A0A096NJZ8_PAPAN Loading...

MICAL-like protein 1

AlphaFold DB , UniProt , Accession A0A096NJZ8, Species PAPAN (Papio anubis, Olive baboon), Gene MICALL1, Length 862 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 low76.5Confident165 Ų16553.7 Ų53.781%0.81333%0.331SS*.  0164.90-68.1-54.2-165.700109.8
2A59.4Low77.8Confident73 Ų7349.3 Ų49.360%0.60330%0.304SS*.  trans-81.4140.1160.700000109
3G68.8Low79Confident17 Ų1755.1 Ų55.118%0.17532%0.317CS..  trans-65170.3176.200000114.1R5 G6 A7 D718G3-R5 PolarHBondContact O-N 2.63Å; G3-G6 PolarHBondContact O-N 2.77Å; G3-A7 PolarHBondContact O-N 3.49Å; G3-D718 VanDerWaalsContact CA-CG 3.46Å; G3-D718 WeakPolarHBondContact CA-OD1 2.97Å; G3-D718 WeakPolarHBondContact CA-OD2 3.37Å
4P72.9Confident80Confident46 Ų4660.7 Ų60.730%0.29933%0.33SS..Hα-helixtrans-48.5-43.9176.6-29.737000113.6G6 A7 L8 D718 V722 F725P4-G6 PolarHBondContact O-N 2.55Å; P4-A7 PolarHBondContact O-N 3.14Å; P4-L8 WeakPolarHBondContact O-CB 3.5Å; P4-L8 PolarHBondContact O-N 3.24Å; P4-D718 VanDerWaalsContact CD-OD1 3.28Å; P4-D718 WeakPolarHBondContact CD-OD1 3.26Å; P4-V722 HydrophobicContact CG-CG2 4.06Å; P4-F725 HydrophobicContact CB-CE2 4.36Å
5R79.8Confident80.8Confident119 Ų11958.7 Ų58.745%0.44932%0.318SS..Hα-helixtrans-57.7-47.4175.3-175178.6-178.6-130.70.3112.4G3 L9 L27 C93 M97 L721G3-R5 PolarHBondContact O-N 2.63Å; R5-L9 WeakPolarHBondContact O-CB 3.2Å; R5-L9 PolarHBondContact O-N 2.87Å; R5-L27 HydrophobicContact CG-CD1 4.08Å; R5-C93 PolarHBondContact NH2-SG 3.48Å; R5-C93 VanDerWaalsContact NH2-SG 3.44Å; R5-M97 HydrophobicContact CB-SD 3.72Å; R5-M97 HydrophobicContact CG-CE 4.5Å; R5-M97 HydrophobicContact CG-SD 3.72Å; R5-L721 HydrophobicContact CB-CD1 4.25Å
6G80.9Confident81.7Confident31 Ų3155.2 Ų55.232%0.3230%0.299SS..Hα-helixtrans-70.4-35.4179.200000113.4G3 P4 A10G3-G6 PolarHBondContact O-N 2.77Å; P4-G6 PolarHBondContact O-N 2.55Å; G6-A10 VanDerWaalsContact O-CB 3.26Å; G6-A10 WeakPolarHBondContact O-CB 3.43Å; G6-A10 PolarHBondContact O-N 3.08Å
7A83.7Confident82.3Confident50 Ų5060.2 Ų60.241%0.41332%0.32SS..Hα-helixtrans-66.9-41.7175.400000111.9G3 P4 W11G3-A7 PolarHBondContact O-N 3.49Å; P4-A7 PolarHBondContact O-N 3.14Å; A7-W11 PolarHBondContact O-N 3.46Å; A7-W11 VanDerWaalsContact O-N 3.12Å
8L85.4Confident82.8Confident8 Ų861.4 Ų61.44%0.04235%0.349CS..Hα-helixtrans-65.4-50.7175.6-173.466.5000111.3P4 A10 W11 C12 L27 M97 V100 Y104P4-L8 WeakPolarHBondContact O-CB 3.5Å; P4-L8 PolarHBondContact O-N 3.24Å; L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 3.08Å; L8-W11 WeakPolarHBondContact O-CA 3.23Å; L8-W11 WeakPolarHBondContact O-CB 3.45Å; L8-W11 PolarHBondContact O-N 3.12Å; L8-C12 PolarHBondContact O-N 3.44Å; L8-C12 PolarHBondContact O-SG 2.91Å; L8-L27 HydrophobicContact CB-CD1 4.43Å; L8-L27 HydrophobicContact CD2-CD1 4.09Å; L8-L27 HydrophobicContact CG-CD1 4.43Å; L8-M97 HydrophobicContact CD2-CB 4.46Å; L8-M97 HydrophobicContact CD2-CG 3.87Å; L8-M97 WeakPolarHBondContact CD2-O 3.45Å; L8-V100 HydrophobicContact CD1-CG1 4.29Å; L8-V100 HydrophobicContact CD2-CB 4.43Å; L8-V100 HydrophobicContact CD2-CG1 4.36Å; L8-V100 HydrophobicContact CG-CG1 4.34Å; L8-Y104 HydrophobicContact CD1-CD1 3.96Å; L8-Y104 HydrophobicContact CD1-CG 3.67Å
9L87.5Confident83.4Confident32 Ų3260.2 Ų60.217%0.16834%0.339CS..Hα-helixtrans-55.2-42.4175.9177.655.9000112.1R5 W11 C12 R13 I24 D26 L27R5-L9 WeakPolarHBondContact O-CB 3.2Å; R5-L9 PolarHBondContact O-N 2.87Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 3.43Å; L9-C12 PolarHBondContact O-N 3.5Å; L9-R13 WeakPolarHBondContact O-CG 3.4Å; L9-R13 PolarHBondContact O-N 3.43Å; L9-R13 VanDerWaalsContact O-N 3.12Å; L9-I24 HydrophobicContact CD1-CG2 3.77Å; L9-D26 WeakPolarHBondContact CD1-O 3.3Å; L9-L27 HydrophobicContact CB-CD1 4.24Å; L9-L27 HydrophobicContact CB-CD2 4.3Å; L9-L27 HydrophobicContact CB-CG 4.08Å; L9-L27 HydrophobicContact CD1-CD2 4.2Å; L9-L27 HydrophobicContact CD1-CG 4.19Å
10A86.3Confident83.9Confident39 Ų3966.5 Ų66.532%0.32236%0.357SS..Hα-helixtrans-66.9-26.8176.100000113.5G6 L8 R14G6-A10 VanDerWaalsContact O-CB 3.26Å; G6-A10 WeakPolarHBondContact O-CB 3.43Å; G6-A10 PolarHBondContact O-N 3.08Å; L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 3.08Å; A10-R14 VanDerWaalsContact O-CZ 3.23Å; A10-R14 PolarHBondContact O-NH1 2.72Å
11W91.1Very high84.1Confident11 Ų1165.4 Ų65.44%0.04236%0.362CS..Hα-helixtrans-74.1-46.8171.2174.595.7000111.8A7 L8 L9 R13 R14 Q15 I40 V100 Y104 F107A7-W11 PolarHBondContact O-N 3.46Å; A7-W11 VanDerWaalsContact O-N 3.12Å; L8-W11 WeakPolarHBondContact O-CA 3.23Å; L8-W11 WeakPolarHBondContact O-CB 3.45Å; L8-W11 PolarHBondContact O-N 3.12Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 3.43Å; W11-R13 VanDerWaalsContact C-N 3.3Å; W11-R13 PolarHBondContact O-N 2.79Å; W11-R14 PolarHBondContact O-N 3.06Å; W11-Q15 HydrophobicContact CD2-CG 3.91Å; W11-Q15 HydrophobicContact CE3-CG 4.26Å; W11-Q15 HydrophobicContact CH2-CG 3.95Å; W11-Q15 HydrophobicContact CZ2-CG 3.57Å; W11-Q15 HydrophobicContact CZ3-CG 4.28Å; W11-Q15 PolarHBondContact O-N 3.49Å; W11-Q15 VanDerWaalsContact O-N 3.11Å; W11-I40 HydrophobicContact CH2-CD1 4.49Å; W11-I40 HydrophobicContact CH2-CG2 3.64Å; W11-I40 HydrophobicContact CZ3-CD1 4.06Å; W11-I40 HydrophobicContact CZ3-CG1 4.5Å; W11-I40 HydrophobicContact CZ3-CG2 4.27Å; W11-V100 HydrophobicContact CZ3-CG1 4.4Å; W11-Y104 HydrophobicContact CB-CD2 3.98Å; W11-Y104 HydrophobicContact CB-CE2 4.36Å; W11-Y104 AromaticContact CD1-CD2 3.46Å; W11-Y104 VanDerWaalsContact CD1-CD2 3.46Å; W11-Y104 AromaticContact CD1-CE2 3.81Å; W11-Y104 AromaticContact CD2-CD2 3.61Å; W11-Y104 HydrophobicContact CD2-CD2 3.61Å; W11-Y104 HydrophobicContact CD2-CG 4.25Å; W11-Y104 AromaticContact CE2-CD2 3.79Å; W11-Y104 HydrophobicContact CE3-CD2 4.26Å; W11-Y104 HydrophobicContact CE3-CG 4.48Å; W11-Y104 AromaticContact CG-CD2 3.44Å; W11-Y104 HydrophobicContact CG-CD2 3.44Å; W11-Y104 VanDerWaalsContact CG-CD2 3.44Å; W11-Y104 HydrophobicContact CG-CE2 4.05Å; W11-Y104 HydrophobicContact CG-CG 4.41Å; W11-Y104 AromaticContact NE1-CD2 3.63Å; W11-F107 HydrophobicContact CH2-CD2 4.43Å; W11-F107 HydrophobicContact CZ2-CB 4.14Å; W11-F107 HydrophobicContact CZ2-CD2 4.44Å
12C92.3Very high86.4Confident0 Ų058.4 Ų58.40%033%0.328CS..Hα-helixtrans-54.8-46.9179.2-56.30000111.6L8 L9 R14 Q15 C16 I24 F31 V100L8-C12 PolarHBondContact O-N 3.44Å; L8-C12 PolarHBondContact O-SG 2.91Å; L9-C12 PolarHBondContact O-N 3.5Å; C12-R14 VanDerWaalsContact C-N 3.27Å; C12-R14 PolarHBondContact O-N 2.61Å; C12-Q15 PolarHBondContact O-N 3.14Å; C12-Q15 VanDerWaalsContact O-N 3.14Å; C12-C16 PolarHBondContact O-N 3.15Å; C12-C16 PolarHBondContact O-SG 3.26Å; C12-C16 VanDerWaalsContact O-SG 3.41Å; C12-I24 HydrophobicContact CB-CG2 3.88Å; C12-F31 HydrophobicContact CB-CZ 4Å; C12-V100 WeakPolarHBondContact SG-CG1 3.13Å
13R93.3Very high88Confident125 Ų12560.3 Ų60.347%0.47232%0.324SS..Hα-helixtrans-54.2-38.3175.3-75.4174.9-179.7-178.83113.5L9 W11 E17 I24 R25L9-R13 WeakPolarHBondContact O-CG 3.4Å; L9-R13 PolarHBondContact O-N 3.43Å; L9-R13 VanDerWaalsContact O-N 3.12Å; W11-R13 VanDerWaalsContact C-N 3.3Å; W11-R13 PolarHBondContact O-N 2.79Å; R13-E17 PolarHBondContact O-N 2.94Å; R13-I24 HydrophobicContact CG-CB 3.91Å; R13-I24 HydrophobicContact CG-CG2 4.29Å; R13-I24 WeakPolarHBondContact CG-O 3.39Å; R13-I24 PolarHBondContact NE-O 3.21Å; R13-R25 PolarHBondContact NH2-O 3.39Å
14R92.2Very high89.2Confident134 Ų13460 Ų6051%0.50632%0.318SS..Hα-helixtrans-75.3-35.6178-68.9-173.8-58.1-91.9-0112.7A10 W11 C12 E17A10-R14 VanDerWaalsContact O-CZ 3.23Å; A10-R14 PolarHBondContact O-NH1 2.72Å; W11-R14 PolarHBondContact O-N 3.06Å; C12-R14 VanDerWaalsContact C-N 3.27Å; C12-R14 PolarHBondContact O-N 2.61Å; R14-E17 WeakPolarHBondContact O-CB 3.39Å; R14-E17 PolarHBondContact O-N 2.88Å
15Q92.6Very high90.1Very high30 Ų3065.5 Ų65.514%0.1433%0.333CS..Hα-helixtrans-71-36.4177.4-55.8-53.79.100112.1W11 C12 E17 Y19 I40 R43 H44W11-Q15 HydrophobicContact CD2-CG 3.91Å; W11-Q15 HydrophobicContact CE3-CG 4.26Å; W11-Q15 HydrophobicContact CH2-CG 3.95Å; W11-Q15 HydrophobicContact CZ2-CG 3.57Å; W11-Q15 HydrophobicContact CZ3-CG 4.28Å; W11-Q15 PolarHBondContact O-N 3.49Å; W11-Q15 VanDerWaalsContact O-N 3.11Å; C12-Q15 PolarHBondContact O-N 3.14Å; C12-Q15 VanDerWaalsContact O-N 3.14Å; Q15-E17 VanDerWaalsContact C-N 3.31Å; Q15-E17 PolarHBondContact O-N 2.87Å; Q15-Y19 WeakPolarHBondContact O-CE2 3.47Å; Q15-I40 HydrophobicContact CB-CG1 3.98Å; Q15-R43 HydrophobicContact CB-CG 4.46Å; Q15-R43 VanDerWaalsContact O-CZ 3.25Å; Q15-R43 PolarHBondContact O-NE 2.86Å; Q15-R43 PolarHBondContact O-NH2 3.31Å; Q15-H44 PolarHBondContact NE2-NE2 3.36Å
16C94.4Very high90.6Very high3 Ų361.4 Ų61.42%0.0232%0.32CS..SBendtrans-83.1-3.3178.1-570000113.8C12 G18 Y19 V22 I24C12-C16 PolarHBondContact O-N 3.15Å; C12-C16 PolarHBondContact O-SG 3.26Å; C12-C16 VanDerWaalsContact O-SG 3.41Å; C16-G18 PolarHBondContact O-N 3.36Å; C16-G18 VanDerWaalsContact O-N 3.09Å; C16-Y19 PolarHBondContact O-N 3.38Å; C16-Y19 VanDerWaalsContact O-N 3.14Å; C16-V22 HydrophobicContact CB-CB 4.34Å; C16-V22 HydrophobicContact CB-CG1 3.65Å; C16-I24 HydrophobicContact CB-CD1 4.34Å; C16-I24 HydrophobicContact CB-CG1 3.74Å
17E93.2Very high91.1Very high141 Ų14160 Ų6066%0.65931%0.306SS*.THydrogen-bonded Turntrans-62.3111.4-174.3-170.9171.7-169.700112.5R13 R14 Q15 R43R13-E17 PolarHBondContact O-N 2.94Å; R14-E17 WeakPolarHBondContact O-CB 3.39Å; R14-E17 PolarHBondContact O-N 2.88Å; Q15-E17 VanDerWaalsContact C-N 3.31Å; Q15-E17 PolarHBondContact O-N 2.87Å; E17-R43 PolarHBondContact O-NH2 3.01Å
18G91.1Very high91.4Very high82 Ų8258.3 Ų58.385%0.84529%0.291SS*.THydrogen-bonded Turntrans96.50.6179.400000115.8C16C16-G18 PolarHBondContact O-N 3.36Å; C16-G18 VanDerWaalsContact O-N 3.09Å
19Y94.6Very high91.6Very high37 Ų3760.7 Ų60.715%0.14531%0.308CS..  trans-75.7140.4172-79.9-84.9000112.1Q15 C16 G21 V22 A39 H42 R43 F51Q15-Y19 WeakPolarHBondContact O-CE2 3.47Å; C16-Y19 PolarHBondContact O-N 3.38Å; C16-Y19 VanDerWaalsContact O-N 3.14Å; Y19-G21 PolarHBondContact O-N 3.13Å; Y19-V22 PolarHBondContact O-N 2.94Å; Y19-A39 HydrophobicContact CD1-CB 4.04Å; Y19-A39 HydrophobicContact CD2-CB 3.75Å; Y19-A39 HydrophobicContact CE1-CB 4.34Å; Y19-A39 HydrophobicContact CE2-CB 4.03Å; Y19-A39 WeakPolarHBondContact CE2-O 3.47Å; Y19-A39 HydrophobicContact CG-CB 3.72Å; Y19-A39 PolarHBondContact OH-O 2.92Å; Y19-H42 HydrophobicContact CE1-CB 4.38Å; Y19-H42 AromaticContact CE1-ND1 3.42Å; Y19-H42 WeakPolarHBondContact CE1-ND1 3.19Å; Y19-H42 AromaticContact CZ-ND1 3.58Å; Y19-H42 VanDerWaalsContact OH-C 3.29Å; Y19-H42 PolarHBondContact OH-ND1 3.25Å; Y19-R43 HydrophobicContact CE2-CB 4.29Å; Y19-R43 VanDerWaalsContact OH-CA 3.25Å; Y19-R43 WeakPolarHBondContact OH-CA 3.21Å; Y19-R43 PolarHBondContact OH-N 2.89Å; Y19-F51 AromaticContact CD1-CD1 3.63Å; Y19-F51 HydrophobicContact CD1-CD1 3.63Å; Y19-F51 HydrophobicContact CD1-CD2 4.09Å; Y19-F51 AromaticContact CD1-CE1 3.64Å; Y19-F51 HydrophobicContact CD1-CE1 3.64Å; Y19-F51 HydrophobicContact CD1-CE2 4.09Å; Y19-F51 AromaticContact CD1-CG 3.89Å; Y19-F51 HydrophobicContact CD1-CG 3.89Å; Y19-F51 AromaticContact CD1-CZ 3.89Å; Y19-F51 HydrophobicContact CD1-CZ 3.89Å; Y19-F51 HydrophobicContact CE1-CB 4.49Å; Y19-F51 HydrophobicContact CE1-CD1 4.1Å; Y19-F51 HydrophobicContact CE1-CD2 4.17Å; Y19-F51 AromaticContact CE1-CG 3.95Å; Y19-F51 HydrophobicContact CE1-CG 3.95Å; Y19-F51 HydrophobicContact CG-CE1 4.41Å; Y19-F51 HydrophobicContact CG-CZ 4.42Å
20R92.4Very high91.9Very high187 Ų18760 Ų6071%0.70631%0.306SS*.THydrogen-bonded Turntrans-59.6121.7178.6-172.7-163.3-58.3-1054.5110.1V22 D52R20-V22 PolarHBondContact O-N 3.28Å; R20-D52 IonicContact CZ-OD1 3.26Å; R20-D52 IonicContact NE-OD1 2.78Å; R20-D52 IonicContact NH2-OD1 2.76Å; R20-D52 PolarHBondContact NH2-OD1 2.9Å
21G88.2Confident92.4Very high44 Ų4458.1 Ų58.145%0.45429%0.29SS..THydrogen-bonded Turntrans74.1-3.7173.700000116.4Y19 K56Y19-G21 PolarHBondContact O-N 3.13Å; G21-K56 WeakPolarHBondContact O-CE 3.4Å; G21-K56 PolarHBondContact O-NZ 2.85Å
22V94.1Very high92.5Very high17 Ų1761.6 Ų61.610%0.10330%0.303CS..  trans-94.1111.7-178.1-169.20000110.4C16 Y19 R20 I24 L35 A36 A39 F51C16-V22 HydrophobicContact CB-CB 4.34Å; C16-V22 HydrophobicContact CB-CG1 3.65Å; Y19-V22 PolarHBondContact O-N 2.94Å; R20-V22 PolarHBondContact O-N 3.28Å; V22-I24 HydrophobicContact CG1-CD1 3.75Å; V22-I24 HydrophobicContact CG1-CG1 4.35Å; V22-L35 HydrophobicContact CG2-CB 3.8Å; V22-A36 HydrophobicContact CG1-CB 4.34Å; V22-A39 HydrophobicContact CG1-CB 4.41Å; V22-A39 HydrophobicContact CG2-CB 4.19Å; V22-F51 HydrophobicContact CG2-CE2 4.38Å; V22-F51 HydrophobicContact CG2-CZ 3.66Å
23E93.3Very high92.5Very high114 Ų11462.8 Ų62.853%0.53331%0.31SS..  trans-128.2104.8177.4-162.9-163.1150.700110.8R25E23-R25 VanDerWaalsContact CD-NH2 3.34Å; E23-R25 HydrophobicContact CG-CG 4.34Å; E23-R25 PolarHBondContact O-N 3.04Å; E23-R25 VanDerWaalsContact O-N 3.09Å; E23-R25 IonicContact OE1-CZ 3.4Å; E23-R25 IonicContact OE1-NE 3.61Å; E23-R25 PolarHBondContact OE1-NE 3.04Å; E23-R25 IonicContact OE1-NH2 2.73Å; E23-R25 PolarHBondContact OE1-NH2 3.41Å; E23-R25 IonicContact OE2-CZ 3.4Å; E23-R25 IonicContact OE2-NE 2.73Å; E23-R25 PolarHBondContact OE2-NE 2.87Å; E23-R25 IonicContact OE2-NH2 3.8Å; E23-R25 PolarHBondContact OE2-NH2 2.87Å
24I94.7Very high92.5Very high9 Ų956.8 Ų56.85%0.04629%0.287CS..  trans-84.786.9-175.1-48.7-57.7000111.2L9 C12 R13 C16 V22 D26 F31 A36L9-I24 HydrophobicContact CD1-CG2 3.77Å; C12-I24 HydrophobicContact CB-CG2 3.88Å; R13-I24 HydrophobicContact CG-CB 3.91Å; R13-I24 HydrophobicContact CG-CG2 4.29Å; R13-I24 WeakPolarHBondContact CG-O 3.39Å; R13-I24 PolarHBondContact NE-O 3.21Å; C16-I24 HydrophobicContact CB-CD1 4.34Å; C16-I24 HydrophobicContact CB-CG1 3.74Å; V22-I24 HydrophobicContact CG1-CD1 3.75Å; V22-I24 HydrophobicContact CG1-CG1 4.35Å; I24-D26 WeakPolarHBondContact CG2-O 3.47Å; I24-F31 HydrophobicContact CD1-CE2 4.27Å; I24-F31 HydrophobicContact CD1-CZ 4.32Å; I24-F31 HydrophobicContact CG2-CE2 3.75Å; I24-F31 HydrophobicContact CG2-CZ 4.2Å; I24-A36 HydrophobicContact CD1-CB 3.5Å; I24-A36 VanDerWaalsContact CD1-CB 3.5Å
25R91.7Very high92.7Very high163 Ų16350.7 Ų50.762%0.61526%0.264SS*.  trans-80.3-42.7177.2-66.2-173.4177.4169.19.5112.1R13 E23 S30R13-R25 PolarHBondContact NH2-O 3.39Å; E23-R25 VanDerWaalsContact CD-NH2 3.34Å; E23-R25 HydrophobicContact CG-CG 4.34Å; E23-R25 PolarHBondContact O-N 3.04Å; E23-R25 VanDerWaalsContact O-N 3.09Å; E23-R25 IonicContact OE1-CZ 3.4Å; E23-R25 IonicContact OE1-NE 3.61Å; E23-R25 PolarHBondContact OE1-NE 3.04Å; E23-R25 IonicContact OE1-NH2 2.73Å; E23-R25 PolarHBondContact OE1-NH2 3.41Å; E23-R25 IonicContact OE2-CZ 3.4Å; E23-R25 IonicContact OE2-NE 2.73Å; E23-R25 PolarHBondContact OE2-NE 2.87Å; E23-R25 IonicContact OE2-NH2 3.8Å; E23-R25 PolarHBondContact OE2-NH2 2.87Å; R25-S30 PolarHBondContact N-OG 3.33Å
26D90.6Very high92.9Very high33 Ų3349.2 Ų49.218%0.17626%0.258CS..SBendtrans-129.9-174-175.7695.1000112L9 I24 S28 S29 S30L9-D26 WeakPolarHBondContact CD1-O 3.3Å; I24-D26 WeakPolarHBondContact CG2-O 3.47Å; D26-S28 VanDerWaalsContact CG-N 3.34Å; D26-S28 PolarHBondContact OD1-N 3.45Å; D26-S28 WeakPolarHBondContact OD2-CB 3.37Å; D26-S28 PolarHBondContact OD2-OG 3.27Å; D26-S29 PolarHBondContact OD1-N 3.49Å; D26-S29 VanDerWaalsContact OD1-N 3.09Å; D26-S29 PolarHBondContact OD1-OG 2.87Å; D26-S29 WeakPolarHBondContact OD2-CB 3.25Å; D26-S29 PolarHBondContact OD2-N 3.41Å; D26-S29 PolarHBondContact OD2-OG 3.31Å; D26-S30 PolarHBondContact N-OG 3.03Å; D26-S30 VanDerWaalsContact OD1-CB 3.22Å; D26-S30 WeakPolarHBondContact OD1-CB 3.4Å; D26-S30 PolarHBondContact OD1-N 3.04Å; D26-S30 PolarHBondContact OD1-OG 2.85Å
27L89.9Confident93Very high2 Ų249.1 Ų49.11%0.0126%0.257CS..SBendtrans-109.247.7166-67.2175.5000109.1R5 L8 L9 F31 C93 I96 M97R5-L27 HydrophobicContact CG-CD1 4.08Å; L8-L27 HydrophobicContact CB-CD1 4.43Å; L8-L27 HydrophobicContact CD2-CD1 4.09Å; L8-L27 HydrophobicContact CG-CD1 4.43Å; L9-L27 HydrophobicContact CB-CD1 4.24Å; L9-L27 HydrophobicContact CB-CD2 4.3Å; L9-L27 HydrophobicContact CB-CG 4.08Å; L9-L27 HydrophobicContact CD1-CD2 4.2Å; L9-L27 HydrophobicContact CD1-CG 4.19Å; L27-F31 HydrophobicContact CD2-CE2 3.87Å; L27-F31 HydrophobicContact CD2-CZ 4.26Å; L27-C93 VanDerWaalsContact O-CA 3.29Å; L27-C93 WeakPolarHBondContact O-CA 3.37Å; L27-C93 PolarHBondContact O-SG 2.52Å; L27-C93 VanDerWaalsContact O-SG 3.41Å; L27-I96 HydrophobicContact CB-CG2 4.35Å; L27-I96 WeakPolarHBondContact O-CB 3.16Å; L27-I96 WeakPolarHBondContact O-CG2 3.46Å; L27-M97 HydrophobicContact CD1-CB 4.16Å; L27-M97 HydrophobicContact CD1-CG 4.24Å; L27-M97 HydrophobicContact CD1-SD 4.3Å
28S90.4Very high93.1Very high14 Ų1442.4 Ų42.410%0.09823%0.225CC..SBendtrans-152.7-93.1-176.4300000111.2D26 S30 F31 P91D26-S28 VanDerWaalsContact CG-N 3.34Å; D26-S28 PolarHBondContact OD1-N 3.45Å; D26-S28 WeakPolarHBondContact OD2-CB 3.37Å; D26-S28 PolarHBondContact OD2-OG 3.27Å; S28-S30 PolarHBondContact O-N 3.44Å; S28-F31 PolarHBondContact O-N 2.97Å; S28-F31 VanDerWaalsContact O-N 3.16Å; S28-P91 WeakPolarHBondContact CB-O 3.28Å
29S90.4Very high93.4Very high58 Ų5838.5 Ų38.541%0.40619%0.185SC..G310 helixtrans-59-32.7-178.862.60000113.6D26 F31 R32D26-S29 PolarHBondContact OD1-N 3.49Å; D26-S29 VanDerWaalsContact OD1-N 3.09Å; D26-S29 PolarHBondContact OD1-OG 2.87Å; D26-S29 WeakPolarHBondContact OD2-CB 3.25Å; D26-S29 PolarHBondContact OD2-N 3.41Å; D26-S29 PolarHBondContact OD2-OG 3.31Å; S29-F31 PolarHBondContact O-N 2.87Å; S29-F31 VanDerWaalsContact O-N 3.16Å; S29-R32 VanDerWaalsContact O-CB 3.31Å; S29-R32 WeakPolarHBondContact O-CB 3.25Å; S29-R32 PolarHBondContact O-N 3.43Å; S29-R32 VanDerWaalsContact O-N 3.12Å
30S94.4Very high93.4Very high17 Ų1736.7 Ų36.712%0.11918%0.178CC..G310 helixtrans-69-10.9-179.2-42.20000114.2R25 D26 S28 A36R25-S30 PolarHBondContact N-OG 3.33Å; D26-S30 PolarHBondContact N-OG 3.03Å; D26-S30 VanDerWaalsContact OD1-CB 3.22Å; D26-S30 WeakPolarHBondContact OD1-CB 3.4Å; D26-S30 PolarHBondContact OD1-N 3.04Å; D26-S30 PolarHBondContact OD1-OG 2.85Å; S28-S30 PolarHBondContact O-N 3.44Å; S30-A36 WeakPolarHBondContact O-CB 3.37Å
31F94.9Very high93.4Very high0 Ų027.9 Ų27.90%015%0.145CC..G310 helixtrans-106.5-5.7176.6-74.5-98.5000112.7C12 I24 L27 S28 S29 D33 G34 A36 F37 I40 M85 I96 V100C12-F31 HydrophobicContact CB-CZ 4Å; I24-F31 HydrophobicContact CD1-CE2 4.27Å; I24-F31 HydrophobicContact CD1-CZ 4.32Å; I24-F31 HydrophobicContact CG2-CE2 3.75Å; I24-F31 HydrophobicContact CG2-CZ 4.2Å; L27-F31 HydrophobicContact CD2-CE2 3.87Å; L27-F31 HydrophobicContact CD2-CZ 4.26Å; S28-F31 PolarHBondContact O-N 2.97Å; S28-F31 VanDerWaalsContact O-N 3.16Å; S29-F31 PolarHBondContact O-N 2.87Å; S29-F31 VanDerWaalsContact O-N 3.16Å; F31-D33 PolarHBondContact O-N 3.41Å; F31-G34 PolarHBondContact O-N 3.33Å; F31-A36 HydrophobicContact CB-CB 4.38Å; F31-A36 HydrophobicContact CD1-CB 3.43Å; F31-A36 VanDerWaalsContact CD1-CB 3.43Å; F31-A36 HydrophobicContact CD2-CB 4.47Å; F31-A36 HydrophobicContact CE1-CB 3.69Å; F31-A36 HydrophobicContact CG-CB 3.87Å; F31-A36 HydrophobicContact CZ-CB 4.32Å; F31-F37 HydrophobicContact CB-CE2 3.88Å; F31-F37 HydrophobicContact CB-CZ 4.15Å; F31-F37 HydrophobicContact CD1-CD1 4.21Å; F31-F37 HydrophobicContact CD1-CD2 4.16Å; F31-F37 AromaticContact CD1-CE1 3.87Å; F31-F37 HydrophobicContact CD1-CE1 3.87Å; F31-F37 AromaticContact CD1-CE2 3.81Å; F31-F37 HydrophobicContact CD1-CE2 3.81Å; F31-F37 HydrophobicContact CD1-CG 4.35Å; F31-F37 AromaticContact CD1-CZ 3.65Å; F31-F37 HydrophobicContact CD1-CZ 3.65Å; F31-F37 HydrophobicContact CE1-CE1 4.35Å; F31-F37 HydrophobicContact CG-CE2 4.34Å; F31-F37 HydrophobicContact CG-CZ 4.29Å; F31-I40 HydrophobicContact CE1-CD1 4.09Å; F31-M85 WeakPolarHBondContact O-CE 3.47Å; F31-I96 HydrophobicContact CB-CD1 3.98Å; F31-I96 HydrophobicContact CB-CG1 4.49Å; F31-I96 HydrophobicContact CB-CG2 3.97Å; F31-I96 HydrophobicContact CD1-CG2 4.22Å; F31-I96 HydrophobicContact CD2-CG2 3.7Å; F31-I96 HydrophobicContact CE2-CG2 4.25Å; F31-I96 HydrophobicContact CG-CG2 3.69Å; F31-V100 HydrophobicContact CD1-CG2 3.85Å; F31-V100 HydrophobicContact CE1-CG1 4.2Å; F31-V100 HydrophobicContact CE1-CG2 3.47Å; F31-V100 VanDerWaalsContact CE1-CG2 3.47Å; F31-V100 HydrophobicContact CZ-CG1 4.15Å; F31-V100 HydrophobicContact CZ-CG2 3.96Å
32R93.7Very high93.7Very high83 Ų8328.3 Ų28.331%0.31314%0.135SC..THydrogen-bonded Turntrans-57.9-47.5-173.3-171.6-177.2175.6-129.6-3.8112.5S29 G34 V59 N63 M85 V86 M88 S89 P91S29-R32 VanDerWaalsContact O-CB 3.31Å; S29-R32 WeakPolarHBondContact O-CB 3.25Å; S29-R32 PolarHBondContact O-N 3.43Å; S29-R32 VanDerWaalsContact O-N 3.12Å; R32-G34 PolarHBondContact O-N 3.28Å; R32-G34 VanDerWaalsContact O-N 3.1Å; R32-V59 WeakPolarHBondContact O-CG1 3.27Å; R32-N63 PolarHBondContact O-ND2 3.09Å; R32-M85 WeakPolarHBondContact CG-O 3.3Å; R32-M85 PolarHBondContact NE-O 3.09Å; R32-V86 PolarHBondContact NH2-O 2.91Å; R32-M88 WeakPolarHBondContact CD-O 3.42Å; R32-M88 PolarHBondContact NE-O 3.08Å; R32-S89 WeakPolarHBondContact CD-O 3.24Å; R32-P91 HydrophobicContact CB-CG 3.64Å; R32-P91 HydrophobicContact CG-CG 3.89Å
33D93.2Very high93.7Very high25 Ų2532.3 Ų32.313%0.13415%0.148CC..THydrogen-bonded Turntrans-73.54-174.566.39.7000114.7F31 L35 K56 N62F31-D33 PolarHBondContact O-N 3.41Å; D33-L35 PolarHBondContact O-N 3.46Å; D33-L35 PolarHBondContact OD1-N 2.97Å; D33-K56 HydrophobicContact CB-CB 4.48Å; D33-K56 IonicContact OD2-NZ 2.73Å; D33-K56 PolarHBondContact OD2-NZ 3.33Å; D33-N62 WeakPolarHBondContact O-CB 3.45Å; D33-N62 PolarHBondContact O-ND2 3.41Å
34G93.4Very high93.5Very high0 Ų029.9 Ų29.90%014%0.137CC..SBendtrans74.2-26.6-179.800000114.5F31 R32 A36 F37 C38 N63F31-G34 PolarHBondContact O-N 3.33Å; R32-G34 PolarHBondContact O-N 3.28Å; R32-G34 VanDerWaalsContact O-N 3.1Å; G34-A36 PolarHBondContact O-N 3.14Å; G34-A36 VanDerWaalsContact O-N 3.09Å; G34-F37 PolarHBondContact O-N 3.48Å; G34-C38 PolarHBondContact O-N 3.2Å; G34-C38 VanDerWaalsContact O-N 3.16Å; G34-C38 PolarHBondContact O-SG 2.96Å; G34-N63 PolarHBondContact N-ND2 3.45Å
35L96.3Very high93.3Very high5 Ų533 Ų333%0.02615%0.148CC..Hα-helixtrans-59.2-29.4-175.1-59.2-174.6000113V22 D33 C38 A39 F51 L54 K56 N62V22-L35 HydrophobicContact CG2-CB 3.8Å; D33-L35 PolarHBondContact O-N 3.46Å; D33-L35 PolarHBondContact OD1-N 2.97Å; L35-C38 PolarHBondContact O-N 3.36Å; L35-A39 WeakPolarHBondContact O-CB 3.45Å; L35-A39 PolarHBondContact O-N 3.15Å; L35-F51 HydrophobicContact CB-CE2 4.49Å; L35-F51 HydrophobicContact CB-CZ 4.36Å; L35-L54 HydrophobicContact CD2-CB 3.54Å; L35-L54 HydrophobicContact CD2-CD1 4.15Å; L35-L54 HydrophobicContact CD2-CG 4.5Å; L35-K56 HydrophobicContact CD1-CB 4.46Å; L35-K56 HydrophobicContact CD1-CG 3.55Å; L35-N62 WeakPolarHBondContact CD2-ND2 3.41Å
36A96.8Very high93.3Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-61.2-41173.300000113V22 I24 S30 F31 G34 I40V22-A36 HydrophobicContact CG1-CB 4.34Å; I24-A36 HydrophobicContact CD1-CB 3.5Å; I24-A36 VanDerWaalsContact CD1-CB 3.5Å; S30-A36 WeakPolarHBondContact O-CB 3.37Å; F31-A36 HydrophobicContact CB-CB 4.38Å; F31-A36 HydrophobicContact CD1-CB 3.43Å; F31-A36 VanDerWaalsContact CD1-CB 3.43Å; F31-A36 HydrophobicContact CD2-CB 4.47Å; F31-A36 HydrophobicContact CE1-CB 3.69Å; F31-A36 HydrophobicContact CG-CB 3.87Å; F31-A36 HydrophobicContact CZ-CB 4.32Å; G34-A36 PolarHBondContact O-N 3.14Å; G34-A36 VanDerWaalsContact O-N 3.09Å; A36-I40 WeakPolarHBondContact O-CD1 3.24Å; A36-I40 VanDerWaalsContact O-CG1 3.25Å; A36-I40 WeakPolarHBondContact O-CG1 3.25Å; A36-I40 PolarHBondContact O-N 2.92Å
37F96Very high93.3Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-71.4-46.5175.8-61.7-77.9000110.6F31 G34 A39 I40 L41 A66 F67 L80 M85 I96 Y99 V100 Y103F31-F37 HydrophobicContact CB-CE2 3.88Å; F31-F37 HydrophobicContact CB-CZ 4.15Å; F31-F37 HydrophobicContact CD1-CD1 4.21Å; F31-F37 HydrophobicContact CD1-CD2 4.16Å; F31-F37 AromaticContact CD1-CE1 3.87Å; F31-F37 HydrophobicContact CD1-CE1 3.87Å; F31-F37 AromaticContact CD1-CE2 3.81Å; F31-F37 HydrophobicContact CD1-CE2 3.81Å; F31-F37 HydrophobicContact CD1-CG 4.35Å; F31-F37 AromaticContact CD1-CZ 3.65Å; F31-F37 HydrophobicContact CD1-CZ 3.65Å; F31-F37 HydrophobicContact CE1-CE1 4.35Å; F31-F37 HydrophobicContact CG-CE2 4.34Å; F31-F37 HydrophobicContact CG-CZ 4.29Å; G34-F37 PolarHBondContact O-N 3.48Å; F37-A39 VanDerWaalsContact C-N 3.31Å; F37-A39 PolarHBondContact O-N 2.76Å; F37-I40 PolarHBondContact O-N 3.35Å; F37-I40 VanDerWaalsContact O-N 3.17Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.32Å; F37-A66 HydrophobicContact CB-CB 3.6Å; F37-F67 AromaticContact CD2-CE1 3.98Å; F37-F67 HydrophobicContact CD2-CE1 3.98Å; F37-F67 HydrophobicContact CE2-CE1 4Å; F37-F67 HydrophobicContact CE2-CZ 4.39Å; F37-F67 HydrophobicContact CG-CE1 4.28Å; F37-F67 HydrophobicContact CZ-CE1 4.32Å; F37-L80 HydrophobicContact CE2-CD1 4.47Å; F37-L80 HydrophobicContact CZ-CD1 3.84Å; F37-M85 HydrophobicContact CE2-CE 3.98Å; F37-I96 HydrophobicContact CE2-CD1 4.48Å; F37-I96 HydrophobicContact CZ-CD1 4.04Å; F37-Y99 HydrophobicContact CD1-CD1 4.3Å; F37-Y99 HydrophobicContact CD1-CE1 4.22Å; F37-Y99 AromaticContact CE1-CD1 3.53Å; F37-Y99 HydrophobicContact CE1-CD1 3.53Å; F37-Y99 AromaticContact CE1-CE1 3.88Å; F37-Y99 HydrophobicContact CE1-CE1 3.88Å; F37-Y99 AromaticContact CZ-CD1 3.97Å; F37-Y99 HydrophobicContact CZ-CD1 3.97Å; F37-Y99 HydrophobicContact CZ-CE1 4.41Å; F37-V100 HydrophobicContact CD1-CG2 4.38Å; F37-V100 HydrophobicContact CE1-CG2 3.52Å; F37-V100 HydrophobicContact CZ-CG2 4.11Å; F37-Y103 HydrophobicContact CD1-CE1 4.46Å; F37-Y103 HydrophobicContact CD1-CE2 4.12Å; F37-Y103 AromaticContact CD1-CZ 3.96Å; F37-Y103 HydrophobicContact CE1-CE2 4.43Å
38C95.8Very high93.3Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-56.8-41.3176.3-56.20000112.5G34 L35 L41 H42 L49 F51 L54G34-C38 PolarHBondContact O-N 3.2Å; G34-C38 VanDerWaalsContact O-N 3.16Å; G34-C38 PolarHBondContact O-SG 2.96Å; L35-C38 PolarHBondContact O-N 3.36Å; C38-L41 PolarHBondContact O-N 3.36Å; C38-H42 VanDerWaalsContact O-CB 3.31Å; C38-H42 WeakPolarHBondContact O-CB 3.48Å; C38-H42 PolarHBondContact O-N 3.49Å; C38-L49 HydrophobicContact CB-CD1 3.96Å; C38-F51 HydrophobicContact CB-CD2 3.93Å; C38-F51 HydrophobicContact CB-CE2 3.91Å; C38-L54 HydrophobicContact CB-CD1 3.57Å
39A96.5Very high93.4Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-68-36.4178.300000112.9Y19 V22 L35 F37 R43 F51Y19-A39 HydrophobicContact CD1-CB 4.04Å; Y19-A39 HydrophobicContact CD2-CB 3.75Å; Y19-A39 HydrophobicContact CE1-CB 4.34Å; Y19-A39 HydrophobicContact CE2-CB 4.03Å; Y19-A39 WeakPolarHBondContact CE2-O 3.47Å; Y19-A39 HydrophobicContact CG-CB 3.72Å; Y19-A39 PolarHBondContact OH-O 2.92Å; V22-A39 HydrophobicContact CG1-CB 4.41Å; V22-A39 HydrophobicContact CG2-CB 4.19Å; L35-A39 WeakPolarHBondContact O-CB 3.45Å; L35-A39 PolarHBondContact O-N 3.15Å; F37-A39 VanDerWaalsContact C-N 3.31Å; F37-A39 PolarHBondContact O-N 2.76Å; A39-R43 WeakPolarHBondContact O-CB 3.19Å; A39-R43 PolarHBondContact O-N 2.91Å; A39-F51 HydrophobicContact CB-CD2 4.41Å; A39-F51 HydrophobicContact CB-CE2 3.74Å; A39-F51 HydrophobicContact CB-CZ 4.27Å
40I94.8Very high93.5Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-66.3-45.1173.2-69.5164.8000110.2W11 Q15 F31 A36 F37 R43 H44 Y103 F107W11-I40 HydrophobicContact CH2-CD1 4.49Å; W11-I40 HydrophobicContact CH2-CG2 3.64Å; W11-I40 HydrophobicContact CZ3-CD1 4.06Å; W11-I40 HydrophobicContact CZ3-CG1 4.5Å; W11-I40 HydrophobicContact CZ3-CG2 4.27Å; Q15-I40 HydrophobicContact CB-CG1 3.98Å; F31-I40 HydrophobicContact CE1-CD1 4.09Å; A36-I40 WeakPolarHBondContact O-CD1 3.24Å; A36-I40 VanDerWaalsContact O-CG1 3.25Å; A36-I40 WeakPolarHBondContact O-CG1 3.25Å; A36-I40 PolarHBondContact O-N 2.92Å; F37-I40 PolarHBondContact O-N 3.35Å; F37-I40 VanDerWaalsContact O-N 3.17Å; I40-R43 PolarHBondContact O-N 2.87Å; I40-H44 PolarHBondContact O-CD2 2.96Å; I40-Y103 HydrophobicContact CG2-CD1 3.85Å; I40-Y103 HydrophobicContact CG2-CG 4.48Å; I40-F107 HydrophobicContact CG2-CD2 4.14Å; I40-F107 HydrophobicContact CG2-CE2 4.02Å
41L93.3Very high93.5Very high2 Ų236.5 Ų36.51%0.0118%0.175CC..Hα-helixtrans-60.7-57.9176.9-71.1168.9000111.2F37 C38 R43 H44 R45 L49 A66 V69 A70 L74 Y103 F107F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.32Å; C38-L41 PolarHBondContact O-N 3.36Å; L41-R43 PolarHBondContact O-N 2.88Å; L41-R43 VanDerWaalsContact O-N 3.16Å; L41-H44 PolarHBondContact O-N 3.36Å; L41-R45 PolarHBondContact O-N 3.1Å; L41-L49 HydrophobicContact CB-CD2 3.57Å; L41-L49 HydrophobicContact CD1-CD2 4.18Å; L41-A66 HydrophobicContact CD1-CB 4.16Å; L41-A66 WeakPolarHBondContact CD1-O 3.24Å; L41-V69 HydrophobicContact CD1-CG1 4.38Å; L41-A70 HydrophobicContact CD2-CB 4.21Å; L41-L74 HydrophobicContact CD2-CD1 3.34Å; L41-Y103 HydrophobicContact CD1-CE1 4.41Å; L41-Y103 HydrophobicContact CD2-CD1 4.38Å; L41-Y103 HydrophobicContact CD2-CE1 3.79Å; L41-Y103 HydrophobicContact CG-CE1 3.94Å; L41-F107 HydrophobicContact CD2-CZ 4.48Å
42H94.8Very high93.4Very high52 Ų5242 Ų4224%0.24121%0.205CC..Hα-helixtrans-59.9-28.3-179.4-178.4-90.1000113.1Y19 C38 H44 P46 L49 F51Y19-H42 HydrophobicContact CE1-CB 4.38Å; Y19-H42 AromaticContact CE1-ND1 3.42Å; Y19-H42 WeakPolarHBondContact CE1-ND1 3.19Å; Y19-H42 AromaticContact CZ-ND1 3.58Å; Y19-H42 VanDerWaalsContact OH-C 3.29Å; Y19-H42 PolarHBondContact OH-ND1 3.25Å; C38-H42 VanDerWaalsContact O-CB 3.31Å; C38-H42 WeakPolarHBondContact O-CB 3.48Å; C38-H42 PolarHBondContact O-N 3.49Å; H42-H44 PolarHBondContact O-N 3.23Å; H42-P46 VanDerWaalsContact CD2-CA 3.48Å; H42-P46 WeakPolarHBondContact CD2-CA 3.3Å; H42-P46 WeakPolarHBondContact O-CA 3.34Å; H42-P46 WeakPolarHBondContact O-CB 3.45Å; H42-P46 WeakPolarHBondContact O-CD 3.46Å; H42-L49 HydrophobicContact CB-CD1 4.09Å; H42-L49 HydrophobicContact CB-CD2 4.45Å; H42-L49 HydrophobicContact CB-CG 4.22Å; H42-L49 PolarHBondContact CD2-O 2.7Å; H42-F51 HydrophobicContact CB-CB 4.34Å
43R93.6Very high93.4Very high102 Ų10241.8 Ų41.839%0.38522%0.216SC..Hα-helixtrans-62.1-33174.5175.767.674.2176.96.3112.4Q15 E17 Y19 A39 I40 L41Q15-R43 HydrophobicContact CB-CG 4.46Å; Q15-R43 VanDerWaalsContact O-CZ 3.25Å; Q15-R43 PolarHBondContact O-NE 2.86Å; Q15-R43 PolarHBondContact O-NH2 3.31Å; E17-R43 PolarHBondContact O-NH2 3.01Å; Y19-R43 HydrophobicContact CE2-CB 4.29Å; Y19-R43 VanDerWaalsContact OH-CA 3.25Å; Y19-R43 WeakPolarHBondContact OH-CA 3.21Å; Y19-R43 PolarHBondContact OH-N 2.89Å; A39-R43 WeakPolarHBondContact O-CB 3.19Å; A39-R43 PolarHBondContact O-N 2.91Å; I40-R43 PolarHBondContact O-N 2.87Å; L41-R43 PolarHBondContact O-N 2.88Å; L41-R43 VanDerWaalsContact O-N 3.16Å
44H89.5Confident93.5Very high62 Ų6242.1 Ų42.129%0.28722%0.218SC..Hα-helixtrans-105.5-29.5-174.9-71.7-70.1000113.3Q15 I40 L41 H42 F107Q15-H44 PolarHBondContact NE2-NE2 3.36Å; I40-H44 PolarHBondContact O-CD2 2.96Å; L41-H44 PolarHBondContact O-N 3.36Å; H42-H44 PolarHBondContact O-N 3.23Å; H44-F107 HydrophobicContact CB-CD1 3.49Å; H44-F107 VanDerWaalsContact CB-CD1 3.49Å; H44-F107 HydrophobicContact CB-CE1 3.25Å; H44-F107 HydrophobicContact CB-CE2 4.33Å; H44-F107 HydrophobicContact CB-CG 4.13Å; H44-F107 HydrophobicContact CB-CZ 3.69Å; H44-F107 AromaticContact CD2-CD1 3.68Å; H44-F107 AromaticContact CD2-CD2 3.48Å; H44-F107 VanDerWaalsContact CD2-CD2 3.48Å; H44-F107 WeakPolarHBondContact CD2-CD2 3.43Å; H44-F107 AromaticContact CD2-CE2 3.89Å; H44-F107 AromaticContact CD2-CG 3.35Å; H44-F107 WeakPolarHBondContact CD2-CG 3.44Å; H44-F107 AromaticContact CG-CD1 3.37Å; H44-F107 AromaticContact CG-CE1 3.67Å; H44-F107 AromaticContact CG-CG 3.57Å; H44-F107 AromaticContact ND1-CD1 3.81Å; H44-F107 AromaticContact ND1-CG 3.99Å; H44-F107 WeakPolarHBondContact NE2-CB 3.15Å; H44-F107 AromaticContact NE2-CG 3.71Å
45R89.5Confident93.5Very high74 Ų7444.4 Ų44.428%0.27923%0.233SC..  trans-14282.3175.7-68.8-62.2-175.782.28.1110.2L41 D47 L48 L74L41-R45 PolarHBondContact O-N 3.1Å; R45-D47 WeakPolarHBondContact CA-OD1 3.37Å; R45-D47 WeakPolarHBondContact CB-OD1 3.38Å; R45-D47 PolarHBondContact O-N 3.49Å; R45-L48 HydrophobicContact CB-CB 4.45Å; R45-L48 HydrophobicContact CB-CD1 3.61Å; R45-L48 HydrophobicContact CB-CG 3.82Å; R45-L48 HydrophobicContact CG-CD1 4.01Å; R45-L48 PolarHBondContact O-N 2.95Å; R45-L74 HydrophobicContact CG-CD2 4.36Å
46P90.9Very high93.4Very high76 Ų7648.4 Ų48.449%0.49425%0.251SS..THydrogen-bonded Turntrans-69.6-12.3177.730.9-35.9000112.9H42 L48H42-P46 VanDerWaalsContact CD2-CA 3.48Å; H42-P46 WeakPolarHBondContact CD2-CA 3.3Å; H42-P46 WeakPolarHBondContact O-CA 3.34Å; H42-P46 WeakPolarHBondContact O-CB 3.45Å; H42-P46 WeakPolarHBondContact O-CD 3.46Å; P46-L48 VanDerWaalsContact C-N 3.29Å
47D91.3Very high93.1Very high111 Ų11154.7 Ų54.759%0.59428%0.284SS*.THydrogen-bonded Turntrans-68.7-19.2173.546.5-57.9000114.3R45R45-D47 WeakPolarHBondContact CA-OD1 3.37Å; R45-D47 WeakPolarHBondContact CB-OD1 3.38Å; R45-D47 PolarHBondContact O-N 3.49Å
48L90Very high93Very high41 Ų4158.8 Ų58.822%0.21531%0.306CS..SBendtrans-96.4-13.7-171.6-62.8-180000115.5R45 P46 V69 E73 L74R45-L48 HydrophobicContact CB-CB 4.45Å; R45-L48 HydrophobicContact CB-CD1 3.61Å; R45-L48 HydrophobicContact CB-CG 3.82Å; R45-L48 HydrophobicContact CG-CD1 4.01Å; R45-L48 PolarHBondContact O-N 2.95Å; P46-L48 VanDerWaalsContact C-N 3.29Å; L48-V69 HydrophobicContact CB-CG1 3.87Å; L48-V69 HydrophobicContact CD1-CG1 4.07Å; L48-E73 HydrophobicContact CD1-CB 3.67Å; L48-E73 HydrophobicContact CD1-CG 4.17Å; L48-E73 HydrophobicContact CD2-CB 4.16Å; L48-E73 HydrophobicContact CD2-CG 3.94Å; L48-L74 HydrophobicContact CD1-CD2 4.32Å
49L92.8Very high92.8Very high16 Ų1659.8 Ų59.88%0.08431%0.312CS..  trans-159.5142.4178.365.3112.8000112.7C38 L41 H42 F51 L54C38-L49 HydrophobicContact CB-CD1 3.96Å; L41-L49 HydrophobicContact CB-CD2 3.57Å; L41-L49 HydrophobicContact CD1-CD2 4.18Å; H42-L49 HydrophobicContact CB-CD1 4.09Å; H42-L49 HydrophobicContact CB-CD2 4.45Å; H42-L49 HydrophobicContact CB-CG 4.22Å; H42-L49 PolarHBondContact CD2-O 2.7Å; L49-F51 HydrophobicContact CD1-CB 4.1Å; L49-F51 HydrophobicContact CD1-CD2 4.27Å; L49-F51 PolarHBondContact O-N 2.9Å; L49-L54 HydrophobicContact CD1-CD1 4.1Å
50D92.8Very high92.6Very high107 Ų10763.8 Ų63.857%0.57233%0.329SS*.  trans-81.2102.1168.9179.2-4.2000109.9D52 S53D50-D52 PolarHBondContact OD1-N 2.74Å; D50-S53 PolarHBondContact O-OG 2.88Å; D50-S53 PolarHBondContact OD1-N 3.14Å
