A0A087XRC8_POEFO Loading...

Zinc finger CCCH domain-containing protein 14

RNA-binding protein involved in the biogenesis of circular RNAs (circRNAs), which are produced by back-splicing circularization of pre-mRNAs. Acts by binding to both exon-intron boundary and 3'-UTR of pre-mRNAs to promote circRNA biogenesis through dimerization and the association with the spliceosome.

AlphaFold DB , UniProt , Accession A0A087XRC8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 675 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
1M44.5Very low75Confident213 Ų21398.1 Ų98.1100%1.04951%0.507SS*.  059.30-174.4175.3162.800110.1
2E51.3Low76.3Confident124 Ų12498.9 Ų98.958%0.57950%0.499SS*.  trans-97.6-13.1-165.4-63.584.9169.700113.8G4 T5 E6E2-G4 PolarHBondContact O-N 3.35Å; E2-G4 VanDerWaalsContact O-N 3.11Å; E2-T5 WeakPolarHBondContact CA-OG1 3.1Å; E2-T5 PolarHBondContact O-N 3.07Å; E2-T5 PolarHBondContact O-OG1 3.17Å; E2-E6 PolarHBondContact O-N 2.72Å
3I55.3Low77.4Confident125 Ų12596.1 Ų96.164%0.64150%0.5SS*.Hα-helixtrans-53.8-40-177.3-58.588.4000110.9I7I3-I7 HydrophobicContact CG2-CD1 3.74Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 WeakPolarHBondContact O-CB 3.29Å; I3-I7 WeakPolarHBondContact O-CD1 3.33Å; I3-I7 VanDerWaalsContact O-CG1 3.22Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.36Å; I3-I7 VanDerWaalsContact O-N 3.1Å
4G72.3Confident78.5Confident46 Ų4692 Ų9247%0.47449%0.487SS..Hα-helixtrans-67.6-35.6176.500000114.7E2 S8E2-G4 PolarHBondContact O-N 3.35Å; E2-G4 VanDerWaalsContact O-N 3.11Å; G4-S8 VanDerWaalsContact O-CB 3.28Å; G4-S8 WeakPolarHBondContact O-CB 3.47Å; G4-S8 PolarHBondContact O-N 2.72Å; G4-S8 PolarHBondContact O-OG 3.19Å
5T79Confident79.4Confident72 Ų7285.9 Ų85.944%0.44246%0.455SS..Hα-helixtrans-73.7-37.6178.340.90000111.7E2 S8 K9E2-T5 WeakPolarHBondContact CA-OG1 3.1Å; E2-T5 PolarHBondContact O-N 3.07Å; E2-T5 PolarHBondContact O-OG1 3.17Å; T5-S8 PolarHBondContact O-N 3.45Å; T5-K9 VanDerWaalsContact O-CG 3.29Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 3.33Å
6E83.3Confident80.1Confident80 Ų8085.2 Ų85.237%0.37445%0.447SS..Hα-helixtrans-73.3-38.5-179.5-66.3-2.5-86.700111.3E2 K9 K10E2-E6 PolarHBondContact O-N 2.72Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K9 VanDerWaalsContact OE1-CD 3.3Å; E6-K9 WeakPolarHBondContact OE1-CD 3.21Å; E6-K9 WeakPolarHBondContact OE1-CE 3.35Å; E6-K9 IonicContact OE1-NZ 2.7Å; E6-K9 PolarHBondContact OE1-NZ 3.07Å; E6-K9 IonicContact OE2-NZ 3.76Å; E6-K9 PolarHBondContact OE2-NZ 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 VanDerWaalsContact O-N 3.09Å
7I84.1Confident80.8Confident63 Ų6384.5 Ų84.532%0.32345%0.451SS..Hα-helixtrans-62.2-45.2169.7-69.5170.2000110.4I3 K9 K10 I11I3-I7 HydrophobicContact CG2-CD1 3.74Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 WeakPolarHBondContact O-CB 3.29Å; I3-I7 WeakPolarHBondContact O-CD1 3.33Å; I3-I7 VanDerWaalsContact O-CG1 3.22Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.36Å; I3-I7 VanDerWaalsContact O-N 3.1Å; I7-K9 PolarHBondContact O-N 3.14Å; I7-K10 PolarHBondContact O-N 3.46Å; I7-K10 VanDerWaalsContact O-N 3.17Å; I7-I11 HydrophobicContact CG2-CD1 3.72Å; I7-I11 HydrophobicContact CG2-CG1 4.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.43Å; I7-I11 PolarHBondContact O-N 3.02Å
8S85.8Confident81.4Confident48 Ų4882.3 Ų82.334%0.33644%0.436SS..Hα-helixtrans-60.4-42.3178.4-63.40000112.5G4 T5 I11 R12G4-S8 VanDerWaalsContact O-CB 3.28Å; G4-S8 WeakPolarHBondContact O-CB 3.47Å; G4-S8 PolarHBondContact O-N 2.72Å; G4-S8 PolarHBondContact O-OG 3.19Å; T5-S8 PolarHBondContact O-N 3.45Å; S8-I11 PolarHBondContact O-N 3.05Å; S8-R12 WeakPolarHBondContact O-CB 3.33Å; S8-R12 PolarHBondContact O-N 2.91Å
9K89.2Confident81.8Confident120 Ų12077.9 Ų77.952%0.52241%0.413SS..Hα-helixtrans-60.4-44.2173.8-71.5164.1-171.2170.60111.7T5 E6 I7 R12 A13T5-K9 VanDerWaalsContact O-CG 3.29Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 3.33Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K9 VanDerWaalsContact OE1-CD 3.3Å; E6-K9 WeakPolarHBondContact OE1-CD 3.21Å; E6-K9 WeakPolarHBondContact OE1-CE 3.35Å; E6-K9 IonicContact OE1-NZ 2.7Å; E6-K9 PolarHBondContact OE1-NZ 3.07Å; E6-K9 IonicContact OE2-NZ 3.76Å; E6-K9 PolarHBondContact OE2-NZ 3.32Å; I7-K9 PolarHBondContact O-N 3.14Å; K9-R12 WeakPolarHBondContact O-CB 3.38Å; K9-R12 PolarHBondContact O-N 3.49Å; K9-A13 PolarHBondContact O-N 3.34Å
10K89.8Confident82.2Confident165 Ų16581.1 Ų81.172%0.71743%0.426SS*.Hα-helixtrans-64.7-41.6176.8-74.4-177.2176.2-175.40112.5E6 I7 A13 A14E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 VanDerWaalsContact O-N 3.09Å; I7-K10 PolarHBondContact O-N 3.46Å; I7-K10 VanDerWaalsContact O-N 3.17Å; K10-A13 PolarHBondContact O-N 3.49Å; K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.13Å
11I90.7Very high82.5Confident23 Ų2383.4 Ų83.412%0.11843%0.434CS..Hα-helixtrans-59.6-47.1174.1-70.1167.7000110.5I7 S8 A13 A14 I15 L70 L73I7-I11 HydrophobicContact CG2-CD1 3.72Å; I7-I11 HydrophobicContact CG2-CG1 4.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.43Å; I7-I11 PolarHBondContact O-N 3.02Å; S8-I11 PolarHBondContact O-N 3.05Å; I11-A13 PolarHBondContact O-N 3.33Å; I11-A14 PolarHBondContact O-N 3.46Å; I11-I15 HydrophobicContact CG2-CD1 3.6Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 WeakPolarHBondContact O-CB 3.19Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.48Å; I11-I15 PolarHBondContact O-N 3.38Å; I11-L70 HydrophobicContact CD1-CD2 4.15Å; I11-L73 HydrophobicContact CD1-CD1 3.81Å; I11-L73 HydrophobicContact CG1-CD1 3.62Å
12R90.1Very high84.5Confident108 Ų10874.5 Ų74.541%0.40839%0.391SS..Hα-helixtrans-58.5-44.1177.8-158.3-177-165.3178.81.7112.6S8 K9 I15 K16 P31 D32 M35S8-R12 WeakPolarHBondContact O-CB 3.33Å; S8-R12 PolarHBondContact O-N 2.91Å; K9-R12 WeakPolarHBondContact O-CB 3.38Å; K9-R12 PolarHBondContact O-N 3.49Å; R12-I15 PolarHBondContact O-N 3.26Å; R12-K16 PolarHBondContact O-N 2.96Å; R12-P31 HydrophobicContact CG-CB 4.2Å; R12-D32 IonicContact CZ-OD1 3.71Å; R12-D32 IonicContact CZ-OD2 2.78Å; R12-D32 IonicContact NE-OD1 2.75Å; R12-D32 PolarHBondContact NE-OD1 3.08Å; R12-D32 IonicContact NH2-OD1 3.92Å; R12-D32 PolarHBondContact NH2-OD1 3.42Å; R12-D32 IonicContact NH2-OD2 2.73Å; R12-D32 PolarHBondContact NH2-OD2 2.63Å; R12-M35 HydrophobicContact CB-SD 3.6Å; R12-M35 VanDerWaalsContact CB-SD 3.6Å; R12-M35 HydrophobicContact CG-SD 3.53Å; R12-M35 VanDerWaalsContact CG-SD 3.53Å
13A91.5Very high85.6Confident62 Ų6271.9 Ų71.951%0.51240%0.397SS..Hα-helixtrans-66.2-44.7177.400000112.1K9 K10 I11 I15 K16 S17K9-A13 PolarHBondContact O-N 3.34Å; K10-A13 PolarHBondContact O-N 3.49Å; I11-A13 PolarHBondContact O-N 3.33Å; A13-I15 VanDerWaalsContact C-N 3.33Å; A13-I15 PolarHBondContact O-N 3.45Å; A13-K16 PolarHBondContact O-N 3.33Å; A13-S17 WeakPolarHBondContact O-CB 3.33Å; A13-S17 PolarHBondContact O-N 3.35Å
14A92.5Very high86.5Confident39 Ų3967 Ų6732%0.32238%0.375SS..Hα-helixtrans-61.8-40.217500000112.1K10 I11 K18 W65K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.13Å; I11-A14 PolarHBondContact O-N 3.46Å; A14-K18 WeakPolarHBondContact O-CB 3.3Å; A14-K18 PolarHBondContact O-N 2.83Å; A14-W65 HydrophobicContact CB-CH2 4.31Å; A14-W65 HydrophobicContact CB-CZ2 4.46Å; A14-W65 WeakPolarHBondContact O-CH2 3.33Å
15I91.8Very high86.5Confident1 Ų173.9 Ų73.91%0.00539%0.388CS..Hα-helixtrans-60.2-52.9173.1-73.3162.8000110.3I11 R12 A13 S17 K18 L19 P31 I34 F62 W65 L66I11-I15 HydrophobicContact CG2-CD1 3.6Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 WeakPolarHBondContact O-CB 3.19Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.48Å; I11-I15 PolarHBondContact O-N 3.38Å; R12-I15 PolarHBondContact O-N 3.26Å; A13-I15 VanDerWaalsContact C-N 3.33Å; A13-I15 PolarHBondContact O-N 3.45Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 3.49Å; I15-K18 PolarHBondContact O-N 2.77Å; I15-L19 HydrophobicContact CG2-CD1 3.61Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 2.72Å; I15-P31 HydrophobicContact CG2-CB 4.04Å; I15-I34 HydrophobicContact CD1-CB 4.38Å; I15-I34 HydrophobicContact CD1-CG2 3.7Å; I15-I34 HydrophobicContact CG1-CG2 4.38Å; I15-I34 HydrophobicContact CG2-CB 4.47Å; I15-I34 HydrophobicContact CG2-CD1 3.81Å; I15-I34 HydrophobicContact CG2-CG2 4.43Å; I15-F62 HydrophobicContact CG1-CZ 4.35Å; I15-F62 HydrophobicContact CG2-CE2 4.48Å; I15-F62 HydrophobicContact CG2-CZ 4.04Å; I15-W65 HydrophobicContact CG1-CH2 4.47Å; I15-W65 HydrophobicContact CG1-CZ3 4.33Å; I15-L66 HydrophobicContact CD1-CD1 4.18Å; I15-L66 HydrophobicContact CG1-CD1 4.14Å
16K90.7Very high86.1Confident74 Ų7472.5 Ų72.532%0.32238%0.377SS..Hα-helixtrans-58.1-43-178.8-167.9169.6-174.8173.60111.7R12 A13 Q20 E28 P31R12-K16 PolarHBondContact O-N 2.96Å; A13-K16 PolarHBondContact O-N 3.33Å; K16-Q20 WeakPolarHBondContact O-CB 3.5Å; K16-Q20 PolarHBondContact O-N 2.87Å; K16-Q20 VanDerWaalsContact O-N 3.12Å; K16-E28 IonicContact NZ-OE1 3.13Å; K16-E28 PolarHBondContact NZ-OE1 2.68Å; K16-E28 IonicContact NZ-OE2 3.26Å; K16-E28 PolarHBondContact NZ-OE2 3.01Å; K16-P31 HydrophobicContact CB-CG 4.28Å; K16-P31 HydrophobicContact CG-CG 4.46Å
17S92.1Very high85.9Confident74 Ų7472.7 Ų72.752%0.51738%0.381SS..Hα-helixtrans-62.8-47.4174.9175.70000112.8A13 I15 L19 Q20 E21A13-S17 WeakPolarHBondContact O-CB 3.33Å; A13-S17 PolarHBondContact O-N 3.35Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 3.49Å; S17-L19 PolarHBondContact O-N 3.38Å; S17-Q20 WeakPolarHBondContact O-CB 3.45Å; S17-Q20 PolarHBondContact O-N 2.98Å; S17-E21 PolarHBondContact O-N 3.48Å
18K90.8Very high85.6Confident44 Ų4475.9 Ų75.919%0.19140%0.395CS..Hα-helixtrans-67.7-35.2-179.3-16774.6-155.21720112.9A14 I15 Q20 E21 L22 F62 W65A14-K18 WeakPolarHBondContact O-CB 3.3Å; A14-K18 PolarHBondContact O-N 2.83Å; I15-K18 PolarHBondContact O-N 2.77Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-E21 WeakPolarHBondContact CD-OE2 3.45Å; K18-E21 WeakPolarHBondContact CE-OE1 3.48Å; K18-E21 WeakPolarHBondContact CE-OE2 3.49Å; K18-E21 IonicContact NZ-OE1 2.64Å; K18-E21 PolarHBondContact NZ-OE1 2.97Å; K18-E21 IonicContact NZ-OE2 3.47Å; K18-E21 PolarHBondContact NZ-OE2 3.31Å; K18-L22 HydrophobicContact CG-CD1 4.47Å; K18-L22 VanDerWaalsContact O-CG 3.3Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 2.98Å; K18-F62 HydrophobicContact CB-CE2 4.38Å; K18-F62 HydrophobicContact CG-CD2 4.24Å; K18-F62 HydrophobicContact CG-CE2 4.48Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.18Å; K18-W65 HydrophobicContact CB-CH2 3.55Å; K18-W65 HydrophobicContact CB-CZ2 3.71Å; K18-W65 HydrophobicContact CB-CZ3 3.8Å; K18-W65 HydrophobicContact CD-CD2 4.04Å; K18-W65 HydrophobicContact CD-CG 4.31Å; K18-W65 HydrophobicContact CD-CZ2 4.17Å; K18-W65 HydrophobicContact CG-CD2 3.69Å; K18-W65 HydrophobicContact CG-CE3 3.78Å; K18-W65 HydrophobicContact CG-CG 4.31Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.92Å; K18-W65 HydrophobicContact CG-CZ3 3.95Å
19L90.3Very high85.7Confident0 Ų081.4 Ų81.40%042%0.415CS..Hα-helixtrans-63.5-40.3173-66.2169.6000111.2I15 S17 L22 I26 L30 P31 I34 L55 F62I15-L19 HydrophobicContact CG2-CD1 3.61Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 2.72Å; S17-L19 PolarHBondContact O-N 3.38Å; L19-L22 PolarHBondContact O-N 2.84Å; L19-I26 HydrophobicContact CB-CD1 3.68Å; L19-I26 HydrophobicContact CB-CG1 3.75Å; L19-L30 HydrophobicContact CD1-CD2 4.19Å; L19-L30 HydrophobicContact CD1-CG 4.29Å; L19-P31 HydrophobicContact CD1-CG 4.38Å; L19-I34 HydrophobicContact CD1-CD1 3.92Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L19-L55 HydrophobicContact CD2-CD1 3.7Å; L19-L55 HydrophobicContact CD2-CD2 3.66Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CD2 3.82Å; L19-F62 HydrophobicContact CD2-CE1 4.41Å; L19-F62 HydrophobicContact CD2-CE2 3.59Å; L19-F62 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CZ 3.93Å; L19-F62 HydrophobicContact CG-CD2 4.44Å; L19-F62 HydrophobicContact CG-CE2 3.86Å; L19-F62 HydrophobicContact CG-CZ 4.29Å
20Q88.6Confident85.7Confident141 Ų14176.1 Ų76.166%0.65939%0.393SS*.Hα-helixtrans-68-40.2179.9-173.5177-4.900111.9K16 S17 K18 L22 G23 I26K16-Q20 WeakPolarHBondContact O-CB 3.5Å; K16-Q20 PolarHBondContact O-N 2.87Å; K16-Q20 VanDerWaalsContact O-N 3.12Å; S17-Q20 WeakPolarHBondContact O-CB 3.45Å; S17-Q20 PolarHBondContact O-N 2.98Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; Q20-L22 PolarHBondContact O-N 2.98Å; Q20-G23 PolarHBondContact O-N 3.28Å; Q20-G23 VanDerWaalsContact O-N 3.13Å; Q20-I26 HydrophobicContact CB-CD1 3.91Å
21E89.5Confident85.8Confident130 Ų13068.5 Ų68.561%0.60736%0.36SS*.Hα-helixtrans-59-35.5171.8-169.2-157.9124.600112.4S17 K18 G23S17-E21 PolarHBondContact O-N 3.48Å; K18-E21 WeakPolarHBondContact CD-OE2 3.45Å; K18-E21 WeakPolarHBondContact CE-OE1 3.48Å; K18-E21 WeakPolarHBondContact CE-OE2 3.49Å; K18-E21 IonicContact NZ-OE1 2.64Å; K18-E21 PolarHBondContact NZ-OE1 2.97Å; K18-E21 IonicContact NZ-OE2 3.47Å; K18-E21 PolarHBondContact NZ-OE2 3.31Å; E21-G23 PolarHBondContact O-N 2.97Å
22L85.4Confident85.8Confident25 Ų2570.2 Ų70.213%0.13137%0.369CS..THydrogen-bonded Turntrans-78.74.9178.5-68.9169.1000113.8K18 L19 Q20 A24 N58 F62K18-L22 HydrophobicContact CG-CD1 4.47Å; K18-L22 VanDerWaalsContact O-CG 3.3Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 2.98Å; L19-L22 PolarHBondContact O-N 2.84Å; Q20-L22 PolarHBondContact O-N 2.98Å; L22-A24 PolarHBondContact O-N 3.33Å; L22-A24 VanDerWaalsContact O-N 3.09Å; L22-N58 HydrophobicContact CB-CB 4.33Å; L22-N58 HydrophobicContact CD1-CB 4.44Å; L22-N58 HydrophobicContact CD2-CB 4.23Å; L22-N58 PolarHBondContact O-ND2 3.3Å; L22-F62 HydrophobicContact CD1-CB 3.87Å; L22-F62 HydrophobicContact CD1-CD2 4.02Å; L22-F62 HydrophobicContact CD1-CG 4.4Å
23G73.9Confident85.9Confident69 Ų6969.1 Ų69.171%0.71137%0.366SS*.THydrogen-bonded Turntrans62.515.9177.700000114.6Q20 E21Q20-G23 PolarHBondContact O-N 3.28Å; Q20-G23 VanDerWaalsContact O-N 3.13Å; E21-G23 PolarHBondContact O-N 2.97Å
24A75.7Confident85.9Confident22 Ų2266.1 Ų66.118%0.18234%0.341CS..  trans-73.6147178.900000110.7L22 I26 L55L22-A24 PolarHBondContact O-N 3.33Å; L22-A24 VanDerWaalsContact O-N 3.09Å; A24-I26 WeakPolarHBondContact O-CD1 3.27Å; A24-I26 WeakPolarHBondContact O-CG1 3.38Å; A24-I26 PolarHBondContact O-N 3.28Å; A24-L55 HydrophobicContact CB-CD2 3.58Å
25Y71.6Confident85.9Confident192 Ų19266.8 Ų66.875%0.75334%0.338SS*.  trans-72.1115.7169.9-175.1-88000109.1D27Y25-D27 WeakPolarHBondContact CE1-OD1 3.5Å
26I71.1Confident85.9Confident42 Ų4270.7 Ų70.722%0.21536%0.362CS..  trans-108106.4-171.9-62142.8000109.7L19 Q20 A24L19-I26 HydrophobicContact CB-CD1 3.68Å; L19-I26 HydrophobicContact CB-CG1 3.75Å; Q20-I26 HydrophobicContact CB-CD1 3.91Å; A24-I26 WeakPolarHBondContact O-CD1 3.27Å; A24-I26 WeakPolarHBondContact O-CG1 3.38Å; A24-I26 PolarHBondContact O-N 3.28Å
27D78.9Confident85.9Confident84 Ų8467.2 Ų67.245%0.44935%0.347SS..  trans-69.8144.3159.5-67-55.6000109.9Y25 E29 L30 P31Y25-D27 WeakPolarHBondContact CE1-OD1 3.5Å; D27-E29 PolarHBondContact O-N 2.79Å; D27-L30 WeakPolarHBondContact O-CB 3.46Å; D27-L30 PolarHBondContact O-N 2.91Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å
28E78.3Confident85.8Confident131 Ų13165.4 Ų65.461%0.61233%0.333SS*.THydrogen-bonded Turntrans-59.2-19.6176.1-68.1-66.7155.900113.1K16K16-E28 IonicContact NZ-OE1 3.13Å; K16-E28 PolarHBondContact NZ-OE1 2.68Å; K16-E28 IonicContact NZ-OE2 3.26Å; K16-E28 PolarHBondContact NZ-OE2 3.01Å
29E87.7Confident85.7Confident164 Ų16467.2 Ų67.277%0.76636%0.356SS*.THydrogen-bonded Turntrans-80.3-17175.7-59.5-168.7156.100113.7D27 D32 Y33D27-E29 PolarHBondContact O-N 2.79Å; E29-D32 PolarHBondContact O-N 3.08Å; E29-Y33 PolarHBondContact O-N 2.61Å
30L89.5Confident85.8Confident9 Ų972.7 Ų72.75%0.04739%0.385CS..Hα-helixtrans-69.9-44.5-173.9-179.261.2000113.8L19 D27 D32 Y33 I34 L51 F54 L55L19-L30 HydrophobicContact CD1-CD2 4.19Å; L19-L30 HydrophobicContact CD1-CG 4.29Å; D27-L30 WeakPolarHBondContact O-CB 3.46Å; D27-L30 PolarHBondContact O-N 2.91Å; L30-D32 PolarHBondContact O-N 2.95Å; L30-Y33 PolarHBondContact O-N 2.96Å; L30-I34 HydrophobicContact CD1-CD1 4.18Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CD1 3.47Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 3.2Å; L30-L51 HydrophobicContact CD1-CD2 3.99Å; L30-F54 HydrophobicContact CD1-CB 4.33Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.12Å; L30-F54 HydrophobicContact CD2-CB 4.44Å; L30-L55 HydrophobicContact CD2-CD2 4.24Å
31P90.6Very high85.7Confident4 Ų474.8 Ų74.83%0.02639%0.392CS..Hα-helixtrans-59-32.7174.1-24.235.5000113R12 I15 K16 L19 D27 I34 M35R12-P31 HydrophobicContact CG-CB 4.2Å; I15-P31 HydrophobicContact CG2-CB 4.04Å; K16-P31 HydrophobicContact CB-CG 4.28Å; K16-P31 HydrophobicContact CG-CG 4.46Å; L19-P31 HydrophobicContact CD1-CG 4.38Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å; P31-I34 PolarHBondContact O-N 3.27Å; P31-M35 PolarHBondContact O-N 3.03Å
32D90.9Very high85.7Confident60 Ų6070.7 Ų70.732%0.32137%0.372SS..Hα-helixtrans-73.5-42.9-179.7-72.416.8000111.4R12 E29 L30 I34 M35 V36R12-D32 IonicContact CZ-OD1 3.71Å; R12-D32 IonicContact CZ-OD2 2.78Å; R12-D32 IonicContact NE-OD1 2.75Å; R12-D32 PolarHBondContact NE-OD1 3.08Å; R12-D32 IonicContact NH2-OD1 3.92Å; R12-D32 PolarHBondContact NH2-OD1 3.42Å; R12-D32 IonicContact NH2-OD2 2.73Å; R12-D32 PolarHBondContact NH2-OD2 2.63Å; E29-D32 PolarHBondContact O-N 3.08Å; L30-D32 PolarHBondContact O-N 2.95Å; D32-I34 VanDerWaalsContact C-N 3.28Å; D32-I34 PolarHBondContact O-N 2.82Å; D32-M35 WeakPolarHBondContact O-CB 3.31Å; D32-M35 PolarHBondContact O-N 3.24Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 2.87Å
33Y92.6Very high86Confident84 Ų8473.5 Ų73.533%0.32939%0.39SS..Hα-helixtrans-58-42.2171.3-178.3-112000111.5E29 L30 V36 M37 D50 L51 F54E29-Y33 PolarHBondContact O-N 2.61Å; L30-Y33 PolarHBondContact O-N 2.96Å; Y33-V36 PolarHBondContact O-N 3.48Å; Y33-M37 HydrophobicContact CD1-CE 3.52Å; Y33-M37 HydrophobicContact CD1-SD 4.17Å; Y33-M37 HydrophobicContact CE1-CE 3.34Å; Y33-M37 HydrophobicContact CE1-CG 4.27Å; Y33-M37 HydrophobicContact CE1-SD 3.47Å; Y33-M37 WeakPolarHBondContact CE1-SD 3.42Å; Y33-M37 HydrophobicContact CG-CE 4.44Å; Y33-M37 WeakPolarHBondContact O-CG 3.28Å; Y33-M37 PolarHBondContact O-N 3.09Å; Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 2.82Å; Y33-L51 HydrophobicContact CD1-CD2 4.48Å; Y33-F54 HydrophobicContact CE1-CE2 4.49Å
34I91.8Very high86.7Confident0 Ų072 Ų720%037%0.369CS..Hα-helixtrans-64.4-44.4175.9-63.8160000111.2I15 L19 L30 P31 D32 V36 M37 V38 L51 F62 L66I15-I34 HydrophobicContact CD1-CB 4.38Å; I15-I34 HydrophobicContact CD1-CG2 3.7Å; I15-I34 HydrophobicContact CG1-CG2 4.38Å; I15-I34 HydrophobicContact CG2-CB 4.47Å; I15-I34 HydrophobicContact CG2-CD1 3.81Å; I15-I34 HydrophobicContact CG2-CG2 4.43Å; L19-I34 HydrophobicContact CD1-CD1 3.92Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L30-I34 HydrophobicContact CD1-CD1 4.18Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CD1 3.47Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 3.2Å; P31-I34 PolarHBondContact O-N 3.27Å; D32-I34 VanDerWaalsContact C-N 3.28Å; D32-I34 PolarHBondContact O-N 2.82Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.83Å; I34-M37 HydrophobicContact CG1-CE 4.09Å; I34-M37 PolarHBondContact O-N 2.97Å; I34-M37 VanDerWaalsContact O-N 3.11Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.95Å; I34-L51 HydrophobicContact CD1-CD2 4.21Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.86Å; I34-F62 HydrophobicContact CD1-CE1 3.88Å; I34-F62 HydrophobicContact CD1-CZ 3.84Å; I34-F62 HydrophobicContact CG1-CE1 4.47Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.33Å; I34-L66 HydrophobicContact CG2-CD2 3.6Å
