A0A077ZFU9_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077ZFU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M51.4Low67.8Low240 Ų240101.5 Ų101.5100%1.18256%0.561SS**  0121.30-73.4173.2168.600108.5
2V64Low67.1Low75 Ų75101.8 Ų101.846%0.45556%0.561SS.*  trans-73.8129.2177.3-179.10000108.7S4 L6 R7V2-S4 PolarHBondContact O-N 3.11Å; V2-L6 HydrophobicContact CG1-CB 4.21Å; V2-L6 HydrophobicContact CG1-CD2 4.08Å; V2-L6 HydrophobicContact CG1-CG 4.44Å; V2-R7 HydrophobicContact CB-CG 4.5Å; V2-R7 HydrophobicContact CG1-CG 3.95Å
3P72.5Confident66.6Low82 Ų82102.5 Ų102.553%0.53256%0.563SS.*  trans-57.7133178.9-21.831.4000110.8A5 L6 R7P3-A5 PolarHBondContact O-N 2.92Å; P3-A5 VanDerWaalsContact O-N 3.08Å; P3-L6 PolarHBondContact O-N 3.39Å; P3-R7 PolarHBondContact O-N 3.48Å
4S75.4Confident66.3Low83 Ų83104.6 Ų104.658%0.5857%0.566SS**Hα-helixtrans-53.5-31.2176.2-59.20000112.3V2 L6 R7 T8V2-S4 PolarHBondContact O-N 3.11Å; S4-L6 PolarHBondContact O-N 3.1Å; S4-R7 PolarHBondContact O-N 3.15Å; S4-T8 WeakPolarHBondContact O-CB 3.3Å; S4-T8 PolarHBondContact O-N 2.79Å; S4-T8 PolarHBondContact O-OG1 3.01Å
5A74.2Confident65.7Low76 Ų76102.8 Ų102.863%0.62856%0.556SS**Hα-helixtrans-61.7-40.4173.700000113P3 T8 H9P3-A5 PolarHBondContact O-N 2.92Å; P3-A5 VanDerWaalsContact O-N 3.08Å; A5-T8 PolarHBondContact O-N 3.04Å; A5-H9 WeakPolarHBondContact O-CB 3.49Å; A5-H9 PolarHBondContact O-N 3.16Å
6L73.8Confident65.2Low86 Ų86103.1 Ų103.145%0.4557%0.566SS.*Hα-helixtrans-72.5-38.6179.1-175.362.7000111.5V2 P3 S4 T8 H9 V10V2-L6 HydrophobicContact CG1-CB 4.21Å; V2-L6 HydrophobicContact CG1-CD2 4.08Å; V2-L6 HydrophobicContact CG1-CG 4.44Å; P3-L6 PolarHBondContact O-N 3.39Å; S4-L6 PolarHBondContact O-N 3.1Å; L6-T8 VanDerWaalsContact C-N 3.28Å; L6-T8 PolarHBondContact O-N 3.21Å; L6-H9 PolarHBondContact O-N 2.82Å; L6-V10 HydrophobicContact CD1-CG2 4.38Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 2.84Å
7R67.2Low64.8Low148 Ų148103 Ų10356%0.55856%0.564SS**Hα-helixtrans-60.6-41.9173.2-65.8-174.2-168.8138.6-2.1111.3V2 P3 S4 V10 L11V2-R7 HydrophobicContact CB-CG 4.5Å; V2-R7 HydrophobicContact CG1-CG 3.95Å; P3-R7 PolarHBondContact O-N 3.48Å; S4-R7 PolarHBondContact O-N 3.15Å; R7-V10 PolarHBondContact O-N 3.01Å; R7-L11 WeakPolarHBondContact O-CB 3.42Å; R7-L11 PolarHBondContact O-N 3.07Å
8T66.8Low64.5Low72 Ų72103.2 Ų103.244%0.44256%0.555SS.*Hα-helixtrans-66.6-40.7177.8-52.90000111.6S4 A5 L6 L11 N12S4-T8 WeakPolarHBondContact O-CB 3.3Å; S4-T8 PolarHBondContact O-N 2.79Å; S4-T8 PolarHBondContact O-OG1 3.01Å; A5-T8 PolarHBondContact O-N 3.04Å; L6-T8 VanDerWaalsContact C-N 3.28Å; L6-T8 PolarHBondContact O-N 3.21Å; T8-L11 PolarHBondContact O-N 2.89Å; T8-N12 WeakPolarHBondContact CG2-ND2 3.34Å; T8-N12 WeakPolarHBondContact O-CB 3.17Å; T8-N12 VanDerWaalsContact O-CG 3.32Å; T8-N12 PolarHBondContact O-N 2.69Å; T8-N12 PolarHBondContact O-ND2 3.4Å
9H71.2Confident64.4Low85 Ų85107.7 Ų107.739%0.39456%0.563SS.*Hα-helixtrans-60.8-49.9173.4170.264.9000111.7A5 L6 L11 N12 D13 H14A5-H9 WeakPolarHBondContact O-CB 3.49Å; A5-H9 PolarHBondContact O-N 3.16Å; L6-H9 PolarHBondContact O-N 2.82Å; H9-L11 VanDerWaalsContact C-N 3.29Å; H9-L11 PolarHBondContact O-N 3.4Å; H9-N12 PolarHBondContact O-N 2.95Å; H9-D13 IonicContact CE1-OD2 3.29Å; H9-D13 PolarHBondContact CE1-OD2 3.45Å; H9-D13 VanDerWaalsContact CE1-OD2 3.29Å; H9-D13 IonicContact CG-OD2 3.78Å; H9-D13 IonicContact ND1-OD2 2.7Å; H9-D13 PolarHBondContact ND1-OD2 3.48Å; H9-D13 VanDerWaalsContact O-CB 3.28Å; H9-D13 WeakPolarHBondContact O-CB 3.14Å; H9-D13 PolarHBondContact O-N 3.1Å; H9-H14 AromaticContact NE2-NE2 3.93Å
10V66.1Low64.8Low69 Ų69104.8 Ų104.842%0.41855%0.546SS..Iπ-helixtrans-65.8-35.1178178.30000111L6 R7 H14 N15L6-V10 HydrophobicContact CD1-CG2 4.38Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 2.84Å; R7-V10 PolarHBondContact O-N 3.01Å; V10-H14 HydrophobicContact CG1-CB 3.99Å; V10-H14 CarbonylContact O-C 3.29Å; V10-H14 VanDerWaalsContact O-C 3.29Å; V10-H14 VanDerWaalsContact O-CA 3.31Å; V10-H14 WeakPolarHBondContact O-CA 3.41Å; V10-H14 VanDerWaalsContact O-CB 3.29Å; V10-H14 WeakPolarHBondContact O-CB 3.5Å; V10-H14 PolarHBondContact O-N 3.07Å; V10-N15 PolarHBondContact O-N 3.33Å
11L63.1Low65.1Low101 Ų101104.2 Ų104.253%0.52954%0.542SS..Iπ-helixtrans-69.1-32.8176.2-172.163.8000113R7 T8 H9 N15R7-L11 WeakPolarHBondContact O-CB 3.42Å; R7-L11 PolarHBondContact O-N 3.07Å; T8-L11 PolarHBondContact O-N 2.89Å; H9-L11 VanDerWaalsContact C-N 3.29Å; H9-L11 PolarHBondContact O-N 3.4Å; L11-N15 HydrophobicContact CD1-CB 3.97Å; L11-N15 WeakPolarHBondContact CD1-ND2 3.42Å; L11-N15 WeakPolarHBondContact O-CB 3.42Å
12N59.2Low66.4Low105 Ų10593 Ų9356%0.56149%0.487SS*.Iπ-helixtrans-96-35.9-176.3-70-40.2000113.1T8 H9T8-N12 WeakPolarHBondContact CG2-ND2 3.34Å; T8-N12 WeakPolarHBondContact O-CB 3.17Å; T8-N12 VanDerWaalsContact O-CG 3.32Å; T8-N12 PolarHBondContact O-N 2.69Å; T8-N12 PolarHBondContact O-ND2 3.4Å; H9-N12 PolarHBondContact O-N 2.95Å
13D60.8Low66.8Low110 Ų11097 Ų9759%0.58851%0.507SS*.Iπ-helixtrans-100.1-26.3-174.1-65.3-54.5000112.9H9H9-D13 IonicContact CE1-OD2 3.29Å; H9-D13 PolarHBondContact CE1-OD2 3.45Å; H9-D13 VanDerWaalsContact CE1-OD2 3.29Å; H9-D13 IonicContact CG-OD2 3.78Å; H9-D13 IonicContact ND1-OD2 2.7Å; H9-D13 PolarHBondContact ND1-OD2 3.48Å; H9-D13 VanDerWaalsContact O-CB 3.28Å; H9-D13 WeakPolarHBondContact O-CB 3.14Å; H9-D13 PolarHBondContact O-N 3.1Å
14H62.5Low66.6Low132 Ų13294.8 Ų94.861%0.61150%0.498SS*.Iπ-helixtrans-115.1-10.5-180-67.6-65000114.5H9 V10 P16H9-H14 AromaticContact NE2-NE2 3.93Å; V10-H14 HydrophobicContact CG1-CB 3.99Å; V10-H14 CarbonylContact O-C 3.29Å; V10-H14 VanDerWaalsContact O-C 3.29Å; V10-H14 VanDerWaalsContact O-CA 3.31Å; V10-H14 WeakPolarHBondContact O-CA 3.41Å; V10-H14 VanDerWaalsContact O-CB 3.29Å; V10-H14 WeakPolarHBondContact O-CB 3.5Å; V10-H14 PolarHBondContact O-N 3.07Å; H14-P16 WeakPolarHBondContact O-CD 3.4Å
15N57.1Low66.6Low78 Ų7892.7 Ų92.742%0.41748%0.483SS..  trans-83.9120.3177.1-152.1-79.7000109.5V10 L11 D17V10-N15 PolarHBondContact O-N 3.33Å; L11-N15 HydrophobicContact CD1-CB 3.97Å; L11-N15 WeakPolarHBondContact CD1-ND2 3.42Å; L11-N15 WeakPolarHBondContact O-CB 3.42Å; N15-D17 PolarHBondContact O-N 3.33Å
16P58.1Low66.7Low108 Ų10891.5 Ų91.570%0.70148%0.478SS*.  trans-77.832.9-176.235.1-37.1000113.1H14 R18H14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-R18 PolarHBondContact O-N 3.18Å
17D59.1Low66.8Low101 Ų10191.4 Ų91.454%0.5448%0.478SS..  trans-74.739.6164.5-161.753.6000111.1N15 R19N15-D17 PolarHBondContact O-N 3.33Å; D17-R19 PolarHBondContact O-N 2.71Å; D17-R19 IonicContact OD2-CZ 3.71Å; D17-R19 IonicContact OD2-NE 2.99Å; D17-R19 PolarHBondContact OD2-NE 3.23Å; D17-R19 IonicContact OD2-NH2 3.5Å
18R58.2Low67.3Low106 Ų10685.8 Ų85.840%0.446%0.464SS..  trans-74.482.1160.7-73.7-164.1-174.5-158.20.6106.1P16 F20 I21 A28 F29 T30P16-R18 PolarHBondContact O-N 3.18Å; R18-F20 PolarHBondContact O-N 3.48Å; R18-I21 WeakPolarHBondContact O-CG1 3.4Å; R18-A28 HydrophobicContact CB-CB 3.58Å; R18-A28 WeakPolarHBondContact CD-O 3.27Å; R18-A28 HydrophobicContact CG-CB 4.25Å; R18-A28 PolarHBondContact NH1-O 2.93Å; R18-F29 WeakPolarHBondContact CA-O 3.45Å; R18-F29 VanDerWaalsContact CB-O 3.29Å; R18-F29 WeakPolarHBondContact CB-O 3.32Å; R18-T30 HydrophobicContact CG-CG2 3.74Å
19R63.6Low68Low189 Ų18984.1 Ų84.171%0.71345%0.45SS*.  trans-53.2-15.8-178.9-56.8177-178.5-166.5-2.9114.2D17D17-R19 PolarHBondContact O-N 2.71Å; D17-R19 IonicContact OD2-CZ 3.71Å; D17-R19 IonicContact OD2-NE 2.99Å; D17-R19 PolarHBondContact OD2-NE 3.23Å; D17-R19 IonicContact OD2-NH2 3.5Å
20F71.7Confident68.2Low50 Ų5084.2 Ų84.222%0.21946%0.457CS..EExtended strand (participates in β ladder)trans-113.687.5-173.2-56.9-67.9000108.9R18 F29 R32 L35R18-F20 PolarHBondContact O-N 3.48Å; F20-F29 HydrophobicContact CB-CB 4.39Å; F20-F29 PolarHBondContact O-N 2.9Å; F20-R32 HydrophobicContact CD1-CB 4.06Å; F20-R32 HydrophobicContact CD1-CG 4.23Å; F20-R32 HydrophobicContact CD2-CB 4.28Å; F20-R32 HydrophobicContact CE1-CB 3.91Å; F20-R32 HydrophobicContact CE1-CG 4.15Å; F20-R32 HydrophobicContact CE2-CB 4.12Å; F20-R32 HydrophobicContact CG-CB 4.24Å; F20-R32 HydrophobicContact CZ-CB 3.94Å; F20-L35 HydrophobicContact CB-CB 3.87Å; F20-L35 HydrophobicContact CB-CD1 3.71Å; F20-L35 HydrophobicContact CB-CG 4.29Å; F20-L35 WeakPolarHBondContact O-CD1 3.42Å
