A0A5K4F6B9_SCHMA Loading...

Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 AlphaSync

S-adenosyl-L-methionine-dependent methyltransferase that mediates RNA cap1 2'-O-ribose methylation to the 5'-cap structure of RNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1).

AlphaFold DB , UniProt , Accession A0A5K4F6B9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 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
1M83.2Confident94.6Very high242 Ų24298.7 Ų98.7100%1.19252%0.518SS*.  0148.60-76.5172.6134.600108.6
2A92.9Very high94.7Very high74 Ų7493.8 Ų93.861%0.61249%0.494SS*.  trans-75.7146.8177.600000111.4Y4A2-Y4 HydrophobicContact CB-CD2 4.43Å; A2-Y4 HydrophobicContact CB-CE2 3.75Å
3H94.7Very high94.8Very high62 Ų6289.8 Ų89.829%0.28748%0.476SS..  trans-111.3114.1176.1-173.880.8000109.9G5 S20 F21 F24H3-G5 PolarHBondContact CD2-N 2.77Å; H3-S20 PolarHBondContact CE1-OG 3.43Å; H3-S20 VanDerWaalsContact CE1-OG 3.31Å; H3-S20 PolarHBondContact NE2-O 3.24Å; H3-S20 PolarHBondContact NE2-OG 2.95Å; H3-F21 HydrophobicContact CB-CD2 4.2Å; H3-F21 AromaticContact CD2-CD2 3.8Å; H3-F21 PolarHBondContact NE2-N 3.06Å; H3-F24 HydrophobicContact CB-CD1 4.36Å
4Y96.5Very high94.9Very high145 Ų14589.3 Ų89.357%0.56947%0.468SS*.  trans-98.112-174.7-66.3-79.8000113.9A2 R8 D9 G10A2-Y4 HydrophobicContact CB-CD2 4.43Å; A2-Y4 HydrophobicContact CB-CE2 3.75Å; Y4-R8 WeakPolarHBondContact O-CA 3.24Å; Y4-R8 PolarHBondContact O-N 3.31Å; Y4-D9 PolarHBondContact O-N 2.72Å; Y4-G10 WeakPolarHBondContact O-CA 3.21Å; Y4-G10 PolarHBondContact O-N 3.04Å
5G95.9Very high95Very high11 Ų1194.7 Ų94.711%0.11348%0.48CS..  trans78.2-175.8-178.400000113.9H3 R8 N17H3-G5 PolarHBondContact CD2-N 2.77Å; G5-R8 PolarHBondContact O-N 3.29Å; G5-N17 WeakPolarHBondContact CA-OD1 3.14Å
6A96.6Very high95.1Very high59 Ų5991.4 Ų91.449%0.48847%0.468SS..SBendtrans-69.8-36.6-177.600000112.4R8 N17A6-R8 VanDerWaalsContact C-N 3.27Å; A6-R8 PolarHBondContact O-N 3.4Å; A6-N17 PolarHBondContact N-OD1 3.18Å
7E96.1Very high95.3Very high110 Ų11086.4 Ų86.451%0.51444%0.443SS..SBendtrans-81.2-9.2178.4-51.3-55.3145.700112.6D9 K14 S16 N17E7-D9 PolarHBondContact O-N 3.12Å; E7-K14 HydrophobicContact CG-CD 4.14Å; E7-S16 WeakPolarHBondContact CG-OG 3.24Å; E7-S16 PolarHBondContact OE1-OG 3.15Å; E7-N17 PolarHBondContact N-OD1 2.9Å
8R95.9Very high95.3Very high211 Ų21181.9 Ų81.980%0.79642%0.42SS*.SBendtrans62.717.9177.9-51.8177.262.4-179.8-0.7115.5Y4 G5 A6Y4-R8 WeakPolarHBondContact O-CA 3.24Å; Y4-R8 PolarHBondContact O-N 3.31Å; G5-R8 PolarHBondContact O-N 3.29Å; A6-R8 VanDerWaalsContact C-N 3.27Å; A6-R8 PolarHBondContact O-N 3.4Å
9D96.9Very high95.4Very high76 Ų7679.4 Ų79.441%0.40641%0.412SS..SBendtrans-101.7-9.2176.561.36.1000113.4Y4 E7 D11 K14 N17Y4-D9 PolarHBondContact O-N 2.72Å; E7-D9 PolarHBondContact O-N 3.12Å; D9-D11 PolarHBondContact O-N 2.92Å; D9-D11 WeakPolarHBondContact OD1-CB 3.5Å; D9-D11 PolarHBondContact OD1-N 3.11Å; D9-K14 WeakPolarHBondContact OD2-CE 3.21Å; D9-K14 IonicContact OD2-NZ 2.65Å; D9-K14 PolarHBondContact OD2-NZ 3.44Å; D9-N17 PolarHBondContact OD1-ND2 2.93Å
