A0A096MAI0_POEFO Loading...

KH domain-containing, RNA-binding, signal transduction-associated protein 1

AlphaFold DB , UniProt , Accession A0A096MAI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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
1I43.3Very low66.8Low209 Ų209118.1 Ų118.1100%1.07259%0.586SS**  098.70-53.2173.2000105.2
2K41Very low68.8Low166 Ų166109.1 Ų109.172%0.72254%0.541SS*.  trans-91.6160.2-167.5-70.6-178.9177.61780110.2E4K2-E4 PolarHBondContact O-N 2.98Å
3M40.7Very low70.5Confident172 Ų172105.7 Ų105.785%0.84753%0.526SS*.THydrogen-bonded Turntrans-69.310.7-165.5-49.6179.9-150.900115.7T6M3-T6 VanDerWaalsContact C-OG1 3.29Å; M3-T6 PolarHBondContact O-OG1 3.11Å
4E52.5Low72Confident147 Ų147102.3 Ų102.369%0.68752%0.523SS*.THydrogen-bonded Turntrans-80.1-42-176.4-70.5156.8-152.700111.3K2 T6 K7 Y8K2-E4 PolarHBondContact O-N 2.98Å; E4-T6 PolarHBondContact O-N 3.49Å; E4-T6 VanDerWaalsContact O-N 3.15Å; E4-K7 PolarHBondContact O-N 3.37Å; E4-Y8 PolarHBondContact O-N 3.09Å
5D55.8Low73.4Confident101 Ų101102.6 Ų102.654%0.5452%0.521SS..Hα-helixtrans-57.6-32.6178.2-69.2-41.7000112.4K7D5-K7 VanDerWaalsContact C-N 3.3Å; D5-K7 PolarHBondContact O-N 2.92Å
6T63.1Low74.4Confident112 Ų112100 Ų10069%0.68751%0.505SS*.Hα-helixtrans-69.4-20.417826.60000114.7M3 E4M3-T6 VanDerWaalsContact C-OG1 3.29Å; M3-T6 PolarHBondContact O-OG1 3.11Å; E4-T6 PolarHBondContact O-N 3.49Å; E4-T6 VanDerWaalsContact O-N 3.15Å
7K81.1Confident75.5Confident131 Ų131101.2 Ų101.257%0.5751%0.513SS*.Hα-helixtrans-102.7-24.5179.4-163.6170179.4-88.80112.7E4 D5 P10 E11E4-K7 PolarHBondContact O-N 3.37Å; D5-K7 VanDerWaalsContact C-N 3.3Å; D5-K7 PolarHBondContact O-N 2.92Å; K7-P10 VanDerWaalsContact O-CD 3.23Å; K7-P10 WeakPolarHBondContact O-CD 3.35Å; K7-P10 VanDerWaalsContact O-CG 3.27Å; K7-P10 WeakPolarHBondContact O-CG 3.17Å; K7-E11 HydrophobicContact CG-CG 4.38Å; K7-E11 IonicContact NZ-OE1 3.64Å; K7-E11 PolarHBondContact NZ-OE1 3Å; K7-E11 VanDerWaalsContact O-CG 3.31Å; K7-E11 WeakPolarHBondContact O-CG 3.31Å; K7-E11 PolarHBondContact O-N 2.96Å
8Y87.3Confident76.4Confident68 Ų68101.1 Ų101.127%0.26752%0.523SS..Hα-helixtrans-64.8-42.1-175.5-172.5-133000114.6E4 E11 L12 E33 I37 K43E4-Y8 PolarHBondContact O-N 3.09Å; Y8-E11 PolarHBondContact O-N 3.14Å; Y8-L12 HydrophobicContact CD1-CD1 4.1Å; Y8-L12 HydrophobicContact CD2-CD1 4.34Å; Y8-L12 HydrophobicContact CD2-CG 4.38Å; Y8-L12 HydrophobicContact CE1-CD1 3.78Å; Y8-L12 HydrophobicContact CE2-CD1 4.02Å; Y8-L12 HydrophobicContact CE2-CD2 4.28Å; Y8-L12 HydrophobicContact CE2-CG 4.07Å; Y8-L12 HydrophobicContact CG-CD1 4.37Å; Y8-L12 WeakPolarHBondContact O-CG 3.47Å; Y8-L12 PolarHBondContact O-N 3.39Å; Y8-E33 HydrophobicContact CE1-CG 4.44Å; Y8-E33 PolarHBondContact OH-OE1 3.46Å; Y8-I37 HydrophobicContact CD1-CD1 3.61Å; Y8-I37 HydrophobicContact CE1-CD1 3.64Å; Y8-K43 PolarHBondContact OH-NZ 2.88Å
9L88.1Confident77.2Confident48 Ų4898.3 Ų98.325%0.25151%0.509SS..Hα-helixtrans-65.1-47.4178.8-177.5148.1000113.7E11 L12 L13 I37 Q38L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 3.07Å; L9-L12 PolarHBondContact O-N 3.35Å; L9-L13 HydrophobicContact CD2-CD1 3.69Å; L9-L13 HydrophobicContact CD2-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 3.26Å; L9-L13 VanDerWaalsContact O-N 3.1Å; L9-I37 HydrophobicContact CB-CG2 4.37Å; L9-I37 HydrophobicContact CD1-CB 4.32Å; L9-I37 HydrophobicContact CD1-CG2 3.75Å; L9-Q38 HydrophobicContact CD1-CG 4.02Å
10P90.5Very high78Confident68 Ų6897.7 Ų97.744%0.44251%0.506SS..Hα-helixtrans-66.9-28.8175.821.9-30.6000113.3K7 L13 A14K7-P10 VanDerWaalsContact O-CD 3.23Å; K7-P10 WeakPolarHBondContact O-CD 3.35Å; K7-P10 VanDerWaalsContact O-CG 3.27Å; K7-P10 WeakPolarHBondContact O-CG 3.17Å; P10-L13 PolarHBondContact O-N 2.99Å; P10-A14 PolarHBondContact O-N 3.28Å
11E91.1Very high78.5Confident77 Ų7797.5 Ų97.536%0.3651%0.513SS..Hα-helixtrans-63.7-48.7171.2-74.6171.6161.500111.7K7 Y8 L9 L13 A14 E15K7-E11 HydrophobicContact CG-CG 4.38Å; K7-E11 IonicContact NZ-OE1 3.64Å; K7-E11 PolarHBondContact NZ-OE1 3Å; K7-E11 VanDerWaalsContact O-CG 3.31Å; K7-E11 WeakPolarHBondContact O-CG 3.31Å; K7-E11 PolarHBondContact O-N 2.96Å; Y8-E11 PolarHBondContact O-N 3.14Å; L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 3.07Å; E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 3.07Å; E11-A14 PolarHBondContact O-N 2.55Å; E11-A14 VanDerWaalsContact O-N 3.12Å; E11-E15 PolarHBondContact O-N 3.42Å
12L91.2Very high80.8Confident10 Ų1091.1 Ų91.15%0.05249%0.487CS..Hα-helixtrans-61-35.7176.5-72.5167.8000113Y8 L9 K16 I30 E33 I34 I37Y8-L12 HydrophobicContact CD1-CD1 4.1Å; Y8-L12 HydrophobicContact CD2-CD1 4.34Å; Y8-L12 HydrophobicContact CD2-CG 4.38Å; Y8-L12 HydrophobicContact CE1-CD1 3.78Å; Y8-L12 HydrophobicContact CE2-CD1 4.02Å; Y8-L12 HydrophobicContact CE2-CD2 4.28Å; Y8-L12 HydrophobicContact CE2-CG 4.07Å; Y8-L12 HydrophobicContact CG-CD1 4.37Å; Y8-L12 WeakPolarHBondContact O-CG 3.47Å; Y8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.35Å; L12-K16 VanDerWaalsContact O-CB 3.31Å; L12-K16 WeakPolarHBondContact O-CB 3.15Å; L12-K16 PolarHBondContact O-N 3.4Å; L12-I30 HydrophobicContact CB-CG2 4.46Å; L12-I30 HydrophobicContact CD2-CG2 4.33Å; L12-I30 WeakPolarHBondContact O-CG2 3.3Å; L12-E33 HydrophobicContact CD1-CB 4.41Å; L12-E33 HydrophobicContact CD1-CG 3.6Å; L12-E33 HydrophobicContact CD2-CG 4.2Å; L12-I34 HydrophobicContact CB-CD1 4.25Å; L12-I34 HydrophobicContact CB-CG1 3.76Å; L12-I34 HydrophobicContact CD1-CG1 4.46Å; L12-I37 HydrophobicContact CD1-CD1 3.34Å
13L90.1Very high83.2Confident65 Ų6588.9 Ų88.934%0.3448%0.478SS..Hα-helixtrans-65-44.5173.7-72.7170.4000111.4L9 P10 E11 K16 D17 I34L9-L13 HydrophobicContact CD2-CD1 3.69Å; L9-L13 HydrophobicContact CD2-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 3.26Å; L9-L13 VanDerWaalsContact O-N 3.1Å; P10-L13 PolarHBondContact O-N 2.99Å; E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 3.07Å; L13-K16 WeakPolarHBondContact O-CB 3.33Å; L13-K16 PolarHBondContact O-N 2.62Å; L13-D17 PolarHBondContact O-N 2.87Å; L13-I34 HydrophobicContact CD2-CD1 4.01Å; L13-I34 HydrophobicContact CD2-CG2 4.27Å
14A92.8Very high85.7Confident58 Ų5884.3 Ų84.348%0.47946%0.46SS..Hα-helixtrans-64.5-39.3176.600000112.4P10 E11 D17 S18P10-A14 PolarHBondContact O-N 3.28Å; E11-A14 PolarHBondContact O-N 2.55Å; E11-A14 VanDerWaalsContact O-N 3.12Å; A14-D17 PolarHBondContact O-N 2.77Å; A14-S18 WeakPolarHBondContact O-CB 3.35Å; A14-S18 PolarHBondContact O-N 3.21Å; A14-S18 PolarHBondContact O-OG 3.38Å
15E91.8Very high87.7Confident107 Ų10784 Ų8450%0.546%0.458SS..Hα-helixtrans-63.7-44.9171.7-73.9-175.6-168.600111.3E11 D17 S18 L19 I30E11-E15 PolarHBondContact O-N 3.42Å; E15-D17 PolarHBondContact O-N 2.68Å; E15-S18 PolarHBondContact O-N 2.87Å; E15-S18 PolarHBondContact O-OG 3.02Å; E15-L19 WeakPolarHBondContact O-CB 3.37Å; E15-L19 PolarHBondContact O-N 3.1Å; E15-I30 HydrophobicContact CB-CD1 4.18Å
16K90.8Very high89.4Confident61 Ų6181 Ų8127%0.26545%0.447SS..Hα-helixtrans-59.8-32.6177.8-158.5-161.3113.2-51.50113L12 L13 M27 I30 I34L12-K16 VanDerWaalsContact O-CB 3.31Å; L12-K16 WeakPolarHBondContact O-CB 3.15Å; L12-K16 PolarHBondContact O-N 3.4Å; L13-K16 WeakPolarHBondContact O-CB 3.33Å; L13-K16 PolarHBondContact O-N 2.62Å; K16-M27 HydrophobicContact CG-SD 3.7Å; K16-M27 WeakPolarHBondContact O-CE 3.41Å; K16-I30 HydrophobicContact CB-CG2 3.71Å; K16-I30 HydrophobicContact CG-CG2 4.02Å; K16-I34 HydrophobicContact CB-CD1 4.04Å; K16-I34 HydrophobicContact CD-CD1 3.69Å; K16-I34 HydrophobicContact CG-CD1 4.19Å
17D91.9Very high90.8Very high121 Ų12177.8 Ų77.865%0.64743%0.425SS*.Hα-helixtrans-92-16.2-176.9-66.8-9.9000112.8L13 A14 E15L13-D17 PolarHBondContact O-N 2.87Å; A14-D17 PolarHBondContact O-N 2.77Å; E15-D17 PolarHBondContact O-N 2.68Å
18S92.9Very high91.4Very high98 Ų9878.2 Ų78.269%0.68543%0.427SS*.Hα-helixtrans-102.2-18.1175.6570000114.4A14 E15A14-S18 WeakPolarHBondContact O-CB 3.35Å; A14-S18 PolarHBondContact O-N 3.21Å; A14-S18 PolarHBondContact O-OG 3.38Å; E15-S18 PolarHBondContact O-N 2.87Å; E15-S18 PolarHBondContact O-OG 3.02Å
19L91.6Very high91.7Very high48 Ų4881 Ų8125%0.25145%0.446SS..SBendtrans-70.4130177.5-178.269.8000111.3E15 F23 A26 M27 I30E15-L19 WeakPolarHBondContact O-CB 3.37Å; E15-L19 PolarHBondContact O-N 3.1Å; L19-F23 HydrophobicContact CD1-CB 3.99Å; L19-F23 HydrophobicContact CD1-CD2 3.78Å; L19-F23 HydrophobicContact CD1-CG 4.07Å; L19-F23 HydrophobicContact CD2-CB 4.13Å; L19-F23 HydrophobicContact CG-CB 4.12Å; L19-F23 HydrophobicContact CG-CD2 4.44Å; L19-A26 HydrophobicContact CD2-CB 3.72Å; L19-M27 HydrophobicContact CB-CE 4.02Å; L19-M27 HydrophobicContact CD2-CB 4.24Å; L19-M27 HydrophobicContact CD2-CE 4.13Å; L19-M27 HydrophobicContact CG-CE 4.24Å; L19-M27 WeakPolarHBondContact O-CE 2.96Å; L19-I30 HydrophobicContact CD2-CD1 3.85Å
20D91.9Very high91.9Very high86 Ų8679.8 Ų79.846%0.4644%0.439SS..  trans-64.2140.1176.5176.537.4000112.6S22 F23D20-S22 PolarHBondContact O-N 3.04Å; D20-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 WeakPolarHBondContact OD2-CB 3.37Å; D20-S22 PolarHBondContact OD2-N 3.05Å; D20-S22 PolarHBondContact OD2-OG 2.91Å; D20-F23 HydrophobicContact CB-CD2 4.18Å; D20-F23 HydrophobicContact CB-CE2 4.43Å; D20-F23 PolarHBondContact O-N 2.84Å
21S88.8Confident91.9Very high94 Ų9478.9 Ų78.966%0.65743%0.432SS*.THydrogen-bonded Turntrans-53.8-23.8177.2630000115.1F23S21-F23 VanDerWaalsContact C-N 3.25Å; S21-F23 PolarHBondContact O-N 3.03Å
22S92.5Very high91.9Very high75 Ų7577.8 Ų77.852%0.52444%0.437SS..THydrogen-bonded Turntrans-63.1-29.5174.166.70000113D20 T24D20-S22 PolarHBondContact O-N 3.04Å; D20-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 WeakPolarHBondContact OD2-CB 3.37Å; D20-S22 PolarHBondContact OD2-N 3.05Å; D20-S22 PolarHBondContact OD2-OG 2.91Å; S22-T24 PolarHBondContact O-N 3.26Å
23F91.6Very high91.8Very high120 Ų12079.1 Ų79.153%0.52644%0.442SS..  trans-80.556.9179.2-64.5-75.6000112.4L19 D20 S21 H25 A26 M27L19-F23 HydrophobicContact CD1-CB 3.99Å; L19-F23 HydrophobicContact CD1-CD2 3.78Å; L19-F23 HydrophobicContact CD1-CG 4.07Å; L19-F23 HydrophobicContact CD2-CB 4.13Å; L19-F23 HydrophobicContact CG-CB 4.12Å; L19-F23 HydrophobicContact CG-CD2 4.44Å; D20-F23 HydrophobicContact CB-CD2 4.18Å; D20-F23 HydrophobicContact CB-CE2 4.43Å; D20-F23 PolarHBondContact O-N 2.84Å; S21-F23 VanDerWaalsContact C-N 3.25Å; S21-F23 PolarHBondContact O-N 3.03Å; F23-H25 PolarHBondContact O-N 2.85Å; F23-A26 HydrophobicContact CB-CB 4.17Å; F23-A26 PolarHBondContact O-N 2.89Å; F23-M27 WeakPolarHBondContact O-CB 3.49Å; F23-M27 PolarHBondContact O-N 3.25Å
24T92.7Very high91.7Very high76 Ų7676.5 Ų76.547%0.46643%0.429SS..Hα-helixtrans-53.5-30.7-175.263.50000114.4S22 K28S22-T24 PolarHBondContact O-N 3.26Å; T24-K28 WeakPolarHBondContact O-CD 3.26Å; T24-K28 WeakPolarHBondContact O-CG 3.27Å; T24-K28 PolarHBondContact O-N 2.97Å
25H93.4Very high91.6Very high141 Ų14178 Ų7865%0.65343%0.426SS*.Hα-helixtrans-77.1-46.6175.7-67.8-63000112.7F23 K28 L29F23-H25 PolarHBondContact O-N 2.85Å; H25-K28 PolarHBondContact O-N 3.43Å; H25-L29 WeakPolarHBondContact O-CG 3.49Å; H25-L29 PolarHBondContact O-N 3.11Å
26A92.1Very high91.3Very high37 Ų3775 Ų7531%0.30641%0.41SS..Hα-helixtrans-66.1-40.3178.300000111.3L19 F23 K28 L29 I30L19-A26 HydrophobicContact CD2-CB 3.72Å; F23-A26 HydrophobicContact CB-CB 4.17Å; F23-A26 PolarHBondContact O-N 2.89Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 3.03Å; A26-L29 PolarHBondContact O-N 3.26Å; A26-L29 VanDerWaalsContact O-N 3.11Å; A26-I30 WeakPolarHBondContact O-CG1 3.3Å; A26-I30 PolarHBondContact O-N 3.04Å
27M92.2Very high91Very high45 Ų4574.1 Ų74.122%0.22241%0.408CS..Hα-helixtrans-57.3-41.9173.3-17261.570.200112.3K16 L19 F23 T31K16-M27 HydrophobicContact CG-SD 3.7Å; K16-M27 WeakPolarHBondContact O-CE 3.41Å; L19-M27 HydrophobicContact CB-CE 4.02Å; L19-M27 HydrophobicContact CD2-CB 4.24Å; L19-M27 HydrophobicContact CD2-CE 4.13Å; L19-M27 HydrophobicContact CG-CE 4.24Å; L19-M27 WeakPolarHBondContact O-CE 2.96Å; F23-M27 WeakPolarHBondContact O-CB 3.49Å; F23-M27 PolarHBondContact O-N 3.25Å; M27-T31 VanDerWaalsContact O-CB 3.3Å; M27-T31 WeakPolarHBondContact O-CB 3.31Å; M27-T31 PolarHBondContact O-N 3.37Å; M27-T31 PolarHBondContact O-OG1 3.06Å
28K93.6Very high90.6Very high140 Ų14074.4 Ų74.461%0.60941%0.405SS*.Hα-helixtrans-65.8-42.1174-77.2170.9-177.1174.30112.4T24 H25 A26 A32T24-K28 WeakPolarHBondContact O-CD 3.26Å; T24-K28 WeakPolarHBondContact O-CG 3.27Å; T24-K28 PolarHBondContact O-N 2.97Å; H25-K28 PolarHBondContact O-N 3.43Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 3.03Å; K28-A32 VanDerWaalsContact O-CB 3.3Å; K28-A32 WeakPolarHBondContact O-CB 3.23Å; K28-A32 PolarHBondContact O-N 2.87Å
29L93.8Very high90.1Very high127 Ų12776.4 Ų76.467%0.66540%0.402SS*.Hα-helixtrans-66.4-46.2179.6-71170.6000111.9H25 A26 A32 E33H25-L29 WeakPolarHBondContact O-CG 3.49Å; H25-L29 PolarHBondContact O-N 3.11Å; A26-L29 PolarHBondContact O-N 3.26Å; A26-L29 VanDerWaalsContact O-N 3.11Å; L29-A32 PolarHBondContact O-N 3.33Å; L29-E33 WeakPolarHBondContact O-CB 3.37Å; L29-E33 PolarHBondContact O-N 2.85Å
30I92.3Very high89.1Confident21 Ų2176.9 Ų76.911%0.10842%0.418CS..Hα-helixtrans-62.4-44.7176.2-65.3169.5000110.3L12 E15 K16 L19 A26 A32 E33 I34L12-I30 HydrophobicContact CB-CG2 4.46Å; L12-I30 HydrophobicContact CD2-CG2 4.33Å; L12-I30 WeakPolarHBondContact O-CG2 3.3Å; E15-I30 HydrophobicContact CB-CD1 4.18Å; K16-I30 HydrophobicContact CB-CG2 3.71Å; K16-I30 HydrophobicContact CG-CG2 4.02Å; L19-I30 HydrophobicContact CD2-CD1 3.85Å; A26-I30 WeakPolarHBondContact O-CG1 3.3Å; A26-I30 PolarHBondContact O-N 3.04Å; I30-A32 PolarHBondContact O-N 3.48Å; I30-E33 PolarHBondContact O-N 2.87Å; I30-I34 HydrophobicContact CG2-CD1 3.77Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 WeakPolarHBondContact O-CD1 3.22Å; I30-I34 VanDerWaalsContact O-CG1 3.27Å; I30-I34 WeakPolarHBondContact O-CG1 3.37Å; I30-I34 PolarHBondContact O-N 3.17Å
31T91.1Very high87.6Confident49 Ų4979 Ų7930%0.30143%0.425SS..Hα-helixtrans-61.6-43.5176.9-56.40000111.8M27 E33 I34 E35M27-T31 VanDerWaalsContact O-CB 3.3Å; M27-T31 WeakPolarHBondContact O-CB 3.31Å; M27-T31 PolarHBondContact O-N 3.37Å; M27-T31 PolarHBondContact O-OG1 3.06Å; T31-E33 PolarHBondContact O-N 2.68Å; T31-I34 PolarHBondContact O-N 3.41Å; T31-E35 PolarHBondContact O-N 3.12Å