21I72.1Confident68.8Low92 Ų9288.5 Ų88.547%0.47247%0.466SS..EExtended strand (participates in β ladder)trans-97.5130.2176.8-54.7171.8000108.3R18 N23 D27 A28 L35R18-I21 WeakPolarHBondContact O-CG1 3.4Å; I21-N23 PolarHBondContact O-N 3.41Å; I21-D27 CarbonylContact C-O 3.58Å; I21-D27 WeakPolarHBondContact CA-O 3.42Å; I21-A28 HydrophobicContact CG1-CB 4Å; I21-L35 WeakPolarHBondContact O-CD1 3.35Å
22C78.9Confident69.6Low4 Ų491.6 Ų91.63%0.02747%0.47CS..  trans-73.5124173.8-179.80000109.9G24 G26 D27 F29 H38 C42C22-G24 VanDerWaalsContact C-N 3.26Å; C22-G24 PolarHBondContact O-N 3.3Å; C22-G24 PolarHBondContact SG-N 2.73Å; C22-G26 VanDerWaalsContact O-CA 3.25Å; C22-G26 WeakPolarHBondContact O-CA 3.5Å; C22-G26 PolarHBondContact O-N 3.21Å; C22-D27 PolarHBondContact N-O 3.46Å; C22-F29 HydrophobicContact CB-CE2 4.34Å; C22-H38 VanDerWaalsContact CB-CD2 3.42Å; C22-H38 WeakPolarHBondContact CB-CD2 3.5Å; C22-H38 WeakPolarHBondContact CB-NE2 3.33Å; C22-H38 PolarHBondContact SG-CD2 2.77Å; C22-H38 PolarHBondContact SG-NE2 2.79Å; C22-C42 VanDerWaalsContact SG-SG 3.67Å
23N72.2Confident70.9Confident161 Ų16192.3 Ų92.386%0.86147%0.474SS*.THydrogen-bonded Turntrans-69.6-19.7179.9-69-46.8000113.8I21I21-N23 PolarHBondContact O-N 3.41Å
24G68Low72Confident34 Ų3491 Ų9135%0.35147%0.465SS..THydrogen-bonded Turntrans-81.7-39.3-178.800000114.1C22 N44C22-G24 VanDerWaalsContact C-N 3.26Å; C22-G24 PolarHBondContact O-N 3.3Å; C22-G24 PolarHBondContact SG-N 2.73Å; G24-N44 WeakPolarHBondContact O-CB 3.45Å
25C75.9Confident73.1Confident39 Ų3985.5 Ų85.526%0.26444%0.439SS..THydrogen-bonded Turntrans-120.6-11-176.267.90000114.7D27 H38 N44C25-D27 VanDerWaalsContact C-N 3.32Å; C25-D27 WeakPolarHBondContact SG-CB 3.43Å; C25-D27 VanDerWaalsContact SG-CG 3.56Å; C25-D27 PolarHBondContact SG-N 3.27Å; C25-D27 PolarHBondContact SG-OD2 2.77Å; C25-H38 PolarHBondContact SG-CE1 2.84Å; C25-H38 PolarHBondContact SG-NE2 3.45Å; C25-N44 HydrophobicContact CB-CB 4.04Å; C25-N44 WeakPolarHBondContact CB-ND2 3.44Å
26G75.6Confident74.4Confident51 Ų5188.6 Ų88.653%0.52645%0.449SS..  trans78.75.8-174.400000115.2C22 A28C22-G26 VanDerWaalsContact O-CA 3.25Å; C22-G26 WeakPolarHBondContact O-CA 3.5Å; C22-G26 PolarHBondContact O-N 3.21Å; G26-A28 PolarHBondContact O-N 2.76Å
27D76.1Confident75.6Confident84 Ų8490.4 Ų90.445%0.44945%0.446SS..  trans-67.4125.3177.6-78.8-52.4000110.9I21 C22 C25 F29 H38I21-D27 CarbonylContact C-O 3.58Å; I21-D27 WeakPolarHBondContact CA-O 3.42Å; C22-D27 PolarHBondContact N-O 3.46Å; C25-D27 VanDerWaalsContact C-N 3.32Å; C25-D27 WeakPolarHBondContact SG-CB 3.43Å; C25-D27 VanDerWaalsContact SG-CG 3.56Å; C25-D27 PolarHBondContact SG-N 3.27Å; C25-D27 PolarHBondContact SG-OD2 2.77Å; D27-F29 HydrophobicContact CB-CE2 3.62Å; D27-F29 HydrophobicContact CB-CZ 3.8Å; D27-F29 WeakPolarHBondContact O-CD2 3.28Å; D27-F29 WeakPolarHBondContact O-CE2 3.47Å; D27-H38 IonicContact OD2-CE1 3.32Å; D27-H38 PolarHBondContact OD2-CE1 3.45Å
28A78.3Confident76.9Confident31 Ų3187.4 Ų87.426%0.25643%0.429SS..EExtended strand (participates in β ladder)trans-93137.217800000110.2R18 I21 G26R18-A28 HydrophobicContact CB-CB 3.58Å; R18-A28 WeakPolarHBondContact CD-O 3.27Å; R18-A28 HydrophobicContact CG-CB 4.25Å; R18-A28 PolarHBondContact NH1-O 2.93Å; I21-A28 HydrophobicContact CG1-CB 4Å; G26-A28 PolarHBondContact O-N 2.76Å
29F79.5Confident78Confident37 Ų3786.6 Ų86.616%0.16243%0.429CS..EExtended strand (participates in β ladder)trans-122.7141.7179.6-62.7-86.3000111.9R18 F20 C22 D27 R31 H34 L35 H38R18-F29 WeakPolarHBondContact CA-O 3.45Å; R18-F29 VanDerWaalsContact CB-O 3.29Å; R18-F29 WeakPolarHBondContact CB-O 3.32Å; F20-F29 HydrophobicContact CB-CB 4.39Å; F20-F29 PolarHBondContact O-N 2.9Å; C22-F29 HydrophobicContact CB-CE2 4.34Å; D27-F29 HydrophobicContact CB-CE2 3.62Å; D27-F29 HydrophobicContact CB-CZ 3.8Å; D27-F29 WeakPolarHBondContact O-CD2 3.28Å; D27-F29 WeakPolarHBondContact O-CE2 3.47Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 3.5Å; F29-H34 HydrophobicContact CB-CB 4.24Å; F29-H34 HydrophobicContact CD1-CB 3.59Å; F29-H34 HydrophobicContact CE1-CB 4.35Å; F29-H34 HydrophobicContact CG-CB 4.17Å; F29-L35 HydrophobicContact CB-CB 4.14Å; F29-L35 HydrophobicContact CD2-CB 3.82Å; F29-L35 HydrophobicContact CD2-CD1 4.37Å; F29-L35 HydrophobicContact CD2-CG 4.42Å; F29-L35 HydrophobicContact CG-CB 4.13Å; F29-H38 HydrophobicContact CE1-CB 4Å; F29-H38 HydrophobicContact CE2-CB 3.68Å; F29-H38 AromaticContact CE2-CD2 3.72Å; F29-H38 AromaticContact CE2-CG 3.5Å; F29-H38 VanDerWaalsContact CE2-CG 3.5Å; F29-H38 HydrophobicContact CZ-CB 3.33Å; F29-H38 AromaticContact CZ-CD2 3.94Å; F29-H38 AromaticContact CZ-CG 3.25Å; F29-H38 AromaticContact CZ-ND1 3.47Å; F29-H38 WeakPolarHBondContact CZ-ND1 3.4Å
30T76.1Confident78.9Confident87 Ų8782.8 Ų82.853%0.53443%0.427SS..SBendtrans-75.2-17.4176.152.60000112.9R18R18-T30 HydrophobicContact CG-CG2 3.74Å
31R78Confident79.1Confident159 Ų15986.9 Ų86.960%0.645%0.451SS*.SBendtrans-136.8143.2178.7-45.6177.3177.7160.1-6.4111.4F29 N33 H34 L35F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 3.5Å; R31-N33 VanDerWaalsContact C-N 3.29Å; R31-N33 PolarHBondContact O-N 3.42Å; R31-H34 PolarHBondContact O-N 3.45Å; R31-H34 VanDerWaalsContact O-N 3.13Å; R31-L35 PolarHBondContact O-N 3.34Å
32R81.7Confident79.4Confident166 Ų16682.9 Ų82.963%0.62643%0.431SS*.Hα-helixtrans-56.9-36.6176.5-170.8-179.6-68.5161.7-4113.6F20 H34 L35 K36F20-R32 HydrophobicContact CD1-CB 4.06Å; F20-R32 HydrophobicContact CD1-CG 4.23Å; F20-R32 HydrophobicContact CD2-CB 4.28Å; F20-R32 HydrophobicContact CE1-CB 3.91Å; F20-R32 HydrophobicContact CE1-CG 4.15Å; F20-R32 HydrophobicContact CE2-CB 4.12Å; F20-R32 HydrophobicContact CG-CB 4.24Å; F20-R32 HydrophobicContact CZ-CB 3.94Å; R32-H34 VanDerWaalsContact C-N 3.28Å; R32-H34 PolarHBondContact O-N 3.47Å; R32-L35 PolarHBondContact O-N 3.3Å; R32-K36 PolarHBondContact O-N 3.17Å
33N84.6Confident78.9Confident120 Ų12089.3 Ų89.364%0.64246%0.464SS*.Hα-helixtrans-63.6-33179.4-66.4-16.2000112.8R31 K37R31-N33 VanDerWaalsContact C-N 3.29Å; R31-N33 PolarHBondContact O-N 3.42Å; N33-K37 WeakPolarHBondContact O-CG 3.5Å; N33-K37 PolarHBondContact O-N 3.37Å
34H83.9Confident78.4Confident83 Ų8386.9 Ų86.938%0.38445%0.451SS..Hα-helixtrans-75.4-40.4176.5-63.9-65.4000111.1F29 R31 R32 K37 H38F29-H34 HydrophobicContact CB-CB 4.24Å; F29-H34 HydrophobicContact CD1-CB 3.59Å; F29-H34 HydrophobicContact CE1-CB 4.35Å; F29-H34 HydrophobicContact CG-CB 4.17Å; R31-H34 PolarHBondContact O-N 3.45Å; R31-H34 VanDerWaalsContact O-N 3.13Å; R32-H34 VanDerWaalsContact C-N 3.28Å; R32-H34 PolarHBondContact O-N 3.47Å; H34-K37 PolarHBondContact O-N 2.83Å; H34-H38 VanDerWaalsContact O-CB 3.26Å; H34-H38 WeakPolarHBondContact O-CB 3.37Å; H34-H38 PolarHBondContact O-N 2.97Å
35L86.2Confident77.9Confident16 Ų1687.9 Ų87.98%0.08445%0.453CS..Hα-helixtrans-58.6-47.5171.3173.6135.1000111.2F20 I21 F29 R31 R32 K37 H38 E39F20-L35 HydrophobicContact CB-CB 3.87Å; F20-L35 HydrophobicContact CB-CD1 3.71Å; F20-L35 HydrophobicContact CB-CG 4.29Å; F20-L35 WeakPolarHBondContact O-CD1 3.42Å; I21-L35 WeakPolarHBondContact O-CD1 3.35Å; F29-L35 HydrophobicContact CB-CB 4.14Å; F29-L35 HydrophobicContact CD2-CB 3.82Å; F29-L35 HydrophobicContact CD2-CD1 4.37Å; F29-L35 HydrophobicContact CD2-CG 4.42Å; F29-L35 HydrophobicContact CG-CB 4.13Å; R31-L35 PolarHBondContact O-N 3.34Å; R32-L35 PolarHBondContact O-N 3.3Å; L35-K37 PolarHBondContact O-N 2.89Å; L35-H38 CarbonylContact O-C 3.46Å; L35-H38 WeakPolarHBondContact O-CA 3.34Å; L35-H38 WeakPolarHBondContact O-CB 3.34Å; L35-H38 PolarHBondContact O-N 3.13Å; L35-E39 VanDerWaalsContact CD2-CD 3.45Å; L35-E39 HydrophobicContact CD2-CG 4.23Å; L35-E39 WeakPolarHBondContact CD2-OE1 3.38Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.4Å; L35-E39 HydrophobicContact CG-CG 4.29Å; L35-E39 WeakPolarHBondContact O-CG 3.47Å; L35-E39 PolarHBondContact O-N 3.2Å
36K84.9Confident76.7Confident142 Ų14292.3 Ų92.362%0.61747%0.468SS*.Hα-helixtrans-60.9-42.2-179.9-170.7174.1-176.51780112.9R32 H38 E39 T40R32-K36 PolarHBondContact O-N 3.17Å; K36-H38 VanDerWaalsContact C-N 3.31Å; K36-E39 PolarHBondContact O-N 3.43Å; K36-T40 PolarHBondContact O-N 3.34Å; K36-T40 PolarHBondContact O-OG1 3.42Å
37K84.1Confident75.7Confident147 Ų14797.3 Ų97.364%0.63948%0.478SS*.Hα-helixtrans-66.6-35.1173.9-74-176.9177.1-169.60112.2N33 H34 L35 T40 L41N33-K37 WeakPolarHBondContact O-CG 3.5Å; N33-K37 PolarHBondContact O-N 3.37Å; H34-K37 PolarHBondContact O-N 2.83Å; L35-K37 PolarHBondContact O-N 2.89Å; K37-T40 WeakPolarHBondContact CA-OG1 3.41Å; K37-T40 PolarHBondContact O-OG1 3.3Å; K37-L41 WeakPolarHBondContact O-CG 3.38Å; K37-L41 PolarHBondContact O-N 2.96Å