51F94.3Very high92.6Very high11 Ų1167.9 Ų67.95%0.04835%0.349CS..SBendtrans-70.7-34.5-180-172-82.6000113.5Y19 V22 L35 C38 A39 H42 L49 S53 L54Y19-F51 AromaticContact CD1-CD1 3.63Å; Y19-F51 HydrophobicContact CD1-CD1 3.63Å; Y19-F51 HydrophobicContact CD1-CD2 4.09Å; Y19-F51 AromaticContact CD1-CE1 3.64Å; Y19-F51 HydrophobicContact CD1-CE1 3.64Å; Y19-F51 HydrophobicContact CD1-CE2 4.09Å; Y19-F51 AromaticContact CD1-CG 3.89Å; Y19-F51 HydrophobicContact CD1-CG 3.89Å; Y19-F51 AromaticContact CD1-CZ 3.89Å; Y19-F51 HydrophobicContact CD1-CZ 3.89Å; Y19-F51 HydrophobicContact CE1-CB 4.49Å; Y19-F51 HydrophobicContact CE1-CD1 4.1Å; Y19-F51 HydrophobicContact CE1-CD2 4.17Å; Y19-F51 AromaticContact CE1-CG 3.95Å; Y19-F51 HydrophobicContact CE1-CG 3.95Å; Y19-F51 HydrophobicContact CG-CE1 4.41Å; Y19-F51 HydrophobicContact CG-CZ 4.42Å; V22-F51 HydrophobicContact CG2-CE2 4.38Å; V22-F51 HydrophobicContact CG2-CZ 3.66Å; L35-F51 HydrophobicContact CB-CE2 4.49Å; L35-F51 HydrophobicContact CB-CZ 4.36Å; C38-F51 HydrophobicContact CB-CD2 3.93Å; C38-F51 HydrophobicContact CB-CE2 3.91Å; A39-F51 HydrophobicContact CB-CD2 4.41Å; A39-F51 HydrophobicContact CB-CE2 3.74Å; A39-F51 HydrophobicContact CB-CZ 4.27Å; H42-F51 HydrophobicContact CB-CB 4.34Å; L49-F51 HydrophobicContact CD1-CB 4.1Å; L49-F51 HydrophobicContact CD1-CD2 4.27Å; L49-F51 PolarHBondContact O-N 2.9Å; F51-S53 PolarHBondContact O-N 3.42Å; F51-L54 HydrophobicContact CD2-CD1 4.06Å; F51-L54 HydrophobicContact CE2-CD1 4.38Å; F51-L54 PolarHBondContact O-N 3.11Å; F51-L54 VanDerWaalsContact O-N 3.16Å
52D93.2Very high92.7Very high115 Ų11567.9 Ų67.962%0.61535%0.349SS*.THydrogen-bonded Turntrans-72.3-14.4-176.6-92.1-63000112.2R20 D50R20-D52 IonicContact CZ-OD1 3.26Å; R20-D52 IonicContact NE-OD1 2.78Å; R20-D52 IonicContact NH2-OD1 2.76Å; R20-D52 PolarHBondContact NH2-OD1 2.9Å; D50-D52 PolarHBondContact OD1-N 2.74Å
53S93.6Very high92.6Very high78 Ų7865.4 Ų65.455%0.54534%0.337SS..THydrogen-bonded Turntrans-73.7-18.8170.377.70000115D50 F51D50-S53 PolarHBondContact O-OG 2.88Å; D50-S53 PolarHBondContact OD1-N 3.14Å; F51-S53 PolarHBondContact O-N 3.42Å
54L94.5Very high92.4Very high33 Ų3364.3 Ų64.317%0.17333%0.333CS..  trans-85.8137.4-167.9-54.8177.5000112.9L35 C38 L49 F51 L65L35-L54 HydrophobicContact CD2-CB 3.54Å; L35-L54 HydrophobicContact CD2-CD1 4.15Å; L35-L54 HydrophobicContact CD2-CG 4.5Å; C38-L54 HydrophobicContact CB-CD1 3.57Å; L49-L54 HydrophobicContact CD1-CD1 4.1Å; F51-L54 HydrophobicContact CD2-CD1 4.06Å; F51-L54 HydrophobicContact CE2-CD1 4.38Å; F51-L54 PolarHBondContact O-N 3.11Å; F51-L54 VanDerWaalsContact O-N 3.16Å; L54-L65 HydrophobicContact CD2-CD2 4.18Å
55S93.3Very high92.6Very high47 Ų4764 Ų6433%0.32933%0.334SS..  trans-115.5150.8170.7-164.50000112.5D57 N58 N62S55-D57 PolarHBondContact O-N 2.9Å; S55-D57 PolarHBondContact OG-OD2 3.48Å; S55-N58 PolarHBondContact O-N 3.26Å; S55-N62 PolarHBondContact O-ND2 3.49Å
56K93.1Very high92.8Very high90 Ų9060.5 Ų60.539%0.39132%0.32SS..THydrogen-bonded Turntrans-57.3-29.8176-71.9-174.6166.4-73.40113.8G21 D33 L35 N58 V59G21-K56 WeakPolarHBondContact O-CE 3.4Å; G21-K56 PolarHBondContact O-NZ 2.85Å; D33-K56 HydrophobicContact CB-CB 4.48Å; D33-K56 IonicContact OD2-NZ 2.73Å; D33-K56 PolarHBondContact OD2-NZ 3.33Å; L35-K56 HydrophobicContact CD1-CB 4.46Å; L35-K56 HydrophobicContact CD1-CG 3.55Å; K56-N58 VanDerWaalsContact C-N 3.26Å; K56-N58 PolarHBondContact O-N 3.04Å; K56-V59 WeakPolarHBondContact O-CG2 3.37Å
57D91.9Very high92.8Very high132 Ų13257.2 Ų57.271%0.70630%0.298SS*.THydrogen-bonded Turntrans-71.2-26.2-174.5-41.4-72.4000111.6S55 V59S55-D57 PolarHBondContact O-N 2.9Å; S55-D57 PolarHBondContact OG-OD2 3.48Å; D57-V59 PolarHBondContact O-N 2.92Å
58N93.3Very high92.5Very high85 Ų8556.5 Ų56.546%0.45529%0.291SS..  trans-82.344.3-177-65-10.7000112.4S55 K56 F60 E61 N62S55-N58 PolarHBondContact O-N 3.26Å; K56-N58 VanDerWaalsContact C-N 3.26Å; K56-N58 PolarHBondContact O-N 3.04Å; N58-F60 VanDerWaalsContact C-N 3.27Å; N58-F60 PolarHBondContact O-N 3.35Å; N58-F60 VanDerWaalsContact O-N 3.13Å; N58-E61 HydrophobicContact CB-CB 4.43Å; N58-E61 PolarHBondContact O-N 2.79Å; N58-N62 WeakPolarHBondContact O-CB 3.4Å; N58-N62 PolarHBondContact O-N 3.01Å; N58-N62 PolarHBondContact O-ND2 3.11Å; N58-N62 PolarHBondContact O-OD1 3.08Å
59V92.5Very high92.4Very high22 Ų2255.3 Ų55.313%0.13329%0.286CS..Hα-helixtrans-49.1-44.5-172.1179.30000112.8R32 K56 D57 N63 V86R32-V59 WeakPolarHBondContact O-CG1 3.27Å; K56-V59 WeakPolarHBondContact O-CG2 3.37Å; D57-V59 PolarHBondContact O-N 2.92Å; V59-N63 PolarHBondContact O-N 3.29Å; V59-N63 PolarHBondContact O-ND2 3.07Å; V59-V86 HydrophobicContact CB-CG2 4.17Å; V59-V86 HydrophobicContact CG1-CB 4.46Å; V59-V86 HydrophobicContact CG1-CG2 3.86Å
60F92Very high92Very high83 Ų8354.6 Ų54.636%0.36428%0.282SS..Hα-helixtrans-65.8-56.4179.7-174-109.5000112.2N58 N62 N63 R64 P82 V86N58-F60 VanDerWaalsContact C-N 3.27Å; N58-F60 PolarHBondContact O-N 3.35Å; N58-F60 VanDerWaalsContact O-N 3.13Å; F60-N62 PolarHBondContact O-N 2.86Å; F60-N63 PolarHBondContact O-N 2.8Å; F60-R64 PolarHBondContact O-N 3.02Å; F60-P82 HydrophobicContact CD2-CB 3.75Å; F60-P82 HydrophobicContact CE2-CB 3.76Å; F60-V86 HydrophobicContact CB-CG2 3.67Å; F60-V86 HydrophobicContact CD2-CG2 4.09Å; F60-V86 HydrophobicContact CG-CG2 4.37Å
61E93.4Very high91.4Very high87 Ų8753.9 Ų53.941%0.40728%0.275SS..Hα-helixtrans-61.1-42.4-177-63.7-60.2124.200112N58 N63 R64 L65N58-E61 HydrophobicContact CB-CB 4.43Å; N58-E61 PolarHBondContact O-N 2.79Å; E61-N63 PolarHBondContact O-N 2.73Å; E61-R64 PolarHBondContact O-N 3.48Å; E61-R64 IonicContact OE1-CZ 2.95Å; E61-R64 IonicContact OE1-NH1 2.74Å; E61-R64 PolarHBondContact OE1-NH1 2.76Å; E61-R64 IonicContact OE1-NH2 3.63Å; E61-R64 IonicContact OE2-CZ 3.22Å; E61-R64 VanDerWaalsContact OE2-CZ 3.25Å; E61-R64 IonicContact OE2-NH1 3.59Å; E61-R64 PolarHBondContact OE2-NH1 2.78Å; E61-R64 IonicContact OE2-NH2 2.7Å; E61-R64 PolarHBondContact OE2-NH2 3.07Å; E61-L65 VanDerWaalsContact O-CB 3.24Å; E61-L65 WeakPolarHBondContact O-CB 3.22Å; E61-L65 PolarHBondContact O-N 3.39Å
62N95.4Very high90.5Very high2 Ų261.1 Ų61.11%0.01131%0.307CS..Hα-helixtrans-61.5-44179-64.2-13.4000111.7D33 L35 S55 N58 F60 A66D33-N62 WeakPolarHBondContact O-CB 3.45Å; D33-N62 PolarHBondContact O-ND2 3.41Å; L35-N62 WeakPolarHBondContact CD2-ND2 3.41Å; S55-N62 PolarHBondContact O-ND2 3.49Å; N58-N62 WeakPolarHBondContact O-CB 3.4Å; N58-N62 PolarHBondContact O-N 3.01Å; N58-N62 PolarHBondContact O-ND2 3.11Å; N58-N62 PolarHBondContact O-OD1 3.08Å; F60-N62 PolarHBondContact O-N 2.86Å; N62-A66 VanDerWaalsContact O-CB 3.23Å; N62-A66 WeakPolarHBondContact O-CB 3.33Å; N62-A66 PolarHBondContact O-N 3.41Å
63N92.7Very high90Very high0 Ų059.7 Ų59.70%030%0.296CS..Hα-helixtrans-70.2-43.7177.7-77.5-77.4000111R32 G34 V59 F60 E61 A66 F67 P82 M85R32-N63 PolarHBondContact O-ND2 3.09Å; G34-N63 PolarHBondContact N-ND2 3.45Å; V59-N63 PolarHBondContact O-N 3.29Å; V59-N63 PolarHBondContact O-ND2 3.07Å; F60-N63 PolarHBondContact O-N 2.8Å; E61-N63 PolarHBondContact O-N 2.73Å; N63-A66 PolarHBondContact O-N 2.93Å; N63-F67 HydrophobicContact CB-CE1 4.36Å; N63-F67 HydrophobicContact CB-CE2 3.94Å; N63-F67 HydrophobicContact CB-CZ 3.77Å; N63-F67 VanDerWaalsContact O-CD1 3.26Å; N63-F67 WeakPolarHBondContact O-CD1 3.42Å; N63-F67 WeakPolarHBondContact O-CD2 3.5Å; N63-F67 WeakPolarHBondContact O-CG 3.47Å; N63-F67 PolarHBondContact O-N 3.36Å; N63-F67 WeakPolarHBondContact OD1-CZ 3.27Å; N63-P82 HydrophobicContact CB-CB 4.02Å; N63-P82 HydrophobicContact CB-CG 4.43Å; N63-M85 HydrophobicContact CB-CB 4.44Å; N63-M85 HydrophobicContact CB-CG 4.49Å; N63-M85 VanDerWaalsContact OD1-CE 3.3Å; N63-M85 WeakPolarHBondContact OD1-CE 3.38Å
64R91.3Very high89.2Confident78 Ų7857 Ų5729%0.29428%0.276SS..Hα-helixtrans-59.1-51.6177.7-162.6-17068.8-109.4-7.2111.4F60 E61 A66 F67 E68 P82F60-R64 PolarHBondContact O-N 3.02Å; E61-R64 PolarHBondContact O-N 3.48Å; E61-R64 IonicContact OE1-CZ 2.95Å; E61-R64 IonicContact OE1-NH1 2.74Å; E61-R64 PolarHBondContact OE1-NH1 2.76Å; E61-R64 IonicContact OE1-NH2 3.63Å; E61-R64 IonicContact OE2-CZ 3.22Å; E61-R64 VanDerWaalsContact OE2-CZ 3.25Å; E61-R64 IonicContact OE2-NH1 3.59Å; E61-R64 PolarHBondContact OE2-NH1 2.78Å; E61-R64 IonicContact OE2-NH2 2.7Å; E61-R64 PolarHBondContact OE2-NH2 3.07Å; R64-A66 VanDerWaalsContact C-N 3.32Å; R64-A66 PolarHBondContact O-N 3.26Å; R64-F67 PolarHBondContact O-N 2.85Å; R64-E68 WeakPolarHBondContact CD-OE1 2.83Å; R64-E68 HydrophobicContact CG-CG 4.19Å; R64-E68 VanDerWaalsContact CG-OE1 3.25Å; R64-E68 WeakPolarHBondContact CG-OE1 3.37Å; R64-E68 IonicContact NE-OE1 3.79Å; R64-E68 PolarHBondContact NE-OE1 2.64Å; R64-E68 VanDerWaalsContact NE-OE1 3.09Å; R64-E68 IonicContact NE-OE2 3.65Å; R64-E68 WeakPolarHBondContact O-CB 3.34Å; R64-E68 WeakPolarHBondContact O-CG 3.3Å; R64-E68 PolarHBondContact O-N 3.21Å; R64-P82 HydrophobicContact CB-CB 4.16Å; R64-P82 HydrophobicContact CB-CG 3.78Å; R64-P82 HydrophobicContact CG-CG 4.12Å
65L93.2Very high87.8Confident57 Ų5756 Ų5630%0.29827%0.273SS..Hα-helixtrans-56.3-45176.1176.866.8000111.9L54 E61 F67 V69L54-L65 HydrophobicContact CD2-CD2 4.18Å; E61-L65 VanDerWaalsContact O-CB 3.24Å; E61-L65 WeakPolarHBondContact O-CB 3.22Å; E61-L65 PolarHBondContact O-N 3.39Å; L65-F67 VanDerWaalsContact C-N 3.32Å; L65-F67 PolarHBondContact O-N 2.81Å; L65-V69 HydrophobicContact CD1-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.42Å; L65-V69 VanDerWaalsContact O-CB 3.27Å; L65-V69 WeakPolarHBondContact O-CB 3.47Å; L65-V69 VanDerWaalsContact O-CG2 3.23Å; L65-V69 WeakPolarHBondContact O-CG2 3.2Å; L65-V69 PolarHBondContact O-N 2.72Å
66A93.8Very high87Confident0 Ų054.2 Ų54.20%026%0.26CS..Hα-helixtrans-66.1-32.9-179.500000113.5F37 L41 N62 N63 R64 A70 Y103F37-A66 HydrophobicContact CB-CB 3.6Å; L41-A66 HydrophobicContact CD1-CB 4.16Å; L41-A66 WeakPolarHBondContact CD1-O 3.24Å; N62-A66 VanDerWaalsContact O-CB 3.23Å; N62-A66 WeakPolarHBondContact O-CB 3.33Å; N62-A66 PolarHBondContact O-N 3.41Å; N63-A66 PolarHBondContact O-N 2.93Å; R64-A66 VanDerWaalsContact C-N 3.32Å; R64-A66 PolarHBondContact O-N 3.26Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 2.94Å; A66-Y103 PolarHBondContact O-OH 3.13Å
67F91.3Very high85.9Confident7 Ų752.1 Ų52.13%0.03126%0.255CS..Hα-helixtrans-81.7-45.5179.9-54-13.9000110.5F37 N63 R64 L65 V69 A70 E71 A78 L80 P82 M85 Y99F37-F67 AromaticContact CD2-CE1 3.98Å; F37-F67 HydrophobicContact CD2-CE1 3.98Å; F37-F67 HydrophobicContact CE2-CE1 4Å; F37-F67 HydrophobicContact CE2-CZ 4.39Å; F37-F67 HydrophobicContact CG-CE1 4.28Å; F37-F67 HydrophobicContact CZ-CE1 4.32Å; N63-F67 HydrophobicContact CB-CE1 4.36Å; N63-F67 HydrophobicContact CB-CE2 3.94Å; N63-F67 HydrophobicContact CB-CZ 3.77Å; N63-F67 VanDerWaalsContact O-CD1 3.26Å; N63-F67 WeakPolarHBondContact O-CD1 3.42Å; N63-F67 WeakPolarHBondContact O-CD2 3.5Å; N63-F67 WeakPolarHBondContact O-CG 3.47Å; N63-F67 PolarHBondContact O-N 3.36Å; N63-F67 WeakPolarHBondContact OD1-CZ 3.27Å; R64-F67 PolarHBondContact O-N 2.85Å; L65-F67 VanDerWaalsContact C-N 3.32Å; L65-F67 PolarHBondContact O-N 2.81Å; F67-V69 PolarHBondContact O-N 2.67Å; F67-A70 PolarHBondContact O-N 2.82Å; F67-E71 WeakPolarHBondContact O-CB 3.3Å; F67-E71 PolarHBondContact O-N 2.86Å; F67-A78 HydrophobicContact CB-CB 4.23Å; F67-L80 HydrophobicContact CD2-CB 4.42Å; F67-L80 VanDerWaalsContact CD2-O 3.24Å; F67-L80 WeakPolarHBondContact CD2-O 3.24Å; F67-L80 HydrophobicContact CE1-CD1 4.4Å; F67-L80 HydrophobicContact CE2-CB 3.64Å; F67-L80 VanDerWaalsContact CE2-O 3.31Å; F67-L80 WeakPolarHBondContact CE2-O 3.41Å; F67-L80 HydrophobicContact CZ-CB 3.75Å; F67-L80 HydrophobicContact CZ-CD1 4Å; F67-L80 HydrophobicContact CZ-CG 4.48Å; F67-P82 HydrophobicContact CD2-CG 3.85Å; F67-P82 HydrophobicContact CE2-CG 4.01Å; F67-M85 HydrophobicContact CZ-CG 4.35Å; F67-Y99 AromaticContact CD1-CE1 3.51Å; F67-Y99 HydrophobicContact CD1-CE1 3.51Å; F67-Y99 AromaticContact CD1-CZ 3.91Å; F67-Y99 WeakPolarHBondContact CD1-OH 3.33Å; F67-Y99 HydrophobicContact CE1-CD1 4.37Å; F67-Y99 AromaticContact CE1-CE1 3.58Å; F67-Y99 HydrophobicContact CE1-CE1 3.58Å; F67-Y99 HydrophobicContact CG-CE1 4.34Å; F67-Y99 HydrophobicContact CZ-CE1 4.42Å
68E84.4Confident85.1Confident95 Ų9546.8 Ų46.844%0.44423%0.23SC..Hα-helixtrans-56.2-48.1174.5-74172.1173.700111.7R64 E71 K72R64-E68 WeakPolarHBondContact CD-OE1 2.83Å; R64-E68 HydrophobicContact CG-CG 4.19Å; R64-E68 VanDerWaalsContact CG-OE1 3.25Å; R64-E68 WeakPolarHBondContact CG-OE1 3.37Å; R64-E68 IonicContact NE-OE1 3.79Å; R64-E68 PolarHBondContact NE-OE1 2.64Å; R64-E68 VanDerWaalsContact NE-OE1 3.09Å; R64-E68 IonicContact NE-OE2 3.65Å; R64-E68 WeakPolarHBondContact O-CB 3.34Å; R64-E68 WeakPolarHBondContact O-CG 3.3Å; R64-E68 PolarHBondContact O-N 3.21Å; E68-E71 PolarHBondContact O-N 2.81Å; E68-K72 WeakPolarHBondContact O-CB 3.42Å; E68-K72 PolarHBondContact O-N 3.13Å
69V88.6Confident84.2Confident17 Ų1745.2 Ų45.210%0.10322%0.221CC..Hα-helixtrans-67.1-39.4178.8170.60000111.7L41 L48 L65 F67 E73L41-V69 HydrophobicContact CD1-CG1 4.38Å; L48-V69 HydrophobicContact CB-CG1 3.87Å; L48-V69 HydrophobicContact CD1-CG1 4.07Å; L65-V69 HydrophobicContact CD1-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.42Å; L65-V69 VanDerWaalsContact O-CB 3.27Å; L65-V69 WeakPolarHBondContact O-CB 3.47Å; L65-V69 VanDerWaalsContact O-CG2 3.23Å; L65-V69 WeakPolarHBondContact O-CG2 3.2Å; L65-V69 PolarHBondContact O-N 2.72Å; F67-V69 PolarHBondContact O-N 2.67Å; V69-E73 HydrophobicContact CG1-CG 4.29Å; V69-E73 VanDerWaalsContact O-CB 3.3Å; V69-E73 WeakPolarHBondContact O-CB 3.42Å; V69-E73 PolarHBondContact O-N 3.01Å
70A84.6Confident83.7Confident0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-68-37.9178.800000112.4L41 A66 F67 L74 G75 I76 Y103L41-A70 HydrophobicContact CD2-CB 4.21Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 2.94Å; F67-A70 PolarHBondContact O-N 2.82Å; A70-L74 CarbonylContact O-C 3.57Å; A70-L74 WeakPolarHBondContact O-CA 3.4Å; A70-L74 WeakPolarHBondContact O-CB 3.43Å; A70-L74 PolarHBondContact O-N 2.68Å; A70-G75 PolarHBondContact O-N 3.43Å; A70-G75 VanDerWaalsContact O-N 3.09Å; A70-I76 HydrophobicContact CB-CB 4.23Å; A70-I76 PolarHBondContact O-N 2.71Å; A70-Y103 HydrophobicContact CB-CE1 4.1Å; A70-Y103 VanDerWaalsContact CB-OH 3.28Å; A70-Y103 WeakPolarHBondContact CB-OH 3.41Å
71E79.8Confident83.2Confident92 Ų9241.6 Ų41.643%0.4321%0.205SC..Hα-helixtrans-74.5-44.9178.8-173161.7-105.400112F67 E68 G75 I76 P77 A78F67-E71 WeakPolarHBondContact O-CB 3.3Å; F67-E71 PolarHBondContact O-N 2.86Å; E68-E71 PolarHBondContact O-N 2.81Å; E71-G75 WeakPolarHBondContact O-CA 3.47Å; E71-G75 PolarHBondContact O-N 3.26Å; E71-I76 VanDerWaalsContact CA-O 3.26Å; E71-I76 WeakPolarHBondContact CA-O 3.4Å; E71-I76 PolarHBondContact N-O 2.76Å; E71-P77 VanDerWaalsContact OE1-CA 3.29Å; E71-P77 WeakPolarHBondContact OE1-CA 3.45Å; E71-A78 PolarHBondContact OE1-N 3.38Å
72K75.6Confident82.8Confident163 Ų16338.4 Ų38.471%0.70919%0.192SC*.Hα-helixtrans-76.5-42.8-175.8-176.3172.6171.4-79.90114E68E68-K72 WeakPolarHBondContact O-CB 3.42Å; E68-K72 PolarHBondContact O-N 3.13Å
73E82.5Confident82.3Confident86 Ų8640.9 Ų40.940%0.40221%0.209SC..Hα-helixtrans-101.5-18.6-170.2-53.1-64.8148.800113.3L48 V69L48-E73 HydrophobicContact CD1-CB 3.67Å; L48-E73 HydrophobicContact CD1-CG 4.17Å; L48-E73 HydrophobicContact CD2-CB 4.16Å; L48-E73 HydrophobicContact CD2-CG 3.94Å; V69-E73 HydrophobicContact CG1-CG 4.29Å; V69-E73 VanDerWaalsContact O-CB 3.3Å; V69-E73 WeakPolarHBondContact O-CB 3.42Å; V69-E73 PolarHBondContact O-N 3.01Å
74L76.4Confident81.7Confident21 Ų2141.2 Ų41.211%0.1121%0.211CC..Hα-helixtrans-126.7-2.1-178.7-47.1174.9000113.4L41 R45 L48 A70 I76 F107L41-L74 HydrophobicContact CD2-CD1 3.34Å; R45-L74 HydrophobicContact CG-CD2 4.36Å; L48-L74 HydrophobicContact CD1-CD2 4.32Å; A70-L74 CarbonylContact O-C 3.57Å; A70-L74 WeakPolarHBondContact O-CA 3.4Å; A70-L74 WeakPolarHBondContact O-CB 3.43Å; A70-L74 PolarHBondContact O-N 2.68Å; L74-I76 VanDerWaalsContact C-N 3.26Å; L74-I76 HydrophobicContact CB-CD1 4.1Å; L74-I76 HydrophobicContact CB-CG1 4.09Å; L74-I76 HydrophobicContact CD1-CD1 4.26Å; L74-I76 PolarHBondContact O-N 3.13Å; L74-F107 HydrophobicContact CD1-CE1 4.24Å; L74-F107 HydrophobicContact CD1-CE2 4.35Å; L74-F107 HydrophobicContact CD1-CZ 3.53Å
75G65.6Low81.5Confident12 Ų1237.8 Ų37.812%0.12420%0.198CC..  trans728177.100000116.3A70 E71 P77 R807A70-G75 PolarHBondContact O-N 3.43Å; A70-G75 VanDerWaalsContact O-N 3.09Å; E71-G75 WeakPolarHBondContact O-CA 3.47Å; E71-G75 PolarHBondContact O-N 3.26Å; G75-P77 VanDerWaalsContact O-CD 3.28Å; G75-P77 WeakPolarHBondContact O-CD 3.11Å; G75-R807 PolarHBondContact O-NH1 3.37Å; G75-R807 VanDerWaalsContact O-NH1 3.09Å
76I75.8Confident81.2Confident9 Ų938 Ų385%0.04620%0.202CC..  trans-81.9107.9-173.9-57.5175.5000110.1A70 E71 L74 Y99 Q102 Y103 H106A70-I76 HydrophobicContact CB-CB 4.23Å; A70-I76 PolarHBondContact O-N 2.71Å; E71-I76 VanDerWaalsContact CA-O 3.26Å; E71-I76 WeakPolarHBondContact CA-O 3.4Å; E71-I76 PolarHBondContact N-O 2.76Å; L74-I76 VanDerWaalsContact C-N 3.26Å; L74-I76 HydrophobicContact CB-CD1 4.1Å; L74-I76 HydrophobicContact CB-CG1 4.09Å; L74-I76 HydrophobicContact CD1-CD1 4.26Å; L74-I76 PolarHBondContact O-N 3.13Å; I76-Y99 HydrophobicContact CG2-CE2 4.09Å; I76-Q102 HydrophobicContact CG2-CB 3.81Å; I76-Y103 HydrophobicContact CD1-CD1 4.44Å; I76-Y103 HydrophobicContact CD1-CG 4.37Å; I76-Y103 HydrophobicContact CG2-CD2 4.37Å; I76-Y103 HydrophobicContact CG2-CE2 4.2Å; I76-H106 HydrophobicContact CD1-CB 3.97Å
77P69.5Low80.6Confident46 Ų4642 Ų4230%0.29923%0.23SC..  trans-69.2137.4-168.9-20.233.7000113.7E71 G75 L79 Y99E71-P77 VanDerWaalsContact OE1-CA 3.29Å; E71-P77 WeakPolarHBondContact OE1-CA 3.45Å; G75-P77 VanDerWaalsContact O-CD 3.28Å; G75-P77 WeakPolarHBondContact O-CD 3.11Å; P77-L79 PolarHBondContact O-N 3.35Å; P77-L79 VanDerWaalsContact O-N 3.09Å; P77-Y99 VanDerWaalsContact O-CE2 3.26Å; P77-Y99 WeakPolarHBondContact O-CE2 3.33Å
78A74.9Confident79.9Confident21 Ų2143 Ų4317%0.17424%0.235CC..  trans-66.5107.5-176.900000112.5F67 E71 L178F67-A78 HydrophobicContact CB-CB 4.23Å; E71-A78 PolarHBondContact OE1-N 3.38Å; A78-L178 WeakPolarHBondContact O-CD1 3.25Å
79L74.3Confident79.4Confident51 Ų5142.9 Ų42.927%0.26725%0.245SC..  trans-91.6-7.8176.6-63.1-172000114.3P77 T98 Y99 R176P77-L79 PolarHBondContact O-N 3.35Å; P77-L79 VanDerWaalsContact O-N 3.09Å; L79-T98 HydrophobicContact CD1-CG2 3.9Å; L79-Y99 HydrophobicContact CB-CD2 3.81Å; L79-Y99 HydrophobicContact CB-CG 4.25Å; L79-Y99 HydrophobicContact CD1-CD2 4.3Å; L79-Y99 HydrophobicContact CG-CD2 3.95Å; L79-R176 PolarHBondContact O-NH1 3.03Å
80L83.4Confident79.1Confident10 Ų1046.1 Ų46.15%0.05226%0.264CS..SBendtrans-125.6143-173-54.1-179.8000110F37 F67 M85 I96 Y99F37-L80 HydrophobicContact CE2-CD1 4.47Å; F37-L80 HydrophobicContact CZ-CD1 3.84Å; F67-L80 HydrophobicContact CD2-CB 4.42Å; F67-L80 VanDerWaalsContact CD2-O 3.24Å; F67-L80 WeakPolarHBondContact CD2-O 3.24Å; F67-L80 HydrophobicContact CE1-CD1 4.4Å; F67-L80 HydrophobicContact CE2-CB 3.64Å; F67-L80 VanDerWaalsContact CE2-O 3.31Å; F67-L80 WeakPolarHBondContact CE2-O 3.41Å; F67-L80 HydrophobicContact CZ-CB 3.75Å; F67-L80 HydrophobicContact CZ-CD1 4Å; F67-L80 HydrophobicContact CZ-CG 4.48Å; L80-M85 HydrophobicContact CD1-SD 4.45Å; L80-I96 HydrophobicContact CD1-CD1 3.75Å; L80-Y99 HydrophobicContact CD1-CD1 3.45Å; L80-Y99 VanDerWaalsContact CD1-CD1 3.45Å; L80-Y99 HydrophobicContact CD1-CE1 4.18Å; L80-Y99 HydrophobicContact CD1-CG 4.1Å; L80-Y99 HydrophobicContact CG-CD1 3.82Å; L80-Y99 HydrophobicContact CG-CE1 4.46Å; L80-Y99 HydrophobicContact CG-CG 4.08Å
81D80.9Confident79Confident20 Ų2046.2 Ų46.211%0.10727%0.265CS..  trans-93.7132172.2-164.4-59000109.9S83 D84 M85D81-S83 PolarHBondContact O-N 3.25Å; D81-S83 WeakPolarHBondContact OD1-CA 3.45Å; D81-S83 WeakPolarHBondContact OD1-CB 3.46Å; D81-S83 PolarHBondContact OD1-N 2.9Å; D81-S83 PolarHBondContact OD1-OG 3.1Å; D81-D84 HydrophobicContact CB-CB 4.22Å; D81-D84 WeakPolarHBondContact O-CB 3.38Å; D81-D84 PolarHBondContact O-N 2.96Å; D81-D84 VanDerWaalsContact O-N 3.12Å; D81-M85 PolarHBondContact O-N 2.73Å
82P85.7Confident79.2Confident19 Ų1943.3 Ų43.312%0.12325%0.253CS..Hα-helixtrans-56.6-29.5173.7-25.736000113.5F60 N63 R64 F67 M85 V86F60-P82 HydrophobicContact CD2-CB 3.75Å; F60-P82 HydrophobicContact CE2-CB 3.76Å; N63-P82 HydrophobicContact CB-CB 4.02Å; N63-P82 HydrophobicContact CB-CG 4.43Å; R64-P82 HydrophobicContact CB-CB 4.16Å; R64-P82 HydrophobicContact CB-CG 3.78Å; R64-P82 HydrophobicContact CG-CG 4.12Å; F67-P82 HydrophobicContact CD2-CG 3.85Å; F67-P82 HydrophobicContact CE2-CG 4.01Å; P82-M85 PolarHBondContact O-N 2.94Å; P82-V86 WeakPolarHBondContact O-CG2 3.41Å; P82-V86 PolarHBondContact O-N 2.9Å
83S83.6Confident79.6Confident54 Ų5437 Ų3738%0.37823%0.228SC..Hα-helixtrans-68.3-37.2177-39.30000112.3D81 M85 V86 S87D81-S83 PolarHBondContact O-N 3.25Å; D81-S83 WeakPolarHBondContact OD1-CA 3.45Å; D81-S83 WeakPolarHBondContact OD1-CB 3.46Å; D81-S83 PolarHBondContact OD1-N 2.9Å; D81-S83 PolarHBondContact OD1-OG 3.1Å; S83-M85 VanDerWaalsContact C-N 3.3Å; S83-M85 PolarHBondContact O-N 2.75Å; S83-V86 PolarHBondContact O-N 3.32Å; S83-S87 WeakPolarHBondContact O-CB 3.39Å; S83-S87 PolarHBondContact O-N 3.45Å; S83-S87 PolarHBondContact O-OG 3.47Å
84D81.6Confident79.7Confident7 Ų733.4 Ų33.44%0.03721%0.212CC..Hα-helixtrans-64.6-36.4173.6-77.3-16.9000111.3D81 S87 M88 P160 S161D81-D84 HydrophobicContact CB-CB 4.22Å; D81-D84 WeakPolarHBondContact O-CB 3.38Å; D81-D84 PolarHBondContact O-N 2.96Å; D81-D84 VanDerWaalsContact O-N 3.12Å; D84-S87 WeakPolarHBondContact CA-OG 3.41Å; D84-S87 PolarHBondContact O-OG 3.37Å; D84-M88 PolarHBondContact O-N 3.49Å; D84-M88 VanDerWaalsContact O-N 3.11Å; D84-P160 HydrophobicContact CB-CB 3.81Å; D84-P160 WeakPolarHBondContact OD1-CB 3.33Å; D84-P160 WeakPolarHBondContact OD2-CB 3.46Å; D84-S161 WeakPolarHBondContact OD1-CA 3.49Å; D84-S161 WeakPolarHBondContact OD1-CB 3.36Å; D84-S161 PolarHBondContact OD1-N 3.34Å; D84-S161 PolarHBondContact OD1-OG 2.73Å
85M86.6Confident80.1Confident6 Ų632.8 Ų32.83%0.0321%0.209CC..Hα-helixtrans-71.8-32-179.6-62.8-66.7-78.500112.8F31 R32 F37 N63 F67 L80 D81 P82 S83 P91 I96F31-M85 WeakPolarHBondContact O-CE 3.47Å; R32-M85 WeakPolarHBondContact CG-O 3.3Å; R32-M85 PolarHBondContact NE-O 3.09Å; F37-M85 HydrophobicContact CE2-CE 3.98Å; N63-M85 HydrophobicContact CB-CB 4.44Å; N63-M85 HydrophobicContact CB-CG 4.49Å; N63-M85 VanDerWaalsContact OD1-CE 3.3Å; N63-M85 WeakPolarHBondContact OD1-CE 3.38Å; F67-M85 HydrophobicContact CZ-CG 4.35Å; L80-M85 HydrophobicContact CD1-SD 4.45Å; D81-M85 PolarHBondContact O-N 2.73Å; P82-M85 PolarHBondContact O-N 2.94Å; S83-M85 VanDerWaalsContact C-N 3.3Å; S83-M85 PolarHBondContact O-N 2.75Å; M85-P91 HydrophobicContact CE-CB 4.32Å; M85-P91 HydrophobicContact CE-CG 4.03Å; M85-P91 HydrophobicContact SD-CB 3.95Å; M85-P91 HydrophobicContact SD-CG 3.97Å; M85-I96 HydrophobicContact CE-CD1 3.8Å; M85-I96 HydrophobicContact SD-CD1 4.02Å
86V86.6Confident81.3Confident61 Ų6132.3 Ų32.337%0.3720%0.204SC..Hα-helixtrans-71.3-53.4171.6176.30000110.8R32 V59 F60 P82 S83 M88R32-V86 PolarHBondContact NH2-O 2.91Å; V59-V86 HydrophobicContact CB-CG2 4.17Å; V59-V86 HydrophobicContact CG1-CB 4.46Å; V59-V86 HydrophobicContact CG1-CG2 3.86Å; F60-V86 HydrophobicContact CB-CG2 3.67Å; F60-V86 HydrophobicContact CD2-CG2 4.09Å; F60-V86 HydrophobicContact CG-CG2 4.37Å; P82-V86 WeakPolarHBondContact O-CG2 3.41Å; P82-V86 PolarHBondContact O-N 2.9Å; S83-V86 PolarHBondContact O-N 3.32Å; V86-M88 PolarHBondContact O-N 3.18Å
87S80Confident81.8Confident85 Ų8532.3 Ų32.359%0.59420%0.204SC*.Hα-helixtrans-67.5-33.7-169.853.60000113.6S83 D84S83-S87 WeakPolarHBondContact O-CB 3.39Å; S83-S87 PolarHBondContact O-N 3.45Å; S83-S87 PolarHBondContact O-OG 3.47Å; D84-S87 WeakPolarHBondContact CA-OG 3.41Å; D84-S87 PolarHBondContact O-OG 3.37Å
88M77.3Confident82.5Confident27 Ų2730.4 Ų30.413%0.13319%0.192CC..  trans-89.9129.8175.9-62.7-155.2-60.300112.7R32 D84 V86 V90 P160R32-M88 WeakPolarHBondContact CD-O 3.42Å; R32-M88 PolarHBondContact NE-O 3.08Å; D84-M88 PolarHBondContact O-N 3.49Å; D84-M88 VanDerWaalsContact O-N 3.11Å; V86-M88 PolarHBondContact O-N 3.18Å; M88-V90 VanDerWaalsContact C-N 3.3Å; M88-V90 PolarHBondContact O-N 3.11Å; M88-P160 HydrophobicContact CE-CB 3.77Å; M88-P160 HydrophobicContact CE-CG 3.83Å; M88-P160 HydrophobicContact CG-CB 4.43Å; M88-P160 HydrophobicContact SD-CB 3.82Å; M88-P160 WeakPolarHBondContact SD-CD 3.19Å; M88-P160 HydrophobicContact SD-CG 4.02Å
89S74.9Confident83.1Confident93 Ų9329.4 Ų29.465%0.6518%0.183SC*.SBendtrans-70.4-25.2173.3570000113.4R32R32-S89 WeakPolarHBondContact CD-O 3.24Å
90V82.1Confident83.9Confident85 Ų8527 Ų2752%0.51517%0.171SC..SBendtrans-132.5105.1174.5-177.40000108.7M88M88-V90 VanDerWaalsContact C-N 3.3Å; M88-V90 PolarHBondContact O-N 3.11Å
91P82.9Confident83.8Confident2 Ų227 Ų271%0.01317%0.171CC..  trans-55.1142.9172.5-28.536.4000113.1S28 R32 M85 C93 I96S28-P91 WeakPolarHBondContact CB-O 3.28Å; R32-P91 HydrophobicContact CB-CG 3.64Å; R32-P91 HydrophobicContact CG-CG 3.89Å; M85-P91 HydrophobicContact CE-CB 4.32Å; M85-P91 HydrophobicContact CE-CG 4.03Å; M85-P91 HydrophobicContact SD-CB 3.95Å; M85-P91 HydrophobicContact SD-CG 3.97Å; P91-C93 PolarHBondContact O-N 3.46Å; P91-I96 HydrophobicContact CB-CD1 3.84Å; P91-I96 HydrophobicContact CB-CG1 3.72Å
92D82.8Confident83.9Confident32 Ų3227 Ų2717%0.17117%0.171CC..  trans-62.1123.4-179.116743000112.1L94 S95 I96 R709D92-L94 VanDerWaalsContact C-N 3.28Å; D92-L94 PolarHBondContact O-N 3Å; D92-L94 PolarHBondContact OD1-N 3.3Å; D92-S95 PolarHBondContact O-N 3.25Å; D92-S95 VanDerWaalsContact OD2-CB 3.31Å; D92-S95 WeakPolarHBondContact OD2-CB 3.27Å; D92-S95 PolarHBondContact OD2-N 3.03Å; D92-S95 PolarHBondContact OD2-OG 3.25Å; D92-I96 WeakPolarHBondContact O-CG1 3.33Å; D92-I96 PolarHBondContact O-N 3.43Å; D92-R709 IonicContact OD1-CZ 2.79Å; D92-R709 IonicContact OD1-NH1 2.8Å; D92-R709 PolarHBondContact OD1-NH1 3.13Å; D92-R709 IonicContact OD1-NH2 3.82Å; D92-R709 IonicContact OD2-CZ 3.73Å; D92-R709 IonicContact OD2-NH1 2.72Å; D92-R709 PolarHBondContact OD2-NH1 2.92Å; D92-R709 VanDerWaalsContact OD2-NH1 3.14Å; D92-R709 IonicContact OD2-NH2 3.97Å; D92-R709 PolarHBondContact OD2-NH2 3.12Å
93C85.4Confident83.9Confident30 Ų3026.1 Ų26.120%0.20317%0.165CC..Hα-helixtrans-64.5-29.3-175.8-173.10000113.5R5 L27 P91 M97R5-C93 PolarHBondContact NH2-SG 3.48Å; R5-C93 VanDerWaalsContact NH2-SG 3.44Å; L27-C93 VanDerWaalsContact O-CA 3.29Å; L27-C93 WeakPolarHBondContact O-CA 3.37Å; L27-C93 PolarHBondContact O-SG 2.52Å; L27-C93 VanDerWaalsContact O-SG 3.41Å; P91-C93 PolarHBondContact O-N 3.46Å; C93-M97 WeakPolarHBondContact O-CB 3.23Å; C93-M97 PolarHBondContact O-N 3.46Å
94L83.6Confident83.9Confident11 Ų1125.2 Ų25.26%0.05815%0.154CC..Hα-helixtrans-75.3-39.8176-177.359.5000111.7D92 M97 T98 L173 E705 L708 L721D92-L94 VanDerWaalsContact C-N 3.28Å; D92-L94 PolarHBondContact O-N 3Å; D92-L94 PolarHBondContact OD1-N 3.3Å; L94-M97 HydrophobicContact CD1-CE 4.03Å; L94-T98 WeakPolarHBondContact O-CB 3.38Å; L94-T98 PolarHBondContact O-N 3.32Å; L94-T98 PolarHBondContact O-OG1 3.2Å; L94-L173 HydrophobicContact CD2-CD2 4.4Å; L94-L173 HydrophobicContact CG-CD2 4.01Å; L94-E705 HydrophobicContact CD2-CB 4.39Å; L94-E705 HydrophobicContact CD2-CG 3.9Å; L94-L708 HydrophobicContact CD1-CD1 4.11Å; L94-L708 HydrophobicContact CD2-CB 4.08Å; L94-L708 HydrophobicContact CD2-CD1 4.19Å; L94-L721 HydrophobicContact CD1-CD2 3.89Å
95S85.8Confident83.6Confident8 Ų825.8 Ų25.86%0.05616%0.157CC..Hα-helixtrans-61.3-54.1174.1-60.80000111.7D92 M97 T98 Y99D92-S95 PolarHBondContact O-N 3.25Å; D92-S95 VanDerWaalsContact OD2-CB 3.31Å; D92-S95 WeakPolarHBondContact OD2-CB 3.27Å; D92-S95 PolarHBondContact OD2-N 3.03Å; D92-S95 PolarHBondContact OD2-OG 3.25Å; S95-M97 PolarHBondContact O-N 3.01Å; S95-T98 PolarHBondContact O-N 2.85Å; S95-Y99 PolarHBondContact O-N 2.87Å
96I89.3Confident83.1Confident1 Ų126.8 Ų26.81%0.00516%0.161CC..Hα-helixtrans-59.3-46.5177.5-62.3-62.4000110.5L27 F31 F37 L80 M85 P91 D92 T98 Y99 V100L27-I96 HydrophobicContact CB-CG2 4.35Å; L27-I96 WeakPolarHBondContact O-CB 3.16Å; L27-I96 WeakPolarHBondContact O-CG2 3.46Å; F31-I96 HydrophobicContact CB-CD1 3.98Å; F31-I96 HydrophobicContact CB-CG1 4.49Å; F31-I96 HydrophobicContact CB-CG2 3.97Å; F31-I96 HydrophobicContact CD1-CG2 4.22Å; F31-I96 HydrophobicContact CD2-CG2 3.7Å; F31-I96 HydrophobicContact CE2-CG2 4.25Å; F31-I96 HydrophobicContact CG-CG2 3.69Å; F37-I96 HydrophobicContact CE2-CD1 4.48Å; F37-I96 HydrophobicContact CZ-CD1 4.04Å; L80-I96 HydrophobicContact CD1-CD1 3.75Å; M85-I96 HydrophobicContact CE-CD1 3.8Å; M85-I96 HydrophobicContact SD-CD1 4.02Å; P91-I96 HydrophobicContact CB-CD1 3.84Å; P91-I96 HydrophobicContact CB-CG1 3.72Å; D92-I96 WeakPolarHBondContact O-CG1 3.33Å; D92-I96 PolarHBondContact O-N 3.43Å; I96-T98 VanDerWaalsContact C-N 3.33Å; I96-T98 PolarHBondContact O-N 3.35Å; I96-Y99 PolarHBondContact O-N 2.97Å; I96-V100 HydrophobicContact CG2-CG2 3.88Å; I96-V100 WeakPolarHBondContact O-CB 3.38Å; I96-V100 WeakPolarHBondContact O-CG2 3.34Å; I96-V100 PolarHBondContact O-N 3.26Å
97M86.6Confident82.9Confident9 Ų925.6 Ų25.64%0.04415%0.151CC..Hα-helixtrans-61.9-37.9177.7175.3163.95100112.9R5 L8 L27 C93 L94 S95 S101 L721 F725R5-M97 HydrophobicContact CB-SD 3.72Å; R5-M97 HydrophobicContact CG-CE 4.5Å; R5-M97 HydrophobicContact CG-SD 3.72Å; L8-M97 HydrophobicContact CD2-CB 4.46Å; L8-M97 HydrophobicContact CD2-CG 3.87Å; L8-M97 WeakPolarHBondContact CD2-O 3.45Å; L27-M97 HydrophobicContact CD1-CB 4.16Å; L27-M97 HydrophobicContact CD1-CG 4.24Å; L27-M97 HydrophobicContact CD1-SD 4.3Å; C93-M97 WeakPolarHBondContact O-CB 3.23Å; C93-M97 PolarHBondContact O-N 3.46Å; L94-M97 HydrophobicContact CD1-CE 4.03Å; S95-M97 PolarHBondContact O-N 3.01Å; M97-S101 VanDerWaalsContact O-CB 3.29Å; M97-S101 WeakPolarHBondContact O-CB 3.26Å; M97-S101 PolarHBondContact O-N 3.01Å; M97-L721 HydrophobicContact CE-CD1 3.81Å; M97-L721 HydrophobicContact CE-CD2 3.45Å; M97-L721 VanDerWaalsContact CE-CD2 3.45Å; M97-L721 HydrophobicContact CE-CG 4.3Å; M97-L721 HydrophobicContact SD-CD1 3.95Å; M97-L721 HydrophobicContact SD-CD2 4.26Å; M97-F725 HydrophobicContact CG-CZ 4.37Å
98T84.6Confident82.5Confident7 Ų723.9 Ų23.94%0.04314%0.139CC..Hα-helixtrans-67.5-49.6178.5-57.50000110.5L79 L94 S95 I96 S101 W724L79-T98 HydrophobicContact CD1-CG2 3.9Å; L94-T98 WeakPolarHBondContact O-CB 3.38Å; L94-T98 PolarHBondContact O-N 3.32Å; L94-T98 PolarHBondContact O-OG1 3.2Å; S95-T98 PolarHBondContact O-N 2.85Å; I96-T98 VanDerWaalsContact C-N 3.33Å; I96-T98 PolarHBondContact O-N 3.35Å; T98-S101 WeakPolarHBondContact O-CB 3.45Å; T98-S101 PolarHBondContact O-N 3.16Å; T98-S101 PolarHBondContact O-OG 3.44Å; T98-W724 PolarHBondContact OG1-NE1 3.44Å
99Y88.2Confident81.5Confident0 Ų023.8 Ų23.80%014%0.141CC..Hα-helixtrans-67-48.5179.6-170.2-131.7000112.4F37 F67 I76 P77 L79 L80 S95 I96 S101 Q102 Y103F37-Y99 HydrophobicContact CD1-CD1 4.3Å; F37-Y99 HydrophobicContact CD1-CE1 4.22Å; F37-Y99 AromaticContact CE1-CD1 3.53Å; F37-Y99 HydrophobicContact CE1-CD1 3.53Å; F37-Y99 AromaticContact CE1-CE1 3.88Å; F37-Y99 HydrophobicContact CE1-CE1 3.88Å; F37-Y99 AromaticContact CZ-CD1 3.97Å; F37-Y99 HydrophobicContact CZ-CD1 3.97Å; F37-Y99 HydrophobicContact CZ-CE1 4.41Å; F67-Y99 AromaticContact CD1-CE1 3.51Å; F67-Y99 HydrophobicContact CD1-CE1 3.51Å; F67-Y99 AromaticContact CD1-CZ 3.91Å; F67-Y99 WeakPolarHBondContact CD1-OH 3.33Å; F67-Y99 HydrophobicContact CE1-CD1 4.37Å; F67-Y99 AromaticContact CE1-CE1 3.58Å; F67-Y99 HydrophobicContact CE1-CE1 3.58Å; F67-Y99 HydrophobicContact CG-CE1 4.34Å; F67-Y99 HydrophobicContact CZ-CE1 4.42Å; I76-Y99 HydrophobicContact CG2-CE2 4.09Å; P77-Y99 VanDerWaalsContact O-CE2 3.26Å; P77-Y99 WeakPolarHBondContact O-CE2 3.33Å; L79-Y99 HydrophobicContact CB-CD2 3.81Å; L79-Y99 HydrophobicContact CB-CG 4.25Å; L79-Y99 HydrophobicContact CD1-CD2 4.3Å; L79-Y99 HydrophobicContact CG-CD2 3.95Å; L80-Y99 HydrophobicContact CD1-CD1 3.45Å; L80-Y99 VanDerWaalsContact CD1-CD1 3.45Å; L80-Y99 HydrophobicContact CD1-CE1 4.18Å; L80-Y99 HydrophobicContact CD1-CG 4.1Å; L80-Y99 HydrophobicContact CG-CD1 3.82Å; L80-Y99 HydrophobicContact CG-CE1 4.46Å; L80-Y99 HydrophobicContact CG-CG 4.08Å; S95-Y99 PolarHBondContact O-N 2.87Å; I96-Y99 PolarHBondContact O-N 2.97Å; Y99-S101 PolarHBondContact O-N 2.72Å; Y99-S101 VanDerWaalsContact O-N 3.16Å; Y99-Q102 VanDerWaalsContact CD2-OE1 3.31Å; Y99-Q102 VanDerWaalsContact O-CB 3.31Å; Y99-Q102 WeakPolarHBondContact O-CB 3.35Å; Y99-Q102 PolarHBondContact O-N 2.99Å; Y99-Y103 AromaticContact CD1-CE2 3.89Å; Y99-Y103 HydrophobicContact CD1-CE2 3.89Å; Y99-Y103 HydrophobicContact CD2-CE2 4.27Å; Y99-Y103 AromaticContact CE1-CE2 3.52Å; Y99-Y103 HydrophobicContact CE1-CE2 3.52Å; Y99-Y103 AromaticContact CE1-CZ 3.98Å; Y99-Y103 WeakPolarHBondContact CE1-OH 3.46Å; Y99-Y103 AromaticContact CE2-CE2 3.92Å; Y99-Y103 HydrophobicContact CE2-CE2 3.92Å; Y99-Y103 HydrophobicContact CG-CE2 4.26Å; Y99-Y103 AromaticContact CZ-CE2 3.55Å; Y99-Y103 AromaticContact CZ-CZ 4Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.43Å; Y99-Y103 PolarHBondContact OH-OH 3.14Å; Y99-Y103 VanDerWaalsContact OH-OH 3.12Å
100V89.3Confident80.2Confident0 Ų024.8 Ų24.80%015%0.145CC..Hα-helixtrans-63.7-23.3177.6178.50000112.3L8 W11 C12 F31 F37 I96 Q102 Y103 Y104L8-V100 HydrophobicContact CD1-CG1 4.29Å; L8-V100 HydrophobicContact CD2-CB 4.43Å; L8-V100 HydrophobicContact CD2-CG1 4.36Å; L8-V100 HydrophobicContact CG-CG1 4.34Å; W11-V100 HydrophobicContact CZ3-CG1 4.4Å; C12-V100 WeakPolarHBondContact SG-CG1 3.13Å; F31-V100 HydrophobicContact CD1-CG2 3.85Å; F31-V100 HydrophobicContact CE1-CG1 4.2Å; F31-V100 HydrophobicContact CE1-CG2 3.47Å; F31-V100 VanDerWaalsContact CE1-CG2 3.47Å; F31-V100 HydrophobicContact CZ-CG1 4.15Å; F31-V100 HydrophobicContact CZ-CG2 3.96Å; F37-V100 HydrophobicContact CD1-CG2 4.38Å; F37-V100 HydrophobicContact CE1-CG2 3.52Å; F37-V100 HydrophobicContact CZ-CG2 4.11Å; I96-V100 HydrophobicContact CG2-CG2 3.88Å; I96-V100 WeakPolarHBondContact O-CB 3.38Å; I96-V100 WeakPolarHBondContact O-CG2 3.34Å; I96-V100 PolarHBondContact O-N 3.26Å; V100-Q102 VanDerWaalsContact C-N 3.3Å; V100-Q102 PolarHBondContact O-N 3.27Å; V100-Y103 PolarHBondContact O-N 2.93Å; V100-Y104 PolarHBondContact O-N 3.35Å
101S83.1Confident78.5Confident9 Ų923.4 Ų23.46%0.06315%0.148CC..Hα-helixtrans-61.4-38.3170.180.40000112.2M97 T98 Y99 Y103 Y104 N105M97-S101 VanDerWaalsContact O-CB 3.29Å; M97-S101 WeakPolarHBondContact O-CB 3.26Å; M97-S101 PolarHBondContact O-N 3.01Å; T98-S101 WeakPolarHBondContact O-CB 3.45Å; T98-S101 PolarHBondContact O-N 3.16Å; T98-S101 PolarHBondContact O-OG 3.44Å; Y99-S101 PolarHBondContact O-N 2.72Å; Y99-S101 VanDerWaalsContact O-N 3.16Å; S101-Y103 PolarHBondContact O-N 3.49Å; S101-Y104 PolarHBondContact O-N 2.97Å; S101-N105 WeakPolarHBondContact O-CB 3.46Å; S101-N105 PolarHBondContact O-N 3.31Å; S101-N105 PolarHBondContact O-ND2 3.43Å; S101-N105 VanDerWaalsContact O-ND2 3.1Å; S101-N105 PolarHBondContact O-OD1 3.03Å
102Q82.3Confident76.7Confident22 Ų2229.2 Ų29.210%0.10318%0.175CC..Hα-helixtrans-62.5-43.5176.5-60.1174.8-28.800111.3I76 Y99 V100 N105 H106I76-Q102 HydrophobicContact CG2-CB 3.81Å; Y99-Q102 VanDerWaalsContact CD2-OE1 3.31Å; Y99-Q102 VanDerWaalsContact O-CB 3.31Å; Y99-Q102 WeakPolarHBondContact O-CB 3.35Å; Y99-Q102 PolarHBondContact O-N 2.99Å; V100-Q102 VanDerWaalsContact C-N 3.3Å; V100-Q102 PolarHBondContact O-N 3.27Å; Q102-N105 PolarHBondContact O-N 3.45Å; Q102-H106 VanDerWaalsContact O-CB 3.32Å; Q102-H106 WeakPolarHBondContact O-CB 3.05Å; Q102-H106 PolarHBondContact O-N 3.43Å