35M91.4Very high87.3Confident53 Ų5377.5 Ų77.526%0.26139%0.391SS..Hα-helixtrans-56.9-41.3173-81.3-175.359.300112.6R12 P31 D32 M37 V38 A39R12-M35 HydrophobicContact CB-SD 3.6Å; R12-M35 VanDerWaalsContact CB-SD 3.6Å; R12-M35 HydrophobicContact CG-SD 3.53Å; R12-M35 VanDerWaalsContact CG-SD 3.53Å; P31-M35 PolarHBondContact O-N 3.03Å; D32-M35 WeakPolarHBondContact O-CB 3.31Å; D32-M35 PolarHBondContact O-N 3.24Å; M35-M37 VanDerWaalsContact C-N 3.35Å; M35-V38 PolarHBondContact O-N 3.37Å; M35-A39 WeakPolarHBondContact O-CB 3.32Å; M35-A39 PolarHBondContact O-N 3.3Å
36V91.6Very high88.3Confident83 Ų8372.9 Ų72.950%0.50338%0.376SS..Hα-helixtrans-66.2-36176.5171.70000111.5D32 Y33 I34 A39 N40D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 2.87Å; Y33-V36 PolarHBondContact O-N 3.48Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.83Å; V36-A39 PolarHBondContact O-N 2.97Å; V36-N40 WeakPolarHBondContact CG1-ND2 3.35Å; V36-N40 WeakPolarHBondContact O-CB 3.49Å; V36-N40 PolarHBondContact O-N 3.23Å; V36-N40 VanDerWaalsContact O-N 3.07Å; V36-N40 PolarHBondContact O-ND2 3.22Å
37M90.9Very high89.3Confident1 Ų171 Ų711%0.00537%0.366CS..Hα-helixtrans-67.5-38.2174.3-69.7-165.9-69.400113.1Y33 I34 M35 N40 K41 K42 M47 D50 L51Y33-M37 HydrophobicContact CD1-CE 3.52Å; Y33-M37 HydrophobicContact CD1-SD 4.17Å; Y33-M37 HydrophobicContact CE1-CE 3.34Å; Y33-M37 HydrophobicContact CE1-CG 4.27Å; Y33-M37 HydrophobicContact CE1-SD 3.47Å; Y33-M37 WeakPolarHBondContact CE1-SD 3.42Å; Y33-M37 HydrophobicContact CG-CE 4.44Å; Y33-M37 WeakPolarHBondContact O-CG 3.28Å; Y33-M37 PolarHBondContact O-N 3.09Å; I34-M37 HydrophobicContact CG1-CE 4.09Å; I34-M37 PolarHBondContact O-N 2.97Å; I34-M37 VanDerWaalsContact O-N 3.11Å; M35-M37 VanDerWaalsContact C-N 3.35Å; M37-N40 CarbonylContact O-C 3.55Å; M37-N40 PolarHBondContact O-N 3.47Å; M37-K41 PolarHBondContact O-N 3.16Å; M37-K42 HydrophobicContact CB-CD 3.93Å; M37-K42 HydrophobicContact CB-CG 4.36Å; M37-K42 HydrophobicContact CG-CD 3.73Å; M37-K42 PolarHBondContact O-N 3.37Å; M37-K42 HydrophobicContact SD-CD 3.82Å; M37-K42 PolarHBondContact SD-NZ 2.66Å; M37-K42 VanDerWaalsContact SD-NZ 3.36Å; M37-M47 HydrophobicContact CB-CG 4.25Å; M37-M47 HydrophobicContact CB-SD 3.84Å; M37-M47 HydrophobicContact SD-CG 4.46Å; M37-D50 HydrophobicContact SD-CB 3.77Å; M37-L51 HydrophobicContact CE-CD1 4.05Å; M37-L51 HydrophobicContact CE-CD2 3.72Å; M37-L51 HydrophobicContact CE-CG 3.74Å
38V90.9Very high89.9Confident36 Ų3668.5 Ų68.522%0.21835%0.354CS..Hα-helixtrans-65.6-44.4173.8171.50000111.3I34 M35 N40 K41 M47 L66 L70I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.95Å; M35-V38 PolarHBondContact O-N 3.37Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 2.88Å; V38-K41 PolarHBondContact O-N 3.18Å; V38-M47 HydrophobicContact CG2-CE 4.47Å; V38-M47 HydrophobicContact CG2-SD 4.33Å; V38-L66 HydrophobicContact CG2-CD2 4.15Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.78Å; V38-L70 HydrophobicContact CG1-CD2 3.68Å; V38-L70 HydrophobicContact CG1-CG 4.4Å; V38-L70 HydrophobicContact CG2-CD1 3.66Å
39A88.6Confident90.6Very high81 Ų8167.5 Ų67.567%0.66935%0.35SS*.Hα-helixtrans-60.9-36.1176.100000112.5M35 V36 K41M35-A39 WeakPolarHBondContact O-CB 3.32Å; M35-A39 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 2.97Å; A39-K41 PolarHBondContact O-N 3.27Å
40N91.6Very high90.8Very high115 Ų11561.9 Ų61.962%0.61533%0.325SS*.THydrogen-bonded Turntrans-80.34.1174-72.8-62.7000114.1V36 M37 V38 K42V36-N40 WeakPolarHBondContact CG1-ND2 3.35Å; V36-N40 WeakPolarHBondContact O-CB 3.49Å; V36-N40 PolarHBondContact O-N 3.23Å; V36-N40 VanDerWaalsContact O-N 3.07Å; V36-N40 PolarHBondContact O-ND2 3.22Å; M37-N40 CarbonylContact O-C 3.55Å; M37-N40 PolarHBondContact O-N 3.47Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 2.88Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.13Å
41K87.1Confident90.9Very high186 Ų18661.5 Ų61.581%0.80932%0.323SS*.THydrogen-bonded Turntrans52.738.9179.2-57-176179.1-178.30114.4M37 V38 A39M37-K41 PolarHBondContact O-N 3.16Å; V38-K41 PolarHBondContact O-N 3.18Å; A39-K41 PolarHBondContact O-N 3.27Å
42K89.1Confident91Very high44 Ų4464.1 Ų64.119%0.19134%0.342CS..  trans-59.6141.5174.7-71.3-166.6-174.61790111.1M37 N40 Q46 M47 D50M37-K42 HydrophobicContact CB-CD 3.93Å; M37-K42 HydrophobicContact CB-CG 4.36Å; M37-K42 HydrophobicContact CG-CD 3.73Å; M37-K42 PolarHBondContact O-N 3.37Å; M37-K42 HydrophobicContact SD-CD 3.82Å; M37-K42 PolarHBondContact SD-NZ 2.66Å; M37-K42 VanDerWaalsContact SD-NZ 3.36Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.13Å; K42-Q46 HydrophobicContact CD-CG 4.31Å; K42-M47 HydrophobicContact CB-CG 3.55Å; K42-M47 HydrophobicContact CB-SD 4.46Å; K42-M47 HydrophobicContact CD-CG 4.39Å; K42-D50 VanDerWaalsContact NZ-CG 3.34Å; K42-D50 IonicContact NZ-OD1 2.69Å; K42-D50 IonicContact NZ-OD2 2.64Å; K42-D50 PolarHBondContact NZ-OD2 3.03Å
43T91.6Very high90.8Very high83 Ų8368 Ų6851%0.50936%0.361SS..  trans-69.1162.7177.465.10000111.7Q45 Q46 M47T43-Q45 VanDerWaalsContact C-N 3.27Å; T43-Q45 PolarHBondContact O-N 3.09Å; T43-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 VanDerWaalsContact O-N 3.16Å; T43-Q46 PolarHBondContact OG1-N 2.99Å; T43-M47 PolarHBondContact O-N 3.12Å
44S88.4Confident90.6Very high39 Ų3969 Ų6927%0.27337%0.368SS..Hα-helixtrans-58-39.5176.5-162.90000112.6T48 H67S44-T48 VanDerWaalsContact O-CB 3.31Å; S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 PolarHBondContact O-N 3.18Å; S44-T48 PolarHBondContact O-OG1 3.32Å; S44-H67 WeakPolarHBondContact CA-CE1 3.41Å; S44-H67 VanDerWaalsContact CB-CE1 3.42Å; S44-H67 WeakPolarHBondContact CB-CE1 3.22Å; S44-H67 PolarHBondContact N-CE1 3.4Å; S44-H67 PolarHBondContact N-NE2 3.07Å
45Q90.2Very high90.4Very high136 Ų13669.6 Ų69.664%0.63637%0.371SS*.Hα-helixtrans-61.1-51.2173.5-178.8179.4-15.800111.4T43 M47 T48 E49T43-Q45 VanDerWaalsContact C-N 3.27Å; T43-Q45 PolarHBondContact O-N 3.09Å; Q45-M47 PolarHBondContact O-N 3.18Å; Q45-T48 CarbonylContact O-C 3.59Å; Q45-T48 WeakPolarHBondContact O-CA 3.46Å; Q45-T48 WeakPolarHBondContact O-CB 3.49Å; Q45-T48 PolarHBondContact O-N 2.92Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.49Å; Q45-E49 PolarHBondContact NE2-OE1 3.24Å; Q45-E49 PolarHBondContact O-N 2.99Å
46Q92.3Very high90.2Very high95 Ų9568.7 Ų68.744%0.44438%0.375SS..Hα-helixtrans-68.9-37.5-175.8-163.2171.230.300112.5K42 T43 T48 E49 D50K42-Q46 HydrophobicContact CD-CG 4.31Å; T43-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 VanDerWaalsContact O-N 3.16Å; T43-Q46 PolarHBondContact OG1-N 2.99Å; Q46-T48 PolarHBondContact O-N 3.46Å; Q46-E49 PolarHBondContact O-N 3.11Å; Q46-D50 PolarHBondContact O-N 3.06Å; Q46-D50 VanDerWaalsContact O-OD2 3.13Å
47M91.4Very high90Very high2 Ų272.2 Ų72.21%0.0139%0.391CS..Hα-helixtrans-63.9-29169.1-70.5-150.8-75.800112.3M37 V38 K42 T43 Q45 L51 T63 L66 H67M37-M47 HydrophobicContact CB-CG 4.25Å; M37-M47 HydrophobicContact CB-SD 3.84Å; M37-M47 HydrophobicContact SD-CG 4.46Å; V38-M47 HydrophobicContact CG2-CE 4.47Å; V38-M47 HydrophobicContact CG2-SD 4.33Å; K42-M47 HydrophobicContact CB-CG 3.55Å; K42-M47 HydrophobicContact CB-SD 4.46Å; K42-M47 HydrophobicContact CD-CG 4.39Å; T43-M47 PolarHBondContact O-N 3.12Å; Q45-M47 PolarHBondContact O-N 3.18Å; M47-L51 WeakPolarHBondContact O-CB 3.18Å; M47-L51 VanDerWaalsContact O-CG 3.28Å; M47-L51 WeakPolarHBondContact O-CG 3.28Å; M47-L51 PolarHBondContact O-N 3.27Å; M47-T63 HydrophobicContact CB-CG2 4.01Å; M47-L66 HydrophobicContact CE-CD2 3.81Å; M47-L66 HydrophobicContact CE-CG 4.39Å; M47-L66 HydrophobicContact SD-CD2 4.06Å; M47-H67 WeakPolarHBondContact CE-CE1 3.39Å
48T91.8Very high89.9Confident32 Ų3274.4 Ų74.420%0.19640%0.403CS..Hα-helixtrans-73.1-40.6174.7-57.60000111.3S44 Q45 Q46 S52 T59 I60 T63S44-T48 VanDerWaalsContact O-CB 3.31Å; S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 PolarHBondContact O-N 3.18Å; S44-T48 PolarHBondContact O-OG1 3.32Å; Q45-T48 CarbonylContact O-C 3.59Å; Q45-T48 WeakPolarHBondContact O-CA 3.46Å; Q45-T48 WeakPolarHBondContact O-CB 3.49Å; Q45-T48 PolarHBondContact O-N 2.92Å; Q46-T48 PolarHBondContact O-N 3.46Å; T48-S52 WeakPolarHBondContact O-CB 3.17Å; T48-S52 PolarHBondContact O-N 3.3Å; T48-T59 HydrophobicContact CG2-CG2 3.91Å; T48-I60 HydrophobicContact CG2-CG1 3.93Å; T48-T63 WeakPolarHBondContact OG1-CB 3.4Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.47Å; T48-T63 PolarHBondContact OG1-OG1 3.36Å
49E92.9Very high89.9Confident111 Ų11172.8 Ų72.852%0.51939%0.393SS..Hα-helixtrans-62.4-48.1174.9-70.9168.3-166.300111.6Q45 Q46Q45-E49 WeakPolarHBondContact CG-OE1 3.49Å; Q45-E49 PolarHBondContact NE2-OE1 3.24Å; Q45-E49 PolarHBondContact O-N 2.99Å; Q46-E49 PolarHBondContact O-N 3.11Å
50D92.3Very high90Very high46 Ų4674.4 Ų74.425%0.24639%0.389CS..Hα-helixtrans-67-40.2178.6-74.1-60.5000113.1Y33 M37 K42 Q46 F54Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 2.82Å; M37-D50 HydrophobicContact SD-CB 3.77Å; K42-D50 VanDerWaalsContact NZ-CG 3.34Å; K42-D50 IonicContact NZ-OD1 2.69Å; K42-D50 IonicContact NZ-OD2 2.64Å; K42-D50 PolarHBondContact NZ-OD2 3.03Å; Q46-D50 PolarHBondContact O-N 3.06Å; Q46-D50 VanDerWaalsContact O-OD2 3.13Å; D50-F54 WeakPolarHBondContact O-CD2 3.46Å
51L91.3Very high89.9Confident0 Ų075.6 Ų75.60%039%0.389CS..Hα-helixtrans-84.6-14.8-178.5-67.5172.4000114.3L30 Y33 I34 M37 M47 L53 F54 L55 T59 F62 T63L30-L51 HydrophobicContact CD1-CD2 3.99Å; Y33-L51 HydrophobicContact CD1-CD2 4.48Å; I34-L51 HydrophobicContact CD1-CD2 4.21Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.86Å; M37-L51 HydrophobicContact CE-CD1 4.05Å; M37-L51 HydrophobicContact CE-CD2 3.72Å; M37-L51 HydrophobicContact CE-CG 3.74Å; M47-L51 WeakPolarHBondContact O-CB 3.18Å; M47-L51 VanDerWaalsContact O-CG 3.28Å; M47-L51 WeakPolarHBondContact O-CG 3.28Å; M47-L51 PolarHBondContact O-N 3.27Å; L51-L53 PolarHBondContact O-N 3.47Å; L51-L53 VanDerWaalsContact O-N 3.15Å; L51-F54 HydrophobicContact CD2-CD2 4.46Å; L51-F54 PolarHBondContact O-N 2.91Å; L51-L55 HydrophobicContact CB-CD1 4.25Å; L51-L55 HydrophobicContact CD1-CD1 4.39Å; L51-L55 PolarHBondContact O-N 3.44Å; L51-T59 HydrophobicContact CB-CG2 3.55Å; L51-T59 PolarHBondContact O-OG1 2.99Å; L51-F62 HydrophobicContact CD1-CD1 3.83Å; L51-F62 HydrophobicContact CD1-CE1 3.79Å; L51-T63 HydrophobicContact CD1-CG2 4.07Å
52S92.3Very high90.2Very high60 Ų6066.7 Ų66.742%0.4235%0.35SS..Hα-helixtrans-54.1-35.1176.9-179.20000112.3T48 F54 G56 T59T48-S52 WeakPolarHBondContact O-CB 3.17Å; T48-S52 PolarHBondContact O-N 3.3Å; S52-F54 PolarHBondContact O-N 2.97Å; S52-G56 WeakPolarHBondContact O-CA 3.28Å; S52-G56 PolarHBondContact O-N 2.86Å; S52-T59 WeakPolarHBondContact CA-OG1 3.42Å
53L87.6Confident90.4Very high141 Ų14164.6 Ų64.674%0.73834%0.341SS*.Hα-helixtrans-72.1-12178.2-60.5179.8000114.9L51L51-L53 PolarHBondContact O-N 3.47Å; L51-L53 VanDerWaalsContact O-N 3.15Å
54F88.2Confident90.5Very high106 Ų10664.8 Ų64.847%0.46534%0.342SS..Hα-helixtrans-115.5-37.8-178.3-59.4-89.6000112.5L30 Y33 D50 L51 S52L30-F54 HydrophobicContact CD1-CB 4.33Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.12Å; L30-F54 HydrophobicContact CD2-CB 4.44Å; Y33-F54 HydrophobicContact CE1-CE2 4.49Å; D50-F54 WeakPolarHBondContact O-CD2 3.46Å; L51-F54 HydrophobicContact CD2-CD2 4.46Å; L51-F54 PolarHBondContact O-N 2.91Å; S52-F54 PolarHBondContact O-N 2.97Å
55L86.9Confident90.7Very high12 Ų1266.3 Ų66.36%0.06334%0.342CS..Hα-helixtrans-112.6-8.6-172.9-51.9-180000113.6L19 A24 L30 L51 N57 N58 T59 F62L19-L55 HydrophobicContact CD2-CD1 3.7Å; L19-L55 HydrophobicContact CD2-CD2 3.66Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; A24-L55 HydrophobicContact CB-CD2 3.58Å; L30-L55 HydrophobicContact CD2-CD2 4.24Å; L51-L55 HydrophobicContact CB-CD1 4.25Å; L51-L55 HydrophobicContact CD1-CD1 4.39Å; L51-L55 PolarHBondContact O-N 3.44Å; L55-N57 PolarHBondContact O-N 3.31Å; L55-N58 WeakPolarHBondContact O-CB 3.37Å; L55-N58 PolarHBondContact O-N 3.38Å; L55-T59 WeakPolarHBondContact CB-OG1 3.32Å; L55-F62 HydrophobicContact CD1-CB 3.98Å; L55-F62 HydrophobicContact CD1-CD1 3.7Å; L55-F62 HydrophobicContact CD1-CE1 4.38Å; L55-F62 HydrophobicContact CD1-CG 3.79Å
56G87Confident90.8Very high34 Ų3459.9 Ų59.935%0.35131%0.312SS..G310 helixtrans50.2-125.7176.600000112.9S52 N58 T59S52-G56 WeakPolarHBondContact O-CA 3.28Å; S52-G56 PolarHBondContact O-N 2.86Å; G56-N58 PolarHBondContact O-N 2.86Å; G56-T59 PolarHBondContact N-OG1 2.96Å; G56-T59 VanDerWaalsContact O-CB 3.27Å; G56-T59 WeakPolarHBondContact O-CB 3.22Å; G56-T59 PolarHBondContact O-N 2.9Å; G56-T59 VanDerWaalsContact O-N 3.08Å; G56-T59 PolarHBondContact O-OG1 3.39Å
57N87.4Confident90.8Very high156 Ų15658.3 Ų58.383%0.83431%0.305SS*.G310 helixtrans-62.1-23.3-180-55.461.1000113.6L55 T59L55-N57 PolarHBondContact O-N 3.31Å; N57-T59 VanDerWaalsContact C-N 3.31Å
58N88.4Confident90.8Very high47 Ų4759.9 Ų59.925%0.25132%0.321SS..G310 helixtrans-81.8-9.6178-72.3-27.4000113.2L22 L55 G56 I60 K61 F62L22-N58 HydrophobicContact CB-CB 4.33Å; L22-N58 HydrophobicContact CD1-CB 4.44Å; L22-N58 HydrophobicContact CD2-CB 4.23Å; L22-N58 PolarHBondContact O-ND2 3.3Å; L55-N58 WeakPolarHBondContact O-CB 3.37Å; L55-N58 PolarHBondContact O-N 3.38Å; G56-N58 PolarHBondContact O-N 2.86Å; N58-I60 PolarHBondContact O-N 3.15Å; N58-K61 PolarHBondContact O-N 3.09Å; N58-F62 PolarHBondContact O-N 3.41Å
59T91.6Very high90.8Very high2 Ų260.1 Ų60.11%0.01232%0.322CS..Hα-helixtrans-57.9-48.9-177.3-47.60000112.9T48 L51 S52 L55 G56 N57 K61 F62 T63T48-T59 HydrophobicContact CG2-CG2 3.91Å; L51-T59 HydrophobicContact CB-CG2 3.55Å; L51-T59 PolarHBondContact O-OG1 2.99Å; S52-T59 WeakPolarHBondContact CA-OG1 3.42Å; L55-T59 WeakPolarHBondContact CB-OG1 3.32Å; G56-T59 PolarHBondContact N-OG1 2.96Å; G56-T59 VanDerWaalsContact O-CB 3.27Å; G56-T59 WeakPolarHBondContact O-CB 3.22Å; G56-T59 PolarHBondContact O-N 2.9Å; G56-T59 VanDerWaalsContact O-N 3.08Å; G56-T59 PolarHBondContact O-OG1 3.39Å; N57-T59 VanDerWaalsContact C-N 3.31Å; T59-K61 VanDerWaalsContact C-N 3.29Å; T59-K61 PolarHBondContact O-N 3.35Å; T59-F62 CarbonylContact O-C 3.59Å; T59-F62 WeakPolarHBondContact O-CB 3.4Å; T59-F62 PolarHBondContact O-N 3.1Å; T59-F62 VanDerWaalsContact O-N 3.08Å; T59-T63 HydrophobicContact CG2-CG2 4.06Å; T59-T63 PolarHBondContact O-N 2.91Å; T59-T63 PolarHBondContact O-OG1 2.97Å; T59-T63 VanDerWaalsContact O-OG1 3.09Å
60I90.1Very high90.6Very high115 Ų11556.4 Ų56.459%0.5931%0.306SS*.Hα-helixtrans-63.4-38.6-175.8-59.3169.7000110.7T48 N58 T63 T64T48-I60 HydrophobicContact CG2-CG1 3.93Å; N58-I60 PolarHBondContact O-N 3.15Å; I60-T63 PolarHBondContact O-OG1 2.89Å; I60-T64 VanDerWaalsContact O-CB 3.29Å; I60-T64 WeakPolarHBondContact O-CB 3.47Å; I60-T64 PolarHBondContact O-N 3.17Å; I60-T64 PolarHBondContact O-OG1 2.6Å
61K90.8Very high90.5Very high140 Ų14058.4 Ų58.461%0.60931%0.314SS*.Hα-helixtrans-62.8-44.6174.3-59.3176.9-177.1172.10110.5N58 T59 W65N58-K61 PolarHBondContact O-N 3.09Å; T59-K61 VanDerWaalsContact C-N 3.29Å; T59-K61 PolarHBondContact O-N 3.35Å; K61-W65 WeakPolarHBondContact O-CB 3.47Å; K61-W65 PolarHBondContact O-N 3.04Å; K61-W65 VanDerWaalsContact O-N 3.14Å
62F92.8Very high90.3Very high0 Ų065.7 Ų65.70%035%0.345CS..Hα-helixtrans-68-46.9179.6-178.9-96.7000113.5I15 K18 L19 L22 I34 L51 L55 N58 T59 T64 W65 L66I15-F62 HydrophobicContact CG1-CZ 4.35Å; I15-F62 HydrophobicContact CG2-CE2 4.48Å; I15-F62 HydrophobicContact CG2-CZ 4.04Å; K18-F62 HydrophobicContact CB-CE2 4.38Å; K18-F62 HydrophobicContact CG-CD2 4.24Å; K18-F62 HydrophobicContact CG-CE2 4.48Å; L19-F62 HydrophobicContact CD2-CD2 3.82Å; L19-F62 HydrophobicContact CD2-CE1 4.41Å; L19-F62 HydrophobicContact CD2-CE2 3.59Å; L19-F62 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CZ 3.93Å; L19-F62 HydrophobicContact CG-CD2 4.44Å; L19-F62 HydrophobicContact CG-CE2 3.86Å; L19-F62 HydrophobicContact CG-CZ 4.29Å; L22-F62 HydrophobicContact CD1-CB 3.87Å; L22-F62 HydrophobicContact CD1-CD2 4.02Å; L22-F62 HydrophobicContact CD1-CG 4.4Å; I34-F62 HydrophobicContact CD1-CE1 3.88Å; I34-F62 HydrophobicContact CD1-CZ 3.84Å; I34-F62 HydrophobicContact CG1-CE1 4.47Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.33Å; L51-F62 HydrophobicContact CD1-CD1 3.83Å; L51-F62 HydrophobicContact CD1-CE1 3.79Å; L55-F62 HydrophobicContact CD1-CB 3.98Å; L55-F62 HydrophobicContact CD1-CD1 3.7Å; L55-F62 HydrophobicContact CD1-CE1 4.38Å; L55-F62 HydrophobicContact CD1-CG 3.79Å; N58-F62 PolarHBondContact O-N 3.41Å; T59-F62 CarbonylContact O-C 3.59Å; T59-F62 WeakPolarHBondContact O-CB 3.4Å; T59-F62 PolarHBondContact O-N 3.1Å; T59-F62 VanDerWaalsContact O-N 3.08Å; F62-T64 PolarHBondContact O-N 3.35Å; F62-W65 HydrophobicContact CD2-CE3 4.01Å; F62-W65 HydrophobicContact CD2-CZ3 4.19Å; F62-W65 AromaticContact CE2-CE3 3.86Å; F62-W65 HydrophobicContact CE2-CE3 3.86Å; F62-W65 AromaticContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CZ-CE3 4.47Å; F62-W65 HydrophobicContact CZ-CZ3 4.08Å; F62-W65 PolarHBondContact O-N 3.4Å; F62-L66 HydrophobicContact CE1-CB 4.44Å; F62-L66 HydrophobicContact CE1-CD2 3.89Å; F62-L66 HydrophobicContact CZ-CD2 4.3Å; F62-L66 VanDerWaalsContact O-CB 3.3Å; F62-L66 WeakPolarHBondContact O-CB 3.08Å; F62-L66 PolarHBondContact O-N 3.47Å
63T92.9Very high90Very high0 Ų066 Ų660%034%0.342CS..Hα-helixtrans-70.3-33.1-176.551.80000112.7M47 T48 L51 T59 I60 H67M47-T63 HydrophobicContact CB-CG2 4.01Å; T48-T63 WeakPolarHBondContact OG1-CB 3.4Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.47Å; T48-T63 PolarHBondContact OG1-OG1 3.36Å; L51-T63 HydrophobicContact CD1-CG2 4.07Å; T59-T63 HydrophobicContact CG2-CG2 4.06Å; T59-T63 PolarHBondContact O-N 2.91Å; T59-T63 PolarHBondContact O-OG1 2.97Å; T59-T63 VanDerWaalsContact O-OG1 3.09Å; I60-T63 PolarHBondContact O-OG1 2.89Å; T63-H67 PolarHBondContact O-N 2.98Å; T63-H67 PolarHBondContact O-ND1 3.01Å
64T93.2Very high89.8Confident86 Ų8666.2 Ų66.253%0.52833%0.333SS..Hα-helixtrans-66-47.8171.2-55.10000111.1I60 F62 L66 H67 G68I60-T64 VanDerWaalsContact O-CB 3.29Å; I60-T64 WeakPolarHBondContact O-CB 3.47Å; I60-T64 PolarHBondContact O-N 3.17Å; I60-T64 PolarHBondContact O-OG1 2.6Å; F62-T64 PolarHBondContact O-N 3.35Å; T64-L66 PolarHBondContact O-N 3.35Å; T64-H67 PolarHBondContact O-N 3.11Å; T64-G68 PolarHBondContact O-N 3.11Å
65W93.9Very high89.5Confident71 Ų7164.7 Ų64.727%0.26934%0.335SS..Hα-helixtrans-59.3-45.9174.4167.186.4000112A14 I15 K18 K61 F62 H67 G68 V69A14-W65 HydrophobicContact CB-CH2 4.31Å; A14-W65 HydrophobicContact CB-CZ2 4.46Å; A14-W65 WeakPolarHBondContact O-CH2 3.33Å; I15-W65 HydrophobicContact CG1-CH2 4.47Å; I15-W65 HydrophobicContact CG1-CZ3 4.33Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.18Å; K18-W65 HydrophobicContact CB-CH2 3.55Å; K18-W65 HydrophobicContact CB-CZ2 3.71Å; K18-W65 HydrophobicContact CB-CZ3 3.8Å; K18-W65 HydrophobicContact CD-CD2 4.04Å; K18-W65 HydrophobicContact CD-CG 4.31Å; K18-W65 HydrophobicContact CD-CZ2 4.17Å; K18-W65 HydrophobicContact CG-CD2 3.69Å; K18-W65 HydrophobicContact CG-CE3 3.78Å; K18-W65 HydrophobicContact CG-CG 4.31Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.92Å; K18-W65 HydrophobicContact CG-CZ3 3.95Å; K61-W65 WeakPolarHBondContact O-CB 3.47Å; K61-W65 PolarHBondContact O-N 3.04Å; K61-W65 VanDerWaalsContact O-N 3.14Å; F62-W65 HydrophobicContact CD2-CE3 4.01Å; F62-W65 HydrophobicContact CD2-CZ3 4.19Å; F62-W65 AromaticContact CE2-CE3 3.86Å; F62-W65 HydrophobicContact CE2-CE3 3.86Å; F62-W65 AromaticContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CZ-CE3 4.47Å; F62-W65 HydrophobicContact CZ-CZ3 4.08Å; F62-W65 PolarHBondContact O-N 3.4Å; W65-H67 PolarHBondContact O-N 3.25Å; W65-G68 PolarHBondContact O-N 3.49Å; W65-G68 VanDerWaalsContact O-N 3.13Å; W65-V69 HydrophobicContact CD2-CG2 4.19Å; W65-V69 HydrophobicContact CZ2-CG2 3.91Å; W65-V69 WeakPolarHBondContact O-CG2 3.48Å; W65-V69 PolarHBondContact O-N 2.94Å