38H85.3Confident74.6Confident38 Ų38101.4 Ų101.418%0.17649%0.494CS..Hα-helixtrans-68.8-45.3175.6170.487.5000111C22 C25 D27 F29 H34 L35 K36 T40 L41 C42C22-H38 VanDerWaalsContact CB-CD2 3.42Å; C22-H38 WeakPolarHBondContact CB-CD2 3.5Å; C22-H38 WeakPolarHBondContact CB-NE2 3.33Å; C22-H38 PolarHBondContact SG-CD2 2.77Å; C22-H38 PolarHBondContact SG-NE2 2.79Å; C25-H38 PolarHBondContact SG-CE1 2.84Å; C25-H38 PolarHBondContact SG-NE2 3.45Å; D27-H38 IonicContact OD2-CE1 3.32Å; D27-H38 PolarHBondContact OD2-CE1 3.45Å; F29-H38 HydrophobicContact CE1-CB 4Å; F29-H38 HydrophobicContact CE2-CB 3.68Å; F29-H38 AromaticContact CE2-CD2 3.72Å; F29-H38 AromaticContact CE2-CG 3.5Å; F29-H38 VanDerWaalsContact CE2-CG 3.5Å; F29-H38 HydrophobicContact CZ-CB 3.33Å; F29-H38 AromaticContact CZ-CD2 3.94Å; F29-H38 AromaticContact CZ-CG 3.25Å; F29-H38 AromaticContact CZ-ND1 3.47Å; F29-H38 WeakPolarHBondContact CZ-ND1 3.4Å; H34-H38 VanDerWaalsContact O-CB 3.26Å; H34-H38 WeakPolarHBondContact O-CB 3.37Å; H34-H38 PolarHBondContact O-N 2.97Å; L35-H38 CarbonylContact O-C 3.46Å; L35-H38 WeakPolarHBondContact O-CA 3.34Å; L35-H38 WeakPolarHBondContact O-CB 3.34Å; L35-H38 PolarHBondContact O-N 3.13Å; K36-H38 VanDerWaalsContact C-N 3.31Å; H38-T40 VanDerWaalsContact C-N 3.27Å; H38-T40 PolarHBondContact O-N 3.17Å; H38-L41 CarbonylContact O-C 3.51Å; H38-L41 VanDerWaalsContact O-C 3.28Å; H38-L41 WeakPolarHBondContact O-CA 3.36Å; H38-L41 PolarHBondContact O-N 3.04Å; H38-C42 PolarHBondContact NE2-SG 2.89Å; H38-C42 WeakPolarHBondContact O-CA 3.48Å; H38-C42 VanDerWaalsContact O-CB 3.27Å; H38-C42 WeakPolarHBondContact O-CB 3.42Å; H38-C42 PolarHBondContact O-N 3.35Å
39E82Confident73.1Confident88 Ų88106.1 Ų106.141%0.41151%0.514SS..Hα-helixtrans-55.8-41.4176.6-73.9174.1152.100111.7L35 K36 L41 C42L35-E39 VanDerWaalsContact CD2-CD 3.45Å; L35-E39 HydrophobicContact CD2-CG 4.23Å; L35-E39 WeakPolarHBondContact CD2-OE1 3.38Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.4Å; L35-E39 HydrophobicContact CG-CG 4.29Å; L35-E39 WeakPolarHBondContact O-CG 3.47Å; L35-E39 PolarHBondContact O-N 3.2Å; K36-E39 PolarHBondContact O-N 3.43Å; E39-L41 PolarHBondContact O-N 3.38Å; E39-C42 PolarHBondContact O-N 3.43Å
40T82.9Confident71.6Confident110 Ų110110.5 Ų110.568%0.67553%0.53SS*.THydrogen-bonded Turntrans-64.7-20.5175.752.60000114.1K36 K37 H38K36-T40 PolarHBondContact O-N 3.34Å; K36-T40 PolarHBondContact O-OG1 3.42Å; K37-T40 WeakPolarHBondContact CA-OG1 3.41Å; K37-T40 PolarHBondContact O-OG1 3.3Å; H38-T40 VanDerWaalsContact C-N 3.27Å; H38-T40 PolarHBondContact O-N 3.17Å
41L75.7Confident70.2Confident136 Ų136110.6 Ų110.671%0.71254%0.54SS*.THydrogen-bonded Turntrans-114.54.4-179.3-61175.5000112.2K37 H38 E39 L43K37-L41 WeakPolarHBondContact O-CG 3.38Å; K37-L41 PolarHBondContact O-N 2.96Å; H38-L41 CarbonylContact O-C 3.51Å; H38-L41 VanDerWaalsContact O-C 3.28Å; H38-L41 WeakPolarHBondContact O-CA 3.36Å; H38-L41 PolarHBondContact O-N 3.04Å; E39-L41 PolarHBondContact O-N 3.38Å; L41-L43 PolarHBondContact O-N 2.89Å
42C77.8Confident69Low7 Ų7108 Ų1085%0.04755%0.547CS..  trans-79.789.7-171.6-168.60000108.9C22 H38 E39 N44 S45C22-C42 VanDerWaalsContact SG-SG 3.67Å; H38-C42 PolarHBondContact NE2-SG 2.89Å; H38-C42 WeakPolarHBondContact O-CA 3.48Å; H38-C42 VanDerWaalsContact O-CB 3.27Å; H38-C42 WeakPolarHBondContact O-CB 3.42Å; H38-C42 PolarHBondContact O-N 3.35Å; E39-C42 PolarHBondContact O-N 3.43Å; C42-N44 PolarHBondContact O-N 3.48Å; C42-N44 VanDerWaalsContact O-N 3.1Å; C42-S45 PolarHBondContact O-N 2.85Å; C42-S45 PolarHBondContact O-OG 3.48Å
43L67.7Low67.5Low139 Ų139104.6 Ų104.673%0.72854%0.54SS*.G310 helixtrans-59.8-19.8177.5-64.2172.5000112.8L41 S45 F46L41-L43 PolarHBondContact O-N 2.89Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.29Å; L43-F46 WeakPolarHBondContact O-CB 3.26Å; L43-F46 PolarHBondContact O-N 2.96Å
44N61.6Low65.9Low110 Ų110103.8 Ų103.859%0.58854%0.541SS*.G310 helixtrans-73.6-14.5174.1-66.9-50.5000113.7G24 C25 C42G24-N44 WeakPolarHBondContact O-CB 3.45Å; C25-N44 HydrophobicContact CB-CB 4.04Å; C25-N44 WeakPolarHBondContact CB-ND2 3.44Å; C42-N44 PolarHBondContact O-N 3.48Å; C42-N44 VanDerWaalsContact O-N 3.1Å
45S57.8Low64.2Low56 Ų56109 Ų10939%0.39256%0.563SS.*G310 helixtrans-87.4-7.9166.657.50000113.6C42 L43C42-S45 PolarHBondContact O-N 2.85Å; C42-S45 PolarHBondContact O-OG 3.48Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.29Å
46F50.7Low62.1Low131 Ų131113.7 Ų113.758%0.57560%0.596SS**G310 helixtrans-90.7-15.7-176.2-137.4-92.4000113.9L43 Q48 L49L43-F46 WeakPolarHBondContact O-CB 3.26Å; L43-F46 PolarHBondContact O-N 2.96Å; F46-Q48 PolarHBondContact O-N 3.46Å; F46-Q48 VanDerWaalsContact O-N 3.16Å; F46-L49 PolarHBondContact O-N 3.38Å
47E54.1Low60Low157 Ų157112 Ų11273%0.73460%0.602SS**G310 helixtrans-63-16.2170.7-90.7-83.4114.100112.8
48Q53.2Low58.4Low170 Ų170112.5 Ų112.579%0.79461%0.611SS**G310 helixtrans-90.70.2172.8-83.3170-400114.5F46F46-Q48 PolarHBondContact O-N 3.46Å; F46-Q48 VanDerWaalsContact O-N 3.16Å
49L48.5Very low56.4Low129 Ų129115.4 Ų115.468%0.67564%0.636SS**THydrogen-bonded Turntrans-116.2-2.3176.6-77.9168.4000114.8F46F46-L49 PolarHBondContact O-N 3.38Å
50Y46.7Very low55.2Low129 Ų129116.3 Ų116.351%0.50665%0.652SS.*  trans-96.75170.5-172.7-92.4000113.5S52 I53Y50-S52 PolarHBondContact O-N 3.47Å; Y50-I53 HydrophobicContact CD2-CD1 3.76Å; Y50-I53 HydrophobicContact CD2-CG1 3.7Å; Y50-I53 HydrophobicContact CE1-CB 3.99Å; Y50-I53 HydrophobicContact CE1-CG1 4.08Å; Y50-I53 HydrophobicContact CE2-CB 3.98Å; Y50-I53 HydrophobicContact CE2-CD1 3.01Å; Y50-I53 HydrophobicContact CE2-CG1 3.24Å; Y50-I53 HydrophobicContact CG-CG1 4.33Å; Y50-I53 VanDerWaalsContact CZ-CD1 3.47Å; Y50-I53 PolarHBondContact O-N 3.46Å; Y50-I53 WeakPolarHBondContact OH-CB 3.33Å; Y50-I53 WeakPolarHBondContact OH-CD1 3.33Å
51A47.7Very low53.8Low90 Ų90119 Ų11974%0.74466%0.657SS**THydrogen-bonded Turntrans-69.726.4176.500000114.8
52S51.1Low52.8Low104 Ų104119.9 Ų119.973%0.72766%0.663SS**THydrogen-bonded Turntrans-140.514.3-179.7-54.60000114.1Y50 P54Y50-S52 PolarHBondContact O-N 3.47Å; S52-P54 VanDerWaalsContact O-CD 3.3Å; S52-P54 WeakPolarHBondContact O-CD 3.31Å
53I52.1Low51.8Low95 Ų95126.2 Ų126.249%0.48770%0.696SS.*  trans-84.2112.9166.7-55-140.8000108.2Y50 F55Y50-I53 HydrophobicContact CD2-CD1 3.76Å; Y50-I53 HydrophobicContact CD2-CG1 3.7Å; Y50-I53 HydrophobicContact CE1-CB 3.99Å; Y50-I53 HydrophobicContact CE1-CG1 4.08Å; Y50-I53 HydrophobicContact CE2-CB 3.98Å; Y50-I53 HydrophobicContact CE2-CD1 3.01Å; Y50-I53 HydrophobicContact CE2-CG1 3.24Å; Y50-I53 HydrophobicContact CG-CG1 4.33Å; Y50-I53 VanDerWaalsContact CZ-CD1 3.47Å; Y50-I53 PolarHBondContact O-N 3.46Å; Y50-I53 WeakPolarHBondContact OH-CB 3.33Å; Y50-I53 WeakPolarHBondContact OH-CD1 3.33Å; I53-F55 PolarHBondContact O-N 3.31Å; I53-F55 VanDerWaalsContact O-N 3.1Å
54P50.6Low51.4Low103 Ų103127.6 Ų127.667%0.66970%0.702SS**  trans-64.3114.9178.3-7.823.4000107.4S52 C56S52-P54 VanDerWaalsContact O-CD 3.3Å; S52-P54 WeakPolarHBondContact O-CD 3.31Å; P54-C56 VanDerWaalsContact C-N 3.28Å; P54-C56 PolarHBondContact O-N 3.39Å
55F47.2Very low51Low193 Ų193125.9 Ų125.985%0.84671%0.711SS**  trans-68.197.5164.8-115.4-93.1000106.4I53 S57I53-F55 PolarHBondContact O-N 3.31Å; I53-F55 VanDerWaalsContact O-N 3.1Å; F55-S57 PolarHBondContact O-N 2.81Å; F55-S57 VanDerWaalsContact O-N 3.11Å
56C43.1Very low50.5Low113 Ų113131 Ų13176%0.76473%0.733SS**  trans-59113.7169.7-68.20000107.7P54 D58P54-C56 VanDerWaalsContact C-N 3.28Å; P54-C56 PolarHBondContact O-N 3.39Å; C56-D58 PolarHBondContact O-N 2.96Å; C56-D58 VanDerWaalsContact O-N 3.15Å
57S41Very low50.5Low107 Ų107129.2 Ų129.275%0.74874%0.743SS**  trans-64.799.4165.8410000108.7F55F55-S57 PolarHBondContact O-N 2.81Å; F55-S57 VanDerWaalsContact O-N 3.11Å
58D49.2Very low50.4Low157 Ų157125.3 Ų125.384%0.8475%0.745SS**  trans-73.2130.7168.6-166.4-100.3000109.4C56C56-D58 PolarHBondContact O-N 2.96Å; C56-D58 VanDerWaalsContact O-N 3.15Å
59S44.8Very low50.8Low99 Ų99126.1 Ų126.169%0.69275%0.749SS**  trans-104.1125.9-166.2-58.80000109.8
60S55.6Low50.9Low107 Ų107126.4 Ų126.475%0.74876%0.758SS**  trans173.5144.4148.259.10000107.3
61Q53.7Low51.5Low166 Ų166124 Ų12478%0.77677%0.765SS**  cis-177.7115.8-4.6162.6174.7-8.200104.4
62D54.9Low51.9Low156 Ų156126 Ų12683%0.83477%0.771SS**  trans-161.3120.7153.244.2-72.6000110.1
63D57.2Low52.1Low139 Ų139127.6 Ų127.674%0.74378%0.776SS**  trans-56.1135168.3-63.4-95.9000110.9
