29Å; L199-R204 PolarHBondContact O-NE 2.69Å; L199-R204 PolarHBondContact O-NH2 3.35Å; P200-R204 WeakPolarHBondContact O-CG 3.49Å; P200-R204 PolarHBondContact O-N 3.07Å; Y201-R204 WeakPolarHBondContact O-CB 3.43Å; Y201-R204 PolarHBondContact O-N 3.14Å; P202-R204 VanDerWaalsContact C-N 3.28Å; P202-R204 PolarHBondContact O-N 3.49Å; R204-I207 PolarHBondContact O-N 2.99Å; R204-A208 PolarHBondContact O-N 2.8Å; R204-H293 PolarHBondContact NE-CE1 2.77Å; R204-I297 HydrophobicContact CB-CD1 3.78Å; R204-I297 HydrophobicContact CG-CD1 3.99Å
205Y98.3Very high96.9Very high16 Ų1625.2 Ų25.26%0.06314%0.136CC..Hα-helixtrans-70.9-34.9179.1-59.8-62.2000112W165 F193 Y201 P202 D203 A208 I209 F224 Q227W165-Y205 HydrophobicContact CZ3-CE1 4.26Å; F193-Y205 HydrophobicContact CB-CE1 3.93Å; F193-Y205 AromaticContact CD1-CD1 3.54Å; F193-Y205 HydrophobicContact CD1-CD1 3.54Å; F193-Y205 AromaticContact CD1-CE1 3.33Å; F193-Y205 HydrophobicContact CD1-CE1 3.33Å; F193-Y205 HydrophobicContact CD1-CG 4.45Å; F193-Y205 AromaticContact CE1-CD1 3.85Å; F193-Y205 HydrophobicContact CE1-CD1 3.85Å; F193-Y205 HydrophobicContact CE1-CE1 4.07Å; F193-Y205 HydrophobicContact CG-CD1 4.45Å; F193-Y205 AromaticContact CG-CE1 3.84Å; F193-Y205 HydrophobicContact CG-CE1 3.84Å; Y201-Y205 WeakPolarHBondContact O-CD2 3.21Å; P202-Y205 PolarHBondContact O-N 2.99Å; D203-Y205 VanDerWaalsContact C-N 3.34Å; D203-Y205 PolarHBondContact O-N 3.13Å; Y205-A208 WeakPolarHBondContact O-CB 3.42Å; Y205-A208 PolarHBondContact O-N 2.99Å; Y205-I209 VanDerWaalsContact O-CG1 3.31Å; Y205-I209 WeakPolarHBondContact O-CG1 3.24Å; Y205-I209 PolarHBondContact O-N 3.24Å; Y205-F224 HydrophobicContact CD1-CD1 4.11Å; Y205-Q227 HydrophobicContact CD1-CB 3.44Å; Y205-Q227 VanDerWaalsContact CD1-CB 3.44Å; Y205-Q227 HydrophobicContact CD1-CG 4.29Å; Y205-Q227 HydrophobicContact CD2-CB 4.21Å; Y205-Q227 HydrophobicContact CE1-CB 3.56Å; Y205-Q227 HydrophobicContact CE1-CG 4.14Å; Y205-Q227 HydrophobicContact CE2-CB 4.33Å; Y205-Q227 HydrophobicContact CG-CB 3.78Å
206Y98.2Very high96.8Very high1 Ų125.1 Ų25.10%0.00413%0.132CC..Hα-helixtrans-63.9-43.1174.7-168.7-110.1000112.3P202 D203 A208 I209 I210 F228 W237 G240 V241 F458P202-Y206 PolarHBondContact O-N 2.96Å; D203-Y206 PolarHBondContact O-N 2.86Å; Y206-A208 VanDerWaalsContact C-N 3.29Å; Y206-A208 PolarHBondContact O-N 3.05Å; Y206-I209 HydrophobicContact CD2-CD1 4.47Å; Y206-I209 WeakPolarHBondContact O-CB 3.1Å; Y206-I209 PolarHBondContact O-N 2.69Å; Y206-I210 HydrophobicContact CD1-CD1 3.87Å; Y206-I210 HydrophobicContact CE1-CD1 3.61Å; Y206-I210 HydrophobicContact CE1-CG1 4.4Å; Y206-I210 WeakPolarHBondContact O-CG1 3.19Å; Y206-I210 PolarHBondContact O-N 3.23Å; Y206-I210 VanDerWaalsContact O-N 3.15Å; Y206-F228 HydrophobicContact CD2-CD2 4.46Å; Y206-F228 HydrophobicContact CD2-CE2 4.15Å; Y206-F228 HydrophobicContact CD2-CZ 4.43Å; Y206-F228 HydrophobicContact CG-CE2 4.33Å; Y206-W237 AromaticContact CD1-CE3 3.92Å; Y206-W237 HydrophobicContact CD1-CE3 3.92Å; Y206-W237 HydrophobicContact CD1-CZ3 4.34Å; Y206-W237 HydrophobicContact CD2-CB 4.04Å; Y206-W237 AromaticContact CD2-CE3 3.99Å; Y206-W237 HydrophobicContact CD2-CE3 3.99Å; Y206-W237 HydrophobicContact CE1-CE3 4.31Å; Y206-W237 HydrophobicContact CE2-CB 3.59Å; Y206-W237 HydrophobicContact CE2-CE3 4.41Å; Y206-W237 WeakPolarHBondContact CE2-O 3.24Å; Y206-W237 AromaticContact CG-CE3 3.73Å; Y206-W237 HydrophobicContact CG-CE3 3.73Å; Y206-W237 HydrophobicContact CG-CZ3 4.29Å; Y206-W237 PolarHBondContact OH-O 3.32Å; Y206-G240 PolarHBondContact OH-O 3.19Å; Y206-G240 VanDerWaalsContact OH-O 3.11Å; Y206-V241 WeakPolarHBondContact OH-CA 3.19Å; Y206-F458 HydrophobicContact CE2-CE1 4.03Å
207I98.1Very high96.8Very high3 Ų317.5 Ų17.52%0.0159%0.091CC..Hα-helixtrans-60.1-42.6173.5-68.5157000110.4L199 D203 R204 I209 I210 A211 W248 V294 I297 L298L199-I207 HydrophobicContact CD1-CD1 3.75Å; D203-I207 WeakPolarHBondContact O-CD1 3.38Å; D203-I207 VanDerWaalsContact O-CG1 3.3Å; D203-I207 WeakPolarHBondContact O-CG1 3.49Å; D203-I207 PolarHBondContact O-N 2.7Å; R204-I207 PolarHBondContact O-N 2.99Å; I207-I209 VanDerWaalsContact C-N 3.32Å; I207-I209 PolarHBondContact O-N 3.17Å; I207-I210 PolarHBondContact O-N 3.39Å; I207-A211 PolarHBondContact O-N 2.83Å; I207-W248 HydrophobicContact CD1-CD2 4.38Å; I207-W248 HydrophobicContact CD1-CE3 4.34Å; I207-V294 HydrophobicContact CD1-CG2 3.86Å; I207-V294 HydrophobicContact CG2-CG1 4.35Å; I207-I297 HydrophobicContact CB-CG2 4.39Å; I207-I297 HydrophobicContact CG2-CB 4.28Å; I207-I297 HydrophobicContact CG2-CG2 3.86Å; I207-L298 HydrophobicContact CG2-CD2 3.61Å; I207-L298 HydrophobicContact CG2-CG 4.2Å
208A98.6Very high96.6Very high0 Ų017.1 Ų17.10%09%0.089CC..Hα-helixtrans-62.9-35.6176.600000113F193 R204 Y205 Y206 A211 A212 F224 I297 V301F193-A208 HydrophobicContact CE1-CB 3.9Å; F193-A208 HydrophobicContact CZ-CB 3.97Å; R204-A208 PolarHBondContact O-N 2.8Å; Y205-A208 WeakPolarHBondContact O-CB 3.42Å; Y205-A208 PolarHBondContact O-N 2.99Å; Y206-A208 VanDerWaalsContact C-N 3.29Å; Y206-A208 PolarHBondContact O-N 3.05Å; A208-A211 PolarHBondContact O-N 3.28Å; A208-A212 VanDerWaalsContact O-CB 3.32Å; A208-A212 WeakPolarHBondContact O-CB 3.22Å; A208-A212 PolarHBondContact O-N 3.35Å; A208-F224 HydrophobicContact CB-CB 4.16Å; A208-F224 HydrophobicContact CB-CD1 3.62Å; A208-F224 HydrophobicContact CB-CD2 3.66Å; A208-F224 HydrophobicContact CB-CE1 3.8Å; A208-F224 HydrophobicContact CB-CE2 3.88Å; A208-F224 HydrophobicContact CB-CG 3.55Å; A208-F224 HydrophobicContact CB-CZ 3.94Å; A208-I297 HydrophobicContact CB-CG2 3.92Å; A208-V301 HydrophobicContact CB-CG2 3.84Å
209I98Very high96.6Very high0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-61.5-46.4172.9-67.9164.6000110.7Y205 Y206 I207 A212 A213 V221 F224 V225 F228 L238 F458Y205-I209 VanDerWaalsContact O-CG1 3.31Å; Y205-I209 WeakPolarHBondContact O-CG1 3.24Å; Y205-I209 PolarHBondContact O-N 3.24Å; Y206-I209 HydrophobicContact CD2-CD1 4.47Å; Y206-I209 WeakPolarHBondContact O-CB 3.1Å; Y206-I209 PolarHBondContact O-N 2.69Å; I207-I209 VanDerWaalsContact C-N 3.32Å; I207-I209 PolarHBondContact O-N 3.17Å; I209-A212 PolarHBondContact O-N 2.74Å; I209-A213 WeakPolarHBondContact O-CB 3.22Å; I209-A213 PolarHBondContact O-N 2.74Å; I209-V221 HydrophobicContact CG2-CG1 4.31Å; I209-F224 HydrophobicContact CG1-CB 3.59Å; I209-V225 HydrophobicContact CD1-CB 4.38Å; I209-V225 HydrophobicContact CD1-CG2 3.75Å; I209-V225 HydrophobicContact CG1-CG2 4.14Å; I209-F228 HydrophobicContact CD1-CB 4.02Å; I209-F228 HydrophobicContact CD1-CG 4.39Å; I209-L238 HydrophobicContact CD1-CD2 3.85Å; I209-F458 HydrophobicContact CG2-CB 4.47Å; I209-F458 HydrophobicContact CG2-CD1 3.98Å; I209-F458 HydrophobicContact CG2-CD2 3.37Å; I209-F458 HydrophobicContact CG2-CE1 4.01Å; I209-F458 HydrophobicContact CG2-CE2 3.37Å; I209-F458 HydrophobicContact CG2-CG 3.68Å; I209-F458 HydrophobicContact CG2-CZ 3.72Å
210I97.4Very high96.5Very high11 Ų1114.6 Ų14.66%0.0567%0.072CC..Hα-helixtrans-64.7-41.4179.9-61.6169.1000110.7Y206 I207 A213 Q214 N255Y206-I210 HydrophobicContact CD1-CD1 3.87Å; Y206-I210 HydrophobicContact CE1-CD1 3.61Å; Y206-I210 HydrophobicContact CE1-CG1 4.4Å; Y206-I210 WeakPolarHBondContact O-CG1 3.19Å; Y206-I210 PolarHBondContact O-N 3.23Å; Y206-I210 VanDerWaalsContact O-N 3.15Å; I207-I210 PolarHBondContact O-N 3.39Å; I210-A213 PolarHBondContact O-N 3.43Å; I210-Q214 PolarHBondContact O-N 3.18Å; I210-N255 PolarHBondContact O-ND2 2.95Å
211A98.1Very high96.5Very high0 Ų011.2 Ų11.20%05%0.05CC..Hα-helixtrans-62.7-44.6174.600000112.3I207 A208 A213 Q214 Q215 L298 V301I207-A211 PolarHBondContact O-N 2.83Å; A208-A211 PolarHBondContact O-N 3.28Å; A211-A213 VanDerWaalsContact C-N 3.3Å; A211-A213 PolarHBondContact O-N 3.39Å; A211-Q214 WeakPolarHBondContact O-CB 3.43Å; A211-Q214 PolarHBondContact O-N 2.76Å; A211-Q215 PolarHBondContact O-N 2.91Å; A211-L298 HydrophobicContact CB-CD2 3.71Å; A211-V301 HydrophobicContact CB-CB 3.71Å; A211-V301 HydrophobicContact CB-CG1 3.67Å; A211-V301 HydrophobicContact CB-CG2 4.39Å
212A97.5Very high96.4Very high0 Ų06 Ų60%03%0.03CC..Hα-helixtrans-63.2-38.2177.400000111.9A208 I209 Q215 R216 C217 L220 V221 F224 V301A208-A212 VanDerWaalsContact O-CB 3.32Å; A208-A212 WeakPolarHBondContact O-CB 3.22Å; A208-A212 PolarHBondContact O-N 3.35Å; I209-A212 PolarHBondContact O-N 2.74Å; A212-Q215 CarbonylContact O-C 3.56Å; A212-Q215 PolarHBondContact O-N 3.24Å; A212-R216 PolarHBondContact O-N 2.61Å; A212-C217 PolarHBondContact O-N 3.46Å; A212-L220 HydrophobicContact CB-CB 3.58Å; A212-V221 HydrophobicContact CB-CG2 3.73Å; A212-F224 HydrophobicContact CB-CD2 4.49Å; A212-V301 HydrophobicContact CB-CG1 3.87Å
213A96.1Very high96.2Very high0 Ų05.3 Ų5.30%02%0.024CC..Hα-helixtrans-67.5-37.5176.400000112.7I209 I210 A211 Q215 R216 V221 F458I209-A213 WeakPolarHBondContact O-CB 3.22Å; I209-A213 PolarHBondContact O-N 2.74Å; I210-A213 PolarHBondContact O-N 3.43Å; A211-A213 VanDerWaalsContact C-N 3.3Å; A211-A213 PolarHBondContact O-N 3.39Å; A213-Q215 PolarHBondContact O-N 2.73Å; A213-R216 WeakPolarHBondContact O-CA 3.19Å; A213-R216 PolarHBondContact O-N 3.37Å; A213-V221 HydrophobicContact CB-CG2 4.17Å; A213-F458 HydrophobicContact CB-CB 3.45Å; A213-F458 VanDerWaalsContact CB-CB 3.45Å
214Q96.2Very high96.2Very high8 Ų84.2 Ų4.24%0.0372%0.018CC..Hα-helixtrans-57.7-36.9172.1179.160.829.100111.8I210 A211 R216 N255 D260 S464I210-Q214 PolarHBondContact O-N 3.18Å; A211-Q214 WeakPolarHBondContact O-CB 3.43Å; A211-Q214 PolarHBondContact O-N 2.76Å; Q214-R216 VanDerWaalsContact C-N 3.28Å; Q214-R216 PolarHBondContact O-N 2.78Å; Q214-R216 PolarHBondContact O-NH1 2.84Å; Q214-N255 WeakPolarHBondContact CB-ND2 3.28Å; Q214-D260 PolarHBondContact NE2-OD1 3.48Å; Q214-D260 PolarHBondContact NE2-OD2 3.44Å; Q214-S464 PolarHBondContact NE2-OG 2.88Å; Q214-S464 VanDerWaalsContact NE2-OG 3.1Å; Q214-S464 PolarHBondContact OE1-OG 3.02Å
215Q95.3Very high96.1Very high9 Ų94 Ų44%0.0422%0.018CC..THydrogen-bonded Turntrans-821.3173-57.8-58.4-37.800114.4A211 A212 A213 C217 S259 H302 A305A211-Q215 PolarHBondContact O-N 2.91Å; A212-Q215 CarbonylContact O-C 3.56Å; A212-Q215 PolarHBondContact O-N 3.24Å; A213-Q215 PolarHBondContact O-N 2.73Å; Q215-C217 HydrophobicContact CB-CB 4.27Å; Q215-C217 PolarHBondContact O-N 3.44Å; Q215-C217 VanDerWaalsContact O-N 3.16Å; Q215-S259 PolarHBondContact NE2-OG 3.24Å; Q215-H302 HydrophobicContact CG-CB 4.43Å; Q215-H302 PolarHBondContact NE2-CD2 2.86Å; Q215-H302 VanDerWaalsContact NE2-CG 3.33Å; Q215-A305 HydrophobicContact CB-CB 3.53Å; Q215-A305 HydrophobicContact CG-CB 3.63Å
216R93.9Very high95.9Very high13 Ų134.2 Ų4.25%0.0492%0.019CC..THydrogen-bonded Turntrans55.228.9-173.9-61.2162.1-179.478.3-5.1112.9A212 A213 Q214 I218 L449 S450 I455 P462 S464 V570A212-R216 PolarHBondContact O-N 2.61Å; A213-R216 WeakPolarHBondContact O-CA 3.19Å; A213-R216 PolarHBondContact O-N 3.37Å; Q214-R216 VanDerWaalsContact C-N 3.28Å; Q214-R216 PolarHBondContact O-N 2.78Å; Q214-R216 PolarHBondContact O-NH1 2.84Å; R216-I218 PolarHBondContact O-N 2.88Å; R216-L449 HydrophobicContact CB-CB 4.31Å; R216-S450 PolarHBondContact NE-OG 3.08Å; R216-S450 PolarHBondContact NH2-OG 3.05Å; R216-S450 VanDerWaalsContact NH2-OG 3.16Å; R216-I455 HydrophobicContact CG-CG2 4.18Å; R216-P462 PolarHBondContact NH2-O 3.02Å; R216-S464 PolarHBondContact NH1-O 3.5Å; R216-S464 PolarHBondContact NH2-O 3.09Å; R216-V570 HydrophobicContact CB-CG2 4.31Å
217C94.3Very high95.8Very high1 Ų15.1 Ų5.11%0.0072%0.023CC..  trans-91.985.7-175.1-167.70000111A212 Q215 Y219 L220 V221 A305 F309A212-C217 PolarHBondContact O-N 3.46Å; Q215-C217 HydrophobicContact CB-CB 4.27Å; Q215-C217 PolarHBondContact O-N 3.44Å; Q215-C217 VanDerWaalsContact O-N 3.16Å; C217-Y219 PolarHBondContact O-N 3.15Å; C217-L220 HydrophobicContact CB-CB 4.25Å; C217-L220 HydrophobicContact CB-CD1 4.34Å; C217-L220 HydrophobicContact CB-CG 4.45Å; C217-L220 PolarHBondContact O-N 3.49Å; C217-L220 VanDerWaalsContact O-N 3.14Å; C217-L220 VanDerWaalsContact SG-CG 3.6Å; C217-V221 WeakPolarHBondContact O-CG2 3.35Å; C217-V221 PolarHBondContact O-N 2.96Å; C217-A305 HydrophobicContact CB-CB 4.07Å; C217-F309 HydrophobicContact CB-CE2 3.74Å; C217-F309 HydrophobicContact CB-CZ 4.14Å
218I92.1Very high95.8Very high6 Ų65 Ų53%0.0312%0.022CC..Hα-helixtrans-55.5-38.4179.8-64.7172.5000111.7C5 R216 L220 V221 L222 L449 L454 I455C5-I218 HydrophobicContact CB-CD1 4.39Å; C5-I218 HydrophobicContact CB-CG2 3.97Å; R216-I218 PolarHBondContact O-N 2.88Å; I218-L220 PolarHBondContact O-N 2.89Å; I218-V221 PolarHBondContact O-N 3.23Å; I218-L222 HydrophobicContact CG2-CD1 3.92Å; I218-L222 HydrophobicContact CG2-CG 4.22Å; I218-L222 WeakPolarHBondContact O-CG 3.43Å; I218-L222 PolarHBondContact O-N 3.18Å; I218-L449 HydrophobicContact CD1-CD2 3.79Å; I218-L454 HydrophobicContact CG2-CD1 3.84Å; I218-I455 HydrophobicContact CG1-CD1 3.76Å; I218-I455 HydrophobicContact CG1-CG1 3.88Å
219Y93.2Very high95.7Very high6 Ų65 Ų52%0.0242%0.022CC..Hα-helixtrans-56-49.3177.7177.1-83.3000112.1M1 Y171 C217 L222 F223 I308 I313 R314 E316M1-Y219 VanDerWaalsContact CE-CB 3.44Å; M1-Y219 HydrophobicContact CE-CD2 4.18Å; M1-Y219 HydrophobicContact CE-CG 4.03Å; Y171-Y219 AromaticContact CD1-CE1 3.82Å; Y171-Y219 HydrophobicContact CD1-CE1 3.82Å; Y171-Y219 WeakPolarHBondContact CD1-OH 3.27Å; Y171-Y219 HydrophobicContact CE1-CE1 4.48Å; C217-Y219 PolarHBondContact O-N 3.15Å; Y219-L222 PolarHBondContact O-N 3.45Å; Y219-F223 WeakPolarHBondContact O-CB 3.48Å; Y219-F223 PolarHBondContact O-N 3.37Å; Y219-I308 HydrophobicContact CD1-CD1 3.81Å; Y219-I308 HydrophobicContact CD1-CG1 4.06Å; Y219-I308 HydrophobicContact CD1-CG2 4.17Å; Y219-I308 HydrophobicContact CE1-CD1 3.64Å; Y219-I308 HydrophobicContact CE1-CG1 4.38Å; Y219-I308 HydrophobicContact CG-CG2 4.24Å; Y219-I313 HydrophobicContact CD2-CG2 4.44Å; Y219-I313 HydrophobicContact CE2-CG2 3.91Å; Y219-R314 WeakPolarHBondContact CE2-O 3.44Å; Y219-E316 HydrophobicContact CE2-CG 3.85Å; Y219-E316 WeakPolarHBondContact CE2-OE1 3.28Å; Y219-E316 PolarHBondContact OH-OE1 3.07Å
220L96Very high95.5Very high0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-72.3-34.7178.8-68.7178.8000112A212 C217 I218 L222 F223 F224 V301 L304 A305 I308A212-L220 HydrophobicContact CB-CB 3.58Å; C217-L220 HydrophobicContact CB-CB 4.25Å; C217-L220 HydrophobicContact CB-CD1 4.34Å; C217-L220 HydrophobicContact CB-CG 4.45Å; C217-L220 PolarHBondContact O-N 3.49Å; C217-L220 VanDerWaalsContact O-N 3.14Å; C217-L220 VanDerWaalsContact SG-CG 3.6Å; I218-L220 PolarHBondContact O-N 2.89Å; L220-L222 PolarHBondContact O-N 3.16Å; L220-F223 PolarHBondContact O-N 3.19Å; L220-F224 HydrophobicContact CB-CD2 4.23Å; L220-F224 HydrophobicContact CB-CE2 4.15Å; L220-F224 HydrophobicContact CD2-CE2 4.28Å; L220-F224 WeakPolarHBondContact O-CD2 3.44Å; L220-F224 PolarHBondContact O-N 3.38Å; L220-V301 HydrophobicContact CD1-CG1 4.27Å; L220-L304 HydrophobicContact CD1-CB 4.17Å; L220-L304 HydrophobicContact CD1-CD2 4.14Å; L220-L304 HydrophobicContact CD1-CG 3.94Å; L220-L304 HydrophobicContact CD2-CD2 3.52Å; L220-L304 HydrophobicContact CD2-CG 3.93Å; L220-L304 HydrophobicContact CG-CD2 4.5Å; L220-A305 HydrophobicContact CD1-CB 3.95Å; L220-I308 HydrophobicContact CD1-CG1 4.12Å; L220-I308 HydrophobicContact CD2-CD1 4.41Å; L220-I308 HydrophobicContact CD2-CG1 4.07Å; L220-I308 HydrophobicContact CG-CG1 4Å
221V95.4Very high95.4Very high0 Ų07.9 Ų7.90%04%0.043CC..Hα-helixtrans-56.5-51.3172.4168.60000110.2I209 A212 A213 C217 I218 F223 F224 V225 I455 F458I209-V221 HydrophobicContact CG2-CG1 4.31Å; A212-V221 HydrophobicContact CB-CG2 3.73Å; A213-V221 HydrophobicContact CB-CG2 4.17Å; C217-V221 WeakPolarHBondContact O-CG2 3.35Å; C217-V221 PolarHBondContact O-N 2.96Å; I218-V221 PolarHBondContact O-N 3.23Å; V221-F223 PolarHBondContact O-N 2.77Å; V221-F224 PolarHBondContact O-N 3.33Å; V221-V225 HydrophobicContact CG1-CG2 4.21Å; V221-V225 WeakPolarHBondContact O-CB 3.08Å; V221-V225 WeakPolarHBondContact O-CG2 3.46Å; V221-V225 PolarHBondContact O-N 3.27Å; V221-I455 HydrophobicContact CG2-CD1 4.03Å; V221-F458 HydrophobicContact CG1-CD2 4.33Å; V221-F458 HydrophobicContact CG1-CE2 4.25Å
222L93.7Very high95.4Very high2 Ų210 Ų101%0.017%0.065CC..Hα-helixtrans-64.3-41.1179.6-68.4172.7000112.1C9 L12 L13 I218 Y219 L220 V225 R226 N319 L454C9-L222 HydrophobicContact CB-CD1 3.72Å; C9-L222 HydrophobicContact CB-CD2 4.08Å; L12-L222 HydrophobicContact CD2-CB 4.3Å; L12-L222 HydrophobicContact CD2-CD2 4.09Å; L12-L222 WeakPolarHBondContact CD2-O 3.13Å; L13-L222 HydrophobicContact CD1-CD2 4.37Å; I218-L222 HydrophobicContact CG2-CD1 3.92Å; I218-L222 HydrophobicContact CG2-CG 4.22Å; I218-L222 WeakPolarHBondContact O-CG 3.43Å; I218-L222 PolarHBondContact O-N 3.18Å; Y219-L222 PolarHBondContact O-N 3.45Å; L220-L222 PolarHBondContact O-N 3.16Å; L222-V225 PolarHBondContact O-N 3.46Å; L222-R226 PolarHBondContact O-N 2.94Å; L222-R226 VanDerWaalsContact O-N 3.07Å; L222-N319 HydrophobicContact CD1-CB 4.29Å; L222-L454 HydrophobicContact CD1-CD1 4.46Å; L222-L454 HydrophobicContact CD2-CD1 3.81Å; L222-L454 HydrophobicContact CG-CD1 4.23Å
223F94.4Very high95.3Very high7 Ų710.3 Ų10.33%0.0317%0.068CC..Hα-helixtrans-56.9-52.5175.1174.9-104.5000111.5W165 N169 K189 Y219 L220 V221 R226 Q227W165-F223 HydrophobicContact CE3-CZ 4.39Å; N169-F223 VanDerWaalsContact OD1-CE2 3.27Å; N169-F223 WeakPolarHBondContact OD1-CE2 3.37Å; K189-F223 VanDerWaalsContact NZ-CZ 3.32Å; Y219-F223 WeakPolarHBondContact O-CB 3.48Å; Y219-F223 PolarHBondContact O-N 3.37Å; L220-F223 PolarHBondContact O-N 3.19Å; V221-F223 PolarHBondContact O-N 2.77Å; F223-R226 WeakPolarHBondContact O-CB 3.1Å; F223-R226 PolarHBondContact O-N 3.49Å; F223-Q227 HydrophobicContact CE1-CG 4.21Å; F223-Q227 HydrophobicContact CE2-CG 4.33Å; F223-Q227 HydrophobicContact CZ-CG 3.99Å; F223-Q227 PolarHBondContact O-N 3.05Å
224F97Very high95.4Very high0 Ų013.1 Ų13.10%09%0.086CC..Hα-helixtrans-74.9-27.1-177.6-67.5-60.8000113.4F193 Y205 A208 I209 A212 L220 V221 R226 Q227 F228 V301F193-F224 HydrophobicContact CE1-CD1 4.42Å; F193-F224 AromaticContact CE1-CE1 3.98Å; F193-F224 HydrophobicContact CE1-CE1 3.98Å; F193-F224 HydrophobicContact CE2-CE1 4.16Å; F193-F224 HydrophobicContact CZ-CD1 4.44Å; F193-F224 AromaticContact CZ-CE1 3.6Å; F193-F224 HydrophobicContact CZ-CE1 3.6Å; F193-F224 HydrophobicContact CZ-CZ 4.05Å; Y205-F224 HydrophobicContact CD1-CD1 4.11Å; A208-F224 HydrophobicContact CB-CB 4.16Å; A208-F224 HydrophobicContact CB-CD1 3.62Å; A208-F224 HydrophobicContact CB-CD2 3.66Å; A208-F224 HydrophobicContact CB-CE1 3.8Å; A208-F224 HydrophobicContact CB-CE2 3.88Å; A208-F224 HydrophobicContact CB-CG 3.55Å; A208-F224 HydrophobicContact CB-CZ 3.94Å; I209-F224 HydrophobicContact CG1-CB 3.59Å; A212-F224 HydrophobicContact CB-CD2 4.49Å; L220-F224 HydrophobicContact CB-CD2 4.23Å; L220-F224 HydrophobicContact CB-CE2 4.15Å; L220-F224 HydrophobicContact CD2-CE2 4.28Å; L220-F224 WeakPolarHBondContact O-CD2 3.44Å; L220-F224 PolarHBondContact O-N 3.38Å; V221-F224 PolarHBondContact O-N 3.33Å; F224-R226 VanDerWaalsContact C-N 3.31Å; F224-Q227 PolarHBondContact O-N 2.93Å; F224-F228 VanDerWaalsContact O-CB 3.29Å; F224-F228 WeakPolarHBondContact O-CB 3.32Å; F224-F228 PolarHBondContact O-N 3.19Å; F224-V301 HydrophobicContact CE2-CG1 4.04Å; F224-V301 HydrophobicContact CE2-CG2 3.67Å; F224-V301 HydrophobicContact CZ-CG2 3.77Å
225V96Very high95.3Very high0 Ų016.2 Ų16.20%010%0.103CC..Hα-helixtrans-58.2-46.6167.8163.40000110.2L12 L13 I209 V221 L222 Q227 F228 I229 L238L12-V225 HydrophobicContact CD2-CB 4.38Å; L12-V225 HydrophobicContact CD2-CG1 4.01Å; L12-V225 HydrophobicContact CG-CG1 3.98Å; L13-V225 HydrophobicContact CG-CG1 4.16Å; I209-V225 HydrophobicContact CD1-CB 4.38Å; I209-V225 HydrophobicContact CD1-CG2 3.75Å; I209-V225 HydrophobicContact CG1-CG2 4.14Å; V221-V225 HydrophobicContact CG1-CG2 4.21Å; V221-V225 WeakPolarHBondContact O-CB 3.08Å; V221-V225 WeakPolarHBondContact O-CG2 3.46Å; V221-V225 PolarHBondContact O-N 3.27Å; L222-V225 PolarHBondContact O-N 3.46Å; V225-Q227 VanDerWaalsContact C-N 3.32Å; V225-Q227 PolarHBondContact O-N 3.05Å; V225-F228 WeakPolarHBondContact O-CB 3.47Å; V225-F228 PolarHBondContact O-N 3Å; V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.11Å; V225-I229 PolarHBondContact O-N 2.78Å; V225-L238 HydrophobicContact CG1-CD1 4.03Å; V225-L238 HydrophobicContact CG2-CD2 4.18Å
226R94.8Very high95.3Very high22 Ų2218.6 Ų18.68%0.08312%0.12CC..Hα-helixtrans-59.8-45.9178.2-166.5173.6-176.1116.510.9111.2L12 V20 D87 L222 F223 F224 I229 S230 D318L12-R226 HydrophobicContact CD1-CB 4.37Å; L12-R226 HydrophobicContact CD1-CG 4.33Å; L12-R226 HydrophobicContact CD2-CB 4.21Å; V20-R226 HydrophobicContact CG1-CG 3.52Å; V20-R226 PolarHBondContact O-NH2 2.93Å; D87-R226 IonicContact OD1-CZ 3.72Å; D87-R226 IonicContact OD1-NH1 2.78Å; D87-R226 PolarHBondContact OD1-NH1 2.97Å; D87-R226 IonicContact OD1-NH2 3.76Å; D87-R226 PolarHBondContact OD1-NH2 3.47Å; D87-R226 IonicContact OD2-CZ 2.96Å; D87-R226 IonicContact OD2-NH1 3.12Å; D87-R226 PolarHBondContact OD2-NH1 3.34Å; D87-R226 IonicContact OD2-NH2 2.64Å; D87-R226 PolarHBondContact OD2-NH2 3.48Å; L222-R226 PolarHBondContact O-N 2.94Å; L222-R226 VanDerWaalsContact O-N 3.07Å; F223-R226 WeakPolarHBondContact O-CB 3.1Å; F223-R226 PolarHBondContact O-N 3.49Å; F224-R226 VanDerWaalsContact C-N 3.31Å; R226-I229 PolarHBondContact O-N 3.4Å; R226-S230 PolarHBondContact O-N 3.02Å; R226-S230 PolarHBondContact O-OG 3.49Å; R226-D318 IonicContact NH1-OD2 3.53Å; R226-D318 PolarHBondContact NH1-OD2 3.13Å
227Q96.2Very high95.5Very high19 Ų1919.8 Ų19.89%0.08913%0.125CC..Hα-helixtrans-67.4-37179.1-57.6-58.11300113.2Y205 F223 F224 V225 I229 S230 S231Y205-Q227 HydrophobicContact CD1-CB 3.44Å; Y205-Q227 VanDerWaalsContact CD1-CB 3.44Å; Y205-Q227 HydrophobicContact CD1-CG 4.29Å; Y205-Q227 HydrophobicContact CD2-CB 4.21Å; Y205-Q227 HydrophobicContact CE1-CB 3.56Å; Y205-Q227 HydrophobicContact CE1-CG 4.14Å; Y205-Q227 HydrophobicContact CE2-CB 4.33Å; Y205-Q227 HydrophobicContact CG-CB 3.78Å; F223-Q227 HydrophobicContact CE1-CG 4.21Å; F223-Q227 HydrophobicContact CE2-CG 4.33Å; F223-Q227 HydrophobicContact CZ-CG 3.99Å; F223-Q227 PolarHBondContact O-N 3.05Å; F224-Q227 PolarHBondContact O-N 2.93Å; V225-Q227 VanDerWaalsContact C-N 3.32Å; V225-Q227 PolarHBondContact O-N 3.05Å; Q227-I229 VanDerWaalsContact C-N 3.34Å; Q227-I229 PolarHBondContact O-N 3.09Å; Q227-S230 PolarHBondContact O-N 3.44Å; Q227-S231 VanDerWaalsContact O-CB 3.3Å; Q227-S231 WeakPolarHBondContact O-CB 3.3Å; Q227-S231 PolarHBondContact O-N 2.9Å; Q227-S231 PolarHBondContact O-OG 3.37Å
228F97.7Very high95.5Very high0 Ų019.9 Ų19.90%013%0.125CC..Hα-helixtrans-58-48.1173176.9-97.2000111P202 Y206 I209 F224 V225 S231 G233 P234 W237 L238P202-F228 HydrophobicContact CB-CD2 4.26Å; P202-F228 HydrophobicContact CB-CE2 4.05Å; P202-F228 VanDerWaalsContact O-CD2 3.24Å; P202-F228 WeakPolarHBondContact O-CD2 3.41Å; Y206-F228 HydrophobicContact CD2-CD2 4.46Å; Y206-F228 HydrophobicContact CD2-CE2 4.15Å; Y206-F228 HydrophobicContact CD2-CZ 4.43Å; Y206-F228 HydrophobicContact CG-CE2 4.33Å; I209-F228 HydrophobicContact CD1-CB 4.02Å; I209-F228 HydrophobicContact CD1-CG 4.39Å; F224-F228 VanDerWaalsContact O-CB 3.29Å; F224-F228 WeakPolarHBondContact O-CB 3.32Å; F224-F228 PolarHBondContact O-N 3.19Å; V225-F228 WeakPolarHBondContact O-CB 3.47Å; V225-F228 PolarHBondContact O-N 3Å; F228-S231 PolarHBondContact O-N 2.88Å; F228-S231 PolarHBondContact O-OG 3.47Å; F228-G233 VanDerWaalsContact CZ-C 3.49Å; F228-G233 VanDerWaalsContact CZ-CA 3.47Å; F228-G233 PolarHBondContact O-N 3.32Å; F228-P234 VanDerWaalsContact CE1-O 3.3Å; F228-P234 WeakPolarHBondContact CE1-O 3.41Å; F228-P234 WeakPolarHBondContact CZ-O 3.45Å; F228-W237 HydrophobicContact CE2-CD2 4.47Å; F228-W237 AromaticContact CE2-CE3 3.7Å; F228-W237 HydrophobicContact CE2-CE3 3.7Å; F228-W237 HydrophobicContact CE2-CZ3 4.17Å; F228-W237 HydrophobicContact CZ-CB 3.98Å; F228-W237 HydrophobicContact CZ-CD2 4.08Å; F228-W237 AromaticContact CZ-CE3 3.76Å; F228-W237 HydrophobicContact CZ-CE3 3.76Å; F228-W237 HydrophobicContact CZ-CG 4.24Å; F228-L238 HydrophobicContact CD1-CD1 4.05Å; F228-L238 HydrophobicContact CD1-CD2 3.6Å; F228-L238 HydrophobicContact CD1-CG 3.87Å; F228-L238 HydrophobicContact CE1-CD1 4.34Å; F228-L238 HydrophobicContact CE1-CD2 3.86Å; F228-L238 HydrophobicContact CE1-CG 3.84Å; F228-L238 HydrophobicContact CG-CD2 4.28Å
229I96.7Very high95.6Very high2 Ų224.7 Ų24.71%0.0115%0.148CC..Hα-helixtrans-62-52.4176.6-62.3168.4000109.9L12 L17 V20 V225 R226 Q227 S231 G232 L235 L238L12-I229 WeakPolarHBondContact O-CD1 3.33Å; L17-I229 WeakPolarHBondContact CD1-O 3.39Å; V20-I229 HydrophobicContact CB-CG2 4.12Å; V20-I229 HydrophobicContact CG2-CB 4.28Å; V20-I229 HydrophobicContact CG2-CD1 4.44Å; V20-I229 HydrophobicContact CG2-CG2 3.68Å; V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.11Å; V225-I229 PolarHBondContact O-N 2.78Å; R226-I229 PolarHBondContact O-N 3.4Å; Q227-I229 VanDerWaalsContact C-N 3.34Å; Q227-I229 PolarHBondContact O-N 3.09Å; I229-S231 PolarHBondContact O-N 3.43Å; I229-S231 VanDerWaalsContact O-N 3.16Å; I229-G232 PolarHBondContact O-N 3.2Å; I229-L235 HydrophobicContact CB-CD2 4.48Å; I229-L235 HydrophobicContact CD1-CD2 4.38Å; I229-L235 HydrophobicContact CG1-CD2 3.73Å; I229-L235 HydrophobicContact CG2-CD2 4.29Å; I229-L238 HydrophobicContact CD1-CD1 4.07Å; I229-L238 HydrophobicContact CG1-CD1 3.93Å
230S94.7Very high95.6Very high32 Ų3224.4 Ų24.422%0.22415%0.147CC..Hα-helixtrans-57-31.1179.8-75.60000113.9L17 V20 N21 R226 Q227 G232L17-S230 WeakPolarHBondContact CD1-O 3.35Å; V20-S230 WeakPolarHBondContact CG1-OG 3.46Å; N21-S230 PolarHBondContact ND2-O 2.95Å; N21-S230 VanDerWaalsContact OD1-CB 3.3Å; N21-S230 WeakPolarHBondContact OD1-CB 3.32Å; N21-S230 PolarHBondContact OD1-OG 3.27Å; R226-S230 PolarHBondContact O-N 3.02Å; R226-S230 PolarHBondContact O-OG 3.49Å; Q227-S230 PolarHBondContact O-N 3.44Å; S230-G232 VanDerWaalsContact C-N 3.26Å; S230-G232 PolarHBondContact O-N 2.87Å
231S95.4Very high95.5Very high39 Ų3925 Ų2527%0.27315%0.15SC..THydrogen-bonded Turntrans-79.1-217771.80000114.6P202 Q227 F228 I229P202-S231 WeakPolarHBondContact CA-OG 3.4Å; Q227-S231 VanDerWaalsContact O-CB 3.3Å; Q227-S231 WeakPolarHBondContact O-CB 3.3Å; Q227-S231 PolarHBondContact O-N 2.9Å; Q227-S231 PolarHBondContact O-OG 3.37Å; F228-S231 PolarHBondContact O-N 2.88Å; F228-S231 PolarHBondContact O-OG 3.47Å; I229-S231 PolarHBondContact O-N 3.43Å; I229-S231 VanDerWaalsContact O-N 3.16Å
232G96.3Very high95.3Very high44 Ų4430.1 Ų30.145%0.45417%0.174SC..THydrogen-bonded Turntrans84.322.8-177.900000114.1I229 S230I229-G232 PolarHBondContact O-N 3.2Å; S230-G232 VanDerWaalsContact C-N 3.26Å; S230-G232 PolarHBondContact O-N 2.87Å
233G97.1Very high95.3Very high7 Ų735.8 Ų35.87%0.07220%0.196CC..  trans-64.6145.2179.200000113.7F228 L235F228-G233 VanDerWaalsContact CZ-C 3.49Å; F228-G233 VanDerWaalsContact CZ-CA 3.47Å; F228-G233 PolarHBondContact O-N 3.32Å; G233-L235 PolarHBondContact O-N 3.42Å; G233-L235 VanDerWaalsContact O-N 3.15Å
234P96.4Very high95.2Very high58 Ų5835.7 Ų35.738%0.37720%0.197SC..  trans-64.3115.4177.7-2233.5000112.2F228 S236 W237F228-P234 VanDerWaalsContact CE1-O 3.3Å; F228-P234 WeakPolarHBondContact CE1-O 3.41Å; F228-P234 WeakPolarHBondContact CZ-O 3.45Å; P234-S236 PolarHBondContact O-N 3.36Å; P234-W237 HydrophobicContact CB-CD2 4.41Å; P234-W237 HydrophobicContact CB-CG 4.24Å; P234-W237 HydrophobicContact CG-CD2 4.35Å; P234-W237 HydrophobicContact CG-CZ2 4.02Å; P234-W237 WeakPolarHBondContact O-CB 3.48Å; P234-W237 PolarHBondContact O-N 3.27Å
235L95.5Very high94.9Very high73 Ų7337 Ų3738%0.38221%0.206SC..G310 helixtrans-59.2-24.6-176.9-58.2-176000113.7I229 G233 W237 L238I229-L235 HydrophobicContact CB-CD2 4.48Å; I229-L235 HydrophobicContact CD1-CD2 4.38Å; I229-L235 HydrophobicContact CG1-CD2 3.73Å; I229-L235 HydrophobicContact CG2-CD2 4.29Å; G233-L235 PolarHBondContact O-N 3.42Å; G233-L235 VanDerWaalsContact O-N 3.15Å; L235-W237 PolarHBondContact O-N 2.93Å; L235-L238 HydrophobicContact CD2-CD1 4.29Å; L235-L238 WeakPolarHBondContact O-CB 3.43Å; L235-L238 PolarHBondContact O-N 3.27Å; L235-L238 VanDerWaalsContact O-N 3.12Å
236S95.7Very high94.6Very high59 Ų5938.9 Ų38.941%0.41322%0.218SC..G310 helixtrans-58.5-30.9174.6550000112.6P234 L238 Q239 Y243P234-S236 PolarHBondContact O-N 3.36Å; S236-L238 PolarHBondContact O-N 3.45Å; S236-Q239 WeakPolarHBondContact O-CB 3.26Å; S236-Q239 WeakPolarHBondContact O-CG 3.46Å; S236-Q239 PolarHBondContact O-N 2.94Å; S236-Y243 VanDerWaalsContact O-CB 3.27Å; S236-Y243 WeakPolarHBondContact O-CB 3.42Å
237W96.1Very high94.3Very high38 Ų3839.6 Ų39.614%0.14422%0.222CC..G310 helixtrans-66.9-26.8179.4-63.39.3000112.2Y206 F228 P234 L235 Q239 G240 P245Y206-W237 AromaticContact CD1-CE3 3.92Å; Y206-W237 HydrophobicContact CD1-CE3 3.92Å; Y206-W237 HydrophobicContact CD1-CZ3 4.34Å; Y206-W237 HydrophobicContact CD2-CB 4.04Å; Y206-W237 AromaticContact CD2-CE3 3.99Å; Y206-W237 HydrophobicContact CD2-CE3 3.99Å; Y206-W237 HydrophobicContact CE1-CE3 4.31Å; Y206-W237 HydrophobicContact CE2-CB 3.59Å; Y206-W237 HydrophobicContact CE2-CE3 4.41Å; Y206-W237 WeakPolarHBondContact CE2-O 3.24Å; Y206-W237 AromaticContact CG-CE3 3.73Å; Y206-W237 HydrophobicContact CG-CE3 3.73Å; Y206-W237 HydrophobicContact CG-CZ3 4.29Å; Y206-W237 PolarHBondContact OH-O 3.32Å; F228-W237 HydrophobicContact CE2-CD2 4.47Å; F228-W237 AromaticContact CE2-CE3 3.7Å; F228-W237 HydrophobicContact CE2-CE3 3.7Å; F228-W237 HydrophobicContact CE2-CZ3 4.17Å; F228-W237 HydrophobicContact CZ-CB 3.98Å; F228-W237 HydrophobicContact CZ-CD2 4.08Å; F228-W237 AromaticContact CZ-CE3 3.76Å; F228-W237 HydrophobicContact CZ-CE3 3.76Å; F228-W237 HydrophobicContact CZ-CG 4.24Å; P234-W237 HydrophobicContact CB-CD2 4.41Å; P234-W237 HydrophobicContact CB-CG 4.24Å; P234-W237 HydrophobicContact CG-CD2 4.35Å; P234-W237 HydrophobicContact CG-CZ2 4.02Å; P234-W237 WeakPolarHBondContact O-CB 3.48Å; P234-W237 PolarHBondContact O-N 3.27Å; L235-W237 PolarHBondContact O-N 2.93Å; W237-Q239 PolarHBondContact O-N 3.41Å; W237-G240 PolarHBondContact O-N 2.91Å; W237-P245 HydrophobicContact CD2-CG 4.38Å; W237-P245 VanDerWaalsContact CE2-CD 3.49Å; W237-P245 HydrophobicContact CE3-CG 4.36Å; W237-P245 HydrophobicContact CH2-CG 3.26Å; W237-P245 VanDerWaalsContact CZ2-CD 3.48Å; W237-P245 HydrophobicContact CZ2-CG 3.23Å; W237-P245 HydrophobicContact CZ3-CG 3.84Å
238L95.3Very high94.1Very high3 Ų339.1 Ų39.12%0.01622%0.219CC..G310 helixtrans-72.1-6.5178.9-59-177.4000113.2I209 V225 F228 I229 L235 S236 G240 R457 F458I209-L238 HydrophobicContact CD1-CD2 3.85Å; V225-L238 HydrophobicContact CG1-CD1 4.03Å; V225-L238 HydrophobicContact CG2-CD2 4.18Å; F228-L238 HydrophobicContact CD1-CD1 4.05Å; F228-L238 HydrophobicContact CD1-CD2 3.6Å; F228-L238 HydrophobicContact CD1-CG 3.87Å; F228-L238 HydrophobicContact CE1-CD1 4.34Å; F228-L238 HydrophobicContact CE1-CD2 3.86Å; F228-L238 HydrophobicContact CE1-CG 3.84Å; F228-L238 HydrophobicContact CG-CD2 4.28Å; I229-L238 HydrophobicContact CD1-CD1 4.07Å; I229-L238 HydrophobicContact CG1-CD1 3.93Å; L235-L238 HydrophobicContact CD2-CD1 4.29Å; L235-L238 WeakPolarHBondContact O-CB 3.43Å; L235-L238 PolarHBondContact O-N 3.27Å; L235-L238 VanDerWaalsContact O-N 3.12Å; S236-L238 PolarHBondContact O-N 3.45Å; L238-G240 VanDerWaalsContact C-N 3.27Å; L238-R457 VanDerWaalsContact O-CD 3.25Å; L238-R457 WeakPolarHBondContact O-CD 3.15Å; L238-R457 PolarHBondContact O-NH1 3.27Å; L238-F458 HydrophobicContact CD2-CZ 4.3Å
239Q93.8Very high93.7Very high107 Ų10744 Ų4450%0.524%0.238SC..G310 helixtrans-72.1-22.2172.2-61.7-179.81700112.2S236 W237 Y243S236-Q239 WeakPolarHBondContact O-CB 3.26Å; S236-Q239 WeakPolarHBondContact O-CG 3.46Å; S236-Q239 PolarHBondContact O-N 2.94Å; W237-Q239 PolarHBondContact O-N 3.41Å; Q239-Y243 HydrophobicContact CB-CD1 4.43Å; Q239-Y243 HydrophobicContact CB-CD2 3.43Å; Q239-Y243 VanDerWaalsContact CB-CD2 3.43Å; Q239-Y243 HydrophobicContact CB-CE2 3.65Å; Q239-Y243 HydrophobicContact CB-CG 3.84Å
240G93.2Very high93.3Very high0 Ų046.3 Ų46.30%025%0.248CC..  trans150.3171.9173.600000113.6Y206 W237 L238 Q242 Y243 G244 R457Y206-G240 PolarHBondContact OH-O 3.19Å; Y206-G240 VanDerWaalsContact OH-O 3.11Å; W237-G240 PolarHBondContact O-N 2.91Å; L238-G240 VanDerWaalsContact C-N 3.27Å; G240-Q242 PolarHBondContact O-N 3.24Å; G240-Q242 VanDerWaalsContact O-N 3.14Å; G240-Y243 PolarHBondContact O-N 2.8Å; G240-G244 PolarHBondContact O-N 2.81Å; G240-R457 CarbonylContact C-O 3.58Å; G240-R457 WeakPolarHBondContact CA-O 3.39Å
241V93.4Very high93.2Very high13 Ų1345.1 Ų45.18%0.07924%0.24CC..G310 helixtrans-55.4-34.4-177.2-169.90000112.3Y206 Y243 G244 R249 R457 F458Y206-V241 WeakPolarHBondContact OH-CA 3.19Å; V241-Y243 PolarHBondContact O-N 2.9Å; V241-G244 PolarHBondContact O-N 3.45Å; V241-R249 HydrophobicContact CG1-CB 4.32Å; V241-R249 HydrophobicContact CG1-CG 3.97Å; V241-R249 PolarHBondContact O-NE 3.1Å; V241-R457 PolarHBondContact N-O 3.43Å; V241-F458 VanDerWaalsContact CG2-CA 3.41Å; V241-F458 HydrophobicContact CG2-CB 4.4Å; V241-F458 WeakPolarHBondContact CG2-O 3.43Å
242Q92.2Very high93.1Very high107 Ų10743.9 Ų43.950%0.523%0.23SC..G310 helixtrans-67.9-16.2179.571.1-82.321.400114.1G240 R249G240-Q242 PolarHBondContact O-N 3.24Å; G240-Q242 VanDerWaalsContact O-N 3.14Å; Q242-R249 VanDerWaalsContact C-NH2 3.28Å; Q242-R249 PolarHBondContact O-NH2 2.97Å
243Y94.1Very high92.9Very high121 Ų12142.8 Ų42.848%0.47522%0.22SC..G310 helixtrans-98.5-12.7176.1-61.4-85.7000112.9S236 Q239 G240 V241S236-Y243 VanDerWaalsContact O-CB 3.27Å; S236-Y243 WeakPolarHBondContact O-CB 3.42Å; Q239-Y243 HydrophobicContact CB-CD1 4.43Å; Q239-Y243 HydrophobicContact CB-CD2 3.43Å; Q239-Y243 VanDerWaalsContact CB-CD2 3.43Å; Q239-Y243 HydrophobicContact CB-CE2 3.65Å; Q239-Y243 HydrophobicContact CB-CG 3.84Å; G240-Y243 PolarHBondContact O-N 2.8Å; V241-Y243 PolarHBondContact O-N 2.9Å
244G92.2Very high92.9Very high5 Ų543 Ų435%0.05222%0.219CC..SBendtrans-77.6168.2171.400000112.8G240 V241 R249G240-G244 PolarHBondContact O-N 2.81Å; V241-G244 PolarHBondContact O-N 3.45Å; G244-R249 PolarHBondContact O-NH2 3.19Å; G244-R249 VanDerWaalsContact O-NH2 3.07Å