66L92.8Very high89.2Confident1 Ų169.8 Ų69.81%0.00537%0.367CS..Hα-helixtrans-62.4-43.5-178.6179.961000111.3I15 I34 V38 M47 F62 T64 V69 L70I15-L66 HydrophobicContact CD1-CD1 4.18Å; I15-L66 HydrophobicContact CG1-CD1 4.14Å; I34-L66 HydrophobicContact CG2-CD2 3.6Å; V38-L66 HydrophobicContact CG2-CD2 4.15Å; M47-L66 HydrophobicContact CE-CD2 3.81Å; M47-L66 HydrophobicContact CE-CG 4.39Å; M47-L66 HydrophobicContact SD-CD2 4.06Å; F62-L66 HydrophobicContact CE1-CB 4.44Å; F62-L66 HydrophobicContact CE1-CD2 3.89Å; F62-L66 HydrophobicContact CZ-CD2 4.3Å; F62-L66 VanDerWaalsContact O-CB 3.3Å; F62-L66 WeakPolarHBondContact O-CB 3.08Å; F62-L66 PolarHBondContact O-N 3.47Å; T64-L66 PolarHBondContact O-N 3.35Å; L66-V69 PolarHBondContact O-N 2.71Å; L66-L70 HydrophobicContact CD1-CD1 4.01Å; L66-L70 HydrophobicContact CD1-CG 4.26Å; L66-L70 HydrophobicContact CG-CD1 3.91Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 2.97Å
67H90.5Very high88.3Confident63 Ų6371.7 Ų71.729%0.29238%0.379SS..Hα-helixtrans-60.4-46.1172.1-85.678.6000111.7S44 M47 T63 T64 W65 V69 L70 E71S44-H67 WeakPolarHBondContact CA-CE1 3.41Å; S44-H67 VanDerWaalsContact CB-CE1 3.42Å; S44-H67 WeakPolarHBondContact CB-CE1 3.22Å; S44-H67 PolarHBondContact N-CE1 3.4Å; S44-H67 PolarHBondContact N-NE2 3.07Å; M47-H67 WeakPolarHBondContact CE-CE1 3.39Å; T63-H67 PolarHBondContact O-N 2.98Å; T63-H67 PolarHBondContact O-ND1 3.01Å; T64-H67 PolarHBondContact O-N 3.11Å; W65-H67 PolarHBondContact O-N 3.25Å; H67-V69 VanDerWaalsContact C-N 3.29Å; H67-V69 PolarHBondContact O-N 3.38Å; H67-L70 PolarHBondContact O-N 3.28Å; H67-E71 VanDerWaalsContact O-CB 3.32Å; H67-E71 WeakPolarHBondContact O-CB 3.42Å; H67-E71 PolarHBondContact O-N 3.35Å
68G91.9Very high86.7Confident34 Ų3467.2 Ų67.235%0.35137%0.37SS..Hα-helixtrans-60.8-34177.500000114.2T64 W65 K72T64-G68 PolarHBondContact O-N 3.11Å; W65-G68 PolarHBondContact O-N 3.49Å; W65-G68 VanDerWaalsContact O-N 3.13Å; G68-K72 VanDerWaalsContact O-CG 3.27Å; G68-K72 WeakPolarHBondContact O-CG 3.47Å; G68-K72 PolarHBondContact O-N 3.2Å
69V91.3Very high84.5Confident38 Ų3872 Ų7223%0.2339%0.391CS..Hα-helixtrans-71.8-45.9174.11710000111.3W65 L66 H67 E71 K72 L73W65-V69 HydrophobicContact CD2-CG2 4.19Å; W65-V69 HydrophobicContact CZ2-CG2 3.91Å; W65-V69 WeakPolarHBondContact O-CG2 3.48Å; W65-V69 PolarHBondContact O-N 2.94Å; L66-V69 PolarHBondContact O-N 2.71Å; H67-V69 VanDerWaalsContact C-N 3.29Å; H67-V69 PolarHBondContact O-N 3.38Å; V69-E71 VanDerWaalsContact C-N 3.31Å; V69-E71 PolarHBondContact O-N 3.25Å; V69-K72 PolarHBondContact O-N 3.42Å; V69-L73 HydrophobicContact CG1-CD1 3.91Å; V69-L73 HydrophobicContact CG1-CG 4.47Å; V69-L73 WeakPolarHBondContact O-CB 3.34Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 3.28Å
70L89.4Confident82Confident33 Ų3376.1 Ų76.117%0.17342%0.418CS..Hα-helixtrans-66.9-32.2179.2-67.2167.5000112.5I11 V38 L66 H67 R74I11-L70 HydrophobicContact CD1-CD2 4.15Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.78Å; V38-L70 HydrophobicContact CG1-CD2 3.68Å; V38-L70 HydrophobicContact CG1-CG 4.4Å; V38-L70 HydrophobicContact CG2-CD1 3.66Å; L66-L70 HydrophobicContact CD1-CD1 4.01Å; L66-L70 HydrophobicContact CD1-CG 4.26Å; L66-L70 HydrophobicContact CG-CD1 3.91Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 2.97Å; H67-L70 PolarHBondContact O-N 3.28Å; L70-R74 WeakPolarHBondContact O-CB 3.29Å; L70-R74 PolarHBondContact O-N 3.29Å
71E89.9Confident79.8Confident87 Ų8777 Ų7741%0.40743%0.431SS..Hα-helixtrans-64.1-54173-163.959.6-139.100110.6H67 V69 L73 R74 S75H67-E71 VanDerWaalsContact O-CB 3.32Å; H67-E71 WeakPolarHBondContact O-CB 3.42Å; H67-E71 PolarHBondContact O-N 3.35Å; V69-E71 VanDerWaalsContact C-N 3.31Å; V69-E71 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.43Å; E71-R74 CarbonylContact O-C 3.56Å; E71-R74 WeakPolarHBondContact O-CA 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.44Å; E71-R74 PolarHBondContact O-N 2.88Å; E71-R74 IonicContact OE1-CZ 2.77Å; E71-R74 VanDerWaalsContact OE1-CZ 3.26Å; E71-R74 IonicContact OE1-NH1 2.68Å; E71-R74 IonicContact OE1-NH2 2.72Å; E71-R74 PolarHBondContact OE1-NH2 3.12Å; E71-R74 IonicContact OE2-CZ 2.61Å; E71-R74 IonicContact OE2-NH1 3.72Å; E71-R74 PolarHBondContact OE2-NH1 3.33Å; E71-R74 IonicContact OE2-NH2 2.6Å; E71-R74 PolarHBondContact OE2-NH2 3.17Å; E71-S75 PolarHBondContact O-N 3.41Å; E71-S75 PolarHBondContact O-OG 3.38Å; E71-S75 VanDerWaalsContact O-OG 3.12Å
72K87.8Confident77.2Confident153 Ų15375.3 Ų75.367%0.66544%0.437SS*.Hα-helixtrans-58.4-41.6177.9-70.8174-177.8-173.20112.5G68 V69 R74 S75 V76G68-K72 VanDerWaalsContact O-CG 3.27Å; G68-K72 WeakPolarHBondContact O-CG 3.47Å; G68-K72 PolarHBondContact O-N 3.2Å; V69-K72 PolarHBondContact O-N 3.42Å; K72-R74 VanDerWaalsContact C-N 3.32Å; K72-R74 PolarHBondContact O-N 3.24Å; K72-S75 PolarHBondContact O-N 3.07Å; K72-V76 WeakPolarHBondContact O-CG2 3.41Å; K72-V76 PolarHBondContact O-N 3.05Å
73L85.3Confident74.5Confident66 Ų6681.3 Ų81.335%0.34648%0.479SS..Hα-helixtrans-65.8-34175-71.4173.1000112.2I11 V69 E71 A77I11-L73 HydrophobicContact CD1-CD1 3.81Å; I11-L73 HydrophobicContact CG1-CD1 3.62Å; V69-L73 HydrophobicContact CG1-CD1 3.91Å; V69-L73 HydrophobicContact CG1-CG 4.47Å; V69-L73 WeakPolarHBondContact O-CB 3.34Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 3.28Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.43Å; L73-A77 WeakPolarHBondContact O-CB 3.3Å; L73-A77 PolarHBondContact O-N 3.36Å
74R83.2Confident71.7Confident147 Ų14789 Ų8956%0.55552%0.519SS*.Hα-helixtrans-71.3-37173.9-169.4168.179.2-102.47.7112.4L70 E71 K72 G78L70-R74 WeakPolarHBondContact O-CB 3.29Å; L70-R74 PolarHBondContact O-N 3.29Å; E71-R74 CarbonylContact O-C 3.56Å; E71-R74 WeakPolarHBondContact O-CA 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.44Å; E71-R74 PolarHBondContact O-N 2.88Å; E71-R74 IonicContact OE1-CZ 2.77Å; E71-R74 VanDerWaalsContact OE1-CZ 3.26Å; E71-R74 IonicContact OE1-NH1 2.68Å; E71-R74 IonicContact OE1-NH2 2.72Å; E71-R74 PolarHBondContact OE1-NH2 3.12Å; E71-R74 IonicContact OE2-CZ 2.61Å; E71-R74 IonicContact OE2-NH1 3.72Å; E71-R74 PolarHBondContact OE2-NH1 3.33Å; E71-R74 IonicContact OE2-NH2 2.6Å; E71-R74 PolarHBondContact OE2-NH2 3.17Å; K72-R74 VanDerWaalsContact C-N 3.32Å; K72-R74 PolarHBondContact O-N 3.24Å; R74-G78 PolarHBondContact O-N 3.06Å
75S83.6Confident69.4Low73 Ų7396.2 Ų96.251%0.5154%0.536SS..Hα-helixtrans-62.1-47.8172.8-490000111.3E71 K72 A77 G78E71-S75 PolarHBondContact O-N 3.41Å; E71-S75 PolarHBondContact O-OG 3.38Å; E71-S75 VanDerWaalsContact O-OG 3.12Å; K72-S75 PolarHBondContact O-N 3.07Å; S75-A77 PolarHBondContact O-N 3.31Å; S75-G78 PolarHBondContact O-N 3.27Å
76V79.6Confident66.6Low119 Ų119100 Ų10072%0.72156%0.557SS**Hα-helixtrans-70.2-29.3-179.7174.10000112.7K72K72-V76 WeakPolarHBondContact O-CG2 3.41Å; K72-V76 PolarHBondContact O-N 3.05Å
77A68.1Low63.8Low75 Ų75106.5 Ų106.562%0.6259%0.591SS**THydrogen-bonded Turntrans-89.6-3.1175.300000114.3L73 S75L73-A77 WeakPolarHBondContact O-CB 3.3Å; L73-A77 PolarHBondContact O-N 3.36Å; S75-A77 PolarHBondContact O-N 3.31Å
78G53.7Low61.3Low62 Ų62111.3 Ų111.364%0.63961%0.613SS**THydrogen-bonded Turntrans-88.7-19.6178.100000114.1R74 S75R74-G78 PolarHBondContact O-N 3.06Å; S75-G78 PolarHBondContact O-N 3.27Å
79E42.2Very low58.3Low147 Ų147114.5 Ų114.569%0.68763%0.63SS**SBendtrans-91.3127.3174.8-97-80.295.200110.8P81E79-P81 WeakPolarHBondContact O-CD 3.45Å
80P39.8Very low55.4Low89 Ų89120 Ų12058%0.57866%0.658SS**  trans-76.7117.317330.1-31.4000110.5S82P80-S82 PolarHBondContact O-N 2.95Å; P80-S82 PolarHBondContact O-OG 3.45Å
81P42.5Very low52.5Low134 Ų134123.6 Ų123.687%0.8769%0.687SS**  trans-70.1103.5-166.227.1-35.6000113E79E79-P81 WeakPolarHBondContact O-CD 3.45Å
82S36.5Very low49.7Very low104 Ų104126.2 Ų126.273%0.72771%0.708SS**  trans-11981.6-179.6-580000111.4P80P80-S82 PolarHBondContact O-N 2.95Å; P80-S82 PolarHBondContact O-OG 3.45Å
83S37.4Very low47Very low126 Ų126124.7 Ų124.788%0.88171%0.712SS**  trans66.5151.3-178.5-59.30000114.1
84L34Very low44.3Very low161 Ų161128.3 Ų128.384%0.84374%0.736SS**  cis-146.2155.628.3172.3144000111.5
85R43.3Very low41.7Very low237 Ų237132.4 Ų132.489%0.89475%0.753SS**  trans-93.4136.5171-85.8-165.1176.7-149.52.8112.3
86H35Very low39Very low152 Ų152132.6 Ų132.670%0.70477%0.767SS**  trans-39.8127.3161.216986.8000114.8
87L35.5Very low36.9Very low137 Ų137136.8 Ų136.872%0.71778%0.776SS**  -168.1171.9120.7-101.1170.9000111.7
88Q37.1Very low35.3Very low163 Ų163139.1 Ų139.176%0.76278%0.784SS**  trans-83.4172.3-176.5-57.5150.5-29.500111.1
89S30.1Very low34Very low101 Ų101141.1 Ų141.171%0.70679%0.788SS**  cis-153.8163.320.4-470000113.7
90D30.3Very low33.4Very low153 Ų153141.1 Ų141.182%0.81879%0.791SS**  trans23.7129.1150.7-51.3-10.6000120.5
91S28.2Very low32.7Very low110 Ų110143.1 Ų143.177%0.76980%0.797SS**  172.6176.169.547.80000113.4
92V31.4Very low32.2Very low141 Ų141143.3 Ų143.386%0.85579%0.786SS**  trans86.4127.7167-175.20000118.7
93T30.4Very low31.9Very low122 Ų122145.1 Ų145.175%0.74879%0.788SS**  trans-88.3151.3-176-40.40000113.6
94V28.3Very low31.5Very low141 Ų141142.9 Ų142.986%0.85578%0.784SS**  trans-158.6149.4139.2142.80000109.7
95Y28Very low31.5Very low233 Ų233147.1 Ų147.191%0.91479%0.789SS**  trans-85.1139.4173.8-106-107.6000111.9
96G28.2Very low30.7Very low78 Ų78139.2 Ų139.280%0.80478%0.775SS**  trans176.9114.8168.600000117.1
97K34Very low30.6Very low206 Ų206139.8 Ų139.890%0.89678%0.778SS**  trans-107.5162.2154.9-94.6-178.9175.2-179.80107.4
98P36Very low30.5Very low124 Ų124138.9 Ų138.981%0.80577%0.774SS**  cis-116.5-149.424.216.59.4000112.5
99C26.2Very low30.4Very low105 Ų105137.9 Ų137.971%0.70977%0.773SS**  157.8157.1-54.9-159.60000110
100I28.7Very low30.5Very low147 Ų147141.4 Ų141.475%0.75478%0.775SS**  trans69.7144.7173.1-90.1165.3000113.7
101D26.8Very low30.5Very low131 Ų131140.6 Ų140.670%0.70177%0.77SS**  cis-154172.84.7-129.5-10.4000115.7
102E30.8Very low30.6Very low138 Ų138142.9 Ų142.965%0.64577%0.773SS**  trans13.3142.6152.6-73.6-7970.900126.1
103N30Very low30.4Very low142 Ų142140.2 Ų140.276%0.75977%0.766SS**  trans50.2147140.6-67.8-34.4000124.5
104G30.3Very low30.3Very low79 Ų79140.7 Ų140.781%0.81477%0.768SS**  trans160.898.615600000117.5
105R32.3Very low30.2Very low249 Ų249139.2 Ų139.294%0.9476%0.764SS**  trans-83.9158.9174.1177.3-174.1171.9167.3-2.1111.8
106A27.8Very low30.2Very low72 Ų72132.9 Ų132.960%0.59575%0.754SS**  trans101.294.8153.100000120.1
107E33Very low30.3Very low163 Ų163133.5 Ų133.576%0.76275%0.746SS**  62.6145117.586.3-174.6102.600126.5
108N32.5Very low30.3Very low119 Ų119134.1 Ų134.164%0.63674%0.743SS**  trans66.8106.9145.7-78.8-52.5000123.5
109L35.5Very low30Very low142 Ų142134.5 Ų134.574%0.74374%0.743SS**  70.5138124.2-73172.6000123.2
110K32.8Very low30.1Very low174 Ų174135.6 Ų135.676%0.75774%0.742SS**  trans79.8113148.7-75.4174.8178.7176.70121.1
111L30.5Very low30.5Very low137 Ų137137.8 Ų137.872%0.71774%0.74SS**  72.1108128-60.2172.9000120.9
112L28.9Very low30.7Very low157 Ų157139 Ų13982%0.82274%0.744SS**  73.1138.4125.4-63175.7000121.9
113A28.5Very low30.7Very low86 Ų86140.7 Ų140.771%0.71175%0.752SS**  trans93103.7140.500000120.8
114V28.3Very low30.8Very low132 Ų132138.7 Ų138.780%0.876%0.755SS**  68.3116126.5-178.80000118.9
115S26.3Very low32.3Very low109 Ų109140.8 Ų140.876%0.76275%0.754SS**  trans29.2139.8136.2-42.80000119.7
116S27.5Very low32.1Very low101 Ų101135.4 Ų135.471%0.70675%0.749SS**  cis-179156.344.7-155.90000113.1
117S30.7Very low32.3Very low90 Ų90137.3 Ų137.363%0.62976%0.758SS**  trans63.7118.9137.7-69.50000123.4
118R34.2Very low32.2Very low220 Ų220134.5 Ų134.583%0.8376%0.756SS**  90.7133.9117.8-77177.6161.3-151.3-6.2122
119T28.5Very low32.3Very low131 Ų131134.2 Ų134.280%0.80476%0.763SS**  trans67.2149.5140.751.90000119.5
120D29.4Very low32.1Very low128 Ų128131.7 Ų131.768%0.68476%0.763SS**  cis-171.4155.5-17.7177.1-139.4000109.1
121R35.5Very low32Very low193 Ų193134 Ų13473%0.72877%0.768SS**  trans61168.6159.9-91.8179175.4-164.9-7.8118.4
122M31.8Very low31.9Very low156 Ų156134 Ų13477%0.76877%0.77SS**  cis-153.2150-7.934.6-157.6159.600113.2
123E31.6Very low31.9Very low174 Ų174130.1 Ų130.181%0.81376%0.756SS**  trans-12148.5149.3-45.9177.7105.200120.6
124A32.3Very low32.4Very low101 Ų101137 Ų13784%0.83576%0.763SS**  -179.5152.811600000113.6
125P60.3Low32.8Very low122 Ų122140 Ų14079%0.79277%0.765SS**  trans-132.3173.4-172.644.1-30.3000117.1
126V28.6Very low33Very low136 Ų136137.5 Ų137.582%0.82476%0.757SS**  trans-169.3138.9145.1-93.10000108.6
127S32.2Very low33.2Very low112 Ų112140.9 Ų140.978%0.78376%0.763SS**  72.4139.359.6-81.40000115.1
128S30.4Very low33.6Very low105 Ų105143.4 Ų143.473%0.73477%0.769SS**  cis-168.3-177.9-5.2-165.70000112.4
129S34.3Very low33.5Very low112 Ų112135.9 Ų135.978%0.78376%0.76SS**  trans70.2171.815273.60000122.8
130A32.8Very low34Very low90 Ų90139.7 Ų139.774%0.74477%0.765SS**  174.9136.4-63.900000113.7
131Y29.6Very low34.1Very low221 Ų221136.5 Ų136.587%0.86776%0.763SS**  trans-177.9140145.457.6-100.8000109.8
132D27.6Very low33.7Very low139 Ų139136.6 Ų136.674%0.74377%0.769SS**  74.913555.3-105.3-95.2000114.4
133S30.1Very low33.6Very low75 Ų75134.6 Ų134.652%0.52477%0.77SS.*  cis-170.4169.311.1-1500000114.6
134R38.7Very low33.9Very low231 Ų231134.6 Ų134.687%0.87276%0.763SS**  trans71.6155.1156.6-62.2157.9-152.2-154.46.7119.5
135K35.9Very low33.9Very low194 Ų194137.3 Ų137.384%0.84376%0.758SS**  cis-177.5152.2-23.5175.3179.6176-173.70107.3
136G32.2Very low32.6Very low56 Ų56137.2 Ų137.258%0.57776%0.755SS**  cis134.395.6-5.600000115
137M31.1Very low32.8Very low172 Ų172135.8 Ų135.885%0.84775%0.751SS**  trans-152.5151.3171.9-75.6-169.371.300108.9
138L39.6Very low32.8Very low143 Ų143135.9 Ų135.975%0.74975%0.747SS**  cis167.9135.5-18.1-111.3164.9000104.4
139G32.1Very low33Very low62 Ų62138 Ų13864%0.63975%0.749SS**  cis161.8171.1-12.500000113
140K38Very low33Very low212 Ų212142.1 Ų142.192%0.92275%0.752SS**  trans74.9140.5169.7-50.5167.6-178.8175.20117.2
141G31.6Very low33.2Very low61 Ų61143 Ų14363%0.62975%0.751SS**  cis156.3145.7-16.400000115.7
142F27.5Very low32.9Very low195 Ų195140.2 Ų140.286%0.85575%0.745SS**  trans57.6150.5163.9-64.5-96.4000117.9
143S29.9Very low33Very low113 Ų113139.6 Ų139.679%0.7975%0.746SS**  cis-154-169.630.1-160.70000113.6
144R38Very low33.4Very low175 Ų175144.6 Ų144.666%0.6676%0.762SS**  trans-121.3170.8-155.7-47.5163.3-179.3176.9-2.2114.8
145H32.6Very low33.4Very low158 Ų158138.8 Ų138.873%0.73175%0.754SS**  trans74.1160.4161.8-35.3-69.3000116
146T32.6Very low33.9Very low120 Ų120137.2 Ų137.274%0.73675%0.754SS**  cis-142.5168.612.158.50000113.2
147S33.2Very low34.1Very low106 Ų106140.5 Ų140.574%0.74177%0.765SS**  trans71.2158.2145-71.30000122.3
148T30.7Very low34.7Very low113 Ų113137.4 Ų137.469%0.69376%0.76SS**  cis179.8158.7-33.1-96.80000109.3
149I35Very low34.6Very low151 Ų151139.4 Ų139.477%0.77477%0.765SS**  trans69.8120.8174.1-79159.2000113.1
150K34.8Very low34.7Very low197 Ų197141 Ų14186%0.85777%0.773SS**  cis124.5160.236.3-106.3-157.3172.8-175.30106.9
151P36.3Very low34.5Very low110 Ų110136.6 Ų136.671%0.71476%0.763SS**  trans-135.4-176.3-135.744.2-28.4000116.7
152H23.7Very low34.6Very low162 Ų162141.5 Ų141.575%0.7577%0.774SS**  trans62.3109.8142.5-175.6-66.5000119.6
153T28.8Very low34.8Very low125 Ų125138.6 Ų138.677%0.76777%0.767SS**  -174.6127.1128.829.20000112.4
154E38.9Very low35Very low181 Ų181139.6 Ų139.685%0.84676%0.762SS**  trans-77.7146.1140.1-171.7173.7132.700106.2
155P39.3Very low35Very low108 Ų108138.6 Ų138.670%0.70176%0.762SS**  cis-145.2-165.146.143.7-22.8000117.1
156L45.6Very low36.1Very low162 Ų162136.5 Ų136.585%0.84876%0.763SS**  trans-52.8152.3171.5-59.1168.1000114.1
157P37.9Very low36.3Very low124 Ų124137.6 Ų137.681%0.80576%0.76SS**  trans-130167.3137.338.2-29000113.8
158S42.8Very low37.2Very low108 Ų108140.5 Ų140.576%0.75576%0.763SS**  trans-126.7-174.7-178.8-57.20000111.3
159E37.2Very low37.7Very low184 Ų184142.3 Ų142.386%0.8677%0.769SS**  trans95.3172.9154.9-47.5-148.7121.800120
160A35Very low37.8Very low96 Ų96142 Ų14279%0.79377%0.769SS**  trans68.198.7-166.600000115.2
161V32.5Very low37.8Very low119 Ų119138.6 Ų138.672%0.72176%0.76SS**  cis94.999.527.5-175.80000115.3D163V161-D163 HydrophobicContact CG1-CB 4.24Å
162I33.6Very low37.9Very low165 Ų165140.3 Ų140.385%0.84676%0.762SS**  trans-150.9126.6137-45.3179000104.6
163D32Very low38.2Very low133 Ų133140.4 Ų140.471%0.71177%0.767SS**  cis102.9160.29.2-154.718.6000116.1V161V161-D163 HydrophobicContact CG1-CB 4.24Å
164I34.7Very low38.5Very low134 Ų134138.2 Ų138.269%0.68776%0.762SS**  trans71.875.2-176.8-49179000113.7
165K38.8Very low38.1Very low154 Ų154137.7 Ų137.767%0.6776%0.759SS**  85.7134.981.4-171.2-171.6178-147.50112.8
166P55.5Low37.8Very low115 Ų115140.4 Ų140.475%0.74776%0.762SS**  trans-88.6148.6171.935.5-33.6000112
167E36.8Very low38Very low143 Ų143137.3 Ų137.367%0.66875%0.752SS**  trans-142163.6163.744.3-135.112000111.7
168M52.3Low37.7Very low166 Ų166137.9 Ų137.982%0.81875%0.753SS**  trans-148.7107.6-163.437.7158.647.500107.8
169D40.4Very low37.2Very low152 Ų152140.3 Ų140.381%0.81375%0.752SS**  trans-140.7106.3174.5-80.3-68.5000110.1
170D37.1Very low36.9Very low144 Ų144139 Ų13977%0.7775%0.748SS**  trans12.9165.9138.7-74.7-71.5000126
171D35.1Very low36.8Very low126 Ų126137.4 Ų137.467%0.67474%0.741SS**  trans8896.9144.7-78.9-14.3000123.4
172L37.3Very low36.5Very low145 Ų145139.5 Ų139.576%0.75975%0.748SS**  77.5167.9122.1-64.3168.4000120.7
173I31.6Very low36.3Very low165 Ų165134.7 Ų134.785%0.84674%0.739SS**  trans71.3124.3165.2-47.1-174.8000115.3
174A33.6Very low36.3Very low79 Ų79140 Ų14065%0.65375%0.75SS**  cis-171.1172-13.200000108.8
175E30.9Very low36.2Very low170 Ų170139.9 Ų139.979%0.79476%0.755SS**  trans19.7139.2142.3-52.1-5295.700123
176E32.6Very low35.7Very low165 Ų165144.4 Ų144.477%0.77177%0.768SS**  trans-12.9172.3135.4-100.4-150.9119.100121.2
177P50.4Low34.3Very low96 Ų96142.8 Ų142.862%0.62377%0.772SS**  cis-128.6-163.5-2.342.3-24.3000112.3
178V31.4Very low33.9Very low137 Ų137140.4 Ų140.483%0.8378%0.776SS**  -152.8146.272.1-162.70000111.9
179E32.4Very low32.8Very low158 Ų158138.3 Ų138.374%0.73878%0.778SS**  trans-74.3151.5176.9-59-174.4112.500115.7
180M31.6Very low32.6Very low157 Ų157142.5 Ų142.577%0.77378%0.783SS**  179.6142.3116-146.796.4-59.300107.8
181G31.2Very low33Very low62 Ų62140.8 Ų140.864%0.63978%0.78SS**  cis158.3153.50.700000106.5
182N27.9Very low32.5Very low163 Ų163140.8 Ų140.887%0.87278%0.784SS**  cis-150.31625-63.2-45.3000107.6
183G28.4Very low32.2Very low65 Ų65140.2 Ų140.267%0.6778%0.781SS**  cis151.9145.2-8.100000113.3
184R32.9Very low32.2Very low245 Ų245139.2 Ų139.293%0.92577%0.773SS**  trans74.8153.1162.2-49.3-179178.5-170-2116.2
185T31.1Very low32.1Very low131 Ų131142.7 Ų142.780%0.80478%0.779SS**  cis-146.8165.910.8-25.10000113.8
186R29.3Very low32Very low249 Ų249143.8 Ų143.894%0.9478%0.777SS**  trans-56.3164169.3-51.2167.4179.4162.1-3.1113.3
187G26.1Very low32.2Very low80 Ų80146.4 Ų146.483%0.82578%0.78SS**  trans169.8131.7150.900000116.3
188A28.4Very low31.4Very low93 Ų93146 Ų14677%0.76978%0.778SS**  trans-89.3166174.400000113
189S29Very low31.2Very low122 Ų122142.2 Ų142.285%0.85377%0.766SS**  trans75.4145.2154.5-620000120.8
190R35.7Very low31.1Very low240 Ų240144 Ų14491%0.90677%0.774SS**  trans-54.5162.3156.4-79.2174.6161-176.1-6111.1
191P45.9Very low30.9Very low109 Ų109141.5 Ų141.571%0.70877%0.772SS**  cis-150.2-166.135.742.7-21.2000117.2
192T25.4Very low31Very low126 Ų126146.4 Ų146.477%0.77378%0.776SS**  trans70.7142145.5-64.80000119.1
193L30.7Very low31Very low133 Ų133146.7 Ų146.770%0.69677%0.77SS**  cis-176.6154.9-21.9-16380000107.6
194E30.7Very low31Very low143 Ų143150.1 Ų150.167%0.66878%0.778SS**  trans60.8168.8168.8-60.7-44.4122.100117.5
195I32.6Very low31Very low153 Ų153143.8 Ų143.879%0.78577%0.771SS**  cis-133.1127.48-52.5159.7000110.9
196Y27.9Very low30.9Very low193 Ų193145.2 Ų145.276%0.75778%0.779SS**  166.4116.2111.4-166-110.3000112.7P198Y196-P198 HydrophobicContact CE1-CG 3.95Å
197R36.2Very low30.8Very low220 Ų220138.2 Ų138.283%0.8377%0.769SS**  trans-154.9122.8164.2-171.5-124.5-96.8133.6-2.2111.9
