A0A096NLF5_PAPAN Loading...

UBA like domain containing 1

AlphaFold DB (A0A2K6KCC9), UniProt , Accession A0A096NLF5, Species PAPAN (Papio anubis, Olive baboon), Gene UBALD1, Length 177 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
1M60.8Low85.9Confident241 Ų241114.3 Ų114.3100%1.18760%0.598SS**  0103.90-65.6173.2-174.300106.6V3M1-V3 PolarHBondContact O-N 3.21Å
2S68.2Low86.8Confident127 Ų127111.8 Ų111.889%0.88859%0.59SS**  trans-78.9117.5177.6-51.80000107.5N4S2-N4 PolarHBondContact O-N 3.02Å
3V75.1Confident87.6Confident122 Ų122105.4 Ų105.474%0.73956%0.556SS**  trans-65126.5172.8-70.50000108.4M1 M5M1-V3 PolarHBondContact O-N 3.21Å; V3-M5 PolarHBondContact O-N 2.81Å
4N85.4Confident88.4Confident105 Ų10599.6 Ų99.656%0.56153%0.525SS*.  trans-78.7101.9178.8-165.159.7000108.6S2 D6 E7 L8S2-N4 PolarHBondContact O-N 3.02Å; N4-D6 PolarHBondContact O-N 2.97Å; N4-E7 HydrophobicContact CB-CB 4.25Å; N4-E7 WeakPolarHBondContact O-CB 3.11Å; N4-E7 PolarHBondContact O-N 3.45Å; N4-L8 PolarHBondContact O-N 3.34Å
5M90.8Very high89Confident126 Ų12698.5 Ų98.562%0.62152%0.52SS*.Hα-helixtrans-60.9-29.1-175.1-73.5-65.6-73.400113V3 L8 K9V3-M5 PolarHBondContact O-N 2.81Å; M5-L8 PolarHBondContact O-N 3.12Å; M5-L8 HydrophobicContact SD-CD2 4.29Å; M5-K9 WeakPolarHBondContact O-CB 3.27Å; M5-K9 PolarHBondContact O-N 3.35Å
6D91.1Very high89.5Confident82 Ų8298 Ų9844%0.43951%0.514SS..Hα-helixtrans-66.6-36.1175-77.2-70.8000112.8N4 L8 K9 H10N4-D6 PolarHBondContact O-N 2.97Å; D6-L8 VanDerWaalsContact C-N 3.33Å; D6-K9 PolarHBondContact O-N 3.19Å; D6-K9 IonicContact OD1-NZ 2.9Å; D6-K9 PolarHBondContact OD1-NZ 2.98Å; D6-H10 PolarHBondContact O-N 3.04Å; D6-H10 PolarHBondContact O-ND1 3.49Å; D6-H10 VanDerWaalsContact O-ND1 3.16Å
7E91.9Very high90Very high117 Ų11792.2 Ų92.255%0.54748%0.483SS..Hα-helixtrans-66.3-41175.7-16364-15000110.6N4 K9 H10 Q11N4-E7 HydrophobicContact CB-CB 4.25Å; N4-E7 WeakPolarHBondContact O-CB 3.11Å; N4-E7 PolarHBondContact O-N 3.45Å; E7-K9 PolarHBondContact O-N 3.27Å; E7-H10 PolarHBondContact O-N 3.11Å; E7-Q11 WeakPolarHBondContact O-CB 3.5Å; E7-Q11 PolarHBondContact O-N 2.89Å
8L95.2Very high90.4Very high90 Ų9089.6 Ų89.647%0.47147%0.472SS..Hα-helixtrans-63.3-43175.3-176.662.1000111.3N4 M5 D6 Q11 V12N4-L8 PolarHBondContact O-N 3.34Å; M5-L8 PolarHBondContact O-N 3.12Å; M5-L8 HydrophobicContact SD-CD2 4.29Å; D6-L8 VanDerWaalsContact C-N 3.33Å; L8-Q11 PolarHBondContact O-N 3.08Å; L8-V12 HydrophobicContact CD1-CG2 4.45Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 2.99Å
9K94.6Very high90.7Very high103 Ų10392.2 Ų92.245%0.44849%0.485SS..Hα-helixtrans-59.8-47176.2-169.6-172.775.6-155.20111.1M5 D6 E7 Q11 V12 M13M5-K9 WeakPolarHBondContact O-CB 3.27Å; M5-K9 PolarHBondContact O-N 3.35Å; D6-K9 PolarHBondContact O-N 3.19Å; D6-K9 IonicContact OD1-NZ 2.9Å; D6-K9 PolarHBondContact OD1-NZ 2.98Å; E7-K9 PolarHBondContact O-N 3.27Å; K9-Q11 VanDerWaalsContact C-N 3.33Å; K9-Q11 PolarHBondContact O-N 3.17Å; K9-V12 PolarHBondContact O-N 2.82Å; K9-M13 HydrophobicContact CG-CE 4.06Å; K9-M13 WeakPolarHBondContact O-CG 3.44Å; K9-M13 PolarHBondContact O-N 3.23Å
10H95.8Very high91Very high35 Ų3591.2 Ų91.216%0.16248%0.483CS..Hα-helixtrans-58.3-45175.7-65.9151.8000111.7D6 E7 M13 I14 W37D6-H10 PolarHBondContact O-N 3.04Å; D6-H10 PolarHBondContact O-ND1 3.49Å; D6-H10 VanDerWaalsContact O-ND1 3.16Å; E7-H10 PolarHBondContact O-N 3.11Å; H10-M13 PolarHBondContact O-N 3.08Å; H10-I14 WeakPolarHBondContact O-CG1 3.22Å; H10-I14 PolarHBondContact O-N 3.49Å; H10-W37 HydrophobicContact CB-CD2 4.43Å; H10-W37 HydrophobicContact CB-CE3 4.07Å; H10-W37 HydrophobicContact CB-CH2 3.56Å; H10-W37 HydrophobicContact CB-CZ2 3.93Å; H10-W37 HydrophobicContact CB-CZ3 3.62Å; H10-W37 AromaticContact CD2-CD1 3.86Å; H10-W37 AromaticContact CD2-CD2 3.23Å; H10-W37 AromaticContact CD2-CE2 3.37Å; H10-W37 AromaticContact CD2-CE3 3.59Å; H10-W37 AromaticContact CD2-CG 3.58Å; H10-W37 AromaticContact CD2-CZ2 3.85Å; H10-W37 AromaticContact CD2-NE1 3.74Å; H10-W37 AromaticContact CE1-NE1 3.87Å; H10-W37 AromaticContact CG-CD2 3.88Å; H10-W37 AromaticContact CG-CE2 3.67Å; H10-W37 AromaticContact CG-CH2 3.8Å; H10-W37 AromaticContact CG-CZ2 3.64Å; H10-W37 AromaticContact CG-CZ3 3.97Å; H10-W37 AromaticContact ND1-CZ2 3.96Å; H10-W37 AromaticContact NE2-CD1 3.54Å; H10-W37 AromaticContact NE2-CD2 3.76Å; H10-W37 AromaticContact NE2-CE2 3.64Å; H10-W37 AromaticContact NE2-CG 3.7Å; H10-W37 AromaticContact NE2-NE1 3.49Å; H10-W37 PolarHBondContact NE2-NE1 3.42Å
11Q95.9Very high91.1Very high109 Ų10987.7 Ų87.751%0.50947%0.467SS..Hα-helixtrans-65.9-41.3179.1-169.1174.4-200112.6E7 L8 K9 M13 I14 N15E7-Q11 WeakPolarHBondContact O-CB 3.5Å; E7-Q11 PolarHBondContact O-N 2.89Å; L8-Q11 PolarHBondContact O-N 3.08Å; K9-Q11 VanDerWaalsContact C-N 3.33Å; K9-Q11 PolarHBondContact O-N 3.17Å; Q11-M13 VanDerWaalsContact C-N 3.32Å; Q11-M13 PolarHBondContact O-N 3.41Å; Q11-I14 PolarHBondContact O-N 3.24Å; Q11-N15 PolarHBondContact O-N 2.95Å
12V96.8Very high92.7Very high84 Ų8479.5 Ų79.551%0.50944%0.444SS..Hα-helixtrans-61.6-42.5174.1170.10000110.6L8 K9 I14 N15 Q16L8-V12 HydrophobicContact CD1-CG2 4.45Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 2.99Å; K9-V12 PolarHBondContact O-N 2.82Å; V12-I14 PolarHBondContact O-N 3.11Å; V12-N15 PolarHBondContact O-N 3.19Å; V12-Q16 VanDerWaalsContact O-CB 3.29Å; V12-Q16 WeakPolarHBondContact O-CB 3.26Å; V12-Q16 PolarHBondContact O-N 3.13Å
13M97.4Very high94Very high29 Ų2974.2 Ų74.214%0.14341%0.407CS..Hα-helixtrans-63.1-41.4176.1-74.4-174.1-66.600112.3K9 H10 Q11 Q16 F17 L32 W37K9-M13 HydrophobicContact CG-CE 4.06Å; K9-M13 WeakPolarHBondContact O-CG 3.44Å; K9-M13 PolarHBondContact O-N 3.23Å; H10-M13 PolarHBondContact O-N 3.08Å; Q11-M13 VanDerWaalsContact C-N 3.32Å; Q11-M13 PolarHBondContact O-N 3.41Å; M13-Q16 PolarHBondContact O-N 3.07Å; M13-F17 VanDerWaalsContact O-CB 3.29Å; M13-F17 WeakPolarHBondContact O-CB 3.45Å; M13-F17 PolarHBondContact O-N 2.92Å; M13-L32 HydrophobicContact CB-CD1 4.05Å; M13-L32 HydrophobicContact CB-CD2 4.41Å; M13-W37 HydrophobicContact CE-CB 3.72Å; M13-W37 HydrophobicContact CE-CD2 4.13Å; M13-W37 HydrophobicContact CE-CE3 3.69Å; M13-W37 HydrophobicContact CE-CG 4.18Å; M13-W37 HydrophobicContact SD-CB 4.37Å