245P91.2Very high92.9Very high27 Ų2740.4 Ų40.418%0.17520%0.202CC..  trans-53.8138.9178.7-27.335000112.8W237 K247 W248 R249W237-P245 HydrophobicContact CD2-CG 4.38Å; W237-P245 VanDerWaalsContact CE2-CD 3.49Å; W237-P245 HydrophobicContact CE3-CG 4.36Å; W237-P245 HydrophobicContact CH2-CG 3.26Å; W237-P245 VanDerWaalsContact CZ2-CD 3.48Å; W237-P245 HydrophobicContact CZ2-CG 3.23Å; W237-P245 HydrophobicContact CZ3-CG 3.84Å; P245-K247 PolarHBondContact O-N 3.35Å; P245-W248 HydrophobicContact CB-CG 4.35Å; P245-W248 PolarHBondContact O-N 3.24Å; P245-R249 PolarHBondContact O-N 3.15Å
246P88.8Confident93Very high41 Ų4139.8 Ų39.827%0.26620%0.195SC..Hα-helixtrans-53.2-39.3174-27.337.4000112.5W248 R249 Q250 L282P246-W248 PolarHBondContact O-N 3.22Å; P246-R249 PolarHBondContact O-N 3.19Å; P246-R249 VanDerWaalsContact O-N 3.12Å; P246-Q250 PolarHBondContact O-N 3.29Å; P246-L282 HydrophobicContact CB-CD1 3.95Å; P246-L282 HydrophobicContact CG-CD1 3.66Å
247K88.4Confident93Very high36 Ų3638.4 Ų38.416%0.15718%0.182CC..Hα-helixtrans-49.3-37.2172.7-169175.6-175.4168.60114.9P245 Q250 E284 L286 E290P245-K247 PolarHBondContact O-N 3.35Å; K247-Q250 WeakPolarHBondContact O-CG 3.21Å; K247-Q250 PolarHBondContact O-NE2 3.34Å; K247-Q250 VanDerWaalsContact O-NE2 3.11Å; K247-E284 HydrophobicContact CB-CB 4.24Å; K247-E284 WeakPolarHBondContact CB-OE2 3.49Å; K247-E284 PolarHBondContact N-OE2 3.37Å; K247-L286 HydrophobicContact CG-CD1 4.31Å; K247-L286 HydrophobicContact CG-CG 4.41Å; K247-E290 IonicContact NZ-OE1 3.88Å; K247-E290 PolarHBondContact NZ-OE1 2.91Å; K247-E290 IonicContact NZ-OE2 2.69Å; K247-E290 PolarHBondContact NZ-OE2 3.21Å
248W91.1Very high93Very high9 Ų936.6 Ų36.63%0.03418%0.175CC..Hα-helixtrans-91.6-24.9-179.6-51.9142.7000112.8L199 D203 I207 P245 P246 Q250 L251 L286 V294L199-W248 HydrophobicContact CD2-CH2 3.41Å; L199-W248 VanDerWaalsContact CD2-CH2 3.41Å; L199-W248 HydrophobicContact CD2-CZ2 4.06Å; L199-W248 HydrophobicContact CD2-CZ3 4.15Å; D203-W248 HydrophobicContact CB-CZ2 4.06Å; D203-W248 PolarHBondContact OD1-NE1 3.34Å; I207-W248 HydrophobicContact CD1-CD2 4.38Å; I207-W248 HydrophobicContact CD1-CE3 4.34Å; P245-W248 HydrophobicContact CB-CG 4.35Å; P245-W248 PolarHBondContact O-N 3.24Å; P246-W248 PolarHBondContact O-N 3.22Å; W248-Q250 VanDerWaalsContact C-N 3.35Å; W248-Q250 PolarHBondContact O-N 3.02Å; W248-L251 HydrophobicContact CE3-CD1 3.63Å; W248-L251 HydrophobicContact CZ3-CD1 4.3Å; W248-L251 VanDerWaalsContact O-CB 3.3Å; W248-L251 WeakPolarHBondContact O-CB 3.19Å; W248-L251 PolarHBondContact O-N 2.96Å; W248-L251 VanDerWaalsContact O-N 3.14Å; W248-L286 HydrophobicContact CZ3-CD2 3.96Å; W248-L286 HydrophobicContact CZ3-CG 4.4Å; W248-V294 HydrophobicContact CZ3-CG2 4.12Å
249R89.7Confident93.1Very high104 Ų10436.5 Ų36.539%0.39218%0.175SC..Hα-helixtrans-63.4-39.9176.6-170176.8-49.5158.613.3112.6V241 Q242 G244 P245 P246 L251 C252V241-R249 HydrophobicContact CG1-CB 4.32Å; V241-R249 HydrophobicContact CG1-CG 3.97Å; V241-R249 PolarHBondContact O-NE 3.1Å; Q242-R249 VanDerWaalsContact C-NH2 3.28Å; Q242-R249 PolarHBondContact O-NH2 2.97Å; G244-R249 PolarHBondContact O-NH2 3.19Å; G244-R249 VanDerWaalsContact O-NH2 3.07Å; P245-R249 PolarHBondContact O-N 3.15Å; P246-R249 PolarHBondContact O-N 3.19Å; P246-R249 VanDerWaalsContact O-N 3.12Å; R249-L251 PolarHBondContact O-N 2.91Å; R249-L251 VanDerWaalsContact O-N 3.13Å; R249-C252 WeakPolarHBondContact O-CB 3.38Å; R249-C252 PolarHBondContact O-N 3.18Å; R249-C252 VanDerWaalsContact O-N 3.08Å; R249-C252 PolarHBondContact O-SG 3.12Å
250Q89.1Confident93.2Very high49 Ų4931.8 Ų31.823%0.22915%0.153CC..THydrogen-bonded Turntrans-62-18.5176.763.2-171.2-1300113.3P246 K247 W248 C252 L273 N280 E284 L286P246-Q250 PolarHBondContact O-N 3.29Å; K247-Q250 WeakPolarHBondContact O-CG 3.21Å; K247-Q250 PolarHBondContact O-NE2 3.34Å; K247-Q250 VanDerWaalsContact O-NE2 3.11Å; W248-Q250 VanDerWaalsContact C-N 3.35Å; W248-Q250 PolarHBondContact O-N 3.02Å; Q250-C252 VanDerWaalsContact C-N 3.26Å; Q250-C252 PolarHBondContact O-N 3.13Å; Q250-L273 HydrophobicContact CB-CD2 4.32Å; Q250-L273 HydrophobicContact CG-CD2 3.97Å; Q250-N280 PolarHBondContact OE1-ND2 3.32Å; Q250-E284 PolarHBondContact NE2-O 3.25Å; Q250-L286 HydrophobicContact CG-CD1 4.39Å
251L92.2Very high93.4Very high8 Ų834.9 Ų34.94%0.04217%0.165CC..Hα-helixtrans-74.9-10.9175.7-62172.3000113.6W248 R249 G253 L254 N255 L273 L286 V294W248-L251 HydrophobicContact CE3-CD1 3.63Å; W248-L251 HydrophobicContact CZ3-CD1 4.3Å; W248-L251 VanDerWaalsContact O-CB 3.3Å; W248-L251 WeakPolarHBondContact O-CB 3.19Å; W248-L251 PolarHBondContact O-N 2.96Å; W248-L251 VanDerWaalsContact O-N 3.14Å; R249-L251 PolarHBondContact O-N 2.91Å; R249-L251 VanDerWaalsContact O-N 3.13Å; L251-G253 PolarHBondContact O-N 2.88Å; L251-L254 HydrophobicContact CD2-CD2 4.23Å; L251-L254 PolarHBondContact O-N 3.33Å; L251-N255 VanDerWaalsContact O-CB 3.27Å; L251-N255 WeakPolarHBondContact O-CB 3.46Å; L251-N255 PolarHBondContact O-N 3.18Å; L251-L273 HydrophobicContact CD2-CD1 4.46Å; L251-L273 HydrophobicContact CD2-CD2 4.25Å; L251-L286 HydrophobicContact CD2-CD1 4.4Å; L251-L286 HydrophobicContact CD2-CD2 3.95Å; L251-V294 HydrophobicContact CD1-CB 4.4Å; L251-V294 HydrophobicContact CD1-CG1 3.51Å; L251-V294 HydrophobicContact CD1-CG2 3.93Å; L251-V294 HydrophobicContact CD2-CG1 4.02Å; L251-V294 HydrophobicContact CG-CG1 4.34Å
252C92.8Very high93.5Very high12 Ų1234.2 Ų34.28%0.08116%0.161CC..Hα-helixtrans-59-37-177.9-66.60000112.4R249 Q250 R256 D460R249-C252 WeakPolarHBondContact O-CB 3.38Å; R249-C252 PolarHBondContact O-N 3.18Å; R249-C252 VanDerWaalsContact O-N 3.08Å; R249-C252 PolarHBondContact O-SG 3.12Å; Q250-C252 VanDerWaalsContact C-N 3.26Å; Q250-C252 PolarHBondContact O-N 3.13Å; C252-R256 WeakPolarHBondContact O-CB 3.4Å; C252-R256 PolarHBondContact O-N 3Å; C252-R256 VanDerWaalsContact O-N 3.08Å; C252-D460 HydrophobicContact CB-CB 3.99Å
253G93.4Very high93.8Very high22 Ų2230 Ų3023%0.22714%0.141CC..Hα-helixtrans-63.1-53.6174.600000111.9L251 N255 R256 D257L251-G253 PolarHBondContact O-N 2.88Å; G253-N255 VanDerWaalsContact C-N 3.33Å; G253-N255 PolarHBondContact O-N 3.19Å; G253-R256 WeakPolarHBondContact O-CB 3.48Å; G253-R256 PolarHBondContact O-N 3.03Å; G253-D257 PolarHBondContact O-N 2.66Å
254L95.8Very high93.9Very high11 Ų1127.9 Ų27.96%0.05813%0.134CC..Hα-helixtrans-58.5-44.5178.1-172.871.8000112.1L251 R256 D257 L258 I265 L273 L291 V295 I611L251-L254 HydrophobicContact CD2-CD2 4.23Å; L251-L254 PolarHBondContact O-N 3.33Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-R256 PolarHBondContact O-N 2.81Å; L254-D257 PolarHBondContact O-N 3.17Å; L254-L258 WeakPolarHBondContact O-CB 3.48Å; L254-L258 PolarHBondContact O-N 2.86Å; L254-I265 HydrophobicContact CD1-CD1 4.22Å; L254-I265 HydrophobicContact CD1-CG1 4.48Å; L254-I265 HydrophobicContact CD1-CG2 4.18Å; L254-L273 HydrophobicContact CB-CD1 4.23Å; L254-L273 HydrophobicContact CD1-CD1 4.34Å; L254-L273 HydrophobicContact CD2-CD1 3.83Å; L254-L273 HydrophobicContact CG-CD1 4.37Å; L254-L291 HydrophobicContact CD2-CD1 3.78Å; L254-V295 HydrophobicContact CD2-CG2 4.1Å; L254-I611 HydrophobicContact CD1-CD1 3.74Å; L254-I611 HydrophobicContact CD2-CD1 4.04Å; L254-I611 HydrophobicContact CG-CD1 4.15Å
255N97.2Very high94.2Very high4 Ų428.2 Ų28.22%0.02113%0.134CC..Hα-helixtrans-58.6-46.1178.6-178.135.7000111.7I210 Q214 L251 G253 S259 L298 H302I210-N255 PolarHBondContact O-ND2 2.95Å; Q214-N255 WeakPolarHBondContact CB-ND2 3.28Å; L251-N255 VanDerWaalsContact O-CB 3.27Å; L251-N255 WeakPolarHBondContact O-CB 3.46Å; L251-N255 PolarHBondContact O-N 3.18Å; G253-N255 VanDerWaalsContact C-N 3.33Å; G253-N255 PolarHBondContact O-N 3.19Å; N255-S259 VanDerWaalsContact O-CB 3.31Å; N255-S259 WeakPolarHBondContact O-CB 3.09Å; N255-S259 PolarHBondContact O-N 3.24Å; N255-L298 HydrophobicContact CB-CD1 4.12Å; N255-L298 HydrophobicContact CB-CD2 4.31Å; N255-H302 PolarHBondContact O-CE1 2.75Å; N255-H302 PolarHBondContact OD1-CE1 2.85Å; N255-H302 PolarHBondContact OD1-NE2 3.37Å
256R96.5Very high94.4Very high60 Ų6029.7 Ų29.723%0.22614%0.143CC..Hα-helixtrans-61.1-50.9176177.3179.162.5-126.6-9.9111.5C252 G253 L254 S259 D260 D460 S461C252-R256 WeakPolarHBondContact O-CB 3.4Å; C252-R256 PolarHBondContact O-N 3Å; C252-R256 VanDerWaalsContact O-N 3.08Å; G253-R256 WeakPolarHBondContact O-CB 3.48Å; G253-R256 PolarHBondContact O-N 3.03Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-R256 PolarHBondContact O-N 2.81Å; R256-S259 WeakPolarHBondContact O-CB 3.45Å; R256-S259 PolarHBondContact O-N 2.76Å; R256-D260 VanDerWaalsContact O-CB 3.26Å; R256-D260 WeakPolarHBondContact O-CB 3.41Å; R256-D260 VanDerWaalsContact O-CG 3.22Å; R256-D260 PolarHBondContact O-N 3.23Å; R256-D460 IonicContact NH1-OD2 3.16Å; R256-S461 PolarHBondContact NH1-OG 2.8Å
257D96.5Very high94.8Very high29 Ų2927.8 Ų27.816%0.15513%0.131CC..Hα-helixtrans-69.7-37.4-176.6-67.4-43.8000111.8G253 L254 S259 D260 R261 P262 I265G253-D257 PolarHBondContact O-N 2.66Å; L254-D257 PolarHBondContact O-N 3.17Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.27Å; D257-D260 PolarHBondContact O-N 3.15Å; D257-R261 CarbonylContact O-C 3.51Å; D257-R261 WeakPolarHBondContact O-CA 3.27Å; D257-R261 PolarHBondContact O-N 3.16Å; D257-R261 IonicContact OD1-NH2 3.15Å; D257-R261 PolarHBondContact OD1-NH2 2.71Å; D257-R261 VanDerWaalsContact OD1-NH2 3.12Å; D257-P262 WeakPolarHBondContact O-CA 3.32Å; D257-I265 HydrophobicContact CB-CG1 4.12Å
258L97.3Very high95Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-63.8-36.3174.5-171.766.5000112.5L254 P262 I265 V295 L298 C607 I611L254-L258 WeakPolarHBondContact O-CB 3.48Å; L254-L258 PolarHBondContact O-N 2.86Å; L258-P262 HydrophobicContact CD1-CB 4.47Å; L258-I265 HydrophobicContact CB-CD1 4.04Å; L258-I265 HydrophobicContact CD1-CD1 3.86Å; L258-V295 HydrophobicContact CD2-CG1 4.36Å; L258-L298 HydrophobicContact CD2-CB 3.9Å; L258-L298 HydrophobicContact CD2-CD1 4.37Å; L258-C607 HydrophobicContact CD1-CB 3.9Å; L258-C607 HydrophobicContact CG-CB 4.46Å; L258-C607 PolarHBondContact O-SG 2.78Å; L258-I611 HydrophobicContact CD1-CB 4.24Å; L258-I611 HydrophobicContact CD1-CD1 4.31Å; L258-I611 HydrophobicContact CD1-CG2 4.13Å
259S96Very high95.2Very high2 Ų232.8 Ų32.81%0.01416%0.16CC..Hα-helixtrans-67.4-50.1173.6166.40000112Q215 N255 R256 D257 R603Q215-S259 PolarHBondContact NE2-OG 3.24Å; N255-S259 VanDerWaalsContact O-CB 3.31Å; N255-S259 WeakPolarHBondContact O-CB 3.09Å; N255-S259 PolarHBondContact O-N 3.24Å; R256-S259 WeakPolarHBondContact O-CB 3.45Å; R256-S259 PolarHBondContact O-N 2.76Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.27Å; S259-R603 PolarHBondContact O-NH2 2.82Å
260D95.4Very high95.4Very high7 Ų727.8 Ų27.84%0.03714%0.141CC..Hα-helixtrans-102.1-40.5-158.3-61.7-10.2000112.9Q214 R256 D257 S464 G465 Y466Q214-D260 PolarHBondContact NE2-OD1 3.48Å; Q214-D260 PolarHBondContact NE2-OD2 3.44Å; R256-D260 VanDerWaalsContact O-CB 3.26Å; R256-D260 WeakPolarHBondContact O-CB 3.41Å; R256-D260 VanDerWaalsContact O-CG 3.22Å; R256-D260 PolarHBondContact O-N 3.23Å; D257-D260 PolarHBondContact O-N 3.15Å; D260-S464 WeakPolarHBondContact OD2-CB 3.24Å; D260-G465 WeakPolarHBondContact CB-O 3.3Å; D260-G465 VanDerWaalsContact CG-C 3.4Å; D260-G465 WeakPolarHBondContact OD2-CA 3.5Å; D260-G465 PolarHBondContact OD2-N 2.86Å; D260-Y466 WeakPolarHBondContact O-CA 3.48Å; D260-Y466 VanDerWaalsContact O-CD2 3.24Å; D260-Y466 WeakPolarHBondContact O-CD2 3.29Å
261R97.2Very high95.6Very high65 Ų6530.4 Ų30.425%0.24515%0.15CC..  trans-149.864.7-172.1-60.7175.8-62.1171.67.6110.2D257 W263 K264 R467D257-R261 CarbonylContact O-C 3.51Å; D257-R261 WeakPolarHBondContact O-CA 3.27Å; D257-R261 PolarHBondContact O-N 3.16Å; D257-R261 IonicContact OD1-NH2 3.15Å; D257-R261 PolarHBondContact OD1-NH2 2.71Å; D257-R261 VanDerWaalsContact OD1-NH2 3.12Å; R261-W263 HydrophobicContact CB-CD2 4.35Å; R261-W263 HydrophobicContact CB-CH2 4.29Å; R261-W263 HydrophobicContact CB-CZ2 3.91Å; R261-W263 HydrophobicContact CG-CH2 4.22Å; R261-W263 HydrophobicContact CG-CZ2 3.81Å; R261-W263 PolarHBondContact O-N 3.35Å; R261-K264 HydrophobicContact CB-CB 4.46Å; R261-K264 HydrophobicContact CB-CG 3.91Å; R261-K264 WeakPolarHBondContact O-CB 3.27Å; R261-K264 PolarHBondContact O-N 3.13Å; R261-R467 HydrophobicContact CG-CB 4.28Å
262P97.5Very high95.5Very high0 Ų033.9 Ų33.90%017%0.168CC..G310 helixtrans-58.1-26.4-173.323.2-35.8000112.9D257 L258 K264 I265 F538 C607 Y610D257-P262 WeakPolarHBondContact O-CA 3.32Å; L258-P262 HydrophobicContact CD1-CB 4.47Å; P262-K264 PolarHBondContact O-N 2.59Å; P262-I265 WeakPolarHBondContact O-CB 3.42Å; P262-I265 WeakPolarHBondContact O-CG1 3.4Å; P262-I265 PolarHBondContact O-N 3.01Å; P262-I265 VanDerWaalsContact O-N 3.17Å; P262-F538 HydrophobicContact CG-CD1 3.81Å; P262-C607 HydrophobicContact CB-CB 4.42Å; P262-Y610 HydrophobicContact CB-CD2 3.79Å; P262-Y610 HydrophobicContact CB-CG 4.26Å; P262-Y610 HydrophobicContact CG-CD2 3.94Å; P262-Y610 HydrophobicContact CG-CE2 4.33Å; P262-Y610 WeakPolarHBondContact O-CB 3.37Å
263W97.5Very high95.5Very high18 Ų1834 Ų347%0.06817%0.168CC..G310 helixtrans-65.8-13174.960.293.5000115.5R261 Y466 R467 F469 D470 A471 F538 Y610R261-W263 HydrophobicContact CB-CD2 4.35Å; R261-W263 HydrophobicContact CB-CH2 4.29Å; R261-W263 HydrophobicContact CB-CZ2 3.91Å; R261-W263 HydrophobicContact CG-CH2 4.22Å; R261-W263 HydrophobicContact CG-CZ2 3.81Å; R261-W263 PolarHBondContact O-N 3.35Å; W263-Y466 HydrophobicContact CH2-CD2 4.23Å; W263-Y466 AromaticContact CH2-CE2 3.64Å; W263-Y466 HydrophobicContact CH2-CE2 3.64Å; W263-Y466 HydrophobicContact CZ3-CE2 4.01Å; W263-R467 WeakPolarHBondContact CH2-O 3.48Å; W263-R467 VanDerWaalsContact CZ2-O 3.27Å; W263-R467 WeakPolarHBondContact CZ2-O 3.26Å; W263-F469 HydrophobicContact CB-CD2 4.43Å; W263-F469 HydrophobicContact CB-CE2 3.9Å; W263-F469 AromaticContact CD2-CD2 3.49Å; W263-F469 HydrophobicContact CD2-CD2 3.49Å; W263-F469 VanDerWaalsContact CD2-CD2 3.49Å; W263-F469 AromaticContact CD2-CE2 3.88Å; W263-F469 HydrophobicContact CD2-CE2 3.88Å; W263-F469 AromaticContact CE2-CD2 3.72Å; W263-F469 AromaticContact CE3-CD2 3.69Å; W263-F469 HydrophobicContact CE3-CD2 3.69Å; W263-F469 HydrophobicContact CE3-CE2 4.26Å; W263-F469 AromaticContact CG-CD2 3.83Å; W263-F469 HydrophobicContact CG-CD2 3.83Å; W263-F469 AromaticContact CG-CE2 3.7Å; W263-F469 HydrophobicContact CG-CE2 3.7Å; W263-F469 HydrophobicContact CH2-CB 4.29Å; W263-F469 HydrophobicContact CH2-CD2 4.34Å; W263-F469 HydrophobicContact CZ2-CB 4.32Å; W263-F469 HydrophobicContact CZ2-CD2 4.15Å; W263-F469 HydrophobicContact CZ3-CD2 4.11Å; W263-D470 PolarHBondContact NE1-OD1 3.4Å; W263-A471 HydrophobicContact CG-CB 4.45Å; W263-F538 HydrophobicContact CZ3-CB 4.42Å; W263-F538 HydrophobicContact CZ3-CD1 4Å; W263-Y610 HydrophobicContact CB-CD1 4.05Å; W263-Y610 HydrophobicContact CB-CE1 3.47Å; W263-Y610 VanDerWaalsContact CB-CE1 3.47Å; W263-Y610 HydrophobicContact CB-CE2 4.08Å; W263-Y610 VanDerWaalsContact CB-CZ 3.49Å
264K96.8Very high95.5Very high77 Ų7734 Ų3434%0.33516%0.164SC..G310 helixtrans-86.8-9.2175.5-62.1-64.7-172.8-168.70112.8R261 P262 T266 D470R261-K264 HydrophobicContact CB-CB 4.46Å; R261-K264 HydrophobicContact CB-CG 3.91Å; R261-K264 WeakPolarHBondContact O-CB 3.27Å; R261-K264 PolarHBondContact O-N 3.13Å; P262-K264 PolarHBondContact O-N 2.59Å; K264-T266 WeakPolarHBondContact O-CG2 3.4Å; K264-T266 PolarHBondContact O-N 2.73Å; K264-D470 VanDerWaalsContact CE-OD1 3.29Å; K264-D470 WeakPolarHBondContact CE-OD1 3.43Å; K264-D470 VanDerWaalsContact NZ-CG 3.33Å; K264-D470 IonicContact NZ-OD1 3.27Å; K264-D470 PolarHBondContact NZ-OD1 3.16Å; K264-D470 IonicContact NZ-OD2 2.85Å; K264-D470 PolarHBondContact NZ-OD2 2.94Å
265I97.6Very high95.1Very high11 Ų1137.8 Ų37.86%0.05618%0.181CC..  trans-70.6127.5178.7-59.3170.9000109.2L254 D257 L258 P262 I270 I611 A614L254-I265 HydrophobicContact CD1-CD1 4.22Å; L254-I265 HydrophobicContact CD1-CG1 4.48Å; L254-I265 HydrophobicContact CD1-CG2 4.18Å; D257-I265 HydrophobicContact CB-CG1 4.12Å; L258-I265 HydrophobicContact CB-CD1 4.04Å; L258-I265 HydrophobicContact CD1-CD1 3.86Å; P262-I265 WeakPolarHBondContact O-CB 3.42Å; P262-I265 WeakPolarHBondContact O-CG1 3.4Å; P262-I265 PolarHBondContact O-N 3.01Å; P262-I265 VanDerWaalsContact O-N 3.17Å; I265-I270 HydrophobicContact CG2-CD1 4.32Å; I265-I611 HydrophobicContact CD1-CB 4.3Å; I265-I611 HydrophobicContact CD1-CD1 4.28Å; I265-I611 HydrophobicContact CG2-CG1 4.33Å; I265-A614 HydrophobicContact CG2-CB 4.03Å
266T96.3Very high93.9Very high58 Ų5838.2 Ų38.236%0.35619%0.186SC..  trans-117.9164.1-176.169.60000112.3K264 D268 D269 I270K264-T266 WeakPolarHBondContact O-CG2 3.4Å; K264-T266 PolarHBondContact O-N 2.73Å; T266-D268 PolarHBondContact O-N 3.46Å; T266-D268 PolarHBondContact OG1-N 3.19Å; T266-D269 WeakPolarHBondContact CB-OD2 3.33Å; T266-D269 PolarHBondContact N-OD2 3.16Å; T266-D269 WeakPolarHBondContact O-CB 3.41Å; T266-D269 PolarHBondContact O-N 3.07Å; T266-D269 VanDerWaalsContact OG1-CG 3.29Å; T266-D269 PolarHBondContact OG1-N 3.06Å; T266-D269 PolarHBondContact OG1-OD2 3.29Å; T266-I270 PolarHBondContact O-N 2.99Å
267A95.9Very high92.4Very high2 Ų236 Ų362%0.01718%0.182CC..Hα-helixtrans-59.2-29.6172.600000112.9I270 Y271 Q617 C618A267-I270 PolarHBondContact O-N 2.96Å; A267-Y271 PolarHBondContact O-N 2.8Å; A267-Q617 HydrophobicContact CB-CB 3.92Å; A267-C618 HydrophobicContact CB-CB 4.1Å
268D94.2Very high90.6Very high88 Ų8843.4 Ų43.447%0.47122%0.221SC..Hα-helixtrans-71.6-34.6179.3-59.4-33.5000111.2T266 I270 Y271 N272 R621T266-D268 PolarHBondContact O-N 3.46Å; T266-D268 PolarHBondContact OG1-N 3.19Å; D268-I270 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 3.18Å; D268-Y271 PolarHBondContact O-N 3.14Å; D268-N272 WeakPolarHBondContact O-CB 3.5Å; D268-N272 PolarHBondContact O-N 3.31Å; D268-N272 PolarHBondContact O-ND2 3.11Å; D268-N272 VanDerWaalsContact O-ND2 3.08Å; D268-R621 IonicContact OD1-NH1 2.78Å; D268-R621 PolarHBondContact OD1-NH1 2.64Å; D268-R621 IonicContact OD2-NH1 2.76Å
269D93.8Very high88.7Confident61 Ų6149 Ų4933%0.32626%0.26SS..Hα-helixtrans-61.3-43.1172.3-57.3-53.3000111T266 N272 L273T266-D269 WeakPolarHBondContact CB-OD2 3.33Å; T266-D269 PolarHBondContact N-OD2 3.16Å; T266-D269 WeakPolarHBondContact O-CB 3.41Å; T266-D269 PolarHBondContact O-N 3.07Å; T266-D269 VanDerWaalsContact OG1-CG 3.29Å; T266-D269 PolarHBondContact OG1-N 3.06Å; T266-D269 PolarHBondContact OG1-OD2 3.29Å; D269-N272 PolarHBondContact O-N 3.15Å; D269-L273 WeakPolarHBondContact O-CG 3.22Å; D269-L273 PolarHBondContact O-N 3.36Å
270I95.4Very high86.9Confident0 Ų050.2 Ų50.20%027%0.267CS..Hα-helixtrans-64.5-44.7175.9-53.7-54.6000110.9I265 T266 A267 D268 N272 L273 T274 L288 L291 I611 A614 V615 C618I265-I270 HydrophobicContact CG2-CD1 4.32Å; T266-I270 PolarHBondContact O-N 2.99Å; A267-I270 PolarHBondContact O-N 2.96Å; D268-I270 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 3.18Å; I270-N272 VanDerWaalsContact C-N 3.34Å; I270-N272 PolarHBondContact O-N 2.94Å; I270-L273 PolarHBondContact O-N 3.33Å; I270-T274 HydrophobicContact CG2-CG2 4.34Å; I270-T274 WeakPolarHBondContact O-CB 3.5Å; I270-T274 WeakPolarHBondContact O-CG2 3.41Å; I270-T274 PolarHBondContact O-N 3.33Å; I270-T274 VanDerWaalsContact O-N 3.09Å; I270-T274 PolarHBondContact O-OG1 3.37Å; I270-L288 HydrophobicContact CG2-CD2 4.27Å; I270-L291 HydrophobicContact CD1-CD2 4.16Å; I270-L291 HydrophobicContact CG2-CD2 3.86Å; I270-I611 HydrophobicContact CD1-CG1 4.15Å; I270-A614 HydrophobicContact CD1-CB 4.44Å; I270-A614 HydrophobicContact CG1-CB 3.9Å; I270-V615 HydrophobicContact CD1-CG2 3.96Å; I270-V615 HydrophobicContact CG1-CG2 4.1Å; I270-V615 HydrophobicContact CG2-CG2 3.96Å; I270-C618 HydrophobicContact CB-CB 4.05Å; I270-C618 HydrophobicContact CG2-CB 3.98Å
271Y93Very high85Confident104 Ų10455.9 Ų55.941%0.40830%0.304SS..Hα-helixtrans-58.3-47.1178.2-175.6-89.1000111.1A267 D268 L273 T274 H275 N622A267-Y271 PolarHBondContact O-N 2.8Å; D268-Y271 PolarHBondContact O-N 3.14Å; Y271-L273 VanDerWaalsContact C-N 3.34Å; Y271-L273 PolarHBondContact O-N 3.16Å; Y271-T274 PolarHBondContact O-N 3.35Å; Y271-T274 VanDerWaalsContact O-N 3.12Å; Y271-T274 PolarHBondContact O-OG1 3.41Å; Y271-H275 HydrophobicContact CD1-CB 4.34Å; Y271-H275 AromaticContact CD2-CE1 3.7Å; Y271-H275 AromaticContact CD2-CG 3.99Å; Y271-H275 AromaticContact CD2-ND1 3.51Å; Y271-H275 HydrophobicContact CE1-CB 3.95Å; Y271-H275 HydrophobicContact CE2-CB 4.42Å; Y271-H275 AromaticContact CE2-CD2 3.71Å; Y271-H275 AromaticContact CE2-CE1 3.72Å; Y271-H275 AromaticContact CE2-CG 3.64Å; Y271-H275 AromaticContact CE2-ND1 3.62Å; Y271-H275 AromaticContact CE2-NE2 3.77Å; Y271-H275 AromaticContact CG-ND1 3.88Å; Y271-H275 AromaticContact CZ-CD2 3.88Å; Y271-H275 AromaticContact CZ-CG 3.68Å; Y271-H275 WeakPolarHBondContact O-CB 3.44Å; Y271-H275 PolarHBondContact O-N 2.88Å; Y271-H275 PolarHBondContact O-ND1 2.89Å; Y271-H275 VanDerWaalsContact O-ND1 3.13Å; Y271-N622 WeakPolarHBondContact CE2-OD1 3.06Å
272N90.7Very high83.4Confident81 Ų8157.9 Ų57.943%0.43332%0.319SS..Hα-helixtrans-61.4-39-179.7-72.3-31.2000113.1D268 D269 I270 T274 G276 G277D268-N272 WeakPolarHBondContact O-CB 3.5Å; D268-N272 PolarHBondContact O-N 3.31Å; D268-N272 PolarHBondContact O-ND2 3.11Å; D268-N272 VanDerWaalsContact O-ND2 3.08Å; D269-N272 PolarHBondContact O-N 3.15Å; I270-N272 VanDerWaalsContact C-N 3.34Å; I270-N272 PolarHBondContact O-N 2.94Å; N272-T274 VanDerWaalsContact C-N 3.34Å; N272-G276 PolarHBondContact O-N 3.1Å; N272-G277 PolarHBondContact O-N 3.38Å
273L92.4Very high81.9Confident15 Ų1565.9 Ų65.98%0.07935%0.354CS..Hα-helixtrans-70.5-30176.5-70.8171.7000112.8Q250 L251 L254 D269 I270 Y271 L286 L291Q250-L273 HydrophobicContact CB-CD2 4.32Å; Q250-L273 HydrophobicContact CG-CD2 3.97Å; L251-L273 HydrophobicContact CD2-CD1 4.46Å; L251-L273 HydrophobicContact CD2-CD2 4.25Å; L254-L273 HydrophobicContact CB-CD1 4.23Å; L254-L273 HydrophobicContact CD1-CD1 4.34Å; L254-L273 HydrophobicContact CD2-CD1 3.83Å; L254-L273 HydrophobicContact CG-CD1 4.37Å; D269-L273 WeakPolarHBondContact O-CG 3.22Å; D269-L273 PolarHBondContact O-N 3.36Å; I270-L273 PolarHBondContact O-N 3.33Å; Y271-L273 VanDerWaalsContact C-N 3.34Å; Y271-L273 PolarHBondContact O-N 3.16Å; L273-L286 PolarHBondContact O-N 2.94Å; L273-L291 HydrophobicContact CD1-CD1 4.15Å
274T91.9Very high81Confident21 Ų2168.6 Ų68.613%0.12937%0.367CS..Hα-helixtrans-99.4-17.4-171.953.80000114.8I270 Y271 N272 A285 L286 L288 L291I270-T274 HydrophobicContact CG2-CG2 4.34Å; I270-T274 WeakPolarHBondContact O-CB 3.5Å; I270-T274 WeakPolarHBondContact O-CG2 3.41Å; I270-T274 PolarHBondContact O-N 3.33Å; I270-T274 VanDerWaalsContact O-N 3.09Å; I270-T274 PolarHBondContact O-OG1 3.37Å; Y271-T274 PolarHBondContact O-N 3.35Å; Y271-T274 VanDerWaalsContact O-N 3.12Å; Y271-T274 PolarHBondContact O-OG1 3.41Å; N272-T274 VanDerWaalsContact C-N 3.34Å; T274-A285 WeakPolarHBondContact O-CB 3.33Å; T274-L286 VanDerWaalsContact CA-O 3.29Å; T274-L286 WeakPolarHBondContact CA-O 3.48Å; T274-L286 WeakPolarHBondContact CG2-O 3.3Å; T274-L288 HydrophobicContact CG2-CD2 3.76Å; T274-L288 HydrophobicContact CG2-CG 4.3Å; T274-L291 HydrophobicContact CG2-CD2 4.05Å
275H87.4Confident80.5Confident91 Ų9166.6 Ų66.642%0.42137%0.365SS..Hα-helixtrans-112.9-2.3179.4-62.770.1000112.7Y271 N622Y271-H275 HydrophobicContact CD1-CB 4.34Å; Y271-H275 AromaticContact CD2-CE1 3.7Å; Y271-H275 AromaticContact CD2-CG 3.99Å; Y271-H275 AromaticContact CD2-ND1 3.51Å; Y271-H275 HydrophobicContact CE1-CB 3.95Å; Y271-H275 HydrophobicContact CE2-CB 4.42Å; Y271-H275 AromaticContact CE2-CD2 3.71Å; Y271-H275 AromaticContact CE2-CE1 3.72Å; Y271-H275 AromaticContact CE2-CG 3.64Å; Y271-H275 AromaticContact CE2-ND1 3.62Å; Y271-H275 AromaticContact CE2-NE2 3.77Å; Y271-H275 AromaticContact CG-ND1 3.88Å; Y271-H275 AromaticContact CZ-CD2 3.88Å; Y271-H275 AromaticContact CZ-CG 3.68Å; Y271-H275 WeakPolarHBondContact O-CB 3.44Å; Y271-H275 PolarHBondContact O-N 2.88Å; Y271-H275 PolarHBondContact O-ND1 2.89Å; Y271-H275 VanDerWaalsContact O-ND1 3.13Å; H275-N622 PolarHBondContact CE1-ND2 3.12Å; H275-N622 PolarHBondContact NE2-ND2 3.11Å
276G72.7Confident80.3Confident12 Ų1266.2 Ų66.212%0.12436%0.363CS..THydrogen-bonded Turntrans68.686.1-176.200000110N272N272-G276 PolarHBondContact O-N 3.1Å
277G65Low80.2Confident14 Ų1466.1 Ų66.114%0.14437%0.365CS..  trans-52.1155.8-178.300000113.7N272 S279 N280N272-G277 PolarHBondContact O-N 3.38Å; G277-S279 PolarHBondContact O-N 2.99Å; G277-N280 PolarHBondContact O-N 3.33Å
278D58Low80.2Confident184 Ų18468.3 Ų68.398%0.98438%0.376SS*.THydrogen-bonded Turntrans-54.3-20.9-173.9-68.8-31.1000114.3
279S57.8Low80.3Confident117 Ų11766.2 Ų66.282%0.81837%0.368SS*.THydrogen-bonded Turntrans-88.1-4.6-179.950.20000115.5G277 P281G277-S279 PolarHBondContact O-N 2.99Å; S279-P281 VanDerWaalsContact O-CD 3.26Å; S279-P281 WeakPolarHBondContact O-CD 3.34Å
280N57.8Low80.4Confident28 Ų2864.9 Ų64.915%0.1536%0.36CS..  trans-97.3104178.9-169.5-13.8000111.3Q250 G277 L282 K283Q250-N280 PolarHBondContact OE1-ND2 3.32Å; G277-N280 PolarHBondContact O-N 3.33Å; N280-L282 PolarHBondContact O-N 3.49Å; N280-L282 VanDerWaalsContact O-N 3.09Å; N280-L282 PolarHBondContact OD1-N 3.48Å; N280-L282 VanDerWaalsContact OD1-N 3.14Å; N280-K283 PolarHBondContact O-N 2.91Å; N280-K283 VanDerWaalsContact O-N 3.13Å
281P56Low80.5Confident126 Ų12665 Ų6582%0.81836%0.361SS*.THydrogen-bonded Turntrans-64.3-17.4-176.924.4-32.7000114S279S279-P281 VanDerWaalsContact O-CD 3.26Å; S279-P281 WeakPolarHBondContact O-CD 3.34Å
282L64.8Low80.7Confident108 Ų10860.3 Ų60.357%0.56534%0.343SS*.THydrogen-bonded Turntrans-96.9-9.7-179.9-72.8155.2000113.4P246 N280 E284P246-L282 HydrophobicContact CB-CD1 3.95Å; P246-L282 HydrophobicContact CG-CD1 3.66Å; N280-L282 PolarHBondContact O-N 3.49Å; N280-L282 VanDerWaalsContact O-N 3.09Å; N280-L282 PolarHBondContact OD1-N 3.48Å; N280-L282 VanDerWaalsContact OD1-N 3.14Å; L282-E284 HydrophobicContact CB-CG 4.25Å; L282-E284 PolarHBondContact O-N 3.07Å; L282-E284 VanDerWaalsContact O-N 3.11Å
283K64.8Low81.1Confident167 Ų16756.4 Ų56.473%0.72632%0.322SS*.  trans48.532.7-177.1-63.9-171.6175.8-171.40114.8N280 A285N280-K283 PolarHBondContact O-N 2.91Å; N280-K283 VanDerWaalsContact O-N 3.13Å; K283-A285 PolarHBondContact O-N 3Å
284E78.7Confident81.3Confident75 Ų7555.7 Ų55.735%0.3532%0.318SS..  trans-76.488.3175.8-70.4-175.9164.900110.4K247 Q250 L282K247-E284 HydrophobicContact CB-CB 4.24Å; K247-E284 WeakPolarHBondContact CB-OE2 3.49Å; K247-E284 PolarHBondContact N-OE2 3.37Å; Q250-E284 PolarHBondContact NE2-O 3.25Å; L282-E284 HydrophobicContact CB-CG 4.25Å; L282-E284 PolarHBondContact O-N 3.07Å; L282-E284 VanDerWaalsContact O-N 3.11Å
285A87Confident81.6Confident36 Ų3654.9 Ų54.930%0.29831%0.313SS..PPolyproline II helixtrans-79148.9175.400000112.2T274 K283T274-A285 WeakPolarHBondContact O-CB 3.33Å; K283-A285 PolarHBondContact O-N 3Å
286L92.7Very high82.1Confident2 Ų250.5 Ų50.51%0.0129%0.293CS..PPolyproline II helixtrans-86.9137167.4-72.187.9000109.7K247 W248 Q250 L251 L273 T274 L291 V294K247-L286 HydrophobicContact CG-CD1 4.31Å; K247-L286 HydrophobicContact CG-CG 4.41Å; W248-L286 HydrophobicContact CZ3-CD2 3.96Å; W248-L286 HydrophobicContact CZ3-CG 4.4Å; Q250-L286 HydrophobicContact CG-CD1 4.39Å; L251-L286 HydrophobicContact CD2-CD1 4.4Å; L251-L286 HydrophobicContact CD2-CD2 3.95Å; L273-L286 PolarHBondContact O-N 2.94Å; T274-L286 VanDerWaalsContact CA-O 3.29Å; T274-L286 WeakPolarHBondContact CA-O 3.48Å; T274-L286 WeakPolarHBondContact CG2-O 3.3Å; L286-L291 HydrophobicContact CB-CB 4.49Å; L286-L291 HydrophobicContact CD2-CB 4.45Å; L286-L291 HydrophobicContact CD2-CD1 4.43Å; L286-V294 HydrophobicContact CD2-CG2 4.08Å
287S93.6Very high83.4Confident56 Ų5650 Ų5039%0.39229%0.287SS..PPolyproline II helixtrans-66.6157.216166.40000110.3S289 E290 L291S287-S289 PolarHBondContact O-N 3.43Å; S287-E290 PolarHBondContact N-OE2 3.05Å; S287-E290 PolarHBondContact O-N 3.37Å; S287-E290 WeakPolarHBondContact OG-CB 3.47Å; S287-E290 WeakPolarHBondContact OG-CG 3.35Å; S287-E290 PolarHBondContact OG-N 2.87Å; S287-E290 VanDerWaalsContact OG-N 3.14Å; S287-E290 PolarHBondContact OG-OE2 3.19Å; S287-E290 VanDerWaalsContact OG-OE2 3.11Å; S287-L291 WeakPolarHBondContact O-CB 3.3Å; S287-L291 PolarHBondContact O-N 3.38Å
288L95.5Very high85Confident48 Ų4849.4 Ų49.425%0.25128%0.281SS..Hα-helixtrans-61.1-32.8175.7-73171.7000112.6I270 T274 L291 M292 L492 V615 Q619I270-L288 HydrophobicContact CG2-CD2 4.27Å; T274-L288 HydrophobicContact CG2-CD2 3.76Å; T274-L288 HydrophobicContact CG2-CG 4.3Å; L288-L291 PolarHBondContact O-N 3.34Å; L288-M292 WeakPolarHBondContact O-CB 3.44Å; L288-M292 PolarHBondContact O-N 2.78Å; L288-L492 HydrophobicContact CB-CD2 3.79Å; L288-V615 HydrophobicContact CD2-CG1 4.1Å; L288-Q619 HydrophobicContact CD1-CG 3.95Å
289S96.9Very high86.9Confident44 Ų4440.8 Ų40.831%0.30824%0.235SC..Hα-helixtrans-68.5-43175.7-62.40000112.4S287 M292 H293 L492S287-S289 PolarHBondContact O-N 3.43Å; S289-M292 PolarHBondContact O-N 3.05Å; S289-H293 PolarHBondContact O-N 2.76Å; S289-H293 VanDerWaalsContact O-N 3.07Å; S289-L492 WeakPolarHBondContact CA-O 3.45Å; S289-L492 WeakPolarHBondContact CB-O 3.09Å; S289-L492 PolarHBondContact OG-O 3.36Å
290E96.6Very high88.8Confident33 Ų3335.4 Ų35.415%0.15420%0.197CC..Hα-helixtrans-63-43.3172.3-72.5172.2129.100111.3P198 L199 K247 S287 M292 H293 V294P198-E290 HydrophobicContact CB-CG 3.81Å; L199-E290 HydrophobicContact CD2-CB 4.09Å; L199-E290 HydrophobicContact CD2-CG 4.04Å; K247-E290 IonicContact NZ-OE1 3.88Å; K247-E290 PolarHBondContact NZ-OE1 2.91Å; K247-E290 IonicContact NZ-OE2 2.69Å; K247-E290 PolarHBondContact NZ-OE2 3.21Å; S287-E290 PolarHBondContact N-OE2 3.05Å; S287-E290 PolarHBondContact O-N 3.37Å; S287-E290 WeakPolarHBondContact OG-CB 3.47Å; S287-E290 WeakPolarHBondContact OG-CG 3.35Å; S287-E290 PolarHBondContact OG-N 2.87Å; S287-E290 VanDerWaalsContact OG-N 3.14Å; S287-E290 PolarHBondContact OG-OE2 3.19Å; S287-E290 VanDerWaalsContact OG-OE2 3.11Å; E290-M292 PolarHBondContact O-N 3.26Å; E290-H293 PolarHBondContact O-N 3Å; E290-V294 WeakPolarHBondContact O-CB 3.42Å; E290-V294 VanDerWaalsContact O-CG2 3.26Å; E290-V294 WeakPolarHBondContact O-CG2 3.47Å; E290-V294 PolarHBondContact O-N 3.26Å
291L96.9Very high90.8Very high2 Ų234 Ų341%0.0119%0.189CC..Hα-helixtrans-59.9-45.6177.1179.262.2000111.2L254 I270 L273 T274 L286 S287 L288 H293 V294 V295 V615L254-L291 HydrophobicContact CD2-CD1 3.78Å; I270-L291 HydrophobicContact CD1-CD2 4.16Å; I270-L291 HydrophobicContact CG2-CD2 3.86Å; L273-L291 HydrophobicContact CD1-CD1 4.15Å; T274-L291 HydrophobicContact CG2-CD2 4.05Å; L286-L291 HydrophobicContact CB-CB 4.49Å; L286-L291 HydrophobicContact CD2-CB 4.45Å; L286-L291 HydrophobicContact CD2-CD1 4.43Å; S287-L291 WeakPolarHBondContact O-CB 3.3Å; S287-L291 PolarHBondContact O-N 3.38Å; L288-L291 PolarHBondContact O-N 3.34Å; L291-H293 VanDerWaalsContact C-N 3.32Å; L291-H293 PolarHBondContact O-N 3.44Å; L291-V294 WeakPolarHBondContact O-CB 3.22Å; L291-V294 PolarHBondContact O-N 3.26Å; L291-V295 HydrophobicContact CD1-CG2 4.06Å; L291-V295 HydrophobicContact CG-CG2 4.33Å; L291-V295 WeakPolarHBondContact O-CB 3.3Å; L291-V295 WeakPolarHBondContact O-CG2 3.4Å; L291-V295 PolarHBondContact O-N 3.45Å; L291-V615 HydrophobicContact CD2-CG2 4.43Å
292M97.7Very high92.8Very high6 Ų628.2 Ų28.23%0.0315%0.151CC..Hα-helixtrans-60.4-44.1177.8-174.360.8-135.700111.6L288 S289 E290 V295 A296 A489 L492 C493 L496 L608 L612L288-M292 WeakPolarHBondContact O-CB 3.44Å; L288-M292 PolarHBondContact O-N 2.78Å; S289-M292 PolarHBondContact O-N 3.05Å; E290-M292 PolarHBondContact O-N 3.26Å; M292-V295 PolarHBondContact O-N 2.87Å; M292-A296 HydrophobicContact CE-CB 4.49Å; M292-A296 WeakPolarHBondContact O-CB 3.28Å; M292-A296 PolarHBondContact O-N 2.9Å; M292-A489 HydrophobicContact CE-CB 4.08Å; M292-A489 HydrophobicContact SD-CB 4.41Å; M292-L492 HydrophobicContact CB-CB 3.68Å; M292-L492 HydrophobicContact CB-CD1 4.2Å; M292-L492 HydrophobicContact CG-CB 3.85Å; M292-L492 HydrophobicContact CG-CD1 4.45Å; M292-C493 HydrophobicContact CB-CB 4.15Å; M292-C493 HydrophobicContact CG-CB 3.78Å; M292-L496 HydrophobicContact CE-CD2 3.6Å; M292-L496 HydrophobicContact CG-CD2 3.88Å; M292-L608 HydrophobicContact CE-CD2 4.32Å; M292-L612 HydrophobicContact CE-CD2 4.16Å; M292-L612 HydrophobicContact SD-CD2 3.49Å; M292-L612 WeakPolarHBondContact SD-CD2 3.37Å
293H98.1Very high94.4Very high0 Ų023.2 Ų23.20%013%0.125CC..Hα-helixtrans-63.4-44.2177.6-171.4-172.4000112L192 L197 L199 R204 S289 E290 L291 V295 A296 I297L192-H293 PolarHBondContact O-NE2 3.32Å; L197-H293 WeakPolarHBondContact CB-CE1 3.47Å; L197-H293 WeakPolarHBondContact CB-ND1 3.21Å; L199-H293 WeakPolarHBondContact CB-ND1 3.44Å; L199-H293 HydrophobicContact CD1-CB 4.05Å; L199-H293 HydrophobicContact CG-CB 4.2Å; L199-H293 VanDerWaalsContact CG-ND1 3.3Å; L199-H293 WeakPolarHBondContact CG-ND1 3.35Å; L199-H293 PolarHBondContact N-ND1 3.25Å; R204-H293 PolarHBondContact NE-CE1 2.77Å; S289-H293 PolarHBondContact O-N 2.76Å; S289-H293 VanDerWaalsContact O-N 3.07Å; E290-H293 PolarHBondContact O-N 3Å; L291-H293 VanDerWaalsContact C-N 3.32Å; L291-H293 PolarHBondContact O-N 3.44Å; H293-V295 PolarHBondContact O-N 3.49Å; H293-A296 WeakPolarHBondContact O-CB 3.38Å; H293-A296 PolarHBondContact O-N 3.46Å; H293-I297 WeakPolarHBondContact O-CG1 3.49Å; H293-I297 PolarHBondContact O-N 3.03Å; H293-I297 VanDerWaalsContact O-N 3.12Å
