A0A087WPY7_MOUSE Loading...

RNA binding motif protein Y-linked family member 4

AlphaFold DB , UniProt , Accession A0A087WPY7, Species MOUSE (Mus musculus, Mouse), Gene Rbmyf4, Length 166 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
1M32.4Very low66.9Low249 Ų24975.9 Ų75.9100%1.22742%0.421SS*.  086.80-76.8-74-177.100109.3
2A45.8Very low68.9Low92 Ų9269.6 Ų69.676%0.7639%0.386SS*.  trans-159.8104.3173.400000111.4
3E49.2Very low70.7Confident105 Ų10564.8 Ų64.849%0.49136%0.362SS..  trans68.5104.9146.4-44.2-160.3109.400119.7N5 R85E3-N5 WeakPolarHBondContact CB-ND2 3.5Å; E3-N5 PolarHBondContact O-N 3.12Å; E3-N5 PolarHBondContact OE2-ND2 3.25Å; E3-R85 IonicContact OE1-CZ 3.63Å; E3-R85 IonicContact OE1-NE 3.47Å; E3-R85 PolarHBondContact OE1-NE 3.38Å; E3-R85 IonicContact OE1-NH2 2.87Å; E3-R85 PolarHBondContact OE1-NH2 2.85Å
4T50.8Low72Confident117 Ų11762.7 Ų62.772%0.71836%0.363SS*.  trans-69.356.5163.547.10000111.8R86T4-R86 WeakPolarHBondContact O-CG 3.34Å
5N62.8Low73.2Confident23 Ų2359.1 Ų59.112%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-79.1142.9178.8-68.1-35.2000110.4E3 P7 Q83E3-N5 WeakPolarHBondContact CB-ND2 3.5Å; E3-N5 PolarHBondContact O-N 3.12Å; E3-N5 PolarHBondContact OE2-ND2 3.25Å; N5-P7 WeakPolarHBondContact O-CD 3.46Å; N5-Q83 VanDerWaalsContact CB-CD 3.5Å; N5-Q83 HydrophobicContact CB-CG 3.8Å; N5-Q83 PolarHBondContact ND2-NE2 2.92Å; N5-Q83 PolarHBondContact ND2-OE1 3.48Å; N5-Q83 VanDerWaalsContact ND2-OE1 3.16Å
6Q66.6Low74.1Confident60 Ų6056.8 Ų56.828%0.2833%0.328SS..EExtended strand (participates in β ladder)trans-69.3117.5167.7-84.9166.1-5.900108.2G8 K9 R86Q6-G8 PolarHBondContact O-N 3.36Å; Q6-K9 HydrophobicContact CB-CB 3.86Å; Q6-K9 PolarHBondContact O-N 3.17Å; Q6-K9 VanDerWaalsContact O-N 3.16Å; Q6-R86 HydrophobicContact CG-CG 3.63Å
7P71.9Confident74.7Confident93 Ų9358.5 Ų58.560%0.60433%0.334SS*.EExtended strand (participates in β ladder)trans-65.1114.5-18026.5-32000108.5N5 L59N5-P7 WeakPolarHBondContact O-CD 3.46Å; P7-L59 HydrophobicContact CB-CD1 4.01Å; P7-L59 HydrophobicContact CB-CD2 4.09Å; P7-L59 HydrophobicContact CB-CG 4.46Å
8G83.2Confident75.3Confident2 Ų264.4 Ų64.42%0.02136%0.356CS..EExtended strand (participates in β ladder)trans105.5-10.9-179.700000115.7Q6 F56Q6-G8 PolarHBondContact O-N 3.36Å; G8-F56 PolarHBondContact O-N 2.83Å
9K90.3Very high75.7Confident31 Ų3161.5 Ų61.514%0.13534%0.339CS..EExtended strand (participates in β ladder)trans-93.9131.4176.4-165.3-179178.3-179.10111.6Q6 L54 A84Q6-K9 HydrophobicContact CB-CB 3.86Å; Q6-K9 PolarHBondContact O-N 3.17Å; Q6-K9 VanDerWaalsContact O-N 3.16Å; K9-L54 CarbonylContact C-O 3.56Å; K9-L54 WeakPolarHBondContact CA-O 3.22Å; K9-A84 HydrophobicContact CB-CB 3.83Å; K9-A84 HydrophobicContact CD-CB 3.83Å; K9-A84 HydrophobicContact CG-CB 3.52Å; K9-A84 VanDerWaalsContact O-CB 3.31Å; K9-A84 WeakPolarHBondContact O-CB 3.41Å; K9-A84 PolarHBondContact O-N 3.26Å
10I91.6Very high76.3Confident1 Ų167.1 Ų67.11%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-118.1147.9177.664.7156.8000110.8I12 F28 F53 L54 F56 A62 V66 V81 K82I10-I12 HydrophobicContact CD1-CD1 3.93Å; I10-I12 HydrophobicContact CD1-CG1 3.89Å; I10-I12 HydrophobicContact CG1-CG1 4.41Å; I10-F28 HydrophobicContact CD1-CD1 3.65Å; I10-F28 HydrophobicContact CD1-CE1 3.46Å; I10-F28 VanDerWaalsContact CD1-CE1 3.46Å; I10-F28 HydrophobicContact CD1-CZ 4.22Å; I10-F53 WeakPolarHBondContact O-CA 3.35Å; I10-L54 HydrophobicContact CD1-CB 4.07Å; I10-L54 HydrophobicContact CD1-CD2 4.18Å; I10-L54 HydrophobicContact CG1-CB 3.73Å; I10-L54 HydrophobicContact CG1-CD2 4.1Å; I10-L54 VanDerWaalsContact CG1-O 3.3Å; I10-L54 WeakPolarHBondContact CG1-O 3.44Å; I10-L54 PolarHBondContact N-O 2.98Å; I10-L54 PolarHBondContact O-N 2.92Å; I10-F56 HydrophobicContact CD1-CD2 4.45Å; I10-F56 HydrophobicContact CD1-CE2 3.64Å; I10-F56 HydrophobicContact CD1-CZ 4.46Å; I10-F56 HydrophobicContact CG1-CD2 4.35Å; I10-F56 HydrophobicContact CG1-CE2 4Å; I10-F56 HydrophobicContact CG2-CD2 4.31Å; I10-F56 HydrophobicContact CG2-CE2 4.29Å; I10-A62 HydrophobicContact CG2-CB 3.87Å; I10-V66 HydrophobicContact CB-CG2 4.33Å; I10-V66 HydrophobicContact CG2-CG2 3.67Å; I10-V81 HydrophobicContact CD1-CG1 4.01Å; I10-K82 CarbonylContact C-O 3.57Å; I10-K82 WeakPolarHBondContact CA-O 3.38Å
11F91.1Very high76.9Confident62 Ų6268 Ų6827%0.27236%0.357SS..EExtended strand (participates in β ladder)trans-103.1131.2171.4169.7-95.8000108.8F51 F53 V81 K82 A84F11-F51 HydrophobicContact CE2-CB 3.76Å; F11-F51 AromaticContact CE2-CD2 3.77Å; F11-F51 HydrophobicContact CE2-CD2 3.77Å; F11-F51 AromaticContact CE2-CG 3.99Å; F11-F51 HydrophobicContact CE2-CG 3.99Å; F11-F51 HydrophobicContact CZ-CB 3.93Å; F11-F51 HydrophobicContact CZ-CG 4.44Å; F11-F53 HydrophobicContact CB-CD1 4.32Å; F11-F53 HydrophobicContact CB-CE1 4.18Å; F11-F53 HydrophobicContact CD2-CD1 4.2Å; F11-F53 AromaticContact CD2-CE1 3.62Å; F11-F53 HydrophobicContact CD2-CE1 3.62Å; F11-F53 AromaticContact CD2-CZ 3.92Å; F11-F53 HydrophobicContact CD2-CZ 3.92Å; F11-F53 HydrophobicContact CE2-CZ 4.45Å; F11-F53 HydrophobicContact CG-CE1 4.39Å; F11-V81 CarbonylContact O-C 3.52Å; F11-V81 WeakPolarHBondContact O-CA 3.39Å; F11-K82 HydrophobicContact CD1-CB 4.46Å; F11-K82 PolarHBondContact N-O 2.96Å; F11-K82 PolarHBondContact O-N 3.38Å; F11-A84 HydrophobicContact CB-CB 4.49Å
12I91.3Very high79.7Confident0 Ų064.2 Ų64.20%033%0.334CS..EExtended strand (participates in β ladder)trans-122.3111.6178.3-53157.8000107I10 L15 L24 F28 F51 A52 L54 K80 V81I10-I12 HydrophobicContact CD1-CD1 3.93Å; I10-I12 HydrophobicContact CD1-CG1 3.89Å; I10-I12 HydrophobicContact CG1-CG1 4.41Å; I12-L15 HydrophobicContact CG2-CD1 4.12Å; I12-L15 HydrophobicContact CG2-CD2 3.67Å; I12-L15 HydrophobicContact CG2-CG 3.96Å; I12-L24 HydrophobicContact CD1-CD2 4.46Å; I12-F28 HydrophobicContact CD1-CD2 3.92Å; I12-F28 HydrophobicContact CD1-CE1 4.11Å; I12-F28 HydrophobicContact CD1-CE2 3.37Å; I12-F28 HydrophobicContact CD1-CZ 3.48Å; I12-F28 VanDerWaalsContact CD1-CZ 3.48Å; I12-F28 HydrophobicContact CG1-CE1 4.3Å; I12-F28 HydrophobicContact CG1-CE2 4.05Å; I12-F28 HydrophobicContact CG1-CZ 3.67Å; I12-F28 HydrophobicContact CG2-CE2 4.38Å; I12-F28 HydrophobicContact CG2-CZ 4.25Å; I12-F51 CarbonylContact O-C 3.49Å; I12-F51 WeakPolarHBondContact O-CA 3.34Å; I12-F51 VanDerWaalsContact O-CB 3.32Å; I12-F51 WeakPolarHBondContact O-CB 3.15Å; I12-A52 PolarHBondContact N-O 3.3Å; I12-A52 PolarHBondContact O-N 3.42Å; I12-L54 HydrophobicContact CD1-CB 3.91Å; I12-L54 HydrophobicContact CD1-CD1 4.34Å; I12-K80 CarbonylContact C-O 3.58Å; I12-K80 WeakPolarHBondContact CA-O 3.46Å; I12-V81 HydrophobicContact CG1-CG1 4.47Å; I12-V81 HydrophobicContact CG2-CG2 4.39Å
13G91.8Very high81.8Confident7 Ų762.5 Ų62.57%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-112.5165176.800000112.2G50 I79 K80G13-G50 CarbonylContact C-O 3.57Å; G13-I79 CarbonylContact O-C 3.56Å; G13-I79 VanDerWaalsContact O-CA 3.24Å; G13-I79 WeakPolarHBondContact O-CA 3.28Å; G13-K80 PolarHBondContact N-O 3.13Å; G13-K80 PolarHBondContact O-N 3.4Å
14G89.7Confident83.8Confident36 Ų3657.5 Ų57.537%0.37129%0.291SS..SBendtrans79.51717900000114.1G50 K77G14-G50 PolarHBondContact N-O 3.05Å; G14-K77 WeakPolarHBondContact O-CB 3.31Å