10G95.1Very high95.5Very high41 Ų4177 Ų7742%0.42340%0.403SS..  trans70.910.7-178.200000114.5Y4 V12Y4-G10 WeakPolarHBondContact O-CA 3.21Å; Y4-G10 PolarHBondContact O-N 3.04Å; G10-V12 PolarHBondContact O-N 3.32Å; G10-V12 VanDerWaalsContact O-N 3.1Å
11D96.6Very high95.5Very high55 Ų5576.3 Ų76.329%0.29440%0.397SS..  trans-72.2105.6-179.3-174.8-5.3000110.9D9 T13 K14 N17D9-D11 PolarHBondContact O-N 2.92Å; D9-D11 WeakPolarHBondContact OD1-CB 3.5Å; D9-D11 PolarHBondContact OD1-N 3.11Å; D11-T13 VanDerWaalsContact CG-OG1 3.23Å; D11-T13 PolarHBondContact O-N 2.94Å; D11-T13 VanDerWaalsContact OD1-CB 3.29Å; D11-T13 WeakPolarHBondContact OD1-CB 3.49Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.22Å; D11-T13 PolarHBondContact OD1-N 2.82Å; D11-T13 PolarHBondContact OD1-OG1 2.84Å; D11-T13 PolarHBondContact OD2-OG1 2.67Å; D11-K14 HydrophobicContact CB-CD 4.11Å; D11-K14 HydrophobicContact CB-CG 4.19Å; D11-K14 PolarHBondContact O-N 3.37Å; D11-K14 WeakPolarHBondContact OD2-CE 3.38Å; D11-N17 PolarHBondContact N-ND2 3.25Å; D11-N17 WeakPolarHBondContact O-CB 3.4Å; D11-N17 PolarHBondContact O-ND2 3.22Å
12V95.9Very high96.1Very high39 Ų3965.9 Ų65.924%0.23635%0.349CS..THydrogen-bonded Turntrans-66.2-16.7178.872.90000113.1G10 K14 L18 L59 C62 C66G10-V12 PolarHBondContact O-N 3.32Å; G10-V12 VanDerWaalsContact O-N 3.1Å; V12-K14 PolarHBondContact O-N 3.32Å; V12-L18 HydrophobicContact CG2-CD1 4.31Å; V12-L59 HydrophobicContact CG1-CD1 3.63Å; V12-C62 HydrophobicContact CG1-CB 4.17Å; V12-C62 HydrophobicContact CG2-CB 4.35Å; V12-C66 HydrophobicContact CG2-CB 4.45Å
13T95.6Very high96.3Very high43 Ų4365.2 Ų65.226%0.26434%0.339SS..THydrogen-bonded Turntrans-76.4-14.4178.774.90000113D11 Q58D11-T13 VanDerWaalsContact CG-OG1 3.23Å; D11-T13 PolarHBondContact O-N 2.94Å; D11-T13 VanDerWaalsContact OD1-CB 3.29Å; D11-T13 WeakPolarHBondContact OD1-CB 3.49Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.22Å; D11-T13 PolarHBondContact OD1-N 2.82Å; D11-T13 PolarHBondContact OD1-OG1 2.84Å; D11-T13 PolarHBondContact OD2-OG1 2.67Å; T13-Q58 HydrophobicContact CG2-CG 4.19Å
14K96.6Very high96.4Very high82 Ų8265.6 Ų65.636%0.35734%0.341SS..SBendtrans-90123175.1-61.7-178.7-177.1178.20110.6E7 D9 D11 V12 S16 N17 L18E7-K14 HydrophobicContact CG-CD 4.14Å; D9-K14 WeakPolarHBondContact OD2-CE 3.21Å; D9-K14 IonicContact OD2-NZ 2.65Å; D9-K14 PolarHBondContact OD2-NZ 3.44Å; D11-K14 HydrophobicContact CB-CD 4.11Å; D11-K14 HydrophobicContact CB-CG 4.19Å; D11-K14 PolarHBondContact O-N 3.37Å; D11-K14 WeakPolarHBondContact OD2-CE 3.38Å; V12-K14 PolarHBondContact O-N 3.32Å; K14-S16 VanDerWaalsContact C-N 3.27Å; K14-S16 PolarHBondContact O-N 3.31Å; K14-N17 HydrophobicContact CB-CB 4.43Å; K14-N17 PolarHBondContact O-N 3.37Å; K14-N17 VanDerWaalsContact O-N 3.17Å; K14-L18 PolarHBondContact O-N 3.02Å; K14-L18 VanDerWaalsContact O-N 3.14Å