294V98Very high96Very high0 Ų015.4 Ų15.40%09%0.092CC..Hα-helixtrans-54.5-52.8172.2165.50000110.3L199 I207 W248 L251 L286 E290 L291 A296 I297 L298L199-V294 HydrophobicContact CD1-CG2 3.9Å; L199-V294 HydrophobicContact CD2-CG2 4.4Å; I207-V294 HydrophobicContact CD1-CG2 3.86Å; I207-V294 HydrophobicContact CG2-CG1 4.35Å; W248-V294 HydrophobicContact CZ3-CG2 4.12Å; L251-V294 HydrophobicContact CD1-CB 4.4Å; L251-V294 HydrophobicContact CD1-CG1 3.51Å; L251-V294 HydrophobicContact CD1-CG2 3.93Å; L251-V294 HydrophobicContact CD2-CG1 4.02Å; L251-V294 HydrophobicContact CG-CG1 4.34Å; L286-V294 HydrophobicContact CD2-CG2 4.08Å; E290-V294 WeakPolarHBondContact O-CB 3.42Å; E290-V294 VanDerWaalsContact O-CG2 3.26Å; E290-V294 WeakPolarHBondContact O-CG2 3.47Å; E290-V294 PolarHBondContact O-N 3.26Å; L291-V294 WeakPolarHBondContact O-CB 3.22Å; L291-V294 PolarHBondContact O-N 3.26Å; V294-A296 VanDerWaalsContact C-N 3.26Å; V294-A296 PolarHBondContact O-N 3.28Å; V294-I297 WeakPolarHBondContact O-CB 3.02Å; V294-I297 PolarHBondContact O-N 3.43Å; V294-I297 VanDerWaalsContact O-N 3.09Å; V294-L298 HydrophobicContact CG1-CD1 3.82Å; V294-L298 HydrophobicContact CG1-CG 4.04Å; V294-L298 WeakPolarHBondContact O-CG 3.31Å; V294-L298 PolarHBondContact O-N 2.93Å
295V98.1Very high96.9Very high3 Ų311.8 Ų11.82%0.0188%0.075CC..Hα-helixtrans-60.5-38.1-176.1165.50000111.8L254 L258 L291 M292 H293 L298 S299 L608 I611L254-V295 HydrophobicContact CD2-CG2 4.1Å; L258-V295 HydrophobicContact CD2-CG1 4.36Å; L291-V295 HydrophobicContact CD1-CG2 4.06Å; L291-V295 HydrophobicContact CG-CG2 4.33Å; L291-V295 WeakPolarHBondContact O-CB 3.3Å; L291-V295 WeakPolarHBondContact O-CG2 3.4Å; L291-V295 PolarHBondContact O-N 3.45Å; M292-V295 PolarHBondContact O-N 2.87Å; H293-V295 PolarHBondContact O-N 3.49Å; V295-L298 PolarHBondContact O-N 3.16Å; V295-S299 VanDerWaalsContact O-CB 3.32Å; V295-S299 WeakPolarHBondContact O-CB 3.38Å; V295-S299 PolarHBondContact O-N 3.44Å; V295-S299 PolarHBondContact O-OG 3.25Å; V295-L608 HydrophobicContact CG1-CD2 3.73Å; V295-I611 HydrophobicContact CB-CD1 4.2Å; V295-I611 HydrophobicContact CG1-CD1 3.83Å; V295-I611 HydrophobicContact CG1-CG1 4.36Å; V295-I611 HydrophobicContact CG1-CG2 3.57Å; V295-I611 HydrophobicContact CG2-CD1 3.27Å; V295-I611 HydrophobicContact CG2-CG1 4.22Å
296A98.4Very high97.4Very high0 Ų010.1 Ų10.10%06%0.061CC..Hα-helixtrans-63-44.5175.100000111.9L192 M292 H293 V294 S299 H300 L496L192-A296 HydrophobicContact CD2-CB 3.51Å; M292-A296 HydrophobicContact CE-CB 4.49Å; M292-A296 WeakPolarHBondContact O-CB 3.28Å; M292-A296 PolarHBondContact O-N 2.9Å; H293-A296 WeakPolarHBondContact O-CB 3.38Å; H293-A296 PolarHBondContact O-N 3.46Å; V294-A296 VanDerWaalsContact C-N 3.26Å; V294-A296 PolarHBondContact O-N 3.28Å; A296-S299 PolarHBondContact O-OG 3.02Å; A296-S299 VanDerWaalsContact O-OG 3.09Å; A296-H300 WeakPolarHBondContact O-CB 3.42Å; A296-H300 PolarHBondContact O-N 3.31Å; A296-L496 HydrophobicContact CB-CD1 3.9Å; A296-L496 HydrophobicContact CB-CD2 3.53Å; A296-L496 HydrophobicContact CB-CG 4.27Å
297I98.8Very high97.6Very high0 Ų010 Ų100%06%0.06CC..Hα-helixtrans-63.5-49.1175.1-66.4170000110.7L192 F193 L199 R204 I207 A208 H293 V294 S299 H300 V301L192-I297 HydrophobicContact CD2-CG1 4.41Å; F193-I297 HydrophobicContact CE1-CG2 4.27Å; F193-I297 HydrophobicContact CZ-CG2 4.07Å; L199-I297 HydrophobicContact CD1-CD1 4.11Å; R204-I297 HydrophobicContact CB-CD1 3.78Å; R204-I297 HydrophobicContact CG-CD1 3.99Å; I207-I297 HydrophobicContact CB-CG2 4.39Å; I207-I297 HydrophobicContact CG2-CB 4.28Å; I207-I297 HydrophobicContact CG2-CG2 3.86Å; A208-I297 HydrophobicContact CB-CG2 3.92Å; H293-I297 WeakPolarHBondContact O-CG1 3.49Å; H293-I297 PolarHBondContact O-N 3.03Å; H293-I297 VanDerWaalsContact O-N 3.12Å; V294-I297 WeakPolarHBondContact O-CB 3.02Å; V294-I297 PolarHBondContact O-N 3.43Å; V294-I297 VanDerWaalsContact O-N 3.09Å; I297-S299 PolarHBondContact O-N 2.93Å; I297-H300 PolarHBondContact O-N 3.32Å; I297-V301 HydrophobicContact CG2-CG2 4.37Å; I297-V301 VanDerWaalsContact O-CG2 3.31Å; I297-V301 WeakPolarHBondContact O-CG2 3.45Å; I297-V301 PolarHBondContact O-N 3.37Å
298L98.6Very high97.7Very high3 Ų37.3 Ų7.32%0.0164%0.042CC..Hα-helixtrans-57.3-52.8-179.4-65.2-178.5000110.9I207 A211 N255 L258 V294 V295 H300 V301 H302I207-L298 HydrophobicContact CG2-CD2 3.61Å; I207-L298 HydrophobicContact CG2-CG 4.2Å; A211-L298 HydrophobicContact CB-CD2 3.71Å; N255-L298 HydrophobicContact CB-CD1 4.12Å; N255-L298 HydrophobicContact CB-CD2 4.31Å; L258-L298 HydrophobicContact CD2-CB 3.9Å; L258-L298 HydrophobicContact CD2-CD1 4.37Å; V294-L298 HydrophobicContact CG1-CD1 3.82Å; V294-L298 HydrophobicContact CG1-CG 4.04Å; V294-L298 WeakPolarHBondContact O-CG 3.31Å; V294-L298 PolarHBondContact O-N 2.93Å; V295-L298 PolarHBondContact O-N 3.16Å; L298-H300 PolarHBondContact O-N 2.6Å; L298-V301 PolarHBondContact O-N 2.89Å; L298-H302 WeakPolarHBondContact O-CB 3.48Å; L298-H302 PolarHBondContact O-CD2 3.03Å; L298-H302 PolarHBondContact O-N 2.86Å; L298-H302 PolarHBondContact O-ND1 2.74Å
299S98.3Very high97.6Very high2 Ų25.3 Ų5.31%0.0143%0.031CC..Hα-helixtrans-63.2-40.1-179.466.40000112.4V295 A296 I297 H302 A303 Q604V295-S299 VanDerWaalsContact O-CB 3.32Å; V295-S299 WeakPolarHBondContact O-CB 3.38Å; V295-S299 PolarHBondContact O-N 3.44Å; V295-S299 PolarHBondContact O-OG 3.25Å; A296-S299 PolarHBondContact O-OG 3.02Å; A296-S299 VanDerWaalsContact O-OG 3.09Å; I297-S299 PolarHBondContact O-N 2.93Å; S299-H302 PolarHBondContact O-N 3.43Å; S299-A303 WeakPolarHBondContact O-CB 3.46Å; S299-A303 PolarHBondContact O-N 3.18Å; S299-Q604 PolarHBondContact OG-NE2 3.35Å; S299-Q604 VanDerWaalsContact OG-NE2 3.15Å
300H98.7Very high97.5Very high4 Ų43.3 Ų3.32%0.0192%0.017CC..Hα-helixtrans-61.6-45.5176178.192.8000111.5Y185 L192 A296 I297 L298 A303 L304Y185-H300 AromaticContact CE2-CE1 3.35Å; Y185-H300 WeakPolarHBondContact CE2-CE1 3.41Å; Y185-H300 AromaticContact CE2-NE2 3.75Å; Y185-H300 AromaticContact CZ-CE1 3.85Å; Y185-H300 AromaticContact CZ-NE2 3.88Å; Y185-H300 PolarHBondContact OH-NE2 2.91Å; L192-H300 HydrophobicContact CD1-CB 3.97Å; A296-H300 WeakPolarHBondContact O-CB 3.42Å; A296-H300 PolarHBondContact O-N 3.31Å; I297-H300 PolarHBondContact O-N 3.32Å; L298-H300 PolarHBondContact O-N 2.6Å; H300-A303 PolarHBondContact O-N 3.32Å; H300-L304 VanDerWaalsContact O-CB 3.3Å; H300-L304 WeakPolarHBondContact O-CB 3.41Å; H300-L304 PolarHBondContact O-N 2.76Å
301V98.7Very high97.3Very high0 Ų01.7 Ų1.70%01%0.009CC..Hα-helixtrans-70.7-35.9-179.4175.30000111.6A208 A211 A212 L220 F224 I297 L298 L304 A305A208-V301 HydrophobicContact CB-CG2 3.84Å; A211-V301 HydrophobicContact CB-CB 3.71Å; A211-V301 HydrophobicContact CB-CG1 3.67Å; A211-V301 HydrophobicContact CB-CG2 4.39Å; A212-V301 HydrophobicContact CB-CG1 3.87Å; L220-V301 HydrophobicContact CD1-CG1 4.27Å; F224-V301 HydrophobicContact CE2-CG1 4.04Å; F224-V301 HydrophobicContact CE2-CG2 3.67Å; F224-V301 HydrophobicContact CZ-CG2 3.77Å; I297-V301 HydrophobicContact CG2-CG2 4.37Å; I297-V301 VanDerWaalsContact O-CG2 3.31Å; I297-V301 WeakPolarHBondContact O-CG2 3.45Å; I297-V301 PolarHBondContact O-N 3.37Å; L298-V301 PolarHBondContact O-N 2.89Å; V301-L304 PolarHBondContact O-N 2.94Å; V301-A305 WeakPolarHBondContact O-CB 3.26Å; V301-A305 PolarHBondContact O-N 3.3Å
302H98.4Very high97Very high3 Ų31.8 Ų1.81%0.0141%0.01CC..Hα-helixtrans-61.4-47.2173.4-64.9167.5000112Q215 N255 L298 S299 A305 C306Q215-H302 HydrophobicContact CG-CB 4.43Å; Q215-H302 PolarHBondContact NE2-CD2 2.86Å; Q215-H302 VanDerWaalsContact NE2-CG 3.33Å; N255-H302 PolarHBondContact O-CE1 2.75Å; N255-H302 PolarHBondContact OD1-CE1 2.85Å; N255-H302 PolarHBondContact OD1-NE2 3.37Å; L298-H302 WeakPolarHBondContact O-CB 3.48Å; L298-H302 PolarHBondContact O-CD2 3.03Å; L298-H302 PolarHBondContact O-N 2.86Å; L298-H302 PolarHBondContact O-ND1 2.74Å; S299-H302 PolarHBondContact O-N 3.43Å; H302-A305 PolarHBondContact O-N 2.95Å; H302-C306 PolarHBondContact O-N 3.43Å; H302-C306 PolarHBondContact O-SG 3.4Å
303A98.4Very high96.7Very high3 Ų31.5 Ų1.53%0.0251%0.009CC..Hα-helixtrans-62.4-46.8175.700000111.3S299 H300 A305 C306 F307 I600 Q604S299-A303 WeakPolarHBondContact O-CB 3.46Å; S299-A303 PolarHBondContact O-N 3.18Å; H300-A303 PolarHBondContact O-N 3.32Å; A303-A305 VanDerWaalsContact C-N 3.29Å; A303-A305 PolarHBondContact O-N 3.45Å; A303-C306 WeakPolarHBondContact O-CA 3.5Å; A303-C306 WeakPolarHBondContact O-CB 3.31Å; A303-C306 PolarHBondContact O-N 3.06Å; A303-F307 PolarHBondContact O-N 3.49Å; A303-I600 HydrophobicContact CB-CB 4.15Å; A303-I600 WeakPolarHBondContact O-CG2 3.38Å; A303-Q604 HydrophobicContact CB-CB 3.98Å; A303-Q604 HydrophobicContact CB-CG 4.34Å
304L98.6Very high96.3Very high3 Ų33.4 Ų3.42%0.0162%0.016CC..Hα-helixtrans-60.7-38.4177.9-176.260.4000111.9Y171 M175 Y185 L220 H300 V301 C306 F307 I308Y171-L304 HydrophobicContact CD2-CD1 3.85Å; Y171-L304 HydrophobicContact CE2-CD1 3.82Å; Y171-L304 HydrophobicContact CE2-CD2 4.48Å; Y171-L304 HydrophobicContact CG-CD1 4.46Å; M175-L304 HydrophobicContact CE-CD1 4.02Å; Y185-L304 HydrophobicContact CE2-CD1 4.3Å; Y185-L304 WeakPolarHBondContact OH-CD2 2.92Å; L220-L304 HydrophobicContact CD1-CB 4.17Å; L220-L304 HydrophobicContact CD1-CD2 4.14Å; L220-L304 HydrophobicContact CD1-CG 3.94Å; L220-L304 HydrophobicContact CD2-CD2 3.52Å; L220-L304 HydrophobicContact CD2-CG 3.93Å; L220-L304 HydrophobicContact CG-CD2 4.5Å; H300-L304 VanDerWaalsContact O-CB 3.3Å; H300-L304 WeakPolarHBondContact O-CB 3.41Å; H300-L304 PolarHBondContact O-N 2.76Å; V301-L304 PolarHBondContact O-N 2.94Å; L304-C306 VanDerWaalsContact C-N 3.26Å; L304-C306 PolarHBondContact O-N 3.41Å; L304-F307 HydrophobicContact CD1-CB 4.45Å; L304-F307 WeakPolarHBondContact O-CA 3.33Å; L304-F307 WeakPolarHBondContact O-CB 3.3Å; L304-F307 PolarHBondContact O-N 3.37Å; L304-I308 HydrophobicContact CG-CG1 4.47Å; L304-I308 WeakPolarHBondContact O-CG1 3.38Å; L304-I308 PolarHBondContact O-N 2.93Å
305A97.6Very high95.8Very high0 Ų03.7 Ų3.70%02%0.018CC..Hα-helixtrans-58.6-40.7174.800000111.5Q215 C217 L220 V301 H302 A303 F307 I308 F309Q215-A305 HydrophobicContact CB-CB 3.53Å; Q215-A305 HydrophobicContact CG-CB 3.63Å; C217-A305 HydrophobicContact CB-CB 4.07Å; L220-A305 HydrophobicContact CD1-CB 3.95Å; V301-A305 WeakPolarHBondContact O-CB 3.26Å; V301-A305 PolarHBondContact O-N 3.3Å; H302-A305 PolarHBondContact O-N 2.95Å; A303-A305 VanDerWaalsContact C-N 3.29Å; A303-A305 PolarHBondContact O-N 3.45Å; A305-F307 VanDerWaalsContact C-N 3.28Å; A305-F307 PolarHBondContact O-N 3.3Å; A305-I308 PolarHBondContact O-N 3.35Å; A305-F309 HydrophobicContact CB-CD2 4.49Å; A305-F309 WeakPolarHBondContact O-CD2 3.49Å; A305-F309 PolarHBondContact O-N 3.33Å
306C97.2Very high95.4Very high0 Ų03.7 Ų3.70%02%0.018CC..Hα-helixtrans-58.1-42.7173.9-54.90000111.7H302 A303 L304 F309 G310 C565 P569 I600 R603H302-C306 PolarHBondContact O-N 3.43Å; H302-C306 PolarHBondContact O-SG 3.4Å; A303-C306 WeakPolarHBondContact O-CA 3.5Å; A303-C306 WeakPolarHBondContact O-CB 3.31Å; A303-C306 PolarHBondContact O-N 3.06Å; L304-C306 VanDerWaalsContact C-N 3.26Å; L304-C306 PolarHBondContact O-N 3.41Å; C306-F309 PolarHBondContact O-N 2.91Å; C306-G310 WeakPolarHBondContact O-CA 3.37Å; C306-G310 PolarHBondContact O-N 3.07Å; C306-C565 WeakPolarHBondContact CB-O 3.14Å; C306-C565 PolarHBondContact SG-O 3.39Å; C306-P569 HydrophobicContact CB-CB 4.34Å; C306-I600 HydrophobicContact CB-CG2 3.59Å; C306-R603 PolarHBondContact SG-NH1 3.17Å
307F97.6Very high94.8Very high0 Ų04.4 Ų4.40%02%0.021CC..Hα-helixtrans-63.3-45.4176.2-172.9-93.9000112V174 M175 A303 L304 A305 F309 G310 C311 I313 I593 I596 L597 I600V174-F307 HydrophobicContact CB-CE1 4.34Å; V174-F307 HydrophobicContact CB-CZ 4.23Å; V174-F307 HydrophobicContact CG1-CE1 4.39Å; V174-F307 HydrophobicContact CG1-CZ 3.91Å; M175-F307 HydrophobicContact CB-CZ 4.43Å; M175-F307 HydrophobicContact CE-CD1 3.82Å; M175-F307 HydrophobicContact CE-CD2 4.14Å; M175-F307 HydrophobicContact CE-CE1 3.92Å; M175-F307 HydrophobicContact CE-CE2 4.24Å; M175-F307 HydrophobicContact CE-CG 3.93Å; M175-F307 HydrophobicContact CE-CZ 4.13Å; M175-F307 HydrophobicContact CG-CE1 3.71Å; M175-F307 HydrophobicContact CG-CE2 4.03Å; M175-F307 HydrophobicContact CG-CZ 3.4Å; M175-F307 VanDerWaalsContact CG-CZ 3.4Å; A303-F307 PolarHBondContact O-N 3.49Å; L304-F307 HydrophobicContact CD1-CB 4.45Å; L304-F307 WeakPolarHBondContact O-CA 3.33Å; L304-F307 WeakPolarHBondContact O-CB 3.3Å; L304-F307 PolarHBondContact O-N 3.37Å; A305-F307 VanDerWaalsContact C-N 3.28Å; A305-F307 PolarHBondContact O-N 3.3Å; F307-F309 VanDerWaalsContact C-N 3.33Å; F307-F309 PolarHBondContact O-N 3.47Å; F307-G310 PolarHBondContact O-N 3.02Å; F307-C311 HydrophobicContact CE1-CB 4.43Å; F307-C311 WeakPolarHBondContact CE2-SG 3.46Å; F307-C311 VanDerWaalsContact CZ-SG 3.5Å; F307-C311 VanDerWaalsContact O-CB 3.27Å; F307-C311 WeakPolarHBondContact O-CB 3.3Å; F307-C311 PolarHBondContact O-N 3.3Å; F307-C311 PolarHBondContact O-SG 3.34Å; F307-C311 VanDerWaalsContact O-SG 3.33Å; F307-I313 HydrophobicContact CE1-CD1 4.45Å; F307-I593 HydrophobicContact CE2-CG2 4.12Å; F307-I593 HydrophobicContact CZ-CG2 4.33Å; F307-I596 HydrophobicContact CD2-CG2 3.86Å; F307-I596 HydrophobicContact CE2-CG2 4.48Å; F307-L597 HydrophobicContact CD2-CD2 3.78Å; F307-L597 HydrophobicContact CE2-CD2 3.45Å; F307-L597 VanDerWaalsContact CE2-CD2 3.45Å; F307-L597 HydrophobicContact CE2-CG 4.36Å; F307-L597 HydrophobicContact CZ-CD2 4.47Å; F307-I600 HydrophobicContact CB-CD1 3.9Å; F307-I600 HydrophobicContact CB-CG2 4.04Å; F307-I600 HydrophobicContact CD2-CD1 4Å; F307-I600 HydrophobicContact CG-CD1 4.28Å
308I95.7Very high94.2Very high0 Ų05.4 Ų5.40%03%0.027CC..Hα-helixtrans-57-47.4178.9-65.9-51.1000111.3M1 Y171 Y219 L220 L304 A305 G312 I313 Y573M1-I308 HydrophobicContact CE-CG2 3.55Å; Y171-I308 HydrophobicContact CD1-CD1 4.09Å; Y171-I308 HydrophobicContact CG-CD1 3.84Å; Y219-I308 HydrophobicContact CD1-CD1 3.81Å; Y219-I308 HydrophobicContact CD1-CG1 4.06Å; Y219-I308 HydrophobicContact CD1-CG2 4.17Å; Y219-I308 HydrophobicContact CE1-CD1 3.64Å; Y219-I308 HydrophobicContact CE1-CG1 4.38Å; Y219-I308 HydrophobicContact CG-CG2 4.24Å; L220-I308 HydrophobicContact CD1-CG1 4.12Å; L220-I308 HydrophobicContact CD2-CD1 4.41Å; L220-I308 HydrophobicContact CD2-CG1 4.07Å; L220-I308 HydrophobicContact CG-CG1 4Å; L304-I308 HydrophobicContact CG-CG1 4.47Å; L304-I308 WeakPolarHBondContact O-CG1 3.38Å; L304-I308 PolarHBondContact O-N 2.93Å; A305-I308 PolarHBondContact O-N 3.35Å; I308-G312 PolarHBondContact O-N 3.23Å; I308-I313 HydrophobicContact CD1-CB 4.21Å; I308-I313 HydrophobicContact CD1-CG1 3.96Å; I308-I313 HydrophobicContact CD1-CG2 4.23Å; I308-I313 HydrophobicContact CG2-CB 4.12Å; I308-I313 WeakPolarHBondContact O-CG1 3.31Å; I308-I313 PolarHBondContact O-N 3.19Å; I308-Y573 PolarHBondContact O-OH 3.37Å
309F93.3Very high93.2Very high6 Ų66.3 Ų6.33%0.0263%0.032CC..Hα-helixtrans-75.2-46.3-178.7-75.1-68.3000112.1C217 A305 C306 F307 C311 G312 P569 V570 Y573C217-F309 HydrophobicContact CB-CE2 3.74Å; C217-F309 HydrophobicContact CB-CZ 4.14Å; A305-F309 HydrophobicContact CB-CD2 4.49Å; A305-F309 WeakPolarHBondContact O-CD2 3.49Å; A305-F309 PolarHBondContact O-N 3.33Å; C306-F309 PolarHBondContact O-N 2.91Å; F307-F309 VanDerWaalsContact C-N 3.33Å; F307-F309 PolarHBondContact O-N 3.47Å; F309-C311 PolarHBondContact O-N 3.12Å; F309-G312 PolarHBondContact O-N 3.08Å; F309-G312 VanDerWaalsContact O-N 3.15Å; F309-P569 HydrophobicContact CB-CB 3.77Å; F309-P569 WeakPolarHBondContact CB-O 3.46Å; F309-P569 HydrophobicContact CD2-CB 3.71Å; F309-P569 HydrophobicContact CD2-CG 4.08Å; F309-P569 HydrophobicContact CG-CB 4.02Å; F309-P569 WeakPolarHBondContact CG-O 3.19Å; F309-V570 HydrophobicContact CD1-CB 4.46Å; F309-V570 HydrophobicContact CE1-CB 4.04Å; F309-V570 HydrophobicContact CE1-CG2 3.91Å; F309-V570 HydrophobicContact CE2-CB 4.12Å; F309-V570 HydrophobicContact CZ-CB 3.85Å; F309-V570 HydrophobicContact CZ-CG2 3.86Å; F309-Y573 HydrophobicContact CB-CE2 4.47Å; F309-Y573 AromaticContact CD1-CD2 3.44Å; F309-Y573 HydrophobicContact CD1-CD2 3.44Å; F309-Y573 VanDerWaalsContact CD1-CD2 3.44Å; F309-Y573 AromaticContact CD1-CE2 3.18Å; F309-Y573 HydrophobicContact CD1-CE2 3.18Å; F309-Y573 AromaticContact CE1-CD2 3.84Å; F309-Y573 HydrophobicContact CE1-CD2 3.84Å; F309-Y573 AromaticContact CE1-CE2 3.67Å; F309-Y573 HydrophobicContact CE1-CE2 3.67Å; F309-Y573 HydrophobicContact CG-CE2 4.24Å
310G93Very high91.6Very high1 Ų19.2 Ų9.21%0.014%0.043CC..Hα-helixtrans-56.5-51.9178.500000110.9C306 F307 G312 F580C306-G310 WeakPolarHBondContact O-CA 3.37Å; C306-G310 PolarHBondContact O-N 3.07Å; F307-G310 PolarHBondContact O-N 3.02Å; G310-G312 PolarHBondContact O-N 3.45Å; G310-F580 WeakPolarHBondContact O-CZ 3.27Å
311C92.7Very high89.6Confident0 Ų012.9 Ų12.90%06%0.062CC..THydrogen-bonded Turntrans-77.31.4-178.6-58.30000114.2S128 I130 V174 F307 F309 I313 I593S128-C311 WeakPolarHBondContact CB-O 3.01Å; S128-C311 PolarHBondContact OG-O 3.39Å; I130-C311 VanDerWaalsContact CD1-C 3.49Å; I130-C311 WeakPolarHBondContact CD1-O 3.17Å; V174-C311 HydrophobicContact CG1-CB 4.09Å; F307-C311 HydrophobicContact CE1-CB 4.43Å; F307-C311 WeakPolarHBondContact CE2-SG 3.46Å; F307-C311 VanDerWaalsContact CZ-SG 3.5Å; F307-C311 VanDerWaalsContact O-CB 3.27Å; F307-C311 WeakPolarHBondContact O-CB 3.3Å; F307-C311 PolarHBondContact O-N 3.3Å; F307-C311 PolarHBondContact O-SG 3.34Å; F307-C311 VanDerWaalsContact O-SG 3.33Å; F309-C311 PolarHBondContact O-N 3.12Å; C311-I313 VanDerWaalsContact C-N 3.32Å; C311-I313 HydrophobicContact CB-CD1 3.66Å; C311-I313 HydrophobicContact CB-CG1 4.01Å; C311-I313 PolarHBondContact O-N 2.98Å; C311-I593 HydrophobicContact CB-CD1 4.28Å
312G90.5Very high87.2Confident3 Ų314.4 Ų14.43%0.0318%0.078CC..THydrogen-bonded Turntrans64.332.4-179.900000114S128 F129 I308 F309 G310 R314 Y573S128-G312 CarbonylContact C-O 3.55Å; S128-G312 WeakPolarHBondContact CA-O 3.42Å; S128-G312 PolarHBondContact OG-O 2.93Å; F129-G312 WeakPolarHBondContact CD2-O 3.32Å; F129-G312 PolarHBondContact N-O 2.9Å; I308-G312 PolarHBondContact O-N 3.23Å; F309-G312 PolarHBondContact O-N 3.08Å; F309-G312 VanDerWaalsContact O-N 3.15Å; G310-G312 PolarHBondContact O-N 3.45Å; G312-R314 PolarHBondContact O-N 3.08Å; G312-Y573 WeakPolarHBondContact CA-OH 3.42Å
313I91.9Very high84.9Confident0 Ų014.8 Ų14.80%08%0.08CC..BIsolated β-bridgetrans-58.7130.2-170.9-58.1-56.7000111.5M1 N170 V174 Y219 F307 I308 C311 Y573M1-I313 WeakPolarHBondContact CE-O 3.38Å; N170-I313 HydrophobicContact CB-CG2 3.75Å; V174-I313 HydrophobicContact CB-CD1 3.92Å; V174-I313 HydrophobicContact CG1-CD1 4.43Å; V174-I313 HydrophobicContact CG2-CD1 3.45Å; V174-I313 VanDerWaalsContact CG2-CD1 3.45Å; Y219-I313 HydrophobicContact CD2-CG2 4.44Å; Y219-I313 HydrophobicContact CE2-CG2 3.91Å; F307-I313 HydrophobicContact CE1-CD1 4.45Å; I308-I313 HydrophobicContact CD1-CB 4.21Å; I308-I313 HydrophobicContact CD1-CG1 3.96Å; I308-I313 HydrophobicContact CD1-CG2 4.23Å; I308-I313 HydrophobicContact CG2-CB 4.12Å; I308-I313 WeakPolarHBondContact O-CG1 3.31Å; I308-I313 PolarHBondContact O-N 3.19Å; C311-I313 VanDerWaalsContact C-N 3.32Å; C311-I313 HydrophobicContact CB-CD1 3.66Å; C311-I313 HydrophobicContact CB-CG1 4.01Å; C311-I313 PolarHBondContact O-N 2.98Å; I313-Y573 PolarHBondContact N-OH 3.39Å; I313-Y573 PolarHBondContact O-OH 2.81Å
314R89.1Confident82.3Confident40 Ų4015.5 Ų15.515%0.1518%0.084CC..PPolyproline II helixtrans-76.9146.7177.2-83165.2178.3-97.78.6111.3S126 P127 S128 F129 N170 Y219 G312S126-R314 WeakPolarHBondContact O-CD 3.46Å; P127-R314 PolarHBondContact O-N 3.39Å; S128-R314 VanDerWaalsContact C-CD 3.46Å; S128-R314 VanDerWaalsContact C-NE 3.32Å; S128-R314 VanDerWaalsContact O-CD 3.32Å; S128-R314 WeakPolarHBondContact O-CD 3.36Å; S128-R314 PolarHBondContact O-NE 3.46Å; F129-R314 HydrophobicContact CD1-CG 3.76Å; F129-R314 VanDerWaalsContact CD1-CZ 3.49Å; F129-R314 HydrophobicContact CD2-CB 4.49Å; F129-R314 HydrophobicContact CD2-CG 3.57Å; F129-R314 HydrophobicContact CE1-CG 3.7Å; F129-R314 HydrophobicContact CE2-CB 4.19Å; F129-R314 HydrophobicContact CE2-CG 3.51Å; F129-R314 HydrophobicContact CG-CG 3.69Å; F129-R314 HydrophobicContact CZ-CB 4.39Å; F129-R314 HydrophobicContact CZ-CG 3.57Å; N170-R314 PolarHBondContact ND2-O 3.25Å; Y219-R314 WeakPolarHBondContact CE2-O 3.44Å; G312-R314 PolarHBondContact O-N 3.08Å
315P88.3Confident79.5Confident6 Ų619 Ų194%0.03910%0.103CC..PPolyproline II helixtrans-51147.5164.6-2433.2000111.8M1 I4 N170M1-P315 HydrophobicContact CG-CG 4.44Å; M1-P315 HydrophobicContact SD-CG 3.8Å; I4-P315 HydrophobicContact CG2-CG 4.15Å; N170-P315 PolarHBondContact ND2-O 3.14Å
316E88.9Confident76.4Confident4 Ų423.9 Ų23.92%0.01913%0.128CC..PPolyproline II helixtrans-66151.7173.7-52.9-76.8128.900110.5R167 N170 Y219 D318 N319R167-E316 IonicContact CZ-OE2 2.87Å; R167-E316 IonicContact NE-OE2 2.81Å; R167-E316 IonicContact NH2-OE2 3.02Å; R167-E316 PolarHBondContact NH2-OE2 3.14Å; N170-E316 WeakPolarHBondContact CB-OE1 3.34Å; N170-E316 PolarHBondContact N-OE1 2.86Å; Y219-E316 HydrophobicContact CE2-CG 3.85Å; Y219-E316 WeakPolarHBondContact CE2-OE1 3.28Å; Y219-E316 PolarHBondContact OH-OE1 3.07Å; E316-D318 WeakPolarHBondContact CB-OD1 3.31Å; E316-D318 PolarHBondContact O-N 2.71Å; E316-N319 HydrophobicContact CB-CB 4.39Å; E316-N319 PolarHBondContact O-N 3.11Å
317I86.8Confident73.4Confident14 Ų1429.9 Ų29.97%0.07216%0.16CC..G310 helixtrans-55.2-41.8-178.9-63.5165.6000111L89 R90 H93 T94 T122 N319 I324L89-I317 HydrophobicContact CB-CG2 4.21Å; R90-I317 HydrophobicContact CB-CB 4.24Å; H93-I317 HydrophobicContact CB-CD1 3.79Å; T94-I317 HydrophobicContact CG2-CD1 4.39Å; T122-I317 HydrophobicContact CG2-CD1 4.39Å; T122-I317 HydrophobicContact CG2-CG2 3.92Å; I317-N319 PolarHBondContact O-N 3.37Å; I317-I324 HydrophobicContact CG2-CD1 4.16Å; I317-I324 HydrophobicContact CG2-CG1 4.4Å; I317-I324 VanDerWaalsContact O-CD1 3.24Å; I317-I324 WeakPolarHBondContact O-CD1 3.34Å
318D86.1Confident70.2Confident21 Ų2135 Ų3511%0.11219%0.191CC..G310 helixtrans-71.8-8.9-179.460.5-35.5000114.3P86 R90 R167 R226 E316P86-D318 HydrophobicContact CB-CB 4.06Å; R90-D318 HydrophobicContact CB-CB 4.39Å; R167-D318 IonicContact CZ-OD1 3.12Å; R167-D318 IonicContact CZ-OD2 3.16Å; R167-D318 IonicContact NH1-OD1 2.69Å; R167-D318 IonicContact NH1-OD2 2.64Å; R167-D318 PolarHBondContact NH1-OD2 2.89Å; R167-D318 IonicContact NH2-OD1 2.75Å; R167-D318 PolarHBondContact NH2-OD1 3.11Å; R167-D318 IonicContact NH2-OD2 2.67Å; R167-D318 PolarHBondContact NH2-OD2 3.09Å; R226-D318 IonicContact NH1-OD2 3.53Å; R226-D318 PolarHBondContact NH1-OD2 3.13Å; E316-D318 WeakPolarHBondContact CB-OD1 3.31Å; E316-D318 PolarHBondContact O-N 2.71Å
319N78Confident66.9Low22 Ų2242.2 Ų42.212%0.11823%0.23CC..G310 helixtrans-107-0.8-176.2-72.9-26.4000113.6C9 L222 E316 I317C9-N319 PolarHBondContact SG-O 3.09Å; L222-N319 HydrophobicContact CD1-CB 4.29Å; E316-N319 HydrophobicContact CB-CB 4.39Å; E316-N319 PolarHBondContact O-N 3.11Å; I317-N319 PolarHBondContact O-N 3.37Å
320Y64.7Low63.8Low64 Ų6448.2 Ų48.225%0.25126%0.262SS..  trans-147.5113-174.1177.9-123.9000114.6I4 G322 L323I4-Y320 HydrophobicContact CB-CE2 4.14Å; I4-Y320 HydrophobicContact CG2-CD1 3.86Å; I4-Y320 HydrophobicContact CG2-CD2 3.48Å; I4-Y320 VanDerWaalsContact CG2-CD2 3.48Å; I4-Y320 HydrophobicContact CG2-CE1 3.68Å; I4-Y320 HydrophobicContact CG2-CE2 3.28Å; I4-Y320 HydrophobicContact CG2-CG 3.78Å; I4-Y320 WeakPolarHBondContact O-CD2 3.41Å; I4-Y320 WeakPolarHBondContact O-CE2 3.4Å; Y320-G322 VanDerWaalsContact C-N 3.28Å; Y320-G322 PolarHBondContact O-N 3.44Å; Y320-L323 HydrophobicContact CD1-CB 3.72Å; Y320-L323 HydrophobicContact CD1-CD1 3.71Å; Y320-L323 HydrophobicContact CD1-CG 3.49Å; Y320-L323 VanDerWaalsContact CD1-CG 3.49Å; Y320-L323 HydrophobicContact CE1-CB 4.34Å; Y320-L323 HydrophobicContact CE1-CG 4.02Å; Y320-L323 PolarHBondContact O-N 3Å
321D56.1Low60.5Low80 Ų8052.9 Ų52.943%0.42829%0.293SS..G310 helixtrans-62.9-27.7177.3-69.1-16.2000113.8H8 L323 I324H8-D321 VanDerWaalsContact CB-OD2 3.23Å; H8-D321 WeakPolarHBondContact CB-OD2 3.45Å; H8-D321 IonicContact CD2-OD2 3.66Å; H8-D321 PolarHBondContact CD2-OD2 3.49Å; H8-D321 IonicContact CG-OD2 3.14Å; H8-D321 IonicContact ND1-OD2 3.27Å; D321-L323 PolarHBondContact O-N 2.97Å; D321-I324 CarbonylContact O-C 3.54Å; D321-I324 VanDerWaalsContact O-C 3.29Å; D321-I324 WeakPolarHBondContact O-CA 3.28Å; D321-I324 VanDerWaalsContact O-CB 3.32Å; D321-I324 WeakPolarHBondContact O-CB 3.49Å; D321-I324 PolarHBondContact O-N 3.46Å
322G49.2Very low57.2Low32 Ų3260.2 Ų60.233%0.3333%0.332SS..G310 helixtrans-78-6.8178.800000114.4Y320Y320-G322 VanDerWaalsContact C-N 3.28Å; Y320-G322 PolarHBondContact O-N 3.44Å
323L50.5Low54Low11 Ų1168.8 Ų68.86%0.05837%0.372CS..G310 helixtrans-82.8-6.2164.8-89.6160.8000111.1T122 V123 T124 Y320 D321T122-L323 CarbonylContact C-O 3.59Å; T122-L323 VanDerWaalsContact CA-O 3.24Å; T122-L323 WeakPolarHBondContact CA-O 3.47Å; V123-L323 PolarHBondContact N-O 3.07Å; T124-L323 HydrophobicContact CG2-CD2 3.4Å; T124-L323 WeakPolarHBondContact O-CD2 3.29Å; Y320-L323 HydrophobicContact CD1-CB 3.72Å; Y320-L323 HydrophobicContact CD1-CD1 3.71Å; Y320-L323 HydrophobicContact CD1-CG 3.49Å; Y320-L323 VanDerWaalsContact CD1-CG 3.49Å; Y320-L323 HydrophobicContact CE1-CB 4.34Å; Y320-L323 HydrophobicContact CE1-CG 4.02Å; Y320-L323 PolarHBondContact O-N 3Å; D321-L323 PolarHBondContact O-N 2.97Å
324I42.2Very low50.7Low19 Ų1973.1 Ų73.110%0.09740%0.402CS..EExtended strand (participates in β ladder)trans-127.377.6-162.3-76.4179.3000105.6P86 P120 N121 I317 D321 L326P86-I324 HydrophobicContact CB-CD1 4.35Å; P120-I324 HydrophobicContact CB-CB 3.89Å; P120-I324 HydrophobicContact CB-CG2 3.04Å; P120-I324 HydrophobicContact CG-CB 4.48Å; P120-I324 HydrophobicContact CG-CG2 3.2Å; N121-I324 WeakPolarHBondContact O-CA 3.48Å; I317-I324 HydrophobicContact CG2-CD1 4.16Å; I317-I324 HydrophobicContact CG2-CG1 4.4Å; I317-I324 VanDerWaalsContact O-CD1 3.24Å; I317-I324 WeakPolarHBondContact O-CD1 3.34Å; D321-I324 CarbonylContact O-C 3.54Å; D321-I324 VanDerWaalsContact O-C 3.29Å; D321-I324 WeakPolarHBondContact O-CA 3.28Å; D321-I324 VanDerWaalsContact O-CB 3.32Å; D321-I324 WeakPolarHBondContact O-CB 3.49Å; D321-I324 PolarHBondContact O-N 3.46Å; I324-L326 PolarHBondContact O-N 3.11Å
325N40.1Very low47.6Very low77 Ų7782 Ų8241%0.41244%0.437SS..EExtended strand (participates in β ladder)trans-78.3115.8-179.7-94.3-16.6000109.9N121 V123 N327N121-N325 PolarHBondContact N-O 2.77Å; N121-N325 PolarHBondContact O-N 2.69Å; N121-N325 VanDerWaalsContact O-N 3.09Å; V123-N325 HydrophobicContact CG2-CB 4.24Å; N325-N327 PolarHBondContact O-N 3.21Å
326L32.9Very low44.5Very low102 Ų10288.5 Ų88.553%0.53447%0.47SS..  trans-7774163.1-72.6167000108.6K118 P120 I324 V328K118-L326 HydrophobicContact CB-CD2 3.72Å; K118-L326 HydrophobicContact CD-CD2 4.32Å; P120-L326 HydrophobicContact CB-CD2 4.37Å; P120-L326 HydrophobicContact CG-CD2 3.82Å; P120-L326 HydrophobicContact CG-CG 4.19Å; I324-L326 PolarHBondContact O-N 3.11Å; L326-V328 PolarHBondContact O-N 3.04Å; L326-V328 VanDerWaalsContact O-N 3.13Å
327N34.3Very low41.5Very low126 Ų12698.9 Ų98.967%0.67451%0.511SS*.  trans-67.2115.6170.2-90.4-2.5000109.1N325N325-N327 PolarHBondContact O-N 3.21Å
328V30.3Very low38.6Very low108 Ų108104.3 Ų104.366%0.65554%0.54SS*.  trans-83.4108.7177173.70000108.3L326 N330L326-V328 PolarHBondContact O-N 3.04Å; L326-V328 VanDerWaalsContact O-N 3.13Å; V328-N330 PolarHBondContact O-N 3.39Å
329D26.5Very low35.7Very low151 Ų151111.4 Ų111.481%0.80758%0.578SS**  trans-81.291.6159.4-71.1-35.9000108.9
330N27.3Very low33.4Very low131 Ų131118.8 Ų118.870%0.70161%0.612SS**  trans167.8116.9137-90.6-25.3000112.1V328V328-N330 PolarHBondContact O-N 3.39Å
331C23.7Very low31.5Very low99 Ų99122 Ų12267%0.66964%0.639SS**  trans51.4101.5130.4-43.10000119.1
332N23.6Very low30.2Very low154 Ų154124.2 Ų124.282%0.82466%0.66SS**  175.2143.4100.2-89.7-14.5000112.4S334N332-S334 PolarHBondContact O-N 3.26Å
333E23.4Very low29.1Very low183 Ų183131 Ų13186%0.85569%0.688SS**  trans-33.9127.3164.6-61170.9135.600113.3
334S22.9Very low27.9Very low92 Ų92133.6 Ų133.664%0.64372%0.718SS**  164.391.712759.10000111.3N332N332-S334 PolarHBondContact O-N 3.26Å
335Y24.7Very low27.1Very low226 Ų226138 Ų13889%0.88675%0.751SS**  trans-14671.1135.4-74.5-65.3000107.8Y337Y335-Y337 PolarHBondContact O-N 3.47Å
336I22.9Very low26.4Very low143 Ų143139.7 Ų139.773%0.73377%0.769SS**  trans-67.6108.3159.7-65.8172.8000106.3N338I336-N338 WeakPolarHBondContact CG2-OD1 3.25Å
337Y26.3Very low26.1Very low221 Ų221143 Ų14387%0.86778%0.781SS**  trans-93.6110.2154.5-102.1-82.4000107.9Y335 N339Y335-Y337 PolarHBondContact O-N 3.47Å; Y337-N339 PolarHBondContact O-N 2.99Å
338N25.6Very low25.6Very low128 Ų128143.1 Ų143.168%0.68478%0.782SS**  trans-58.7124.3180-76-34.8000112I336I336-N338 WeakPolarHBondContact CG2-OD1 3.25Å
339N24.6Very low25.6Very low170 Ų170145.4 Ų145.491%0.90979%0.79SS**  trans-89.4101.2153.2-91.5-16.9000108.3Y337Y337-N339 PolarHBondContact O-N 2.99Å
340Q29.1Very low25.5Very low177 Ų177145.9 Ų145.983%0.82779%0.792SS**  trans-122.4118156.1-76.6-171.911.500109.5
341T24.7Very low25.5Very low133 Ų133149 Ų14982%0.81680%0.802SS**  trans-40.3131163.644.10000113.9
342S30.1Very low25.5Very low125 Ų125147.9 Ų147.987%0.87481%0.807SS**  trans-165.5136.4139.5-80.70000111.6
343N24.6Very low25.6Very low174 Ų174145.6 Ų145.693%0.9380%0.804SS**  trans-59.4149.8-175.8-70.5-36.6000114.8
344G27Very low25.8Very low66 Ų66145.3 Ų145.368%0.6880%0.802SS**  trans162.583.9159.300000116.3
345S25.1Very low25.9Very low112 Ų112148 Ų14878%0.78381%0.809SS**  trans40.5119.6141.553.40000122.1
346S25Very low26Very low113 Ų113140.6 Ų140.679%0.7980%0.802SS**  trans80.4120.5131.2-63.60000122.1
347Q25.7Very low26.1Very low170 Ų170139.5 Ų139.579%0.79481%0.807SS**  trans89.6118.4141.7-74.8-178.3-1100121
348N25.6Very low26Very low129 Ų129135.6 Ų135.669%0.6981%0.807SS**  trans77101.1144-58.8-10.3000118.6
349N28.7Very low26Very low156 Ų156133.5 Ų133.583%0.83480%0.801SS**  175.6137.996.2-88.5-30000112.3
350L24.5Very low25.9Very low162 Ų162131 Ų13185%0.84880%0.796SS**  trans-53.2131.5166.2-9066000110.8
351H27.7Very low25.6Very low195 Ų195125.9 Ų125.990%0.90378%0.779SS**  trans-162.7131.4132.2-107.5-71000110.2
352G24.5Very low25.4Very low76 Ų76128.2 Ų128.278%0.78479%0.786SS**  trans-65.5141.8-173.700000113.7
353S25.7Very low25.2Very low106 Ų106126 Ų12674%0.74177%0.767SS**  trans-85.4115.1171.9176.60000109
354E26.3Very low25.1Very low178 Ų178126.6 Ų126.683%0.83276%0.764SS**  trans-83.5118.1162.2-74.9-176.1159.300108.4G356E354-G356 PolarHBondContact O-N 3.22Å
355N26.1Very low25Very low147 Ų147128 Ų12879%0.78676%0.761SS**  trans-70.9112.2174.4-75.5-25.5000110.1S357N355-S357 PolarHBondContact O-N 2.92Å
356G25.6Very low25.3Very low71 Ų71127.5 Ų127.573%0.73274%0.743SS**  trans-78.6102.5165.900000110.5E354 T358E354-G356 PolarHBondContact O-N 3.22Å; G356-T358 PolarHBondContact O-N 3.02Å
357S26.4Very low25.4Very low121 Ų121129 Ų12985%0.84674%0.742SS**  trans-63.5112.2171-67.60000110.9N355 C359N355-S357 PolarHBondContact O-N 2.92Å; S357-C359 PolarHBondContact O-N 3.42Å
358T23.8Very low25.6Very low139 Ų139125 Ų12585%0.85373%0.726SS**  trans-71.4116.4167.1-45.70000108.8G356 S360G356-T358 PolarHBondContact O-N 3.02Å; T358-S360 PolarHBondContact O-N 3.29Å
359C25.6Very low25.6Very low83 Ų83127 Ų12756%0.56173%0.73SS**  trans-76.6110.6177.5-164.30000109.2S357 C361S357-C359 PolarHBondContact O-N 3.42Å; C359-C361 PolarHBondContact O-N 3.05Å; C359-C361 VanDerWaalsContact SG-SG 3.61Å
360S21.2Very low25.5Very low117 Ų117127.7 Ų127.782%0.81873%0.733SS**  trans-83.397.317063.20000109.2T358T358-S360 PolarHBondContact O-N 3.29Å
361C23.5Very low25.5Very low70 Ų70124.9 Ų124.947%0.47373%0.726SS.*  trans-102.7122.9161.4-52.50000106.9C359 V363C359-C361 PolarHBondContact O-N 3.05Å; C359-C361 VanDerWaalsContact SG-SG 3.61Å; C361-V363 PolarHBondContact O-N 3.35Å; C361-V363 VanDerWaalsContact O-N 3.15Å
362L21.2Very low25.3Very low183 Ų183124 Ų12496%0.95872%0.722SS**  trans-58.2115.5172.4-75.7156000108.5
363V25.2Very low25.3Very low79 Ų79128.4 Ų128.448%0.47973%0.728SS.*PPolyproline II helixtrans-83.9117168.9177.20000105.4C361 P365C361-V363 PolarHBondContact O-N 3.35Å; C361-V363 VanDerWaalsContact O-N 3.15Å; V363-P365 VanDerWaalsContact O-CD 3.25Å; V363-P365 WeakPolarHBondContact O-CD 3.32Å
364E22.2Very low25.2Very low185 Ų185126.6 Ų126.686%0.86473%0.726SS**PPolyproline II helixtrans-69.8117.4159.9-76.6-162.1161.600107.6
365P25.8Very low25.1Very low95 Ų95125.7 Ų125.762%0.61773%0.727SS**PPolyproline II helixtrans-62.3145.1175.3-17.531.7000110.2V363 D367V363-P365 VanDerWaalsContact O-CD 3.25Å; V363-P365 WeakPolarHBondContact O-CD 3.32Å; P365-D367 PolarHBondContact O-N 3.07Å
366W30.4Very low25.2Very low103 Ų103126.4 Ų126.439%0.3973%0.731SS.*  trans-61102.2162.2-111.8-4.5000108.9L89 L92 K112 I119L89-W366 HydrophobicContact CD2-CH2 4.26Å; L92-W366 HydrophobicContact CD2-CZ2 3.78Å; K112-W366 HydrophobicContact CD-CZ3 4.46Å; I119-W366 HydrophobicContact CB-CH2 4.36Å; I119-W366 HydrophobicContact CB-CZ3 3.97Å; I119-W366 HydrophobicContact CG2-CH2 3.58Å; I119-W366 HydrophobicContact CG2-CZ3 3.6Å
367D28.2Very low25.2Very low144 Ų144130.5 Ų130.577%0.7774%0.736SS**  trans-121.1135168.9-97.5-28.1000112.3P365 H369P365-D367 PolarHBondContact O-N 3.07Å; D367-H369 PolarHBondContact O-N 3.11Å
368D28.5Very low25.1Very low87 Ų87132.5 Ų132.547%0.46573%0.732SS.*  trans-102.857.5-164.7-158.411000109.8R109R109-D368 IonicContact CZ-OD1 3.17Å; R109-D368 IonicContact CZ-OD2 3.9Å; R109-D368 IonicContact NE-OD2 3.64Å; R109-D368 IonicContact NH1-OD1 2.66Å; R109-D368 PolarHBondContact NH1-OD1 2.79Å; R109-D368 IonicContact NH1-OD2 3.43Å; R109-D368 IonicContact NH2-OD1 3.08Å; R109-D368 PolarHBondContact NH2-OD1 3.05Å; R109-D368 IonicContact NH2-OD2 2.74Å; R109-D368 PolarHBondContact NH2-OD2 2.73Å
369H27.3Very low25.2Very low169 Ų169134.8 Ų134.878%0.78273%0.733SS**  trans-133.8102176.4-78.5-58.6000112.6D367 S371D367-H369 PolarHBondContact O-N 3.11Å; H369-S371 PolarHBondContact O-N 3.33Å
370I25Very low25.2Very low172 Ų172137.4 Ų137.488%0.88274%0.741SS**  trans-63.1106.3153.5-61.7170.6000106.5
371S26.3Very low25.5Very low102 Ų102136.9 Ų136.971%0.71374%0.737SS**  trans-130.6115.8160.6-1740000109.1H369H369-S371 PolarHBondContact O-N 3.33Å
372E23.4Very low25.7Very low176 Ų176144.5 Ų144.582%0.82276%0.756SS**  trans-60.8146.9161.3-67.5175.2145.700109.8