14I97.9Very high95.1Very high24 Ų2471.3 Ų71.312%0.12340%0.396CS..Hα-helixtrans-59.8-50175.3-68.1162.8000110.3H10 Q11 V12 Q16 F17 V18 A25 A28 K29 L32 W37H10-I14 WeakPolarHBondContact O-CG1 3.22Å; H10-I14 PolarHBondContact O-N 3.49Å; Q11-I14 PolarHBondContact O-N 3.24Å; V12-I14 PolarHBondContact O-N 3.11Å; I14-Q16 VanDerWaalsContact C-N 3.32Å; I14-Q16 PolarHBondContact O-N 3.12Å; I14-F17 WeakPolarHBondContact O-CB 3.49Å; I14-F17 PolarHBondContact O-N 3.41Å; I14-V18 HydrophobicContact CG2-CG2 4.45Å; I14-V18 WeakPolarHBondContact O-CG2 3.05Å; I14-V18 PolarHBondContact O-N 2.91Å; I14-A25 HydrophobicContact CG2-CB 4.15Å; I14-A28 HydrophobicContact CG2-CB 4.24Å; I14-K29 HydrophobicContact CD1-CB 4.05Å; I14-K29 HydrophobicContact CD1-CD 4.39Å; I14-K29 HydrophobicContact CD1-CG 4.05Å; I14-K29 HydrophobicContact CG1-CB 4.3Å; I14-L32 HydrophobicContact CB-CD1 4.36Å; I14-L32 HydrophobicContact CG1-CD1 3.82Å; I14-W37 HydrophobicContact CD1-CH2 4.08Å; I14-W37 HydrophobicContact CD1-CZ3 4.13Å; I14-W37 HydrophobicContact CG1-CH2 4.42Å; I14-W37 HydrophobicContact CG1-CZ3 3.99Å
15N97.6Very high95.6Very high84 Ų8468.7 Ų68.745%0.44939%0.389SS..Hα-helixtrans-62-42.8179.8-71.8-10.5000111.5Q11 V12 F17 V18 L19Q11-N15 PolarHBondContact O-N 2.95Å; V12-N15 PolarHBondContact O-N 3.19Å; N15-F17 VanDerWaalsContact C-N 3.27Å; N15-F17 PolarHBondContact O-N 3.41Å; N15-V18 PolarHBondContact O-N 2.96Å; N15-L19 WeakPolarHBondContact O-CB 3.25Å; N15-L19 VanDerWaalsContact O-CG 3.24Å; N15-L19 WeakPolarHBondContact O-CG 3.24Å; N15-L19 PolarHBondContact O-N 3.46Å
16Q97.7Very high95.8Very high90 Ų9068.5 Ų68.542%0.42139%0.39SS..Hα-helixtrans-63.4-38177.7-171.260.18300111.2V12 M13 I14 L19 T20 F39V12-Q16 VanDerWaalsContact O-CB 3.29Å; V12-Q16 WeakPolarHBondContact O-CB 3.26Å; V12-Q16 PolarHBondContact O-N 3.13Å; M13-Q16 PolarHBondContact O-N 3.07Å; I14-Q16 VanDerWaalsContact C-N 3.32Å; I14-Q16 PolarHBondContact O-N 3.12Å; Q16-L19 PolarHBondContact O-N 3.1Å; Q16-T20 PolarHBondContact NE2-OG1 2.86Å; Q16-T20 WeakPolarHBondContact O-CB 3.44Å; Q16-T20 PolarHBondContact O-N 2.93Å; Q16-T20 PolarHBondContact O-OG1 3.4Å; Q16-F39 HydrophobicContact CB-CE2 3.92Å; Q16-F39 HydrophobicContact CB-CZ 4.21Å; Q16-F39 HydrophobicContact CG-CE1 4.36Å; Q16-F39 HydrophobicContact CG-CE2 3.79Å; Q16-F39 HydrophobicContact CG-CZ 3.57Å
17F97.5Very high96Very high0 Ų068.7 Ų68.70%039%0.389CS..Hα-helixtrans-67.5-47178.3-164.9-76.7000111M13 I14 N15 L19 T20 A21 C23 A28 L31 L32 F39 A42 L43 F46M13-F17 VanDerWaalsContact O-CB 3.29Å; M13-F17 WeakPolarHBondContact O-CB 3.45Å; M13-F17 PolarHBondContact O-N 2.92Å; I14-F17 WeakPolarHBondContact O-CB 3.49Å; I14-F17 PolarHBondContact O-N 3.41Å; N15-F17 VanDerWaalsContact C-N 3.27Å; N15-F17 PolarHBondContact O-N 3.41Å; F17-L19 VanDerWaalsContact C-N 3.31Å; F17-L19 PolarHBondContact O-N 3.05Å; F17-T20 PolarHBondContact O-N 2.89Å; F17-A21 HydrophobicContact CD1-CB 3.85Å; F17-A21 HydrophobicContact CE1-CB 3.63Å; F17-A21 HydrophobicContact CZ-CB 4.33Å; F17-A21 VanDerWaalsContact O-CB 3.23Å; F17-A21 WeakPolarHBondContact O-CB 3.15Å; F17-A21 PolarHBondContact O-N 2.93Å; F17-C23 VanDerWaalsContact CE1-SG 3.58Å; F17-A28 HydrophobicContact CB-CB 4Å; F17-A28 HydrophobicContact CD1-CB 3.53Å; F17-A28 HydrophobicContact CE1-CB 4.35Å; F17-A28 HydrophobicContact CG-CB 4Å; F17-L31 HydrophobicContact CE1-CD1 4.01Å; F17-L31 HydrophobicContact CZ-CB 4.32Å; F17-L31 HydrophobicContact CZ-CD1 3.93Å; F17-L32 HydrophobicContact CB-CD1 4.07Å; F17-L32 HydrophobicContact CD2-CD1 4.47Å; F17-L32 HydrophobicContact CD2-CD2 4.14Å; F17-L32 HydrophobicContact CD2-CG 4.16Å; F17-L32 HydrophobicContact CG-CD1 4.45Å; F17-F39 HydrophobicContact CB-CE2 3.92Å; F17-F39 HydrophobicContact CD2-CD2 4.36Å; F17-F39 HydrophobicContact CD2-CE2 4.09Å; F17-F39 HydrophobicContact CG-CE2 4.49Å; F17-A42 HydrophobicContact CD2-CB 4.24Å; F17-A42 HydrophobicContact CE2-CB 3.57Å; F17-A42 HydrophobicContact CZ-CB 4.44Å; F17-L43 HydrophobicContact CD2-CD2 3.98Å; F17-L43 HydrophobicContact CD2-CG 4.15Å; F17-L43 HydrophobicContact CE2-CB 4.46Å; F17-L43 HydrophobicContact CE2-CD2 3.71Å; F17-L43 HydrophobicContact CE2-CG 3.89Å; F17-L43 HydrophobicContact CZ-CD2 4.04Å; F17-F46 HydrophobicContact CE1-CB 4.48Å; F17-F46 HydrophobicContact CE1-CD2 4.22Å; F17-F46 HydrophobicContact CE1-CG 4.24Å; F17-F46 HydrophobicContact CZ-CB 3.79Å; F17-F46 HydrophobicContact CZ-CD2 4.34Å; F17-F46 HydrophobicContact CZ-CG 4.04Å
18V97.3Very high96.2Very high45 Ų4563.1 Ų63.127%0.27336%0.363SS..Hα-helixtrans-57.5-44.3175.8168.30000111.2I14 N15 T20 G22 C23 A25 A28I14-V18 HydrophobicContact CG2-CG2 4.45Å; I14-V18 WeakPolarHBondContact O-CG2 3.05Å; I14-V18 PolarHBondContact O-N 2.91Å; N15-V18 PolarHBondContact O-N 2.96Å; V18-T20 PolarHBondContact O-N 3.03Å; V18-G22 VanDerWaalsContact O-CA 3.25Å; V18-G22 WeakPolarHBondContact O-CA 3.34Å; V18-G22 PolarHBondContact O-N 3.21Å; V18-C23 WeakPolarHBondContact CG1-O 2.89Å; V18-A25 HydrophobicContact CG2-CB 4.16Å; V18-A28 HydrophobicContact CG2-CB 3.76Å
19L96.9Very high96.3Very high139 Ų13963.4 Ų63.473%0.72836%0.36SS*.Hα-helixtrans-66-37.1179-72.1170.1000112.8N15 Q16 F17N15-L19 WeakPolarHBondContact O-CB 3.25Å; N15-L19 VanDerWaalsContact O-CG 3.24Å; N15-L19 WeakPolarHBondContact O-CG 3.24Å; N15-L19 PolarHBondContact O-N 3.46Å; Q16-L19 PolarHBondContact O-N 3.1Å; F17-L19 VanDerWaalsContact C-N 3.31Å; F17-L19 PolarHBondContact O-N 3.05Å
20T95.3Very high96.4Very high72 Ų7264.9 Ų64.944%0.44237%0.368SS..Hα-helixtrans-82.6-43-177.8-58.50000112.7Q16 F17 V18 L43Q16-T20 PolarHBondContact NE2-OG1 2.86Å; Q16-T20 WeakPolarHBondContact O-CB 3.44Å; Q16-T20 PolarHBondContact O-N 2.93Å; Q16-T20 PolarHBondContact O-OG1 3.4Å; F17-T20 PolarHBondContact O-N 2.89Å; V18-T20 PolarHBondContact O-N 3.03Å; T20-L43 HydrophobicContact CG2-CD1 4.09Å; T20-L43 HydrophobicContact CG2-CD2 4.07Å
21A94.1Very high96.4Very high18 Ų1864.4 Ų64.415%0.14937%0.367CS..Hα-helixtrans-93.8-17.8-173.600000113.5F17 C23 L43 F46F17-A21 HydrophobicContact CD1-CB 3.85Å; F17-A21 HydrophobicContact CE1-CB 3.63Å; F17-A21 HydrophobicContact CZ-CB 4.33Å; F17-A21 VanDerWaalsContact O-CB 3.23Å; F17-A21 WeakPolarHBondContact O-CB 3.15Å; F17-A21 PolarHBondContact O-N 2.93Å; A21-C23 VanDerWaalsContact C-N 3.29Å; A21-C23 PolarHBondContact O-N 2.97Å; A21-L43 HydrophobicContact CB-CD2 4.15Å; A21-F46 HydrophobicContact CB-CD1 3.9Å; A21-F46 HydrophobicContact CB-CE1 3.61Å; A21-F46 HydrophobicContact CB-CZ 3.99Å
22G95.1Very high96.4Very high69 Ų6959.2 Ų59.271%0.71134%0.343SS*.  trans70.220.3-179.700000114.6V18V18-G22 VanDerWaalsContact O-CA 3.25Å; V18-G22 WeakPolarHBondContact O-CA 3.34Å; V18-G22 PolarHBondContact O-N 3.21Å