15L89.8Confident85.7Confident8 Ų856.6 Ų56.64%0.04228%0.278CS..  trans-68.7149.2176.7-62.5178.4000111.2I12 T19 L24 G50 A52 L74 I79I12-L15 HydrophobicContact CG2-CD1 4.12Å; I12-L15 HydrophobicContact CG2-CD2 3.67Å; I12-L15 HydrophobicContact CG2-CG 3.96Å; L15-T19 HydrophobicContact CD2-CG2 4.42Å; L15-L24 HydrophobicContact CD1-CD1 3.75Å; L15-L24 HydrophobicContact CD1-CD2 3.88Å; L15-L24 HydrophobicContact CD1-CG 4.37Å; L15-L24 HydrophobicContact CD2-CD2 3.74Å; L15-L24 HydrophobicContact CG-CD2 4.48Å; L15-G50 PolarHBondContact N-O 3.12Å; L15-G50 WeakPolarHBondContact O-CA 3.47Å; L15-A52 HydrophobicContact CD1-CB 3.72Å; L15-L74 HydrophobicContact CD2-CD2 4.1Å; L15-I79 HydrophobicContact CD2-CG2 3.85Å
16N86.8Confident87.1Confident23 Ų2361.9 Ų61.912%0.12330%0.303CS..  trans-73.3155.4171.6-158.116000111.4K18 T19 D75 K77N16-K18 PolarHBondContact O-N 3.31Å; N16-T19 PolarHBondContact N-OG1 3.03Å; N16-T19 WeakPolarHBondContact O-CB 3.2Å; N16-T19 PolarHBondContact O-N 3.31Å; N16-T19 PolarHBondContact O-OG1 2.86Å; N16-D75 HydrophobicContact CB-CB 4.01Å; N16-D75 WeakPolarHBondContact CB-OD1 3.38Å; N16-D75 PolarHBondContact ND2-OD1 2.93Å; N16-K77 HydrophobicContact CB-CD 4.08Å; N16-K77 WeakPolarHBondContact OD1-CE 3.41Å; N16-K77 PolarHBondContact OD1-NZ 2.84Å
17I85.2Confident88.2Confident85 Ų8560.5 Ų60.544%0.43630%0.297SS..THydrogen-bonded Turntrans-61.5-31.8179.7-56.4167.7000110.1K47 S48I17-K47 HydrophobicContact CG2-CB 3.86Å; I17-K47 HydrophobicContact CG2-CG 4.06Å; I17-S48 PolarHBondContact O-OG 3.16Å; I17-S48 VanDerWaalsContact O-OG 3.11Å
18K84.8Confident89.1Confident166 Ų16656 Ų5672%0.72227%0.268SS*.THydrogen-bonded Turntrans-73.8-23177.3-61.4-175.4178.6-177.90113.7N16 R20N16-K18 PolarHBondContact O-N 3.31Å; K18-R20 PolarHBondContact O-N 3.35Å
19T84.2Confident89.5Confident8 Ų857.7 Ų57.75%0.04929%0.285CS..  trans-66128.9-176.3-50.20000110.6L15 N16 T23 L24 L39 L74L15-T19 HydrophobicContact CD2-CG2 4.42Å; N16-T19 PolarHBondContact N-OG1 3.03Å; N16-T19 WeakPolarHBondContact O-CB 3.2Å; N16-T19 PolarHBondContact O-N 3.31Å; N16-T19 PolarHBondContact O-OG1 2.86Å; T19-T23 HydrophobicContact CG2-CG2 4.31Å; T19-L24 HydrophobicContact CG2-CD2 4.17Å; T19-L24 HydrophobicContact CG2-CG 4.31Å; T19-L39 WeakPolarHBondContact O-CD1 3.43Å; T19-L74 HydrophobicContact CG2-CD2 3.9Å
20R86.6Confident89.5Confident173 Ų17366.1 Ų66.165%0.65332%0.316SS*.  trans-106.2166.5-179.3-64.8-175.2177.9-170.1-0.1111.3K18 K22 T23 L24K18-R20 PolarHBondContact O-N 3.35Å; R20-K22 PolarHBondContact O-N 2.97Å; R20-T23 PolarHBondContact O-N 3.06Å; R20-L24 PolarHBondContact O-N 3.37Å
21Q90Very high89.4Confident86 Ų8668.3 Ų68.340%0.40233%0.325SS..Hα-helixtrans-52.6-42.3173.3177.6174.5-16.200112.4T23 L24 Q25 V37Q21-T23 PolarHBondContact O-N 2.91Å; Q21-L24 PolarHBondContact O-N 3.39Å; Q21-Q25 PolarHBondContact O-N 3.35Å; Q21-V37 HydrophobicContact CB-CG1 4.48Å; Q21-V37 HydrophobicContact CG-CB 3.68Å; Q21-V37 HydrophobicContact CG-CG1 3.7Å; Q21-V37 HydrophobicContact CG-CG2 4.43Å
22K90.7Very high89.4Confident171 Ų17166 Ų6674%0.74332%0.319SS*.Hα-helixtrans-57.1-46.6-179.9-65-169.8176.1-170.80112R20 L24 Q25 E26R20-K22 PolarHBondContact O-N 2.97Å; K22-L24 VanDerWaalsContact C-N 3.35Å; K22-L24 PolarHBondContact O-N 3.49Å; K22-Q25 WeakPolarHBondContact O-CB 3.24Å; K22-Q25 PolarHBondContact O-N 3.15Å; K22-E26 PolarHBondContact O-N 3.04Å
23T89.8Confident89.4Confident55 Ų5569 Ų6934%0.33734%0.338SS..Hα-helixtrans-61-42.8178-45.80000111.8T19 R20 Q21 Q25 E26 I27T19-T23 HydrophobicContact CG2-CG2 4.31Å; R20-T23 PolarHBondContact O-N 3.06Å; Q21-T23 PolarHBondContact O-N 2.91Å; T23-Q25 VanDerWaalsContact C-N 3.35Å; T23-E26 PolarHBondContact O-N 3.5Å; T23-I27 HydrophobicContact CG2-CD1 3.8Å; T23-I27 WeakPolarHBondContact O-CD1 3.31Å; T23-I27 VanDerWaalsContact O-CG1 3.24Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 2.96Å
24L90.6Very high89.4Confident0 Ų070 Ų700%034%0.343CS..Hα-helixtrans-65-41.5176.1-62.3175.5000111.4I12 L15 T19 R20 Q21 K22 E26 I27 F28 V37 L39 A52I12-L24 HydrophobicContact CD1-CD2 4.46Å; L15-L24 HydrophobicContact CD1-CD1 3.75Å; L15-L24 HydrophobicContact CD1-CD2 3.88Å; L15-L24 HydrophobicContact CD1-CG 4.37Å; L15-L24 HydrophobicContact CD2-CD2 3.74Å; L15-L24 HydrophobicContact CG-CD2 4.48Å; T19-L24 HydrophobicContact CG2-CD2 4.17Å; T19-L24 HydrophobicContact CG2-CG 4.31Å; R20-L24 PolarHBondContact O-N 3.37Å; Q21-L24 PolarHBondContact O-N 3.39Å; K22-L24 VanDerWaalsContact C-N 3.35Å; K22-L24 PolarHBondContact O-N 3.49Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-E26 PolarHBondContact O-N 3.41Å; L24-I27 PolarHBondContact O-N 3.45Å; L24-F28 HydrophobicContact CB-CD2 4.41Å; L24-F28 HydrophobicContact CD2-CD2 4.46Å; L24-F28 HydrophobicContact CD2-CE2 4.11Å; L24-F28 VanDerWaalsContact O-CB 3.29Å; L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 VanDerWaalsContact O-CD2 3.27Å; L24-F28 WeakPolarHBondContact O-CD2 3.39Å; L24-F28 PolarHBondContact O-N 3.43Å; L24-V37 HydrophobicContact CB-CG1 4.27Å; L24-V37 HydrophobicContact CD1-CG1 4.2Å; L24-L39 HydrophobicContact CD1-CD1 4.34Å; L24-A52 HydrophobicContact CD1-CB 3.46Å; L24-A52 VanDerWaalsContact CD1-CB 3.46Å
25Q91.9Very high89.5Confident98 Ų9871 Ų7146%0.45835%0.348SS..Hα-helixtrans-62.6-40.1178.2-174.5175.6-0.100112Q21 K22 T23 G29 V37Q21-Q25 PolarHBondContact O-N 3.35Å; K22-Q25 WeakPolarHBondContact O-CB 3.24Å; K22-Q25 PolarHBondContact O-N 3.15Å; T23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-G29 VanDerWaalsContact O-CA 3.22Å; Q25-G29 WeakPolarHBondContact O-CA 3.47Å; Q25-G29 PolarHBondContact O-N 3.17Å; Q25-V37 HydrophobicContact CB-CG2 4.37Å
26E91.9Very high89.5Confident135 Ų13578.4 Ų78.463%0.63138%0.375SS*.Hα-helixtrans-67.9-47.3177.9-174.517582.500112.2K22 T23 L24K22-E26 PolarHBondContact O-N 3.04Å; T23-E26 PolarHBondContact O-N 3.5Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-E26 PolarHBondContact O-N 3.41Å
27I89.9Confident89.8Confident30 Ų3077.9 Ų77.915%0.15437%0.373CS..Hα-helixtrans-65.2-51.1-179.6-66.4165.4000110.9T23 L24 G29 M69 L74T23-I27 HydrophobicContact CG2-CD1 3.8Å; T23-I27 WeakPolarHBondContact O-CD1 3.31Å; T23-I27 VanDerWaalsContact O-CG1 3.24Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 2.96Å; L24-I27 PolarHBondContact O-N 3.45Å; I27-G29 VanDerWaalsContact C-N 3.33Å; I27-M69 HydrophobicContact CG2-CE 3.34Å; I27-M69 HydrophobicContact CG2-SD 4.02Å; I27-L74 HydrophobicContact CD1-CD1 3.44Å; I27-L74 VanDerWaalsContact CD1-CD1 3.44Å; I27-L74 HydrophobicContact CD1-CD2 3.84Å; I27-L74 HydrophobicContact CD1-CG 4.3Å