64I58.1Low52.2Low169 Ų169132 Ų13287%0.86779%0.794SS**  trans176.7116.2132-86.2148.2000106.3
65G52.8Low52.2Low74 Ų74138.5 Ų138.576%0.76381%0.805SS**  trans-67.7157.2-177.800000113.5
66N49Very low52.7Low162 Ų162136.5 Ų136.587%0.86680%0.802SS**  -170.9142.8120.7-158.8-10.8000108.7
67A49.4Very low53.3Low95 Ų95138.8 Ų138.879%0.78581%0.806SS**  trans-62.2148.2176.500000112.5
68G53.1Low54Low74 Ų74141.6 Ų141.676%0.76380%0.804SS**  trans159.489.616600000114.1
69Q61.1Low54.1Low188 Ų188140.5 Ų140.588%0.87980%0.803SS**  trans8.5133.5158.6-54-139-81.100120.2
70P49.8Very low54.2Low135 Ų135139 Ų13988%0.87780%0.804SS**  trans-81.2128.116933-29.6000111
71A59.8Low53.7Low79 Ų79140 Ų14065%0.65381%0.81SS**  trans-115.1145.7161.700000109V73A71-V73 PolarHBondContact O-N 3.32Å
72P56.6Low53.3Low132 Ų132139.6 Ų139.686%0.85781%0.807SS**  trans-81.4117.4-171.732.4-30.8000109.7
73V54.3Low52.9Low137 Ų137139.3 Ų139.383%0.8380%0.801SS**  trans-124.8137171-71.60000111.3A71A71-V73 PolarHBondContact O-N 3.32Å
74Q54.4Low52.2Low186 Ų186138.3 Ų138.387%0.86981%0.805SS**  trans-59.8145.7-168.8-73123.217.700113.3L76Q74-L76 PolarHBondContact O-N 3.31Å
75R51.4Low51.7Low241 Ų241134.7 Ų134.791%0.90980%0.8SS**  trans-39.1103.2174.4-126.6172.1179.8157.1-1.5111.8
76L58.5Low51.4Low150 Ų150138.5 Ų138.579%0.78580%0.803SS**  trans-106105.5162.5-174.164.4000107.3Q74 K78Q74-L76 PolarHBondContact O-N 3.31Å; L76-K78 PolarHBondContact O-N 3.11Å
77I55Low51.5Low162 Ų162137.1 Ų137.183%0.83181%0.805SS**  trans-77.8105176.2-41.4168.9000106.1
78K54.4Low51.7Low165 Ų165139.2 Ų139.272%0.71780%0.802SS**  trans-136.6152.5174.3-168.1160.4-177.7168.80109.6L76L76-K78 PolarHBondContact O-N 3.11Å
79T51.5Low51.4Low134 Ų134143.7 Ų143.782%0.82281%0.805SS**  trans82.3119.1175.969.80000113.3
80G48.3Very low51Low69 Ų69142 Ų14271%0.71180%0.801SS**  cis99.111513.700000110.8
81C43.7Very low50.9Low128 Ų128141 Ų14187%0.86579%0.794SS**  trans58.9157.9163.9-87.10000115.8
82H46.4Very low50.3Low156 Ų156141.8 Ų141.872%0.72280%0.795SS**  cis-156.8177.68.7-153.2-140.7000108.4
83Q46.4Very low50.1Low150 Ų150143.6 Ų143.670%0.70180%0.797SS**  trans-66.2159.7-176.1-62.6158.856.100114.5
84S42.4Very low50Low119 Ų119145 Ų14583%0.83280%0.795SS**  trans61.3116.9156.865.40000118.8
85A48.4Very low49.9Very low92 Ų92144.6 Ų144.676%0.7680%0.795SS**  -171.4131.1118.200000108.8
86D46.1Very low49.9Very low155 Ų155137.5 Ų137.583%0.82979%0.788SS**  trans-39.2134.6160.3-57.6-91.2000112
87C49.8Very low49.3Very low133 Ų133138.5 Ų138.590%0.89979%0.793SS**  trans-155.5107.6144.9-103.10000109.6
88L53.8Low49.3Very low139 Ų139138.6 Ų138.673%0.72879%0.793SS**  trans-49.9145.6163.8-57.5166.4000110.6
89M48Very low49.9Very low167 Ų167136.5 Ų136.582%0.82379%0.794SS**  -179.7132.8104.6-86.6-57.5160.100111
90L52.4Low50Low153 Ų153135.5 Ų135.580%0.80179%0.79SS**  trans-63.7-170.6172.4-69120.5000111.4
91P48Very low50.9Low113 Ų113138.5 Ų138.573%0.73479%0.794SS**  cis-148.9-172.314.736.3-10.7000117.4
92S46Very low51.2Low97 Ų97137 Ų13768%0.67879%0.785SS**  trans109.691.5161.3-56.40000115.7
93L52Low51.1Low170 Ų170136 Ų13689%0.8979%0.785SS**  -174.192.7117-110.9103.3000108.9
94E52.2Low51.2Low167 Ų167136.2 Ų136.278%0.7879%0.786SS**  trans-66.8131.8161.848.5-160.883.600110.5
95M52.5Low51.5Low177 Ų177136.2 Ų136.287%0.87278%0.781SS**  trans176.798.8151-94133.2-155.400110.9
96A51.2Low52.1Low92 Ų92141.3 Ų141.376%0.7679%0.786SS**  trans168.482.5138.300000111.1
97L46.1Very low52.3Low170 Ų170139 Ų13989%0.8978%0.782SS**  trans27.5110.4136.4-47.8178.8000118.6
98I56.8Low52.6Low165 Ų165138.3 Ų138.385%0.84678%0.779SS**  trans-124.7114152.3-59.7171.9000106.7
99V66.2Low53.2Low121 Ų121141.5 Ų141.573%0.73378%0.781SS**  trans-91.6126.7175.7-169.50000108.9V101V99-V101 HydrophobicContact CG1-CG2 4.27Å
100P54.1Low53.8Low112 Ų112140.9 Ų140.973%0.72778%0.781SS**  trans-95.5130.5166.233.4-25.7000110
101V65.7Low53.8Low133 Ų133138.3 Ų138.381%0.80678%0.782SS**  trans-124.5111.1165.9174.60000108.5V99V99-V101 HydrophobicContact CG1-CG2 4.27Å
102S51.5Low54.2Low96 Ų96137.1 Ų137.167%0.67178%0.781SS**  trans-110.9144.7168.6-58.90000108.1
103N43.3Very low55Low135 Ų135138.4 Ų138.472%0.72279%0.785SS**  trans56.7135.8167.573.925.7000116.3
104E49.6Very low55.3Low155 Ų155136 Ų13672%0.72478%0.778SS**  -159.1148.480.9-70.8-72.165.300112
105T48.3Very low55.6Low118 Ų118132 Ų13272%0.72477%0.768SS**  trans-70.9148.8174.435.60000113.2
106K60.2Low55.5Low199 Ų199133.3 Ų133.387%0.86577%0.77SS**  trans167.394.1150.4-87.6148.5-161.4-177.90108
107S51.1Low55.8Low107 Ų107132.3 Ų132.375%0.74877%0.768SS**  49.698.988.3-161.70000114.7
108S56.5Low56.3Low118 Ų118136.6 Ų136.683%0.82577%0.772SS**  -167147.9124-152.90000111.9
109R65.9Low56.2Low206 Ų206132.4 Ų132.478%0.77777%0.769SS**  trans-95.1169.9-164.1-61.5168.5-125170.50.4110.9
110N60.8Low55.8Low154 Ų154133.1 Ų133.182%0.82477%0.774SS**  159.7101130-69.7-18000107.2
111A52.1Low55.7Low100 Ų100132.6 Ų132.683%0.82677%0.773SS**  75.7108.873.100000113.8
112A55.3Low55.1Low87 Ų87133.2 Ų133.272%0.71978%0.777SS**  trans158.9107.7131.800000109.6
113T62.8Low55.2Low124 Ų124132 Ų13276%0.76178%0.78SS**  91.1124.4101.2-470000108.8
114T59Low56Low121 Ų121130.3 Ų130.374%0.74278%0.784SS**  cis-16715848.5-26.70000110
115S58.6Low56Low82 Ų82129 Ų12957%0.57379%0.789SS**  trans-66.2-178.2-173.148.90000118.1
116F51.2Low55.6Low205 Ų205129.2 Ų129.290%0.89979%0.794SS**  trans101.2109.8167.7-55.3-71.5000114
117G55.9Low55.2Low70 Ų70126.7 Ų126.772%0.72280%0.795SS**  cis176.6164.5-1.700000111.7
118R56.9Low55Low261 Ų261129.1 Ų129.199%0.98580%0.8SS**  trans77.1119.2161-63.9179.7173.9-170.1-2.4119.1
119G54.9Low54.7Low76 Ų76126.5 Ų126.578%0.78479%0.791SS**  trans14252.6141.300000120.7
120V57.1Low53.8Low137 Ų137121.8 Ų121.883%0.8379%0.789SS**  trans31.6110.5143.6177.70000121.1
121S52.4Low53.8Low101 Ų101120.3 Ų120.371%0.70678%0.781SS**  trans29.5125.2140.564.90000121.9
122V54.4Low54.1Low146 Ų146120.6 Ų120.689%0.88577%0.769SS**  -165.5129.499.7175.90000108.5
123G52.9Low54.5Low71 Ų71124 Ų12473%0.73278%0.775SS**  trans104.6108147.100000119.3
124A59.1Low54.7Low99 Ų99123.7 Ų123.782%0.81877%0.769SS**  trans77.1129.8146.500000120.3
125P51Low55.6Low127 Ų127122.6 Ų122.683%0.82576%0.755SS**  trans-79.4140.7-177.833.3-33.9000112.6
126C39Very low56.8Low122 Ų122121.7 Ų121.782%0.82474%0.743SS**  trans-62.5137.716833.90000112.3
127V51.5Low58.6Low147 Ų147119 Ų11989%0.89173%0.731SS**  trans-121.2125.2146.2-69.50000108.5
128D47.8Very low60.2Low158 Ų158116 Ų11685%0.84570%0.699SS**  trans-60.2144.4-174.1-177.8-104.2000113
129G49.8Very low61.7Low62 Ų62114.1 Ų114.164%0.63969%0.692SS**  trans-174.559.2-179.100000109.5L131G129-L131 PolarHBondContact O-N 3.22Å
130S46.4Very low63.2Low107 Ų107117.1 Ų117.175%0.74868%0.681SS**  trans-55.696.2172-157.80000109.7
131L60.9Low64.7Low124 Ų124112.3 Ų112.365%0.64965%0.653SS**  trans-121.6118.1165.7-82.7163.5000105.8G129 N133G129-L131 PolarHBondContact O-N 3.22Å; L131-N133 PolarHBondContact O-N 3.48Å
132N60Low66.2Low105 Ų105113.5 Ų113.556%0.56166%0.661SS**  trans-41.3132.7-175.3-46.1-51000111.1N134 E135N132-N134 PolarHBondContact O-N 3.35Å; N132-E135 PolarHBondContact ND2-OE2 3.05Å; N132-E135 PolarHBondContact O-N 3.05Å
133N62.7Low67.7Low160 Ų160112.4 Ų112.486%0.85664%0.644SS**THydrogen-bonded Turntrans-60.57-169.8-164.4-103.5000115.8L131L131-N133 PolarHBondContact O-N 3.48Å
134N67.9Low69.3Low117 Ų117113 Ų11363%0.62663%0.634SS**THydrogen-bonded Turntrans-123.65.2-175.5-60.2-43.4000114N132 M146N132-N134 PolarHBondContact O-N 3.35Å; N134-M146 CarbonylContact O-C 3.6Å; N134-M146 WeakPolarHBondContact O-CA 3.38Å
135E76.3Confident70.8Confident97 Ų97110 Ų11045%0.45360%0.602SS.*  trans-109.3110.6-177.4-67.7-178.592.700111.8N132 V144N132-E135 PolarHBondContact ND2-OE2 3.05Å; N132-E135 PolarHBondContact O-N 3.05Å; E135-V144 HydrophobicContact CB-CG1 3.89Å; E135-V144 HydrophobicContact CG-CG1 4.33Å
136L85.6Confident72.3Confident64 Ų64112.1 Ų112.134%0.33560%0.603SS.*EExtended strand (participates in β ladder)trans-110.7101.9-176.5-60.3170.4000110F145 A147 K148 L151L136-F145 WeakPolarHBondContact CA-O 3.49Å; L136-F145 HydrophobicContact CB-CB 4.47Å; L136-F145 WeakPolarHBondContact CB-O 3.23Å; L136-F145 PolarHBondContact N-O 3.34Å; L136-F145 WeakPolarHBondContact O-CB 3.39Å; L136-F145 WeakPolarHBondContact O-CD2 3.41Å; L136-F145 PolarHBondContact O-N 3.26Å; L136-A147 VanDerWaalsContact CD1-C 3.47Å; L136-K148 HydrophobicContact CD1-CB 3.6Å; L136-K148 HydrophobicContact CD1-CG 4.33Å; L136-L151 HydrophobicContact CB-CB 4.41Å; L136-L151 HydrophobicContact CB-CD1 3.99Å; L136-L151 WeakPolarHBondContact O-CD1 3.49Å