103Y86.5Confident74.5Confident0 Ų032.2 Ų32.20%021%0.205CC..Hα-helixtrans-62.2-46.5174.1-71.7-110.7000112.2F37 I40 L41 A66 A70 I76 Y99 V100 S101 N105 H106 F107F37-Y103 HydrophobicContact CD1-CE1 4.46Å; F37-Y103 HydrophobicContact CD1-CE2 4.12Å; F37-Y103 AromaticContact CD1-CZ 3.96Å; F37-Y103 HydrophobicContact CE1-CE2 4.43Å; I40-Y103 HydrophobicContact CG2-CD1 3.85Å; I40-Y103 HydrophobicContact CG2-CG 4.48Å; L41-Y103 HydrophobicContact CD1-CE1 4.41Å; L41-Y103 HydrophobicContact CD2-CD1 4.38Å; L41-Y103 HydrophobicContact CD2-CE1 3.79Å; L41-Y103 HydrophobicContact CG-CE1 3.94Å; A66-Y103 PolarHBondContact O-OH 3.13Å; A70-Y103 HydrophobicContact CB-CE1 4.1Å; A70-Y103 VanDerWaalsContact CB-OH 3.28Å; A70-Y103 WeakPolarHBondContact CB-OH 3.41Å; I76-Y103 HydrophobicContact CD1-CD1 4.44Å; I76-Y103 HydrophobicContact CD1-CG 4.37Å; I76-Y103 HydrophobicContact CG2-CD2 4.37Å; I76-Y103 HydrophobicContact CG2-CE2 4.2Å; Y99-Y103 AromaticContact CD1-CE2 3.89Å; Y99-Y103 HydrophobicContact CD1-CE2 3.89Å; Y99-Y103 HydrophobicContact CD2-CE2 4.27Å; Y99-Y103 AromaticContact CE1-CE2 3.52Å; Y99-Y103 HydrophobicContact CE1-CE2 3.52Å; Y99-Y103 AromaticContact CE1-CZ 3.98Å; Y99-Y103 WeakPolarHBondContact CE1-OH 3.46Å; Y99-Y103 AromaticContact CE2-CE2 3.92Å; Y99-Y103 HydrophobicContact CE2-CE2 3.92Å; Y99-Y103 HydrophobicContact CG-CE2 4.26Å; Y99-Y103 AromaticContact CZ-CE2 3.55Å; Y99-Y103 AromaticContact CZ-CZ 4Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.43Å; Y99-Y103 PolarHBondContact OH-OH 3.14Å; Y99-Y103 VanDerWaalsContact OH-OH 3.12Å; V100-Y103 PolarHBondContact O-N 2.93Å; S101-Y103 PolarHBondContact O-N 3.49Å; Y103-N105 VanDerWaalsContact C-N 3.25Å; Y103-N105 PolarHBondContact O-N 3.37Å; Y103-H106 PolarHBondContact O-N 2.87Å; Y103-F107 HydrophobicContact CD1-CE2 4.19Å; Y103-F107 VanDerWaalsContact O-CD2 3.22Å; Y103-F107 WeakPolarHBondContact O-CD2 3.32Å; Y103-F107 PolarHBondContact O-N 2.95Å; Y103-F107 VanDerWaalsContact O-N 3.07Å
104Y83.6Confident72.3Confident35 Ų3534.2 Ų34.214%0.13723%0.23CC..Hα-helixtrans-57.6-43.5176.1161.1-110.4000111.5L8 W11 V100 S101 S108 M818 K821L8-Y104 HydrophobicContact CD1-CD1 3.96Å; L8-Y104 HydrophobicContact CD1-CG 3.67Å; W11-Y104 HydrophobicContact CB-CD2 3.98Å; W11-Y104 HydrophobicContact CB-CE2 4.36Å; W11-Y104 AromaticContact CD1-CD2 3.46Å; W11-Y104 VanDerWaalsContact CD1-CD2 3.46Å; W11-Y104 AromaticContact CD1-CE2 3.81Å; W11-Y104 AromaticContact CD2-CD2 3.61Å; W11-Y104 HydrophobicContact CD2-CD2 3.61Å; W11-Y104 HydrophobicContact CD2-CG 4.25Å; W11-Y104 AromaticContact CE2-CD2 3.79Å; W11-Y104 HydrophobicContact CE3-CD2 4.26Å; W11-Y104 HydrophobicContact CE3-CG 4.48Å; W11-Y104 AromaticContact CG-CD2 3.44Å; W11-Y104 HydrophobicContact CG-CD2 3.44Å; W11-Y104 VanDerWaalsContact CG-CD2 3.44Å; W11-Y104 HydrophobicContact CG-CE2 4.05Å; W11-Y104 HydrophobicContact CG-CG 4.41Å; W11-Y104 AromaticContact NE1-CD2 3.63Å; V100-Y104 PolarHBondContact O-N 3.35Å; S101-Y104 PolarHBondContact O-N 2.97Å; Y104-S108 VanDerWaalsContact CD2-OG 3.25Å; Y104-S108 WeakPolarHBondContact CD2-OG 3.29Å; Y104-S108 WeakPolarHBondContact CE2-OG 3.29Å; Y104-S108 WeakPolarHBondContact O-CB 3.37Å; Y104-S108 PolarHBondContact O-N 2.94Å; Y104-S108 PolarHBondContact O-OG 3.42Å; Y104-M818 HydrophobicContact CE1-CE 4.43Å; Y104-K821 PolarHBondContact OH-NZ 3.23Å
105N74.6Confident69.8Low19 Ų1940.2 Ų40.210%0.10227%0.267CS..Hα-helixtrans-66.5-54.4-178.6-71.4-14.7000110.1S101 Q102 Y103 F107 S108 S109 M814 M818S101-N105 WeakPolarHBondContact O-CB 3.46Å; S101-N105 PolarHBondContact O-N 3.31Å; S101-N105 PolarHBondContact O-ND2 3.43Å; S101-N105 VanDerWaalsContact O-ND2 3.1Å; S101-N105 PolarHBondContact O-OD1 3.03Å; Q102-N105 PolarHBondContact O-N 3.45Å; Y103-N105 VanDerWaalsContact C-N 3.25Å; Y103-N105 PolarHBondContact O-N 3.37Å; N105-F107 PolarHBondContact O-N 3.44Å; N105-S108 PolarHBondContact O-N 2.93Å; N105-S109 PolarHBondContact O-N 3.18Å; N105-M814 VanDerWaalsContact C-CG 3.42Å; N105-M814 VanDerWaalsContact C-SD 3.55Å; N105-M814 HydrophobicContact CB-CG 3.38Å; N105-M814 HydrophobicContact CB-SD 3.45Å; N105-M814 WeakPolarHBondContact CB-SD 3.28Å; N105-M814 WeakPolarHBondContact O-CG 3.3Å; N105-M818 PolarHBondContact ND2-SD 3.07Å; N105-M818 VanDerWaalsContact OD1-CE 3.31Å; N105-M818 WeakPolarHBondContact OD1-CE 3.47Å; N105-M818 WeakPolarHBondContact OD1-CG 3.38Å; N105-M818 PolarHBondContact OD1-SD 3.33Å
106H76.5Confident67.4Low27 Ų2744.9 Ų44.913%0.12530%0.299CS..Hα-helixtrans-49-54176.6178.8-96.2000112.3I76 Q102 Y103 S108 M814I76-H106 HydrophobicContact CD1-CB 3.97Å; Q102-H106 VanDerWaalsContact O-CB 3.32Å; Q102-H106 WeakPolarHBondContact O-CB 3.05Å; Q102-H106 PolarHBondContact O-N 3.43Å; Y103-H106 PolarHBondContact O-N 2.87Å; H106-S108 PolarHBondContact O-N 3.43Å; H106-M814 VanDerWaalsContact CA-CE 3.43Å; H106-M814 HydrophobicContact CB-CE 4Å; H106-M814 PolarHBondContact N-SD 2.98Å; H106-M814 VanDerWaalsContact N-SD 3.42Å
107F81.5Confident64.9Low36 Ų3650 Ų5016%0.15833%0.333CS..Hα-helixtrans-85-4.3-175.5-62.4-57.8000115.5W11 I40 L41 H44 L74 Y103 N105W11-F107 HydrophobicContact CH2-CD2 4.43Å; W11-F107 HydrophobicContact CZ2-CB 4.14Å; W11-F107 HydrophobicContact CZ2-CD2 4.44Å; I40-F107 HydrophobicContact CG2-CD2 4.14Å; I40-F107 HydrophobicContact CG2-CE2 4.02Å; L41-F107 HydrophobicContact CD2-CZ 4.48Å; H44-F107 HydrophobicContact CB-CD1 3.49Å; H44-F107 VanDerWaalsContact CB-CD1 3.49Å; H44-F107 HydrophobicContact CB-CE1 3.25Å; H44-F107 HydrophobicContact CB-CE2 4.33Å; H44-F107 HydrophobicContact CB-CG 4.13Å; H44-F107 HydrophobicContact CB-CZ 3.69Å; H44-F107 AromaticContact CD2-CD1 3.68Å; H44-F107 AromaticContact CD2-CD2 3.48Å; H44-F107 VanDerWaalsContact CD2-CD2 3.48Å; H44-F107 WeakPolarHBondContact CD2-CD2 3.43Å; H44-F107 AromaticContact CD2-CE2 3.89Å; H44-F107 AromaticContact CD2-CG 3.35Å; H44-F107 WeakPolarHBondContact CD2-CG 3.44Å; H44-F107 AromaticContact CG-CD1 3.37Å; H44-F107 AromaticContact CG-CE1 3.67Å; H44-F107 AromaticContact CG-CG 3.57Å; H44-F107 AromaticContact ND1-CD1 3.81Å; H44-F107 AromaticContact ND1-CG 3.99Å; H44-F107 WeakPolarHBondContact NE2-CB 3.15Å; H44-F107 AromaticContact NE2-CG 3.71Å; L74-F107 HydrophobicContact CD1-CE1 4.24Å; L74-F107 HydrophobicContact CD1-CE2 4.35Å; L74-F107 HydrophobicContact CD1-CZ 3.53Å; Y103-F107 HydrophobicContact CD1-CE2 4.19Å; Y103-F107 VanDerWaalsContact O-CD2 3.22Å; Y103-F107 WeakPolarHBondContact O-CD2 3.32Å; Y103-F107 PolarHBondContact O-N 2.95Å; Y103-F107 VanDerWaalsContact O-N 3.07Å; N105-F107 PolarHBondContact O-N 3.44Å
108S71.6Confident62.3Low49 Ų4955.8 Ų55.834%0.34337%0.371SS..Hα-helixtrans-94.7-7175.6-63.70000114Y104 N105 H106Y104-S108 VanDerWaalsContact CD2-OG 3.25Å; Y104-S108 WeakPolarHBondContact CD2-OG 3.29Å; Y104-S108 WeakPolarHBondContact CE2-OG 3.29Å; Y104-S108 WeakPolarHBondContact O-CB 3.37Å; Y104-S108 PolarHBondContact O-N 2.94Å; Y104-S108 PolarHBondContact O-OG 3.42Å; N105-S108 PolarHBondContact O-N 2.93Å; H106-S108 PolarHBondContact O-N 3.43Å
109S56.5Low60.1Low24 Ų2467.2 Ų67.217%0.16841%0.413CS..SBendtrans-64.9126.9173.4-85.80000111.3N105 G111N105-S109 PolarHBondContact O-N 3.18Å; S109-G111 PolarHBondContact O-N 3.13Å
110P47Very low57.6Low115 Ų11577.2 Ų77.275%0.74746%0.457SS*.THydrogen-bonded Turntrans-77.646-177.533.1-36.8000113.1
111G46.9Very low54.8Low56 Ų5680.6 Ų80.658%0.57749%0.492SS*.THydrogen-bonded Turntrans-102.2-42.7176.700000114S109S109-G111 PolarHBondContact O-N 3.13Å
112Q44.9Very low52.3Low123 Ų12388.8 Ų88.858%0.57553%0.534SS*.SBendtrans-106.412.4-175.8-62.4-171.931.600114.1G114Q112-G114 PolarHBondContact O-N 2.87Å
113A37.3Very low50Low96 Ų9692 Ų9279%0.79356%0.564SS**  trans-76.153.2179.500000113.5
114G37.6Very low48Very low72 Ų7297.7 Ų97.774%0.74260%0.602SS**  trans-95.5-7.5-171.400000116.6Q112Q112-G114 PolarHBondContact O-N 2.87Å
115V33.1Very low45.1Very low137 Ų137102.1 Ų102.183%0.8364%0.636SS**  trans-127119.1-176.1-1740000111.2
116S33.7Very low42.8Very low105 Ų105106.5 Ų106.573%0.73467%0.668SS**  trans-82.9139.3170.1-62.20000110.6
117P38Very low41.6Very low110 Ų110110.8 Ų110.871%0.71470%0.699SS**  trans-64.3138.2174.327-34.1000110.9R119P117-R119 PolarHBondContact O-N 3.36Å
118P32.1Very low39.4Very low129 Ų129114.8 Ų114.884%0.83873%0.728SS**  trans-73.793.1-175.129.2-35000111.7K120P118-K120 PolarHBondContact O-N 2.9Å; P118-K120 VanDerWaalsContact O-N 3.07Å
119R38.6Very low37.3Very low247 Ų247117.4 Ų117.493%0.93275%0.746SS**  trans-61.1109.6166.1-84.5-173.1165-138.8-3.4110.5P117P117-R119 PolarHBondContact O-N 3.36Å
120K35.2Very low35.9Very low210 Ų210123.4 Ų123.491%0.91378%0.781SS**  trans-125.3130.9154.3-79-174.9177.8176.80109.3P118P118-K120 PolarHBondContact O-N 2.9Å; P118-K120 VanDerWaalsContact O-N 3.07Å
121G30.1Very low34.9Very low72 Ų72122 Ų12274%0.74278%0.78SS**  trans-156.2120.2170.100000108.9
122L31.7Very low34.5Very low181 Ų181124.8 Ų124.895%0.94879%0.788SS**  trans-165.9125.9164.5-104.6156.6000106.6
123A33Very low33.4Very low89 Ų89124.2 Ų124.274%0.73679%0.793SS**  trans-109.7-161-179.200000108.3
124P44.8Very low32.7Very low120 Ų120125.2 Ų125.278%0.77979%0.794SS**  cis-135175.1-1141.4-25.6000114.7
125C21.5Very low32.2Very low127 Ų127126.2 Ų126.286%0.85880%0.795SS**  trans-161141.3151.8-132.70000114.2
126S28.1Very low31.9Very low112 Ų112127.8 Ų127.878%0.78379%0.794SS**  trans177.4165176.8-72.90000109
127P50.4Low32.2Very low117 Ų117128.6 Ų128.676%0.7680%0.796SS**  cis-112.6-142.3-24.139.9-21.5000109.1
128P36.4Very low31.6Very low120 Ų120131.8 Ų131.878%0.77980%0.802SS**  cis-109.7158.53119.23.2000113.5
129S26.7Very low31.3Very low104 Ų104133.2 Ų133.273%0.72780%0.802SS**  cis84.697.833.7-163.70000115.4
130V27.2Very low30.9Very low149 Ų149127 Ų12790%0.90379%0.791SS**  trans-144.7138.7159.6-173.40000109.4
131A26.3Very low30.6Very low86 Ų86121.2 Ų121.271%0.71178%0.783SS**  trans-158.1177.8174.500000107
132P37Very low30.5Very low114 Ų114126.7 Ų126.774%0.7479%0.789SS**  cis-118.8-141.72.727.9-1.7000110.5
133T22.3Very low30.2Very low112 Ų112121.5 Ų121.569%0.68778%0.779SS**  cis-165.2152.813.4-19.10000111.6
134S23.6Very low30Very low117 Ų117127 Ų12782%0.81879%0.79SS**  trans69.3154.1155.2-50.70000117.5
135A25.6Very low29.2Very low93 Ų93129.2 Ų129.277%0.76979%0.79SS**  cis-147.7161.5-100000111.6
136E27.1Very low29.5Very low170 Ų170130 Ų13079%0.79479%0.785SS**  trans-83.6165.3158.9-67.5-81113.100110.1
137P39.8Very low29.2Very low121 Ų121130.4 Ų130.479%0.78679%0.787SS**  -144.3144.391.237.3-21000117.6
138E27.1Very low28.4Very low178 Ų178130.7 Ų130.783%0.83279%0.792SS**  trans-13.8148.8153.8-51.6175.4116.500121
139D25.3Very low27.8Very low159 Ų159128.6 Ų128.685%0.8579%0.793SS**  trans-147.9171.4130.8-156.86.5000111.9
140V29.3Very low27.9Very low116 Ų116129 Ų12970%0.70380%0.796SS**  trans-105.7129.3-140.21660000117.6
141A29.3Very low27.8Very low88 Ų88129.3 Ų129.373%0.72779%0.791SS**  trans50.8175.6141.600000120.3
142Q28.4Very low28.3Very low187 Ų187130.2 Ų130.287%0.87479%0.792SS**  cis-131.7163.48.3-61172.7-13.300110
143G25.7Very low27.9Very low73 Ų73134 Ų13475%0.75380%0.8SS**  79.5130.491.600000112.4
144E28.9Very low28.4Very low205 Ų205137 Ų13796%0.95881%0.807SS**  cis-142.2-167.618.8-60.8-171.397.100113.2
145E27.1Very low28.7Very low166 Ų166136.2 Ų136.278%0.77681%0.807SS**  trans-109.1155.9-166.1-92.5-110.495.800116
146L28.7Very low28.9Very low143 Ų143137.2 Ų137.275%0.74980%0.804SS**  trans48.8123.4150-64.4170.2000121.8
147S21.9Very low29.4Very low120 Ų120132.5 Ų132.584%0.83980%0.801SS**  -156.8140.7124.3-166.30000112.8
148S31.8Very low29.2Very low124 Ų124134.8 Ų134.887%0.86780%0.801SS**  trans-92.6113.3172.6-70.20000110.6
149G23.9Very low29.9Very low76 Ų76130.5 Ų130.578%0.78479%0.787SS**  trans-127.6114.617500000111.9
150S28.5Very low30.9Very low113 Ų113123.8 Ų123.879%0.7975%0.752SS**  trans-85.6133.8164.6177.80000109.2
151L26.7Very low32.3Very low154 Ų154121.2 Ų121.281%0.80674%0.739SS**  -180118.5128.2-97.7167000112.8
152S36.8Very low34.3Very low105 Ų105117.1 Ų117.173%0.73471%0.705SS**  trans45.878.5133.8-175.20000119.7
153E28.2Very low36.9Very low195 Ų195111.6 Ų111.691%0.91168%0.684SS**  trans-103.285.5152.2-74.2-159.79800111.7A155E153-A155 PolarHBondContact O-N 3.45Å
154Q32.5Very low39.8Very low175 Ų175108.1 Ų108.182%0.81865%0.649SS**  trans5.283.8144.7-162.8163.113.700116.8T156Q154-T156 PolarHBondContact O-N 3.29Å
155A30Very low42.5Very low100 Ų100100.6 Ų100.683%0.82662%0.621SS**  trans-61.9102.5168.400000110.2E153 G157E153-A155 PolarHBondContact O-N 3.45Å; A155-G157 PolarHBondContact O-N 2.89Å
156T30.2Very low45.3Very low114 Ų11494 Ų9470%0.69960%0.596SS**  trans-69.796.9173.735.10000109Q154 Q158Q154-T156 PolarHBondContact O-N 3.29Å; T156-Q158 VanDerWaalsContact C-N 3.3Å; T156-Q158 PolarHBondContact O-N 3.19Å
157G36.9Very low48.1Very low71 Ų7189.5 Ų89.573%0.73258%0.575SS**  trans-63.984.6-17900000112.6A155 T159A155-G157 PolarHBondContact O-N 2.89Å; G157-T159 VanDerWaalsContact C-N 3.34Å; G157-T159 PolarHBondContact O-N 2.76Å; G157-T159 VanDerWaalsContact O-N 3.12Å
158Q36.3Very low51.2Low168 Ų16891.4 Ų91.479%0.78557%0.571SS**  trans-72.396.9158.7-63.9-175.416.100106.5T156T156-Q158 VanDerWaalsContact C-N 3.3Å; T156-Q158 PolarHBondContact O-N 3.19Å
159T41.7Very low53.8Low88 Ų8891.8 Ų91.854%0.5456%0.559SS.*  trans-58.8160.5170.943.60000110.8G157G157-T159 VanDerWaalsContact C-N 3.34Å; G157-T159 PolarHBondContact O-N 2.76Å; G157-T159 VanDerWaalsContact O-N 3.12Å
160P45.4Very low56.7Low19 Ų1991.2 Ų91.212%0.12354%0.536CS..  trans-59.7-179.4170.918.6-24.4000111.9D84 M88 S162D84-P160 HydrophobicContact CB-CB 3.81Å; D84-P160 WeakPolarHBondContact OD1-CB 3.33Å; D84-P160 WeakPolarHBondContact OD2-CB 3.46Å; M88-P160 HydrophobicContact CE-CB 3.77Å; M88-P160 HydrophobicContact CE-CG 3.83Å; M88-P160 HydrophobicContact CG-CB 4.43Å; M88-P160 HydrophobicContact SD-CB 3.82Å; M88-P160 WeakPolarHBondContact SD-CD 3.19Å; M88-P160 HydrophobicContact SD-CG 4.02Å; P160-S162 PolarHBondContact O-N 2.79Å; P160-S162 PolarHBondContact O-OG 3.2Å
161S60.4Low59.4Low62 Ų6285.8 Ų85.843%0.43450%0.498SS..SBendtrans-71.936.6170.169.30000113.1D84 T163D84-S161 WeakPolarHBondContact OD1-CA 3.49Å; D84-S161 WeakPolarHBondContact OD1-CB 3.36Å; D84-S161 PolarHBondContact OD1-N 3.34Å; D84-S161 PolarHBondContact OD1-OG 2.73Å; S161-T163 PolarHBondContact O-N 2.98Å
162S69.8Low62.3Low2 Ų280 Ų801%0.01447%0.466CS..  trans-70.553.1171.554.70000112P160 H170 V171P160-S162 PolarHBondContact O-N 2.79Å; P160-S162 PolarHBondContact O-OG 3.2Å; S162-H170 CarbonylContact O-C 3.35Å; S162-H170 VanDerWaalsContact O-CA 3.3Å; S162-H170 WeakPolarHBondContact O-CA 3.48Å; S162-H170 PolarHBondContact OG-CD2 2.92Å; S162-H170 PolarHBondContact OG-NE2 3.29Å; S162-V171 PolarHBondContact O-N 2.77Å
163T84.4Confident64.5Low71 Ų7176.1 Ų76.144%0.43644%0.437SS..BIsolated β-bridgetrans-121.6121.9-177.6-64.80000107.8S161 A165 Q168 Q169S161-T163 PolarHBondContact O-N 2.98Å; T163-A165 PolarHBondContact O-N 2.85Å; T163-Q168 HydrophobicContact CG2-CB 4.46Å; T163-Q169 WeakPolarHBondContact CA-O 3.48Å
164C86.9Confident67.1Low0 Ų067 Ų670%040%0.395CS..  trans-63.1121.7-177.6172.80000110.6A166 C167 Q168 Q169 V171 L183 H185 C188C164-A166 PolarHBondContact O-N 3.37Å; C164-C167 WeakPolarHBondContact CB-SG 3.48Å; C164-C167 PolarHBondContact O-N 3.43Å; C164-Q168 VanDerWaalsContact O-CA 3.29Å; C164-Q168 WeakPolarHBondContact O-CA 3.24Å; C164-Q168 PolarHBondContact O-N 3.4Å; C164-Q169 PolarHBondContact N-O 3.46Å; C164-V171 HydrophobicContact CB-CG2 3.63Å; C164-L183 CarbonylContact C-O 3.49Å; C164-L183 WeakPolarHBondContact CA-O 3.34Å; C164-H185 VanDerWaalsContact CB-ND1 3.29Å; C164-H185 WeakPolarHBondContact CB-ND1 3.46Å; C164-C188 VanDerWaalsContact SG-CB 3.52Å
165A85.4Confident69.7Low46 Ų4660 Ų6038%0.3836%0.362SS..THydrogen-bonded Turntrans-67.3-4.2-17700000114.2T163 R182 L183 Y184T163-A165 PolarHBondContact O-N 2.85Å; A165-R182 HydrophobicContact CB-CB 4.26Å; A165-L183 PolarHBondContact N-O 2.82Å; A165-Y184 HydrophobicContact CB-CD1 4.36Å; A165-Y184 HydrophobicContact CB-CE1 3.68Å
166A85.3Confident72.2Confident29 Ų2957 Ų5724%0.2433%0.33CS..THydrogen-bonded Turntrans-103.1-47.7172.200000113.6C164 Y184 C188 G210 F212C164-A166 PolarHBondContact O-N 3.37Å; A166-Y184 HydrophobicContact CB-CD1 4Å; A166-Y184 HydrophobicContact CB-CE1 4.1Å; A166-C188 HydrophobicContact CB-CB 4.11Å; A166-G210 WeakPolarHBondContact CB-O 3.4Å; A166-F212 HydrophobicContact CB-CE2 4.41Å
167C87.6Confident74.5Confident47 Ų4753.6 Ų53.632%0.31830%0.304SS..THydrogen-bonded Turntrans-103.5-6.1-17576.70000114.9C164 Q169 H185 C188C164-C167 WeakPolarHBondContact CB-SG 3.48Å; C164-C167 PolarHBondContact O-N 3.43Å; C167-Q169 PolarHBondContact O-N 2.85Å; C167-H185 PolarHBondContact SG-CE1 2.81Å; C167-H185 PolarHBondContact SG-ND1 3.07Å; C167-H185 VanDerWaalsContact SG-ND1 3.36Å; C167-C188 VanDerWaalsContact SG-SG 3.7Å
168Q87.1Confident76.4Confident161 Ų16153.1 Ų53.175%0.75229%0.285SS*.  trans59.423.9179.5-53.2177.918.300114.6T163 C164T163-Q168 HydrophobicContact CG2-CB 4.46Å; C164-Q168 VanDerWaalsContact O-CA 3.29Å; C164-Q168 WeakPolarHBondContact O-CA 3.24Å; C164-Q168 PolarHBondContact O-N 3.4Å
169Q85.7Confident78Confident131 Ų13145.3 Ų45.361%0.61225%0.249SC*.SBendtrans-107.6159.8175.9-61179.611.200112.3T163 C164 C167T163-Q169 WeakPolarHBondContact CA-O 3.48Å; C164-Q169 PolarHBondContact N-O 3.46Å; C167-Q169 PolarHBondContact O-N 2.85Å
170H85.3Confident79.5Confident64 Ų6446.3 Ų46.330%0.29625%0.251SS..BIsolated β-bridgetrans-60.1135.4-179.4-178.1-97.6000113.2S162 H172 H185S162-H170 CarbonylContact O-C 3.35Å; S162-H170 VanDerWaalsContact O-CA 3.3Å; S162-H170 WeakPolarHBondContact O-CA 3.48Å; S162-H170 PolarHBondContact OG-CD2 2.92Å; S162-H170 PolarHBondContact OG-NE2 3.29Å; H170-H172 AromaticContact CE1-CD2 3.92Å; H170-H172 AromaticContact CE1-CE1 3.74Å; H170-H172 AromaticContact CE1-CG 3.94Å; H170-H172 AromaticContact CE1-ND1 3.83Å; H170-H172 AromaticContact CE1-NE2 3.77Å; H170-H172 AromaticContact ND1-CD2 3.34Å; H170-H172 PolarHBondContact ND1-CD2 2.97Å; H170-H172 VanDerWaalsContact ND1-CD2 3.34Å; H170-H172 AromaticContact ND1-CE1 3.54Å; H170-H172 AromaticContact ND1-CG 3.83Å; H170-H172 AromaticContact ND1-ND1 3.93Å; H170-H172 AromaticContact ND1-NE2 3.11Å; H170-H172 PolarHBondContact ND1-NE2 2.99Å; H170-H172 VanDerWaalsContact ND1-NE2 3.11Å; H170-H185 PolarHBondContact O-NE2 3.2Å
171V86.1Confident80.5Confident0 Ų048.4 Ų48.40%028%0.276CS..  trans-111.3104.5-179.7-1700000109.6S162 C164 Q175 R176S162-V171 PolarHBondContact O-N 2.77Å; C164-V171 HydrophobicContact CB-CG2 3.63Å; V171-Q175 HydrophobicContact CG1-CB 4.12Å; V171-R176 HydrophobicContact CG1-CB 4.34Å; V171-R176 HydrophobicContact CG1-CG 3.85Å
172H85.7Confident81.3Confident31 Ų3152.8 Ų52.814%0.14428%0.283CS..  trans-65.1155.2175.1-68.5-94.5000111.2H170 V174 Q175 R176 V702 E705H170-H172 AromaticContact CE1-CD2 3.92Å; H170-H172 AromaticContact CE1-CE1 3.74Å; H170-H172 AromaticContact CE1-CG 3.94Å; H170-H172 AromaticContact CE1-ND1 3.83Å; H170-H172 AromaticContact CE1-NE2 3.77Å; H170-H172 AromaticContact ND1-CD2 3.34Å; H170-H172 PolarHBondContact ND1-CD2 2.97Å; H170-H172 VanDerWaalsContact ND1-CD2 3.34Å; H170-H172 AromaticContact ND1-CE1 3.54Å; H170-H172 AromaticContact ND1-CG 3.83Å; H170-H172 AromaticContact ND1-ND1 3.93Å; H170-H172 AromaticContact ND1-NE2 3.11Å; H170-H172 PolarHBondContact ND1-NE2 2.99Å; H170-H172 VanDerWaalsContact ND1-NE2 3.11Å; H172-V174 VanDerWaalsContact C-N 3.25Å; H172-V174 HydrophobicContact CB-CG1 4.48Å; H172-V174 PolarHBondContact O-N 3.09Å; H172-Q175 HydrophobicContact CB-CG 4.23Å; H172-Q175 PolarHBondContact CD2-OE1 2.75Å; H172-Q175 WeakPolarHBondContact O-CA 3.46Å; H172-Q175 WeakPolarHBondContact O-CB 3.44Å; H172-Q175 PolarHBondContact O-N 2.67Å; H172-R176 PolarHBondContact O-N 2.88Å; H172-R176 VanDerWaalsContact O-N 3.17Å; H172-V702 HydrophobicContact CB-CG2 3.82Å; H172-E705 WeakPolarHBondContact CB-OE2 3.4Å; H172-E705 IonicContact CG-OE2 3.39Å; H172-E705 IonicContact ND1-OE1 3.19Å; H172-E705 IonicContact ND1-OE2 3.33Å
173L83.4Confident81.8Confident24 Ų2453.2 Ų53.213%0.12629%0.285CS..G310 helixtrans-55.2-42.3-173.1-86.649.6000111.8L94 Q175 R176 E705 W724L94-L173 HydrophobicContact CD2-CD2 4.4Å; L94-L173 HydrophobicContact CG-CD2 4.01Å; L173-Q175 PolarHBondContact O-N 3.07Å; L173-R176 PolarHBondContact O-N 2.88Å; L173-E705 PolarHBondContact N-OE2 3.12Å; L173-W724 HydrophobicContact CB-CH2 3.81Å; L173-W724 HydrophobicContact CB-CZ2 3.78Å; L173-W724 HydrophobicContact CD2-CZ2 3.96Å
174V83.6Confident81.8Confident3 Ų350.4 Ų50.42%0.01827%0.267CS..G310 helixtrans-65.8-22.9177.671.40000113.4H172 E698 V702 W724 L727 I728 K731H172-V174 VanDerWaalsContact C-N 3.25Å; H172-V174 HydrophobicContact CB-CG1 4.48Å; H172-V174 PolarHBondContact O-N 3.09Å; V174-E698 HydrophobicContact CG1-CB 4.5Å; V174-E698 WeakPolarHBondContact CG1-O 3.41Å; V174-E698 HydrophobicContact CG2-CG 4.21Å; V174-V702 HydrophobicContact CG1-CG2 4.26Å; V174-W724 HydrophobicContact CB-CH2 4.2Å; V174-W724 HydrophobicContact CB-CZ3 4.42Å; V174-L727 HydrophobicContact CG2-CD2 3.63Å; V174-I728 HydrophobicContact CG2-CD1 4.41Å; V174-K731 HydrophobicContact CG2-CD 4.4Å; V174-K731 PolarHBondContact O-NZ 3.06Å
175Q85.9Confident81.8Confident28 Ų2851.3 Ų51.313%0.13127%0.271CS..G310 helixtrans-98.1-7.7-176.8-59.3-177.3-57.600113.5V171 H172 L173 Y177 E698 V702V171-Q175 HydrophobicContact CG1-CB 4.12Å; H172-Q175 HydrophobicContact CB-CG 4.23Å; H172-Q175 PolarHBondContact CD2-OE1 2.75Å; H172-Q175 WeakPolarHBondContact O-CA 3.46Å; H172-Q175 WeakPolarHBondContact O-CB 3.44Å; H172-Q175 PolarHBondContact O-N 2.67Å; L173-Q175 PolarHBondContact O-N 3.07Å; Q175-Y177 PolarHBondContact O-N 3.47Å; Q175-E698 HydrophobicContact CG-CB 4.16Å; Q175-E698 HydrophobicContact CG-CG 4.32Å; Q175-V702 HydrophobicContact CG-CG2 4.03Å
176R84.1Confident81.8Confident38 Ų3849.6 Ų49.614%0.14326%0.255CS..EExtended strand (participates in β ladder)trans-60128.9-177.6-70.7-177.3177.9-160.5-10110.5L79 V171 H172 L173 L183L79-R176 PolarHBondContact O-NH1 3.03Å; V171-R176 HydrophobicContact CG1-CB 4.34Å; V171-R176 HydrophobicContact CG1-CG 3.85Å; H172-R176 PolarHBondContact O-N 2.88Å; H172-R176 VanDerWaalsContact O-N 3.17Å; L173-R176 PolarHBondContact O-N 2.88Å; R176-L183 HydrophobicContact CB-CD2 4.06Å; R176-L183 HydrophobicContact CG-CD2 3.98Å
177Y78.1Confident81.7Confident43 Ų4351.9 Ų51.917%0.16926%0.26CS..EExtended strand (participates in β ladder)trans-130.8125167.7-177.4-79.9000106.9Q175 A179 Y184 F189 L198 P200Q175-Y177 PolarHBondContact O-N 3.47Å; Y177-A179 HydrophobicContact CE1-CB 3.95Å; Y177-Y184 PolarHBondContact N-O 3.11Å; Y177-Y184 PolarHBondContact O-N 3.39Å; Y177-F189 HydrophobicContact CD1-CB 3.92Å; Y177-F189 AromaticContact CD1-CD1 3.86Å; Y177-F189 HydrophobicContact CD1-CD1 3.86Å; Y177-F189 AromaticContact CD1-CG 3.85Å; Y177-F189 HydrophobicContact CD1-CG 3.85Å; Y177-F189 HydrophobicContact CE1-CB 4.06Å; Y177-F189 AromaticContact CE1-CD1 3.11Å; Y177-F189 HydrophobicContact CE1-CD1 3.11Å; Y177-F189 HydrophobicContact CE1-CD2 4.3Å; Y177-F189 AromaticContact CE1-CE1 3.49Å; Y177-F189 HydrophobicContact CE1-CE1 3.49Å; Y177-F189 VanDerWaalsContact CE1-CE1 3.49Å; Y177-F189 AromaticContact CE1-CG 3.57Å; Y177-F189 HydrophobicContact CE1-CG 3.57Å; Y177-F189 HydrophobicContact CE1-CZ 4.22Å; Y177-F189 AromaticContact CZ-CD1 3.51Å; Y177-F189 AromaticContact CZ-CE1 3.86Å; Y177-F189 WeakPolarHBondContact OH-CE1 3.14Å; Y177-L198 PolarHBondContact OH-O 2.93Å; Y177-P200 WeakPolarHBondContact OH-CD 3.28Å
178L75.8Confident81.7Confident61 Ų6151.3 Ų51.332%0.31926%0.256SS..EExtended strand (participates in β ladder)trans-104.5130.9178.8-78.8167.2000109.7A78 R182 L183A78-L178 WeakPolarHBondContact O-CD1 3.25Å; L178-R182 WeakPolarHBondContact CA-O 3.3Å; L178-L183 HydrophobicContact CD2-CD2 3.48Å; L178-L183 VanDerWaalsContact CD2-CD2 3.48Å; L178-L183 HydrophobicContact CD2-CG 3.73Å; L178-L183 HydrophobicContact CG-CD2 3.8Å
179A71.3Confident81.7Confident4 Ų443.6 Ų43.63%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-142.4136.516500000109Y177 G181 R182 Y184 F189Y177-A179 HydrophobicContact CE1-CB 3.95Å; A179-G181 PolarHBondContact O-N 2.74Å; A179-G181 VanDerWaalsContact O-N 3.12Å; A179-R182 PolarHBondContact N-O 3.24Å; A179-R182 VanDerWaalsContact N-O 3.07Å; A179-R182 PolarHBondContact O-N 3Å; A179-Y184 HydrophobicContact CB-CE2 4.35Å; A179-F189 HydrophobicContact CB-CD2 4.49Å; A179-F189 HydrophobicContact CB-CE1 4.06Å; A179-F189 HydrophobicContact CB-CE2 3.73Å; A179-F189 HydrophobicContact CB-CZ 3.46Å; A179-F189 VanDerWaalsContact CB-CZ 3.46Å
180D71.7Confident81.7Confident108 Ų10839.4 Ų39.458%0.57820%0.199SC*.THydrogen-bonded Turntrans48.743173-48.3-40.8000114R182 Y203D180-R182 VanDerWaalsContact C-N 3.34Å; D180-R182 PolarHBondContact O-N 2.88Å; D180-Y203 WeakPolarHBondContact OD2-CE1 3.2Å; D180-Y203 VanDerWaalsContact OD2-CZ 3.31Å; D180-Y203 PolarHBondContact OD2-OH 3.19Å
181G67.9Low81.6Confident64 Ų6436.5 Ų36.566%0.6619%0.186SC*.THydrogen-bonded Turntrans70.223.9-179.300000114.6A179A179-G181 PolarHBondContact O-N 2.74Å; A179-G181 VanDerWaalsContact O-N 3.12Å
182R75.9Confident81.6Confident153 Ų15342.5 Ų42.558%0.57721%0.208SC*.EExtended strand (participates in β ladder)trans-134.4142.7-178.9-60.6-177.3-174.5-151.41.5112.4A165 L178 A179 D180 Y184A165-R182 HydrophobicContact CB-CB 4.26Å; L178-R182 WeakPolarHBondContact CA-O 3.3Å; A179-R182 PolarHBondContact N-O 3.24Å; A179-R182 VanDerWaalsContact N-O 3.07Å; A179-R182 PolarHBondContact O-N 3Å; D180-R182 VanDerWaalsContact C-N 3.34Å; D180-R182 PolarHBondContact O-N 2.88Å; R182-Y184 HydrophobicContact CB-CE2 3.69Å; R182-Y184 WeakPolarHBondContact O-CD2 3.47Å
183L80.9Confident81.3Confident11 Ų1146.6 Ų46.66%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-86.3138.3176.4-78169.7000112.5C164 A165 R176 L178C164-L183 CarbonylContact C-O 3.49Å; C164-L183 WeakPolarHBondContact CA-O 3.34Å; A165-L183 PolarHBondContact N-O 2.82Å; R176-L183 HydrophobicContact CB-CD2 4.06Å; R176-L183 HydrophobicContact CG-CD2 3.98Å; L178-L183 HydrophobicContact CD2-CD2 3.48Å; L178-L183 VanDerWaalsContact CD2-CD2 3.48Å; L178-L183 HydrophobicContact CD2-CG 3.73Å; L178-L183 HydrophobicContact CG-CD2 3.8Å
184Y84.4Confident81.2Confident12 Ų1248 Ų485%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-136.5160.6173.6-59.6-83.2000110.7A165 A166 Y177 A179 R182 F189 F212A165-Y184 HydrophobicContact CB-CD1 4.36Å; A165-Y184 HydrophobicContact CB-CE1 3.68Å; A166-Y184 HydrophobicContact CB-CD1 4Å; A166-Y184 HydrophobicContact CB-CE1 4.1Å; Y177-Y184 PolarHBondContact N-O 3.11Å; Y177-Y184 PolarHBondContact O-N 3.39Å; A179-Y184 HydrophobicContact CB-CE2 4.35Å; R182-Y184 HydrophobicContact CB-CE2 3.69Å; R182-Y184 WeakPolarHBondContact O-CD2 3.47Å; Y184-F189 HydrophobicContact CD1-CD2 4.15Å; Y184-F189 AromaticContact CD2-CD2 3.64Å; Y184-F189 HydrophobicContact CD2-CD2 3.64Å; Y184-F189 HydrophobicContact CD2-CE2 4.12Å; Y184-F189 HydrophobicContact CD2-CG 4.41Å; Y184-F189 HydrophobicContact CE1-CD2 4.38Å; Y184-F189 AromaticContact CE2-CD2 3.89Å; Y184-F189 HydrophobicContact CE2-CD2 3.89Å; Y184-F189 AromaticContact CE2-CE2 3.96Å; Y184-F189 HydrophobicContact CE2-CE2 3.96Å; Y184-F189 HydrophobicContact CG-CB 4.27Å; Y184-F189 AromaticContact CG-CD2 3.79Å; Y184-F189 HydrophobicContact CG-CD2 3.79Å; Y184-F189 HydrophobicContact CG-CG 4.41Å; Y184-F212 HydrophobicContact CD1-CE2 4.31Å; Y184-F212 HydrophobicContact CD1-CZ 4.29Å; Y184-F212 AromaticContact CE1-CE2 3.98Å; Y184-F212 HydrophobicContact CE1-CE2 3.98Å; Y184-F212 AromaticContact CE1-CZ 3.54Å; Y184-F212 HydrophobicContact CE1-CZ 3.54Å; Y184-F212 AromaticContact CZ-CZ 3.77Å
185H86.8Confident80.9Confident19 Ų1951.5 Ų51.59%0.08826%0.258CS..EExtended strand (participates in β ladder)trans-78.1147.4155.2-54.198.4000109.4C164 C167 H170 H187 C188 F189C164-H185 VanDerWaalsContact CB-ND1 3.29Å; C164-H185 WeakPolarHBondContact CB-ND1 3.46Å; C167-H185 PolarHBondContact SG-CE1 2.81Å; C167-H185 PolarHBondContact SG-ND1 3.07Å; C167-H185 VanDerWaalsContact SG-ND1 3.36Å; H170-H185 PolarHBondContact O-NE2 3.2Å; H185-H187 PolarHBondContact O-N 3.09Å; H185-H187 VanDerWaalsContact O-N 3.09Å; H185-C188 HydrophobicContact CB-CB 4.24Å; H185-C188 WeakPolarHBondContact O-CB 3.23Å; H185-C188 PolarHBondContact O-N 3.34Å; H185-F189 PolarHBondContact O-N 2.65Å; H185-F189 VanDerWaalsContact O-N 3.11Å
186R85.6Confident80.1Confident11 Ų1153 Ų534%0.04227%0.272CS..THydrogen-bonded Turntrans-49.2-37.6174.2-161.9-177.779.587.3-0.1113.3R190 T197 E691 D695 E698R186-R190 VanDerWaalsContact NH2-NH2 3.14Å; R186-T197 HydrophobicContact CG-CG2 3.99Å; R186-T197 PolarHBondContact NH1-OG1 3.27Å; R186-E691 IonicContact NH1-OE1 3.99Å; R186-E691 PolarHBondContact NH1-OE1 3.01Å; R186-E691 PolarHBondContact NH2-O 3.09Å; R186-D695 IonicContact CZ-OD1 3.43Å; R186-D695 IonicContact NE-OD1 2.71Å; R186-D695 IonicContact NH2-OD1 2.86Å; R186-D695 PolarHBondContact NH2-OD1 3.3Å; R186-E698 IonicContact NE-OE1 3.92Å; R186-E698 IonicContact NE-OE2 3.28Å
187H83.4Confident79.7Confident76 Ų7652.9 Ų52.935%0.35228%0.275SS..THydrogen-bonded Turntrans-80-19.2178-5476.9000115.2H185 R190 D695 E698H185-H187 PolarHBondContact O-N 3.09Å; H185-H187 VanDerWaalsContact O-N 3.09Å; H187-R190 WeakPolarHBondContact O-CD 3.18Å; H187-D695 IonicContact CE1-OD1 3.74Å; H187-D695 PolarHBondContact CE1-OD1 3.17Å; H187-D695 IonicContact CE1-OD2 2.76Å; H187-D695 IonicContact NE2-OD1 2.74Å; H187-D695 PolarHBondContact NE2-OD1 3.25Å; H187-D695 IonicContact NE2-OD2 3.4Å; H187-D695 PolarHBondContact NE2-OD2 3.32Å; H187-E698 IonicContact CE1-OE2 2.74Å; H187-E698 PolarHBondContact CE1-OE2 3.09Å; H187-E698 IonicContact ND1-OE2 3.48Å
188C87.1Confident79.7Confident35 Ų3551.1 Ų51.124%0.23627%0.269CS..THydrogen-bonded Turntrans-82.9-30.7174.3-69.30000111.6C164 A166 C167 H185 R190C164-C188 VanDerWaalsContact SG-CB 3.52Å; A166-C188 HydrophobicContact CB-CB 4.11Å; C167-C188 VanDerWaalsContact SG-SG 3.7Å; H185-C188 HydrophobicContact CB-CB 4.24Å; H185-C188 WeakPolarHBondContact O-CB 3.23Å; H185-C188 PolarHBondContact O-N 3.34Å; C188-R190 PolarHBondContact O-N 3.27Å; C188-R190 VanDerWaalsContact O-N 3.09Å
189F86.5Confident79.2Confident0 Ų052.8 Ų52.80%028%0.277CS..SBendtrans-87.155.4175.8-154.7-102000112.2Y177 A179 Y184 H185 L198 Y203 F212Y177-F189 HydrophobicContact CD1-CB 3.92Å; Y177-F189 AromaticContact CD1-CD1 3.86Å; Y177-F189 HydrophobicContact CD1-CD1 3.86Å; Y177-F189 AromaticContact CD1-CG 3.85Å; Y177-F189 HydrophobicContact CD1-CG 3.85Å; Y177-F189 HydrophobicContact CE1-CB 4.06Å; Y177-F189 AromaticContact CE1-CD1 3.11Å; Y177-F189 HydrophobicContact CE1-CD1 3.11Å; Y177-F189 HydrophobicContact CE1-CD2 4.3Å; Y177-F189 AromaticContact CE1-CE1 3.49Å; Y177-F189 HydrophobicContact CE1-CE1 3.49Å; Y177-F189 VanDerWaalsContact CE1-CE1 3.49Å; Y177-F189 AromaticContact CE1-CG 3.57Å; Y177-F189 HydrophobicContact CE1-CG 3.57Å; Y177-F189 HydrophobicContact CE1-CZ 4.22Å; Y177-F189 AromaticContact CZ-CD1 3.51Å; Y177-F189 AromaticContact CZ-CE1 3.86Å; Y177-F189 WeakPolarHBondContact OH-CE1 3.14Å; A179-F189 HydrophobicContact CB-CD2 4.49Å; A179-F189 HydrophobicContact CB-CE1 4.06Å; A179-F189 HydrophobicContact CB-CE2 3.73Å; A179-F189 HydrophobicContact CB-CZ 3.46Å; A179-F189 VanDerWaalsContact CB-CZ 3.46Å; Y184-F189 HydrophobicContact CD1-CD2 4.15Å; Y184-F189 AromaticContact CD2-CD2 3.64Å; Y184-F189 HydrophobicContact CD2-CD2 3.64Å; Y184-F189 HydrophobicContact CD2-CE2 4.12Å; Y184-F189 HydrophobicContact CD2-CG 4.41Å; Y184-F189 HydrophobicContact CE1-CD2 4.38Å; Y184-F189 AromaticContact CE2-CD2 3.89Å; Y184-F189 HydrophobicContact CE2-CD2 3.89Å; Y184-F189 AromaticContact CE2-CE2 3.96Å; Y184-F189 HydrophobicContact CE2-CE2 3.96Å; Y184-F189 HydrophobicContact CG-CB 4.27Å; Y184-F189 AromaticContact CG-CD2 3.79Å; Y184-F189 HydrophobicContact CG-CD2 3.79Å; Y184-F189 HydrophobicContact CG-CG 4.41Å; H185-F189 PolarHBondContact O-N 2.65Å; H185-F189 VanDerWaalsContact O-N 3.11Å; F189-L198 HydrophobicContact CD1-CB 3.62Å; F189-L198 HydrophobicContact CE1-CB 3.51Å; F189-L198 HydrophobicContact CZ-CB 4.43Å; F189-L198 PolarHBondContact O-N 3.42Å; F189-Y203 HydrophobicContact CE1-CD1 4.44Å; F189-Y203 HydrophobicContact CE1-CE1 4.45Å; F189-Y203 HydrophobicContact CE2-CE1 4.39Å; F189-Y203 HydrophobicContact CE2-CE2 4.11Å; F189-Y203 AromaticContact CE2-CZ 3.95Å; F189-Y203 AromaticContact CZ-CD1 3.91Å; F189-Y203 HydrophobicContact CZ-CD1 3.91Å; F189-Y203 HydrophobicContact CZ-CD2 4.29Å; F189-Y203 AromaticContact CZ-CE1 3.57Å; F189-Y203 HydrophobicContact CZ-CE1 3.57Å; F189-Y203 AromaticContact CZ-CE2 3.96Å; F189-Y203 HydrophobicContact CZ-CE2 3.96Å; F189-Y203 HydrophobicContact CZ-CG 4.26Å; F189-Y203 AromaticContact CZ-CZ 3.58Å; F189-F212 HydrophobicContact CD2-CD2 4.09Å; F189-F212 HydrophobicContact CD2-CE1 4.42Å; F189-F212 AromaticContact CD2-CE2 3.72Å; F189-F212 HydrophobicContact CD2-CE2 3.72Å; F189-F212 AromaticContact CD2-CZ 3.9Å; F189-F212 HydrophobicContact CD2-CZ 3.9Å; F189-F212 HydrophobicContact CE2-CD1 4.33Å; F189-F212 HydrophobicContact CE2-CD2 4.42Å; F189-F212 HydrophobicContact CE2-CE1 4.02Å; F189-F212 HydrophobicContact CE2-CE2 4.14Å; F189-F212 AromaticContact CE2-CZ 3.92Å; F189-F212 HydrophobicContact CE2-CZ 3.92Å
190R85.5Confident78.7Confident43 Ų4356 Ų5616%0.16230%0.298CS..BIsolated β-bridgetrans-120.1148.5-178.9-75.8178.5176.1-109.911.5111.6R186 H187 C188 R192 S195 S196 E691R186-R190 VanDerWaalsContact NH2-NH2 3.14Å; H187-R190 WeakPolarHBondContact O-CD 3.18Å; C188-R190 PolarHBondContact O-N 3.27Å; C188-R190 VanDerWaalsContact O-N 3.09Å; R190-R192 PolarHBondContact O-N 2.83Å; R190-S195 VanDerWaalsContact CD-O 3.24Å; R190-S195 WeakPolarHBondContact CD-O 3.36Å; R190-S195 WeakPolarHBondContact CG-O 3.47Å; R190-S195 PolarHBondContact NH1-O 3.45Å; R190-S196 CarbonylContact C-O 3.59Å; R190-S196 VanDerWaalsContact CA-O 3.29Å; R190-S196 WeakPolarHBondContact CA-O 3.48Å; R190-E691 IonicContact CZ-OE1 3.46Å; R190-E691 IonicContact CZ-OE2 3.73Å; R190-E691 VanDerWaalsContact CZ-OE2 3.24Å; R190-E691 IonicContact NH1-OE1 3.82Å; R190-E691 PolarHBondContact NH1-OE1 2.86Å; R190-E691 VanDerWaalsContact NH1-OE1 3.16Å; R190-E691 IonicContact NH1-OE2 2.71Å; R190-E691 PolarHBondContact NH1-OE2 2.82Å; R190-E691 IonicContact NH2-OE1 3.9Å; R190-E691 PolarHBondContact NH2-OE1 3.33Å; R190-E691 VanDerWaalsContact NH2-OE1 3.13Å; R190-E691 IonicContact NH2-OE2 3.93Å; R190-E691 PolarHBondContact NH2-OE2 3.34Å
191C84.9Confident78.1Confident2 Ų254.5 Ų54.51%0.01431%0.308CS..BIsolated β-bridgetrans-63.8125.9174.5-178.50000110.8R193 C194 S195 S196 L198 C214C191-R193 PolarHBondContact O-N 3.21Å; C191-R193 PolarHBondContact SG-N 2.78Å; C191-R193 VanDerWaalsContact SG-N 3.44Å; C191-C194 VanDerWaalsContact CB-SG 3.5Å; C191-S195 WeakPolarHBondContact O-CA 3.26Å; C191-S195 PolarHBondContact O-N 3.25Å; C191-S196 PolarHBondContact N-O 3.27Å; C191-L198 HydrophobicContact CB-CD2 3.93Å; C191-L198 HydrophobicContact CB-CG 4.35Å; C191-C214 HydrophobicContact CB-CB 4.42Å; C191-C214 PolarHBondContact SG-N 2.77Å; C191-C214 VanDerWaalsContact SG-N 3.43Å; C191-C214 VanDerWaalsContact SG-SG 3.66Å