28F90.5Very high90Very high0 Ų075.8 Ų75.80%036%0.362CS..Hα-helixtrans-77.3-21.9-177.2-74-87.6000112.5I10 I12 L24 R30 F31 V34 L54 F56 A65 M69 V81I10-F28 HydrophobicContact CD1-CD1 3.65Å; I10-F28 HydrophobicContact CD1-CE1 3.46Å; I10-F28 VanDerWaalsContact CD1-CE1 3.46Å; I10-F28 HydrophobicContact CD1-CZ 4.22Å; I12-F28 HydrophobicContact CD1-CD2 3.92Å; I12-F28 HydrophobicContact CD1-CE1 4.11Å; I12-F28 HydrophobicContact CD1-CE2 3.37Å; I12-F28 HydrophobicContact CD1-CZ 3.48Å; I12-F28 VanDerWaalsContact CD1-CZ 3.48Å; I12-F28 HydrophobicContact CG1-CE1 4.3Å; I12-F28 HydrophobicContact CG1-CE2 4.05Å; I12-F28 HydrophobicContact CG1-CZ 3.67Å; I12-F28 HydrophobicContact CG2-CE2 4.38Å; I12-F28 HydrophobicContact CG2-CZ 4.25Å; L24-F28 HydrophobicContact CB-CD2 4.41Å; L24-F28 HydrophobicContact CD2-CD2 4.46Å; L24-F28 HydrophobicContact CD2-CE2 4.11Å; L24-F28 VanDerWaalsContact O-CB 3.29Å; L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 VanDerWaalsContact O-CD2 3.27Å; L24-F28 WeakPolarHBondContact O-CD2 3.39Å; L24-F28 PolarHBondContact O-N 3.43Å; F28-R30 PolarHBondContact O-N 2.92Å; F28-F31 PolarHBondContact O-N 3.37Å; F28-F31 VanDerWaalsContact O-N 3.12Å; F28-V34 HydrophobicContact CB-CG2 4.44Å; F28-L54 HydrophobicContact CB-CD1 3.48Å; F28-L54 VanDerWaalsContact CB-CD1 3.48Å; F28-L54 HydrophobicContact CD1-CD1 4.47Å; F28-L54 HydrophobicContact CD2-CD1 4Å; F28-L54 HydrophobicContact CG-CD1 3.73Å; F28-F56 HydrophobicContact CB-CE1 4.46Å; F28-F56 HydrophobicContact CB-CZ 3.94Å; F28-F56 HydrophobicContact CD1-CE2 4.37Å; F28-F56 AromaticContact CD1-CZ 3.97Å; F28-F56 HydrophobicContact CD1-CZ 3.97Å; F28-F56 HydrophobicContact CG-CZ 4.43Å; F28-F56 WeakPolarHBondContact O-CE1 3.42Å; F28-A65 HydrophobicContact CD1-CB 4Å; F28-A65 HydrophobicContact CE1-CB 4.27Å; F28-M69 HydrophobicContact CD1-CG 4.38Å; F28-M69 HydrophobicContact CE1-CB 3.95Å; F28-M69 HydrophobicContact CE1-CG 3.84Å; F28-M69 HydrophobicContact CZ-CB 4.11Å; F28-M69 HydrophobicContact CZ-CG 4.21Å; F28-V81 HydrophobicContact CE1-CG1 4.23Å; F28-V81 HydrophobicContact CE1-CG2 4.35Å; F28-V81 HydrophobicContact CZ-CG2 3.99Å
29G90.5Very high90.3Very high36 Ų3668.9 Ų68.937%0.37133%0.333SS..Hα-helixtrans-62.6-22.7174.900000113.6Q25 I27 F31 G32Q25-G29 VanDerWaalsContact O-CA 3.22Å; Q25-G29 WeakPolarHBondContact O-CA 3.47Å; Q25-G29 PolarHBondContact O-N 3.17Å; I27-G29 VanDerWaalsContact C-N 3.33Å; G29-F31 VanDerWaalsContact C-N 3.25Å; G29-F31 PolarHBondContact O-N 2.94Å; G29-G32 PolarHBondContact O-N 2.82Å
30R90.8Very high90.5Very high209 Ų20971.4 Ų71.479%0.78935%0.345SS*.THydrogen-bonded Turntrans-65.4-26.8173.9-61.8-178.4-178.6-169.5-1.1113.3F28F28-R30 PolarHBondContact O-N 2.92Å
31F89.4Confident90.5Very high47 Ų4769 Ų6921%0.20634%0.336CS..THydrogen-bonded Turntrans-86.4-24.2179.4-61.2-83000112.7F28 G29 F56 D61 A65 E68 M69F28-F31 PolarHBondContact O-N 3.37Å; F28-F31 VanDerWaalsContact O-N 3.12Å; G29-F31 VanDerWaalsContact C-N 3.25Å; G29-F31 PolarHBondContact O-N 2.94Å; F31-F56 HydrophobicContact CB-CE1 4.48Å; F31-D61 WeakPolarHBondContact O-CB 3.45Å; F31-A65 HydrophobicContact CB-CB 4.09Å; F31-A65 HydrophobicContact CD1-CB 4.34Å; F31-A65 HydrophobicContact CD2-CB 4.02Å; F31-A65 HydrophobicContact CG-CB 3.87Å; F31-E68 HydrophobicContact CE1-CB 3.56Å; F31-E68 HydrophobicContact CE1-CG 3.88Å; F31-E68 HydrophobicContact CZ-CB 3.86Å; F31-M69 HydrophobicContact CD2-CG 4.33Å; F31-M69 HydrophobicContact CE2-CG 3.35Å; F31-M69 HydrophobicContact CE2-SD 3.5Å; F31-M69 VanDerWaalsContact CE2-SD 3.5Å; F31-M69 HydrophobicContact CZ-CG 3.5Å; F31-M69 HydrophobicContact CZ-SD 3.54Å; F31-M69 VanDerWaalsContact CZ-SD 3.54Å
32G90.3Very high90.3Very high13 Ų1367.6 Ų67.613%0.13433%0.331CS..SBendtrans161.2175.8179.800000114.2G29 V34G29-G32 PolarHBondContact O-N 2.82Å; G32-V34 PolarHBondContact O-N 3.21Å; G32-V34 VanDerWaalsContact O-N 3.17Å
33P91.7Very high89.7Confident62 Ų6270.9 Ų70.940%0.40334%0.339SS..  trans-63.3115.7-177.723.9-34.5000112.5R57 D61P33-R57 HydrophobicContact CB-CB 4.37Å; P33-R57 HydrophobicContact CB-CG 4.24Å; P33-R57 HydrophobicContact CG-CB 4.09Å; P33-R57 HydrophobicContact CG-CG 4.49Å; P33-R57 PolarHBondContact O-N 3.02Å; P33-D61 WeakPolarHBondContact CD-OD2 3.48Å
34V92.3Very high89.2Confident28 Ų2876.7 Ų76.717%0.1736%0.362CS..EExtended strand (participates in β ladder)trans-81122.4175.4-177.20000109.7F28 G32 V37 L54 F56F28-V34 HydrophobicContact CB-CG2 4.44Å; G32-V34 PolarHBondContact O-N 3.21Å; G32-V34 VanDerWaalsContact O-N 3.17Å; V34-V37 HydrophobicContact CG1-CG2 3.51Å; V34-L54 HydrophobicContact CB-CD2 4.47Å; V34-L54 HydrophobicContact CG1-CD1 3.95Å; V34-L54 HydrophobicContact CG1-CD2 3.75Å; V34-L54 HydrophobicContact CG1-CG 3.66Å; V34-L54 HydrophobicContact CG2-CD1 4.24Å; V34-L54 HydrophobicContact CG2-CD2 4.12Å; V34-F56 HydrophobicContact CG2-CD1 4.29Å; V34-F56 HydrophobicContact CG2-CE1 3.99Å
35A91.6Very high88.6Confident59 Ų5980.3 Ų80.349%0.48838%0.384SS..EExtended strand (participates in β ladder)trans-81.5-44.417700000112.1T55 R57A35-T55 WeakPolarHBondContact CA-O 3.33Å; A35-T55 HydrophobicContact CB-CG2 4.26Å; A35-T55 WeakPolarHBondContact CB-O 3.38Å; A35-T55 PolarHBondContact N-O 2.74Å; A35-R57 HydrophobicContact CB-CG 3.93Å
36R90.9Very high87.8Confident163 Ų16384.2 Ų84.262%0.61540%0.4SS*.EExtended strand (participates in β ladder)trans-153141.9-177.9-162.3172.4-172.8-139.20.3111.5I38 L54 T55R36-I38 HydrophobicContact CG-CG1 4.16Å; R36-L54 CarbonylContact O-C 3.56Å; R36-L54 WeakPolarHBondContact O-CA 3.42Å; R36-T55 PolarHBondContact N-O 2.79Å; R36-T55 VanDerWaalsContact N-O 3.11Å; R36-T55 PolarHBondContact O-N 3.11Å
37V92.1Very high87.1Confident12 Ų1283.6 Ų83.67%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-122.5128.7172.4-171.30000108.6Q21 L24 Q25 V34 L54Q21-V37 HydrophobicContact CB-CG1 4.48Å; Q21-V37 HydrophobicContact CG-CB 3.68Å; Q21-V37 HydrophobicContact CG-CG1 3.7Å; Q21-V37 HydrophobicContact CG-CG2 4.43Å; L24-V37 HydrophobicContact CB-CG1 4.27Å; L24-V37 HydrophobicContact CD1-CG1 4.2Å; Q25-V37 HydrophobicContact CB-CG2 4.37Å; V34-V37 HydrophobicContact CG1-CG2 3.51Å; V37-L54 HydrophobicContact CG2-CD1 3.99Å; V37-L54 HydrophobicContact CG2-CG 4.1Å
38I89.7Confident86.6Confident41 Ų4182.8 Ų82.821%0.2139%0.392CS..EExtended strand (participates in β ladder)trans-126106.7-178.1-54.8176.5000107.3R36 M40 A52 F53R36-I38 HydrophobicContact CG-CG1 4.16Å; I38-M40 HydrophobicContact CG2-CE 3.4Å; I38-M40 VanDerWaalsContact CG2-CE 3.4Å; I38-M40 HydrophobicContact CG2-SD 4.41Å; I38-A52 CarbonylContact O-C 3.47Å; I38-A52 VanDerWaalsContact O-CA 3.28Å; I38-A52 WeakPolarHBondContact O-CA 3.27Å; I38-A52 WeakPolarHBondContact O-CB 3.3Å; I38-F53 HydrophobicContact CB-CB 4.35Å; I38-F53 PolarHBondContact N-O 2.92Å; I38-F53 PolarHBondContact O-N 3.45Å
39L90.2Very high86.3Confident21 Ų2190.3 Ų90.311%0.1142%0.421CS..EExtended strand (participates in β ladder)trans-96.5124.9177.7-167.1157.6000109.4T19 L24 R41 A52T19-L39 WeakPolarHBondContact O-CD1 3.43Å; L24-L39 HydrophobicContact CD1-CD1 4.34Å; L39-R41 HydrophobicContact CD2-CG 3.25Å; L39-R41 PolarHBondContact O-N 3.49Å; L39-A52 HydrophobicContact CB-CB 4.41Å; L39-A52 HydrophobicContact CG-CB 4.38Å
40M88Confident86.1Confident60 Ų6089.3 Ų89.330%0.29641%0.41SS..EExtended strand (participates in β ladder)trans-87.4110.1-175.6-58.5-83.175.900108.5I38 R49 F51 F53I38-M40 HydrophobicContact CG2-CE 3.4Å; I38-M40 VanDerWaalsContact CG2-CE 3.4Å; I38-M40 HydrophobicContact CG2-SD 4.41Å; M40-R49 WeakPolarHBondContact O-CB 3.39Å; M40-R49 PolarHBondContact O-N 3.05Å; M40-F51 HydrophobicContact CB-CD2 3.87Å; M40-F51 HydrophobicContact CB-CE1 4.36Å; M40-F51 HydrophobicContact CB-CE2 3.54Å; M40-F51 HydrophobicContact CB-CG 4.44Å; M40-F51 HydrophobicContact CB-CZ 3.79Å; M40-F51 HydrophobicContact CG-CD2 3.72Å; M40-F51 HydrophobicContact CG-CE2 3.37Å; M40-F51 HydrophobicContact CG-CZ 4.09Å; M40-F51 PolarHBondContact N-O 3.25Å; M40-F51 VanDerWaalsContact N-O 3.13Å; M40-F51 HydrophobicContact SD-CE2 4.38Å; M40-F53 HydrophobicContact CG-CD2 4.09Å; M40-F53 HydrophobicContact CG-CE2 4.08Å; M40-F53 HydrophobicContact SD-CD2 4.31Å; M40-F53 HydrophobicContact SD-CE2 4.22Å