15W96.2Very high96.3Very high171 Ų17159.7 Ų59.765%0.64832%0.318SS*.Hα-helixtrans-56.8-38.7177.7173.5-111000113N17 L18 A19 I69W15-N17 VanDerWaalsContact C-N 3.29Å; W15-N17 PolarHBondContact O-N 2.86Å; W15-L18 HydrophobicContact CE3-CD2 4.33Å; W15-L18 HydrophobicContact CZ3-CD2 4.34Å; W15-L18 PolarHBondContact O-N 3.33Å; W15-A19 HydrophobicContact CD2-CB 4.39Å; W15-A19 HydrophobicContact CZ2-CB 4.05Å; W15-A19 WeakPolarHBondContact O-CB 3.21Å; W15-A19 PolarHBondContact O-N 3.35Å; W15-I69 HydrophobicContact CH2-CD1 4.43Å; W15-I69 HydrophobicContact CZ3-CD1 3.96Å
16S97.4Very high96.3Very high42 Ų4259.7 Ų59.729%0.29432%0.318SS..Hα-helixtrans-59.8-38.7179.3560000112.3E7 K14 S20E7-S16 WeakPolarHBondContact CG-OG 3.24Å; E7-S16 PolarHBondContact OE1-OG 3.15Å; K14-S16 VanDerWaalsContact C-N 3.27Å; K14-S16 PolarHBondContact O-N 3.31Å; S16-S20 WeakPolarHBondContact O-CB 3.49Å; S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 VanDerWaalsContact O-N 3.12Å
17N97.4Very high96.3Very high6 Ų664.6 Ų64.63%0.03232%0.324CS..Hα-helixtrans-70.4-44.9174.6-70-21.7000112.2G5 A6 E7 D9 D11 K14 W15 S20 F21G5-N17 WeakPolarHBondContact CA-OD1 3.14Å; A6-N17 PolarHBondContact N-OD1 3.18Å; E7-N17 PolarHBondContact N-OD1 2.9Å; D9-N17 PolarHBondContact OD1-ND2 2.93Å; D11-N17 PolarHBondContact N-ND2 3.25Å; D11-N17 WeakPolarHBondContact O-CB 3.4Å; D11-N17 PolarHBondContact O-ND2 3.22Å; K14-N17 HydrophobicContact CB-CB 4.43Å; K14-N17 PolarHBondContact O-N 3.37Å; K14-N17 VanDerWaalsContact O-N 3.17Å; W15-N17 VanDerWaalsContact C-N 3.29Å; W15-N17 PolarHBondContact O-N 2.86Å; N17-S20 PolarHBondContact O-N 3.45Å; N17-F21 WeakPolarHBondContact O-CB 3.43Å; N17-F21 PolarHBondContact O-N 2.92Å
18L95.9Very high96.2Very high6 Ų663 Ų633%0.03133%0.325CS..Hα-helixtrans-64.3-44.3-179.3-174.159.2000112.3V12 K14 W15 F21 A22 L65 C66 I69V12-L18 HydrophobicContact CG2-CD1 4.31Å; K14-L18 PolarHBondContact O-N 3.02Å; K14-L18 VanDerWaalsContact O-N 3.14Å; W15-L18 HydrophobicContact CE3-CD2 4.33Å; W15-L18 HydrophobicContact CZ3-CD2 4.34Å; W15-L18 PolarHBondContact O-N 3.33Å; L18-F21 PolarHBondContact O-N 3.13Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.45Å; L18-L65 HydrophobicContact CD2-CB 4.41Å; L18-L65 HydrophobicContact CD2-CD2 3.7Å; L18-L65 HydrophobicContact CD2-CG 3.86Å; L18-C66 HydrophobicContact CD1-CB 3.62Å; L18-I69 HydrophobicContact CD2-CD1 3.84Å; L18-I69 HydrophobicContact CG-CD1 4.1Å
19A96.9Very high96.2Very high34 Ų3454.6 Ų54.628%0.28130%0.298SS..Hα-helixtrans-65.2-40.5176.400000111.8W15 A22 S23W15-A19 HydrophobicContact CD2-CB 4.39Å; W15-A19 HydrophobicContact CZ2-CB 4.05Å; W15-A19 WeakPolarHBondContact O-CB 3.21Å; W15-A19 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 2.85Å; A19-S23 WeakPolarHBondContact O-CB 3.49Å; A19-S23 PolarHBondContact O-N 2.86Å