198P34.1Very low30.9Very low88 Ų88139.2 Ų139.257%0.57176%0.763SS**  trans-90134146.2-5.125.1000108.4Y196Y196-P198 HydrophobicContact CE1-CG 3.95Å
199G27.2Very low31.2Very low57 Ų57141.9 Ų141.959%0.58876%0.764SS**  cis86.3125.127.700000108.4
200Q31Very low31.4Very low194 Ų194143.4 Ų143.491%0.90776%0.757SS**  cis-144.2-164.49.7-54.7176.4-4.500107.6
201S26.9Very low31.1Very low105 Ų105137.9 Ų137.973%0.73474%0.743SS**  cis-150.9-175.20.5-163.40000110.1
202K33.9Very low30.3Very low165 Ų165138.1 Ų138.172%0.71775%0.746SS**  trans-107.1158.3-176.5-48.8146.8-1751710110.6
203F28Very low30.8Very low170 Ų170142.5 Ų142.575%0.74675%0.748SS**  151.2153.8115.1-84.8-61.6000116.5
204T28Very low31.6Very low136 Ų136141.4 Ų141.483%0.83475%0.749SS**  trans65.6138.9151.343.30000122.1
205S33.4Very low32.8Very low113 Ų113139.1 Ų139.179%0.7975%0.747SS**  trans-82.8152.7170.7-26.60000112.4
206V28.3Very low32.9Very low160 Ų160139.9 Ų139.997%0.9775%0.747SS**  trans-157173.8143.7-105.20000111.7
207S26.4Very low33Very low103 Ų103134.1 Ų134.172%0.7275%0.747SS**  trans-95.3176.1-160.2-175.50000116
208S29.3Very low32.9Very low101 Ų101128.6 Ų128.671%0.70674%0.742SS**  trans76.8125.1151.4-50.70000116.7
209L35.3Very low32.9Very low148 Ų148129.6 Ų129.678%0.77575%0.751SS**  cis-146.6148.848.7-79.5159.4000109.8
210E31.6Very low33.2Very low154 Ų154131.9 Ų131.972%0.7276%0.758SS**  56.8138.477-78.9-139.5116.800115.3
211M29.5Very low33.4Very low125 Ų125129.1 Ų129.162%0.61675%0.747SS**  cis-163.1-176.3-6.21744985.800109.8R213M211-R213 HydrophobicContact SD-CB 4.27Å
212C30.7Very low33.7Very low113 Ų113133 Ų13376%0.76475%0.745SS**  trans96.6101.4163.7-56.20000116.8
213R35.2Very low33.8Very low218 Ų218131 Ų13182%0.82374%0.738SS**  cis45.3161.622.8-104.8-171.5-173.9167.73.6114.3M211M211-R213 HydrophobicContact SD-CB 4.27Å
214P47.8Very low34Very low110 Ų110129.7 Ų129.771%0.71474%0.735SS**  cis-132.2-125.6-7.431.6-6.3000112.3
215P56.4Low34Very low96 Ų96130.3 Ų130.362%0.62373%0.733SS**  -127.5-165-79.831.2-11.2000116.5
216E33.1Very low33.8Very low168 Ų168127.9 Ų127.979%0.78573%0.726SS**  trans111127.7152-59.6-54100.700114.6
217G30.9Very low34Very low73 Ų73131.9 Ų131.975%0.75372%0.723SS**  cis167.3168.1-1.900000109.2
218S33.1Very low34.2Very low103 Ų103132.3 Ų132.372%0.7273%0.727SS**  cis-170.1146.5-9.7-174.50000111.7
219S33.9Very low34.4Very low109 Ų109132.9 Ų132.976%0.76273%0.73SS**  trans64.5175.1156.983.20000118.2
220S35Very low34.3Very low105 Ų105135.9 Ų135.973%0.73474%0.737SS**  cis-170172.20.8-123.70000108.1
221M33.7Very low34.3Very low137 Ų137132.7 Ų132.768%0.67574%0.737SS**  cis-169.1173.7-16-154.2-163.2178.900109.7
222R34.3Very low34.6Very low185 Ų185131.6 Ų131.670%0.69874%0.742SS**  trans78129.8158.1-64.3-157.2-176-119.46.9118.7
223Q35Very low34.9Very low124 Ų124137.1 Ų137.158%0.57975%0.747SS**  79.5142.660.8-69.3170.4-13.400112.6
224Q32.9Very low34.7Very low143 Ų143133.5 Ų133.567%0.66875%0.749SS**  cis-163.6163.56.4-123.5164.3-39.500111.9
225D28.1Very low33.9Very low149 Ų149131.7 Ų131.780%0.79775%0.75SS**  trans46.4153.7151.8-53.4-42.5000122.7
226G28.9Very low32.7Very low62 Ų62134.8 Ų134.864%0.63976%0.761SS**  cis166152.2-9.900000113.8
227R33.2Very low32.5Very low243 Ų243132.7 Ų132.792%0.91777%0.765SS**  trans62.9125.3169.3-51.4178.6-177.6-147.6-2.1116.6
228S29.6Very low32.5Very low113 Ų113136.3 Ų136.379%0.7976%0.76SS**  cis80.7131.930.7-50.20000115.5
229S35Very low32.3Very low112 Ų112137.6 Ų137.678%0.78375%0.754SS**  cis-172.9145.4-9.7-91.80000111.2
230K33.2Very low32.1Very low211 Ų211140.1 Ų140.192%0.91775%0.754SS**  trans-162.8136.5155.8-116.1170.3-172.8179.10116.4
231A31.4Very low31.9Very low87 Ų87143.1 Ų143.172%0.71976%0.757SS**  trans7.9148.6158.200000121.9
232S34.3Very low31.7Very low103 Ų103144 Ų14472%0.7276%0.761SS**  cis-157.8152.636.1-610000116.7
233R37.6Very low31.6Very low229 Ų229141.2 Ų141.286%0.86477%0.769SS**  trans69.7103.8146.1-74.1173.8-174.7-153.2-1.5121.8
234T31.9Very low32.7Very low141 Ų141146.6 Ų146.687%0.86578%0.784SS**  47.9132.512655.10000121.1
235G29.9Very low33.1Very low72 Ų72149.7 Ų149.774%0.74280%0.796SS**  cis-169.3175.28.100000114.4
236L32.2Very low34.8Very low161 Ų161153.8 Ų153.884%0.84380%0.8SS**  trans-74.1144.1-162.7-89.760.5000115.6
237S28.8Very low35.2Very low124 Ų124160.9 Ų160.987%0.86781%0.813SS**  -139.5128.3128.8-172.90000108.9
238K30.4Very low35.2Very low149 Ų149153.8 Ų153.865%0.64881%0.806SS**  trans-118.2137.9-178-102-163.4171.9-137.10108.5
239Q28.4Very low36.5Very low131 Ų131153.7 Ų153.761%0.61280%0.803SS**  66.7130.994.3-147.7175-17.900111
240E30Very low36.3Very low161 Ų161155.1 Ų155.175%0.75281%0.807SS**  cis-144.5178.832.5-162.1149102.200115.8
241E32.1Very low36.2Very low169 Ų169148.7 Ų148.779%0.7979%0.793SS**  trans-49.7167.4-171.3-161.8157114.700120.3
242M29.3Very low36.4Very low156 Ų156150.1 Ų150.177%0.76880%0.798SS**  trans-74149.3176.549.7169.7159.200115.1
243S31.8Very low36.5Very low125 Ų125151.3 Ų151.387%0.87481%0.806SS**  trans-151.3138.3143.5-97.30000111.7
244R58Low36.3Very low237 Ų237146.8 Ų146.889%0.89480%0.804SS**  trans-141.5116.6-177.1-71.4-174.3174.9-171.2-0.7112.2
245K40.2Very low36.5Very low208 Ų208146 Ų14690%0.90480%0.799SS**  trans-157.594161.1-102.8139-175.81740113.1
246R64.9Low36.8Very low236 Ų236153.4 Ų153.489%0.89180%0.804SS**  trans6.3139.4154.2-45.9178.3-173.1-155.11.3119.5
247K36.3Very low36.9Very low211 Ų211151.8 Ų151.892%0.91780%0.801SS**  -159.7169.7124.3-86.4125.9-166.3-179.90110.8
248A34.8Very low37Very low93 Ų93153 Ų15377%0.76980%0.797SS**  trans-147.6-174.8170.600000105.9
249P55.4Low37.2Very low112 Ų112156.4 Ų156.473%0.72781%0.806SS**  cis-137.5-157.25.532.5-6.5000113.7
250V31.4Very low37.3Very low141 Ų141153.6 Ų153.686%0.85581%0.806SS**  trans72.6150.2165-178.90000115.4
251A30.6Very low37.7Very low76 Ų76151.6 Ų151.663%0.62880%0.8SS**  cis-163.1169.1-41.300000108.6
252S35.9Very low37.9Very low117 Ų117151 Ų15182%0.81880%0.802SS**  trans28.5121.615757.90000120.9
253S36.8Very low38.5Very low128 Ų128152.8 Ų152.890%0.89581%0.809SS**  trans-149.2162.5141.6-1620000111.4
254V33.1Very low38.7Very low135 Ų135154.4 Ų154.482%0.81881%0.807SS**  trans-93.2161.3-168.5-169.40000111.3
255V36.7Very low37.7Very low125 Ų125147.1 Ų147.176%0.75879%0.793SS**  trans-57.6137.3176.1177.50000111.8V257V255-V257 HydrophobicContact CG1-CG2 4.48Å
256R35.1Very low37.6Very low227 Ų227143.6 Ų143.686%0.85778%0.784SS**  trans-132.7124.4152.5-77.9-174.5174.9173.1-3.1108.6
257V35.8Very low36.2Very low127 Ų127140.1 Ų140.177%0.7778%0.783SS**  trans-136.3105.3160.1177.60000105.6V255V255-V257 HydrophobicContact CG1-CG2 4.48Å
258N30.2Very low36.6Very low150 Ų150133.4 Ų133.480%0.80277%0.767SS**  trans-88.7134.4162.2-72.763.2000106.9
259R34.3Very low36.9Very low219 Ų219136.9 Ų136.983%0.82677%0.767SS**  trans-147.6125.5153.5-139.9-171.6169144.60.5107.4D261R259-D261 IonicContact NE-OD2 3.79Å
260A31.8Very low36.1Very low73 Ų73137.8 Ų137.860%0.60377%0.766SS**  trans-74.3175154.300000107.8
261D37.4Very low36.6Very low119 Ų119137.4 Ų137.464%0.63676%0.759SS**  -172.3108.4103.8-73.1-26.5000105.8R259R259-D261 IonicContact NE-OD2 3.79Å
262D35.5Very low37.2Very low155 Ų155140.2 Ų140.283%0.82976%0.764SS**  trans53.2166.7156.3-56.5-85.5000122.7
263E42.3Very low37.5Very low195 Ų195141.8 Ų141.891%0.91176%0.763SS**  trans-113.7176.1-169.2-56.6176.9126.100111.4
264D35.8Very low37.7Very low158 Ų158142.9 Ų142.985%0.84576%0.759SS**  trans131.7147.2134.4-153.421000118
265S38.2Very low37.8Very low84 Ų84143.9 Ų143.959%0.58776%0.76SS**  trans64.999.5162.6-148.20000123.3
266D38.4Very low37.9Very low135 Ų135141.9 Ų141.972%0.72276%0.756SS**  52163.1112.2-33.2-44.1000124.9
267D34Very low38.2Very low162 Ų162134.7 Ų134.787%0.86675%0.753SS**  trans64.8143.8168-95.620.8000118.5
268A45.4Very low38.2Very low71 Ų71139 Ų13959%0.58776%0.762SS**  cis-162.1157-8.800000111
269E40.4Very low38.4Very low165 Ų165134.8 Ų134.877%0.77175%0.753SS**  trans25.8155.9149.4-43.9-48.487.200124.9
270D38.5Very low38.6Very low132 Ų132129.6 Ų129.671%0.70675%0.751SS**  trans73.1112.6146.9-64.9-2.5000124.4
271D43.2Very low39Very low133 Ų133137.2 Ų137.271%0.71176%0.764SS**  69.3128.7116.6-62.5-1.1000125.8
272D42.8Very low39.4Very low134 Ų134137.5 Ų137.572%0.71778%0.775SS**  trans62.8111.6130.1-64-2.1000124.8
273D42.1Very low39.5Very low151 Ų151137.9 Ų137.981%0.80778%0.777SS**  72156.9124.2-85.4-29.1000126
274D40Very low39.2Very low150 Ų150134 Ų13480%0.80277%0.77SS**  trans75.3111.4156.3-83.4-28.5000125.2
275D36.9Very low39.2Very low157 Ų157131.9 Ų131.984%0.8477%0.769SS**  trans77.7163.4130.6-156.837.5000123.6
276A37.1Very low39.4Very low82 Ų82138.9 Ų138.968%0.67878%0.782SS**  trans71.780.7159.900000118.3
277G41.4Very low39.3Very low77 Ų77138.4 Ų138.479%0.79478%0.784SS**  trans-81.5155.2172.600000115.6
278F36.9Very low39.7Very low217 Ų217136 Ų13695%0.95278%0.78SS**  trans-151.4146.6168.1-141-95000113.5
279G35.1Very low39.6Very low61 Ų61139.4 Ų139.463%0.62979%0.787SS**  trans71.680.2144.300000121.2
280S36.8Very low39.8Very low110 Ų110137 Ų13777%0.76979%0.786SS**  35106.1128.3-1710000120.3
281R41.2Very low40.3Very low233 Ų233136.4 Ų136.488%0.87979%0.792SS**  -176.6132.8119.4-100.2162.1-166.2-1312.2113.8L283R281-L283 PolarHBondContact O-N 2.94Å
282S44.8Very low40.8Very low126 Ų126139.2 Ų139.288%0.88180%0.798SS**  trans-76.7105.8177.9-450000112.6
283L38.2Very low41.3Very low163 Ų163138.5 Ų138.585%0.85380%0.801SS**  trans-93.594.4171.2-65.6-179.4000110.9R281 S285R281-L283 PolarHBondContact O-N 2.94Å; L283-S285 PolarHBondContact O-N 3.47Å
284S36.2Very low42.2Very low112 Ų112140.4 Ų140.478%0.78381%0.805SS**  trans-87.5103.4175.4-168.90000110.8R286S284-R286 PolarHBondContact O-N 2.64Å
285S35.1Very low43.3Very low115 Ų115145.1 Ų145.180%0.80481%0.811SS**  trans-62.6102.1-175.2-68.30000113.6L283 V287L283-S285 PolarHBondContact O-N 3.47Å; S285-V287 PolarHBondContact O-N 3.45Å
286R42.3Very low44.7Very low230 Ų230146.5 Ų146.587%0.86881%0.81SS**  trans-86.494.2171.1-81.5-173.7164-177-3.7111.7S284 S288S284-R286 PolarHBondContact O-N 2.64Å; R286-S288 PolarHBondContact O-N 3.41Å; R286-S288 PolarHBondContact O-OG 3.05Å
287V37.6Very low46Very low126 Ų126147 Ų14776%0.76481%0.807SS**  trans-55.6110.3168.4178.60000109.7S285 L289S285-V287 PolarHBondContact O-N 3.45Å; V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-L289 PolarHBondContact O-N 2.98Å
288S42.5Very low47Very low112 Ų112150.3 Ų150.378%0.78381%0.811SS**  trans-89.492.1-178-68.50000110.4R286R286-S288 PolarHBondContact O-N 3.41Å; R286-S288 PolarHBondContact O-OG 3.05Å
289L43.3Very low48.4Very low141 Ų141144.8 Ų144.874%0.73879%0.791SS**  trans-67.2133.3174.7-63.4178.4000110.7V287V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-L289 PolarHBondContact O-N 2.98Å
290P43.4Very low50.2Low115 Ų115145.5 Ų145.575%0.74779%0.785SS**  trans-62.613917326.2-33.6000110.5K292P290-K292 PolarHBondContact O-N 3.25Å
291S49Very low51.8Low120 Ų120145.4 Ų145.484%0.83978%0.781SS**  trans-65.7101.9-174.338.20000111.7
292K53.4Low53.4Low192 Ų192139.2 Ų139.284%0.83578%0.78SS**PPolyproline II helixtrans-54.5129.2171.8-76.4170.2177.8165.10109.2P290 E294P290-K292 PolarHBondContact O-N 3.25Å; K292-E294 PolarHBondContact O-N 2.95Å
293P54.3Low54.9Low119 Ų119140.9 Ų140.977%0.77377%0.772SS**PPolyproline II helixtrans-61.7135.6-179.125.1-34000110.3R295P293-R295 PolarHBondContact O-N 2.91Å
294E60.8Low56.9Low191 Ų191137.2 Ų137.289%0.89375%0.75SS**PPolyproline II helixtrans-53.8126.9-175.1-69.9-176.6105.900111.8K292 K296K292-E294 PolarHBondContact O-N 2.95Å; E294-K296 PolarHBondContact O-N 3.24Å
295R62.2Low59.1Low248 Ų248134.6 Ų134.694%0.93674%0.735SS**  trans-67.3107.1171.5-75.6-179.2171.2162.6-4.2108.3P293P293-R295 PolarHBondContact O-N 2.91Å
296K67.1Low61.5Low186 Ų186134 Ų13481%0.80972%0.723SS**  trans-50.1133.8174.7-63.8173.4-176.4171.70109.4E294 T298E294-K296 PolarHBondContact O-N 3.24Å; K296-T298 PolarHBondContact O-N 2.69Å
297P63.8Low63.8Low94 Ų94129.8 Ų129.861%0.6171%0.707SS**  trans-59.6124.9-17522.3-33.2000111.2L299P297-L299 PolarHBondContact O-N 2.96Å; P297-L299 VanDerWaalsContact O-N 3.17Å
298T62.3Low66.3Low146 Ų146128.9 Ų128.990%0.89670%0.698SS**SBendtrans-65.4-17.8-173.2-360000113.6K296K296-T298 PolarHBondContact O-N 2.69Å
299L67.7Low68.6Low101 Ų101128.9 Ų128.953%0.52969%0.689SS.*SBendtrans-83.3137.3-177.9-68.7171000111.9P297 Q304P297-L299 PolarHBondContact O-N 2.96Å; P297-L299 VanDerWaalsContact O-N 3.17Å; L299-Q304 HydrophobicContact CB-CG 4.36Å; L299-Q304 PolarHBondContact O-NE2 2.83Å
300P72.8Confident70.9Confident76 Ų76126 Ų12649%0.49467%0.673SS.*  trans-64.1150.7175.228.3-35.2000110.9A302 K303P300-A302 PolarHBondContact O-N 2.78Å; P300-K303 HydrophobicContact CG-CB 4.46Å; P300-K303 HydrophobicContact CG-CG 4.45Å; P300-K303 PolarHBondContact O-N 3.49Å
301P70.8Confident73.2Confident107 Ų107124.1 Ų124.170%0.69566%0.656SS**G310 helixtrans-55.2-26.6-173.7-29.636.3000115.8K303 Q304P301-K303 PolarHBondContact O-N 2.64Å; P301-Q304 PolarHBondContact O-N 2.69Å
302A73.1Confident75.3Confident104 Ų104124.3 Ų124.386%0.8664%0.642SS**G310 helixtrans-71-12.5175.800000114.5P300P300-A302 PolarHBondContact O-N 2.78Å
303K77.3Confident77.2Confident161 Ų161117.9 Ų117.970%0.763%0.625SS**G310 helixtrans-111.44.2173.4-70-165.8173.5-168.60113.1P300 P301P300-K303 HydrophobicContact CG-CB 4.46Å; P300-K303 HydrophobicContact CG-CG 4.45Å; P300-K303 PolarHBondContact O-N 3.49Å; P301-K303 PolarHBondContact O-N 2.64Å
304Q80.4Confident79.1Confident86 Ų86116.2 Ų116.240%0.40261%0.608SS.*SBendtrans-86.9133.3174.7-65.1-179.57.300109.4L299 P301L299-Q304 HydrophobicContact CB-CG 4.36Å; L299-Q304 PolarHBondContact O-NE2 2.83Å; P301-Q304 PolarHBondContact O-N 2.69Å
305A81.3Confident80.6Confident56 Ų56109.5 Ų109.546%0.46358%0.582SS.*PPolyproline II helixtrans-60.7145.3174.600000110.8R307 L309 I310A305-R307 PolarHBondContact O-N 3Å; A305-L309 HydrophobicContact CB-CD2 4.49Å; A305-I310 HydrophobicContact CB-CD1 4.06Å; A305-I310 HydrophobicContact CB-CG1 3.79Å; A305-I310 WeakPolarHBondContact O-CD1 3.28Å
306N86.6Confident82.1Confident103 Ų103103 Ų10355%0.55156%0.563SS**PPolyproline II helixtrans-57.4132.7177.3-175.4-35.5000109.5N308 L309 I310N306-N308 PolarHBondContact O-N 2.88Å; N306-N308 PolarHBondContact OD1-N 3.41Å; N306-N308 PolarHBondContact OD1-ND2 2.98Å; N306-L309 HydrophobicContact CB-CB 4.38Å; N306-L309 WeakPolarHBondContact O-CA 3.48Å; N306-L309 WeakPolarHBondContact O-CB 3.47Å; N306-L309 PolarHBondContact O-N 2.87Å; N306-I310 PolarHBondContact O-N 3.03Å
307R89.7Confident83.2Confident142 Ų14296.6 Ų96.654%0.53654%0.544SS..Hα-helixtrans-50.6-34.1-179.6-180174.3171.7175.1-4.5112.9A305 I310 L311A305-R307 PolarHBondContact O-N 3Å; R307-I310 PolarHBondContact O-N 2.7Å; R307-L311 HydrophobicContact CG-CD1 3.96Å; R307-L311 HydrophobicContact CG-CG 4.34Å; R307-L311 WeakPolarHBondContact O-CB 3.5Å; R307-L311 VanDerWaalsContact O-CG 3.26Å; R307-L311 WeakPolarHBondContact O-CG 3.28Å; R307-L311 PolarHBondContact O-N 2.77Å
308N90.1Very high84.4Confident107 Ų10797.7 Ų97.757%0.57254%0.541SS*.Hα-helixtrans-69.7-34.5177.1-58.4-79000112.8N306 K312N306-N308 PolarHBondContact O-N 2.88Å; N306-N308 PolarHBondContact OD1-N 3.41Å; N306-N308 PolarHBondContact OD1-ND2 2.98Å; N308-K312 WeakPolarHBondContact O-CB 3.46Å; N308-K312 PolarHBondContact O-N 3.47Å
309L91.1Very high85.6Confident112 Ų11295.5 Ų95.559%0.58652%0.524SS*.Hα-helixtrans-70.3-40.5174.3-176.564.6000111A305 N306 K312 A313A305-L309 HydrophobicContact CB-CD2 4.49Å; N306-L309 HydrophobicContact CB-CB 4.38Å; N306-L309 WeakPolarHBondContact O-CA 3.48Å; N306-L309 WeakPolarHBondContact O-CB 3.47Å; N306-L309 PolarHBondContact O-N 2.87Å; L309-K312 PolarHBondContact O-N 3.07Å; L309-A313 WeakPolarHBondContact O-CB 3.18Å; L309-A313 PolarHBondContact O-N 3.46Å
310I90.9Very high86.6Confident81 Ų8194.1 Ų94.142%0.41552%0.523SS..Hα-helixtrans-62.7-48.9174.3-60.7172.9000110.3A305 N306 R307 K312 A313 I314A305-I310 HydrophobicContact CB-CD1 4.06Å; A305-I310 HydrophobicContact CB-CG1 3.79Å; A305-I310 WeakPolarHBondContact O-CD1 3.28Å; N306-I310 PolarHBondContact O-N 3.03Å; R307-I310 PolarHBondContact O-N 2.7Å; I310-K312 PolarHBondContact O-N 2.78Å; I310-A313 PolarHBondContact O-N 2.77Å; I310-I314 HydrophobicContact CG2-CD1 3.87Å; I310-I314 VanDerWaalsContact O-CG1 3.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.45Å; I310-I314 PolarHBondContact O-N 2.9Å
311L92.4Very high86.8Confident74 Ų7495.5 Ų95.539%0.38753%0.525SS..Hα-helixtrans-61.7-42.7178.2-73.6170.6000111.9R307 I314 S315R307-L311 HydrophobicContact CG-CD1 3.96Å; R307-L311 HydrophobicContact CG-CG 4.34Å; R307-L311 WeakPolarHBondContact O-CB 3.5Å; R307-L311 VanDerWaalsContact O-CG 3.26Å; R307-L311 WeakPolarHBondContact O-CG 3.28Å; R307-L311 PolarHBondContact O-N 2.77Å; L311-I314 PolarHBondContact O-N 2.81Å; L311-S315 PolarHBondContact O-N 2.73Å; L311-S315 PolarHBondContact O-OG 3.45Å
312K94Very high87.2Confident125 Ų12594.6 Ų94.654%0.54352%0.518SS..Hα-helixtrans-64.2-43.4175.7-172.8-179.6176.8-162.70111.9N308 L309 I310 I314 S315 E316N308-K312 WeakPolarHBondContact O-CB 3.46Å; N308-K312 PolarHBondContact O-N 3.47Å; L309-K312 PolarHBondContact O-N 3.07Å; I310-K312 PolarHBondContact O-N 2.78Å; K312-I314 VanDerWaalsContact C-N 3.27Å; K312-I314 PolarHBondContact O-N 3.06Å; K312-S315 PolarHBondContact O-N 2.8Å; K312-S315 PolarHBondContact O-OG 2.98Å; K312-E316 WeakPolarHBondContact CE-OE2 3.12Å; K312-E316 IonicContact NZ-OE2 3.4Å; K312-E316 WeakPolarHBondContact O-CB 3.34Å; K312-E316 PolarHBondContact O-N 3.12Å
313A91.9Very high87.1Confident57 Ų5797.9 Ų97.947%0.47151%0.512SS..Hα-helixtrans-62.7-34.8176.900000112.3L309 I310 A317L309-A313 WeakPolarHBondContact O-CB 3.18Å; L309-A313 PolarHBondContact O-N 3.46Å; I310-A313 PolarHBondContact O-N 2.77Å; A313-A317 VanDerWaalsContact O-CB 3.23Å; A313-A317 WeakPolarHBondContact O-CB 3.18Å; A313-A317 PolarHBondContact O-N 3.43Å
314I94.4Very high86.3Confident83 Ų8394.6 Ų94.643%0.42651%0.506SS..Hα-helixtrans-69-46.6174.6-68.6165.9000111.1I310 L311 K312 A317 Q318I310-I314 HydrophobicContact CG2-CD1 3.87Å; I310-I314 VanDerWaalsContact O-CG1 3.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.45Å; I310-I314 PolarHBondContact O-N 2.9Å; L311-I314 PolarHBondContact O-N 2.81Å; K312-I314 VanDerWaalsContact C-N 3.27Å; K312-I314 PolarHBondContact O-N 3.06Å; I314-A317 PolarHBondContact O-N 3.49Å; I314-Q318 WeakPolarHBondContact O-CB 3.43Å; I314-Q318 VanDerWaalsContact O-CG 3.29Å; I314-Q318 WeakPolarHBondContact O-CG 3.43Å; I314-Q318 PolarHBondContact O-N 3.3Å
315S93.5Very high85.2Confident50 Ų5095.7 Ų95.735%0.3552%0.519SS..Hα-helixtrans-65.3-43.7177.861.90000111.7L311 K312 A317 Q318 D319L311-S315 PolarHBondContact O-N 2.73Å; L311-S315 PolarHBondContact O-OG 3.45Å; K312-S315 PolarHBondContact O-N 2.8Å; K312-S315 PolarHBondContact O-OG 2.98Å; S315-A317 VanDerWaalsContact C-N 3.3Å; S315-A317 PolarHBondContact O-N 2.73Å; S315-Q318 CarbonylContact O-C 3.22Å; S315-Q318 PolarHBondContact O-N 3.37Å; S315-Q318 VanDerWaalsContact O-N 3.08Å; S315-D319 WeakPolarHBondContact O-CB 3.16Å; S315-D319 VanDerWaalsContact O-CG 3.25Å; S315-D319 PolarHBondContact O-N 3.33Å
316E93.1Very high83.5Confident112 Ų11297.3 Ų97.352%0.52353%0.527SS..Hα-helixtrans-64.3-34.1178.9-166.9168.9153.600111.9K312 S320K312-E316 WeakPolarHBondContact CE-OE2 3.12Å; K312-E316 IonicContact NZ-OE2 3.4Å; K312-E316 WeakPolarHBondContact O-CB 3.34Å; K312-E316 PolarHBondContact O-N 3.12Å; E316-S320 VanDerWaalsContact O-CB 3.31Å; E316-S320 WeakPolarHBondContact O-CB 3.31Å; E316-S320 PolarHBondContact O-N 3.34Å
317A89.1Confident81.4Confident51 Ų51101.7 Ų101.742%0.42154%0.537SS..Hα-helixtrans-69.5-40.9169.900000112.7A313 I314 S315 S320 I321A313-A317 VanDerWaalsContact O-CB 3.23Å; A313-A317 WeakPolarHBondContact O-CB 3.18Å; A313-A317 PolarHBondContact O-N 3.43Å; I314-A317 PolarHBondContact O-N 3.49Å; S315-A317 VanDerWaalsContact C-N 3.3Å; S315-A317 PolarHBondContact O-N 2.73Å; A317-S320 PolarHBondContact O-N 3.23Å; A317-I321 WeakPolarHBondContact O-CD1 3.22Å; A317-I321 VanDerWaalsContact O-CG1 3.28Å; A317-I321 WeakPolarHBondContact O-CG1 3.5Å; A317-I321 PolarHBondContact O-N 3.25Å