41R87.9Confident86.1Confident124 Ų12481.3 Ų81.347%0.46838%0.381SS..EExtended strand (participates in β ladder)trans-111.6146.7177.8-58.1-171.21761437.6110L39L39-R41 HydrophobicContact CD2-CG 3.25Å; L39-R41 PolarHBondContact O-N 3.49Å
42D85.2Confident86.2Confident55 Ų5579 Ų7929%0.29437%0.371SS..  trans-73.6133.9169.7-172.5-101.5000109.4E44 T45 K46 K47 R49D42-E44 PolarHBondContact OD1-N 3.24Å; D42-T45 WeakPolarHBondContact CB-OG1 3.42Å; D42-T45 PolarHBondContact OD1-N 2.81Å; D42-T45 PolarHBondContact OD1-OG1 3.4Å; D42-K46 WeakPolarHBondContact O-CA 3.36Å; D42-K46 PolarHBondContact O-N 2.99Å; D42-K47 WeakPolarHBondContact CB-O 3.41Å; D42-K47 PolarHBondContact N-O 2.76Å; D42-R49 HydrophobicContact CB-CG 4.36Å
43R77.4Confident86.2Confident240 Ų24080.5 Ų80.591%0.90637%0.374SS*.THydrogen-bonded Turntrans-77.3-29.7-174-66-179.778.4-166.74.2112
44E80.1Confident86.2Confident178 Ų17877.6 Ų77.683%0.83236%0.355SS*.THydrogen-bonded Turntrans-83-52-175.6-63.1-178.289.700110.8D42 K46D42-E44 PolarHBondContact OD1-N 3.24Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 2.83Å
45T78.4Confident86.2Confident76 Ų7678.2 Ų78.247%0.46636%0.358SS..THydrogen-bonded Turntrans-84.1-9.9-176.160.90000113.5D42 K47D42-T45 WeakPolarHBondContact CB-OG1 3.42Å; D42-T45 PolarHBondContact OD1-N 2.81Å; D42-T45 PolarHBondContact OD1-OG1 3.4Å; T45-K47 PolarHBondContact O-N 3.16Å; T45-K47 WeakPolarHBondContact OG1-CB 3.05Å; T45-K47 PolarHBondContact OG1-N 3.47Å
46K74.7Confident86.2Confident180 Ų18075.7 Ų75.778%0.78334%0.337SS*.  trans5410.8-167.6-61.7175.5-178.51730113.8D42 E44D42-K46 WeakPolarHBondContact O-CA 3.36Å; D42-K46 PolarHBondContact O-N 2.99Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 2.83Å
47K77.2Confident86.2Confident121 Ų12177.4 Ų77.453%0.52634%0.343SS..  trans-83.1139.9179.1-66.8174.6-175.1176.90109.1I17 D42 T45 R49I17-K47 HydrophobicContact CG2-CB 3.86Å; I17-K47 HydrophobicContact CG2-CG 4.06Å; D42-K47 WeakPolarHBondContact CB-O 3.41Å; D42-K47 PolarHBondContact N-O 2.76Å; T45-K47 PolarHBondContact O-N 3.16Å; T45-K47 WeakPolarHBondContact OG1-CB 3.05Å; T45-K47 PolarHBondContact OG1-N 3.47Å; K47-R49 PolarHBondContact O-N 3.33Å
48S79.9Confident86.1Confident14 Ų1483.8 Ų83.810%0.09837%0.366CS..EExtended strand (participates in β ladder)trans-63.4134.1171.9-52.60000109.4I17 G50I17-S48 PolarHBondContact O-OG 3.16Å; I17-S48 VanDerWaalsContact O-OG 3.11Å; S48-G50 PolarHBondContact O-N 3.21Å
49R83.4Confident86.1Confident158 Ų15885 Ų8560%0.59637%0.372SS*.EExtended strand (participates in β ladder)trans-672.8176.7-63.4-178.964.3-176.9-1.1113.3M40 D42 K47 F51M40-R49 WeakPolarHBondContact O-CB 3.39Å; M40-R49 PolarHBondContact O-N 3.05Å; D42-R49 HydrophobicContact CB-CG 4.36Å; K47-R49 PolarHBondContact O-N 3.33Å; R49-F51 VanDerWaalsContact C-N 3.32Å; R49-F51 HydrophobicContact CB-CD1 3.7Å; R49-F51 HydrophobicContact CB-CE1 3.39Å; R49-F51 HydrophobicContact CB-CZ 4.23Å; R49-F51 HydrophobicContact CG-CE1 4.26Å; R49-F51 WeakPolarHBondContact O-CD1 3.32Å
50G87.2Confident86.2Confident14 Ų1486.6 Ų86.614%0.14439%0.389CS..EExtended strand (participates in β ladder)trans77.115.4-178.400000114.1G13 G14 L15 S48G13-G50 CarbonylContact C-O 3.57Å; G14-G50 PolarHBondContact N-O 3.05Å; L15-G50 PolarHBondContact N-O 3.12Å; L15-G50 WeakPolarHBondContact O-CA 3.47Å; S48-G50 PolarHBondContact O-N 3.21Å
51F90.2Very high86.3Confident41 Ų4184.4 Ų84.418%0.1838%0.378CS..EExtended strand (participates in β ladder)trans-144.1155.217466.8-87.4000113.5F11 I12 M40 R49 F53F11-F51 HydrophobicContact CE2-CB 3.76Å; F11-F51 AromaticContact CE2-CD2 3.77Å; F11-F51 HydrophobicContact CE2-CD2 3.77Å; F11-F51 AromaticContact CE2-CG 3.99Å; F11-F51 HydrophobicContact CE2-CG 3.99Å; F11-F51 HydrophobicContact CZ-CB 3.93Å; F11-F51 HydrophobicContact CZ-CG 4.44Å; I12-F51 CarbonylContact O-C 3.49Å; I12-F51 WeakPolarHBondContact O-CA 3.34Å; I12-F51 VanDerWaalsContact O-CB 3.32Å; I12-F51 WeakPolarHBondContact O-CB 3.15Å; M40-F51 HydrophobicContact CB-CD2 3.87Å; M40-F51 HydrophobicContact CB-CE1 4.36Å; M40-F51 HydrophobicContact CB-CE2 3.54Å; M40-F51 HydrophobicContact CB-CG 4.44Å; M40-F51 HydrophobicContact CB-CZ 3.79Å; M40-F51 HydrophobicContact CG-CD2 3.72Å; M40-F51 HydrophobicContact CG-CE2 3.37Å; M40-F51 HydrophobicContact CG-CZ 4.09Å; M40-F51 PolarHBondContact N-O 3.25Å; M40-F51 VanDerWaalsContact N-O 3.13Å; M40-F51 HydrophobicContact SD-CE2 4.38Å; R49-F51 VanDerWaalsContact C-N 3.32Å; R49-F51 HydrophobicContact CB-CD1 3.7Å; R49-F51 HydrophobicContact CB-CE1 3.39Å; R49-F51 HydrophobicContact CB-CZ 4.23Å; R49-F51 HydrophobicContact CG-CE1 4.26Å; R49-F51 WeakPolarHBondContact O-CD1 3.32Å; F51-F53 HydrophobicContact CD2-CE2 4.14Å; F51-F53 AromaticContact CE2-CE2 4Å; F51-F53 HydrophobicContact CE2-CE2 4Å
52A91.2Very high86.4Confident0 Ų078.7 Ų78.70%036%0.358CS..EExtended strand (participates in β ladder)trans-141.7157178.800000110.6I12 L15 L24 I38 L39I12-A52 PolarHBondContact N-O 3.3Å; I12-A52 PolarHBondContact O-N 3.42Å; L15-A52 HydrophobicContact CD1-CB 3.72Å; L24-A52 HydrophobicContact CD1-CB 3.46Å; L24-A52 VanDerWaalsContact CD1-CB 3.46Å; I38-A52 CarbonylContact O-C 3.47Å; I38-A52 VanDerWaalsContact O-CA 3.28Å; I38-A52 WeakPolarHBondContact O-CA 3.27Å; I38-A52 WeakPolarHBondContact O-CB 3.3Å; L39-A52 HydrophobicContact CB-CB 4.41Å; L39-A52 HydrophobicContact CG-CB 4.38Å
53F91.5Very high86.7Confident44 Ų4482 Ų8219%0.19337%0.37CS..EExtended strand (participates in β ladder)trans-111.6136.4167.8-64.2-81.7000109.1I10 F11 I38 M40 F51 A84I10-F53 WeakPolarHBondContact O-CA 3.35Å; F11-F53 HydrophobicContact CB-CD1 4.32Å; F11-F53 HydrophobicContact CB-CE1 4.18Å; F11-F53 HydrophobicContact CD2-CD1 4.2Å; F11-F53 AromaticContact CD2-CE1 3.62Å; F11-F53 HydrophobicContact CD2-CE1 3.62Å; F11-F53 AromaticContact CD2-CZ 3.92Å; F11-F53 HydrophobicContact CD2-CZ 3.92Å; F11-F53 HydrophobicContact CE2-CZ 4.45Å; F11-F53 HydrophobicContact CG-CE1 4.39Å; I38-F53 HydrophobicContact CB-CB 4.35Å; I38-F53 PolarHBondContact N-O 2.92Å; I38-F53 PolarHBondContact O-N 3.45Å; M40-F53 HydrophobicContact CG-CD2 4.09Å; M40-F53 HydrophobicContact CG-CE2 4.08Å; M40-F53 HydrophobicContact SD-CD2 4.31Å; M40-F53 HydrophobicContact SD-CE2 4.22Å; F51-F53 HydrophobicContact CD2-CE2 4.14Å; F51-F53 AromaticContact CE2-CE2 4Å; F51-F53 HydrophobicContact CE2-CE2 4Å; F53-A84 HydrophobicContact CD1-CB 4.17Å; F53-A84 HydrophobicContact CE1-CB 4.43Å
54L92Very high87.3Confident0 Ų074.4 Ų74.40%035%0.347CS..EExtended strand (participates in β ladder)trans-127.2133.4176.3-173.9156.2000108.5K9 I10 I12 F28 V34 R36 V37 F56K9-L54 CarbonylContact C-O 3.56Å; K9-L54 WeakPolarHBondContact CA-O 3.22Å; I10-L54 HydrophobicContact CD1-CB 4.07Å; I10-L54 HydrophobicContact CD1-CD2 4.18Å; I10-L54 HydrophobicContact CG1-CB 3.73Å; I10-L54 HydrophobicContact CG1-CD2 4.1Å; I10-L54 VanDerWaalsContact CG1-O 3.3Å; I10-L54 WeakPolarHBondContact CG1-O 3.44Å; I10-L54 PolarHBondContact N-O 2.98Å; I10-L54 PolarHBondContact O-N 2.92Å; I12-L54 HydrophobicContact CD1-CB 3.91Å; I12-L54 HydrophobicContact CD1-CD1 4.34Å; F28-L54 HydrophobicContact CB-CD1 3.48Å; F28-L54 VanDerWaalsContact CB-CD1 3.48Å; F28-L54 HydrophobicContact CD1-CD1 4.47Å; F28-L54 HydrophobicContact CD2-CD1 4Å; F28-L54 HydrophobicContact CG-CD1 3.73Å; V34-L54 HydrophobicContact CB-CD2 4.47Å; V34-L54 HydrophobicContact CG1-CD1 3.95Å; V34-L54 HydrophobicContact CG1-CD2 3.75Å; V34-L54 HydrophobicContact CG1-CG 3.66Å; V34-L54 HydrophobicContact CG2-CD1 4.24Å; V34-L54 HydrophobicContact CG2-CD2 4.12Å; R36-L54 CarbonylContact O-C 3.56Å; R36-L54 WeakPolarHBondContact O-CA 3.42Å; V37-L54 HydrophobicContact CG2-CD1 3.99Å; V37-L54 HydrophobicContact CG2-CG 4.1Å; L54-F56 HydrophobicContact CD2-CD1 4.13Å; L54-F56 HydrophobicContact CD2-CD2 3.46Å; L54-F56 VanDerWaalsContact CD2-CD2 3.46Å; L54-F56 HydrophobicContact CD2-CE1 4Å; L54-F56 HydrophobicContact CD2-CE2 3.35Å; L54-F56 HydrophobicContact CD2-CG 3.89Å; L54-F56 HydrophobicContact CD2-CZ 3.63Å