137K88.4Confident74.6Confident148 Ų148107.8 Ų107.864%0.64358%0.576SS**EExtended strand (participates in β ladder)trans-80.9139.217767.3-178179.9-177.60112.2K143 V144 L151K137-K143 CarbonylContact C-O 3.59Å; K137-K143 WeakPolarHBondContact CA-O 3.26Å; K137-V144 HydrophobicContact CB-CG2 4.22Å; K137-L151 WeakPolarHBondContact O-CD1 3.42Å
138C90Very high76.3Confident7 Ų7108.6 Ų108.65%0.04757%0.568CS.*  trans-64.7145.2171-176.50000110.8Y140 C141 K143 F145 H154 H159C138-Y140 PolarHBondContact SG-N 3.45Å; C138-C141 CarbonylContact C-O 3.54Å; C138-C141 WeakPolarHBondContact CB-O 3.42Å; C138-K143 PolarHBondContact N-O 3.05Å; C138-F145 HydrophobicContact CB-CE2 4.23Å; C138-H154 VanDerWaalsContact CB-CD2 3.47Å; C138-H154 WeakPolarHBondContact CB-CD2 3.47Å; C138-H154 VanDerWaalsContact CB-NE2 3.28Å; C138-H154 WeakPolarHBondContact CB-NE2 3.36Å; C138-H154 PolarHBondContact SG-CD2 3.5Å; C138-H154 PolarHBondContact SG-NE2 2.95Å; C138-H159 PolarHBondContact SG-CD2 3.28Å; C138-H159 PolarHBondContact SG-NE2 3.31Å
139R87.3Confident78.3Confident222 Ų222109.4 Ų109.484%0.83856%0.559SS**SBendtrans-77.5-22176.4-60.6-164.773-169.82.4114.1
140Y86.7Confident80.2Confident138 Ų138111.9 Ų111.954%0.54155%0.55SS..SBendtrans-109.3-6.1-172.5-56.9-78.5000112.9C138 H159C138-Y140 PolarHBondContact SG-N 3.45Å; Y140-H159 WeakPolarHBondContact CB-CE1 3.48Å; Y140-H159 WeakPolarHBondContact CB-ND1 3.46Å; Y140-H159 HydrophobicContact CD2-CB 3.44Å; Y140-H159 VanDerWaalsContact CD2-CB 3.44Å; Y140-H159 AromaticContact CD2-CD2 3.96Å; Y140-H159 AromaticContact CD2-CG 3.64Å; Y140-H159 HydrophobicContact CE2-CB 4.03Å; Y140-H159 HydrophobicContact CG-CB 3.74Å; Y140-H159 AromaticContact CG-CG 3.66Å; Y140-H159 AromaticContact CG-ND1 3.93Å; Y140-H159 PolarHBondContact O-CE1 2.86Å
141C88.1Confident82.2Confident37 Ų37107.9 Ų107.925%0.2552%0.52CS..SBendtrans-153.8164.5170.473.80000110.8C138 K143 H154 H159C138-C141 CarbonylContact C-O 3.54Å; C138-C141 WeakPolarHBondContact CB-O 3.42Å; C141-K143 PolarHBondContact O-N 3.08Å; C141-H154 PolarHBondContact SG-CE1 2.82Å; C141-H154 PolarHBondContact SG-NE2 3.24Å; C141-H159 PolarHBondContact SG-NE2 2.73Å; C141-H159 VanDerWaalsContact SG-NE2 3.45Å
142S84Confident83.5Confident126 Ų126109 Ų10988%0.88152%0.52SS*.SBendtrans-76.616.6-177.3-46.80000114.7
143K86.6Confident84.9Confident122 Ų122111 Ų11153%0.5352%0.523SS..  trans-78.1132.3179.6-67.9180-170.9-760110.8K137 C138 C141 F145K137-K143 CarbonylContact C-O 3.59Å; K137-K143 WeakPolarHBondContact CA-O 3.26Å; C138-K143 PolarHBondContact N-O 3.05Å; C141-K143 PolarHBondContact O-N 3.08Å; K143-F145 HydrophobicContact CB-CE2 3.67Å; K143-F145 HydrophobicContact CB-CZ 3.9Å; K143-F145 HydrophobicContact CD-CZ 4.4Å
144V87.1Confident86.1Confident83 Ų83104 Ų10450%0.50349%0.486SS..EExtended strand (participates in β ladder)trans-104.8140.7177-174.70000110E135 K137E135-V144 HydrophobicContact CB-CG1 3.89Å; E135-V144 HydrophobicContact CG-CG1 4.33Å; K137-V144 HydrophobicContact CB-CG2 4.22Å
145F89.2Confident87.1Confident36 Ų36100.8 Ų100.816%0.15847%0.467CS..EExtended strand (participates in β ladder)trans-127.2138-176.5-63.6-88.6000110.9L136 C138 K143 A147 L151 H154L136-F145 WeakPolarHBondContact CA-O 3.49Å; L136-F145 HydrophobicContact CB-CB 4.47Å; L136-F145 WeakPolarHBondContact CB-O 3.23Å; L136-F145 PolarHBondContact N-O 3.34Å; L136-F145 WeakPolarHBondContact O-CB 3.39Å; L136-F145 WeakPolarHBondContact O-CD2 3.41Å; L136-F145 PolarHBondContact O-N 3.26Å; C138-F145 HydrophobicContact CB-CE2 4.23Å; K143-F145 HydrophobicContact CB-CE2 3.67Å; K143-F145 HydrophobicContact CB-CZ 3.9Å; K143-F145 HydrophobicContact CD-CZ 4.4Å; F145-A147 VanDerWaalsContact C-N 3.29Å; F145-A147 PolarHBondContact O-N 3.49Å; F145-L151 HydrophobicContact CB-CB 4.05Å; F145-L151 HydrophobicContact CD2-CB 3.98Å; F145-L151 HydrophobicContact CD2-CD1 4Å; F145-L151 HydrophobicContact CD2-CG 4.37Å; F145-L151 HydrophobicContact CG-CB 4.05Å; F145-H154 HydrophobicContact CE1-CB 3.67Å; F145-H154 HydrophobicContact CE2-CB 3.86Å; F145-H154 AromaticContact CE2-CD2 3.32Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.25Å; F145-H154 AromaticContact CE2-CG 3.53Å; F145-H154 AromaticContact CE2-NE2 3.96Å; F145-H154 HydrophobicContact CZ-CB 3.26Å; F145-H154 AromaticContact CZ-CD2 3.45Å; F145-H154 VanDerWaalsContact CZ-CD2 3.45Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.37Å; F145-H154 AromaticContact CZ-CG 3.11Å; F145-H154 AromaticContact CZ-ND1 3.63Å
146M84Confident87.5Confident173 Ų17399.2 Ų99.285%0.85247%0.466SS*.SBendtrans-80.6-6.3-179.9-56.8179.3108.100113.8N134N134-M146 CarbonylContact O-C 3.6Å; N134-M146 WeakPolarHBondContact O-CA 3.38Å
147A86.3Confident87.5Confident31 Ų31100.1 Ų100.126%0.25648%0.475SS..SBendtrans-153.4144.9177.100000112.7L136 F145 R149 Y150 L151L136-A147 VanDerWaalsContact CD1-C 3.47Å; F145-A147 VanDerWaalsContact C-N 3.29Å; F145-A147 PolarHBondContact O-N 3.49Å; A147-R149 HydrophobicContact CB-CG 4.22Å; A147-R149 PolarHBondContact O-N 2.93Å; A147-R149 VanDerWaalsContact O-N 3.17Å; A147-Y150 HydrophobicContact CB-CD2 3.83Å; A147-Y150 HydrophobicContact CB-CE2 4.27Å; A147-Y150 PolarHBondContact O-N 2.79Å; A147-L151 PolarHBondContact O-N 3.09Å
148K87Confident87.2Confident163 Ų16399.1 Ų99.171%0.70947%0.472SS*.Hα-helixtrans-60.1-31.9-174-167.3172.2-177173.40113.1L136 Y150 L151 K152L136-K148 HydrophobicContact CD1-CB 3.6Å; L136-K148 HydrophobicContact CD1-CG 4.33Å; K148-Y150 VanDerWaalsContact C-N 3.28Å; K148-Y150 PolarHBondContact O-N 2.88Å; K148-L151 PolarHBondContact O-N 2.99Å; K148-K152 WeakPolarHBondContact O-CB 3.27Å; K148-K152 PolarHBondContact O-N 3.23Å
149R90.1Very high86.9Confident175 Ų175101.2 Ų101.266%0.6648%0.481SS*.Hα-helixtrans-59.1-38.2174.973-176.3-174.6-152.71112.6A147 K153A147-R149 HydrophobicContact CB-CG 4.22Å; A147-R149 PolarHBondContact O-N 2.93Å; A147-R149 VanDerWaalsContact O-N 3.17Å; R149-K153 PolarHBondContact O-N 3.36Å
150Y89.9Confident86.1Confident115 Ų11596.8 Ų96.845%0.45147%0.468SS..Hα-helixtrans-79.5-40.4-177.9-64.8-62.2000111.3A147 K148 K152 K153 H154A147-Y150 HydrophobicContact CB-CD2 3.83Å; A147-Y150 HydrophobicContact CB-CE2 4.27Å; A147-Y150 PolarHBondContact O-N 2.79Å; K148-Y150 VanDerWaalsContact C-N 3.28Å; K148-Y150 PolarHBondContact O-N 2.88Å; Y150-K152 PolarHBondContact O-N 3.44Å; Y150-K153 PolarHBondContact O-N 3.24Å; Y150-H154 VanDerWaalsContact O-CB 3.31Å; Y150-H154 WeakPolarHBondContact O-CB 3.42Å; Y150-H154 PolarHBondContact O-N 3.4Å
151L88.6Confident84.7Confident22 Ų2294.7 Ų94.712%0.11548%0.479CS..Hα-helixtrans-57.5-48.2171.7177.3123.6000111.1L136 K137 F145 A147 K148 K153 H154 E155L136-L151 HydrophobicContact CB-CB 4.41Å; L136-L151 HydrophobicContact CB-CD1 3.99Å; L136-L151 WeakPolarHBondContact O-CD1 3.49Å; K137-L151 WeakPolarHBondContact O-CD1 3.42Å; F145-L151 HydrophobicContact CB-CB 4.05Å; F145-L151 HydrophobicContact CD2-CB 3.98Å; F145-L151 HydrophobicContact CD2-CD1 4Å; F145-L151 HydrophobicContact CD2-CG 4.37Å; F145-L151 HydrophobicContact CG-CB 4.05Å; A147-L151 PolarHBondContact O-N 3.09Å; K148-L151 PolarHBondContact O-N 2.99Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.37Å; L151-H154 CarbonylContact O-C 3.57Å; L151-H154 WeakPolarHBondContact O-CA 3.33Å; L151-H154 WeakPolarHBondContact O-CB 3.45Å; L151-H154 PolarHBondContact O-N 3.05Å; L151-H154 VanDerWaalsContact O-N 3.09Å; L151-E155 WeakPolarHBondContact CD2-OE2 3.49Å; L151-E155 HydrophobicContact CG-CG 4.37Å; L151-E155 WeakPolarHBondContact O-CG 3.02Å; L151-E155 PolarHBondContact O-N 2.83Å
152K88Confident83.2Confident148 Ų148101.5 Ų101.564%0.64350%0.504SS*.Hα-helixtrans-61.4-40.2178.7-169.7175.1-175.8177.20112.6K148 Y150 H154 S156K148-K152 WeakPolarHBondContact O-CB 3.27Å; K148-K152 PolarHBondContact O-N 3.23Å; Y150-K152 PolarHBondContact O-N 3.44Å; K152-H154 VanDerWaalsContact C-N 3.35Å; K152-S156 VanDerWaalsContact O-CB 3.23Å; K152-S156 WeakPolarHBondContact O-CB 3.38Å; K152-S156 PolarHBondContact O-N 2.79Å
153K88.4Confident81.5Confident147 Ų147102.1 Ų102.164%0.63949%0.493SS*.Hα-helixtrans-65.8-39.8174.7-172.6176.8-177.9-179.60111.1R149 Y150 L151 S156 T157R149-K153 PolarHBondContact O-N 3.36Å; Y150-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.37Å; K153-S156 PolarHBondContact O-N 3.19Å; K153-T157 HydrophobicContact CG-CG2 4.5Å; K153-T157 WeakPolarHBondContact O-CB 3.38Å; K153-T157 VanDerWaalsContact O-CG2 3.26Å; K153-T157 WeakPolarHBondContact O-CG2 3.12Å; K153-T157 PolarHBondContact O-N 3.08Å; K153-T157 PolarHBondContact O-OG1 2.73Å