32A90.6Very high86.1Confident55 Ų5579.5 Ų79.546%0.45542%0.424SS..Hα-helixtrans-65.1-36.7175.800000112.8K28 L29 I30 E35 R36K28-A32 VanDerWaalsContact O-CB 3.3Å; K28-A32 WeakPolarHBondContact O-CB 3.23Å; K28-A32 PolarHBondContact O-N 2.87Å; L29-A32 PolarHBondContact O-N 3.33Å; I30-A32 PolarHBondContact O-N 3.48Å; A32-E35 PolarHBondContact O-N 3.1Å; A32-R36 WeakPolarHBondContact O-CB 3.34Å; A32-R36 PolarHBondContact O-N 3.19Å
33E88.5Confident84.3Confident37 Ų3781.1 Ų81.117%0.17342%0.422CS..Hα-helixtrans-68.1-41.9176.5-175.770.9170.800111.6Y8 L12 L29 I30 T31 R36 I37 K43Y8-E33 HydrophobicContact CE1-CG 4.44Å; Y8-E33 PolarHBondContact OH-OE1 3.46Å; L12-E33 HydrophobicContact CD1-CB 4.41Å; L12-E33 HydrophobicContact CD1-CG 3.6Å; L12-E33 HydrophobicContact CD2-CG 4.2Å; L29-E33 WeakPolarHBondContact O-CB 3.37Å; L29-E33 PolarHBondContact O-N 2.85Å; I30-E33 PolarHBondContact O-N 2.87Å; T31-E33 PolarHBondContact O-N 2.68Å; E33-R36 WeakPolarHBondContact O-CB 3.29Å; E33-R36 PolarHBondContact O-N 3.44Å; E33-R36 IonicContact OE1-CZ 3.1Å; E33-R36 IonicContact OE1-NE 2.6Å; E33-R36 IonicContact OE1-NH2 2.71Å; E33-R36 PolarHBondContact OE1-NH2 3.24Å; E33-R36 IonicContact OE2-CZ 3.62Å; E33-R36 VanDerWaalsContact OE2-CZ 3.31Å; E33-R36 IonicContact OE2-NE 3.19Å; E33-R36 PolarHBondContact OE2-NE 3.23Å; E33-R36 IonicContact OE2-NH2 2.68Å; E33-R36 PolarHBondContact OE2-NH2 3.22Å; E33-R36 VanDerWaalsContact OE2-NH2 3.11Å; E33-I37 HydrophobicContact CG-CD1 4.3Å; E33-I37 WeakPolarHBondContact O-CD1 3.47Å; E33-I37 VanDerWaalsContact O-CG1 3.29Å; E33-I37 WeakPolarHBondContact O-CG1 3.45Å; E33-I37 PolarHBondContact O-N 2.88Å; E33-K43 WeakPolarHBondContact OE1-CE 3.43Å; E33-K43 IonicContact OE1-NZ 2.62Å; E33-K43 PolarHBondContact OE1-NZ 3.45Å
34I89.3Confident82.1Confident10 Ų1085.2 Ų85.25%0.05144%0.439CS..Hα-helixtrans-59.5-48.9171.9-68160.3000110.3L12 L13 K16 I30 T31 R36 I37 Q38L12-I34 HydrophobicContact CB-CD1 4.25Å; L12-I34 HydrophobicContact CB-CG1 3.76Å; L12-I34 HydrophobicContact CD1-CG1 4.46Å; L13-I34 HydrophobicContact CD2-CD1 4.01Å; L13-I34 HydrophobicContact CD2-CG2 4.27Å; K16-I34 HydrophobicContact CB-CD1 4.04Å; K16-I34 HydrophobicContact CD-CD1 3.69Å; K16-I34 HydrophobicContact CG-CD1 4.19Å; I30-I34 HydrophobicContact CG2-CD1 3.77Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 WeakPolarHBondContact O-CD1 3.22Å; I30-I34 VanDerWaalsContact O-CG1 3.27Å; I30-I34 WeakPolarHBondContact O-CG1 3.37Å; I30-I34 PolarHBondContact O-N 3.17Å; T31-I34 PolarHBondContact O-N 3.41Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 3.39Å; I34-I37 PolarHBondContact O-N 2.94Å; I34-Q38 HydrophobicContact CG2-CG 4.32Å; I34-Q38 VanDerWaalsContact CG2-NE2 3.34Å; I34-Q38 WeakPolarHBondContact O-CB 3.48Å; I34-Q38 VanDerWaalsContact O-CG 3.32Å; I34-Q38 WeakPolarHBondContact O-CG 3.31Å; I34-Q38 PolarHBondContact O-N 3.36Å
35E89.7Confident79.7Confident89 Ų8986.7 Ų86.742%0.41645%0.449SS..Hα-helixtrans-59.1-41.2176.4-81.3-168.9-145.300112.4T31 A32 Q38 K39T31-E35 PolarHBondContact O-N 3.12Å; A32-E35 PolarHBondContact O-N 3.1Å; E35-Q38 PolarHBondContact O-N 3Å; E35-K39 WeakPolarHBondContact O-CB 3.27Å; E35-K39 WeakPolarHBondContact O-CD 3.49Å; E35-K39 WeakPolarHBondContact O-CG 3.49Å; E35-K39 PolarHBondContact O-N 3.27Å; E35-K39 IonicContact OE2-NZ 3Å; E35-K39 PolarHBondContact OE2-NZ 3.15Å
36R86.1Confident77.4Confident45 Ų4584.5 Ų84.517%0.1745%0.447CS..Hα-helixtrans-60.2-47178.2-172.8-168.85964.86111.2A32 E33 I34 K39 G40 E41 K43A32-R36 WeakPolarHBondContact O-CB 3.34Å; A32-R36 PolarHBondContact O-N 3.19Å; E33-R36 WeakPolarHBondContact O-CB 3.29Å; E33-R36 PolarHBondContact O-N 3.44Å; E33-R36 IonicContact OE1-CZ 3.1Å; E33-R36 IonicContact OE1-NE 2.6Å; E33-R36 IonicContact OE1-NH2 2.71Å; E33-R36 PolarHBondContact OE1-NH2 3.24Å; E33-R36 IonicContact OE2-CZ 3.62Å; E33-R36 VanDerWaalsContact OE2-CZ 3.31Å; E33-R36 IonicContact OE2-NE 3.19Å; E33-R36 PolarHBondContact OE2-NE 3.23Å; E33-R36 IonicContact OE2-NH2 2.68Å; E33-R36 PolarHBondContact OE2-NH2 3.22Å; E33-R36 VanDerWaalsContact OE2-NH2 3.11Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 3.39Å; R36-K39 PolarHBondContact O-N 2.73Å; R36-G40 PolarHBondContact O-N 2.69Å; R36-E41 HydrophobicContact CG-CB 3.84Å; R36-E41 WeakPolarHBondContact CG-O 3.47Å; R36-E41 PolarHBondContact NH1-O 2.89Å; R36-E41 PolarHBondContact O-N 3.41Å; R36-K43 VanDerWaalsContact NH1-N 3.15Å
37I84.9Confident75.6Confident42 Ų4291.8 Ų91.822%0.21547%0.474CS..Hα-helixtrans-66.3-45.1178.3-59.5158.8000110.7Y8 L9 L12 E33 I34 K39 G40Y8-I37 HydrophobicContact CD1-CD1 3.61Å; Y8-I37 HydrophobicContact CE1-CD1 3.64Å; L9-I37 HydrophobicContact CB-CG2 4.37Å; L9-I37 HydrophobicContact CD1-CB 4.32Å; L9-I37 HydrophobicContact CD1-CG2 3.75Å; L12-I37 HydrophobicContact CD1-CD1 3.34Å; E33-I37 HydrophobicContact CG-CD1 4.3Å; E33-I37 WeakPolarHBondContact O-CD1 3.47Å; E33-I37 VanDerWaalsContact O-CG1 3.29Å; E33-I37 WeakPolarHBondContact O-CG1 3.45Å; E33-I37 PolarHBondContact O-N 2.88Å; I34-I37 PolarHBondContact O-N 2.94Å; I37-K39 VanDerWaalsContact C-N 3.29Å; I37-K39 PolarHBondContact O-N 3.03Å; I37-G40 PolarHBondContact O-N 2.93Å
38Q83Confident73.7Confident127 Ų12797.5 Ų97.559%0.59350%0.498SS*.Hα-helixtrans-63.4-32.5178.7-72.8179.33.500113L9 I34 E35 G40L9-Q38 HydrophobicContact CD1-CG 4.02Å; I34-Q38 HydrophobicContact CG2-CG 4.32Å; I34-Q38 VanDerWaalsContact CG2-NE2 3.34Å; I34-Q38 WeakPolarHBondContact O-CB 3.48Å; I34-Q38 VanDerWaalsContact O-CG 3.32Å; I34-Q38 WeakPolarHBondContact O-CG 3.31Å; I34-Q38 PolarHBondContact O-N 3.36Å; E35-Q38 PolarHBondContact O-N 3Å; Q38-G40 PolarHBondContact O-N 3.34Å
39K82.1Confident71.8Confident141 Ų14198.9 Ų98.961%0.61351%0.507SS*.THydrogen-bonded Turntrans-75.6-3174.1-71.1165.8-167.9167.20113.5E35 R36 I37 E41E35-K39 WeakPolarHBondContact O-CB 3.27Å; E35-K39 WeakPolarHBondContact O-CD 3.49Å; E35-K39 WeakPolarHBondContact O-CG 3.49Å; E35-K39 PolarHBondContact O-N 3.27Å; E35-K39 IonicContact OE2-NZ 3Å; E35-K39 PolarHBondContact OE2-NZ 3.15Å; R36-K39 PolarHBondContact O-N 2.73Å; I37-K39 VanDerWaalsContact C-N 3.29Å; I37-K39 PolarHBondContact O-N 3.03Å; K39-E41 PolarHBondContact O-N 3.42Å
40G71.6Confident70.6Confident57 Ų5798 Ų9859%0.58851%0.507SS*.THydrogen-bonded Turntrans73.78.9179.900000114.3R36 I37 Q38 T42R36-G40 PolarHBondContact O-N 2.69Å; I37-G40 PolarHBondContact O-N 2.93Å; Q38-G40 PolarHBondContact O-N 3.34Å; G40-T42 PolarHBondContact O-N 3.5Å
41E60.4Low69.7Low130 Ų130107.2 Ų107.261%0.60754%0.542SS*.  trans-72.385.8164.2-70.6-170.9144.400107.1R36 K39R36-E41 HydrophobicContact CG-CB 3.84Å; R36-E41 WeakPolarHBondContact CG-O 3.47Å; R36-E41 PolarHBondContact NH1-O 2.89Å; R36-E41 PolarHBondContact O-N 3.41Å; K39-E41 PolarHBondContact O-N 3.42Å
42T55.9Low69.2Low106 Ų106109.3 Ų109.365%0.6555%0.551SS**  trans-56.5154.8166.947.50000109.4G40 K44G40-T42 PolarHBondContact O-N 3.5Å; T42-K44 PolarHBondContact O-N 2.91Å; T42-K44 VanDerWaalsContact O-N 3.1Å
43K55.7Low68.8Low108 Ų108111 Ų11147%0.4755%0.552SS.*  trans-53.3130175.6-79177.3175.3157.40106.4Y8 E33 R36 T45Y8-K43 PolarHBondContact OH-NZ 2.88Å; E33-K43 WeakPolarHBondContact OE1-CE 3.43Å; E33-K43 IonicContact OE1-NZ 2.62Å; E33-K43 PolarHBondContact OE1-NZ 3.45Å; R36-K43 VanDerWaalsContact NH1-N 3.15Å; K43-T45 PolarHBondContact O-N 3.23Å
44K45.8Very low68.4Low206 Ų206114.8 Ų114.890%0.89657%0.573SS**  trans-65.177155.8-72-176.5-178.9178.20106.2T42T42-K44 PolarHBondContact O-N 2.91Å; T42-K44 VanDerWaalsContact O-N 3.1Å
45T40.9Very low67.9Low108 Ų108123.6 Ų123.666%0.66361%0.611SS**  trans-46.3124.6153.644.40000104.6K43 E47K43-T45 PolarHBondContact O-N 3.23Å; T45-E47 PolarHBondContact O-N 3.33Å
46P46.1Very low67.3Low94 Ų94121.3 Ų121.361%0.6161%0.607SS**  trans-51.3144.3174.324.8-34.1000107.4K48P46-K48 HydrophobicContact CB-CG 4.32Å; P46-K48 HydrophobicContact CG-CD 4.42Å; P46-K48 PolarHBondContact O-N 3.45Å
47E53.4Low66.6Low190 Ų190125.7 Ų125.789%0.88864%0.639SS**SBendtrans-71.241.4-173.8-60.9169.8148.200111.9T45T45-E47 PolarHBondContact O-N 3.33Å
48K52.6Low66.6Low166 Ų166131.3 Ų131.372%0.72266%0.662SS**  trans-85.3125.6175.4-70.8-174.4170.9-170.60108P46P46-K48 HydrophobicContact CB-CG 4.32Å; P46-K48 HydrophobicContact CG-CD 4.42Å; P46-K48 PolarHBondContact O-N 3.45Å
49E53.9Low66.9Low169 Ų169129.3 Ų129.379%0.7966%0.658SS**SBendtrans74.218.3170.5-57.2171-147.700116.9Y51E49-Y51 PolarHBondContact O-N 2.98Å
50T68.1Low67.3Low109 Ų109124.4 Ų124.467%0.66964%0.638SS**  trans-77.494.9148.849.40000109.2L52T50-L52 PolarHBondContact O-N 2.72Å
51Y74.8Confident68.3Low214 Ų214128.1 Ų128.184%0.83964%0.638SS**  trans-52.3133.5170.7-70.3-91.9000110.6E49 D53E49-Y51 PolarHBondContact O-N 2.98Å; Y51-D53 PolarHBondContact O-N 3.32Å
52L79Confident69.8Low93 Ų93123.4 Ų123.449%0.48762%0.617SS.*  trans-77.5104.5175.4-70.3172.8000109T50 L54 M60 I143T50-L52 PolarHBondContact O-N 2.72Å; L52-L54 PolarHBondContact O-N 3.06Å; L52-M60 HydrophobicContact CD2-SD 4.32Å; L52-I143 HydrophobicContact CB-CD1 4.33Å; L52-I143 HydrophobicContact CD1-CG2 4.16Å; L52-I143 HydrophobicContact CD2-CD1 4.17Å
53D83.1Confident71.7Confident89 Ų89123.8 Ų123.848%0.47661%0.61SS.*  trans-70.7108.4170.8-177.4-5.7000109.7Y51 F55 A56 I143Y51-D53 PolarHBondContact O-N 3.32Å; D53-F55 WeakPolarHBondContact OD1-CA 3.31Å; D53-F55 PolarHBondContact OD1-N 3.29Å; D53-A56 HydrophobicContact CB-CB 4.22Å; D53-A56 PolarHBondContact OD1-N 3.11Å; D53-A56 VanDerWaalsContact OD2-CB 3.26Å; D53-A56 WeakPolarHBondContact OD2-CB 3.47Å; D53-I143 VanDerWaalsContact O-CD1 3.31Å; D53-I143 WeakPolarHBondContact O-CD1 3.46Å
54L81Confident73.6Confident118 Ų118123.2 Ų123.262%0.61861%0.609SS**SBendtrans-86.1-12.1178.2-60.2179000113.2L52 I143L52-L54 PolarHBondContact O-N 3.06Å; L54-I143 HydrophobicContact CD2-CB 4.08Å; L54-I143 HydrophobicContact CD2-CD1 4.27Å; L54-I143 HydrophobicContact CD2-CG2 3.82Å
55F78.4Confident76Confident195 Ų195120.6 Ų120.686%0.85559%0.593SS**SBendtrans-88.8-34.5178.5-64.3-78.9000111.4D53 T57D53-F55 WeakPolarHBondContact OD1-CA 3.31Å; D53-F55 PolarHBondContact OD1-N 3.29Å; F55-T57 PolarHBondContact O-N 2.71Å
56A75.7Confident78.6Confident40 Ų40117 Ų11733%0.33157%0.571SS.*SBendtrans-62.1121.5163.600000109.7D53 K58D53-A56 HydrophobicContact CB-CB 4.22Å; D53-A56 PolarHBondContact OD1-N 3.11Å; D53-A56 VanDerWaalsContact OD2-CB 3.26Å; D53-A56 WeakPolarHBondContact OD2-CB 3.47Å; A56-K58 HydrophobicContact CB-CB 4.21Å; A56-K58 PolarHBondContact O-N 3.1Å
57T72.3Confident81Confident138 Ų138118 Ų11885%0.84757%0.571SS**  trans-70.631.4171.751.20000112.8F55 T59F55-T57 PolarHBondContact O-N 2.71Å; T57-T59 PolarHBondContact O-N 2.95Å
58K85.5Confident83Confident160 Ų160109.3 Ų109.370%0.69653%0.53SS*.PPolyproline II helixtrans-69.2118.7-179.5-174.3178.6-179.2-175.50109.2A56A56-K58 HydrophobicContact CB-CB 4.21Å; A56-K58 PolarHBondContact O-N 3.1Å
59T88.5Confident85Confident84 Ų84102.9 Ų102.952%0.51551%0.505SS..EExtended strand (participates in β ladder)trans-70.9133.2171.251.70000109.9T57T57-T59 PolarHBondContact O-N 2.95Å
60M89.8Confident86.8Confident39 Ų3997.4 Ų97.419%0.19248%0.484CS..EExtended strand (participates in β ladder)trans-96.3163.3173.9-173.8162.66100109.7L52 L62 T140 A141 I143 N146 Y147L52-M60 HydrophobicContact CD2-SD 4.32Å; M60-L62 HydrophobicContact CE-CD1 4.11Å; M60-L62 HydrophobicContact CE-CD2 3.79Å; M60-L62 HydrophobicContact CE-CG 3.94Å; M60-L62 HydrophobicContact CG-CD2 4.35Å; M60-L62 HydrophobicContact SD-CD2 4.11Å; M60-T140 WeakPolarHBondContact O-CA 3.4Å; M60-A141 PolarHBondContact N-O 3.47Å; M60-A141 PolarHBondContact O-N 2.61Å; M60-I143 HydrophobicContact CB-CG1 4.27Å; M60-I143 HydrophobicContact CE-CB 4.39Å; M60-I143 HydrophobicContact CE-CG1 4.27Å; M60-I143 HydrophobicContact CE-CG2 4.05Å; M60-I143 HydrophobicContact SD-CG1 4.49Å; M60-N146 VanDerWaalsContact C-ND2 3.3Å; M60-N146 HydrophobicContact CE-CB 4.3Å; M60-N146 PolarHBondContact O-ND2 3.36Å; M60-Y147 HydrophobicContact CE-CD2 4.23Å; M60-Y147 HydrophobicContact CE-CE2 3.56Å
61K93Very high87.8Confident135 Ų13599.4 Ų99.459%0.58748%0.483SS*.EExtended strand (participates in β ladder)trans-124.5102170.6-65.7-165.9174.5-177.80110.2V139 T140K61-V139 WeakPolarHBondContact CA-O 3.19Å; K61-T140 HydrophobicContact CG-CG2 4.03Å
62L93.3Very high88.6Confident30 Ų3096 Ų9616%0.15748%0.475CS..EExtended strand (participates in β ladder)trans-88.1143.9171.9-63.4-179.3000109.9M60 E138 V139 N146 Y147 M150M60-L62 HydrophobicContact CE-CD1 4.11Å; M60-L62 HydrophobicContact CE-CD2 3.79Å; M60-L62 HydrophobicContact CE-CG 3.94Å; M60-L62 HydrophobicContact CG-CD2 4.35Å; M60-L62 HydrophobicContact SD-CD2 4.11Å; L62-E138 WeakPolarHBondContact O-CA 3.26Å; L62-V139 PolarHBondContact N-O 3.36Å; L62-V139 PolarHBondContact O-N 3.34Å; L62-N146 WeakPolarHBondContact CB-OD1 3.09Å; L62-N146 HydrophobicContact CD1-CB 4.17Å; L62-N146 VanDerWaalsContact CD1-OD1 3.31Å; L62-N146 WeakPolarHBondContact CD1-OD1 3.28Å; L62-N146 VanDerWaalsContact CG-OD1 3.23Å; L62-N146 WeakPolarHBondContact CG-OD1 3.34Å; L62-Y147 HydrophobicContact CD1-CD1 3.53Å; L62-Y147 HydrophobicContact CD1-CE1 3.6Å; L62-Y147 HydrophobicContact CD1-CG 4.05Å; L62-Y147 HydrophobicContact CD2-CE1 4.26Å; L62-M150 HydrophobicContact CB-CE 3.62Å; L62-M150 HydrophobicContact CD1-CB 4.49Å
63K95.5Very high89.2Confident115 Ų11596.7 Ų96.750%0.547%0.472SS..EExtended strand (participates in β ladder)trans-142.9104.3-172.3-74.3-179.2173-169.80110.2F136 I137 E138K63-F136 HydrophobicContact CB-CE2 4.03Å; K63-F136 HydrophobicContact CB-CZ 4.06Å; K63-F136 HydrophobicContact CD-CZ 4Å; K63-F136 HydrophobicContact CG-CE2 4.4Å; K63-F136 HydrophobicContact CG-CZ 3.92Å; K63-I137 CarbonylContact C-O 3.58Å; K63-I137 WeakPolarHBondContact CA-O 3.33Å; K63-E138 WeakPolarHBondContact CE-OE1 3.2Å; K63-E138 HydrophobicContact CG-CB 4.49Å; K63-E138 HydrophobicContact CG-CG 4.23Å; K63-E138 IonicContact NZ-OE1 2.74Å; K63-E138 PolarHBondContact NZ-OE1 2.84Å; K63-E138 VanDerWaalsContact NZ-OE1 3.1Å