23C95.1Very high96.3Very high16 Ų1660 Ų6011%0.10834%0.341CS..  trans-98.6170.4-179.566.70000112.8F17 V18 A21 Q27 F46F17-C23 VanDerWaalsContact CE1-SG 3.58Å; V18-C23 WeakPolarHBondContact CG1-O 2.89Å; A21-C23 VanDerWaalsContact C-N 3.29Å; A21-C23 PolarHBondContact O-N 2.97Å; C23-Q27 HydrophobicContact CB-CB 4.5Å; C23-F46 HydrophobicContact CB-CE2 3.86Å; C23-F46 HydrophobicContact CB-CZ 3.98Å
24A96.8Very high96.2Very high61 Ų6162.3 Ų62.350%0.50437%0.365SS..  trans-68.7150.5176.600000111.9D26 Q27 A28A24-D26 VanDerWaalsContact C-N 3.27Å; A24-D26 PolarHBondContact O-N 2.88Å; A24-Q27 WeakPolarHBondContact O-CB 3.39Å; A24-Q27 PolarHBondContact O-N 3.48Å; A24-A28 PolarHBondContact O-N 2.79Å
25A96.3Very high96Very high49 Ų4961.9 Ų61.941%0.40536%0.364SS..Hα-helixtrans-58.7-35.6-178.800000113.3I14 V18 A28 K29I14-A25 HydrophobicContact CG2-CB 4.15Å; V18-A25 HydrophobicContact CG2-CB 4.16Å; A25-A28 PolarHBondContact O-N 3.23Å; A25-K29 VanDerWaalsContact O-CB 3.31Å; A25-K29 WeakPolarHBondContact O-CB 3.46Å; A25-K29 PolarHBondContact O-N 3.02Å
26D96.4Very high95.9Very high123 Ų12365.5 Ų65.566%0.65838%0.378SS*.Hα-helixtrans-65.2-40175.9-63.9-76.8000112.3A24 K29 Q30A24-D26 VanDerWaalsContact C-N 3.27Å; A24-D26 PolarHBondContact O-N 2.88Å; D26-K29 PolarHBondContact O-N 2.97Å; D26-Q30 WeakPolarHBondContact O-CG 3.23Å; D26-Q30 PolarHBondContact O-N 3.5Å
27Q94.8Very high95.8Very high86 Ų8664 Ų6440%0.40237%0.369SS..Hα-helixtrans-67.5-45.2176.2-173.2179.4-4.100110.9C23 A24 K29 Q30 L31C23-Q27 HydrophobicContact CB-CB 4.5Å; A24-Q27 WeakPolarHBondContact O-CB 3.39Å; A24-Q27 PolarHBondContact O-N 3.48Å; Q27-K29 VanDerWaalsContact C-N 3.29Å; Q27-K29 PolarHBondContact O-N 3.45Å; Q27-Q30 PolarHBondContact O-N 3.39Å; Q27-L31 HydrophobicContact CG-CD1 4.02Å; Q27-L31 PolarHBondContact O-N 2.92Å
28A96.5Very high95.7Very high0 Ų069.4 Ų69.40%039%0.394CS..Hα-helixtrans-56.9-43.517400000111.7I14 F17 V18 A24 A25 L31 L32I14-A28 HydrophobicContact CG2-CB 4.24Å; F17-A28 HydrophobicContact CB-CB 4Å; F17-A28 HydrophobicContact CD1-CB 3.53Å; F17-A28 HydrophobicContact CE1-CB 4.35Å; F17-A28 HydrophobicContact CG-CB 4Å; V18-A28 HydrophobicContact CG2-CB 3.76Å; A24-A28 PolarHBondContact O-N 2.79Å; A25-A28 PolarHBondContact O-N 3.23Å; A28-L31 PolarHBondContact O-N 3.27Å; A28-L32 VanDerWaalsContact O-CB 3.32Å; A28-L32 WeakPolarHBondContact O-CB 3.41Å; A28-L32 WeakPolarHBondContact O-CD1 3.37Å; A28-L32 VanDerWaalsContact O-CG 3.26Å; A28-L32 WeakPolarHBondContact O-CG 3.17Å; A28-L32 PolarHBondContact O-N 3.19Å
29K96.4Very high95.6Very high96 Ų9669.8 Ų69.842%0.41739%0.392SS..Hα-helixtrans-62-46.7177.3-176.6178.1178.81780111.8I14 A25 D26 Q27 L31 L32 Q33I14-K29 HydrophobicContact CD1-CB 4.05Å; I14-K29 HydrophobicContact CD1-CD 4.39Å; I14-K29 HydrophobicContact CD1-CG 4.05Å; I14-K29 HydrophobicContact CG1-CB 4.3Å; A25-K29 VanDerWaalsContact O-CB 3.31Å; A25-K29 WeakPolarHBondContact O-CB 3.46Å; A25-K29 PolarHBondContact O-N 3.02Å; D26-K29 PolarHBondContact O-N 2.97Å; Q27-K29 VanDerWaalsContact C-N 3.29Å; Q27-K29 PolarHBondContact O-N 3.45Å; K29-L31 PolarHBondContact O-N 3.25Å; K29-L32 PolarHBondContact O-N 3.06Å; K29-Q33 HydrophobicContact CG-CG 4.43Å; K29-Q33 WeakPolarHBondContact O-CB 3.14Å; K29-Q33 VanDerWaalsContact O-CG 3.23Å; K29-Q33 WeakPolarHBondContact O-CG 3.41Å; K29-Q33 PolarHBondContact O-N 3.01Å
30Q96.3Very high95.5Very high133 Ų13370.7 Ų70.762%0.62139%0.393SS*.Hα-helixtrans-60.2-45.5178.6-75.4177.6-36.400112.2D26 Q27 Q33 A34D26-Q30 WeakPolarHBondContact O-CG 3.23Å; D26-Q30 PolarHBondContact O-N 3.5Å; Q27-Q30 PolarHBondContact O-N 3.39Å; Q30-Q33 PolarHBondContact O-N 2.84Å; Q30-A34 WeakPolarHBondContact O-CB 3.33Å; Q30-A34 PolarHBondContact O-N 3.06Å
31L95.6Very high95.5Very high25 Ų2571 Ų7113%0.13140%0.395CS..Hα-helixtrans-66.1-44.6179.5-76158.2000112.1F17 Q27 A28 K29 Q33 A34 A35 A42 F46F17-L31 HydrophobicContact CE1-CD1 4.01Å; F17-L31 HydrophobicContact CZ-CB 4.32Å; F17-L31 HydrophobicContact CZ-CD1 3.93Å; Q27-L31 HydrophobicContact CG-CD1 4.02Å; Q27-L31 PolarHBondContact O-N 2.92Å; A28-L31 PolarHBondContact O-N 3.27Å; K29-L31 PolarHBondContact O-N 3.25Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 2.89Å; L31-A34 PolarHBondContact O-N 3.33Å; L31-A35 VanDerWaalsContact O-CB 3.27Å; L31-A35 WeakPolarHBondContact O-CB 3.08Å; L31-A35 PolarHBondContact O-N 2.86Å; L31-A42 HydrophobicContact CB-CB 4.49Å; L31-F46 HydrophobicContact CD1-CB 4.16Å; L31-F46 HydrophobicContact CD1-CD2 3.53Å; L31-F46 HydrophobicContact CD1-CE2 4.4Å; L31-F46 HydrophobicContact CD1-CG 4.28Å
32L96.4Very high95.5Very high0 Ų070.1 Ų70.10%039%0.388CS..Hα-helixtrans-63.5-40.1176-74.1166.1000111.2M13 I14 F17 A28 K29 A35 H36 W37 F39 A42M13-L32 HydrophobicContact CB-CD1 4.05Å; M13-L32 HydrophobicContact CB-CD2 4.41Å; I14-L32 HydrophobicContact CB-CD1 4.36Å; I14-L32 HydrophobicContact CG1-CD1 3.82Å; F17-L32 HydrophobicContact CB-CD1 4.07Å; F17-L32 HydrophobicContact CD2-CD1 4.47Å; F17-L32 HydrophobicContact CD2-CD2 4.14Å; F17-L32 HydrophobicContact CD2-CG 4.16Å; F17-L32 HydrophobicContact CG-CD1 4.45Å; A28-L32 VanDerWaalsContact O-CB 3.32Å; A28-L32 WeakPolarHBondContact O-CB 3.41Å; A28-L32 WeakPolarHBondContact O-CD1 3.37Å; A28-L32 VanDerWaalsContact O-CG 3.26Å; A28-L32 WeakPolarHBondContact O-CG 3.17Å; A28-L32 PolarHBondContact O-N 3.19Å; K29-L32 PolarHBondContact O-N 3.06Å; L32-A35 CarbonylContact O-C 3.57Å; L32-A35 PolarHBondContact O-N 3.44Å; L32-H36 PolarHBondContact O-N 3.03Å; L32-W37 HydrophobicContact CB-CD2 4.38Å; L32-W37 HydrophobicContact CB-CE3 3.6Å; L32-W37 HydrophobicContact CB-CZ3 3.77Å; L32-W37 HydrophobicContact CD1-CE3 4.31Å; L32-W37 HydrophobicContact CD1-CZ3 4.12Å; L32-W37 HydrophobicContact CG-CE3 4.41Å; L32-W37 VanDerWaalsContact O-CA 3.29Å; L32-W37 WeakPolarHBondContact O-CA 3.48Å; L32-W37 PolarHBondContact O-N 3.38Å; L32-F39 HydrophobicContact CD2-CD2 4.22Å; L32-A42 HydrophobicContact CD2-CB 3.97Å; L32-A42 HydrophobicContact CG-CB 4.45Å
33Q95.6Very high95.5Very high101 Ų10168.1 Ų68.147%0.47236%0.36SS..Hα-helixtrans-64.7-44.4175.2-74.2-179.3-63.800112.2K29 Q30 L31 A35 H36 W37K29-Q33 HydrophobicContact CG-CG 4.43Å; K29-Q33 WeakPolarHBondContact O-CB 3.14Å; K29-Q33 VanDerWaalsContact O-CG 3.23Å; K29-Q33 WeakPolarHBondContact O-CG 3.41Å; K29-Q33 PolarHBondContact O-N 3.01Å; Q30-Q33 PolarHBondContact O-N 2.84Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 2.89Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 3.46Å; Q33-H36 PolarHBondContact O-N 3.19Å; Q33-W37 HydrophobicContact CG-CH2 4.2Å; Q33-W37 HydrophobicContact CG-CZ2 3.72Å