20S97.2Very high96Very high31 Ų3158.3 Ų58.322%0.21732%0.317CS..Hα-helixtrans-61.4-43.9174.2177.20000111.5H3 S16 N17 S23 F24H3-S20 PolarHBondContact CE1-OG 3.43Å; H3-S20 VanDerWaalsContact CE1-OG 3.31Å; H3-S20 PolarHBondContact NE2-O 3.24Å; H3-S20 PolarHBondContact NE2-OG 2.95Å; S16-S20 WeakPolarHBondContact O-CB 3.49Å; S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 VanDerWaalsContact O-N 3.12Å; N17-S20 PolarHBondContact O-N 3.45Å; S20-S23 PolarHBondContact O-N 2.99Å; S20-F24 PolarHBondContact O-N 3.19Å
21F96.9Very high95.9Very high63 Ų6363 Ų6328%0.27633%0.333SS..Hα-helixtrans-64.1-44.4175.6-176.2-113.7000112.1H3 N17 L18 S23 F24 I25H3-F21 HydrophobicContact CB-CD2 4.2Å; H3-F21 AromaticContact CD2-CD2 3.8Å; H3-F21 PolarHBondContact NE2-N 3.06Å; N17-F21 WeakPolarHBondContact O-CB 3.43Å; N17-F21 PolarHBondContact O-N 2.92Å; L18-F21 PolarHBondContact O-N 3.13Å; F21-S23 VanDerWaalsContact C-N 3.33Å; F21-S23 PolarHBondContact O-N 3.5Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.34Å; F21-F24 VanDerWaalsContact O-N 3.15Å; F21-I25 HydrophobicContact CD1-CG1 4.36Å; F21-I25 HydrophobicContact CE1-CD1 4.48Å; F21-I25 HydrophobicContact CE1-CG1 4Å; F21-I25 HydrophobicContact CE2-CD1 4.14Å; F21-I25 HydrophobicContact CE2-CG1 4.16Å; F21-I25 HydrophobicContact CZ-CD1 3.92Å; F21-I25 HydrophobicContact CZ-CG1 3.9Å; F21-I25 WeakPolarHBondContact O-CG1 3.33Å; F21-I25 PolarHBondContact O-N 3.34Å
22A95.9Very high95.8Very high22 Ų2262.3 Ų62.318%0.18234%0.335CS..Hα-helixtrans-60-42.5175.800000112.7L18 A19 F24 I25 G26 I69 N70L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.45Å; A19-A22 PolarHBondContact O-N 2.85Å; A22-F24 VanDerWaalsContact C-N 3.32Å; A22-F24 PolarHBondContact O-N 3.11Å; A22-I25 PolarHBondContact O-N 3.45Å; A22-G26 PolarHBondContact O-N 2.93Å; A22-I69 HydrophobicContact CB-CG2 3.4Å; A22-N70 WeakPolarHBondContact CA-OD1 3.44Å
23S96.2Very high95.7Very high60 Ų6061.1 Ų61.142%0.4233%0.33SS..Hα-helixtrans-63-39.7175.2-169.30000112A19 S20 F21 R27A19-S23 WeakPolarHBondContact O-CB 3.49Å; A19-S23 PolarHBondContact O-N 2.86Å; S20-S23 PolarHBondContact O-N 2.99Å; F21-S23 VanDerWaalsContact C-N 3.33Å; F21-S23 PolarHBondContact O-N 3.5Å; S23-R27 WeakPolarHBondContact O-CG 3.47Å; S23-R27 PolarHBondContact O-N 3Å; S23-R27 VanDerWaalsContact O-N 3.13Å; S23-R27 PolarHBondContact OG-NH1 2.77Å
24F96.2Very high95.8Very high71 Ų7160.7 Ų60.731%0.31133%0.327SS..Hα-helixtrans-61.9-50.6173.6173-98.1000111.6H3 S20 F21 A22 G26 R27 S28H3-F24 HydrophobicContact CB-CD1 4.36Å; S20-F24 PolarHBondContact O-N 3.19Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.34Å; F21-F24 VanDerWaalsContact O-N 3.15Å; A22-F24 VanDerWaalsContact C-N 3.32Å; A22-F24 PolarHBondContact O-N 3.11Å; F24-G26 PolarHBondContact O-N 3.41Å; F24-R27 PolarHBondContact O-N 3.46Å; F24-S28 PolarHBondContact O-N 3.36Å; F24-S28 PolarHBondContact O-OG 2.84Å