373N23.8Very low26.1Very low169 Ų169142.6 Ų142.690%0.90475%0.747SS**  trans72.2122.7173.7-78.5-21000119.8
374G24.4Very low26.4Very low68 Ų68146.6 Ų146.670%0.70177%0.766SS**  trans142.395.4140.100000116.7
375N24.1Very low27.2Very low159 Ų159145.9 Ų145.985%0.8576%0.762SS**  trans32101.2148.9-74.8-7.6000119
376N26.6Very low28Very low162 Ų162145.7 Ų145.787%0.86676%0.761SS**  trans-98.3108.4157-80.3-16.3000110.5
377N25.4Very low28.9Very low157 Ų157144.5 Ų144.584%0.8477%0.769SS**  trans-69.5129.9163.2-84.6-30.9000109.5Q379N377-Q379 PolarHBondContact O-N 3.32Å
378H26.1Very low30.6Very low163 Ų163142.3 Ų142.376%0.75576%0.757SS**  trans-47.8124.2166.1-74.6-87.2000112.4
379Q25.7Very low32.4Very low187 Ų187143.4 Ų143.487%0.87477%0.767SS**  trans-126.587.3144.1-90.1-175.4-19.200107.8N377 S381N377-Q379 PolarHBondContact O-N 3.32Å; Q379-S381 PolarHBondContact O-N 2.94Å
380D24.9Very low34.8Very low139 Ų139138.1 Ų138.174%0.74374%0.744SS**  trans-55.7101.7163.3-83-30000108.5R382D380-R382 VanDerWaalsContact C-N 3.3Å; D380-R382 PolarHBondContact O-N 3.19Å
381S27.5Very low37.4Very low105 Ų105130.9 Ų130.973%0.73471%0.712SS**  trans-70.397.8157.5-680000106.4Q379 N383Q379-S381 PolarHBondContact O-N 2.94Å; S381-N383 PolarHBondContact O-N 3.19Å
382R26.9Very low40.2Very low231 Ų231130 Ų13087%0.87270%0.695SS**  trans-55.691.1168.1-74.4178172169.9-3.4108.7D380D380-R382 VanDerWaalsContact C-N 3.3Å; D380-R382 PolarHBondContact O-N 3.19Å
383N29.6Very low43.4Very low143 Ų143127.1 Ų127.177%0.76569%0.685SS**  trans-70.2124.7151-71.4-30.1000105.4S381 E385S381-N383 PolarHBondContact O-N 3.19Å; N383-E385 PolarHBondContact O-N 3.33Å
384D33.3Very low46.7Very low162 Ų162124 Ų12487%0.86666%0.66SS**  trans-59.985.5172-73.3-44.9000108.6
385E37.5Very low50Low170 Ų170120.8 Ų120.879%0.79463%0.627SS**PPolyproline II helixtrans-59.3130158.6-90.2-164.3150.100106.8N383 S387N383-E385 PolarHBondContact O-N 3.33Å; E385-S387 PolarHBondContact O-N 3.35Å
386P44.1Very low53.4Low92 Ų92115.9 Ų115.960%0.59761%0.605SS**PPolyproline II helixtrans-55.4119.3168.924-29.5000106.5D388P386-D388 PolarHBondContact O-N 3.35Å
387S49.5Very low56.7Low78 Ų78114.8 Ų114.855%0.54559%0.593SS.*PPolyproline II helixtrans-48.3121.8-173.563.60000109.3E385 V389 D390E385-S387 PolarHBondContact O-N 3.35Å; S387-V389 CarbonylContact O-C 3.29Å; S387-V389 PolarHBondContact O-N 3.42Å; S387-D390 PolarHBondContact O-N 3.18Å
388D62.3Low60Low97 Ų97108.1 Ų108.152%0.51956%0.557SS.*Hα-helixtrans-39.8-27.1-179.817542.4000113.8P386 D390 G391 K392P386-D388 PolarHBondContact O-N 3.35Å; D388-D390 PolarHBondContact O-N 2.94Å; D388-G391 PolarHBondContact O-N 2.94Å; D388-K392 PolarHBondContact O-N 3.42Å; D388-K392 VanDerWaalsContact OD1-CE 3.31Å; D388-K392 WeakPolarHBondContact OD1-CE 3.37Å; D388-K392 IonicContact OD1-NZ 3.73Å; D388-K392 WeakPolarHBondContact OD2-CE 3.32Å; D388-K392 IonicContact OD2-NZ 3.82Å; D388-K392 PolarHBondContact OD2-NZ 2.93Å
389V66.7Low63.3Low111 Ų111101.4 Ų101.467%0.67353%0.527SS*.Hα-helixtrans-53.8-44.2171.4-171.20000114.1S387 L393S387-V389 CarbonylContact O-C 3.29Å; S387-V389 PolarHBondContact O-N 3.42Å; V389-L393 WeakPolarHBondContact O-CB 3.41Å; V389-L393 PolarHBondContact O-N 3.3Å
390D78.5Confident66.7Low57 Ų5798.4 Ų98.431%0.30551%0.513SS..Hα-helixtrans-71.8-41.7-177.6-174.938.8000111.2S387 D388 K392 L393 R394S387-D390 PolarHBondContact O-N 3.18Å; D388-D390 PolarHBondContact O-N 2.94Å; D390-K392 PolarHBondContact O-N 3Å; D390-L393 PolarHBondContact O-N 3.29Å; D390-R394 VanDerWaalsContact O-CG 3.31Å; D390-R394 WeakPolarHBondContact O-CG 3.29Å; D390-R394 PolarHBondContact O-N 2.89Å; D390-R394 IonicContact OD1-CZ 3.14Å; D390-R394 IonicContact OD1-NE 2.85Å; D390-R394 PolarHBondContact OD1-NE 3.36Å; D390-R394 IonicContact OD1-NH2 3.91Å; D390-R394 IonicContact OD2-CZ 3.77Å; D390-R394 IonicContact OD2-NE 3.78Å; D390-R394 PolarHBondContact OD2-NE 2.95Å; D390-R394 VanDerWaalsContact OD2-NE 3.17Å; D390-R394 IonicContact OD2-NH2 2.76Å; D390-R394 PolarHBondContact OD2-NH2 3.5Å
391G79.9Confident70.1Confident20 Ų2094.6 Ų94.621%0.20649%0.492CS..Hα-helixtrans-60-45.2174.600000112.3D388 R394 A395 N516D388-G391 PolarHBondContact O-N 2.94Å; G391-R394 PolarHBondContact O-N 3.16Å; G391-A395 WeakPolarHBondContact O-CB 3.41Å; G391-A395 PolarHBondContact O-N 3.37Å; G391-N516 PolarHBondContact O-ND2 3.08Å
392K84.4Confident73.4Confident84 Ų8489.8 Ų89.837%0.36546%0.458SS..Hα-helixtrans-66-35.2176.1-77.3175.1177.7162.90113.2D388 D390 A395 S396D388-K392 PolarHBondContact O-N 3.42Å; D388-K392 VanDerWaalsContact OD1-CE 3.31Å; D388-K392 WeakPolarHBondContact OD1-CE 3.37Å; D388-K392 IonicContact OD1-NZ 3.73Å; D388-K392 WeakPolarHBondContact OD2-CE 3.32Å; D388-K392 IonicContact OD2-NZ 3.82Å; D388-K392 PolarHBondContact OD2-NZ 2.93Å; D390-K392 PolarHBondContact O-N 3Å; K392-A395 PolarHBondContact O-N 3.26Å; K392-S396 WeakPolarHBondContact O-CB 3.17Å; K392-S396 PolarHBondContact O-N 3.03Å; K392-S396 PolarHBondContact O-OG 2.64Å
393L91.2Very high76.7Confident116 Ų11683.9 Ų83.961%0.60744%0.44SS*.Hα-helixtrans-64.5-46175.4-177.768.9000111.2V389 D390 A395 S396 K397V389-L393 WeakPolarHBondContact O-CB 3.41Å; V389-L393 PolarHBondContact O-N 3.3Å; D390-L393 PolarHBondContact O-N 3.29Å; L393-A395 VanDerWaalsContact C-N 3.34Å; L393-S396 PolarHBondContact O-N 3.03Å; L393-K397 PolarHBondContact O-N 3.27Å
394R92.7Very high79.9Confident103 Ų10380.8 Ų80.839%0.38943%0.426SS..Hα-helixtrans-64.8-39.8178.3-64.1179.5-164.5-176-6.8111.7D390 G391 K397 L398 A586D390-R394 VanDerWaalsContact O-CG 3.31Å; D390-R394 WeakPolarHBondContact O-CG 3.29Å; D390-R394 PolarHBondContact O-N 2.89Å; D390-R394 IonicContact OD1-CZ 3.14Å; D390-R394 IonicContact OD1-NE 2.85Å; D390-R394 PolarHBondContact OD1-NE 3.36Å; D390-R394 IonicContact OD1-NH2 3.91Å; D390-R394 IonicContact OD2-CZ 3.77Å; D390-R394 IonicContact OD2-NE 3.78Å; D390-R394 PolarHBondContact OD2-NE 2.95Å; D390-R394 VanDerWaalsContact OD2-NE 3.17Å; D390-R394 IonicContact OD2-NH2 2.76Å; D390-R394 PolarHBondContact OD2-NH2 3.5Å; G391-R394 PolarHBondContact O-N 3.16Å; R394-K397 PolarHBondContact O-N 2.83Å; R394-L398 PolarHBondContact O-N 3.01Å; R394-A586 HydrophobicContact CB-CB 4.2Å
395A93.7Very high82.8Confident0 Ų074 Ų740%039%0.389CS..Hα-helixtrans-61.4-45.5171.900000112.3G391 K392 L393 K397 L398 L399 L515 N516 I518G391-A395 WeakPolarHBondContact O-CB 3.41Å; G391-A395 PolarHBondContact O-N 3.37Å; K392-A395 PolarHBondContact O-N 3.26Å; L393-A395 VanDerWaalsContact C-N 3.34Å; A395-K397 VanDerWaalsContact C-N 3.29Å; A395-K397 PolarHBondContact O-N 2.74Å; A395-L398 PolarHBondContact O-N 3.35Å; A395-L399 WeakPolarHBondContact O-CB 3.14Å; A395-L399 PolarHBondContact O-N 2.92Å; A395-L515 HydrophobicContact CB-CD2 4.41Å; A395-L515 HydrophobicContact CB-CG 4.14Å; A395-L515 VanDerWaalsContact O-CD2 3.25Å; A395-L515 WeakPolarHBondContact O-CD2 3.49Å; A395-N516 HydrophobicContact CB-CB 3.75Å; A395-I518 HydrophobicContact CB-CD1 3.83Å
396S94.7Very high85.5Confident57 Ų5769.7 Ų69.740%0.39937%0.372SS..Hα-helixtrans-60.9-39.1177.3-580000111.9K392 L393 L399 E400 I518K392-S396 WeakPolarHBondContact O-CB 3.17Å; K392-S396 PolarHBondContact O-N 3.03Å; K392-S396 PolarHBondContact O-OG 2.64Å; L393-S396 PolarHBondContact O-N 3.03Å; S396-L399 WeakPolarHBondContact O-CB 3.44Å; S396-L399 PolarHBondContact O-N 2.86Å; S396-E400 PolarHBondContact O-N 3.11Å; S396-I518 WeakPolarHBondContact OG-CD1 3.5Å
397K95.4Very high87.8Confident138 Ų13872.8 Ų72.860%0.638%0.382SS*.Hα-helixtrans-66.9-41.7175.8-172.9174.8-177.8178.70112.4L393 R394 A395 L399 E400 I401L393-K397 PolarHBondContact O-N 3.27Å; R394-K397 PolarHBondContact O-N 2.83Å; A395-K397 VanDerWaalsContact C-N 3.29Å; A395-K397 PolarHBondContact O-N 2.74Å; K397-L399 VanDerWaalsContact C-N 3.32Å; K397-E400 PolarHBondContact O-N 3.39Å; K397-I401 HydrophobicContact CG-CD1 4.47Å; K397-I401 WeakPolarHBondContact O-CG1 3.25Å; K397-I401 PolarHBondContact O-N 3.47Å; K397-I401 VanDerWaalsContact O-N 3.14Å
398L96Very high89.9Confident17 Ų1771.1 Ų71.19%0.08937%0.371CS..Hα-helixtrans-63.7-40.6174.5177.558.8000110.9R394 A395 E400 I401 I402 L515 Y526 A586 L587R394-L398 PolarHBondContact O-N 3.01Å; A395-L398 PolarHBondContact O-N 3.35Å; L398-E400 PolarHBondContact O-N 3.01Å; L398-I401 PolarHBondContact O-N 3.39Å; L398-I402 HydrophobicContact CD1-CD1 4.25Å; L398-I402 HydrophobicContact CD1-CG1 4.33Å; L398-I402 HydrophobicContact CG-CD1 3.97Å; L398-I402 VanDerWaalsContact O-CG1 3.31Å; L398-I402 WeakPolarHBondContact O-CG1 3.5Å; L398-I402 PolarHBondContact O-N 3.17Å; L398-L515 HydrophobicContact CB-CD2 4.23Å; L398-L515 HydrophobicContact CD2-CD1 4.23Å; L398-L515 HydrophobicContact CD2-CD2 4.31Å; L398-L515 HydrophobicContact CG-CD2 4.23Å; L398-Y526 HydrophobicContact CD1-CD2 4.21Å; L398-Y526 HydrophobicContact CD1-CE2 4.14Å; L398-Y526 HydrophobicContact CD2-CE2 4.26Å; L398-A586 HydrophobicContact CB-CB 4.06Å; L398-A586 HydrophobicContact CD2-CB 3.81Å; L398-L587 HydrophobicContact CD2-CD2 4.25Å
399L96.1Very high91.2Very high22 Ų2268.8 Ų68.812%0.11536%0.355CS..Hα-helixtrans-59.2-45.7174.8179.355.8000112.3A395 S396 K397 I401 I402 Q403 L515 I518 V521A395-L399 WeakPolarHBondContact O-CB 3.14Å; A395-L399 PolarHBondContact O-N 2.92Å; S396-L399 WeakPolarHBondContact O-CB 3.44Å; S396-L399 PolarHBondContact O-N 2.86Å; K397-L399 VanDerWaalsContact C-N 3.32Å; L399-I401 VanDerWaalsContact C-N 3.3Å; L399-I401 PolarHBondContact O-N 3.32Å; L399-I402 PolarHBondContact O-N 3.06Å; L399-Q403 HydrophobicContact CD1-CG 4.04Å; L399-Q403 HydrophobicContact CG-CG 4.47Å; L399-Q403 WeakPolarHBondContact O-CG 3.36Å; L399-Q403 PolarHBondContact O-N 3.02Å; L399-L515 HydrophobicContact CB-CD2 3.99Å; L399-I518 HydrophobicContact CD2-CG2 4.14Å; L399-V521 HydrophobicContact CD1-CB 4.31Å; L399-V521 HydrophobicContact CD1-CG1 3.39Å; L399-V521 HydrophobicContact CD1-CG2 4.07Å; L399-V521 HydrophobicContact CD2-CG2 3.77Å
400E96.4Very high92.4Very high125 Ų12570.2 Ų70.258%0.58435%0.354SS*.Hα-helixtrans-59.5-41.8176.8-175.5-178.1-172.200111.7S396 K397 L398 T404S396-E400 PolarHBondContact O-N 3.11Å; K397-E400 PolarHBondContact O-N 3.39Å; L398-E400 PolarHBondContact O-N 3.01Å; E400-T404 VanDerWaalsContact O-CB 3.29Å; E400-T404 WeakPolarHBondContact O-CB 3.45Å; E400-T404 PolarHBondContact O-N 3.24Å; E400-T404 PolarHBondContact O-OG1 3.47Å
401I96.5Very high93Very high58 Ų5874 Ų7430%0.29738%0.375SS..Hα-helixtrans-63.5-47.2175.6-65.4166.6000110.5K397 L398 L399 Q403 T404 E405 R552 L553K397-I401 HydrophobicContact CG-CD1 4.47Å; K397-I401 WeakPolarHBondContact O-CG1 3.25Å; K397-I401 PolarHBondContact O-N 3.47Å; K397-I401 VanDerWaalsContact O-N 3.14Å; L398-I401 PolarHBondContact O-N 3.39Å; L399-I401 VanDerWaalsContact C-N 3.3Å; L399-I401 PolarHBondContact O-N 3.32Å; I401-Q403 PolarHBondContact O-N 2.89Å; I401-T404 PolarHBondContact O-N 2.86Å; I401-E405 HydrophobicContact CG2-CG 4.36Å; I401-E405 WeakPolarHBondContact O-CB 3.49Å; I401-E405 WeakPolarHBondContact O-CG 3.25Å; I401-E405 PolarHBondContact O-N 2.91Å; I401-R552 WeakPolarHBondContact CG2-O 3.31Å; I401-L553 HydrophobicContact CG2-CD2 4.09Å
402I96.4Very high93.7Very high5 Ų575.1 Ų75.13%0.02638%0.377CS..Hα-helixtrans-57-51.5178.4-69.5165.5000110.1L398 L399 T404 E405 D406 L525 Y526 L553L398-I402 HydrophobicContact CD1-CD1 4.25Å; L398-I402 HydrophobicContact CD1-CG1 4.33Å; L398-I402 HydrophobicContact CG-CD1 3.97Å; L398-I402 VanDerWaalsContact O-CG1 3.31Å; L398-I402 WeakPolarHBondContact O-CG1 3.5Å; L398-I402 PolarHBondContact O-N 3.17Å; L399-I402 PolarHBondContact O-N 3.06Å; I402-T404 VanDerWaalsContact C-N 3.35Å; I402-T404 PolarHBondContact O-N 3.23Å; I402-E405 PolarHBondContact O-N 3.37Å; I402-D406 VanDerWaalsContact O-CB 3.26Å; I402-D406 WeakPolarHBondContact O-CB 3.3Å; I402-D406 PolarHBondContact O-N 2.92Å; I402-L525 HydrophobicContact CG2-CB 4.46Å; I402-Y526 HydrophobicContact CD1-CD2 4.38Å; I402-Y526 HydrophobicContact CD1-CG 4.29Å; I402-L553 HydrophobicContact CG1-CD2 3.91Å
403Q96.1Very high94.2Very high107 Ų10773.7 Ų73.750%0.538%0.381SS..Hα-helixtrans-63.3-40.3-178.7-71.2174.6-19.200112.4L399 I401 L407L399-Q403 HydrophobicContact CD1-CG 4.04Å; L399-Q403 HydrophobicContact CG-CG 4.47Å; L399-Q403 WeakPolarHBondContact O-CG 3.36Å; L399-Q403 PolarHBondContact O-N 3.02Å; I401-Q403 PolarHBondContact O-N 2.89Å; Q403-L407 WeakPolarHBondContact O-CB 3.46Å; Q403-L407 WeakPolarHBondContact O-CD1 3.3Å; Q403-L407 VanDerWaalsContact O-CG 3.23Å; Q403-L407 WeakPolarHBondContact O-CG 3.47Å; Q403-L407 PolarHBondContact O-N 3.37Å; Q403-L407 VanDerWaalsContact O-N 3.08Å
404T96Very high94.3Very high78 Ų7874.4 Ų74.448%0.47938%0.381SS..Hα-helixtrans-66.5-44.4179.1-58.20000111.3E400 I401 I402 S408E400-T404 VanDerWaalsContact O-CB 3.29Å; E400-T404 WeakPolarHBondContact O-CB 3.45Å; E400-T404 PolarHBondContact O-N 3.24Å; E400-T404 PolarHBondContact O-OG1 3.47Å; I401-T404 PolarHBondContact O-N 2.86Å; I402-T404 VanDerWaalsContact C-N 3.35Å; I402-T404 PolarHBondContact O-N 3.23Å; T404-S408 PolarHBondContact O-N 2.91Å; T404-S408 PolarHBondContact O-OG 2.86Å
405E95.1Very high94.4Very high19 Ų1974.6 Ų74.69%0.08939%0.39CS..Hα-helixtrans-67.9-41.8178.9-71-59.2133.500111.6I401 I402 S408 W409 L525 R549 R552 L553I401-E405 HydrophobicContact CG2-CG 4.36Å; I401-E405 WeakPolarHBondContact O-CB 3.49Å; I401-E405 WeakPolarHBondContact O-CG 3.25Å; I401-E405 PolarHBondContact O-N 2.91Å; I402-E405 PolarHBondContact O-N 3.37Å; E405-S408 CarbonylContact O-C 3.44Å; E405-S408 PolarHBondContact O-N 3.04Å; E405-S408 VanDerWaalsContact O-N 3.12Å; E405-S408 PolarHBondContact O-OG 3.17Å; E405-S408 VanDerWaalsContact O-OG 3.11Å; E405-W409 PolarHBondContact O-N 2.53Å; E405-L525 HydrophobicContact CB-CD2 3.94Å; E405-R549 WeakPolarHBondContact OE2-CD 3.26Å; E405-R549 IonicContact OE2-NE 3.36Å; E405-R552 HydrophobicContact CG-CB 4.26Å; E405-R552 WeakPolarHBondContact OE1-CD 3.23Å; E405-R552 IonicContact OE1-CZ 3.6Å; E405-R552 IonicContact OE1-NE 3.43Å; E405-R552 IonicContact OE1-NH1 3.42Å; E405-R552 PolarHBondContact OE1-NH1 2.94Å; E405-R552 WeakPolarHBondContact OE2-CD 3.48Å; E405-R552 IonicContact OE2-CZ 3.51Å; E405-R552 IonicContact OE2-NE 3.61Å; E405-R552 IonicContact OE2-NH1 2.76Å; E405-R552 PolarHBondContact OE2-NH1 2.85Å; E405-L553 HydrophobicContact CB-CD2 4.5Å; E405-L553 HydrophobicContact CG-CD2 4.48Å
406D93.4Very high94.5Very high79 Ų7978.1 Ų78.142%0.42241%0.408SS..Hα-helixtrans-62.2-43.9179.2-16552.9000112.2I402 S408 W409 L525I402-D406 VanDerWaalsContact O-CB 3.26Å; I402-D406 WeakPolarHBondContact O-CB 3.3Å; I402-D406 PolarHBondContact O-N 2.92Å; D406-S408 PolarHBondContact O-N 3.49Å; D406-W409 WeakPolarHBondContact O-CB 3.48Å; D406-W409 PolarHBondContact O-N 3.26Å; D406-L525 HydrophobicContact CB-CD2 3.82Å
407L93.8Very high94.6Very high157 Ų15775.5 Ų75.582%0.82239%0.389SS*.Hα-helixtrans-63.8-25.1175.3-73.5169.9000113.7Q403Q403-L407 WeakPolarHBondContact O-CB 3.46Å; Q403-L407 WeakPolarHBondContact O-CD1 3.3Å; Q403-L407 VanDerWaalsContact O-CG 3.23Å; Q403-L407 WeakPolarHBondContact O-CG 3.47Å; Q403-L407 PolarHBondContact O-N 3.37Å; Q403-L407 VanDerWaalsContact O-N 3.08Å
408S92.6Very high94.6Very high44 Ų4470.1 Ų70.131%0.30837%0.371SS..THydrogen-bonded Turntrans-102.99.4-179.876.10000113.4T404 E405 D406 E410T404-S408 PolarHBondContact O-N 2.91Å; T404-S408 PolarHBondContact O-OG 2.86Å; E405-S408 CarbonylContact O-C 3.44Å; E405-S408 PolarHBondContact O-N 3.04Å; E405-S408 VanDerWaalsContact O-N 3.12Å; E405-S408 PolarHBondContact O-OG 3.17Å; E405-S408 VanDerWaalsContact O-OG 3.11Å; D406-S408 PolarHBondContact O-N 3.49Å; S408-E410 PolarHBondContact O-N 3.34Å
409W90.6Very high94.6Very high48 Ų4875.7 Ų75.718%0.18240%0.396CS..  trans-74.7110-176.9-156.4-82000110.1E405 D406 L525 F545 R546 R549E405-W409 PolarHBondContact O-N 2.53Å; D406-W409 WeakPolarHBondContact O-CB 3.48Å; D406-W409 PolarHBondContact O-N 3.26Å; W409-L525 HydrophobicContact CD2-CD1 4.22Å; W409-L525 HydrophobicContact CE3-CD1 3.61Å; W409-L525 HydrophobicContact CE3-CD2 3.97Å; W409-L525 HydrophobicContact CE3-CG 4.46Å; W409-L525 HydrophobicContact CH2-CD1 3.47Å; W409-L525 VanDerWaalsContact CH2-CD1 3.47Å; W409-L525 HydrophobicContact CZ2-CD1 4.08Å; W409-L525 HydrophobicContact CZ3-CD1 3.23Å; W409-L525 HydrophobicContact CZ3-CD2 4.05Å; W409-L525 HydrophobicContact CZ3-CG 4.22Å; W409-F545 HydrophobicContact CH2-CD2 4.42Å; W409-F545 AromaticContact CH2-CE2 3.95Å; W409-F545 HydrophobicContact CH2-CE2 3.95Å; W409-F545 HydrophobicContact CZ2-CD2 4.01Å; W409-F545 HydrophobicContact CZ2-CE2 4.01Å; W409-R546 HydrophobicContact CH2-CB 3.92Å; W409-R546 HydrophobicContact CZ2-CB 3.59Å; W409-R546 HydrophobicContact CZ2-CG 3.9Å; W409-R549 HydrophobicContact CH2-CB 4.15Å; W409-R549 HydrophobicContact CZ3-CB 3.93Å; W409-R549 HydrophobicContact CZ3-CG 4.27Å
410E91.5Very high94.7Very high141 Ų14175.9 Ų75.966%0.65940%0.397SS*.  trans-115.9132.9177.5-68.5178.6172.900109.7S408 R546S408-E410 PolarHBondContact O-N 3.34Å; E410-R546 PolarHBondContact O-NH1 2.79Å
411D90.9Very high94.7Very high136 Ų13669.9 Ų69.973%0.72737%0.369SS*.  trans-64.6142.2172.3-63.3-31.1000110.2
412V94.2Very high94.7Very high44 Ų4471.5 Ų71.527%0.26738%0.377SS..  trans-123.4160.4174.6-60.40000108.8I416 V417V412-I416 HydrophobicContact CB-CB 4.28Å; V412-I416 HydrophobicContact CB-CD1 4.4Å; V412-I416 HydrophobicContact CB-CG2 4.19Å; V412-I416 HydrophobicContact CG2-CB 4.16Å; V412-I416 HydrophobicContact CG2-CG2 4Å; V412-V417 HydrophobicContact CG2-CG2 3.45Å; V412-V417 VanDerWaalsContact CG2-CG2 3.45Å
413A95.2Very high94.7Very high53 Ų5375.8 Ų75.844%0.43840%0.404SS..  trans-62.5149.6178.300000111.5D415 I416 V417A413-D415 WeakPolarHBondContact CB-OD1 3.21Å; A413-D415 PolarHBondContact O-N 2.95Å; A413-I416 HydrophobicContact CB-CD1 4.41Å; A413-I416 WeakPolarHBondContact O-CB 3.4Å; A413-I416 PolarHBondContact O-N 3.43Å; A413-V417 PolarHBondContact O-N 3.28Å; A413-V417 VanDerWaalsContact O-N 3.07Å
414E93.2Very high94.8Very high132 Ų13271.1 Ų71.162%0.61738%0.384SS*.Hα-helixtrans-58.3-32.6-174.8-61.2178.4176.300112.9V417 A418 D543E414-V417 PolarHBondContact O-N 3.48Å; E414-A418 WeakPolarHBondContact O-CB 3.41Å; E414-A418 PolarHBondContact O-N 2.87Å; E414-D543 HydrophobicContact CG-CB 4.24Å
415D94.3Very high94.8Very high107 Ų10768.3 Ų68.357%0.57237%0.365SS*.Hα-helixtrans-66.1-40175.862.1-27.9000112.1A413 A418 E419A413-D415 WeakPolarHBondContact CB-OD1 3.21Å; A413-D415 PolarHBondContact O-N 2.95Å; D415-A418 WeakPolarHBondContact O-CB 3.41Å; D415-A418 PolarHBondContact O-N 3.4Å; D415-E419 PolarHBondContact O-N 3.2Å; D415-E419 VanDerWaalsContact O-N 3.07Å
416I96.2Very high94.7Very high73 Ų7372.3 Ų72.337%0.37439%0.387SS..Hα-helixtrans-64.6-42.8172.6-59.3175.5000110V412 A413 A418 E419 Q420V412-I416 HydrophobicContact CB-CB 4.28Å; V412-I416 HydrophobicContact CB-CD1 4.4Å; V412-I416 HydrophobicContact CB-CG2 4.19Å; V412-I416 HydrophobicContact CG2-CB 4.16Å; V412-I416 HydrophobicContact CG2-CG2 4Å; A413-I416 HydrophobicContact CB-CD1 4.41Å; A413-I416 WeakPolarHBondContact O-CB 3.4Å; A413-I416 PolarHBondContact O-N 3.43Å; I416-A418 VanDerWaalsContact C-N 3.31Å; I416-A418 PolarHBondContact O-N 3.47Å; I416-E419 PolarHBondContact O-N 3.09Å; I416-Q420 HydrophobicContact CG2-CG 4.43Å; I416-Q420 VanDerWaalsContact O-CG 3.27Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 2.94Å
417V96.4Very high94.8Very high2 Ų269.8 Ų69.81%0.01238%0.375CS..Hα-helixtrans-60.7-42.8176.1178.10000110.9V412 A413 E414 E419 Q420 F421 H542 D543 F545 Y547V412-V417 HydrophobicContact CG2-CG2 3.45Å; V412-V417 VanDerWaalsContact CG2-CG2 3.45Å; A413-V417 PolarHBondContact O-N 3.28Å; A413-V417 VanDerWaalsContact O-N 3.07Å; E414-V417 PolarHBondContact O-N 3.48Å; V417-E419 VanDerWaalsContact C-N 3.34Å; V417-E419 PolarHBondContact O-N 3.37Å; V417-Q420 WeakPolarHBondContact O-CB 3.37Å; V417-Q420 PolarHBondContact O-N 3.07Å; V417-F421 WeakPolarHBondContact O-CB 3.39Å; V417-F421 PolarHBondContact O-N 3.16Å; V417-H542 WeakPolarHBondContact CG1-O 3.17Å; V417-D543 WeakPolarHBondContact CG2-O 3.34Å; V417-F545 WeakPolarHBondContact CG1-O 3.08Å; V417-Y547 HydrophobicContact CG1-CD2 4.09Å; V417-Y547 HydrophobicContact CG1-CE2 4.22Å
418A95.4Very high94.8Very high25 Ų2562.5 Ų62.521%0.20734%0.337CS..Hα-helixtrans-59.5-42.7176.300000112E414 D415 I416 F421 L422E414-A418 WeakPolarHBondContact O-CB 3.41Å; E414-A418 PolarHBondContact O-N 2.87Å; D415-A418 WeakPolarHBondContact O-CB 3.41Å; D415-A418 PolarHBondContact O-N 3.4Å; I416-A418 VanDerWaalsContact C-N 3.31Å; I416-A418 PolarHBondContact O-N 3.47Å; A418-F421 PolarHBondContact O-N 2.79Å; A418-L422 WeakPolarHBondContact O-CG 3.35Å; A418-L422 PolarHBondContact O-N 3Å
419E96.4Very high94.8Very high134 Ų13463 Ų6363%0.62634%0.336SS*.Hα-helixtrans-64.4-41.7174.6-71-175.6174.300112.7D415 I416 V417 F421 L422 T423D415-E419 PolarHBondContact O-N 3.2Å; D415-E419 VanDerWaalsContact O-N 3.07Å; I416-E419 PolarHBondContact O-N 3.09Å; V417-E419 VanDerWaalsContact C-N 3.34Å; V417-E419 PolarHBondContact O-N 3.37Å; E419-F421 VanDerWaalsContact C-N 3.3Å; E419-F421 PolarHBondContact O-N 3Å; E419-L422 PolarHBondContact O-N 3.45Å; E419-T423 PolarHBondContact O-N 3.4Å; E419-T423 VanDerWaalsContact O-N 3.15Å; E419-T423 PolarHBondContact O-OG1 3.47Å
420Q97.3Very high94.9Very high26 Ų2667 Ų6712%0.12136%0.357CS..Hα-helixtrans-61.4-41.5174.4-67.9172.31000111I416 V417 T423 A424 D548I416-Q420 HydrophobicContact CG2-CG 4.43Å; I416-Q420 VanDerWaalsContact O-CG 3.27Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 2.94Å; V417-Q420 WeakPolarHBondContact O-CB 3.37Å; V417-Q420 PolarHBondContact O-N 3.07Å; Q420-T423 WeakPolarHBondContact O-CB 3.28Å; Q420-T423 PolarHBondContact O-N 3.1Å; Q420-A424 PolarHBondContact O-N 2.91Å; Q420-D548 HydrophobicContact CG-CB 4.14Å; Q420-D548 PolarHBondContact NE2-OD1 3.4Å; Q420-D548 PolarHBondContact OE1-OD1 3.01Å
421F97.5Very high94.8Very high0 Ų060.8 Ų60.80%033%0.328CS..Hα-helixtrans-64.8-41.1179.1-170.4-107.6000112.3V417 A418 E419 T423 A424 I425 P473 I540 C541 Y547V417-F421 WeakPolarHBondContact O-CB 3.39Å; V417-F421 PolarHBondContact O-N 3.16Å; A418-F421 PolarHBondContact O-N 2.79Å; E419-F421 VanDerWaalsContact C-N 3.3Å; E419-F421 PolarHBondContact O-N 3Å; F421-T423 VanDerWaalsContact C-N 3.26Å; F421-T423 PolarHBondContact O-N 3.39Å; F421-A424 WeakPolarHBondContact O-CB 3.41Å; F421-A424 PolarHBondContact O-N 3.45Å; F421-A424 VanDerWaalsContact O-N 3.11Å; F421-I425 HydrophobicContact CD1-CD1 3.69Å; F421-I425 HydrophobicContact CD1-CG1 4.27Å; F421-I425 HydrophobicContact CE1-CD1 3.51Å; F421-I425 HydrophobicContact CE1-CG1 4.01Å; F421-I425 HydrophobicContact CZ-CD1 4.34Å; F421-I425 HydrophobicContact CZ-CG1 4.39Å; F421-I425 WeakPolarHBondContact O-CG1 3.44Å; F421-I425 PolarHBondContact O-N 3.01Å; F421-P473 HydrophobicContact CD1-CB 3.71Å; F421-P473 HydrophobicContact CD1-CG 3.81Å; F421-P473 HydrophobicContact CE1-CB 3.75Å; F421-P473 HydrophobicContact CE1-CG 4.08Å; F421-I540 VanDerWaalsContact CE2-O 3.24Å; F421-I540 WeakPolarHBondContact CE2-O 3.34Å; F421-I540 VanDerWaalsContact CZ-O 3.25Å; F421-I540 WeakPolarHBondContact CZ-O 3.38Å; F421-C541 HydrophobicContact CD1-CB 3.76Å; F421-C541 HydrophobicContact CD2-CB 4.02Å; F421-C541 HydrophobicContact CE1-CB 3.8Å; F421-C541 HydrophobicContact CE2-CB 4.05Å; F421-C541 HydrophobicContact CG-CB 3.85Å; F421-C541 HydrophobicContact CZ-CB 3.95Å; F421-Y547 HydrophobicContact CB-CD2 4.16Å; F421-Y547 HydrophobicContact CB-CE2 4.38Å; F421-Y547 AromaticContact CD2-CD1 3.83Å; F421-Y547 HydrophobicContact CD2-CD1 3.83Å; F421-Y547 AromaticContact CD2-CD2 3.81Å; F421-Y547 HydrophobicContact CD2-CD2 3.81Å; F421-Y547 AromaticContact CD2-CE1 3.52Å; F421-Y547 HydrophobicContact CD2-CE1 3.52Å; F421-Y547 AromaticContact CD2-CE2 3.49Å; F421-Y547 HydrophobicContact CD2-CE2 3.49Å; F421-Y547 VanDerWaalsContact CD2-CE2 3.49Å; F421-Y547 AromaticContact CD2-CG 3.97Å; F421-Y547 HydrophobicContact CD2-CG 3.97Å; F421-Y547 AromaticContact CD2-CZ 3.32Å; F421-Y547 HydrophobicContact CE2-CD1 4.33Å; F421-Y547 AromaticContact CE2-CE1 3.65Å; F421-Y547 HydrophobicContact CE2-CE1 3.65Å; F421-Y547 HydrophobicContact CE2-CE2 4.17Å; F421-Y547 AromaticContact CE2-CZ 3.55Å; F421-Y547 HydrophobicContact CG-CD2 4.49Å; F421-Y547 HydrophobicContact CG-CE2 4.33Å
422L96.9Very high94.3Very high91 Ų9158.2 Ų58.248%0.47631%0.314SS..Hα-helixtrans-59.4-39.7172.9-69.3176000111.7A418 E419 I425 I426 P473A418-L422 WeakPolarHBondContact O-CG 3.35Å; A418-L422 PolarHBondContact O-N 3Å; E419-L422 PolarHBondContact O-N 3.45Å; L422-I425 HydrophobicContact CD2-CD1 4.49Å; L422-I425 PolarHBondContact O-N 3.34Å; L422-I426 WeakPolarHBondContact O-CG1 3.32Å; L422-I426 PolarHBondContact O-N 3.27Å; L422-P473 HydrophobicContact CD2-CG 3.79Å
423T96.9Very high93.3Very high95 Ų9559.1 Ų59.158%0.58332%0.323SS*.Hα-helixtrans-65.7-40.7174.1-560000111.5E419 Q420 F421 I426 S427E419-T423 PolarHBondContact O-N 3.4Å; E419-T423 VanDerWaalsContact O-N 3.15Å; E419-T423 PolarHBondContact O-OG1 3.47Å; Q420-T423 WeakPolarHBondContact O-CB 3.28Å; Q420-T423 PolarHBondContact O-N 3.1Å; F421-T423 VanDerWaalsContact C-N 3.26Å; F421-T423 PolarHBondContact O-N 3.39Å; T423-I426 PolarHBondContact O-N 2.77Å; T423-S427 PolarHBondContact O-N 3.4Å
424A96.4Very high91.8Very high9 Ų962.4 Ų62.47%0.07433%0.329CS..Hα-helixtrans-62.7-42.1176.700000112Q420 F421 I426 S427 N428 Y547Q420-A424 PolarHBondContact O-N 2.91Å; F421-A424 WeakPolarHBondContact O-CB 3.41Å; F421-A424 PolarHBondContact O-N 3.45Å; F421-A424 VanDerWaalsContact O-N 3.11Å; A424-I426 VanDerWaalsContact C-N 3.33Å; A424-I426 PolarHBondContact O-N 3.34Å; A424-S427 CarbonylContact O-C 3.35Å; A424-S427 WeakPolarHBondContact O-CB 3.45Å; A424-S427 PolarHBondContact O-N 3.34Å; A424-S427 VanDerWaalsContact O-N 3.14Å; A424-N428 WeakPolarHBondContact O-CB 3.38Å; A424-N428 PolarHBondContact O-N 2.6Å; A424-N428 PolarHBondContact O-OD1 3.34Å; A424-Y547 HydrophobicContact CB-CD1 4.21Å; A424-Y547 HydrophobicContact CB-CG 4.44Å
425I96.1Very high90.4Very high19 Ų1960.3 Ų60.310%0.09734%0.335CS..Hα-helixtrans-57.7-45.5174.9-69.6163.2000111.2F421 L422 S427 N428 N429 F469 P473F421-I425 HydrophobicContact CD1-CD1 3.69Å; F421-I425 HydrophobicContact CD1-CG1 4.27Å; F421-I425 HydrophobicContact CE1-CD1 3.51Å; F421-I425 HydrophobicContact CE1-CG1 4.01Å; F421-I425 HydrophobicContact CZ-CD1 4.34Å; F421-I425 HydrophobicContact CZ-CG1 4.39Å; F421-I425 WeakPolarHBondContact O-CG1 3.44Å; F421-I425 PolarHBondContact O-N 3.01Å; L422-I425 HydrophobicContact CD2-CD1 4.49Å; L422-I425 PolarHBondContact O-N 3.34Å; I425-S427 VanDerWaalsContact C-N 3.33Å; I425-S427 PolarHBondContact O-N 3.09Å; I425-N428 WeakPolarHBondContact O-CB 3.36Å; I425-N428 PolarHBondContact O-N 3.44Å; I425-N429 VanDerWaalsContact O-CG 3.26Å; I425-N429 PolarHBondContact O-N 2.96Å; I425-N429 VanDerWaalsContact O-N 3.09Å; I425-N429 PolarHBondContact O-OD1 3.08Å; I425-F469 HydrophobicContact CD1-CD1 3.82Å; I425-F469 HydrophobicContact CD1-CE1 3.9Å; I425-F469 HydrophobicContact CG1-CD1 4.23Å; I425-F469 HydrophobicContact CG2-CD1 4.37Å; I425-P473 HydrophobicContact CD1-CG 4.27Å
426I94.6Very high89.1Confident104 Ų10457 Ų5753%0.53332%0.318SS..Hα-helixtrans-61.9-44.3177.5-64.3168.4000110.2L422 T423 A424 N429 Q430L422-I426 WeakPolarHBondContact O-CG1 3.32Å; L422-I426 PolarHBondContact O-N 3.27Å; T423-I426 PolarHBondContact O-N 2.77Å; A424-I426 VanDerWaalsContact C-N 3.33Å; A424-I426 PolarHBondContact O-N 3.34Å; I426-N429 PolarHBondContact O-N 2.94Å; I426-Q430 WeakPolarHBondContact O-CG 3.14Å; I426-Q430 PolarHBondContact O-N 3.09Å
427S94.5Very high87.8Confident26 Ų2655.3 Ų55.318%0.18231%0.308CS..Hα-helixtrans-62.4-41.1176.3-179.10000112.2T423 A424 I425 N429 Q430 L431 R559T423-S427 PolarHBondContact O-N 3.4Å; A424-S427 CarbonylContact O-C 3.35Å; A424-S427 WeakPolarHBondContact O-CB 3.45Å; A424-S427 PolarHBondContact O-N 3.34Å; A424-S427 VanDerWaalsContact O-N 3.14Å; I425-S427 VanDerWaalsContact C-N 3.33Å; I425-S427 PolarHBondContact O-N 3.09Å; S427-N429 VanDerWaalsContact C-N 3.29Å; S427-N429 PolarHBondContact O-N 2.79Å; S427-Q430 WeakPolarHBondContact O-CB 3.35Å; S427-Q430 PolarHBondContact O-N 2.77Å; S427-Q430 VanDerWaalsContact O-N 3.09Å; S427-L431 PolarHBondContact O-N 2.87Å; S427-R559 PolarHBondContact OG-NH1 3.43Å
428N94.8Very high86.2Confident3 Ų359.6 Ų59.62%0.01634%0.336CS..Hα-helixtrans-59.9-40.5177.7-71.7-11.4000111.5A424 I425 Q430 L431 E533 S536 F537 R559 K563A424-N428 WeakPolarHBondContact O-CB 3.38Å; A424-N428 PolarHBondContact O-N 2.6Å; A424-N428 PolarHBondContact O-OD1 3.34Å; I425-N428 WeakPolarHBondContact O-CB 3.36Å; I425-N428 PolarHBondContact O-N 3.44Å; N428-Q430 PolarHBondContact O-N 3.47Å; N428-L431 WeakPolarHBondContact O-CB 3.36Å; N428-L431 PolarHBondContact O-N 3.09Å; N428-E533 PolarHBondContact OD1-OE1 3.22Å; N428-S536 PolarHBondContact ND2-OG 3.08Å; N428-F537 HydrophobicContact CB-CD1 4.04Å; N428-F537 HydrophobicContact CB-CE1 4.25Å; N428-F537 WeakPolarHBondContact ND2-CD1 3.44Å; N428-R559 PolarHBondContact OD1-NH2 2.87Å; N428-K563 PolarHBondContact O-NZ 3.32Å
429N92.1Very high84.7Confident55 Ų5559.3 Ų59.329%0.29433%0.332SS..Hα-helixtrans-66.4-26.8178.7-66.4-9.5000112.5I425 I426 S427 L431 N468I425-N429 VanDerWaalsContact O-CG 3.26Å; I425-N429 PolarHBondContact O-N 2.96Å; I425-N429 VanDerWaalsContact O-N 3.09Å; I425-N429 PolarHBondContact O-OD1 3.08Å; I426-N429 PolarHBondContact O-N 2.94Å; S427-N429 VanDerWaalsContact C-N 3.29Å; S427-N429 PolarHBondContact O-N 2.79Å; N429-L431 VanDerWaalsContact C-N 3.32Å; N429-N468 WeakPolarHBondContact OD1-CB 3.44Å
430Q91.5Very high83.1Confident131 Ų13158.8 Ų58.861%0.61233%0.334SS*.Hα-helixtrans-77.7-16.8177.6-65169.4-3.500113I426 S427 N428 D432 S433I426-Q430 WeakPolarHBondContact O-CG 3.14Å; I426-Q430 PolarHBondContact O-N 3.09Å; S427-Q430 WeakPolarHBondContact O-CB 3.35Å; S427-Q430 PolarHBondContact O-N 2.77Å; S427-Q430 VanDerWaalsContact O-N 3.09Å; N428-Q430 PolarHBondContact O-N 3.47Å; Q430-D432 PolarHBondContact O-N 2.92Å; Q430-S433 WeakPolarHBondContact O-CB 3.39Å; Q430-S433 PolarHBondContact O-N 3.44Å
431L90.1Very high81.9Confident12 Ų1261.8 Ų61.86%0.06335%0.351CS..THydrogen-bonded Turntrans-67-17.8178.2-62.6174.4000113.3S427 N428 N429 S433 F537 N556 R559 A560 K563S427-L431 PolarHBondContact O-N 2.87Å; N428-L431 WeakPolarHBondContact O-CB 3.36Å; N428-L431 PolarHBondContact O-N 3.09Å; N429-L431 VanDerWaalsContact C-N 3.32Å; L431-S433 PolarHBondContact O-N 3.12Å; L431-F537 HydrophobicContact CD1-CE1 4.23Å; L431-N556 HydrophobicContact CD2-CB 4.45Å; L431-R559 HydrophobicContact CD1-CB 3.81Å; L431-R559 HydrophobicContact CD2-CB 4.25Å; L431-A560 HydrophobicContact CB-CB 4.21Å; L431-A560 HydrophobicContact CD2-CB 4.32Å; L431-K563 HydrophobicContact CB-CD 4.17Å; L431-K563 HydrophobicContact CD1-CD 4.35Å
432D80.7Confident81Confident81 Ų8163.9 Ų63.943%0.43336%0.361SS..THydrogen-bonded Turntrans-76.3-5.4178.1-56.2-33.1000113.1Q430 E434 N468 K563Q430-D432 PolarHBondContact O-N 2.92Å; D432-E434 PolarHBondContact O-N 2.96Å; D432-N468 VanDerWaalsContact OD2-CG 3.31Å; D432-N468 PolarHBondContact OD2-ND2 3.49Å; D432-N468 PolarHBondContact OD2-OD1 2.91Å; D432-K563 WeakPolarHBondContact OD1-CE 3.4Å; D432-K563 IonicContact OD1-NZ 3.84Å; D432-K563 PolarHBondContact OD1-NZ 2.95Å; D432-K563 IonicContact OD2-NZ 3.71Å; D432-K563 PolarHBondContact OD2-NZ 2.79Å
433S73.7Confident80.2Confident64 Ų6466.1 Ų66.145%0.44837%0.371SS..SBendtrans-62.2134.4178.4-179.70000111.3Q430 L431 A435 V436Q430-S433 WeakPolarHBondContact O-CB 3.39Å; Q430-S433 PolarHBondContact O-N 3.44Å; L431-S433 PolarHBondContact O-N 3.12Å; S433-A435 PolarHBondContact O-N 3.27Å; S433-A435 WeakPolarHBondContact OG-CB 3.16Å; S433-A435 PolarHBondContact OG-N 2.79Å; S433-V436 PolarHBondContact O-N 2.8Å
434E63.6Low79.5Confident121 Ų12167.6 Ų67.657%0.56537%0.369SS*.THydrogen-bonded Turntrans-55.2-17.5172.9-69.4-174.9165.100112.9D432 V436 F437 P438D432-E434 PolarHBondContact O-N 2.96Å; E434-V436 PolarHBondContact O-N 2.98Å; E434-F437 CarbonylContact O-C 3.53Å; E434-P438 WeakPolarHBondContact O-CA 3.32Å
435A63.8Low78.8Confident89 Ų8969.5 Ų69.574%0.73638%0.376SS*.THydrogen-bonded Turntrans-60.3-26.6174.300000113.5S433S433-A435 PolarHBondContact O-N 3.27Å; S433-A435 WeakPolarHBondContact OG-CB 3.16Å; S433-A435 PolarHBondContact OG-N 2.79Å
436V65.5Low78.4Confident36 Ų3669.2 Ų69.222%0.21838%0.375CS..THydrogen-bonded Turntrans-91.1-45.1179.7-168.90000111.3S433 E434 A560S433-V436 PolarHBondContact O-N 2.8Å; E434-V436 PolarHBondContact O-N 2.98Å; V436-A560 HydrophobicContact CB-CB 4.26Å; V436-A560 HydrophobicContact CG1-CB 3.52Å
437F70.3Confident78.1Confident38 Ų3868.7 Ų68.717%0.16737%0.37CS..SBendtrans-13398.7174.8-65.7-60.1000110.6E434 S439 S557 A560 I575 I583E434-F437 CarbonylContact O-C 3.53Å; F437-S439 PolarHBondContact O-N 3.39Å; F437-S557 WeakPolarHBondContact CZ-O 3.16Å; F437-A560 HydrophobicContact CD2-CB 3.99Å; F437-A560 HydrophobicContact CE2-CB 3.46Å; F437-A560 VanDerWaalsContact CE2-CB 3.46Å; F437-A560 HydrophobicContact CZ-CB 4.39Å; F437-I575 HydrophobicContact CB-CD1 3.83Å; F437-I575 HydrophobicContact CB-CG1 4.13Å; F437-I575 HydrophobicContact CD1-CD1 3.7Å; F437-I575 HydrophobicContact CD1-CG1 4.41Å; F437-I575 HydrophobicContact CD1-CG2 3.87Å; F437-I575 HydrophobicContact CD2-CD1 3.82Å; F437-I575 HydrophobicContact CE1-CD1 4.18Å; F437-I575 HydrophobicContact CE1-CG2 4.47Å; F437-I575 HydrophobicContact CE2-CD1 4.27Å; F437-I575 HydrophobicContact CG-CD1 3.51Å; F437-I575 HydrophobicContact CG-CG1 4.28Å; F437-I575 HydrophobicContact CZ-CD1 4.45Å; F437-I583 HydrophobicContact CE1-CD1 4.22Å; F437-I583 HydrophobicContact CZ-CD1 4.3Å
438P61.4Low77.7Confident93 Ų9372.4 Ų72.460%0.60438%0.383SS*.  trans-68.6103.3177.924.7-31.1000109.5E434E434-P438 WeakPolarHBondContact O-CA 3.32Å
439S64.9Low77.4Confident18 Ų1872.6 Ų72.613%0.12638%0.384CS..  trans-132.683.1173.4-174.70000109.9F437 N441 M442 T574F437-S439 PolarHBondContact O-N 3.39Å; S439-N441 PolarHBondContact O-N 2.84Å; S439-M442 PolarHBondContact O-N 3.3Å; S439-M442 PolarHBondContact OG-N 3.32Å; S439-T574 WeakPolarHBondContact OG-CB 3.45Å; S439-T574 PolarHBondContact OG-O 3.44Å; S439-T574 PolarHBondContact OG-OG1 2.82Å