318Q89.7Confident79.3Confident117 Ų11799.6 Ų99.655%0.54754%0.542SS..Hα-helixtrans-65.4-42.5176.6-74.7172.6-23.900111.8I314 S315 S320 I321 T322I314-Q318 WeakPolarHBondContact O-CB 3.43Å; I314-Q318 VanDerWaalsContact O-CG 3.29Å; I314-Q318 WeakPolarHBondContact O-CG 3.43Å; I314-Q318 PolarHBondContact O-N 3.3Å; S315-Q318 CarbonylContact O-C 3.22Å; S315-Q318 PolarHBondContact O-N 3.37Å; S315-Q318 VanDerWaalsContact O-N 3.08Å; Q318-S320 VanDerWaalsContact C-N 3.33Å; Q318-S320 PolarHBondContact O-N 2.92Å; Q318-I321 PolarHBondContact O-N 3.27Å; Q318-T322 WeakPolarHBondContact O-CG2 3.4Å; Q318-T322 PolarHBondContact O-N 3.39Å; Q318-T322 PolarHBondContact O-OG1 2.92Å
319D88.8Confident77.1Confident101 Ų101100.6 Ų100.654%0.5455%0.554SS.*Hα-helixtrans-64.4-36174.5-67.1-28.6000111.8S315 T322 K323S315-D319 WeakPolarHBondContact O-CB 3.16Å; S315-D319 VanDerWaalsContact O-CG 3.25Å; S315-D319 PolarHBondContact O-N 3.33Å; D319-T322 WeakPolarHBondContact CA-OG1 3.5Å; D319-T322 PolarHBondContact O-OG1 3.33Å; D319-K323 WeakPolarHBondContact O-CB 3.43Å; D319-K323 PolarHBondContact O-N 3.08Å
320S87.1Confident74.8Confident71 Ų71102.2 Ų102.250%0.49756%0.562SS.*Hα-helixtrans-65.7-40.1173.5-170.70000112.2E316 A317 Q318 T324E316-S320 VanDerWaalsContact O-CB 3.31Å; E316-S320 WeakPolarHBondContact O-CB 3.31Å; E316-S320 PolarHBondContact O-N 3.34Å; A317-S320 PolarHBondContact O-N 3.23Å; Q318-S320 VanDerWaalsContact C-N 3.33Å; Q318-S320 PolarHBondContact O-N 2.92Å; S320-T324 WeakPolarHBondContact O-CB 3.35Å; S320-T324 WeakPolarHBondContact O-CG2 3.28Å; S320-T324 PolarHBondContact O-N 3.17Å; S320-T324 VanDerWaalsContact O-N 3.15Å; S320-T324 PolarHBondContact O-OG1 3.15Å
321I78.4Confident72.5Confident106 Ų106106.2 Ų106.254%0.54458%0.583SS.*Hα-helixtrans-68.4-48.2176.3-67.3161.5000110.9A317 Q318 K323 T324 T325A317-I321 WeakPolarHBondContact O-CD1 3.22Å; A317-I321 VanDerWaalsContact O-CG1 3.28Å; A317-I321 WeakPolarHBondContact O-CG1 3.5Å; A317-I321 PolarHBondContact O-N 3.25Å; Q318-I321 PolarHBondContact O-N 3.27Å; I321-K323 VanDerWaalsContact C-N 3.28Å; I321-K323 PolarHBondContact O-N 3.2Å; I321-T324 PolarHBondContact O-N 2.75Å; I321-T324 PolarHBondContact O-OG1 3.18Å; I321-T325 WeakPolarHBondContact O-CB 3.43Å; I321-T325 WeakPolarHBondContact O-CG2 3.43Å; I321-T325 PolarHBondContact O-N 3.28Å
322T77.4Confident70.1Confident88 Ų88111.8 Ų111.854%0.5461%0.607SS.*Hα-helixtrans-64-33.7179.755.30000112.3Q318 D319Q318-T322 WeakPolarHBondContact O-CG2 3.4Å; Q318-T322 PolarHBondContact O-N 3.39Å; Q318-T322 PolarHBondContact O-OG1 2.92Å; D319-T322 WeakPolarHBondContact CA-OG1 3.5Å; D319-T322 PolarHBondContact O-OG1 3.33Å
323K72.4Confident67.5Low172 Ų172117.3 Ų117.375%0.74863%0.625SS**Hα-helixtrans-78.6-14.6177-168.7171.2-177.7177.90114.6D319 I321D319-K323 WeakPolarHBondContact O-CB 3.43Å; D319-K323 PolarHBondContact O-N 3.08Å; I321-K323 VanDerWaalsContact C-N 3.28Å; I321-K323 PolarHBondContact O-N 3.2Å
324T60.6Low64.8Low93 Ų93123.3 Ų123.357%0.57164%0.643SS**Hα-helixtrans-101.8-24.1174.348.10000113S320 I321 S326S320-T324 WeakPolarHBondContact O-CB 3.35Å; S320-T324 WeakPolarHBondContact O-CG2 3.28Å; S320-T324 PolarHBondContact O-N 3.17Å; S320-T324 VanDerWaalsContact O-N 3.15Å; S320-T324 PolarHBondContact O-OG1 3.15Å; I321-T324 PolarHBondContact O-N 2.75Å; I321-T324 PolarHBondContact O-OG1 3.18Å; T324-S326 PolarHBondContact O-N 3.13Å
325T55.9Low62.2Low109 Ų109125.6 Ų125.667%0.66966%0.661SS**SBendtrans-80.920174.7-163.70000114.6I321I321-T325 WeakPolarHBondContact O-CB 3.43Å; I321-T325 WeakPolarHBondContact O-CG2 3.43Å; I321-T325 PolarHBondContact O-N 3.28Å
326S46.1Very low59.7Low90 Ų90129 Ų12963%0.62968%0.68SS**  trans-112.345.7179.572.70000112.9T324T324-S326 PolarHBondContact O-N 3.13Å
327Y41.7Very low57.3Low194 Ų194129 Ų12976%0.76169%0.689SS**  trans-90.2142.4165.3-90.9-93.9000110.4
328P46.8Very low54.8Low98 Ų98133.5 Ų133.564%0.63671%0.711SS**  trans-66.7151.4168.930.4-34.8000110.5I330P328-I330 PolarHBondContact O-N 3.2Å; P328-I330 VanDerWaalsContact O-N 3.13Å
329P43.5Very low52.3Low129 Ų129131.9 Ų131.984%0.83872%0.718SS**  trans-66.4113.6179.127.1-33.9000110.8
330I42.5Very low49.9Very low145 Ų145133 Ų13374%0.74473%0.731SS**  trans-81.7130.2174.4-63.1175.1000108.6P328 Q332P328-I330 PolarHBondContact O-N 3.2Å; P328-I330 VanDerWaalsContact O-N 3.13Å; I330-Q332 PolarHBondContact O-N 3.49Å
331L43.5Very low47.6Very low166 Ų166140.6 Ų140.687%0.86975%0.749SS**  trans-60.2118.8179-85166.4000111.6R333L331-R333 PolarHBondContact O-N 2.81Å
332Q42.3Very low45.5Very low190 Ų190142.1 Ų142.189%0.88876%0.763SS**  trans-72111178.4-174.5173.3-2.900110.1I330I330-Q332 PolarHBondContact O-N 3.49Å
333R38.2Very low43.7Very low241 Ų241149.6 Ų149.691%0.90978%0.781SS**  trans-72.7134.6174.7-86.8-171.9166.2-173.1-4.7111.2L331L331-R333 PolarHBondContact O-N 2.81Å
334Q36.3Very low42.1Very low183 Ų183149.6 Ų149.686%0.85579%0.789SS**  trans-70.1138.3-177.9-172.1175.46.500111.5
335T40Very low40.9Very low131 Ų131149.9 Ų149.980%0.80480%0.8SS**  trans-109.1148.3165-172.90000109.3
336V40.6Very low40.4Very low122 Ų122148.5 Ų148.574%0.73980%0.795SS**PPolyproline II helixtrans-99.6124.8-163.9178.80000111.3
337P42.3Very low40.7Very low112 Ų112149.5 Ų149.573%0.72780%0.802SS**PPolyproline II helixtrans-75.2139.2166.6-10.927.6000111.2
338V37.5Very low41.4Very low146 Ų146147.8 Ų147.889%0.88580%0.801SS**PPolyproline II helixtrans-82.9130.9169.9176.60000109.2
339A36.9Very low41.8Very low82 Ų82150.5 Ų150.568%0.67881%0.805SS**PPolyproline II helixtrans-102.9143.7-179.300000112.8
340P37.7Very low42Very low126 Ų126151.6 Ų151.682%0.81880%0.801SS**PPolyproline II helixtrans-71.5163.7161.932.3-33.4000111.2
341R38.9Very low42.7Very low230 Ų230149 Ų14987%0.86879%0.792SS**PPolyproline II helixtrans-96.3165-166-59.2172.885.5119.4-3.8114.1
342T35.3Very low43.4Very low138 Ų138144.1 Ų144.185%0.84778%0.776SS**  trans86.7145.5160.777.80000116.2
343R38.9Very low43.7Very low245 Ų245138.4 Ų138.493%0.92576%0.761SS**  cis-137.5164.3-1-161.6177.4178-167.4-0.5110
344L37.9Very low44.6Very low172 Ų172132.7 Ų132.790%0.90175%0.747SS**  trans-73.9143.1-174.5-62.6168.9000114
345A36.1Very low45.8Very low99 Ų99130.3 Ų130.382%0.81874%0.736SS**  trans-108175.9151.700000109.5
346S45Very low46.6Very low80 Ų80131 Ų13156%0.55973%0.734SS**  trans-71.5154.1-154.854.30000116.6E348S346-E348 VanDerWaalsContact C-N 3.32Å; S346-E348 PolarHBondContact O-N 3.03Å
347S52.3Low46.9Very low110 Ų110133.2 Ų133.277%0.76974%0.739SS**SBendtrans-88.218-173.2-170.20000114.6T351S347-T351 PolarHBondContact O-OG1 3.01Å
348E57.2Low47.7Very low158 Ų158134.7 Ų134.774%0.73874%0.736SS**SBendtrans-110.4-40.6-167.6-114.9164.1140.100113.7S346 M350 T351S346-E348 VanDerWaalsContact C-N 3.32Å; S346-E348 PolarHBondContact O-N 3.03Å; E348-M350 PolarHBondContact O-N 3.45Å; E348-T351 PolarHBondContact O-N 3.21Å
349E55.7Low48.7Very low155 Ų155134.6 Ų134.672%0.72473%0.731SS**Hα-helixtrans-71.3-34.2-175.5-60.5-177.4116.300113T351 A352 A353E349-T351 PolarHBondContact O-N 3.4Å; E349-A352 PolarHBondContact O-N 3.34Å; E349-A353 PolarHBondContact O-N 2.9Å
350M46.5Very low49.2Very low153 Ų153137.7 Ų137.775%0.75474%0.735SS**Hα-helixtrans-67.3-27.3-179.4-156.7180-58.600112.5E348E348-M350 PolarHBondContact O-N 3.45Å
351T57.4Low49.4Very low90 Ų90140 Ų14055%0.55273%0.734SS**Hα-helixtrans-74.8-37.8175.9-38.80000111.1S347 E348 E349 L354S347-T351 PolarHBondContact O-OG1 3.01Å; E348-T351 PolarHBondContact O-N 3.21Å; E349-T351 PolarHBondContact O-N 3.4Å; T351-L354 PolarHBondContact O-N 3.03Å
352A57.5Low49.3Very low64 Ų64134.3 Ų134.353%0.52973%0.73SS.*Hα-helixtrans-65.4-40.5177.300000112.6E349 L354 Q355E349-A352 PolarHBondContact O-N 3.34Å; A352-L354 VanDerWaalsContact C-N 3.3Å; A352-L354 PolarHBondContact O-N 3.32Å; A352-Q355 PolarHBondContact O-N 3.5Å
353A50Low49.3Very low70 Ų70136.4 Ų136.458%0.57974%0.735SS**Hα-helixtrans-61.4-34.4179.900000113.5E349E349-A353 PolarHBondContact O-N 2.9Å
354L56.7Low49.3Very low120 Ų120129.4 Ų129.463%0.62873%0.73SS**Hα-helixtrans-80.5-18.6-180-69.9170.3000113.8T351 A352 Q358T351-L354 PolarHBondContact O-N 3.03Å; A352-L354 VanDerWaalsContact C-N 3.3Å; A352-L354 PolarHBondContact O-N 3.32Å; L354-Q358 PolarHBondContact O-NE2 2.97Å; L354-Q358 VanDerWaalsContact O-NE2 3.07Å
355Q60.3Low49.3Very low133 Ų133127.5 Ų127.562%0.62173%0.727SS**Hα-helixtrans-79.5-36.9179.5-157.773.517.100111.9A352 M357 Q358A352-Q355 PolarHBondContact O-N 3.5Å; Q355-M357 PolarHBondContact O-N 3.11Å; Q355-Q358 PolarHBondContact O-N 3.45Å
356L57.6Low49.2Very low145 Ų145134.5 Ų134.576%0.75973%0.733SS**Hα-helixtrans-73.6-28.6-167.2-168.859.7000114.4
357M47.9Very low48.4Very low169 Ų169135 Ų13583%0.83374%0.741SS**THydrogen-bonded Turntrans-89.1-8.7178.7-72.2-163.272.500115Q355 N359Q355-M357 PolarHBondContact O-N 3.11Å; M357-N359 PolarHBondContact O-N 3.11Å
358Q58.3Low47.4Very low144 Ų144138 Ų13867%0.67374%0.743SS**SBendtrans-77-11.7175.7-67.6-175.842.500112.9L354 Q355 L360L354-Q358 PolarHBondContact O-NE2 2.97Å; L354-Q358 VanDerWaalsContact O-NE2 3.07Å; Q355-Q358 PolarHBondContact O-N 3.45Å; Q358-L360 PolarHBondContact O-N 3.2Å
359N57.7Low46.2Very low144 Ų144134.8 Ų134.877%0.7774%0.744SS**THydrogen-bonded Turntrans-96.425.5-166.3-154.128.4000115.3M357M357-N359 PolarHBondContact O-N 3.11Å
360L48.3Very low44.9Very low147 Ų147138.5 Ų138.577%0.7775%0.753SS**THydrogen-bonded Turntrans-135.5-4.9-177.5-142.474.6000116.9Q358Q358-L360 PolarHBondContact O-N 3.2Å
361H42.8Very low44Very low174 Ų174135.8 Ų135.881%0.80676%0.755SS**SBendtrans-129.238.4-176.3-65.7132.7000114
362S36.8Very low42.6Very low111 Ų111136.8 Ų136.878%0.77677%0.772SS**  trans-145.246.9175.1-74.20000114
363L34.7Very low41.1Very low181 Ų181137.4 Ų137.495%0.94879%0.785SS**  trans-134.2118.7156.8-75.7179.6000109.9
364A38Very low40.1Very low99 Ų99141.9 Ų141.982%0.81880%0.799SS**  trans-112.8141.4168.100000109.1
365P38.2Very low38.7Very low131 Ų131144.3 Ų144.385%0.85181%0.807SS**  trans-102.9137.4160.833.9-27.1000111.1
366R33.9Very low37.9Very low247 Ų247143.3 Ų143.393%0.93281%0.812SS**  trans-132.3116.4166.9176.1-176.5172.9169.8-0.3109.2
367A29.2Very low36.6Very low89 Ų89140.9 Ų140.974%0.73681%0.813SS**  trans-164.6154.6167.500000107.3
368E31.3Very low35.9Very low173 Ų173137.4 Ų137.481%0.80881%0.805SS**  cis-154.7173.5-19.4-106.1-69.997.500105.2
369A31.3Very low34.7Very low92 Ų92141 Ų14176%0.7681%0.813SS**  trans-92.1139.2-171.200000115
370Y28.7Very low33.5Very low233 Ų233139.7 Ų139.791%0.91481%0.81SS**  trans-152.5166.4154.144.8-92.4000110.7
371A27.8Very low32.8Very low96 Ų96138.1 Ų138.179%0.79381%0.807SS**  trans-132.6169-156.100000115.1
372A26.8Very low32.3Very low111 Ų111136.2 Ų136.292%0.91781%0.808SS**  trans68.4151171.100000117.2
373G27.6Very low32Very low76 Ų76142.6 Ų142.678%0.78482%0.815SS**  trans141.766.217400000117
374D27.5Very low31.7Very low164 Ų164138.9 Ų138.988%0.87780%0.804SS**  trans50.4166.3143.9-112.4-58.6000125.4
375Q27.3Very low31.4Very low171 Ų171141.8 Ų141.880%0.79981%0.805SS**  trans-98.9-172.1166.5-75.9-167.387.400109.2
376P43.1Very low31Very low112 Ų112139.8 Ų139.873%0.72780%0.799SS**  cis-138.8175.92.243.6-26.4000117.3
377A30.5Very low30.7Very low95 Ų95133.4 Ų133.479%0.78579%0.792SS**  trans67.7158.815400000117.7
378S33.1Very low30.7Very low95 Ų95139.4 Ų139.466%0.66480%0.796SS**  cis-152.5140.11.3-1520000111.5
379R34.8Very low30.4Very low220 Ų220136.7 Ų136.783%0.8379%0.786SS**  trans46135.7148.3-60.4167.673.2160.12.5118.6
380T32.4Very low30.2Very low116 Ų116140 Ų14071%0.71279%0.786SS**  cis-168.7157.344.6-26.80000113.5
381T32.4Very low30.3Very low115 Ų115136.6 Ų136.671%0.70678%0.783SS**  trans88.8114.2146.9-48.20000121
382T32.8Very low30.2Very low134 Ų134139.6 Ų139.682%0.82279%0.786SS**  trans57.285.415757.80000121.9
383R31.5Very low30.1Very low245 Ų245137 Ų13793%0.92577%0.769SS**  trans-92.9172.9130.8-126.7174.8175.8175-1.9107.3
384S27.7Very low30Very low103 Ų103138.4 Ų138.472%0.7277%0.767SS**  cis-152.2169.311.4-167.80000112
385L32.5Very low29.9Very low160 Ų160137.9 Ų137.984%0.83876%0.764SS**  trans-88.3169.4168.3-64.3168.6000112.3
386A27.9Very low29.9Very low88 Ų88133.2 Ų133.273%0.72776%0.755SS**  trans106.2118.8136.500000120.8
387S28.3Very low29.2Very low113 Ų113138.1 Ų138.179%0.7976%0.759SS**  87.3125.3128.7-69.60000123.3
388R29.6Very low29.2Very low216 Ų216139.4 Ų139.482%0.81575%0.749SS**  trans88.1120.8137.9-83.4-169143.5-150.5-6.1122
389L25.9Very low28.9Very low116 Ų116141 Ų14161%0.60775%0.746SS**  trans76.4135.6131.6-68.3174.1000121.7
390Q26.1Very low28.6Very low162 Ų162142.2 Ų142.276%0.75775%0.751SS**  trans69.7127.1147.3-72.6171.6-20.700120.5
391L31.7Very low28.4Very low160 Ų160141.4 Ų141.484%0.83874%0.739SS**  13125.2127.3-54.4165.2000114.8
392D24.2Very low28.3Very low160 Ų160145.8 Ų145.886%0.85674%0.744SS**  -164.8-163.665.9-161.3-100.1000111.2
393G25.3Very low28Very low56 Ų56142.7 Ų142.758%0.57774%0.739SS**  trans103.496.7151.600000119.9
394S25.7Very low28.1Very low106 Ų106135.9 Ų135.974%0.74173%0.734SS**  -6.6152.9122.5610000118.6
395D25.6Very low28.3Very low152 Ų152139.8 Ų139.881%0.81374%0.741SS**  cis-167.21718.9-136.6-53.2000114.7
396A28.1Very low28.6Very low74 Ų74135.8 Ų135.861%0.61273%0.731SS**  trans71.6154.513900000124.2
397R28Very low29.6Very low214 Ų214137.2 Ų137.281%0.80873%0.733SS**  trans76.2132.4163.1-59.5-174.877.6149.61.8117
398Q29Very low29.9Very low123 Ų123136.9 Ų136.958%0.57574%0.737SS**  cis-160.8162.5-6.6-135.9168.5-18.900113.9
399Q28.3Very low29.9Very low129 Ų129130.2 Ų130.260%0.60374%0.736SS**  trans40.9128.7150-85.8162.3-64.500121.3E401Q399-E401 PolarHBondContact NE2-OE2 2.86Å
400R28.7Very low30Very low245 Ų245131.4 Ų131.493%0.92575%0.752SS**  -136.2143.1124.5-173.2172.3-77.3-109.53.2109.6
401E27.4Very low30.3Very low98 Ų98131.8 Ų131.846%0.45875%0.754SS.*  trans-130.1139.5-171.4-115.3171.9112.300109.1Q399Q399-E401 PolarHBondContact NE2-OE2 2.86Å
402Y30.1Very low31.4Very low208 Ų208128.6 Ų128.682%0.81674%0.743SS**  trans57.7155.9171.8-40.7-67.4000118.3
403G27.7Very low32Very low69 Ų69129.4 Ų129.471%0.71174%0.739SS**  cis158.2123-15.300000114.6
404A33.3Very low32.4Very low101 Ų101131.5 Ų131.584%0.83575%0.745SS**  trans62.1170.1163.700000116.6
405E31.3Very low32.6Very low185 Ų185132 Ų13286%0.86475%0.748SS**  cis-13717410.2-88.4-160.5106.500110.1
406A39.5Very low33.2Very low76 Ų76131.4 Ų131.463%0.62875%0.745SS**  cis165.6-177.5-18.600000105.6
407P48.7Very low33.5Very low118 Ų118132.6 Ų132.677%0.76675%0.745SS**  cis-139.91743.743.2-24.8000118.8
408A33.3Very low34Very low106 Ų106132.2 Ų132.288%0.87674%0.743SS**  trans73.4131.6150.500000121.5
409G30.6Very low34.5Very low76 Ų76131.5 Ų131.578%0.78475%0.752SS**  trans175.81.4171.100000124.4
410C27.7Very low34.8Very low142 Ų142133.7 Ų133.796%0.95976%0.76SS**  trans73135.4172.6-70.20000122.2
411E32.5Very low35.1Very low170 Ų170129.1 Ų129.179%0.79475%0.752SS**  trans-87.7-170.6177.1-95.3-73.3107.600113.2
412P55.4Low35.3Very low93 Ų93133 Ų13360%0.60477%0.772SS**  cis-140-176.4-3.426.7-1.2000118.7
413K35.8Very low35.5Very low177 Ų177128 Ų12877%0.7777%0.767SS**  trans95.276.9144.7-84.3159.4-171.4177.50122.9
414S33.8Very low36.1Very low100 Ų100136 Ų13670%0.69978%0.776SS**  61.5139.5108.367.90000125
415S31Very low36.4Very low117 Ų117137 Ų13782%0.81878%0.775SS**  trans97.5145.2147.3-51.70000119.8
416D37.5Very low36.4Very low138 Ų138134.4 Ų134.474%0.73877%0.771SS**  cis-164.6169.5-32.4-171.933.7000111
417T34.8Very low36Very low99 Ų99137.5 Ų137.561%0.60778%0.775SS**  trans70.3113.4149.912.90000124
418R37.3Very low35Very low207 Ų207140.2 Ų140.278%0.78178%0.778SS**  85.9122126.1-107.4175.3-178.8174.6-0.2122.4
419S40.3Very low35Very low107 Ų107143.9 Ų143.975%0.74878%0.777SS**  trans-69.7158.1150.340.20000112.7
420F34.6Very low34.9Very low176 Ų176145 Ų14577%0.77278%0.778SS**  trans-154.9171.2143.6-111.3-70.8000111.7
421I35.2Very low34.8Very low149 Ų149143.6 Ų143.676%0.76477%0.77SS**  trans-109.8147.2-173-55.3163.4000108.1
422M30.8Very low34.5Very low178 Ų178140.5 Ų140.588%0.87777%0.774SS**  163.6165.9129.6-86.1-17189.100114.7
423S33.8Very low33.3Very low103 Ų103146.3 Ų146.372%0.7278%0.784SS**  trans-61.1167.5-169.4-50.40000117.6
424R40.6Very low32.8Very low238 Ų238143 Ų14390%0.89878%0.783SS**  trans-46.9150.1156.4-64172.9172.5167.5-5.6112.3
425P39.3Very low32.9Very low123 Ų123144.8 Ų144.880%0.79978%0.78SS**  trans-117.3-167.1130.636.5-31.5000112.1
426V32.4Very low33Very low130 Ų130146.5 Ų146.579%0.78878%0.775SS**  trans-131.8-179.3-169-172.40000108.2
427I31.4Very low32.7Very low140 Ų140148 Ų14872%0.71878%0.777SS**  trans108.6122.5152.1-66.4176.3000118.9
428E27.3Very low32.5Very low176 Ų176149.9 Ų149.982%0.82279%0.789SS**  trans56.1165.8148.1-72.1171.184.300125.2
429E33.1Very low32.1Very low183 Ų183148.2 Ų148.286%0.85579%0.79SS**  trans-81.2163.9-169.8-49.5176.768.400113.8
430A27.8Very low32.6Very low98 Ų98148 Ų14881%0.8179%0.786SS**  -170.4137.8114.800000114.5
431S26.9Very low33.7Very low113 Ų113145.1 Ų145.179%0.7979%0.785SS**  trans-15.8139.7158-1750000120.5
432A26.5Very low33.4Very low105 Ų105142.7 Ų142.787%0.86879%0.787SS**  trans-142.8144.4142.400000110.4
433R28.6Very low33.5Very low215 Ų215142.2 Ų142.281%0.81179%0.787SS**  trans-141.1135.1-165.6173-174.1175.5-170.80113.4
434S26.9Very low34.1Very low107 Ų107142 Ų14275%0.74878%0.783SS**  trans-150.7109.5156.3-152.70000107.3
435Q34.5Very low33.8Very low139 Ų139141.4 Ų141.465%0.6578%0.781SS**  6713883-62.8-166.978.100112.8
436Q34.5Very low33.5Very low153 Ų153141 Ų14172%0.71578%0.776SS**  cis-158.8163.826.4-154.3168.1-20.600113.8
437Q30.9Very low33.4Very low168 Ų168140.4 Ų140.479%0.78577%0.773SS**  trans75.9135.2150.1-141.2153.4-25.400119.3
438V29.3Very low33.4Very low140 Ų140142.7 Ų142.785%0.84878%0.78SS**  cis-158.6170.5-22115.30000110.4
439Q29.4Very low33.6Very low171 Ų171138.4 Ų138.480%0.79978%0.775SS**  trans-116.6-167.1-174.9-124.8-16892.300111
440P51.8Low33.6Very low104 Ų104141.5 Ų141.568%0.67578%0.779SS**  cis-134.8-135.6-6.231-3.1000113.1
441P56.3Low33.8Very low115 Ų115146.9 Ų146.975%0.74779%0.787SS**  -127.5168.6-77.735-18.6000116.4
442A28.7Very low34Very low98 Ų98144.4 Ų144.481%0.8178%0.78SS**  trans-172.3155.7136.400000113.2
443L34.4Very low34.3Very low167 Ų167146.2 Ų146.287%0.87478%0.78SS**  trans-143.6171.4179.1-87177.3000108.4
444P46.3Very low34.5Very low98 Ų98143.4 Ų143.464%0.63678%0.781SS**  cis-149.5173.827.443.9-23.8000120.2
445R34.2Very low34.8Very low227 Ų227144.8 Ų144.886%0.85779%0.785SS**  trans68.5150.3151.5-84.4177.6163.497-1.1118.3
446T31.7Very low34.8Very low113 Ų113143.2 Ų143.269%0.69379%0.789SS**  cis-150.9150.211.4-4.80000113.8
447V31.9Very low34.8Very low119 Ų119140.8 Ų140.872%0.72179%0.789SS**  trans58.2108.6151.8-175.70000120.9
448Q31.1Very low35.8Very low187 Ų187138.2 Ų138.287%0.87479%0.787SS**  29.6152.9129.7-54179.814.200122.3
449A30.6Very low36.2Very low86 Ų86140.5 Ų140.571%0.71179%0.786SS**  cis-170.3135.8-25.700000106.9
450R34Very low36.9Very low249 Ų249142.2 Ų142.294%0.9479%0.791SS**  trans-166127.5171.633.3-171.3154.7-155.5-7110.7
451E31.3Very low36.5Very low210 Ų210144 Ų14498%0.98179%0.794SS**  trans-86.5143.7173.3-63-177124.200110.1
452G31.1Very low35.6Very low62 Ų62145.1 Ų145.164%0.63980%0.798SS**  trans-166.1124.4176.100000110
453V33.5Very low36.4Very low142 Ų142146.5 Ų146.586%0.86180%0.796SS**  trans-128.487.8178.2179.20000107.9
454D31.7Very low37.1Very low157 Ų157146.6 Ų146.684%0.8480%0.797SS**  trans-89.8117.7-179.8-75.4-69.4000111.9S456D454-S456 PolarHBondContact O-N 2.98Å; D454-S456 VanDerWaalsContact O-N 3.07Å
455T34.3Very low36.7Very low136 Ų136150 Ų15083%0.83481%0.809SS**  trans-81.985.1171.936.70000111.5