64E96.2Very high89.5Confident96 Ų9697.5 Ų97.545%0.44948%0.481SS..EExtended strand (participates in β ladder)trans-114.7154.3-178.1-74.2-57.7156.700113.4F136 I137 M150E64-F136 WeakPolarHBondContact O-CA 3.48Å; E64-F136 WeakPolarHBondContact O-CD2 3.25Å; E64-I137 PolarHBondContact N-O 3.33Å; E64-I137 PolarHBondContact O-N 3.36Å; E64-M150 HydrophobicContact CB-CE 4.2Å; E64-M150 HydrophobicContact CB-SD 3.94Å; E64-M150 HydrophobicContact CG-CE 4.08Å; E64-M150 HydrophobicContact CG-CG 4.32Å; E64-M150 HydrophobicContact CG-SD 3.97Å
65R95.6Very high89.8Confident151 Ų151102.6 Ų102.657%0.5749%0.493SS*.EExtended strand (participates in β ladder)trans-127.9106.2-178-70175.6178.3150.9-2.6110.3V135 F136R65-V135 WeakPolarHBondContact CA-O 3.32Å; R65-F136 HydrophobicContact CG-CD2 3.85Å; R65-F136 HydrophobicContact CG-CE2 4.44Å
66V95.8Very high90.4Very high33 Ų3394.5 Ų94.520%0.246%0.459CS..EExtended strand (participates in β ladder)trans-99116.5-179.8-174.10000109.5H134 V135 I137 L161V66-H134 CarbonylContact O-C 3.59Å; V66-H134 WeakPolarHBondContact O-CA 3.44Å; V66-H134 VanDerWaalsContact O-CB 3.32Å; V66-H134 WeakPolarHBondContact O-CB 3.48Å; V66-V135 HydrophobicContact CB-CB 4.43Å; V66-V135 PolarHBondContact N-O 2.88Å; V66-V135 PolarHBondContact O-N 3.48Å; V66-I137 HydrophobicContact CG2-CD1 4.18Å; V66-L161 HydrophobicContact CG1-CD1 3.65Å
67L95.8Very high91.1Very high114 Ų11497.5 Ų97.560%0.59747%0.47SS*.EExtended strand (participates in β ladder)trans-67.4139.1178.6-72.6168.2000111.8E132 H134L67-E132 HydrophobicContact CD2-CB 4.07Å; L67-H134 HydrophobicContact CD2-CB 4.49Å
68I95.1Very high92.1Very high8 Ų891.1 Ų91.14%0.04143%0.43CS..PPolyproline II helixtrans-91.6127.2175-57.2-166.3000109.6T70 F78 L82 V103 L133 V135 L161I68-T70 HydrophobicContact CG2-CG2 3.93Å; I68-T70 PolarHBondContact O-N 3.27Å; I68-T70 PolarHBondContact O-OG1 2.76Å; I68-F78 HydrophobicContact CG2-CB 3.46Å; I68-F78 VanDerWaalsContact CG2-CB 3.46Å; I68-F78 HydrophobicContact CG2-CD1 4.43Å; I68-F78 HydrophobicContact CG2-CD2 3.58Å; I68-F78 HydrophobicContact CG2-CE2 4.42Å; I68-F78 HydrophobicContact CG2-CG 3.57Å; I68-L82 HydrophobicContact CD1-CD1 4.04Å; I68-V103 HydrophobicContact CD1-CG1 4.35Å; I68-L133 HydrophobicContact CB-CD2 4.05Å; I68-L133 HydrophobicContact CB-CG 4.21Å; I68-L133 HydrophobicContact CD1-CD2 4.03Å; I68-L133 HydrophobicContact CD1-CG 3.99Å; I68-L133 HydrophobicContact CG1-CD2 4.46Å; I68-L133 HydrophobicContact CG1-CG 4.3Å; I68-L133 HydrophobicContact CG2-CD2 4.11Å; I68-L133 PolarHBondContact N-O 3.28Å; I68-V135 HydrophobicContact CD1-CG2 3.83Å; I68-V135 HydrophobicContact CG1-CG2 4.04Å; I68-L161 HydrophobicContact CB-CD2 4.29Å; I68-L161 HydrophobicContact CD1-CD2 4.31Å; I68-L161 HydrophobicContact CG1-CD2 3.91Å; I68-L161 HydrophobicContact CG2-CD2 4Å
69P93.9Very high92.5Very high30 Ų3084.6 Ų84.620%0.19540%0.403CS..  trans-76.843.6-170.932.6-37000114.7K71 Q72 Y73 F78P69-K71 PolarHBondContact O-N 3.26Å; P69-Q72 HydrophobicContact CB-CB 4.41Å; P69-Q72 PolarHBondContact O-N 2.7Å; P69-Y73 HydrophobicContact CB-CD2 4.26Å; P69-Y73 HydrophobicContact CG-CD2 4.29Å; P69-Y73 PolarHBondContact O-N 2.64Å; P69-F78 HydrophobicContact CG-CE1 4.32Å; P69-F78 HydrophobicContact CG-CE2 4.28Å; P69-F78 HydrophobicContact CG-CZ 3.9Å
70T91.9Very high92.8Very high55 Ų5582.1 Ų82.134%0.33740%0.395SS..THydrogen-bonded Turntrans-57.6-27.817752.80000114.3I68 Y73 P74 F78 L133I68-T70 HydrophobicContact CG2-CG2 3.93Å; I68-T70 PolarHBondContact O-N 3.27Å; I68-T70 PolarHBondContact O-OG1 2.76Å; T70-Y73 CarbonylContact O-C 3.6Å; T70-P74 WeakPolarHBondContact O-CA 3.48Å; T70-P74 WeakPolarHBondContact O-CB 3.28Å; T70-F78 HydrophobicContact CG2-CD2 4.27Å; T70-L133 HydrophobicContact CG2-CD2 3.63Å
71K90.4Very high92.9Very high151 Ų15183.6 Ų83.666%0.65740%0.4SS*.THydrogen-bonded Turntrans-68.9-34174.1-69.9170.3177.1161.80112.7P69 E132P69-K71 PolarHBondContact O-N 3.26Å; K71-E132 WeakPolarHBondContact CE-OE1 3.34Å; K71-E132 IonicContact NZ-OE1 2.72Å; K71-E132 PolarHBondContact NZ-OE1 3.49Å; K71-E132 IonicContact NZ-OE2 3.79Å; K71-E132 PolarHBondContact NZ-OE2 2.62Å
72Q91.3Very high93Very high142 Ų14277.2 Ų77.266%0.66437%0.373SS*.THydrogen-bonded Turntrans-84.8-39.8-179.7-64173.9-4.500110.9P69 P74P69-Q72 HydrophobicContact CB-CB 4.41Å; P69-Q72 PolarHBondContact O-N 2.7Å; Q72-P74 VanDerWaalsContact C-CD 3.43Å; Q72-P74 WeakPolarHBondContact O-CD 3.36Å
73Y90.4Very high93.1Very high108 Ų10879.1 Ų79.142%0.42438%0.382SS..  trans-124.366.2-176.1-54.8-74.7000111.7P69 T70 R75 V76 F78 P163P69-Y73 HydrophobicContact CB-CD2 4.26Å; P69-Y73 HydrophobicContact CG-CD2 4.29Å; P69-Y73 PolarHBondContact O-N 2.64Å; T70-Y73 CarbonylContact O-C 3.6Å; Y73-R75 PolarHBondContact O-N 3.44Å; Y73-R75 VanDerWaalsContact O-N 3.11Å; Y73-V76 PolarHBondContact O-N 2.92Å; Y73-V76 VanDerWaalsContact O-N 3.13Å; Y73-F78 HydrophobicContact CD2-CZ 4.06Å; Y73-F78 HydrophobicContact CG-CZ 4.25Å; Y73-P163 HydrophobicContact CD1-CG 3.85Å; Y73-P163 HydrophobicContact CD2-CG 3.9Å; Y73-P163 HydrophobicContact CE1-CG 4.11Å; Y73-P163 HydrophobicContact CE2-CG 4.17Å; Y73-P163 HydrophobicContact CG-CG 3.73Å
74P89.6Confident93Very high105 Ų10574.6 Ų74.668%0.68237%0.369SS*.THydrogen-bonded Turntrans-68.2-12.6-172.327.7-36.8000114.7T70 Q72T70-P74 WeakPolarHBondContact O-CA 3.48Å; T70-P74 WeakPolarHBondContact O-CB 3.28Å; Q72-P74 VanDerWaalsContact C-CD 3.43Å; Q72-P74 WeakPolarHBondContact O-CD 3.36Å
75R88Confident92.9Very high226 Ų22674.8 Ų74.885%0.85338%0.378SS*.THydrogen-bonded Turntrans-88-13176.7-61.7-176.2-176.6178.71.4113.3Y73Y73-R75 PolarHBondContact O-N 3.44Å; Y73-R75 VanDerWaalsContact O-N 3.11Å
76V89.9Confident92.7Very high24 Ų2476.9 Ų76.915%0.14539%0.394CS..  trans-93126.4-173.5-1780000110.5Y73 F78 P163Y73-V76 PolarHBondContact O-N 2.92Å; Y73-V76 VanDerWaalsContact O-N 3.13Å; V76-F78 HydrophobicContact CB-CD2 4.23Å; V76-F78 HydrophobicContact CB-CE1 4.32Å; V76-F78 HydrophobicContact CB-CE2 3.78Å; V76-F78 HydrophobicContact CB-CZ 3.83Å; V76-F78 HydrophobicContact CG1-CD1 3.95Å; V76-F78 HydrophobicContact CG1-CD2 4.21Å; V76-F78 HydrophobicContact CG1-CE1 3.73Å; V76-F78 HydrophobicContact CG1-CE2 4.01Å; V76-F78 HydrophobicContact CG1-CG 4.19Å; V76-F78 HydrophobicContact CG1-CZ 3.77Å; V76-F78 HydrophobicContact CG2-CZ 4.46Å; V76-F78 WeakPolarHBondContact O-CD2 3.31Å; V76-F78 PolarHBondContact O-N 3.36Å; V76-F78 VanDerWaalsContact O-N 3.11Å; V76-P163 HydrophobicContact CG2-CB 4.41Å; V76-P163 HydrophobicContact CG2-CG 4.16Å
77N91.6Very high92.6Very high104 Ų10475.8 Ų75.856%0.55639%0.39SS*.  trans-86.173.3175.6-173.75.8000111.8V79 G80 K81N77-V79 VanDerWaalsContact C-N 3.27Å; N77-V79 PolarHBondContact O-N 3.42Å; N77-G80 PolarHBondContact O-N 2.93Å; N77-G80 PolarHBondContact OD1-N 3.33Å; N77-K81 PolarHBondContact O-N 3.23Å
78F93.9Very high92.6Very high3 Ų373.1 Ų73.11%0.01338%0.381CS..Hα-helixtrans-55.1-39.4177.7-64.9-73000113.6I68 P69 T70 Y73 V76 K81 L82 F160 L161 P163I68-F78 HydrophobicContact CG2-CB 3.46Å; I68-F78 VanDerWaalsContact CG2-CB 3.46Å; I68-F78 HydrophobicContact CG2-CD1 4.43Å; I68-F78 HydrophobicContact CG2-CD2 3.58Å; I68-F78 HydrophobicContact CG2-CE2 4.42Å; I68-F78 HydrophobicContact CG2-CG 3.57Å; P69-F78 HydrophobicContact CG-CE1 4.32Å; P69-F78 HydrophobicContact CG-CE2 4.28Å; P69-F78 HydrophobicContact CG-CZ 3.9Å; T70-F78 HydrophobicContact CG2-CD2 4.27Å; Y73-F78 HydrophobicContact CD2-CZ 4.06Å; Y73-F78 HydrophobicContact CG-CZ 4.25Å; V76-F78 HydrophobicContact CB-CD2 4.23Å; V76-F78 HydrophobicContact CB-CE1 4.32Å; V76-F78 HydrophobicContact CB-CE2 3.78Å; V76-F78 HydrophobicContact CB-CZ 3.83Å; V76-F78 HydrophobicContact CG1-CD1 3.95Å; V76-F78 HydrophobicContact CG1-CD2 4.21Å; V76-F78 HydrophobicContact CG1-CE1 3.73Å; V76-F78 HydrophobicContact CG1-CE2 4.01Å; V76-F78 HydrophobicContact CG1-CG 4.19Å; V76-F78 HydrophobicContact CG1-CZ 3.77Å; V76-F78 HydrophobicContact CG2-CZ 4.46Å; V76-F78 WeakPolarHBondContact O-CD2 3.31Å; V76-F78 PolarHBondContact O-N 3.36Å; V76-F78 VanDerWaalsContact O-N 3.11Å; F78-K81 PolarHBondContact O-N 3.46Å; F78-L82 WeakPolarHBondContact O-CB 3.3Å; F78-L82 PolarHBondContact O-N 3.4Å; F78-F160 WeakPolarHBondContact CD1-O 3.31Å; F78-L161 HydrophobicContact CD1-CD2 4.42Å; F78-L161 VanDerWaalsContact CE1-O 3.25Å; F78-L161 WeakPolarHBondContact CE1-O 3.49Å; F78-P163 HydrophobicContact CE1-CG 4.19Å; F78-P163 HydrophobicContact CZ-CG 4.08Å
79V93.9Very high92.7Very high23 Ų2374.7 Ų74.714%0.13939%0.391CS..Hα-helixtrans-64-43.3-179.8-178.90000110.4N77 L83 V103 L133N77-V79 VanDerWaalsContact C-N 3.27Å; N77-V79 PolarHBondContact O-N 3.42Å; V79-L83 HydrophobicContact CG1-CD1 3.76Å; V79-L83 WeakPolarHBondContact O-CB 3.36Å; V79-L83 PolarHBondContact O-N 3.35Å; V79-V103 HydrophobicContact CG1-CG1 4.26Å; V79-V103 HydrophobicContact CG2-CG1 4.1Å; V79-L133 HydrophobicContact CG2-CD1 4.2Å; V79-L133 HydrophobicContact CG2-CD2 3.76Å; V79-L133 HydrophobicContact CG2-CG 4.48Å
80G93.5Very high92.7Very high32 Ų3274 Ų7433%0.3339%0.386SS..Hα-helixtrans-62.8-44.3172.500000113.3N77 G84N77-G80 PolarHBondContact O-N 2.93Å; N77-G80 PolarHBondContact OD1-N 3.33Å; G80-G84 PolarHBondContact O-N 3.49Å
81K92.8Very high92.9Very high70 Ų7077.1 Ų77.130%0.30439%0.394SS..Hα-helixtrans-64.1-39.4179.1-162.8174.3177.3161.70112N77 F78 F160 E167N77-K81 PolarHBondContact O-N 3.23Å; F78-K81 PolarHBondContact O-N 3.46Å; K81-F160 HydrophobicContact CG-CD1 4.26Å; K81-E167 IonicContact NZ-OE2 2.68Å; K81-E167 PolarHBondContact NZ-OE2 3.15Å
82L94.6Very high93.2Very high2 Ų277.3 Ų77.31%0.0139%0.391CS..Hα-helixtrans-70-45.8176.1-82.3164.4000113.3I68 F78 I90 V135 F160 L161I68-L82 HydrophobicContact CD1-CD1 4.04Å; F78-L82 WeakPolarHBondContact O-CB 3.3Å; F78-L82 PolarHBondContact O-N 3.4Å; L82-I90 WeakPolarHBondContact O-CB 3.3Å; L82-I90 PolarHBondContact O-N 3Å; L82-V135 HydrophobicContact CD1-CG2 3.7Å; L82-F160 HydrophobicContact CD2-CB 3.5Å; L82-F160 VanDerWaalsContact CD2-CB 3.5Å; L82-F160 HydrophobicContact CD2-CD1 4.49Å; L82-F160 HydrophobicContact CD2-CD2 3.92Å; L82-F160 HydrophobicContact CD2-CG 3.72Å; L82-F160 HydrophobicContact CG-CB 3.83Å; L82-F160 HydrophobicContact CG-CG 4.35Å; L82-L161 HydrophobicContact CD1-CD2 4.15Å
83L94.8Very high93.4Very high69 Ų6970.8 Ų70.836%0.36136%0.36SS..Hα-helixtrans-67.5-47.8179.4-84.6156.3000111.7V79 G87 S88 T89 I90V79-L83 HydrophobicContact CG1-CD1 3.76Å; V79-L83 WeakPolarHBondContact O-CB 3.36Å; V79-L83 PolarHBondContact O-N 3.35Å; L83-G87 CarbonylContact O-C 3.49Å; L83-G87 WeakPolarHBondContact O-CA 3.2Å; L83-S88 PolarHBondContact O-N 2.9Å; L83-T89 WeakPolarHBondContact O-CB 3.23Å; L83-T89 PolarHBondContact O-N 2.98Å; L83-I90 HydrophobicContact CD2-CG2 3.85Å; L83-I90 PolarHBondContact O-N 3.36Å
84G93.8Very high93.7Very high21 Ų2168.1 Ų68.122%0.21635%0.352CS..  trans67.4-178-168.300000113.6G80 Q86 G87 T89G80-G84 PolarHBondContact O-N 3.49Å; G84-Q86 PolarHBondContact O-N 3.16Å; G84-G87 PolarHBondContact O-N 3.43Å; G84-T89 WeakPolarHBondContact CA-OG1 3.33Å
85P94.3Very high94Very high100 Ų10070.6 Ų70.665%0.64936%0.355SS*.G310 helixtrans-61.7125.8-179.825.7-32.9000110.6G87 S88P85-G87 PolarHBondContact O-N 3.41Å; P85-S88 WeakPolarHBondContact O-CB 3.41Å; P85-S88 PolarHBondContact O-N 2.95Å; P85-S88 PolarHBondContact O-OG 2.95Å; P85-S88 VanDerWaalsContact O-OG 3.07Å
86Q91.4Very high94.3Very high194 Ų19464.5 Ų64.591%0.90734%0.336SS*.G310 helixtrans53.720.2-177.3-57.3-175.4-1500115.4G84G84-Q86 PolarHBondContact O-N 3.16Å
87G93.8Very high94.5Very high11 Ų1163.6 Ų63.611%0.11333%0.33CS..G310 helixtrans76.318.1-175.300000114.3L83 G84 P85 I90 K91L83-G87 CarbonylContact O-C 3.49Å; L83-G87 WeakPolarHBondContact O-CA 3.2Å; G84-G87 PolarHBondContact O-N 3.43Å; P85-G87 PolarHBondContact O-N 3.41Å; G87-I90 WeakPolarHBondContact O-CG2 3.38Å; G87-K91 WeakPolarHBondContact O-CB 3.34Å; G87-K91 WeakPolarHBondContact O-CD 3.38Å; G87-K91 VanDerWaalsContact O-CG 3.24Å; G87-K91 WeakPolarHBondContact O-CG 3.47Å; G87-K91 PolarHBondContact O-N 3.41Å; G87-K91 VanDerWaalsContact O-N 3.1Å
88S96.3Very high94.6Very high58 Ų5860.4 Ų60.441%0.40632%0.322SS..Hα-helixtrans-63.7-43.7-178.662.40000112.6L83 P85 K91 R92L83-S88 PolarHBondContact O-N 2.9Å; P85-S88 WeakPolarHBondContact O-CB 3.41Å; P85-S88 PolarHBondContact O-N 2.95Å; P85-S88 PolarHBondContact O-OG 2.95Å; P85-S88 VanDerWaalsContact O-OG 3.07Å; S88-K91 PolarHBondContact O-N 2.84Å; S88-R92 WeakPolarHBondContact O-CB 3.27Å; S88-R92 PolarHBondContact O-N 3.39Å
89T95.8Very high94.7Very high41 Ų4160.5 Ų60.525%0.25232%0.323SS..Hα-helixtrans-62.2-48.2179.8-54.20000111.2L83 G84 K91 R92 L93 F160L83-T89 WeakPolarHBondContact O-CB 3.23Å; L83-T89 PolarHBondContact O-N 2.98Å; G84-T89 WeakPolarHBondContact CA-OG1 3.33Å; T89-K91 VanDerWaalsContact C-N 3.32Å; T89-K91 PolarHBondContact O-N 3.01Å; T89-R92 PolarHBondContact O-N 3.32Å; T89-L93 VanDerWaalsContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CB 3.2Å; T89-L93 PolarHBondContact O-N 3.35Å; T89-F160 HydrophobicContact CG2-CE1 3.58Å; T89-F160 HydrophobicContact CG2-CZ 3.77Å
90I95.6Very high94.8Very high15 Ų1564.6 Ų64.68%0.07734%0.339CS..Hα-helixtrans-68.9-28.3178.7-162.7168.1000112.8L82 L83 G87 Q94 I101 V103L82-I90 WeakPolarHBondContact O-CB 3.3Å; L82-I90 PolarHBondContact O-N 3Å; L83-I90 HydrophobicContact CD2-CG2 3.85Å; L83-I90 PolarHBondContact O-N 3.36Å; G87-I90 WeakPolarHBondContact O-CG2 3.38Å; I90-Q94 WeakPolarHBondContact O-CG 3.34Å; I90-Q94 PolarHBondContact O-N 3.04Å; I90-Q94 VanDerWaalsContact O-N 3.15Å; I90-Q94 PolarHBondContact O-NE2 3.32Å; I90-I101 HydrophobicContact CD1-CG2 4.17Å; I90-I101 HydrophobicContact CG1-CB 4.44Å; I90-I101 HydrophobicContact CG1-CG2 4.31Å; I90-V103 HydrophobicContact CD1-CG2 4.45Å
91K96.2Very high95Very high121 Ų12163.3 Ų63.353%0.52633%0.325SS..Hα-helixtrans-68.5-52.3173.6-77.3169.5-179.4172.80110.8G87 S88 T89 L93 Q94 E95G87-K91 WeakPolarHBondContact O-CB 3.34Å; G87-K91 WeakPolarHBondContact O-CD 3.38Å; G87-K91 VanDerWaalsContact O-CG 3.24Å; G87-K91 WeakPolarHBondContact O-CG 3.47Å; G87-K91 PolarHBondContact O-N 3.41Å; G87-K91 VanDerWaalsContact O-N 3.1Å; S88-K91 PolarHBondContact O-N 2.84Å; T89-K91 VanDerWaalsContact C-N 3.32Å; T89-K91 PolarHBondContact O-N 3.01Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.02Å; K91-Q94 WeakPolarHBondContact O-CB 3.46Å; K91-Q94 PolarHBondContact O-N 2.95Å; K91-E95 WeakPolarHBondContact O-CG 3.25Å; K91-E95 PolarHBondContact O-N 2.67Å