440N61.8Low77.4Confident123 Ų12370 Ų7066%0.65837%0.37SS*.THydrogen-bonded Turntrans-57-8.5179.3-64.7-2000113.9
441N72Confident77.4Confident89 Ų8969.5 Ų69.548%0.47636%0.364SS..THydrogen-bonded Turntrans-133.313.6-174.8-66-39000113.9S439 M443 K444 H445S439-N441 PolarHBondContact O-N 2.84Å; N441-M443 PolarHBondContact O-N 3.41Å; N441-K444 HydrophobicContact CB-CB 4.45Å; N441-K444 PolarHBondContact O-N 3.34Å; N441-K444 WeakPolarHBondContact OD1-CD 3.24Å; N441-K444 PolarHBondContact OD1-NZ 3.46Å; N441-H445 PolarHBondContact O-N 2.81Å
442M79.4Confident77.4Confident45 Ų4569.2 Ų69.222%0.22236%0.362CS..Hα-helixtrans-52.5-56.8178.1170.2172.5162.800111.6S439 K444 H445 I446 L564 F568 A571S439-M442 PolarHBondContact O-N 3.3Å; S439-M442 PolarHBondContact OG-N 3.32Å; M442-K444 VanDerWaalsContact C-N 3.31Å; M442-K444 PolarHBondContact O-N 2.95Å; M442-H445 WeakPolarHBondContact O-CB 3.37Å; M442-H445 PolarHBondContact O-N 3.29Å; M442-H445 VanDerWaalsContact O-N 3.09Å; M442-I446 HydrophobicContact CE-CD1 3.99Å; M442-I446 HydrophobicContact CG-CD1 4.04Å; M442-I446 WeakPolarHBondContact O-CG1 3.33Å; M442-I446 PolarHBondContact O-N 2.92Å; M442-I446 VanDerWaalsContact O-N 3.07Å; M442-L564 HydrophobicContact CE-CD1 3.94Å; M442-L564 HydrophobicContact SD-CD1 4.2Å; M442-F568 HydrophobicContact CE-CB 3.78Å; M442-F568 HydrophobicContact CE-CD1 4.41Å; M442-F568 HydrophobicContact CE-CD2 4.18Å; M442-F568 HydrophobicContact CE-CG 3.92Å; M442-A571 HydrophobicContact CE-CB 3.4Å; M442-A571 VanDerWaalsContact CE-CB 3.4Å; M442-A571 HydrophobicContact CG-CB 3.56Å; M442-A571 HydrophobicContact SD-CB 3.54Å; M442-A571 VanDerWaalsContact SD-CB 3.54Å
443M80.7Confident77.8Confident137 Ų13769.3 Ų69.368%0.67537%0.367SS*.Hα-helixtrans-62.2-37.5-179.2-75.3-63.5-75.500112.5N441 H445 I446 E447N441-M443 PolarHBondContact O-N 3.41Å; M443-H445 VanDerWaalsContact C-N 3.3Å; M443-H445 PolarHBondContact O-N 2.88Å; M443-I446 PolarHBondContact O-N 3.02Å; M443-I446 HydrophobicContact SD-CD1 4.24Å; M443-E447 WeakPolarHBondContact O-CB 3.3Å; M443-E447 PolarHBondContact O-N 2.92Å
444K82.6Confident78.5Confident126 Ų12666.5 Ų66.555%0.54835%0.347SS..Hα-helixtrans-63.9-36.3175.6-62.6-175.4-166.3154.50112N441 M442 K448N441-K444 HydrophobicContact CB-CB 4.45Å; N441-K444 PolarHBondContact O-N 3.34Å; N441-K444 WeakPolarHBondContact OD1-CD 3.24Å; N441-K444 PolarHBondContact OD1-NZ 3.46Å; M442-K444 VanDerWaalsContact C-N 3.31Å; M442-K444 PolarHBondContact O-N 2.95Å; K444-K448 WeakPolarHBondContact O-CB 3.47Å; K444-K448 PolarHBondContact O-N 3.03Å
445H81.5Confident79.9Confident49 Ų4960.8 Ų60.823%0.22732%0.32CS..Hα-helixtrans-67.9-44.6176.9-164.993.7000111.8S2 N441 M442 M443 E447 K448 L449 T574S2-H445 PolarHBondContact OG-CE1 2.87Å; S2-H445 PolarHBondContact OG-NE2 3.46Å; N441-H445 PolarHBondContact O-N 2.81Å; M442-H445 WeakPolarHBondContact O-CB 3.37Å; M442-H445 PolarHBondContact O-N 3.29Å; M442-H445 VanDerWaalsContact O-N 3.09Å; M443-H445 VanDerWaalsContact C-N 3.3Å; M443-H445 PolarHBondContact O-N 2.88Å; H445-E447 VanDerWaalsContact C-N 3.33Å; H445-K448 PolarHBondContact O-N 3.11Å; H445-L449 PolarHBondContact O-N 3.29Å; H445-T574 HydrophobicContact CB-CG2 3.62Å
446I86.6Confident81.3Confident13 Ų1359 Ų597%0.06730%0.302CS..Hα-helixtrans-59.2-48.2175.9-64.9173.6000109.6M442 M443 L449 S450 F568 V570 A571M442-I446 HydrophobicContact CE-CD1 3.99Å; M442-I446 HydrophobicContact CG-CD1 4.04Å; M442-I446 WeakPolarHBondContact O-CG1 3.33Å; M442-I446 PolarHBondContact O-N 2.92Å; M442-I446 VanDerWaalsContact O-N 3.07Å; M443-I446 PolarHBondContact O-N 3.02Å; M443-I446 HydrophobicContact SD-CD1 4.24Å; I446-L449 PolarHBondContact O-N 2.81Å; I446-S450 PolarHBondContact O-N 2.95Å; I446-S450 PolarHBondContact O-OG 2.87Å; I446-S450 VanDerWaalsContact O-OG 3.07Å; I446-F568 HydrophobicContact CD1-CD1 4.39Å; I446-V570 HydrophobicContact CD1-CG1 4.31Å; I446-V570 HydrophobicContact CG1-CG1 3.83Å; I446-A571 HydrophobicContact CD1-CB 4.35Å
447E88.1Confident82.7Confident94 Ų9460.1 Ų60.144%0.43930%0.303SS..Hα-helixtrans-59.7-48.9178.2-173.9176.9-162.600111.6M443 H445 L449 S450 Y451M443-E447 WeakPolarHBondContact O-CB 3.3Å; M443-E447 PolarHBondContact O-N 2.92Å; H445-E447 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 3.47Å; E447-S450 WeakPolarHBondContact O-CB 3.45Å; E447-S450 PolarHBondContact O-N 3.37Å; E447-S450 VanDerWaalsContact O-N 3.07Å; E447-Y451 HydrophobicContact CG-CD2 4.07Å; E447-Y451 HydrophobicContact CG-CE2 3.67Å; E447-Y451 WeakPolarHBondContact O-CD2 3.32Å; E447-Y451 PolarHBondContact O-N 3.36Å
448K87.6Confident83.9Confident104 Ų10458.4 Ų58.445%0.45230%0.295SS..Hα-helixtrans-55.5-39.7176-178.4176.2177.21780112.1M6 K444 H445 H452M6-K448 HydrophobicContact CE-CD 4.23Å; M6-K448 HydrophobicContact CE-CG 3.88Å; M6-K448 VanDerWaalsContact SD-CE 3.59Å; K444-K448 WeakPolarHBondContact O-CB 3.47Å; K444-K448 PolarHBondContact O-N 3.03Å; H445-K448 PolarHBondContact O-N 3.11Å; K448-H452 PolarHBondContact O-N 2.95Å
449L88.5Confident85.4Confident7 Ų754.6 Ų54.64%0.03727%0.269CS..Hα-helixtrans-72.5-36.1176.7-85.2174.4000113.2R216 I218 H445 I446 E447 Y451 H452 I455 V570R216-L449 HydrophobicContact CB-CB 4.31Å; I218-L449 HydrophobicContact CD1-CD2 3.79Å; H445-L449 PolarHBondContact O-N 3.29Å; I446-L449 PolarHBondContact O-N 2.81Å; E447-L449 PolarHBondContact O-N 3.47Å; L449-Y451 PolarHBondContact O-N 2.61Å; L449-H452 WeakPolarHBondContact O-CB 3.46Å; L449-H452 PolarHBondContact O-N 2.92Å; L449-I455 WeakPolarHBondContact O-CB 3.24Å; L449-V570 HydrophobicContact CD1-CG2 3.26Å
450S91.8Very high86.5Confident1 Ų158.6 Ų58.61%0.00729%0.289CS..Hα-helixtrans-56.1-35.3174.8-59.30000112.1R216 I446 E447 S456 P462R216-S450 PolarHBondContact NE-OG 3.08Å; R216-S450 PolarHBondContact NH2-OG 3.05Å; R216-S450 VanDerWaalsContact NH2-OG 3.16Å; I446-S450 PolarHBondContact O-N 2.95Å; I446-S450 PolarHBondContact O-OG 2.87Å; I446-S450 VanDerWaalsContact O-OG 3.07Å; E447-S450 WeakPolarHBondContact O-CB 3.45Å; E447-S450 PolarHBondContact O-N 3.37Å; E447-S450 VanDerWaalsContact O-N 3.07Å; S450-S456 WeakPolarHBondContact O-CB 3.27Å; S450-P462 WeakPolarHBondContact CB-O 3.45Å; S450-P462 PolarHBondContact OG-O 3.06Å
451Y91.7Very high87.9Confident120 Ų12054.3 Ų54.347%0.47127%0.269SS..THydrogen-bonded Turntrans-90.61.3179.3-64.9-68.4000114.1E447 L449 P462 H463E447-Y451 HydrophobicContact CG-CD2 4.07Å; E447-Y451 HydrophobicContact CG-CE2 3.67Å; E447-Y451 WeakPolarHBondContact O-CD2 3.32Å; E447-Y451 PolarHBondContact O-N 3.36Å; L449-Y451 PolarHBondContact O-N 2.61Å; Y451-P462 HydrophobicContact CE1-CB 4.18Å; Y451-P462 HydrophobicContact CE1-CG 4.29Å; Y451-H463 PolarHBondContact OH-CE1 3.26Å
452H88.9Confident88.7Confident6 Ų651.8 Ų51.83%0.02826%0.257CS..SBendtrans-61.9135.5177-173.3-88.9000110.7K448 L449 L454 I455 S456K448-H452 PolarHBondContact O-N 2.95Å; L449-H452 WeakPolarHBondContact O-CB 3.46Å; L449-H452 PolarHBondContact O-N 2.92Å; H452-L454 WeakPolarHBondContact ND1-CB 3.49Å; H452-L454 PolarHBondContact ND1-N 2.97Å; H452-L454 VanDerWaalsContact ND1-N 3.19Å; H452-L454 PolarHBondContact O-N 2.98Å; H452-I455 HydrophobicContact CB-CB 4.31Å; H452-I455 HydrophobicContact CB-CG1 4.14Å; H452-I455 WeakPolarHBondContact O-CA 3.2Å; H452-I455 PolarHBondContact O-N 3.27Å; H452-S456 PolarHBondContact O-N 2.74Å; H452-S456 PolarHBondContact O-OG 2.87Å; H452-S456 VanDerWaalsContact O-OG 3.11Å
453P88.9Confident89.1Confident83 Ų8356.7 Ų56.754%0.53928%0.28SS..Hα-helixtrans-57.6-26.1-174.4-2835000115.9R457P453-R457 PolarHBondContact O-NE 2.96Å; P453-R457 PolarHBondContact O-NH2 3.2Å
454L89.6Confident89.5Confident5 Ų550.8 Ų50.83%0.02625%0.252CS..Hα-helixtrans-80.6-19.4174.4-64.8178.7000113.8C9 L13 I218 L222 H452 F458C9-L454 HydrophobicContact CB-CD1 3.78Å; L13-L454 HydrophobicContact CD1-CD2 3.47Å; L13-L454 VanDerWaalsContact CD1-CD2 3.47Å; L13-L454 HydrophobicContact CD2-CD2 3.96Å; L13-L454 HydrophobicContact CG-CD2 4.42Å; I218-L454 HydrophobicContact CG2-CD1 3.84Å; L222-L454 HydrophobicContact CD1-CD1 4.46Å; L222-L454 HydrophobicContact CD2-CD1 3.81Å; L222-L454 HydrophobicContact CG-CD1 4.23Å; H452-L454 WeakPolarHBondContact ND1-CB 3.49Å; H452-L454 PolarHBondContact ND1-N 2.97Å; H452-L454 VanDerWaalsContact ND1-N 3.19Å; H452-L454 PolarHBondContact O-N 2.98Å; L454-F458 WeakPolarHBondContact O-CD2 3.3Å
455I93.2Very high89.9Confident0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-98.9-52.1-179.2-60.6-55.7000110.3R216 I218 V221 L449 H452 R457 F458 L459R216-I455 HydrophobicContact CG-CG2 4.18Å; I218-I455 HydrophobicContact CG1-CD1 3.76Å; I218-I455 HydrophobicContact CG1-CG1 3.88Å; V221-I455 HydrophobicContact CG2-CD1 4.03Å; L449-I455 WeakPolarHBondContact O-CB 3.24Å; H452-I455 HydrophobicContact CB-CB 4.31Å; H452-I455 HydrophobicContact CB-CG1 4.14Å; H452-I455 WeakPolarHBondContact O-CA 3.2Å; H452-I455 PolarHBondContact O-N 3.27Å; I455-R457 PolarHBondContact O-N 3.5Å; I455-R457 VanDerWaalsContact O-N 3.11Å; I455-F458 CarbonylContact O-C 3.59Å; I455-F458 PolarHBondContact O-N 3.03Å; I455-L459 HydrophobicContact CG2-CB 4.14Å; I455-L459 HydrophobicContact CG2-CD2 3.87Å; I455-L459 WeakPolarHBondContact O-CB 3.39Å; I455-L459 PolarHBondContact O-N 3.39Å
456S93.4Very high90.4Very high51 Ų5143.7 Ų43.736%0.35723%0.225SC..Hα-helixtrans-58.9-29.5-172.657.40000113.6S450 H452 F458S450-S456 WeakPolarHBondContact O-CB 3.27Å; H452-S456 PolarHBondContact O-N 2.74Å; H452-S456 PolarHBondContact O-OG 2.87Å; H452-S456 VanDerWaalsContact O-OG 3.11Å; S456-F458 PolarHBondContact O-N 3.36Å
457R93.4Very high90.7Very high61 Ų6151 Ų5123%0.2325%0.252CS..THydrogen-bonded Turntrans-66.1-25.7174.975175.971.2-161.73.3113.6L13 L238 G240 V241 P453 I455L13-R457 VanDerWaalsContact CD2-CZ 3.44Å; L238-R457 VanDerWaalsContact O-CD 3.25Å; L238-R457 WeakPolarHBondContact O-CD 3.15Å; L238-R457 PolarHBondContact O-NH1 3.27Å; G240-R457 CarbonylContact C-O 3.58Å; G240-R457 WeakPolarHBondContact CA-O 3.39Å; V241-R457 PolarHBondContact N-O 3.43Å; P453-R457 PolarHBondContact O-NE 2.96Å; P453-R457 PolarHBondContact O-NH2 3.2Å; I455-R457 PolarHBondContact O-N 3.5Å; I455-R457 VanDerWaalsContact O-N 3.11Å
458F95.2Very high91Very high2 Ų248.8 Ų48.81%0.00924%0.243CC..THydrogen-bonded Turntrans-112.4-0.5-175.7-59.7-55.4000113.1Y206 I209 A213 V221 L238 V241 L454 I455 S456Y206-F458 HydrophobicContact CE2-CE1 4.03Å; I209-F458 HydrophobicContact CG2-CB 4.47Å; I209-F458 HydrophobicContact CG2-CD1 3.98Å; I209-F458 HydrophobicContact CG2-CD2 3.37Å; I209-F458 HydrophobicContact CG2-CE1 4.01Å; I209-F458 HydrophobicContact CG2-CE2 3.37Å; I209-F458 HydrophobicContact CG2-CG 3.68Å; I209-F458 HydrophobicContact CG2-CZ 3.72Å; A213-F458 HydrophobicContact CB-CB 3.45Å; A213-F458 VanDerWaalsContact CB-CB 3.45Å; V221-F458 HydrophobicContact CG1-CD2 4.33Å; V221-F458 HydrophobicContact CG1-CE2 4.25Å; L238-F458 HydrophobicContact CD2-CZ 4.3Å; V241-F458 VanDerWaalsContact CG2-CA 3.41Å; V241-F458 HydrophobicContact CG2-CB 4.4Å; V241-F458 WeakPolarHBondContact CG2-O 3.43Å; L454-F458 WeakPolarHBondContact O-CD2 3.3Å; I455-F458 CarbonylContact O-C 3.59Å; I455-F458 PolarHBondContact O-N 3.03Å; S456-F458 PolarHBondContact O-N 3.36Å
459L94.3Very high91.4Very high12 Ų1244.2 Ų44.26%0.06322%0.223CC..  trans-112.4113-175.3-176.965.2000110.6I455I455-L459 HydrophobicContact CG2-CB 4.14Å; I455-L459 HydrophobicContact CG2-CD2 3.87Å; I455-L459 WeakPolarHBondContact O-CB 3.39Å; I455-L459 PolarHBondContact O-N 3.39Å
460D87.7Confident91.6Very high102 Ų10248.9 Ų48.955%0.54525%0.248SC..SBendtrans-74.2-33.3-179.1-178.148.2000113.1C252 R256C252-D460 HydrophobicContact CB-CB 3.99Å; R256-D460 IonicContact NH1-OD2 3.16Å
461S90.6Very high91.7Very high33 Ų3350.9 Ų50.923%0.23126%0.264CS..  trans-127.394.6-176.1-62.10000111.2R256 H463 S464R256-S461 PolarHBondContact NH1-OG 2.8Å; S461-H463 PolarHBondContact O-N 2.9Å; S461-S464 VanDerWaalsContact O-CB 3.22Å; S461-S464 WeakPolarHBondContact O-CB 3.18Å; S461-S464 PolarHBondContact O-N 2.86Å; S461-S464 PolarHBondContact O-OG 3.31Å
462P89Confident91.9Very high36 Ų3654 Ų5423%0.23428%0.275CS..THydrogen-bonded Turntrans-58.3-24.5-176.7-28.436.2000115.4R216 S450 Y451R216-P462 PolarHBondContact NH2-O 3.02Å; S450-P462 WeakPolarHBondContact CB-O 3.45Å; S450-P462 PolarHBondContact OG-O 3.06Å; Y451-P462 HydrophobicContact CE1-CB 4.18Å; Y451-P462 HydrophobicContact CE1-CG 4.29Å
463H87.5Confident92.2Very high149 Ų14954.6 Ų54.669%0.6928%0.28SS*.THydrogen-bonded Turntrans-96.810.2179-51.3-62.4000113.2Y451 S461Y451-H463 PolarHBondContact OH-CE1 3.26Å; S461-H463 PolarHBondContact O-N 2.9Å
464S90Very high92.6Very high12 Ų1250.9 Ų50.98%0.08426%0.255CS..  trans-65.8152.3172.667.50000111.3Q214 R216 D260 S461Q214-S464 PolarHBondContact NE2-OG 2.88Å; Q214-S464 VanDerWaalsContact NE2-OG 3.1Å; Q214-S464 PolarHBondContact OE1-OG 3.02Å; R216-S464 PolarHBondContact NH1-O 3.5Å; R216-S464 PolarHBondContact NH2-O 3.09Å; D260-S464 WeakPolarHBondContact OD2-CB 3.24Å; S461-S464 VanDerWaalsContact O-CB 3.22Å; S461-S464 WeakPolarHBondContact O-CB 3.18Å; S461-S464 PolarHBondContact O-N 2.86Å; S461-S464 PolarHBondContact O-OG 3.31Å
465G89.6Confident92.9Very high17 Ų1752.2 Ų52.218%0.17526%0.261CS..  trans163.4159.5-176.700000110.8D260D260-G465 WeakPolarHBondContact CB-O 3.3Å; D260-G465 VanDerWaalsContact CG-C 3.4Å; D260-G465 WeakPolarHBondContact OD2-CA 3.5Å; D260-G465 PolarHBondContact OD2-N 2.86Å
466Y93.6Very high92.9Very high10 Ų1053.4 Ų53.44%0.03927%0.27CS..  trans-52.5147.2179.2173.5-91.2000111.6D260 W263 F537 F538 T567 F568D260-Y466 WeakPolarHBondContact O-CA 3.48Å; D260-Y466 VanDerWaalsContact O-CD2 3.24Å; D260-Y466 WeakPolarHBondContact O-CD2 3.29Å; W263-Y466 HydrophobicContact CH2-CD2 4.23Å; W263-Y466 AromaticContact CH2-CE2 3.64Å; W263-Y466 HydrophobicContact CH2-CE2 3.64Å; W263-Y466 HydrophobicContact CZ3-CE2 4.01Å; Y466-F537 PolarHBondContact OH-O 3.23Å; Y466-F538 HydrophobicContact CD2-CE1 4.22Å; Y466-F538 HydrophobicContact CE2-CD1 4.35Å; Y466-F538 HydrophobicContact CE2-CE1 4.13Å; Y466-T567 HydrophobicContact CD1-CG2 3.85Å; Y466-T567 HydrophobicContact CD2-CG2 3.59Å; Y466-T567 HydrophobicContact CE1-CG2 3.82Å; Y466-T567 HydrophobicContact CE2-CG2 3.55Å; Y466-T567 VanDerWaalsContact CG-CB 3.48Å; Y466-T567 HydrophobicContact CG-CG2 3.74Å; Y466-F568 HydrophobicContact CD1-CD2 4.33Å; Y466-F568 AromaticContact CD1-CE2 3.65Å; Y466-F568 HydrophobicContact CD1-CE2 3.65Å; Y466-F568 HydrophobicContact CD1-CZ 4.19Å; Y466-F568 HydrophobicContact CG-CE2 4.21Å; Y466-F568 HydrophobicContact CG-CZ 4.5Å; Y466-F568 WeakPolarHBondContact O-CZ 3.42Å
467R92.1Very high92.8Very high166 Ų16655.7 Ų55.763%0.62628%0.282SS*.  trans-128.2143.8167-62.7-169.4-179.1-162.9-1.3107.8R261 W263 F469R261-R467 HydrophobicContact CG-CB 4.28Å; W263-R467 WeakPolarHBondContact CH2-O 3.48Å; W263-R467 VanDerWaalsContact CZ2-O 3.27Å; W263-R467 WeakPolarHBondContact CZ2-O 3.26Å; R467-F469 PolarHBondContact O-N 3.36Å
468N94.1Very high92.9Very high47 Ų4756.3 Ų56.325%0.25129%0.288SS..  trans-48.2136.3175.6-78.6-19.5000111.7N429 D432 D470 K563N429-N468 WeakPolarHBondContact OD1-CB 3.44Å; D432-N468 VanDerWaalsContact OD2-CG 3.31Å; D432-N468 PolarHBondContact OD2-ND2 3.49Å; D432-N468 PolarHBondContact OD2-OD1 2.91Å; N468-D470 PolarHBondContact O-N 3.33Å; N468-K563 WeakPolarHBondContact OD1-CE 3.24Å; N468-K563 PolarHBondContact OD1-NZ 3.37Å
469F96Very high92.9Very high8 Ų856.6 Ų56.64%0.03529%0.289CS..  trans-55.4127.3179.2-178.5-101.5000110.7W263 I425 R467 A471 R472W263-F469 HydrophobicContact CB-CD2 4.43Å; W263-F469 HydrophobicContact CB-CE2 3.9Å; W263-F469 AromaticContact CD2-CD2 3.49Å; W263-F469 HydrophobicContact CD2-CD2 3.49Å; W263-F469 VanDerWaalsContact CD2-CD2 3.49Å; W263-F469 AromaticContact CD2-CE2 3.88Å; W263-F469 HydrophobicContact CD2-CE2 3.88Å; W263-F469 AromaticContact CE2-CD2 3.72Å; W263-F469 AromaticContact CE3-CD2 3.69Å; W263-F469 HydrophobicContact CE3-CD2 3.69Å; W263-F469 HydrophobicContact CE3-CE2 4.26Å; W263-F469 AromaticContact CG-CD2 3.83Å; W263-F469 HydrophobicContact CG-CD2 3.83Å; W263-F469 AromaticContact CG-CE2 3.7Å; W263-F469 HydrophobicContact CG-CE2 3.7Å; W263-F469 HydrophobicContact CH2-CB 4.29Å; W263-F469 HydrophobicContact CH2-CD2 4.34Å; W263-F469 HydrophobicContact CZ2-CB 4.32Å; W263-F469 HydrophobicContact CZ2-CD2 4.15Å; W263-F469 HydrophobicContact CZ3-CD2 4.11Å; I425-F469 HydrophobicContact CD1-CD1 3.82Å; I425-F469 HydrophobicContact CD1-CE1 3.9Å; I425-F469 HydrophobicContact CG1-CD1 4.23Å; I425-F469 HydrophobicContact CG2-CD1 4.37Å; R467-F469 PolarHBondContact O-N 3.36Å; F469-A471 WeakPolarHBondContact CE1-O 3.19Å; F469-A471 HydrophobicContact CE2-CB 3.84Å; F469-A471 HydrophobicContact CZ-CB 3.79Å; F469-A471 WeakPolarHBondContact CZ-O 3.4Å; F469-R472 WeakPolarHBondContact CZ-O 3.4Å
470D93.4Very high92.9Very high106 Ų10657.4 Ų57.457%0.56730%0.296SS*.  trans-134.516-168.772.4-27.7000112.9W263 K264 N468W263-D470 PolarHBondContact NE1-OD1 3.4Å; K264-D470 VanDerWaalsContact CE-OD1 3.29Å; K264-D470 WeakPolarHBondContact CE-OD1 3.43Å; K264-D470 VanDerWaalsContact NZ-CG 3.33Å; K264-D470 IonicContact NZ-OD1 3.27Å; K264-D470 PolarHBondContact NZ-OD1 3.16Å; K264-D470 IonicContact NZ-OD2 2.85Å; K264-D470 PolarHBondContact NZ-OD2 2.94Å; N468-D470 PolarHBondContact O-N 3.33Å
471A94.5Very high93.3Very high42 Ų4253.3 Ų53.335%0.34727%0.273SS..SBendtrans-114.7179.4-175.200000112.1W263 F469W263-A471 HydrophobicContact CG-CB 4.45Å; F469-A471 WeakPolarHBondContact CE1-O 3.19Å; F469-A471 HydrophobicContact CE2-CB 3.84Å; F469-A471 HydrophobicContact CZ-CB 3.79Å; F469-A471 WeakPolarHBondContact CZ-O 3.4Å
472R94.7Very high93.6Very high187 Ų18756 Ų5671%0.70628%0.282SS*.  trans-63.1133.7170.7175.8-173.8157.2167.1-5.7108.9F469 F474 E478F469-R472 WeakPolarHBondContact CZ-O 3.4Å; R472-F474 PolarHBondContact O-N 3.48Å; R472-E478 IonicContact CZ-OE1 3.87Å; R472-E478 IonicContact NE-OE1 2.87Å; R472-E478 IonicContact NH2-OE1 2.82Å; R472-E478 PolarHBondContact NH2-OE1 3.07Å
473P95.8Very high94Very high18 Ų1861.6 Ų61.612%0.11731%0.305CS..  trans-45.8134.7171.1-30.937.4000112.5F421 L422 I425 C541F421-P473 HydrophobicContact CD1-CB 3.71Å; F421-P473 HydrophobicContact CD1-CG 3.81Å; F421-P473 HydrophobicContact CE1-CB 3.75Å; F421-P473 HydrophobicContact CE1-CG 4.08Å; L422-P473 HydrophobicContact CD2-CG 3.79Å; I425-P473 HydrophobicContact CD1-CG 4.27Å; P473-C541 HydrophobicContact CB-CB 4.45Å
474F96.5Very high94.4Very high4 Ų458 Ų582%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-97.5100.6173.3175.9-166000108R472 A476 E478 Y479 G539 I540 C541 Y610R472-F474 PolarHBondContact O-N 3.48Å; F474-A476 PolarHBondContact O-N 2.86Å; F474-E478 HydrophobicContact CD2-CB 4.26Å; F474-E478 HydrophobicContact CE2-CB 4.12Å; F474-Y479 HydrophobicContact CZ-CD1 4.29Å; F474-Y479 HydrophobicContact CZ-CG 4.41Å; F474-G539 PolarHBondContact N-O 3.35Å; F474-I540 HydrophobicContact CD1-CD1 3.4Å; F474-I540 VanDerWaalsContact CD1-CD1 3.4Å; F474-I540 HydrophobicContact CE1-CD1 3.66Å; F474-I540 HydrophobicContact CG-CD1 4.18Å; F474-I540 CarbonylContact O-C 3.6Å; F474-I540 WeakPolarHBondContact O-CA 3.45Å; F474-C541 PolarHBondContact O-N 3.33Å; F474-Y610 HydrophobicContact CB-CE1 4.01Å; F474-Y610 AromaticContact CD1-CD1 3.71Å; F474-Y610 HydrophobicContact CD1-CD1 3.71Å; F474-Y610 AromaticContact CD1-CE1 3.28Å; F474-Y610 HydrophobicContact CD1-CE1 3.28Å; F474-Y610 HydrophobicContact CD1-CE2 4.19Å; F474-Y610 HydrophobicContact CD1-CG 4.33Å; F474-Y610 AromaticContact CD1-CZ 3.55Å; F474-Y610 HydrophobicContact CE1-CD1 4.05Å; F474-Y610 HydrophobicContact CE1-CE1 4.09Å; F474-Y610 HydrophobicContact CE1-CG 4.43Å; F474-Y610 HydrophobicContact CG-CE1 4.02Å
475H96.1Very high94.7Very high34 Ų3457.4 Ų57.416%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-67.6130.6176.1-65.9-96.1000109.9T477 E478 C541 D543H475-T477 PolarHBondContact O-N 2.72Å; H475-T477 VanDerWaalsContact O-N 3.12Å; H475-E478 HydrophobicContact CB-CG 4Å; H475-E478 IonicContact CD2-OE1 2.94Å; H475-E478 VanDerWaalsContact O-CB 3.31Å; H475-E478 WeakPolarHBondContact O-CB 3.5Å; H475-E478 PolarHBondContact O-N 3.5Å; H475-C541 CarbonylContact C-O 3.41Å; H475-C541 WeakPolarHBondContact CA-O 3.35Å; H475-D543 IonicContact CE1-OD1 3.57Å; H475-D543 IonicContact CG-OD1 3.66Å; H475-D543 IonicContact ND1-OD1 2.67Å; H475-D543 PolarHBondContact ND1-OD1 2.96Å; H475-D543 IonicContact ND1-OD2 3.89Å
476A93.3Very high95.1Very high24 Ų2457.9 Ų57.920%0.19828%0.282CS..THydrogen-bonded Turntrans-61-22.8-178.100000112.5F474 Y479 S480 I540 C541F474-A476 PolarHBondContact O-N 2.86Å; A476-Y479 CarbonylContact O-C 3.33Å; A476-S480 WeakPolarHBondContact O-CA 3.37Å; A476-S480 PolarHBondContact O-N 2.71Å; A476-I540 HydrophobicContact CB-CG2 4.38Å; A476-C541 PolarHBondContact N-O 2.97Å
477T92.4Very high95.3Very high99 Ų9960.3 Ų60.361%0.60730%0.3SS*.THydrogen-bonded Turntrans-73.9-21.717353.50000113.8H475 Y479 D543H475-T477 PolarHBondContact O-N 2.72Å; H475-T477 VanDerWaalsContact O-N 3.12Å; T477-Y479 VanDerWaalsContact C-N 3.35Å; T477-D543 WeakPolarHBondContact CB-OD2 3.31Å; T477-D543 HydrophobicContact CG2-CB 4.46Å; T477-D543 WeakPolarHBondContact CG2-OD2 3.41Å; T477-D543 PolarHBondContact OG1-OD2 2.66Å
478E93.7Very high95.6Very high75 Ų7552.9 Ų52.935%0.3527%0.272SS..THydrogen-bonded Turntrans-71.9-30.1176.8-73.4174-175.300112.6R472 F474 H475 R613R472-E478 IonicContact CZ-OE1 3.87Å; R472-E478 IonicContact NE-OE1 2.87Å; R472-E478 IonicContact NH2-OE1 2.82Å; R472-E478 PolarHBondContact NH2-OE1 3.07Å; F474-E478 HydrophobicContact CD2-CB 4.26Å; F474-E478 HydrophobicContact CE2-CB 4.12Å; H475-E478 HydrophobicContact CB-CG 4Å; H475-E478 IonicContact CD2-OE1 2.94Å; H475-E478 VanDerWaalsContact O-CB 3.31Å; H475-E478 WeakPolarHBondContact O-CB 3.5Å; H475-E478 PolarHBondContact O-N 3.5Å; E478-R613 IonicContact OE2-NH1 3.43Å
479Y95.9Very high95.8Very high7 Ų750.7 Ų50.73%0.02726%0.26CS..SBendtrans-159.799.6175-176.6-86.2000108.9F474 A476 T477 E484 L488 L612 R613F474-Y479 HydrophobicContact CZ-CD1 4.29Å; F474-Y479 HydrophobicContact CZ-CG 4.41Å; A476-Y479 CarbonylContact O-C 3.33Å; T477-Y479 VanDerWaalsContact C-N 3.35Å; Y479-E484 VanDerWaalsContact CA-OE2 3.23Å; Y479-E484 WeakPolarHBondContact CA-OE2 3.38Å; Y479-E484 HydrophobicContact CD2-CB 3.83Å; Y479-E484 HydrophobicContact CD2-CG 4.31Å; Y479-E484 VanDerWaalsContact CD2-OE1 3.32Å; Y479-E484 WeakPolarHBondContact CD2-OE1 3.34Å; Y479-E484 HydrophobicContact CE1-CB 4.29Å; Y479-E484 HydrophobicContact CE2-CB 3.47Å; Y479-E484 VanDerWaalsContact CE2-CB 3.47Å; Y479-E484 HydrophobicContact CE2-CG 4.28Å; Y479-E484 HydrophobicContact CG-CB 4.39Å; Y479-E484 PolarHBondContact OH-O 2.68Å; Y479-L488 WeakPolarHBondContact OH-CD2 3.39Å; Y479-L612 HydrophobicContact CE1-CB 3.98Å; Y479-L612 WeakPolarHBondContact OH-CB 3.47Å; Y479-R613 HydrophobicContact CD1-CB 3.89Å; Y479-R613 HydrophobicContact CD1-CG 4.46Å; Y479-R613 HydrophobicContact CD2-CB 3.99Å; Y479-R613 HydrophobicContact CD2-CG 3.9Å; Y479-R613 HydrophobicContact CE1-CB 4.14Å; Y479-R613 HydrophobicContact CE2-CB 4.23Å; Y479-R613 HydrophobicContact CE2-CG 4.48Å; Y479-R613 HydrophobicContact CG-CB 3.82Å; Y479-R613 HydrophobicContact CG-CG 3.89Å
480S95.2Very high95.9Very high30 Ų3052 Ų5221%0.2127%0.268CS..  trans-89.2146.6-174.178.80000111.9A476 Q482 E483 E484 G485A476-S480 WeakPolarHBondContact O-CA 3.37Å; A476-S480 PolarHBondContact O-N 2.71Å; S480-Q482 VanDerWaalsContact C-N 3.33Å; S480-Q482 PolarHBondContact O-N 2.54Å; S480-E483 VanDerWaalsContact OG-CB 3.27Å; S480-E483 WeakPolarHBondContact OG-CB 3.28Å; S480-E483 WeakPolarHBondContact OG-CG 3.46Å; S480-E483 PolarHBondContact OG-N 3.16Å; S480-E483 VanDerWaalsContact OG-N 3.11Å; S480-E484 PolarHBondContact N-OE2 3.34Å; S480-E484 PolarHBondContact O-N 2.91Å; S480-G485 PolarHBondContact O-N 3.48Å
481W96.4Very high96.1Very high15 Ų1554.4 Ų54.46%0.05727%0.269CS..Iπ-helixtrans-61-42.6174.3171.8-101.5000111.6G485 L486 L500 D501 F504 Q605 L608 L612W481-G485 CarbonylContact O-C 3.57Å; W481-G485 WeakPolarHBondContact O-CA 3.25Å; W481-G485 PolarHBondContact O-N 3.46Å; W481-L486 HydrophobicContact CZ2-CB 4.13Å; W481-L486 WeakPolarHBondContact O-CB 3.4Å; W481-L486 PolarHBondContact O-N 2.76Å; W481-L500 HydrophobicContact CH2-CB 3.83Å; W481-L500 HydrophobicContact CH2-CD1 3.97Å; W481-L500 HydrophobicContact CZ2-CB 3.75Å; W481-D501 HydrophobicContact CZ2-CB 4.21Å; W481-D501 PolarHBondContact NE1-OD1 3.3Å; W481-F504 HydrophobicContact CD2-CD2 4.35Å; W481-F504 HydrophobicContact CD2-CE2 4.32Å; W481-F504 AromaticContact CE2-CD2 3.76Å; W481-F504 AromaticContact CE2-CE2 3.9Å; W481-F504 HydrophobicContact CE3-CE2 4.47Å; W481-F504 AromaticContact CH2-CE2 3.89Å; W481-F504 HydrophobicContact CH2-CE2 3.89Å; W481-F504 AromaticContact CZ2-CD2 3.88Å; W481-F504 HydrophobicContact CZ2-CD2 3.88Å; W481-F504 AromaticContact CZ2-CE2 3.69Å; W481-F504 HydrophobicContact CZ2-CE2 3.69Å; W481-F504 HydrophobicContact CZ3-CE2 4.27Å; W481-F504 AromaticContact NE1-CD2 3.9Å; W481-Q605 HydrophobicContact CB-CG 4.4Å; W481-Q605 HydrophobicContact CD2-CG 4.4Å; W481-Q605 HydrophobicContact CG-CG 4.3Å; W481-L608 HydrophobicContact CH2-CD1 4.45Å; W481-L608 HydrophobicContact CZ3-CB 4.25Å; W481-L608 HydrophobicContact CZ3-CD1 4.27Å; W481-L612 HydrophobicContact CE3-CD1 4.33Å; W481-L612 HydrophobicContact CZ3-CD1 3.68Å
482Q96.3Very high96.2Very high90 Ų9053 Ų5342%0.42126%0.255SS..Iπ-helixtrans-71.3-46.5-174-66.2-59.4-20.700113.3S480 P487 D501S480-Q482 VanDerWaalsContact C-N 3.33Å; S480-Q482 PolarHBondContact O-N 2.54Å; Q482-P487 WeakPolarHBondContact O-CD 3.48Å; Q482-D501 PolarHBondContact NE2-OD1 3.3Å
483E96Very high96.2Very high153 Ų15344.2 Ų44.272%0.71522%0.223SC*.Iπ-helixtrans-84.9-29.3-173.3-58.3-63.2153.600112.8S480S480-E483 VanDerWaalsContact OG-CB 3.27Å; S480-E483 WeakPolarHBondContact OG-CB 3.28Å; S480-E483 WeakPolarHBondContact OG-CG 3.46Å; S480-E483 PolarHBondContact OG-N 3.16Å; S480-E483 VanDerWaalsContact OG-N 3.11Å
484E96.8Very high96.2Very high74 Ų7448 Ų4835%0.34625%0.246SC..Iπ-helixtrans-124.7-46.4-170.4-63.9153.199.500112.9Y479 S480 L488Y479-E484 VanDerWaalsContact CA-OE2 3.23Å; Y479-E484 WeakPolarHBondContact CA-OE2 3.38Å; Y479-E484 HydrophobicContact CD2-CB 3.83Å; Y479-E484 HydrophobicContact CD2-CG 4.31Å; Y479-E484 VanDerWaalsContact CD2-OE1 3.32Å; Y479-E484 WeakPolarHBondContact CD2-OE1 3.34Å; Y479-E484 HydrophobicContact CE1-CB 4.29Å; Y479-E484 HydrophobicContact CE2-CB 3.47Å; Y479-E484 VanDerWaalsContact CE2-CB 3.47Å; Y479-E484 HydrophobicContact CE2-CG 4.28Å; Y479-E484 HydrophobicContact CG-CB 4.39Å; Y479-E484 PolarHBondContact OH-O 2.68Å; S480-E484 PolarHBondContact N-OE2 3.34Å; S480-E484 PolarHBondContact O-N 2.91Å; E484-L488 WeakPolarHBondContact O-CB 3.2Å; E484-L488 PolarHBondContact O-N 3.11Å
485G97.4Very high96.2Very high0 Ų053.4 Ų53.40%027%0.271CS..Iπ-helixtrans-64.5-55.7-176.400000113.4S480 W481 L488 A489S480-G485 PolarHBondContact O-N 3.48Å; W481-G485 CarbonylContact O-C 3.57Å; W481-G485 WeakPolarHBondContact O-CA 3.25Å; W481-G485 PolarHBondContact O-N 3.46Å; G485-L488 PolarHBondContact O-N 3.43Å; G485-A489 WeakPolarHBondContact O-CB 3.13Å; G485-A489 PolarHBondContact O-N 2.99Å
486L97.8Very high96.2Very high26 Ų2651.8 Ų51.814%0.13626%0.264CS..Hα-helixtrans-61.5-52.6-177.9176.5175.4000111.5W481 L488 A489 D490 D501W481-L486 HydrophobicContact CZ2-CB 4.13Å; W481-L486 WeakPolarHBondContact O-CB 3.4Å; W481-L486 PolarHBondContact O-N 2.76Å; L486-L488 VanDerWaalsContact C-N 3.27Å; L486-L488 PolarHBondContact O-N 2.69Å; L486-A489 PolarHBondContact O-N 2.95Å; L486-A489 VanDerWaalsContact O-N 3.14Å; L486-D490 PolarHBondContact O-N 3.46Å; L486-D501 HydrophobicContact CD1-CB 3.45Å; L486-D501 VanDerWaalsContact CD1-CB 3.45Å; L486-D501 VanDerWaalsContact CD1-CG 3.46Å; L486-D501 HydrophobicContact CG-CB 4.21Å
487P98Very high96.4Very high62 Ų6250.7 Ų50.740%0.40325%0.254SS..Hα-helixtrans-63.2-34.2179.9-23.735.7000112.5Q482 R491Q482-P487 WeakPolarHBondContact O-CD 3.48Å; P487-R491 VanDerWaalsContact O-CB 3.24Å; P487-R491 WeakPolarHBondContact O-CB 3.45Å; P487-R491 PolarHBondContact O-N 2.88Å
488L98Very high96.7Very high10 Ų1048.8 Ų48.85%0.05225%0.245CC..Hα-helixtrans-65.8-45.8174.6179.460000111.4Y479 E484 G485 L486 R491 L492 L612 V615Y479-L488 WeakPolarHBondContact OH-CD2 3.39Å; E484-L488 WeakPolarHBondContact O-CB 3.2Å; E484-L488 PolarHBondContact O-N 3.11Å; G485-L488 PolarHBondContact O-N 3.43Å; L486-L488 VanDerWaalsContact C-N 3.27Å; L486-L488 PolarHBondContact O-N 2.69Å; L488-R491 PolarHBondContact O-N 2.63Å; L488-L492 HydrophobicContact CD1-CD1 3.79Å; L488-L492 HydrophobicContact CD1-CG 3.99Å; L488-L492 HydrophobicContact CG-CD1 3.98Å; L488-L492 HydrophobicContact CG-CG 4.48Å; L488-L492 WeakPolarHBondContact O-CB 3.41Å; L488-L492 VanDerWaalsContact O-CG 3.28Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 3.02Å; L488-L612 HydrophobicContact CD2-CB 4.18Å; L488-L612 HydrophobicContact CD2-CD2 3.92Å; L488-L612 WeakPolarHBondContact CD2-O 3.23Å; L488-L612 HydrophobicContact CG-CD2 4.01Å; L488-V615 HydrophobicContact CD2-CB 4.41Å; L488-V615 HydrophobicContact CD2-CG1 4.26Å
489A98.1Very high96.9Very high0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-59.9-48.1178.300000111.3M292 G485 L486 R491 L492 C493 L612M292-A489 HydrophobicContact CE-CB 4.08Å; M292-A489 HydrophobicContact SD-CB 4.41Å; G485-A489 WeakPolarHBondContact O-CB 3.13Å; G485-A489 PolarHBondContact O-N 2.99Å; L486-A489 PolarHBondContact O-N 2.95Å; L486-A489 VanDerWaalsContact O-N 3.14Å; A489-R491 VanDerWaalsContact C-N 3.34Å; A489-R491 PolarHBondContact O-N 3.27Å; A489-L492 PolarHBondContact O-N 3.3Å; A489-C493 CarbonylContact O-C 3.35Å; A489-C493 PolarHBondContact O-N 3.48Å; A489-C493 VanDerWaalsContact O-O 3.06Å; A489-L612 HydrophobicContact CB-CD1 4.48Å
490D97.6Very high97.1Very high36 Ų3646.1 Ų46.119%0.19323%0.234CC..Hα-helixtrans-63.6-38177.9-83-18.6000112.8L486 L492 C493 E495 L496 G497 S498L486-D490 PolarHBondContact O-N 3.46Å; D490-L492 VanDerWaalsContact C-N 3.33Å; D490-L492 PolarHBondContact O-N 3.2Å; D490-C493 CarbonylContact O-C 3.57Å; D490-E495 WeakPolarHBondContact OD1-CA 3.27Å; D490-E495 PolarHBondContact OD1-N 3.23Å; D490-L496 PolarHBondContact OD1-N 3.38Å; D490-L496 VanDerWaalsContact OD1-N 3.09Å; D490-G497 VanDerWaalsContact OD1-CA 3.26Å; D490-G497 WeakPolarHBondContact OD1-CA 3.14Å; D490-G497 PolarHBondContact OD1-N 2.9Å; D490-S498 PolarHBondContact OD1-N 3.45Å; D490-S498 PolarHBondContact OD2-N 3.14Å; D490-S498 PolarHBondContact OD2-OG 2.79Å
491R97.2Very high97.2Very high156 Ų15645.1 Ų45.159%0.58923%0.226SC*.Hα-helixtrans-65.8-36.6176.3-179172.36290.6-8.8112.4P487 L488 A489P487-R491 VanDerWaalsContact O-CB 3.24Å; P487-R491 WeakPolarHBondContact O-CB 3.45Å; P487-R491 PolarHBondContact O-N 2.88Å; L488-R491 PolarHBondContact O-N 2.63Å; A489-R491 VanDerWaalsContact C-N 3.34Å; A489-R491 PolarHBondContact O-N 3.27Å
492L96.9Very high97.3Very high12 Ų1247.1 Ų47.16%0.06324%0.236CC..Hα-helixtrans-83.9-34.2-178.6-67.1179.4000112.3L288 S289 M292 L488 A489 D490 V615L288-L492 HydrophobicContact CB-CD2 3.79Å; S289-L492 WeakPolarHBondContact CA-O 3.45Å; S289-L492 WeakPolarHBondContact CB-O 3.09Å; S289-L492 PolarHBondContact OG-O 3.36Å; M292-L492 HydrophobicContact CB-CB 3.68Å; M292-L492 HydrophobicContact CB-CD1 4.2Å; M292-L492 HydrophobicContact CG-CB 3.85Å; M292-L492 HydrophobicContact CG-CD1 4.45Å; L488-L492 HydrophobicContact CD1-CD1 3.79Å; L488-L492 HydrophobicContact CD1-CG 3.99Å; L488-L492 HydrophobicContact CG-CD1 3.98Å; L488-L492 HydrophobicContact CG-CG 4.48Å; L488-L492 WeakPolarHBondContact O-CB 3.41Å; L488-L492 VanDerWaalsContact O-CG 3.28Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 3.02Å; A489-L492 PolarHBondContact O-N 3.3Å; D490-L492 VanDerWaalsContact C-N 3.33Å; D490-L492 PolarHBondContact O-N 3.2Å; L492-V615 HydrophobicContact CD1-CG1 3.82Å
493C95.7Very high97.4Very high3 Ų343 Ų432%0.0222%0.216CC..SBendtrans-144.6104.7-176.8-166.90000108.3L197 M292 A489 D490 E495 L496L197-C493 VanDerWaalsContact CD2-SG 3.58Å; M292-C493 HydrophobicContact CB-CB 4.15Å; M292-C493 HydrophobicContact CG-CB 3.78Å; A489-C493 CarbonylContact O-C 3.35Å; A489-C493 PolarHBondContact O-N 3.48Å; A489-C493 VanDerWaalsContact O-O 3.06Å; D490-C493 CarbonylContact O-C 3.57Å; C493-E495 PolarHBondContact O-N 3.42Å; C493-L496 HydrophobicContact CB-CB 3.95Å; C493-L496 HydrophobicContact CB-CD2 3.72Å; C493-L496 HydrophobicContact CB-CG 4.5Å; C493-L496 WeakPolarHBondContact O-CB 3.1Å; C493-L496 PolarHBondContact O-N 3.44Å; C493-L496 VanDerWaalsContact O-N 3.1Å
494T95.4Very high97.5Very high98 Ų9835.8 Ų35.860%0.60118%0.183SC*.THydrogen-bonded Turntrans-47.2131.5-170.9-520000112.6H191 L496H191-T494 PolarHBondContact CE1-O 2.8Å; H191-T494 PolarHBondContact NE2-O 2.77Å; T494-L496 PolarHBondContact O-N 3.08Å
495E95.8Very high97.6Very high118 Ų11837.9 Ų37.955%0.55119%0.188SC*.THydrogen-bonded Turntrans61.4-3.7178.5-66.5172.9-179.800116.4D490 C493 G497 S498 L499D490-E495 WeakPolarHBondContact OD1-CA 3.27Å; D490-E495 PolarHBondContact OD1-N 3.23Å; C493-E495 PolarHBondContact O-N 3.42Å; E495-G497 PolarHBondContact O-N 3.21Å; E495-S498 PolarHBondContact O-N 3.15Å; E495-L499 WeakPolarHBondContact O-CB 3.43Å; E495-L499 WeakPolarHBondContact O-CG 3.12Å; E495-L499 PolarHBondContact O-N 3.41Å
496L97.2Very high97.6Very high0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-65.2-44-175.9177.965.2000112.4L188 L192 M292 A296 D490 C493 T494 L499 L500L188-L496 HydrophobicContact CD1-CD1 3.86Å; L192-L496 HydrophobicContact CD2-CD1 3.61Å; L192-L496 HydrophobicContact CG-CD1 4.41Å; M292-L496 HydrophobicContact CE-CD2 3.6Å; M292-L496 HydrophobicContact CG-CD2 3.88Å; A296-L496 HydrophobicContact CB-CD1 3.9Å; A296-L496 HydrophobicContact CB-CD2 3.53Å; A296-L496 HydrophobicContact CB-CG 4.27Å; D490-L496 PolarHBondContact OD1-N 3.38Å; D490-L496 VanDerWaalsContact OD1-N 3.09Å; C493-L496 HydrophobicContact CB-CB 3.95Å; C493-L496 HydrophobicContact CB-CD2 3.72Å; C493-L496 HydrophobicContact CB-CG 4.5Å; C493-L496 WeakPolarHBondContact O-CB 3.1Å; C493-L496 PolarHBondContact O-N 3.44Å; C493-L496 VanDerWaalsContact O-N 3.1Å; T494-L496 PolarHBondContact O-N 3.08Å; L496-L499 PolarHBondContact O-N 3.27Å; L496-L500 HydrophobicContact CD1-CD1 4.02Å; L496-L500 HydrophobicContact CD1-CG 4.25Å; L496-L500 HydrophobicContact CD2-CD1 4.44Å; L496-L500 HydrophobicContact CG-CD1 3.83Å; L496-L500 HydrophobicContact CG-CG 4.49Å; L496-L500 WeakPolarHBondContact O-CB 3.43Å; L496-L500 WeakPolarHBondContact O-CD1 3.33Å; L496-L500 VanDerWaalsContact O-CG 3.25Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 3.46Å