34A94.5Very high95.4Very high78 Ų7870.2 Ų70.265%0.64538%0.375SS*.Hα-helixtrans-63.2-3417700000112.3Q30 L31 H36Q30-A34 WeakPolarHBondContact O-CB 3.33Å; Q30-A34 PolarHBondContact O-N 3.06Å; L31-A34 PolarHBondContact O-N 3.33Å; A34-H36 VanDerWaalsContact C-N 3.28Å; A34-H36 PolarHBondContact O-N 2.91Å
35A95Very high95Very high14 Ų1469.1 Ų69.112%0.11637%0.366CS..THydrogen-bonded Turntrans-86.715.717700000113.6L31 L32 Q33 W37 Q38 T41 A42L31-A35 VanDerWaalsContact O-CB 3.27Å; L31-A35 WeakPolarHBondContact O-CB 3.08Å; L31-A35 PolarHBondContact O-N 2.86Å; L32-A35 CarbonylContact O-C 3.57Å; L32-A35 PolarHBondContact O-N 3.44Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 3.46Å; A35-W37 PolarHBondContact O-N 2.83Å; A35-Q38 WeakPolarHBondContact O-CB 3.29Å; A35-Q38 VanDerWaalsContact O-CG 3.25Å; A35-Q38 WeakPolarHBondContact O-CG 3.29Å; A35-Q38 PolarHBondContact O-N 3.08Å; A35-T41 HydrophobicContact CB-CG2 4.32Å; A35-A42 HydrophobicContact CB-CB 3.78Å
36H94.9Very high94.8Very high160 Ų16068.6 Ų68.674%0.74136%0.355SS*.THydrogen-bonded Turntrans52.339-176.9-59.8-83.2000113.6L32 Q33 A34 Q38L32-H36 PolarHBondContact O-N 3.03Å; Q33-H36 PolarHBondContact O-N 3.19Å; A34-H36 VanDerWaalsContact C-N 3.28Å; A34-H36 PolarHBondContact O-N 2.91Å; H36-Q38 PolarHBondContact O-N 3.01Å
37W95.8Very high94.4Very high58 Ų5868.2 Ų68.222%0.2235%0.348CS..THydrogen-bonded Turntrans57.825-175.4-5799.4000114.3H10 M13 I14 L32 Q33 A35 F39H10-W37 HydrophobicContact CB-CD2 4.43Å; H10-W37 HydrophobicContact CB-CE3 4.07Å; H10-W37 HydrophobicContact CB-CH2 3.56Å; H10-W37 HydrophobicContact CB-CZ2 3.93Å; H10-W37 HydrophobicContact CB-CZ3 3.62Å; H10-W37 AromaticContact CD2-CD1 3.86Å; H10-W37 AromaticContact CD2-CD2 3.23Å; H10-W37 AromaticContact CD2-CE2 3.37Å; H10-W37 AromaticContact CD2-CE3 3.59Å; H10-W37 AromaticContact CD2-CG 3.58Å; H10-W37 AromaticContact CD2-CZ2 3.85Å; H10-W37 AromaticContact CD2-NE1 3.74Å; H10-W37 AromaticContact CE1-NE1 3.87Å; H10-W37 AromaticContact CG-CD2 3.88Å; H10-W37 AromaticContact CG-CE2 3.67Å; H10-W37 AromaticContact CG-CH2 3.8Å; H10-W37 AromaticContact CG-CZ2 3.64Å; H10-W37 AromaticContact CG-CZ3 3.97Å; H10-W37 AromaticContact ND1-CZ2 3.96Å; H10-W37 AromaticContact NE2-CD1 3.54Å; H10-W37 AromaticContact NE2-CD2 3.76Å; H10-W37 AromaticContact NE2-CE2 3.64Å; H10-W37 AromaticContact NE2-CG 3.7Å; H10-W37 AromaticContact NE2-NE1 3.49Å; H10-W37 PolarHBondContact NE2-NE1 3.42Å; M13-W37 HydrophobicContact CE-CB 3.72Å; M13-W37 HydrophobicContact CE-CD2 4.13Å; M13-W37 HydrophobicContact CE-CE3 3.69Å; M13-W37 HydrophobicContact CE-CG 4.18Å; M13-W37 HydrophobicContact SD-CB 4.37Å; I14-W37 HydrophobicContact CD1-CH2 4.08Å; I14-W37 HydrophobicContact CD1-CZ3 4.13Å; I14-W37 HydrophobicContact CG1-CH2 4.42Å; I14-W37 HydrophobicContact CG1-CZ3 3.99Å; L32-W37 HydrophobicContact CB-CD2 4.38Å; L32-W37 HydrophobicContact CB-CE3 3.6Å; L32-W37 HydrophobicContact CB-CZ3 3.77Å; L32-W37 HydrophobicContact CD1-CE3 4.31Å; L32-W37 HydrophobicContact CD1-CZ3 4.12Å; L32-W37 HydrophobicContact CG-CE3 4.41Å; L32-W37 VanDerWaalsContact O-CA 3.29Å; L32-W37 WeakPolarHBondContact O-CA 3.48Å; L32-W37 PolarHBondContact O-N 3.38Å; Q33-W37 HydrophobicContact CG-CH2 4.2Å; Q33-W37 HydrophobicContact CG-CZ2 3.72Å; A35-W37 PolarHBondContact O-N 2.83Å; W37-F39 PolarHBondContact O-N 2.88Å
38Q95Very high93.6Very high114 Ų11469.7 Ų69.753%0.53336%0.355SS..  trans-82.4100.7170.3-60.9-56.5-7300109.6A35 H36 E40 T41 A42A35-Q38 WeakPolarHBondContact O-CB 3.29Å; A35-Q38 VanDerWaalsContact O-CG 3.25Å; A35-Q38 WeakPolarHBondContact O-CG 3.29Å; A35-Q38 PolarHBondContact O-N 3.08Å; H36-Q38 PolarHBondContact O-N 3.01Å; Q38-E40 PolarHBondContact O-N 3.06Å; Q38-T41 WeakPolarHBondContact CB-OG1 3.31Å; Q38-T41 PolarHBondContact O-N 2.91Å; Q38-A42 WeakPolarHBondContact O-CB 3.23Å; Q38-A42 PolarHBondContact O-N 3.42Å
39F95.8Very high92Very high53 Ų5377 Ų7723%0.23239%0.389CS..Hα-helixtrans-57.3-47.1-174.4-175-99.5000113.3Q16 F17 L32 W37 A42 L43Q16-F39 HydrophobicContact CB-CE2 3.92Å; Q16-F39 HydrophobicContact CB-CZ 4.21Å; Q16-F39 HydrophobicContact CG-CE1 4.36Å; Q16-F39 HydrophobicContact CG-CE2 3.79Å; Q16-F39 HydrophobicContact CG-CZ 3.57Å; F17-F39 HydrophobicContact CB-CE2 3.92Å; F17-F39 HydrophobicContact CD2-CD2 4.36Å; F17-F39 HydrophobicContact CD2-CE2 4.09Å; F17-F39 HydrophobicContact CG-CE2 4.49Å; L32-F39 HydrophobicContact CD2-CD2 4.22Å; W37-F39 PolarHBondContact O-N 2.88Å; F39-A42 PolarHBondContact O-N 2.8Å; F39-L43 HydrophobicContact CD1-CD1 3.89Å; F39-L43 HydrophobicContact CE1-CD1 3.26Å; F39-L43 HydrophobicContact CE1-CG 4.14Å; F39-L43 HydrophobicContact CZ-CD1 3.62Å; F39-L43 HydrophobicContact CZ-CG 4.18Å; F39-L43 PolarHBondContact O-N 3.48Å
40E94.8Very high90Very high158 Ų15878.5 Ų78.574%0.73841%0.406SS*.Hα-helixtrans-66.4-39.9179.7-65.8179.691.300112.2Q38 L43 S44Q38-E40 PolarHBondContact O-N 3.06Å; E40-L43 PolarHBondContact O-N 2.87Å; E40-S44 VanDerWaalsContact O-CB 3.31Å; E40-S44 WeakPolarHBondContact O-CB 3.36Å; E40-S44 PolarHBondContact O-N 3.37Å; E40-S44 PolarHBondContact O-OG 3.36Å
41T93.6Very high88Confident79 Ų7977.6 Ų77.649%0.48541%0.406SS..Hα-helixtrans-65-43.1175.8-52.20000111.2A35 Q38 S44 A45A35-T41 HydrophobicContact CB-CG2 4.32Å; Q38-T41 WeakPolarHBondContact CB-OG1 3.31Å; Q38-T41 PolarHBondContact O-N 2.91Å; T41-S44 PolarHBondContact O-N 3.37Å; T41-A45 WeakPolarHBondContact O-CB 3.33Å; T41-A45 PolarHBondContact O-N 3.35Å
42A95.1Very high85.9Confident0 Ų083 Ų830%043%0.433CS..Hα-helixtrans-64.3-42.9177.700000111.8F17 L31 L32 A35 Q38 F39 A45 F46F17-A42 HydrophobicContact CD2-CB 4.24Å; F17-A42 HydrophobicContact CE2-CB 3.57Å; F17-A42 HydrophobicContact CZ-CB 4.44Å; L31-A42 HydrophobicContact CB-CB 4.49Å; L32-A42 HydrophobicContact CD2-CB 3.97Å; L32-A42 HydrophobicContact CG-CB 4.45Å; A35-A42 HydrophobicContact CB-CB 3.78Å; Q38-A42 WeakPolarHBondContact O-CB 3.23Å; Q38-A42 PolarHBondContact O-N 3.42Å; F39-A42 PolarHBondContact O-N 2.8Å; A42-A45 PolarHBondContact O-N 3.17Å; A42-F46 WeakPolarHBondContact O-CB 3.44Å; A42-F46 PolarHBondContact O-N 2.96Å