25I96Very high95.7Very high20 Ų2063.7 Ų63.710%0.10334%0.343CS..Hα-helixtrans-60.5-44177.8-66-62000111.6F21 A22 R27 S28 T29 V34 N70F21-I25 HydrophobicContact CD1-CG1 4.36Å; F21-I25 HydrophobicContact CE1-CD1 4.48Å; F21-I25 HydrophobicContact CE1-CG1 4Å; F21-I25 HydrophobicContact CE2-CD1 4.14Å; F21-I25 HydrophobicContact CE2-CG1 4.16Å; F21-I25 HydrophobicContact CZ-CD1 3.92Å; F21-I25 HydrophobicContact CZ-CG1 3.9Å; F21-I25 WeakPolarHBondContact O-CG1 3.33Å; F21-I25 PolarHBondContact O-N 3.34Å; A22-I25 PolarHBondContact O-N 3.45Å; I25-R27 PolarHBondContact O-N 3.47Å; I25-S28 CarbonylContact O-C 3.6Å; I25-S28 PolarHBondContact O-N 3.37Å; I25-S28 VanDerWaalsContact O-N 3.15Å; I25-T29 HydrophobicContact CG2-CG2 4.15Å; I25-T29 WeakPolarHBondContact O-CB 3.39Å; I25-T29 WeakPolarHBondContact O-CG2 3.28Å; I25-T29 PolarHBondContact O-N 2.88Å; I25-T29 PolarHBondContact O-OG1 3.01Å; I25-V34 HydrophobicContact CD1-CG1 4.15Å; I25-V34 HydrophobicContact CG2-CG1 3.85Å; I25-N70 WeakPolarHBondContact CB-OD1 3.38Å; I25-N70 HydrophobicContact CG2-CB 4.44Å
26G95.6Very high95.6Very high11 Ų1161.9 Ų61.911%0.11334%0.344CS..Hα-helixtrans-56.9-48.9177.400000112.2A22 F24 S28 T29 N30 N31A22-G26 PolarHBondContact O-N 2.93Å; F24-G26 PolarHBondContact O-N 3.41Å; G26-S28 VanDerWaalsContact C-N 3.31Å; G26-S28 PolarHBondContact O-N 3.42Å; G26-T29 PolarHBondContact O-N 3.15Å; G26-N30 PolarHBondContact O-N 3.45Å; G26-N31 PolarHBondContact O-N 3.14Å; G26-N31 PolarHBondContact O-OD1 3.46Å
27R95.5Very high95.5Very high162 Ų16262 Ų6261%0.61134%0.341SS*.Hα-helixtrans-61.4-37.4175.3-73.1-169.6-64.4-87.6-4.2113S23 F24 I25S23-R27 WeakPolarHBondContact O-CG 3.47Å; S23-R27 PolarHBondContact O-N 3Å; S23-R27 VanDerWaalsContact O-N 3.13Å; S23-R27 PolarHBondContact OG-NH1 2.77Å; F24-R27 PolarHBondContact O-N 3.46Å; I25-R27 PolarHBondContact O-N 3.47Å
28S95Very high95.4Very high76 Ų7670 Ų7053%0.53138%0.38SS..Hα-helixtrans-80.7-14.7-178.2-640000114.4F24 I25 G26F24-S28 PolarHBondContact O-N 3.36Å; F24-S28 PolarHBondContact O-OG 2.84Å; I25-S28 CarbonylContact O-C 3.6Å; I25-S28 PolarHBondContact O-N 3.37Å; I25-S28 VanDerWaalsContact O-N 3.15Å; G26-S28 VanDerWaalsContact C-N 3.31Å; G26-S28 PolarHBondContact O-N 3.42Å
29T94.8Very high95.4Very high36 Ų3672.4 Ų72.422%0.22140%0.401CS..THydrogen-bonded Turntrans-120.916.4-174.760.20000113I25 G26 N31 A32 G33 V34I25-T29 HydrophobicContact CG2-CG2 4.15Å; I25-T29 WeakPolarHBondContact O-CB 3.39Å; I25-T29 WeakPolarHBondContact O-CG2 3.28Å; I25-T29 PolarHBondContact O-N 2.88Å; I25-T29 PolarHBondContact O-OG1 3.01Å; G26-T29 PolarHBondContact O-N 3.15Å; T29-N31 PolarHBondContact O-N 3.29Å; T29-A32 WeakPolarHBondContact O-CB 3.28Å; T29-A32 PolarHBondContact O-N 2.97Å; T29-G33 WeakPolarHBondContact OG1-CA 3.33Å; T29-G33 PolarHBondContact OG1-N 2.94Å; T29-V34 HydrophobicContact CG2-CG1 4.34Å