497G97.5Very high97.6Very high0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-61.1-47.5177.100000110.8D490 E495 L499 L500 D501D490-G497 VanDerWaalsContact OD1-CA 3.26Å; D490-G497 WeakPolarHBondContact OD1-CA 3.14Å; D490-G497 PolarHBondContact OD1-N 2.9Å; E495-G497 PolarHBondContact O-N 3.21Å; G497-L499 PolarHBondContact O-N 2.76Å; G497-L500 PolarHBondContact O-N 3.14Å; G497-D501 VanDerWaalsContact O-CB 3.25Å; G497-D501 WeakPolarHBondContact O-CB 3.18Å; G497-D501 PolarHBondContact O-N 3.01Å
498S98.2Very high97.6Very high59 Ų5938.3 Ų38.341%0.41318%0.182SC..Hα-helixtrans-59.2-43.7177.7-70.20000112.8D490 E495 D501 E502D490-S498 PolarHBondContact OD1-N 3.45Å; D490-S498 PolarHBondContact OD2-N 3.14Å; D490-S498 PolarHBondContact OD2-OG 2.79Å; E495-S498 PolarHBondContact O-N 3.15Å; S498-D501 PolarHBondContact O-N 3.4Å; S498-E502 PolarHBondContact O-N 3.39Å
499L98.5Very high97.6Very high26 Ų2642.2 Ų42.214%0.13620%0.203CC..Hα-helixtrans-72-37.3178.4-72.2169.4000113.2K187 L188 H191 E495 L496 G497 D501 K503K187-L499 HydrophobicContact CB-CD2 4.12Å; L188-L499 HydrophobicContact CD1-CB 3.8Å; H191-L499 HydrophobicContact CB-CD1 3.49Å; H191-L499 VanDerWaalsContact CB-CD1 3.49Å; H191-L499 VanDerWaalsContact CD2-CD1 3.43Å; H191-L499 WeakPolarHBondContact CD2-CD1 3.07Å; H191-L499 VanDerWaalsContact CG-CD1 3.43Å; E495-L499 WeakPolarHBondContact O-CB 3.43Å; E495-L499 WeakPolarHBondContact O-CG 3.12Å; E495-L499 PolarHBondContact O-N 3.41Å; L496-L499 PolarHBondContact O-N 3.27Å; G497-L499 PolarHBondContact O-N 2.76Å; L499-D501 VanDerWaalsContact C-N 3.31Å; L499-K503 PolarHBondContact O-N 3.01Å
500L98.5Very high97.6Very high0 Ų042.5 Ų42.50%021%0.205CC..Hα-helixtrans-62.1-44.1172.4-78.5165.7000110.4L188 W481 L496 G497 K503 F504 L608L188-L500 HydrophobicContact CD1-CD2 4.19Å; L188-L500 HydrophobicContact CD1-CG 4.04Å; L188-L500 HydrophobicContact CD2-CD2 3.62Å; L188-L500 HydrophobicContact CD2-CG 4.34Å; W481-L500 HydrophobicContact CH2-CB 3.83Å; W481-L500 HydrophobicContact CH2-CD1 3.97Å; W481-L500 HydrophobicContact CZ2-CB 3.75Å; L496-L500 HydrophobicContact CD1-CD1 4.02Å; L496-L500 HydrophobicContact CD1-CG 4.25Å; L496-L500 HydrophobicContact CD2-CD1 4.44Å; L496-L500 HydrophobicContact CG-CD1 3.83Å; L496-L500 HydrophobicContact CG-CG 4.49Å; L496-L500 WeakPolarHBondContact O-CB 3.43Å; L496-L500 WeakPolarHBondContact O-CD1 3.33Å; L496-L500 VanDerWaalsContact O-CG 3.25Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 3.46Å; G497-L500 PolarHBondContact O-N 3.14Å; L500-K503 PolarHBondContact O-N 3.24Å; L500-F504 HydrophobicContact CB-CD2 4.41Å; L500-F504 HydrophobicContact CB-CE2 3.88Å; L500-F504 HydrophobicContact CB-CZ 4.31Å; L500-F504 HydrophobicContact CD2-CE2 4.39Å; L500-F504 HydrophobicContact CD2-CZ 3.99Å; L500-F504 WeakPolarHBondContact O-CD2 3.42Å; L500-F504 WeakPolarHBondContact O-CG 3.47Å; L500-F504 PolarHBondContact O-N 3Å; L500-L608 HydrophobicContact CD1-CD1 3.88Å; L500-L608 HydrophobicContact CD2-CD1 4.09Å
501D98.4Very high97.5Very high9 Ų942.7 Ų42.75%0.04821%0.207CC..Hα-helixtrans-64.9-44.8178.7-178.369.7000112.9W481 Q482 L486 G497 S498 L499 K503 F504 R505W481-D501 HydrophobicContact CZ2-CB 4.21Å; W481-D501 PolarHBondContact NE1-OD1 3.3Å; Q482-D501 PolarHBondContact NE2-OD1 3.3Å; L486-D501 HydrophobicContact CD1-CB 3.45Å; L486-D501 VanDerWaalsContact CD1-CB 3.45Å; L486-D501 VanDerWaalsContact CD1-CG 3.46Å; L486-D501 HydrophobicContact CG-CB 4.21Å; G497-D501 VanDerWaalsContact O-CB 3.25Å; G497-D501 WeakPolarHBondContact O-CB 3.18Å; G497-D501 PolarHBondContact O-N 3.01Å; S498-D501 PolarHBondContact O-N 3.4Å; L499-D501 VanDerWaalsContact C-N 3.31Å; D501-K503 PolarHBondContact O-N 3.24Å; D501-F504 PolarHBondContact O-N 3.33Å; D501-R505 WeakPolarHBondContact O-CB 3.46Å; D501-R505 PolarHBondContact O-N 3.2Å; D501-R505 IonicContact OD1-NE 3.33Å; D501-R505 IonicContact OD2-CZ 2.71Å; D501-R505 VanDerWaalsContact OD2-CZ 3.27Å; D501-R505 IonicContact OD2-NE 2.82Å; D501-R505 PolarHBondContact OD2-NE 3.38Å; D501-R505 IonicContact OD2-NH2 3.01Å; D501-R505 PolarHBondContact OD2-NH2 3.39Å
502E98.4Very high97.5Very high58 Ų5839.4 Ų39.427%0.27120%0.196SC..Hα-helixtrans-53.6-45.9173.1-173.9-172.6158.400110.6C184 K187 S498 N506C184-E502 PolarHBondContact SG-OE1 3.48Å; C184-E502 VanDerWaalsContact SG-OE1 3.39Å; K187-E502 IonicContact NZ-OE1 3.87Å; K187-E502 PolarHBondContact NZ-OE1 2.9Å; K187-E502 VanDerWaalsContact NZ-OE1 3.14Å; S498-E502 PolarHBondContact O-N 3.39Å; E502-N506 VanDerWaalsContact O-CB 3.23Å; E502-N506 WeakPolarHBondContact O-CB 3.4Å; E502-N506 PolarHBondContact O-N 3.46Å
503K98.3Very high97.4Very high2 Ų242.6 Ų42.61%0.00921%0.213CC..Hα-helixtrans-67.5-43.4178.3-174.7170.36374.20113Y181 C184 L188 L499 L500 D501 N506 A507 E601Y181-K503 HydrophobicContact CE2-CD 4.32Å; Y181-K503 HydrophobicContact CE2-CG 3.85Å; C184-K503 HydrophobicContact CB-CB 4.26Å; C184-K503 HydrophobicContact CB-CG 4.5Å; L188-K503 HydrophobicContact CD2-CD 4.18Å; L499-K503 PolarHBondContact O-N 3.01Å; L500-K503 PolarHBondContact O-N 3.24Å; D501-K503 PolarHBondContact O-N 3.24Å; K503-N506 PolarHBondContact O-N 2.96Å; K503-A507 PolarHBondContact O-N 3.37Å; K503-E601 WeakPolarHBondContact CD-OE1 3.42Å; K503-E601 IonicContact NZ-OE1 3.64Å; K503-E601 PolarHBondContact NZ-OE1 3.25Å; K503-E601 IonicContact NZ-OE2 3.65Å; K503-E601 PolarHBondContact NZ-OE2 3.07Å
504F98.5Very high97.4Very high3 Ų344.4 Ų44.41%0.01322%0.224CC..Hα-helixtrans-62.9-48.4178.1-65.4-34.7000111.4W481 L500 D501 A507 Y508 W531 E601 Q604 Q605 L608W481-F504 HydrophobicContact CD2-CD2 4.35Å; W481-F504 HydrophobicContact CD2-CE2 4.32Å; W481-F504 AromaticContact CE2-CD2 3.76Å; W481-F504 AromaticContact CE2-CE2 3.9Å; W481-F504 HydrophobicContact CE3-CE2 4.47Å; W481-F504 AromaticContact CH2-CE2 3.89Å; W481-F504 HydrophobicContact CH2-CE2 3.89Å; W481-F504 AromaticContact CZ2-CD2 3.88Å; W481-F504 HydrophobicContact CZ2-CD2 3.88Å; W481-F504 AromaticContact CZ2-CE2 3.69Å; W481-F504 HydrophobicContact CZ2-CE2 3.69Å; W481-F504 HydrophobicContact CZ3-CE2 4.27Å; W481-F504 AromaticContact NE1-CD2 3.9Å; L500-F504 HydrophobicContact CB-CD2 4.41Å; L500-F504 HydrophobicContact CB-CE2 3.88Å; L500-F504 HydrophobicContact CB-CZ 4.31Å; L500-F504 HydrophobicContact CD2-CE2 4.39Å; L500-F504 HydrophobicContact CD2-CZ 3.99Å; L500-F504 WeakPolarHBondContact O-CD2 3.42Å; L500-F504 WeakPolarHBondContact O-CG 3.47Å; L500-F504 PolarHBondContact O-N 3Å; D501-F504 PolarHBondContact O-N 3.33Å; F504-A507 PolarHBondContact O-N 3.02Å; F504-Y508 WeakPolarHBondContact O-CB 3.43Å; F504-Y508 PolarHBondContact O-N 3.31Å; F504-W531 HydrophobicContact CB-CH2 4.33Å; F504-W531 HydrophobicContact CD1-CH2 4.46Å; F504-E601 HydrophobicContact CD1-CB 4.17Å; F504-E601 WeakPolarHBondContact CD1-OE2 3.42Å; F504-E601 WeakPolarHBondContact CE1-OE2 3.35Å; F504-Q604 HydrophobicContact CE1-CB 3.99Å; F504-Q604 HydrophobicContact CE1-CG 4.28Å; F504-Q604 HydrophobicContact CZ-CB 4.3Å; F504-Q604 HydrophobicContact CZ-CG 4.2Å; F504-Q605 HydrophobicContact CD1-CB 4.31Å; F504-Q605 HydrophobicContact CD2-CB 4.27Å; F504-Q605 HydrophobicContact CD2-CG 4.11Å; F504-Q605 HydrophobicContact CE1-CB 4.13Å; F504-Q605 HydrophobicContact CE2-CB 4.05Å; F504-Q605 HydrophobicContact CE2-CG 4.08Å; F504-Q605 HydrophobicContact CG-CB 4.41Å; F504-Q605 HydrophobicContact CZ-CB 4Å; F504-L608 HydrophobicContact CE2-CD1 4.17Å; F504-L608 HydrophobicContact CZ-CD1 3.82Å
505R98.2Very high97.4Very high117 Ų11740 Ų4044%0.44220%0.196SC..Hα-helixtrans-62.6-44.7176.5-75.5-169.4-70.8105.64.3111.4D501 A507 Y508 D509D501-R505 WeakPolarHBondContact O-CB 3.46Å; D501-R505 PolarHBondContact O-N 3.2Å; D501-R505 IonicContact OD1-NE 3.33Å; D501-R505 IonicContact OD2-CZ 2.71Å; D501-R505 VanDerWaalsContact OD2-CZ 3.27Å; D501-R505 IonicContact OD2-NE 2.82Å; D501-R505 PolarHBondContact OD2-NE 3.38Å; D501-R505 IonicContact OD2-NH2 3.01Å; D501-R505 PolarHBondContact OD2-NH2 3.39Å; R505-A507 PolarHBondContact O-N 3.42Å; R505-Y508 PolarHBondContact O-N 2.66Å; R505-D509 VanDerWaalsContact O-CB 3.27Å; R505-D509 WeakPolarHBondContact O-CB 3.38Å; R505-D509 PolarHBondContact O-N 3.34Å
506N98.1Very high97.3Very high31 Ų3135.9 Ų35.917%0.16618%0.178CC..Hα-helixtrans-56.4-51.6177-175-85.1000111Y181 E502 K503 Y508 D509 L510Y181-N506 WeakPolarHBondContact CA-OD1 3.44Å; Y181-N506 WeakPolarHBondContact CB-OD1 3.25Å; Y181-N506 PolarHBondContact N-OD1 3.19Å; E502-N506 VanDerWaalsContact O-CB 3.23Å; E502-N506 WeakPolarHBondContact O-CB 3.4Å; E502-N506 PolarHBondContact O-N 3.46Å; K503-N506 PolarHBondContact O-N 2.96Å; N506-Y508 VanDerWaalsContact C-N 3.32Å; N506-Y508 PolarHBondContact O-N 3.42Å; N506-D509 PolarHBondContact O-N 3.42Å; N506-L510 WeakPolarHBondContact O-CA 3.48Å; N506-L510 WeakPolarHBondContact O-CB 3.43Å; N506-L510 PolarHBondContact O-N 3.07Å
507A98Very high96.9Very high0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-65.6-32.7179.600000114.2Y181 K503 F504 R505 W531 E601Y181-A507 HydrophobicContact CD2-CB 3.89Å; Y181-A507 HydrophobicContact CE2-CB 3.89Å; K503-A507 PolarHBondContact O-N 3.37Å; F504-A507 PolarHBondContact O-N 3.02Å; R505-A507 PolarHBondContact O-N 3.42Å; A507-W531 HydrophobicContact CB-CZ3 4.5Å; A507-E601 HydrophobicContact CB-CB 4.01Å; A507-E601 HydrophobicContact CB-CG 3.56Å
508Y97.6Very high96.7Very high67 Ų6740.5 Ų40.526%0.26322%0.216SC..Hα-helixtrans-72.8-46.1177.7-175.8-92000111.4F504 R505 N506 R527 R528 W531F504-Y508 WeakPolarHBondContact O-CB 3.43Å; F504-Y508 PolarHBondContact O-N 3.31Å; R505-Y508 PolarHBondContact O-N 2.66Å; N506-Y508 VanDerWaalsContact C-N 3.32Å; N506-Y508 PolarHBondContact O-N 3.42Å; Y508-R527 PolarHBondContact O-NH1 2.93Å; Y508-R528 WeakPolarHBondContact OH-CG 3.48Å; Y508-W531 HydrophobicContact CD2-CB 4.07Å; Y508-W531 AromaticContact CD2-CD2 3.59Å; Y508-W531 HydrophobicContact CD2-CD2 3.59Å; Y508-W531 AromaticContact CD2-CE3 3.81Å; Y508-W531 HydrophobicContact CD2-CE3 3.81Å; Y508-W531 AromaticContact CD2-CG 3.7Å; Y508-W531 HydrophobicContact CD2-CG 3.7Å; Y508-W531 HydrophobicContact CD2-CZ3 4.42Å; Y508-W531 HydrophobicContact CE2-CB 3.97Å; Y508-W531 HydrophobicContact CE2-CD2 4.24Å; Y508-W531 AromaticContact CE2-CG 3.86Å; Y508-W531 HydrophobicContact CE2-CG 3.86Å
509D97.4Very high96.5Very high91 Ų9144.5 Ų44.549%0.48723%0.228SC..Hα-helixtrans-87.1-19.8-173.2-68-37.2000113.8R505 N506 T511 R527R505-D509 VanDerWaalsContact O-CB 3.27Å; R505-D509 WeakPolarHBondContact O-CB 3.38Å; R505-D509 PolarHBondContact O-N 3.34Å; N506-D509 PolarHBondContact O-N 3.42Å; D509-T511 PolarHBondContact O-N 3.17Å; D509-R527 PolarHBondContact O-NH1 3.28Å
510L97.6Very high96.3Very high6 Ų650.4 Ų50.43%0.03126%0.26CS..  trans-50.7128-178.4-178.866.7000109.8H178 E180 N506 Y512 R527 H594H178-L510 HydrophobicContact CB-CD2 3.98Å; E180-L510 HydrophobicContact CB-CD1 4.35Å; E180-L510 WeakPolarHBondContact OE2-CD1 3.46Å; N506-L510 WeakPolarHBondContact O-CA 3.48Å; N506-L510 WeakPolarHBondContact O-CB 3.43Å; N506-L510 PolarHBondContact O-N 3.07Å; L510-Y512 HydrophobicContact CD1-CE1 4.36Å; L510-R527 WeakPolarHBondContact O-CD 3.4Å; L510-H594 PolarHBondContact O-CE1 3.03Å; L510-H594 PolarHBondContact O-NE2 3.42Å
511T96.7Very high96.1Very high41 Ų4150.7 Ų50.725%0.25226%0.262SS..  trans-159.5137.1175.9179.60000109.1D509 N513D509-T511 PolarHBondContact O-N 3.17Å; T511-N513 VanDerWaalsContact C-N 3.31Å; T511-N513 WeakPolarHBondContact CG2-OD1 3.36Å; T511-N513 PolarHBondContact OG1-N 2.9Å; T511-N513 PolarHBondContact OG1-OD1 2.89Å
512Y95.6Very high96Very high87 Ų8754.4 Ų54.434%0.34128%0.282SS..  trans-95.66.2168.5-55.8-65.7000111.7H178 L510 T514H178-Y512 AromaticContact CE1-CE2 3.77Å; H178-Y512 AromaticContact ND1-CE2 3.4Å; H178-Y512 WeakPolarHBondContact ND1-CE2 3.49Å; H178-Y512 AromaticContact ND1-CZ 3.68Å; H178-Y512 PolarHBondContact ND1-OH 3.2Å; L510-Y512 HydrophobicContact CD1-CE1 4.36Å; Y512-T514 WeakPolarHBondContact O-CG2 3.48Å; Y512-T514 PolarHBondContact O-N 3.14Å
513N96.6Very high95.9Very high79 Ų7952.3 Ų52.342%0.42227%0.273SS..SBendtrans52.640.7-171.8-55.7-48.9000112T511 Q519 N520 V521T511-N513 VanDerWaalsContact C-N 3.31Å; T511-N513 WeakPolarHBondContact CG2-OD1 3.36Å; T511-N513 PolarHBondContact OG1-N 2.9Å; T511-N513 PolarHBondContact OG1-OD1 2.89Å; N513-Q519 CarbonylContact O-C 3.54Å; N513-N520 PolarHBondContact O-N 3.36Å; N513-V521 CarbonylContact C-O 3.44Å; N513-V521 WeakPolarHBondContact CA-O 3.23Å; N513-V521 PolarHBondContact O-N 3.45Å
514T95.6Very high95.8Very high41 Ų4154.2 Ų54.225%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-126.5156.7179.3610000112.4Y512 I518 Q519Y512-T514 WeakPolarHBondContact O-CG2 3.48Å; Y512-T514 PolarHBondContact O-N 3.14Å; T514-I518 CarbonylContact C-O 3.56Å; T514-I518 WeakPolarHBondContact CA-O 3.4Å; T514-I518 WeakPolarHBondContact CB-O 3.42Å; T514-Q519 HydrophobicContact CG2-CG 4.41Å
515L95.6Very high95.7Very high5 Ų554.4 Ų54.43%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-139.5103.3164.5-174.164.7000109.7A395 L398 L399 G517 I518 V521 L587 E591A395-L515 HydrophobicContact CB-CD2 4.41Å; A395-L515 HydrophobicContact CB-CG 4.14Å; A395-L515 VanDerWaalsContact O-CD2 3.25Å; A395-L515 WeakPolarHBondContact O-CD2 3.49Å; L398-L515 HydrophobicContact CB-CD2 4.23Å; L398-L515 HydrophobicContact CD2-CD1 4.23Å; L398-L515 HydrophobicContact CD2-CD2 4.31Å; L398-L515 HydrophobicContact CG-CD2 4.23Å; L399-L515 HydrophobicContact CB-CD2 3.99Å; L515-G517 VanDerWaalsContact C-N 3.32Å; L515-G517 PolarHBondContact O-N 3.3Å; L515-I518 PolarHBondContact N-O 2.8Å; L515-I518 VanDerWaalsContact O-CB 3.28Å; L515-I518 WeakPolarHBondContact O-CB 3.49Å; L515-I518 WeakPolarHBondContact O-CG1 3.4Å; L515-I518 PolarHBondContact O-N 3.47Å; L515-V521 HydrophobicContact CB-CB 4.5Å; L515-V521 HydrophobicContact CB-CG1 4.15Å; L515-V521 HydrophobicContact CB-CG2 4.44Å; L515-L587 HydrophobicContact CD1-CD2 3.51Å; L515-E591 WeakPolarHBondContact CA-OE1 3.44Å
516N92.9Very high95.6Very high31 Ų3149.3 Ų49.317%0.16627%0.268CS..THydrogen-bonded Turntrans4552.7-179.4-16428.7000113.3G391 A395 I518 A586 S588 E591G391-N516 PolarHBondContact O-ND2 3.08Å; A395-N516 HydrophobicContact CB-CB 3.75Å; N516-I518 VanDerWaalsContact C-N 3.33Å; N516-I518 PolarHBondContact O-N 2.7Å; N516-A586 VanDerWaalsContact CB-O 3.25Å; N516-A586 WeakPolarHBondContact CB-O 3.47Å; N516-S588 WeakPolarHBondContact OD1-CB 3.24Å; N516-E591 WeakPolarHBondContact CA-OE2 3.06Å; N516-E591 VanDerWaalsContact N-CD 3.31Å; N516-E591 PolarHBondContact N-OE1 3.24Å; N516-E591 PolarHBondContact N-OE2 3.26Å
517G88.8Confident95.6Very high58 Ų5848.8 Ų48.860%0.59826%0.264SS*.THydrogen-bonded Turntrans86.5-12.2-179.900000115.5L515L515-G517 VanDerWaalsContact C-N 3.32Å; L515-G517 PolarHBondContact O-N 3.3Å
518I93.3Very high95.6Very high39 Ų3951.5 Ų51.520%0.227%0.274CS..EExtended strand (participates in β ladder)trans-72.9126.7167.9-52.9171.8000107.6A395 S396 L399 T514 L515 N516 V521A395-I518 HydrophobicContact CB-CD1 3.83Å; S396-I518 WeakPolarHBondContact OG-CD1 3.5Å; L399-I518 HydrophobicContact CD2-CG2 4.14Å; T514-I518 CarbonylContact C-O 3.56Å; T514-I518 WeakPolarHBondContact CA-O 3.4Å; T514-I518 WeakPolarHBondContact CB-O 3.42Å; L515-I518 PolarHBondContact N-O 2.8Å; L515-I518 VanDerWaalsContact O-CB 3.28Å; L515-I518 WeakPolarHBondContact O-CB 3.49Å; L515-I518 WeakPolarHBondContact O-CG1 3.4Å; L515-I518 PolarHBondContact O-N 3.47Å; N516-I518 VanDerWaalsContact C-N 3.33Å; N516-I518 PolarHBondContact O-N 2.7Å; I518-V521 HydrophobicContact CB-CG2 4.16Å; I518-V521 HydrophobicContact CG2-CG2 3.62Å
519Q94.1Very high95.6Very high143 Ų14348.3 Ų48.367%0.66826%0.262SS*.EExtended strand (participates in β ladder)trans-99.8164.4-178.1-63-177-12.800112.1N513 T514 V521N513-Q519 CarbonylContact O-C 3.54Å; T514-Q519 HydrophobicContact CG2-CG 4.41Å; Q519-V521 VanDerWaalsContact C-N 3.33Å
520N94.6Very high95.7Very high151 Ų15144 Ų4481%0.80724%0.238SC*.SBendtrans59.641.2179.5-52.6-52.7000113N513N513-N520 PolarHBondContact O-N 3.36Å
521V94Very high95.7Very high6 Ų644 Ų444%0.03624%0.238CC..  trans-105.7128.1179.9172.90000109.7L399 N513 L515 I518 Q519 T523L399-V521 HydrophobicContact CD1-CB 4.31Å; L399-V521 HydrophobicContact CD1-CG1 3.39Å; L399-V521 HydrophobicContact CD1-CG2 4.07Å; L399-V521 HydrophobicContact CD2-CG2 3.77Å; N513-V521 CarbonylContact C-O 3.44Å; N513-V521 WeakPolarHBondContact CA-O 3.23Å; N513-V521 PolarHBondContact O-N 3.45Å; L515-V521 HydrophobicContact CB-CB 4.5Å; L515-V521 HydrophobicContact CB-CG1 4.15Å; L515-V521 HydrophobicContact CB-CG2 4.44Å; I518-V521 HydrophobicContact CB-CG2 4.16Å; I518-V521 HydrophobicContact CG2-CG2 3.62Å; Q519-V521 VanDerWaalsContact C-N 3.33Å; V521-T523 HydrophobicContact CG1-CG2 3.76Å
522D95.6Very high95.8Very high87 Ų8742.3 Ų42.347%0.46523%0.227SC..  trans-84.5120.4164.6-172.612000110.3S524D522-S524 WeakPolarHBondContact OD1-CB 3.29Å; D522-S524 PolarHBondContact OD1-N 3.37Å; D522-S524 PolarHBondContact OD1-OG 3.44Å; D522-S524 PolarHBondContact OD2-OG 3.33Å
523T96.1Very high95.9Very high13 Ų1338.1 Ų38.18%0.0821%0.211CC..  trans-109.18177.660.80000112.6V521 L525 Y526 R527V521-T523 HydrophobicContact CG1-CG2 3.76Å; T523-L525 VanDerWaalsContact C-N 3.3Å; T523-L525 PolarHBondContact O-N 3.21Å; T523-Y526 PolarHBondContact O-N 3.42Å; T523-R527 PolarHBondContact O-N 3.28Å; T523-R527 PolarHBondContact OG1-NE 3.12Å
524S96.4Very high96Very high42 Ų4234.4 Ų34.429%0.29419%0.191SC..Hα-helixtrans-47.9-49.3-17759.10000112.7D522 Y526 R527 R528D522-S524 WeakPolarHBondContact OD1-CB 3.29Å; D522-S524 PolarHBondContact OD1-N 3.37Å; D522-S524 PolarHBondContact OD1-OG 3.44Å; D522-S524 PolarHBondContact OD2-OG 3.33Å; S524-Y526 PolarHBondContact O-N 3.09Å; S524-R527 PolarHBondContact O-N 3.47Å; S524-R528 WeakPolarHBondContact O-CB 3.18Å; S524-R528 PolarHBondContact O-N 3.31Å
525L96.7Very high96.1Very high8 Ų832.6 Ų32.64%0.04218%0.18CC..Hα-helixtrans-61.1-43.5178.7173.657.6000112.8I402 E405 D406 W409 T523 T529 L553I402-L525 HydrophobicContact CG2-CB 4.46Å; E405-L525 HydrophobicContact CB-CD2 3.94Å; D406-L525 HydrophobicContact CB-CD2 3.82Å; W409-L525 HydrophobicContact CD2-CD1 4.22Å; W409-L525 HydrophobicContact CE3-CD1 3.61Å; W409-L525 HydrophobicContact CE3-CD2 3.97Å; W409-L525 HydrophobicContact CE3-CG 4.46Å; W409-L525 HydrophobicContact CH2-CD1 3.47Å; W409-L525 VanDerWaalsContact CH2-CD1 3.47Å; W409-L525 HydrophobicContact CZ2-CD1 4.08Å; W409-L525 HydrophobicContact CZ3-CD1 3.23Å; W409-L525 HydrophobicContact CZ3-CD2 4.05Å; W409-L525 HydrophobicContact CZ3-CG 4.22Å; T523-L525 VanDerWaalsContact C-N 3.3Å; T523-L525 PolarHBondContact O-N 3.21Å; L525-T529 WeakPolarHBondContact O-CB 3.39Å; L525-T529 PolarHBondContact O-N 2.74Å; L525-T529 PolarHBondContact O-OG1 2.93Å; L525-L553 HydrophobicContact CD1-CD1 4.03Å; L525-L553 HydrophobicContact CD2-CD1 4.06Å; L525-L553 HydrophobicContact CD2-CD2 4.49Å; L525-L553 HydrophobicContact CG-CD1 3.76Å
526Y97.1Very high96.3Very high10 Ų1032.4 Ų32.44%0.03918%0.179CC..Hα-helixtrans-66-44.8178.2-175.8-94.3000111.3L398 I402 T523 S524 T529 V530 L554 L587 V595L398-Y526 HydrophobicContact CD1-CD2 4.21Å; L398-Y526 HydrophobicContact CD1-CE2 4.14Å; L398-Y526 HydrophobicContact CD2-CE2 4.26Å; I402-Y526 HydrophobicContact CD1-CD2 4.38Å; I402-Y526 HydrophobicContact CD1-CG 4.29Å; T523-Y526 PolarHBondContact O-N 3.42Å; S524-Y526 PolarHBondContact O-N 3.09Å; Y526-T529 WeakPolarHBondContact O-CB 3.48Å; Y526-T529 PolarHBondContact O-N 3.34Å; Y526-V530 HydrophobicContact CD1-CG2 4.27Å; Y526-V530 HydrophobicContact CE1-CG2 3.91Å; Y526-V530 WeakPolarHBondContact O-CG2 3.45Å; Y526-V530 PolarHBondContact O-N 3.48Å; Y526-L554 HydrophobicContact CE2-CD2 3.63Å; Y526-L587 HydrophobicContact CE1-CD1 4.48Å; Y526-V595 HydrophobicContact CE1-CG2 4.5Å
527R97.9Very high96.5Very high20 Ų2031 Ų318%0.07517%0.171CC..Hα-helixtrans-61-48.1176.9-71.3-175.3-72.2121-4.7111.9Y508 D509 L510 T523 S524 T529 V530 W531 M598Y508-R527 PolarHBondContact O-NH1 2.93Å; D509-R527 PolarHBondContact O-NH1 3.28Å; L510-R527 WeakPolarHBondContact O-CD 3.4Å; T523-R527 PolarHBondContact O-N 3.28Å; T523-R527 PolarHBondContact OG1-NE 3.12Å; S524-R527 PolarHBondContact O-N 3.47Å; R527-T529 VanDerWaalsContact C-N 3.27Å; R527-T529 PolarHBondContact O-N 3.2Å; R527-V530 PolarHBondContact O-N 2.92Å; R527-W531 PolarHBondContact O-N 3.16Å; R527-M598 HydrophobicContact CB-CE 4.46Å; R527-M598 HydrophobicContact CB-SD 3.69Å; R527-M598 HydrophobicContact CG-CE 4.1Å; R527-M598 HydrophobicContact CG-SD 3.76Å
528R97.6Very high96.9Very high56 Ų5628.2 Ų28.221%0.21114%0.143CC..Hα-helixtrans-58-40.4174.7-176.9171.8-177.8-158.3-3.5111.9Y508 S524 W531 N532 D544 F545Y508-R528 WeakPolarHBondContact OH-CG 3.48Å; S524-R528 WeakPolarHBondContact O-CB 3.18Å; S524-R528 PolarHBondContact O-N 3.31Å; R528-W531 PolarHBondContact O-N 3.26Å; R528-N532 WeakPolarHBondContact O-CB 3.44Å; R528-N532 PolarHBondContact O-N 3.41Å; R528-D544 IonicContact CZ-OD2 2.69Å; R528-D544 PolarHBondContact NH2-O 3.13Å; R528-D544 IonicContact NH2-OD1 2.74Å; R528-D544 PolarHBondContact NH2-OD1 2.87Å; R528-D544 IonicContact NH2-OD2 3.16Å; R528-D544 PolarHBondContact NH2-OD2 2.88Å; R528-F545 HydrophobicContact CG-CD2 4.29Å; R528-F545 HydrophobicContact CG-CE2 4.3Å
529T98.1Very high97.1Very high0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-64.3-44.4176.8-60.40000111.9L525 Y526 R527 E533 F545 V550 L553 L554L525-T529 WeakPolarHBondContact O-CB 3.39Å; L525-T529 PolarHBondContact O-N 2.74Å; L525-T529 PolarHBondContact O-OG1 2.93Å; Y526-T529 WeakPolarHBondContact O-CB 3.48Å; Y526-T529 PolarHBondContact O-N 3.34Å; R527-T529 VanDerWaalsContact C-N 3.27Å; R527-T529 PolarHBondContact O-N 3.2Å; T529-E533 WeakPolarHBondContact O-CB 3.45Å; T529-E533 PolarHBondContact O-N 2.89Å; T529-F545 HydrophobicContact CG2-CZ 4.25Å; T529-V550 HydrophobicContact CG2-CB 4.42Å; T529-V550 HydrophobicContact CG2-CG1 4.13Å; T529-V550 HydrophobicContact CG2-CG2 4.28Å; T529-L553 HydrophobicContact CG2-CB 4.22Å; T529-L553 HydrophobicContact CG2-CD1 4.12Å; T529-L553 WeakPolarHBondContact OG1-CD1 3.35Å; T529-L554 HydrophobicContact CG2-CD1 3.84Å; T529-L554 HydrophobicContact CG2-CG 4.13Å
530V98.4Very high97.3Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-60.4-47.1175.1170.90000111.1Y526 R527 V534 L554 L562 V595 M598Y526-V530 HydrophobicContact CD1-CG2 4.27Å; Y526-V530 HydrophobicContact CE1-CG2 3.91Å; Y526-V530 WeakPolarHBondContact O-CG2 3.45Å; Y526-V530 PolarHBondContact O-N 3.48Å; R527-V530 PolarHBondContact O-N 2.92Å; V530-V534 WeakPolarHBondContact O-CG2 3.29Å; V530-V534 PolarHBondContact O-N 3.14Å; V530-L554 HydrophobicContact CG2-CD1 4.35Å; V530-L554 HydrophobicContact CG2-CD2 4.17Å; V530-L562 HydrophobicContact CG1-CD1 4.13Å; V530-L562 HydrophobicContact CG1-CD2 4.19Å; V530-L562 HydrophobicContact CG2-CD1 4.42Å; V530-V595 HydrophobicContact CG1-CG1 4.31Å; V530-M598 HydrophobicContact CB-CE 4.1Å; V530-M598 HydrophobicContact CG1-CB 4.18Å; V530-M598 HydrophobicContact CG1-CE 3.97Å; V530-M598 HydrophobicContact CG2-CE 4.39Å
531W98.6Very high97.5Very high8 Ų812.6 Ų12.63%0.036%0.064CC..Hα-helixtrans-60.5-52.5-179.6-172.4-84.3000112.1F504 A507 Y508 R527 R528 E533 V534 Q535 M598 E601 A602 Q605F504-W531 HydrophobicContact CB-CH2 4.33Å; F504-W531 HydrophobicContact CD1-CH2 4.46Å; A507-W531 HydrophobicContact CB-CZ3 4.5Å; Y508-W531 HydrophobicContact CD2-CB 4.07Å; Y508-W531 AromaticContact CD2-CD2 3.59Å; Y508-W531 HydrophobicContact CD2-CD2 3.59Å; Y508-W531 AromaticContact CD2-CE3 3.81Å; Y508-W531 HydrophobicContact CD2-CE3 3.81Å; Y508-W531 AromaticContact CD2-CG 3.7Å; Y508-W531 HydrophobicContact CD2-CG 3.7Å; Y508-W531 HydrophobicContact CD2-CZ3 4.42Å; Y508-W531 HydrophobicContact CE2-CB 3.97Å; Y508-W531 HydrophobicContact CE2-CD2 4.24Å; Y508-W531 AromaticContact CE2-CG 3.86Å; Y508-W531 HydrophobicContact CE2-CG 3.86Å; R527-W531 PolarHBondContact O-N 3.16Å; R528-W531 PolarHBondContact O-N 3.26Å; W531-E533 VanDerWaalsContact C-N 3.34Å; W531-E533 PolarHBondContact O-N 3.49Å; W531-V534 PolarHBondContact O-N 3.33Å; W531-Q535 PolarHBondContact O-N 3.25Å; W531-M598 HydrophobicContact CE3-CB 4.36Å; W531-E601 HydrophobicContact CH2-CB 3.67Å; W531-E601 HydrophobicContact CZ3-CB 3.61Å; W531-A602 HydrophobicContact CD2-CB 3.62Å; W531-A602 HydrophobicContact CE3-CB 3.85Å; W531-A602 HydrophobicContact CG-CB 4.02Å; W531-A602 HydrophobicContact CZ2-CB 4.29Å; W531-A602 HydrophobicContact CZ3-CB 4.3Å; W531-Q605 HydrophobicContact CZ2-CB 4.4Å
532N98.1Very high97.6Very high4 Ų413.9 Ų13.92%0.0217%0.07CC..Hα-helixtrans-69.6-33.3-176.2-70.85000111.9R528 Q535 S536 H542 F545R528-N532 WeakPolarHBondContact O-CB 3.44Å; R528-N532 PolarHBondContact O-N 3.41Å; N532-Q535 PolarHBondContact O-N 2.93Å; N532-S536 WeakPolarHBondContact O-CB 3.46Å; N532-S536 PolarHBondContact O-N 3.41Å; N532-H542 PolarHBondContact OD1-CD2 2.97Å; N532-F545 HydrophobicContact CB-CD1 3.88Å; N532-F545 HydrophobicContact CB-CD2 4.34Å; N532-F545 HydrophobicContact CB-CE1 3.82Å; N532-F545 HydrophobicContact CB-CE2 4.3Å; N532-F545 HydrophobicContact CB-CG 4.14Å; N532-F545 HydrophobicContact CB-CZ 4.05Å; N532-F545 WeakPolarHBondContact ND2-CB 3.46Å; N532-F545 WeakPolarHBondContact ND2-CD2 3.27Å; N532-F545 WeakPolarHBondContact ND2-CG 3.43Å
533E98.3Very high97.6Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-63.2-45.1172.6179.964177.700111N428 T529 W531 Q535 S536 F537 V550 L554 R559 L562N428-E533 PolarHBondContact OD1-OE1 3.22Å; T529-E533 WeakPolarHBondContact O-CB 3.45Å; T529-E533 PolarHBondContact O-N 2.89Å; W531-E533 VanDerWaalsContact C-N 3.34Å; W531-E533 PolarHBondContact O-N 3.49Å; E533-Q535 PolarHBondContact O-N 3.03Å; E533-S536 WeakPolarHBondContact O-CB 3.34Å; E533-S536 PolarHBondContact O-N 3.37Å; E533-S536 PolarHBondContact O-OG 2.92Å; E533-F537 HydrophobicContact CG-CE1 4.17Å; E533-F537 HydrophobicContact CG-CE2 4.39Å; E533-F537 HydrophobicContact CG-CZ 3.69Å; E533-F537 PolarHBondContact O-N 2.91Å; E533-F537 WeakPolarHBondContact OE1-CE1 3.44Å; E533-V550 HydrophobicContact CB-CG1 4.46Å; E533-V550 HydrophobicContact CG-CG1 4.3Å; E533-V550 WeakPolarHBondContact OE2-CG1 3.35Å; E533-L554 HydrophobicContact CB-CD1 4.31Å; E533-L554 HydrophobicContact CG-CD1 4.32Å; E533-R559 IonicContact OE1-CZ 3.78Å; E533-R559 IonicContact OE1-NE 2.8Å; E533-R559 PolarHBondContact OE1-NE 3.44Å; E533-R559 IonicContact OE1-NH2 3.22Å; E533-R559 PolarHBondContact OE1-NH2 3.35Å; E533-R559 IonicContact OE2-NH2 3.85Å; E533-L562 HydrophobicContact CG-CD1 4.27Å
534V98.5Very high97.5Very high0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-62-45.7176.7171.60000111.3V530 W531 S536 F537 F538 L562 I599 A602V530-V534 WeakPolarHBondContact O-CG2 3.29Å; V530-V534 PolarHBondContact O-N 3.14Å; W531-V534 PolarHBondContact O-N 3.33Å; V534-S536 VanDerWaalsContact C-N 3.26Å; V534-S536 PolarHBondContact O-N 2.99Å; V534-F537 HydrophobicContact CG2-CE2 4.31Å; V534-F537 WeakPolarHBondContact O-CB 3.45Å; V534-F537 WeakPolarHBondContact O-CD2 3.09Å; V534-F537 PolarHBondContact O-N 2.92Å; V534-F538 WeakPolarHBondContact O-CD2 3.5Å; V534-L562 HydrophobicContact CG2-CB 4.16Å; V534-L562 HydrophobicContact CG2-CD1 4.5Å; V534-I599 HydrophobicContact CG1-CG2 4.44Å; V534-I599 HydrophobicContact CG2-CB 4.38Å; V534-I599 HydrophobicContact CG2-CG1 4Å; V534-I599 HydrophobicContact CG2-CG2 4.31Å; V534-A602 HydrophobicContact CB-CB 3.92Å; V534-A602 HydrophobicContact CG1-CB 3.74Å
535Q98.3Very high97.4Very high4 Ų412.4 Ų12.42%0.0196%0.058CC..Hα-helixtrans-65.4-29.5177.9-68.3-159-15.100112.8W531 N532 E533 F537 F538 G539 I540 H542 A602 A606W531-Q535 PolarHBondContact O-N 3.25Å; N532-Q535 PolarHBondContact O-N 2.93Å; E533-Q535 PolarHBondContact O-N 3.03Å; Q535-F537 VanDerWaalsContact C-N 3.26Å; Q535-F537 PolarHBondContact O-N 2.76Å; Q535-F538 CarbonylContact O-C 3.57Å; Q535-F538 WeakPolarHBondContact O-CA 3.47Å; Q535-F538 PolarHBondContact O-N 2.87Å; Q535-G539 PolarHBondContact O-N 3.18Å; Q535-I540 HydrophobicContact CB-CB 3.97Å; Q535-I540 HydrophobicContact CB-CG1 4.37Å; Q535-I540 HydrophobicContact CB-CG2 4.4Å; Q535-I540 PolarHBondContact O-N 3.18Å; Q535-H542 PolarHBondContact OE1-CE1 3.24Å; Q535-H542 PolarHBondContact OE1-NE2 3.37Å; Q535-A602 HydrophobicContact CG-CB 4Å; Q535-A602 PolarHBondContact NE2-O 3.45Å; Q535-A606 HydrophobicContact CG-CB 4.33Å
536S98Very high97.4Very high1 Ų112.9 Ų12.91%0.0076%0.059CC..Hα-helixtrans-63.2-29.7175.184.50000113.1N428 N532 E533 V534 F538 G539N428-S536 PolarHBondContact ND2-OG 3.08Å; N532-S536 WeakPolarHBondContact O-CB 3.46Å; N532-S536 PolarHBondContact O-N 3.41Å; E533-S536 WeakPolarHBondContact O-CB 3.34Å; E533-S536 PolarHBondContact O-N 3.37Å; E533-S536 PolarHBondContact O-OG 2.92Å; V534-S536 VanDerWaalsContact C-N 3.26Å; V534-S536 PolarHBondContact O-N 2.99Å; S536-F538 PolarHBondContact O-N 3.34Å; S536-G539 PolarHBondContact O-N 3.08Å
537F97.9Very high97.4Very high1 Ų112.8 Ų12.80%0.0046%0.059CC..THydrogen-bonded Turntrans-64-24.2173.7-53.4-38.4000112.2N428 L431 Y466 E533 V534 Q535 L562 K563 T567N428-F537 HydrophobicContact CB-CD1 4.04Å; N428-F537 HydrophobicContact CB-CE1 4.25Å; N428-F537 WeakPolarHBondContact ND2-CD1 3.44Å; L431-F537 HydrophobicContact CD1-CE1 4.23Å; Y466-F537 PolarHBondContact OH-O 3.23Å; E533-F537 HydrophobicContact CG-CE1 4.17Å; E533-F537 HydrophobicContact CG-CE2 4.39Å; E533-F537 HydrophobicContact CG-CZ 3.69Å; E533-F537 PolarHBondContact O-N 2.91Å; E533-F537 WeakPolarHBondContact OE1-CE1 3.44Å; V534-F537 HydrophobicContact CG2-CE2 4.31Å; V534-F537 WeakPolarHBondContact O-CB 3.45Å; V534-F537 WeakPolarHBondContact O-CD2 3.09Å; V534-F537 PolarHBondContact O-N 2.92Å; Q535-F537 VanDerWaalsContact C-N 3.26Å; Q535-F537 PolarHBondContact O-N 2.76Å; F537-L562 HydrophobicContact CE2-CB 4.01Å; F537-L562 HydrophobicContact CZ-CB 4.36Å; F537-K563 HydrophobicContact CD1-CB 4.33Å; F537-K563 HydrophobicContact CD1-CD 4.25Å; F537-K563 HydrophobicContact CD1-CG 4.02Å; F537-K563 HydrophobicContact CD2-CB 4.03Å; F537-K563 HydrophobicContact CD2-CG 4.07Å; F537-K563 HydrophobicContact CE1-CB 3.97Å; F537-K563 HydrophobicContact CE1-CD 4.32Å; F537-K563 HydrophobicContact CE1-CG 4.14Å; F537-K563 HydrophobicContact CE2-CB 3.65Å; F537-K563 HydrophobicContact CE2-CG 4.19Å; F537-K563 VanDerWaalsContact CE2-N 3.32Å; F537-K563 HydrophobicContact CG-CB 4.36Å; F537-K563 HydrophobicContact CG-CG 4Å; F537-K563 HydrophobicContact CZ-CB 3.61Å; F537-K563 HydrophobicContact CZ-CG 4.22Å; F537-T567 HydrophobicContact CB-CG2 4.46Å
538F98Very high97.3Very high0 Ų014.7 Ų14.70%07%0.071CC..THydrogen-bonded Turntrans-100.46175.7-59.5-87.5000112.4P262 W263 Y466 V534 Q535 S536 T567 R603 A606 Y610P262-F538 HydrophobicContact CG-CD1 3.81Å; W263-F538 HydrophobicContact CZ3-CB 4.42Å; W263-F538 HydrophobicContact CZ3-CD1 4Å; Y466-F538 HydrophobicContact CD2-CE1 4.22Å; Y466-F538 HydrophobicContact CE2-CD1 4.35Å; Y466-F538 HydrophobicContact CE2-CE1 4.13Å; V534-F538 WeakPolarHBondContact O-CD2 3.5Å; Q535-F538 CarbonylContact O-C 3.57Å; Q535-F538 WeakPolarHBondContact O-CA 3.47Å; Q535-F538 PolarHBondContact O-N 2.87Å; S536-F538 PolarHBondContact O-N 3.34Å; F538-T567 HydrophobicContact CZ-CG2 4.08Å; F538-R603 HydrophobicContact CE1-CG 4.47Å; F538-R603 HydrophobicContact CE2-CB 4.24Å; F538-R603 HydrophobicContact CE2-CG 3.97Å; F538-R603 HydrophobicContact CZ-CB 4.49Å; F538-R603 HydrophobicContact CZ-CG 3.73Å; F538-A606 HydrophobicContact CB-CB 4.09Å; F538-A606 HydrophobicContact CD2-CB 4.47Å; F538-A606 HydrophobicContact CG-CB 4.39Å; F538-Y610 VanDerWaalsContact O-CE2 3.24Å; F538-Y610 WeakPolarHBondContact O-CE2 3.33Å; F538-Y610 PolarHBondContact O-OH 2.97Å
539G97.8Very high97.1Very high0 Ų014.2 Ų14.20%07%0.069CC..THydrogen-bonded Turntrans81.613.8174.700000116F474 Q535 S536F474-G539 PolarHBondContact N-O 3.35Å; Q535-G539 PolarHBondContact O-N 3.18Å; S536-G539 PolarHBondContact O-N 3.08Å
540I97.9Very high97.1Very high5 Ų514.3 Ų14.33%0.0267%0.069CC..EExtended strand (participates in β ladder)trans-80.2122173.6-53.4-83.9000108.8F421 F474 A476 Q535 Y547 A606 Y610F421-I540 VanDerWaalsContact CE2-O 3.24Å; F421-I540 WeakPolarHBondContact CE2-O 3.34Å; F421-I540 VanDerWaalsContact CZ-O 3.25Å; F421-I540 WeakPolarHBondContact CZ-O 3.38Å; F474-I540 HydrophobicContact CD1-CD1 3.4Å; F474-I540 VanDerWaalsContact CD1-CD1 3.4Å; F474-I540 HydrophobicContact CE1-CD1 3.66Å; F474-I540 HydrophobicContact CG-CD1 4.18Å; F474-I540 CarbonylContact O-C 3.6Å; F474-I540 WeakPolarHBondContact O-CA 3.45Å; A476-I540 HydrophobicContact CB-CG2 4.38Å; Q535-I540 HydrophobicContact CB-CB 3.97Å; Q535-I540 HydrophobicContact CB-CG1 4.37Å; Q535-I540 HydrophobicContact CB-CG2 4.4Å; Q535-I540 PolarHBondContact O-N 3.18Å; I540-Y547 PolarHBondContact O-OH 2.94Å; I540-A606 HydrophobicContact CD1-CB 4.38Å; I540-A606 HydrophobicContact CG1-CB 3.83Å; I540-Y610 HydrophobicContact CD1-CE2 4.09Å; I540-Y610 HydrophobicContact CG1-CE2 4.45Å
541C97.7Very high96.9Very high0 Ų018.4 Ų18.40%09%0.091CC..EExtended strand (participates in β ladder)trans-104.9122.5178.6-177.10000110.2F421 P473 F474 H475 A476F421-C541 HydrophobicContact CD1-CB 3.76Å; F421-C541 HydrophobicContact CD2-CB 4.02Å; F421-C541 HydrophobicContact CE1-CB 3.8Å; F421-C541 HydrophobicContact CE2-CB 4.05Å; F421-C541 HydrophobicContact CG-CB 3.85Å; F421-C541 HydrophobicContact CZ-CB 3.95Å; P473-C541 HydrophobicContact CB-CB 4.45Å; F474-C541 PolarHBondContact O-N 3.33Å; H475-C541 CarbonylContact C-O 3.41Å; H475-C541 WeakPolarHBondContact CA-O 3.35Å; A476-C541 PolarHBondContact N-O 2.97Å