43L95.3Very high83.7Confident26 Ų2688.8 Ų88.814%0.13647%0.47CS..Hα-helixtrans-64.7-44.4176.4-81178.3000111F17 T20 A21 F39 E40 A45 F46 F47F17-L43 HydrophobicContact CD2-CD2 3.98Å; F17-L43 HydrophobicContact CD2-CG 4.15Å; F17-L43 HydrophobicContact CE2-CB 4.46Å; F17-L43 HydrophobicContact CE2-CD2 3.71Å; F17-L43 HydrophobicContact CE2-CG 3.89Å; F17-L43 HydrophobicContact CZ-CD2 4.04Å; T20-L43 HydrophobicContact CG2-CD1 4.09Å; T20-L43 HydrophobicContact CG2-CD2 4.07Å; A21-L43 HydrophobicContact CB-CD2 4.15Å; F39-L43 HydrophobicContact CD1-CD1 3.89Å; F39-L43 HydrophobicContact CE1-CD1 3.26Å; F39-L43 HydrophobicContact CE1-CG 4.14Å; F39-L43 HydrophobicContact CZ-CD1 3.62Å; F39-L43 HydrophobicContact CZ-CG 4.18Å; F39-L43 PolarHBondContact O-N 3.48Å; E40-L43 PolarHBondContact O-N 2.87Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.43Å; L43-F46 PolarHBondContact O-N 3.15Å; L43-F47 HydrophobicContact CD2-CE2 4.06Å; L43-F47 WeakPolarHBondContact O-CD2 3.35Å; L43-F47 PolarHBondContact O-N 2.88Å
44S91.9Very high81.5Confident60 Ų6093.9 Ų93.942%0.4249%0.487SS..Hα-helixtrans-58.9-47.8175.9-57.70000110E40 T41 F47 Q48E40-S44 VanDerWaalsContact O-CB 3.31Å; E40-S44 WeakPolarHBondContact O-CB 3.36Å; E40-S44 PolarHBondContact O-N 3.37Å; E40-S44 PolarHBondContact O-OG 3.36Å; T41-S44 PolarHBondContact O-N 3.37Å; S44-F47 PolarHBondContact O-N 3.38Å; S44-Q48 WeakPolarHBondContact O-CB 3.27Å; S44-Q48 WeakPolarHBondContact O-CG 3.32Å; S44-Q48 PolarHBondContact O-N 3.46Å; S44-Q48 PolarHBondContact O-NE2 2.85Å
45A89.3Confident79.2Confident39 Ų3994.7 Ų94.732%0.32249%0.488SS..Hα-helixtrans-61.2-45.5178.400000111.9T41 A42 L43 F47 Q48 E49T41-A45 WeakPolarHBondContact O-CB 3.33Å; T41-A45 PolarHBondContact O-N 3.35Å; A42-A45 PolarHBondContact O-N 3.17Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.43Å; A45-F47 VanDerWaalsContact C-N 3.35Å; A45-F47 PolarHBondContact O-N 3.39Å; A45-Q48 CarbonylContact O-C 3.45Å; A45-Q48 PolarHBondContact O-N 2.88Å; A45-E49 WeakPolarHBondContact O-CB 3.31Å; A45-E49 PolarHBondContact O-N 2.99Å
46F91.3Very high77.2Confident38 Ų38102.1 Ų102.117%0.16752%0.52CS..Hα-helixtrans-58.9-42.3178.6176.2-95.6000113.1F17 A21 C23 L31 A42 L43F17-F46 HydrophobicContact CE1-CB 4.48Å; F17-F46 HydrophobicContact CE1-CD2 4.22Å; F17-F46 HydrophobicContact CE1-CG 4.24Å; F17-F46 HydrophobicContact CZ-CB 3.79Å; F17-F46 HydrophobicContact CZ-CD2 4.34Å; F17-F46 HydrophobicContact CZ-CG 4.04Å; A21-F46 HydrophobicContact CB-CD1 3.9Å; A21-F46 HydrophobicContact CB-CE1 3.61Å; A21-F46 HydrophobicContact CB-CZ 3.99Å; C23-F46 HydrophobicContact CB-CE2 3.86Å; C23-F46 HydrophobicContact CB-CZ 3.98Å; L31-F46 HydrophobicContact CD1-CB 4.16Å; L31-F46 HydrophobicContact CD1-CD2 3.53Å; L31-F46 HydrophobicContact CD1-CE2 4.4Å; L31-F46 HydrophobicContact CD1-CG 4.28Å; A42-F46 WeakPolarHBondContact O-CB 3.44Å; A42-F46 PolarHBondContact O-N 2.96Å; L43-F46 PolarHBondContact O-N 3.15Å
47F87.9Confident75.2Confident115 Ų115102.7 Ų102.750%0.50452%0.522SS..Hα-helixtrans-80.2-26.3177-67.4-59.6000113.2L43 S44 A45 T50L43-F47 HydrophobicContact CD2-CE2 4.06Å; L43-F47 WeakPolarHBondContact O-CD2 3.35Å; L43-F47 PolarHBondContact O-N 2.88Å; S44-F47 PolarHBondContact O-N 3.38Å; A45-F47 VanDerWaalsContact C-N 3.35Å; A45-F47 PolarHBondContact O-N 3.39Å; F47-T50 PolarHBondContact O-OG1 3.47Å
48Q79Confident73.1Confident117 Ų117108.6 Ų108.655%0.54755%0.552SS.*Hα-helixtrans-76-24.3173.4-74.8170.4105.800112.9S44 A45 T50 N51S44-Q48 WeakPolarHBondContact O-CB 3.27Å; S44-Q48 WeakPolarHBondContact O-CG 3.32Å; S44-Q48 PolarHBondContact O-N 3.46Å; S44-Q48 PolarHBondContact O-NE2 2.85Å; A45-Q48 CarbonylContact O-C 3.45Å; A45-Q48 PolarHBondContact O-N 2.88Å; Q48-T50 PolarHBondContact O-N 3.44Å; Q48-N51 CarbonylContact O-C 3.56Å; Q48-N51 PolarHBondContact O-N 2.94Å
49E62.8Low70.8Confident154 Ų154109.3 Ų109.372%0.7256%0.555SS**THydrogen-bonded Turntrans-66.3-3.6-178.5-165.3137.349.900113.2A45A45-E49 WeakPolarHBondContact O-CB 3.31Å; A45-E49 PolarHBondContact O-N 2.99Å
50T55Low68.7Low127 Ų127115.9 Ų115.978%0.77959%0.586SS**THydrogen-bonded Turntrans-114.11.4169.459.50000114.7F47 Q48F47-T50 PolarHBondContact O-OG1 3.47Å; Q48-T50 PolarHBondContact O-N 3.44Å
51N54.3Low67.1Low114 Ų114114.1 Ų114.161%0.6158%0.58SS**SBendtrans-154125.5178-150.9-33.3000112.9Q48Q48-N51 CarbonylContact O-C 3.56Å; Q48-N51 PolarHBondContact O-N 2.94Å
52I50.8Low65.7Low139 Ų139118.1 Ų118.171%0.71360%0.595SS**  trans81.7107.9167.9-30.6169.9000116.2Y54I52-Y54 PolarHBondContact O-N 3.47Å
53P50.2Low64Low120 Ų120124.1 Ų124.178%0.77964%0.636SS**  trans-65.1118.9168.526.7-31.2000109.8S55P53-S55 PolarHBondContact O-N 2.9Å; P53-S55 VanDerWaalsContact O-N 3.08Å
54Y49.3Very low62.1Low209 Ų209129.2 Ų129.282%0.8267%0.668SS**  trans-62.3111.5167-157.3-98000107.8I52 H56I52-Y54 PolarHBondContact O-N 3.47Å; Y54-H56 PolarHBondContact O-N 3.34Å
55S47Very low60.5Low95 Ų95131.8 Ų131.866%0.66468%0.683SS**  trans-59.197.4-174.7-169.70000111.2P53P53-S55 PolarHBondContact O-N 2.9Å; P53-S55 VanDerWaalsContact O-N 3.08Å
56H51.8Low58.8Low169 Ų169134.3 Ų134.378%0.78270%0.704SS**  trans-89.7124.5156.7-88.2-2.1000108.8Y54Y54-H56 PolarHBondContact O-N 3.34Å
57H52.4Low56.8Low172 Ų172139 Ų13980%0.79673%0.731SS**SBendtrans-54.3147.8-169.1-76.941.2000112.4
58H51.8Low55.3Low182 Ų182139.4 Ų139.484%0.84374%0.743SS**SBendtrans94.3100.2158.6-135.7-109.7000116.2
59H47Very low54Low130 Ų130139.1 Ų139.160%0.60275%0.751SS**  trans79.966.3141.7-149.6-94.4000118.9M61H59-M61 WeakPolarHBondContact NE2-CE 3.37Å
60Q53.2Low53.6Low190 Ų190135.8 Ų135.889%0.88875%0.75SS**  trans-130.393.2147.1-81.2-75.488.800108.7
61M59.8Low53.8Low121 Ų121135.6 Ų135.660%0.59675%0.749SS**  trans-59.5140.3167.2-57-177.4-146.100109.4H59H59-M61 WeakPolarHBondContact NE2-CE 3.37Å
62M65.1Low53.7Low163 Ų163135.5 Ų135.580%0.80375%0.754SS**  trans73.999.3160.8-46.8-55.7146.700117.5
63C58.2Low54.2Low127 Ų127134 Ų13486%0.85875%0.754SS**  177.599.3122.5-87.80000109
64T56Low54.9Low132 Ų132133.7 Ų133.781%0.8175%0.746SS**  trans-57.4134.316433.30000109.2A66T64-A66 PolarHBondContact O-N 3.46Å
65P58.2Low56.1Low114 Ų114131.6 Ų131.674%0.7474%0.741SS**  trans-59.1108.7167.1-1829.5000108N67P65-N67 PolarHBondContact O-N 3.47Å
66A54.3Low57.4Low92 Ų92130.5 Ų130.576%0.7673%0.732SS**  trans-70.478.5166.600000108.1T64T64-A66 PolarHBondContact O-N 3.46Å
67N48.8Very low58.6Low136 Ų136127 Ų12773%0.72772%0.718SS**  trans-122.978.3157.7-75.5-68.3000105.9P65 P69P65-N67 PolarHBondContact O-N 3.47Å; N67-P69 WeakPolarHBondContact O-CD 3.31Å
68T56.6Low59.8Low125 Ų125120.1 Ų120.177%0.76769%0.692SS**  trans-64.6104.3157.8-25.10000105.7A70T68-A70 PolarHBondContact O-N 3.38Å
69P50.9Low61.2Low110 Ų110116 Ų11671%0.71468%0.675SS**  trans-59.2117.3148.427.8-29.9000103.7N67 T71N67-P69 WeakPolarHBondContact O-CD 3.31Å; P69-T71 PolarHBondContact O-N 2.92Å; P69-T71 VanDerWaalsContact O-N 3.12Å
70A55.7Low62.8Low84 Ų84113.3 Ų113.369%0.69467%0.668SS**  trans-38126.3168.400000107.7T68 P72T68-A70 PolarHBondContact O-N 3.38Å; A70-P72 VanDerWaalsContact O-N 3.12Å