92R95.8Very high95.1Very high155 Ų15561.8 Ų61.859%0.58532%0.323SS*.Hα-helixtrans-53.8-46.9175178.1-179.6171.4-177.2-2.4111.4S88 T89 Q94 E95 E96S88-R92 WeakPolarHBondContact O-CB 3.27Å; S88-R92 PolarHBondContact O-N 3.39Å; T89-R92 PolarHBondContact O-N 3.32Å; R92-Q94 VanDerWaalsContact C-N 3.3Å; R92-Q94 PolarHBondContact O-N 3.49Å; R92-E95 PolarHBondContact O-N 2.96Å; R92-E95 VanDerWaalsContact O-N 3.14Å; R92-E96 HydrophobicContact CG-CG 4.22Å; R92-E96 IonicContact CZ-OE1 2.64Å; R92-E96 VanDerWaalsContact NE-CD 3.32Å; R92-E96 IonicContact NE-OE1 3.53Å; R92-E96 PolarHBondContact NE-OE1 3.38Å; R92-E96 IonicContact NE-OE2 3.19Å; R92-E96 PolarHBondContact NE-OE2 3.01Å; R92-E96 IonicContact NH2-OE1 2.62Å; R92-E96 PolarHBondContact NH2-OE1 2.87Å; R92-E96 IonicContact NH2-OE2 2.74Å; R92-E96 WeakPolarHBondContact O-CB 3.32Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 2.86Å
93L95.7Very high95.2Very high4 Ų462.6 Ų62.62%0.02133%0.328CS..Hα-helixtrans-60-37.3177.8-178.763.4000112.7T89 K91 T97 I101 E156 V157 F160T89-L93 VanDerWaalsContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CB 3.2Å; T89-L93 PolarHBondContact O-N 3.35Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.02Å; L93-T97 HydrophobicContact CD1-CG2 4.02Å; L93-T97 VanDerWaalsContact O-CB 3.32Å; L93-T97 WeakPolarHBondContact O-CB 3.21Å; L93-T97 WeakPolarHBondContact O-CG2 3.43Å; L93-T97 PolarHBondContact O-N 3.18Å; L93-T97 VanDerWaalsContact O-N 3.15Å; L93-T97 PolarHBondContact O-OG1 3.15Å; L93-I101 HydrophobicContact CD2-CD1 3.81Å; L93-I101 HydrophobicContact CG-CD1 3.63Å; L93-E156 HydrophobicContact CD1-CB 3.42Å; L93-E156 VanDerWaalsContact CD1-CB 3.42Å; L93-E156 HydrophobicContact CD1-CG 4.2Å; L93-V157 HydrophobicContact CD2-CG2 3.98Å; L93-F160 HydrophobicContact CD1-CE2 4.33Å; L93-F160 HydrophobicContact CD2-CE2 4.16Å
94Q96.6Very high95.2Very high53 Ų5361.2 Ų61.225%0.24832%0.321CS..Hα-helixtrans-72.3-36.3175-72.4172.4100.400112.5I90 K91 R92 G98 A99 I101I90-Q94 WeakPolarHBondContact O-CG 3.34Å; I90-Q94 PolarHBondContact O-N 3.04Å; I90-Q94 VanDerWaalsContact O-N 3.15Å; I90-Q94 PolarHBondContact O-NE2 3.32Å; K91-Q94 WeakPolarHBondContact O-CB 3.46Å; K91-Q94 PolarHBondContact O-N 2.95Å; R92-Q94 VanDerWaalsContact C-N 3.3Å; R92-Q94 PolarHBondContact O-N 3.49Å; Q94-G98 WeakPolarHBondContact O-CA 3.43Å; Q94-G98 PolarHBondContact O-N 2.98Å; Q94-A99 WeakPolarHBondContact CA-O 3.21Å; Q94-A99 VanDerWaalsContact CB-O 3.26Å; Q94-A99 WeakPolarHBondContact CB-O 3.33Å; Q94-A99 VanDerWaalsContact CG-O 3.26Å; Q94-A99 WeakPolarHBondContact CG-O 3.48Å; Q94-A99 PolarHBondContact O-N 2.99Å; Q94-I101 HydrophobicContact CG-CB 3.72Å; Q94-I101 HydrophobicContact CG-CD1 4.08Å; Q94-I101 HydrophobicContact CG-CG1 3.9Å; Q94-I101 PolarHBondContact OE1-O 2.78Å
95E95.8Very high95.3Very high157 Ų15760.2 Ų60.273%0.73431%0.31SS*.Hα-helixtrans-67.6-46.4175.9-71.6166.8-169.100111.6K91 R92K91-E95 WeakPolarHBondContact O-CG 3.25Å; K91-E95 PolarHBondContact O-N 2.67Å; R92-E95 PolarHBondContact O-N 2.96Å; R92-E95 VanDerWaalsContact O-N 3.14Å
96E94.7Very high95.2Very high97 Ų9762.3 Ų62.345%0.45331%0.309SS..Hα-helixtrans-68.6-33.8179.6-72175.3153.100113.1R92R92-E96 HydrophobicContact CG-CG 4.22Å; R92-E96 IonicContact CZ-OE1 2.64Å; R92-E96 VanDerWaalsContact NE-CD 3.32Å; R92-E96 IonicContact NE-OE1 3.53Å; R92-E96 PolarHBondContact NE-OE1 3.38Å; R92-E96 IonicContact NE-OE2 3.19Å; R92-E96 PolarHBondContact NE-OE2 3.01Å; R92-E96 IonicContact NH2-OE1 2.62Å; R92-E96 PolarHBondContact NH2-OE1 2.87Å; R92-E96 IonicContact NH2-OE2 2.74Å; R92-E96 WeakPolarHBondContact O-CB 3.32Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 2.86Å
97T94.4Very high95.2Very high5 Ų554.7 Ų54.73%0.03128%0.283CS..Hα-helixtrans-91.7-17.5-179.361.60000113.5L93 A99 A153 E156L93-T97 HydrophobicContact CD1-CG2 4.02Å; L93-T97 VanDerWaalsContact O-CB 3.32Å; L93-T97 WeakPolarHBondContact O-CB 3.21Å; L93-T97 WeakPolarHBondContact O-CG2 3.43Å; L93-T97 PolarHBondContact O-N 3.18Å; L93-T97 VanDerWaalsContact O-N 3.15Å; L93-T97 PolarHBondContact O-OG1 3.15Å; T97-A99 PolarHBondContact O-N 3.19Å; T97-A99 WeakPolarHBondContact OG1-CB 3.5Å; T97-A99 PolarHBondContact OG1-N 3.5Å; T97-A153 HydrophobicContact CG2-CB 4.05Å; T97-E156 HydrophobicContact CG2-CB 4.4Å; T97-E156 HydrophobicContact CG2-CG 4.24Å
98G93.4Very high95.1Very high37 Ų3755.5 Ų55.538%0.38129%0.287SS..  trans61.819-17000000113.5Q94Q94-G98 WeakPolarHBondContact O-CA 3.43Å; Q94-G98 PolarHBondContact O-N 2.98Å
99A96.2Very high95Very high5 Ų555.9 Ų55.94%0.04128%0.283CS..  trans-107.7149.6179.400000110.5Q94 T97 I101 I137 V139 A153Q94-A99 WeakPolarHBondContact CA-O 3.21Å; Q94-A99 VanDerWaalsContact CB-O 3.26Å; Q94-A99 WeakPolarHBondContact CB-O 3.33Å; Q94-A99 VanDerWaalsContact CG-O 3.26Å; Q94-A99 WeakPolarHBondContact CG-O 3.48Å; Q94-A99 PolarHBondContact O-N 2.99Å; T97-A99 PolarHBondContact O-N 3.19Å; T97-A99 WeakPolarHBondContact OG1-CB 3.5Å; T97-A99 PolarHBondContact OG1-N 3.5Å; A99-I101 HydrophobicContact CB-CG1 4.32Å; A99-I137 HydrophobicContact CB-CG2 3.94Å; A99-V139 HydrophobicContact CB-CG2 3.62Å; A99-A153 HydrophobicContact CB-CB 3.79Å
100K96.3Very high94.7Very high109 Ų10965.5 Ų65.547%0.47432%0.315SS..EExtended strand (participates in β ladder)trans-91.6118.8171.4176.6-178.4162.4-155.30108.9I137 E138K100-I137 WeakPolarHBondContact O-CA 3.26Å; K100-E138 HydrophobicContact CB-CB 4.34Å; K100-E138 WeakPolarHBondContact CB-O 3.35Å; K100-E138 PolarHBondContact N-O 3.15Å; K100-E138 IonicContact NZ-OE2 3.65Å; K100-E138 PolarHBondContact NZ-OE2 3.14Å; K100-E138 PolarHBondContact O-N 2.63Å
101I96.5Very high94.6Very high5 Ų568 Ų683%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-118.3129.3-171.5-58.4170.4000108.4I90 L93 Q94 A99 V135 F136 I137 V157I90-I101 HydrophobicContact CD1-CG2 4.17Å; I90-I101 HydrophobicContact CG1-CB 4.44Å; I90-I101 HydrophobicContact CG1-CG2 4.31Å; L93-I101 HydrophobicContact CD2-CD1 3.81Å; L93-I101 HydrophobicContact CG-CD1 3.63Å; Q94-I101 HydrophobicContact CG-CB 3.72Å; Q94-I101 HydrophobicContact CG-CD1 4.08Å; Q94-I101 HydrophobicContact CG-CG1 3.9Å; Q94-I101 PolarHBondContact OE1-O 2.78Å; A99-I101 HydrophobicContact CB-CG1 4.32Å; I101-V135 HydrophobicContact CG2-CG1 3.47Å; I101-V135 VanDerWaalsContact CG2-CG1 3.47Å; I101-F136 WeakPolarHBondContact CA-O 3.47Å; I101-I137 HydrophobicContact CG1-CG2 4.4Å; I101-V157 HydrophobicContact CD1-CG2 4.31Å
102S95.6Very high94.4Very high38 Ų3869.7 Ų69.727%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-140.6127.1-178.2-63.90000110.2F136S102-F136 PolarHBondContact N-O 2.79Å; S102-F136 WeakPolarHBondContact O-CB 3.4Å; S102-F136 PolarHBondContact O-N 3.26Å
103V96Very high94.2Very high20 Ų2068.6 Ų68.612%0.12134%0.341CS..EExtended strand (participates in β ladder)trans-76.7130.1169-172.30000107.8I68 V79 I90 S108 L133I68-V103 HydrophobicContact CD1-CG1 4.35Å; V79-V103 HydrophobicContact CG1-CG1 4.26Å; V79-V103 HydrophobicContact CG2-CG1 4.1Å; I90-V103 HydrophobicContact CD1-CG2 4.45Å; V103-S108 VanDerWaalsContact C-OG 3.3Å; V103-S108 PolarHBondContact O-OG 2.8Å; V103-S108 VanDerWaalsContact O-OG 3.07Å; V103-L133 HydrophobicContact CG1-CD1 4.02Å
104L95.3Very high94.1Very high40 Ų4073.7 Ų73.721%0.20936%0.363CS..EExtended strand (participates in β ladder)trans-140.8171.1-179-63.3178.3000109.9H128 H134 F136L104-H128 HydrophobicContact CB-CB 4.36Å; L104-H134 PolarHBondContact N-O 2.91Å; L104-H134 PolarHBondContact O-N 2.9Å; L104-F136 HydrophobicContact CD1-CB 3.74Å; L104-F136 HydrophobicContact CD1-CD1 4.21Å; L104-F136 HydrophobicContact CD1-CG 4.05Å; L104-F136 HydrophobicContact CG-CB 4.32Å
105G95.1Very high93.9Very high0 Ų071.7 Ų71.70%035%0.354CS..SBendtrans99.5179.4179.800000114G107 S108 H128G105-G107 PolarHBondContact O-N 2.81Å; G105-S108 WeakPolarHBondContact O-CB 3.43Å; G105-S108 PolarHBondContact O-N 3.03Å; G105-S108 VanDerWaalsContact O-N 3.12Å; G105-H128 WeakPolarHBondContact CA-O 2.86Å
106K93.3Very high93.6Very high143 Ų14368.3 Ų68.362%0.62234%0.338SS*.THydrogen-bonded Turntrans-62.6125.5177.9-178.1-176.6177.7-176.50111.5E115 M131 L133K106-E115 WeakPolarHBondContact CA-OE1 3.21Å; K106-M131 WeakPolarHBondContact CB-O 3.09Å; K106-M131 PolarHBondContact N-O 3.24Å; K106-L133 WeakPolarHBondContact O-CB 3.3Å
107G90.9Very high93.5Very high34 Ų3470.1 Ų70.135%0.35135%0.347SS..THydrogen-bonded Turntrans84.89.1-174.300000114.3G105 M109 E115G105-G107 PolarHBondContact O-N 2.81Å; G107-M109 VanDerWaalsContact C-N 3.35Å; G107-E115 VanDerWaalsContact CA-OE2 3.24Å; G107-E115 WeakPolarHBondContact CA-OE2 3.46Å; G107-E115 PolarHBondContact N-OE1 3.24Å; G107-E115 PolarHBondContact N-OE2 2.89Å
108S92.7Very high93.3Very high29 Ų2972.1 Ų72.120%0.20336%0.357CS..  trans-78.1-19.6175.7-173.30000112.8V103 G105 E115V103-S108 VanDerWaalsContact C-OG 3.3Å; V103-S108 PolarHBondContact O-OG 2.8Å; V103-S108 VanDerWaalsContact O-OG 3.07Å; G105-S108 WeakPolarHBondContact O-CB 3.43Å; G105-S108 PolarHBondContact O-N 3.03Å; G105-S108 VanDerWaalsContact O-N 3.12Å; S108-E115 PolarHBondContact N-OE2 3.05Å
109M92.6Very high93.1Very high66 Ų6675.8 Ų75.833%0.32536%0.359SS..SBendtrans-91.1146.1175.8-64.6-172.965.800111.2G107 D111 E115 L118 L129G107-M109 VanDerWaalsContact C-N 3.35Å; M109-D111 VanDerWaalsContact C-N 3.29Å; M109-D111 PolarHBondContact O-N 2.78Å; M109-E115 HydrophobicContact CB-CB 4.07Å; M109-E115 HydrophobicContact CB-CG 4.11Å; M109-E115 HydrophobicContact CG-CB 4.37Å; M109-E115 HydrophobicContact CG-CG 4.07Å; M109-E115 PolarHBondContact N-OE2 3.29Å; M109-E115 HydrophobicContact SD-CB 4.06Å; M109-E115 HydrophobicContact SD-CG 4Å; M109-L118 HydrophobicContact CE-CD1 3.88Å; M109-L118 HydrophobicContact SD-CD1 3.94Å; M109-L129 HydrophobicContact CG-CD2 4.5Å; M109-L129 HydrophobicContact SD-CD1 4.29Å
110R90.2Very high92.8Very high242 Ų24282.4 Ų82.491%0.91339%0.387SS*.SBendtrans-59.3-40.7174.4-174.7178.3-177.3172.11.9112.2
111D93.3Very high92.4Very high68 Ų6879.9 Ų79.936%0.36439%0.392SS..  trans-101.893.9-174.2-63.9-15.7000110.8M109 N113 K114 E115M109-D111 VanDerWaalsContact C-N 3.29Å; M109-D111 PolarHBondContact O-N 2.78Å; D111-N113 VanDerWaalsContact C-N 3.26Å; D111-N113 PolarHBondContact O-N 2.84Å; D111-K114 HydrophobicContact CB-CB 4.15Å; D111-K114 HydrophobicContact CB-CD 3.84Å; D111-K114 HydrophobicContact CB-CG 4.05Å; D111-K114 PolarHBondContact O-N 3.13Å; D111-K114 WeakPolarHBondContact OD2-CD 3.42Å; D111-K114 WeakPolarHBondContact OD2-CE 3.36Å; D111-K114 IonicContact OD2-NZ 2.67Å; D111-K114 PolarHBondContact OD2-NZ 3.33Å; D111-E115 PolarHBondContact O-N 3.35Å
112K91.7Very high91.8Very high156 Ų15682.9 Ų82.968%0.67842%0.424SS*.Hα-helixtrans-56.4-34.8-175.9-63.2179.1-178.7176.80114.2E115 E116K112-E115 WeakPolarHBondContact O-CB 3.42Å; K112-E115 PolarHBondContact O-N 2.84Å; K112-E116 PolarHBondContact O-N 3.49Å; K112-E116 VanDerWaalsContact O-N 3.11Å
113N92.6Very high91.4Very high133 Ų13385.8 Ų85.871%0.71143%0.434SS*.Hα-helixtrans-67.5-45.6-179.8-61.97.3000111.2D111 E115 E116 E117D111-N113 VanDerWaalsContact C-N 3.26Å; D111-N113 PolarHBondContact O-N 2.84Å; N113-E115 VanDerWaalsContact C-N 3.3Å; N113-E115 PolarHBondContact O-N 3.48Å; N113-E116 PolarHBondContact O-N 2.94Å; N113-E117 PolarHBondContact O-N 3.28Å; N113-E117 VanDerWaalsContact O-N 3.11Å
114K92.6Very high91Very high110 Ų11090.2 Ų90.248%0.47847%0.465SS..Hα-helixtrans-64.2-37.3175.6-62.4179.5-172.7159.80111.2D111 E116 E117 L118D111-K114 HydrophobicContact CB-CB 4.15Å; D111-K114 HydrophobicContact CB-CD 3.84Å; D111-K114 HydrophobicContact CB-CG 4.05Å; D111-K114 PolarHBondContact O-N 3.13Å; D111-K114 WeakPolarHBondContact OD2-CD 3.42Å; D111-K114 WeakPolarHBondContact OD2-CE 3.36Å; D111-K114 IonicContact OD2-NZ 2.67Å; D111-K114 PolarHBondContact OD2-NZ 3.33Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.25Å; K114-E117 PolarHBondContact O-N 2.94Å; K114-L118 WeakPolarHBondContact O-CB 3.32Å; K114-L118 VanDerWaalsContact O-CG 3.28Å; K114-L118 WeakPolarHBondContact O-CG 3.37Å; K114-L118 PolarHBondContact O-N 2.84Å
115E92.3Very high90.7Very high12 Ų1294.9 Ų94.96%0.05648%0.484CS..Hα-helixtrans-57.9-44.6174.3-163-171.9101.200111.6K106 G107 S108 M109 D111 K112 N113 L118 R119 L129K106-E115 WeakPolarHBondContact CA-OE1 3.21Å; G107-E115 VanDerWaalsContact CA-OE2 3.24Å; G107-E115 WeakPolarHBondContact CA-OE2 3.46Å; G107-E115 PolarHBondContact N-OE1 3.24Å; G107-E115 PolarHBondContact N-OE2 2.89Å; S108-E115 PolarHBondContact N-OE2 3.05Å; M109-E115 HydrophobicContact CB-CB 4.07Å; M109-E115 HydrophobicContact CB-CG 4.11Å; M109-E115 HydrophobicContact CG-CB 4.37Å; M109-E115 HydrophobicContact CG-CG 4.07Å; M109-E115 PolarHBondContact N-OE2 3.29Å; M109-E115 HydrophobicContact SD-CB 4.06Å; M109-E115 HydrophobicContact SD-CG 4Å; D111-E115 PolarHBondContact O-N 3.35Å; K112-E115 WeakPolarHBondContact O-CB 3.42Å; K112-E115 PolarHBondContact O-N 2.84Å; N113-E115 VanDerWaalsContact C-N 3.3Å; N113-E115 PolarHBondContact O-N 3.48Å; E115-L118 PolarHBondContact O-N 3.1Å; E115-R119 VanDerWaalsContact O-CB 3.28Å; E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 PolarHBondContact O-N 3.17Å; E115-L129 HydrophobicContact CG-CD1 3.8Å; E115-L129 HydrophobicContact CG-CD2 3.7Å; E115-L129 HydrophobicContact CG-CG 4.24Å
116E91.2Very high90.5Very high86 Ų8697 Ų9740%0.40249%0.492SS..Hα-helixtrans-70.3-35.5179.6-164179.7164.900113K112 N113 K114 R119 K120K112-E116 PolarHBondContact O-N 3.49Å; K112-E116 VanDerWaalsContact O-N 3.11Å; N113-E116 PolarHBondContact O-N 2.94Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.25Å; E116-R119 IonicContact OE1-NH2 2.69Å; E116-K120 HydrophobicContact CG-CD 4.42Å; E116-K120 WeakPolarHBondContact O-CG 3.37Å; E116-K120 PolarHBondContact O-N 3.04Å; E116-K120 WeakPolarHBondContact OE1-CE 3.18Å; E116-K120 IonicContact OE1-NZ 2.7Å; E116-K120 PolarHBondContact OE1-NZ 2.97Å
117E92.2Very high90.4Very high135 Ų13593.2 Ų93.263%0.63149%0.487SS*.Hα-helixtrans-61.7-50.1172-71.2169.9-179.200111.4N113 K114 R119 K120 G121N113-E117 PolarHBondContact O-N 3.28Å; N113-E117 VanDerWaalsContact O-N 3.11Å; K114-E117 PolarHBondContact O-N 2.94Å; E117-R119 VanDerWaalsContact C-N 3.32Å; E117-R119 PolarHBondContact O-N 3.01Å; E117-K120 CarbonylContact O-C 3.58Å; E117-K120 PolarHBondContact O-N 2.91Å; E117-K120 VanDerWaalsContact O-N 3.08Å; E117-G121 PolarHBondContact O-N 2.88Å