30N94Very high95.2Very high153 Ų15378.8 Ų78.882%0.81843%0.431SS*.THydrogen-bonded Turntrans49.441.7-172.6-65.9-18.8000112.2G26 A32G26-N30 PolarHBondContact O-N 3.45Å; N30-A32 PolarHBondContact O-N 3.47Å; N30-A32 VanDerWaalsContact O-N 3.11Å
31N92.8Very high94.9Very high140 Ų14078.8 Ų78.875%0.74944%0.435SS*.THydrogen-bonded Turntrans58.914.5-175.7-58.1-40.5000115.3G26 T29G26-N31 PolarHBondContact O-N 3.14Å; G26-N31 PolarHBondContact O-OD1 3.46Å; T29-N31 PolarHBondContact O-N 3.29Å
32A94.1Very high94.6Very high41 Ų4178.7 Ų78.734%0.33945%0.452SS..SBendtrans-78.6-24.8176.100000112.5T29 N30 R72T29-A32 WeakPolarHBondContact O-CB 3.28Å; T29-A32 PolarHBondContact O-N 2.97Å; N30-A32 PolarHBondContact O-N 3.47Å; N30-A32 VanDerWaalsContact O-N 3.11Å; A32-R72 VanDerWaalsContact O-CA 3.24Å; A32-R72 WeakPolarHBondContact O-CA 3.48Å; A32-R72 WeakPolarHBondContact O-CB 3.38Å; A32-R72 VanDerWaalsContact O-CG 3.24Å; A32-R72 WeakPolarHBondContact O-CG 3.47Å
33G94.8Very high94.3Very high13 Ų1381.9 Ų81.913%0.13446%0.462CS..  trans82.3178.1-171.500000113T29 N70T29-G33 WeakPolarHBondContact OG1-CA 3.33Å; T29-G33 PolarHBondContact OG1-N 2.94Å; G33-N70 CarbonylContact C-O 3.48Å; G33-N70 WeakPolarHBondContact CA-O 3.49Å
34V95.9Very high94Very high34 Ų3485.5 Ų85.521%0.20648%0.477CS..BIsolated β-bridgetrans-88.5148.5179-62.20000111.4I25 T29 I36 L37 N70 L71 R72I25-V34 HydrophobicContact CD1-CG1 4.15Å; I25-V34 HydrophobicContact CG2-CG1 3.85Å; T29-V34 HydrophobicContact CG2-CG1 4.34Å; V34-I36 WeakPolarHBondContact CG2-O 3.43Å; V34-L37 HydrophobicContact CG2-CB 4.16Å; V34-N70 HydrophobicContact CG2-CB 4.45Å; V34-N70 WeakPolarHBondContact CG2-O 3.29Å; V34-N70 PolarHBondContact N-O 2.94Å; V34-L71 HydrophobicContact CG2-CD2 4.29Å; V34-R72 PolarHBondContact O-N 3.37Å
35H95Very high93.5Very high146 Ų14682.6 Ų82.668%0.67647%0.465SS*.SBendtrans-71-35.8176.2-64.298.9000112.5R72H35-R72 PolarHBondContact NE2-NH1 3.03Å
36I95Very high93.1Very high132 Ų13286 Ų8668%0.67749%0.49SS*.  trans-138.7134.5-178.3-58.6177.3000107.5V34 M38V34-I36 WeakPolarHBondContact CG2-O 3.43Å; I36-M38 HydrophobicContact CG2-CG 4.25Å
37L95.5Very high92.6Very high45 Ų4590.6 Ų90.624%0.23652%0.521CS..  trans-119129.5169.7-174.9142.2000108.1V34 A39 A67 N70 L71V34-L37 HydrophobicContact CG2-CB 4.16Å; L37-A39 HydrophobicContact CD2-CB 4.33Å; L37-A67 HydrophobicContact CD2-CB 4.09Å; L37-N70 HydrophobicContact CD1-CB 3.95Å; L37-L71 HydrophobicContact CB-CD2 3.9Å; L37-L71 HydrophobicContact CB-CG 4.19Å
38M95.5Very high92.2Very high174 Ų17487.4 Ų87.486%0.85751%0.513SS*.  trans-110.6137.6176.7-70-177.8-82.900109.5I36I36-M38 HydrophobicContact CG2-CG 4.25Å
39A95.3Very high91.7Very high57 Ų5791.5 Ų91.547%0.47152%0.518SS..  trans-141.6133.5176.200000109.4L37 Q63L37-A39 HydrophobicContact CD2-CB 4.33Å; A39-Q63 HydrophobicContact CB-CB 4.04Å; A39-Q63 HydrophobicContact CB-CG 3.9Å