71T58.4Low64Low124 Ų124109.3 Ų109.376%0.76165%0.651SS**  trans-13112.4166.5-38.20000110.1P69 P73P69-T71 PolarHBondContact O-N 2.92Å; P69-T71 VanDerWaalsContact O-N 3.12Å; T71-P73 VanDerWaalsContact O-N 3.15Å
72P52.7Low64.7Low111 Ų111110.6 Ų110.672%0.72165%0.653SS**PPolyproline II helixtrans-51.2129.7-175.719.2-30.8000108.2A70 N74A70-P72 VanDerWaalsContact O-N 3.12Å; P72-N74 PolarHBondContact O-N 3.4Å
73P59.9Low65.3Low108 Ų108107 Ų10770%0.70165%0.645SS**PPolyproline II helixtrans-53.4129.8-172.421.1-32.4000108.7T71 F75T71-P73 VanDerWaalsContact O-N 3.15Å; P73-F75 PolarHBondContact O-N 2.83Å; P73-F75 VanDerWaalsContact O-N 3.13Å
74N65.7Low66.1Low114 Ų114111 Ų11161%0.6164%0.641SS**PPolyproline II helixtrans-46.4119.4-173.3-172.425.8000110.7P72 P76 D77 A78P72-N74 PolarHBondContact O-N 3.4Å; N74-P76 VanDerWaalsContact C-N 3.28Å; N74-P76 VanDerWaalsContact CG-CD 3.49Å; N74-P76 VanDerWaalsContact O-N 3.11Å; N74-P76 WeakPolarHBondContact OD1-CD 3.45Å; N74-D77 PolarHBondContact O-N 2.74Å; N74-A78 PolarHBondContact O-N 2.91Å
75F73.8Confident66.9Low164 Ų164111.2 Ų111.272%0.71964%0.637SS**Hα-helixtrans-48.9-38.3-172.7-174.3-98.5000114.6P73 L79P73-F75 PolarHBondContact O-N 2.83Å; P73-F75 VanDerWaalsContact O-N 3.13Å; F75-L79 HydrophobicContact CE1-CD2 4.44Å; F75-L79 VanDerWaalsContact O-CB 3.26Å; F75-L79 WeakPolarHBondContact O-CB 3.45Å; F75-L79 PolarHBondContact O-N 2.89Å; F75-L79 VanDerWaalsContact O-N 3.11Å
76P75.4Confident67.4Low73 Ų73114.2 Ų114.247%0.47464%0.639SS.*Hα-helixtrans-66.1-36.5176.7-2134.5000114.3N74 T80N74-P76 VanDerWaalsContact C-N 3.28Å; N74-P76 VanDerWaalsContact CG-CD 3.49Å; N74-P76 VanDerWaalsContact O-N 3.11Å; N74-P76 WeakPolarHBondContact OD1-CD 3.45Å; P76-T80 PolarHBondContact O-N 2.99Å; P76-T80 VanDerWaalsContact O-N 3.08Å; P76-T80 PolarHBondContact O-OG1 3Å
77D76.7Confident67.4Low94 Ų94114 Ų11450%0.50364%0.637SS.*Hα-helixtrans-79-40.5-173.9-147.935.8000110.4N74 L79 T80 M81N74-D77 PolarHBondContact O-N 2.74Å; D77-L79 PolarHBondContact O-N 2.94Å; D77-T80 WeakPolarHBondContact O-CB 3.26Å; D77-T80 PolarHBondContact O-N 3.49Å; D77-M81 WeakPolarHBondContact O-CG 3.19Å; D77-M81 PolarHBondContact O-N 3.12Å
78A76.6Confident67.5Low28 Ų28112.8 Ų112.823%0.23164%0.639CS.*Hα-helixtrans-61.5-42.7171.600000112N74 T80 M81 F82N74-A78 PolarHBondContact O-N 2.91Å; A78-T80 VanDerWaalsContact C-N 3.29Å; A78-T80 PolarHBondContact O-N 3.18Å; A78-M81 WeakPolarHBondContact O-CB 3.29Å; A78-M81 PolarHBondContact O-N 2.92Å; A78-F82 VanDerWaalsContact O-CD2 3.22Å; A78-F82 WeakPolarHBondContact O-CD2 3.48Å; A78-F82 PolarHBondContact O-N 2.87Å
79L82.8Confident67.3Low95 Ų95114.2 Ų114.250%0.49764%0.637SS.*Hα-helixtrans-63.1-36.5176.4-172.963.4000112.1F75 D77 F82 S83F75-L79 HydrophobicContact CE1-CD2 4.44Å; F75-L79 VanDerWaalsContact O-CB 3.26Å; F75-L79 WeakPolarHBondContact O-CB 3.45Å; F75-L79 PolarHBondContact O-N 2.89Å; F75-L79 VanDerWaalsContact O-N 3.11Å; D77-L79 PolarHBondContact O-N 2.94Å; L79-F82 PolarHBondContact O-N 3.35Å; L79-S83 PolarHBondContact O-N 3.3Å; L79-S83 VanDerWaalsContact O-N 3.08Å; L79-S83 PolarHBondContact O-OG 3.48Å
80T79.1Confident67.4Low75 Ų75113.2 Ų113.246%0.4663%0.633SS.*Hα-helixtrans-66.3-39.8174.1-58.70000111.5P76 D77 A78 S83 R84P76-T80 PolarHBondContact O-N 2.99Å; P76-T80 VanDerWaalsContact O-N 3.08Å; P76-T80 PolarHBondContact O-OG1 3Å; D77-T80 WeakPolarHBondContact O-CB 3.26Å; D77-T80 PolarHBondContact O-N 3.49Å; A78-T80 VanDerWaalsContact C-N 3.29Å; A78-T80 PolarHBondContact O-N 3.18Å; T80-S83 PolarHBondContact O-N 3.45Å; T80-R84 WeakPolarHBondContact O-CG 3.45Å; T80-R84 PolarHBondContact O-N 3.26Å; T80-R84 VanDerWaalsContact O-N 3.12Å
81M78.4Confident67Low105 Ų105117.5 Ų117.552%0.51764%0.636SS.*Hα-helixtrans-63.5-43.3175.3-68.3-179.2-166.800112.5D77 A78 S83 R84 L85D77-M81 WeakPolarHBondContact O-CG 3.19Å; D77-M81 PolarHBondContact O-N 3.12Å; A78-M81 WeakPolarHBondContact O-CB 3.29Å; A78-M81 PolarHBondContact O-N 2.92Å; M81-S83 VanDerWaalsContact C-N 3.3Å; M81-S83 PolarHBondContact O-N 3.31Å; M81-R84 WeakPolarHBondContact O-CB 3.25Å; M81-R84 PolarHBondContact O-N 2.95Å; M81-L85 PolarHBondContact O-N 3.5Å
82F74.8Confident66.7Low148 Ų148119.8 Ų119.865%0.64964%0.637SS**Hα-helixtrans-61.5-38.4173.4-78-67.5000112.4A78 L79 R84 L85A78-F82 VanDerWaalsContact O-CD2 3.22Å; A78-F82 WeakPolarHBondContact O-CD2 3.48Å; A78-F82 PolarHBondContact O-N 2.87Å; L79-F82 PolarHBondContact O-N 3.35Å; F82-R84 VanDerWaalsContact C-N 3.26Å; F82-R84 PolarHBondContact O-N 3.46Å; F82-L85 PolarHBondContact O-N 2.95Å; F82-L85 VanDerWaalsContact O-N 3.11Å
83S78.9Confident66.2Low89 Ų89120.4 Ų120.462%0.62264%0.644SS**Hα-helixtrans-66.1-27.6177.6-58.20000113L79 T80 M81L79-S83 PolarHBondContact O-N 3.3Å; L79-S83 VanDerWaalsContact O-N 3.08Å; L79-S83 PolarHBondContact O-OG 3.48Å; T80-S83 PolarHBondContact O-N 3.45Å; M81-S83 VanDerWaalsContact C-N 3.3Å; M81-S83 PolarHBondContact O-N 3.31Å
84R74.6Confident65.6Low209 Ų209118.8 Ų118.879%0.78965%0.647SS**Hα-helixtrans-72.4-28.7173-73.2175.4139.6175.7-4.4112.7T80 M81 F82 K86T80-R84 WeakPolarHBondContact O-CG 3.45Å; T80-R84 PolarHBondContact O-N 3.26Å; T80-R84 VanDerWaalsContact O-N 3.12Å; M81-R84 WeakPolarHBondContact O-CB 3.25Å; M81-R84 PolarHBondContact O-N 2.95Å; F82-R84 VanDerWaalsContact C-N 3.26Å; F82-R84 PolarHBondContact O-N 3.46Å; R84-K86 PolarHBondContact O-N 2.94Å
85L73Confident64.9Low137 Ų137117 Ų11772%0.71766%0.656SS**  trans-81.356.8176.8-60.5170.8000110.6M81 F82 A87M81-L85 PolarHBondContact O-N 3.5Å; F82-L85 PolarHBondContact O-N 2.95Å; F82-L85 VanDerWaalsContact O-N 3.11Å; L85-A87 PolarHBondContact O-N 3.27Å
86K67.8Low63.7Low178 Ų178115.3 Ų115.377%0.77466%0.664SS**  trans-74.4119.3163.4-178.9-168.5170.386.30107.3R84 S88R84-K86 PolarHBondContact O-N 2.94Å; K86-S88 PolarHBondContact O-N 2.98Å
87A54.1Low62.5Low87 Ų87114.7 Ų114.772%0.71967%0.672SS**  trans-57.9108.6165.600000107.9L85 E89L85-A87 PolarHBondContact O-N 3.27Å; A87-E89 PolarHBondContact O-N 3.38Å
88S51.7Low60.8Low111 Ų111116 Ų11678%0.77669%0.688SS**  trans-67.378.5167.853.90000108.4K86 S90K86-S88 PolarHBondContact O-N 2.98Å; S88-S90 PolarHBondContact O-N 3.34Å
89E51.8Low59.8Low154 Ų154120.8 Ų120.872%0.7272%0.717SS**  trans-80.680155.9-169.8166.877.900107.2A87 F91A87-E89 PolarHBondContact O-N 3.38Å; E89-F91 HydrophobicContact CG-CD2 3.22Å; E89-F91 HydrophobicContact CG-CE2 3.62Å; E89-F91 HydrophobicContact CG-CG 4.15Å; E89-F91 VanDerWaalsContact OE2-CD2 3.27Å; E89-F91 WeakPolarHBondContact OE2-CD2 3.41Å; E89-F91 WeakPolarHBondContact OE2-CE2 3.47Å