192R84.2Confident78.3Confident126 Ų12653.4 Ų53.448%0.47529%0.293SS..THydrogen-bonded Turntrans-60.2-13.1177.6-163.4178.9-175.5-173.92.4114.4R190 E208 F212R190-R192 PolarHBondContact O-N 2.83Å; R192-E208 IonicContact CZ-OE1 3.46Å; R192-E208 IonicContact CZ-OE2 2.71Å; R192-E208 IonicContact NH1-OE1 3.72Å; R192-E208 PolarHBondContact NH1-OE1 3.45Å; R192-E208 IonicContact NH1-OE2 3.58Å; R192-E208 PolarHBondContact NH1-OE2 3.06Å; R192-E208 IonicContact NH2-OE1 3.75Å; R192-E208 PolarHBondContact NH2-OE1 3.05Å; R192-E208 IonicContact NH2-OE2 3.63Å; R192-E208 PolarHBondContact NH2-OE2 3.34Å; R192-F212 PolarHBondContact N-O 2.87Å
193R81.4Confident78.7Confident118 Ų11847.9 Ų47.945%0.44527%0.272SS..THydrogen-bonded Turntrans-105.2-53.4-176-71.2176.5170.9-170.6-5114.2C191 H217C191-R193 PolarHBondContact O-N 3.21Å; C191-R193 PolarHBondContact SG-N 2.78Å; C191-R193 VanDerWaalsContact SG-N 3.44Å; R193-H217 PolarHBondContact NH1-O 3Å
194C80.2Confident78.7Confident54 Ų5453.1 Ų53.137%0.36530%0.296SS..THydrogen-bonded Turntrans-94.9-7.7176.5460000114.6C191 S196C191-C194 VanDerWaalsContact CB-SG 3.5Å; C194-S196 PolarHBondContact O-N 3.37Å; C194-S196 PolarHBondContact SG-OG 3.36Å
195S77.5Confident78.5Confident76 Ų7658 Ų5853%0.53132%0.323SS..  trans60.64.8-170.9-51.10000115.2R190 C191R190-S195 VanDerWaalsContact CD-O 3.24Å; R190-S195 WeakPolarHBondContact CD-O 3.36Å; R190-S195 WeakPolarHBondContact CG-O 3.47Å; R190-S195 PolarHBondContact NH1-O 3.45Å; C191-S195 WeakPolarHBondContact O-CA 3.26Å; C191-S195 PolarHBondContact O-N 3.25Å
196S69.4Low78Confident60 Ų6057.7 Ų57.742%0.4233%0.326SS..PPolyproline II helixtrans-59.4139.5173.3-48.60000110.9R190 C191 C194 L198R190-S196 CarbonylContact C-O 3.59Å; R190-S196 VanDerWaalsContact CA-O 3.29Å; R190-S196 WeakPolarHBondContact CA-O 3.48Å; C191-S196 PolarHBondContact N-O 3.27Å; C194-S196 PolarHBondContact O-N 3.37Å; C194-S196 PolarHBondContact SG-OG 3.36Å; S196-L198 PolarHBondContact O-N 2.92Å
197T75.7Confident77.2Confident34 Ų3463 Ų6321%0.20936%0.362CS..BIsolated β-bridgetrans-58.9133.4165.9-50.70000108.7R186 E691R186-T197 HydrophobicContact CG-CG2 3.99Å; R186-T197 PolarHBondContact NH1-OG1 3.27Å; T197-E691 PolarHBondContact OG1-OE1 2.97Å
198L77.4Confident77Confident7 Ų764.2 Ų64.24%0.03737%0.368CS..PPolyproline II helixtrans-87159.3-177.6-69.1168.5000111.3Y177 F189 C191 S196 Y203 F212 C214Y177-L198 PolarHBondContact OH-O 2.93Å; F189-L198 HydrophobicContact CD1-CB 3.62Å; F189-L198 HydrophobicContact CE1-CB 3.51Å; F189-L198 HydrophobicContact CZ-CB 4.43Å; F189-L198 PolarHBondContact O-N 3.42Å; C191-L198 HydrophobicContact CB-CD2 3.93Å; C191-L198 HydrophobicContact CB-CG 4.35Å; S196-L198 PolarHBondContact O-N 2.92Å; L198-Y203 HydrophobicContact CD1-CD2 4.36Å; L198-Y203 HydrophobicContact CD1-CG 4.3Å; L198-F212 HydrophobicContact CD1-CB 3.24Å; L198-F212 HydrophobicContact CD1-CG 4.07Å; L198-C214 HydrophobicContact CD2-CB 3.5Å
199L65.2Low76.3Confident95 Ų9572.2 Ų72.250%0.49740%0.401SS..  trans-106.8146.9170-60.7175.8000109A202L199-A202 HydrophobicContact CB-CB 4.13Å; L199-A202 PolarHBondContact O-N 3.33Å
200P61.1Low75.7Confident73 Ų7373.4 Ų73.447%0.47441%0.414SS..THydrogen-bonded Turntrans-58.9142.3176.1-20.434.3000110.6Y177 A202Y177-P200 WeakPolarHBondContact OH-CD 3.28Å; P200-A202 PolarHBondContact O-N 3.09Å; P200-A202 VanDerWaalsContact O-N 3.11Å
201G58.4Low75.5Confident76 Ų7672.6 Ų72.678%0.78441%0.414SS*.THydrogen-bonded Turntrans68.6-2.4-176.800000116.6
202A73.9Confident75.6Confident41 Ų4172.7 Ų72.734%0.33941%0.414SS..SBendtrans-107.624.8179.900000113.4L199 P200 A215L199-A202 HydrophobicContact CB-CB 4.13Å; L199-A202 PolarHBondContact O-N 3.33Å; P200-A202 PolarHBondContact O-N 3.09Å; P200-A202 VanDerWaalsContact O-N 3.11Å; A202-A215 PolarHBondContact O-N 3.26Å
203Y82.6Confident75.7Confident36 Ų3667.3 Ų67.314%0.14140%0.395CS..EExtended strand (participates in β ladder)trans-150.3155.5-168.882.5-78.1000113.1D180 F189 L198 F212 V213D180-Y203 WeakPolarHBondContact OD2-CE1 3.2Å; D180-Y203 VanDerWaalsContact OD2-CZ 3.31Å; D180-Y203 PolarHBondContact OD2-OH 3.19Å; F189-Y203 HydrophobicContact CE1-CD1 4.44Å; F189-Y203 HydrophobicContact CE1-CE1 4.45Å; F189-Y203 HydrophobicContact CE2-CE1 4.39Å; F189-Y203 HydrophobicContact CE2-CE2 4.11Å; F189-Y203 AromaticContact CE2-CZ 3.95Å; F189-Y203 AromaticContact CZ-CD1 3.91Å; F189-Y203 HydrophobicContact CZ-CD1 3.91Å; F189-Y203 HydrophobicContact CZ-CD2 4.29Å; F189-Y203 AromaticContact CZ-CE1 3.57Å; F189-Y203 HydrophobicContact CZ-CE1 3.57Å; F189-Y203 AromaticContact CZ-CE2 3.96Å; F189-Y203 HydrophobicContact CZ-CE2 3.96Å; F189-Y203 HydrophobicContact CZ-CG 4.26Å; F189-Y203 AromaticContact CZ-CZ 3.58Å; L198-Y203 HydrophobicContact CD1-CD2 4.36Å; L198-Y203 HydrophobicContact CD1-CG 4.3Å; Y203-F212 HydrophobicContact CD2-CB 4.12Å; Y203-F212 AromaticContact CD2-CD1 3.64Å; Y203-F212 HydrophobicContact CD2-CD1 3.64Å; Y203-F212 HydrophobicContact CD2-CE1 4.44Å; Y203-F212 HydrophobicContact CD2-CG 4.21Å; Y203-F212 AromaticContact CE2-CD1 3.37Å; Y203-F212 HydrophobicContact CE2-CD1 3.37Å; Y203-F212 AromaticContact CE2-CE1 3.74Å; Y203-F212 HydrophobicContact CE2-CE1 3.74Å; Y203-F212 HydrophobicContact CE2-CG 4.3Å; Y203-V213 CarbonylContact C-O 3.57Å; Y203-V213 WeakPolarHBondContact CA-O 3.26Å; Y203-V213 WeakPolarHBondContact CB-O 3.08Å
204E80.6Confident75.9Confident121 Ų12162.6 Ų62.657%0.56538%0.38SS*.EExtended strand (participates in β ladder)trans-109.4154.5170.8-78-69.7152.800110.8F212 V213 C218E204-F212 WeakPolarHBondContact O-CA 3.29Å; E204-V213 PolarHBondContact N-O 3.05Å; E204-V213 PolarHBondContact O-N 3Å; E204-C218 VanDerWaalsContact CB-SG 3.55Å; E204-C218 HydrophobicContact CG-CB 4.14Å; E204-C218 WeakPolarHBondContact CG-SG 3.18Å
205N81.3Confident75.9Confident114 Ų11462.7 Ų62.761%0.6139%0.385SS*.EExtended strand (participates in β ladder)trans-71.1134.2165.7-64.2123.1000110.4
206G75.4Confident75.9Confident14 Ų1464.1 Ų64.114%0.14438%0.383CS..  trans-75.8170.8174.700000112.7E208 T211G206-E208 PolarHBondContact O-N 2.83Å; G206-T211 WeakPolarHBondContact CA-OG1 3.41Å; G206-T211 PolarHBondContact N-O 3.19Å
207P70Confident76.3Confident123 Ų12363.5 Ų63.580%0.79937%0.373SS*.SBendtrans-70.93.2-178.231.4-38000114.6
208E78.3Confident76.2Confident101 Ų10163.3 Ų63.347%0.47237%0.373SS..SBendtrans-127.9135.8174.2-78.6156.9-123.200108R192 G206 G210 T211R192-E208 IonicContact CZ-OE1 3.46Å; R192-E208 IonicContact CZ-OE2 2.71Å; R192-E208 IonicContact NH1-OE1 3.72Å; R192-E208 PolarHBondContact NH1-OE1 3.45Å; R192-E208 IonicContact NH1-OE2 3.58Å; R192-E208 PolarHBondContact NH1-OE2 3.06Å; R192-E208 IonicContact NH2-OE1 3.75Å; R192-E208 PolarHBondContact NH2-OE1 3.05Å; R192-E208 IonicContact NH2-OE2 3.63Å; R192-E208 PolarHBondContact NH2-OE2 3.34Å; G206-E208 PolarHBondContact O-N 2.83Å; E208-G210 PolarHBondContact O-N 3.42Å; E208-T211 HydrophobicContact CB-CG2 3.81Å; E208-T211 WeakPolarHBondContact O-CB 3.3Å; E208-T211 PolarHBondContact O-N 2.97Å; E208-T211 PolarHBondContact O-OG1 2.7Å
209E72.8Confident75.6Confident202 Ų20267 Ų6794%0.94440%0.404SS*.THydrogen-bonded Turntrans-54136.7178.1-64.9-175.115500111.3T211E209-T211 PolarHBondContact O-N 3.44Å
210G73.3Confident75.4Confident25 Ų2570.9 Ų70.926%0.25841%0.412SS..THydrogen-bonded Turntrans73.84.4-176.400000115.2A166 E208 F212A166-G210 WeakPolarHBondContact CB-O 3.4Å; E208-G210 PolarHBondContact O-N 3.42Å; G210-F212 WeakPolarHBondContact O-CE2 3.39Å
211T81.8Confident75.1Confident27 Ų2772.5 Ų72.517%0.16642%0.417CS..  trans-100.9152.9169.171.70000111.9G206 E208 E209G206-T211 WeakPolarHBondContact CA-OG1 3.41Å; G206-T211 PolarHBondContact N-O 3.19Å; E208-T211 HydrophobicContact CB-CG2 3.81Å; E208-T211 WeakPolarHBondContact O-CB 3.3Å; E208-T211 PolarHBondContact O-N 2.97Å; E208-T211 PolarHBondContact O-OG1 2.7Å; E209-T211 PolarHBondContact O-N 3.44Å
212F86.9Confident74.3Confident3 Ų371 Ų711%0.01340%0.401CS..EExtended strand (participates in β ladder)trans-141.6153.4-171.7-53.2-71.9000112.2A166 Y184 F189 R192 L198 Y203 E204 G210A166-F212 HydrophobicContact CB-CE2 4.41Å; Y184-F212 HydrophobicContact CD1-CE2 4.31Å; Y184-F212 HydrophobicContact CD1-CZ 4.29Å; Y184-F212 AromaticContact CE1-CE2 3.98Å; Y184-F212 HydrophobicContact CE1-CE2 3.98Å; Y184-F212 AromaticContact CE1-CZ 3.54Å; Y184-F212 HydrophobicContact CE1-CZ 3.54Å; Y184-F212 AromaticContact CZ-CZ 3.77Å; F189-F212 HydrophobicContact CD2-CD2 4.09Å; F189-F212 HydrophobicContact CD2-CE1 4.42Å; F189-F212 AromaticContact CD2-CE2 3.72Å; F189-F212 HydrophobicContact CD2-CE2 3.72Å; F189-F212 AromaticContact CD2-CZ 3.9Å; F189-F212 HydrophobicContact CD2-CZ 3.9Å; F189-F212 HydrophobicContact CE2-CD1 4.33Å; F189-F212 HydrophobicContact CE2-CD2 4.42Å; F189-F212 HydrophobicContact CE2-CE1 4.02Å; F189-F212 HydrophobicContact CE2-CE2 4.14Å; F189-F212 AromaticContact CE2-CZ 3.92Å; F189-F212 HydrophobicContact CE2-CZ 3.92Å; R192-F212 PolarHBondContact N-O 2.87Å; L198-F212 HydrophobicContact CD1-CB 3.24Å; L198-F212 HydrophobicContact CD1-CG 4.07Å; Y203-F212 HydrophobicContact CD2-CB 4.12Å; Y203-F212 AromaticContact CD2-CD1 3.64Å; Y203-F212 HydrophobicContact CD2-CD1 3.64Å; Y203-F212 HydrophobicContact CD2-CE1 4.44Å; Y203-F212 HydrophobicContact CD2-CG 4.21Å; Y203-F212 AromaticContact CE2-CD1 3.37Å; Y203-F212 HydrophobicContact CE2-CD1 3.37Å; Y203-F212 AromaticContact CE2-CE1 3.74Å; Y203-F212 HydrophobicContact CE2-CE1 3.74Å; Y203-F212 HydrophobicContact CE2-CG 4.3Å; E204-F212 WeakPolarHBondContact O-CA 3.29Å; G210-F212 WeakPolarHBondContact O-CE2 3.39Å
213V86.4Confident73Confident13 Ų1376 Ų768%0.07943%0.43CS..EExtended strand (participates in β ladder)trans-134134.5179.2-171.60000109.1Y203 E204 H217 C218Y203-V213 CarbonylContact C-O 3.57Å; Y203-V213 WeakPolarHBondContact CA-O 3.26Å; Y203-V213 WeakPolarHBondContact CB-O 3.08Å; E204-V213 PolarHBondContact N-O 3.05Å; E204-V213 PolarHBondContact O-N 3Å; V213-H217 HydrophobicContact CG1-CB 3.43Å; V213-H217 VanDerWaalsContact CG1-CB 3.43Å; V213-C218 VanDerWaalsContact CG1-SG 3.6Å
214C85.4Confident71.1Confident20 Ų2077.1 Ų77.114%0.13545%0.452CS..EExtended strand (participates in β ladder)trans-75.1152.2176.357.40000111.1C191 L198 E216 H217 C218C191-C214 HydrophobicContact CB-CB 4.42Å; C191-C214 PolarHBondContact SG-N 2.77Å; C191-C214 VanDerWaalsContact SG-N 3.43Å; C191-C214 VanDerWaalsContact SG-SG 3.66Å; L198-C214 HydrophobicContact CD2-CB 3.5Å; C214-E216 PolarHBondContact O-N 3.44Å; C214-E216 VanDerWaalsContact O-N 3.13Å; C214-H217 WeakPolarHBondContact O-CA 3.24Å; C214-H217 PolarHBondContact O-N 2.9Å; C214-H217 PolarHBondContact SG-ND1 3.34Å; C214-C218 PolarHBondContact O-N 3.07Å; C214-C218 VanDerWaalsContact O-N 3.13Å; C214-C218 PolarHBondContact O-SG 3.42Å
215A79.8Confident68.9Low56 Ų5677.7 Ų77.746%0.46346%0.464SS..Hα-helixtrans-48.7-42.5-179.500000113.8A202 H217 C218 A219A202-A215 PolarHBondContact O-N 3.26Å; A215-H217 PolarHBondContact O-N 3.09Å; A215-C218 WeakPolarHBondContact O-CA 3.29Å; A215-C218 WeakPolarHBondContact O-CB 3.32Å; A215-C218 PolarHBondContact O-N 2.83Å; A215-A219 PolarHBondContact O-N 3.32Å
216E78.3Confident66.7Low106 Ų10684.2 Ų84.250%0.49548%0.48SS..Hα-helixtrans-53.7-35.2173.917458.1-154.300113.7C214 R220C214-E216 PolarHBondContact O-N 3.44Å; C214-E216 VanDerWaalsContact O-N 3.13Å; E216-R220 WeakPolarHBondContact O-CD 3.38Å; E216-R220 VanDerWaalsContact O-CG 3.3Å; E216-R220 WeakPolarHBondContact O-CG 3.47Å; E216-R220 IonicContact OE1-CZ 3.48Å; E216-R220 IonicContact OE1-NE 2.71Å; E216-R220 PolarHBondContact OE1-NE 2.9Å; E216-R220 IonicContact OE1-NH2 3.51Å; E216-R220 PolarHBondContact OE1-NH2 2.99Å
217H77.7Confident64.9Low46 Ų4689.4 Ų89.421%0.21351%0.514CS..Hα-helixtrans-89-14.9176-84.4116.1000114R193 V213 C214 A215R193-H217 PolarHBondContact NH1-O 3Å; V213-H217 HydrophobicContact CG1-CB 3.43Å; V213-H217 VanDerWaalsContact CG1-CB 3.43Å; C214-H217 WeakPolarHBondContact O-CA 3.24Å; C214-H217 PolarHBondContact O-N 2.9Å; C214-H217 PolarHBondContact SG-ND1 3.34Å; A215-H217 PolarHBondContact O-N 3.09Å
218C72.9Confident62.9Low31 Ų3186.6 Ų86.621%0.20951%0.508CS..Hα-helixtrans-80.7-45173.1-55.90000110.7E204 V213 C214 A215 R220 L221E204-C218 VanDerWaalsContact CB-SG 3.55Å; E204-C218 HydrophobicContact CG-CB 4.14Å; E204-C218 WeakPolarHBondContact CG-SG 3.18Å; V213-C218 VanDerWaalsContact CG1-SG 3.6Å; C214-C218 PolarHBondContact O-N 3.07Å; C214-C218 VanDerWaalsContact O-N 3.13Å; C214-C218 PolarHBondContact O-SG 3.42Å; A215-C218 WeakPolarHBondContact O-CA 3.29Å; A215-C218 WeakPolarHBondContact O-CB 3.32Å; A215-C218 PolarHBondContact O-N 2.83Å; C218-R220 PolarHBondContact O-N 3.45Å; C218-R220 VanDerWaalsContact O-N 3.14Å; C218-L221 WeakPolarHBondContact O-CB 3.06Å; C218-L221 PolarHBondContact O-N 3.2Å
219A66.4Low60.6Low84 Ų8489.2 Ų89.269%0.69453%0.531SS*.Hα-helixtrans-54.3-33.3171.100000112.3A215 L221A215-A219 PolarHBondContact O-N 3.32Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 PolarHBondContact O-N 3.33Å
220R59.3Low58.6Low176 Ų17691.1 Ų91.166%0.66453%0.53SS*.THydrogen-bonded Turntrans-81.12.7176.4-66.4175.7-173.7-76.3-4.9115.3E216 C218E216-R220 WeakPolarHBondContact O-CD 3.38Å; E216-R220 VanDerWaalsContact O-CG 3.3Å; E216-R220 WeakPolarHBondContact O-CG 3.47Å; E216-R220 IonicContact OE1-CZ 3.48Å; E216-R220 IonicContact OE1-NE 2.71Å; E216-R220 PolarHBondContact OE1-NE 2.9Å; E216-R220 IonicContact OE1-NH2 3.51Å; E216-R220 PolarHBondContact OE1-NH2 2.99Å; C218-R220 PolarHBondContact O-N 3.45Å; C218-R220 VanDerWaalsContact O-N 3.14Å
221L55.5Low57.1Low107 Ų10795.4 Ų95.456%0.5655%0.553SS**THydrogen-bonded Turntrans-95.8-38.5171.2-87.2168.6000112.8C218 A219C218-L221 WeakPolarHBondContact O-CB 3.06Å; C218-L221 PolarHBondContact O-N 3.2Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 PolarHBondContact O-N 3.33Å
222G41.2Very low54.3Low44 Ų4497.3 Ų97.345%0.45458%0.578SS.*  trans69.1162.8-167.900000113.4G224G222-G224 PolarHBondContact O-N 3.49Å; G222-G224 VanDerWaalsContact O-N 3.13Å
223P47.8Very low52.2Low148 Ų148102.2 Ų102.296%0.96161%0.61SS**SBendtrans-74101.1174.9-12.228.7000110.7
224G41.1Very low49.2Very low58 Ų58110.8 Ų110.860%0.59865%0.647SS**  trans153.9109.9164.400000117.7G222G222-G224 PolarHBondContact O-N 3.49Å; G222-G224 VanDerWaalsContact O-N 3.13Å
225T36.5Very low46.4Very low134 Ų134114.8 Ų114.882%0.82268%0.675SS**  176.8116.8105.728.60000111.8
226R34.9Very low44Very low251 Ų251120.8 Ų120.895%0.94769%0.693SS**  trans-92.9116.3150.3-64.2-17879-167.36.2106.5
227S35.8Very low41.6Very low122 Ų122121.8 Ų121.885%0.85371%0.709SS**  trans-72.2135.3-168.2-68.70000114.3
228G28.6Very low39.2Very low65 Ų65128 Ų12867%0.6774%0.735SS**  trans-156.1105171.400000113
229T29.7Very low37.1Very low156 Ų156136 Ų13696%0.95777%0.77SS**  trans82.6156.5171.4-35.30000116.9
230R31.8Very low35.4Very low241 Ų241140.1 Ų140.191%0.90978%0.775SS**  trans-112.8172.3-170.9-108.5-164.4131.2-168.4-0.6111.9
231P40.4Very low34.1Very low116 Ų116138 Ų13875%0.75377%0.772SS**  trans-114.2172.1-141.842.7-36.8000116.5
232G23.7Very low32.8Very low67 Ų67140 Ų14069%0.69178%0.779SS**  trans-118.9158.9160.300000112
233P42.3Very low32.2Very low105 Ų105144.6 Ų144.668%0.68279%0.788SS**  trans-93-173.7-177.238.2-36.6000113.8
234F24.7Very low31.5Very low193 Ų193144.1 Ų144.185%0.84677%0.773SS**  trans80.3138.1-176.6-51.6-66.8000114.3
235S26.9Very low30.8Very low104 Ų104148 Ų14873%0.72778%0.779SS**  cis-155.2150.8-7.4-100.10000111
236Q27.9Very low30.3Very low183 Ų183145.2 Ų145.286%0.85577%0.77SS**PPolyproline II helixtrans-86.7130.9174.6-70-176-53.300112.8
237P29.7Very low30Very low127 Ų127141.8 Ų141.883%0.82577%0.765SS**PPolyproline II helixtrans-75.9140.3151.6-8.326.4000109.9
238K25.9Very low29.7Very low176 Ų176143.1 Ų143.177%0.76576%0.763SS**PPolyproline II helixtrans-96.7141.4175-67.8175.8179.8173.10110.8
239Q28.5Very low29.8Very low199 Ų199143.8 Ų143.893%0.9376%0.761SS**PPolyproline II helixtrans-100.7132.3150.2-72-172.1-4.100110
240Q32.2Very low29.9Very low171 Ų171146.1 Ų146.180%0.79976%0.758SS**  trans-130.3160.2161.5-61.4-176.2-51.800105.3
241H30.3Very low29.7Very low132 Ų132141.1 Ų141.161%0.61175%0.75SS**  cis-146.5168.912.9-169.539.4000107.1
242Q29.7Very low29.7Very low149 Ų149141.6 Ų141.670%0.69675%0.75SS**  166148.882.5-172.7167.7124.100107.5
243Q29Very low30.8Very low139 Ų139144.2 Ų144.265%0.6576%0.755SS**  cis-141.5163.421.7-135160.370.600107.1
244Q31.9Very low30Very low139 Ų139142.9 Ų142.965%0.6576%0.761SS**  cis-145.3-128-1.4-149.1170.111.300106.6
245L25.6Very low30.1Very low138 Ų138137.7 Ų137.772%0.72376%0.761SS**  cis-160.3132.1-8.4-141.3173.7000108.6
246A27.1Very low30.2Very low77 Ų77138.3 Ų138.364%0.63677%0.766SS**  trans58.8150.7159.500000120
247E28.5Very low31.3Very low179 Ų179135.2 Ų135.284%0.83676%0.761SS**  cis-160.7166.8-21.4-122.1179.3143.200111
248D29.8Very low31.1Very low150 Ų150134.3 Ų134.380%0.80276%0.758SS**  trans63.7164.3163.2-133.7-80.4000120.2
249A31.2Very low31.3Very low78 Ų78131.3 Ų131.365%0.64576%0.759SS**  trans-162.7142.9-166.500000114.1
250K30.7Very low31.2Very low205 Ų205126.9 Ų126.989%0.89175%0.75SS**  trans-165.8119.8146-109.5144.3-168.3158.70115.5
251D27.2Very low31.3Very low137 Ų137123.1 Ų123.173%0.73375%0.748SS**  trans-56.9163.5144.7-124.9-68.7000109.4
252V40.3Very low32.1Very low126 Ų126122.4 Ų122.476%0.76476%0.756SS**  cis-151.5-166.534.7-1430000110.8
253P48.3Very low32.1Very low121 Ų121120.6 Ų120.679%0.78677%0.766SS**  -125.5-167.5-116.846.1-28.1000115.8
254G25.6Very low32Very low78 Ų78117.3 Ų117.380%0.80477%0.769SS**  trans159.5136145.300000117.9
255G26.5Very low32.1Very low83 Ų83115.2 Ų115.286%0.85678%0.776SS**  trans110.395.9154.500000118.1
256S28.5Very low32.4Very low118 Ų118117 Ų11783%0.82578%0.781SS**  trans-100-163.3169.1-33.90000110.5
257P50.4Low32.9Very low117 Ų117117.2 Ų117.276%0.7678%0.782SS**  -131.7178.7-55.935.1-18.3000113.3
258S26.1Very low32.9Very low109 Ų109116.9 Ų116.976%0.76279%0.786SS**  trans173.1138.8143.1-79.10000109.4
259S28.9Very low32.7Very low113 Ų113112.7 Ų112.779%0.7978%0.778SS**  69.3131.255.1-67.60000113.5
260S27.6Very low33.7Very low106 Ų106114.9 Ų114.974%0.74179%0.786SS**  cis-172145.62.249.70000115.2
261A34.7Very low33.6Very low91 Ų91115.2 Ų115.275%0.75279%0.787SS**  trans67-179.1142.300000119.6
262P45.8Very low33.5Very low118 Ų118113.7 Ų113.777%0.76679%0.794SS**  -139.3174.2-73.442.8-27.8000116.8
263A29.3Very low32.9Very low110 Ų110113.2 Ų113.291%0.90980%0.796SS**  trans63.8160.4158.700000119.4
264G26.9Very low32.8Very low70 Ų70112.4 Ų112.472%0.72279%0.791SS**  cis161.8141.3-15.500000115.9
265A35.7Very low32.9Very low95 Ų95117.8 Ų117.879%0.78580%0.795SS**  trans76137.715300000123.4
266E31.5Very low32.9Very low177 Ų177118.9 Ų118.983%0.82780%0.796SS**  trans55.1163.3156.6-51.4-40.985.500123.4
267A38.3Very low32.7Very low81 Ų81124.7 Ų124.767%0.66980%0.8SS**  cis-179147.2-42.500000111.1
268D27.7Very low32.1Very low172 Ų172123.6 Ų123.692%0.9279%0.793SS**  trans-171.8173.1147.3-138.7-63.3000113
269G25.9Very low32.1Very low61 Ų61127 Ų12763%0.62980%0.796SS**  trans-123.4-142.7-173.100000115.8
270P51.6Low32Very low125 Ų125128.5 Ų128.581%0.81279%0.794SS**  cis-141171.5-6.342.7-24.3000118.3
271K28.5Very low32.6Very low211 Ų211129.1 Ų129.192%0.91780%0.796SS**  trans19.7133.6156.1-77.1-176.9172.9178.10124.9
272A25.9Very low32.4Very low105 Ų105131.3 Ų131.387%0.86880%0.8SS**  trans-167.4172.6131.800000113.7
273S26.9Very low31.8Very low116 Ų116135.2 Ų135.281%0.81181%0.805SS**  trans-146.5-177.6-179-130.30000110.2
274P46.3Very low32.1Very low105 Ų105136.4 Ų136.468%0.68280%0.803SS**  cis-144.1-176.819.544-22.8000119
275E27.7Very low32.1Very low190 Ų190144.4 Ų144.489%0.88881%0.812SS**  trans23.6138.1150.8-65.5-178.193.600126.2
276A26.5Very low31.9Very low107 Ų107146.2 Ų146.288%0.88481%0.813SS**  trans-170.1166.1135.100000113.1
277R25.1Very low32.4Very low240 Ų240143.6 Ų143.691%0.90681%0.811SS**  trans-127.8-159.6-174.3-151.2-163.1162.5179.8-4.4113.2
278P36.7Very low32Very low93 Ų93143.3 Ų143.360%0.60482%0.816SS**  -110.5177.7-119.642.5-27.6000116.8
279Q26.3Very low32.1Very low180 Ų180145 Ų14584%0.84182%0.815SS**  trans-143.1166.6164-80.1-59.9-12.200113.7
280I28.2Very low32.5Very low145 Ų145148.2 Ų148.274%0.74483%0.825SS**  trans-100.5145.5-166.3-57.2161.9000112.6
281P39.3Very low31.4Very low120 Ų120151.4 Ų151.478%0.77983%0.829SS**  trans-101.1148.5174.737-32.3000115.2
282T29.8Very low31.3Very low136 Ų136149.6 Ų149.683%0.83482%0.824SS**  trans-132.3159175.3-400000111.2
283K34Very low31.4Very low201 Ų201152.8 Ų152.887%0.87483%0.825SS**  trans-49.6143.5-175.1-71.6178.7174.1175.20116.5
284P35.8Very low31.5Very low134 Ų134151.5 Ų151.587%0.8782%0.821SS**  trans-106.5176.4155.137.1-29.7000114
285R25.9Very low30.7Very low239 Ų239152 Ų15290%0.90283%0.828SS**  trans-142.1153.8-174.8177.3-179.2175.1-172.30.1111.8
286V33.1Very low30.8Very low133 Ų133149.4 Ų149.481%0.80683%0.825SS**  trans-60.9137-178.6-152.70000114.1
287P41Very low31.8Very low122 Ų122150 Ų15079%0.79282%0.82SS**  -126.6179.4113.838.7-33.1000111.3
288G29Very low32Very low75 Ų75143.7 Ų143.777%0.77382%0.819SS**  cis-172.1-161.43.600000111.1
289K30.4Very low31.5Very low207 Ų207143.2 Ų143.290%0.983%0.831SS**  trans-154.7143.6-180-158.7-178.7-173-179.60112.7
290P35.4Very low31.7Very low128 Ų128145.1 Ų145.183%0.83183%0.83SS**  trans-112.3-178.4163.48.314.5000113.8
291Q28.3Very low32.6Very low193 Ų193143.9 Ų143.990%0.90283%0.831SS**  trans-139.3159.6-164.8-178.2175.9-13.600112.6
292E24.9Very low32.1Very low173 Ų173143.6 Ų143.681%0.80883%0.828SS**  trans-114.9148.5-167.9-171-171.1139.300113.9
293L29.7Very low32.6Very low172 Ų172143.1 Ų143.190%0.90183%0.827SS**  trans-146.9154.1168.6-76.7177.9000111.6
294A27.6Very low32.6Very low88 Ų88137.9 Ų137.973%0.72782%0.821SS**  trans-88.8166.2-163.800000115.7
295S29Very low32.7Very low117 Ų117137.7 Ų137.782%0.81882%0.82SS**  -170.5173.879.4-65.30000115.6
296T29.9Very low33.1Very low134 Ų134138.2 Ų138.282%0.82282%0.822SS**  trans-85.9-174.7-169.152.80000114.3
297P48.4Very low33.4Very low120 Ų120141.8 Ų141.878%0.77983%0.827SS**  cis-151.4179.918.345.6-24.2000121.7
298A28.9Very low32.9Very low107 Ų107140.8 Ų140.888%0.88483%0.829SS**  trans124.6128137.800000118.7
299G26.6Very low33.2Very low83 Ų83142.6 Ų142.686%0.85683%0.829SS**  trans147.9125.1168.800000115.7
300R31.4Very low33.2Very low221 Ų221141.7 Ų141.783%0.83483%0.829SS**  trans-161.8143.3-180-172.5162.7-171.5-104.5-9.3108
301P46.2Very low33Very low118 Ų118141 Ų14177%0.76683%0.827SS**  -152.3176.662.142.4-19.8000120.5
302T28.8Very low33.2Very low114 Ų114139.3 Ų139.370%0.69982%0.822SS**  trans-146.1138.2173.7-41.40000109.1
303P39.9Very low33.6Very low127 Ų127135.1 Ų135.183%0.82582%0.817SS**  trans-86.5176.2178.935.6-36.1000113.5
304A34.4Very low34.1Very low91 Ų91133.2 Ų133.275%0.75282%0.815SS**  trans-136.4155.5-17400000113.9
305P38.8Very low34.3Very low130 Ų130133.4 Ų133.484%0.84482%0.817SS**  trans-91.9176.6170.136.1-32.7000113.6
306R34.1Very low34.7Very low249 Ų249133.8 Ų133.894%0.9482%0.817SS**  trans-110.6169.8-163.6-64.6175174.5167.9-3.3114.3
307K39.1Very low35.3Very low208 Ų208133.4 Ų133.490%0.90482%0.816SS**  trans-91.7152.8174.8-65.3-175177.2-175.40113.5
308A30.2Very low34.9Very low101 Ų101134 Ų13484%0.83582%0.818SS**  trans-151173.5149.200000108.7
309S35.8Very low35.2Very low113 Ų113135 Ų13579%0.7982%0.815SS**  trans-138.5173.5-163.1-55.10000114.3
310E28.9Very low35.8Very low189 Ų189142 Ų14288%0.88382%0.816SS**  trans116.6170.8159.1-58.5-167.2140.700117.2
311S32.2Very low35.9Very low113 Ų113137.9 Ų137.979%0.7982%0.818SS**  trans-150.2-176.2-143.4-48.90000112.2
312I31.3Very low35Very low157 Ų157144 Ų14481%0.80583%0.825SS**  cis-159156.310.9-155.6170.6000112.6
313A34.9Very low35Very low85 Ų85144 Ų14470%0.70283%0.83SS**  trans65.2165.2155.900000120
314P39.5Very low34.5Very low132 Ų132143 Ų14386%0.85783%0.826SS**  -133165.2-57.838.8-25.5000114.1
315A32.6Very low34.3Very low93 Ų93145.8 Ų145.877%0.76983%0.827SS**  trans-120.2155.1171.400000111.5
316P36.9Very low33.8Very low125 Ų125148.6 Ų148.681%0.81283%0.829SS**PPolyproline II helixtrans-81.1151.2-170.632.2-36.1000114.2
317P43.3Very low33.4Very low125 Ų125144.7 Ų144.781%0.81282%0.822SS**PPolyproline II helixtrans-85.3146.6-178.933.9-35.4000114
318T39.2Very low32.7Very low133 Ų133143.5 Ų143.582%0.81682%0.82SS**PPolyproline II helixtrans-84.1150.4166.6360000112.1
319P35.3Very low32.5Very low127 Ų127145.3 Ų145.383%0.82582%0.815SS**PPolyproline II helixtrans-78.2144.9178.732.1-34.6000112.3
320R39.3Very low32.1Very low232 Ų232147.8 Ų147.888%0.87582%0.819SS**PPolyproline II helixtrans-99.8148.3164.1-74.5-175172.7-163.8-3110.4
321P34.2Very low32.1Very low134 Ų134144.1 Ų144.187%0.8781%0.809SS**PPolyproline II helixtrans-65154.6168.330-34.9000110.8
322R27.4Very low31.9Very low246 Ų246147.8 Ų147.893%0.92881%0.814SS**  trans-126.9114.6-175.3-170.8-177.7-168.2179.64.7110.5
323S27.6Very low31.7Very low115 Ų115149.5 Ų149.580%0.80482%0.818SS**  trans-86.2149.9168.449.90000111.5
324S28.7Very low31.4Very low105 Ų105150.3 Ų150.373%0.73483%0.825SS**  trans-150.5106.8159.2-168.90000105.3
325L32.1Very low30.9Very low149 Ų149147.7 Ų147.778%0.7882%0.822SS**  54.9103.382.1-78.7172.5000113.1
326Q27.9Very low30.7Very low189 Ų189148.6 Ų148.688%0.88382%0.822SS**  trans-149.7108.7134.4-116.5171.6-15.200108.3
327Q25.3Very low30.3Very low167 Ų167147.9 Ų147.978%0.7882%0.82SS**  trans-138.8109.2171-177.2178.518.700106.8
328E23.9Very low29.5Very low184 Ų184146.8 Ų146.886%0.8682%0.816SS**  trans-116.9134.5174-62-170.2140.600107.7
329N27.2Very low29.1Very low139 Ų139148 Ų14874%0.74382%0.816SS**  trans-149.4123-168.2-167.8-9.2000109.1
330L26.3Very low28.8Very low164 Ų164147.1 Ų147.186%0.85981%0.809SS**  trans-144.186.2-177.4-16867.1000112.5
331V29.8Very low28.3Very low112 Ų112143.7 Ų143.768%0.67981%0.808SS**  trans20.1118.6140.7-176.90000117.8
332E26.5Very low28Very low191 Ų191141 Ų14189%0.89380%0.804SS**  trans-74.6146.2156.1-72.5-169.187.800112.6
333Q28.5Very low28.1Very low192 Ų192140.4 Ų140.490%0.89780%0.802SS**  trans-153.5141.4154.5-157.8163.5106.200110.6
334A28.5Very low28.4Very low103 Ų103142 Ų14285%0.85180%0.8SS**  trans-108.9151.2-169.900000113.8
335G28.4Very low28.4Very low77 Ų77145.9 Ų145.979%0.79481%0.807SS**  trans17889.6174.100000119.8
336S29.2Very low28.3Very low111 Ų111146.1 Ų146.178%0.77680%0.804SS**  trans69126.5140.2-166.70000124
337S27.4Very low29.3Very low110 Ų110142 Ų14277%0.76979%0.794SS**  trans68.6159.3141.462.40000121.7
338S26.9Very low30.1Very low102 Ų102139.6 Ų139.671%0.71379%0.792SS**  cis-175.1161-33.7-168.60000109.9
339L31.7Very low30.9Very low158 Ų158136.8 Ų136.883%0.82779%0.787SS**  trans69.2160.4171.5-49.8178.8000117.2
340V27.9Very low31.2Very low110 Ų110136 Ų13667%0.66779%0.79SS**  cis-166.9149.6-36.968.80000110.6
341N28.6Very low31.5Very low160 Ų160137.5 Ų137.586%0.85679%0.79SS**  trans65.8152.1170.5-66.1-22.6000119.5
342G28.2Very low32.4Very low77 Ų77138.2 Ų138.279%0.79480%0.797SS**  trans-169.4-80.1-176.500000118.9
343R29.5Very low32.4Very low233 Ų233141.3 Ų141.388%0.87980%0.8SS**  trans74.9102.8176-167.6176.8-168.1-1044120.1
344L33.6Very low32.3Very low148 Ų148135.6 Ų135.678%0.77579%0.793SS**  trans45.1124139.9-78.5163.1000123
345H28.5Very low32.9Very low188 Ų188137.5 Ų137.587%0.8779%0.794SS**  -158.2152.2122.4-129-83.7000113.8
346E30.9Very low32.9Very low154 Ų154139.6 Ų139.672%0.7279%0.793SS**  trans-130.5-178.7168.5-127.2-15698.100106.8
347P47.8Very low33.3Very low103 Ų103143.8 Ų143.867%0.66980%0.798SS**  cis-124.2-150.2-4.641.5-20.3000109.4
348P42.5Very low33.4Very low115 Ų115144.8 Ų144.875%0.74780%0.801SS**  cis-137175.4-1.642.3-23000118.7
349V41.6Very low33.5Very low125 Ų125144.8 Ų144.876%0.75880%0.801SS**PPolyproline II helixtrans-102.8143.1179.1172.10000112.5
350P32.6Very low33.6Very low122 Ų122146.7 Ų146.779%0.79281%0.806SS**PPolyproline II helixtrans-102150.1153.1-2.923.6000113
351K34.1Very low33.7Very low197 Ų197144.9 Ų144.986%0.85781%0.81SS**PPolyproline II helixtrans-95.9160.7-178.3-97179.2176.11750113.5
352P48Very low34Very low127 Ų127144 Ų14483%0.82581%0.81SS**PPolyproline II helixtrans-84.3158.6-165.634.2-38000114.8
353R27.1Very low34.2Very low256 Ų256145.9 Ų145.997%0.96681%0.809SS**  trans-160.3134.6165.3-166173.4-171.3161.22.7113.5
354G25.9Very low34.5Very low72 Ų72139.2 Ų139.274%0.74280%0.803SS**  trans100.4106.9149.700000117.6
355T39.8Very low34.8Very low143 Ų143138.1 Ų138.188%0.87781%0.805SS**  trans-89133.5162.346.10000111.6
356P29.5Very low35.1Very low120 Ų120140 Ų14078%0.77980%0.804SS**  trans-104.4150.3156.134.6-26.9000111.9
357K37.9Very low35.6Very low200 Ų200142.6 Ų142.687%0.8781%0.813SS**  trans-77.9158.7169.5-69.9-175.8176.4-175.70111.3
358P28.8Very low35.3Very low130 Ų130144.1 Ų144.184%0.84482%0.816SS**  -117.6176.6126.135.3-31.7000112.2
359S28.1Very low35.5Very low102 Ų102142.2 Ų142.271%0.71380%0.804SS**  trans-127.2152.6-166.150.60000114.1
360E34.3Very low35.7Very low198 Ų198142.5 Ų142.593%0.92581%0.808SS**  trans33.4122.2153.6-72.1165.595.800120.9
361G29.2Very low36.1Very low73 Ų73146.5 Ų146.575%0.75381%0.807SS**  trans177.782.7168.800000113.3
362T36.7Very low36.4Very low141 Ų141142.3 Ų142.387%0.86579%0.793SS**PPolyproline II helixtrans-88.8127-173.1-490000113.6
363P31.3Very low36.2Very low117 Ų117142.4 Ų142.476%0.7679%0.791SS**PPolyproline II helixtrans-89.7144.8159.934.7-30.8000111.6
364A36Very low37Very low92 Ų92137.4 Ų137.476%0.7678%0.783SS**PPolyproline II helixtrans-83.9153.1-170.500000114.8
365P39.1Very low37.4Very low125 Ų125140.2 Ų140.281%0.81279%0.785SS**PPolyproline II helixtrans-70.2162.3173.630.6-36.1000112.9
366R36.4Very low37Very low227 Ų227142.3 Ų142.386%0.85779%0.785SS**PPolyproline II helixtrans-85.6165.5170.4-67.9-174.2175.2-136-0.7110.5
367K40.6Very low37.2Very low209 Ų209140.9 Ų140.991%0.90978%0.784SS**PPolyproline II helixtrans-97139.2-170-57.7-176.6179.4-172.70112.5
368D41.5Very low37Very low136 Ų136140.4 Ų140.473%0.72779%0.785SS**PPolyproline II helixtrans-75.7159.4172.3-52.7-68.8000112.7
369P47.9Very low37.6Very low75 Ų75139.8 Ų139.849%0.48778%0.781SS.*PPolyproline II helixtrans-69.5151175.228.4-34.7000112.8W371P369-W371 VanDerWaalsContact C-N 3.31Å; P369-W371 PolarHBondContact O-N 3.12Å
370P45.2Very low37.9Very low130 Ų130144.6 Ų144.684%0.84479%0.789SS**THydrogen-bonded Turntrans-83.217-152.733.8-39.4000116.7
371W39.9Very low37.7Very low207 Ų207145.4 Ų145.478%0.78479%0.789SS**THydrogen-bonded Turntrans-106.3-14.6-177.671.8-90.4000114.7P369P369-W371 VanDerWaalsContact C-N 3.31Å; P369-W371 PolarHBondContact O-N 3.12Å
372I40.9Very low37.9Very low108 Ų108151.5 Ų151.555%0.55480%0.795SS**SBendtrans-83.6-9.8-176.3-71.2170000112.7L374I372-L374 PolarHBondContact O-N 2.88Å
373T44.2Very low38.3Very low129 Ų129150.5 Ų150.579%0.79179%0.791SS**  trans-85.244.5-176.7-37.30000113.6
374L42.9Very low38.1Very low152 Ų152149.5 Ų149.580%0.79679%0.792SS**SBendtrans-142.7133.7170.7-96.1164.7000109.5I372I372-L374 PolarHBondContact O-N 2.88Å
375V35Very low37.9Very low130 Ų130151.1 Ų151.179%0.78880%0.795SS**SBendtrans84128.2179.8-163.30000115.8
376Q32.4Very low37.8Very low187 Ų187153.2 Ų153.287%0.87480%0.798SS**  trans70.9146-179.4-42.3-156.458.800118.2
377A33.1Very low37.7Very low91 Ų91147.9 Ų147.975%0.75279%0.793SS**  cis-169.3149.1-34.600000109.4
378E33.1Very low37.3Very low190 Ų190144.4 Ų144.489%0.88879%0.792SS**  trans-131.7163.5177.1-95.3-141.9102.400114.4
379P41.2Very low36.7Very low116 Ų116143.1 Ų143.175%0.75379%0.794SS**  trans-104.8174.8-145.939.3-37.7000119.9
380K34.9Very low35.7Very low203 Ų203145.3 Ų145.388%0.88381%0.811SS**  trans-68.2147.6-166.4-60.1160.7176.81660118.1
381K30.8Very low35.2Very low216 Ų216144.5 Ų144.594%0.93981%0.809SS**  trans-143175.5143.6-71.4-163.11791750111.8
382K32.2Very low34.9Very low201 Ų201141 Ų14187%0.87481%0.812SS**  trans-124.9-176.6-166.3-56.2-178.2177.9-1780112.1
383P45Very low34.2Very low120 Ų120139.2 Ų139.278%0.77982%0.82SS**  -137-175.1-65.242.4-25.6000115.3
384A26.8Very low34.5Very low95 Ų95138.8 Ų138.879%0.78582%0.82SS**  trans75.2160.2164.400000118
385P32.7Very low34.2Very low126 Ų126137.5 Ų137.582%0.81882%0.821SS**  cis-121.7-161.6543.8-29.1000115.5
386L38.1Very low33.9Very low169 Ų169136.8 Ų136.889%0.88582%0.821SS**  trans-106.2152-176.1-66170.2000114.1
387P33.8Very low33.8Very low116 Ų116136.2 Ų136.275%0.75382%0.819SS**  trans-99.1165.9167.938.3-33000114.1
388P31.3Very low33.4Very low135 Ų135137.4 Ų137.488%0.87781%0.812SS**  trans-95.6175.2-17338.8-37.5000115.7
389S29.1Very low33.3Very low110 Ų110132.7 Ų132.777%0.76980%0.801SS**  trans-97.4146.2179.5175.10000113.5
390S27.6Very low32.8Very low120 Ų120137.9 Ų137.984%0.83981%0.805SS**  trans-177.6145138.6-79.30000112.3
391S33.2Very low32.5Very low114 Ų114136.6 Ų136.680%0.79780%0.802SS**  trans-88.9171.9170.3-48.20000111.3
392P34.7Very low32.3Very low133 Ų133132 Ų13286%0.86479%0.792SS**  -141.8-178.788.638.6-23.1000114.3
393G25.9Very low32.1Very low70 Ų70129.9 Ų129.972%0.72279%0.785SS**  trans-108.2-137.7-171.600000116.5
394P50.7Low31.4Very low120 Ų120130.9 Ų130.978%0.77978%0.784SS**  -113.5-169.5-127.943.4-36.8000114.6
395P36.7Very low31.4Very low126 Ų126130.4 Ų130.482%0.81879%0.788SS**  trans-129.7165.4137.238.4-29.5000113.9
396S28.4Very low31Very low114 Ų114127.7 Ų127.780%0.79778%0.783SS**  trans-150.2145171.2-54.90000110.3
397Q31.1Very low30.5Very low176 Ų176125.6 Ų125.682%0.82278%0.778SS**  trans-149.7152.3161.5-100.2179.6-80.100107.4
398D24.8Very low30.2Very low116 Ų116128.4 Ų128.462%0.6278%0.781SS**  cis-145.4160.313.5-141.7-36.2000113.7
399S30.6Very low30.1Very low91 Ų91130.3 Ų130.364%0.63678%0.778SS**  trans30145.3146.4-72.20000123.3
400R31.2Very low29.9Very low225 Ų225130.9 Ų130.985%0.84978%0.776SS**  cis-176.2175.1-16.1-127.2174.7175.9-156.8-1.7109.7
401Q27Very low29.7Very low176 Ų176129.8 Ų129.882%0.82278%0.775SS**  trans75.9126173.7-72.7-179.5-45.700115.5
402V28.2Very low29.6Very low120 Ų120131.8 Ų131.873%0.72777%0.771SS**  85.512557.9164.10000110.4
403E27.7Very low29.4Very low155 Ų155131.3 Ų131.372%0.72477%0.768SS**  cis-155.1166.810.9-138.7-179.285.100114.6
404N29.4Very low29.4Very low142 Ų142132.1 Ų132.176%0.75976%0.763SS**  trans31.9134.1148.1-81.2-33.1000125
405G27Very low29.2Very low84 Ų84132.1 Ų132.187%0.86676%0.763SS**  trans87154.115100000117.5
406G25.7Very low28.7Very low70 Ų70130.8 Ų130.872%0.72276%0.763SS**  cis161.9129.4-11.300000114
407T26.7Very low28.6Very low125 Ų125130.1 Ų130.177%0.76776%0.764SS**  trans66.3115.6155.8-45.90000121.1
408E27.6Very low28.4Very low174 Ų174127.6 Ų127.681%0.81377%0.766SS**  trans47.8139.6142.6-59.1177.8122.100126
409E28.2Very low28.6Very low175 Ų175130 Ų13082%0.81878%0.778SS**  trans80.2141.9140.1-87.8-147.9113.800126.2