55T91.1Very high87.9Confident41 Ų4166 Ų6625%0.25231%0.307SS..EExtended strand (participates in β ladder)trans-109.5120.2176.2-55.30000107.9A35 R36A35-T55 WeakPolarHBondContact CA-O 3.33Å; A35-T55 HydrophobicContact CB-CG2 4.26Å; A35-T55 WeakPolarHBondContact CB-O 3.38Å; A35-T55 PolarHBondContact N-O 2.74Å; R36-T55 PolarHBondContact N-O 2.79Å; R36-T55 VanDerWaalsContact N-O 3.11Å; R36-T55 PolarHBondContact O-N 3.11Å
56F92.6Very high88.5Confident6 Ų664.1 Ų64.13%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-85.7155.2170.3-74.6-81.8000110.9G8 I10 F28 F31 V34 L54 R58 D61 A62 A65G8-F56 PolarHBondContact O-N 2.83Å; I10-F56 HydrophobicContact CD1-CD2 4.45Å; I10-F56 HydrophobicContact CD1-CE2 3.64Å; I10-F56 HydrophobicContact CD1-CZ 4.46Å; I10-F56 HydrophobicContact CG1-CD2 4.35Å; I10-F56 HydrophobicContact CG1-CE2 4Å; I10-F56 HydrophobicContact CG2-CD2 4.31Å; I10-F56 HydrophobicContact CG2-CE2 4.29Å; F28-F56 HydrophobicContact CB-CE1 4.46Å; F28-F56 HydrophobicContact CB-CZ 3.94Å; F28-F56 HydrophobicContact CD1-CE2 4.37Å; F28-F56 AromaticContact CD1-CZ 3.97Å; F28-F56 HydrophobicContact CD1-CZ 3.97Å; F28-F56 HydrophobicContact CG-CZ 4.43Å; F28-F56 WeakPolarHBondContact O-CE1 3.42Å; F31-F56 HydrophobicContact CB-CE1 4.48Å; V34-F56 HydrophobicContact CG2-CD1 4.29Å; V34-F56 HydrophobicContact CG2-CE1 3.99Å; L54-F56 HydrophobicContact CD2-CD1 4.13Å; L54-F56 HydrophobicContact CD2-CD2 3.46Å; L54-F56 VanDerWaalsContact CD2-CD2 3.46Å; L54-F56 HydrophobicContact CD2-CE1 4Å; L54-F56 HydrophobicContact CD2-CE2 3.35Å; L54-F56 HydrophobicContact CD2-CG 3.89Å; L54-F56 HydrophobicContact CD2-CZ 3.63Å; F56-R58 VanDerWaalsContact C-N 3.35Å; F56-R58 WeakPolarHBondContact CB-O 3.44Å; F56-D61 HydrophobicContact CD1-CB 4.13Å; F56-D61 HydrophobicContact CG-CB 4.49Å; F56-A62 HydrophobicContact CB-CB 4.14Å; F56-A62 VanDerWaalsContact CD2-CA 3.48Å; F56-A62 HydrophobicContact CD2-CB 3.56Å; F56-A62 HydrophobicContact CE2-CB 4.29Å; F56-A62 HydrophobicContact CG-CB 4.15Å; F56-A65 HydrophobicContact CE2-CB 3.82Å; F56-A65 HydrophobicContact CZ-CB 3.72Å
57R91Very high89.3Confident199 Ų19963.3 Ų63.375%0.75129%0.292SS*.SBendtrans-69.8-33.7169.2-68.9-168.5176-179.2-4112P33 A35P33-R57 HydrophobicContact CB-CB 4.37Å; P33-R57 HydrophobicContact CB-CG 4.24Å; P33-R57 HydrophobicContact CG-CB 4.09Å; P33-R57 HydrophobicContact CG-CG 4.49Å; P33-R57 PolarHBondContact O-N 3.02Å; A35-R57 HydrophobicContact CB-CG 3.93Å
58R90.1Very high89.9Confident146 Ų14662.7 Ų62.755%0.55129%0.291SS*.  trans-113.3139.1-179.1-53.617466.9-143.614.4111F56 A60 D61 A62F56-R58 VanDerWaalsContact C-N 3.35Å; F56-R58 WeakPolarHBondContact CB-O 3.44Å; R58-A60 VanDerWaalsContact C-N 3.33Å; R58-D61 HydrophobicContact CB-CB 4.45Å; R58-D61 WeakPolarHBondContact CB-OD2 3.39Å; R58-D61 WeakPolarHBondContact CD-OD2 3.24Å; R58-D61 IonicContact CZ-OD1 3.81Å; R58-D61 IonicContact NH1-OD1 3.75Å; R58-D61 PolarHBondContact NH1-OD1 2.87Å; R58-D61 IonicContact NH1-OD2 2.85Å; R58-A62 PolarHBondContact O-N 3.47Å
59L89.6Confident90.4Very high66 Ų6662.9 Ų62.935%0.34629%0.291SS..Hα-helixtrans-67-34.2174.917663.1000112.3P7 A62 K63P7-L59 HydrophobicContact CB-CD1 4.01Å; P7-L59 HydrophobicContact CB-CD2 4.09Å; P7-L59 HydrophobicContact CB-CG 4.46Å; L59-A62 WeakPolarHBondContact O-CB 3.42Å; L59-A62 PolarHBondContact O-N 3.4Å; L59-K63 HydrophobicContact CD1-CG 4.41Å; L59-K63 HydrophobicContact CG-CD 4.49Å; L59-K63 PolarHBondContact O-N 2.81Å
60A90.8Very high90.8Very high56 Ų5659.5 Ų59.546%0.46329%0.285SS..Hα-helixtrans-60.7-49.2179.800000111.3R58 A62 K63 N64R58-A60 VanDerWaalsContact C-N 3.33Å; A60-A62 VanDerWaalsContact C-N 3.3Å; A60-A62 PolarHBondContact O-N 2.94Å; A60-K63 PolarHBondContact O-N 2.79Å; A60-K63 VanDerWaalsContact O-N 3.15Å; A60-N64 PolarHBondContact O-N 3.45Å
61D91.1Very high90.8Very high13 Ų1360.9 Ų60.97%0.0730%0.299CS..Hα-helixtrans-61.4-39.5178.6-50.1-12.5000111.2F31 P33 F56 R58 K63 N64 A65F31-D61 WeakPolarHBondContact O-CB 3.45Å; P33-D61 WeakPolarHBondContact CD-OD2 3.48Å; F56-D61 HydrophobicContact CD1-CB 4.13Å; F56-D61 HydrophobicContact CG-CB 4.49Å; R58-D61 HydrophobicContact CB-CB 4.45Å; R58-D61 WeakPolarHBondContact CB-OD2 3.39Å; R58-D61 WeakPolarHBondContact CD-OD2 3.24Å; R58-D61 IonicContact CZ-OD1 3.81Å; R58-D61 IonicContact NH1-OD1 3.75Å; R58-D61 PolarHBondContact NH1-OD1 2.87Å; R58-D61 IonicContact NH1-OD2 2.85Å; D61-K63 PolarHBondContact O-N 2.76Å; D61-N64 PolarHBondContact O-N 2.88Å; D61-A65 VanDerWaalsContact O-CB 3.31Å; D61-A65 WeakPolarHBondContact O-CB 3.08Å; D61-A65 PolarHBondContact O-N 3.35Å
62A89.9Confident90.8Very high4 Ų461.4 Ų61.43%0.03331%0.305CS..Hα-helixtrans-61.5-43.7175.300000112.6I10 F56 R58 L59 A60 V66I10-A62 HydrophobicContact CG2-CB 3.87Å; F56-A62 HydrophobicContact CB-CB 4.14Å; F56-A62 VanDerWaalsContact CD2-CA 3.48Å; F56-A62 HydrophobicContact CD2-CB 3.56Å; F56-A62 HydrophobicContact CE2-CB 4.29Å; F56-A62 HydrophobicContact CG-CB 4.15Å; R58-A62 PolarHBondContact O-N 3.47Å; L59-A62 WeakPolarHBondContact O-CB 3.42Å; L59-A62 PolarHBondContact O-N 3.4Å; A60-A62 VanDerWaalsContact C-N 3.3Å; A60-A62 PolarHBondContact O-N 2.94Å; A62-V66 WeakPolarHBondContact O-CG2 3.4Å; A62-V66 PolarHBondContact O-N 2.8Å
63K90.1Very high90.6Very high126 Ų12666.4 Ų66.455%0.54833%0.331SS..Hα-helixtrans-65.8-42.2177-72.1-180177.6-177.70111.4L59 A60 D61 V66 K67L59-K63 HydrophobicContact CD1-CG 4.41Å; L59-K63 HydrophobicContact CG-CD 4.49Å; L59-K63 PolarHBondContact O-N 2.81Å; A60-K63 PolarHBondContact O-N 2.79Å; A60-K63 VanDerWaalsContact O-N 3.15Å; D61-K63 PolarHBondContact O-N 2.76Å; K63-V66 PolarHBondContact O-N 2.64Å; K63-K67 PolarHBondContact O-N 3.37Å; K63-K67 VanDerWaalsContact O-N 3.12Å
64N91.4Very high90.3Very high80 Ų8065.8 Ų65.843%0.42833%0.329SS..Hα-helixtrans-62.4-47.7177.2-165.936000111.2A60 D61 V66 K67 E68A60-N64 PolarHBondContact O-N 3.45Å; D61-N64 PolarHBondContact O-N 2.88Å; N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 PolarHBondContact O-N 3.35Å; N64-K67 PolarHBondContact O-N 3.04Å; N64-E68 WeakPolarHBondContact O-CG 3.4Å; N64-E68 PolarHBondContact O-N 3.23Å
65A91.2Very high89.8Confident0 Ų070.3 Ų70.30%035%0.353CS..Hα-helixtrans-59.7-37.7176.300000112.6F28 F31 F56 D61 K67 M69F28-A65 HydrophobicContact CD1-CB 4Å; F28-A65 HydrophobicContact CE1-CB 4.27Å; F31-A65 HydrophobicContact CB-CB 4.09Å; F31-A65 HydrophobicContact CD1-CB 4.34Å; F31-A65 HydrophobicContact CD2-CB 4.02Å; F31-A65 HydrophobicContact CG-CB 3.87Å; F56-A65 HydrophobicContact CE2-CB 3.82Å; F56-A65 HydrophobicContact CZ-CB 3.72Å; D61-A65 VanDerWaalsContact O-CB 3.31Å; D61-A65 WeakPolarHBondContact O-CB 3.08Å; D61-A65 PolarHBondContact O-N 3.35Å; A65-K67 VanDerWaalsContact C-N 3.34Å; A65-M69 WeakPolarHBondContact O-CB 3.39Å; A65-M69 PolarHBondContact O-N 2.86Å