90S53.8Low58.1Low90 Ų90125.9 Ų125.963%0.62974%0.741SS**  trans-10271.5156.8-170.40000106.3S88 H92S88-S90 PolarHBondContact O-N 3.34Å; S90-H92 PolarHBondContact O-N 3.41Å
91F47.5Very low56.4Low173 Ų173127 Ų12776%0.75976%0.758SS**  trans-76.879.1165.3-73.6-58.5000108.5E89E89-F91 HydrophobicContact CG-CD2 3.22Å; E89-F91 HydrophobicContact CG-CE2 3.62Å; E89-F91 HydrophobicContact CG-CG 4.15Å; E89-F91 VanDerWaalsContact OE2-CD2 3.27Å; E89-F91 WeakPolarHBondContact OE2-CD2 3.41Å; E89-F91 WeakPolarHBondContact OE2-CE2 3.47Å
92H52.2Low54.9Low172 Ų172126.4 Ų126.480%0.79677%0.769SS**  trans-95.492.7149.5-75.2-96000107.6S90S90-H92 PolarHBondContact O-N 3.41Å
93S42.6Very low53.6Low124 Ų124126 Ų12687%0.86778%0.779SS**  trans-173.2129.8141.8-163.70000109.7
94G47Very low52Low74 Ų74126.6 Ų126.676%0.76379%0.789SS**  trans-87.3169.7-160.400000117.1
95G50.8Low50.8Low76 Ų76122.9 Ų122.978%0.78479%0.79SS**  trans87.6132131.900000118.3
96S48.1Very low49.1Very low129 Ų129121.9 Ų121.990%0.90279%0.794SS**  trans85115.6165.7-153.40000114.6
97G49.4Very low48.6Very low61 Ų61119.1 Ų119.163%0.62979%0.794SS**  cis108.292.823.600000110
98S42.4Very low48.4Very low120 Ų120119.7 Ų119.784%0.83979%0.791SS**  trans161.3135.8138.7-75.60000113.3
99P54.5Low48.3Very low130 Ų130120 Ų12084%0.84479%0.79SS**  trans-94.7143.9164.135.8-26.9000110.2
100M48.1Very low48Very low202 Ų202120.9 Ų120.9100%0.99579%0.794SS**  trans-132.2141.3169.6-155.3176.8161.300112.4
101A42.5Very low47.6Very low99 Ų99125.9 Ų125.982%0.81881%0.805SS**  trans-92.7172.2-151.100000115.8
102A46.8Very low47.7Very low92 Ų92123.8 Ų123.876%0.7681%0.808SS**  trans-47.8150.6-178.500000118.2
103T48.9Very low47Very low140 Ų140124.6 Ų124.686%0.85981%0.812SS**  trans-151.8111.5133.943.20000110.2
104A45.4Very low46.5Very low100 Ų100122.7 Ų122.783%0.82680%0.804SS**  trans-101.5127.116700000107.7
105T48Very low46Very low132 Ų132123.7 Ų123.781%0.8181%0.805SS**  trans-122.6101.9176.463.40000109.5
106S37.9Very low45.4Very low116 Ų116126.6 Ų126.681%0.81181%0.807SS**PPolyproline II helixtrans-100.4137.1165.3-65.70000109.3
107P56.9Low44.9Very low119 Ų119124.9 Ų124.977%0.77380%0.796SS**PPolyproline II helixtrans-87.3149.6165.931.7-29.5000112.2
108P51.1Low44.7Very low100 Ų100126.7 Ų126.765%0.64980%0.799SS**PPolyproline II helixtrans-85.9161.7-177.734.9-34.4000113.6
109P49.2Very low44.5Very low116 Ų116130.8 Ų130.875%0.75380%0.802SS**PPolyproline II helixtrans-87136.3178.934-31000112.1
110H44.7Very low44.2Very low174 Ų174129.9 Ų129.981%0.80681%0.805SS**  trans-108.2126.8170.5-75.7-88.8000110.3
111F45.2Very low43.8Very low195 Ų195124.3 Ų124.386%0.85579%0.791SS**  trans-95.8146.5162.2-76.7-87000109.7
112P49.8Very low43.6Very low129 Ų129125.8 Ų125.884%0.83880%0.796SS**  -134.9165.2126.336.2-23.8000113.7
113H36.9Very low43.4Very low189 Ų189126.8 Ų126.888%0.87580%0.797SS**  trans-92.3154.5-159.7-166.6-127.1000113.1
114A33.8Very low43.1Very low83 Ų83131.5 Ų131.569%0.68680%0.799SS**  trans103.9118.7146.500000120.8
115A36.4Very low43.5Very low95 Ų95132.9 Ų132.979%0.78580%0.8SS**  trans92.1120.2137.300000120.3
116T38.5Very low43.5Very low137 Ų137133.1 Ų133.184%0.8480%0.801SS**  trans107.2134.8140.1-143.10000119.2
117S37.4Very low43.8Very low94 Ų94132.1 Ų132.166%0.65780%0.8SS**  trans68.2103.8167.554.20000119.9
118S43.7Very low43Very low99 Ų99131 Ų13169%0.69280%0.8SS**  15.6127.6125.3-44.20000117.4
119F39.1Very low42.4Very low206 Ų206131.8 Ų131.890%0.90481%0.808SS**  -173.6138.8119-76-62000108.3A121F119-A121 PolarHBondContact O-N 3.36Å
120A47.7Very low42.8Very low110 Ų110131.8 Ų131.891%0.90981%0.808SS**  trans-62.4128.7-176.600000112.3
121A39.3Very low42.9Very low85 Ų85129.9 Ų129.970%0.70281%0.811SS**  trans-143114.2159.100000108.8F119 S123F119-A121 PolarHBondContact O-N 3.36Å; A121-S123 PolarHBondContact O-N 2.72Å; A121-S123 PolarHBondContact O-OG 3.33Å
122S40Very low42.6Very low131 Ų131124.8 Ų124.892%0.91681%0.814SS**  trans-57.7102.6175.8-54.80000110.2
123S41.7Very low41.9Very low112 Ų112122 Ų12278%0.78381%0.809SS**  trans-96126.7175.8-64.60000109.4A121A121-S123 PolarHBondContact O-N 2.72Å; A121-S123 PolarHBondContact O-OG 3.33Å
124W42.8Very low42.6Very low240 Ų240119.2 Ų119.291%0.90981%0.807SS**  trans-57143.9177-62.3-35.8000112.1T126W124-T126 PolarHBondContact O-N 3.38Å; W124-T126 VanDerWaalsContact O-N 3.12Å
125P54.5Low42.9Very low129 Ų129123.7 Ų123.784%0.83881%0.814SS**  trans-79.895.2169.930.6-30.4000110.4A127P125-A127 PolarHBondContact O-N 3.29Å
126T46.9Very low43.4Very low136 Ų136126.8 Ų126.883%0.83481%0.812SS**  trans-73.3101.6151.9-70.50000107.1W124W124-T126 PolarHBondContact O-N 3.38Å; W124-T126 VanDerWaalsContact O-N 3.12Å
127A43.4Very low43.5Very low96 Ų96128.6 Ų128.679%0.79381%0.81SS**PPolyproline II helixtrans-74.7126.2174.800000110.2P125P125-A127 PolarHBondContact O-N 3.29Å
128A40.4Very low43.6Very low94 Ų94130.8 Ų130.878%0.77781%0.81SS**PPolyproline II helixtrans-71.6145.2-172.200000114
129S40.1Very low43.6Very low117 Ų117132 Ų13282%0.81882%0.816SS**PPolyproline II helixtrans-75.5144.2161.4-51.60000110.9
130P56.5Low44Very low117 Ų117129.2 Ų129.276%0.7681%0.805SS**PPolyproline II helixtrans-89.7158.316733.2-29.8000112.8
131P47.8Very low44.2Very low133 Ų133128.6 Ų128.686%0.86479%0.792SS**PPolyproline II helixtrans-84.3157.7-173.635-33.5000113.2
132G38Very low44.8Very low88 Ų88129.9 Ų129.991%0.90779%0.793SS**PPolyproline II helixtrans-80.4168.9-160.100000119.4
133G34.9Very low45Very low71 Ų71130.5 Ų130.573%0.73279%0.786SS**  trans-151.2153.916300000109.5
134P51.1Low45.1Very low130 Ų130136.3 Ų136.384%0.84479%0.791SS**  trans-93.8124.4-154.334.4-29.8000112.5
135Q41.2Very low45.6Very low177 Ų177130.3 Ų130.383%0.82778%0.781SS**  trans-150.6139.8158.7-87.2-70.121.200108.9
136H46.3Very low45.2Very low161 Ų161129.9 Ų129.975%0.74578%0.778SS**  trans-48.9168.4173.4-87.1-126.6000113.4
137H41Very low45.4Very low174 Ų174127.6 Ų127.681%0.80677%0.773SS**  trans111.192.7159.5-52.489.7000115.5
138Q40.2Very low46.1Very low141 Ų141128.3 Ų128.366%0.65977%0.769SS**  trans30.1124.5135.5-158.1-155.9-14.500118.7Q140Q138-Q140 PolarHBondContact O-N 2.91Å; Q138-Q140 VanDerWaalsContact O-N 3.1Å
139P42.8Very low46.5Very low123 Ų123129.9 Ų129.980%0.79977%0.771SS**  trans-68.6111.3164.927.7-29.2000109.3
140Q48.1Very low46.8Very low148 Ų148129.5 Ų129.569%0.69277%0.769SS**PPolyproline II helixtrans-75.5132.2166.4-63.5-134.7-36.500109Q138Q138-Q140 PolarHBondContact O-N 2.91Å; Q138-Q140 VanDerWaalsContact O-N 3.1Å