410V26.5Very low28.5Very low122 Ų122134.8 Ų134.874%0.73979%0.79SS**  trans56.4112.6153179.90000120.8
411A23.7Very low28.5Very low97 Ų97130 Ų13080%0.80279%0.788SS**  -175.4143116.800000114.2
412Q30.5Very low28.7Very low156 Ų156131.2 Ų131.273%0.72979%0.79SS**  trans-86.5153.3160.9-92.2-90.3-13.400109S414Q412-S414 PolarHBondContact OE1-OG 2.94Å
413P30.3Very low28.9Very low123 Ų123131.6 Ų131.680%0.79980%0.795SS**  -152.3167.87240.6-20.5000118.8
414S25.9Very low29.3Very low88 Ų88133.8 Ų133.862%0.61580%0.799SS**  trans-74.1-172164.8-43.70000112.6Q412Q412-S414 PolarHBondContact OE1-OG 2.94Å
415P47.1Very low29.7Very low120 Ų120132.4 Ų132.478%0.77979%0.791SS**  cis-140.6-166.62.144.3-25000116.6
416A25.6Very low30.2Very low98 Ų98132.5 Ų132.581%0.8178%0.777SS**  trans80.5149.6161.800000118.9
417A27.1Very low30.8Very low99 Ų99138.5 Ų138.582%0.81878%0.783SS**  cis177.3126.8-39.500000108.1
418S24.9Very low31.1Very low123 Ų123140.7 Ų140.786%0.8679%0.785SS**  trans-159.5125159.3-171.40000112.5
419L29Very low31.7Very low168 Ų168142.3 Ų142.388%0.8879%0.792SS**  trans-39.2147176.4-56.9162.5000117.4
420E28.8Very low32.1Very low190 Ų190143.4 Ų143.489%0.88880%0.797SS**  trans-122.2159.3158.3-87.5-158.7121.200110.6
421P32.3Very low32.7Very low124 Ų124146.8 Ų146.881%0.80581%0.805SS**PPolyproline II helixtrans-83163.8-170.533.5-36.7000115
422K30.9Very low33.3Very low202 Ų202149.9 Ų149.988%0.87881%0.808SS**PPolyproline II helixtrans-102.2147.7-174.6-158.1172.9-176-177.10111.9
423P31.8Very low33.6Very low128 Ų128152.2 Ų152.283%0.83182%0.819SS**PPolyproline II helixtrans-71.9157.6-179.6-18.132.8000114.3
424Y36.2Very low33.8Very low202 Ų202155.2 Ų155.279%0.79282%0.822SS**PPolyproline II helixtrans-101140.8-176.3174.5-107.7000112.4P426Y424-P426 HydrophobicContact CD1-CB 4.48Å; Y424-P426 HydrophobicContact CD1-CG 3.96Å; Y424-P426 HydrophobicContact CE1-CB 3.79Å; Y424-P426 HydrophobicContact CE1-CG 3.74Å
425N37.8Very low34.1Very low113 Ų113159.6 Ų159.660%0.60483%0.833SS**  trans-119.5110.7179-173.732.1000110.1F427N425-F427 VanDerWaalsContact C-N 3.32Å; N425-F427 PolarHBondContact O-N 3.22Å
426P37.6Very low33Very low86 Ų86162.2 Ų162.256%0.55884%0.835SS**THydrogen-bonded Turntrans-79.521.7-161.5-17.332.5000118.6Y424Y424-P426 HydrophobicContact CD1-CB 4.48Å; Y424-P426 HydrophobicContact CD1-CG 3.96Å; Y424-P426 HydrophobicContact CE1-CB 3.79Å; Y424-P426 HydrophobicContact CE1-CG 3.74Å
427F38.2Very low33.2Very low195 Ų195161.2 Ų161.286%0.85583%0.826SS**THydrogen-bonded Turntrans-130.118.2-166-100.5-70.6000116.8N425N425-F427 VanDerWaalsContact C-N 3.32Å; N425-F427 PolarHBondContact O-N 3.22Å
428E33.9Very low34Very low172 Ų172162.5 Ų162.580%0.80483%0.827SS**  trans-108.4122.5167.3-69176.1129.600109.2
429E38.7Very low34Very low207 Ų207161.5 Ų161.597%0.96783%0.826SS**  trans-88.9118.2165.8-67.1-177.1131.800107.3
430E38.5Very low34.1Very low198 Ų198157.8 Ų157.893%0.92582%0.819SS**  trans-104.8139.6-179.9-163.6167.2-142.800110
431E37Very low34.6Very low194 Ų194154.3 Ų154.391%0.90781%0.813SS**  trans-114129.5-172.5-169.3168.8-147.100109.3
432D36.4Very low34.4Very low162 Ų162153 Ų15387%0.86681%0.807SS**  trans-68.4143-172.3-63.6-77.3000114
433E37Very low34.3Very low205 Ų205151.2 Ų151.296%0.95881%0.806SS**  trans-138.9165.6150.2-79.8-152.5126.600111.6
434E35.1Very low34.1Very low186 Ų186148.7 Ų148.787%0.86980%0.796SS**  trans-123.4179.5-153.5-156.8174.1-17100114
435E31.4Very low33.6Very low179 Ų179145.7 Ų145.784%0.83680%0.799SS**  trans71.2157.7176.8-54.7-147.411800117.3
436E25.9Very low33.1Very low176 Ų176145.4 Ų145.482%0.82281%0.806SS**  cis-138.3168.9-1.9-150.2-163.5155.900110.1
437A29.7Very low33.5Very low76 Ų76147 Ų14763%0.62882%0.816SS**  trans-102.9161.5169.500000110.8
438P42.6Very low33Very low127 Ų127142.1 Ų142.183%0.82581%0.812SS**  -157.3179.593.440.3-21.2000117.6
439A25.7Very low32.8Very low102 Ų102142.7 Ų142.784%0.84382%0.819SS**  trans81.9124.3152.700000120.7
440A30Very low32.2Very low89 Ų89136.1 Ų136.174%0.73681%0.807SS**  trans-99.2174.9160.800000110.3
441P41Very low31.7Very low118 Ų118135.1 Ų135.177%0.76680%0.802SS**  -153.9129.794.737.2-17.6000118.3
442S28.1Very low31.3Very low96 Ų96133.1 Ų133.167%0.67180%0.797SS**  trans65.4156.3130.572.80000124.9
443L28.2Very low31.2Very low164 Ų164133.6 Ų133.686%0.85979%0.794SS**  trans75.9142.3166.5-58.5128.9000118.4
444A26.6Very low31Very low75 Ų75129.1 Ų129.162%0.6279%0.786SS**  cis-169.3164.8-20.300000113
445T26.3Very low30.9Very low139 Ų139125.8 Ų125.885%0.85378%0.778SS**  trans86.4129.7152.9-150000119.7
446S28.4Very low30.9Very low108 Ų108125 Ų12576%0.75578%0.779SS**  trans-98.6-164.1170-33.60000109.3
447P44.9Very low31.4Very low119 Ų119125.1 Ų125.177%0.77378%0.777SS**  cis-140.9162.65.342.1-22.7000119.3
448A27.6Very low31.3Very low92 Ų92127.4 Ų127.476%0.7679%0.788SS**  trans51.5123138.700000123.2
449L29.4Very low31.1Very low184 Ų184127.4 Ų127.496%0.96378%0.78SS**  -172.9153.7118.4-103.3167.8000112
450G27.5Very low32Very low70 Ų70129 Ų12972%0.72277%0.77SS**  trans103.943.4144.200000122.7
451H26.6Very low32.5Very low176 Ų176130 Ų13082%0.81577%0.769SS**  trans4.1118.8145.6175.8-71.2000120.1
452L29.8Very low32.3Very low153 Ų153134.2 Ų134.280%0.80177%0.77SS**  -170.3146.3119.5-171.360.3000112.3
453E34Very low33Very low172 Ų172137.2 Ų137.280%0.80477%0.767SS**  trans-91.4132.4-179.6-178.7-174.6165.200112.9
454S31.7Very low33.4Very low111 Ų111132.4 Ų132.478%0.77676%0.758SS**  trans-161.798.9165.2-161.20000112.7
455T32.7Very low33.8Very low116 Ų116136.1 Ų136.171%0.71277%0.766SS**  trans-93.3119176.7-590000110.9
456L33.2Very low34.2Very low163 Ų163135.3 Ų135.385%0.85376%0.761SS**  trans-125.9111.4167.3-90.8170.6000110.7
457K34.6Very low34.5Very low178 Ų178136.9 Ų136.977%0.77477%0.768SS**  trans-79.1134.7171.5-66.2-177.8177.9-177.80109.5
458S28.9Very low33.8Very low123 Ų123137.3 Ų137.386%0.8677%0.769SS**  trans-72.1134.8167.7-169.90000109.8
459L37.7Very low34Very low128 Ų128138.2 Ų138.267%0.6777%0.77SS**  trans-104.3134.8173.5-80.295.9000110.9Y463L459-Y463 HydrophobicContact CD2-CD2 4.4Å; L459-Y463 HydrophobicContact CD2-CG 4.42Å
460H45.5Very low34.4Very low135 Ų135134.9 Ų134.963%0.62576%0.762SS**  trans-76.5150.1-179.3-162.2-123.8000111.6W462H460-W462 AromaticContact ND1-CD1 3.92Å; H460-W462 PolarHBondContact O-N 3.12Å
461P40.6Very low35.1Very low109 Ų109137.7 Ų137.771%0.70877%0.767SS**G310 helixtrans-60.4-15.7-167.6-28.637.4000117.3Y463P461-Y463 PolarHBondContact O-N 3.11Å
462W37.1Very low35.3Very low208 Ų208138.4 Ų138.479%0.78877%0.768SS**G310 helixtrans-74.1-15.9-173.8-80.891.4000115.5H460 G464H460-W462 AromaticContact ND1-CD1 3.92Å; H460-W462 PolarHBondContact O-N 3.12Å; W462-G464 PolarHBondContact O-N 3.3Å
463Y42.7Very low35.5Very low158 Ų158137.1 Ų137.162%0.6277%0.766SS**G310 helixtrans-71.15.6175.9-76.3-86.6000114.5L459 P461L459-Y463 HydrophobicContact CD2-CD2 4.4Å; L459-Y463 HydrophobicContact CD2-CG 4.42Å; P461-Y463 PolarHBondContact O-N 3.11Å
464G35.9Very low35.5Very low64 Ų64139 Ų13966%0.6677%0.772SS**G310 helixtrans-86.7-9-168.400000118.2W462W462-G464 PolarHBondContact O-N 3.3Å
465I35.5Very low35.8Very low153 Ų153143.4 Ų143.479%0.78578%0.777SS**  trans-120.680.9-166.9-46.6-177.8000113
466T34.1Very low35.7Very low122 Ų122149 Ų14975%0.74879%0.785SS**  trans-133.2135.7158.459.30000111.4T468T466-T468 PolarHBondContact O-N 3.23Å
467P34.9Very low35.9Very low140 Ų140146.8 Ų146.891%0.90978%0.78SS**  trans-8999.2-174.333.1-33.5000112.3
468T30.1Very low35.8Very low129 Ų129142.6 Ų142.679%0.79178%0.779SS**  trans-133.6159.5170.1-173.50000113T466T466-T468 PolarHBondContact O-N 3.23Å
469S30.8Very low36Very low111 Ų111143 Ų14378%0.77678%0.779SS**PPolyproline II helixtrans-102.8137.2-148.4570000116.1
470S38.6Very low35.7Very low114 Ų114148.5 Ų148.580%0.79779%0.791SS**PPolyproline II helixtrans-76.7144.4-176.7-29.90000115.2
471P41.3Very low35.4Very low128 Ų128146.7 Ų146.783%0.83180%0.8SS**PPolyproline II helixtrans-82.4160.9160.6-1027.8000113.6
472K32.3Very low35.2Very low192 Ų192147.6 Ų147.684%0.83581%0.805SS**PPolyproline II helixtrans-101.8161.2176.6-75179.7178174.40109.6
473T34.1Very low34.9Very low125 Ų125143.4 Ų143.477%0.76781%0.808SS**  cis-172153.8-0.118.10000109.9
474K34.4Very low34.2Very low211 Ų211140.5 Ų140.592%0.91782%0.817SS**  trans-148151.3142.6-119.2171.3-178.71760110.2
475K36.2Very low33.8Very low204 Ų204142.9 Ų142.989%0.88782%0.823SS**  trans-89.2155.9-176.9-55.3173.6-179.5175.60109
476R30.6Very low34Very low233 Ų233140.7 Ų140.788%0.87982%0.819SS**  169.2171.857.7-174-175.6-179.7-153.11.9106.2
477P37.7Very low33.7Very low117 Ų117143 Ų14376%0.7683%0.826SS**  cis-108.7-169.3-20.21411000112.3
478A32.6Very low33.4Very low91 Ų91140.9 Ų140.975%0.75282%0.82SS**  trans-120.2144.3162.600000110.7
479P34.3Very low33.5Very low132 Ų132142.4 Ų142.486%0.85782%0.822SS**PPolyproline II helixtrans-76.8164.4169.932.9-34.1000111.8
480R31.4Very low33.4Very low242 Ų242145.8 Ų145.891%0.91383%0.826SS**PPolyproline II helixtrans-97.1151.4176.2-69.5-178.2172.6-167-1.7111.4
481A39.3Very low32.8Very low98 Ų98144.5 Ų144.581%0.8182%0.822SS**PPolyproline II helixtrans-85140.3160.900000111.2
482P34.7Very low32.2Very low128 Ų128143.7 Ų143.783%0.83182%0.819SS**PPolyproline II helixtrans-99.6169.5153.736.5-28.6000111
483S31.3Very low31.9Very low119 Ų119145 Ų14583%0.83282%0.819SS**  trans-127.4170-174.758.10000113.2
484A27.8Very low31.6Very low98 Ų98147.7 Ų147.781%0.8183%0.828SS**  trans91136163.300000119.4
485S28.3Very low31.2Very low113 Ų113141.2 Ų141.279%0.7981%0.809SS**  trans-65.2176.2170.6-400000112
486P39.4Very low30.8Very low107 Ų107139.6 Ų139.670%0.69580%0.804SS**  cis-151.3172.323.944.2-23.4000121.1
487L28.6Very low30.6Very low171 Ų171133.4 Ų133.490%0.89580%0.796SS**  trans77.6161.4144-84.6165.7000122.2
488A27.9Very low30.2Very low96 Ų96136.5 Ų136.579%0.79380%0.801SS**  trans83.8148.9173.800000118.2
489L32.1Very low30.4Very low161 Ų161136.9 Ų136.984%0.84380%0.796SS**  trans-128.6167.1-166.2-72.7167.2000111.7
490H28.4Very low30.2Very low182 Ų182136.4 Ų136.484%0.84379%0.793SS**  trans130.3107.9156.2-72.6-67.2000109.8
491A26.3Very low29.9Very low86 Ų86130.4 Ų130.471%0.71179%0.787SS**  cis83.699.740.300000114.7
492S28.6Very low29.6Very low112 Ų112130 Ų13078%0.78378%0.784SS**  148.7151.8118.5-61.10000114.6
493R25.6Very low29.3Very low218 Ų218130.2 Ų130.282%0.82378%0.783SS**  trans67112.9160.6-52.9-164.1-177.8-79.1-4.6119.6
494L27.6Very low29.9Very low182 Ų182130.3 Ų130.395%0.95378%0.781SS**  -119.5161.4108.7-75.9178.8000109.1
495S26.6Very low29.9Very low75 Ų75131.3 Ų131.352%0.52478%0.782SS.*  trans-164.2170.4178.6-163.80000107.9
496H27.8Very low30.3Very low171 Ų171131.1 Ų131.179%0.79278%0.778SS**  trans65.9145.8-172.9-30.5-66.3000110.5
497S27Very low29.7Very low102 Ų102130.6 Ų130.671%0.71378%0.783SS**  cis169.7153.7-1.637.20000102.8
498E29.5Very low29.6Very low183 Ų183130.2 Ų130.286%0.85578%0.781SS**  cis-150.3-167.119.1-125.2176.986.900108.4
499P36.1Very low29.7Very low99 Ų99130.7 Ų130.764%0.64378%0.778SS**PPolyproline II helixtrans-98171.5-160.841.1-41.7000115.8
500P28.9Very low29.7Very low122 Ų122129.7 Ų129.779%0.79278%0.779SS**PPolyproline II helixtrans-87.3147.9144.134.9-29.2000111.5
501S26.2Very low29.7Very low115 Ų115130.4 Ų130.480%0.80478%0.782SS**PPolyproline II helixtrans-66.6156.5-177.8-171.10000113.6
502A32.9Very low29.9Very low89 Ų89131.4 Ų131.474%0.73678%0.784SS**PPolyproline II helixtrans-70.5155.6157.200000111.2
503T29.2Very low30.2Very low134 Ų134133.3 Ų133.382%0.82279%0.785SS**  trans-136.2146.7160.2410000109.3
504P42.3Very low30.1Very low121 Ų121128.8 Ų128.879%0.78679%0.787SS**  trans-94172-169.238.3-37000113.3
505S28.9Very low30.3Very low119 Ų119125.6 Ų125.683%0.83278%0.78SS**  trans-138.9152.6160.2-85.50000110
506P36.2Very low30.2Very low108 Ų108130.6 Ų130.670%0.70180%0.795SS**  -118.5160.5-127.939.7-32.8000115.5
507A27.1Very low30.1Very low96 Ų96127.9 Ų127.979%0.79380%0.795SS**  trans-73.6144155.400000109.8
508L27Very low30Very low163 Ų163129.1 Ų129.185%0.85380%0.804SS**  trans-107.5137.4165.5-67.8-179.6000109.8
509S29.4Very low30Very low106 Ų106124.8 Ų124.874%0.74179%0.794SS**  trans-147.6133.8169.4-78.20000108.7
510V33.2Very low29.7Very low141 Ų141128.3 Ų128.386%0.85580%0.801SS**  trans52.1123.9166.3-59.40000118.7
511E27Very low29.5Very low196 Ų196128.5 Ų128.592%0.91680%0.801SS**  trans-121.4136.8141.6-85.9-159.180.500110.7
512S31.8Very low29.7Very low107 Ų107127.8 Ų127.875%0.74880%0.802SS**  trans-177.7133.6178.4-77.70000103.9
513L33.2Very low29.4Very low152 Ų152127.7 Ų127.780%0.79681%0.809SS**  cis-146.5167.325.2-62.1161000110.4
514S24.3Very low29.4Very low124 Ų124125.4 Ų125.487%0.86781%0.813SS**  trans-154.1160.4133.9-85.20000110.1
515S32.9Very low28.9Very low115 Ų115128.1 Ų128.180%0.80482%0.815SS**  trans-148.1137.6-170.6-55.60000112.7
516E24.6Very low29Very low179 Ų179128.8 Ų128.884%0.83681%0.808SS**  trans-132.8114.8161.852.2-173.4100.200106.5
517S24.3Very low28.7Very low115 Ų115131.1 Ų131.180%0.80481%0.814SS**  74.899.761.880.90000113.7
518S25.9Very low28.8Very low128 Ų128134.8 Ų134.890%0.89582%0.815SS**  trans-130.1163.2150.1-166.80000108.8
519S29.8Very low30.3Very low92 Ų92131.8 Ų131.864%0.64381%0.805SS**  trans-124.9174.1-141.262.70000116.1
520Q29.1Very low31.5Very low172 Ų172132.3 Ų132.380%0.80481%0.806SS**  trans86.1134.9172.3-52.7176.538.300115.5
521T25.3Very low31.4Very low126 Ų126130.3 Ų130.377%0.77380%0.804SS**  cis-157.8141.8-5.96.90000113.1
522A29.5Very low32.1Very low101 Ų101127.4 Ų127.484%0.83580%0.8SS**  trans38.9118.5145.300000123.3
523G27.5Very low32.8Very low86 Ų86128.5 Ų128.589%0.88780%0.804SS**  112138.2120.700000119.3
524G29.3Very low32.7Very low87 Ų87130.7 Ų130.790%0.89781%0.807SS**  trans126.5109.6156.600000116.9
525E30Very low33.2Very low177 Ų177130.7 Ų130.783%0.82781%0.807SS**  trans-76.3158.5-177.8-148.4-178.5106.800115.3
526L31Very low33.4Very low133 Ų133129.9 Ų129.970%0.69680%0.801SS**  trans97.2124.6133.1-155.764.8000123.4
527L31.1Very low33.8Very low158 Ų158126.6 Ų126.683%0.82780%0.798SS**  trans77.6175.9151-81.8169.9000123.3
528E28.4Very low34.5Very low173 Ų173129.5 Ų129.581%0.80880%0.799SS**  trans-105.4-158.2-152.6-136.1-159.2107.200113.5
529P59.7Low35.9Very low100 Ų100129.2 Ų129.265%0.64979%0.794SS**  trans-101.5-161.4-146.147.4-33.8000112.5
530P53.8Low36.2Very low116 Ų116128.6 Ų128.675%0.75380%0.795SS**  cis-139.6-170.1-2.243.8-24.9000116.7
531A30.8Very low36.4Very low100 Ų100126.6 Ų126.683%0.82679%0.794SS**  trans81.8164.9149.500000122.2
532V41.1Very low36.7Very low135 Ų135129.1 Ų129.182%0.81880%0.797SS**  trans-89.8156.2-167.8-126.50000113.5
533P46.5Very low37.1Very low129 Ų129128.1 Ų128.184%0.83879%0.789SS**  -152.2-152.188.641.3-20.5000116.3
534K32.8Very low38.1Very low198 Ų198130.4 Ų130.486%0.86179%0.787SS**  trans-106158.1-163.1-64.6174172.5175.20116.4
535S34.8Very low38Very low125 Ų125129.1 Ų129.187%0.87478%0.775SS**  trans68159.8152.3-1220000117.6
536S37.2Very low38.2Very low97 Ų97127.3 Ų127.368%0.67878%0.776SS**  cis-147.4178.69.558.30000111
537S32.7Very low39.1Very low110 Ų110127 Ų12777%0.76978%0.782SS**  -177162.469.2-55.20000113.1
538E38.9Very low38.9Very low177 Ų177123.4 Ų123.483%0.82778%0.782SS**  trans-95-169.9175.8-57.4169.965.600113.2
539P54.4Low38.8Very low122 Ų122122.8 Ų122.879%0.79279%0.785SS**  -149.6150.182.838.5-20.3000118.6
540A36.6Very low38.3Very low79 Ų79122.9 Ų122.965%0.65379%0.785SS**  trans64.7137144.900000120.2
541V33.5Very low37.3Very low130 Ų130124.3 Ų124.379%0.78879%0.791SS**  cis-160.3-176.2-7.7-90.90000106.6
542H30.2Very low37.2Very low179 Ų179123 Ų12383%0.82979%0.788SS**  cis-156.8-157.415.1-145.2-10.1000112.6
543A39.1Very low36.6Very low80 Ų80124.7 Ų124.766%0.66179%0.792SS**  trans-152.2-171179.500000109.6
544P49.1Very low35.6Very low133 Ų133123.2 Ų123.286%0.86478%0.784SS**  cis-128.7178.410.442.6-25.8000115.5
545G27.3Very low35.4Very low61 Ų61119.4 Ų119.463%0.62978%0.778SS**  cis160.8154.6-13.500000115.3
546T32.9Very low35.2Very low139 Ų139119.7 Ų119.785%0.85377%0.769SS**  trans59.8160.1150.540.10000122.5
547P50.2Low35Very low127 Ų127120.4 Ų120.483%0.82578%0.775SS**  cis-134.3167.1-22.436.6-19.8000115.1
548G26.4Very low35Very low81 Ų81120.9 Ų120.984%0.83578%0.778SS**  trans160.9123.4162.200000117.1
549N27.6Very low34.4Very low161 Ų161121.1 Ų121.186%0.86178%0.784SS**  trans-143177.4171.2-132.2-8.2000106.3
550P49.1Very low33.3Very low101 Ų101120.4 Ų120.466%0.65679%0.788SS**  cis-142.4-174.816.244.2-23.7000117.1
551V31.1Very low32.8Very low146 Ų146122.4 Ų122.489%0.88580%0.798SS**  trans33.5131.6140.6175.20000121
552G28.9Very low32.7Very low73 Ų73121 Ų12175%0.75379%0.794SS**  trans-169.1151.4160.900000115.1
553L28.8Very low32.7Very low171 Ų171115.9 Ų115.990%0.89579%0.789SS**  trans-122.6163.3175.3-83.1165.7000110.5
554S26.9Very low32.3Very low97 Ų97119.5 Ų119.568%0.67879%0.792SS**  trans75.6119154.2-58.60000121.6
555T28.1Very low31.3Very low118 Ų118120 Ų12072%0.72479%0.787SS**  trans67.1160130.561.80000123.1
556N29.1Very low31.3Very low131 Ų131123.2 Ų123.270%0.70179%0.794SS**  trans60.481.815954.5-102.9000120.5
557S34Very low31.3Very low113 Ų113123.8 Ų123.879%0.7979%0.787SS**  43.8121.8120.7-49.80000122.4
558S32.2Very low31Very low120 Ų120123.2 Ų123.284%0.83978%0.784SS**  trans67.6122.5136.8-560000121.2
559L27.8Very low31.1Very low181 Ų181128.9 Ų128.995%0.94878%0.78SS**  trans-121.8148.2150.5-71.9174.7000109.4
560A29.6Very low31.1Very low108 Ų108126.3 Ų126.389%0.89377%0.769SS**  trans-123.6160.6171.800000109.7
561S26Very low30Very low121 Ų121128.4 Ų128.485%0.84677%0.77SS**  trans-117.1131.7170.8-175.10000109.7
562S32.8Very low29.9Very low101 Ų101129.2 Ų129.271%0.70677%0.765SS**  trans-63.7158.5174-47.80000111.6E564S562-E564 WeakPolarHBondContact CB-OE2 3.47Å
563G30.1Very low29.9Very low71 Ų71132 Ų13273%0.73277%0.767SS**  cis-168.3-145.66.700000109.4
564E29.7Very low30.4Very low156 Ų156129.5 Ų129.573%0.72976%0.762SS**  cis178.1158.2-15-110.3173.383.900106.5S562S562-E564 WeakPolarHBondContact CB-OE2 3.47Å
565L29.6Very low30.4Very low143 Ų143133.5 Ų133.575%0.74977%0.769SS**  cis-159.4150.6-3.6-178.965.6000108.7
566V27.2Very low30.4Very low129 Ų129132.3 Ų132.378%0.78277%0.771SS**  trans148.7124.8134.9168.90000112
567E31.2Very low30.5Very low150 Ų150131.6 Ų131.670%0.70178%0.777SS**  trans-108.2156171.5-113.8-84.3123.200108R569E567-R569 PolarHBondContact OE2-N 3.45Å
568P44.3Very low31.1Very low116 Ų116132.6 Ų132.675%0.75378%0.78SS**  -153.5133.883.936.6-15.7000118.4
569R28.5Very low30.8Very low199 Ų199129.9 Ų129.975%0.75177%0.772SS**  36.8133.9112.3-159-164.1176-165-2.1120.2E567E567-R569 PolarHBondContact OE2-N 3.45Å
570V28.2Very low30.9Very low107 Ų107130.4 Ų130.465%0.64878%0.775SS**  150.2107.4128.1167.90000113.3
571E25.1Very low31Very low145 Ų145129.7 Ų129.768%0.67877%0.769SS**  trans53.5144.6137.1-61.8-160.98500127
572Q29.1Very low32.2Very low163 Ų163129.1 Ų129.176%0.76276%0.762SS**  trans71.2126140.7-75.717651.300122.6
573T28.8Very low32.1Very low131 Ų131134.4 Ų134.480%0.80477%0.767SS**  trans-61.8155.8160.7-15.30000111.9
574P39.2Very low32.2Very low120 Ų120135.8 Ų135.878%0.77976%0.761SS**  -148.2162.499.737.6-21.5000117.8
575Q28.1Very low32.4Very low180 Ų180140 Ų14084%0.84177%0.77SS**  trans-14.7139.2156.1-72.1-86.4-26.500119.6
576A27Very low32.3Very low93 Ų93136.5 Ų136.577%0.76977%0.769SS**  154.6145.8111.700000114.8
577S32.3Very low32.6Very low116 Ų116136.3 Ų136.381%0.81177%0.773SS**  trans-93-178.1160.3-40.70000109.5
578P46.9Very low33.5Very low134 Ų134135.5 Ų135.587%0.8778%0.781SS**  cis-120.5-164.66.841.6-23.4000111.8
579G25.7Very low32.8Very low64 Ų64133.2 Ų133.266%0.6678%0.778SS**  cis135.3158.6-1.100000112.3
580L28.7Very low33.7Very low192 Ų192129.6 Ų129.6100%1.00578%0.78SS**  trans87.2159-179.7-53.8175.1000118.5
581A32.5Very low33.9Very low93 Ų93132.7 Ų132.777%0.76979%0.788SS**  trans-119.2-146.1-173.100000109.6
582P51.8Low35Very low109 Ų109131.4 Ų131.471%0.70879%0.792SS**  cis-142.3-162.8-0.835.7-10.3000116.2
583R30.7Very low34.9Very low212 Ų212127.7 Ų127.780%0.879%0.789SS**  trans100.9155154.1-57.2-148.2151.9-137.5-4.5119.9
584T32Very low35.1Very low100 Ų100130.5 Ų130.561%0.61379%0.79SS**  cis-169.1146.9-40.3410000111.8
585R32.7Very low35.3Very low244 Ų244130.8 Ų130.892%0.92179%0.792SS**  trans73.7129.3145.4-173.9-165.9-61-107.20.3120.8
586G27.9Very low35.3Very low70 Ų70127.1 Ų127.172%0.72279%0.785SS**  trans160.9137154.400000115.8
587S34.4Very low35.4Very low124 Ų124128.9 Ų128.987%0.86779%0.792SS**  trans-149.6157.7173-47.90000109.7
588P49.7Very low35.1Very low134 Ų134127.3 Ų127.387%0.8780%0.795SS**  -150.3-177.496.238.7-20.3000115.2
589G29Very low34.3Very low67 Ų67125.9 Ų125.969%0.69179%0.794SS**  trans-124.4-179.917000000112.4
590P48.3Very low34.4Very low123 Ų123129.1 Ų129.180%0.79980%0.801SS**  -154.1152.3105.938.7-21.3000118.1
591Q32.2Very low34.8Very low172 Ų172125.7 Ų125.780%0.80479%0.79SS**  trans36.9147.4137.9-58.6-58-29.900121.9
592P47Very low34.8Very low118 Ų118126.6 Ų126.677%0.76679%0.786SS**  cis-116.5-151.324.531.4-9.3000112.1
593A27.6Very low34.5Very low86 Ų86127.7 Ų127.771%0.71179%0.793SS**  cis-156.2-174.31100000114.1
594K33.2Very low34.5Very low189 Ų189124.3 Ų124.382%0.82279%0.79SS**  trans-165.2172.4-179.8-113.1168.9-172.5176.60108.9
595P43.6Very low34.3Very low127 Ų127127.5 Ų127.583%0.82580%0.803SS**  cis-145.8-156.646.342.9-20.4000116.1
596C28Very low34.3Very low102 Ų102122.5 Ų122.569%0.68979%0.794SS**  trans-122-176.2-164.8-44.80000113.9
597S29.8Very low34.4Very low130 Ų130125.8 Ų125.891%0.90980%0.8SS**  trans98.3144.9150.3-52.50000119.4
598G26.3Very low34.1Very low84 Ų84123.2 Ų123.287%0.86679%0.793SS**  trans159.5127.2168.400000112.9
599A29.3Very low32.9Very low103 Ų103123.3 Ų123.385%0.85179%0.786SS**  trans-119178.9-167.300000115.1
600T26.7Very low33Very low132 Ų132130.2 Ų130.281%0.8179%0.791SS**  trans-66.3158.9178.9-22.40000114.5
601P39.1Very low32Very low120 Ų120129.6 Ų129.678%0.77979%0.789SS**  trans-94.8150.8157.935.3-33.2000113.5
602T30.9Very low32.7Very low113 Ų113126.7 Ų126.769%0.69379%0.785SS**  trans-111.1175.6174.7-22.10000110.7L604T602-L604 HydrophobicContact CG2-CD2 4.11Å; T602-L604 HydrophobicContact CG2-CG 4.41Å
603P45.2Very low31.8Very low131 Ų131127.1 Ų127.185%0.85179%0.785SS**  -138.2170.4107.137.4-25.6000114.6
604L30.9Very low32.6Very low141 Ų141128 Ų12874%0.73878%0.784SS**  trans-117.2154.4-162.1-64.5167.6000114.1T602T602-L604 HydrophobicContact CG2-CD2 4.11Å; T602-L604 HydrophobicContact CG2-CG 4.41Å
605L27.8Very low32.6Very low167 Ų167124.4 Ų124.487%0.87478%0.783SS**  trans-142.9156.5141.9-68.4178.4000108.2
606L33.3Very low32.7Very low140 Ų140124.5 Ų124.573%0.73378%0.783SS**  -170.4136.9-55.9-120.9175.2000106.2
607V29.3Very low32.6Very low139 Ų139123.4 Ų123.484%0.84279%0.789SS**  trans64.6137.2170.4-1690000117.1
608G28Very low32.5Very low70 Ų70122.8 Ų122.872%0.72279%0.785SS**  trans-142.6166.315300000108.7
609D26.3Very low32.5Very low135 Ų135124 Ų12472%0.72278%0.78SS**  trans-154.2157.2168.6-159.212.6000112.8
610R29.3Very low32.4Very low213 Ų213124.5 Ų124.580%0.80478%0.777SS**  trans57.8109158.8-81.4157-167.4-85-8.9123.1
611S27.8Very low33.2Very low109 Ų109123.6 Ų123.676%0.76277%0.774SS**  trans-65.3-176.5140.8-34.30000112
612P46.8Very low32.6Very low111 Ų111125.8 Ų125.872%0.72177%0.774SS**  cis-142167.42.342.9-23.9000118.4
613V28.3Very low32.4Very low127 Ų127127.2 Ų127.277%0.7778%0.776SS**  16.1147.3124.9-175.10000119
614P45.4Very low31.6Very low106 Ų106128.3 Ų128.369%0.68877%0.77SS**  cis-140.3157.313.423.42.5000120.9
615S32.1Very low31.5Very low113 Ų113128.2 Ų128.279%0.7978%0.775SS**  trans57.4-171.7132-47.20000121.4
616P45.8Very low31.6Very low129 Ų129129.3 Ų129.384%0.83877%0.773SS**  -130.2164.4-84.240.5-25.3000116.1
617G26.3Very low31.5Very low79 Ų79127.5 Ų127.581%0.81477%0.772SS**  trans-173.8130.8169.800000116.4
618S27.1Very low31.4Very low117 Ų117126.7 Ų126.782%0.81877%0.772SS**  trans-66.2154.8172.1-164.50000111.1
619S27.3Very low31.4Very low108 Ų108129.3 Ų129.376%0.75578%0.778SS**  cis-157.9169.133-46.80000114.4
620S27.2Very low31.6Very low114 Ų114133 Ų13380%0.79779%0.788SS**  trans-47165.2165.4-57.60000115.5
621P42.5Very low31.9Very low113 Ų113130.8 Ų130.873%0.73479%0.787SS**  cis-146.4171.125.844.1-24.9000120.2
622Q26.8Very low32.1Very low167 Ų167132.6 Ų132.678%0.7879%0.788SS**  trans60.2118.4140.2179.6177.5-14.500120.7
623L27.7Very low31.7Very low142 Ų142132.6 Ų132.674%0.74379%0.788SS**  -166.8119.5129.5-106.4174.6000114.8
624Q28.6Very low32Very low154 Ų154136 Ų13672%0.7279%0.793SS**  trans29.7123.2145.5-66.7171.910.100122.7
625V28.4Very low31.6Very low139 Ų139138.6 Ų138.684%0.84280%0.8SS**  trans-62.1136.7159.5174.70000111.9
626K28.7Very low31.9Very low191 Ų191144 Ų14483%0.8380%0.803SS**  trans-137.9119.1153.4-76.3-167.8177.51780112.3
627S32.1Very low31.3Very low102 Ų102147.7 Ų147.771%0.71381%0.806SS**  trans-75.1143.216352.10000111
628S27.2Very low32.1Very low121 Ų121149.8 Ų149.885%0.84681%0.806SS**  trans-147.6137.3157.1-169.70000110.6
629C27.8Very low32.2Very low126 Ų126149.8 Ų149.885%0.85181%0.805SS**  trans-68.1160.7177.3-51.40000111.1
630K31.5Very low33.1Very low213 Ų213150.7 Ų150.793%0.92681%0.809SS**  trans-104.9118.9175.7-165.7158.7-175173.20111
631E34.3Very low33.6Very low166 Ų166150.1 Ų150.178%0.77681%0.811SS**  trans-84.3150.4-172.5-166.1174.897.200112.3
632N33.3Very low33.6Very low147 Ų147149.1 Ų149.179%0.78681%0.812SS**  trans-81.1126.8-174.4-162.83.7000111.3F634N632-F634 PolarHBondContact O-N 2.87Å
633P37.5Very low34Very low111 Ų111146.5 Ų146.572%0.72181%0.812SS**  trans-97.172-155.438-37.3000114.8
634F35Very low35Very low199 Ų199145.8 Ų145.887%0.87382%0.816SS**  trans-131.530.8174.5-105-70.6000116.5N632N632-F634 PolarHBondContact O-N 2.87Å
635N36.3Very low35.9Very low159 Ų159145 Ų14585%0.8582%0.822SS**  trans-153.982.3168-138.5-22.5000115.7
636R38.9Very low36.2Very low227 Ų227145.1 Ų145.186%0.85782%0.823SS**  trans-148.1103.9164-71.4-163.1-177.3-163.80.4114.2
637K33.9Very low37.1Very low207 Ų207145.5 Ų145.590%0.982%0.824SS**  trans-131.5148.4131.4-79.8-162176.3-179.10109.2
638P41.7Very low37.7Very low123 Ų123150.7 Ų150.780%0.79983%0.834SS**  trans-95.9160.5-15536.8-36.6000114.4
639S29.1Very low38.3Very low116 Ų116149.9 Ų149.981%0.81184%0.835SS**  trans-108.4142.4159.9-68.80000110
640P47.1Very low39.3Very low128 Ų128150.7 Ų150.783%0.83184%0.836SS**PPolyproline II helixtrans-82.3166.8-175.233.9-36.5000113.6
641A36.4Very low40.1Very low101 Ų101150.6 Ų150.684%0.83584%0.836SS**PPolyproline II helixtrans-83.1162.7175.900000113.2
642A42.9Very low40.8Very low92 Ų92145.8 Ų145.876%0.7683%0.831SS**PPolyproline II helixtrans-67.9154.6-17700000113.3
643S36.5Very low41.8Very low112 Ų112144.5 Ų144.578%0.78383%0.834SS**  177.617979.8-61.10000109.5
644P47.2Very low42.6Very low127 Ų127148.4 Ų148.483%0.82584%0.839SS**  cis-125.5-158-7.740.3-22.6000112.9
645V47.6Very low43.4Very low138 Ų138144.8 Ų144.884%0.83684%0.836SS**  trans-91130.9-171.3175.40000114.4
646T35.8Very low44.6Very low142 Ų142143.7 Ų143.787%0.87183%0.834SS**  trans-138.4155.6156.6390000113.8
647K47Very low45.6Very low198 Ų198143.7 Ų143.786%0.86183%0.834SS**  trans-77146.7-156.9-60.4156-179170.20115.4
648K45.3Very low46.9Very low211 Ų211139.1 Ų139.192%0.91783%0.826SS**  trans43.1117.4148.6-70.4-174.8175.2-177.20119.8
649A40.3Very low47.7Very low105 Ų105138.6 Ų138.687%0.86882%0.822SS**  trans-148.2173142.100000111.7
650T48Very low49.1Very low143 Ų143137.5 Ų137.588%0.87782%0.82SS**  trans-54.8155.5-162.9-14.50000118.3G652T650-G652 PolarHBondContact O-N 3.44Å; T650-G652 VanDerWaalsContact O-N 3.11Å
651K49.3Very low49.5Very low210 Ų210135.7 Ų135.791%0.91381%0.809SS**  trans-68.293.2175.6177.6-167.5174.3-171.20112.3
652G47.3Very low50.7Low65 Ų65133.8 Ų133.867%0.6780%0.798SS**PPolyproline II helixtrans-77.2146.6162.900000112.2T650T650-G652 PolarHBondContact O-N 3.44Å; T650-G652 VanDerWaalsContact O-N 3.11Å
653S54.1Low51.4Low121 Ų121134.7 Ų134.785%0.84679%0.787SS**PPolyproline II helixtrans-67.6138.9167.834.60000110.2
654K54.3Low52.4Low192 Ų192132.3 Ų132.384%0.83578%0.78SS**PPolyproline II helixtrans-69.5142.6171-67.9-171.8176.7-170.70109.3V656K654-V656 PolarHBondContact O-N 2.9Å
655P53.2Low53.1Low124 Ų124133 Ų13381%0.80577%0.77SS**PPolyproline II helixtrans-56128.4163.7-20.932.4000109.2R657P655-R657 PolarHBondContact O-N 2.91Å
656V60Low54.1Low135 Ų135131.7 Ų131.782%0.81877%0.765SS**PPolyproline II helixtrans-65.5129.2166.7174.50000106.4K654K654-V656 PolarHBondContact O-N 2.9Å
657R61.8Low56.2Low228 Ų228127.5 Ų127.586%0.8674%0.736SS**PPolyproline II helixtrans-56.2131.7167.2-104.4-174.9179.7167.3-1.6106.5P655P655-R657 PolarHBondContact O-N 2.91Å
658P59.4Low57.9Low110 Ų110124.6 Ų124.671%0.71473%0.729SS**PPolyproline II helixtrans-53.4144.1170.325.4-33.7000108.5
659P60.2Low59.5Low113 Ų113118.6 Ų118.673%0.73470%0.703SS**PPolyproline II helixtrans-53.3149.2173.324.2-33.1000109.3
660A57.1Low61.4Low92 Ų92117.7 Ų117.776%0.7668%0.677SS**PPolyproline II helixtrans-52.2128.8170.200000107.9G662A660-G662 PolarHBondContact O-N 3.3Å
661P56.8Low62.8Low91 Ų91119.6 Ų119.659%0.59167%0.673SS**PPolyproline II helixtrans-53.9117.9-176.4-29.436.6000110.8F665P661-F665 HydrophobicContact CB-CD2 3.46Å; P661-F665 VanDerWaalsContact CB-CD2 3.46Å; P661-F665 HydrophobicContact CB-CE2 3.39Å; P661-F665 HydrophobicContact CB-CZ 4.41Å; P661-F665 HydrophobicContact CG-CD2 4.09Å; P661-F665 HydrophobicContact CG-CE2 3.55Å; P661-F665 HydrophobicContact CG-CZ 4.15Å
662G60.2Low64.1Low60 Ų60110.9 Ų110.962%0.61964%0.638SS**PPolyproline II helixtrans-65.9170175.500000111.7A660 G664A660-G662 PolarHBondContact O-N 3.3Å; G662-G664 PolarHBondContact O-N 3.45Å
663H58.6Low64.7Low112 Ų112116 Ų11652%0.51964%0.644SS.*SBendtrans-22.1117.1178.6-60.6-66.5000114.8N766H663-N766 WeakPolarHBondContact CB-O 3.44Å; H663-N766 PolarHBondContact ND1-O 3.26Å
664G56.2Low65.5Low62 Ų62112.1 Ų112.164%0.63962%0.619SS**  trans133.30.4-178.300000116.1G662 N766G662-G664 PolarHBondContact O-N 3.45Å; G664-N766 PolarHBondContact N-OD1 3.46Å
665F62.3Low66Low140 Ų140111.4 Ų111.461%0.61463%0.625SS**SBendtrans-71.4138.4167.5-111.9-111.9000110.8P661 L667P661-F665 HydrophobicContact CB-CD2 3.46Å; P661-F665 VanDerWaalsContact CB-CD2 3.46Å; P661-F665 HydrophobicContact CB-CE2 3.39Å; P661-F665 HydrophobicContact CB-CZ 4.41Å; P661-F665 HydrophobicContact CG-CD2 4.09Å; P661-F665 HydrophobicContact CG-CE2 3.55Å; P661-F665 HydrophobicContact CG-CZ 4.15Å; F665-L667 PolarHBondContact O-N 3.28Å; F665-L667 VanDerWaalsContact O-N 3.1Å
666P70Confident67.2Low112 Ų112113.9 Ų113.973%0.72763%0.625SS**  trans-60.3115.4175.1-23.834.2000110.9I668P666-I668 PolarHBondContact O-N 3.11Å
667L79.8Confident68.5Low53 Ų53113 Ų11328%0.27761%0.608SS.*PPolyproline II helixtrans-71.9129.4173.5-73.7165.8000109.4F665 Y759 R762 C763 N766F665-L667 PolarHBondContact O-N 3.28Å; F665-L667 VanDerWaalsContact O-N 3.1Å; L667-Y759 HydrophobicContact CB-CE2 3.86Å; L667-R762 VanDerWaalsContact CD1-C 3.49Å; L667-R762 HydrophobicContact CD1-CB 4.24Å; L667-R762 VanDerWaalsContact CD1-O 3.24Å; L667-R762 WeakPolarHBondContact CD1-O 3.36Å; L667-R762 HydrophobicContact CD2-CB 4.3Å; L667-C763 VanDerWaalsContact CD1-CA 3.46Å; L667-C763 HydrophobicContact CD1-CB 4.21Å; L667-N766 HydrophobicContact CD1-CB 3.75Å
668I81.6Confident69.8Low138 Ų138104.7 Ų104.771%0.70858%0.58SS**PPolyproline II helixtrans-96.5125.1174-60.4174.3000107.6P666 R670 R762P666-I668 PolarHBondContact O-N 3.11Å; I668-R670 PolarHBondContact O-N 3.05Å; I668-R762 PolarHBondContact O-NH1 2.95Å; I668-R762 PolarHBondContact O-NH2 3Å
669K79.6Confident71.4Confident85 Ų85101.3 Ų101.337%0.3756%0.558SS.*PPolyproline II helixtrans-65.4126.7168.9-173.7172.8179.2-1790108.3K671 D756 Y759K669-K671 PolarHBondContact O-N 2.81Å; K669-D756 WeakPolarHBondContact CE-OD1 3.41Å; K669-D756 IonicContact NZ-OD1 2.64Å; K669-D756 PolarHBondContact NZ-OD1 3.21Å; K669-D756 IonicContact NZ-OD2 2.81Å; K669-D756 PolarHBondContact NZ-OD2 3.26Å; K669-Y759 VanDerWaalsContact CA-CD2 3.43Å; K669-Y759 HydrophobicContact CB-CD1 4.3Å; K669-Y759 HydrophobicContact CB-CD2 3.67Å; K669-Y759 HydrophobicContact CB-CE2 3.92Å; K669-Y759 HydrophobicContact CB-CG 3.86Å; K669-Y759 HydrophobicContact CD-CD1 4.26Å; K669-Y759 HydrophobicContact CD-CG 4.36Å; K669-Y759 HydrophobicContact CG-CD1 4.29Å; K669-Y759 HydrophobicContact CG-CD2 4.2Å; K669-Y759 HydrophobicContact CG-CG 3.89Å
670R79.3Confident72.8Confident86 Ų86100.1 Ų100.133%0.32554%0.543SS..PPolyproline II helixtrans-69.4128.2178.264.9177.517783.4-9.7108I668 A755 E758I668-R670 PolarHBondContact O-N 3.05Å; R670-A755 HydrophobicContact CG-CB 3.97Å; R670-E758 IonicContact CZ-OE1 3.22Å; R670-E758 IonicContact CZ-OE2 3.24Å; R670-E758 VanDerWaalsContact CZ-OE2 3.28Å; R670-E758 IonicContact NE-OE1 3.13Å; R670-E758 IonicContact NE-OE2 3.16Å; R670-E758 PolarHBondContact NE-OE2 2.8Å; R670-E758 IonicContact NH2-OE1 3.42Å; R670-E758 PolarHBondContact NH2-OE1 3.14Å; R670-E758 IonicContact NH2-OE2 2.73Å; R670-E758 PolarHBondContact NH2-OE2 2.79Å
671K77.8Confident74.5Confident182 Ų182102.4 Ų102.479%0.79154%0.538SS*.PPolyproline II helixtrans-74.1133.2163-71.2-163.1172.1-161.90107.4K669 Q673K669-K671 PolarHBondContact O-N 2.81Å; K671-Q673 HydrophobicContact CB-CG 4.48Å; K671-Q673 PolarHBondContact O-N 2.61Å
672V76.2Confident76.2Confident28 Ų28102.7 Ų102.717%0.1754%0.535CS..  trans-68.7113.2166.9-176.20000106.8E751 A755V672-E751 HydrophobicContact CG1-CB 4.21Å; V672-E751 WeakPolarHBondContact CG2-O 3.22Å; V672-A755 HydrophobicContact CG2-CB 3.69Å
673Q61Low77.7Confident173 Ų173100 Ų10081%0.80851%0.506SS*.  trans-122.480.2168.4-69.2-164-56.900106.9K671K671-Q673 HydrophobicContact CB-CG 4.48Å; K671-Q673 PolarHBondContact O-N 2.61Å
674A69.7Low79.2Confident39 Ų3999.5 Ų99.532%0.32250%0.503SS..  trans-75.3135.7161.600000108Q676 Y677A674-Q676 PolarHBondContact O-N 3.06Å; A674-Y677 WeakPolarHBondContact O-CB 3.38Å; A674-Y677 PolarHBondContact O-N 2.78Å
675D66.2Low80.9Confident177 Ų17798.1 Ų98.195%0.94749%0.49SS*.THydrogen-bonded Turntrans-64.6-5.5175.4-68.6-39.7000113.1
676Q78.1Confident82.4Confident175 Ų17594.7 Ų94.782%0.81848%0.476SS*.THydrogen-bonded Turntrans-116.517.3177.8-62-177.887.700113A674 I678A674-Q676 PolarHBondContact O-N 3.06Å; Q676-I678 PolarHBondContact O-N 3.37Å
677Y87.3Confident83.4Confident116 Ų11690.9 Ų90.946%0.45545%0.448SS..  trans-65122174.6-178.2-84.7000110.8A674 P679 Q748A674-Y677 WeakPolarHBondContact O-CB 3.38Å; A674-Y677 PolarHBondContact O-N 2.78Å; Y677-P679 HydrophobicContact CE1-CG 4.46Å; Y677-Q748 HydrophobicContact CD2-CG 4.27Å
678I89.4Confident83.7Confident54 Ų5493 Ų9328%0.27746%0.46SS..  trans-107.8125.6173.6-52-179.2000107.5Q676 D682 I683 V744 Q748Q676-I678 PolarHBondContact O-N 3.37Å; I678-D682 HydrophobicContact CG2-CB 3.91Å; I678-I683 HydrophobicContact CB-CD1 4.28Å; I678-I683 HydrophobicContact CB-CG1 4.03Å; I678-I683 HydrophobicContact CG2-CG1 3.74Å; I678-V744 HydrophobicContact CD1-CG1 4.32Å; I678-Q748 VanDerWaalsContact N-NE2 3.11Å; I678-Q748 PolarHBondContact O-NE2 3.43Å; I678-Q748 PolarHBondContact O-OE1 2.99Å; I678-Q748 VanDerWaalsContact O-OE1 3.09Å