154H88.9Confident79.5Confident14 Ų14102 Ų1027%0.06550%0.503CS..Hα-helixtrans-64.7-51.2176.4163.270.8000111.7C138 C141 F145 Y150 L151 K152 S156 T157 Q158 H159C138-H154 VanDerWaalsContact CB-CD2 3.47Å; C138-H154 WeakPolarHBondContact CB-CD2 3.47Å; C138-H154 VanDerWaalsContact CB-NE2 3.28Å; C138-H154 WeakPolarHBondContact CB-NE2 3.36Å; C138-H154 PolarHBondContact SG-CD2 3.5Å; C138-H154 PolarHBondContact SG-NE2 2.95Å; C141-H154 PolarHBondContact SG-CE1 2.82Å; C141-H154 PolarHBondContact SG-NE2 3.24Å; F145-H154 HydrophobicContact CE1-CB 3.67Å; F145-H154 HydrophobicContact CE2-CB 3.86Å; F145-H154 AromaticContact CE2-CD2 3.32Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.25Å; F145-H154 AromaticContact CE2-CG 3.53Å; F145-H154 AromaticContact CE2-NE2 3.96Å; F145-H154 HydrophobicContact CZ-CB 3.26Å; F145-H154 AromaticContact CZ-CD2 3.45Å; F145-H154 VanDerWaalsContact CZ-CD2 3.45Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.37Å; F145-H154 AromaticContact CZ-CG 3.11Å; F145-H154 AromaticContact CZ-ND1 3.63Å; Y150-H154 VanDerWaalsContact O-CB 3.31Å; Y150-H154 WeakPolarHBondContact O-CB 3.42Å; Y150-H154 PolarHBondContact O-N 3.4Å; L151-H154 CarbonylContact O-C 3.57Å; L151-H154 WeakPolarHBondContact O-CA 3.33Å; L151-H154 WeakPolarHBondContact O-CB 3.45Å; L151-H154 PolarHBondContact O-N 3.05Å; L151-H154 VanDerWaalsContact O-N 3.09Å; K152-H154 VanDerWaalsContact C-N 3.35Å; H154-S156 VanDerWaalsContact C-N 3.28Å; H154-S156 PolarHBondContact O-N 2.74Å; H154-T157 PolarHBondContact O-N 3.35Å; H154-T157 VanDerWaalsContact O-N 3.08Å; H154-T157 PolarHBondContact O-OG1 3.1Å; H154-Q158 VanDerWaalsContact ND1-CG 3.34Å; H154-Q158 WeakPolarHBondContact ND1-CG 3.44Å; H154-Q158 WeakPolarHBondContact O-CB 3.38Å; H154-Q158 PolarHBondContact O-N 3.07Å; H154-H159 AromaticContact CE1-CD2 3.88Å; H154-H159 AromaticContact CE1-NE2 3.42Å; H154-H159 PolarHBondContact CE1-NE2 2.92Å; H154-H159 AromaticContact NE2-CD2 3.47Å; H154-H159 PolarHBondContact NE2-CD2 3.27Å; H154-H159 AromaticContact NE2-NE2 3.17Å; H154-H159 PolarHBondContact NE2-NE2 3.22Å; H154-H159 VanDerWaalsContact NE2-NE2 3.17Å
155E88.2Confident77.5Confident49 Ų49105.7 Ų105.723%0.22952%0.515CS..Iπ-helixtrans-56-45.5174.6-70.5175.2157.400110.7L151 T157 H159 K160L151-E155 WeakPolarHBondContact CD2-OE2 3.49Å; L151-E155 HydrophobicContact CG-CG 4.37Å; L151-E155 WeakPolarHBondContact O-CG 3.02Å; L151-E155 PolarHBondContact O-N 2.83Å; E155-T157 VanDerWaalsContact C-N 3.27Å; E155-T157 PolarHBondContact O-N 3.07Å; E155-H159 CarbonylContact O-C 3.58Å; E155-H159 WeakPolarHBondContact O-CA 3.3Å; E155-H159 WeakPolarHBondContact O-CB 3.4Å; E155-H159 PolarHBondContact O-N 3.35Å; E155-K160 WeakPolarHBondContact O-CB 3.45Å; E155-K160 PolarHBondContact O-N 3.18Å
156S85.5Confident75.5Confident63 Ų63110.1 Ų110.144%0.44155%0.547SS..Iπ-helixtrans-64.8-24.3178.4-167.40000115.1K152 K153 H154 K160K152-S156 VanDerWaalsContact O-CB 3.23Å; K152-S156 WeakPolarHBondContact O-CB 3.38Å; K152-S156 PolarHBondContact O-N 2.79Å; K153-S156 PolarHBondContact O-N 3.19Å; H154-S156 VanDerWaalsContact C-N 3.28Å; H154-S156 PolarHBondContact O-N 2.74Å; S156-K160 WeakPolarHBondContact O-CB 3.49Å
157T84.8Confident73.5Confident84 Ų84104.8 Ų104.852%0.51554%0.536SS..Iπ-helixtrans-106.2-28.9-174.552.40000113.4K153 H154 E155K153-T157 HydrophobicContact CG-CG2 4.5Å; K153-T157 WeakPolarHBondContact O-CB 3.38Å; K153-T157 VanDerWaalsContact O-CG2 3.26Å; K153-T157 WeakPolarHBondContact O-CG2 3.12Å; K153-T157 PolarHBondContact O-N 3.08Å; K153-T157 PolarHBondContact O-OG1 2.73Å; H154-T157 PolarHBondContact O-N 3.35Å; H154-T157 VanDerWaalsContact O-N 3.08Å; H154-T157 PolarHBondContact O-OG1 3.1Å; E155-T157 VanDerWaalsContact C-N 3.27Å; E155-T157 PolarHBondContact O-N 3.07Å
158Q81.7Confident71.4Confident127 Ų127108.1 Ų108.159%0.59356%0.564SS**Iπ-helixtrans-104.7-26.9-176.4-58.1-58.2-43.300112.9H154H154-Q158 VanDerWaalsContact ND1-CG 3.34Å; H154-Q158 WeakPolarHBondContact ND1-CG 3.44Å; H154-Q158 WeakPolarHBondContact O-CB 3.38Å; H154-Q158 PolarHBondContact O-N 3.07Å
159H85Confident69.3Low50 Ų50106 Ų10623%0.23157%0.567CS.*Iπ-helixtrans-125.4-18.4-170.6-58.2-59.6000114.1C138 Y140 C141 H154 E155 A161C138-H159 PolarHBondContact SG-CD2 3.28Å; C138-H159 PolarHBondContact SG-NE2 3.31Å; Y140-H159 WeakPolarHBondContact CB-CE1 3.48Å; Y140-H159 WeakPolarHBondContact CB-ND1 3.46Å; Y140-H159 HydrophobicContact CD2-CB 3.44Å; Y140-H159 VanDerWaalsContact CD2-CB 3.44Å; Y140-H159 AromaticContact CD2-CD2 3.96Å; Y140-H159 AromaticContact CD2-CG 3.64Å; Y140-H159 HydrophobicContact CE2-CB 4.03Å; Y140-H159 HydrophobicContact CG-CB 3.74Å; Y140-H159 AromaticContact CG-CG 3.66Å; Y140-H159 AromaticContact CG-ND1 3.93Å; Y140-H159 PolarHBondContact O-CE1 2.86Å; C141-H159 PolarHBondContact SG-NE2 2.73Å; C141-H159 VanDerWaalsContact SG-NE2 3.45Å; H154-H159 AromaticContact CE1-CD2 3.88Å; H154-H159 AromaticContact CE1-NE2 3.42Å; H154-H159 PolarHBondContact CE1-NE2 2.92Å; H154-H159 AromaticContact NE2-CD2 3.47Å; H154-H159 PolarHBondContact NE2-CD2 3.27Å; H154-H159 AromaticContact NE2-NE2 3.17Å; H154-H159 PolarHBondContact NE2-NE2 3.22Å; H154-H159 VanDerWaalsContact NE2-NE2 3.17Å; E155-H159 CarbonylContact O-C 3.58Å; E155-H159 WeakPolarHBondContact O-CA 3.3Å; E155-H159 WeakPolarHBondContact O-CB 3.4Å; E155-H159 PolarHBondContact O-N 3.35Å; H159-A161 PolarHBondContact O-N 3.13Å
160K69.3Low66.9Low130 Ų130106.9 Ų106.957%0.56558%0.578SS**  trans-83.849.4-176.8-151.5170.4-173.6-175.50112.9E155 S156 K162E155-K160 WeakPolarHBondContact O-CB 3.45Å; E155-K160 PolarHBondContact O-N 3.18Å; S156-K160 WeakPolarHBondContact O-CB 3.49Å; K160-K162 PolarHBondContact O-N 2.89Å
161A58.7Low64.4Low93 Ų93109.7 Ų109.777%0.76959%0.589SS**SBendtrans-88.484.8157.300000108.1H159H159-A161 PolarHBondContact O-N 3.13Å
162K56.6Low61.8Low180 Ų180113.5 Ų113.578%0.78362%0.618SS**  trans68.391.3164.6-60.2177.9177.4-178.60117.6K160 V164K160-K162 PolarHBondContact O-N 2.89Å; K162-V164 HydrophobicContact CB-CG2 4.27Å; K162-V164 PolarHBondContact O-N 2.76Å
163E48.2Very low60Low139 Ų139116.5 Ų116.565%0.6563%0.625SS**  trans-76.4109.3145.9-65.2171.3-177.200106.4
164V45.1Very low58.2Low121 Ų121118.3 Ų118.373%0.73363%0.633SS**  trans-92.198.3171.21760000106.1K162K162-V164 HydrophobicContact CB-CG2 4.27Å; K162-V164 PolarHBondContact O-N 2.76Å
165E44.6Very low56.2Low160 Ų160124.6 Ų124.675%0.74867%0.665SS**  trans-69.7127.3166.1-77.6-70.5111.900108.8G167E165-G167 PolarHBondContact O-N 2.69Å; E165-G167 VanDerWaalsContact O-N 3.08Å
166P46.7Very low54.5Low128 Ų128125.6 Ų125.683%0.83167%0.671SS**SBendtrans-80.689.3178.831.4-29.9000109.5
167G42.1Very low53.4Low62 Ų62128.6 Ų128.664%0.63969%0.692SS**SBendtrans155.5117.717100000113.2E165E165-G167 PolarHBondContact O-N 2.69Å; E165-G167 VanDerWaalsContact O-N 3.08Å
168A42.2Very low53Low101 Ų101133.3 Ų133.384%0.83570%0.701SS**SBendtrans88.1150.1177.500000116.9
169P42.7Very low53Low119 Ų119130.6 Ų130.677%0.77369%0.69SS**  -70.9138.4-106.510.58.4000113.8Y171P169-Y171 PolarHBondContact O-N 3.34Å
170Q38.8Very low53Low192 Ų192130.7 Ų130.790%0.89769%0.694SS**  trans-55.991.5172.2-65-178.5-21.400111.4S172Q170-S172 VanDerWaalsContact C-N 3.35Å; Q170-S172 PolarHBondContact O-N 3.35Å; Q170-S172 VanDerWaalsContact O-N 3.12Å
171Y38.5Very low53.9Low174 Ų174127.2 Ų127.268%0.68269%0.689SS**  trans-77.897.8158.483.3-89.5000107P169 R173P169-Y171 PolarHBondContact O-N 3.34Å; Y171-R173 HydrophobicContact CD2-CB 4.12Å; Y171-R173 HydrophobicContact CD2-CG 3.78Å; Y171-R173 HydrophobicContact CE2-CB 3.96Å; Y171-R173 HydrophobicContact CE2-CG 3.86Å; Y171-R173 PolarHBondContact O-N 3.08Å
172S34.4Very low55.4Low103 Ų103123.2 Ų123.272%0.7266%0.656SS**  trans-65.375.4173.843.40000110.5Q170 K174Q170-S172 VanDerWaalsContact C-N 3.35Å; Q170-S172 PolarHBondContact O-N 3.35Å; Q170-S172 VanDerWaalsContact O-N 3.12Å; S172-K174 VanDerWaalsContact C-N 3.27Å; S172-K174 PolarHBondContact O-N 3.22Å
173R48.9Very low56.8Low210 Ų210120 Ų12079%0.79265%0.653SS**  trans-82.287.5162.1-84.1-176.1-157.3162.82.8108.2Y171 M175Y171-R173 HydrophobicContact CD2-CB 4.12Å; Y171-R173 HydrophobicContact CD2-CG 3.78Å; Y171-R173 HydrophobicContact CE2-CB 3.96Å; Y171-R173 HydrophobicContact CE2-CG 3.86Å; Y171-R173 PolarHBondContact O-N 3.08Å; R173-M175 PolarHBondContact O-N 3Å; R173-M175 VanDerWaalsContact O-N 3.1Å