141P51.3Low46.3Very low98 Ų98129.7 Ų129.764%0.63677%0.77SS**PPolyproline II helixtrans-65.8156.6164.428.8-31.9000109.7L143P141-L143 PolarHBondContact O-N 3.17Å
142P52.1Low46Very low111 Ų111128 Ų12872%0.72177%0.767SS**PPolyproline II helixtrans-56.6118.1176.523.4-31.9000109.7W144P142-W144 VanDerWaalsContact C-N 3.34Å; P142-W144 PolarHBondContact O-N 3.21Å
143L44.7Very low46.2Very low144 Ų144129.2 Ų129.275%0.75476%0.762SS**  trans-67.389.5176.1-177.566.8000108.6P141 T145P141-L143 PolarHBondContact O-N 3.17Å; L143-T145 PolarHBondContact O-N 3.41Å
144W42.8Very low46.8Very low234 Ų234133.1 Ų133.189%0.88677%0.766SS**  trans-63.3106.5156.1-71.1-40.9000106.9P142P142-W144 VanDerWaalsContact C-N 3.34Å; P142-W144 PolarHBondContact O-N 3.21Å
145T53.4Low46.4Very low115 Ų115136.8 Ų136.871%0.70676%0.763SS**PPolyproline II helixtrans-53.9127168.433.90000109.8L143 A147L143-T145 PolarHBondContact O-N 3.41Å; T145-A147 PolarHBondContact O-N 3.17Å
146P46Very low47.2Very low119 Ų119132.3 Ų132.377%0.77375%0.75SS**PPolyproline II helixtrans-62.3127.2165-15.228.1000108.8
147A50.5Low47.1Very low88 Ų88130.7 Ų130.773%0.72775%0.753SS**PPolyproline II helixtrans-59144.6167.600000109.9T145T145-A147 PolarHBondContact O-N 3.17Å
148P58.8Low47.3Very low112 Ų112129.8 Ų129.873%0.72775%0.754SS**PPolyproline II helixtrans-61.7147.4172.626.6-33.3000110.4S150P148-S150 PolarHBondContact O-N 3.4Å; P148-S150 VanDerWaalsContact O-N 3.15Å
149P49.3Very low47.5Very low126 Ų126126.7 Ų126.782%0.81875%0.752SS**PPolyproline II helixtrans-64.4118.5173.626.9-32.1000109.1
150S45.5Very low47.5Very low110 Ų110127 Ų12777%0.76975%0.754SS**PPolyproline II helixtrans-59.3134165.2-56.70000108.9P148 A152P148-S150 PolarHBondContact O-N 3.4Å; P148-S150 VanDerWaalsContact O-N 3.15Å; S150-A152 PolarHBondContact O-N 3.5Å
151P47.3Very low47Very low121 Ų121128.5 Ų128.579%0.78676%0.761SS**PPolyproline II helixtrans-62.2136.8172.125.9-32000109.3S153P151-S153 PolarHBondContact O-N 3.31Å
152A41.3Very low46.3Very low97 Ų97131.8 Ų131.880%0.80277%0.768SS**PPolyproline II helixtrans-46.7121.917500000110S150 D154S150-A152 PolarHBondContact O-N 3.5Å; A152-D154 VanDerWaalsContact C-N 3.32Å; A152-D154 PolarHBondContact O-N 2.92Å
153S42Very low45.5Very low113 Ų113130.8 Ų130.879%0.7977%0.769SS**  trans-63.8101.6164.2-74.90000107.8P151 W155P151-S153 PolarHBondContact O-N 3.31Å; S153-W155 VanDerWaalsContact C-N 3.3Å; S153-W155 PolarHBondContact O-N 3.36Å
154D47.8Very low45.2Very low153 Ų153129.2 Ų129.282%0.81877%0.766SS**  trans-52.690.6162-165.1-99.5000108.6A152A152-D154 VanDerWaalsContact C-N 3.32Å; A152-D154 PolarHBondContact O-N 2.92Å
155W41.3Very low45.1Very low208 Ų208123.3 Ų123.379%0.78876%0.76SS**  trans-84.7125.4166.6-154.7-88.9000106.6S153S153-W155 VanDerWaalsContact C-N 3.3Å; S153-W155 PolarHBondContact O-N 3.36Å
156P58.4Low44.4Very low83 Ų83124.8 Ų124.854%0.53976%0.759SS.*  trans-63.8140.817925.7-32.3000109.3L158P156-L158 PolarHBondContact O-N 3.33Å
157P44.3Very low44.2Very low127 Ų127125.2 Ų125.283%0.82576%0.762SS**  trans-65.2109.6171.125.7-29.7000107.8A159P157-A159 PolarHBondContact O-N 3.35Å
158L45.8Very low43.7Very low155 Ų155131.5 Ų131.581%0.81277%0.766SS**  trans-58.6111.2163.2-75166.1000106.6P156P156-L158 PolarHBondContact O-N 3.33Å
159A44.7Very low42.8Very low76 Ų76129.8 Ų129.863%0.62876%0.762SS**  trans-49.1141.6172.400000109.9P157 Q161P157-A159 PolarHBondContact O-N 3.35Å; A159-Q161 PolarHBondContact O-N 3.16Å
160P41.9Very low42.5Very low128 Ų128132.4 Ų132.483%0.83176%0.763SS**  trans-63.1106.1167.924.4-28.5000107.7Q162P160-Q162 VanDerWaalsContact C-N 3.32Å; P160-Q162 PolarHBondContact O-N 3.49Å
161Q37.9Very low42.7Very low181 Ų181133 Ų13385%0.84676%0.764SS**  trans-60.7100.3168.3-80.2-82.560.100107.3A159 A163A159-Q161 PolarHBondContact O-N 3.16Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; Q161-A163 PolarHBondContact O-N 2.94Å
162Q36.8Very low42.6Very low166 Ų166132 Ų13278%0.77677%0.765SS**  trans-52.598.5165-174.9177-88.700107.6P160 T164P160-Q162 VanDerWaalsContact C-N 3.32Å; P160-Q162 PolarHBondContact O-N 3.49Å; Q162-T164 PolarHBondContact O-N 3.44Å
163A35.6Very low43Very low90 Ų90136.3 Ų136.374%0.74477%0.771SS**  trans-6882.4168.800000108.1Q161 S165Q161-A163 VanDerWaalsContact C-N 3.34Å; Q161-A163 PolarHBondContact O-N 2.94Å; A163-S165 PolarHBondContact O-N 3.06Å
164T38.8Very low43.3Very low112 Ų112139.8 Ų139.869%0.68778%0.775SS**  trans-67.583.7161.4171.30000107.8Q162 E166Q162-T164 PolarHBondContact O-N 3.44Å; T164-E166 PolarHBondContact O-N 3.37Å
165S39.5Very low43.6Very low109 Ų109136.9 Ų136.976%0.76277%0.773SS**  trans-91.692.5162-63.60000107.5A163A163-S165 PolarHBondContact O-N 3.06Å
166E38.8Very low43.9Very low147 Ų147134.3 Ų134.369%0.68777%0.769SS**  trans-50.9129.6168.9-159.5-170.1118.200110.4T164 R168T164-E166 PolarHBondContact O-N 3.37Å; E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 PolarHBondContact O-N 3.19Å
167P41Very low43.1Very low128 Ų128144.3 Ų144.383%0.83180%0.796SS**  trans-7887.1165.729.4-28.3000108.2A169P167-A169 PolarHBondContact O-N 3.22Å
168R41.1Very low43Very low219 Ų219145.2 Ų145.283%0.82680%0.795SS**  trans-69.4114.3171.9178.9162.3158.4153.7-7.8109.3E166E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 PolarHBondContact O-N 3.19Å
169A39.3Very low42.9Very low76 Ų76144.7 Ų144.763%0.62879%0.794SS**  trans-50.6142.6179.700000114.2P167P167-A169 PolarHBondContact O-N 3.22Å
170H43.9Very low42.8Very low181 Ų181148.5 Ų148.584%0.83880%0.803SS**  trans-0135.5154.8-53.9-93000117.8
171P50.2Low42.8Very low124 Ų124149.7 Ų149.781%0.80580%0.802SS**  -110.8131.5123.330.9-28.5000110.7M173P171-M173 PolarHBondContact O-N 2.9Å
172A43.5Very low43.1Very low98 Ų98147.8 Ų147.881%0.8180%0.799SS**  trans-53.8128.4169.100000110.6
173M51.6Low43.6Very low188 Ų188146.5 Ų146.593%0.92680%0.8SS**  trans-103.6115.1155.2-83.6-178.170.600107.8P171P171-M173 PolarHBondContact O-N 2.9Å
174E48.1Very low44.1Very low186 Ų186150.6 Ų150.687%0.86981%0.805SS**  trans-51167.3160.6-171.9179.197.100112.6
175A53.2Low44.5Very low93 Ų93153.5 Ų153.577%0.76981%0.814SS**  trans98.1132.5173.400000114.4
176E46.7Very low44.9Very low153 Ų153157.3 Ų157.372%0.71582%0.818SS**  cis-173.2139.6-8.4-168.5-163.898.300103.6
177R42Very low45.5Very low294 Ų294158.2 Ų158.2100%1.10983%0.83SS**  trans82.70168.9-51.7-163.4175.9-169.9-14.8119.7

Retrieved 177 of 177 residues in 122.1 ms (Link to these results)

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