456S35Very low36.6Very low105 Ų105142.6 Ų142.673%0.73480%0.804SS**  trans-12.8128.5166.7-177.30000117.4D454D454-S456 PolarHBondContact O-N 2.98Å; D454-S456 VanDerWaalsContact O-N 3.07Å
457S32.6Very low37Very low102 Ų102143.7 Ų143.771%0.71381%0.81SS**  trans-134.2115.6159.6-71.80000109.1K459S457-K459 PolarHBondContact O-N 2.91Å
458P51.9Low37.6Very low115 Ų115143.7 Ų143.775%0.74781%0.813SS**PPolyproline II helixtrans-76.4118.6-174.829.1-33.3000111.7
459K38.6Very low37.9Very low187 Ų187139.9 Ų139.981%0.81381%0.807SS**PPolyproline II helixtrans-99.6136.4161.8-64.4172-177.6171.20108S457S457-K459 PolarHBondContact O-N 2.91Å
460F43.4Very low38.9Very low207 Ų207141.3 Ų141.391%0.90881%0.809SS**PPolyproline II helixtrans-89134165.4-82.5-89.3000109.8
461I44.2Very low38.8Very low143 Ų143137.8 Ų137.873%0.73381%0.808SS**  trans-135.9135.7177.1-60.1173.3000106.4
462V37.6Very low38.7Very low138 Ų138131.3 Ų131.384%0.83680%0.798SS**  trans-130.3128.7156.7-1780000108.4
463T45.5Very low38.7Very low127 Ų127135.7 Ų135.778%0.77981%0.806SS**  trans-27.6143.5-176.1-12.50000119.5
464L49.2Very low38.5Very low168 Ų168136.6 Ų136.688%0.8881%0.805SS**  trans-88.4157.2152.5-70166.2000109.8
465D37.8Very low38.5Very low169 Ų169134.5 Ų134.590%0.90480%0.799SS**  trans-151154.6149.5-147.3-24.1000110.3
466G32.4Very low38.2Very low72 Ų72136.2 Ų136.274%0.74280%0.803SS**  trans110.579.4177.400000117.1
467V39.4Very low38Very low137 Ų137134 Ų13483%0.8380%0.797SS**  trans-91.1164.5156-116.10000108.2
468P44Very low37.7Very low119 Ų119135.9 Ų135.977%0.77380%0.798SS**  cis-139.4-174.914.643.2-23.7000117.4
469S38.9Very low36.8Very low107 Ų107137 Ų13775%0.74880%0.795SS**  trans-81.2174.4165.8-41.10000112.3
470P50.6Low36.6Very low116 Ų116135.4 Ų135.475%0.75379%0.791SS**  -150150.788.838.8-21.3000118.1
471L32.1Very low36.1Very low174 Ų174132.2 Ų132.291%0.91178%0.783SS**  trans21.3132.6136.7-51.7172000121.1
472G28.1Very low35.4Very low75 Ų75131.9 Ų131.977%0.77378%0.782SS**  trans-170.8125.9158.700000112.2
473N31.4Very low35Very low154 Ų154132.4 Ų132.482%0.82478%0.781SS**  trans-101.1150.4176.2-64.7-12.3000110
474L30.2Very low34.2Very low160 Ų160131.4 Ų131.484%0.83877%0.774SS**  163.2152.5112.8-85.1177.5000114.6
475T30.3Very low33.3Very low114 Ų114134.5 Ų134.570%0.69977%0.774SS**  trans-31.3143.4165.749.70000121.1
476D28.5Very low33.8Very low172 Ų172131.6 Ų131.692%0.9276%0.764SS**  70.4165.5129.5-149.4-91.9000119.8
477G30.6Very low33.5Very low59 Ų59135 Ų13561%0.60877%0.765SS**  trans103.976.1161.500000120.2
478D27.6Very low32.9Very low140 Ų140132.6 Ų132.675%0.74975%0.754SS**  57.8149.4117.5-143.6-171.5000125.2
479M32.8Very low32.1Very low138 Ų138135.9 Ų135.968%0.6876%0.756SS**  trans28.9141.4156.570.5-176.7161.400127.3
480E34Very low31.5Very low155 Ų155134.8 Ų134.872%0.72475%0.754SS**  99131.5128.2-103.5-170.892.800125.6
481L32.6Very low30.4Very low140 Ų140134.8 Ų134.873%0.73375%0.751SS**  trans64.4101.8142.8-119.167.6000124.1
482D30.8Very low30.1Very low136 Ų136134.9 Ų134.973%0.72775%0.747SS**  25.4130.4116.9-131.4-53.6000121.2
483D28.2Very low30.1Very low149 Ų149135.6 Ų135.680%0.79775%0.745SS**  -166.4119.5120.9-135.8-68.3000114
484V28.6Very low29.9Very low106 Ų106133.3 Ų133.364%0.64275%0.748SS**  trans33.1102.9143.4-174.10000122.3
485R29.9Very low29.7Very low233 Ų233129.1 Ų129.188%0.87974%0.744SS**  67174.6112.2-123-169.3-158.2-177.59.4120.5
486P48.9Very low29.7Very low107 Ų107132.6 Ų132.670%0.69575%0.752SS**  -125.1-171.5-99.545-30.3000115.5
487L25.5Very low29.7Very low144 Ų144128.9 Ų128.975%0.75474%0.735SS**  156.4154.7118.2-169.562.3000114.4
488S27.7Very low29.6Very low86 Ų86135.8 Ų135.860%0.60174%0.744SS**  trans90.5116.5162.2-45.10000116.4
489K27.8Very low29.8Very low189 Ų189138 Ų13882%0.82274%0.742SS**  75.4139.172.8-70167.4-171.9175.50113.2
490A25.8Very low29.4Very low84 Ų84140.6 Ų140.669%0.69475%0.752SS**  cis-166.8-156.2-7.700000109.2
491T26.6Very low29.3Very low115 Ų115138.6 Ų138.671%0.70676%0.755SS**  trans77.9108.3159.9-57.90000114.5
492E26.8Very low29.3Very low177 Ų177140.8 Ų140.883%0.82776%0.759SS**  68.5145.682.1-71.3171.7175.300113.7
493A27.9Very low29.3Very low89 Ų89141 Ų14174%0.73677%0.765SS**  cis-162.1171-5.900000110.6
494A27.2Very low29.4Very low107 Ų107138.8 Ų138.888%0.88476%0.761SS**  trans61.9155.5167.200000118
495G25.8Very low29.4Very low72 Ų72139.8 Ų139.874%0.74277%0.767SS**  cis137.297.6-8.600000113.8
496H29.8Very low29.4Very low187 Ų187134.5 Ų134.587%0.86676%0.756SS**  trans-147.4159.1157.7-155.3-93.1000111.4
497V29.1Very low28.4Very low94 Ų94137 Ų13757%0.5776%0.763SS**  trans-140.6166.7-162-1630000111
498Y29.1Very low28.7Very low204 Ų204139.4 Ų139.480%0.876%0.762SS**  trans82.3150.1160.6-65.8-52.1000118.1
499R30.2Very low28.9Very low186 Ų186141.9 Ų141.970%0.70277%0.768SS**  cis-152.1152.14.3-138.1-169.6-149.1-164.511.3113.6
500E25.4Very low28.8Very low192 Ų192141.4 Ų141.490%0.89777%0.769SS**  trans-126166.3145-74.6-159.1120.800110.6
501S31.7Very low28.9Very low113 Ų113140.4 Ų140.479%0.7977%0.767SS**  trans-100.2160.9-168.6-86.80000114.6
502K32.5Very low28.9Very low187 Ų187141.6 Ų141.681%0.81377%0.774SS**  trans-102.4140.5-161.2-48.6173-178.4-179.90114.7
503V31.1Very low29Very low141 Ų141138.9 Ų138.986%0.85577%0.769SS**  trans-148112.2140.2-153.20000104.7
504S29.5Very low29.1Very low102 Ų102140.9 Ų140.971%0.71377%0.772SS**  64.4133.364.3-149.90000111.4
505V29.3Very low29.9Very low126 Ų126141.6 Ų141.676%0.76477%0.768SS**  cis-164.2155.3-1.5110.70000106
506L29.5Very low30Very low122 Ų122142.9 Ų142.964%0.63977%0.765SS**  cis-173.4148.4-24.2161.3150.5000107R508L506-R508 HydrophobicContact CD2-CB 4.15Å
507D28.5Very low30Very low160 Ų160141.3 Ų141.386%0.85676%0.758SS**  trans-140.5157.6158.5-158.7-104.6000110.4
508R32.2Very low30Very low195 Ų195144.5 Ų144.574%0.73677%0.772SS**  trans-162.1175.2-158.9-165171179.7174.90.5111.7L506L506-R508 HydrophobicContact CD2-CB 4.15Å
509L30.2Very low30.3Very low138 Ų138136.8 Ų136.872%0.72375%0.754SS**  trans86.8142.7174.9-45.2173.6000113
510Q27Very low30.5Very low178 Ų178139.2 Ų139.283%0.83276%0.764SS**  cis-164.2162.9-20.1-121164.9-9.400109.5
511G27.5Very low30.7Very low64 Ų64139 Ų13966%0.6677%0.765SS**  trans98.7137.7179.300000113.4
512V27.4Very low30.6Very low140 Ų140141 Ų14185%0.84877%0.767SS**  cis62.9114.318-162.50000110.6
513V27.7Very low30.7Very low120 Ų120137.9 Ų137.973%0.72776%0.763SS**  -152149.452.2-140.30000114
514T31.3Very low30.8Very low130 Ų130139.2 Ų139.280%0.79877%0.765SS**  trans52154.5149.839.60000124
515P43.7Very low30.9Very low123 Ų123140.9 Ų140.980%0.79977%0.771SS**  trans-109.1160.8-175.842-33.7000115.7
516S27.9Very low31.2Very low98 Ų98139 Ų13969%0.68577%0.769SS**  trans-174.5150.3162.6-119.40000106.4
517E28.5Very low31.7Very low154 Ų154141 Ų14172%0.7278%0.78SS**  cis-161.9165.1-16.553.7-146.797.100108.8
518D29.6Very low32.1Very low162 Ų162141.1 Ų141.187%0.86678%0.776SS**  trans58.8161.2165.5-65.1-22.2000121.8
519G34.7Very low32.2Very low41 Ų41138 Ų13842%0.42377%0.774SS.*  trans126.442.114400000119.8
520R34.7Very low32.5Very low237 Ų237138.9 Ų138.989%0.89478%0.779SS**  trans58.5138.6162.874.9-99.5178.7-946.1119.3
521M29.8Very low33.1Very low187 Ų187136 Ų13692%0.92177%0.773SS**  trans-116.4128.8149.360.6-170.9176.500106.7
522D29.8Very low34Very low156 Ų156137.1 Ų137.183%0.83477%0.769SS**  trans-141.3155.3166.9-153.7158.5000107.1
523V35.2Very low34.9Very low121 Ų121139.1 Ų139.173%0.73377%0.771SS**  trans-125.993.9-158.9-171.60000110.9
524D32.1Very low35.7Very low169 Ų169142.9 Ų142.990%0.90478%0.778SS**  trans-66133164.6-91.5-57.5000110.5
525V32.9Very low36.9Very low138 Ų138146.1 Ų146.184%0.83678%0.781SS**  trans-89.7123.6178.9173.50000109.8
526A35.3Very low37.4Very low87 Ų87149 Ų14972%0.71978%0.784SS**  trans-145.6110164.200000110E528A526-E528 HydrophobicContact CB-CG 4.44Å
527D38.9Very low38.9Very low162 Ų162148.6 Ų148.687%0.86677%0.77SS**  trans-92.899.6165.2-175.9-111.7000107
528E37.8Very low40.6Very low164 Ų164144.3 Ų144.377%0.76675%0.754SS**  trans-144.6147.9-173.6-72.8-8363.900111.9A526A526-E528 HydrophobicContact CB-CG 4.44Å
529D33.5Very low42.4Very low130 Ų130144.3 Ų144.370%0.69575%0.75SS**  trans63.794.6166.3-90.1-56000120.3V531D529-V531 PolarHBondContact O-N 3.37Å; D529-V531 VanDerWaalsContact O-N 3.17Å
530D38Very low44.3Very low155 Ų155147.5 Ų147.583%0.82975%0.754SS**  trans-56.9109.7149.6-178.3-92.8000109.9P532D530-P532 WeakPolarHBondContact O-CD 3.24Å; D530-P532 VanDerWaalsContact O-N 3.14Å
531V38.4Very low46.3Very low117 Ų117137.8 Ų137.871%0.70972%0.718SS**  trans-64.8112.2-166.1178.30000112.1D529 M533D529-V531 PolarHBondContact O-N 3.37Å; D529-V531 VanDerWaalsContact O-N 3.17Å; V531-M533 PolarHBondContact O-N 3.41Å; V531-M533 VanDerWaalsContact O-N 3.07Å
532P45.8Very low48.7Very low88 Ų88129 Ų12957%0.57167%0.674SS**  trans-71113178.3-15.431000109.4D530 K534D530-P532 WeakPolarHBondContact O-CD 3.24Å; D530-P532 VanDerWaalsContact O-N 3.14Å; P532-K534 PolarHBondContact O-N 3.19Å
533M46.6Very low51Low182 Ų182129.6 Ų129.690%0.89767%0.67SS**  trans-61.995.3177.8-73.3-163.2178.300111.2V531 K535V531-M533 PolarHBondContact O-N 3.41Å; V531-M533 VanDerWaalsContact O-N 3.07Å; M533-K535 PolarHBondContact O-N 2.87Å
534K45.7Very low52.8Low199 Ų199130.8 Ų130.887%0.86567%0.665SS**  trans-59.7103-178.6-74.1168.4-176.7165.80110.1P532 Q536P532-K534 PolarHBondContact O-N 3.19Å; K534-Q536 PolarHBondContact O-N 3.17Å; K534-Q536 VanDerWaalsContact O-N 3.11Å
535K55.3Low54.8Low198 Ų198126.5 Ų126.586%0.86164%0.637SS**  trans-50.4116.6-179-68.1168.3-174.9163.60109.9M533 K537M533-K535 PolarHBondContact O-N 2.87Å; K535-K537 PolarHBondContact O-N 2.73Å
536Q55.2Low56.7Low184 Ų184124.8 Ų124.886%0.8663%0.628SS**  trans-58.1110.8-168.4-173.3175.3-11.500111.5K534 V538K534-Q536 PolarHBondContact O-N 3.17Å; K534-Q536 VanDerWaalsContact O-N 3.11Å; Q536-V538 PolarHBondContact O-N 3.22Å
537K59.2Low58.5Low90 Ų90126.8 Ų126.839%0.39163%0.631SS.*  trans-64.3123-176.4-166.2161-175.1143.50109.9K535 M539 D552 C554 V555 Y556K535-K537 PolarHBondContact O-N 2.73Å; K537-M539 PolarHBondContact O-N 3.19Å; K537-D552 PolarHBondContact NZ-O 2.91Å; K537-C554 WeakPolarHBondContact CE-O 3.32Å; K537-C554 PolarHBondContact NZ-O 3.32Å; K537-V555 WeakPolarHBondContact CG-O 3.39Å; K537-Y556 WeakPolarHBondContact CE-O 3.49Å
538V64.6Low60.5Low63 Ų63120.1 Ų120.138%0.38260%0.597SS.*EExtended strand (participates in β ladder)trans-68.5130-176.1-178.60000108.6Q536 E540 V555 Y556Q536-V538 PolarHBondContact O-N 3.22Å; V538-E540 HydrophobicContact CG1-CB 3.98Å; V538-E540 PolarHBondContact O-N 3.25Å; V538-V555 HydrophobicContact CG2-CG1 3.95Å; V538-V555 PolarHBondContact N-O 3.44Å; V538-Y556 HydrophobicContact CB-CD1 4.43Å
539M65.9Low62.5Low162 Ų162121.8 Ų121.880%0.79860%0.602SS**EExtended strand (participates in β ladder)trans-71.920.2-178.9-59.8-176.975.300113.8K537 L576K537-M539 PolarHBondContact O-N 3.19Å; M539-L576 WeakPolarHBondContact O-CD2 3.44Å
540E75.3Confident64.6Low108 Ų108119 Ų11951%0.50559%0.592SS.*EExtended strand (participates in β ladder)trans-100.4136.6173.5-174174.2-160.900109.7V538 Y556 H557V538-E540 HydrophobicContact CG1-CB 3.98Å; V538-E540 PolarHBondContact O-N 3.25Å; E540-Y556 HydrophobicContact CB-CD1 4.28Å; E540-H557 PolarHBondContact O-N 3.1Å
541R76.8Confident66.3Low33 Ų33113.2 Ų113.213%0.12557%0.569CS.*EExtended strand (participates in β ladder)trans-66.6131.7175.2175.4-177.3-75.6132.3-10.4110.1K543 H557 P559 D573 C575 L576 F577R541-K543 PolarHBondContact O-N 2.85Å; R541-H557 WeakPolarHBondContact CA-O 3.43Å; R541-P559 HydrophobicContact CG-CG 4.17Å; R541-P559 VanDerWaalsContact NE-CG 3.27Å; R541-D573 PolarHBondContact NH1-O 3.24Å; R541-C575 PolarHBondContact NH1-O 2.78Å; R541-C575 PolarHBondContact NH2-O 3.36Å; R541-L576 VanDerWaalsContact NH2-C 3.34Å; R541-L576 PolarHBondContact NH2-O 3.36Å; R541-F577 PolarHBondContact NH2-O 3.43Å
542C81.4Confident67.8Low2 Ų2113.2 Ų113.21%0.01457%0.565CS.*PPolyproline II helixtrans-56.3126.6-178.5-174.30000112.5F544 W545 C548 Y556 H557 H558C542-F544 PolarHBondContact O-N 3.31Å; C542-F544 PolarHBondContact SG-N 3.35Å; C542-W545 HydrophobicContact CB-CB 4.06Å; C542-W545 WeakPolarHBondContact O-CB 3.48Å; C542-W545 PolarHBondContact O-N 3.46Å; C542-C548 VanDerWaalsContact SG-SG 3.61Å; C542-Y556 VanDerWaalsContact CA-CB 3.49Å; C542-H557 PolarHBondContact N-O 2.79Å; C542-H558 WeakPolarHBondContact CB-CD2 3.44Å; C542-H558 WeakPolarHBondContact CB-NE2 3.3Å; C542-H558 PolarHBondContact SG-NE2 3.02Å; C542-H558 VanDerWaalsContact SG-NE2 3.41Å
543K76.9Confident69.1Low169 Ų169117.9 Ų117.974%0.73558%0.579SS**THydrogen-bonded Turntrans-63.1-24.6177.7-175170.7-178.8171.10113.7R541R541-K543 PolarHBondContact O-N 2.85Å
544F72.6Confident70.7Confident147 Ų147109.6 Ų109.665%0.64554%0.54SS*.THydrogen-bonded Turntrans-98.5-5.5-176.7-57.2-74.8000113.6C542 V547 C548C542-F544 PolarHBondContact O-N 3.31Å; C542-F544 PolarHBondContact SG-N 3.35Å; F544-V547 CarbonylContact O-C 3.56Å; F544-V547 VanDerWaalsContact O-C 3.22Å; F544-V547 WeakPolarHBondContact O-CA 3.26Å; F544-V547 PolarHBondContact O-N 3.06Å; F544-C548 HydrophobicContact CB-CB 4.15Å; F544-C548 PolarHBondContact O-N 3.48Å
545W74.9Confident72.4Confident79 Ų79104 Ų10430%0.29952%0.522SS..THydrogen-bonded Turntrans-66137.3174.2-17992.9000110.8C542 H558 P559 V578C542-W545 HydrophobicContact CB-CB 4.06Å; C542-W545 WeakPolarHBondContact O-CB 3.48Å; C542-W545 PolarHBondContact O-N 3.46Å; W545-H558 AromaticContact CD1-CD2 3.44Å; W545-H558 VanDerWaalsContact CD1-CD2 3.44Å; W545-H558 AromaticContact CD1-CG 3.61Å; W545-H558 AromaticContact CG-CD2 3.88Å; W545-P559 WeakPolarHBondContact CZ2-O 3.46Å; W545-V578 HydrophobicContact CH2-CG2 4.41Å
546P73.4Confident73.5Confident102 Ų10299.4 Ų99.466%0.66250%0.5SS*.THydrogen-bonded Turncis-85.2-10.19.833.9-37000115.5C548P546-C548 PolarHBondContact O-N 2.9Å; P546-C548 VanDerWaalsContact O-N 3.08Å
547V72.2Confident74.7Confident129 Ų12992.9 Ų92.978%0.78247%0.469SS*.SBendtrans-86.534.2-173.9-155.10000112.3F544 K549F544-V547 CarbonylContact O-C 3.56Å; F544-V547 VanDerWaalsContact O-C 3.22Å; F544-V547 WeakPolarHBondContact O-CA 3.26Å; F544-V547 PolarHBondContact O-N 3.06Å; V547-K549 PolarHBondContact O-N 3.38Å
548C82.1Confident75.8Confident21 Ų2189.4 Ų89.414%0.14245%0.454CS..  trans-88.5111.6-175.4-172.40000111.1C542 F544 P546 S550 G551 C554 H558C542-C548 VanDerWaalsContact SG-SG 3.61Å; F544-C548 HydrophobicContact CB-CB 4.15Å; F544-C548 PolarHBondContact O-N 3.48Å; P546-C548 PolarHBondContact O-N 2.9Å; P546-C548 VanDerWaalsContact O-N 3.08Å; C548-S550 PolarHBondContact O-N 3.32Å; C548-G551 PolarHBondContact O-N 2.98Å; C548-C554 VanDerWaalsContact SG-SG 3.68Å; C548-H558 VanDerWaalsContact CB-CE1 3.43Å; C548-H558 WeakPolarHBondContact CB-CE1 3.46Å; C548-H558 VanDerWaalsContact CB-NE2 3.34Å; C548-H558 WeakPolarHBondContact CB-NE2 3.23Å
549K78.2Confident76.4Confident200 Ų20086.5 Ų86.587%0.8744%0.437SS*.THydrogen-bonded Turntrans-57.7-20.8179.9-66.1-165.8172.5-1610115V547 G551V547-K549 PolarHBondContact O-N 3.38Å; K549-G551 VanDerWaalsContact C-N 3.28Å; K549-G551 PolarHBondContact O-N 3.31Å
550S77.4Confident76.8Confident71 Ų7184.8 Ų84.850%0.49744%0.436SS..THydrogen-bonded Turntrans-79.7-1.9-178.2-53.10000114.6C548 E553 C554C548-S550 PolarHBondContact O-N 3.32Å; S550-E553 CarbonylContact O-C 3.27Å; S550-E553 PolarHBondContact O-N 3Å; S550-C554 PolarHBondContact O-N 3.37Å
551G74.9Confident77.1Confident34 Ų3481.7 Ų81.735%0.35143%0.429SS..G310 helixtrans52.6-146.5178.800000112.8C548 K549 E553 C554 H558C548-G551 PolarHBondContact O-N 2.98Å; K549-G551 VanDerWaalsContact C-N 3.28Å; K549-G551 PolarHBondContact O-N 3.31Å; G551-E553 PolarHBondContact O-N 2.84Å; G551-C554 WeakPolarHBondContact O-CB 3.12Å; G551-C554 PolarHBondContact O-N 3.42Å; G551-H558 PolarHBondContact O-CE1 3.24Å; G551-H558 PolarHBondContact O-ND1 2.95Å
552D68.6Low77.3Confident117 Ų11787.7 Ų87.763%0.62646%0.458SS*.G310 helixtrans-72.8-15.8178.1-66.8-64.4000114.1K537 C554K537-D552 PolarHBondContact NZ-O 2.91Å; D552-C554 PolarHBondContact O-N 3.31Å
553E74.6Confident77.4Confident185 Ų18588.1 Ų88.186%0.86446%0.461SS*.G310 helixtrans-750.6170.3-168.5162.7-156.400113S550 G551 V555S550-E553 CarbonylContact O-C 3.27Å; S550-E553 PolarHBondContact O-N 3Å; G551-E553 PolarHBondContact O-N 2.84Å; E553-V555 PolarHBondContact O-N 3.03Å
554C79.6Confident77.5Confident9 Ų989.9 Ų89.96%0.06147%0.469CS..  trans-58.2133.4170.5-161.50000111.8K537 C548 S550 G551 D552 Y556 H558K537-C554 WeakPolarHBondContact CE-O 3.32Å; K537-C554 PolarHBondContact NZ-O 3.32Å; C548-C554 VanDerWaalsContact SG-SG 3.68Å; S550-C554 PolarHBondContact O-N 3.37Å; G551-C554 WeakPolarHBondContact O-CB 3.12Å; G551-C554 PolarHBondContact O-N 3.42Å; D552-C554 PolarHBondContact O-N 3.31Å; C554-Y556 PolarHBondContact O-N 3.04Å; C554-Y556 VanDerWaalsContact O-N 3.12Å; C554-H558 WeakPolarHBondContact CB-CE1 3.43Å
555V81.9Confident77.8Confident82 Ų8287.1 Ų87.150%0.49746%0.464SS..SBendtrans-59.7-19.2173.7178.30000112.4K537 V538 E553K537-V555 WeakPolarHBondContact CG-O 3.39Å; V538-V555 HydrophobicContact CG2-CG1 3.95Å; V538-V555 PolarHBondContact N-O 3.44Å; E553-V555 PolarHBondContact O-N 3.03Å
556Y77.5Confident77.9Confident101 Ų10186.7 Ų86.740%0.39646%0.464SS..EExtended strand (participates in β ladder)trans-104.4155.4177.7-60.7-90.5000111.3K537 V538 E540 C542 C554 H558K537-Y556 WeakPolarHBondContact CE-O 3.49Å; V538-Y556 HydrophobicContact CB-CD1 4.43Å; E540-Y556 HydrophobicContact CB-CD1 4.28Å; C542-Y556 VanDerWaalsContact CA-CB 3.49Å; C554-Y556 PolarHBondContact O-N 3.04Å; C554-Y556 VanDerWaalsContact O-N 3.12Å; Y556-H558 PolarHBondContact O-N 3.08Å
557H81.3Confident78.3Confident47 Ų4785.5 Ų85.522%0.21846%0.456CS..EExtended strand (participates in β ladder)trans-73.4129.9-175.6-177.176.5000113.1E540 R541 C542 L576E540-H557 PolarHBondContact O-N 3.1Å; R541-H557 WeakPolarHBondContact CA-O 3.43Å; C542-H557 PolarHBondContact N-O 2.79Å; H557-L576 HydrophobicContact CB-CD2 4.34Å
558H80.8Confident78.4Confident17 Ų1786.2 Ų86.28%0.07946%0.456CS..  trans-105.5114170.7-72.5166.2000110C542 W545 C548 G551 C554 Y556 T560C542-H558 WeakPolarHBondContact CB-CD2 3.44Å; C542-H558 WeakPolarHBondContact CB-NE2 3.3Å; C542-H558 PolarHBondContact SG-NE2 3.02Å; C542-H558 VanDerWaalsContact SG-NE2 3.41Å; W545-H558 AromaticContact CD1-CD2 3.44Å; W545-H558 VanDerWaalsContact CD1-CD2 3.44Å; W545-H558 AromaticContact CD1-CG 3.61Å; W545-H558 AromaticContact CG-CD2 3.88Å; C548-H558 VanDerWaalsContact CB-CE1 3.43Å; C548-H558 WeakPolarHBondContact CB-CE1 3.46Å; C548-H558 VanDerWaalsContact CB-NE2 3.34Å; C548-H558 WeakPolarHBondContact CB-NE2 3.23Å; G551-H558 PolarHBondContact O-CE1 3.24Å; G551-H558 PolarHBondContact O-ND1 2.95Å; C554-H558 WeakPolarHBondContact CB-CE1 3.43Å; Y556-H558 PolarHBondContact O-N 3.08Å; H558-T560 PolarHBondContact O-N 3.48Å
559P78.3Confident78.2Confident2 Ų285.6 Ų85.61%0.01345%0.451CS..  trans-89108.2179.77.110.5000111R541 W545 L576 V578R541-P559 HydrophobicContact CG-CG 4.17Å; R541-P559 VanDerWaalsContact NE-CG 3.27Å; W545-P559 WeakPolarHBondContact CZ2-O 3.46Å; P559-L576 WeakPolarHBondContact CB-O 3.34Å; P559-L576 WeakPolarHBondContact CG-O 3.42Å; P559-V578 HydrophobicContact CB-CG2 3.89Å
560T74.4Confident78.1Confident126 Ų12684.4 Ų84.477%0.77345%0.446SS*.  trans-87.4-27.2168.749.50000112.2H558H558-T560 PolarHBondContact O-N 3.48Å
561A81.1Confident77.9Confident43 Ų4386.8 Ų86.836%0.35545%0.448SS..SBendtrans-96.2140.5-177.800000114.1F577 V578A561-F577 HydrophobicContact CB-CD1 4.03Å; A561-F577 HydrophobicContact CB-CE1 4.38Å; A561-V578 PolarHBondContact O-N 3.35Å
562Q81.6Confident77.9Confident159 Ų15985.4 Ų85.474%0.74343%0.434SS*.BIsolated β-bridgetrans-69.2150.9166.866.7-179.44.100112K564 V578Q562-K564 PolarHBondContact O-N 3.02Å; Q562-V578 WeakPolarHBondContact CA-O 3.24Å