174K51.1Low58.7Low186 Ų186118.3 Ų118.381%0.80965%0.648SS**  trans-28.3117.4153.4-60-179180-175.20107.1S172 D176S172-K174 VanDerWaalsContact C-N 3.27Å; S172-K174 PolarHBondContact O-N 3.22Å; K174-D176 PolarHBondContact O-N 3.43Å
175M48Very low60.8Low146 Ų146113.9 Ų113.972%0.71962%0.622SS**  trans-61.593.4174-164-175.4-175.700105.3R173 S177 M188R173-M175 PolarHBondContact O-N 3Å; R173-M175 VanDerWaalsContact O-N 3.1Å; M175-S177 PolarHBondContact O-N 3.29Å; M175-S177 VanDerWaalsContact O-N 3.07Å; M175-M188 HydrophobicContact CE-CE 4.1Å; M175-M188 HydrophobicContact CE-SD 4.25Å
176D51Low62.7Low69 Ų69112.9 Ų112.937%0.36963%0.63SS.*  trans-66.3114.6-171-168.5-71.3000106.1K174 R178 L179K174-D176 PolarHBondContact O-N 3.43Å; D176-R178 PolarHBondContact O-N 3.34Å; D176-R178 VanDerWaalsContact OD1-CB 3.22Å; D176-R178 WeakPolarHBondContact OD1-CB 3.33Å; D176-R178 WeakPolarHBondContact OD1-CG 3.35Å; D176-R178 IonicContact OD1-CZ 3.54Å; D176-R178 PolarHBondContact OD1-N 2.97Å; D176-R178 IonicContact OD1-NE 2.74Å; D176-R178 PolarHBondContact OD1-NE 3.43Å; D176-R178 IonicContact OD1-NH2 3.48Å; D176-R178 PolarHBondContact OD1-NH2 2.79Å; D176-R178 IonicContact OD2-CZ 3.64Å; D176-R178 IonicContact OD2-NE 3.61Å; D176-R178 IonicContact OD2-NH2 2.8Å; D176-R178 PolarHBondContact OD2-NH2 3.48Å; D176-L179 PolarHBondContact O-N 3.08Å
177S63.1Low64.7Low126 Ų126112.7 Ų112.788%0.88162%0.616SS**THydrogen-bonded Turntrans-59.18.1-175.9-48.50000114.3M175M175-S177 PolarHBondContact O-N 3.29Å; M175-S177 VanDerWaalsContact O-N 3.07Å
178R76.4Confident66.9Low184 Ų184114.3 Ų114.369%0.69461%0.608SS**THydrogen-bonded Turntrans-1005.1176.5-60.6177.2-80.6-160.2-6.2113.9D176D176-R178 PolarHBondContact O-N 3.34Å; D176-R178 VanDerWaalsContact OD1-CB 3.22Å; D176-R178 WeakPolarHBondContact OD1-CB 3.33Å; D176-R178 WeakPolarHBondContact OD1-CG 3.35Å; D176-R178 IonicContact OD1-CZ 3.54Å; D176-R178 PolarHBondContact OD1-N 2.97Å; D176-R178 IonicContact OD1-NE 2.74Å; D176-R178 PolarHBondContact OD1-NE 3.43Å; D176-R178 IonicContact OD1-NH2 3.48Å; D176-R178 PolarHBondContact OD1-NH2 2.79Å; D176-R178 IonicContact OD2-CZ 3.64Å; D176-R178 IonicContact OD2-NE 3.61Å; D176-R178 IonicContact OD2-NH2 2.8Å; D176-R178 PolarHBondContact OD2-NH2 3.48Å
179L82.6Confident69.2Low70 Ų70111.2 Ų111.237%0.36658%0.576SS.*  trans-71.8129.6171.9-69.9168.3000110.9D176 M188 F189D176-L179 PolarHBondContact O-N 3.08Å; L179-M188 HydrophobicContact CB-CE 4Å; L179-F189 CarbonylContact C-O 3.28Å; L179-F189 WeakPolarHBondContact CA-O 3.22Å
180V84.8Confident71.4Confident51 Ų51109.2 Ų109.231%0.30956%0.564SS.*EExtended strand (participates in β ladder)trans-104.5125.7179-161.40000109.6F189 V192 L195V180-F189 PolarHBondContact N-O 2.89Å; V180-F189 PolarHBondContact O-N 2.61Å; V180-V192 HydrophobicContact CG2-CG2 4.08Å; V180-L195 HydrophobicContact CB-CD2 4.07Å; V180-L195 HydrophobicContact CG1-CD2 3.43Å; V180-L195 VanDerWaalsContact CG1-CD2 3.43Å
181A88.4Confident73.7Confident58 Ų58103.7 Ų103.748%0.47954%0.544SS..EExtended strand (participates in β ladder)trans-85.3151.3-179.300000112.4M188A181-M188 HydrophobicContact CB-CG 4.43Å
182C89.4Confident76.1Confident9 Ų999.1 Ų99.16%0.06153%0.534CS..  trans-83133.4170.7-178.90000111.1L184 K187 F189 L195 H198C182-L184 VanDerWaalsContact C-N 3.25Å; C182-L184 PolarHBondContact O-N 3.39Å; C182-L184 PolarHBondContact SG-N 3.29Å; C182-L184 VanDerWaalsContact SG-N 3.42Å; C182-K187 PolarHBondContact N-O 3.46Å; C182-F189 HydrophobicContact CB-CE2 4.17Å; C182-L195 HydrophobicContact CB-CD1 3.72Å; C182-H198 PolarHBondContact SG-CD2 3.4Å; C182-H198 PolarHBondContact SG-NE2 2.86Å
183P85.9Confident78.7Confident113 Ų113102.2 Ų102.273%0.73453%0.534SS*.THydrogen-bonded Turntrans-73.5-15.8177.929.1-34.4000113.5
184L87.4Confident80.7Confident103 Ų10395.9 Ų95.954%0.53952%0.516SS..THydrogen-bonded Turntrans-100.2-11.1-176.5-57.9176000113.2C182 V199 H202C182-L184 VanDerWaalsContact C-N 3.25Å; C182-L184 PolarHBondContact O-N 3.39Å; C182-L184 PolarHBondContact SG-N 3.29Å; C182-L184 VanDerWaalsContact SG-N 3.42Å; L184-V199 HydrophobicContact CD1-CG1 4.49Å; L184-H202 HydrophobicContact CD1-CB 3.46Å; L184-H202 VanDerWaalsContact CD1-CB 3.46Å
185C89.1Confident82.6Confident28 Ų2888 Ų8819%0.18948%0.482CS..SBendtrans-161.3160.7179.778.70000111.8K187 H198 H202C185-K187 PolarHBondContact O-N 3.2Å; C185-H198 PolarHBondContact SG-CE1 2.97Å; C185-H198 PolarHBondContact SG-NE2 2.79Å; C185-H202 PolarHBondContact SG-NE2 2.75Å; C185-H202 VanDerWaalsContact SG-NE2 3.37Å
186P86.1Confident84.6Confident139 Ų13988.3 Ų88.390%0.90348%0.48SS*.SBendtrans-72.118.3-175.629.6-36.8000115.3
187K87.3Confident86.5Confident124 Ų12490.1 Ų90.154%0.53949%0.486SS..  trans-84.8137.5-180-68.8175.6-177.4-79.50111.4C182 C185 F189C182-K187 PolarHBondContact N-O 3.46Å; C185-K187 PolarHBondContact O-N 3.2Å; K187-F189 HydrophobicContact CB-CE2 3.8Å; K187-F189 HydrophobicContact CB-CZ 3.86Å; K187-F189 HydrophobicContact CD-CZ 4.46Å
188M89.5Confident87.8Confident96 Ų9685.4 Ų85.447%0.47345%0.45SS..EExtended strand (participates in β ladder)trans-113.8146177.1-55.1-179.981.200111.1M175 L179 A181M175-M188 HydrophobicContact CE-CE 4.1Å; M175-M188 HydrophobicContact CE-SD 4.25Å; L179-M188 HydrophobicContact CB-CE 4Å; A181-M188 HydrophobicContact CB-CG 4.43Å
189F90.5Very high88.4Confident36 Ų3678.2 Ų78.216%0.15843%0.426CS..EExtended strand (participates in β ladder)trans-129.2142-174-62.2-84.2000111.5L179 V180 C182 K187 T191 L194 L195 H198L179-F189 CarbonylContact C-O 3.28Å; L179-F189 WeakPolarHBondContact CA-O 3.22Å; V180-F189 PolarHBondContact N-O 2.89Å; V180-F189 PolarHBondContact O-N 2.61Å; C182-F189 HydrophobicContact CB-CE2 4.17Å; K187-F189 HydrophobicContact CB-CE2 3.8Å; K187-F189 HydrophobicContact CB-CZ 3.86Å; K187-F189 HydrophobicContact CD-CZ 4.46Å; F189-T191 PolarHBondContact O-N 3.17Å; F189-L194 HydrophobicContact CB-CB 4.13Å; F189-L194 HydrophobicContact CD1-CB 3.77Å; F189-L194 HydrophobicContact CG-CB 4.27Å; F189-L195 HydrophobicContact CB-CB 4.2Å; F189-L195 HydrophobicContact CD2-CB 4.03Å; F189-L195 HydrophobicContact CD2-CD1 3.74Å; F189-L195 HydrophobicContact CE2-CD1 4.05Å; F189-L195 HydrophobicContact CG-CB 4.21Å; F189-H198 HydrophobicContact CE1-CB 3.68Å; F189-H198 AromaticContact CE1-CG 3.95Å; F189-H198 HydrophobicContact CE2-CB 3.8Å; F189-H198 AromaticContact CE2-CD2 3.27Å; F189-H198 WeakPolarHBondContact CE2-CD2 3.29Å; F189-H198 AromaticContact CE2-CG 3.5Å; F189-H198 VanDerWaalsContact CE2-CG 3.5Å; F189-H198 AromaticContact CE2-NE2 3.97Å; F189-H198 HydrophobicContact CZ-CB 3.28Å; F189-H198 AromaticContact CZ-CD2 3.37Å; F189-H198 WeakPolarHBondContact CZ-CD2 3.31Å; F189-H198 AromaticContact CZ-CG 3.07Å; F189-H198 AromaticContact CZ-ND1 3.59Å; F189-H198 AromaticContact CZ-NE2 3.99Å
190S88Confident88.8Confident77 Ų7776.7 Ų76.754%0.53842%0.422SS..SBendtrans-70.9-11.7177.654.30000114.6
191T87.4Confident88.9Confident76 Ų7679.5 Ų79.547%0.46643%0.43SS..SBendtrans-154.2146.2-177.6-46.50000110.3F189 K193 L194 L195F189-T191 PolarHBondContact O-N 3.17Å; T191-K193 HydrophobicContact CG2-CB 4.26Å; T191-K193 PolarHBondContact O-N 3.29Å; T191-K193 VanDerWaalsContact O-N 3.17Å; T191-L194 PolarHBondContact O-N 2.86Å; T191-L194 VanDerWaalsContact O-N 3.11Å; T191-L195 PolarHBondContact O-N 3.48Å
192V88Confident88.9Confident78 Ų7879.1 Ų79.147%0.47342%0.418SS..Hα-helixtrans-55.2-32.7175.4-179.10000112.4V180 L195 K196V180-V192 HydrophobicContact CG2-CG2 4.08Å; V192-L195 WeakPolarHBondContact O-CB 3.29Å; V192-L195 PolarHBondContact O-N 2.74Å; V192-K196 HydrophobicContact CG1-CD 4.41Å; V192-K196 HydrophobicContact CG1-CG 4.33Å; V192-K196 WeakPolarHBondContact O-CG 3.38Å; V192-K196 PolarHBondContact O-N 3.12Å
193K90.3Very high88.4Confident167 Ų16783.5 Ų83.573%0.72644%0.441SS*.Hα-helixtrans-60.3-46.4176.8-174.2176.1-179.1174.60112.4T191 L195 K196 Q197T191-K193 HydrophobicContact CG2-CB 4.26Å; T191-K193 PolarHBondContact O-N 3.29Å; T191-K193 VanDerWaalsContact O-N 3.17Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-K196 PolarHBondContact O-N 3.49Å; K193-Q197 PolarHBondContact O-N 3Å; K193-Q197 VanDerWaalsContact O-N 3.08Å
194L90.1Very high88.1Confident77 Ų7786.1 Ų86.140%0.40344%0.436SS..Hα-helixtrans-67.3-37.4177.6-69.5173000111F189 T191 Q197 H198F189-L194 HydrophobicContact CB-CB 4.13Å; F189-L194 HydrophobicContact CD1-CB 3.77Å; F189-L194 HydrophobicContact CG-CB 4.27Å; T191-L194 PolarHBondContact O-N 2.86Å; T191-L194 VanDerWaalsContact O-N 3.11Å; L194-Q197 PolarHBondContact O-N 2.8Å; L194-H198 VanDerWaalsContact O-CB 3.3Å; L194-H198 WeakPolarHBondContact O-CB 3.28Å; L194-H198 PolarHBondContact O-N 3.08Å