679P92.1Very high84.4Confident39 Ų3988.5 Ų88.525%0.25344%0.439SS..  trans-56145.9177.6-23.133.1000113Y677 E681 D682 I683Y677-P679 HydrophobicContact CE1-CG 4.46Å; P679-E681 VanDerWaalsContact CB-CD 3.49Å; P679-E681 HydrophobicContact CB-CG 4.08Å; P679-E681 WeakPolarHBondContact CB-OE2 3.42Å; P679-E681 PolarHBondContact O-N 3.03Å; P679-D682 HydrophobicContact CB-CB 4.46Å; P679-D682 WeakPolarHBondContact CD-OD2 3.36Å; P679-D682 WeakPolarHBondContact CG-OD2 3.31Å; P679-D682 PolarHBondContact O-N 3.26Å; P679-I683 PolarHBondContact O-N 2.8Å
680E90.1Very high85Confident89 Ų8984.5 Ų84.542%0.41642%0.422SS..Hα-helixtrans-58.8-37.1-179.8-63.1178.5-135.300111.4D682 I683 H684 F745E680-D682 VanDerWaalsContact C-N 3.31Å; E680-D682 PolarHBondContact O-N 3.38Å; E680-I683 PolarHBondContact O-N 2.76Å; E680-H684 PolarHBondContact O-N 3.35Å; E680-H684 PolarHBondContact O-ND1 3.16Å; E680-F745 HydrophobicContact CG-CD2 4.37Å; E680-F745 HydrophobicContact CG-CE2 3.99Å
681E91.8Very high85.4Confident140 Ų14082 Ų8265%0.65441%0.413SS*.Hα-helixtrans-63.5-33.5176.261.6-93-132.200113.4P679 G685P679-E681 VanDerWaalsContact CB-CD 3.49Å; P679-E681 HydrophobicContact CB-CG 4.08Å; P679-E681 WeakPolarHBondContact CB-OE2 3.42Å; P679-E681 PolarHBondContact O-N 3.03Å; E681-G685 PolarHBondContact O-N 3.21Å
682D94.3Very high86.1Confident97 Ų9780.6 Ų80.652%0.51940%0.403SS..Hα-helixtrans-77-38.3177.4-74.6-31.9000110.9I678 P679 E680 G685 E686I678-D682 HydrophobicContact CG2-CB 3.91Å; P679-D682 HydrophobicContact CB-CB 4.46Å; P679-D682 WeakPolarHBondContact CD-OD2 3.36Å; P679-D682 WeakPolarHBondContact CG-OD2 3.31Å; P679-D682 PolarHBondContact O-N 3.26Å; E680-D682 VanDerWaalsContact C-N 3.31Å; E680-D682 PolarHBondContact O-N 3.38Å; D682-G685 PolarHBondContact O-N 3.47Å; D682-E686 PolarHBondContact O-N 3.23Å
683I91.4Very high87Confident4 Ų485.6 Ų85.62%0.02142%0.419CS..Hα-helixtrans-60.9-51174.5-63.8174.3000110.4I678 P679 E680 G685 E686 M687 L741 V744 F745I678-I683 HydrophobicContact CB-CD1 4.28Å; I678-I683 HydrophobicContact CB-CG1 4.03Å; I678-I683 HydrophobicContact CG2-CG1 3.74Å; P679-I683 PolarHBondContact O-N 2.8Å; E680-I683 PolarHBondContact O-N 2.76Å; I683-G685 VanDerWaalsContact C-N 3.34Å; I683-G685 PolarHBondContact O-N 3.37Å; I683-E686 PolarHBondContact O-N 2.98Å; I683-M687 PolarHBondContact O-N 2.83Å; I683-L741 HydrophobicContact CG2-CB 4.22Å; I683-L741 HydrophobicContact CG2-CD2 4.27Å; I683-V744 HydrophobicContact CD1-CG1 4.15Å; I683-F745 HydrophobicContact CD1-CB 4.19Å; I683-F745 HydrophobicContact CD1-CD2 4.43Å; I683-F745 HydrophobicContact CG2-CB 4.35Å
684H88.6Confident88.4Confident100 Ų10077.4 Ų77.446%0.46338%0.381SS..Hα-helixtrans-64.1-38.7177.7-67.2104.8000111.7E680 E686 M687 D688E680-H684 PolarHBondContact O-N 3.35Å; E680-H684 PolarHBondContact O-ND1 3.16Å; H684-E686 PolarHBondContact O-N 2.97Å; H684-M687 WeakPolarHBondContact O-CB 3.43Å; H684-M687 PolarHBondContact O-N 3.22Å; H684-D688 PolarHBondContact O-N 3.13Å
685G92.6Very high89.4Confident34 Ų3477.4 Ų77.435%0.35138%0.375SS..Hα-helixtrans-66.2-32.9176.600000114.3E681 D682 I683 T689E681-G685 PolarHBondContact O-N 3.21Å; D682-G685 PolarHBondContact O-N 3.47Å; I683-G685 VanDerWaalsContact C-N 3.34Å; I683-G685 PolarHBondContact O-N 3.37Å; G685-T689 WeakPolarHBondContact O-CB 3.35Å; G685-T689 PolarHBondContact O-N 2.88Å; G685-T689 PolarHBondContact O-OG1 3.01Å
686E94.8Very high90.7Very high68 Ų6871.2 Ų71.232%0.31835%0.349SS..Hα-helixtrans-72.1-41170.2-162.8177.1170.500110.9D682 I683 H684 T689 I690 R737 L741D682-E686 PolarHBondContact O-N 3.23Å; I683-E686 PolarHBondContact O-N 2.98Å; H684-E686 PolarHBondContact O-N 2.97Å; E686-T689 CarbonylContact O-C 3.49Å; E686-T689 WeakPolarHBondContact O-CA 3.41Å; E686-T689 VanDerWaalsContact O-CB 3.27Å; E686-T689 WeakPolarHBondContact O-CB 3.46Å; E686-T689 PolarHBondContact O-N 3.01Å; E686-I690 HydrophobicContact CG-CD1 4.23Å; E686-I690 WeakPolarHBondContact O-CG1 3.5Å; E686-I690 PolarHBondContact O-N 3.42Å; E686-R737 IonicContact OE1-CZ 3.28Å; E686-R737 IonicContact OE1-NE 2.72Å; E686-R737 PolarHBondContact OE1-NE 3.34Å; E686-R737 IonicContact OE1-NH2 2.64Å; E686-R737 PolarHBondContact OE1-NH2 3.46Å; E686-R737 IonicContact OE2-CZ 3.01Å; E686-R737 IonicContact OE2-NE 3.11Å; E686-R737 IonicContact OE2-NH2 2.78Å; E686-R737 PolarHBondContact OE2-NH2 3.09Å; E686-L741 HydrophobicContact CB-CD1 3.84Å; E686-L741 HydrophobicContact CG-CD1 3.83Å
687M89.4Confident91.4Very high31 Ų3162.9 Ų62.915%0.15331%0.31CS..Hα-helixtrans-57.8-50.2175.4-156.268.273.400112.6I683 H684 T689 I690 E691 E738 L741 I742I683-M687 PolarHBondContact O-N 2.83Å; H684-M687 WeakPolarHBondContact O-CB 3.43Å; H684-M687 PolarHBondContact O-N 3.22Å; M687-T689 PolarHBondContact O-N 2.96Å; M687-T689 VanDerWaalsContact O-N 3.14Å; M687-I690 WeakPolarHBondContact O-CA 3.35Å; M687-I690 WeakPolarHBondContact O-CB 3.35Å; M687-I690 PolarHBondContact O-N 2.89Å; M687-E691 PolarHBondContact O-N 2.89Å; M687-E738 HydrophobicContact SD-CB 3.82Å; M687-E738 HydrophobicContact SD-CG 3.69Å; M687-L741 HydrophobicContact CE-CB 3.53Å; M687-L741 HydrophobicContact CE-CD1 4.28Å; M687-I742 HydrophobicContact CE-CD1 4.49Å; M687-I742 HydrophobicContact CE-CG1 3.8Å
688D87.5Confident91.6Very high98 Ų9857.5 Ų57.552%0.52429%0.289SS..Hα-helixtrans-57-29.8173.1-83.6-10.4000112.1H684 R692H684-D688 PolarHBondContact O-N 3.13Å; D688-R692 WeakPolarHBondContact O-CG 3.46Å; D688-R692 PolarHBondContact O-N 2.96Å; D688-R692 PolarHBondContact O-NE 3.16Å; D688-R692 PolarHBondContact O-NH2 3.48Å
689T94.6Very high91.8Very high43 Ų4361 Ų6126%0.26430%0.304SS..Hα-helixtrans-79.1-32177.5-59.40000112G685 E686 M687 R692 R693G685-T689 WeakPolarHBondContact O-CB 3.35Å; G685-T689 PolarHBondContact O-N 2.88Å; G685-T689 PolarHBondContact O-OG1 3.01Å; E686-T689 CarbonylContact O-C 3.49Å; E686-T689 WeakPolarHBondContact O-CA 3.41Å; E686-T689 VanDerWaalsContact O-CB 3.27Å; E686-T689 WeakPolarHBondContact O-CB 3.46Å; E686-T689 PolarHBondContact O-N 3.01Å; M687-T689 PolarHBondContact O-N 2.96Å; M687-T689 VanDerWaalsContact O-N 3.14Å; T689-R692 VanDerWaalsContact CA-NH2 3.31Å; T689-R692 PolarHBondContact OG1-NH2 3.34Å; T689-R693 VanDerWaalsContact O-CG 3.27Å; T689-R693 WeakPolarHBondContact O-CG 3.18Å; T689-R693 PolarHBondContact O-N 3.47Å
690I92.9Very high91.9Very high2 Ų264.4 Ų64.41%0.0131%0.312CS..Hα-helixtrans-71-50.2173.4-68.7160.8000110.3E686 M687 R692 R693 L694 L734 R737 E738 L741E686-I690 HydrophobicContact CG-CD1 4.23Å; E686-I690 WeakPolarHBondContact O-CG1 3.5Å; E686-I690 PolarHBondContact O-N 3.42Å; M687-I690 WeakPolarHBondContact O-CA 3.35Å; M687-I690 WeakPolarHBondContact O-CB 3.35Å; M687-I690 PolarHBondContact O-N 2.89Å; I690-R692 VanDerWaalsContact C-N 3.31Å; I690-R692 PolarHBondContact O-N 2.77Å; I690-R693 WeakPolarHBondContact O-CA 3.39Å; I690-R693 WeakPolarHBondContact O-CB 3.42Å; I690-R693 PolarHBondContact O-N 3.48Å; I690-L694 HydrophobicContact CG2-CD1 3.95Å; I690-L694 HydrophobicContact CG2-CG 4.21Å; I690-L694 WeakPolarHBondContact O-CG 3.48Å; I690-L694 PolarHBondContact O-N 3.36Å; I690-L734 HydrophobicContact CG1-CD2 4.21Å; I690-L734 HydrophobicContact CG2-CB 4.08Å; I690-L734 HydrophobicContact CG2-CD2 4.3Å; I690-L734 WeakPolarHBondContact CG2-O 3.4Å; I690-R737 HydrophobicContact CD1-CB 4.1Å; I690-R737 HydrophobicContact CD1-CG 3.7Å; I690-E738 HydrophobicContact CD1-CB 4.46Å; I690-E738 HydrophobicContact CG2-CB 3.98Å; I690-L741 HydrophobicContact CD1-CD1 3.52Å
691E88.3Confident92Very high32 Ų3260.2 Ų60.215%0.1529%0.292CS..Hα-helixtrans-53.8-47178.4-72.8-143.9144.400111.8R186 R190 T197 M687 R693 L694 D695R186-E691 IonicContact NH1-OE1 3.99Å; R186-E691 PolarHBondContact NH1-OE1 3.01Å; R186-E691 PolarHBondContact NH2-O 3.09Å; R190-E691 IonicContact CZ-OE1 3.46Å; R190-E691 IonicContact CZ-OE2 3.73Å; R190-E691 VanDerWaalsContact CZ-OE2 3.24Å; R190-E691 IonicContact NH1-OE1 3.82Å; R190-E691 PolarHBondContact NH1-OE1 2.86Å; R190-E691 VanDerWaalsContact NH1-OE1 3.16Å; R190-E691 IonicContact NH1-OE2 2.71Å; R190-E691 PolarHBondContact NH1-OE2 2.82Å; R190-E691 IonicContact NH2-OE1 3.9Å; R190-E691 PolarHBondContact NH2-OE1 3.33Å; R190-E691 VanDerWaalsContact NH2-OE1 3.13Å; R190-E691 IonicContact NH2-OE2 3.93Å; R190-E691 PolarHBondContact NH2-OE2 3.34Å; T197-E691 PolarHBondContact OG1-OE1 2.97Å; M687-E691 PolarHBondContact O-N 2.89Å; E691-R693 VanDerWaalsContact C-N 3.25Å; E691-R693 PolarHBondContact O-N 2.73Å; E691-L694 WeakPolarHBondContact O-CB 3.41Å; E691-L694 PolarHBondContact O-N 2.81Å; E691-D695 VanDerWaalsContact O-CG 3.27Å; E691-D695 PolarHBondContact O-N 3.22Å; E691-D695 VanDerWaalsContact O-OD1 3.09Å
692R91.9Very high91.9Very high154 Ų15454.5 Ų54.558%0.58127%0.267SS*.Hα-helixtrans-64.5-25.2177.8-74.9177-71.5142.60.9113.9D688 T689 I690 A696D688-R692 WeakPolarHBondContact O-CG 3.46Å; D688-R692 PolarHBondContact O-N 2.96Å; D688-R692 PolarHBondContact O-NE 3.16Å; D688-R692 PolarHBondContact O-NH2 3.48Å; T689-R692 VanDerWaalsContact CA-NH2 3.31Å; T689-R692 PolarHBondContact OG1-NH2 3.34Å; I690-R692 VanDerWaalsContact C-N 3.31Å; I690-R692 PolarHBondContact O-N 2.77Å; R692-A696 PolarHBondContact O-N 3.33Å
693R93.9Very high91.7Very high133 Ų13354.1 Ų54.150%0.50226%0.264SS..Hα-helixtrans-80.6-39.2173.5-70.6171.1-173.4-179.56.6111.5T689 I690 E691 D695 A696 L697 L734T689-R693 VanDerWaalsContact O-CG 3.27Å; T689-R693 WeakPolarHBondContact O-CG 3.18Å; T689-R693 PolarHBondContact O-N 3.47Å; I690-R693 WeakPolarHBondContact O-CA 3.39Å; I690-R693 WeakPolarHBondContact O-CB 3.42Å; I690-R693 PolarHBondContact O-N 3.48Å; E691-R693 VanDerWaalsContact C-N 3.25Å; E691-R693 PolarHBondContact O-N 2.73Å; R693-D695 VanDerWaalsContact C-N 3.3Å; R693-D695 PolarHBondContact O-N 3.18Å; R693-A696 CarbonylContact O-C 3.49Å; R693-A696 PolarHBondContact O-N 3.06Å; R693-L697 WeakPolarHBondContact O-CB 3.3Å; R693-L697 WeakPolarHBondContact O-CG 3.49Å; R693-L697 PolarHBondContact O-N 2.84Å; R693-L734 HydrophobicContact CB-CD1 3.52Å; R693-L734 HydrophobicContact CB-CD2 4.24Å
694L90.9Very high91.7Very high0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-58.3-43.4172-67.1173.3000110.6I690 E691 A696 L697 E698 K731 L734 V735 E738I690-L694 HydrophobicContact CG2-CD1 3.95Å; I690-L694 HydrophobicContact CG2-CG 4.21Å; I690-L694 WeakPolarHBondContact O-CG 3.48Å; I690-L694 PolarHBondContact O-N 3.36Å; E691-L694 WeakPolarHBondContact O-CB 3.41Å; E691-L694 PolarHBondContact O-N 2.81Å; L694-A696 PolarHBondContact O-N 3.22Å; L694-L697 WeakPolarHBondContact O-CB 3.29Å; L694-L697 PolarHBondContact O-N 2.87Å; L694-L697 VanDerWaalsContact O-N 3.12Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 WeakPolarHBondContact O-CG 3.49Å; L694-E698 PolarHBondContact O-N 2.77Å; L694-K731 HydrophobicContact CD2-CG 3.59Å; L694-L734 HydrophobicContact CD2-CB 3.65Å; L694-L734 HydrophobicContact CD2-CD1 4.26Å; L694-L734 HydrophobicContact CG-CB 4.21Å; L694-V735 HydrophobicContact CD1-CG2 4.38Å; L694-V735 HydrophobicContact CD2-CG2 3.94Å; L694-E738 WeakPolarHBondContact CD1-OE2 3.27Å
695D90.2Very high91.7Very high39 Ų3950.2 Ų50.221%0.20925%0.247CC..Hα-helixtrans-62.3-44.4175.9-67.27.2000112R186 H187 E691 R693 L697 E698 H699R186-D695 IonicContact CZ-OD1 3.43Å; R186-D695 IonicContact NE-OD1 2.71Å; R186-D695 IonicContact NH2-OD1 2.86Å; R186-D695 PolarHBondContact NH2-OD1 3.3Å; H187-D695 IonicContact CE1-OD1 3.74Å; H187-D695 PolarHBondContact CE1-OD1 3.17Å; H187-D695 IonicContact CE1-OD2 2.76Å; H187-D695 IonicContact NE2-OD1 2.74Å; H187-D695 PolarHBondContact NE2-OD1 3.25Å; H187-D695 IonicContact NE2-OD2 3.4Å; H187-D695 PolarHBondContact NE2-OD2 3.32Å; E691-D695 VanDerWaalsContact O-CG 3.27Å; E691-D695 PolarHBondContact O-N 3.22Å; E691-D695 VanDerWaalsContact O-OD1 3.09Å; R693-D695 VanDerWaalsContact C-N 3.3Å; R693-D695 PolarHBondContact O-N 3.18Å; D695-L697 PolarHBondContact O-N 3.37Å; D695-E698 PolarHBondContact O-N 2.64Å; D695-H699 WeakPolarHBondContact O-CB 3.42Å; D695-H699 PolarHBondContact O-CD2 3.2Å; D695-H699 PolarHBondContact O-N 3.47Å
696A94Very high91.5Very high47 Ų4753.3 Ų53.339%0.38825%0.252SS..Hα-helixtrans-67.9-22175.800000113.3R692 R693 L694 R700R692-A696 PolarHBondContact O-N 3.33Å; R693-A696 CarbonylContact O-C 3.49Å; R693-A696 PolarHBondContact O-N 3.06Å; L694-A696 PolarHBondContact O-N 3.22Å; A696-R700 WeakPolarHBondContact O-CB 3.31Å; A696-R700 VanDerWaalsContact O-CG 3.23Å; A696-R700 WeakPolarHBondContact O-CG 3.45Å; A696-R700 PolarHBondContact O-N 2.96Å; A696-R700 PolarHBondContact O-NE 3.16Å
697L93.8Very high91.2Very high0 Ų055.6 Ų55.60%026%0.261CS..Hα-helixtrans-80-46.3171.1-82.6163.5000111.9R693 L694 D695 H699 R700 G701 L727 E730 K731 L734R693-L697 WeakPolarHBondContact O-CB 3.3Å; R693-L697 WeakPolarHBondContact O-CG 3.49Å; R693-L697 PolarHBondContact O-N 2.84Å; L694-L697 WeakPolarHBondContact O-CB 3.29Å; L694-L697 PolarHBondContact O-N 2.87Å; L694-L697 VanDerWaalsContact O-N 3.12Å; D695-L697 PolarHBondContact O-N 3.37Å; L697-H699 PolarHBondContact O-N 2.95Å; L697-R700 CarbonylContact O-C 3.59Å; L697-R700 PolarHBondContact O-N 3.34Å; L697-R700 VanDerWaalsContact O-N 3.16Å; L697-G701 PolarHBondContact O-N 2.92Å; L697-L727 HydrophobicContact CD2-CD2 4.2Å; L697-L727 HydrophobicContact CD2-CG 3.72Å; L697-E730 HydrophobicContact CD1-CB 4.13Å; L697-E730 HydrophobicContact CD1-CG 4.04Å; L697-E730 HydrophobicContact CD2-CB 3.82Å; L697-E730 HydrophobicContact CD2-CG 4.02Å; L697-K731 HydrophobicContact CD1-CB 4.22Å; L697-L734 HydrophobicContact CD1-CD1 3.45Å; L697-L734 VanDerWaalsContact CD1-CD1 3.45Å
698E91.4Very high91Very high3 Ų355.3 Ų55.31%0.01426%0.26CS..Hα-helixtrans-59.3-46.4177.6-76.5173.8179.400110.5V174 Q175 R186 H187 L694 D695 R700 G701 V702 K731V174-E698 HydrophobicContact CG1-CB 4.5Å; V174-E698 WeakPolarHBondContact CG1-O 3.41Å; V174-E698 HydrophobicContact CG2-CG 4.21Å; Q175-E698 HydrophobicContact CG-CB 4.16Å; Q175-E698 HydrophobicContact CG-CG 4.32Å; R186-E698 IonicContact NE-OE1 3.92Å; R186-E698 IonicContact NE-OE2 3.28Å; H187-E698 IonicContact CE1-OE2 2.74Å; H187-E698 PolarHBondContact CE1-OE2 3.09Å; H187-E698 IonicContact ND1-OE2 3.48Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 WeakPolarHBondContact O-CG 3.49Å; L694-E698 PolarHBondContact O-N 2.77Å; D695-E698 PolarHBondContact O-N 2.64Å; E698-R700 PolarHBondContact O-N 2.76Å; E698-G701 PolarHBondContact O-N 3.12Å; E698-V702 VanDerWaalsContact O-CG2 3.29Å; E698-V702 WeakPolarHBondContact O-CG2 3.18Å; E698-V702 PolarHBondContact O-N 3.22Å; E698-K731 VanDerWaalsContact OE1-CE 3.27Å; E698-K731 WeakPolarHBondContact OE1-CE 3.27Å; E698-K731 IonicContact OE1-NZ 2.67Å; E698-K731 PolarHBondContact OE1-NZ 3.44Å
699H92.6Very high90.9Very high127 Ų12755.7 Ų55.759%0.58825%0.254SS*.Hα-helixtrans-62.7-41.2172.8-73.1-54.1000113.8D695 L697 G701 L703D695-H699 WeakPolarHBondContact O-CB 3.42Å; D695-H699 PolarHBondContact O-CD2 3.2Å; D695-H699 PolarHBondContact O-N 3.47Å; L697-H699 PolarHBondContact O-N 2.95Å; H699-G701 VanDerWaalsContact C-N 3.29Å; H699-G701 PolarHBondContact O-N 3.28Å; H699-L703 WeakPolarHBondContact O-CG 3.33Å; H699-L703 PolarHBondContact O-N 3.34Å
700R94.8Very high90.1Very high112 Ų11255.7 Ų55.742%0.42326%0.262SS..Hα-helixtrans-63.2-37.4174.1-83.1-174.9-71.9161.9-8.8111.6A696 L697 E698 L704 L727 E730A696-R700 WeakPolarHBondContact O-CB 3.31Å; A696-R700 VanDerWaalsContact O-CG 3.23Å; A696-R700 WeakPolarHBondContact O-CG 3.45Å; A696-R700 PolarHBondContact O-N 2.96Å; A696-R700 PolarHBondContact O-NE 3.16Å; L697-R700 CarbonylContact O-C 3.59Å; L697-R700 PolarHBondContact O-N 3.34Å; L697-R700 VanDerWaalsContact O-N 3.16Å; E698-R700 PolarHBondContact O-N 2.76Å; R700-L704 WeakPolarHBondContact O-CB 3.25Å; R700-L704 PolarHBondContact O-N 2.85Å; R700-L727 HydrophobicContact CB-CD1 3.68Å; R700-E730 IonicContact CZ-OE1 3.61Å; R700-E730 IonicContact CZ-OE2 2.93Å; R700-E730 IonicContact NH1-OE1 3.22Å; R700-E730 IonicContact NH1-OE2 2.75Å; R700-E730 PolarHBondContact NH1-OE2 2.8Å; R700-E730 IonicContact NH2-OE1 2.7Å; R700-E730 PolarHBondContact NH2-OE1 3.34Å; R700-E730 IonicContact NH2-OE2 3.66Å; R700-E730 PolarHBondContact NH2-OE2 3.37Å
701G91.3Very high88.7Confident0 Ų058.2 Ų58.20%029%0.289CS..Hα-helixtrans-73.1-44.6-176.600000112.1L697 E698 H699 L703 L704 E705L697-G701 PolarHBondContact O-N 2.92Å; E698-G701 PolarHBondContact O-N 3.12Å; H699-G701 VanDerWaalsContact C-N 3.29Å; H699-G701 PolarHBondContact O-N 3.28Å; G701-L703 VanDerWaalsContact C-N 3.31Å; G701-L703 PolarHBondContact O-N 2.94Å; G701-L704 PolarHBondContact O-N 3.12Å; G701-E705 WeakPolarHBondContact O-CB 3.05Å; G701-E705 PolarHBondContact O-N 2.87Å
702V90.7Very high87.1Confident20 Ų2063.9 Ų63.912%0.12132%0.32CS..Hα-helixtrans-51.2-52.9170.9170.80000110.1H172 V174 Q175 E698 L704 E705 E706H172-V702 HydrophobicContact CB-CG2 3.82Å; V174-V702 HydrophobicContact CG1-CG2 4.26Å; Q175-V702 HydrophobicContact CG-CG2 4.03Å; E698-V702 VanDerWaalsContact O-CG2 3.29Å; E698-V702 WeakPolarHBondContact O-CG2 3.18Å; E698-V702 PolarHBondContact O-N 3.22Å; V702-L704 PolarHBondContact O-N 3.23Å; V702-L704 VanDerWaalsContact O-N 3.13Å; V702-E705 PolarHBondContact O-N 3.1Å; V702-E706 WeakPolarHBondContact O-CG 3.37Å; V702-E706 PolarHBondContact O-N 3.09Å
703L90.9Very high85.4Confident90 Ų9059.8 Ų59.847%0.47131%0.309SS..Hα-helixtrans-65.6-14.3179.2-68172.9000114.2H699 G701 K707H699-L703 WeakPolarHBondContact O-CG 3.33Å; H699-L703 PolarHBondContact O-N 3.34Å; G701-L703 VanDerWaalsContact C-N 3.31Å; G701-L703 PolarHBondContact O-N 2.94Å; L703-K707 VanDerWaalsContact O-CD 3.3Å; L703-K707 WeakPolarHBondContact O-CD 3.5Å; L703-K707 VanDerWaalsContact O-CE 3.32Å; L703-K707 WeakPolarHBondContact O-CE 3.49Å; L703-K707 VanDerWaalsContact O-CG 3.28Å; L703-K707 WeakPolarHBondContact O-CG 3.25Å; L703-K707 PolarHBondContact O-NZ 3.18Å
704L89.8Confident83.8Confident22 Ų2261.2 Ų61.212%0.11532%0.321CS..Hα-helixtrans-97.3-40.1177.8-174.556000110.9R700 G701 V702 K707 L708 M720 D723 W724 L727R700-L704 WeakPolarHBondContact O-CB 3.25Å; R700-L704 PolarHBondContact O-N 2.85Å; G701-L704 PolarHBondContact O-N 3.12Å; V702-L704 PolarHBondContact O-N 3.23Å; V702-L704 VanDerWaalsContact O-N 3.13Å; L704-K707 PolarHBondContact O-N 3.3Å; L704-L708 HydrophobicContact CG-CD1 4.27Å; L704-L708 WeakPolarHBondContact O-CG 3.5Å; L704-L708 PolarHBondContact O-N 2.77Å; L704-M720 HydrophobicContact CD1-CB 3.92Å; L704-M720 HydrophobicContact CD1-CG 4.19Å; L704-D723 HydrophobicContact CD2-CB 4.2Å; L704-W724 HydrophobicContact CB-CE3 4.47Å; L704-W724 HydrophobicContact CD2-CB 3.97Å; L704-W724 HydrophobicContact CD2-CE3 4.35Å; L704-W724 HydrophobicContact CG-CE3 4.4Å; L704-L727 HydrophobicContact CD2-CD1 4.38Å
705E89.6Confident82.6Confident0 Ų065 Ų650%036%0.36CS..Hα-helixtrans-57.5-48.3169.2176.2170.8168.500111.1L94 H172 L173 G701 V702 K707 L708 R709 W724L94-E705 HydrophobicContact CD2-CB 4.39Å; L94-E705 HydrophobicContact CD2-CG 3.9Å; H172-E705 WeakPolarHBondContact CB-OE2 3.4Å; H172-E705 IonicContact CG-OE2 3.39Å; H172-E705 IonicContact ND1-OE1 3.19Å; H172-E705 IonicContact ND1-OE2 3.33Å; L173-E705 PolarHBondContact N-OE2 3.12Å; G701-E705 WeakPolarHBondContact O-CB 3.05Å; G701-E705 PolarHBondContact O-N 2.87Å; V702-E705 PolarHBondContact O-N 3.1Å; E705-K707 PolarHBondContact O-N 3.26Å; E705-L708 PolarHBondContact O-N 3.38Å; E705-R709 HydrophobicContact CG-CG 4.32Å; E705-R709 WeakPolarHBondContact O-CB 3.37Å; E705-R709 VanDerWaalsContact O-CG 3.29Å; E705-R709 WeakPolarHBondContact O-CG 3.45Å; E705-R709 PolarHBondContact O-N 2.97Å; E705-R709 IonicContact OE1-CZ 3.59Å; E705-R709 IonicContact OE1-NE 3.25Å; E705-R709 PolarHBondContact OE1-NE 3.22Å; E705-R709 IonicContact OE1-NH2 2.73Å; E705-R709 PolarHBondContact OE1-NH2 2.71Å; E705-W724 HydrophobicContact CB-CH2 4.18Å; E705-W724 HydrophobicContact CB-CZ3 3.92Å
706E88.1Confident81.8Confident99 Ų9970.3 Ų70.346%0.46338%0.378SS..Hα-helixtrans-54.1-39.3174.4-75.6174.7165.800112.7V702 G710V702-E706 WeakPolarHBondContact O-CG 3.37Å; V702-E706 PolarHBondContact O-N 3.09Å; E706-G710 PolarHBondContact O-N 3.17Å
707K87.9Confident81.1Confident115 Ų11570 Ų7050%0.537%0.368SS..Hα-helixtrans-75.2-37.3179.6-67.2174.9-170.9111.10112.5L703 L704 E705 R709 G710 M720L703-K707 VanDerWaalsContact O-CD 3.3Å; L703-K707 WeakPolarHBondContact O-CD 3.5Å; L703-K707 VanDerWaalsContact O-CE 3.32Å; L703-K707 WeakPolarHBondContact O-CE 3.49Å; L703-K707 VanDerWaalsContact O-CG 3.28Å; L703-K707 WeakPolarHBondContact O-CG 3.25Å; L703-K707 PolarHBondContact O-NZ 3.18Å; L704-K707 PolarHBondContact O-N 3.3Å; E705-K707 PolarHBondContact O-N 3.26Å; K707-R709 VanDerWaalsContact C-N 3.34Å; K707-G710 PolarHBondContact O-N 2.71Å; K707-M720 HydrophobicContact CB-SD 3.9Å
708L85.1Confident80.2Confident25 Ų2573.2 Ų73.213%0.13139%0.385CS..Hα-helixtrans-67.6-34.6173.9-73.9166000111.6L94 L704 E705 M720 L721 W724L94-L708 HydrophobicContact CD1-CD1 4.11Å; L94-L708 HydrophobicContact CD2-CB 4.08Å; L94-L708 HydrophobicContact CD2-CD1 4.19Å; L704-L708 HydrophobicContact CG-CD1 4.27Å; L704-L708 WeakPolarHBondContact O-CG 3.5Å; L704-L708 PolarHBondContact O-N 2.77Å; E705-L708 PolarHBondContact O-N 3.38Å; L708-M720 HydrophobicContact CD2-CB 3.7Å; L708-M720 HydrophobicContact CD2-CE 4.29Å; L708-M720 HydrophobicContact CG-CB 4.2Å; L708-L721 HydrophobicContact CD1-CD2 4.04Å; L708-L721 HydrophobicContact CD2-CD2 3.76Å; L708-L721 HydrophobicContact CD2-CG 3.79Å; L708-W724 HydrophobicContact CD1-CB 4.09Å; L708-W724 HydrophobicContact CD1-CD2 4.43Å; L708-W724 HydrophobicContact CD1-CG 4.25Å
709R85.2Confident79.7Confident106 Ų10677.7 Ų77.740%0.441%0.409SS..Hα-helixtrans-76-28.8172.6-68.4-177.1-176-56.5-7.2113.1D92 E705 K707 G711D92-R709 IonicContact OD1-CZ 2.79Å; D92-R709 IonicContact OD1-NH1 2.8Å; D92-R709 PolarHBondContact OD1-NH1 3.13Å; D92-R709 IonicContact OD1-NH2 3.82Å; D92-R709 IonicContact OD2-CZ 3.73Å; D92-R709 IonicContact OD2-NH1 2.72Å; D92-R709 PolarHBondContact OD2-NH1 2.92Å; D92-R709 VanDerWaalsContact OD2-NH1 3.14Å; D92-R709 IonicContact OD2-NH2 3.97Å; D92-R709 PolarHBondContact OD2-NH2 3.12Å; E705-R709 HydrophobicContact CG-CG 4.32Å; E705-R709 WeakPolarHBondContact O-CB 3.37Å; E705-R709 VanDerWaalsContact O-CG 3.29Å; E705-R709 WeakPolarHBondContact O-CG 3.45Å; E705-R709 PolarHBondContact O-N 2.97Å; E705-R709 IonicContact OE1-CZ 3.59Å; E705-R709 IonicContact OE1-NE 3.25Å; E705-R709 PolarHBondContact OE1-NE 3.22Å; E705-R709 IonicContact OE1-NH2 2.73Å; E705-R709 PolarHBondContact OE1-NH2 2.71Å; K707-R709 VanDerWaalsContact C-N 3.34Å; R709-G711 VanDerWaalsContact C-N 3.26Å; R709-G711 PolarHBondContact O-N 3.26Å
710G78.3Confident79.4Confident43 Ų4373.4 Ų73.444%0.44339%0.39SS..THydrogen-bonded Turntrans-72-6.1-175.200000116.3E706 K707 L712E706-G710 PolarHBondContact O-N 3.17Å; K707-G710 PolarHBondContact O-N 2.71Å; G710-L712 WeakPolarHBondContact O-CG 3.25Å; G710-L712 PolarHBondContact O-N 3.37Å
711G64.7Low78.8Confident55 Ų5568.4 Ų68.457%0.56737%0.371SS*.  trans59.513.7165.500000117.7R709R709-G711 VanDerWaalsContact C-N 3.26Å; R709-G711 PolarHBondContact O-N 3.26Å
712L54.9Low78.3Confident152 Ų15269.5 Ų69.580%0.79638%0.378SS*.SBendtrans-88.3-6.7-168-87.5164000114.8G710G710-L712 WeakPolarHBondContact O-CG 3.25Å; G710-L712 PolarHBondContact O-N 3.37Å
713N56.4Low78.1Confident67 Ų6772.3 Ų72.336%0.35839%0.393SS..  trans-157.177.7-176.7-78.4-98.5000113.8G715 R716 E717N713-G715 PolarHBondContact O-N 2.78Å; N713-G715 VanDerWaalsContact O-N 3.1Å; N713-R716 HydrophobicContact CB-CB 4.12Å; N713-R716 PolarHBondContact ND2-NH2 3.4Å; N713-R716 VanDerWaalsContact ND2-NH2 3.2Å; N713-R716 PolarHBondContact O-N 3.49Å; N713-R716 PolarHBondContact OD1-NE 2.89Å; N713-R716 PolarHBondContact OD1-NH2 3.26Å; N713-E717 WeakPolarHBondContact O-CG 3.18Å; N713-E717 PolarHBondContact O-N 3.3Å; N713-E717 VanDerWaalsContact O-N 3.07Å
714E60.3Low77.9Confident163 Ų16368 Ų6876%0.76237%0.37SS*.Hα-helixtrans-47.3-44.2173.1-70.8-172.6117.300112.4R716 E717E714-R716 PolarHBondContact O-N 2.76Å; E714-E717 WeakPolarHBondContact CA-OE1 3.48Å; E714-E717 PolarHBondContact N-OE1 2.95Å; E714-E717 VanDerWaalsContact N-OE1 3.13Å; E714-E717 PolarHBondContact O-N 2.74Å
715G63.8Low77.5Confident79 Ų7968.6 Ų68.681%0.81437%0.372SS*.Hα-helixtrans-68.50.7179.200000116.2N713N713-G715 PolarHBondContact O-N 2.78Å; N713-G715 VanDerWaalsContact O-N 3.1Å
716R73.8Confident77.2Confident152 Ų15274.2 Ų74.257%0.57440%0.396SS*.Hα-helixtrans-127.4-7.9171.3-66.8-170.4-74.1-165-0.1113.5N713 E714 D718 D719 M720N713-R716 HydrophobicContact CB-CB 4.12Å; N713-R716 PolarHBondContact ND2-NH2 3.4Å; N713-R716 VanDerWaalsContact ND2-NH2 3.2Å; N713-R716 PolarHBondContact O-N 3.49Å; N713-R716 PolarHBondContact OD1-NE 2.89Å; N713-R716 PolarHBondContact OD1-NH2 3.26Å; E714-R716 PolarHBondContact O-N 2.76Å; R716-D718 VanDerWaalsContact C-N 3.31Å; R716-D718 PolarHBondContact O-N 3.12Å; R716-D719 PolarHBondContact O-N 3.32Å; R716-M720 WeakPolarHBondContact O-CG 3.42Å; R716-M720 PolarHBondContact O-N 3.42Å
717E78.9Confident77.3Confident41 Ų4170 Ų7019%0.19238%0.377CS..Hα-helixtrans-61-38.5177.6-79.5156.3-145.700111.9N713 E714 D719 M720 L721N713-E717 WeakPolarHBondContact O-CG 3.18Å; N713-E717 PolarHBondContact O-N 3.3Å; N713-E717 VanDerWaalsContact O-N 3.07Å; E714-E717 WeakPolarHBondContact CA-OE1 3.48Å; E714-E717 PolarHBondContact N-OE1 2.95Å; E714-E717 VanDerWaalsContact N-OE1 3.13Å; E714-E717 PolarHBondContact O-N 2.74Å; E717-D719 VanDerWaalsContact C-N 3.29Å; E717-D719 PolarHBondContact O-N 2.7Å; E717-M720 HydrophobicContact CB-CE 4.4Å; E717-M720 HydrophobicContact CG-CE 3.71Å; E717-M720 PolarHBondContact O-N 3.03Å; E717-L721 WeakPolarHBondContact O-CB 3.28Å; E717-L721 VanDerWaalsContact O-CG 3.26Å; E717-L721 WeakPolarHBondContact O-CG 3.39Å; E717-L721 PolarHBondContact O-N 2.83Å
718D76.8Confident77.1Confident66 Ų6665.9 Ų65.935%0.35336%0.36SS..Hα-helixtrans-59.9-33.6175.9-80.8-23.3000114G3 P4 R716 V722G3-D718 VanDerWaalsContact CA-CG 3.46Å; G3-D718 WeakPolarHBondContact CA-OD1 2.97Å; G3-D718 WeakPolarHBondContact CA-OD2 3.37Å; P4-D718 VanDerWaalsContact CD-OD1 3.28Å; P4-D718 WeakPolarHBondContact CD-OD1 3.26Å; R716-D718 VanDerWaalsContact C-N 3.31Å; R716-D718 PolarHBondContact O-N 3.12Å; D718-V722 WeakPolarHBondContact O-CG2 3.44Å; D718-V722 PolarHBondContact O-N 3.2Å
719D80.9Confident76.8Confident98 Ų9867 Ų6752%0.52436%0.364SS..Hα-helixtrans-83-36.1175.5-81.8-35.9000111.7R716 E717 L721 V722 D723 K822R716-D719 PolarHBondContact O-N 3.32Å; E717-D719 VanDerWaalsContact C-N 3.29Å; E717-D719 PolarHBondContact O-N 2.7Å; D719-L721 VanDerWaalsContact C-N 3.28Å; D719-L721 PolarHBondContact O-N 3.46Å; D719-V722 WeakPolarHBondContact O-CB 3.48Å; D719-V722 PolarHBondContact O-N 3.27Å; D719-V722 VanDerWaalsContact O-N 3.12Å; D719-D723 PolarHBondContact O-N 2.94Å; D719-K822 IonicContact OD1-NZ 2.94Å; D719-K822 PolarHBondContact OD1-NZ 3Å
720M85.6Confident77Confident37 Ų3765.6 Ų65.618%0.18236%0.362CS..Hα-helixtrans-62-35.6170.8-68.6-169.5-59.300112L704 K707 L708 R716 E717 D723 W724L704-M720 HydrophobicContact CD1-CB 3.92Å; L704-M720 HydrophobicContact CD1-CG 4.19Å; K707-M720 HydrophobicContact CB-SD 3.9Å; L708-M720 HydrophobicContact CD2-CB 3.7Å; L708-M720 HydrophobicContact CD2-CE 4.29Å; L708-M720 HydrophobicContact CG-CB 4.2Å; R716-M720 WeakPolarHBondContact O-CG 3.42Å; R716-M720 PolarHBondContact O-N 3.42Å; E717-M720 HydrophobicContact CB-CE 4.4Å; E717-M720 HydrophobicContact CG-CE 3.71Å; E717-M720 PolarHBondContact O-N 3.03Å; M720-D723 PolarHBondContact O-N 3.17Å; M720-W724 WeakPolarHBondContact O-CB 3.26Å; M720-W724 PolarHBondContact O-N 3.18Å
721L81.3Confident77.4Confident6 Ų664.9 Ų64.93%0.03135%0.347CS..Hα-helixtrans-67-36.3172.3-73.7173.2000112.1R5 L94 M97 L708 E717 D719 W724 F725R5-L721 HydrophobicContact CB-CD1 4.25Å; L94-L721 HydrophobicContact CD1-CD2 3.89Å; M97-L721 HydrophobicContact CE-CD1 3.81Å; M97-L721 HydrophobicContact CE-CD2 3.45Å; M97-L721 VanDerWaalsContact CE-CD2 3.45Å; M97-L721 HydrophobicContact CE-CG 4.3Å; M97-L721 HydrophobicContact SD-CD1 3.95Å; M97-L721 HydrophobicContact SD-CD2 4.26Å; L708-L721 HydrophobicContact CD1-CD2 4.04Å; L708-L721 HydrophobicContact CD2-CD2 3.76Å; L708-L721 HydrophobicContact CD2-CG 3.79Å; E717-L721 WeakPolarHBondContact O-CB 3.28Å; E717-L721 VanDerWaalsContact O-CG 3.26Å; E717-L721 WeakPolarHBondContact O-CG 3.39Å; E717-L721 PolarHBondContact O-N 2.83Å; D719-L721 VanDerWaalsContact C-N 3.28Å; D719-L721 PolarHBondContact O-N 3.46Å; L721-W724 WeakPolarHBondContact O-CB 3.25Å; L721-W724 PolarHBondContact O-N 3.46Å; L721-F725 HydrophobicContact CB-CE2 4.22Å; L721-F725 WeakPolarHBondContact O-CD2 3.04Å; L721-F725 WeakPolarHBondContact O-CG 3.39Å; L721-F725 PolarHBondContact O-N 2.89Å
722V81.8Confident78.2Confident24 Ų2464.6 Ų64.615%0.14533%0.331CS..Hα-helixtrans-66.6-40.1174.7168.10000111.1P4 D718 D719 W724 K726 K822P4-V722 HydrophobicContact CG-CG2 4.06Å; D718-V722 WeakPolarHBondContact O-CG2 3.44Å; D718-V722 PolarHBondContact O-N 3.2Å; D719-V722 WeakPolarHBondContact O-CB 3.48Å; D719-V722 PolarHBondContact O-N 3.27Å; D719-V722 VanDerWaalsContact O-N 3.12Å; V722-W724 VanDerWaalsContact C-N 3.32Å; V722-K726 WeakPolarHBondContact O-CG 3.44Å; V722-K726 PolarHBondContact O-N 3.26Å; V722-K726 VanDerWaalsContact O-N 3.11Å; V722-K822 HydrophobicContact CG1-CD 4.42Å; V722-K822 HydrophobicContact CG2-CD 4.21Å; V722-K822 VanDerWaalsContact CG2-NZ 3.27Å
723D85.4Confident79.6Confident79 Ų7961 Ų6142%0.42231%0.312SS..Hα-helixtrans-70.5-29.4174.2-71.4-17.2000112.2L704 D719 M720 K726 L727L704-D723 HydrophobicContact CD2-CB 4.2Å; D719-D723 PolarHBondContact O-N 2.94Å; M720-D723 PolarHBondContact O-N 3.17Å; D723-K726 IonicContact OD1-NZ 2.66Å; D723-K726 PolarHBondContact OD1-NZ 2.89Å; D723-L727 VanDerWaalsContact O-CB 3.25Å; D723-L727 WeakPolarHBondContact O-CB 3.41Å; D723-L727 PolarHBondContact O-N 3Å
724W87.6Confident81.2Confident0 Ų058.5 Ų58.50%030%0.298CS..Hα-helixtrans-64.4-50.1170.5175.8-103.8000111.8T98 L173 V174 L704 E705 L708 M720 L721 V722 K726 L727 I728T98-W724 PolarHBondContact OG1-NE1 3.44Å; L173-W724 HydrophobicContact CB-CH2 3.81Å; L173-W724 HydrophobicContact CB-CZ2 3.78Å; L173-W724 HydrophobicContact CD2-CZ2 3.96Å; V174-W724 HydrophobicContact CB-CH2 4.2Å; V174-W724 HydrophobicContact CB-CZ3 4.42Å; L704-W724 HydrophobicContact CB-CE3 4.47Å; L704-W724 HydrophobicContact CD2-CB 3.97Å; L704-W724 HydrophobicContact CD2-CE3 4.35Å; L704-W724 HydrophobicContact CG-CE3 4.4Å; E705-W724 HydrophobicContact CB-CH2 4.18Å; E705-W724 HydrophobicContact CB-CZ3 3.92Å; L708-W724 HydrophobicContact CD1-CB 4.09Å; L708-W724 HydrophobicContact CD1-CD2 4.43Å; L708-W724 HydrophobicContact CD1-CG 4.25Å; M720-W724 WeakPolarHBondContact O-CB 3.26Å; M720-W724 PolarHBondContact O-N 3.18Å; L721-W724 WeakPolarHBondContact O-CB 3.25Å; L721-W724 PolarHBondContact O-N 3.46Å; V722-W724 VanDerWaalsContact C-N 3.32Å; W724-K726 VanDerWaalsContact C-N 3.32Å; W724-K726 PolarHBondContact O-N 2.71Å; W724-L727 WeakPolarHBondContact O-CB 3.25Å; W724-L727 PolarHBondContact O-N 2.86Å; W724-I728 HydrophobicContact CD2-CG1 4.45Å; W724-I728 HydrophobicContact CH2-CD1 4.42Å; W724-I728 HydrophobicContact CZ2-CD1 4.09Å; W724-I728 HydrophobicContact CZ2-CG1 4.47Å; W724-I728 WeakPolarHBondContact O-CG1 3.41Å; W724-I728 PolarHBondContact O-N 3.14Å
725F81.2Confident82.3Confident33 Ų3353.8 Ų53.815%0.14528%0.281CS..Hα-helixtrans-62.6-36.7177.8-64.4-54.4000112.6P4 M97 L721 H729P4-F725 HydrophobicContact CB-CE2 4.36Å; M97-F725 HydrophobicContact CG-CZ 4.37Å; L721-F725 HydrophobicContact CB-CE2 4.22Å; L721-F725 WeakPolarHBondContact O-CD2 3.04Å; L721-F725 WeakPolarHBondContact O-CG 3.39Å; L721-F725 PolarHBondContact O-N 2.89Å; F725-H729 PolarHBondContact O-N 2.92Å; F725-H729 VanDerWaalsContact O-N 3.17Å
726K83Confident83.3Confident119 Ų11951 Ų5152%0.51725%0.246SC..Hα-helixtrans-61.6-43.4170.3-70.4172.7-164.7160.10112.1V722 D723 W724 H729 E730V722-K726 WeakPolarHBondContact O-CG 3.44Å; V722-K726 PolarHBondContact O-N 3.26Å; V722-K726 VanDerWaalsContact O-N 3.11Å; D723-K726 IonicContact OD1-NZ 2.66Å; D723-K726 PolarHBondContact OD1-NZ 2.89Å; W724-K726 VanDerWaalsContact C-N 3.32Å; W724-K726 PolarHBondContact O-N 2.71Å; K726-H729 PolarHBondContact O-N 3.31Å; K726-E730 WeakPolarHBondContact O-CB 3.49Å; K726-E730 PolarHBondContact O-N 2.78Å
727L90.9Very high84Confident11 Ų1147.5 Ų47.56%0.05823%0.233CC..Hα-helixtrans-65.6-42.1-176.8-172.2153.9000111.6V174 L697 R700 L704 D723 W724 E730 K731V174-L727 HydrophobicContact CG2-CD2 3.63Å; L697-L727 HydrophobicContact CD2-CD2 4.2Å; L697-L727 HydrophobicContact CD2-CG 3.72Å; R700-L727 HydrophobicContact CB-CD1 3.68Å; L704-L727 HydrophobicContact CD2-CD1 4.38Å; D723-L727 VanDerWaalsContact O-CB 3.25Å; D723-L727 WeakPolarHBondContact O-CB 3.41Å; D723-L727 PolarHBondContact O-N 3Å; W724-L727 WeakPolarHBondContact O-CB 3.25Å; W724-L727 PolarHBondContact O-N 2.86Å; L727-E730 PolarHBondContact O-N 3.11Å; L727-K731 PolarHBondContact O-N 2.77Å
728I83Confident84.4Confident28 Ų2847 Ų4714%0.14423%0.23CC..Hα-helixtrans-61.4-44.4173.1-63.2-59.9000110.6V174 W724 K731 H732V174-I728 HydrophobicContact CG2-CD1 4.41Å; W724-I728 HydrophobicContact CD2-CG1 4.45Å; W724-I728 HydrophobicContact CH2-CD1 4.42Å; W724-I728 HydrophobicContact CZ2-CD1 4.09Å; W724-I728 HydrophobicContact CZ2-CG1 4.47Å; W724-I728 WeakPolarHBondContact O-CG1 3.41Å; W724-I728 PolarHBondContact O-N 3.14Å; I728-K731 WeakPolarHBondContact O-CB 3.46Å; I728-K731 PolarHBondContact O-N 2.97Å; I728-H732 WeakPolarHBondContact CG2-NE2 3.49Å; I728-H732 PolarHBondContact O-CD2 3.14Å; I728-H732 PolarHBondContact O-N 2.75Å
729H80.1Confident84.8Confident49 Ų4945.4 Ų45.423%0.22722%0.224CC..Hα-helixtrans-65.4-41.2175173.466000113.7F725 K726 K731 H732 L733 D812 L815F725-H729 PolarHBondContact O-N 2.92Å; F725-H729 VanDerWaalsContact O-N 3.17Å; K726-H729 PolarHBondContact O-N 3.31Å; H729-K731 PolarHBondContact O-N 2.9Å; H729-H732 PolarHBondContact O-N 3.28Å; H729-H732 VanDerWaalsContact O-N 3.1Å; H729-L733 WeakPolarHBondContact NE2-CD1 3.39Å; H729-L733 PolarHBondContact O-N 2.75Å; H729-D812 IonicContact CE1-OD1 3.14Å; H729-D812 PolarHBondContact CE1-OD1 2.72Å; H729-D812 IonicContact ND1-OD1 3.21Å; H729-L815 HydrophobicContact CB-CD2 3.66Å; H729-L815 WeakPolarHBondContact CD2-CD2 3.1Å; H729-L815 VanDerWaalsContact ND1-CD2 3.33Å; H729-L815 WeakPolarHBondContact ND1-CD2 3.37Å; H729-L815 WeakPolarHBondContact NE2-CD2 3.45Å
730E88.1Confident85.1Confident76 Ų7644.2 Ų44.236%0.35522%0.216SC..Hα-helixtrans-59.3-33.2174.1-160.2-167.7140.600110.4L697 R700 K726 L727 L734L697-E730 HydrophobicContact CD1-CB 4.13Å; L697-E730 HydrophobicContact CD1-CG 4.04Å; L697-E730 HydrophobicContact CD2-CB 3.82Å; L697-E730 HydrophobicContact CD2-CG 4.02Å; R700-E730 IonicContact CZ-OE1 3.61Å; R700-E730 IonicContact CZ-OE2 2.93Å; R700-E730 IonicContact NH1-OE1 3.22Å; R700-E730 IonicContact NH1-OE2 2.75Å; R700-E730 PolarHBondContact NH1-OE2 2.8Å; R700-E730 IonicContact NH2-OE1 2.7Å; R700-E730 PolarHBondContact NH2-OE1 3.34Å; R700-E730 IonicContact NH2-OE2 3.66Å; R700-E730 PolarHBondContact NH2-OE2 3.37Å; K726-E730 WeakPolarHBondContact O-CB 3.49Å; K726-E730 PolarHBondContact O-N 2.78Å; L727-E730 PolarHBondContact O-N 3.11Å; E730-L734 WeakPolarHBondContact O-CD1 3.42Å; E730-L734 WeakPolarHBondContact O-CG 3.45Å