563C82.3Confident78Confident11 Ų1181.5 Ų81.57%0.07441%0.413CS..  trans-72.5112.2-178.5-174.90000111.9T565 F566 F577 V578 H579C563-T565 PolarHBondContact O-N 3.21Å; C563-T565 VanDerWaalsContact O-N 3.11Å; C563-T565 PolarHBondContact SG-N 2.9Å; C563-F566 HydrophobicContact CB-CB 4.33Å; C563-F566 WeakPolarHBondContact O-CB 3.32Å; C563-F566 PolarHBondContact O-N 2.92Å; C563-F566 VanDerWaalsContact O-N 3.09Å; C563-F577 HydrophobicContact CB-CB 3.72Å; C563-V578 PolarHBondContact N-O 3.16Å; C563-H579 WeakPolarHBondContact CB-CD2 3.28Å; C563-H579 WeakPolarHBondContact CB-NE2 3.5Å
564K79.8Confident78Confident206 Ų20681.5 Ų81.590%0.89641%0.41SS*.THydrogen-bonded Turntrans-60.8-16.7174.9-58.4-175.7-179.2-176.70113.9Q562Q562-K564 PolarHBondContact O-N 3.02Å
565T79.5Confident78.1Confident88 Ų8881.3 Ų81.354%0.5441%0.409SS..THydrogen-bonded Turntrans-98.81.3179.6-35.50000112.8C563 N568 C569C563-T565 PolarHBondContact O-N 3.21Å; C563-T565 VanDerWaalsContact O-N 3.11Å; C563-T565 PolarHBondContact SG-N 2.9Å; T565-N568 CarbonylContact O-C 3.59Å; T565-N568 VanDerWaalsContact O-C 3.27Å; T565-N568 PolarHBondContact O-N 3.35Å; T565-C569 PolarHBondContact O-N 3.33Å
566F77.4Confident77.9Confident71 Ų7180 Ų8031%0.31140%0.399SS..  trans-68136.1170.6-176.7-90.3000109.7C563 H579 P580 P594 F595C563-F566 HydrophobicContact CB-CB 4.33Å; C563-F566 WeakPolarHBondContact O-CB 3.32Å; C563-F566 PolarHBondContact O-N 2.92Å; C563-F566 VanDerWaalsContact O-N 3.09Å; F566-H579 HydrophobicContact CD2-CB 4.26Å; F566-P580 HydrophobicContact CD2-CG 4.28Å; F566-P580 HydrophobicContact CE1-CG 3.94Å; F566-P580 HydrophobicContact CE2-CG 3.6Å; F566-P580 HydrophobicContact CZ-CG 3.41Å; F566-P580 VanDerWaalsContact CZ-CG 3.41Å; F566-P594 WeakPolarHBondContact CE2-O 3.35Å; F566-F595 HydrophobicContact CE2-CD1 4.32Å; F566-F595 HydrophobicContact CE2-CE1 4.19Å; F566-F595 HydrophobicContact CE2-CZ 4.37Å; F566-F595 HydrophobicContact CZ-CD1 4.34Å; F566-F595 AromaticContact CZ-CE1 3.78Å; F566-F595 HydrophobicContact CZ-CE1 3.78Å; F566-F595 AromaticContact CZ-CZ 3.95Å; F566-F595 HydrophobicContact CZ-CZ 3.95Å
567P79.9Confident78.1Confident77 Ų7779.9 Ų79.950%0.540%0.4SS..SBendcis-86.3-1510.233.9-36.4000115.7C569 P594P567-C569 PolarHBondContact O-N 3.39Å; P567-P594 WeakPolarHBondContact O-CB 3.43Å
568N74.2Confident78.2Confident144 Ų14480.1 Ų80.177%0.7741%0.405SS*.SBendtrans-83.928.2-172-65.2-11.6000114T565 K570T565-N568 CarbonylContact O-C 3.59Å; T565-N568 VanDerWaalsContact O-C 3.27Å; T565-N568 PolarHBondContact O-N 3.35Å; N568-K570 PolarHBondContact O-N 2.94Å; N568-K570 VanDerWaalsContact O-N 3.16Å
569C78.9Confident78.2Confident7 Ų779.4 Ų79.45%0.04740%0.402CS..  trans-79.3104-172.7-177.70000112T565 P567 F571 G572 C575 H579T565-C569 PolarHBondContact O-N 3.33Å; P567-C569 PolarHBondContact O-N 3.39Å; C569-F571 PolarHBondContact O-N 3.16Å; C569-G572 PolarHBondContact O-N 3.07Å; C569-G572 VanDerWaalsContact O-N 3.15Å; C569-C575 VanDerWaalsContact SG-SG 3.65Å; C569-H579 VanDerWaalsContact CB-CE1 3.43Å; C569-H579 WeakPolarHBondContact CB-CE1 3.16Å; C569-H579 PolarHBondContact SG-CE1 2.93Å; C569-H579 PolarHBondContact SG-NE2 3.02Å; C569-H579 VanDerWaalsContact SG-NE2 3.37Å
570K75.9Confident78.5Confident175 Ų17582.3 Ų82.376%0.76142%0.421SS*.THydrogen-bonded Turntrans-56.1-8.8179.270-179.4-178.3-1790116.6N568N568-K570 PolarHBondContact O-N 2.94Å; N568-K570 VanDerWaalsContact O-N 3.16Å
571F72.6Confident78.9Confident121 Ų12181.5 Ų81.553%0.53141%0.412SS..THydrogen-bonded Turntrans-98.5-12.8-178.8-59.3-71.9000114C569 D573 K574 C575C569-F571 PolarHBondContact O-N 3.16Å; F571-D573 PolarHBondContact O-N 3.05Å; F571-K574 CarbonylContact O-C 3.5Å; F571-K574 WeakPolarHBondContact O-CA 3.47Å; F571-K574 WeakPolarHBondContact O-CB 3.07Å; F571-K574 PolarHBondContact O-N 3.15Å; F571-C575 HydrophobicContact CB-CB 3.72Å; F571-C575 PolarHBondContact O-N 2.76Å
572G75.4Confident79.1Confident5 Ų580 Ų805%0.05240%0.398CS..G310 helixtrans46.8-127.5176.300000113.9C569 K574 C575 H579 C593C569-G572 PolarHBondContact O-N 3.07Å; C569-G572 VanDerWaalsContact O-N 3.15Å; G572-K574 PolarHBondContact O-N 3.09Å; G572-C575 VanDerWaalsContact O-CB 3.26Å; G572-C575 WeakPolarHBondContact O-CB 3.45Å; G572-C575 PolarHBondContact O-N 2.96Å; G572-C575 VanDerWaalsContact O-N 3.16Å; G572-H579 PolarHBondContact O-CE1 3.16Å; G572-C593 WeakPolarHBondContact CA-O 3.45Å
573D71.6Confident79.2Confident36 Ų3680.8 Ų80.819%0.19340%0.399CS..G310 helixtrans-54-34.7175-79.8-25.8000114.9R541 F571 C575 T596 H597 R600R541-D573 PolarHBondContact NH1-O 3.24Å; F571-D573 PolarHBondContact O-N 3.05Å; D573-C575 VanDerWaalsContact C-N 3.3Å; D573-T596 WeakPolarHBondContact OD1-CA 3.44Å; D573-H597 VanDerWaalsContact CG-ND1 3.26Å; D573-H597 WeakPolarHBondContact OD1-CB 3.29Å; D573-H597 IonicContact OD1-CE1 3.37Å; D573-H597 IonicContact OD1-CG 3.7Å; D573-H597 PolarHBondContact OD1-N 3.46Å; D573-H597 IonicContact OD1-ND1 3.07Å; D573-H597 PolarHBondContact OD1-ND1 3.36Å; D573-H597 IonicContact OD2-CG 3.9Å; D573-H597 IonicContact OD2-ND1 2.72Å; D573-H597 PolarHBondContact OD2-ND1 3.42Å; D573-H597 VanDerWaalsContact OD2-ND1 3.07Å; D573-R600 VanDerWaalsContact OD2-CD 3.29Å; D573-R600 WeakPolarHBondContact OD2-CD 3.38Å
574K72.9Confident79.3Confident184 Ų18486.6 Ų86.680%0.842%0.421SS*.G310 helixtrans-83.4-7-175.7-51.7-180-167.2-67.90112.5F571 G572 L576F571-K574 CarbonylContact O-C 3.5Å; F571-K574 WeakPolarHBondContact O-CA 3.47Å; F571-K574 WeakPolarHBondContact O-CB 3.07Å; F571-K574 PolarHBondContact O-N 3.15Å; G572-K574 PolarHBondContact O-N 3.09Å; K574-L576 PolarHBondContact O-N 2.75Å
575C82.1Confident79.4Confident6 Ų678.7 Ų78.74%0.04139%0.388CS..  trans-57.2134.4174.4-171.20000109.9R541 C569 F571 G572 D573 F577 H579R541-C575 PolarHBondContact NH1-O 2.78Å; R541-C575 PolarHBondContact NH2-O 3.36Å; C569-C575 VanDerWaalsContact SG-SG 3.65Å; F571-C575 HydrophobicContact CB-CB 3.72Å; F571-C575 PolarHBondContact O-N 2.76Å; G572-C575 VanDerWaalsContact O-CB 3.26Å; G572-C575 WeakPolarHBondContact O-CB 3.45Å; G572-C575 PolarHBondContact O-N 2.96Å; G572-C575 VanDerWaalsContact O-N 3.16Å; D573-C575 VanDerWaalsContact C-N 3.3Å; C575-F577 VanDerWaalsContact C-N 3.33Å; C575-F577 PolarHBondContact O-N 3.49Å; C575-H579 WeakPolarHBondContact CB-NE2 3.35Å; C575-H579 PolarHBondContact SG-NE2 2.74Å
576L79.3Confident79.5Confident54 Ų5478 Ų7828%0.28339%0.392SS..SBendtrans-62-42.6176.6-64.9177.6000110.8M539 R541 H557 P559 K574M539-L576 WeakPolarHBondContact O-CD2 3.44Å; R541-L576 VanDerWaalsContact NH2-C 3.34Å; R541-L576 PolarHBondContact NH2-O 3.36Å; H557-L576 HydrophobicContact CB-CD2 4.34Å; P559-L576 WeakPolarHBondContact CB-O 3.34Å; P559-L576 WeakPolarHBondContact CG-O 3.42Å; K574-L576 PolarHBondContact O-N 2.75Å
577F81.6Confident79.5Confident98 Ų9884.7 Ų84.743%0.4342%0.415SS..SBendtrans-73.8159-179.5-57.3-73.9000114.3R541 A561 C563 C575R541-F577 PolarHBondContact NH2-O 3.43Å; A561-F577 HydrophobicContact CB-CD1 4.03Å; A561-F577 HydrophobicContact CB-CE1 4.38Å; C563-F577 HydrophobicContact CB-CB 3.72Å; C575-F577 VanDerWaalsContact C-N 3.33Å; C575-F577 PolarHBondContact O-N 3.49Å
578V82.3Confident79.7Confident53 Ų5381.5 Ų81.532%0.32139%0.394SS..BIsolated β-bridgetrans-71.5129.6-179.8-1710000111W545 P559 A561 Q562 C563W545-V578 HydrophobicContact CH2-CG2 4.41Å; P559-V578 HydrophobicContact CB-CG2 3.89Å; A561-V578 PolarHBondContact O-N 3.35Å; Q562-V578 WeakPolarHBondContact CA-O 3.24Å; C563-V578 PolarHBondContact N-O 3.16Å
579H81.5Confident80.2Confident1 Ų180.9 Ų80.91%0.00540%0.396CS..  trans-114.5150.8163.6-56.4-168.9000109C563 F566 C569 G572 C575 P594 T596C563-H579 WeakPolarHBondContact CB-CD2 3.28Å; C563-H579 WeakPolarHBondContact CB-NE2 3.5Å; F566-H579 HydrophobicContact CD2-CB 4.26Å; C569-H579 VanDerWaalsContact CB-CE1 3.43Å; C569-H579 WeakPolarHBondContact CB-CE1 3.16Å; C569-H579 PolarHBondContact SG-CE1 2.93Å; C569-H579 PolarHBondContact SG-NE2 3.02Å; C569-H579 VanDerWaalsContact SG-NE2 3.37Å; G572-H579 PolarHBondContact O-CE1 3.16Å; C575-H579 WeakPolarHBondContact CB-NE2 3.35Å; C575-H579 PolarHBondContact SG-NE2 2.74Å; H579-P594 PolarHBondContact ND1-O 2.81Å; H579-T596 HydrophobicContact CB-CG2 3.92Å; H579-T596 PolarHBondContact O-OG1 3.26Å
580P83.3Confident80.2Confident63 Ų6387.4 Ų87.441%0.40942%0.424SS..PPolyproline II helixtrans-55.7151172.224-34.7000112.3F566 F595 T596F566-P580 HydrophobicContact CD2-CG 4.28Å; F566-P580 HydrophobicContact CE1-CG 3.94Å; F566-P580 HydrophobicContact CE2-CG 3.6Å; F566-P580 HydrophobicContact CZ-CG 3.41Å; F566-P580 VanDerWaalsContact CZ-CG 3.41Å; P580-F595 HydrophobicContact CB-CD1 4.25Å; P580-F595 HydrophobicContact CG-CD1 3.88Å; P580-F595 HydrophobicContact CG-CE1 4.01Å; P580-F595 CarbonylContact O-C 3.41Å; P580-F595 VanDerWaalsContact O-CA 3.3Å; P580-F595 WeakPolarHBondContact O-CA 3.35Å; P580-F595 WeakPolarHBondContact O-CB 3.39Å; P580-T596 PolarHBondContact O-N 3.32Å; P580-T596 PolarHBondContact O-OG1 3.27Å
581N83Confident80.1Confident109 Ų10983.5 Ų83.558%0.58342%0.416SS*.BIsolated β-bridgetrans-70.2145.3-174-60.4103.7000113K583 T596N581-K583 PolarHBondContact O-N 3.01Å; N581-T596 CarbonylContact C-O 3.58Å; N581-T596 WeakPolarHBondContact CA-O 3.4Å; N581-T596 PolarHBondContact ND2-OG1 3.43Å
582C86.6Confident80.1Confident11 Ų1184.2 Ų84.27%0.07443%0.425CS..PPolyproline II helixtrans-72.8121.8176.6-177.90000110.9Y584 D585 F595 T596 H597C582-Y584 PolarHBondContact O-N 3.1Å; C582-Y584 PolarHBondContact SG-N 3.21Å; C582-D585 PolarHBondContact O-N 3.11Å; C582-F595 HydrophobicContact CB-CB 3.7Å; C582-T596 PolarHBondContact N-O 3.48Å; C582-H597 WeakPolarHBondContact CB-CE1 3.39Å; C582-H597 VanDerWaalsContact CB-NE2 3.32Å; C582-H597 WeakPolarHBondContact CB-NE2 3.43Å; C582-H597 PolarHBondContact SG-NE2 3.22Å
583K83.4Confident80.4Confident177 Ų17784.4 Ų84.477%0.7743%0.426SS*.THydrogen-bonded Turntrans-58.8-8.6176.672.6-174.8-177.2-176.30115.4N581N581-K583 PolarHBondContact O-N 3.01Å
584Y83.4Confident80.8Confident132 Ų13284.8 Ų84.852%0.51843%0.43SS..THydrogen-bonded Turntrans-111.7-16.9175.6-58.8-62.2000114C582 A586 R587C582-Y584 PolarHBondContact O-N 3.1Å; C582-Y584 PolarHBondContact SG-N 3.21Å; Y584-A586 PolarHBondContact O-N 3.23Å; Y584-R587 WeakPolarHBondContact O-CA 3.37Å; Y584-R587 WeakPolarHBondContact O-CB 3.37Å; Y584-R587 PolarHBondContact O-N 3.5Å
585D82Confident81.2Confident41 Ų4180 Ų8022%0.21941%0.41CS..G310 helixtrans26.1-110.5-172-163.2-6000114C582 R587 C588 H597 V598 S599C582-D585 PolarHBondContact O-N 3.11Å; D585-R587 PolarHBondContact O-N 3.32Å; D585-C588 VanDerWaalsContact O-CB 3.26Å; D585-C588 WeakPolarHBondContact O-CB 3.37Å; D585-C588 PolarHBondContact O-N 3.23Å; D585-H597 PolarHBondContact O-CD2 2.97Å; D585-H597 WeakPolarHBondContact OD1-CA 3.26Å; D585-H597 WeakPolarHBondContact OD1-CB 3.3Å; D585-H597 IonicContact OD1-CD2 3.56Å; D585-H597 IonicContact OD1-CG 3.13Å; D585-V598 PolarHBondContact OD1-N 2.83Å; D585-V598 VanDerWaalsContact OD1-N 3.11Å; D585-V598 WeakPolarHBondContact OD2-CB 3.48Å; D585-V598 PolarHBondContact OD2-N 3.42Å; D585-V598 VanDerWaalsContact OD2-N 3.1Å; D585-S599 WeakPolarHBondContact OD1-CB 3.39Å; D585-S599 PolarHBondContact OD1-N 2.97Å; D585-S599 PolarHBondContact OD2-N 3.48Å
586A81.1Confident81.1Confident74 Ų7480 Ų8061%0.61241%0.41SS*.G310 helixtrans-54.9-15.7-178.600000115.7Y584 S599Y584-A586 PolarHBondContact O-N 3.23Å; A586-S599 WeakPolarHBondContact CB-OG 3.49Å
587R78.6Confident81.2Confident210 Ų21077.6 Ų77.679%0.79240%0.397SS*.G310 helixtrans-103.64.5177.7-59.2-179.263.6-133.9-4.5113.6Y584 D585 T589Y584-R587 WeakPolarHBondContact O-CA 3.37Å; Y584-R587 WeakPolarHBondContact O-CB 3.37Å; Y584-R587 PolarHBondContact O-N 3.5Å; D585-R587 PolarHBondContact O-N 3.32Å; R587-T589 PolarHBondContact O-N 3.07Å
588C84.1Confident80.8Confident10 Ų1077 Ų777%0.06840%0.401CS..  trans-74.8117.3176.9-172.40000111.1D585 H597 R600D585-C588 VanDerWaalsContact O-CB 3.26Å; D585-C588 WeakPolarHBondContact O-CB 3.37Å; D585-C588 PolarHBondContact O-N 3.23Å; C588-H597 WeakPolarHBondContact CB-NE2 3.4Å; C588-H597 PolarHBondContact SG-NE2 3.02Å; C588-H597 VanDerWaalsContact SG-NE2 3.38Å; C588-R600 PolarHBondContact O-NH2 2.89Å
589T83.8Confident80Confident132 Ų13277.8 Ų77.881%0.8141%0.409SS*.  trans-86.1-13.5178.150.50000113.9R587 P591R587-T589 PolarHBondContact O-N 3.07Å; T589-P591 WeakPolarHBondContact O-CD 3.29Å
590K78.9Confident79.2Confident144 Ų14483.1 Ų83.163%0.62643%0.429SS*.  trans-76.6121.4176.4-66.1-164.9174.5-164.20110C593K590-C593 HydrophobicContact CB-CB 4.21Å
591P73.9Confident78.2Confident93 Ų9385.2 Ų85.260%0.60443%0.429SS*.THydrogen-bonded Turntrans-67-50.117724.4-30000111.1T589 C593T589-P591 WeakPolarHBondContact O-CD 3.29Å; P591-C593 VanDerWaalsContact C-N 3.26Å; P591-C593 PolarHBondContact O-N 3.33Å; P591-C593 VanDerWaalsContact O-N 3.14Å
592D73.1Confident76.8Confident135 Ų13582.7 Ų82.772%0.72243%0.429SS*.THydrogen-bonded Turntrans-91.953.5-179.2-49.7-72000111.2P594D592-P594 WeakPolarHBondContact O-CD 3.35Å
593C81Confident74.6Confident10 Ų1088.1 Ų88.17%0.06846%0.461CS..  trans-74.4128177.5-168.30000110.4G572 K590 P591 F595G572-C593 WeakPolarHBondContact CA-O 3.45Å; K590-C593 HydrophobicContact CB-CB 4.21Å; P591-C593 VanDerWaalsContact C-N 3.26Å; P591-C593 PolarHBondContact O-N 3.33Å; P591-C593 VanDerWaalsContact O-N 3.14Å; C593-F595 PolarHBondContact O-N 3.17Å
594P80.5Confident72.6Confident44 Ų4485.3 Ų85.329%0.28646%0.459SS..SBendtrans-69.7-0.7179-22.834.9000115.7F566 P567 H579 D592F566-P594 WeakPolarHBondContact CE2-O 3.35Å; P567-P594 WeakPolarHBondContact O-CB 3.43Å; H579-P594 PolarHBondContact ND1-O 2.81Å; D592-P594 WeakPolarHBondContact O-CD 3.35Å
595F80.9Confident70.7Confident84 Ų8483.1 Ų83.137%0.36847%0.468SS..SBendtrans-111.1144.1-177.2-65.6-97.6000110.3F566 P580 C582 C593 H597F566-F595 HydrophobicContact CE2-CD1 4.32Å; F566-F595 HydrophobicContact CE2-CE1 4.19Å; F566-F595 HydrophobicContact CE2-CZ 4.37Å; F566-F595 HydrophobicContact CZ-CD1 4.34Å; F566-F595 AromaticContact CZ-CE1 3.78Å; F566-F595 HydrophobicContact CZ-CE1 3.78Å; F566-F595 AromaticContact CZ-CZ 3.95Å; F566-F595 HydrophobicContact CZ-CZ 3.95Å; P580-F595 HydrophobicContact CB-CD1 4.25Å; P580-F595 HydrophobicContact CG-CD1 3.88Å; P580-F595 HydrophobicContact CG-CE1 4.01Å; P580-F595 CarbonylContact O-C 3.41Å; P580-F595 VanDerWaalsContact O-CA 3.3Å; P580-F595 WeakPolarHBondContact O-CA 3.35Å; P580-F595 WeakPolarHBondContact O-CB 3.39Å; C582-F595 HydrophobicContact CB-CB 3.7Å; C593-F595 PolarHBondContact O-N 3.17Å; F595-H597 PolarHBondContact O-CE1 2.9Å; F595-H597 PolarHBondContact O-ND1 3.34Å
596T81.7Confident68.9Low6 Ų685.9 Ų85.94%0.03749%0.488CS..BIsolated β-bridgetrans-73.8135.8-175.850.10000113.6D573 H579 P580 N581 C582D573-T596 WeakPolarHBondContact OD1-CA 3.44Å; H579-T596 HydrophobicContact CB-CG2 3.92Å; H579-T596 PolarHBondContact O-OG1 3.26Å; P580-T596 PolarHBondContact O-N 3.32Å; P580-T596 PolarHBondContact O-OG1 3.27Å; N581-T596 CarbonylContact C-O 3.58Å; N581-T596 WeakPolarHBondContact CA-O 3.4Å; N581-T596 PolarHBondContact ND2-OG1 3.43Å; C582-T596 PolarHBondContact N-O 3.48Å
597H80.7Confident67.1Low2 Ų287.9 Ų87.91%0.00950%0.495CS..  trans-99.1133.7172.5-62.467.4000109D573 C582 D585 C588 F595 R600 R601D573-H597 VanDerWaalsContact CG-ND1 3.26Å; D573-H597 WeakPolarHBondContact OD1-CB 3.29Å; D573-H597 IonicContact OD1-CE1 3.37Å; D573-H597 IonicContact OD1-CG 3.7Å; D573-H597 PolarHBondContact OD1-N 3.46Å; D573-H597 IonicContact OD1-ND1 3.07Å; D573-H597 PolarHBondContact OD1-ND1 3.36Å; D573-H597 IonicContact OD2-CG 3.9Å; D573-H597 IonicContact OD2-ND1 2.72Å; D573-H597 PolarHBondContact OD2-ND1 3.42Å; D573-H597 VanDerWaalsContact OD2-ND1 3.07Å; C582-H597 WeakPolarHBondContact CB-CE1 3.39Å; C582-H597 VanDerWaalsContact CB-NE2 3.32Å; C582-H597 WeakPolarHBondContact CB-NE2 3.43Å; C582-H597 PolarHBondContact SG-NE2 3.22Å; D585-H597 PolarHBondContact O-CD2 2.97Å; D585-H597 WeakPolarHBondContact OD1-CA 3.26Å; D585-H597 WeakPolarHBondContact OD1-CB 3.3Å; D585-H597 IonicContact OD1-CD2 3.56Å; D585-H597 IonicContact OD1-CG 3.13Å; C588-H597 WeakPolarHBondContact CB-NE2 3.4Å; C588-H597 PolarHBondContact SG-NE2 3.02Å; C588-H597 VanDerWaalsContact SG-NE2 3.38Å; F595-H597 PolarHBondContact O-CE1 2.9Å; F595-H597 PolarHBondContact O-ND1 3.34Å; H597-R600 HydrophobicContact CB-CB 3.87Å; H597-R600 HydrophobicContact CB-CG 3.92Å; H597-R601 PolarHBondContact O-NE 3.38Å
598V71.9Confident65.2Low85 Ų8586.2 Ų86.252%0.51550%0.501SS..SBendtrans-87.9-39.2170.8-171.90000108.5D585 R600 R601D585-V598 PolarHBondContact OD1-N 2.83Å; D585-V598 VanDerWaalsContact OD1-N 3.11Å; D585-V598 WeakPolarHBondContact OD2-CB 3.48Å; D585-V598 PolarHBondContact OD2-N 3.42Å; D585-V598 VanDerWaalsContact OD2-N 3.1Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 2.88Å; V598-R601 WeakPolarHBondContact O-CB 3.46Å; V598-R601 PolarHBondContact O-N 3.07Å
599S67Low63.1Low71 Ų7195.9 Ų95.950%0.49754%0.536SS..G310 helixtrans-68.3-23.9-177.4-167.80000114.6D585 A586 R601D585-S599 WeakPolarHBondContact OD1-CB 3.39Å; D585-S599 PolarHBondContact OD1-N 2.97Å; D585-S599 PolarHBondContact OD2-N 3.48Å; A586-S599 WeakPolarHBondContact CB-OG 3.49Å; S599-R601 VanDerWaalsContact C-N 3.32Å
600R64.6Low61Low113 Ų11395.3 Ų95.343%0.42654%0.535SS..G310 helixtrans-80.4-9177.9-69.9-178.9175-92.23.5113.7D573 C588 H597 V598 G602D573-R600 VanDerWaalsContact OD2-CD 3.29Å; D573-R600 WeakPolarHBondContact OD2-CD 3.38Å; C588-R600 PolarHBondContact O-NH2 2.89Å; H597-R600 HydrophobicContact CB-CB 3.87Å; H597-R600 HydrophobicContact CB-CG 3.92Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 2.88Å; R600-G602 PolarHBondContact O-N 3.06Å; R600-G602 VanDerWaalsContact O-N 3.1Å
601R61.5Low59.1Low107 Ų10794.2 Ų94.240%0.40454%0.539SS..G310 helixtrans-758.6178.2-55.2-176.9-175-159.6-0.1114.2H597 V598 S599H597-R601 PolarHBondContact O-NE 3.38Å; V598-R601 WeakPolarHBondContact O-CB 3.46Å; V598-R601 PolarHBondContact O-N 3.07Å; S599-R601 VanDerWaalsContact C-N 3.32Å
602G53.8Low57.8Low56 Ų5695.9 Ų95.958%0.57755%0.548SS*.G310 helixtrans-108.4-9.6-175.500000115.8R600R600-G602 PolarHBondContact O-N 3.06Å; R600-G602 VanDerWaalsContact O-N 3.1Å
603T40.3Very low56.3Low124 Ų12497.4 Ų97.476%0.76155%0.551SS**  trans-107.464.4-170.556.60000113.3
604V40.8Very low54.8Low118 Ų118105.2 Ų105.272%0.71559%0.586SS**SBendtrans-107.9126.1144.4176.70000105.4
605A43.6Very low53.3Low87 Ų87108.2 Ų108.272%0.71961%0.608SS**PPolyproline II helixtrans-63.9130.6178.200000109.2
606P44.8Very low52.2Low99 Ų99107.2 Ų107.264%0.64361%0.611SS**PPolyproline II helixtrans-63.7144170.828.9-33.6000108.7L608P606-L608 PolarHBondContact O-N 2.88Å
607P43.8Very low51.2Low115 Ų115108.6 Ų108.675%0.74762%0.622SS**PPolyproline II helixtrans-55.7142.6163.826.7-33.9000108.3R609P607-R609 PolarHBondContact O-N 3.47Å
608L39.2Very low50.5Low175 Ų175113.7 Ų113.792%0.91666%0.664SS**  trans-61.197.5-179.3-67.6174.4000109.3P606P606-L608 PolarHBondContact O-N 2.88Å
609R38.6Very low50.9Low214 Ų214113.9 Ų113.981%0.80867%0.666SS**PPolyproline II helixtrans-59.7133.6164-59.7-173.9-172.6-146.8-0.2106.4P607 V611P607-R609 PolarHBondContact O-N 3.47Å; R609-V611 PolarHBondContact O-N 3.14Å
610P39.9Very low51.8Low120 Ų120114 Ų11478%0.77966%0.663SS**PPolyproline II helixtrans-56.4117.3171.223.9-32.3000107.5V612P610-V612 PolarHBondContact O-N 2.98Å; P610-V612 VanDerWaalsContact O-N 3.12Å
611V40.4Very low52.9Low120 Ų120108.8 Ų108.873%0.72764%0.644SS**PPolyproline II helixtrans-61118.7170.5171.80000105.4R609 Q613R609-V611 PolarHBondContact O-N 3.14Å; V611-Q613 HydrophobicContact CG1-CG 4.31Å; V611-Q613 PolarHBondContact O-N 3.13Å
612V45.5Very low53.9Low129 Ų129114.7 Ų114.778%0.78267%0.666SS**  trans-65.291.2166.4178.50000106.1P610 Q614P610-V612 PolarHBondContact O-N 2.98Å; P610-V612 VanDerWaalsContact O-N 3.12Å; V612-Q614 VanDerWaalsContact C-N 3.29Å; V612-Q614 PolarHBondContact O-N 3.07Å
613Q42.3Very low55.3Low167 Ų167119.4 Ų119.478%0.7867%0.671SS**  trans-65.196.4172.1-70.3178.8-56.400106.2V611 S615V611-Q613 HydrophobicContact CG1-CG 4.31Å; V611-Q613 PolarHBondContact O-N 3.13Å; Q613-S615 PolarHBondContact O-N 3.26Å