118L90.1Very high90.5Very high46 Ų4693.8 Ų93.824%0.24148%0.481CS..Hα-helixtrans-64.2-35.3178.5-67.6176.9000112.5M109 K114 E115 K120 G121 Y126 L129M109-L118 HydrophobicContact CE-CD1 3.88Å; M109-L118 HydrophobicContact SD-CD1 3.94Å; K114-L118 WeakPolarHBondContact O-CB 3.32Å; K114-L118 VanDerWaalsContact O-CG 3.28Å; K114-L118 WeakPolarHBondContact O-CG 3.37Å; K114-L118 PolarHBondContact O-N 2.84Å; E115-L118 PolarHBondContact O-N 3.1Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-G121 PolarHBondContact O-N 3.33Å; L118-Y126 HydrophobicContact CB-CD2 3.91Å; L118-Y126 HydrophobicContact CB-CE2 4.36Å; L118-Y126 HydrophobicContact CB-CG 4.03Å; L118-Y126 HydrophobicContact CD1-CD1 4.3Å; L118-Y126 HydrophobicContact CD1-CD2 4.34Å; L118-Y126 HydrophobicContact CD1-CE1 4Å; L118-Y126 HydrophobicContact CD1-CE2 4.06Å; L118-Y126 HydrophobicContact CD1-CG 4.48Å; L118-Y126 HydrophobicContact CD2-CD2 3.97Å; L118-Y126 HydrophobicContact CD2-CE2 3.66Å; L118-Y126 HydrophobicContact CG-CD2 4.29Å; L118-Y126 HydrophobicContact CG-CE2 4.24Å; L118-L129 HydrophobicContact CB-CD1 4Å
119R89.8Confident90.5Very high115 Ų11592.4 Ų92.443%0.43447%0.471SS..Hα-helixtrans-64.7-35172.5-171.5-176.469.197.60.1112.3E115 E116 E117 L129E115-R119 VanDerWaalsContact O-CB 3.28Å; E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 PolarHBondContact O-N 3.17Å; E116-R119 IonicContact OE1-NH2 2.69Å; E117-R119 VanDerWaalsContact C-N 3.32Å; E117-R119 PolarHBondContact O-N 3.01Å; R119-L129 HydrophobicContact CB-CB 4.05Å; R119-L129 HydrophobicContact CB-CD1 4.4Å; R119-L129 WeakPolarHBondContact CD-O 3.37Å; R119-L129 HydrophobicContact CG-CB 4.13Å
120K89.6Confident90.4Very high144 Ų14493.1 Ų93.163%0.62649%0.487SS*.Hα-helixtrans-78.9-27175.5-73.4169.7-175.7164.10112.9E116 E117 L118 G122E116-K120 HydrophobicContact CG-CD 4.42Å; E116-K120 WeakPolarHBondContact O-CG 3.37Å; E116-K120 PolarHBondContact O-N 3.04Å; E116-K120 WeakPolarHBondContact OE1-CE 3.18Å; E116-K120 IonicContact OE1-NZ 2.7Å; E116-K120 PolarHBondContact OE1-NZ 2.97Å; E117-K120 CarbonylContact O-C 3.58Å; E117-K120 PolarHBondContact O-N 2.91Å; E117-K120 VanDerWaalsContact O-N 3.08Å; L118-K120 VanDerWaalsContact C-N 3.33Å; K120-G122 PolarHBondContact O-N 2.6Å
121G86.9Confident90.6Very high56 Ų5684.9 Ų84.958%0.57746%0.46SS*.THydrogen-bonded Turntrans-65.2-15.2177.700000114.9E117 L118 E123E117-G121 PolarHBondContact O-N 2.88Å; L118-G121 PolarHBondContact O-N 3.33Å; G121-E123 PolarHBondContact O-N 2.71Å
122G83.9Confident90.6Very high68 Ų6886.5 Ų86.570%0.70147%0.465SS*.THydrogen-bonded Turntrans72.27.3171.300000115.6K120 S124K120-G122 PolarHBondContact O-N 2.6Å; G122-S124 PolarHBondContact O-N 3.26Å
123E87.9Confident90.8Very high99 Ų9979.8 Ų79.846%0.46344%0.437SS..  trans-63.6130.4177.8-64-179-15200111.5G121 K125 Y126 A127G121-E123 PolarHBondContact O-N 2.71Å; E123-K125 PolarHBondContact O-N 3.23Å; E123-K125 VanDerWaalsContact O-N 3.09Å; E123-Y126 HydrophobicContact CB-CD2 3.92Å; E123-Y126 HydrophobicContact CG-CD2 4.4Å; E123-Y126 CarbonylContact O-C 3.18Å; E123-Y126 PolarHBondContact O-N 2.84Å; E123-Y126 WeakPolarHBondContact OE2-CE2 3.32Å; E123-A127 PolarHBondContact O-N 2.89Å
124S87.8Confident90.9Very high112 Ų11273.7 Ų73.778%0.78340%0.404SS*.G310 helixtrans-53.8-33.7177.6-178.10000113G122 Y126 A127G122-S124 PolarHBondContact O-N 3.26Å; S124-Y126 PolarHBondContact O-N 3.2Å; S124-A127 VanDerWaalsContact O-CB 3.32Å; S124-A127 WeakPolarHBondContact O-CB 3.36Å; S124-A127 PolarHBondContact O-N 3.06Å
125K88.9Confident91.1Very high139 Ų13968.5 Ų68.560%0.60438%0.381SS*.G310 helixtrans-54.9-37.4173.7-174.4-173.5175.2-161.70112.8E123 H128E123-K125 PolarHBondContact O-N 3.23Å; E123-K125 VanDerWaalsContact O-N 3.09Å; K125-H128 PolarHBondContact O-CE1 3.2Å; K125-H128 PolarHBondContact O-ND1 3.24Å
126Y90.4Very high91.4Very high45 Ų4569.3 Ų69.318%0.17639%0.385CS..G310 helixtrans-103.28.4-177-57.8-57.9000113.4L118 E123 S124 H128 L129L118-Y126 HydrophobicContact CB-CD2 3.91Å; L118-Y126 HydrophobicContact CB-CE2 4.36Å; L118-Y126 HydrophobicContact CB-CG 4.03Å; L118-Y126 HydrophobicContact CD1-CD1 4.3Å; L118-Y126 HydrophobicContact CD1-CD2 4.34Å; L118-Y126 HydrophobicContact CD1-CE1 4Å; L118-Y126 HydrophobicContact CD1-CE2 4.06Å; L118-Y126 HydrophobicContact CD1-CG 4.48Å; L118-Y126 HydrophobicContact CD2-CD2 3.97Å; L118-Y126 HydrophobicContact CD2-CE2 3.66Å; L118-Y126 HydrophobicContact CG-CD2 4.29Å; L118-Y126 HydrophobicContact CG-CE2 4.24Å; E123-Y126 HydrophobicContact CB-CD2 3.92Å; E123-Y126 HydrophobicContact CG-CD2 4.4Å; E123-Y126 CarbonylContact O-C 3.18Å; E123-Y126 PolarHBondContact O-N 2.84Å; E123-Y126 WeakPolarHBondContact OE2-CE2 3.32Å; S124-Y126 PolarHBondContact O-N 3.2Å; Y126-H128 PolarHBondContact O-N 3.29Å; Y126-L129 HydrophobicContact CD1-CD1 4.27Å; Y126-L129 HydrophobicContact CG-CD1 4.29Å; Y126-L129 VanDerWaalsContact O-CB 3.3Å; Y126-L129 WeakPolarHBondContact O-CB 3.39Å; Y126-L129 WeakPolarHBondContact O-CG 3.3Å; Y126-L129 PolarHBondContact O-N 3.11Å
127A91.4Very high91.6Very high62 Ų6265.2 Ų65.251%0.51237%0.366SS..G310 helixtrans-55.2-28.3176.700000113.2E123 S124 L129 A130E123-A127 PolarHBondContact O-N 2.89Å; S124-A127 VanDerWaalsContact O-CB 3.32Å; S124-A127 WeakPolarHBondContact O-CB 3.36Å; S124-A127 PolarHBondContact O-N 3.06Å; A127-L129 PolarHBondContact O-N 3.13Å; A127-A130 PolarHBondContact O-N 3.11Å
128H91.9Very high91.8Very high46 Ų4660 Ų6021%0.21334%0.342CS..G310 helixtrans-62.1-25.2174.463.4-95.7000113.6L104 G105 K125 Y126 A130 M131L104-H128 HydrophobicContact CB-CB 4.36Å; G105-H128 WeakPolarHBondContact CA-O 2.86Å; K125-H128 PolarHBondContact O-CE1 3.2Å; K125-H128 PolarHBondContact O-ND1 3.24Å; Y126-H128 PolarHBondContact O-N 3.29Å; H128-A130 PolarHBondContact O-N 3.12Å; H128-M131 WeakPolarHBondContact O-CB 3.45Å; H128-M131 PolarHBondContact O-N 2.94Å
129L92.8Very high92.2Very high1 Ų157.9 Ų57.91%0.00533%0.33CS..G310 helixtrans-67.2-13.6178.1-59.4-178.6000113.5M109 E115 L118 R119 Y126 A127 M131M109-L129 HydrophobicContact CG-CD2 4.5Å; M109-L129 HydrophobicContact SD-CD1 4.29Å; E115-L129 HydrophobicContact CG-CD1 3.8Å; E115-L129 HydrophobicContact CG-CD2 3.7Å; E115-L129 HydrophobicContact CG-CG 4.24Å; L118-L129 HydrophobicContact CB-CD1 4Å; R119-L129 HydrophobicContact CB-CB 4.05Å; R119-L129 HydrophobicContact CB-CD1 4.4Å; R119-L129 WeakPolarHBondContact CD-O 3.37Å; R119-L129 HydrophobicContact CG-CB 4.13Å; Y126-L129 HydrophobicContact CD1-CD1 4.27Å; Y126-L129 HydrophobicContact CG-CD1 4.29Å; Y126-L129 VanDerWaalsContact O-CB 3.3Å; Y126-L129 WeakPolarHBondContact O-CB 3.39Å; Y126-L129 WeakPolarHBondContact O-CG 3.3Å; Y126-L129 PolarHBondContact O-N 3.11Å; A127-L129 PolarHBondContact O-N 3.13Å; L129-M131 VanDerWaalsContact C-N 3.33Å
130A91.4Very high92.4Very high80 Ų8055.5 Ų55.566%0.66133%0.329SS*.G310 helixtrans-78-18.2170.400000113.1A127 H128A127-A130 PolarHBondContact O-N 3.11Å; H128-A130 PolarHBondContact O-N 3.12Å
131M93Very high92.6Very high69 Ų6948.8 Ų48.834%0.3430%0.3SS..SBendtrans-85.7161.2-180-55.5-177.861.900111.6K106 H128 L129K106-M131 WeakPolarHBondContact CB-O 3.09Å; K106-M131 PolarHBondContact N-O 3.24Å; H128-M131 WeakPolarHBondContact O-CB 3.45Å; H128-M131 PolarHBondContact O-N 2.94Å; L129-M131 VanDerWaalsContact C-N 3.33Å
132E94.1Very high92.8Very high102 Ų10248.5 Ų48.548%0.47729%0.288SS..PPolyproline II helixtrans-65.6160170.5-56.9-155.2155.400111.7L67 K71 H134L67-E132 HydrophobicContact CD2-CB 4.07Å; K71-E132 WeakPolarHBondContact CE-OE1 3.34Å; K71-E132 IonicContact NZ-OE1 2.72Å; K71-E132 PolarHBondContact NZ-OE1 3.49Å; K71-E132 IonicContact NZ-OE2 3.79Å; K71-E132 PolarHBondContact NZ-OE2 2.62Å; E132-H134 PolarHBondContact O-N 3.27Å; E132-H134 PolarHBondContact O-ND1 3Å
133L95.5Very high93.1Very high16 Ų1646.1 Ų46.18%0.08426%0.259CS..SBendtrans-60.5120.6179.2-170.370.7000110.9I68 T70 V79 V103 K106I68-L133 HydrophobicContact CB-CD2 4.05Å; I68-L133 HydrophobicContact CB-CG 4.21Å; I68-L133 HydrophobicContact CD1-CD2 4.03Å; I68-L133 HydrophobicContact CD1-CG 3.99Å; I68-L133 HydrophobicContact CG1-CD2 4.46Å; I68-L133 HydrophobicContact CG1-CG 4.3Å; I68-L133 HydrophobicContact CG2-CD2 4.11Å; I68-L133 PolarHBondContact N-O 3.28Å; T70-L133 HydrophobicContact CG2-CD2 3.63Å; V79-L133 HydrophobicContact CG2-CD1 4.2Å; V79-L133 HydrophobicContact CG2-CD2 3.76Å; V79-L133 HydrophobicContact CG2-CG 4.48Å; V103-L133 HydrophobicContact CG1-CD1 4.02Å; K106-L133 WeakPolarHBondContact O-CB 3.3Å
134H95.9Very high93.3Very high5 Ų545.6 Ų45.62%0.02326%0.264CS..EExtended strand (participates in β ladder)trans-143.8153.9-177.663-81000112.1V66 L67 L104 E132V66-H134 CarbonylContact O-C 3.59Å; V66-H134 WeakPolarHBondContact O-CA 3.44Å; V66-H134 VanDerWaalsContact O-CB 3.32Å; V66-H134 WeakPolarHBondContact O-CB 3.48Å; L67-H134 HydrophobicContact CD2-CB 4.49Å; L104-H134 PolarHBondContact N-O 2.91Å; L104-H134 PolarHBondContact O-N 2.9Å; E132-H134 PolarHBondContact O-N 3.27Å; E132-H134 PolarHBondContact O-ND1 3Å
135V96.7Very high93.5Very high0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-87126.6162.7-173.70000107.6R65 V66 I68 L82 I101 I137 V157R65-V135 WeakPolarHBondContact CA-O 3.32Å; V66-V135 HydrophobicContact CB-CB 4.43Å; V66-V135 PolarHBondContact N-O 2.88Å; V66-V135 PolarHBondContact O-N 3.48Å; I68-V135 HydrophobicContact CD1-CG2 3.83Å; I68-V135 HydrophobicContact CG1-CG2 4.04Å; L82-V135 HydrophobicContact CD1-CG2 3.7Å; I101-V135 HydrophobicContact CG2-CG1 3.47Å; I101-V135 VanDerWaalsContact CG2-CG1 3.47Å; V135-I137 HydrophobicContact CG1-CG1 4.11Å; V135-V157 HydrophobicContact CB-CG1 4.32Å; V135-V157 HydrophobicContact CG1-CG1 4.27Å; V135-V157 HydrophobicContact CG1-CG2 4.37Å; V135-V157 HydrophobicContact CG2-CG1 4.1Å
136F97Very high93.8Very high29 Ų2937.8 Ų37.813%0.12722%0.218CC..EExtended strand (participates in β ladder)trans-101.4123.1173-179.6-109.5000109.3K63 E64 R65 I101 S102 L104 E138K63-F136 HydrophobicContact CB-CE2 4.03Å; K63-F136 HydrophobicContact CB-CZ 4.06Å; K63-F136 HydrophobicContact CD-CZ 4Å; K63-F136 HydrophobicContact CG-CE2 4.4Å; K63-F136 HydrophobicContact CG-CZ 3.92Å; E64-F136 WeakPolarHBondContact O-CA 3.48Å; E64-F136 WeakPolarHBondContact O-CD2 3.25Å; R65-F136 HydrophobicContact CG-CD2 3.85Å; R65-F136 HydrophobicContact CG-CE2 4.44Å; I101-F136 WeakPolarHBondContact CA-O 3.47Å; S102-F136 PolarHBondContact N-O 2.79Å; S102-F136 WeakPolarHBondContact O-CB 3.4Å; S102-F136 PolarHBondContact O-N 3.26Å; L104-F136 HydrophobicContact CD1-CB 3.74Å; L104-F136 HydrophobicContact CD1-CD1 4.21Å; L104-F136 HydrophobicContact CD1-CG 4.05Å; L104-F136 HydrophobicContact CG-CB 4.32Å; F136-E138 HydrophobicContact CE1-CB 3.99Å; F136-E138 HydrophobicContact CZ-CB 4.43Å
137I97.1Very high93.9Very high0 Ų041.4 Ų41.40%023%0.232CC..EExtended strand (participates in β ladder)trans-114.8120.7-178.6-51.5178.8000108K63 E64 V66 A99 K100 I101 V135 V139 M150 A153 M154 V157K63-I137 CarbonylContact C-O 3.58Å; K63-I137 WeakPolarHBondContact CA-O 3.33Å; E64-I137 PolarHBondContact N-O 3.33Å; E64-I137 PolarHBondContact O-N 3.36Å; V66-I137 HydrophobicContact CG2-CD1 4.18Å; A99-I137 HydrophobicContact CB-CG2 3.94Å; K100-I137 WeakPolarHBondContact O-CA 3.26Å; I101-I137 HydrophobicContact CG1-CG2 4.4Å; V135-I137 HydrophobicContact CG1-CG1 4.11Å; I137-V139 HydrophobicContact CG2-CG2 4.25Å; I137-M150 HydrophobicContact CB-CE 4.47Å; I137-M150 HydrophobicContact CB-SD 3.99Å; I137-M150 HydrophobicContact CG2-CE 4.14Å; I137-M150 HydrophobicContact CG2-SD 3.61Å; I137-A153 HydrophobicContact CD1-CB 4.38Å; I137-A153 HydrophobicContact CG2-CB 3.97Å; I137-M154 HydrophobicContact CD1-CG 4.01Å; I137-V157 HydrophobicContact CD1-CG2 4.17Å
138E96.7Very high94.1Very high27 Ų2744.5 Ų44.513%0.12624%0.239CC..EExtended strand (participates in β ladder)trans-118.3119.3177.4178.1173.6-142.800109.3L62 K63 K100 F136L62-E138 WeakPolarHBondContact O-CA 3.26Å; K63-E138 WeakPolarHBondContact CE-OE1 3.2Å; K63-E138 HydrophobicContact CG-CB 4.49Å; K63-E138 HydrophobicContact CG-CG 4.23Å; K63-E138 IonicContact NZ-OE1 2.74Å; K63-E138 PolarHBondContact NZ-OE1 2.84Å; K63-E138 VanDerWaalsContact NZ-OE1 3.1Å; K100-E138 HydrophobicContact CB-CB 4.34Å; K100-E138 WeakPolarHBondContact CB-O 3.35Å; K100-E138 PolarHBondContact N-O 3.15Å; K100-E138 IonicContact NZ-OE2 3.65Å; K100-E138 PolarHBondContact NZ-OE2 3.14Å; K100-E138 PolarHBondContact O-N 2.63Å; F136-E138 HydrophobicContact CE1-CB 3.99Å; F136-E138 HydrophobicContact CZ-CB 4.43Å
139V96.6Very high94.3Very high0 Ų046.2 Ų46.20%024%0.244CC..EExtended strand (participates in β ladder)trans-117.5127.6179.4-179.40000109.5K61 L62 A99 I137 A141 N146 R149 M150K61-V139 WeakPolarHBondContact CA-O 3.19Å; L62-V139 PolarHBondContact N-O 3.36Å; L62-V139 PolarHBondContact O-N 3.34Å; A99-V139 HydrophobicContact CB-CG2 3.62Å; I137-V139 HydrophobicContact CG2-CG2 4.25Å; V139-A141 HydrophobicContact CG1-CB 4.25Å; V139-N146 VanDerWaalsContact CB-OD1 3.3Å; V139-N146 WeakPolarHBondContact CB-OD1 3.24Å; V139-N146 WeakPolarHBondContact CG1-OD1 3.38Å; V139-N146 PolarHBondContact O-ND2 3.34Å; V139-N146 PolarHBondContact O-OD1 2.93Å; V139-R149 HydrophobicContact CG1-CB 3.9Å; V139-M150 HydrophobicContact CB-CE 4.15Å; V139-M150 HydrophobicContact CG2-CB 4.32Å; V139-M150 HydrophobicContact CG2-CE 3.74Å; V139-M150 HydrophobicContact CG2-SD 4.24Å
140T94.6Very high94.5Very high66 Ų6646.7 Ų46.741%0.40525%0.246SC..EExtended strand (participates in β ladder)trans-120.2101.6175.1-56.10000109.4M60 K61M60-T140 WeakPolarHBondContact O-CA 3.4Å; K61-T140 HydrophobicContact CG-CG2 4.03Å
141A93.1Very high94.7Very high3 Ų345.2 Ų45.23%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-155.1166.7-175.300000110.5M60 V139 E145 N146M60-A141 PolarHBondContact N-O 3.47Å; M60-A141 PolarHBondContact O-N 2.61Å; V139-A141 HydrophobicContact CG1-CB 4.25Å; A141-E145 HydrophobicContact CB-CB 4.21Å; A141-N146 HydrophobicContact CB-CB 4.1Å; A141-N146 PolarHBondContact N-ND2 3.08Å; A141-N146 VanDerWaalsContact N-ND2 3.18Å; A141-N146 PolarHBondContact O-ND2 3.4Å