195L91.3Very high87.4Confident21 Ų2184.8 Ų84.811%0.1144%0.44CS..Hα-helixtrans-61.6-48.9173.3174.163.7000111.8V180 C182 F189 T191 V192 K193 Q197 H198 V199V180-L195 HydrophobicContact CB-CD2 4.07Å; V180-L195 HydrophobicContact CG1-CD2 3.43Å; V180-L195 VanDerWaalsContact CG1-CD2 3.43Å; C182-L195 HydrophobicContact CB-CD1 3.72Å; F189-L195 HydrophobicContact CB-CB 4.2Å; F189-L195 HydrophobicContact CD2-CB 4.03Å; F189-L195 HydrophobicContact CD2-CD1 3.74Å; F189-L195 HydrophobicContact CE2-CD1 4.05Å; F189-L195 HydrophobicContact CG-CB 4.21Å; T191-L195 PolarHBondContact O-N 3.48Å; V192-L195 WeakPolarHBondContact O-CB 3.29Å; V192-L195 PolarHBondContact O-N 2.74Å; K193-L195 VanDerWaalsContact C-N 3.33Å; L195-Q197 VanDerWaalsContact C-N 3.32Å; L195-Q197 PolarHBondContact O-N 2.84Å; L195-H198 CarbonylContact O-C 3.52Å; L195-H198 WeakPolarHBondContact O-CA 3.49Å; L195-H198 WeakPolarHBondContact O-CB 3.37Å; L195-H198 PolarHBondContact O-N 3.11Å; L195-H198 VanDerWaalsContact O-N 3.08Å; L195-V199 HydrophobicContact CD1-CG2 3.75Å; L195-V199 HydrophobicContact CG-CG2 4.19Å; L195-V199 WeakPolarHBondContact O-CG2 3.21Å; L195-V199 PolarHBondContact O-N 2.9Å
196K90.3Very high86.1Confident153 Ų15390.4 Ų90.467%0.66547%0.468SS*.Hα-helixtrans-58.1-44.7178-75.6-177.4177.8-1740111.8V192 K193 H198 V199 S200V192-K196 HydrophobicContact CG1-CD 4.41Å; V192-K196 HydrophobicContact CG1-CG 4.33Å; V192-K196 WeakPolarHBondContact O-CG 3.38Å; V192-K196 PolarHBondContact O-N 3.12Å; K193-K196 PolarHBondContact O-N 3.49Å; K196-H198 VanDerWaalsContact C-N 3.33Å; K196-H198 PolarHBondContact O-N 2.99Å; K196-V199 PolarHBondContact O-N 3.06Å; K196-S200 PolarHBondContact O-N 3.06Å
197Q90.5Very high84.7Confident107 Ų10788.6 Ų88.650%0.546%0.459SS..Hα-helixtrans-60.6-45.1174.8-177.6178.6-200110.7K193 L194 L195 S200 F201K193-Q197 PolarHBondContact O-N 3Å; K193-Q197 VanDerWaalsContact O-N 3.08Å; L194-Q197 PolarHBondContact O-N 2.8Å; L195-Q197 VanDerWaalsContact C-N 3.32Å; L195-Q197 PolarHBondContact O-N 2.84Å; Q197-S200 WeakPolarHBondContact O-CB 3.49Å; Q197-S200 PolarHBondContact O-N 2.88Å; Q197-S200 PolarHBondContact O-OG 2.84Å; Q197-F201 HydrophobicContact CG-CE2 3.96Å; Q197-F201 WeakPolarHBondContact O-CD2 2.86Å; Q197-F201 PolarHBondContact O-N 3.35Å
198H91.5Very high82.9Confident26 Ų2693.9 Ų93.912%0.1249%0.488CS..Hα-helixtrans-62.2-46.6176.9168.667.2000113.4C182 C185 F189 L194 L195 K196 S200 F201 H202C182-H198 PolarHBondContact SG-CD2 3.4Å; C182-H198 PolarHBondContact SG-NE2 2.86Å; C185-H198 PolarHBondContact SG-CE1 2.97Å; C185-H198 PolarHBondContact SG-NE2 2.79Å; F189-H198 HydrophobicContact CE1-CB 3.68Å; F189-H198 AromaticContact CE1-CG 3.95Å; F189-H198 HydrophobicContact CE2-CB 3.8Å; F189-H198 AromaticContact CE2-CD2 3.27Å; F189-H198 WeakPolarHBondContact CE2-CD2 3.29Å; F189-H198 AromaticContact CE2-CG 3.5Å; F189-H198 VanDerWaalsContact CE2-CG 3.5Å; F189-H198 AromaticContact CE2-NE2 3.97Å; F189-H198 HydrophobicContact CZ-CB 3.28Å; F189-H198 AromaticContact CZ-CD2 3.37Å; F189-H198 WeakPolarHBondContact CZ-CD2 3.31Å; F189-H198 AromaticContact CZ-CG 3.07Å; F189-H198 AromaticContact CZ-ND1 3.59Å; F189-H198 AromaticContact CZ-NE2 3.99Å; L194-H198 VanDerWaalsContact O-CB 3.3Å; L194-H198 WeakPolarHBondContact O-CB 3.28Å; L194-H198 PolarHBondContact O-N 3.08Å; L195-H198 CarbonylContact O-C 3.52Å; L195-H198 WeakPolarHBondContact O-CA 3.49Å; L195-H198 WeakPolarHBondContact O-CB 3.37Å; L195-H198 PolarHBondContact O-N 3.11Å; L195-H198 VanDerWaalsContact O-N 3.08Å; K196-H198 VanDerWaalsContact C-N 3.33Å; K196-H198 PolarHBondContact O-N 2.99Å; H198-S200 PolarHBondContact O-N 3.25Å; H198-F201 WeakPolarHBondContact O-CB 3.33Å; H198-F201 PolarHBondContact O-N 3.29Å; H198-H202 AromaticContact CE1-CD2 3.77Å; H198-H202 AromaticContact CE1-NE2 3.23Å; H198-H202 PolarHBondContact CE1-NE2 3.01Å; H198-H202 AromaticContact NE2-CD2 3.44Å; H198-H202 PolarHBondContact NE2-CD2 3.45Å; H198-H202 AromaticContact NE2-NE2 2.99Å; H198-H202 PolarHBondContact NE2-NE2 3.44Å; H198-H202 PolarHBondContact O-N 3.39Å
199V89Confident82.5Confident33 Ų3393.8 Ų93.820%0.249%0.489CS..Hα-helixtrans-62-34.2177175.40000110.7L184 L195 K196 F201 H202 N203L184-V199 HydrophobicContact CD1-CG1 4.49Å; L195-V199 HydrophobicContact CD1-CG2 3.75Å; L195-V199 HydrophobicContact CG-CG2 4.19Å; L195-V199 WeakPolarHBondContact O-CG2 3.21Å; L195-V199 PolarHBondContact O-N 2.9Å; K196-V199 PolarHBondContact O-N 3.06Å; V199-F201 PolarHBondContact O-N 2.7Å; V199-H202 WeakPolarHBondContact O-CB 3.19Å; V199-H202 PolarHBondContact O-N 2.82Å; V199-N203 PolarHBondContact O-N 3.4Å
200S89.6Confident82.1Confident39 Ų3996.8 Ų96.827%0.27351%0.506SS..Hα-helixtrans-60.7-28.6173.883.50000113.3K196 Q197 H198 N203 R204K196-S200 PolarHBondContact O-N 3.06Å; Q197-S200 WeakPolarHBondContact O-CB 3.49Å; Q197-S200 PolarHBondContact O-N 2.88Å; Q197-S200 PolarHBondContact O-OG 2.84Å; H198-S200 PolarHBondContact O-N 3.25Å; S200-N203 PolarHBondContact O-N 2.91Å; S200-R204 WeakPolarHBondContact O-CG 3.46Å; S200-R204 PolarHBondContact O-N 3.32Å; S200-R204 VanDerWaalsContact O-N 3.08Å
201F87.5Confident81.8Confident110 Ų11097.9 Ų97.948%0.48251%0.505SS..Hα-helixtrans-73.6-34.4174-74-79.7000112.5Q197 H198 V199 N203 R204 A205Q197-F201 HydrophobicContact CG-CE2 3.96Å; Q197-F201 WeakPolarHBondContact O-CD2 2.86Å; Q197-F201 PolarHBondContact O-N 3.35Å; H198-F201 WeakPolarHBondContact O-CB 3.33Å; H198-F201 PolarHBondContact O-N 3.29Å; V199-F201 PolarHBondContact O-N 2.7Å; F201-N203 VanDerWaalsContact C-N 3.32Å; F201-R204 PolarHBondContact O-N 2.87Å; F201-A205 WeakPolarHBondContact O-CB 3.35Å; F201-A205 PolarHBondContact O-N 3.5Å
202H88.4Confident81.5Confident49 Ų4999.2 Ų99.223%0.22751%0.507CS..Hα-helixtrans-62.6-43.2170.6-73.4-61.9000111L184 C185 H198 V199 R204 A205 N206L184-H202 HydrophobicContact CD1-CB 3.46Å; L184-H202 VanDerWaalsContact CD1-CB 3.46Å; C185-H202 PolarHBondContact SG-NE2 2.75Å; C185-H202 VanDerWaalsContact SG-NE2 3.37Å; H198-H202 AromaticContact CE1-CD2 3.77Å; H198-H202 AromaticContact CE1-NE2 3.23Å; H198-H202 PolarHBondContact CE1-NE2 3.01Å; H198-H202 AromaticContact NE2-CD2 3.44Å; H198-H202 PolarHBondContact NE2-CD2 3.45Å; H198-H202 AromaticContact NE2-NE2 2.99Å; H198-H202 PolarHBondContact NE2-NE2 3.44Å; H198-H202 PolarHBondContact O-N 3.39Å; V199-H202 WeakPolarHBondContact O-CB 3.19Å; V199-H202 PolarHBondContact O-N 2.82Å; H202-R204 VanDerWaalsContact C-N 3.29Å; H202-R204 PolarHBondContact O-N 2.92Å; H202-A205 PolarHBondContact O-N 3.24Å; H202-N206 WeakPolarHBondContact O-CB 3.45Å; H202-N206 PolarHBondContact O-N 3.44Å
203N78.2Confident81Confident101 Ų101100.6 Ų100.654%0.5451%0.509SS..Hα-helixtrans-63.2-35177.9-63.3-15.7000112.4V199 S200 F201V199-N203 PolarHBondContact O-N 3.4Å; S200-N203 PolarHBondContact O-N 2.91Å; F201-N203 VanDerWaalsContact C-N 3.32Å
204R79.9Confident80.4Confident169 Ų16996.1 Ų96.164%0.63850%0.495SS*.Hα-helixtrans-72.2-41.1174.2-72.5174.1-178.1174.6-0112.4S200 F201 H202 N206 S207S200-R204 WeakPolarHBondContact O-CG 3.46Å; S200-R204 PolarHBondContact O-N 3.32Å; S200-R204 VanDerWaalsContact O-N 3.08Å; F201-R204 PolarHBondContact O-N 2.87Å; H202-R204 VanDerWaalsContact C-N 3.29Å; H202-R204 PolarHBondContact O-N 2.92Å; R204-N206 VanDerWaalsContact C-N 3.34Å; R204-S207 PolarHBondContact O-N 3.08Å
205A72.5Confident79.7Confident74 Ų7497.5 Ų97.561%0.61250%0.501SS*.Hα-helixtrans-71.2-29-179.100000112.8F201 H202 S207F201-A205 WeakPolarHBondContact O-CB 3.35Å; F201-A205 PolarHBondContact O-N 3.5Å; H202-A205 PolarHBondContact O-N 3.24Å; A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 3.4Å
206N62.4Low78.8Confident147 Ų147103.4 Ų103.479%0.78653%0.531SS*.THydrogen-bonded Turntrans-83.72.6176.2-161.736.8000113.4H202 R204H202-N206 WeakPolarHBondContact O-CB 3.45Å; H202-N206 PolarHBondContact O-N 3.44Å; R204-N206 VanDerWaalsContact C-N 3.34Å
207S57.5Low77.9Confident100 Ų10099.3 Ų99.370%0.69952%0.52SS*.THydrogen-bonded Turntrans-113.217.4-178.4-174.50000113.1R204 A205R204-S207 PolarHBondContact O-N 3.08Å; A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 3.4Å
208M47.7Very low76.8Confident236 Ų23698.5 Ų98.5100%1.16352%0.522SS*.  trans-120.80167.1-70-157.9167.300109.6

Retrieved 208 of 208 residues in 209.9 ms (Link to these results)

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