542H96.8Very high96.7Very high33 Ų3323.3 Ų23.315%0.15311%0.11CC..  trans-93.4115.6171.1-69-83.3000109.4V417 N532 Q535 D544 F545 Y547V417-H542 WeakPolarHBondContact CG1-O 3.17Å; N532-H542 PolarHBondContact OD1-CD2 2.97Å; Q535-H542 PolarHBondContact OE1-CE1 3.24Å; Q535-H542 PolarHBondContact OE1-NE2 3.37Å; H542-D544 PolarHBondContact O-N 3.24Å; H542-D544 VanDerWaalsContact O-N 3.15Å; H542-F545 HydrophobicContact CB-CB 3.85Å; H542-F545 PolarHBondContact O-N 3.44Å; H542-F545 VanDerWaalsContact O-N 3.14Å; H542-Y547 PolarHBondContact N-OH 3.42Å
543D94.4Very high96.6Very high15 Ų1523.4 Ų23.48%0.0811%0.111CC..THydrogen-bonded Turntrans-67.9-14.3-171.7-61.4-46.4000113.9E414 V417 H475 T477E414-D543 HydrophobicContact CG-CB 4.24Å; V417-D543 WeakPolarHBondContact CG2-O 3.34Å; H475-D543 IonicContact CE1-OD1 3.57Å; H475-D543 IonicContact CG-OD1 3.66Å; H475-D543 IonicContact ND1-OD1 2.67Å; H475-D543 PolarHBondContact ND1-OD1 2.96Å; H475-D543 IonicContact ND1-OD2 3.89Å; T477-D543 WeakPolarHBondContact CB-OD2 3.31Å; T477-D543 HydrophobicContact CG2-CB 4.46Å; T477-D543 WeakPolarHBondContact CG2-OD2 3.41Å; T477-D543 PolarHBondContact OG1-OD2 2.66Å
544D93.9Very high96.5Very high95 Ų9523.5 Ų23.551%0.50811%0.111SC..THydrogen-bonded Turntrans-104.513.1179.370.4-14.3000113R528 H542R528-D544 IonicContact CZ-OD2 2.69Å; R528-D544 PolarHBondContact NH2-O 3.13Å; R528-D544 IonicContact NH2-OD1 2.74Å; R528-D544 PolarHBondContact NH2-OD1 2.87Å; R528-D544 IonicContact NH2-OD2 3.16Å; R528-D544 PolarHBondContact NH2-OD2 2.88Å; H542-D544 PolarHBondContact O-N 3.24Å; H542-D544 VanDerWaalsContact O-N 3.15Å
545F96.1Very high96.2Very high0 Ų027.1 Ų27.10%013%0.133CC..  trans-117.3133.9-173.9-174.5-105.6000113.8W409 V417 R528 T529 N532 H542 Y547 V550W409-F545 HydrophobicContact CH2-CD2 4.42Å; W409-F545 AromaticContact CH2-CE2 3.95Å; W409-F545 HydrophobicContact CH2-CE2 3.95Å; W409-F545 HydrophobicContact CZ2-CD2 4.01Å; W409-F545 HydrophobicContact CZ2-CE2 4.01Å; V417-F545 WeakPolarHBondContact CG1-O 3.08Å; R528-F545 HydrophobicContact CG-CD2 4.29Å; R528-F545 HydrophobicContact CG-CE2 4.3Å; T529-F545 HydrophobicContact CG2-CZ 4.25Å; N532-F545 HydrophobicContact CB-CD1 3.88Å; N532-F545 HydrophobicContact CB-CD2 4.34Å; N532-F545 HydrophobicContact CB-CE1 3.82Å; N532-F545 HydrophobicContact CB-CE2 4.3Å; N532-F545 HydrophobicContact CB-CG 4.14Å; N532-F545 HydrophobicContact CB-CZ 4.05Å; N532-F545 WeakPolarHBondContact ND2-CB 3.46Å; N532-F545 WeakPolarHBondContact ND2-CD2 3.27Å; N532-F545 WeakPolarHBondContact ND2-CG 3.43Å; H542-F545 HydrophobicContact CB-CB 3.85Å; H542-F545 PolarHBondContact O-N 3.44Å; H542-F545 VanDerWaalsContact O-N 3.14Å; F545-Y547 HydrophobicContact CB-CE2 4.23Å; F545-Y547 AromaticContact CD1-CD1 3.78Å; F545-Y547 HydrophobicContact CD1-CD1 3.78Å; F545-Y547 AromaticContact CD1-CD2 3.85Å; F545-Y547 HydrophobicContact CD1-CD2 3.85Å; F545-Y547 AromaticContact CD1-CE1 3.68Å; F545-Y547 HydrophobicContact CD1-CE1 3.68Å; F545-Y547 AromaticContact CD1-CE2 3.76Å; F545-Y547 HydrophobicContact CD1-CE2 3.76Å; F545-Y547 AromaticContact CD1-CG 3.86Å; F545-Y547 HydrophobicContact CD1-CG 3.86Å; F545-Y547 AromaticContact CD1-CZ 3.68Å; F545-Y547 AromaticContact CE1-CD1 3.85Å; F545-Y547 HydrophobicContact CE1-CD1 3.85Å; F545-Y547 AromaticContact CE1-CE1 3.96Å; F545-Y547 HydrophobicContact CE1-CE1 3.96Å; F545-Y547 HydrophobicContact CE1-CG 4.21Å; F545-Y547 WeakPolarHBondContact O-CD2 3.21Å; F545-Y547 PolarHBondContact O-N 3.22Å; F545-V550 HydrophobicContact CE1-CG2 3.68Å; F545-V550 HydrophobicContact CZ-CG2 3.94Å
546R95.9Very high95.9Very high19 Ų1931.2 Ų31.27%0.07216%0.155CC..  trans-85.984.7-178.8-65.6-66.5-58.1-91.3-3.9112.2W409 E410 D548 R549W409-R546 HydrophobicContact CH2-CB 3.92Å; W409-R546 HydrophobicContact CZ2-CB 3.59Å; W409-R546 HydrophobicContact CZ2-CG 3.9Å; E410-R546 PolarHBondContact O-NH1 2.79Å; R546-D548 IonicContact CZ-OD1 3.82Å; R546-D548 IonicContact CZ-OD2 3.08Å; R546-D548 IonicContact NE-OD1 3.18Å; R546-D548 PolarHBondContact NE-OD1 3.44Å; R546-D548 VanDerWaalsContact NH2-CG 3.34Å; R546-D548 IonicContact NH2-OD1 3.83Å; R546-D548 PolarHBondContact NH2-OD1 3.36Å; R546-D548 VanDerWaalsContact NH2-OD1 3.08Å; R546-D548 IonicContact NH2-OD2 2.79Å; R546-D548 PolarHBondContact NH2-OD2 3.46Å; R546-D548 PolarHBondContact O-N 2.82Å; R546-R549 HydrophobicContact CB-CB 4.14Å; R546-R549 HydrophobicContact CB-CG 3.68Å; R546-R549 WeakPolarHBondContact O-CB 3.47Å; R546-R549 PolarHBondContact O-N 2.89Å
547Y96.7Very high95.6Very high7 Ų733.8 Ų33.83%0.02717%0.173CC..G310 helixtrans-62.6-24.2178.6-71.5-82.9000113.5V417 F421 A424 I540 H542 F545 R549 V550V417-Y547 HydrophobicContact CG1-CD2 4.09Å; V417-Y547 HydrophobicContact CG1-CE2 4.22Å; F421-Y547 HydrophobicContact CB-CD2 4.16Å; F421-Y547 HydrophobicContact CB-CE2 4.38Å; F421-Y547 AromaticContact CD2-CD1 3.83Å; F421-Y547 HydrophobicContact CD2-CD1 3.83Å; F421-Y547 AromaticContact CD2-CD2 3.81Å; F421-Y547 HydrophobicContact CD2-CD2 3.81Å; F421-Y547 AromaticContact CD2-CE1 3.52Å; F421-Y547 HydrophobicContact CD2-CE1 3.52Å; F421-Y547 AromaticContact CD2-CE2 3.49Å; F421-Y547 HydrophobicContact CD2-CE2 3.49Å; F421-Y547 VanDerWaalsContact CD2-CE2 3.49Å; F421-Y547 AromaticContact CD2-CG 3.97Å; F421-Y547 HydrophobicContact CD2-CG 3.97Å; F421-Y547 AromaticContact CD2-CZ 3.32Å; F421-Y547 HydrophobicContact CE2-CD1 4.33Å; F421-Y547 AromaticContact CE2-CE1 3.65Å; F421-Y547 HydrophobicContact CE2-CE1 3.65Å; F421-Y547 HydrophobicContact CE2-CE2 4.17Å; F421-Y547 AromaticContact CE2-CZ 3.55Å; F421-Y547 HydrophobicContact CG-CD2 4.49Å; F421-Y547 HydrophobicContact CG-CE2 4.33Å; A424-Y547 HydrophobicContact CB-CD1 4.21Å; A424-Y547 HydrophobicContact CB-CG 4.44Å; I540-Y547 PolarHBondContact O-OH 2.94Å; H542-Y547 PolarHBondContact N-OH 3.42Å; F545-Y547 HydrophobicContact CB-CE2 4.23Å; F545-Y547 AromaticContact CD1-CD1 3.78Å; F545-Y547 HydrophobicContact CD1-CD1 3.78Å; F545-Y547 AromaticContact CD1-CD2 3.85Å; F545-Y547 HydrophobicContact CD1-CD2 3.85Å; F545-Y547 AromaticContact CD1-CE1 3.68Å; F545-Y547 HydrophobicContact CD1-CE1 3.68Å; F545-Y547 AromaticContact CD1-CE2 3.76Å; F545-Y547 HydrophobicContact CD1-CE2 3.76Å; F545-Y547 AromaticContact CD1-CG 3.86Å; F545-Y547 HydrophobicContact CD1-CG 3.86Å; F545-Y547 AromaticContact CD1-CZ 3.68Å; F545-Y547 AromaticContact CE1-CD1 3.85Å; F545-Y547 HydrophobicContact CE1-CD1 3.85Å; F545-Y547 AromaticContact CE1-CE1 3.96Å; F545-Y547 HydrophobicContact CE1-CE1 3.96Å; F545-Y547 HydrophobicContact CE1-CG 4.21Å; F545-Y547 WeakPolarHBondContact O-CD2 3.21Å; F545-Y547 PolarHBondContact O-N 3.22Å; Y547-R549 PolarHBondContact O-N 3.39Å; Y547-V550 PolarHBondContact O-N 3.14Å
548D95.5Very high95.4Very high61 Ų6134.4 Ų34.433%0.32618%0.176SC..G310 helixtrans-67.2-16.7173.972.4-59.8000113.7Q420 R546Q420-D548 HydrophobicContact CG-CB 4.14Å; Q420-D548 PolarHBondContact NE2-OD1 3.4Å; Q420-D548 PolarHBondContact OE1-OD1 3.01Å; R546-D548 IonicContact CZ-OD1 3.82Å; R546-D548 IonicContact CZ-OD2 3.08Å; R546-D548 IonicContact NE-OD1 3.18Å; R546-D548 PolarHBondContact NE-OD1 3.44Å; R546-D548 VanDerWaalsContact NH2-CG 3.34Å; R546-D548 IonicContact NH2-OD1 3.83Å; R546-D548 PolarHBondContact NH2-OD1 3.36Å; R546-D548 VanDerWaalsContact NH2-OD1 3.08Å; R546-D548 IonicContact NH2-OD2 2.79Å; R546-D548 PolarHBondContact NH2-OD2 3.46Å; R546-D548 PolarHBondContact O-N 2.82Å
549R94.8Very high95.3Very high45 Ų4534.6 Ų34.617%0.1718%0.177CC..G310 helixtrans-95.4-14-177.4-60.5-64.3-160.2-126.412.8113.8E405 W409 R546 Y547 N551 R552E405-R549 WeakPolarHBondContact OE2-CD 3.26Å; E405-R549 IonicContact OE2-NE 3.36Å; W409-R549 HydrophobicContact CH2-CB 4.15Å; W409-R549 HydrophobicContact CZ3-CB 3.93Å; W409-R549 HydrophobicContact CZ3-CG 4.27Å; R546-R549 HydrophobicContact CB-CB 4.14Å; R546-R549 HydrophobicContact CB-CG 3.68Å; R546-R549 WeakPolarHBondContact O-CB 3.47Å; R546-R549 PolarHBondContact O-N 2.89Å; Y547-R549 PolarHBondContact O-N 3.39Å; R549-N551 VanDerWaalsContact C-N 3.28Å; R549-N551 PolarHBondContact O-N 3.17Å; R549-R552 VanDerWaalsContact CD-CZ 3.44Å; R549-R552 VanDerWaalsContact CZ-CZ 3.48Å; R549-R552 VanDerWaalsContact CZ-NH1 3.29Å; R549-R552 VanDerWaalsContact NE-NH1 3.19Å; R549-R552 VanDerWaalsContact O-CB 3.27Å; R549-R552 WeakPolarHBondContact O-CB 3.27Å; R549-R552 PolarHBondContact O-N 2.94Å
550V96.6Very high95Very high2 Ų234.8 Ų34.81%0.01218%0.179CC..Hα-helixtrans-51.8-45.8-176174.90000112.2T529 E533 F545 Y547 R552 L553 L554T529-V550 HydrophobicContact CG2-CB 4.42Å; T529-V550 HydrophobicContact CG2-CG1 4.13Å; T529-V550 HydrophobicContact CG2-CG2 4.28Å; E533-V550 HydrophobicContact CB-CG1 4.46Å; E533-V550 HydrophobicContact CG-CG1 4.3Å; E533-V550 WeakPolarHBondContact OE2-CG1 3.35Å; F545-V550 HydrophobicContact CE1-CG2 3.68Å; F545-V550 HydrophobicContact CZ-CG2 3.94Å; Y547-V550 PolarHBondContact O-N 3.14Å; V550-R552 PolarHBondContact O-N 3.41Å; V550-R552 VanDerWaalsContact O-N 3.08Å; V550-L553 PolarHBondContact O-N 3.23Å; V550-L553 VanDerWaalsContact O-N 3.08Å; V550-L554 HydrophobicContact CG1-CB 4.48Å; V550-L554 HydrophobicContact CG1-CD1 4.26Å; V550-L554 PolarHBondContact O-N 2.87Å
551N94.5Very high94.8Very high87 Ų8734.6 Ų34.647%0.46518%0.177SC..Hα-helixtrans-66.6-10.8-177.9-70.5-36.7000114.5R549 L554 R559R549-N551 VanDerWaalsContact C-N 3.28Å; R549-N551 PolarHBondContact O-N 3.17Å; N551-L554 WeakPolarHBondContact CA-O 3.32Å; N551-R559 VanDerWaalsContact OD1-CD 3.27Å; N551-R559 WeakPolarHBondContact OD1-CD 3.5Å; N551-R559 PolarHBondContact OD1-NH1 3.48Å
552R94.8Very high94.7Very high110 Ų11034.6 Ų34.642%0.41518%0.177SC..Hα-helixtrans-82.7-31.4174.8-55.9-177.2177.2-169.8-8.8111.6I401 E405 R549 V550I401-R552 WeakPolarHBondContact CG2-O 3.31Å; E405-R552 HydrophobicContact CG-CB 4.26Å; E405-R552 WeakPolarHBondContact OE1-CD 3.23Å; E405-R552 IonicContact OE1-CZ 3.6Å; E405-R552 IonicContact OE1-NE 3.43Å; E405-R552 IonicContact OE1-NH1 3.42Å; E405-R552 PolarHBondContact OE1-NH1 2.94Å; E405-R552 WeakPolarHBondContact OE2-CD 3.48Å; E405-R552 IonicContact OE2-CZ 3.51Å; E405-R552 IonicContact OE2-NE 3.61Å; E405-R552 IonicContact OE2-NH1 2.76Å; E405-R552 PolarHBondContact OE2-NH1 2.85Å; R549-R552 VanDerWaalsContact CD-CZ 3.44Å; R549-R552 VanDerWaalsContact CZ-CZ 3.48Å; R549-R552 VanDerWaalsContact CZ-NH1 3.29Å; R549-R552 VanDerWaalsContact NE-NH1 3.19Å; R549-R552 VanDerWaalsContact O-CB 3.27Å; R549-R552 WeakPolarHBondContact O-CB 3.27Å; R549-R552 PolarHBondContact O-N 2.94Å; V550-R552 PolarHBondContact O-N 3.41Å; V550-R552 VanDerWaalsContact O-N 3.08Å
553L95.6Very high94.7Very high7 Ų733.1 Ų33.14%0.03717%0.17CC..Hα-helixtrans-96.9-34.1-179-67.7165.4000112.6I401 I402 E405 L525 T529 V550I401-L553 HydrophobicContact CG2-CD2 4.09Å; I402-L553 HydrophobicContact CG1-CD2 3.91Å; E405-L553 HydrophobicContact CB-CD2 4.5Å; E405-L553 HydrophobicContact CG-CD2 4.48Å; L525-L553 HydrophobicContact CD1-CD1 4.03Å; L525-L553 HydrophobicContact CD2-CD1 4.06Å; L525-L553 HydrophobicContact CD2-CD2 4.49Å; L525-L553 HydrophobicContact CG-CD1 3.76Å; T529-L553 HydrophobicContact CG2-CB 4.22Å; T529-L553 HydrophobicContact CG2-CD1 4.12Å; T529-L553 WeakPolarHBondContact OG1-CD1 3.35Å; V550-L553 PolarHBondContact O-N 3.23Å; V550-L553 VanDerWaalsContact O-N 3.08Å
554L96.5Very high94.6Very high1 Ų133.3 Ų33.31%0.00517%0.171CC..SBendtrans-119.7123.8-179-63.3175.1000110.8Y526 T529 V530 E533 V550 N551 Q558 R559 L562Y526-L554 HydrophobicContact CE2-CD2 3.63Å; T529-L554 HydrophobicContact CG2-CD1 3.84Å; T529-L554 HydrophobicContact CG2-CG 4.13Å; V530-L554 HydrophobicContact CG2-CD1 4.35Å; V530-L554 HydrophobicContact CG2-CD2 4.17Å; E533-L554 HydrophobicContact CB-CD1 4.31Å; E533-L554 HydrophobicContact CG-CD1 4.32Å; V550-L554 HydrophobicContact CG1-CB 4.48Å; V550-L554 HydrophobicContact CG1-CD1 4.26Å; V550-L554 PolarHBondContact O-N 2.87Å; N551-L554 WeakPolarHBondContact CA-O 3.32Å; L554-Q558 HydrophobicContact CD2-CB 4.39Å; L554-R559 HydrophobicContact CB-CG 3.65Å; L554-R559 HydrophobicContact CD1-CG 4.36Å; L554-L562 HydrophobicContact CD1-CD1 3.78Å
555T93.5Very high94.6Very high76 Ų7628.8 Ų28.847%0.46615%0.147SC..  trans-68.7159171.765.70000111.3S557 Q558 R559T555-S557 VanDerWaalsContact C-N 3.25Å; T555-S557 PolarHBondContact O-N 3.33Å; T555-Q558 WeakPolarHBondContact O-CB 3.19Å; T555-Q558 PolarHBondContact O-N 3.46Å; T555-Q558 VanDerWaalsContact OG1-CD 3.3Å; T555-Q558 VanDerWaalsContact OG1-CG 3.26Å; T555-Q558 WeakPolarHBondContact OG1-CG 3.39Å; T555-Q558 PolarHBondContact OG1-N 3.3Å; T555-Q558 PolarHBondContact OG1-OE1 3.17Å; T555-R559 WeakPolarHBondContact O-CG 3.42Å; T555-R559 PolarHBondContact O-N 3.32Å
556N92Very high94.6Very high91 Ų9128.8 Ų28.849%0.48715%0.147SC..Hα-helixtrans-56.3-37.6176.8-74.8-12000113.2L431 R559 A560L431-N556 HydrophobicContact CD2-CB 4.45Å; N556-R559 PolarHBondContact O-N 2.92Å; N556-A560 VanDerWaalsContact O-CB 3.22Å; N556-A560 WeakPolarHBondContact O-CB 3.25Å; N556-A560 PolarHBondContact O-N 2.98Å
557S90.3Very high94.6Very high54 Ų5428.2 Ų28.238%0.37815%0.146SC..Hα-helixtrans-66.4-38.9177.1-59.10000112.2F437 T555 Y561F437-S557 WeakPolarHBondContact CZ-O 3.16Å; T555-S557 VanDerWaalsContact C-N 3.25Å; T555-S557 PolarHBondContact O-N 3.33Å; S557-Y561 WeakPolarHBondContact O-CB 3.19Å; S557-Y561 PolarHBondContact O-N 2.97Å
558Q94Very high94.3Very high15 Ų1529.9 Ų29.97%0.0715%0.153CC..Hα-helixtrans-66.3-49.7174.6-69.5166.2-36.300110.6L554 T555 A560 Y561 L562 I583 F584L554-Q558 HydrophobicContact CD2-CB 4.39Å; T555-Q558 WeakPolarHBondContact O-CB 3.19Å; T555-Q558 PolarHBondContact O-N 3.46Å; T555-Q558 VanDerWaalsContact OG1-CD 3.3Å; T555-Q558 VanDerWaalsContact OG1-CG 3.26Å; T555-Q558 WeakPolarHBondContact OG1-CG 3.39Å; T555-Q558 PolarHBondContact OG1-N 3.3Å; T555-Q558 PolarHBondContact OG1-OE1 3.17Å; Q558-A560 VanDerWaalsContact C-N 3.32Å; Q558-A560 PolarHBondContact O-N 2.95Å; Q558-Y561 WeakPolarHBondContact O-CA 3.37Å; Q558-Y561 WeakPolarHBondContact O-CB 3.36Å; Q558-Y561 PolarHBondContact O-N 3.23Å; Q558-L562 WeakPolarHBondContact O-CG 3.34Å; Q558-L562 PolarHBondContact O-N 3.41Å; Q558-I583 HydrophobicContact CG-CG2 4.13Å; Q558-I583 WeakPolarHBondContact CG-O 3.3Å; Q558-I583 PolarHBondContact NE2-O 3.26Å; Q558-F584 HydrophobicContact CB-CE1 3.76Å; Q558-F584 HydrophobicContact CB-CZ 3.81Å; Q558-F584 HydrophobicContact CG-CD1 3.8Å; Q558-F584 HydrophobicContact CG-CE1 3.52Å; Q558-F584 HydrophobicContact CG-CE2 4.35Å; Q558-F584 HydrophobicContact CG-CG 4.33Å; Q558-F584 HydrophobicContact CG-CZ 3.83Å
559R95.7Very high94.1Very high3 Ų327.1 Ų27.11%0.01114%0.139CC..Hα-helixtrans-57.1-44.7177-64.1177.267.5-146-5.7111.9S427 N428 L431 E533 N551 L554 T555 N556 Y561 L562 K563S427-R559 PolarHBondContact OG-NH1 3.43Å; N428-R559 PolarHBondContact OD1-NH2 2.87Å; L431-R559 HydrophobicContact CD1-CB 3.81Å; L431-R559 HydrophobicContact CD2-CB 4.25Å; E533-R559 IonicContact OE1-CZ 3.78Å; E533-R559 IonicContact OE1-NE 2.8Å; E533-R559 PolarHBondContact OE1-NE 3.44Å; E533-R559 IonicContact OE1-NH2 3.22Å; E533-R559 PolarHBondContact OE1-NH2 3.35Å; E533-R559 IonicContact OE2-NH2 3.85Å; N551-R559 VanDerWaalsContact OD1-CD 3.27Å; N551-R559 WeakPolarHBondContact OD1-CD 3.5Å; N551-R559 PolarHBondContact OD1-NH1 3.48Å; L554-R559 HydrophobicContact CB-CG 3.65Å; L554-R559 HydrophobicContact CD1-CG 4.36Å; T555-R559 WeakPolarHBondContact O-CG 3.42Å; T555-R559 PolarHBondContact O-N 3.32Å; N556-R559 PolarHBondContact O-N 2.92Å; R559-Y561 VanDerWaalsContact C-N 3.32Å; R559-Y561 PolarHBondContact O-N 3Å; R559-L562 PolarHBondContact O-N 2.91Å; R559-K563 PolarHBondContact O-N 2.72Å
560A92.7Very high93.8Very high5 Ų525.3 Ų25.34%0.04113%0.133CC..Hα-helixtrans-63.4-37.2176.100000112.1L431 V436 F437 N556 Q558 K563 L564L431-A560 HydrophobicContact CB-CB 4.21Å; L431-A560 HydrophobicContact CD2-CB 4.32Å; V436-A560 HydrophobicContact CB-CB 4.26Å; V436-A560 HydrophobicContact CG1-CB 3.52Å; F437-A560 HydrophobicContact CD2-CB 3.99Å; F437-A560 HydrophobicContact CE2-CB 3.46Å; F437-A560 VanDerWaalsContact CE2-CB 3.46Å; F437-A560 HydrophobicContact CZ-CB 4.39Å; N556-A560 VanDerWaalsContact O-CB 3.22Å; N556-A560 WeakPolarHBondContact O-CB 3.25Å; N556-A560 PolarHBondContact O-N 2.98Å; Q558-A560 VanDerWaalsContact C-N 3.32Å; Q558-A560 PolarHBondContact O-N 2.95Å; A560-K563 PolarHBondContact O-N 3.45Å; A560-L564 VanDerWaalsContact O-CB 3.3Å; A560-L564 WeakPolarHBondContact O-CB 3.46Å; A560-L564 PolarHBondContact O-N 3.48Å
561Y92.8Very high93.3Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-65-45.8173.5175-94.7000111.6S557 Q558 R559 K563 L564 C565 V572 L578 F580 I583 F584 I599S557-Y561 WeakPolarHBondContact O-CB 3.19Å; S557-Y561 PolarHBondContact O-N 2.97Å; Q558-Y561 WeakPolarHBondContact O-CA 3.37Å; Q558-Y561 WeakPolarHBondContact O-CB 3.36Å; Q558-Y561 PolarHBondContact O-N 3.23Å; R559-Y561 VanDerWaalsContact C-N 3.32Å; R559-Y561 PolarHBondContact O-N 3Å; Y561-K563 VanDerWaalsContact C-N 3.27Å; Y561-K563 PolarHBondContact O-N 3.4Å; Y561-L564 PolarHBondContact O-N 3.5Å; Y561-C565 HydrophobicContact CE1-CB 4.42Å; Y561-C565 VanDerWaalsContact O-CB 3.3Å; Y561-C565 WeakPolarHBondContact O-CB 3.26Å; Y561-C565 PolarHBondContact O-N 3.15Å; Y561-V572 HydrophobicContact CE2-CG1 4.27Å; Y561-L578 HydrophobicContact CD2-CD1 4.12Å; Y561-L578 HydrophobicContact CE2-CD1 4.36Å; Y561-L578 HydrophobicContact CE2-CD2 4.09Å; Y561-F580 HydrophobicContact CE2-CE1 4.04Å; Y561-F580 AromaticContact CZ-CE1 3.78Å; Y561-F580 VanDerWaalsContact OH-CE1 3.27Å; Y561-F580 WeakPolarHBondContact OH-CE1 3.48Å; Y561-I583 HydrophobicContact CD2-CD1 4.08Å; Y561-I583 HydrophobicContact CG-CD1 4.46Å; Y561-I583 HydrophobicContact CG-CG2 4.46Å; Y561-F584 AromaticContact CD1-CE2 3.51Å; Y561-F584 HydrophobicContact CD1-CE2 3.51Å; Y561-F584 AromaticContact CD1-CZ 3.98Å; Y561-F584 HydrophobicContact CD1-CZ 3.98Å; Y561-F584 HydrophobicContact CE1-CE2 4.06Å; Y561-F584 HydrophobicContact CG-CE2 4.09Å; Y561-I599 HydrophobicContact CE1-CD1 4.29Å
562L95.9Very high92.9Very high0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-56.5-44.8176-60.2-175.6000110.8V530 E533 V534 F537 L554 Q558 R559 S566 F584 V595 I599V530-L562 HydrophobicContact CG1-CD1 4.13Å; V530-L562 HydrophobicContact CG1-CD2 4.19Å; V530-L562 HydrophobicContact CG2-CD1 4.42Å; E533-L562 HydrophobicContact CG-CD1 4.27Å; V534-L562 HydrophobicContact CG2-CB 4.16Å; V534-L562 HydrophobicContact CG2-CD1 4.5Å; F537-L562 HydrophobicContact CE2-CB 4.01Å; F537-L562 HydrophobicContact CZ-CB 4.36Å; L554-L562 HydrophobicContact CD1-CD1 3.78Å; Q558-L562 WeakPolarHBondContact O-CG 3.34Å; Q558-L562 PolarHBondContact O-N 3.41Å; R559-L562 PolarHBondContact O-N 2.91Å; L562-S566 WeakPolarHBondContact O-CB 3.42Å; L562-S566 PolarHBondContact O-N 3.04Å; L562-S566 PolarHBondContact O-OG 2.98Å; L562-F584 HydrophobicContact CD2-CZ 4.18Å; L562-V595 HydrophobicContact CD2-CG1 3.81Å; L562-I599 HydrophobicContact CD2-CD1 3.44Å; L562-I599 VanDerWaalsContact CD2-CD1 3.44Å; L562-I599 HydrophobicContact CD2-CG1 3.75Å
563K95.5Very high91.9Very high2 Ų219.4 Ų19.41%0.00910%0.104CC..Hα-helixtrans-62.9-50.3177.1-167.8-178.9-177.3-165.80111.4N428 L431 D432 N468 F537 R559 A560 Y561 C565 S566 T567N428-K563 PolarHBondContact O-NZ 3.32Å; L431-K563 HydrophobicContact CB-CD 4.17Å; L431-K563 HydrophobicContact CD1-CD 4.35Å; D432-K563 WeakPolarHBondContact OD1-CE 3.4Å; D432-K563 IonicContact OD1-NZ 3.84Å; D432-K563 PolarHBondContact OD1-NZ 2.95Å; D432-K563 IonicContact OD2-NZ 3.71Å; D432-K563 PolarHBondContact OD2-NZ 2.79Å; N468-K563 WeakPolarHBondContact OD1-CE 3.24Å; N468-K563 PolarHBondContact OD1-NZ 3.37Å; F537-K563 HydrophobicContact CD1-CB 4.33Å; F537-K563 HydrophobicContact CD1-CD 4.25Å; F537-K563 HydrophobicContact CD1-CG 4.02Å; F537-K563 HydrophobicContact CD2-CB 4.03Å; F537-K563 HydrophobicContact CD2-CG 4.07Å; F537-K563 HydrophobicContact CE1-CB 3.97Å; F537-K563 HydrophobicContact CE1-CD 4.32Å; F537-K563 HydrophobicContact CE1-CG 4.14Å; F537-K563 HydrophobicContact CE2-CB 3.65Å; F537-K563 HydrophobicContact CE2-CG 4.19Å; F537-K563 VanDerWaalsContact CE2-N 3.32Å; F537-K563 HydrophobicContact CG-CB 4.36Å; F537-K563 HydrophobicContact CG-CG 4Å; F537-K563 HydrophobicContact CZ-CB 3.61Å; F537-K563 HydrophobicContact CZ-CG 4.22Å; R559-K563 PolarHBondContact O-N 2.72Å; A560-K563 PolarHBondContact O-N 3.45Å; Y561-K563 VanDerWaalsContact C-N 3.27Å; Y561-K563 PolarHBondContact O-N 3.4Å; K563-C565 PolarHBondContact O-N 3.15Å; K563-S566 PolarHBondContact O-N 2.82Å; K563-S566 PolarHBondContact O-OG 3.11Å; K563-T567 HydrophobicContact CG-CG2 4.28Å; K563-T567 WeakPolarHBondContact O-CB 3.49Å; K563-T567 WeakPolarHBondContact O-CG2 3.25Å; K563-T567 PolarHBondContact O-N 2.95Å; K563-T567 PolarHBondContact O-OG1 2.86Å
564L92.7Very high91Very high19 Ų1920.1 Ų20.110%0.09911%0.109CC..Hα-helixtrans-60.1-46.4-179.1-173.872.4000111.7M442 A560 Y561 S566 T567 F568 A571 V572 I575M442-L564 HydrophobicContact CE-CD1 3.94Å; M442-L564 HydrophobicContact SD-CD1 4.2Å; A560-L564 VanDerWaalsContact O-CB 3.3Å; A560-L564 WeakPolarHBondContact O-CB 3.46Å; A560-L564 PolarHBondContact O-N 3.48Å; Y561-L564 PolarHBondContact O-N 3.5Å; L564-S566 VanDerWaalsContact C-N 3.34Å; L564-S566 PolarHBondContact O-N 3.1Å; L564-T567 PolarHBondContact O-N 3.1Å; L564-F568 HydrophobicContact CD1-CB 4.19Å; L564-F568 CarbonylContact O-C 2.92Å; L564-F568 WeakPolarHBondContact O-CA 3.33Å; L564-F568 PolarHBondContact O-N 3.17Å; L564-A571 HydrophobicContact CD1-CB 3.85Å; L564-V572 HydrophobicContact CD2-CG2 3.97Å; L564-V572 HydrophobicContact CG-CG2 4.01Å; L564-I575 HydrophobicContact CD2-CD1 3.17Å; L564-I575 HydrophobicContact CD2-CG1 4.18Å
565C94.4Very high90Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-64.2-37.6179.6-171.40000112C306 Y561 K563 P569 V572 I599C306-C565 WeakPolarHBondContact CB-O 3.14Å; C306-C565 PolarHBondContact SG-O 3.39Å; Y561-C565 HydrophobicContact CE1-CB 4.42Å; Y561-C565 VanDerWaalsContact O-CB 3.3Å; Y561-C565 WeakPolarHBondContact O-CB 3.26Å; Y561-C565 PolarHBondContact O-N 3.15Å; K563-C565 PolarHBondContact O-N 3.15Å; C565-P569 WeakPolarHBondContact O-CB 3.4Å; C565-V572 HydrophobicContact CB-CG2 4.5Å; C565-I599 HydrophobicContact CB-CD1 4.14Å; C565-I599 HydrophobicContact CB-CG2 4.35Å
566S96.8Very high88.5Confident0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-83.8-22.2-179.365.80000114.3L562 K563 L564 R603L562-S566 WeakPolarHBondContact O-CB 3.42Å; L562-S566 PolarHBondContact O-N 3.04Å; L562-S566 PolarHBondContact O-OG 2.98Å; K563-S566 PolarHBondContact O-N 2.82Å; K563-S566 PolarHBondContact O-OG 3.11Å; L564-S566 VanDerWaalsContact C-N 3.34Å; L564-S566 PolarHBondContact O-N 3.1Å; S566-R603 WeakPolarHBondContact O-CD 3.47Å; S566-R603 PolarHBondContact O-NE 2.89Å; S566-R603 VanDerWaalsContact O-NE 3.16Å; S566-R603 PolarHBondContact O-NH1 2.72Å
567T94.7Very high87Confident7 Ų726.7 Ų26.74%0.04314%0.136CC..Hα-helixtrans-114.6-41.6-172.261.10000113.8Y466 F537 F538 K563 L564 P569Y466-T567 HydrophobicContact CD1-CG2 3.85Å; Y466-T567 HydrophobicContact CD2-CG2 3.59Å; Y466-T567 HydrophobicContact CE1-CG2 3.82Å; Y466-T567 HydrophobicContact CE2-CG2 3.55Å; Y466-T567 VanDerWaalsContact CG-CB 3.48Å; Y466-T567 HydrophobicContact CG-CG2 3.74Å; F537-T567 HydrophobicContact CB-CG2 4.46Å; F538-T567 HydrophobicContact CZ-CG2 4.08Å; K563-T567 HydrophobicContact CG-CG2 4.28Å; K563-T567 WeakPolarHBondContact O-CB 3.49Å; K563-T567 WeakPolarHBondContact O-CG2 3.25Å; K563-T567 PolarHBondContact O-N 2.95Å; K563-T567 PolarHBondContact O-OG1 2.86Å; L564-T567 PolarHBondContact O-N 3.1Å; T567-P569 VanDerWaalsContact C-CD 3.47Å
568F91Very high85.9Confident43 Ų4325.8 Ų25.819%0.18913%0.127CC..  trans-13161-179.7-65.9-79.9000110.8M442 I446 Y466 L564 V570 A571M442-F568 HydrophobicContact CE-CB 3.78Å; M442-F568 HydrophobicContact CE-CD1 4.41Å; M442-F568 HydrophobicContact CE-CD2 4.18Å; M442-F568 HydrophobicContact CE-CG 3.92Å; I446-F568 HydrophobicContact CD1-CD1 4.39Å; Y466-F568 HydrophobicContact CD1-CD2 4.33Å; Y466-F568 AromaticContact CD1-CE2 3.65Å; Y466-F568 HydrophobicContact CD1-CE2 3.65Å; Y466-F568 HydrophobicContact CD1-CZ 4.19Å; Y466-F568 HydrophobicContact CG-CE2 4.21Å; Y466-F568 HydrophobicContact CG-CZ 4.5Å; Y466-F568 WeakPolarHBondContact O-CZ 3.42Å; L564-F568 HydrophobicContact CD1-CB 4.19Å; L564-F568 CarbonylContact O-C 2.92Å; L564-F568 WeakPolarHBondContact O-CA 3.33Å; L564-F568 PolarHBondContact O-N 3.17Å; F568-V570 PolarHBondContact O-N 3.09Å; F568-V570 VanDerWaalsContact O-N 3.09Å; F568-A571 HydrophobicContact CB-CB 4.3Å; F568-A571 WeakPolarHBondContact O-CB 3.31Å; F568-A571 PolarHBondContact O-N 3.39Å
569P91.7Very high85Confident3 Ų330.5 Ų30.52%0.01915%0.147CC..G310 helixtrans-57.9-35.9-170.123.8-35.8000112.6C306 F309 C565 T567 A571 V572C306-P569 HydrophobicContact CB-CB 4.34Å; F309-P569 HydrophobicContact CB-CB 3.77Å; F309-P569 WeakPolarHBondContact CB-O 3.46Å; F309-P569 HydrophobicContact CD2-CB 3.71Å; F309-P569 HydrophobicContact CD2-CG 4.08Å; F309-P569 HydrophobicContact CG-CB 4.02Å; F309-P569 WeakPolarHBondContact CG-O 3.19Å; C565-P569 WeakPolarHBondContact O-CB 3.4Å; T567-P569 VanDerWaalsContact C-CD 3.47Å; P569-A571 PolarHBondContact O-N 3.4Å; P569-V572 VanDerWaalsContact O-CB 3.28Å; P569-V572 WeakPolarHBondContact O-CB 3.24Å; P569-V572 WeakPolarHBondContact O-CG2 3.49Å; P569-V572 PolarHBondContact O-N 2.88Å
570V88.2Confident84.3Confident7 Ų730.5 Ų30.54%0.04215%0.148CC..G310 helixtrans-56-27.5177.166.50000114.2R216 F309 I446 L449 F568R216-V570 HydrophobicContact CB-CG2 4.31Å; F309-V570 HydrophobicContact CD1-CB 4.46Å; F309-V570 HydrophobicContact CE1-CB 4.04Å; F309-V570 HydrophobicContact CE1-CG2 3.91Å; F309-V570 HydrophobicContact CE2-CB 4.12Å; F309-V570 HydrophobicContact CZ-CB 3.85Å; F309-V570 HydrophobicContact CZ-CG2 3.86Å; I446-V570 HydrophobicContact CD1-CG1 4.31Å; I446-V570 HydrophobicContact CG1-CG1 3.83Å; L449-V570 HydrophobicContact CD1-CG2 3.26Å; F568-V570 PolarHBondContact O-N 3.09Å; F568-V570 VanDerWaalsContact O-N 3.09Å
571A86.9Confident83.7Confident0 Ų034.5 Ų34.50%017%0.165CC..G310 helixtrans-81.9-13.1-178.200000114.1M442 I446 L564 F568 P569 Y573 T574M442-A571 HydrophobicContact CE-CB 3.4Å; M442-A571 VanDerWaalsContact CE-CB 3.4Å; M442-A571 HydrophobicContact CG-CB 3.56Å; M442-A571 HydrophobicContact SD-CB 3.54Å; M442-A571 VanDerWaalsContact SD-CB 3.54Å; I446-A571 HydrophobicContact CD1-CB 4.35Å; L564-A571 HydrophobicContact CD1-CB 3.85Å; F568-A571 HydrophobicContact CB-CB 4.3Å; F568-A571 WeakPolarHBondContact O-CB 3.31Å; F568-A571 PolarHBondContact O-N 3.39Å; P569-A571 PolarHBondContact O-N 3.4Å; A571-Y573 PolarHBondContact O-N 3.42Å; A571-T574 WeakPolarHBondContact O-CB 3.38Å; A571-T574 PolarHBondContact O-N 2.99Å; A571-T574 PolarHBondContact O-OG1 3.23Å
572V85.9Confident83.3Confident3 Ų339.7 Ų39.72%0.01819%0.193CC..G310 helixtrans-52.5-39175.6174.40000110.7Y561 L564 C565 P569 T574 I575 L578Y561-V572 HydrophobicContact CE2-CG1 4.27Å; L564-V572 HydrophobicContact CD2-CG2 3.97Å; L564-V572 HydrophobicContact CG-CG2 4.01Å; C565-V572 HydrophobicContact CB-CG2 4.5Å; P569-V572 VanDerWaalsContact O-CB 3.28Å; P569-V572 WeakPolarHBondContact O-CB 3.24Å; P569-V572 WeakPolarHBondContact O-CG2 3.49Å; P569-V572 PolarHBondContact O-N 2.88Å; V572-T574 VanDerWaalsContact C-N 3.27Å; V572-T574 PolarHBondContact O-N 2.9Å; V572-I575 PolarHBondContact O-N 2.79Å; V572-L578 HydrophobicContact CG1-CD2 3.45Å; V572-L578 VanDerWaalsContact CG1-CD2 3.45Å
573Y74.2Confident82.9Confident71 Ų7140.6 Ų40.628%0.27820%0.198SC..G310 helixtrans-71-14.2176.9-70.5-61.3000115.4M1 F129 I308 F309 G312 I313 A571 I575M1-Y573 HydrophobicContact CG-CE2 4.35Å; F129-Y573 HydrophobicContact CD2-CE1 4.44Å; I308-Y573 PolarHBondContact O-OH 3.37Å; F309-Y573 HydrophobicContact CB-CE2 4.47Å; F309-Y573 AromaticContact CD1-CD2 3.44Å; F309-Y573 HydrophobicContact CD1-CD2 3.44Å; F309-Y573 VanDerWaalsContact CD1-CD2 3.44Å; F309-Y573 AromaticContact CD1-CE2 3.18Å; F309-Y573 HydrophobicContact CD1-CE2 3.18Å; F309-Y573 AromaticContact CE1-CD2 3.84Å; F309-Y573 HydrophobicContact CE1-CD2 3.84Å; F309-Y573 AromaticContact CE1-CE2 3.67Å; F309-Y573 HydrophobicContact CE1-CE2 3.67Å; F309-Y573 HydrophobicContact CG-CE2 4.24Å; G312-Y573 WeakPolarHBondContact CA-OH 3.42Å; I313-Y573 PolarHBondContact N-OH 3.39Å; I313-Y573 PolarHBondContact O-OH 2.81Å; A571-Y573 PolarHBondContact O-N 3.42Å; Y573-I575 VanDerWaalsContact C-N 3.33Å
574T75.2Confident82.8Confident22 Ų2240.6 Ų40.614%0.13520%0.198CC..G310 helixtrans-84-15.2-179.672.60000112.4S439 H445 A571 V572 Q576S439-T574 WeakPolarHBondContact OG-CB 3.45Å; S439-T574 PolarHBondContact OG-O 3.44Å; S439-T574 PolarHBondContact OG-OG1 2.82Å; H445-T574 HydrophobicContact CB-CG2 3.62Å; A571-T574 WeakPolarHBondContact O-CB 3.38Å; A571-T574 PolarHBondContact O-N 2.99Å; A571-T574 PolarHBondContact O-OG1 3.23Å; V572-T574 VanDerWaalsContact C-N 3.27Å; V572-T574 PolarHBondContact O-N 2.9Å; T574-Q576 PolarHBondContact O-N 3.49Å
575I75Confident82.7Confident21 Ų2141.7 Ų41.711%0.10821%0.206CC..SBendtrans-76.7107.8177.1-60.1176.1000108.1F437 L564 V572 Y573 N577 L578F437-I575 HydrophobicContact CB-CD1 3.83Å; F437-I575 HydrophobicContact CB-CG1 4.13Å; F437-I575 HydrophobicContact CD1-CD1 3.7Å; F437-I575 HydrophobicContact CD1-CG1 4.41Å; F437-I575 HydrophobicContact CD1-CG2 3.87Å; F437-I575 HydrophobicContact CD2-CD1 3.82Å; F437-I575 HydrophobicContact CE1-CD1 4.18Å; F437-I575 HydrophobicContact CE1-CG2 4.47Å; F437-I575 HydrophobicContact CE2-CD1 4.27Å; F437-I575 HydrophobicContact CG-CD1 3.51Å; F437-I575 HydrophobicContact CG-CG1 4.28Å; F437-I575 HydrophobicContact CZ-CD1 4.45Å; L564-I575 HydrophobicContact CD2-CD1 3.17Å; L564-I575 HydrophobicContact CD2-CG1 4.18Å; V572-I575 PolarHBondContact O-N 2.79Å; Y573-I575 VanDerWaalsContact C-N 3.33Å; I575-N577 PolarHBondContact O-N 3.01Å; I575-L578 HydrophobicContact CB-CB 4.16Å; I575-L578 HydrophobicContact CB-CD1 3.93Å; I575-L578 HydrophobicContact CD1-CD1 3.83Å; I575-L578 HydrophobicContact CG1-CD1 4.48Å; I575-L578 HydrophobicContact CG2-CB 4.09Å; I575-L578 HydrophobicContact CG2-CD1 3.81Å; I575-L578 PolarHBondContact O-N 3.02Å
576Q62.6Low82.6Confident152 Ų15242.1 Ų42.171%0.7121%0.21SC*.THydrogen-bonded Turntrans-59.3133.6174.4-69.6-178.2-16.400109.7T574 L578T574-Q576 PolarHBondContact O-N 3.49Å; Q576-L578 VanDerWaalsContact C-N 3.29Å; Q576-L578 PolarHBondContact O-N 3.49Å
577N60Low82.5Confident133 Ų13343 Ų4371%0.71121%0.214SC*.THydrogen-bonded Turntrans59.731.4179.2-52.7-44.7000115.1I575 K579I575-N577 PolarHBondContact O-N 3.01Å; N577-K579 PolarHBondContact O-N 3.21Å
578L68.1Low82.4Confident36 Ų3644.3 Ų44.319%0.18822%0.224CC..  trans-62.684.6167.9-167.799.8000110.1Y561 V572 I575 Q576 F580 I583Y561-L578 HydrophobicContact CD2-CD1 4.12Å; Y561-L578 HydrophobicContact CE2-CD1 4.36Å; Y561-L578 HydrophobicContact CE2-CD2 4.09Å; V572-L578 HydrophobicContact CG1-CD2 3.45Å; V572-L578 VanDerWaalsContact CG1-CD2 3.45Å; I575-L578 HydrophobicContact CB-CB 4.16Å; I575-L578 HydrophobicContact CB-CD1 3.93Å; I575-L578 HydrophobicContact CD1-CD1 3.83Å; I575-L578 HydrophobicContact CG1-CD1 4.48Å; I575-L578 HydrophobicContact CG2-CB 4.09Å; I575-L578 HydrophobicContact CG2-CD1 3.81Å; I575-L578 PolarHBondContact O-N 3.02Å; Q576-L578 VanDerWaalsContact C-N 3.29Å; Q576-L578 PolarHBondContact O-N 3.49Å; L578-F580 HydrophobicContact CD2-CE1 4.29Å; L578-I583 HydrophobicContact CD1-CD1 3.42Å; L578-I583 VanDerWaalsContact CD1-CD1 3.42Å; L578-I583 HydrophobicContact CG-CD1 3.97Å
579K75.4Confident82.3Confident113 Ų11343.6 Ų43.649%0.49122%0.224SC..  trans-100.6123.7170.8-66.2-170.3175.6-168.10107.8N577 E581 N582 I583N577-K579 PolarHBondContact O-N 3.21Å; K579-E581 PolarHBondContact O-N 2.94Å; K579-N582 WeakPolarHBondContact O-CB 3.47Å; K579-N582 PolarHBondContact O-N 3.3Å; K579-I583 PolarHBondContact O-N 3.46Å
580F81.8Confident82.3Confident4 Ų444.8 Ų44.82%0.01823%0.233CC..Hα-helixtrans-56.9-36.2178.2-68.8-21.3000112.8I130 G310 Y561 L578 N582 I583 F584 M592 I596I130-F580 HydrophobicContact CD1-CD2 3.93Å; I130-F580 HydrophobicContact CD1-CE1 3.99Å; I130-F580 HydrophobicContact CD1-CE2 3.17Å; I130-F580 HydrophobicContact CD1-CZ 3.22Å; I130-F580 HydrophobicContact CG1-CE2 4.47Å; I130-F580 HydrophobicContact CG2-CD2 3.96Å; I130-F580 HydrophobicContact CG2-CE2 4.19Å; G310-F580 WeakPolarHBondContact O-CZ 3.27Å; Y561-F580 HydrophobicContact CE2-CE1 4.04Å; Y561-F580 AromaticContact CZ-CE1 3.78Å; Y561-F580 VanDerWaalsContact OH-CE1 3.27Å; Y561-F580 WeakPolarHBondContact OH-CE1 3.48Å; L578-F580 HydrophobicContact CD2-CE1 4.29Å; F580-N582 PolarHBondContact O-N 3.49Å; F580-I583 PolarHBondContact O-N 2.86Å; F580-F584 CarbonylContact O-C 3.54Å; F580-F584 PolarHBondContact O-N 2.88Å; F580-M592 HydrophobicContact CB-CE 4.34Å; F580-M592 HydrophobicContact CB-CG 4.19Å; F580-M592 HydrophobicContact CD1-CE 4.14Å; F580-M592 HydrophobicContact CD2-CB 4.15Å; F580-M592 HydrophobicContact CD2-CE 4.42Å; F580-M592 HydrophobicContact CD2-CG 4.45Å; F580-M592 HydrophobicContact CE1-CE 4.47Å; F580-M592 HydrophobicContact CG-CE 4.09Å; F580-I596 HydrophobicContact CE2-CD1 4.19Å; F580-I596 HydrophobicContact CZ-CD1 3.8Å
581E79.4Confident82.6Confident88 Ų8845.5 Ų45.541%0.41124%0.235SC..Hα-helixtrans-55.9-23.6173.7-62.6168.2-16600113.7S132 K579 P585S132-E581 WeakPolarHBondContact CB-OE1 3.22Å; K579-E581 PolarHBondContact O-N 2.94Å; E581-P585 WeakPolarHBondContact O-CA 3.07Å; E581-P585 WeakPolarHBondContact O-CB 3.48Å
582N84.4Confident82.9Confident110 Ų11045.6 Ų45.659%0.58824%0.236SC*.Hα-helixtrans-88.1-36.5177.2-66.2-15.1000112.3K579 F580K579-N582 WeakPolarHBondContact O-CB 3.47Å; K579-N582 PolarHBondContact O-N 3.3Å; F580-N582 PolarHBondContact O-N 3.49Å
583I87.7Confident83.4Confident19 Ų1945.4 Ų45.410%0.09724%0.235CC..Hα-helixtrans-85.5-41.4-175.1-56.1177.8000110.6F437 Q558 Y561 L578 K579 F580 P585F437-I583 HydrophobicContact CE1-CD1 4.22Å; F437-I583 HydrophobicContact CZ-CD1 4.3Å; Q558-I583 HydrophobicContact CG-CG2 4.13Å; Q558-I583 WeakPolarHBondContact CG-O 3.3Å; Q558-I583 PolarHBondContact NE2-O 3.26Å; Y561-I583 HydrophobicContact CD2-CD1 4.08Å; Y561-I583 HydrophobicContact CG-CD1 4.46Å; Y561-I583 HydrophobicContact CG-CG2 4.46Å; L578-I583 HydrophobicContact CD1-CD1 3.42Å; L578-I583 VanDerWaalsContact CD1-CD1 3.42Å; L578-I583 HydrophobicContact CG-CD1 3.97Å; K579-I583 PolarHBondContact O-N 3.46Å; F580-I583 PolarHBondContact O-N 2.86Å; I583-P585 VanDerWaalsContact O-CD 3.32Å; I583-P585 WeakPolarHBondContact O-CD 3.32Å