142P92.4Very high94.9Very high50 Ų5045.8 Ų45.833%0.32524%0.235SC..EExtended strand (participates in β ladder)trans-54.8148.8167.5-22.534.4000111.3E145 N146P142-E145 PolarHBondContact O-N 2.97Å; P142-E145 VanDerWaalsContact O-N 3.15Å; P142-N146 WeakPolarHBondContact O-CB 3.37Å; P142-N146 PolarHBondContact O-N 2.68Å
143I90.2Very high95Very high17 Ų1740.9 Ų40.99%0.08721%0.213CC..Hα-helixtrans-45.1-55.3-169.5-63.3164.4000114.5L52 D53 L54 M60 N146 Y147L52-I143 HydrophobicContact CB-CD1 4.33Å; L52-I143 HydrophobicContact CD1-CG2 4.16Å; L52-I143 HydrophobicContact CD2-CD1 4.17Å; D53-I143 VanDerWaalsContact O-CD1 3.31Å; D53-I143 WeakPolarHBondContact O-CD1 3.46Å; L54-I143 HydrophobicContact CD2-CB 4.08Å; L54-I143 HydrophobicContact CD2-CD1 4.27Å; L54-I143 HydrophobicContact CD2-CG2 3.82Å; M60-I143 HydrophobicContact CB-CG1 4.27Å; M60-I143 HydrophobicContact CE-CB 4.39Å; M60-I143 HydrophobicContact CE-CG1 4.27Å; M60-I143 HydrophobicContact CE-CG2 4.05Å; M60-I143 HydrophobicContact SD-CG1 4.49Å; I143-N146 WeakPolarHBondContact O-CB 3.48Å; I143-N146 PolarHBondContact O-N 2.94Å; I143-Y147 HydrophobicContact CG2-CD2 4.39Å; I143-Y147 HydrophobicContact CG2-CE2 4.04Å; I143-Y147 VanDerWaalsContact O-CD2 3.31Å; I143-Y147 WeakPolarHBondContact O-CD2 3.35Å; I143-Y147 PolarHBondContact O-N 3.05Å
144P91.5Very high95Very high89 Ų8943.9 Ų43.958%0.57823%0.227SC*.Hα-helixtrans-65.6-43.1-177.624.9-34.3000112.9N146 L148P144-N146 VanDerWaalsContact C-N 3.26Å; P144-N146 PolarHBondContact O-N 3.05Å; P144-L148 PolarHBondContact O-N 3.35Å
145E92.6Very high95Very high87 Ų8748 Ų4841%0.40725%0.249SC..Hα-helixtrans-65.8-30.1176.5-66.8-174.1-164.700112.6A141 P142 L148 R149A141-E145 HydrophobicContact CB-CB 4.21Å; P142-E145 PolarHBondContact O-N 2.97Å; P142-E145 VanDerWaalsContact O-N 3.15Å; E145-L148 PolarHBondContact O-N 2.88Å; E145-R149 WeakPolarHBondContact O-CB 3.12Å; E145-R149 VanDerWaalsContact O-CG 3.27Å; E145-R149 WeakPolarHBondContact O-CG 3.42Å; E145-R149 PolarHBondContact O-N 3.2Å; E145-R149 IonicContact OE2-CZ 2.79Å; E145-R149 IonicContact OE2-NE 3.99Å; E145-R149 IonicContact OE2-NH2 3.36Å; E145-R149 PolarHBondContact OE2-NH2 2.74Å
146N94Very high94.9Very high0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-64.4-47.2-177.2-152.4-44.8000111.3M60 L62 V139 A141 P142 I143 P144 M150M60-N146 VanDerWaalsContact C-ND2 3.3Å; M60-N146 HydrophobicContact CE-CB 4.3Å; M60-N146 PolarHBondContact O-ND2 3.36Å; L62-N146 WeakPolarHBondContact CB-OD1 3.09Å; L62-N146 HydrophobicContact CD1-CB 4.17Å; L62-N146 VanDerWaalsContact CD1-OD1 3.31Å; L62-N146 WeakPolarHBondContact CD1-OD1 3.28Å; L62-N146 VanDerWaalsContact CG-OD1 3.23Å; L62-N146 WeakPolarHBondContact CG-OD1 3.34Å; V139-N146 VanDerWaalsContact CB-OD1 3.3Å; V139-N146 WeakPolarHBondContact CB-OD1 3.24Å; V139-N146 WeakPolarHBondContact CG1-OD1 3.38Å; V139-N146 PolarHBondContact O-ND2 3.34Å; V139-N146 PolarHBondContact O-OD1 2.93Å; A141-N146 HydrophobicContact CB-CB 4.1Å; A141-N146 PolarHBondContact N-ND2 3.08Å; A141-N146 VanDerWaalsContact N-ND2 3.18Å; A141-N146 PolarHBondContact O-ND2 3.4Å; P142-N146 WeakPolarHBondContact O-CB 3.37Å; P142-N146 PolarHBondContact O-N 2.68Å; I143-N146 WeakPolarHBondContact O-CB 3.48Å; I143-N146 PolarHBondContact O-N 2.94Å; P144-N146 VanDerWaalsContact C-N 3.26Å; P144-N146 PolarHBondContact O-N 3.05Å; N146-M150 VanDerWaalsContact O-CB 3.3Å; N146-M150 WeakPolarHBondContact O-CB 3.49Å; N146-M150 PolarHBondContact O-N 3.45Å
147Y94.4Very high94.8Very high121 Ų12148.8 Ų48.848%0.47525%0.253SS..Hα-helixtrans-64.3-41.8174.4-70.9-68.8000112.1M60 L62 I143 M150 A151M60-Y147 HydrophobicContact CE-CD2 4.23Å; M60-Y147 HydrophobicContact CE-CE2 3.56Å; L62-Y147 HydrophobicContact CD1-CD1 3.53Å; L62-Y147 HydrophobicContact CD1-CE1 3.6Å; L62-Y147 HydrophobicContact CD1-CG 4.05Å; L62-Y147 HydrophobicContact CD2-CE1 4.26Å; I143-Y147 HydrophobicContact CG2-CD2 4.39Å; I143-Y147 HydrophobicContact CG2-CE2 4.04Å; I143-Y147 VanDerWaalsContact O-CD2 3.31Å; I143-Y147 WeakPolarHBondContact O-CD2 3.35Å; I143-Y147 PolarHBondContact O-N 3.05Å; Y147-M150 PolarHBondContact O-N 3.23Å; Y147-A151 WeakPolarHBondContact O-CB 3.5Å; Y147-A151 PolarHBondContact O-N 3Å
148L95.3Very high94.7Very high126 Ų12654.3 Ų54.366%0.6628%0.277SS*.Hα-helixtrans-62.1-48.4178-17963.1000112.2P144 E145 M150 A151 H152P144-L148 PolarHBondContact O-N 3.35Å; E145-L148 PolarHBondContact O-N 2.88Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.98Å; L148-A151 PolarHBondContact O-N 3.17Å; L148-H152 WeakPolarHBondContact O-CB 3.43Å; L148-H152 PolarHBondContact O-N 3.09Å
149R96Very high94.5Very high83 Ų8358.8 Ų58.831%0.31330%0.296SS..Hα-helixtrans-65.1-36.9176.9-69.2179.2-159.3-158.65.9112.1V139 E145 A153V139-R149 HydrophobicContact CG1-CB 3.9Å; E145-R149 WeakPolarHBondContact O-CB 3.12Å; E145-R149 VanDerWaalsContact O-CG 3.27Å; E145-R149 WeakPolarHBondContact O-CG 3.42Å; E145-R149 PolarHBondContact O-N 3.2Å; E145-R149 IonicContact OE2-CZ 2.79Å; E145-R149 IonicContact OE2-NE 3.99Å; E145-R149 IonicContact OE2-NH2 3.36Å; E145-R149 PolarHBondContact OE2-NH2 2.74Å; R149-A153 VanDerWaalsContact O-CB 3.3Å; R149-A153 WeakPolarHBondContact O-CB 3.46Å; R149-A153 PolarHBondContact O-N 3.41Å
150M96.3Very high94.3Very high10 Ų1060.7 Ų60.75%0.04931%0.305CS..Hα-helixtrans-63.8-47.1175.3-175.561.477.600111.3L62 E64 I137 V139 N146 Y147 L148 A153 M154L62-M150 HydrophobicContact CB-CE 3.62Å; L62-M150 HydrophobicContact CD1-CB 4.49Å; E64-M150 HydrophobicContact CB-CE 4.2Å; E64-M150 HydrophobicContact CB-SD 3.94Å; E64-M150 HydrophobicContact CG-CE 4.08Å; E64-M150 HydrophobicContact CG-CG 4.32Å; E64-M150 HydrophobicContact CG-SD 3.97Å; I137-M150 HydrophobicContact CB-CE 4.47Å; I137-M150 HydrophobicContact CB-SD 3.99Å; I137-M150 HydrophobicContact CG2-CE 4.14Å; I137-M150 HydrophobicContact CG2-SD 3.61Å; V139-M150 HydrophobicContact CB-CE 4.15Å; V139-M150 HydrophobicContact CG2-CB 4.32Å; V139-M150 HydrophobicContact CG2-CE 3.74Å; V139-M150 HydrophobicContact CG2-SD 4.24Å; N146-M150 VanDerWaalsContact O-CB 3.3Å; N146-M150 WeakPolarHBondContact O-CB 3.49Å; N146-M150 PolarHBondContact O-N 3.45Å; Y147-M150 PolarHBondContact O-N 3.23Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.98Å; M150-A153 PolarHBondContact O-N 2.77Å; M150-M154 HydrophobicContact CG-SD 4.13Å; M150-M154 VanDerWaalsContact O-CG 3.31Å; M150-M154 WeakPolarHBondContact O-CG 3.47Å; M150-M154 PolarHBondContact O-N 3.15Å; M150-M154 HydrophobicContact SD-CG 4.45Å; M150-M154 HydrophobicContact SD-SD 4.45Å
151A96.3Very high94.2Very high49 Ų4958.3 Ų58.341%0.40529%0.289SS..Hα-helixtrans-59.2-49176.400000111.6Y147 L148 A153 M154 D155Y147-A151 WeakPolarHBondContact O-CB 3.5Å; Y147-A151 PolarHBondContact O-N 3Å; L148-A151 PolarHBondContact O-N 3.17Å; A151-A153 PolarHBondContact O-N 2.87Å; A151-M154 PolarHBondContact O-N 2.92Å; A151-M154 VanDerWaalsContact O-N 3.16Å; A151-D155 PolarHBondContact O-N 3.11Å
152H96.6Very high93.9Very high81 Ų8162.8 Ų62.838%0.37531%0.312SS..Hα-helixtrans-58.1-45.1176.5-177.6-129.7000112.3L148 M154 D155 E156L148-H152 WeakPolarHBondContact O-CB 3.43Å; L148-H152 PolarHBondContact O-N 3.09Å; H152-M154 VanDerWaalsContact C-N 3.34Å; H152-M154 PolarHBondContact O-N 3.07Å; H152-D155 PolarHBondContact O-N 2.98Å; H152-E156 PolarHBondContact O-N 3.2Å
153A96.5Very high93.4Very high0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-62.6-38.3176.200000113.1T97 A99 I137 R149 M150 A151 V157T97-A153 HydrophobicContact CG2-CB 4.05Å; A99-A153 HydrophobicContact CB-CB 3.79Å; I137-A153 HydrophobicContact CD1-CB 4.38Å; I137-A153 HydrophobicContact CG2-CB 3.97Å; R149-A153 VanDerWaalsContact O-CB 3.3Å; R149-A153 WeakPolarHBondContact O-CB 3.46Å; R149-A153 PolarHBondContact O-N 3.41Å; M150-A153 PolarHBondContact O-N 2.77Å; A151-A153 PolarHBondContact O-N 2.87Å; A153-V157 WeakPolarHBondContact O-CB 3.39Å; A153-V157 WeakPolarHBondContact O-CG2 3.28Å; A153-V157 PolarHBondContact O-N 3.01Å
154M95.8Very high92.7Very high79 Ų7966.5 Ų66.539%0.38933%0.327SS..Hα-helixtrans-67.4-42.2176.9-72.1176.969.400112.1I137 M150 A151 H152 V157 K158I137-M154 HydrophobicContact CD1-CG 4.01Å; M150-M154 HydrophobicContact CG-SD 4.13Å; M150-M154 VanDerWaalsContact O-CG 3.31Å; M150-M154 WeakPolarHBondContact O-CG 3.47Å; M150-M154 PolarHBondContact O-N 3.15Å; M150-M154 HydrophobicContact SD-CG 4.45Å; M150-M154 HydrophobicContact SD-SD 4.45Å; A151-M154 PolarHBondContact O-N 2.92Å; A151-M154 VanDerWaalsContact O-N 3.16Å; H152-M154 VanDerWaalsContact C-N 3.34Å; H152-M154 PolarHBondContact O-N 3.07Å; M154-V157 PolarHBondContact O-N 3.04Å; M154-K158 VanDerWaalsContact O-CB 3.28Å; M154-K158 WeakPolarHBondContact O-CB 3.47Å; M154-K158 PolarHBondContact O-N 2.99Å
155D95.9Very high91.2Very high92 Ų9269 Ų6949%0.49234%0.343SS..Hα-helixtrans-67.7-39.3178.2-85.2-29.9000112.7A151 H152 K158A151-D155 PolarHBondContact O-N 3.11Å; H152-D155 PolarHBondContact O-N 2.98Å; D155-K158 WeakPolarHBondContact O-CB 3.18Å; D155-K158 PolarHBondContact O-N 2.92Å
156E95Very high89.7Confident44 Ų4468 Ų6821%0.20636%0.355CS..Hα-helixtrans-66.8-46.4173.3-67.8-54.4137.600111.9L93 T97 H152 K158 K159 F160L93-E156 HydrophobicContact CD1-CB 3.42Å; L93-E156 VanDerWaalsContact CD1-CB 3.42Å; L93-E156 HydrophobicContact CD1-CG 4.2Å; T97-E156 HydrophobicContact CG2-CB 4.4Å; T97-E156 HydrophobicContact CG2-CG 4.24Å; H152-E156 PolarHBondContact O-N 3.2Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 3.45Å; E156-K159 WeakPolarHBondContact O-CB 3.48Å; E156-K159 PolarHBondContact O-N 3.31Å; E156-K159 VanDerWaalsContact O-N 3.17Å; E156-K159 IonicContact OE1-NZ 3.11Å; E156-K159 PolarHBondContact OE1-NZ 3.22Å; E156-K159 WeakPolarHBondContact OE2-CE 3.39Å; E156-K159 IonicContact OE2-NZ 3.31Å; E156-K159 PolarHBondContact OE2-NZ 3.26Å; E156-F160 WeakPolarHBondContact O-CD2 3.28Å
157V94.9Very high87.8Confident0 Ų073.6 Ų73.60%038%0.382CS..Hα-helixtrans-57.7-39.8176.2166.30000111.4L93 I101 V135 I137 A153 M154 K159 F160 L161L93-V157 HydrophobicContact CD2-CG2 3.98Å; I101-V157 HydrophobicContact CD1-CG2 4.31Å; V135-V157 HydrophobicContact CB-CG1 4.32Å; V135-V157 HydrophobicContact CG1-CG1 4.27Å; V135-V157 HydrophobicContact CG1-CG2 4.37Å; V135-V157 HydrophobicContact CG2-CG1 4.1Å; I137-V157 HydrophobicContact CD1-CG2 4.17Å; A153-V157 WeakPolarHBondContact O-CB 3.39Å; A153-V157 WeakPolarHBondContact O-CG2 3.28Å; A153-V157 PolarHBondContact O-N 3.01Å; M154-V157 PolarHBondContact O-N 3.04Å; V157-K159 VanDerWaalsContact C-N 3.26Å; V157-K159 PolarHBondContact O-N 3.3Å; V157-F160 PolarHBondContact O-N 3.4Å; V157-L161 HydrophobicContact CG1-CD1 3.9Å; V157-L161 HydrophobicContact CG1-CG 4.22Å; V157-L161 PolarHBondContact O-N 3.1Å
158K94.2Very high86Confident117 Ų11772.8 Ų72.851%0.50938%0.382SS..Hα-helixtrans-56.9-35.2179-179.9-179.2175-1730113M154 D155 E156 F160 L161 I162M154-K158 VanDerWaalsContact O-CB 3.28Å; M154-K158 WeakPolarHBondContact O-CB 3.47Å; M154-K158 PolarHBondContact O-N 2.99Å; D155-K158 WeakPolarHBondContact O-CB 3.18Å; D155-K158 PolarHBondContact O-N 2.92Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 3.45Å; K158-F160 VanDerWaalsContact C-N 3.27Å; K158-F160 PolarHBondContact O-N 3.28Å; K158-L161 PolarHBondContact O-N 2.9Å; K158-L161 VanDerWaalsContact O-N 3.13Å; K158-I162 HydrophobicContact CG-CD1 4.05Å; K158-I162 PolarHBondContact O-N 3.43Å
159K92.9Very high83.8Confident120 Ų12070.8 Ų70.852%0.52237%0.372SS..Hα-helixtrans-61.2-34.8176.5-59.6174.1-166.9171.90112.4E156 V157E156-K159 WeakPolarHBondContact O-CB 3.48Å; E156-K159 PolarHBondContact O-N 3.31Å; E156-K159 VanDerWaalsContact O-N 3.17Å; E156-K159 IonicContact OE1-NZ 3.11Å; E156-K159 PolarHBondContact OE1-NZ 3.22Å; E156-K159 WeakPolarHBondContact OE2-CE 3.39Å; E156-K159 IonicContact OE2-NZ 3.31Å; E156-K159 PolarHBondContact OE2-NZ 3.26Å; V157-K159 VanDerWaalsContact C-N 3.26Å; V157-K159 PolarHBondContact O-N 3.3Å
160F91.8Very high81.9Confident41 Ų4172.4 Ų72.418%0.1839%0.393CS..Hα-helixtrans-79.5-21.5177.2-60-86.7000113.4F78 K81 L82 T89 L93 E156 V157 K158F78-F160 WeakPolarHBondContact CD1-O 3.31Å; K81-F160 HydrophobicContact CG-CD1 4.26Å; L82-F160 HydrophobicContact CD2-CB 3.5Å; L82-F160 VanDerWaalsContact CD2-CB 3.5Å; L82-F160 HydrophobicContact CD2-CD1 4.49Å; L82-F160 HydrophobicContact CD2-CD2 3.92Å; L82-F160 HydrophobicContact CD2-CG 3.72Å; L82-F160 HydrophobicContact CG-CB 3.83Å; L82-F160 HydrophobicContact CG-CG 4.35Å; T89-F160 HydrophobicContact CG2-CE1 3.58Å; T89-F160 HydrophobicContact CG2-CZ 3.77Å; L93-F160 HydrophobicContact CD1-CE2 4.33Å; L93-F160 HydrophobicContact CD2-CE2 4.16Å; E156-F160 WeakPolarHBondContact O-CD2 3.28Å; V157-F160 PolarHBondContact O-N 3.4Å; K158-F160 VanDerWaalsContact C-N 3.27Å; K158-F160 PolarHBondContact O-N 3.28Å
161L92Very high80Confident16 Ų1681.9 Ų81.98%0.08443%0.43CS..Hα-helixtrans-87.5-12.3-179.3-62-178.2000113.7V66 I68 F78 L82 V157 K158V66-L161 HydrophobicContact CG1-CD1 3.65Å; I68-L161 HydrophobicContact CB-CD2 4.29Å; I68-L161 HydrophobicContact CD1-CD2 4.31Å; I68-L161 HydrophobicContact CG1-CD2 3.91Å; I68-L161 HydrophobicContact CG2-CD2 4Å; F78-L161 HydrophobicContact CD1-CD2 4.42Å; F78-L161 VanDerWaalsContact CE1-O 3.25Å; F78-L161 WeakPolarHBondContact CE1-O 3.49Å; L82-L161 HydrophobicContact CD1-CD2 4.15Å; V157-L161 HydrophobicContact CG1-CD1 3.9Å; V157-L161 HydrophobicContact CG1-CG 4.22Å; V157-L161 PolarHBondContact O-N 3.1Å; K158-L161 PolarHBondContact O-N 2.9Å; K158-L161 VanDerWaalsContact O-N 3.13Å
162I88.1Confident78.2Confident97 Ų9786 Ų8650%0.49744%0.443SS..SBendtrans-98.3118.5174.3-62.3171.1000108.1K158 E164K158-I162 HydrophobicContact CG-CD1 4.05Å; K158-I162 PolarHBondContact O-N 3.43Å; I162-E164 PolarHBondContact O-N 2.95Å
163P80.8Confident76.1Confident27 Ų2785.9 Ų85.918%0.17545%0.445CS..PPolyproline II helixtrans-65.9131.3170.2-17.331.3000110.1Y73 V76 F78Y73-P163 HydrophobicContact CD1-CG 3.85Å; Y73-P163 HydrophobicContact CD2-CG 3.9Å; Y73-P163 HydrophobicContact CE1-CG 4.11Å; Y73-P163 HydrophobicContact CE2-CG 4.17Å; Y73-P163 HydrophobicContact CG-CG 3.73Å; V76-P163 HydrophobicContact CG2-CB 4.41Å; V76-P163 HydrophobicContact CG2-CG 4.16Å; F78-P163 HydrophobicContact CE1-CG 4.19Å; F78-P163 HydrophobicContact CZ-CG 4.08Å