66V91.7Very high89.6Confident37 Ų3771.7 Ų71.722%0.22438%0.376CS..Hα-helixtrans-64.1-39.3174.9171.20000111.4I10 A62 K63 N64 N70 V81I10-V66 HydrophobicContact CB-CG2 4.33Å; I10-V66 HydrophobicContact CG2-CG2 3.67Å; A62-V66 WeakPolarHBondContact O-CG2 3.4Å; A62-V66 PolarHBondContact O-N 2.8Å; K63-V66 PolarHBondContact O-N 2.64Å; N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 PolarHBondContact O-N 3.35Å; V66-N70 WeakPolarHBondContact O-CB 3.32Å; V66-N70 PolarHBondContact O-N 2.82Å; V66-V81 HydrophobicContact CB-CG1 4.34Å; V66-V81 HydrophobicContact CG2-CG1 3.91Å
67K91.1Very high89.3Confident164 Ų16475.5 Ų75.571%0.71339%0.393SS*.Hα-helixtrans-69.8-47.4-179.3-169.8-179.5176.4-170.10111.7K63 N64 A65K63-K67 PolarHBondContact O-N 3.37Å; K63-K67 VanDerWaalsContact O-N 3.12Å; N64-K67 PolarHBondContact O-N 3.04Å; A65-K67 VanDerWaalsContact C-N 3.34Å
68E91Very high89.3Confident107 Ų10775.1 Ų75.150%0.539%0.391SS..Hα-helixtrans-81.2-39.4-173.3-62.7-60.7103.700113F31 N64F31-E68 HydrophobicContact CE1-CB 3.56Å; F31-E68 HydrophobicContact CE1-CG 3.88Å; F31-E68 HydrophobicContact CZ-CB 3.86Å; N64-E68 WeakPolarHBondContact O-CG 3.4Å; N64-E68 PolarHBondContact O-N 3.23Å
69M89.5Confident89.5Confident18 Ų1868.2 Ų68.29%0.08937%0.365CS..Hα-helixtrans-87.1-8-175.1-63.1-61-5500113.9I27 F28 F31 A65 G71 V72 I79 V81I27-M69 HydrophobicContact CG2-CE 3.34Å; I27-M69 HydrophobicContact CG2-SD 4.02Å; F28-M69 HydrophobicContact CD1-CG 4.38Å; F28-M69 HydrophobicContact CE1-CB 3.95Å; F28-M69 HydrophobicContact CE1-CG 3.84Å; F28-M69 HydrophobicContact CZ-CB 4.11Å; F28-M69 HydrophobicContact CZ-CG 4.21Å; F31-M69 HydrophobicContact CD2-CG 4.33Å; F31-M69 HydrophobicContact CE2-CG 3.35Å; F31-M69 HydrophobicContact CE2-SD 3.5Å; F31-M69 VanDerWaalsContact CE2-SD 3.5Å; F31-M69 HydrophobicContact CZ-CG 3.5Å; F31-M69 HydrophobicContact CZ-SD 3.54Å; F31-M69 VanDerWaalsContact CZ-SD 3.54Å; A65-M69 WeakPolarHBondContact O-CB 3.39Å; A65-M69 PolarHBondContact O-N 2.86Å; M69-G71 PolarHBondContact O-N 2.88Å; M69-V72 HydrophobicContact CE-CB 4Å; M69-V72 HydrophobicContact CE-CG1 3.94Å; M69-V72 HydrophobicContact CE-CG2 4.03Å; M69-V72 PolarHBondContact O-N 3.39Å; M69-V72 HydrophobicContact SD-CG2 4.21Å; M69-I79 HydrophobicContact CB-CD1 4.47Å; M69-I79 HydrophobicContact CE-CD1 3.82Å; M69-I79 WeakPolarHBondContact O-CG1 3.41Å; M69-V81 HydrophobicContact CB-CB 4.48Å; M69-V81 HydrophobicContact CB-CG2 3.76Å; M69-V81 WeakPolarHBondContact O-CG2 3.47Å
70N91.2Very high89.6Confident88 Ų8871.5 Ų71.547%0.47138%0.377SS..THydrogen-bonded Turntrans-72.7113.2179.6178.648.4000110.9V66 V81V66-N70 WeakPolarHBondContact O-CB 3.32Å; V66-N70 PolarHBondContact O-N 2.82Å; N70-V81 HydrophobicContact CB-CB 4.35Å; N70-V81 PolarHBondContact OD1-N 3Å
71G89.1Confident89.7Confident42 Ų4269 Ų6943%0.43336%0.355SS..THydrogen-bonded Turntrans98.1-2.1-179.200000114.8M69 I79M69-G71 PolarHBondContact O-N 2.88Å; G71-I79 WeakPolarHBondContact CA-O 3.43Å; G71-I79 PolarHBondContact N-O 3.46Å
72V88.6Confident89.6Confident53 Ų5374.3 Ų74.332%0.32138%0.378SS..  trans-62.8142.1177174.50000110.7M69 R78 I79M69-V72 HydrophobicContact CE-CB 4Å; M69-V72 HydrophobicContact CE-CG1 3.94Å; M69-V72 HydrophobicContact CE-CG2 4.03Å; M69-V72 PolarHBondContact O-N 3.39Å; M69-V72 HydrophobicContact SD-CG2 4.21Å; V72-R78 WeakPolarHBondContact O-CA 3.49Å; V72-I79 HydrophobicContact CB-CD1 4.25Å; V72-I79 HydrophobicContact CB-CG1 4.2Å; V72-I79 WeakPolarHBondContact O-CG1 3.4Å; V72-I79 PolarHBondContact O-N 2.79Å
73I88.2Confident89.5Confident104 Ų10477.5 Ų77.553%0.53339%0.392SS..EExtended strand (participates in β ladder)trans-89115.7174.7-60.8168.7000108K77 R78I73-K77 CarbonylContact C-O 3.57Å; I73-K77 WeakPolarHBondContact CA-O 3.13Å; I73-R78 HydrophobicContact CD1-CG 4.43Å; I73-R78 HydrophobicContact CG1-CG 3.66Å
74L84.8Confident89.3Confident32 Ų3271.5 Ų71.517%0.16837%0.366CS..EExtended strand (participates in β ladder)trans-116.2123.1173.4-171.967.1000109.1L15 T19 I27 G76 K77 I79L15-L74 HydrophobicContact CD2-CD2 4.1Å; T19-L74 HydrophobicContact CG2-CD2 3.9Å; I27-L74 HydrophobicContact CD1-CD1 3.44Å; I27-L74 VanDerWaalsContact CD1-CD1 3.44Å; I27-L74 HydrophobicContact CD1-CD2 3.84Å; I27-L74 HydrophobicContact CD1-CG 4.3Å; L74-G76 PolarHBondContact O-N 2.94Å; L74-K77 PolarHBondContact N-O 2.8Å; L74-K77 PolarHBondContact O-N 2.78Å; L74-K77 VanDerWaalsContact O-O 3.14Å; L74-I79 HydrophobicContact CB-CG2 3.71Å
75D81.9Confident88.5Confident94 Ų9476.1 Ų76.150%0.50338%0.378SS..THydrogen-bonded Turntrans5539.3176.8-154.6-132000112.8N16 K77N16-D75 HydrophobicContact CB-CB 4.01Å; N16-D75 WeakPolarHBondContact CB-OD1 3.38Å; N16-D75 PolarHBondContact ND2-OD1 2.93Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 2.84Å
76G86.1Confident87.3Confident71 Ų7182.6 Ų82.673%0.73240%0.402SS*.THydrogen-bonded Turntrans78.62.7-178.300000115.6L74L74-G76 PolarHBondContact O-N 2.94Å
77K87.5Confident85.9Confident86 Ų8686 Ų8637%0.37443%0.426SS..EExtended strand (participates in β ladder)trans-119.6137.1178.9-69.9-179.9175.6172.40112.1G14 N16 I73 L74 D75 I79G14-K77 WeakPolarHBondContact O-CB 3.31Å; N16-K77 HydrophobicContact CB-CD 4.08Å; N16-K77 WeakPolarHBondContact OD1-CE 3.41Å; N16-K77 PolarHBondContact OD1-NZ 2.84Å; I73-K77 CarbonylContact C-O 3.57Å; I73-K77 WeakPolarHBondContact CA-O 3.13Å; L74-K77 PolarHBondContact N-O 2.8Å; L74-K77 PolarHBondContact O-N 2.78Å; L74-K77 VanDerWaalsContact O-O 3.14Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 2.84Å; K77-I79 PolarHBondContact O-N 3.11Å
78R91.1Very high83.9Confident191 Ų19181.8 Ų81.872%0.72142%0.416SS*.EExtended strand (participates in β ladder)trans-73.1120.3174.2-74.8-176.9170.6-166.1-3.1110.6V72 I73V72-R78 WeakPolarHBondContact O-CA 3.49Å; I73-R78 HydrophobicContact CD1-CG 4.43Å; I73-R78 HydrophobicContact CG1-CG 3.66Å
79I92.9Very high81.9Confident1 Ų179.2 Ų79.21%0.00541%0.41CS..  trans-86.7144.817776.3178.8000110.5G13 L15 M69 G71 V72 L74 K77 V81G13-I79 CarbonylContact O-C 3.56Å; G13-I79 VanDerWaalsContact O-CA 3.24Å; G13-I79 WeakPolarHBondContact O-CA 3.28Å; L15-I79 HydrophobicContact CD2-CG2 3.85Å; M69-I79 HydrophobicContact CB-CD1 4.47Å; M69-I79 HydrophobicContact CE-CD1 3.82Å; M69-I79 WeakPolarHBondContact O-CG1 3.41Å; G71-I79 WeakPolarHBondContact CA-O 3.43Å; G71-I79 PolarHBondContact N-O 3.46Å; V72-I79 HydrophobicContact CB-CD1 4.25Å; V72-I79 HydrophobicContact CB-CG1 4.2Å; V72-I79 WeakPolarHBondContact O-CG1 3.4Å; V72-I79 PolarHBondContact O-N 2.79Å; L74-I79 HydrophobicContact CB-CG2 3.71Å; K77-I79 PolarHBondContact O-N 3.11Å; I79-V81 HydrophobicContact CD1-CG2 4.06Å; I79-V81 HydrophobicContact CG1-CG2 4.16Å
80K92.1Very high80Confident135 Ų13587.5 Ų87.559%0.58745%0.454SS*.EExtended strand (participates in β ladder)trans-111.3118.4173.8-70-177.5178.6177.30108.4I12 G13I12-K80 CarbonylContact C-O 3.58Å; I12-K80 WeakPolarHBondContact CA-O 3.46Å; G13-K80 PolarHBondContact N-O 3.13Å; G13-K80 PolarHBondContact O-N 3.4Å