731K86.1Confident85.3Confident28 Ų2842.5 Ų42.512%0.12221%0.207CC..Hα-helixtrans-68.7-48.7170.9-163.4-171.8-177177.40112V174 L694 L697 E698 L727 I728 H729 L733 L734 V735V174-K731 HydrophobicContact CG2-CD 4.4Å; V174-K731 PolarHBondContact O-NZ 3.06Å; L694-K731 HydrophobicContact CD2-CG 3.59Å; L697-K731 HydrophobicContact CD1-CB 4.22Å; E698-K731 VanDerWaalsContact OE1-CE 3.27Å; E698-K731 WeakPolarHBondContact OE1-CE 3.27Å; E698-K731 IonicContact OE1-NZ 2.67Å; E698-K731 PolarHBondContact OE1-NZ 3.44Å; L727-K731 PolarHBondContact O-N 2.77Å; I728-K731 WeakPolarHBondContact O-CB 3.46Å; I728-K731 PolarHBondContact O-N 2.97Å; H729-K731 PolarHBondContact O-N 2.9Å; K731-L733 PolarHBondContact O-N 3.09Å; K731-L734 PolarHBondContact O-N 3.07Å; K731-L734 VanDerWaalsContact O-N 3.14Å; K731-V735 HydrophobicContact CG-CG2 4.48Å; K731-V735 WeakPolarHBondContact O-CG2 3.48Å; K731-V735 PolarHBondContact O-N 2.79Å
732H82.9Confident85.6Confident49 Ų4944.7 Ų44.723%0.22722%0.218CC..Hα-helixtrans-59.8-47-178.2-72.2-151.1000111.5I728 H729 L734 V735 R736I728-H732 WeakPolarHBondContact CG2-NE2 3.49Å; I728-H732 PolarHBondContact O-CD2 3.14Å; I728-H732 PolarHBondContact O-N 2.75Å; H729-H732 PolarHBondContact O-N 3.28Å; H729-H732 VanDerWaalsContact O-N 3.1Å; H732-L734 PolarHBondContact O-N 3.01Å; H732-V735 PolarHBondContact O-N 2.82Å; H732-V735 VanDerWaalsContact O-N 3.17Å; H732-R736 VanDerWaalsContact O-CG 3.26Å; H732-R736 WeakPolarHBondContact O-CG 3.44Å; H732-R736 PolarHBondContact O-N 3.41Å
733L84Confident85.9Confident75 Ų7545.5 Ų45.539%0.39322%0.219SC..Hα-helixtrans-54.6-36175.5-76.1175.1000113.4H729 K731 R737H729-L733 WeakPolarHBondContact NE2-CD1 3.39Å; H729-L733 PolarHBondContact O-N 2.75Å; K731-L733 PolarHBondContact O-N 3.09Å; L733-R737 WeakPolarHBondContact O-CB 3.46Å; L733-R737 PolarHBondContact O-N 3.24Å; L733-R737 VanDerWaalsContact O-N 3.17Å
734L88.9Confident86.1Confident15 Ų1544 Ų448%0.07921%0.213CC..Hα-helixtrans-76.7-40.1179.1-76.2169.2000112.5I690 R693 L694 L697 E730 K731 H732 R737 E738I690-L734 HydrophobicContact CG1-CD2 4.21Å; I690-L734 HydrophobicContact CG2-CB 4.08Å; I690-L734 HydrophobicContact CG2-CD2 4.3Å; I690-L734 WeakPolarHBondContact CG2-O 3.4Å; R693-L734 HydrophobicContact CB-CD1 3.52Å; R693-L734 HydrophobicContact CB-CD2 4.24Å; L694-L734 HydrophobicContact CD2-CB 3.65Å; L694-L734 HydrophobicContact CD2-CD1 4.26Å; L694-L734 HydrophobicContact CG-CB 4.21Å; L697-L734 HydrophobicContact CD1-CD1 3.45Å; L697-L734 VanDerWaalsContact CD1-CD1 3.45Å; E730-L734 WeakPolarHBondContact O-CD1 3.42Å; E730-L734 WeakPolarHBondContact O-CG 3.45Å; K731-L734 PolarHBondContact O-N 3.07Å; K731-L734 VanDerWaalsContact O-N 3.14Å; H732-L734 PolarHBondContact O-N 3.01Å; L734-R737 PolarHBondContact O-N 3.07Å; L734-E738 WeakPolarHBondContact O-CB 3.35Å; L734-E738 PolarHBondContact O-N 2.73Å
735V83.7Confident86.2Confident65 Ų6547 Ų4739%0.39423%0.226SC..Hα-helixtrans-64.5-40.2175.6174.60000111.2L694 K731 H732 E738 S739L694-V735 HydrophobicContact CD1-CG2 4.38Å; L694-V735 HydrophobicContact CD2-CG2 3.94Å; K731-V735 HydrophobicContact CG-CG2 4.48Å; K731-V735 WeakPolarHBondContact O-CG2 3.48Å; K731-V735 PolarHBondContact O-N 2.79Å; H732-V735 PolarHBondContact O-N 2.82Å; H732-V735 VanDerWaalsContact O-N 3.17Å; V735-E738 WeakPolarHBondContact O-CB 3.48Å; V735-E738 PolarHBondContact O-N 2.83Å; V735-S739 PolarHBondContact O-N 3.3Å
736R85.1Confident86.5Confident21 Ų2150 Ų508%0.07924%0.238CC..Hα-helixtrans-61.8-42.6172.5-63.6165.3-175.8173.50.8112H732 E738 S739 E740 E808 E811 D812H732-R736 VanDerWaalsContact O-CG 3.26Å; H732-R736 WeakPolarHBondContact O-CG 3.44Å; H732-R736 PolarHBondContact O-N 3.41Å; R736-E738 VanDerWaalsContact C-N 3.26Å; R736-E738 PolarHBondContact O-N 3.01Å; R736-S739 PolarHBondContact O-N 2.99Å; R736-S739 PolarHBondContact O-OG 3.38Å; R736-E740 WeakPolarHBondContact O-CG 3.46Å; R736-E740 PolarHBondContact O-N 3.49Å; R736-E808 WeakPolarHBondContact CB-OE1 2.95Å; R736-E808 VanDerWaalsContact CD-CD 3.41Å; R736-E808 HydrophobicContact CG-CG 3.98Å; R736-E808 VanDerWaalsContact CG-OE1 3.25Å; R736-E808 WeakPolarHBondContact CG-OE1 3.42Å; R736-E811 IonicContact CZ-OE2 3.07Å; R736-E811 IonicContact NE-OE2 3.06Å; R736-E811 VanDerWaalsContact NH2-CB 3.32Å; R736-E811 IonicContact NH2-OE2 2.77Å; R736-E811 PolarHBondContact NH2-OE2 3.37Å; R736-D812 IonicContact CZ-OD1 3.4Å; R736-D812 VanDerWaalsContact CZ-OD1 3.28Å; R736-D812 IonicContact NH1-OD1 2.78Å; R736-D812 PolarHBondContact NH1-OD1 2.7Å; R736-D812 IonicContact NH1-OD2 3.88Å; R736-D812 PolarHBondContact NH1-OD2 2.83Å; R736-D812 IonicContact NH2-OD1 3.18Å; R736-D812 PolarHBondContact NH2-OD1 3.47Å
737R89.4Confident86.9Confident78 Ų7845.9 Ų45.929%0.29422%0.221SC..Hα-helixtrans-65.5-31175.9-173.857.5-177.7157.911.5112.4E686 I690 L733 L734 E740 L741E686-R737 IonicContact OE1-CZ 3.28Å; E686-R737 IonicContact OE1-NE 2.72Å; E686-R737 PolarHBondContact OE1-NE 3.34Å; E686-R737 IonicContact OE1-NH2 2.64Å; E686-R737 PolarHBondContact OE1-NH2 3.46Å; E686-R737 IonicContact OE2-CZ 3.01Å; E686-R737 IonicContact OE2-NE 3.11Å; E686-R737 IonicContact OE2-NH2 2.78Å; E686-R737 PolarHBondContact OE2-NH2 3.09Å; I690-R737 HydrophobicContact CD1-CB 4.1Å; I690-R737 HydrophobicContact CD1-CG 3.7Å; L733-R737 WeakPolarHBondContact O-CB 3.46Å; L733-R737 PolarHBondContact O-N 3.24Å; L733-R737 VanDerWaalsContact O-N 3.17Å; L734-R737 PolarHBondContact O-N 3.07Å; R737-E740 WeakPolarHBondContact CD-OE2 3.43Å; R737-E740 IonicContact CZ-OE2 3.95Å; R737-E740 IonicContact NE-OE2 3Å; R737-E740 IonicContact NH1-OE2 2.89Å; R737-E740 PolarHBondContact NH1-OE2 3.49Å; R737-L741 HydrophobicContact CG-CD1 4.5Å; R737-L741 WeakPolarHBondContact O-CD1 3.5Å; R737-L741 VanDerWaalsContact O-CG 3.25Å; R737-L741 WeakPolarHBondContact O-CG 3.47Å; R737-L741 PolarHBondContact O-N 3.36Å
738E86.9Confident87Confident30 Ų3046.5 Ų46.514%0.1422%0.224CC..Hα-helixtrans-67.9-43.6171.4157.5169.4-122.100111.7M687 I690 L694 L734 V735 R736 L741 I742M687-E738 HydrophobicContact SD-CB 3.82Å; M687-E738 HydrophobicContact SD-CG 3.69Å; I690-E738 HydrophobicContact CD1-CB 4.46Å; I690-E738 HydrophobicContact CG2-CB 3.98Å; L694-E738 WeakPolarHBondContact CD1-OE2 3.27Å; L734-E738 WeakPolarHBondContact O-CB 3.35Å; L734-E738 PolarHBondContact O-N 2.73Å; V735-E738 WeakPolarHBondContact O-CB 3.48Å; V735-E738 PolarHBondContact O-N 2.83Å; R736-E738 VanDerWaalsContact C-N 3.26Å; R736-E738 PolarHBondContact O-N 3.01Å; E738-L741 PolarHBondContact O-N 3.3Å; E738-I742 HydrophobicContact CG-CD1 4.27Å; E738-I742 VanDerWaalsContact O-CG1 3.32Å; E738-I742 WeakPolarHBondContact O-CG1 3.41Å; E738-I742 PolarHBondContact O-N 3.42Å; E738-I742 VanDerWaalsContact O-N 3.11Å
739S84.2Confident87.4Confident33 Ų3348.7 Ų48.723%0.23124%0.236CC..Hα-helixtrans-66.8-43.7173.8620000112.8V735 R736 L741 I742 Y743V735-S739 PolarHBondContact O-N 3.3Å; R736-S739 PolarHBondContact O-N 2.99Å; R736-S739 PolarHBondContact O-OG 3.38Å; S739-L741 VanDerWaalsContact C-N 3.29Å; S739-L741 PolarHBondContact O-N 2.83Å; S739-I742 PolarHBondContact O-N 2.88Å; S739-I742 VanDerWaalsContact O-N 3.12Å; S739-Y743 WeakPolarHBondContact O-CD2 3.22Å; S739-Y743 PolarHBondContact O-N 3.36Å
740E87.5Confident88Confident73 Ų7347.5 Ų47.534%0.34123%0.231SC..Hα-helixtrans-49.2-50.1172.7-79.7-168.4142.900111.5R736 R737 Y743 V744R736-E740 WeakPolarHBondContact O-CG 3.46Å; R736-E740 PolarHBondContact O-N 3.49Å; R737-E740 WeakPolarHBondContact CD-OE2 3.43Å; R737-E740 IonicContact CZ-OE2 3.95Å; R737-E740 IonicContact NE-OE2 3Å; R737-E740 IonicContact NH1-OE2 2.89Å; R737-E740 PolarHBondContact NH1-OE2 3.49Å; E740-Y743 PolarHBondContact O-N 3.29Å; E740-V744 WeakPolarHBondContact O-CG2 3.48Å; E740-V744 PolarHBondContact O-N 3.16Å
741L90.8Very high88.2Confident1 Ų145.9 Ų45.91%0.00522%0.223CC..Hα-helixtrans-66-37.9-178.8-74.9169.3000112.4I683 E686 M687 I690 R737 E738 S739 V744 F745I683-L741 HydrophobicContact CG2-CB 4.22Å; I683-L741 HydrophobicContact CG2-CD2 4.27Å; E686-L741 HydrophobicContact CB-CD1 3.84Å; E686-L741 HydrophobicContact CG-CD1 3.83Å; M687-L741 HydrophobicContact CE-CB 3.53Å; M687-L741 HydrophobicContact CE-CD1 4.28Å; I690-L741 HydrophobicContact CD1-CD1 3.52Å; R737-L741 HydrophobicContact CG-CD1 4.5Å; R737-L741 WeakPolarHBondContact O-CD1 3.5Å; R737-L741 VanDerWaalsContact O-CG 3.25Å; R737-L741 WeakPolarHBondContact O-CG 3.47Å; R737-L741 PolarHBondContact O-N 3.36Å; E738-L741 PolarHBondContact O-N 3.3Å; S739-L741 VanDerWaalsContact C-N 3.29Å; S739-L741 PolarHBondContact O-N 2.83Å; L741-V744 PolarHBondContact O-N 2.81Å; L741-F745 WeakPolarHBondContact O-CB 3.45Å; L741-F745 PolarHBondContact O-N 3.47Å
742I86.3Confident88.5Confident51 Ų5148.2 Ų48.226%0.26224%0.235SC..Hα-helixtrans-62.8-44.6173.3-69.4164.3000110.7M687 E738 S739 F745 K746M687-I742 HydrophobicContact CE-CD1 4.49Å; M687-I742 HydrophobicContact CE-CG1 3.8Å; E738-I742 HydrophobicContact CG-CD1 4.27Å; E738-I742 VanDerWaalsContact O-CG1 3.32Å; E738-I742 WeakPolarHBondContact O-CG1 3.41Å; E738-I742 PolarHBondContact O-N 3.42Å; E738-I742 VanDerWaalsContact O-N 3.11Å; S739-I742 PolarHBondContact O-N 2.88Å; S739-I742 VanDerWaalsContact O-N 3.12Å; I742-F745 PolarHBondContact O-N 3.22Å; I742-K746 HydrophobicContact CG2-CD 4.09Å; I742-K746 WeakPolarHBondContact O-CG 3.35Å; I742-K746 PolarHBondContact O-N 3.19Å
743Y87.9Confident89Confident41 Ų4149.6 Ų49.616%0.16124%0.238CC..Hα-helixtrans-66.1-40.5177.2-67.8-61.9000112.2S739 E740 K746 Q747 I797 C800 L801 D804S739-Y743 WeakPolarHBondContact O-CD2 3.22Å; S739-Y743 PolarHBondContact O-N 3.36Å; E740-Y743 PolarHBondContact O-N 3.29Å; Y743-K746 PolarHBondContact O-N 3.16Å; Y743-Q747 VanDerWaalsContact O-CB 3.26Å; Y743-Q747 WeakPolarHBondContact O-CB 3.22Å; Y743-Q747 PolarHBondContact O-N 3Å; Y743-I797 HydrophobicContact CD1-CG2 4.06Å; Y743-I797 HydrophobicContact CG-CG2 4.47Å; Y743-C800 HydrophobicContact CE1-CB 3.95Å; Y743-L801 HydrophobicContact CD2-CD2 3.37Å; Y743-L801 HydrophobicContact CD2-CG 3.92Å; Y743-L801 HydrophobicContact CE2-CD2 4.02Å; Y743-L801 HydrophobicContact CE2-CG 4.45Å; Y743-L801 HydrophobicContact CG-CD1 4.49Å; Y743-L801 HydrophobicContact CG-CD2 3.81Å; Y743-L801 HydrophobicContact CG-CG 3.94Å; Y743-D804 VanDerWaalsContact CE2-OD2 3.32Å; Y743-D804 WeakPolarHBondContact CE2-OD2 3.04Å; Y743-D804 PolarHBondContact OH-OD2 3.16Å
744V90.2Very high89.5Confident48 Ų4847.1 Ų47.129%0.29123%0.225SC..Hα-helixtrans-60.5-45.6174.5168.90000111.1I678 I683 E740 L741 Q747 Q748I678-V744 HydrophobicContact CD1-CG1 4.32Å; I683-V744 HydrophobicContact CD1-CG1 4.15Å; E740-V744 WeakPolarHBondContact O-CG2 3.48Å; E740-V744 PolarHBondContact O-N 3.16Å; L741-V744 PolarHBondContact O-N 2.81Å; V744-Q747 PolarHBondContact O-N 2.74Å; V744-Q748 WeakPolarHBondContact O-CG 3.5Å; V744-Q748 PolarHBondContact O-N 3.23Å
745F89.8Confident89.6Confident63 Ų6346.4 Ų46.428%0.27622%0.221SC..Hα-helixtrans-61.9-46.1176.5177.8-103.2000112.3E680 I683 L741 I742 Q748 N749E680-F745 HydrophobicContact CG-CD2 4.37Å; E680-F745 HydrophobicContact CG-CE2 3.99Å; I683-F745 HydrophobicContact CD1-CB 4.19Å; I683-F745 HydrophobicContact CD1-CD2 4.43Å; I683-F745 HydrophobicContact CG2-CB 4.35Å; L741-F745 WeakPolarHBondContact O-CB 3.45Å; L741-F745 PolarHBondContact O-N 3.47Å; I742-F745 PolarHBondContact O-N 3.22Å; F745-Q748 PolarHBondContact O-N 2.84Å; F745-N749 WeakPolarHBondContact CE1-ND2 3.43Å; F745-N749 WeakPolarHBondContact CE2-ND2 3.32Å; F745-N749 VanDerWaalsContact CZ-ND2 3.3Å; F745-N749 WeakPolarHBondContact CZ-ND2 3.35Å; F745-N749 PolarHBondContact O-N 3.39Å; F745-N749 VanDerWaalsContact O-N 3.13Å; F745-N749 PolarHBondContact O-ND2 2.93Å
746K88.7Confident90.1Very high95 Ų9545.1 Ų45.141%0.41321%0.211SC..Hα-helixtrans-60-47.2175.6-73173.5177.7178.40111.5I742 Y743 Q748 N749 L750 I797I742-K746 HydrophobicContact CG2-CD 4.09Å; I742-K746 WeakPolarHBondContact O-CG 3.35Å; I742-K746 PolarHBondContact O-N 3.19Å; Y743-K746 PolarHBondContact O-N 3.16Å; K746-Q748 PolarHBondContact O-N 3.34Å; K746-N749 PolarHBondContact O-N 3.03Å; K746-L750 WeakPolarHBondContact O-CG 3.45Å; K746-L750 PolarHBondContact O-N 2.89Å; K746-I797 HydrophobicContact CB-CD1 3.64Å
747Q91.4Very high90.6Very high34 Ų3444.1 Ų44.116%0.15921%0.208CC..Hα-helixtrans-60.3-44.7179.7179.268.33.400112.2Y743 V744 N749 L750 E751 R794Y743-Q747 VanDerWaalsContact O-CB 3.26Å; Y743-Q747 WeakPolarHBondContact O-CB 3.22Å; Y743-Q747 PolarHBondContact O-N 3Å; V744-Q747 PolarHBondContact O-N 2.74Å; Q747-N749 PolarHBondContact O-N 3.48Å; Q747-L750 PolarHBondContact O-N 2.67Å; Q747-E751 PolarHBondContact NE2-OE1 2.72Å; Q747-E751 WeakPolarHBondContact O-CB 2.91Å; Q747-E751 WeakPolarHBondContact O-CG 3.31Å; Q747-E751 PolarHBondContact O-N 3.03Å; Q747-R794 VanDerWaalsContact NE2-NE 3.13Å; Q747-R794 VanDerWaalsContact NE2-NH2 3.13Å
748Q91.7Very high90.8Very high23 Ų2342.8 Ų42.811%0.10721%0.205CC..Hα-helixtrans-61.8-42.4176.7-72.5-176.930.800112.2Y677 I678 V744 F745 K746 E751 Q752Y677-Q748 HydrophobicContact CD2-CG 4.27Å; I678-Q748 VanDerWaalsContact N-NE2 3.11Å; I678-Q748 PolarHBondContact O-NE2 3.43Å; I678-Q748 PolarHBondContact O-OE1 2.99Å; I678-Q748 VanDerWaalsContact O-OE1 3.09Å; V744-Q748 WeakPolarHBondContact O-CG 3.5Å; V744-Q748 PolarHBondContact O-N 3.23Å; F745-Q748 PolarHBondContact O-N 2.84Å; K746-Q748 PolarHBondContact O-N 3.34Å; Q748-E751 PolarHBondContact O-N 2.95Å; Q748-Q752 WeakPolarHBondContact O-CB 3.42Å; Q748-Q752 PolarHBondContact O-N 2.89Å
749N91.5Very high91.2Very high74 Ų7444.7 Ų44.740%0.39621%0.211SC..Hα-helixtrans-61.9-45176.6-83.7-74.4000112F745 K746 Q747 Q752 R753F745-N749 WeakPolarHBondContact CE1-ND2 3.43Å; F745-N749 WeakPolarHBondContact CE2-ND2 3.32Å; F745-N749 VanDerWaalsContact CZ-ND2 3.3Å; F745-N749 WeakPolarHBondContact CZ-ND2 3.35Å; F745-N749 PolarHBondContact O-N 3.39Å; F745-N749 VanDerWaalsContact O-N 3.13Å; F745-N749 PolarHBondContact O-ND2 2.93Å; K746-N749 PolarHBondContact O-N 3.03Å; Q747-N749 PolarHBondContact O-N 3.48Å; N749-Q752 PolarHBondContact O-N 3.19Å; N749-R753 PolarHBondContact O-N 3Å
750L93.4Very high91.7Very high25 Ų2546.9 Ų46.913%0.13122%0.218CC..Hα-helixtrans-65.6-38.6175.8-63.8176.8000112.1K746 Q747 Q752 R753 Q754 L790 Q793 R794 I797K746-L750 WeakPolarHBondContact O-CG 3.45Å; K746-L750 PolarHBondContact O-N 2.89Å; Q747-L750 PolarHBondContact O-N 2.67Å; L750-Q752 VanDerWaalsContact C-N 3.33Å; L750-Q752 PolarHBondContact O-N 2.9Å; L750-R753 PolarHBondContact O-N 3.44Å; L750-Q754 VanDerWaalsContact O-CB 3.24Å; L750-Q754 WeakPolarHBondContact O-CB 3.2Å; L750-Q754 PolarHBondContact O-N 3.1Å; L750-L790 HydrophobicContact CD2-CD2 3.67Å; L750-Q793 HydrophobicContact CD1-CB 3.75Å; L750-Q793 HydrophobicContact CD2-CB 4.3Å; L750-Q793 VanDerWaalsContact CD2-OE1 3.24Å; L750-R794 HydrophobicContact CB-CG 3.53Å; L750-R794 HydrophobicContact CD1-CG 3.64Å; L750-R794 HydrophobicContact CG-CG 4.24Å; L750-I797 HydrophobicContact CD1-CD1 3.6Å
751E91.7Very high92Very high41 Ų4144.1 Ų44.119%0.19221%0.206CC..Hα-helixtrans-64.1-36.4174.6-78-176.5-165.400112.8V672 Q747 Q748 A755 R794V672-E751 HydrophobicContact CG1-CB 4.21Å; V672-E751 WeakPolarHBondContact CG2-O 3.22Å; Q747-E751 PolarHBondContact NE2-OE1 2.72Å; Q747-E751 WeakPolarHBondContact O-CB 2.91Å; Q747-E751 WeakPolarHBondContact O-CG 3.31Å; Q747-E751 PolarHBondContact O-N 3.03Å; Q748-E751 PolarHBondContact O-N 2.95Å; E751-A755 PolarHBondContact O-N 2.94Å; E751-A755 VanDerWaalsContact O-N 3.11Å; E751-R794 VanDerWaalsContact CD-NH2 3.32Å; E751-R794 VanDerWaalsContact CG-NE 3.33Å; E751-R794 VanDerWaalsContact CG-NH2 3.31Å; E751-R794 IonicContact OE1-CZ 2.76Å; E751-R794 IonicContact OE1-NE 2.79Å; E751-R794 IonicContact OE1-NH2 3.96Å; E751-R794 PolarHBondContact OE1-NH2 2.91Å
752Q91.9Very high92.1Very high77 Ų7748 Ų4836%0.3622%0.22SC..Hα-helixtrans-73.5-44.5174.9-172.954.371.500111.6Q748 N749 L750 Q754 A755 D756Q748-Q752 WeakPolarHBondContact O-CB 3.42Å; Q748-Q752 PolarHBondContact O-N 2.89Å; N749-Q752 PolarHBondContact O-N 3.19Å; L750-Q752 VanDerWaalsContact C-N 3.33Å; L750-Q752 PolarHBondContact O-N 2.9Å; Q752-Q754 VanDerWaalsContact C-N 3.31Å; Q752-Q754 PolarHBondContact O-N 2.94Å; Q752-A755 WeakPolarHBondContact O-CB 3.47Å; Q752-A755 PolarHBondContact O-N 3.19Å; Q752-A755 VanDerWaalsContact O-N 3.08Å; Q752-D756 PolarHBondContact NE2-OD1 2.74Å; Q752-D756 PolarHBondContact O-N 3.19Å
753R94.6Very high92.3Very high79 Ų7947.9 Ų47.930%0.29822%0.223SC..Hα-helixtrans-63.1-37.9175-176.462-166.6138.64.5111.6N749 L750 A755 D756 V757 E760 E786 L790N749-R753 PolarHBondContact O-N 3Å; L750-R753 PolarHBondContact O-N 3.44Å; R753-A755 VanDerWaalsContact C-N 3.32Å; R753-A755 PolarHBondContact O-N 3.46Å; R753-D756 WeakPolarHBondContact O-CB 3.16Å; R753-D756 PolarHBondContact O-N 3.03Å; R753-D756 VanDerWaalsContact O-N 3.09Å; R753-V757 HydrophobicContact CG-CG2 4.4Å; R753-V757 VanDerWaalsContact CZ-CG2 3.47Å; R753-V757 WeakPolarHBondContact O-CG2 3.32Å; R753-V757 PolarHBondContact O-N 3.2Å; R753-E760 IonicContact CZ-OE1 3.58Å; R753-E760 IonicContact NH1-OE1 2.87Å; R753-E760 PolarHBondContact NH1-OE1 3.35Å; R753-E760 IonicContact NH2-OE1 2.61Å; R753-E786 IonicContact CZ-OE1 3.59Å; R753-E786 IonicContact CZ-OE2 3.69Å; R753-E786 IonicContact NE-OE1 3.21Å; R753-E786 PolarHBondContact NE-OE1 2.63Å; R753-E786 IonicContact NE-OE2 3.2Å; R753-E786 IonicContact NH2-OE1 2.7Å; R753-E786 PolarHBondContact NH2-OE1 3.41Å; R753-E786 IonicContact NH2-OE2 3.87Å; R753-E786 PolarHBondContact NH2-OE2 3.44Å; R753-L790 HydrophobicContact CB-CD1 4.38Å; R753-L790 HydrophobicContact CB-CD2 4.13Å; R753-L790 HydrophobicContact CG-CD1 3.85Å; R753-L790 HydrophobicContact CG-CD2 3.95Å
754Q94.2Very high92.5Very high23 Ų2346.8 Ų46.811%0.10722%0.22CC..Hα-helixtrans-60.7-40172.1-172-174.7-26.900112L750 Q752 D756 E758 L787 L790L750-Q754 VanDerWaalsContact O-CB 3.24Å; L750-Q754 WeakPolarHBondContact O-CB 3.2Å; L750-Q754 PolarHBondContact O-N 3.1Å; Q752-Q754 VanDerWaalsContact C-N 3.31Å; Q752-Q754 PolarHBondContact O-N 2.94Å; Q754-D756 PolarHBondContact O-N 3.27Å; Q754-E758 HydrophobicContact CG-CG 4.49Å; Q754-E758 WeakPolarHBondContact CG-OE1 3.37Å; Q754-E758 PolarHBondContact NE2-OE1 3Å; Q754-E758 VanDerWaalsContact O-CB 3.3Å; Q754-E758 WeakPolarHBondContact O-CB 3.31Å; Q754-E758 WeakPolarHBondContact O-CG 3.44Å; Q754-E758 PolarHBondContact O-N 2.78Å; Q754-L787 HydrophobicContact CG-CD1 3.65Å; Q754-L790 HydrophobicContact CB-CD1 4.43Å
755A91.6Very high92.4Very high0 Ų048.3 Ų48.30%023%0.226CC..Hα-helixtrans-65.1-27.2175.400000113.6R670 V672 E751 Q752 R753 Y759R670-A755 HydrophobicContact CG-CB 3.97Å; V672-A755 HydrophobicContact CG2-CB 3.69Å; E751-A755 PolarHBondContact O-N 2.94Å; E751-A755 VanDerWaalsContact O-N 3.11Å; Q752-A755 WeakPolarHBondContact O-CB 3.47Å; Q752-A755 PolarHBondContact O-N 3.19Å; Q752-A755 VanDerWaalsContact O-N 3.08Å; R753-A755 VanDerWaalsContact C-N 3.32Å; R753-A755 PolarHBondContact O-N 3.46Å; A755-Y759 WeakPolarHBondContact O-CB 3.31Å; A755-Y759 PolarHBondContact O-N 2.86Å
756D93.9Very high92.4Very high37 Ų3747.8 Ų47.820%0.19823%0.226CC..Hα-helixtrans-77.4-53.7176.3-74.234.4000110.7K669 Q752 R753 Q754 E758 Y759 E760K669-D756 WeakPolarHBondContact CE-OD1 3.41Å; K669-D756 IonicContact NZ-OD1 2.64Å; K669-D756 PolarHBondContact NZ-OD1 3.21Å; K669-D756 IonicContact NZ-OD2 2.81Å; K669-D756 PolarHBondContact NZ-OD2 3.26Å; Q752-D756 PolarHBondContact NE2-OD1 2.74Å; Q752-D756 PolarHBondContact O-N 3.19Å; R753-D756 WeakPolarHBondContact O-CB 3.16Å; R753-D756 PolarHBondContact O-N 3.03Å; R753-D756 VanDerWaalsContact O-N 3.09Å; Q754-D756 PolarHBondContact O-N 3.27Å; D756-E758 VanDerWaalsContact C-N 3.34Å; D756-E758 PolarHBondContact O-N 3.14Å; D756-Y759 CarbonylContact O-C 3.52Å; D756-Y759 WeakPolarHBondContact O-CA 3.48Å; D756-Y759 WeakPolarHBondContact O-CB 3.08Å; D756-Y759 PolarHBondContact O-N 3.17Å; D756-E760 WeakPolarHBondContact O-CG 3.41Å; D756-E760 PolarHBondContact O-N 3.29Å
757V95.3Very high92.4Very high0 Ų046.8 Ų46.80%022%0.222CC..Hα-helixtrans-55.1-46.5175.3174.50000111.4R753 Y759 E760 L761 L783 E786 L787 L790R753-V757 HydrophobicContact CG-CG2 4.4Å; R753-V757 VanDerWaalsContact CZ-CG2 3.47Å; R753-V757 WeakPolarHBondContact O-CG2 3.32Å; R753-V757 PolarHBondContact O-N 3.2Å; V757-Y759 PolarHBondContact O-N 2.59Å; V757-E760 PolarHBondContact O-N 2.89Å; V757-L761 VanDerWaalsContact O-CB 3.27Å; V757-L761 WeakPolarHBondContact O-CB 3.39Å; V757-L761 PolarHBondContact O-N 2.9Å; V757-L783 HydrophobicContact CG1-CB 4.23Å; V757-L783 HydrophobicContact CG1-CD2 4.08Å; V757-L783 WeakPolarHBondContact CG1-O 3.48Å; V757-E786 HydrophobicContact CG2-CG 4.1Å; V757-E786 WeakPolarHBondContact CG2-OE2 3.46Å; V757-L787 HydrophobicContact CG1-CB 3.99Å; V757-L790 HydrophobicContact CB-CD1 4.44Å; V757-L790 HydrophobicContact CG2-CD1 3.82Å
758E94.1Very high92.2Very high50 Ų5046.8 Ų46.823%0.23422%0.224CC..Hα-helixtrans-64.8-21.7174.8-77.5176.4-148.800113.9R670 Q754 D756 R762 L787R670-E758 IonicContact CZ-OE1 3.22Å; R670-E758 IonicContact CZ-OE2 3.24Å; R670-E758 VanDerWaalsContact CZ-OE2 3.28Å; R670-E758 IonicContact NE-OE1 3.13Å; R670-E758 IonicContact NE-OE2 3.16Å; R670-E758 PolarHBondContact NE-OE2 2.8Å; R670-E758 IonicContact NH2-OE1 3.42Å; R670-E758 PolarHBondContact NH2-OE1 3.14Å; R670-E758 IonicContact NH2-OE2 2.73Å; R670-E758 PolarHBondContact NH2-OE2 2.79Å; Q754-E758 HydrophobicContact CG-CG 4.49Å; Q754-E758 WeakPolarHBondContact CG-OE1 3.37Å; Q754-E758 PolarHBondContact NE2-OE1 3Å; Q754-E758 VanDerWaalsContact O-CB 3.3Å; Q754-E758 WeakPolarHBondContact O-CB 3.31Å; Q754-E758 WeakPolarHBondContact O-CG 3.44Å; Q754-E758 PolarHBondContact O-N 2.78Å; D756-E758 VanDerWaalsContact C-N 3.34Å; D756-E758 PolarHBondContact O-N 3.14Å; E758-R762 WeakPolarHBondContact O-CB 3.32Å; E758-R762 WeakPolarHBondContact O-CG 3.4Å; E758-R762 PolarHBondContact O-N 3.26Å; E758-R762 PolarHBondContact O-NE 2.93Å; E758-L787 HydrophobicContact CG-CD1 4.22Å
759Y93.9Very high91.7Very high70 Ų7052.8 Ų52.828%0.27525%0.253SS..Hα-helixtrans-83.7-43.1173.9173.5-101.2000111.5L667 K669 A755 D756 V757 R762 C763L667-Y759 HydrophobicContact CB-CE2 3.86Å; K669-Y759 VanDerWaalsContact CA-CD2 3.43Å; K669-Y759 HydrophobicContact CB-CD1 4.3Å; K669-Y759 HydrophobicContact CB-CD2 3.67Å; K669-Y759 HydrophobicContact CB-CE2 3.92Å; K669-Y759 HydrophobicContact CB-CG 3.86Å; K669-Y759 HydrophobicContact CD-CD1 4.26Å; K669-Y759 HydrophobicContact CD-CG 4.36Å; K669-Y759 HydrophobicContact CG-CD1 4.29Å; K669-Y759 HydrophobicContact CG-CD2 4.2Å; K669-Y759 HydrophobicContact CG-CG 3.89Å; A755-Y759 WeakPolarHBondContact O-CB 3.31Å; A755-Y759 PolarHBondContact O-N 2.86Å; D756-Y759 CarbonylContact O-C 3.52Å; D756-Y759 WeakPolarHBondContact O-CA 3.48Å; D756-Y759 WeakPolarHBondContact O-CB 3.08Å; D756-Y759 PolarHBondContact O-N 3.17Å; V757-Y759 PolarHBondContact O-N 2.59Å; Y759-R762 PolarHBondContact O-N 3.39Å; Y759-C763 VanDerWaalsContact CZ-SG 3.51Å; Y759-C763 PolarHBondContact O-N 2.95Å; Y759-C763 PolarHBondContact O-SG 2.81Å
760E94.4Very high91.5Very high79 Ų7957.1 Ų57.137%0.36927%0.268SS..Hα-helixtrans-59.9-48.6174.5-67.9175.7-114.300111R753 D756 V757 R762 C763 L764 L783R753-E760 IonicContact CZ-OE1 3.58Å; R753-E760 IonicContact NH1-OE1 2.87Å; R753-E760 PolarHBondContact NH1-OE1 3.35Å; R753-E760 IonicContact NH2-OE1 2.61Å; D756-E760 WeakPolarHBondContact O-CG 3.41Å; D756-E760 PolarHBondContact O-N 3.29Å; V757-E760 PolarHBondContact O-N 2.89Å; E760-R762 PolarHBondContact O-N 3.36Å; E760-C763 WeakPolarHBondContact O-CB 3.45Å; E760-C763 PolarHBondContact O-N 3.12Å; E760-C763 VanDerWaalsContact O-N 3.08Å; E760-L764 PolarHBondContact O-N 3.5Å; E760-L783 HydrophobicContact CB-CD1 3.96Å; E760-L783 HydrophobicContact CB-CD2 3.96Å
761L94.1Very high91.2Very high16 Ų1659.5 Ų59.58%0.08428%0.281CS..Hα-helixtrans-60.3-43.2175.3-176.765.7000111.5V757 C763 L764 L765 E780 L783 M784V757-L761 VanDerWaalsContact O-CB 3.27Å; V757-L761 WeakPolarHBondContact O-CB 3.39Å; V757-L761 PolarHBondContact O-N 2.9Å; L761-C763 VanDerWaalsContact C-N 3.31Å; L761-C763 PolarHBondContact O-N 3.48Å; L761-L764 WeakPolarHBondContact O-CB 3.38Å; L761-L764 PolarHBondContact O-N 3.48Å; L761-L765 HydrophobicContact CD1-CD1 4.27Å; L761-L765 HydrophobicContact CD1-CG 4.28Å; L761-L765 HydrophobicContact CG-CD1 3.97Å; L761-L765 HydrophobicContact CG-CG 4.34Å; L761-L765 WeakPolarHBondContact O-CB 3.45Å; L761-L765 VanDerWaalsContact O-CG 3.25Å; L761-L765 WeakPolarHBondContact O-CG 3.37Å; L761-L765 PolarHBondContact O-N 3.07Å; L761-E780 HydrophobicContact CD1-CG 4.11Å; L761-L783 HydrophobicContact CB-CB 4.5Å; L761-L783 HydrophobicContact CB-CD1 4.45Å; L761-L783 HydrophobicContact CD1-CB 4.42Å; L761-M784 HydrophobicContact CD1-CG 4.36Å; L761-M784 HydrophobicContact CD1-SD 4.46Å; L761-M784 HydrophobicContact CD2-CG 4.43Å; L761-M784 HydrophobicContact CD2-SD 3.56Å; L761-M784 VanDerWaalsContact CD2-SD 3.56Å
762R93.1Very high91.3Very high83 Ų8359.3 Ų59.331%0.31328%0.278SS..Hα-helixtrans-63.4-35174-80.6-178.2-61.9135.3-0.9112.8L667 I668 E758 Y759 E760 N766L667-R762 VanDerWaalsContact CD1-C 3.49Å; L667-R762 HydrophobicContact CD1-CB 4.24Å; L667-R762 VanDerWaalsContact CD1-O 3.24Å; L667-R762 WeakPolarHBondContact CD1-O 3.36Å; L667-R762 HydrophobicContact CD2-CB 4.3Å; I668-R762 PolarHBondContact O-NH1 2.95Å; I668-R762 PolarHBondContact O-NH2 3Å; E758-R762 WeakPolarHBondContact O-CB 3.32Å; E758-R762 WeakPolarHBondContact O-CG 3.4Å; E758-R762 PolarHBondContact O-N 3.26Å; E758-R762 PolarHBondContact O-NE 2.93Å; Y759-R762 PolarHBondContact O-N 3.39Å; E760-R762 PolarHBondContact O-N 3.36Å; R762-N766 VanDerWaalsContact O-CB 3.25Å; R762-N766 WeakPolarHBondContact O-CB 3.49Å; R762-N766 PolarHBondContact O-N 2.94Å
763C91.3Very high91.4Very high47 Ų4758.5 Ų58.532%0.31828%0.279SS..Hα-helixtrans-64.7-43.6175-71.50000111.4L667 Y759 E760 L761 N766L667-C763 VanDerWaalsContact CD1-CA 3.46Å; L667-C763 HydrophobicContact CD1-CB 4.21Å; Y759-C763 VanDerWaalsContact CZ-SG 3.51Å; Y759-C763 PolarHBondContact O-N 2.95Å; Y759-C763 PolarHBondContact O-SG 2.81Å; E760-C763 WeakPolarHBondContact O-CB 3.45Å; E760-C763 PolarHBondContact O-N 3.12Å; E760-C763 VanDerWaalsContact O-N 3.08Å; L761-C763 VanDerWaalsContact C-N 3.31Å; L761-C763 PolarHBondContact O-N 3.48Å; C763-N766 PolarHBondContact O-N 2.79Å
764L91.1Very high91.4Very high18 Ų1859.8 Ų59.89%0.09429%0.288CS..Hα-helixtrans-62.4-51.2175.6-167.766000111.7E760 L761 N766 K767 D776 R779 E780 L783E760-L764 PolarHBondContact O-N 3.5Å; L761-L764 WeakPolarHBondContact O-CB 3.38Å; L761-L764 PolarHBondContact O-N 3.48Å; L764-N766 PolarHBondContact O-N 3.17Å; L764-N766 VanDerWaalsContact O-N 3.15Å; L764-K767 WeakPolarHBondContact O-CB 3.46Å; L764-K767 PolarHBondContact O-N 3.32Å; L764-D776 HydrophobicContact CD1-CB 3.84Å; L764-R779 HydrophobicContact CD2-CB 4.19Å; L764-E780 HydrophobicContact CD2-CB 3.76Å; L764-L783 HydrophobicContact CD2-CD1 4.39Å
765L89.4Confident91.4Very high81 Ų8164.2 Ų64.242%0.42431%0.309SS..Hα-helixtrans-65.8-13.9177.1-64.3178.2000114.1L761 W772L761-L765 HydrophobicContact CD1-CD1 4.27Å; L761-L765 HydrophobicContact CD1-CG 4.28Å; L761-L765 HydrophobicContact CG-CD1 3.97Å; L761-L765 HydrophobicContact CG-CG 4.34Å; L761-L765 WeakPolarHBondContact O-CB 3.45Å; L761-L765 VanDerWaalsContact O-CG 3.25Å; L761-L765 WeakPolarHBondContact O-CG 3.37Å; L761-L765 PolarHBondContact O-N 3.07Å; L765-W772 HydrophobicContact CD2-CH2 3.63Å; L765-W772 HydrophobicContact CD2-CZ2 3.73Å
766N89.9Confident91.5Very high51 Ų5164.8 Ų64.827%0.27331%0.312SS..THydrogen-bonded Turntrans-87.8-7.1171.8179.661.5000112.9H663 G664 L667 R762 C763 L764H663-N766 WeakPolarHBondContact CB-O 3.44Å; H663-N766 PolarHBondContact ND1-O 3.26Å; G664-N766 PolarHBondContact N-OD1 3.46Å; L667-N766 HydrophobicContact CD1-CB 3.75Å; R762-N766 VanDerWaalsContact O-CB 3.25Å; R762-N766 WeakPolarHBondContact O-CB 3.49Å; R762-N766 PolarHBondContact O-N 2.94Å; C763-N766 PolarHBondContact O-N 2.79Å; L764-N766 PolarHBondContact O-N 3.17Å; L764-N766 VanDerWaalsContact O-N 3.15Å
767K88.3Confident91.5Very high74 Ų7467.5 Ų67.532%0.32232%0.319SS..SBendtrans-75.3131.9161.6-161.4-172.2-158.5-165.60108.3L764 E769 D771 W772 D776L764-K767 WeakPolarHBondContact O-CB 3.46Å; L764-K767 PolarHBondContact O-N 3.32Å; K767-E769 PolarHBondContact O-N 3.14Å; K767-D771 WeakPolarHBondContact CE-O 3.29Å; K767-D771 HydrophobicContact CG-CB 4.43Å; K767-D771 PolarHBondContact NZ-O 3.41Å; K767-W772 PolarHBondContact O-NE1 2.64Å; K767-D776 IonicContact NZ-OD2 3.09Å; K767-D776 PolarHBondContact NZ-OD2 3.33Å
768P86.1Confident91.5Very high34 Ų3469.7 Ų69.722%0.22134%0.337CS..  trans-64.5135.1175.528.2-36.1000110.7K770 D771P768-K770 HydrophobicContact CB-CG 4.23Å; P768-K770 PolarHBondContact O-N 3.11Å; P768-K770 VanDerWaalsContact O-N 3.08Å; P768-D771 HydrophobicContact CG-CB 4.27Å; P768-D771 VanDerWaalsContact CG-OD2 3.23Å; P768-D771 WeakPolarHBondContact CG-OD2 3.27Å; P768-D771 PolarHBondContact O-N 3.27Å
769E82.2Confident91.6Very high149 Ų14974.3 Ų74.370%0.69635%0.353SS*.G310 helixtrans-51.2-36.9-172-168.2-177.7176.200114.2K767 D771 W772K767-E769 PolarHBondContact O-N 3.14Å; E769-D771 PolarHBondContact O-N 2.98Å; E769-D771 VanDerWaalsContact O-N 3.12Å; E769-W772 VanDerWaalsContact CA-CD1 3.49Å; E769-W772 WeakPolarHBondContact O-CB 3.38Å; E769-W772 PolarHBondContact O-N 3.3Å; E769-W772 VanDerWaalsContact O-N 3.08Å
770K87.1Confident91.7Very high166 Ų16672.9 Ų72.972%0.72235%0.348SS*.G310 helixtrans-59.4-19.6175.659.9165.1-168.175.80115P768P768-K770 HydrophobicContact CB-CG 4.23Å; P768-K770 PolarHBondContact O-N 3.11Å; P768-K770 VanDerWaalsContact O-N 3.08Å
771D88Confident91.7Very high75 Ų7575.5 Ų75.540%0.40136%0.359SS..G310 helixtrans-106.43.7-179-58.4-20.4000111.6K767 P768 E769K767-D771 WeakPolarHBondContact CE-O 3.29Å; K767-D771 HydrophobicContact CG-CB 4.43Å; K767-D771 PolarHBondContact NZ-O 3.41Å; P768-D771 HydrophobicContact CG-CB 4.27Å; P768-D771 VanDerWaalsContact CG-OD2 3.23Å; P768-D771 WeakPolarHBondContact CG-OD2 3.27Å; P768-D771 PolarHBondContact O-N 3.27Å; E769-D771 PolarHBondContact O-N 2.98Å; E769-D771 VanDerWaalsContact O-N 3.12Å
772W93.3Very high91.9Very high37 Ų3779.3 Ų79.314%0.1438%0.382CS..  trans-73.8130.9176.5-72.626.8000111.4L765 K767 E769 D776 R777 E780L765-W772 HydrophobicContact CD2-CH2 3.63Å; L765-W772 HydrophobicContact CD2-CZ2 3.73Å; K767-W772 PolarHBondContact O-NE1 2.64Å; E769-W772 VanDerWaalsContact CA-CD1 3.49Å; E769-W772 WeakPolarHBondContact O-CB 3.38Å; E769-W772 PolarHBondContact O-N 3.3Å; E769-W772 VanDerWaalsContact O-N 3.08Å; W772-D776 WeakPolarHBondContact CA-OD2 3.5Å; W772-D776 HydrophobicContact CB-CB 4.23Å; W772-D776 HydrophobicContact CG-CB 4.46Å; W772-R777 HydrophobicContact CE3-CG 4.17Å; W772-R777 HydrophobicContact CZ3-CG 4.32Å; W772-E780 WeakPolarHBondContact CH2-OE1 3.4Å; W772-E780 WeakPolarHBondContact CZ3-OE2 3.38Å
773T94.1Very high92.1Very high59 Ų5976.1 Ų76.136%0.36237%0.371SS..  trans-86.4-179.7171.771.60000111.1E775 D776 R777T773-E775 VanDerWaalsContact C-N 3.34Å; T773-E775 WeakPolarHBondContact CB-OE2 3.05Å; T773-E775 PolarHBondContact OG1-N 3.05Å; T773-E775 PolarHBondContact OG1-OE2 3.49Å; T773-D776 PolarHBondContact N-OD2 2.73Å; T773-D776 PolarHBondContact OG1-N 2.72Å; T773-R777 PolarHBondContact O-N 2.79Å
774E94.1Very high92.3Very high107 Ų10777.5 Ų77.550%0.537%0.374SS..Hα-helixtrans-72.6-31.9173.7-155.663.7-127.300111.2D776 R777 A778E774-D776 VanDerWaalsContact C-N 3.34Å; E774-D776 PolarHBondContact O-N 3.19Å; E774-R777 CarbonylContact O-C 3.59Å; E774-R777 PolarHBondContact O-N 3.12Å; E774-R777 VanDerWaalsContact O-N 3.14Å; E774-R777 IonicContact OE1-CZ 3.62Å; E774-R777 IonicContact OE1-NH1 2.77Å; E774-R777 PolarHBondContact OE1-NH1 3.14Å; E774-R777 IonicContact OE2-CZ 3.44Å; E774-R777 IonicContact OE2-NH1 2.63Å; E774-R777 PolarHBondContact OE2-NH1 3.36Å; E774-R777 IonicContact OE2-NH2 2.75Å; E774-A778 WeakPolarHBondContact O-CB 3.04Å; E774-A778 PolarHBondContact O-N 2.97Å
775E94.5Very high92.6Very high115 Ų11582.1 Ų82.154%0.53740%0.395SS..Hα-helixtrans-65.6-36.9174.2-51.678.3-173.300111.4T773 A778 R779T773-E775 VanDerWaalsContact C-N 3.34Å; T773-E775 WeakPolarHBondContact CB-OE2 3.05Å; T773-E775 PolarHBondContact OG1-N 3.05Å; T773-E775 PolarHBondContact OG1-OE2 3.49Å; E775-A778 PolarHBondContact O-N 2.94Å; E775-R779 WeakPolarHBondContact O-CB 3.45Å; E775-R779 WeakPolarHBondContact O-CD 3.25Å; E775-R779 WeakPolarHBondContact O-CG 3.11Å; E775-R779 PolarHBondContact O-N 3.18Å
776D93.8Very high93Very high12 Ų1280.7 Ų80.76%0.06439%0.386CS..Hα-helixtrans-61.9-44.3170.3-70.5-32.5000111L764 K767 W772 T773 E774 A778 R779 E780L764-D776 HydrophobicContact CD1-CB 3.84Å; K767-D776 IonicContact NZ-OD2 3.09Å; K767-D776 PolarHBondContact NZ-OD2 3.33Å; W772-D776 WeakPolarHBondContact CA-OD2 3.5Å; W772-D776 HydrophobicContact CB-CB 4.23Å; W772-D776 HydrophobicContact CG-CB 4.46Å; T773-D776 PolarHBondContact N-OD2 2.73Å; T773-D776 PolarHBondContact OG1-N 2.72Å; E774-D776 VanDerWaalsContact C-N 3.34Å; E774-D776 PolarHBondContact O-N 3.19Å; D776-A778 VanDerWaalsContact C-N 3.31Å; D776-A778 PolarHBondContact O-N 3.29Å; D776-R779 PolarHBondContact O-N 3.18Å; D776-R779 IonicContact OD1-NH1 3.79Å; D776-E780 PolarHBondContact O-N 3.26Å
777R93.4Very high93.4Very high95 Ų9579.6 Ų79.636%0.35838%0.38SS..Hα-helixtrans-72.1-23.4179.6-136.9177.3-55121.69.6113.4W772 T773 E774 K781W772-R777 HydrophobicContact CE3-CG 4.17Å; W772-R777 HydrophobicContact CZ3-CG 4.32Å; T773-R777 PolarHBondContact O-N 2.79Å; E774-R777 CarbonylContact O-C 3.59Å; E774-R777 PolarHBondContact O-N 3.12Å; E774-R777 VanDerWaalsContact O-N 3.14Å; E774-R777 IonicContact OE1-CZ 3.62Å; E774-R777 IonicContact OE1-NH1 2.77Å; E774-R777 PolarHBondContact OE1-NH1 3.14Å; E774-R777 IonicContact OE2-CZ 3.44Å; E774-R777 IonicContact OE2-NH1 2.63Å; E774-R777 PolarHBondContact OE2-NH1 3.36Å; E774-R777 IonicContact OE2-NH2 2.75Å; R777-K781 WeakPolarHBondContact O-CG 3.45Å
778A95.7Very high93.8Very high46 Ų4678.9 Ų78.938%0.3838%0.382SS..Hα-helixtrans-74-46.3168.500000110.9E774 E775 D776 E780 K781 V782E774-A778 WeakPolarHBondContact O-CB 3.04Å; E774-A778 PolarHBondContact O-N 2.97Å; E775-A778 PolarHBondContact O-N 2.94Å; D776-A778 VanDerWaalsContact C-N 3.31Å; D776-A778 PolarHBondContact O-N 3.29Å; A778-E780 VanDerWaalsContact C-N 3.3Å; A778-E780 PolarHBondContact O-N 3.39Å; A778-K781 WeakPolarHBondContact O-CB 3.41Å; A778-K781 PolarHBondContact O-N 3Å; A778-K781 VanDerWaalsContact O-N 3.14Å; A778-V782 WeakPolarHBondContact O-CG2 3.43Å; A778-V782 PolarHBondContact O-N 3.11Å