40N92.5Very high91.4Very high168 Ų16897.2 Ų97.290%0.89855%0.547SS*.  trans-143.540.2179.3-17228000110G42N40-G42 PolarHBondContact O-N 3.27Å
41G89.9Confident91.2Very high30 Ų3093.9 Ų93.931%0.30953%0.528SS..  trans-74.1128.8-177.100000111L59 Q63G41-L59 WeakPolarHBondContact O-CD2 3.41Å; G41-Q63 VanDerWaalsContact CA-NE2 3.34Å; G41-Q63 PolarHBondContact O-NE2 3.22Å; G41-Q63 VanDerWaalsContact O-NE2 3.14Å
42G90.7Very high91Very high61 Ų6190.2 Ų90.263%0.62951%0.507SS*.  trans-152.2160.1173.200000110.7N40N40-G42 PolarHBondContact O-N 3.27Å
43F89.8Confident90.5Very high90 Ų9097.9 Ų97.940%0.39553%0.527SS..  trans-138.8161.3176.752.9-91.6000109.6V45 I55 S56 L59F43-V45 HydrophobicContact CD2-CG1 3.71Å; F43-V45 HydrophobicContact CE2-CG1 3.46Å; F43-V45 VanDerWaalsContact CE2-CG1 3.46Å; F43-V45 HydrophobicContact CZ-CG1 4.4Å; F43-V45 PolarHBondContact O-N 3.42Å; F43-I55 HydrophobicContact CE2-CB 4.29Å; F43-I55 HydrophobicContact CE2-CG2 3.5Å; F43-I55 VanDerWaalsContact CE2-CG2 3.5Å; F43-I55 HydrophobicContact CZ-CB 4.29Å; F43-I55 HydrophobicContact CZ-CG2 3.68Å; F43-S56 WeakPolarHBondContact CE1-OG 3.45Å; F43-S56 WeakPolarHBondContact CZ-OG 3.35Å; F43-L59 HydrophobicContact CD1-CD2 3.69Å; F43-L59 HydrophobicContact CE1-CB 4.28Å; F43-L59 HydrophobicContact CE1-CD2 3.83Å
44N89.8Confident90.3Very high135 Ų135101.4 Ų101.472%0.72255%0.546SS*.  trans-65.9122.8-176.6-174.317.1000110.9S46N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 3.44Å; N44-S46 PolarHBondContact OD1-OG 3.1Å
45V86.7Confident90Very high11 Ų11103 Ų1037%0.06755%0.552CS.*  trans-126.923.5178.2-68.80000111F43 S47 Q48 Y49 Q52 I55F43-V45 HydrophobicContact CD2-CG1 3.71Å; F43-V45 HydrophobicContact CE2-CG1 3.46Å; F43-V45 VanDerWaalsContact CE2-CG1 3.46Å; F43-V45 HydrophobicContact CZ-CG1 4.4Å; F43-V45 PolarHBondContact O-N 3.42Å; V45-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact O-N 3.14Å; V45-Q48 CarbonylContact O-C 3.19Å; V45-Q48 PolarHBondContact O-N 3.26Å; V45-Y49 PolarHBondContact O-N 3.19Å; V45-Y49 VanDerWaalsContact O-N 3.08Å; V45-Q52 HydrophobicContact CB-CB 4.44Å; V45-Q52 HydrophobicContact CG2-CB 3.77Å; V45-Q52 HydrophobicContact CG2-CG 3.65Å; V45-I55 HydrophobicContact CG1-CD1 4.39Å
46S86.2Confident89.8Confident91 Ų9196 Ų9664%0.63652%0.52SS*.G310 helixtrans-54.8-34.7-173.358.40000113.9N44 Q48N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 3.44Å; N44-S46 PolarHBondContact OD1-OG 3.1Å; S46-Q48 VanDerWaalsContact C-N 3.29Å; S46-Q48 PolarHBondContact O-N 3.14Å
47S85.9Confident89.8Confident107 Ų10796.3 Ų96.375%0.74852%0.517SS*.G310 helixtrans-72-20.317858.60000114V45V45-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact O-N 3.14Å