81V92.7Very high77.9Confident2 Ų292.1 Ų92.11%0.01247%0.473CS..EExtended strand (participates in β ladder)trans-110.4127.6178.6-170.30000108.7I10 F11 I12 F28 V66 M69 N70 I79I10-V81 HydrophobicContact CD1-CG1 4.01Å; F11-V81 CarbonylContact O-C 3.52Å; F11-V81 WeakPolarHBondContact O-CA 3.39Å; I12-V81 HydrophobicContact CG1-CG1 4.47Å; I12-V81 HydrophobicContact CG2-CG2 4.39Å; F28-V81 HydrophobicContact CE1-CG1 4.23Å; F28-V81 HydrophobicContact CE1-CG2 4.35Å; F28-V81 HydrophobicContact CZ-CG2 3.99Å; V66-V81 HydrophobicContact CB-CG1 4.34Å; V66-V81 HydrophobicContact CG2-CG1 3.91Å; M69-V81 HydrophobicContact CB-CB 4.48Å; M69-V81 HydrophobicContact CB-CG2 3.76Å; M69-V81 WeakPolarHBondContact O-CG2 3.47Å; N70-V81 HydrophobicContact CB-CB 4.35Å; N70-V81 PolarHBondContact OD1-N 3Å; I79-V81 HydrophobicContact CD1-CG2 4.06Å; I79-V81 HydrophobicContact CG1-CG2 4.16Å
82K89.9Confident75.6Confident126 Ų12693 Ų9355%0.54847%0.472SS..EExtended strand (participates in β ladder)trans-139.5160.1-178.7-65.8-170.2175.5-171.10110.4I10 F11 A84I10-K82 CarbonylContact C-O 3.57Å; I10-K82 WeakPolarHBondContact CA-O 3.38Å; F11-K82 HydrophobicContact CD1-CB 4.46Å; F11-K82 PolarHBondContact N-O 2.96Å; F11-K82 PolarHBondContact O-N 3.38Å; K82-A84 PolarHBondContact O-N 2.78Å
83Q87.9Confident73.5Confident70 Ų7094 Ų9433%0.32749%0.493SS..EExtended strand (participates in β ladder)trans-64.9133.3168.3-166.7167.9-0.400109.8N5 R85N5-Q83 VanDerWaalsContact CB-CD 3.5Å; N5-Q83 HydrophobicContact CB-CG 3.8Å; N5-Q83 PolarHBondContact ND2-NE2 2.92Å; N5-Q83 PolarHBondContact ND2-OE1 3.48Å; N5-Q83 VanDerWaalsContact ND2-OE1 3.16Å; Q83-R85 PolarHBondContact O-N 2.86Å
84A84.3Confident71.7Confident1 Ų194.5 Ų94.51%0.00851%0.506CS..EExtended strand (participates in β ladder)trans-75.7122.5-177.800000110.2K9 F11 F53 K82K9-A84 HydrophobicContact CB-CB 3.83Å; K9-A84 HydrophobicContact CD-CB 3.83Å; K9-A84 HydrophobicContact CG-CB 3.52Å; K9-A84 VanDerWaalsContact O-CB 3.31Å; K9-A84 WeakPolarHBondContact O-CB 3.41Å; K9-A84 PolarHBondContact O-N 3.26Å; F11-A84 HydrophobicContact CB-CB 4.49Å; F53-A84 HydrophobicContact CD1-CB 4.17Å; F53-A84 HydrophobicContact CE1-CB 4.43Å; K82-A84 PolarHBondContact O-N 2.78Å
85R75.8Confident70.1Confident177 Ų177100.2 Ų100.267%0.66853%0.529SS*.EExtended strand (participates in β ladder)trans-71.2139.5167.6-68.2-176.1162.5-167.2-7.1109E3 Q83E3-R85 IonicContact OE1-CZ 3.63Å; E3-R85 IonicContact OE1-NE 3.47Å; E3-R85 PolarHBondContact OE1-NE 3.38Å; E3-R85 IonicContact OE1-NH2 2.87Å; E3-R85 PolarHBondContact OE1-NH2 2.85Å; Q83-R85 PolarHBondContact O-N 2.86Å
86R66.1Low68.5Low135 Ų135105 Ų10551%0.50955%0.545SS..PPolyproline II helixtrans-56.6136.5165.1-75.3-175.1178.2-170.6-2107.6T4 Q6 S88T4-R86 WeakPolarHBondContact O-CG 3.34Å; Q6-R86 HydrophobicContact CG-CG 3.63Å; R86-S88 PolarHBondContact O-N 3.26Å
87P61.6Low66.5Low110 Ų110112.5 Ų112.571%0.71455%0.552SS**  trans-6492.9158.328.8-30000105.4S89P87-S89 PolarHBondContact O-N 2.87Å
88S50.5Low65.1Low74 Ų74112.6 Ų112.652%0.51756%0.561SS.*  trans-64.1103.5175.659.20000107.3R86R86-S88 PolarHBondContact O-N 3.26Å
89S47.3Very low63.2Low54 Ų54108.8 Ų108.838%0.37856%0.561SS.*  trans66.496.8156.7-66.10000118P87 E91 S92P87-S89 PolarHBondContact O-N 2.87Å; S89-E91 VanDerWaalsContact CA-N 3.3Å; S89-E91 PolarHBondContact OG-O 2.74Å; S89-S92 VanDerWaalsContact CB-N 3.29Å; S89-S92 WeakPolarHBondContact CB-OG 3.41Å; S89-S92 WeakPolarHBondContact OG-CB 3.49Å; S89-S92 PolarHBondContact OG-N 3.48Å; S89-S92 PolarHBondContact OG-OG 3.27Å
90L50.5Low60.7Low191 Ų191113.6 Ų113.6100%160%0.595SS**SBend-84.35.3123.7-97.2168.9000111.9
91E46.3Very low58.4Low186 Ų186113.9 Ų113.987%0.86960%0.596SS**SBendtrans-118.354.4168.8-104-166.693.700111.7S89S89-E91 VanDerWaalsContact CA-N 3.3Å; S89-E91 PolarHBondContact OG-O 2.74Å
92S42.5Very low56.2Low60 Ų60118.6 Ų118.642%0.4263%0.629SS.*  trans-142.585.1150.3-62.80000104.8S89 S94S89-S92 VanDerWaalsContact CB-N 3.29Å; S89-S92 WeakPolarHBondContact CB-OG 3.41Å; S89-S92 WeakPolarHBondContact OG-CB 3.49Å; S89-S92 PolarHBondContact OG-N 3.48Å; S89-S92 PolarHBondContact OG-OG 3.27Å; S92-S94 PolarHBondContact O-N 3.1Å
93G42.6Very low54.2Low74 Ų74122.3 Ų122.376%0.76364%0.64SS**SBendtrans-43.3123.1136.300000105.9
94S50.8Low52.1Low114 Ų114125 Ų12580%0.79766%0.662SS**  trans108.449.5-164.4-46.60000115.7S92S92-S94 PolarHBondContact O-N 3.1Å
95K52.8Low50Low152 Ų152136.4 Ų136.466%0.66170%0.704SS**SBendtrans-121.789.1146.5-77.6-179-178167.40109.4
96K47.7Very low48.1Very low194 Ų194131.8 Ų131.884%0.84371%0.711SS**  trans56.678158-68.1-180173.4179.70115.7
97R44.6Very low47.1Very low230 Ų230130.2 Ų130.287%0.86873%0.728SS**PPolyproline II helixtrans-55.7128.7130.6-66.8179.181.9115.9-2.5105.2
98P57.5Low46.1Very low87 Ų87130 Ų13057%0.56573%0.728SS**PPolyproline II helixtrans-53.3129.7170.922.3-30.1000107.2S100 F101P98-S100 PolarHBondContact O-N 3.22Å; P98-S100 VanDerWaalsContact O-N 3.14Å; P98-F101 HydrophobicContact CB-CE1 3.63Å; P98-F101 HydrophobicContact CB-CZ 4.13Å; P98-F101 HydrophobicContact CG-CE1 4.36Å; P98-F101 HydrophobicContact CG-CZ 4.39Å
99P51.1Low45.7Very low111 Ų111138 Ų13872%0.72175%0.747SS**PPolyproline II helixtrans-57.1126.7166.825.4-30.6000105.9F101P99-F101 PolarHBondContact O-N 3.31Å
100S39.6Very low45.6Very low103 Ų103142.3 Ų142.372%0.7277%0.765SS**  trans-9.793.9155.5169.80000111P98 S102P98-S100 PolarHBondContact O-N 3.22Å; P98-S100 VanDerWaalsContact O-N 3.14Å; S100-S102 PolarHBondContact O-N 3.18Å
101F43.5Very low45.5Very low140 Ų140140.5 Ų140.561%0.61476%0.755SS**  trans-77.289.3154.916.8-88.5000104.1P98 P99 R103P98-F101 HydrophobicContact CB-CE1 3.63Å; P98-F101 HydrophobicContact CB-CZ 4.13Å; P98-F101 HydrophobicContact CG-CE1 4.36Å; P98-F101 HydrophobicContact CG-CZ 4.39Å; P99-F101 PolarHBondContact O-N 3.31Å; F101-R103 HydrophobicContact CB-CB 4.39Å; F101-R103 HydrophobicContact CB-CG 3.82Å; F101-R103 PolarHBondContact O-N 3.19Å
102S46.6Very low45.1Very low101 Ų101141.1 Ų141.171%0.70676%0.755SS**  trans-45.867.7134.843.40000109.5S100 T104S100-S102 PolarHBondContact O-N 3.18Å; S102-T104 PolarHBondContact O-N 3.27Å
103R48Very low44.9Very low205 Ų205144.1 Ų144.177%0.77478%0.775SS**  trans-92.775.3161.8-79.5176.4-168.5-144.94.4106.1F101 R105F101-R103 HydrophobicContact CB-CB 4.39Å; F101-R103 HydrophobicContact CB-CG 3.82Å; F101-R103 PolarHBondContact O-N 3.19Å; R103-R105 PolarHBondContact O-N 3.05Å
104T45.1Very low44.9Very low127 Ų127144 Ų14478%0.77977%0.773SS**  trans-50.993.1139.2-61.20000107.1S102S102-T104 PolarHBondContact O-N 3.27Å
105R39.5Very low44.6Very low240 Ų240150.7 Ų150.791%0.90678%0.781SS**  trans171.8112.9154.8-103.4164.3-109.1-145.8-5.6110.2R103R103-R105 PolarHBondContact O-N 3.05Å
106G36.5Very low44.1Very low79 Ų79147.4 Ų147.481%0.81479%0.79SS**  trans111.848.6149.100000117.6
107A45.6Very low43.9Very low103 Ų103141.3 Ų141.385%0.85178%0.782SS**  trans-114.494.2143.200000107R109A107-R109 PolarHBondContact O-N 3.14Å
108S39.7Very low44Very low104 Ų104141 Ų14173%0.72778%0.781SS**  trans-39.4121.9168.3-47.20000110.8
109R42.2Very low43.4Very low242 Ų242141.4 Ų141.491%0.91379%0.786SS**  -159.786.4129.5-101.1-174-66.9-169.45.8108.2A107A107-R109 PolarHBondContact O-N 3.14Å
110I44.8Very low43.2Very low146 Ų146146.3 Ų146.375%0.74979%0.79SS**  trans-49152.6152.5-69.6152.7000108.2
111L48.8Very low43.9Very low152 Ų152146 Ų14680%0.79679%0.794SS**  trans99.770.7169.2-47179.9000116.1
112K38.1Very low44Very low200 Ų200150.3 Ų150.387%0.8781%0.806SS**  -51.7154128.9-173.1175.3174.686.40110.2
113C38.1Very low44.2Very low123 Ų123150.6 Ų150.683%0.83181%0.808SS**  trans77.1119.6-168.7-73.30000112.3
114G42.5Very low44.1Very low70 Ų70144.2 Ų144.272%0.72281%0.806SS**  cis131130.42000000107.4