779R95.8Very high94.3Very high147 Ų14779.5 Ų79.556%0.55539%0.385SS*.Hα-helixtrans-59.4-38.2175.1-73.1164.7-177.3161.80.9112.6L764 E775 D776 K781 V782 L783L764-R779 HydrophobicContact CD2-CB 4.19Å; E775-R779 WeakPolarHBondContact O-CB 3.45Å; E775-R779 WeakPolarHBondContact O-CD 3.25Å; E775-R779 WeakPolarHBondContact O-CG 3.11Å; E775-R779 PolarHBondContact O-N 3.18Å; D776-R779 PolarHBondContact O-N 3.18Å; D776-R779 IonicContact OD1-NH1 3.79Å; R779-K781 VanDerWaalsContact C-N 3.35Å; R779-K781 PolarHBondContact O-N 3.36Å; R779-V782 PolarHBondContact O-N 2.81Å; R779-L783 WeakPolarHBondContact O-CB 3.41Å; R779-L783 VanDerWaalsContact O-CG 3.3Å; R779-L783 WeakPolarHBondContact O-CG 3.19Å; R779-L783 PolarHBondContact O-N 2.87Å
780E95.3Very high94.9Very high39 Ų3972.8 Ų72.818%0.18235%0.354CS..Hα-helixtrans-56.7-49.7173.6-174.4-172.9-141.400110.9L761 L764 W772 D776 A778 V782 L783 M784L761-E780 HydrophobicContact CD1-CG 4.11Å; L764-E780 HydrophobicContact CD2-CB 3.76Å; W772-E780 WeakPolarHBondContact CH2-OE1 3.4Å; W772-E780 WeakPolarHBondContact CZ3-OE2 3.38Å; D776-E780 PolarHBondContact O-N 3.26Å; A778-E780 VanDerWaalsContact C-N 3.3Å; A778-E780 PolarHBondContact O-N 3.39Å; E780-V782 PolarHBondContact O-N 3.47Å; E780-L783 PolarHBondContact O-N 3.2Å; E780-M784 HydrophobicContact CG-CG 4.41Å; E780-M784 VanDerWaalsContact O-CB 3.28Å; E780-M784 WeakPolarHBondContact O-CB 3.48Å; E780-M784 VanDerWaalsContact O-CG 3.25Å; E780-M784 WeakPolarHBondContact O-CG 3.29Å; E780-M784 PolarHBondContact O-N 2.58Å
781K96.3Very high95.3Very high135 Ų13568.1 Ų68.159%0.58734%0.336SS*.Hα-helixtrans-61.5-44.5178.8-65166.2-173.5170.70111.9R777 A778 R779 M784 Q785R777-K781 WeakPolarHBondContact O-CG 3.45Å; A778-K781 WeakPolarHBondContact O-CB 3.41Å; A778-K781 PolarHBondContact O-N 3Å; A778-K781 VanDerWaalsContact O-N 3.14Å; R779-K781 VanDerWaalsContact C-N 3.35Å; R779-K781 PolarHBondContact O-N 3.36Å; K781-M784 PolarHBondContact O-N 2.95Å; K781-Q785 WeakPolarHBondContact O-CB 3.14Å; K781-Q785 PolarHBondContact O-N 3.09Å
782V97.5Very high95.6Very high95 Ų9569.8 Ų69.858%0.57634%0.342SS*.Hα-helixtrans-62.6-49.4178.6173.80000110.9A778 R779 E780 M784 Q785 E786A778-V782 WeakPolarHBondContact O-CG2 3.43Å; A778-V782 PolarHBondContact O-N 3.11Å; R779-V782 PolarHBondContact O-N 2.81Å; E780-V782 PolarHBondContact O-N 3.47Å; V782-M784 VanDerWaalsContact C-N 3.32Å; V782-M784 PolarHBondContact O-N 2.97Å; V782-Q785 PolarHBondContact O-N 2.97Å; V782-E786 WeakPolarHBondContact O-CB 3.31Å; V782-E786 PolarHBondContact O-N 3.1Å
783L97.2Very high95.6Very high16 Ų1672.7 Ų72.78%0.08436%0.357CS..Hα-helixtrans-64.5-34.9177.9-69.8167.8000112.4V757 E760 L761 L764 R779 E780 L787V757-L783 HydrophobicContact CG1-CB 4.23Å; V757-L783 HydrophobicContact CG1-CD2 4.08Å; V757-L783 WeakPolarHBondContact CG1-O 3.48Å; E760-L783 HydrophobicContact CB-CD1 3.96Å; E760-L783 HydrophobicContact CB-CD2 3.96Å; L761-L783 HydrophobicContact CB-CB 4.5Å; L761-L783 HydrophobicContact CB-CD1 4.45Å; L761-L783 HydrophobicContact CD1-CB 4.42Å; L764-L783 HydrophobicContact CD2-CD1 4.39Å; R779-L783 WeakPolarHBondContact O-CB 3.41Å; R779-L783 VanDerWaalsContact O-CG 3.3Å; R779-L783 WeakPolarHBondContact O-CG 3.19Å; R779-L783 PolarHBondContact O-N 2.87Å; E780-L783 PolarHBondContact O-N 3.2Å; L783-L787 VanDerWaalsContact O-CB 3.3Å; L783-L787 WeakPolarHBondContact O-CB 3.29Å; L783-L787 PolarHBondContact O-N 3.17Å
784M96.2Very high95.6Very high76 Ų7672.6 Ų72.637%0.37435%0.35SS..Hα-helixtrans-69-39.2173.8-78.1-62.2-55.900112.3L761 E780 K781 V782 L787 V788L761-M784 HydrophobicContact CD1-CG 4.36Å; L761-M784 HydrophobicContact CD1-SD 4.46Å; L761-M784 HydrophobicContact CD2-CG 4.43Å; L761-M784 HydrophobicContact CD2-SD 3.56Å; L761-M784 VanDerWaalsContact CD2-SD 3.56Å; E780-M784 HydrophobicContact CG-CG 4.41Å; E780-M784 VanDerWaalsContact O-CB 3.28Å; E780-M784 WeakPolarHBondContact O-CB 3.48Å; E780-M784 VanDerWaalsContact O-CG 3.25Å; E780-M784 WeakPolarHBondContact O-CG 3.29Å; E780-M784 PolarHBondContact O-N 2.58Å; K781-M784 PolarHBondContact O-N 2.95Å; V782-M784 VanDerWaalsContact C-N 3.32Å; V782-M784 PolarHBondContact O-N 2.97Å; M784-L787 PolarHBondContact O-N 2.93Å; M784-V788 WeakPolarHBondContact O-CG2 3.45Å; M784-V788 PolarHBondContact O-N 3.38Å
785Q97.4Very high95.5Very high116 Ų11671.8 Ų71.854%0.54235%0.349SS..Hα-helixtrans-68.8-42.5175.9-173.559.454.500111.3K781 V782 L787 V788 T789K781-Q785 WeakPolarHBondContact O-CB 3.14Å; K781-Q785 PolarHBondContact O-N 3.09Å; V782-Q785 PolarHBondContact O-N 2.97Å; Q785-L787 VanDerWaalsContact C-N 3.33Å; Q785-L787 PolarHBondContact O-N 3.44Å; Q785-V788 WeakPolarHBondContact O-CB 3.33Å; Q785-V788 PolarHBondContact O-N 2.64Å; Q785-V788 VanDerWaalsContact O-N 3.14Å; Q785-T789 PolarHBondContact O-N 2.96Å
786E97.3Very high95.3Very high50 Ų5068.7 Ų68.723%0.23434%0.343CS..Hα-helixtrans-63.5-38.4175-166-174.3175.200111.6R753 V757 V782 V788 T789 L790R753-E786 IonicContact CZ-OE1 3.59Å; R753-E786 IonicContact CZ-OE2 3.69Å; R753-E786 IonicContact NE-OE1 3.21Å; R753-E786 PolarHBondContact NE-OE1 2.63Å; R753-E786 IonicContact NE-OE2 3.2Å; R753-E786 IonicContact NH2-OE1 2.7Å; R753-E786 PolarHBondContact NH2-OE1 3.41Å; R753-E786 IonicContact NH2-OE2 3.87Å; R753-E786 PolarHBondContact NH2-OE2 3.44Å; V757-E786 HydrophobicContact CG2-CG 4.1Å; V757-E786 WeakPolarHBondContact CG2-OE2 3.46Å; V782-E786 WeakPolarHBondContact O-CB 3.31Å; V782-E786 PolarHBondContact O-N 3.1Å; E786-V788 VanDerWaalsContact C-N 3.26Å; E786-V788 PolarHBondContact O-N 2.82Å; E786-T789 PolarHBondContact O-N 3.05Å; E786-T789 PolarHBondContact O-OG1 2.99Å; E786-L790 HydrophobicContact CG-CD1 4.06Å; E786-L790 HydrophobicContact CG-CG 4.35Å; E786-L790 WeakPolarHBondContact O-CB 3.45Å; E786-L790 WeakPolarHBondContact O-CD1 3.43Å; E786-L790 WeakPolarHBondContact O-CG 3.39Å; E786-L790 PolarHBondContact O-N 3.19Å
787L97.1Very high95.1Very high28 Ų2868.9 Ų68.915%0.14734%0.344CS..Hα-helixtrans-61.2-35.8173.4-178.858.1000112.2Q754 V757 E758 L783 M784 Q785 I791Q754-L787 HydrophobicContact CG-CD1 3.65Å; V757-L787 HydrophobicContact CG1-CB 3.99Å; E758-L787 HydrophobicContact CG-CD1 4.22Å; L783-L787 VanDerWaalsContact O-CB 3.3Å; L783-L787 WeakPolarHBondContact O-CB 3.29Å; L783-L787 PolarHBondContact O-N 3.17Å; M784-L787 PolarHBondContact O-N 2.93Å; Q785-L787 VanDerWaalsContact C-N 3.33Å; Q785-L787 PolarHBondContact O-N 3.44Å; L787-I791 HydrophobicContact CD1-CD1 4.24Å; L787-I791 HydrophobicContact CG-CD1 4.29Å; L787-I791 WeakPolarHBondContact O-CD1 3.42Å; L787-I791 VanDerWaalsContact O-CG1 3.24Å; L787-I791 WeakPolarHBondContact O-CG1 3.42Å; L787-I791 PolarHBondContact O-N 2.93Å
788V97.3Very high94.9Very high59 Ų5967.6 Ų67.636%0.35835%0.346SS..Hα-helixtrans-69.9-49.6174.9171.10000110.9M784 Q785 E786 L790 I791 E792M784-V788 WeakPolarHBondContact O-CG2 3.45Å; M784-V788 PolarHBondContact O-N 3.38Å; Q785-V788 WeakPolarHBondContact O-CB 3.33Å; Q785-V788 PolarHBondContact O-N 2.64Å; Q785-V788 VanDerWaalsContact O-N 3.14Å; E786-V788 VanDerWaalsContact C-N 3.26Å; E786-V788 PolarHBondContact O-N 2.82Å; V788-L790 VanDerWaalsContact C-N 3.32Å; V788-L790 PolarHBondContact O-N 3.29Å; V788-I791 WeakPolarHBondContact O-CB 3.23Å; V788-I791 PolarHBondContact O-N 2.75Å; V788-E792 HydrophobicContact CG1-CG 4.37Å; V788-E792 WeakPolarHBondContact CG1-OE1 3.47Å; V788-E792 WeakPolarHBondContact O-CG 3.25Å; V788-E792 PolarHBondContact O-N 3.18Å
789T96Very high94.5Very high47 Ų4770 Ų7029%0.28835%0.353SS..Hα-helixtrans-64.7-34.8-178.858.90000112.5Q785 E786 I791 E792 Q793Q785-T789 PolarHBondContact O-N 2.96Å; E786-T789 PolarHBondContact O-N 3.05Å; E786-T789 PolarHBondContact O-OG1 2.99Å; T789-I791 VanDerWaalsContact C-N 3.34Å; T789-I791 PolarHBondContact O-N 2.83Å; T789-E792 PolarHBondContact O-N 3.23Å; T789-Q793 WeakPolarHBondContact O-CB 3.04Å; T789-Q793 WeakPolarHBondContact O-CG 3.29Å; T789-Q793 PolarHBondContact O-N 3.13Å
790L96.1Very high93.8Very high8 Ų865.1 Ų65.14%0.04234%0.341CS..Hα-helixtrans-63.9-36.6172.2-70.9167.6000112.4L750 R753 Q754 V757 E786 V788 R794L750-L790 HydrophobicContact CD2-CD2 3.67Å; R753-L790 HydrophobicContact CB-CD1 4.38Å; R753-L790 HydrophobicContact CB-CD2 4.13Å; R753-L790 HydrophobicContact CG-CD1 3.85Å; R753-L790 HydrophobicContact CG-CD2 3.95Å; Q754-L790 HydrophobicContact CB-CD1 4.43Å; V757-L790 HydrophobicContact CB-CD1 4.44Å; V757-L790 HydrophobicContact CG2-CD1 3.82Å; E786-L790 HydrophobicContact CG-CD1 4.06Å; E786-L790 HydrophobicContact CG-CG 4.35Å; E786-L790 WeakPolarHBondContact O-CB 3.45Å; E786-L790 WeakPolarHBondContact O-CD1 3.43Å; E786-L790 WeakPolarHBondContact O-CG 3.39Å; E786-L790 PolarHBondContact O-N 3.19Å; V788-L790 VanDerWaalsContact C-N 3.32Å; V788-L790 PolarHBondContact O-N 3.29Å; L790-R794 WeakPolarHBondContact O-CB 3.4Å; L790-R794 VanDerWaalsContact O-CG 3.27Å; L790-R794 WeakPolarHBondContact O-CG 3.35Å; L790-R794 PolarHBondContact O-N 3.4Å; L790-R794 VanDerWaalsContact O-N 3.07Å
791I94.1Very high93.1Very high69 Ų6965.5 Ų65.535%0.35434%0.344SS..Hα-helixtrans-69.8-42175-71.4166.2000110.3L787 V788 T789 R794 N795L787-I791 HydrophobicContact CD1-CD1 4.24Å; L787-I791 HydrophobicContact CG-CD1 4.29Å; L787-I791 WeakPolarHBondContact O-CD1 3.42Å; L787-I791 VanDerWaalsContact O-CG1 3.24Å; L787-I791 WeakPolarHBondContact O-CG1 3.42Å; L787-I791 PolarHBondContact O-N 2.93Å; V788-I791 WeakPolarHBondContact O-CB 3.23Å; V788-I791 PolarHBondContact O-N 2.75Å; T789-I791 VanDerWaalsContact C-N 3.34Å; T789-I791 PolarHBondContact O-N 2.83Å; I791-R794 PolarHBondContact O-N 3.17Å; I791-N795 WeakPolarHBondContact O-CB 3.4Å; I791-N795 PolarHBondContact O-N 2.76Å; I791-N795 PolarHBondContact O-ND2 3.16Å
792E94.5Very high92.4Very high109 Ų10963 Ų6351%0.50934%0.337SS..Hα-helixtrans-62.7-44.2176.3-69.5167.3162.900111.8V788 T789 R794 N795 A796V788-E792 HydrophobicContact CG1-CG 4.37Å; V788-E792 WeakPolarHBondContact CG1-OE1 3.47Å; V788-E792 WeakPolarHBondContact O-CG 3.25Å; V788-E792 PolarHBondContact O-N 3.18Å; T789-E792 PolarHBondContact O-N 3.23Å; E792-R794 PolarHBondContact O-N 2.8Å; E792-N795 PolarHBondContact O-N 3.33Å; E792-A796 PolarHBondContact O-N 2.98Å
793Q93.8Very high91.4Very high98 Ų9864.4 Ų64.446%0.45834%0.337SS..Hα-helixtrans-62.7-40174.7-72.7170.3-0.100112.5L750 T789 A796 I797L750-Q793 HydrophobicContact CD1-CB 3.75Å; L750-Q793 HydrophobicContact CD2-CB 4.3Å; L750-Q793 VanDerWaalsContact CD2-OE1 3.24Å; T789-Q793 WeakPolarHBondContact O-CB 3.04Å; T789-Q793 WeakPolarHBondContact O-CG 3.29Å; T789-Q793 PolarHBondContact O-N 3.13Å; Q793-A796 PolarHBondContact O-N 3.46Å; Q793-I797 PolarHBondContact O-N 3.07Å; Q793-I797 VanDerWaalsContact O-N 3.13Å
794R93.9Very high90.4Very high57 Ų5765.2 Ų65.222%0.21534%0.341CS..Hα-helixtrans-67.4-38.6174.2-72177.870.4-141-3.6112.1Q747 L750 E751 L790 I791 E792 A796 I797 V798Q747-R794 VanDerWaalsContact NE2-NE 3.13Å; Q747-R794 VanDerWaalsContact NE2-NH2 3.13Å; L750-R794 HydrophobicContact CB-CG 3.53Å; L750-R794 HydrophobicContact CD1-CG 3.64Å; L750-R794 HydrophobicContact CG-CG 4.24Å; E751-R794 VanDerWaalsContact CD-NH2 3.32Å; E751-R794 VanDerWaalsContact CG-NE 3.33Å; E751-R794 VanDerWaalsContact CG-NH2 3.31Å; E751-R794 IonicContact OE1-CZ 2.76Å; E751-R794 IonicContact OE1-NE 2.79Å; E751-R794 IonicContact OE1-NH2 3.96Å; E751-R794 PolarHBondContact OE1-NH2 2.91Å; L790-R794 WeakPolarHBondContact O-CB 3.4Å; L790-R794 VanDerWaalsContact O-CG 3.27Å; L790-R794 WeakPolarHBondContact O-CG 3.35Å; L790-R794 PolarHBondContact O-N 3.4Å; L790-R794 VanDerWaalsContact O-N 3.07Å; I791-R794 PolarHBondContact O-N 3.17Å; E792-R794 PolarHBondContact O-N 2.8Å; R794-A796 VanDerWaalsContact C-N 3.34Å; R794-I797 PolarHBondContact O-N 3.04Å; R794-V798 WeakPolarHBondContact O-CG2 3.29Å; R794-V798 PolarHBondContact O-N 3.38Å; R794-V798 VanDerWaalsContact O-N 3.1Å
795N92Very high89.6Confident90 Ų9066.8 Ų66.848%0.48134%0.343SS..Hα-helixtrans-64.4-38.7174.3-68.2-23.5000111.5I791 E792 V798 N799I791-N795 WeakPolarHBondContact O-CB 3.4Å; I791-N795 PolarHBondContact O-N 2.76Å; I791-N795 PolarHBondContact O-ND2 3.16Å; E792-N795 PolarHBondContact O-N 3.33Å; N795-V798 PolarHBondContact O-N 3.47Å; N795-N799 PolarHBondContact O-N 3.21Å; N795-N799 PolarHBondContact O-OD1 2.9Å
796A91.4Very high88.5Confident50 Ų5066.4 Ų66.441%0.41334%0.341SS..Hα-helixtrans-61.3-43.6174.400000112.2E792 Q793 R794 V798 N799 C800E792-A796 PolarHBondContact O-N 2.98Å; Q793-A796 PolarHBondContact O-N 3.46Å; R794-A796 VanDerWaalsContact C-N 3.34Å; A796-V798 VanDerWaalsContact C-N 3.33Å; A796-V798 PolarHBondContact O-N 3.34Å; A796-N799 PolarHBondContact O-N 2.89Å; A796-C800 PolarHBondContact O-N 3.41Å; A796-C800 PolarHBondContact O-SG 3.27Å; A796-C800 VanDerWaalsContact O-SG 3.37Å
797I89.4Confident87.4Confident17 Ų1769 Ų699%0.08735%0.349CS..Hα-helixtrans-60.2-41.8174.3-68173.2000111.6Y743 K746 L750 Q793 R794 L801Y743-I797 HydrophobicContact CD1-CG2 4.06Å; Y743-I797 HydrophobicContact CG-CG2 4.47Å; K746-I797 HydrophobicContact CB-CD1 3.64Å; L750-I797 HydrophobicContact CD1-CD1 3.6Å; Q793-I797 PolarHBondContact O-N 3.07Å; Q793-I797 VanDerWaalsContact O-N 3.13Å; R794-I797 PolarHBondContact O-N 3.04Å; I797-L801 HydrophobicContact CG2-CD1 3.88Å; I797-L801 HydrophobicContact CG2-CG 4.4Å; I797-L801 WeakPolarHBondContact O-CB 3.39Å; I797-L801 WeakPolarHBondContact O-CG 3.43Å; I797-L801 PolarHBondContact O-N 2.92Å
798V89.4Confident86.2Confident67 Ų6769.6 Ų69.641%0.40635%0.351SS..Hα-helixtrans-63.6-45177.4171.70000111.2R794 N795 A796 L801 D802R794-V798 WeakPolarHBondContact O-CG2 3.29Å; R794-V798 PolarHBondContact O-N 3.38Å; R794-V798 VanDerWaalsContact O-N 3.1Å; N795-V798 PolarHBondContact O-N 3.47Å; A796-V798 VanDerWaalsContact C-N 3.33Å; A796-V798 PolarHBondContact O-N 3.34Å; V798-L801 PolarHBondContact O-N 3.35Å; V798-D802 PolarHBondContact O-N 2.9Å
799N86Confident84.9Confident97 Ų9772.7 Ų72.752%0.51936%0.362SS..Hα-helixtrans-60.1-51.3177.1-67.8-6.6000111.2N795 A796 L801 D802 E803N795-N799 PolarHBondContact O-N 3.21Å; N795-N799 PolarHBondContact O-OD1 2.9Å; A796-N799 PolarHBondContact O-N 2.89Å; N799-L801 VanDerWaalsContact C-N 3.32Å; N799-L801 PolarHBondContact O-N 3.41Å; N799-D802 PolarHBondContact O-N 3.12Å; N799-D802 VanDerWaalsContact O-N 3.14Å; N799-E803 WeakPolarHBondContact O-CB 3.4Å; N799-E803 WeakPolarHBondContact O-CG 3.23Å; N799-E803 PolarHBondContact O-N 3Å
800C81Confident83.4Confident45 Ų4573.5 Ų73.530%0.30436%0.362SS..Hα-helixtrans-58.1-41.6177.1-68.60000112.6Y743 A796 D802 E803 D804Y743-C800 HydrophobicContact CE1-CB 3.95Å; A796-C800 PolarHBondContact O-N 3.41Å; A796-C800 PolarHBondContact O-SG 3.27Å; A796-C800 VanDerWaalsContact O-SG 3.37Å; C800-D802 VanDerWaalsContact C-N 3.34Å; C800-D802 PolarHBondContact O-N 3.18Å; C800-E803 PolarHBondContact O-N 3.03Å; C800-D804 VanDerWaalsContact O-CB 3.29Å; C800-D804 WeakPolarHBondContact O-CB 3.33Å; C800-D804 PolarHBondContact O-N 2.85Å
801L82.4Confident81.9Confident46 Ų4675 Ų7524%0.24137%0.369CS..Hα-helixtrans-65.6-32.3177.2-84172.7000113.7Y743 I797 V798 N799 R805Y743-L801 HydrophobicContact CD2-CD2 3.37Å; Y743-L801 HydrophobicContact CD2-CG 3.92Å; Y743-L801 HydrophobicContact CE2-CD2 4.02Å; Y743-L801 HydrophobicContact CE2-CG 4.45Å; Y743-L801 HydrophobicContact CG-CD1 4.49Å; Y743-L801 HydrophobicContact CG-CD2 3.81Å; Y743-L801 HydrophobicContact CG-CG 3.94Å; I797-L801 HydrophobicContact CG2-CD1 3.88Å; I797-L801 HydrophobicContact CG2-CG 4.4Å; I797-L801 WeakPolarHBondContact O-CB 3.39Å; I797-L801 WeakPolarHBondContact O-CG 3.43Å; I797-L801 PolarHBondContact O-N 2.92Å; V798-L801 PolarHBondContact O-N 3.35Å; N799-L801 VanDerWaalsContact C-N 3.32Å; N799-L801 PolarHBondContact O-N 3.41Å; L801-R805 WeakPolarHBondContact O-CB 3.35Å; L801-R805 PolarHBondContact O-N 2.92Å
802D80.8Confident80.7Confident82 Ų8274.2 Ų74.244%0.43937%0.366SS..Hα-helixtrans-84.2-29.7176.8-77.9-24.9000112.4V798 N799 C800 R805 Q806V798-D802 PolarHBondContact O-N 2.9Å; N799-D802 PolarHBondContact O-N 3.12Å; N799-D802 VanDerWaalsContact O-N 3.14Å; C800-D802 VanDerWaalsContact C-N 3.34Å; C800-D802 PolarHBondContact O-N 3.18Å; D802-R805 IonicContact OD1-CZ 3.71Å; D802-R805 IonicContact OD1-NE 2.7Å; D802-R805 PolarHBondContact OD1-NE 2.75Å; D802-R805 IonicContact OD1-NH2 3.99Å; D802-R805 PolarHBondContact OD1-NH2 2.97Å; D802-Q806 WeakPolarHBondContact O-CB 3.37Å; D802-Q806 PolarHBondContact O-N 3.31Å
803E76.1Confident79.5Confident125 Ų12574.7 Ų74.758%0.58437%0.366SS*.Hα-helixtrans-65.7-47.9168.4-73.1169-179.500111.6N799 C800 Q806 R807N799-E803 WeakPolarHBondContact O-CB 3.4Å; N799-E803 WeakPolarHBondContact O-CG 3.23Å; N799-E803 PolarHBondContact O-N 3Å; C800-E803 PolarHBondContact O-N 3.03Å; E803-Q806 PolarHBondContact O-N 2.93Å; E803-R807 PolarHBondContact O-N 3.33Å
804D75.6Confident77.7Confident33 Ų3371 Ų7118%0.17635%0.349CS..Hα-helixtrans-61.9-48.2174.6-75.2-26.5000110.1Y743 C800 Q806 R807 E808Y743-D804 VanDerWaalsContact CE2-OD2 3.32Å; Y743-D804 WeakPolarHBondContact CE2-OD2 3.04Å; Y743-D804 PolarHBondContact OH-OD2 3.16Å; C800-D804 VanDerWaalsContact O-CB 3.29Å; C800-D804 WeakPolarHBondContact O-CB 3.33Å; C800-D804 PolarHBondContact O-N 2.85Å; D804-Q806 VanDerWaalsContact C-N 3.33Å; D804-Q806 PolarHBondContact O-N 2.96Å; D804-R807 WeakPolarHBondContact O-CB 3.41Å; D804-R807 PolarHBondContact O-N 3.12Å; D804-R807 VanDerWaalsContact O-N 3.12Å; D804-E808 WeakPolarHBondContact O-CB 3.26Å; D804-E808 VanDerWaalsContact O-CG 3.25Å; D804-E808 WeakPolarHBondContact O-CG 3.41Å; D804-E808 PolarHBondContact O-N 3.41Å
805R81.1Confident76.2Confident110 Ų11069.6 Ų69.642%0.41535%0.346SS..Hα-helixtrans-54.1-45.1174.3-174.3-163.9-38.1-53.3-8.2113L801 D802 R807 E808 E809L801-R805 WeakPolarHBondContact O-CB 3.35Å; L801-R805 PolarHBondContact O-N 2.92Å; D802-R805 IonicContact OD1-CZ 3.71Å; D802-R805 IonicContact OD1-NE 2.7Å; D802-R805 PolarHBondContact OD1-NE 2.75Å; D802-R805 IonicContact OD1-NH2 3.99Å; D802-R805 PolarHBondContact OD1-NH2 2.97Å; R805-R807 VanDerWaalsContact C-N 3.35Å; R805-E808 PolarHBondContact O-N 2.79Å; R805-E809 WeakPolarHBondContact O-CB 3.05Å; R805-E809 PolarHBondContact O-N 3.46Å
806Q74.2Confident75Confident107 Ų10770.4 Ų70.450%0.535%0.346SS..Hα-helixtrans-64.1-41.1179.6-177.163.744.900111.2D802 E803 D804 E810D802-Q806 WeakPolarHBondContact O-CB 3.37Å; D802-Q806 PolarHBondContact O-N 3.31Å; E803-Q806 PolarHBondContact O-N 2.93Å; D804-Q806 VanDerWaalsContact C-N 3.33Å; D804-Q806 PolarHBondContact O-N 2.96Å; Q806-E810 PolarHBondContact NE2-OE1 3.26Å; Q806-E810 WeakPolarHBondContact O-CG 3.36Å; Q806-E810 PolarHBondContact O-N 3.29Å
807R73.6Confident73.7Confident104 Ų10469.9 Ų69.939%0.39234%0.343SS..Hα-helixtrans-61-48.7173.2-168.2-161.7-53.8-112.11.6111.2G75 E803 D804 R805 E810 E811G75-R807 PolarHBondContact O-NH1 3.37Å; G75-R807 VanDerWaalsContact O-NH1 3.09Å; E803-R807 PolarHBondContact O-N 3.33Å; D804-R807 WeakPolarHBondContact O-CB 3.41Å; D804-R807 PolarHBondContact O-N 3.12Å; D804-R807 VanDerWaalsContact O-N 3.12Å; R805-R807 VanDerWaalsContact C-N 3.35Å; R807-E810 PolarHBondContact O-N 3.29Å; R807-E811 WeakPolarHBondContact O-CG 3.31Å; R807-E811 PolarHBondContact O-N 3.11Å
808E70.8Confident72.1Confident42 Ų4271.2 Ų71.220%0.19635%0.349CS..Hα-helixtrans-65.7-43.4-177.5-68.9-179.3-163.500113.2R736 D804 R805 E810 E811 D812R736-E808 WeakPolarHBondContact CB-OE1 2.95Å; R736-E808 VanDerWaalsContact CD-CD 3.41Å; R736-E808 HydrophobicContact CG-CG 3.98Å; R736-E808 VanDerWaalsContact CG-OE1 3.25Å; R736-E808 WeakPolarHBondContact CG-OE1 3.42Å; D804-E808 WeakPolarHBondContact O-CB 3.26Å; D804-E808 VanDerWaalsContact O-CG 3.25Å; D804-E808 WeakPolarHBondContact O-CG 3.41Å; D804-E808 PolarHBondContact O-N 3.41Å; R805-E808 PolarHBondContact O-N 2.79Å; E808-E810 PolarHBondContact O-N 3.41Å; E808-E811 PolarHBondContact O-N 2.93Å; E808-D812 PolarHBondContact O-N 3.19Å
809E70.4Confident70.8Confident123 Ų12372.2 Ų72.258%0.57535%0.351SS*.Hα-helixtrans-61.4-34174.1-81-166.8-150.600111.6R805 K813R805-E809 WeakPolarHBondContact O-CB 3.05Å; R805-E809 PolarHBondContact O-N 3.46Å; E809-K813 WeakPolarHBondContact O-CB 3.26Å; E809-K813 PolarHBondContact O-N 2.88Å
810E64.6Low69.7Low65 Ų6572 Ų7230%0.30435%0.345SS..Hα-helixtrans-71.5-42.7174-72.2-171-149.700112Q806 R807 E808 M814Q806-E810 PolarHBondContact NE2-OE1 3.26Å; Q806-E810 WeakPolarHBondContact O-CG 3.36Å; Q806-E810 PolarHBondContact O-N 3.29Å; R807-E810 PolarHBondContact O-N 3.29Å; E808-E810 PolarHBondContact O-N 3.41Å; E810-M814 WeakPolarHBondContact O-CB 3.39Å; E810-M814 WeakPolarHBondContact O-CE 3.39Å; E810-M814 PolarHBondContact O-N 2.98Å
811E65.6Low68.7Low39 Ų3974.9 Ų74.918%0.18235%0.353CS..Hα-helixtrans-63.8-39.4175.1-73.7-166129.600114.6R736 R807 E808 M814 L815R736-E811 IonicContact CZ-OE2 3.07Å; R736-E811 IonicContact NE-OE2 3.06Å; R736-E811 VanDerWaalsContact NH2-CB 3.32Å; R736-E811 IonicContact NH2-OE2 2.77Å; R736-E811 PolarHBondContact NH2-OE2 3.37Å; R807-E811 WeakPolarHBondContact O-CG 3.31Å; R807-E811 PolarHBondContact O-N 3.11Å; E808-E811 PolarHBondContact O-N 2.93Å; E811-M814 HydrophobicContact CG-CE 4.49Å; E811-M814 VanDerWaalsContact O-CB 3.29Å; E811-M814 WeakPolarHBondContact O-CB 3.48Å; E811-L815 PolarHBondContact O-N 3.43Å
812D68.6Low67.3Low53 Ų5377.1 Ų77.128%0.28336%0.361SS..Hα-helixtrans-83.9-38.3-174.5-79.99.2000112.5H729 R736 E808 M814 L815 E816H729-D812 IonicContact CE1-OD1 3.14Å; H729-D812 PolarHBondContact CE1-OD1 2.72Å; H729-D812 IonicContact ND1-OD1 3.21Å; R736-D812 IonicContact CZ-OD1 3.4Å; R736-D812 VanDerWaalsContact CZ-OD1 3.28Å; R736-D812 IonicContact NH1-OD1 2.78Å; R736-D812 PolarHBondContact NH1-OD1 2.7Å; R736-D812 IonicContact NH1-OD2 3.88Å; R736-D812 PolarHBondContact NH1-OD2 2.83Å; R736-D812 IonicContact NH2-OD1 3.18Å; R736-D812 PolarHBondContact NH2-OD1 3.47Å; E808-D812 PolarHBondContact O-N 3.19Å; D812-M814 PolarHBondContact O-N 2.92Å; D812-L815 PolarHBondContact O-N 3.19Å; D812-E816 PolarHBondContact O-N 2.88Å
813K67.9Low65.9Low118 Ų11878.8 Ų78.851%0.51337%0.366SS..Hα-helixtrans-57.7-38167.9176-177.2-179.3179.40111.9E809 A817E809-K813 WeakPolarHBondContact O-CB 3.26Å; E809-K813 PolarHBondContact O-N 2.88Å; K813-A817 WeakPolarHBondContact O-CB 3.37Å; K813-A817 PolarHBondContact O-N 2.95Å; K813-A817 VanDerWaalsContact O-N 3.11Å
814M57.3Low64.1Low22 Ų2279.1 Ų79.111%0.10837%0.365CS..Hα-helixtrans-64.7-46174.6159.5-167.9-3600111.9N105 H106 E810 E811 D812 A817 M818N105-M814 VanDerWaalsContact C-CG 3.42Å; N105-M814 VanDerWaalsContact C-SD 3.55Å; N105-M814 HydrophobicContact CB-CG 3.38Å; N105-M814 HydrophobicContact CB-SD 3.45Å; N105-M814 WeakPolarHBondContact CB-SD 3.28Å; N105-M814 WeakPolarHBondContact O-CG 3.3Å; H106-M814 VanDerWaalsContact CA-CE 3.43Å; H106-M814 HydrophobicContact CB-CE 4Å; H106-M814 PolarHBondContact N-SD 2.98Å; H106-M814 VanDerWaalsContact N-SD 3.42Å; E810-M814 WeakPolarHBondContact O-CB 3.39Å; E810-M814 WeakPolarHBondContact O-CE 3.39Å; E810-M814 PolarHBondContact O-N 2.98Å; E811-M814 HydrophobicContact CG-CE 4.49Å; E811-M814 VanDerWaalsContact O-CB 3.29Å; E811-M814 WeakPolarHBondContact O-CB 3.48Å; D812-M814 PolarHBondContact O-N 2.92Å; M814-A817 WeakPolarHBondContact O-CB 3.32Å; M814-A817 PolarHBondContact O-N 3.18Å; M814-M818 PolarHBondContact O-N 3.25Å
815L63Low62.7Low27 Ų2781.7 Ų81.714%0.14138%0.377CS..Hα-helixtrans-70.7-40.3174.9-177.766000112.9H729 E811 D812 A817 M818 I819H729-L815 HydrophobicContact CB-CD2 3.66Å; H729-L815 WeakPolarHBondContact CD2-CD2 3.1Å; H729-L815 VanDerWaalsContact ND1-CD2 3.33Å; H729-L815 WeakPolarHBondContact ND1-CD2 3.37Å; H729-L815 WeakPolarHBondContact NE2-CD2 3.45Å; E811-L815 PolarHBondContact O-N 3.43Å; D812-L815 PolarHBondContact O-N 3.19Å; L815-A817 PolarHBondContact O-N 3.42Å; L815-M818 HydrophobicContact CD1-CB 4.28Å; L815-M818 HydrophobicContact CD1-CG 4.33Å; L815-M818 HydrophobicContact CD1-SD 3.66Å; L815-M818 WeakPolarHBondContact O-CA 3.21Å; L815-M818 VanDerWaalsContact O-CB 3.31Å; L815-M818 WeakPolarHBondContact O-CB 3.48Å; L815-M818 PolarHBondContact O-N 3.29Å; L815-I819 HydrophobicContact CD1-CD1 4.45Å; L815-I819 HydrophobicContact CD1-CG1 4.39Å; L815-I819 HydrophobicContact CD2-CD1 4.28Å; L815-I819 HydrophobicContact CG-CD1 3.94Å; L815-I819 HydrophobicContact CG-CG1 4.31Å; L815-I819 PolarHBondContact O-N 3.05Å
816E65.7Low61.1Low106 Ų10686.7 Ų86.750%0.49540%0.395SS..Hα-helixtrans-57.3-40.2175.8-158.8-150149.300109.6D812 M818 I819 K820D812-E816 PolarHBondContact O-N 2.88Å; E816-M818 VanDerWaalsContact C-N 3.33Å; E816-M818 PolarHBondContact O-N 3.22Å; E816-I819 PolarHBondContact O-N 2.92Å; E816-K820 WeakPolarHBondContact O-CB 3.43Å; E816-K820 PolarHBondContact O-N 3.22Å; E816-K820 IonicContact OE1-NZ 3.97Å; E816-K820 PolarHBondContact OE1-NZ 3.13Å
817A63.5Low59.7Low40 Ų4089.1 Ų89.133%0.33141%0.407SS..Hα-helixtrans-61.6-34.6172.600000113.3K813 M814 L815 K821K813-A817 WeakPolarHBondContact O-CB 3.37Å; K813-A817 PolarHBondContact O-N 2.95Å; K813-A817 VanDerWaalsContact O-N 3.11Å; M814-A817 WeakPolarHBondContact O-CB 3.32Å; M814-A817 PolarHBondContact O-N 3.18Å; L815-A817 PolarHBondContact O-N 3.42Å; A817-K821 WeakPolarHBondContact O-CB 3.28Å; A817-K821 PolarHBondContact O-N 3.22Å
818M55.9Low58.2Low45 Ų4587.7 Ų87.722%0.22242%0.417CS..Hα-helixtrans-66-51.5171.2-59.6-174.986.100112.1Y104 N105 M814 L815 E816 K821 K822Y104-M818 HydrophobicContact CE1-CE 4.43Å; N105-M818 PolarHBondContact ND2-SD 3.07Å; N105-M818 VanDerWaalsContact OD1-CE 3.31Å; N105-M818 WeakPolarHBondContact OD1-CE 3.47Å; N105-M818 WeakPolarHBondContact OD1-CG 3.38Å; N105-M818 PolarHBondContact OD1-SD 3.33Å; M814-M818 PolarHBondContact O-N 3.25Å; L815-M818 HydrophobicContact CD1-CB 4.28Å; L815-M818 HydrophobicContact CD1-CG 4.33Å; L815-M818 HydrophobicContact CD1-SD 3.66Å; L815-M818 WeakPolarHBondContact O-CA 3.21Å; L815-M818 VanDerWaalsContact O-CB 3.31Å; L815-M818 WeakPolarHBondContact O-CB 3.48Å; L815-M818 PolarHBondContact O-N 3.29Å; E816-M818 VanDerWaalsContact C-N 3.33Å; E816-M818 PolarHBondContact O-N 3.22Å; M818-K821 CarbonylContact O-C 3.57Å; M818-K821 PolarHBondContact O-N 2.94Å; M818-K822 PolarHBondContact O-N 3.33Å
819I63.4Low56.5Low87 Ų8791.8 Ų91.845%0.44644%0.436SS..Hα-helixtrans-60.8-52.3-174.4-66.6170.7000109.3L815 E816 K821 K822 E823L815-I819 HydrophobicContact CD1-CD1 4.45Å; L815-I819 HydrophobicContact CD1-CG1 4.39Å; L815-I819 HydrophobicContact CD2-CD1 4.28Å; L815-I819 HydrophobicContact CG-CD1 3.94Å; L815-I819 HydrophobicContact CG-CG1 4.31Å; L815-I819 PolarHBondContact O-N 3.05Å; E816-I819 PolarHBondContact O-N 2.92Å; I819-K821 PolarHBondContact O-N 2.81Å; I819-K822 WeakPolarHBondContact O-CA 3.45Å; I819-K822 WeakPolarHBondContact O-CB 3.46Å; I819-K822 PolarHBondContact O-N 3.25Å; I819-E823 PolarHBondContact O-N 3.01Å
820K62.2Low55.3Low93 Ų9391.2 Ų91.240%0.40444%0.443SS..Hα-helixtrans-58-34.8177.1-164.1173.4-141.1145.50112.4E816 E823 F824E816-K820 WeakPolarHBondContact O-CB 3.43Å; E816-K820 PolarHBondContact O-N 3.22Å; E816-K820 IonicContact OE1-NZ 3.97Å; E816-K820 PolarHBondContact OE1-NZ 3.13Å; K820-E823 PolarHBondContact O-N 3.22Å; K820-F824 HydrophobicContact CD-CE2 4.48Å; K820-F824 HydrophobicContact CG-CD2 4.08Å; K820-F824 HydrophobicContact CG-CE2 3.72Å; K820-F824 VanDerWaalsContact O-CD2 3.22Å; K820-F824 WeakPolarHBondContact O-CD2 3.33Å; K820-F824 PolarHBondContact O-N 2.66Å
821K59.1Low54.1Low105 Ų10597.1 Ų97.146%0.45747%0.471SS..Hα-helixtrans-75.2-24.2174.2-172.3176.5-177.2179.80113.2Y104 A817 M818 I819 Q825Y104-K821 PolarHBondContact OH-NZ 3.23Å; A817-K821 WeakPolarHBondContact O-CB 3.28Å; A817-K821 PolarHBondContact O-N 3.22Å; M818-K821 CarbonylContact O-C 3.57Å; M818-K821 PolarHBondContact O-N 2.94Å; I819-K821 PolarHBondContact O-N 2.81Å; K821-Q825 WeakPolarHBondContact O-CG 3.46Å; K821-Q825 PolarHBondContact O-NE2 2.81Å
822K53.3Low53Low94 Ų9498.6 Ų98.641%0.40950%0.496SS..Hα-helixtrans-75-41.1166.3-169.2177.7-177.1-179.10110.7D719 V722 M818 I819 Q825 R826D719-K822 IonicContact OD1-NZ 2.94Å; D719-K822 PolarHBondContact OD1-NZ 3Å; V722-K822 HydrophobicContact CG1-CD 4.42Å; V722-K822 HydrophobicContact CG2-CD 4.21Å; V722-K822 VanDerWaalsContact CG2-NZ 3.27Å; M818-K822 PolarHBondContact O-N 3.33Å; I819-K822 WeakPolarHBondContact O-CA 3.45Å; I819-K822 WeakPolarHBondContact O-CB 3.46Å; I819-K822 PolarHBondContact O-N 3.25Å; K822-Q825 PolarHBondContact O-N 3.1Å; K822-R826 PolarHBondContact O-N 3.2Å; K822-R826 VanDerWaalsContact O-N 3.08Å
823E52.6Low51.8Low117 Ų117105.9 Ų105.955%0.54753%0.525SS..Hα-helixtrans-64.1-50179.9-69.3-177.9149.400112.5I819 K820 Q825 R826 E827I819-E823 PolarHBondContact O-N 3.01Å; K820-E823 PolarHBondContact O-N 3.22Å; E823-Q825 PolarHBondContact O-N 3.18Å; E823-R826 WeakPolarHBondContact O-CA 3.22Å; E823-R826 WeakPolarHBondContact O-CB 3.23Å; E823-R826 PolarHBondContact O-N 2.89Å; E823-E827 PolarHBondContact O-N 3.08Å
824F36.9Very low50.9Low131 Ų131110 Ų11058%0.57554%0.544SS*.Hα-helixtrans-62.3-28.8176-75.9-53.2000113.6K820 R826 A828K820-F824 HydrophobicContact CD-CE2 4.48Å; K820-F824 HydrophobicContact CG-CD2 4.08Å; K820-F824 HydrophobicContact CG-CE2 3.72Å; K820-F824 VanDerWaalsContact O-CD2 3.22Å; K820-F824 WeakPolarHBondContact O-CD2 3.33Å; K820-F824 PolarHBondContact O-N 2.66Å; F824-R826 VanDerWaalsContact C-N 3.33Å; F824-A828 VanDerWaalsContact O-CB 3.23Å; F824-A828 WeakPolarHBondContact O-CB 3.42Å; F824-A828 PolarHBondContact O-N 2.86Å
825Q47.8Very low50.4Low88 Ų88119.1 Ų119.141%0.41158%0.582SS.*Hα-helixtrans-73.9-23.7171.7-78.3178.191.600113K821 K822 E823K821-Q825 WeakPolarHBondContact O-CG 3.46Å; K821-Q825 PolarHBondContact O-NE2 2.81Å; K822-Q825 PolarHBondContact O-N 3.1Å; E823-Q825 PolarHBondContact O-N 3.18Å
826R46.2Very low49.2Very low215 Ų215121.4 Ų121.481%0.81161%0.613SS**Hα-helixtrans-81.3-34.5176.6-167.9-177.1-176.9-158.41.6112.2K822 E823 F824K822-R826 PolarHBondContact O-N 3.2Å; K822-R826 VanDerWaalsContact O-N 3.08Å; E823-R826 WeakPolarHBondContact O-CA 3.22Å; E823-R826 WeakPolarHBondContact O-CB 3.23Å; E823-R826 PolarHBondContact O-N 2.89Å; F824-R826 VanDerWaalsContact C-N 3.33Å
827E45Very low48.6Very low158 Ų158125 Ų12574%0.73863%0.627SS**Hα-helixtrans-78.5-21.7175.2-64.9-163.913600113.6E823 E829E823-E827 PolarHBondContact O-N 3.08Å; E827-E829 VanDerWaalsContact C-N 3.35Å; E827-E829 PolarHBondContact O-N 3.44Å
828A42.9Very low47.3Very low73 Ų73131.8 Ų131.860%0.60365%0.649SS**THydrogen-bonded Turntrans-80.6-4-175.800000115.5F824 P830F824-A828 VanDerWaalsContact O-CB 3.23Å; F824-A828 WeakPolarHBondContact O-CB 3.42Å; F824-A828 PolarHBondContact O-N 2.86Å; A828-P830 VanDerWaalsContact O-CD 3.22Å; A828-P830 WeakPolarHBondContact O-CD 3.22Å
829E34.9Very low46.6Very low129 Ų129138.5 Ų138.560%0.60368%0.677SS**  trans-93.3104.9179-80.4-73.6162.600111.5E827E827-E829 VanDerWaalsContact C-N 3.35Å; E827-E829 PolarHBondContact O-N 3.44Å
830P45.5Very low45.3Very low111 Ų111140.3 Ų140.372%0.72169%0.693SS**  trans-76.9126.4175.231.3-33.8000111A828 G832A828-P830 VanDerWaalsContact O-CD 3.22Å; A828-P830 WeakPolarHBondContact O-CD 3.22Å; P830-G832 PolarHBondContact O-N 3.4Å
831E39.6Very low44.2Very low189 Ų189144.3 Ų144.388%0.88372%0.715SS**  trans-44132.4-175.7-75.3-165.2102.400114.6K833E831-K833 PolarHBondContact O-N 2.94Å
832G41.7Very low43.2Very low70 Ų70149.4 Ų149.472%0.72274%0.737SS**  trans-58.2108-172.300000114.1P830 K834P830-G832 PolarHBondContact O-N 3.4Å; G832-K834 PolarHBondContact O-N 3.04Å
833K42.5Very low42.3Very low205 Ų205153 Ų15389%0.89176%0.757SS**  trans-60.7101.1174.7-71.3174.8-178.1167.40111.1E831 K835E831-K833 PolarHBondContact O-N 2.94Å; K833-K835 PolarHBondContact O-N 3.07Å
834K49.5Very low41.4Very low206 Ų206153.1 Ų153.190%0.89676%0.761SS**  trans-54.5129.9176.8-66.8174.7-179.5171.40110.6G832 G836G832-K834 PolarHBondContact O-N 3.04Å; K834-G836 PolarHBondContact O-N 3.41Å; K834-G836 VanDerWaalsContact O-N 3.07Å
835K47.4Very low41.2Very low212 Ų212155.4 Ų155.492%0.92277%0.77SS**  trans-65.1104.3-175.4-75.7179.8176.1173.50112.5K833K833-K835 PolarHBondContact O-N 3.07Å
836G37.7Very low40.4Very low76 Ų76157.5 Ų157.578%0.78478%0.784SS**  trans-71.8141.8157.200000110.9K834K834-G836 PolarHBondContact O-N 3.41Å; K834-G836 VanDerWaalsContact O-N 3.07Å
837K52.4Low39.7Very low181 Ų181155.1 Ų155.179%0.78779%0.786SS**  trans-93.4154-176-71.8177.4173.7174.40112.8
838F36.7Very low39Very low183 Ų183150.4 Ų150.480%0.80378%0.781SS**  trans69.8155.7169.3-59-68.6000115.8
839K40.4Very low38.5Very low185 Ų185154.5 Ų154.580%0.80479%0.792SS**  cis-143.3-179.45.2-140.2157.4-172.4175.60112.3
840T37.8Very low38.5Very low126 Ų126157 Ų15777%0.77380%0.801SS**  trans-71.3136.8-168.7490000116.3
841M38Very low38Very low177 Ų177163.1 Ų163.187%0.87281%0.81SS**  trans27.7120.5134.7-169.5173.782.700119.5
842K38.2Very low37.8Very low211 Ų211160.7 Ų160.792%0.91780%0.803SS**  trans-155156.5138.9-114.3166.3-171.81780111.9
843M34.5Very low37.4Very low169 Ų169162.2 Ų162.283%0.83381%0.809SS**  trans-117.5178.1-171.4-156.3-165.5-166.700110
844L32.9Very low36.9Very low120 Ų120161.9 Ų161.963%0.62881%0.807SS**  trans78125.3168.4-88.769.3000119.2
845K33.4Very low36.1Very low179 Ų179156.8 Ų156.878%0.77880%0.798SS**  trans70.1158.9135-68.6-175-171.1-179.90119
846L30.5Very low35.5Very low132 Ų132157 Ų15769%0.69180%0.799SS**  cis-175.7134.7-26.3170.760.6000107.1
847L32.4Very low35.4Very low165 Ų165158.7 Ų158.786%0.86480%0.798SS**  trans61.5164.2178.4-64.7159.9000113.9
848G29.1Very low35.4Very low60 Ų60155.2 Ų155.262%0.61979%0.794SS**  cis147119.2-8.800000112.2
849N34.2Very low35.3Very low158 Ų158156.7 Ų156.785%0.84579%0.794SS**  trans49.493.7165.4-67.1-0.8000119.5
850K35Very low35Very low181 Ų181153.1 Ų153.179%0.78778%0.784SS**  -19.3129.7129.1174.8-174.6-177.6178.20114.3D852K850-D852 WeakPolarHBondContact CE-OD2 3.43Å
851R34.9Very low35.2Very low241 Ų241156 Ų15691%0.90979%0.786SS**  trans-157.8124.2145.3-110.7168.7-168.9168.63.7111.2
852D35.3Very low35.6Very low137 Ų137157 Ų15773%0.73381%0.81SS**  trans-79.2147.4-179.2-54.4-109.9000112.8K850K850-D852 WeakPolarHBondContact CE-OD2 3.43Å
853A32.2Very low35.4Very low103 Ų103154.3 Ų154.385%0.85181%0.805SS**  trans-149.3129.7157.700000112.3
854K33.3Very low35.5Very low198 Ų198153.5 Ų153.586%0.86180%0.804SS**  trans-60.9161.4160.7-112102.9168.2-176.30109.3
855S32.5Very low35.6Very low99 Ų99155.4 Ų155.469%0.69281%0.813SS**  cis-175.5152.2339.10000110.5
856K34.3Very low35.8Very low217 Ų217154 Ų15494%0.94382%0.815SS**  trans-165.1159.2138-106.9159.8-173.9-179.70110.6
857S35Very low36.1Very low111 Ų111155.4 Ų155.478%0.77682%0.823SS**  trans-129.5-175.9-178.863.60000108.3
858P53.2Low36.3Very low107 Ų107154.7 Ų154.770%0.69582%0.82SS**  cis-127.4-156.8-3.637.9-17.3000112.2
859R33.4Very low36.9Very low215 Ų215161.5 Ų161.581%0.81184%0.835SS**  trans29148.8144.4-86.7175.1154.3-134.810.8120.8
860D34.5Very low37.1Very low110 Ų110161.8 Ų161.859%0.58883%0.834SS**  cis-149.3-167.619.9-137.1-53.9000111.9
861K43Very low37.2Very low185 Ų185160.2 Ų160.280%0.80484%0.838SS**  trans-67.9146.7-176.6-58.2168.3-177.2176.60115
862S45.3Very low37.4Very low199 Ų199152.8 Ų152.8100%1.39283%0.832SS**  trans-149.10132.1-74.40000108.6

Retrieved 862 of 862 residues in 1361.7 ms (Link to these results)

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