164E75.8Confident74.3Confident117 Ų11791 Ų9155%0.54748%0.478SS..PPolyproline II helixtrans-72.2133.3174.4-71.5-174.7-162.900110.5I162 G166I162-E164 PolarHBondContact O-N 2.95Å; E164-G166 PolarHBondContact O-N 2.89Å
165P60.4Low72.3Confident143 Ų14393.5 Ų93.593%0.92949%0.488SS*.THydrogen-bonded Turntrans-74.278.4177.531.5-34.8000110.5
166G60.1Low70.5Confident64 Ų6498 Ų9866%0.6650%0.504SS*.THydrogen-bonded Turntrans169.9-35.7176.800000114.4E164 H168E164-G166 PolarHBondContact O-N 2.89Å; G166-H168 PolarHBondContact O-N 2.74Å
167E54.3Low68.8Low118 Ų118103.5 Ų103.555%0.55153%0.534SS*.THydrogen-bonded Turntrans-69.5-18.7180-69.5-166119.300113.7K81K81-E167 IonicContact NZ-OE2 2.68Å; K81-E167 PolarHBondContact NZ-OE2 3.15Å
168H56.7Low67.1Low104 Ų104110 Ų11048%0.48157%0.569SS.*  trans-106.659.9-178.7-71.271.3000111.4G166 P170G166-H168 PolarHBondContact O-N 2.74Å; H168-P170 WeakPolarHBondContact O-CD 3.24Å
169D49.9Very low65.1Low84 Ų84107.7 Ų107.745%0.44958%0.579SS.*  trans-59.5122.3160.6-169.8-22.8000108.4Y171 M172D169-Y171 PolarHBondContact O-N 3.34Å; D169-Y171 PolarHBondContact OD1-N 3.39Å; D169-Y171 VanDerWaalsContact OD1-N 3.15Å; D169-M172 HydrophobicContact CB-CG 4.33Å; D169-M172 PolarHBondContact O-N 3.11Å; D169-M172 VanDerWaalsContact O-N 3.11Å
170P55.8Low62.8Low117 Ų117105.8 Ų105.876%0.7658%0.58SS**THydrogen-bonded Turntrans-57.6-10.8179.2-26.136000115.1H168H168-P170 WeakPolarHBondContact O-CD 3.24Å
171Y57.3Low60.8Low210 Ų210112.8 Ų112.882%0.82461%0.613SS**THydrogen-bonded Turntrans-96.5-1.5179.2-72-85.5000115.5D169 D173D169-Y171 PolarHBondContact O-N 3.34Å; D169-Y171 PolarHBondContact OD1-N 3.39Å; D169-Y171 VanDerWaalsContact OD1-N 3.15Å; Y171-D173 PolarHBondContact O-N 3.21Å; Y171-D173 VanDerWaalsContact O-N 3.15Å
172M57.1Low58.5Low135 Ų135119.6 Ų119.667%0.66565%0.65SS**  trans-68.1114.3177.5-83.3-66.9169.900111.9D169D169-M172 HydrophobicContact CB-CG 4.33Å; D169-M172 PolarHBondContact O-N 3.11Å; D169-M172 VanDerWaalsContact O-N 3.11Å
173D52.4Low56.2Low79 Ų79118.3 Ų118.342%0.42266%0.661SS.*  trans-62.5125-175.4-166.9-32.4000110.8Y171 Q175 F176Y171-D173 PolarHBondContact O-N 3.21Å; Y171-D173 VanDerWaalsContact O-N 3.15Å; D173-Q175 PolarHBondContact O-N 3.45Å; D173-Q175 VanDerWaalsContact OD1-CG 3.31Å; D173-Q175 WeakPolarHBondContact OD1-CG 3.34Å; D173-Q175 PolarHBondContact OD1-N 3.11Å; D173-F176 PolarHBondContact O-N 3.45Å
174P59.1Low54.7Low106 Ų106123.6 Ų123.669%0.68870%0.698SS**THydrogen-bonded Turntrans-58-11.2-178.422.5-34.8000114.8F176P174-F176 VanDerWaalsContact C-N 3.33Å; P174-F176 PolarHBondContact O-N 3.19Å
175Q54.4Low53Low132 Ų132121 Ų12162%0.61770%0.703SS**THydrogen-bonded Turntrans-62.9-33.3172.4-65.5-179.220.600113.4D173 L177 N178D173-Q175 PolarHBondContact O-N 3.45Å; D173-Q175 VanDerWaalsContact OD1-CG 3.31Å; D173-Q175 WeakPolarHBondContact OD1-CG 3.34Å; D173-Q175 PolarHBondContact OD1-N 3.11Å; Q175-L177 PolarHBondContact O-N 3.2Å; Q175-N178 PolarHBondContact O-N 3.39Å
176F57Low52.1Low186 Ų186126.2 Ų126.282%0.81670%0.704SS**THydrogen-bonded Turntrans-70.8-28-178.3-86.9-90.1000113.9D173 P174D173-F176 PolarHBondContact O-N 3.45Å; P174-F176 VanDerWaalsContact C-N 3.33Å; P174-F176 PolarHBondContact O-N 3.19Å
177L60.8Low50.9Low161 Ų161127 Ų12784%0.84371%0.712SS**THydrogen-bonded Turntrans-87.8-11.7-178.2-163.164.4000113.2Q175Q175-L177 PolarHBondContact O-N 3.2Å
178N57.7Low50.1Low135 Ų135133.7 Ų133.772%0.72273%0.732SS**THydrogen-bonded Turntrans-103.714.2-173.3-160.137.5000114.6Q175 S180Q175-N178 PolarHBondContact O-N 3.39Å; N178-S180 VanDerWaalsContact C-N 3.31Å; N178-S180 PolarHBondContact O-N 2.95Å; N178-S180 VanDerWaalsContact O-N 3.13Å
179G52Low49Very low70 Ų70132.7 Ų132.772%0.72275%0.75SS**THydrogen-bonded Turntrans64.421.716200000117.1Q181G179-Q181 PolarHBondContact O-N 3.36Å
180S45.6Very low48.7Very low79 Ų79132.1 Ų132.155%0.55276%0.764SS**  trans-79.177.717957.20000112.2N178 D182N178-S180 VanDerWaalsContact C-N 3.31Å; N178-S180 PolarHBondContact O-N 2.95Å; N178-S180 VanDerWaalsContact O-N 3.13Å; S180-D182 PolarHBondContact O-N 3.47Å
181Q49.1Very low47.8Very low188 Ų188135.2 Ų135.288%0.87977%0.773SS**  trans-79.756.8168.3-166171.313.700111.6G179G179-Q181 PolarHBondContact O-N 3.36Å
182D43.9Very low46.9Very low160 Ų160129 Ų12986%0.85677%0.773SS**  trans-13782.4176.8-78.5-55.8000109.3S180S180-D182 PolarHBondContact O-N 3.47Å
183G40.6Very low45.9Very low70 Ų70134.5 Ų134.572%0.72279%0.786SS**  trans-177.731.8-168.900000117.2G185G183-G185 PolarHBondContact O-N 3.4Å
184S48.2Very low45.1Very low137 Ų137134.7 Ų134.796%0.95881%0.806SS**  trans-72.860.4172.142.40000112
185G41.2Very low43.8Very low62 Ų62141.9 Ų141.964%0.63982%0.82SS**  trans-127.370.6-168.300000114.4G183G183-G185 PolarHBondContact O-N 3.4Å
186R41.1Very low42.7Very low253 Ų253139.4 Ų139.496%0.95583%0.83SS**  trans47.7111.5154.4-58.3178.4-179.9-179.3-0.2118.6
187G35.4Very low41.5Very low80 Ų80134 Ų13483%0.82583%0.826SS**  trans-167.793.8164.100000118.2
188R36.5Very low41.1Very low260 Ų260132.3 Ų132.398%0.98183%0.825SS**  trans73.795.8144.8-153.5178.4-158.91774.6119.5
189G33.8Very low40.4Very low83 Ų83132 Ų13286%0.85683%0.83SS**  trans-147.277159.500000110.4
190G43Very low39.5Very low72 Ų72132.2 Ų132.274%0.74283%0.833SS**  trans-98.4119.2-174.300000112.8
191L38.1Very low39.2Very low182 Ų182133.9 Ų133.995%0.95385%0.851SS**  trans-135.5107.5163.8-74.8177.1000109.7
192G37.1Very low38.4Very low79 Ų79128.9 Ų128.981%0.81485%0.85SS**  trans-93.8120.8170.500000111
193R37.3Very low37.9Very low251 Ų251125 Ų12595%0.94785%0.848SS**  trans-142.2106.5155.4-82.7-166.7173.8-161.8-0.8108.7
194G34.4Very low38.3Very low82 Ų82126.7 Ų126.785%0.84585%0.846SS**  trans-90143.816500000110.5
195R32.9Very low37.8Very low258 Ų258131.4 Ų131.497%0.97484%0.843SS**  trans179121.9147-171.8169-173.9174.20.5109.8
196G31.1Very low37.6Very low80 Ų80137.4 Ų137.483%0.82585%0.852SS**  trans119.3110.7161.300000117.1
197G31.2Very low38.1Very low72 Ų72129.8 Ų129.874%0.74284%0.835SS**  trans-135.5-164.9139.700000106.6
198P52.9Low37.9Very low126 Ų126135.7 Ų135.782%0.81884%0.838SS**  cis-118.4-141.5-11.342.6-25000108
199P43.4Very low38.6Very low128 Ų128128.3 Ų128.383%0.83182%0.824SS**  cis-121-175.2-16.240.6-23.1000112.6
200G32.4Very low38.6Very low75 Ų75136.5 Ų136.577%0.77383%0.829SS**  cis157.5121.9-8.700000111.8
201A38.9Very low37.9Very low113 Ų113136.5 Ų136.593%0.93483%0.829SS**  trans-173.6147.1167.800000107.6
202G32.9Very low37.7Very low84 Ų84140.2 Ų140.287%0.86683%0.831SS**  cis164.1115.3-5.800000108.7
203G33.7Very low37.4Very low78 Ų78140.1 Ų140.180%0.80483%0.83SS**  trans150.5110.7179.900000115.3
204P49.5Very low37.5Very low106 Ų106137 Ų13769%0.68883%0.828SS**  trans-102.3162.7179.438-33000113.4
205R36.2Very low38.6Very low236 Ų236137.8 Ų137.889%0.89182%0.818SS**  175.999.1124.9-68.6-133.9-175.5-138-5.7112.6
206F37.6Very low38.7Very low188 Ų188137.4 Ų137.483%0.82582%0.817SS**  29.7163.2126.7-64-70.2000123.3
207P51.1Low38.7Very low93 Ų93136.5 Ų136.560%0.60481%0.808SS**  -148.8130.9-64.938.7-16.8000117.9
208F32Very low39Very low204 Ų204140.4 Ų140.490%0.89581%0.812SS**  trans57.1-176.6150.2-56.7-58.3000120
209P50.4Low38.2Very low105 Ų105141.5 Ų141.568%0.68281%0.81SS**  cis-132.3172.4-23.8230.4000116.8
210R33.7Very low37.8Very low254 Ų254147.4 Ų147.496%0.95882%0.815SS**  trans66142141.6-88.2-179.8162.5126.3-4.3123.8
211G30Very low37.8Very low72 Ų72147 Ų14774%0.74281%0.812SS**  trans115.7109147.200000114
212R33.6Very low37.7Very low261 Ų261146.2 Ų146.299%0.98581%0.805SS**  74.8108.862.4-173.9175.9-177.5153.51.1113.6
213G31.1Very low38Very low77 Ų77150 Ų15079%0.79480%0.802SS**  trans149.3101.5159.200000117.6
214M39.3Very low38Very low185 Ų185157.7 Ų157.791%0.91181%0.807SS**  trans-89.5170.9141.4-140.386165.500106.6
215P56.3Low37Very low98 Ų98156.4 Ų156.464%0.63681%0.812SS**  cis-136.4-177.9-8.942.8-26.2000115.2
216R35Very low36.9Very low250 Ų250149 Ų14994%0.94381%0.81SS**  trans67.3146.5166.3-54.8-178.9-179.9-163.9-1115.6
217G31.2Very low36.9Very low62 Ų62146.6 Ų146.664%0.63981%0.81SS**  cis156.9154.6-5.400000110
218N36.8Very low36.8Very low154 Ų154147.5 Ų147.582%0.82482%0.817SS**  trans171.8131.7139.1-91.6-1.4000116.9
219L36.2Very low37Very low149 Ų149149.6 Ų149.678%0.7882%0.818SS**  trans48.9116.6144.8-73.187.2000122.8
220R35.3Very low36.1Very low251 Ų251148.4 Ų148.495%0.94783%0.826SS**  -152.4127.1104.3-121.8179.6-176-179.11.6113
221G33.6Very low36.1Very low68 Ų68139.8 Ų139.870%0.70182%0.815SS**  trans71.2109.7154.400000117.5
222A36.4Very low36.3Very low95 Ų95145 Ų14579%0.78582%0.823SS**  59120.565.900000112.2
223M39.5Very low36.3Very low163 Ų163137.5 Ų137.580%0.80381%0.81SS**  cis-140.1144.57.9-83.2-65.7-175.900109.1
224R32.4Very low36.5Very low241 Ų241145.4 Ų145.491%0.90982%0.816SS**  44119.598-150.9-171.2-153-168.57.4113.2
225G30.2Very low36.1Very low78 Ų78139.7 Ų139.780%0.80481%0.805SS**  cis149.9156.53.500000109.4
226G33.6Very low35.1Very low81 Ų81143.1 Ų143.184%0.83582%0.818SS**  trans145.387.3172.800000116.8
227T37.6Very low35.3Very low137 Ų137135.5 Ų135.584%0.8481%0.808SS**  trans-78.3172.9145.455.40000108.4
228P49Very low36.4Very low113 Ų113137.6 Ų137.673%0.73481%0.811SS**  cis-146.1172.515.144.8-25.6000118.4
229R36.1Very low36.4Very low247 Ų247142 Ų14293%0.93282%0.816SS**  trans33.1122132.7-164.1177.6-169.9155.42121.6
230G31.8Very low36.2Very low81 Ų81139 Ų13984%0.83582%0.82SS**  trans131.3150.1161.800000111.9
231G32.6Very low36.4Very low72 Ų72131.7 Ų131.774%0.74281%0.814SS**  cis165.4129.2-6.600000111.3
232M35.2Very low37.3Very low183 Ų183134.2 Ų134.290%0.90182%0.818SS**  trans52.1118.2162.6-95.871.592.100123.3
233S33.2Very low37.4Very low103 Ų103134.6 Ų134.672%0.7282%0.821SS**  98.7148.1118.3-1550000122.3
234R35.4Very low37.2Very low242 Ų242130.4 Ų130.491%0.91382%0.82SS**  trans74136.1171.2-49.2-178.8-173.81771.9116.4
235G31.8Very low37.3Very low66 Ų66131.5 Ų131.568%0.6882%0.824SS**  cis176.8-177.4-4.800000113.8
236N33.8Very low37.5Very low169 Ų169131.7 Ų131.790%0.90483%0.826SS**  trans63.7117.8162.6-67.518.3000121.5
237A39.8Very low37.8Very low90 Ų90131.4 Ų131.474%0.74482%0.823SS**  trans-83.3-168.2145.500000109.2
238P54.1Low38.8Very low106 Ų106131 Ų13169%0.68882%0.823SS**  cis-146.1-173.12.744.4-24.7000117.4
239R37.5Very low39Very low248 Ų248131.6 Ų131.694%0.93683%0.826SS**  trans66.3135.5146.9-81.1171.4179.8167.7-0121.7
240G32.3Very low39.1Very low84 Ų84125.5 Ų125.587%0.86682%0.821SS**  trans173.796.7158.400000115.1
241A37.5Very low39.6Very low98 Ų98126.3 Ų126.381%0.8182%0.821SS**  trans-126.5-175.5161.300000107
242P53.3Low39.9Very low121 Ų121127.5 Ų127.579%0.78682%0.823SS**  cis-145.8-166.35.541.1-18.7000116.7
243A39.2Very low39.9Very low104 Ų104123 Ų12386%0.8682%0.815SS**  trans92.2147.8139.300000124.1
244G34.5Very low40Very low75 Ų75129.7 Ų129.777%0.77383%0.825SS**  trans110.2102168.300000114
245R35.2Very low39.8Very low264 Ų264122.2 Ų122.2100%0.99682%0.823SS**  cis80.4102.945.4-162.5-176.6-170.4-177.34114.4
246G33.9Very low39.9Very low82 Ų82123 Ų12385%0.84583%0.831SS**  trans-177.9138169.900000112.2
247G39.7Very low40.2Very low75 Ų75120.7 Ų120.777%0.77383%0.828SS**  trans-101.6-172.8-170.100000116.4
248P58.6Low40Very low129 Ų129122.2 Ų122.284%0.83883%0.833SS**  trans-98.8164.7-163.539.2-37.2000115.4
249P52.7Low39.2Very low125 Ų125120.3 Ų120.381%0.81283%0.833SS**  -138.6172.5127.136.5-22.7000111.1
250S37.9Very low39.1Very low118 Ų118120.2 Ų120.283%0.82583%0.833SS**  cis-154.2172.8-11.450.30000108.2
251A42.3Very low39.3Very low99 Ų99121.2 Ų121.282%0.81883%0.827SS**  trans-132.7142.3163.200000109.8
252A40.5Very low39.4Very low97 Ų97127.8 Ų127.880%0.80283%0.83SS**  trans174.1145.6141.100000113.3
253A34.5Very low39.7Very low89 Ų89127.4 Ų127.474%0.73683%0.828SS**  trans69.2158146.100000119.1
254R34.6Very low40.5Very low242 Ų242128.6 Ų128.691%0.91383%0.827SS**  cis-168.8145-21.9-110175.3169.3164.4-5.1107.6
255G32.7Very low40.7Very low85 Ų85129.7 Ų129.788%0.87683%0.829SS**  trans71167161.800000115.7
256G33.5Very low40.8Very low82 Ų82123 Ų12385%0.84582%0.822SS**  cis-162163.9-0.700000111.5
257S39.8Very low40.8Very low121 Ų121122.9 Ų122.985%0.84682%0.822SS**  trans-80.1149.4-171560000115.5
258S36.7Very low40.6Very low122 Ų122123.6 Ų123.685%0.85382%0.82SS**  trans-160.4146.8132.858.90000110.2
259G36.7Very low39.5Very low67 Ų67125.9 Ų125.969%0.69182%0.82SS**  cis139.4110.3-13.900000113.7
260R34.8Very low38.6Very low246 Ų246130.1 Ų130.193%0.92882%0.82SS**  trans167.1146.4155.1-98.9166.7-178.8-133.1-0.8109.6
261S36.1Very low38.4Very low105 Ų105132.8 Ų132.873%0.73482%0.821SS**  cis-166141.5-20.534.40000110.4
262R39.3Very low38.4Very low235 Ų235135.6 Ų135.689%0.88782%0.821SS**  trans-76.1-172.4164.1-107.7175.5156.8-169.4-5.7110.6
263P59.9Low38.8Very low114 Ų114137 Ų13774%0.7482%0.822SS**  cis-117-140.2-20.530.2-5.9000107.7
264P56.4Low38.9Very low128 Ų128137.3 Ų137.383%0.83183%0.825SS**  cis-125.8-126.4-10.540.6-19.4000114.8
265A37.8Very low38.8Very low99 Ų99130.4 Ų130.482%0.81882%0.819SS**  trans-155.3160.5-156.400000115
266S38.1Very low38.8Very low122 Ų122130.4 Ų130.485%0.85381%0.811SS**  trans-157.1149.9145.152.50000110.2
267G34Very low39.1Very low81 Ų81134.2 Ų134.284%0.83581%0.811SS**  trans-74.5-152.8-166.200000116.8
268A34.7Very low38.8Very low90 Ų90134 Ų13474%0.74481%0.81SS**  cis-162.1149-600000109.7
269Q36.1Very low38.8Very low176 Ų176136.9 Ų136.982%0.82281%0.81SS**  trans56146.6150-70.8-169.8-22.100123.7
270R34.5Very low38.7Very low215 Ų215142.8 Ų142.881%0.81182%0.819SS**  trans84.5109.1147.6-81.5172.4176.8-116.7-1.1121.3
271M33.9Very low38.6Very low173 Ų173135.9 Ų135.985%0.85282%0.815SS**  72.2126.8121.8-66.1-72.2144.200121.1
272L40.9Very low38.2Very low159 Ų159134.4 Ų134.483%0.83282%0.816SS**  trans-49.1163.2151.1-64.9172.1000111.4
273P49.9Very low38.8Very low126 Ų126129.5 Ų129.582%0.81882%0.815SS**  cis-152.7-166.444.843-19.7000118.1
274A36.3Very low37.4Very low95 Ų95130.2 Ų130.279%0.78582%0.823SS**  trans-63.5163.9178.600000115.3
275A33.7Very low36.3Very low97 Ų97127 Ų12780%0.80281%0.813SS**  172.6164.2114.100000113.8
276A32.4Very low36.2Very low85 Ų85127.9 Ų127.970%0.70281%0.813SS**  trans81.2122.6144.700000122.2