115R44.8Very low44.5Very low255 Ų255144.4 Ų144.496%0.96281%0.81SS**  trans81.7108.2151.6-151.2171.4-171.5174.80.8118.9
116G41.3Very low44.7Very low84 Ų84138.3 Ų138.387%0.86680%0.804SS**  trans79.1132.5152.700000114.6
117G43.1Very low45Very low65 Ų65140.2 Ų140.267%0.6780%0.804SS**  cis158.9166.38.800000106.7
118R48Very low44.6Very low223 Ų223144.6 Ų144.684%0.84281%0.806SS**  trans87.678.5159.4-43.1173.5-154.1-107.44.6117.9
119S44.6Very low44.5Very low97 Ų97142.9 Ų142.968%0.67881%0.805SS**  67.5133.4117.4-450000121.4
120R47.5Very low44.9Very low214 Ų214138.9 Ų138.981%0.80880%0.802SS**  trans104.793.8151.9-63.1152.8-81.7-163.4-6.7112.8
121A53.1Low45Very low97 Ų97140.2 Ų140.280%0.80281%0.809SS**  101.5144.494.400000107.8
122R47.2Very low44.9Very low229 Ų229136.2 Ų136.286%0.86481%0.805SS**  cis-166.4146-0.4-142.5-177.8-176.3-166.7-0.5104.1
123S48.8Very low45.2Very low107 Ų107129.8 Ų129.875%0.74880%0.796SS**  trans75.2120.5148.7-460000120.1
124G47.5Very low45.9Very low71 Ų71130 Ų13073%0.73279%0.789SS**  trans-67.2-156.7153.800000111.9
125P53.5Low46.1Very low132 Ų132136.9 Ų136.986%0.85779%0.793SS**  cis-147.7-171.332.938.4-14.6000116
126S43.7Very low45.8Very low111 Ų111135.3 Ų135.378%0.77679%0.788SS**  trans-59.7153.9167.5-45.30000115.3
127C41.8Very low46.8Very low120 Ų120137.2 Ų137.281%0.81178%0.784SS**  trans160.5122133.561.70000107.4
128E37.6Very low47.6Very low194 Ų194138.9 Ų138.991%0.90778%0.783SS**  99.1129.278.1-167.6178.8103.600111.2
129G38.4Very low47.7Very low68 Ų68135.1 Ų135.170%0.70178%0.779SS**  trans80.6119.3154.100000118.3
130N49.5Very low47.8Very low159 Ų159138.8 Ų138.885%0.8578%0.783SS**  -168.7129.5104.7-148.3-74.4000111.8
131L47.6Very low48Very low173 Ų173135 Ų13591%0.90678%0.779SS**  trans-89.7121.1167-72.5158.9000107.8
132G47.1Very low47.9Very low68 Ų68136.4 Ų136.470%0.70178%0.777SS**  trans177.5106.7172.100000113.4
133G44.4Very low48Very low66 Ų66129.3 Ų129.368%0.6876%0.763SS**  73.1149.4121.700000119.6
134D52.5Low48Very low127 Ų127130 Ų13068%0.67977%0.768SS**  trans76.9108.2149.550.5-82.2000122.2
135R46.7Very low48.5Very low215 Ų215131.8 Ų131.881%0.81177%0.769SS**  76.498.6123.8-68.1-174.1-73.1-156-3.6118.3T137R135-T137 PolarHBondContact O-N 3.45Å
136Y38.3Very low48.5Very low221 Ų221129.5 Ų129.587%0.86777%0.769SS**  trans4.1104.9135.4-147.7-95.2000116.6
137T61.1Low49.1Very low125 Ų125133.6 Ų133.677%0.76777%0.768SS**  trans-140.6121.5156.151.80000108.5R135 N139R135-T137 PolarHBondContact O-N 3.45Å; T137-N139 PolarHBondContact O-N 3.37Å
138P61.2Low49.9Very low100 Ų100137.1 Ų137.165%0.64977%0.772SS**  trans-87.4105.5166.630.8-25.3000108.4F140P138-F140 PolarHBondContact O-N 2.73Å
139N48.7Very low50.7Low144 Ų144136.3 Ų136.377%0.7777%0.765SS**  trans-71.2116.3171-168.27.9000109.5T137 N141T137-N139 PolarHBondContact O-N 3.37Å; N139-N141 PolarHBondContact O-N 2.83Å
140F48.1Very low51.8Low173 Ų173137.4 Ų137.476%0.75977%0.768SS**  trans-76102.8172.433.9-89.2000108.8P138 V142P138-F140 PolarHBondContact O-N 2.73Å; F140-V142 PolarHBondContact O-N 3.33Å
141N50.2Low52.4Low135 Ų135135.8 Ų135.872%0.72276%0.764SS**  trans-74.690.2172.7-173.627.7000110.2N139 S143N139-N141 PolarHBondContact O-N 2.83Å; N141-S143 PolarHBondContact O-N 2.97Å; N141-S143 WeakPolarHBondContact OD1-CB 3.46Å; N141-S143 PolarHBondContact OD1-OG 3.37Å
142V52.4Low53.2Low127 Ų127137.2 Ų137.277%0.7776%0.763SS**  trans-83.588.116258.30000108.1F140F140-V142 PolarHBondContact O-N 3.33Å
143S48.5Very low54Low80 Ų80144.6 Ų144.656%0.55977%0.769SS**  trans-121.294.6172.1-75.40000110.2N141 S145N141-S143 PolarHBondContact O-N 2.97Å; N141-S143 WeakPolarHBondContact OD1-CB 3.46Å; N141-S143 PolarHBondContact OD1-OG 3.37Å; S143-S145 PolarHBondContact O-N 3.26Å
144S49.3Very low54.9Low121 Ų121148.5 Ų148.585%0.84678%0.775SS**  trans26.293.7134.1-530000116.4
145S58.7Low55.5Low109 Ų109148.2 Ų148.276%0.76278%0.779SS**  trans-131.981.6152.339.10000109.2S143 R147S143-S145 PolarHBondContact O-N 3.26Å; S145-R147 PolarHBondContact O-N 2.89Å
146G51.8Low56.2Low83 Ų83142.6 Ų142.686%0.85677%0.773SS**  trans-55.9117.1163.200000109.7
147R58.2Low57.2Low198 Ų198136.9 Ų136.975%0.74777%0.765SS**  trans-133.4100.7160-74.7-170.1178.3-124.6-1108.2S145 F149S145-R147 PolarHBondContact O-N 2.89Å; R147-F149 HydrophobicContact CB-CD2 4.39Å; R147-F149 HydrophobicContact CB-CE2 3.77Å; R147-F149 HydrophobicContact CB-CZ 4.08Å; R147-F149 VanDerWaalsContact O-CD2 3.31Å; R147-F149 WeakPolarHBondContact O-CD2 3.31Å; R147-F149 PolarHBondContact O-N 2.83Å
148H58.6Low57.2Low194 Ų194140.2 Ų140.290%0.89877%0.769SS**  trans-62.8108.9167.4-163.2-154.5000107.8
149F53Low57.1Low176 Ų176146.6 Ų146.677%0.77278%0.781SS**  trans-97.2109170.5-69.9-77.9000108.3R147 V151R147-F149 HydrophobicContact CB-CD2 4.39Å; R147-F149 HydrophobicContact CB-CE2 3.77Å; R147-F149 HydrophobicContact CB-CZ 4.08Å; R147-F149 VanDerWaalsContact O-CD2 3.31Å; R147-F149 WeakPolarHBondContact O-CD2 3.31Å; R147-F149 PolarHBondContact O-N 2.83Å; F149-V151 PolarHBondContact O-N 3.45Å
150A60.9Low57.9Low92 Ų92147.7 Ų147.776%0.7679%0.786SS**  trans-59.4121.3177.500000111K152A150-K152 PolarHBondContact O-N 3.38Å
151V63.9Low58.7Low124 Ų124146.4 Ų146.475%0.75279%0.788SS**  trans-73.7102.7167.958.60000108.8F149 R153F149-V151 PolarHBondContact O-N 3.45Å; V151-R153 HydrophobicContact CG2-CG 4.01Å; V151-R153 PolarHBondContact O-N 3.31Å; V151-R153 VanDerWaalsContact O-N 3.1Å
152K64.3Low59.9Low204 Ų204144.7 Ų144.789%0.88778%0.784SS**  trans-74.492.8163.3-99.7176168.9177.40108.1A150A150-K152 PolarHBondContact O-N 3.38Å
153R62.1Low60.9Low222 Ų222144.3 Ų144.384%0.83878%0.784SS**  trans-70.8122.8161.6-64.817681.5119.1-4.6106.9V151 P155V151-R153 HydrophobicContact CG2-CG 4.01Å; V151-R153 PolarHBondContact O-N 3.31Å; V151-R153 VanDerWaalsContact O-N 3.1Å; R153-P155 WeakPolarHBondContact O-CD 3.47Å
154N64.8Low61.8Low149 Ų149145.5 Ų145.580%0.79779%0.792SS**  trans-101.3112.5175.1-160.3-15.3000107.6
155P63.9Low62.8Low120 Ų120149.2 Ų149.278%0.77979%0.793SS**  trans-97.4108.1168.632.5-22000108.7R153R153-P155 WeakPolarHBondContact O-CD 3.47Å
156S61.6Low63.2Low97 Ų97159.3 Ų159.368%0.67881%0.814SS**  trans-146.5101.9165.7-124.40000107.4
157S59.8Low63.8Low101 Ų101163.1 Ų163.171%0.70681%0.812SS**  84.7104.281.973.40000111.5
158K61.6Low64.1Low195 Ų195161.3 Ų161.385%0.84882%0.816SS**  trans15897158.7-93.6166.6174.7173.50105.7
159R59.2Low64.4Low235 Ų235159.4 Ų159.489%0.88781%0.811SS**  40.796.867.9-68.1-161.1-78.3-171.8-3.9110.5
160D64.7Low65.1Low166 Ų166158.5 Ų158.589%0.88881%0.813SS**  trans-161.2144132.1-97.4-62.5000108.8
161D65.1Low65.3Low147 Ų147162.6 Ų162.679%0.78682%0.817SS**  trans-73.1157.8-155.7-129.8-113.8000115.3
162P75.8Confident65.4Low99 Ų99165.2 Ų165.264%0.64382%0.821SS**  trans-77.8-176.1157.138.7-31.8000108.8
163P72.1Confident65.5Low118 Ų118162.4 Ų162.477%0.76682%0.816SS**  cis-151.1-17028.939-13.9000116.7
164S68.2Low65.8Low105 Ų105157.8 Ų157.873%0.73482%0.815SS**  trans106.4103.9141.5-144.50000118.4
165K70.1Confident65.8Low199 Ų199158.6 Ų158.687%0.86582%0.816SS**  trans34.5122.2135.6-78-176.6173.1-177.40119
166R67.9Low66Low321 Ų321162.1 Ų162.1100%1.21182%0.819SS**  -136.70118.5-150.4171.7170.7-130.5-2.5109.5

Retrieved 166 of 166 residues in 57.6 ms (Link to these results)

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