614Q49.2Very low57.1Low173 Ų173116.1 Ų116.181%0.80865%0.646SS**  trans-61.594.7162.8-75-173.6-40.400106.7V612 S616V612-Q614 VanDerWaalsContact C-N 3.29Å; V612-Q614 PolarHBondContact O-N 3.07Å; Q614-S616 PolarHBondContact O-N 2.86Å
615S48.7Very low59.2Low107 Ų107113.9 Ų113.975%0.74863%0.634SS**  trans-74.763.9-178.659.50000110Q613 S617Q613-S615 PolarHBondContact O-N 3.26Å; S615-S617 PolarHBondContact O-N 3.5Å
616S56.9Low60.9Low63 Ų63117.5 Ų117.544%0.44164%0.636SS.*  trans-57.2114160.1610000106.6Q614 A618Q614-S616 PolarHBondContact O-N 2.86Å; S616-A618 PolarHBondContact O-N 2.91Å
617S60.8Low62.8Low36 Ų36114.2 Ų114.225%0.25262%0.615SS.*EExtended strand (participates in β ladder)trans-52.3143-179.660.40000110.4S615 T619 P633 F634 Y635S615-S617 PolarHBondContact O-N 3.5Å; S617-T619 CarbonylContact O-C 3.59Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 PolarHBondContact OG-O 2.84Å; S617-P633 PolarHBondContact N-O 3.48Å; S617-F634 WeakPolarHBondContact OG-CD1 3.4Å; S617-Y635 VanDerWaalsContact O-CB 3.28Å; S617-Y635 WeakPolarHBondContact O-CB 3.43Å
618A66.4Low64.6Low109 Ų109118.5 Ų118.590%0.90162%0.622SS**EExtended strand (participates in β ladder)trans-55.5-24.3173.900000112.5S616 V620S616-A618 PolarHBondContact O-N 2.91Å; A618-V620 PolarHBondContact O-N 3.38Å
619T81.2Confident66.6Low89 Ų89117.3 Ų117.355%0.54661%0.61SS.*EExtended strand (participates in β ladder)trans-60.8119.6166.2-370000111.7S617 Y635S617-T619 CarbonylContact O-C 3.59Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 PolarHBondContact OG-O 2.84Å; T619-Y635 PolarHBondContact O-N 3.37Å
620V84.7Confident68.5Low72 Ų72113.7 Ų113.744%0.43661%0.611SS.*EExtended strand (participates in β ladder)trans-59.2141.6166.8-176.70000109.7A618 R622 F624 Y635A618-V620 PolarHBondContact O-N 3.38Å; V620-R622 PolarHBondContact O-N 2.86Å; V620-F624 HydrophobicContact CG1-CB 4.41Å; V620-Y635 WeakPolarHBondContact CA-O 3.32Å; V620-Y635 HydrophobicContact CG2-CD1 4.2Å
621C88.1Confident70.5Confident5 Ų5114.9 Ų114.93%0.03461%0.611CS.*PPolyproline II helixtrans-59127176.6-177.40000112.1F623 F624 C632 F634 Y635 H636C621-F623 PolarHBondContact O-N 2.87Å; C621-F623 VanDerWaalsContact O-N 3.11Å; C621-F623 PolarHBondContact SG-N 3.18Å; C621-F624 HydrophobicContact CB-CB 4.12Å; C621-F624 VanDerWaalsContact O-CB 3.24Å; C621-F624 WeakPolarHBondContact O-CB 3.3Å; C621-F624 PolarHBondContact O-N 3.22Å; C621-C632 VanDerWaalsContact SG-SG 3.62Å; C621-F634 VanDerWaalsContact CA-CB 3.48Å; C621-F634 HydrophobicContact CB-CB 3.56Å; C621-Y635 PolarHBondContact N-O 3.39Å; C621-H636 WeakPolarHBondContact CB-CD2 3.38Å; C621-H636 WeakPolarHBondContact CB-NE2 3Å; C621-H636 PolarHBondContact SG-NE2 3.04Å; C621-H636 VanDerWaalsContact SG-NE2 3.4Å
622R83.3Confident72.5Confident230 Ų230110.3 Ų110.387%0.86858%0.584SS**THydrogen-bonded Turntrans-62.4-18178.5-62.2179.268.9108.9-1.3114.1V620V620-R622 PolarHBondContact O-N 2.86Å
623F81.9Confident74.4Confident156 Ų156108.3 Ų108.368%0.68457%0.574SS**THydrogen-bonded Turntrans-103.78178-58.7-78000112.9C621 E626 C627C621-F623 PolarHBondContact O-N 2.87Å; C621-F623 VanDerWaalsContact O-N 3.11Å; C621-F623 PolarHBondContact SG-N 3.18Å; F623-E626 CarbonylContact O-C 3.5Å; F623-E626 PolarHBondContact O-N 2.98Å; F623-C627 HydrophobicContact CB-CB 4.06Å; F623-C627 PolarHBondContact O-N 3.01Å
624F79.8Confident76.4Confident55 Ų55104.8 Ų104.824%0.24156%0.556CS.*THydrogen-bonded Turntrans-73.7136.3172.9-177.4-94.1000110.1V620 C621 H636 P637 Y654V620-F624 HydrophobicContact CG1-CB 4.41Å; C621-F624 HydrophobicContact CB-CB 4.12Å; C621-F624 VanDerWaalsContact O-CB 3.24Å; C621-F624 WeakPolarHBondContact O-CB 3.3Å; C621-F624 PolarHBondContact O-N 3.22Å; F624-H636 HydrophobicContact CD2-CB 4.07Å; F624-H636 AromaticContact CD2-CD2 3.61Å; F624-H636 HydrophobicContact CE2-CB 4.2Å; F624-P637 HydrophobicContact CD1-CG 4.24Å; F624-P637 HydrophobicContact CE1-CG 3.65Å; F624-P637 HydrophobicContact CE2-CG 4.2Å; F624-P637 HydrophobicContact CZ-CG 3.63Å; F624-Y654 HydrophobicContact CE1-CD1 4.28Å; F624-Y654 AromaticContact CE1-CD2 3.51Å; F624-Y654 HydrophobicContact CE1-CD2 3.51Å; F624-Y654 AromaticContact CE1-CE2 3.86Å; F624-Y654 HydrophobicContact CE1-CE2 3.86Å; F624-Y654 AromaticContact CE1-CG 3.74Å; F624-Y654 HydrophobicContact CE1-CG 3.74Å; F624-Y654 AromaticContact CZ-CD1 3.74Å; F624-Y654 HydrophobicContact CZ-CD1 3.74Å; F624-Y654 AromaticContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CE1 4.22Å; F624-Y654 HydrophobicContact CZ-CE2 4.29Å; F624-Y654 AromaticContact CZ-CG 3.49Å; F624-Y654 HydrophobicContact CZ-CG 3.49Å; F624-Y654 VanDerWaalsContact CZ-CG 3.49Å
625P83.4Confident78.1Confident71 Ų71101 Ų10146%0.46154%0.535SS..THydrogen-bonded Turncis-90.2-4.910.936.4-37.1000115.7C627 Y654P625-C627 VanDerWaalsContact C-N 3.31Å; P625-C627 PolarHBondContact O-N 2.82Å; P625-Y654 HydrophobicContact CB-CE1 4.23Å
626E79.6Confident79.8Confident163 Ų16398.8 Ų98.876%0.76251%0.512SS*.THydrogen-bonded Turntrans-85.77-169.6-63.8179.9-153.700114.9F623 K628F623-E626 CarbonylContact O-C 3.5Å; F623-E626 PolarHBondContact O-N 2.98Å; E626-K628 WeakPolarHBondContact O-CG 3.36Å; E626-K628 PolarHBondContact O-N 3.36Å
627C84.7Confident81.1Confident30 Ų3096.8 Ų96.820%0.20350%0.498CS..  trans-67.8105.1-173.8-166.10000112.1F623 P625 K629 C632 H636F623-C627 HydrophobicContact CB-CB 4.06Å; F623-C627 PolarHBondContact O-N 3.01Å; P625-C627 VanDerWaalsContact C-N 3.31Å; P625-C627 PolarHBondContact O-N 2.82Å; C627-K629 VanDerWaalsContact C-N 3.27Å; C627-K629 PolarHBondContact O-N 3.41Å; C627-C632 VanDerWaalsContact SG-SG 3.7Å; C627-H636 WeakPolarHBondContact CB-NE2 3.26Å
628K82.2Confident82.2Confident205 Ų205102.3 Ų102.389%0.89152%0.517SS*.  trans-78.90.4-179.5-58.2178-173.8171.80114.6E626E626-K628 WeakPolarHBondContact O-CG 3.36Å; E626-K628 PolarHBondContact O-N 3.36Å
629K81.6Confident83.1Confident150 Ų150101.6 Ų101.665%0.65250%0.504SS*.  trans-82.5116.4176.4-71.8-179179.1-73.50109.5C627 C632C627-K629 VanDerWaalsContact C-N 3.27Å; C627-K629 PolarHBondContact O-N 3.41Å; K629-C632 HydrophobicContact CB-CB 4.39Å
630V78.4Confident83.3Confident137 Ų13798 Ų9883%0.8348%0.482SS*.SBendtrans-62.5-48.3179.9-68.10000111.8C632V630-C632 PolarHBondContact O-N 3.23Å
631D80.4Confident83.3Confident145 Ų145105.3 Ų105.378%0.77550%0.502SS*.SBendtrans-97.269.1174.4-59.1-64.2000110.2
632C84.3Confident82.8Confident24 Ų24110.8 Ų110.816%0.16253%0.525CS..  trans-80.2128.3173.8-163.70000110.4C621 C627 K629 V630 F634 H636C621-C632 VanDerWaalsContact SG-SG 3.62Å; C627-C632 VanDerWaalsContact SG-SG 3.7Å; K629-C632 HydrophobicContact CB-CB 4.39Å; V630-C632 PolarHBondContact O-N 3.23Å; C632-F634 PolarHBondContact O-N 3.45Å; C632-H636 WeakPolarHBondContact CB-CE1 3.45Å
633P83.8Confident82.7Confident88 Ų88101.1 Ų101.157%0.57150%0.495SS*.SBendtrans-73.3-11.4179.729.7-35.6000113.8S617S617-P633 PolarHBondContact N-O 3.48Å
634F84.4Confident82.5Confident92 Ų9297.7 Ų97.740%0.40449%0.486SS..EExtended strand (participates in β ladder)trans-96.7151.2178.9-59.1-81.7000111.5S617 C621 C632 H636S617-F634 WeakPolarHBondContact OG-CD1 3.4Å; C621-F634 VanDerWaalsContact CA-CB 3.48Å; C621-F634 HydrophobicContact CB-CB 3.56Å; C632-F634 PolarHBondContact O-N 3.45Å; F634-H636 PolarHBondContact O-N 2.82Å
635Y85.8Confident82.4Confident94 Ų94101 Ų10137%0.36950%0.503SS..EExtended strand (participates in β ladder)trans-68.3131.4-174.5174.5-108.4000113.1S617 T619 V620 C621 P637S617-Y635 VanDerWaalsContact O-CB 3.28Å; S617-Y635 WeakPolarHBondContact O-CB 3.43Å; T619-Y635 PolarHBondContact O-N 3.37Å; V620-Y635 WeakPolarHBondContact CA-O 3.32Å; V620-Y635 HydrophobicContact CG2-CD1 4.2Å; C621-Y635 PolarHBondContact N-O 3.39Å; Y635-P637 HydrophobicContact CE1-CB 3.79Å; Y635-P637 HydrophobicContact CE1-CG 4.34Å
636H83.3Confident82.4Confident60 Ų6098.9 Ų98.928%0.27849%0.489SS..  trans-111.3109.3171.5-69.4159.6000109.7C621 F624 C627 C632 F634 K638C621-H636 WeakPolarHBondContact CB-CD2 3.38Å; C621-H636 WeakPolarHBondContact CB-NE2 3Å; C621-H636 PolarHBondContact SG-NE2 3.04Å; C621-H636 VanDerWaalsContact SG-NE2 3.4Å; F624-H636 HydrophobicContact CD2-CB 4.07Å; F624-H636 AromaticContact CD2-CD2 3.61Å; F624-H636 HydrophobicContact CE2-CB 4.2Å; C627-H636 WeakPolarHBondContact CB-NE2 3.26Å; C632-H636 WeakPolarHBondContact CB-CE1 3.45Å; F634-H636 PolarHBondContact O-N 2.82Å; H636-K638 PolarHBondContact O-N 2.84Å
637P84.9Confident82.6Confident21 Ų21101.3 Ų101.314%0.13650%0.497CS..PPolyproline II helixtrans-65.3127.1178.622.8-29.9000111.3F624 Y635 Y654F624-P637 HydrophobicContact CD1-CG 4.24Å; F624-P637 HydrophobicContact CE1-CG 3.65Å; F624-P637 HydrophobicContact CE2-CG 4.2Å; F624-P637 HydrophobicContact CZ-CG 3.63Å; Y635-P637 HydrophobicContact CE1-CB 3.79Å; Y635-P637 HydrophobicContact CE1-CG 4.34Å; P637-Y654 WeakPolarHBondContact O-CB 3.35Å
638K84Confident82.7Confident152 Ų152108.9 Ų108.966%0.66152%0.521SS*.PPolyproline II helixtrans-60.5141.4-179-69.1171.9-177.9170.50110.5H636 F653 Y654H636-K638 PolarHBondContact O-N 2.84Å; K638-F653 HydrophobicContact CB-CD1 4.05Å; K638-F653 HydrophobicContact CB-CE1 4.35Å; K638-F653 CarbonylContact O-C 3.53Å; K638-F653 WeakPolarHBondContact O-CA 3.46Å; K638-F653 WeakPolarHBondContact O-CB 3.29Å; K638-Y654 PolarHBondContact O-N 3.26Å
639P85Confident82.5Confident95 Ų95103.9 Ų103.962%0.61752%0.518SS*.BIsolated β-bridgetrans-65.1138179.626.8-34.5000111.3Y654P639-Y654 WeakPolarHBondContact CA-O 3.45Å
640C85.8Confident82.3Confident13 Ų13100.1 Ų100.19%0.08852%0.523CS..PPolyproline II helixtrans-68.3132.9178.3-177.70000110.8F642 A643 F653 Y654 H655C640-F642 PolarHBondContact O-N 2.78Å; C640-F642 PolarHBondContact SG-N 3.01Å; C640-A643 PolarHBondContact O-N 2.84Å; C640-F653 HydrophobicContact CB-CB 3.64Å; C640-Y654 PolarHBondContact N-O 3.42Å; C640-H655 WeakPolarHBondContact CB-CD2 3.33Å
641R84Confident82.5Confident226 Ų22695.2 Ų95.285%0.85349%0.494SS*.THydrogen-bonded Turntrans-53.2-25.5175.3174.9174.7169.3178-4113.8
642F78.5Confident82.5Confident120 Ų12093.6 Ų93.653%0.52649%0.489SS..THydrogen-bonded Turntrans-105-7.2-179-56-78.1000113.5C640 T644 Q645 C646C640-F642 PolarHBondContact O-N 2.78Å; C640-F642 PolarHBondContact SG-N 3.01Å; F642-T644 PolarHBondContact O-N 3.48Å; F642-Q645 WeakPolarHBondContact O-CA 3.44Å; F642-Q645 VanDerWaalsContact O-CB 3.31Å; F642-Q645 WeakPolarHBondContact O-CB 3.47Å; F642-Q645 PolarHBondContact O-N 2.86Å; F642-C646 HydrophobicContact CB-CB 3.84Å
643A80.9Confident82.5Confident27 Ų2797.3 Ų97.322%0.22350%0.503CS..G310 helixtrans42.3-128-17700000112.7C640 Q645 C646 P656C640-A643 PolarHBondContact O-N 2.84Å; A643-Q645 PolarHBondContact O-N 3.35Å; A643-Q645 VanDerWaalsContact O-N 3.15Å; A643-C646 VanDerWaalsContact O-CB 3.27Å; A643-C646 WeakPolarHBondContact O-CB 3.39Å; A643-C646 PolarHBondContact O-N 3.25Å; A643-C646 VanDerWaalsContact O-N 3.09Å; A643-P656 HydrophobicContact CB-CG 4.25Å
644T78Confident82.6Confident83 Ų8396.5 Ų96.551%0.50949%0.489SS..G310 helixtrans-61.1-16.9177.154.60000114.6F642 C646 P656F642-T644 PolarHBondContact O-N 3.48Å; T644-C646 VanDerWaalsContact C-N 3.32Å; T644-P656 WeakPolarHBondContact CG2-O 3.31Å
645Q76.9Confident82.4Confident126 Ų12695.3 Ų95.359%0.58949%0.485SS*.G310 helixtrans-88.64.2177-52.9-178.9-4.300112.7F642 A643 K647F642-Q645 WeakPolarHBondContact O-CA 3.44Å; F642-Q645 VanDerWaalsContact O-CB 3.31Å; F642-Q645 WeakPolarHBondContact O-CB 3.47Å; F642-Q645 PolarHBondContact O-N 2.86Å; A643-Q645 PolarHBondContact O-N 3.35Å; A643-Q645 VanDerWaalsContact O-N 3.15Å; Q645-K647 PolarHBondContact O-N 3.47Å; Q645-K647 VanDerWaalsContact O-N 3.07Å
646C84.2Confident81.8Confident25 Ų2592 Ų9217%0.16948%0.475CS..  trans-75.495.8-179.7-164.30000112.3F642 A643 T644 R648 H655F642-C646 HydrophobicContact CB-CB 3.84Å; A643-C646 VanDerWaalsContact O-CB 3.27Å; A643-C646 WeakPolarHBondContact O-CB 3.39Å; A643-C646 PolarHBondContact O-N 3.25Å; A643-C646 VanDerWaalsContact O-N 3.09Å; T644-C646 VanDerWaalsContact C-N 3.32Å; C646-R648 PolarHBondContact O-N 3.33Å; C646-H655 WeakPolarHBondContact CB-NE2 3.22Å
647K84.1Confident80.9Confident214 Ų21495.4 Ų95.493%0.9350%0.5SS*.  trans-71.313.7177.2-56.5-171.6179.3-172.90115Q645Q645-K647 PolarHBondContact O-N 3.47Å; Q645-K647 VanDerWaalsContact O-N 3.07Å
648R85.4Confident79.8Confident189 Ų189100 Ų10071%0.71353%0.528SS*.  trans-96.5105.7-176.3-173.6171.8-173.1139.24110.7C646 G650 C651C646-R648 PolarHBondContact O-N 3.33Å; R648-G650 PolarHBondContact O-N 3.09Å; R648-C651 WeakPolarHBondContact O-CB 3.46Å; R648-C651 PolarHBondContact O-N 3.15Å
649A78.6Confident78.5Confident100 Ų10096.3 Ų96.383%0.82653%0.525SS*.THydrogen-bonded Turntrans-55135.7164.100000109.9
650G78.5Confident77.3Confident72 Ų7297.1 Ų97.174%0.74253%0.528SS*.THydrogen-bonded Turntrans7129.3-175.500000115R648 T652R648-G650 PolarHBondContact O-N 3.09Å; G650-T652 PolarHBondContact O-N 2.76Å
651C82.7Confident75.9Confident34 Ų34100.2 Ų100.223%0.2355%0.548CS..  trans-66.2122.1170.5-169.40000111R648 F653 H655R648-C651 WeakPolarHBondContact O-CB 3.46Å; R648-C651 PolarHBondContact O-N 3.15Å; C651-F653 VanDerWaalsContact C-N 3.27Å; C651-F653 PolarHBondContact O-N 3.24Å; C651-H655 PolarHBondContact SG-NE2 3.04Å
652T80.6Confident74.8Confident111 Ų11191.7 Ų91.768%0.68152%0.522SS*.  trans-84.76-179.852.20000114.2G650G650-T652 PolarHBondContact O-N 2.76Å
653F83.6Confident73.7Confident102 Ų10297.6 Ų97.645%0.44754%0.541SS..SBendtrans-105.8145.3-179.5-65.2-88.7000110.6K638 C640 C651 H655K638-F653 HydrophobicContact CB-CD1 4.05Å; K638-F653 HydrophobicContact CB-CE1 4.35Å; K638-F653 CarbonylContact O-C 3.53Å; K638-F653 WeakPolarHBondContact O-CA 3.46Å; K638-F653 WeakPolarHBondContact O-CB 3.29Å; C640-F653 HydrophobicContact CB-CB 3.64Å; C651-F653 VanDerWaalsContact C-N 3.27Å; C651-F653 PolarHBondContact O-N 3.24Å; F653-H655 PolarHBondContact O-CD2 3.3Å; F653-H655 VanDerWaalsContact O-CD2 3.23Å; F653-H655 PolarHBondContact O-N 2.97Å
654Y85.9Confident72.7Confident71 Ų71102.7 Ų102.728%0.27856%0.56SS.*BIsolated β-bridgetrans-65.2132-176170.9-119.2000112.6F624 P625 P637 K638 P639 C640 P656F624-Y654 HydrophobicContact CE1-CD1 4.28Å; F624-Y654 AromaticContact CE1-CD2 3.51Å; F624-Y654 HydrophobicContact CE1-CD2 3.51Å; F624-Y654 AromaticContact CE1-CE2 3.86Å; F624-Y654 HydrophobicContact CE1-CE2 3.86Å; F624-Y654 AromaticContact CE1-CG 3.74Å; F624-Y654 HydrophobicContact CE1-CG 3.74Å; F624-Y654 AromaticContact CZ-CD1 3.74Å; F624-Y654 HydrophobicContact CZ-CD1 3.74Å; F624-Y654 AromaticContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CE1 4.22Å; F624-Y654 HydrophobicContact CZ-CE2 4.29Å; F624-Y654 AromaticContact CZ-CG 3.49Å; F624-Y654 HydrophobicContact CZ-CG 3.49Å; F624-Y654 VanDerWaalsContact CZ-CG 3.49Å; P625-Y654 HydrophobicContact CB-CE1 4.23Å; P637-Y654 WeakPolarHBondContact O-CB 3.35Å; K638-Y654 PolarHBondContact O-N 3.26Å; P639-Y654 WeakPolarHBondContact CA-O 3.45Å; C640-Y654 PolarHBondContact N-O 3.42Å; Y654-P656 HydrophobicContact CE1-CB 3.8Å; Y654-P656 HydrophobicContact CE1-CG 4.36Å; Y654-P656 WeakPolarHBondContact O-CD 3.38Å
655H79.7Confident71.7Confident67 Ų67101.7 Ų101.731%0.3156%0.56SS.*  trans-105.8102.7174.5-65.2174.8000109.1C640 C646 C651 F653 T657C640-H655 WeakPolarHBondContact CB-CD2 3.33Å; C646-H655 WeakPolarHBondContact CB-NE2 3.22Å; C651-H655 PolarHBondContact SG-NE2 3.04Å; F653-H655 PolarHBondContact O-CD2 3.3Å; F653-H655 VanDerWaalsContact O-CD2 3.23Å; F653-H655 PolarHBondContact O-N 2.97Å; H655-T657 PolarHBondContact O-N 3.34Å
656P74.1Confident71.3Confident25 Ų25101.1 Ų101.116%0.16256%0.56CS.*  trans-68.2124.4171.527-32.4000109.8A643 T644 Y654 T658A643-P656 HydrophobicContact CB-CG 4.25Å; T644-P656 WeakPolarHBondContact CG2-O 3.31Å; Y654-P656 HydrophobicContact CE1-CB 3.8Å; Y654-P656 HydrophobicContact CE1-CG 4.36Å; Y654-P656 WeakPolarHBondContact O-CD 3.38Å; P656-T658 VanDerWaalsContact C-N 3.3Å; P656-T658 PolarHBondContact O-N 3.45Å
657T63.2Low70.4Confident131 Ų131107.6 Ų107.680%0.80459%0.585SS**SBendtrans-64.3-36.1177.7-45.40000111.6H655 A659H655-T657 PolarHBondContact O-N 3.34Å; T657-A659 PolarHBondContact O-N 3.24Å
658T62.7Low69.1Low118 Ų118106.1 Ų106.172%0.72457%0.574SS**SBendtrans-66.9115.7173.7-40.60000109.6P656 V660P656-T658 VanDerWaalsContact C-N 3.3Å; P656-T658 PolarHBondContact O-N 3.45Å; T658-V660 VanDerWaalsContact C-N 3.31Å; T658-V660 PolarHBondContact O-N 3.03Å
659A56.3Low68.2Low73 Ų73102.7 Ų102.760%0.60357%0.574SS**  trans-71.680.3-176.300000112.3T657 P661T657-A659 PolarHBondContact O-N 3.24Å; A659-P661 WeakPolarHBondContact O-CD 3.35Å
660V59.6Low67.1Low113 Ų113107.4 Ų107.469%0.68558%0.576SS**PPolyproline II helixtrans-54.3119.7165.6179.70000107.7T658T658-V660 VanDerWaalsContact C-N 3.31Å; T658-V660 PolarHBondContact O-N 3.03Å
661P55.6Low66Low77 Ų77110.8 Ų110.850%0.558%0.577SS.*PPolyproline II helixtrans-58.3140.1-171.8-26.934.8000111.7A659 A665 L666A659-P661 WeakPolarHBondContact O-CD 3.35Å; P661-A665 HydrophobicContact CB-CB 4.15Å; P661-L666 HydrophobicContact CB-CD1 3.91Å; P661-L666 VanDerWaalsContact O-CD1 3.22Å; P661-L666 WeakPolarHBondContact O-CD1 3.39Å
662P61Low64.5Low47 Ų47120.8 Ų120.831%0.30561%0.61SS.*PPolyproline II helixtrans-54.9146.4178.7-26.434.5000111.4H664 A665 L666P662-H664 WeakPolarHBondContact CB-CE1 3.27Å; P662-H664 PolarHBondContact O-N 3.38Å; P662-A665 WeakPolarHBondContact O-CB 3.48Å; P662-A665 PolarHBondContact O-N 3Å; P662-L666 WeakPolarHBondContact O-CD1 3.42Å
663R56.3Low63Low245 Ų245120 Ų12093%0.92562%0.615SS**THydrogen-bonded Turntrans-55.1-15.4-179.2-87.9-170.9172-135.10.8115.4
664H59.6Low61.4Low134 Ų134119.9 Ų119.962%0.6263%0.633SS**THydrogen-bonded Turntrans-80.6-23.5172.559.5-116.2000114P662 K667P662-H664 WeakPolarHBondContact CB-CE1 3.27Å; P662-H664 PolarHBondContact O-N 3.38Å; H664-K667 WeakPolarHBondContact O-CG 3.34Å
665A58.3Low59.2Low62 Ų62127.7 Ų127.751%0.51268%0.679SS.*THydrogen-bonded Turntrans-80.7-26.617700000112.5P661 P662 K667P661-A665 HydrophobicContact CB-CB 4.15Å; P662-A665 WeakPolarHBondContact O-CB 3.48Å; P662-A665 PolarHBondContact O-N 3Å; A665-K667 PolarHBondContact O-N 3.07Å
666L68.3Low58.2Low113 Ų113130.7 Ų130.759%0.59270%0.698SS**SBendtrans-78.431.7170.4-63.491.4000112.7P661 P662P661-L666 HydrophobicContact CB-CD1 3.91Å; P661-L666 VanDerWaalsContact O-CD1 3.22Å; P661-L666 WeakPolarHBondContact O-CD1 3.39Å; P662-L666 WeakPolarHBondContact O-CD1 3.42Å
667K64.1Low57.4Low161 Ų161136.3 Ų136.370%0.773%0.726SS**  trans-84.6118.7170-86.3-175.5170.1-172.60108.8H664 A665 T669H664-K667 WeakPolarHBondContact O-CG 3.34Å; A665-K667 PolarHBondContact O-N 3.07Å; K667-T669 PolarHBondContact O-N 3.05Å
668W57.2Low57Low184 Ų184136.6 Ų136.670%0.69772%0.721SS**  trans-67.4100.4171.9-67.665000109.7
669T66.1Low56.7Low116 Ų116137.6 Ų137.671%0.71272%0.721SS**PPolyproline II helixtrans-73.1131.4159.940.20000108.5K667K667-T669 PolarHBondContact O-N 3.05Å
670K55.5Low56.7Low199 Ų199141.7 Ų141.787%0.86573%0.729SS**PPolyproline II helixtrans-80.2117.6169.1177.9-179.4177.8-179.60107.3R672K670-R672 PolarHBondContact O-N 3.4Å
671D56.4Low56.5Low144 Ų144143.6 Ų143.677%0.7773%0.732SS**PPolyproline II helixtrans-59.2125.1174.3-61-55.4000109.8A673D671-A673 PolarHBondContact O-N 3.27Å
672R50.6Low56.6Low244 Ų244148.4 Ų148.492%0.92175%0.748SS**  trans-90.895.6175-166.1176.8-171.8-1771.1105.9K670 A674K670-R672 PolarHBondContact O-N 3.4Å; R672-A674 PolarHBondContact O-N 3.31Å
673A49.6Very low56.3Low94 Ų94156.2 Ų156.278%0.77778%0.782SS**  trans-46.9130.9177.500000110.1D671D671-A673 PolarHBondContact O-N 3.27Å
674A49.9Very low56.3Low100 Ų100148.8 Ų148.883%0.82677%0.77SS**  trans-69.3160.5173.400000110.2R672R672-A674 PolarHBondContact O-N 3.31Å
675N39.6Very low56Low234 Ų234150.1 Ų150.1100%1.25178%0.784SS**  trans-74.10-173.3-174.495000112.6

Retrieved 675 of 675 residues in 415.4 ms (Link to these results)