584F92Very high84.4Confident1 Ų142.8 Ų42.80%0.00423%0.225CC..SBendtrans-124.565.9179.2-65-89.7000109.7Q558 Y561 L562 F580 A586 L587 M592 V595Q558-F584 HydrophobicContact CB-CE1 3.76Å; Q558-F584 HydrophobicContact CB-CZ 3.81Å; Q558-F584 HydrophobicContact CG-CD1 3.8Å; Q558-F584 HydrophobicContact CG-CE1 3.52Å; Q558-F584 HydrophobicContact CG-CE2 4.35Å; Q558-F584 HydrophobicContact CG-CG 4.33Å; Q558-F584 HydrophobicContact CG-CZ 3.83Å; Y561-F584 AromaticContact CD1-CE2 3.51Å; Y561-F584 HydrophobicContact CD1-CE2 3.51Å; Y561-F584 AromaticContact CD1-CZ 3.98Å; Y561-F584 HydrophobicContact CD1-CZ 3.98Å; Y561-F584 HydrophobicContact CE1-CE2 4.06Å; Y561-F584 HydrophobicContact CG-CE2 4.09Å; L562-F584 HydrophobicContact CD2-CZ 4.18Å; F580-F584 CarbonylContact O-C 3.54Å; F580-F584 PolarHBondContact O-N 2.88Å; F584-A586 PolarHBondContact O-N 3.21Å; F584-L587 HydrophobicContact CB-CB 4.23Å; F584-L587 HydrophobicContact CB-CD1 4Å; F584-L587 HydrophobicContact CB-CG 4.12Å; F584-L587 HydrophobicContact CD1-CD1 3.78Å; F584-L587 HydrophobicContact CG-CD1 4.19Å; F584-L587 PolarHBondContact O-N 2.94Å; F584-L587 VanDerWaalsContact O-N 3.11Å; F584-M592 HydrophobicContact CB-CE 4.07Å; F584-M592 HydrophobicContact CB-CG 4.28Å; F584-M592 HydrophobicContact CB-SD 3.14Å; F584-M592 WeakPolarHBondContact CB-SD 3.32Å; F584-M592 HydrophobicContact CD1-SD 3.99Å; F584-M592 HydrophobicContact CD2-CE 3.17Å; F584-M592 HydrophobicContact CD2-SD 3.44Å; F584-M592 WeakPolarHBondContact CD2-SD 3.13Å; F584-M592 HydrophobicContact CE2-CE 3.64Å; F584-M592 HydrophobicContact CE2-SD 4.28Å; F584-M592 HydrophobicContact CG-CE 3.71Å; F584-M592 HydrophobicContact CG-SD 3.25Å; F584-M592 WeakPolarHBondContact CG-SD 3.26Å; F584-M592 HydrophobicContact CZ-CE 4.5Å; F584-V595 HydrophobicContact CZ-CG1 4.47Å
585P91Very high85.5Confident42 Ų4242 Ų4227%0.27322%0.22SC..THydrogen-bonded Turntrans-68-12.6-172.830.4-39.3000114.4E581 I583E581-P585 WeakPolarHBondContact O-CA 3.07Å; E581-P585 WeakPolarHBondContact O-CB 3.48Å; I583-P585 VanDerWaalsContact O-CD 3.32Å; I583-P585 WeakPolarHBondContact O-CD 3.32Å
586A93.5Very high86.6Confident9 Ų941 Ų417%0.07422%0.215CC..THydrogen-bonded Turntrans-93.1-5.7179.600000113R394 L398 N516 F584R394-A586 HydrophobicContact CB-CB 4.2Å; L398-A586 HydrophobicContact CB-CB 4.06Å; L398-A586 HydrophobicContact CD2-CB 3.81Å; N516-A586 VanDerWaalsContact CB-O 3.25Å; N516-A586 WeakPolarHBondContact CB-O 3.47Å; F584-A586 PolarHBondContact O-N 3.21Å
587L93.8Very high88.3Confident19 Ų1933.7 Ų33.710%0.09918%0.181CC..SBendtrans-110.9140.6-174.5-57.1-173000110.5L398 L515 Y526 F584 E591 M592 V595L398-L587 HydrophobicContact CD2-CD2 4.25Å; L515-L587 HydrophobicContact CD1-CD2 3.51Å; Y526-L587 HydrophobicContact CE1-CD1 4.48Å; F584-L587 HydrophobicContact CB-CB 4.23Å; F584-L587 HydrophobicContact CB-CD1 4Å; F584-L587 HydrophobicContact CB-CG 4.12Å; F584-L587 HydrophobicContact CD1-CD1 3.78Å; F584-L587 HydrophobicContact CG-CD1 4.19Å; F584-L587 PolarHBondContact O-N 2.94Å; F584-L587 VanDerWaalsContact O-N 3.11Å; L587-E591 HydrophobicContact CB-CB 4.05Å; L587-E591 HydrophobicContact CD2-CB 4.42Å; L587-M592 HydrophobicContact CB-CG 4.04Å; L587-M592 HydrophobicContact CB-SD 4.04Å; L587-M592 HydrophobicContact CD1-SD 3.69Å; L587-M592 HydrophobicContact CG-SD 4.41Å; L587-V595 HydrophobicContact CD1-CG2 3.8Å
588S91.8Very high90.1Very high34 Ų3427.5 Ų27.524%0.23815%0.148CC..  trans-69.5165.8167.565.70000111.5N516 S590 E591 M592N516-S588 WeakPolarHBondContact OD1-CB 3.24Å; S588-S590 VanDerWaalsContact C-N 3.3Å; S588-S590 PolarHBondContact O-N 3.35Å; S588-E591 WeakPolarHBondContact CB-OE2 3.41Å; S588-E591 PolarHBondContact N-OE2 2.93Å; S588-E591 PolarHBondContact O-N 3.36Å; S588-E591 WeakPolarHBondContact OG-CG 3.4Å; S588-E591 PolarHBondContact OG-N 3.48Å; S588-E591 PolarHBondContact OG-OE2 3.38Å; S588-M592 PolarHBondContact O-N 2.95Å
589S89.3Confident91.6Very high28 Ų2825.8 Ų25.820%0.19614%0.139CC..Hα-helixtrans-56.9-40.5175.8-71.20000113.2S132 M592 I593S132-S589 PolarHBondContact O-OG 3.46Å; S589-M592 WeakPolarHBondContact O-CB 3.46Å; S589-M592 PolarHBondContact O-N 3.47Å; S589-I593 WeakPolarHBondContact O-CG1 3.47Å; S589-I593 PolarHBondContact O-N 2.85Å; S589-I593 VanDerWaalsContact O-N 3.15Å
590S92.5Very high92.7Very high29 Ų2920.6 Ų20.620%0.20312%0.116CC..Hα-helixtrans-65-45.8175.6176.90000111.5H178 S588 M592 I593 H594H178-S590 PolarHBondContact CE1-OG 2.72Å; H178-S590 PolarHBondContact NE2-O 3.2Å; S588-S590 VanDerWaalsContact C-N 3.3Å; S588-S590 PolarHBondContact O-N 3.35Å; S590-M592 PolarHBondContact O-N 3.33Å; S590-I593 WeakPolarHBondContact O-CB 3.45Å; S590-I593 PolarHBondContact O-N 3.43Å; S590-I593 VanDerWaalsContact O-N 3.08Å; S590-H594 PolarHBondContact O-N 2.8Å
591E94.8Very high93.5Very high21 Ų2120.5 Ų20.510%0.09812%0.116CC..Hα-helixtrans-63.7-29.2177.9-70.5159.7154.600112.3L515 N516 L587 S588 H594 V595L515-E591 WeakPolarHBondContact CA-OE1 3.44Å; N516-E591 WeakPolarHBondContact CA-OE2 3.06Å; N516-E591 VanDerWaalsContact N-CD 3.31Å; N516-E591 PolarHBondContact N-OE1 3.24Å; N516-E591 PolarHBondContact N-OE2 3.26Å; L587-E591 HydrophobicContact CB-CB 4.05Å; L587-E591 HydrophobicContact CD2-CB 4.42Å; S588-E591 WeakPolarHBondContact CB-OE2 3.41Å; S588-E591 PolarHBondContact N-OE2 2.93Å; S588-E591 PolarHBondContact O-N 3.36Å; S588-E591 WeakPolarHBondContact OG-CG 3.4Å; S588-E591 PolarHBondContact OG-N 3.48Å; S588-E591 PolarHBondContact OG-OE2 3.38Å; E591-H594 WeakPolarHBondContact O-CB 3.29Å; E591-H594 PolarHBondContact O-N 3.02Å; E591-V595 WeakPolarHBondContact O-CG2 3.47Å; E591-V595 PolarHBondContact O-N 2.93Å
592M93.8Very high94.4Very high2 Ų216.3 Ų16.31%0.0110%0.096CC..Hα-helixtrans-68.3-40.6171.7-80-53.8-56.800113.6F580 F584 L587 S588 S589 S590 H594 V595 I596F580-M592 HydrophobicContact CB-CE 4.34Å; F580-M592 HydrophobicContact CB-CG 4.19Å; F580-M592 HydrophobicContact CD1-CE 4.14Å; F580-M592 HydrophobicContact CD2-CB 4.15Å; F580-M592 HydrophobicContact CD2-CE 4.42Å; F580-M592 HydrophobicContact CD2-CG 4.45Å; F580-M592 HydrophobicContact CE1-CE 4.47Å; F580-M592 HydrophobicContact CG-CE 4.09Å; F584-M592 HydrophobicContact CB-CE 4.07Å; F584-M592 HydrophobicContact CB-CG 4.28Å; F584-M592 HydrophobicContact CB-SD 3.14Å; F584-M592 WeakPolarHBondContact CB-SD 3.32Å; F584-M592 HydrophobicContact CD1-SD 3.99Å; F584-M592 HydrophobicContact CD2-CE 3.17Å; F584-M592 HydrophobicContact CD2-SD 3.44Å; F584-M592 WeakPolarHBondContact CD2-SD 3.13Å; F584-M592 HydrophobicContact CE2-CE 3.64Å; F584-M592 HydrophobicContact CE2-SD 4.28Å; F584-M592 HydrophobicContact CG-CE 3.71Å; F584-M592 HydrophobicContact CG-SD 3.25Å; F584-M592 WeakPolarHBondContact CG-SD 3.26Å; F584-M592 HydrophobicContact CZ-CE 4.5Å; L587-M592 HydrophobicContact CB-CG 4.04Å; L587-M592 HydrophobicContact CB-SD 4.04Å; L587-M592 HydrophobicContact CD1-SD 3.69Å; L587-M592 HydrophobicContact CG-SD 4.41Å; S588-M592 PolarHBondContact O-N 2.95Å; S589-M592 WeakPolarHBondContact O-CB 3.46Å; S589-M592 PolarHBondContact O-N 3.47Å; S590-M592 PolarHBondContact O-N 3.33Å; M592-H594 VanDerWaalsContact C-N 3.27Å; M592-H594 PolarHBondContact O-N 2.85Å; M592-V595 PolarHBondContact O-N 2.85Å; M592-I596 WeakPolarHBondContact O-CG1 3.24Å; M592-I596 PolarHBondContact O-N 2.94Å; M592-I596 VanDerWaalsContact O-N 3.11Å
593I95.1Very high95Very high0 Ų011.1 Ų11.10%07%0.068CC..Hα-helixtrans-61.4-42.9171.4-60.5-50.3000109.5L133 V174 Y177 F307 C311 S589 S590 V595 I596 L597L133-I593 HydrophobicContact CD1-CD1 4.25Å; L133-I593 HydrophobicContact CD2-CD1 3.91Å; L133-I593 HydrophobicContact CD2-CG1 4.17Å; V174-I593 HydrophobicContact CG1-CD1 3.58Å; V174-I593 HydrophobicContact CG1-CG1 3.97Å; V174-I593 HydrophobicContact CG1-CG2 4.19Å; Y177-I593 HydrophobicContact CD2-CB 4.33Å; Y177-I593 HydrophobicContact CD2-CG1 3.76Å; Y177-I593 HydrophobicContact CE2-CG1 3.98Å; F307-I593 HydrophobicContact CE2-CG2 4.12Å; F307-I593 HydrophobicContact CZ-CG2 4.33Å; C311-I593 HydrophobicContact CB-CD1 4.28Å; S589-I593 WeakPolarHBondContact O-CG1 3.47Å; S589-I593 PolarHBondContact O-N 2.85Å; S589-I593 VanDerWaalsContact O-N 3.15Å; S590-I593 WeakPolarHBondContact O-CB 3.45Å; S590-I593 PolarHBondContact O-N 3.43Å; S590-I593 VanDerWaalsContact O-N 3.08Å; I593-V595 VanDerWaalsContact C-N 3.35Å; I593-V595 PolarHBondContact O-N 3.01Å; I593-I596 HydrophobicContact CD1-CD1 4.47Å; I593-I596 CarbonylContact O-C 3.52Å; I593-I596 WeakPolarHBondContact O-CA 3.48Å; I593-I596 WeakPolarHBondContact O-CB 3.34Å; I593-I596 PolarHBondContact O-N 3.14Å; I593-L597 HydrophobicContact CG2-CG 4.48Å; I593-L597 WeakPolarHBondContact O-CG 3.07Å; I593-L597 PolarHBondContact O-N 3.47Å
594H96.4Very high95.6Very high16 Ų1610.3 Ų10.37%0.0746%0.064CC..Hα-helixtrans-58.1-42.9175.8-169-171.2000112.9H178 L510 S590 E591 M592 I596 L597 M598H178-H594 PolarHBondContact NE2-N 2.92Å; L510-H594 PolarHBondContact O-CE1 3.03Å; L510-H594 PolarHBondContact O-NE2 3.42Å; S590-H594 PolarHBondContact O-N 2.8Å; E591-H594 WeakPolarHBondContact O-CB 3.29Å; E591-H594 PolarHBondContact O-N 3.02Å; M592-H594 VanDerWaalsContact C-N 3.27Å; M592-H594 PolarHBondContact O-N 2.85Å; H594-I596 VanDerWaalsContact C-N 3.3Å; H594-I596 PolarHBondContact O-N 3.34Å; H594-L597 WeakPolarHBondContact O-CB 3.32Å; H594-L597 PolarHBondContact O-N 3.15Å; H594-M598 PolarHBondContact O-N 2.83Å
595V97.2Very high95.9Very high4 Ų411.5 Ų11.52%0.0247%0.07CC..Hα-helixtrans-58.3-43.2172.4169.20000111.3Y526 V530 L562 F584 L587 E591 M592 I593 L597 M598 I599Y526-V595 HydrophobicContact CE1-CG2 4.5Å; V530-V595 HydrophobicContact CG1-CG1 4.31Å; L562-V595 HydrophobicContact CD2-CG1 3.81Å; F584-V595 HydrophobicContact CZ-CG1 4.47Å; L587-V595 HydrophobicContact CD1-CG2 3.8Å; E591-V595 WeakPolarHBondContact O-CG2 3.47Å; E591-V595 PolarHBondContact O-N 2.93Å; M592-V595 PolarHBondContact O-N 2.85Å; I593-V595 VanDerWaalsContact C-N 3.35Å; I593-V595 PolarHBondContact O-N 3.01Å; V595-L597 VanDerWaalsContact C-N 3.33Å; V595-L597 PolarHBondContact O-N 3.26Å; V595-M598 HydrophobicContact CB-CE 4.36Å; V595-M598 HydrophobicContact CG2-CE 3.97Å; V595-M598 PolarHBondContact O-N 3.21Å; V595-I599 HydrophobicContact CG1-CD1 4.19Å; V595-I599 VanDerWaalsContact O-CG1 3.3Å; V595-I599 WeakPolarHBondContact O-CG1 3.2Å; V595-I599 PolarHBondContact O-N 2.69Å
596I97.3Very high96.2Very high0 Ų09.5 Ų9.50%06%0.057CC..Hα-helixtrans-65.1-37.7177.7-63.1165.7000111.3F307 F580 M592 I593 H594 I599 I600F307-I596 HydrophobicContact CD2-CG2 3.86Å; F307-I596 HydrophobicContact CE2-CG2 4.48Å; F580-I596 HydrophobicContact CE2-CD1 4.19Å; F580-I596 HydrophobicContact CZ-CD1 3.8Å; M592-I596 WeakPolarHBondContact O-CG1 3.24Å; M592-I596 PolarHBondContact O-N 2.94Å; M592-I596 VanDerWaalsContact O-N 3.11Å; I593-I596 HydrophobicContact CD1-CD1 4.47Å; I593-I596 CarbonylContact O-C 3.52Å; I593-I596 WeakPolarHBondContact O-CA 3.48Å; I593-I596 WeakPolarHBondContact O-CB 3.34Å; I593-I596 PolarHBondContact O-N 3.14Å; H594-I596 VanDerWaalsContact C-N 3.3Å; H594-I596 PolarHBondContact O-N 3.34Å; I596-I599 WeakPolarHBondContact O-CB 3.45Å; I596-I599 PolarHBondContact O-N 3.18Å; I596-I600 HydrophobicContact CG2-CG2 4.3Å; I596-I600 WeakPolarHBondContact O-CG2 3.43Å; I596-I600 PolarHBondContact O-N 3.47Å
597L98.5Very high96.4Very high0 Ų09.2 Ų9.20%05%0.054CC..Hα-helixtrans-58.9-46.6172.9-63.9-178.5000111.2H178 Y181 F307 I593 H594 V595 I599 I600 E601H178-L597 HydrophobicContact CB-CD1 4.05Å; Y181-L597 HydrophobicContact CD1-CD1 3.59Å; Y181-L597 HydrophobicContact CD1-CD2 3.72Å; Y181-L597 HydrophobicContact CD1-CG 4.23Å; Y181-L597 HydrophobicContact CD2-CD1 4.31Å; Y181-L597 HydrophobicContact CE1-CD1 4.12Å; Y181-L597 HydrophobicContact CE1-CD2 3.35Å; Y181-L597 HydrophobicContact CE1-CG 4.27Å; Y181-L597 HydrophobicContact CE2-CD2 4.47Å; Y181-L597 HydrophobicContact CG-CD1 3.71Å; Y181-L597 HydrophobicContact CG-CD2 4.44Å; F307-L597 HydrophobicContact CD2-CD2 3.78Å; F307-L597 HydrophobicContact CE2-CD2 3.45Å; F307-L597 VanDerWaalsContact CE2-CD2 3.45Å; F307-L597 HydrophobicContact CE2-CG 4.36Å; F307-L597 HydrophobicContact CZ-CD2 4.47Å; I593-L597 HydrophobicContact CG2-CG 4.48Å; I593-L597 WeakPolarHBondContact O-CG 3.07Å; I593-L597 PolarHBondContact O-N 3.47Å; H594-L597 WeakPolarHBondContact O-CB 3.32Å; H594-L597 PolarHBondContact O-N 3.15Å; V595-L597 VanDerWaalsContact C-N 3.33Å; V595-L597 PolarHBondContact O-N 3.26Å; L597-I599 VanDerWaalsContact C-N 3.3Å; L597-I599 PolarHBondContact O-N 3Å; L597-I600 HydrophobicContact CD2-CD1 4.21Å; L597-I600 VanDerWaalsContact O-CG1 3.32Å; L597-I600 WeakPolarHBondContact O-CG1 3.19Å; L597-I600 PolarHBondContact O-N 2.82Å; L597-E601 WeakPolarHBondContact O-CB 3.49Å; L597-E601 WeakPolarHBondContact O-CG 3.46Å; L597-E601 PolarHBondContact O-N 2.93Å; L597-E601 VanDerWaalsContact O-N 3.16Å
598M98.5Very high96.6Very high3 Ų38.3 Ų8.32%0.0155%0.05CC..Hα-helixtrans-59.4-41174.5-68.6-173.4-71.400112.1R527 V530 W531 H594 V595 I600 E601 A602R527-M598 HydrophobicContact CB-CE 4.46Å; R527-M598 HydrophobicContact CB-SD 3.69Å; R527-M598 HydrophobicContact CG-CE 4.1Å; R527-M598 HydrophobicContact CG-SD 3.76Å; V530-M598 HydrophobicContact CB-CE 4.1Å; V530-M598 HydrophobicContact CG1-CB 4.18Å; V530-M598 HydrophobicContact CG1-CE 3.97Å; V530-M598 HydrophobicContact CG2-CE 4.39Å; W531-M598 HydrophobicContact CE3-CB 4.36Å; H594-M598 PolarHBondContact O-N 2.83Å; V595-M598 HydrophobicContact CB-CE 4.36Å; V595-M598 HydrophobicContact CG2-CE 3.97Å; V595-M598 PolarHBondContact O-N 3.21Å; M598-I600 PolarHBondContact O-N 3.32Å; M598-E601 PolarHBondContact O-N 3.14Å; M598-A602 WeakPolarHBondContact O-CB 3.27Å; M598-A602 PolarHBondContact O-N 2.75Å
599I98.6Very high96.9Very high0 Ų07.1 Ų7.10%04%0.041CC..Hα-helixtrans-59-49.9178.6-65.7166.7000111.5V534 Y561 L562 C565 V595 I596 L597 E601 R603V534-I599 HydrophobicContact CG1-CG2 4.44Å; V534-I599 HydrophobicContact CG2-CB 4.38Å; V534-I599 HydrophobicContact CG2-CG1 4Å; V534-I599 HydrophobicContact CG2-CG2 4.31Å; Y561-I599 HydrophobicContact CE1-CD1 4.29Å; L562-I599 HydrophobicContact CD2-CD1 3.44Å; L562-I599 VanDerWaalsContact CD2-CD1 3.44Å; L562-I599 HydrophobicContact CD2-CG1 3.75Å; C565-I599 HydrophobicContact CB-CD1 4.14Å; C565-I599 HydrophobicContact CB-CG2 4.35Å; V595-I599 HydrophobicContact CG1-CD1 4.19Å; V595-I599 VanDerWaalsContact O-CG1 3.3Å; V595-I599 WeakPolarHBondContact O-CG1 3.2Å; V595-I599 PolarHBondContact O-N 2.69Å; I596-I599 WeakPolarHBondContact O-CB 3.45Å; I596-I599 PolarHBondContact O-N 3.18Å; L597-I599 VanDerWaalsContact C-N 3.3Å; L597-I599 PolarHBondContact O-N 3Å; I599-E601 VanDerWaalsContact C-N 3.31Å; I599-E601 PolarHBondContact O-N 3.41Å; I599-R603 WeakPolarHBondContact O-CB 3.34Å; I599-R603 PolarHBondContact O-N 2.68Å
600I98.4Very high97.3Very high3 Ų36 Ų62%0.0153%0.033CC..Hα-helixtrans-69.3-34.7-173.772.8179.7000111.5A303 C306 F307 I596 L597 M598 Q604A303-I600 HydrophobicContact CB-CB 4.15Å; A303-I600 WeakPolarHBondContact O-CG2 3.38Å; C306-I600 HydrophobicContact CB-CG2 3.59Å; F307-I600 HydrophobicContact CB-CD1 3.9Å; F307-I600 HydrophobicContact CB-CG2 4.04Å; F307-I600 HydrophobicContact CD2-CD1 4Å; F307-I600 HydrophobicContact CG-CD1 4.28Å; I596-I600 HydrophobicContact CG2-CG2 4.3Å; I596-I600 WeakPolarHBondContact O-CG2 3.43Å; I596-I600 PolarHBondContact O-N 3.47Å; L597-I600 HydrophobicContact CD2-CD1 4.21Å; L597-I600 VanDerWaalsContact O-CG1 3.32Å; L597-I600 WeakPolarHBondContact O-CG1 3.19Å; L597-I600 PolarHBondContact O-N 2.82Å; M598-I600 PolarHBondContact O-N 3.32Å; I600-Q604 WeakPolarHBondContact O-CB 3.41Å; I600-Q604 PolarHBondContact O-N 3.19Å
601E98.7Very high97.6Very high2 Ų24.8 Ų4.81%0.0092%0.024CC..Hα-helixtrans-75.5-45.5-179.2-64.8-57.8154.400111.9Y181 K503 F504 A507 W531 L597 M598 I599 R603 Q604 Q605Y181-E601 HydrophobicContact CE2-CG 3.92Å; Y181-E601 PolarHBondContact OH-OE1 3.31Å; K503-E601 WeakPolarHBondContact CD-OE1 3.42Å; K503-E601 IonicContact NZ-OE1 3.64Å; K503-E601 PolarHBondContact NZ-OE1 3.25Å; K503-E601 IonicContact NZ-OE2 3.65Å; K503-E601 PolarHBondContact NZ-OE2 3.07Å; F504-E601 HydrophobicContact CD1-CB 4.17Å; F504-E601 WeakPolarHBondContact CD1-OE2 3.42Å; F504-E601 WeakPolarHBondContact CE1-OE2 3.35Å; A507-E601 HydrophobicContact CB-CB 4.01Å; A507-E601 HydrophobicContact CB-CG 3.56Å; W531-E601 HydrophobicContact CH2-CB 3.67Å; W531-E601 HydrophobicContact CZ3-CB 3.61Å; L597-E601 WeakPolarHBondContact O-CB 3.49Å; L597-E601 WeakPolarHBondContact O-CG 3.46Å; L597-E601 PolarHBondContact O-N 2.93Å; L597-E601 VanDerWaalsContact O-N 3.16Å; M598-E601 PolarHBondContact O-N 3.14Å; I599-E601 VanDerWaalsContact C-N 3.31Å; I599-E601 PolarHBondContact O-N 3.41Å; E601-R603 VanDerWaalsContact C-N 3.3Å; E601-R603 PolarHBondContact O-N 2.88Å; E601-Q604 PolarHBondContact O-N 3.48Å; E601-Q604 VanDerWaalsContact O-N 3.14Å; E601-Q605 PolarHBondContact O-N 3.47Å
602A98.7Very high97.7Very high0 Ų03.8 Ų3.80%02%0.019CC..Hα-helixtrans-57.4-44.1173.400000111.6W531 V534 Q535 M598 A606W531-A602 HydrophobicContact CD2-CB 3.62Å; W531-A602 HydrophobicContact CE3-CB 3.85Å; W531-A602 HydrophobicContact CG-CB 4.02Å; W531-A602 HydrophobicContact CZ2-CB 4.29Å; W531-A602 HydrophobicContact CZ3-CB 4.3Å; V534-A602 HydrophobicContact CB-CB 3.92Å; V534-A602 HydrophobicContact CG1-CB 3.74Å; Q535-A602 HydrophobicContact CG-CB 4Å; Q535-A602 PolarHBondContact NE2-O 3.45Å; M598-A602 WeakPolarHBondContact O-CB 3.27Å; M598-A602 PolarHBondContact O-N 2.75Å; A602-A606 WeakPolarHBondContact O-CB 3.43Å; A602-A606 PolarHBondContact O-N 3.35Å; A602-A606 VanDerWaalsContact O-N 3.08Å
603R98.3Very high97.9Very high1 Ų16.2 Ų6.20%0.0043%0.028CC..Hα-helixtrans-59.2-51.3173.3177-174.2-175.2165.7-0.4111S259 C306 F538 S566 I599 E601 Q605 A606 C607S259-R603 PolarHBondContact O-NH2 2.82Å; C306-R603 PolarHBondContact SG-NH1 3.17Å; F538-R603 HydrophobicContact CE1-CG 4.47Å; F538-R603 HydrophobicContact CE2-CB 4.24Å; F538-R603 HydrophobicContact CE2-CG 3.97Å; F538-R603 HydrophobicContact CZ-CB 4.49Å; F538-R603 HydrophobicContact CZ-CG 3.73Å; S566-R603 WeakPolarHBondContact O-CD 3.47Å; S566-R603 PolarHBondContact O-NE 2.89Å; S566-R603 VanDerWaalsContact O-NE 3.16Å; S566-R603 PolarHBondContact O-NH1 2.72Å; I599-R603 WeakPolarHBondContact O-CB 3.34Å; I599-R603 PolarHBondContact O-N 2.68Å; E601-R603 VanDerWaalsContact C-N 3.3Å; E601-R603 PolarHBondContact O-N 2.88Å; R603-Q605 VanDerWaalsContact C-N 3.34Å; R603-Q605 PolarHBondContact O-N 3.18Å; R603-A606 PolarHBondContact O-N 2.76Å; R603-C607 PolarHBondContact O-N 3.3Å; R603-C607 PolarHBondContact O-SG 3.41Å
604Q98.6Very high98Very high3 Ų36.2 Ų6.21%0.0143%0.029CC..Hα-helixtrans-61.2-45.3-175.2-167179.52.500111.1S299 A303 F504 I600 E601 C607 L608S299-Q604 PolarHBondContact OG-NE2 3.35Å; S299-Q604 VanDerWaalsContact OG-NE2 3.15Å; A303-Q604 HydrophobicContact CB-CB 3.98Å; A303-Q604 HydrophobicContact CB-CG 4.34Å; F504-Q604 HydrophobicContact CE1-CB 3.99Å; F504-Q604 HydrophobicContact CE1-CG 4.28Å; F504-Q604 HydrophobicContact CZ-CB 4.3Å; F504-Q604 HydrophobicContact CZ-CG 4.2Å; I600-Q604 WeakPolarHBondContact O-CB 3.41Å; I600-Q604 PolarHBondContact O-N 3.19Å; E601-Q604 PolarHBondContact O-N 3.48Å; E601-Q604 VanDerWaalsContact O-N 3.14Å; Q604-C607 PolarHBondContact O-N 3.14Å; Q604-L608 HydrophobicContact CG-CD1 4.14Å; Q604-L608 WeakPolarHBondContact O-CB 3.31Å; Q604-L608 WeakPolarHBondContact O-CG 3.32Å; Q604-L608 PolarHBondContact O-N 3.2Å
605Q98.4Very high98Very high26 Ų265.8 Ų5.812%0.1213%0.027CC..Hα-helixtrans-61.3-45.9177.8-168.2-173.753.600111.2W481 F504 W531 E601 R603 C607 L608 S609W481-Q605 HydrophobicContact CB-CG 4.4Å; W481-Q605 HydrophobicContact CD2-CG 4.4Å; W481-Q605 HydrophobicContact CG-CG 4.3Å; F504-Q605 HydrophobicContact CD1-CB 4.31Å; F504-Q605 HydrophobicContact CD2-CB 4.27Å; F504-Q605 HydrophobicContact CD2-CG 4.11Å; F504-Q605 HydrophobicContact CE1-CB 4.13Å; F504-Q605 HydrophobicContact CE2-CB 4.05Å; F504-Q605 HydrophobicContact CE2-CG 4.08Å; F504-Q605 HydrophobicContact CG-CB 4.41Å; F504-Q605 HydrophobicContact CZ-CB 4Å; W531-Q605 HydrophobicContact CZ2-CB 4.4Å; E601-Q605 PolarHBondContact O-N 3.47Å; R603-Q605 VanDerWaalsContact C-N 3.34Å; R603-Q605 PolarHBondContact O-N 3.18Å; Q605-C607 PolarHBondContact O-N 2.9Å; Q605-L608 PolarHBondContact O-N 3.35Å; Q605-S609 PolarHBondContact O-N 3.03Å; Q605-S609 PolarHBondContact O-OG 3.47Å; Q605-S609 VanDerWaalsContact O-OG 3.1Å
606A97.9Very high98Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-58.7-46.5177.500000112.3Q535 F538 I540 A602 R603 L608 S609 Y610Q535-A606 HydrophobicContact CG-CB 4.33Å; F538-A606 HydrophobicContact CB-CB 4.09Å; F538-A606 HydrophobicContact CD2-CB 4.47Å; F538-A606 HydrophobicContact CG-CB 4.39Å; I540-A606 HydrophobicContact CD1-CB 4.38Å; I540-A606 HydrophobicContact CG1-CB 3.83Å; A602-A606 WeakPolarHBondContact O-CB 3.43Å; A602-A606 PolarHBondContact O-N 3.35Å; A602-A606 VanDerWaalsContact O-N 3.08Å; R603-A606 PolarHBondContact O-N 2.76Å; A606-L608 VanDerWaalsContact C-N 3.34Å; A606-L608 PolarHBondContact O-N 3.39Å; A606-S609 PolarHBondContact O-N 2.91Å; A606-Y610 VanDerWaalsContact O-CD2 3.23Å; A606-Y610 WeakPolarHBondContact O-CD2 3.23Å; A606-Y610 PolarHBondContact O-N 3.25Å
607C98Very high97.9Very high3 Ų311.4 Ų11.42%0.026%0.057CC..Hα-helixtrans-59.8-43.6176-72.70000112L258 P262 R603 Q604 Q605 I611L258-C607 HydrophobicContact CD1-CB 3.9Å; L258-C607 HydrophobicContact CG-CB 4.46Å; L258-C607 PolarHBondContact O-SG 2.78Å; P262-C607 HydrophobicContact CB-CB 4.42Å; R603-C607 PolarHBondContact O-N 3.3Å; R603-C607 PolarHBondContact O-SG 3.41Å; Q604-C607 PolarHBondContact O-N 3.14Å; Q605-C607 PolarHBondContact O-N 2.9Å; C607-I611 WeakPolarHBondContact O-CG2 3.1Å; C607-I611 PolarHBondContact O-N 3.5Å
608L98.3Very high97.7Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-66.3-39.9179.2-75.5172.5000112.5M292 V295 W481 L500 F504 Q604 Q605 A606 Y610 I611 L612M292-L608 HydrophobicContact CE-CD2 4.32Å; V295-L608 HydrophobicContact CG1-CD2 3.73Å; W481-L608 HydrophobicContact CH2-CD1 4.45Å; W481-L608 HydrophobicContact CZ3-CB 4.25Å; W481-L608 HydrophobicContact CZ3-CD1 4.27Å; L500-L608 HydrophobicContact CD1-CD1 3.88Å; L500-L608 HydrophobicContact CD2-CD1 4.09Å; F504-L608 HydrophobicContact CE2-CD1 4.17Å; F504-L608 HydrophobicContact CZ-CD1 3.82Å; Q604-L608 HydrophobicContact CG-CD1 4.14Å; Q604-L608 WeakPolarHBondContact O-CB 3.31Å; Q604-L608 WeakPolarHBondContact O-CG 3.32Å; Q604-L608 PolarHBondContact O-N 3.2Å; Q605-L608 PolarHBondContact O-N 3.35Å; A606-L608 VanDerWaalsContact C-N 3.34Å; A606-L608 PolarHBondContact O-N 3.39Å; L608-Y610 VanDerWaalsContact C-N 3.31Å; L608-Y610 PolarHBondContact O-N 3.03Å; L608-I611 HydrophobicContact CD2-CG2 4.45Å; L608-I611 VanDerWaalsContact O-CG2 3.29Å; L608-I611 WeakPolarHBondContact O-CG2 3.4Å; L608-I611 PolarHBondContact O-N 3.17Å; L608-L612 HydrophobicContact CB-CD1 4.32Å; L608-L612 VanDerWaalsContact O-CB 3.24Å; L608-L612 WeakPolarHBondContact O-CB 3.43Å; L608-L612 VanDerWaalsContact O-CG 3.31Å; L608-L612 WeakPolarHBondContact O-CG 3.28Å; L608-L612 PolarHBondContact O-N 3.01Å
609S97.7Very high97.5Very high9 Ų913 Ų136%0.0637%0.065CC..Hα-helixtrans-58.3-43.3177.8-63.70000111.9Q605 A606 R613Q605-S609 PolarHBondContact O-N 3.03Å; Q605-S609 PolarHBondContact O-OG 3.47Å; Q605-S609 VanDerWaalsContact O-OG 3.1Å; A606-S609 PolarHBondContact O-N 2.91Å; S609-R613 WeakPolarHBondContact O-CB 3.24Å; S609-R613 PolarHBondContact O-N 2.76Å
610Y97.9Very high97.1Very high5 Ų517.7 Ų17.72%0.029%0.094CC..Hα-helixtrans-62.8-48.1178.3-80.1-65.9000113.2P262 W263 F474 F538 I540 A606 L608 R613 A614P262-Y610 HydrophobicContact CB-CD2 3.79Å; P262-Y610 HydrophobicContact CB-CG 4.26Å; P262-Y610 HydrophobicContact CG-CD2 3.94Å; P262-Y610 HydrophobicContact CG-CE2 4.33Å; P262-Y610 WeakPolarHBondContact O-CB 3.37Å; W263-Y610 HydrophobicContact CB-CD1 4.05Å; W263-Y610 HydrophobicContact CB-CE1 3.47Å; W263-Y610 VanDerWaalsContact CB-CE1 3.47Å; W263-Y610 HydrophobicContact CB-CE2 4.08Å; W263-Y610 VanDerWaalsContact CB-CZ 3.49Å; F474-Y610 HydrophobicContact CB-CE1 4.01Å; F474-Y610 AromaticContact CD1-CD1 3.71Å; F474-Y610 HydrophobicContact CD1-CD1 3.71Å; F474-Y610 AromaticContact CD1-CE1 3.28Å; F474-Y610 HydrophobicContact CD1-CE1 3.28Å; F474-Y610 HydrophobicContact CD1-CE2 4.19Å; F474-Y610 HydrophobicContact CD1-CG 4.33Å; F474-Y610 AromaticContact CD1-CZ 3.55Å; F474-Y610 HydrophobicContact CE1-CD1 4.05Å; F474-Y610 HydrophobicContact CE1-CE1 4.09Å; F474-Y610 HydrophobicContact CE1-CG 4.43Å; F474-Y610 HydrophobicContact CG-CE1 4.02Å; F538-Y610 VanDerWaalsContact O-CE2 3.24Å; F538-Y610 WeakPolarHBondContact O-CE2 3.33Å; F538-Y610 PolarHBondContact O-OH 2.97Å; I540-Y610 HydrophobicContact CD1-CE2 4.09Å; I540-Y610 HydrophobicContact CG1-CE2 4.45Å; A606-Y610 VanDerWaalsContact O-CD2 3.23Å; A606-Y610 WeakPolarHBondContact O-CD2 3.23Å; A606-Y610 PolarHBondContact O-N 3.25Å; L608-Y610 VanDerWaalsContact C-N 3.31Å; L608-Y610 PolarHBondContact O-N 3.03Å; Y610-R613 PolarHBondContact O-N 3.18Å; Y610-A614 PolarHBondContact O-N 3.49Å
611I97.8Very high96.5Very high2 Ų224.7 Ų24.71%0.0112%0.12CC..Hα-helixtrans-73.8-37.7-175.7-170.5160.1000112.1L254 L258 I265 I270 V295 C607 L608 R613 A614 V615L254-I611 HydrophobicContact CD1-CD1 3.74Å; L254-I611 HydrophobicContact CD2-CD1 4.04Å; L254-I611 HydrophobicContact CG-CD1 4.15Å; L258-I611 HydrophobicContact CD1-CB 4.24Å; L258-I611 HydrophobicContact CD1-CD1 4.31Å; L258-I611 HydrophobicContact CD1-CG2 4.13Å; I265-I611 HydrophobicContact CD1-CB 4.3Å; I265-I611 HydrophobicContact CD1-CD1 4.28Å; I265-I611 HydrophobicContact CG2-CG1 4.33Å; I270-I611 HydrophobicContact CD1-CG1 4.15Å; V295-I611 HydrophobicContact CB-CD1 4.2Å; V295-I611 HydrophobicContact CG1-CD1 3.83Å; V295-I611 HydrophobicContact CG1-CG1 4.36Å; V295-I611 HydrophobicContact CG1-CG2 3.57Å; V295-I611 HydrophobicContact CG2-CD1 3.27Å; V295-I611 HydrophobicContact CG2-CG1 4.22Å; C607-I611 WeakPolarHBondContact O-CG2 3.1Å; C607-I611 PolarHBondContact O-N 3.5Å; L608-I611 HydrophobicContact CD2-CG2 4.45Å; L608-I611 VanDerWaalsContact O-CG2 3.29Å; L608-I611 WeakPolarHBondContact O-CG2 3.4Å; L608-I611 PolarHBondContact O-N 3.17Å; I611-R613 VanDerWaalsContact C-N 3.34Å; I611-A614 WeakPolarHBondContact O-CB 3.38Å; I611-A614 PolarHBondContact O-N 3.33Å; I611-V615 VanDerWaalsContact O-CG2 3.32Å; I611-V615 WeakPolarHBondContact O-CG2 3.49Å; I611-V615 PolarHBondContact O-N 3.12Å
612L98Very high95.1Very high1 Ų128.4 Ų28.41%0.00514%0.139CC..Hα-helixtrans-66-37.9174.6-74.2169.7000111.4M292 Y479 W481 L488 A489 L608 A614 V615 S616M292-L612 HydrophobicContact CE-CD2 4.16Å; M292-L612 HydrophobicContact SD-CD2 3.49Å; M292-L612 WeakPolarHBondContact SD-CD2 3.37Å; Y479-L612 HydrophobicContact CE1-CB 3.98Å; Y479-L612 WeakPolarHBondContact OH-CB 3.47Å; W481-L612 HydrophobicContact CE3-CD1 4.33Å; W481-L612 HydrophobicContact CZ3-CD1 3.68Å; L488-L612 HydrophobicContact CD2-CB 4.18Å; L488-L612 HydrophobicContact CD2-CD2 3.92Å; L488-L612 WeakPolarHBondContact CD2-O 3.23Å; L488-L612 HydrophobicContact CG-CD2 4.01Å; A489-L612 HydrophobicContact CB-CD1 4.48Å; L608-L612 HydrophobicContact CB-CD1 4.32Å; L608-L612 VanDerWaalsContact O-CB 3.24Å; L608-L612 WeakPolarHBondContact O-CB 3.43Å; L608-L612 VanDerWaalsContact O-CG 3.31Å; L608-L612 WeakPolarHBondContact O-CG 3.28Å; L608-L612 PolarHBondContact O-N 3.01Å; L612-A614 PolarHBondContact O-N 3.33Å; L612-V615 PolarHBondContact O-N 3.23Å; L612-S616 WeakPolarHBondContact O-CB 3.42Å; L612-S616 PolarHBondContact O-N 3.2Å
613R97.3Very high93.1Very high52 Ų5237.6 Ų37.620%0.19619%0.189CC..Hα-helixtrans-59.6-45.6170.3-171-179.476.4176.93111.6E478 Y479 S609 Y610 I611 V615 S616 Q617E478-R613 IonicContact OE2-NH1 3.43Å; Y479-R613 HydrophobicContact CD1-CB 3.89Å; Y479-R613 HydrophobicContact CD1-CG 4.46Å; Y479-R613 HydrophobicContact CD2-CB 3.99Å; Y479-R613 HydrophobicContact CD2-CG 3.9Å; Y479-R613 HydrophobicContact CE1-CB 4.14Å; Y479-R613 HydrophobicContact CE2-CB 4.23Å; Y479-R613 HydrophobicContact CE2-CG 4.48Å; Y479-R613 HydrophobicContact CG-CB 3.82Å; Y479-R613 HydrophobicContact CG-CG 3.89Å; S609-R613 WeakPolarHBondContact O-CB 3.24Å; S609-R613 PolarHBondContact O-N 2.76Å; Y610-R613 PolarHBondContact O-N 3.18Å; I611-R613 VanDerWaalsContact C-N 3.34Å; R613-V615 VanDerWaalsContact C-N 3.33Å; R613-V615 PolarHBondContact O-N 3.49Å; R613-S616 PolarHBondContact O-N 3.46Å; R613-Q617 VanDerWaalsContact O-CG 3.3Å; R613-Q617 WeakPolarHBondContact O-CG 3.4Å; R613-Q617 PolarHBondContact O-N 3.38Å
614A97.3Very high92.8Very high1 Ų139.4 Ų39.41%0.00820%0.198CC..Hα-helixtrans-62.3-39.6176.600000112.2I265 I270 Y610 I611 L612 Q617 C618I265-A614 HydrophobicContact CG2-CB 4.03Å; I270-A614 HydrophobicContact CD1-CB 4.44Å; I270-A614 HydrophobicContact CG1-CB 3.9Å; Y610-A614 PolarHBondContact O-N 3.49Å; I611-A614 WeakPolarHBondContact O-CB 3.38Å; I611-A614 PolarHBondContact O-N 3.33Å; L612-A614 PolarHBondContact O-N 3.33Å; A614-Q617 PolarHBondContact O-N 3.34Å; A614-C618 WeakPolarHBondContact O-CB 3.48Å; A614-C618 PolarHBondContact O-N 3.11Å
615V97.2Very high92.5Very high6 Ų641.3 Ų41.34%0.03621%0.208CC..Hα-helixtrans-63.3-46.4174.5171.50000111.2I270 L288 L291 L488 L492 I611 L612 R613 Q617 C618 Q619I270-V615 HydrophobicContact CD1-CG2 3.96Å; I270-V615 HydrophobicContact CG1-CG2 4.1Å; I270-V615 HydrophobicContact CG2-CG2 3.96Å; L288-V615 HydrophobicContact CD2-CG1 4.1Å; L291-V615 HydrophobicContact CD2-CG2 4.43Å; L488-V615 HydrophobicContact CD2-CB 4.41Å; L488-V615 HydrophobicContact CD2-CG1 4.26Å; L492-V615 HydrophobicContact CD1-CG1 3.82Å; I611-V615 VanDerWaalsContact O-CG2 3.32Å; I611-V615 WeakPolarHBondContact O-CG2 3.49Å; I611-V615 PolarHBondContact O-N 3.12Å; L612-V615 PolarHBondContact O-N 3.23Å; R613-V615 VanDerWaalsContact C-N 3.33Å; R613-V615 PolarHBondContact O-N 3.49Å; V615-Q617 PolarHBondContact O-N 3.27Å; V615-C618 WeakPolarHBondContact O-CB 3.27Å; V615-C618 PolarHBondContact O-N 3.21Å; V615-Q619 WeakPolarHBondContact O-CG 3.49Å; V615-Q619 PolarHBondContact O-N 3.08Å
616S96.2Very high92.2Very high39 Ų3942.2 Ų42.227%0.27321%0.212SC..Hα-helixtrans-57.7-48.9176.3-175.90000111.3L612 R613 C618 Q619 V620L612-S616 WeakPolarHBondContact O-CB 3.42Å; L612-S616 PolarHBondContact O-N 3.2Å; R613-S616 PolarHBondContact O-N 3.46Å; S616-C618 VanDerWaalsContact C-N 3.32Å; S616-C618 PolarHBondContact O-N 3.08Å; S616-Q619 PolarHBondContact O-N 2.8Å; S616-Q619 VanDerWaalsContact O-N 3.17Å; S616-V620 WeakPolarHBondContact O-CG2 3.1Å; S616-V620 PolarHBondContact O-N 3.07Å
617Q96Very high91.8Very high84 Ų8444.6 Ų44.639%0.39323%0.225SC..Hα-helixtrans-60.5-39.3176.8-71.4174-4.200112.6A267 R613 A614 V615 V620 R621A267-Q617 HydrophobicContact CB-CB 3.92Å; R613-Q617 VanDerWaalsContact O-CG 3.3Å; R613-Q617 WeakPolarHBondContact O-CG 3.4Å; R613-Q617 PolarHBondContact O-N 3.38Å; A614-Q617 PolarHBondContact O-N 3.34Å; V615-Q617 PolarHBondContact O-N 3.27Å; Q617-V620 PolarHBondContact O-N 3.29Å; Q617-R621 WeakPolarHBondContact O-CG 3.43Å; Q617-R621 PolarHBondContact O-N 3.05Å
618C94.7Very high91.5Very high4 Ų447.3 Ų47.33%0.02724%0.238CC..Hα-helixtrans-64.8-41.9175.6-175.30000111.9A267 I270 A614 V615 S616 V620 R621 N622A267-C618 HydrophobicContact CB-CB 4.1Å; I270-C618 HydrophobicContact CB-CB 4.05Å; I270-C618 HydrophobicContact CG2-CB 3.98Å; A614-C618 WeakPolarHBondContact O-CB 3.48Å; A614-C618 PolarHBondContact O-N 3.11Å; V615-C618 WeakPolarHBondContact O-CB 3.27Å; V615-C618 PolarHBondContact O-N 3.21Å; S616-C618 VanDerWaalsContact C-N 3.32Å; S616-C618 PolarHBondContact O-N 3.08Å; C618-V620 VanDerWaalsContact C-N 3.34Å; C618-V620 PolarHBondContact O-N 3.01Å; C618-R621 PolarHBondContact O-N 3.2Å; C618-N622 PolarHBondContact O-N 2.67Å
619Q92.7Very high91Very high32 Ų3250.4 Ų50.415%0.1525%0.253CS..Hα-helixtrans-64.3-39.5177.7-73.5-177.5-47.200111.9L288 V615 S616 R621 N622 N623L288-Q619 HydrophobicContact CD1-CG 3.95Å; V615-Q619 WeakPolarHBondContact O-CG 3.49Å; V615-Q619 PolarHBondContact O-N 3.08Å; S616-Q619 PolarHBondContact O-N 2.8Å; S616-Q619 VanDerWaalsContact O-N 3.17Å; Q619-R621 VanDerWaalsContact C-N 3.33Å; Q619-R621 PolarHBondContact O-N 2.79Å; Q619-N622 PolarHBondContact O-N 2.82Å; Q619-N623 PolarHBondContact O-N 2.87Å; Q619-N623 PolarHBondContact O-ND2 3.03Å
620V90.7Very high90.5Very high99 Ų9953.4 Ų53.460%0.627%0.267SS*.Hα-helixtrans-65.8-35.1177.3174.10000112S616 Q617 C618 N622S616-V620 WeakPolarHBondContact O-CG2 3.1Å; S616-V620 PolarHBondContact O-N 3.07Å; Q617-V620 PolarHBondContact O-N 3.29Å; C618-V620 VanDerWaalsContact C-N 3.34Å; C618-V620 PolarHBondContact O-N 3.01Å; V620-N622 VanDerWaalsContact C-N 3.33Å
621R86.1Confident89.9Confident150 Ų15057.1 Ų57.157%0.56629%0.286SS*.Hα-helixtrans-71.7-24.8178.4-72.7175.8-178.8-170.10.9114D268 Q617 C618 Q619D268-R621 IonicContact OD1-NH1 2.78Å; D268-R621 PolarHBondContact OD1-NH1 2.64Å; D268-R621 IonicContact OD2-NH1 2.76Å; Q617-R621 WeakPolarHBondContact O-CG 3.43Å; Q617-R621 PolarHBondContact O-N 3.05Å; C618-R621 PolarHBondContact O-N 3.2Å; Q619-R621 VanDerWaalsContact C-N 3.33Å; Q619-R621 PolarHBondContact O-N 2.79Å
622N69.1Low89.3Confident79 Ų7961.7 Ų61.742%0.42231%0.309SS..Hα-helixtrans-88.6-14.6-177.4-75.9-4.7000113.6Y271 H275 C618 Q619 V620Y271-N622 WeakPolarHBondContact CE2-OD1 3.06Å; H275-N622 PolarHBondContact CE1-ND2 3.12Å; H275-N622 PolarHBondContact NE2-ND2 3.11Å; C618-N622 PolarHBondContact O-N 2.67Å; Q619-N622 PolarHBondContact O-N 2.82Å; V620-N622 VanDerWaalsContact C-N 3.33Å
623N56.2Low88.5Confident193 Ų19367.2 Ų67.2100%1.03234%0.337SS*.  trans-93.90171.8-67.3-26.5000109.9Q619Q619-N623 PolarHBondContact O-N 2.87Å; Q619-N623 PolarHBondContact O-ND2 3.03Å

Retrieved 623 of 623 residues in 1347.2 ms (Link to these results)

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