277L38.8Very low35.9Very low162 Ų162129.6 Ų129.685%0.84881%0.807SS**  trans30.7131.7132.5-69.977000119.9
278S33.4Very low36.3Very low118 Ų118131.4 Ų131.483%0.82580%0.804SS**  177.5168.897.247.50000112.4
279H37.4Very low36.2Very low182 Ų182135.5 Ų135.584%0.84381%0.805SS**  trans-92.7154-171.8-71.1-101.5000113.6
280Q33.6Very low36.2Very low191 Ų191132.9 Ų132.989%0.89380%0.803SS**  trans71.2107.5134.5-176.8179.575.400120.6
281A32.7Very low36Very low101 Ų101130.6 Ų130.684%0.83580%0.802SS**  trans-168.5141.213200000111
282G27.8Very low36.7Very low74 Ų74127.3 Ų127.376%0.76379%0.794SS**  trans-99.2-144.9173.500000112.3
283P51.9Low36.2Very low132 Ų132127.3 Ų127.386%0.85778%0.784SS**  cis-140.7-160.1-742.9-23.6000114.4
284S31.6Very low35.5Very low129 Ų129128.3 Ų128.390%0.90278%0.782SS**  trans96128.6166-157.40000117.4
285G33.2Very low35.4Very low61 Ų61129.9 Ų129.963%0.62977%0.773SS**  cis-176.6178.2-0.800000116.8
286S34.7Very low35.4Very low116 Ų116135.6 Ų135.681%0.81178%0.775SS**  trans58.295.116056.70000122.9
287Q32.3Very low35.4Very low159 Ų159134.7 Ų134.774%0.74378%0.775SS**  37.3154.6112.5-73.5-81-52.500121.5
288P43.4Very low35.2Very low118 Ų118132.7 Ų132.777%0.76677%0.774SS**  cis-137.3-177.720.238.6-17.3000118.9
289K32.5Very low35.3Very low176 Ų176137.1 Ų137.177%0.76577%0.774SS**  trans-56.3158.3-173.1-47.3172.8176.6179.70119.7
290P34.8Very low35.3Very low121 Ų121137.6 Ų137.679%0.78678%0.777SS**  trans-101.7169139.939.3-30.6000112.5
291E31.7Very low35.3Very low167 Ų167135.8 Ų135.878%0.7877%0.769SS**  trans153.9156.2164-91.9-73.3134.200108.5
292P47.8Very low35.4Very low105 Ų105136.5 Ų136.568%0.68277%0.767SS**  cis-138.3173.55.845.2-28.7000117.9
293Y29.8Very low35.8Very low159 Ų159144.1 Ų144.162%0.62478%0.775SS**  trans68.4116.2140.2-117.7-110.9000125.8E295Y293-E295 HydrophobicContact CD1-CB 4.37Å; Y293-E295 HydrophobicContact CE1-CB 3.88Å; Y293-E295 VanDerWaalsContact CE1-OE2 3.28Å; Y293-E295 WeakPolarHBondContact CE1-OE2 3.46Å; Y293-E295 PolarHBondContact OH-OE2 3.05Å
294D36.8Very low35.4Very low147 Ų147142.3 Ų142.379%0.78677%0.771SS**  -176.1107.7113.8-87.5-25.6000105.7
295E33.8Very low35.7Very low128 Ų128145.3 Ų145.360%0.59877%0.771SS**  55.9122.580.9-166.1141.3-132.700112.7Y293Y293-E295 HydrophobicContact CD1-CB 4.37Å; Y293-E295 HydrophobicContact CE1-CB 3.88Å; Y293-E295 VanDerWaalsContact CE1-OE2 3.28Å; Y293-E295 WeakPolarHBondContact CE1-OE2 3.46Å; Y293-E295 PolarHBondContact OH-OE2 3.05Å
296Y33.7Very low36.3Very low216 Ų216148.1 Ų148.185%0.84778%0.778SS**  cis-155.3160.721.2-167.1-115.1000112.2
297G32.8Very low36.5Very low67 Ų67148.2 Ų148.269%0.69178%0.779SS**  trans98.884.1144.500000120
298S34.3Very low37Very low120 Ų120150.7 Ų150.784%0.83978%0.783SS**  trans-132.1116.8148.7-171.60000109
299Y34.9Very low37.1Very low210 Ų210153.4 Ų153.482%0.82479%0.785SS**  trans-87.4110.9178.9-132.4-91.8000108.1E301Y299-E301 WeakPolarHBondContact CE1-OE2 3.31Å
300E37.2Very low37.5Very low193 Ų193147.8 Ų147.890%0.90278%0.777SS**  trans-137.4111.6162.5-153.1168.7-135.100107.9
301E33.8Very low37.8Very low153 Ų153151.5 Ų151.572%0.71578%0.777SS**  trans-107.6139.5-168.4-170.1162.8-171.800110.4Y299 Y303Y299-E301 WeakPolarHBondContact CE1-OE2 3.31Å; E301-Y303 PolarHBondContact O-N 3.15Å
302S35.7Very low38.5Very low115 Ų115150.6 Ų150.680%0.80478%0.777SS**  trans-55.4130.3-166.9-52.20000114.8
303Y35.8Very low38.4Very low235 Ų235152.3 Ų152.392%0.92278%0.781SS**  trans-127126.7153-108.6-96.5000110E301E301-Y303 PolarHBondContact O-N 3.15Å
304A41.9Very low38.9Very low94 Ų94153.6 Ų153.678%0.77779%0.786SS**PPolyproline II helixtrans-88.1127.2179.700000110.5
305E38.1Very low39.4Very low191 Ų191157.4 Ų157.489%0.89379%0.791SS**PPolyproline II helixtrans-75.2136.2167.5-79.9-156.9141.400111.3
306P45.9Very low40.6Very low121 Ų121156 Ų15679%0.78680%0.795SS**PPolyproline II helixtrans-83.2143.316733.1-31.8000111.9
307S40.1Very low41.4Very low118 Ų118154 Ų15483%0.82579%0.794SS**PPolyproline II helixtrans-57.4132.5-178.4-44.40000113.9E309S307-E309 PolarHBondContact O-N 3.06Å
308Y41.2Very low41.9Very low210 Ų210158.6 Ų158.682%0.82480%0.797SS**  trans-74.6106.6175-169.3-92.5000111.2
309E47.3Very low42.5Very low176 Ų176158.8 Ų158.882%0.82280%0.795SS**  trans-74.1142.7176.6-72.4-170.514100112.6S307S307-E309 PolarHBondContact O-N 3.06Å
310G40.1Very low43Very low57 Ų57153.1 Ų153.159%0.58879%0.792SS**  trans-73.2140.1-173.800000114.4D312G310-D312 PolarHBondContact O-N 3.44Å
311Y41.3Very low43.3Very low200 Ų200149.1 Ų149.178%0.78478%0.783SS**G310 helixtrans-78.117-172.9-129.4-93.2000115.2
312D47.1Very low44Very low147 Ų147146.5 Ų146.579%0.78679%0.787SS**G310 helixtrans-81.4-16.3-175.5-77.4-69.3000114.4G310G310-D312 PolarHBondContact O-N 3.44Å
313N44.4Very low44.5Very low142 Ų142148.8 Ų148.876%0.75979%0.79SS**G310 helixtrans-83.3-8.3-174-94.9-28.5000115.4
314Y41.4Very low44.9Very low185 Ų185143.6 Ų143.673%0.72578%0.784SS**G310 helixtrans-82.4-17.2-176-149.3-97.4000114.1
315Y47.3Very low44.9Very low228 Ų228146.6 Ų146.689%0.89478%0.781SS**G310 helixtrans-86.4-5.6-175.7-113-84.2000115.2
316S59Low44.7Very low99 Ų99147 Ų14769%0.69278%0.776SS**SBendtrans-113.46.8-167.2-62.10000115.4
317Q50.4Low44.3Very low174 Ų174150 Ų15081%0.81377%0.773SS**SBendtrans-140.835.5-173-74.4-163.239.700116.7
318Q42.6Very low44.3Very low162 Ų162149.7 Ų149.776%0.75776%0.762SS**  trans-134.1124.6160.6-72.8-164.1-13.400112.8
319P46.4Very low44.4Very low124 Ų124150.3 Ų150.381%0.80577%0.765SS**PPolyproline II helixtrans-70.7138.4165.130.5-32.2000109.6
320A45.4Very low43.8Very low92 Ų92144 Ų14476%0.7675%0.748SS**PPolyproline II helixtrans-62.8132.8-175.300000111.9A322A320-A322 PolarHBondContact O-N 3.28Å
321P43.4Very low43.9Very low109 Ų109150.8 Ų150.871%0.70876%0.763SS**PPolyproline II helixtrans-66.1132.8166.828.2-32.3000109.5D323P321-D323 VanDerWaalsContact C-N 3.32Å; P321-D323 PolarHBondContact O-N 3.21Å
322A48.9Very low43.6Very low98 Ų98144.9 Ų144.981%0.8176%0.764SS**SBendtrans-7685174.500000109.9A320A320-A322 PolarHBondContact O-N 3.28Å
323D45.6Very low43Very low162 Ų162147.1 Ų147.187%0.86677%0.769SS**  trans-172.265.2156.3-89.8-27.2000109.1P321P321-D323 VanDerWaalsContact C-N 3.32Å; P321-D323 PolarHBondContact O-N 3.21Å
324T44.6Very low42.8Very low127 Ų127144.9 Ų144.978%0.77977%0.77SS**  trans-98.399.5166.750.70000109.4Y326T324-Y326 PolarHBondContact O-N 3.01Å
325E42.1Very low42.6Very low156 Ų156144.9 Ų144.973%0.72978%0.777SS**  trans-62.6103.1170.8-68.9-172.7167.400110Y327E325-Y327 HydrophobicContact CB-CD2 4.31Å; E325-Y327 HydrophobicContact CB-CE2 4Å; E325-Y327 PolarHBondContact O-N 3.07Å; E325-Y327 VanDerWaalsContact O-N 3.07Å
326Y33.8Very low42.1Very low199 Ų199141.7 Ų141.778%0.7878%0.776SS**  trans-7395.4175.1-178.5-98.3000109.3T324 D328T324-Y326 PolarHBondContact O-N 3.01Å; Y326-D328 VanDerWaalsContact C-N 3.27Å; Y326-D328 HydrophobicContact CD1-CB 3.9Å; Y326-D328 HydrophobicContact CE1-CB 3.7Å; Y326-D328 PolarHBondContact O-N 2.69Å
327Y38.7Very low41.3Very low184 Ų184142.2 Ų142.272%0.72278%0.777SS**  trans-72.686.3169.3-83.7-89.8000110E325 Y329E325-Y327 HydrophobicContact CB-CD2 4.31Å; E325-Y327 HydrophobicContact CB-CE2 4Å; E325-Y327 PolarHBondContact O-N 3.07Å; E325-Y327 VanDerWaalsContact O-N 3.07Å; Y327-Y329 PolarHBondContact O-N 2.97Å; Y327-Y329 VanDerWaalsContact O-N 3.09Å
328D39.6Very low40.7Very low113 Ų113139.1 Ų139.160%0.60477%0.774SS**  trans-60.6102.5168.5-174.317.2000109.8Y326 G330Y326-D328 VanDerWaalsContact C-N 3.27Å; Y326-D328 HydrophobicContact CD1-CB 3.9Å; Y326-D328 HydrophobicContact CE1-CB 3.7Å; Y326-D328 PolarHBondContact O-N 2.69Å; D328-G330 PolarHBondContact O-N 3.21Å; D328-G330 PolarHBondContact OD1-N 2.89Å; D328-G330 VanDerWaalsContact OD1-N 3.14Å
329Y42.5Very low40.3Very low222 Ų222142.2 Ų142.287%0.87178%0.781SS**  trans-79.152.5165.3-104.1-93.3000110.3Y327Y327-Y329 PolarHBondContact O-N 2.97Å; Y327-Y329 VanDerWaalsContact O-N 3.09Å
330G35Very low39.9Very low45 Ų45143.4 Ų143.446%0.46478%0.775SS.*  trans-69.3135.5172.500000110.6D328 G332D328-G330 PolarHBondContact O-N 3.21Å; D328-G330 PolarHBondContact OD1-N 2.89Å; D328-G330 VanDerWaalsContact OD1-N 3.14Å; G330-G332 PolarHBondContact O-N 3.49Å; G330-G332 VanDerWaalsContact O-N 3.11Å
331H42.3Very low39.4Very low198 Ų198144.8 Ų144.892%0.91778%0.78SS**  trans-60.1112.5-175.8-72.5-93.5000112.4
332G35.3Very low39Very low77 Ų77149.4 Ų149.479%0.79478%0.784SS**PPolyproline II helixtrans-78.7127.4171.100000112.2G330G330-G332 PolarHBondContact O-N 3.49Å; G330-G332 VanDerWaalsContact O-N 3.11Å
333E33.9Very low38.3Very low193 Ų193147.9 Ų147.990%0.90278%0.778SS**PPolyproline II helixtrans-74.4163.8-179.2-159.4172-160.600112.6
334A41.1Very low38Very low95 Ų95150.1 Ų150.179%0.78578%0.784SS**PPolyproline II helixtrans-71.9130.7-170.300000114.3
335Q36.5Very low37.5Very low186 Ų186147 Ų14787%0.86978%0.777SS**  trans-137.7119.2155.3-73.1-168.6-11.900110.7
336D36.3Very low37.2Very low161 Ų161148.7 Ų148.786%0.86179%0.785SS**  trans-59144.5164.2-96.2-60.4000110.7
337P42.2Very low37.5Very low110 Ų110152 Ų15271%0.71480%0.796SS**  -138.2115.9119.432.8-19.4000113.7
338S38.4Very low37.3Very low109 Ų109150 Ų15076%0.76280%0.798SS**  trans28.2100.9139.160.10000117.9
339Y35Very low37Very low227 Ų227152 Ų15289%0.8981%0.808SS**  trans-117.5134156.9-164.1-96.6000110.2
340E37Very low36.6Very low149 Ų149147.4 Ų147.470%0.69681%0.809SS**  trans-73.6143.9-165.8-66.7179.5131.300113.8Y342E340-Y342 HydrophobicContact CB-CE2 4.4Å; E340-Y342 PolarHBondContact O-N 3.48Å
341S34.5Very low36.4Very low121 Ų121157 Ų15785%0.84683%0.831SS**  trans-71115.9172.4179.60000110.9
342Y36.3Very low36.1Very low205 Ų205153.4 Ų153.480%0.80483%0.828SS**  trans-110.8100.9165-88.1-87.8000111.2E340E340-Y342 HydrophobicContact CB-CE2 4.4Å; E340-Y342 PolarHBondContact O-N 3.48Å
343G34.7Very low35.9Very low67 Ų67153.5 Ų153.569%0.69183%0.829SS**  trans52.3110.8139.700000119.1G345G343-G345 PolarHBondContact O-N 3.13Å
344Q37.8Very low35.8Very low209 Ų209149.5 Ų149.598%0.97783%0.83SS**  trans-53.4132.1150.4-71.8179.8-16.300109.8
345G34.2Very low35.3Very low62 Ų62148.6 Ų148.664%0.63983%0.829SS**  trans-125.8122.2170.500000109.4G343G343-G345 PolarHBondContact O-N 3.13Å
346E37.1Very low35.2Very low191 Ų191145.2 Ų145.289%0.89383%0.833SS**  trans-70.2130.6-166.8-64.3146.4135.900112.5D348E346-D348 PolarHBondContact O-N 2.99Å
347W38.6Very low35.1Very low267 Ų267140.9 Ų140.9100%1.01183%0.827SS**  trans-86.687.8165.6-87.549.9000109
348D34.9Very low34.8Very low144 Ų144139.7 Ų139.777%0.7784%0.835SS**  trans-97.2148.5172.7-153.8-6.5000112.7E346E346-D348 PolarHBondContact O-N 2.99Å
349N34.3Very low34.7Very low153 Ų153144.2 Ų144.282%0.81884%0.841SS**  trans-67.9131-177.3-75.8-68.3000112
350S32.4Very low35Very low126 Ų126138.1 Ų138.188%0.88184%0.837SS**  trans-124.175.9161.1-169.70000111.2
351W32.4Very low35.5Very low246 Ų246136.4 Ų136.493%0.93284%0.838SS**  trans-138.474.5165.5-150.9-41.1000111.1
352S34.4Very low36Very low123 Ų123136.9 Ų136.986%0.8684%0.839SS**  trans-168.2140.1162.8-860000112.2
353G30.9Very low36.2Very low79 Ų79133.5 Ų133.581%0.81484%0.84SS**  trans93.985.6147.800000119.1
354A33.3Very low36.2Very low110 Ų110141.7 Ų141.791%0.90985%0.85SS**  trans0.5137.6147.900000121.2
355G30.1Very low36.2Very low75 Ų75140.7 Ų140.777%0.77385%0.845SS**  trans155.4104.9146.200000118.2
356A34.5Very low36.3Very low115 Ų115142.4 Ų142.495%0.9585%0.847SS**  trans64.2151.2152.600000121.3
357G35Very low36.3Very low71 Ų71143.4 Ų143.473%0.73285%0.849SS**  trans103.238.3147.500000119.3K359G357-K359 PolarHBondContact O-N 3.02Å
358G34.3Very low36.2Very low85 Ų85134 Ų13488%0.87684%0.835SS**  trans-60.3121.7174.500000113.8
359K37.1Very low36.4Very low204 Ų204133.1 Ų133.189%0.88784%0.84SS**  trans-129.8130.8161.1-73.4-173.1177.1-179.80108.9G357G357-K359 PolarHBondContact O-N 3.02Å
360A41.6Very low36.8Very low98 Ų98137.1 Ų137.181%0.8185%0.845SS**PPolyproline II helixtrans-77145.9-175.900000112.2
361P47.5Very low37.6Very low113 Ų113142.4 Ų142.473%0.73485%0.846SS**PPolyproline II helixtrans-76.8150.9174.432.2-34.5000111.9
362P44.5Very low38.7Very low131 Ų131139.7 Ų139.785%0.85184%0.843SS**PPolyproline II helixtrans-75.4158.2177.831.9-35.1000112.8
363T40.2Very low39.8Very low134 Ų134141.9 Ų141.982%0.82284%0.84SS**PPolyproline II helixtrans-99.6168.2-177.750.10000113.5
364R35Very low40.8Very low239 Ų239143.3 Ų143.390%0.90284%0.835SS**  trans76.3144.8-175.9-68.3-178.9161.9-175.7-4.6114
365Q37.7Very low41.8Very low189 Ų189148.7 Ų148.788%0.88383%0.833SS**  cis-131.9-172.824.5-71.5-177.73.700114.7
366S35.8Very low42.7Very low97 Ų97151.3 Ų151.368%0.67883%0.834SS**  trans-110.1157.2-162.956.90000115.5
367K38.1Very low43.2Very low213 Ų213156.6 Ų156.693%0.92683%0.829SS**  trans70.9132.5160.4-64.2178.6176.7-178.30118
368G35.8Very low43.6Very low70 Ų70167.9 Ų167.972%0.72285%0.852SS**  trans160.9112.615800000115.4
369S39.1Very low44Very low125 Ų125172.1 Ų172.187%0.87485%0.85SS**  trans66.697.1153.1-500000120.1
370Y43.2Very low44.4Very low237 Ų237170.4 Ų170.493%0.92985%0.849SS**PPolyproline II helixtrans-63.9145.4150.4-90.3-105.9000109.9
371R48.2Very low44.5Very low236 Ų236174.4 Ų174.489%0.89185%0.851SS**PPolyproline II helixtrans-102.3116.7174-151.3178.7-166.6-174.83.6108
372E57.4Low44.4Very low190 Ų190178 Ų17889%0.88886%0.858SS**PPolyproline II helixtrans-72147.9179-70.8-176.6134.800111.7
373H56.6Low44.4Very low168 Ų168180.9 Ų180.978%0.77886%0.858SS**PPolyproline II helixtrans-93.8143.2179.3-83.7-85.3000111.3Y375H373-Y375 VanDerWaalsContact C-N 3.26Å; H373-Y375 PolarHBondContact O-N 2.78Å
374P52.5Low44.6Very low110 Ų110184.1 Ų184.171%0.71486%0.86SS**SBendtrans-78.713.2-15831.6-38.3000116.5
375Y53.8Low45.3Very low223 Ų223180.1 Ų180.188%0.87586%0.857SS**  trans-135.886.4179.6-69.1-73.7000111.7H373H373-Y375 VanDerWaalsContact C-N 3.26Å; H373-Y375 PolarHBondContact O-N 2.78Å
376V48.2Very low45.9Very low129 Ų129179.5 Ų179.578%0.78286%0.855SS**  trans-116104.91631790000108.1
377R45.1Very low46.8Very low227 Ų227186.3 Ų186.386%0.85787%0.87SS**  trans39.7125.9158.5-58.3-170.7-176.8-1581.5119.8
378Y43.2Very low47.5Very low308 Ų308183.9 Ų183.9100%1.20887%0.865SS**  -94.60121-82.7-88.5000108.4

Retrieved 378 of 378 residues in 319.3 ms (Link to these results)