48Q86.7Confident89.8Confident96 Ų9699.2 Ų99.245%0.44953%0.529SS..G310 helixtrans-14148.7-173.7-60.7-176.31600110.5V45 S46 N50 L51 Q52 I55V45-Q48 CarbonylContact O-C 3.19Å; V45-Q48 PolarHBondContact O-N 3.26Å; S46-Q48 VanDerWaalsContact C-N 3.29Å; S46-Q48 PolarHBondContact O-N 3.14Å; Q48-N50 VanDerWaalsContact C-N 3.25Å; Q48-N50 PolarHBondContact O-N 2.89Å; Q48-L51 HydrophobicContact CB-CB 4.16Å; Q48-L51 HydrophobicContact CB-CD1 4.33Å; Q48-L51 CarbonylContact O-C 3.52Å; Q48-L51 WeakPolarHBondContact O-CA 3.44Å; Q48-L51 PolarHBondContact O-N 3.36Å; Q48-Q52 PolarHBondContact O-N 3.31Å; Q48-I55 HydrophobicContact CB-CD1 3.89Å
49Y85.8Confident89.8Confident162 Ų16292.1 Ų92.164%0.63549%0.494SS*.G310 helixtrans-52.5-43.5-175.8-177.6-96.9000112.7V45 L51 Q52V45-Y49 PolarHBondContact O-N 3.19Å; V45-Y49 VanDerWaalsContact O-N 3.08Å; Y49-L51 PolarHBondContact O-N 2.84Å; Y49-L51 VanDerWaalsContact O-N 3.12Å; Y49-Q52 WeakPolarHBondContact O-CB 3.47Å; Y49-Q52 PolarHBondContact O-N 3.33Å
50N87.6Confident89.8Confident156 Ų15693.6 Ų93.683%0.83449%0.488SS*.G310 helixtrans-60.7-24.5178-64-18.6000113.2Q48Q48-N50 VanDerWaalsContact C-N 3.25Å; Q48-N50 PolarHBondContact O-N 2.89Å
51L90.5Very high89.9Confident82 Ų8291.4 Ų91.443%0.42948%0.476SS..G310 helixtrans-98.73.2179-60177.6000113Q48 Y49 R53 V54 I55Q48-L51 HydrophobicContact CB-CB 4.16Å; Q48-L51 HydrophobicContact CB-CD1 4.33Å; Q48-L51 CarbonylContact O-C 3.52Å; Q48-L51 WeakPolarHBondContact O-CA 3.44Å; Q48-L51 PolarHBondContact O-N 3.36Å; Y49-L51 PolarHBondContact O-N 2.84Å; Y49-L51 VanDerWaalsContact O-N 3.12Å; L51-R53 PolarHBondContact O-N 3.12Å; L51-R53 VanDerWaalsContact O-N 3.09Å; L51-V54 WeakPolarHBondContact O-CA 3.33Å; L51-V54 WeakPolarHBondContact O-CB 3.4Å; L51-V54 PolarHBondContact O-N 3.47Å; L51-I55 HydrophobicContact CB-CD1 3.92Å; L51-I55 HydrophobicContact CB-CG1 4.14Å; L51-I55 WeakPolarHBondContact O-CG1 3.26Å; L51-I55 PolarHBondContact O-N 2.9Å
52Q87.7Confident90.3Very high64 Ų6490.7 Ų90.730%0.29947%0.466SS..Hα-helixtrans-45.4-48.2-179.3176.6168.13500112.3V45 Q48 Y49 V54 I55 S56V45-Q52 HydrophobicContact CB-CB 4.44Å; V45-Q52 HydrophobicContact CG2-CB 3.77Å; V45-Q52 HydrophobicContact CG2-CG 3.65Å; Q48-Q52 PolarHBondContact O-N 3.31Å; Y49-Q52 WeakPolarHBondContact O-CB 3.47Å; Y49-Q52 PolarHBondContact O-N 3.33Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; Q52-V54 PolarHBondContact O-N 3.42Å; Q52-I55 PolarHBondContact O-N 3.5Å; Q52-S56 VanDerWaalsContact O-CB 3.26Å; Q52-S56 WeakPolarHBondContact O-CB 3.33Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 2.99Å; Q52-S56 VanDerWaalsContact O-OG 3.07Å
53R83.4Confident90.6Very high202 Ų20289.1 Ų89.176%0.76244%0.442SS*.Hα-helixtrans-60.8-40.9179.9-170.9-176.3-53.6-74-3.2112.7L51 K57L51-R53 PolarHBondContact O-N 3.12Å; L51-R53 VanDerWaalsContact O-N 3.09Å; R53-K57 PolarHBondContact O-N 2.97Å
54V90.2Very high90.9Very high87 Ų8788.5 Ų88.553%0.52745%0.448SS..Hα-helixtrans-70.5-43.7-178.9179.80000110.2L51 Q52 K57L51-V54 WeakPolarHBondContact O-CA 3.33Å; L51-V54 WeakPolarHBondContact O-CB 3.4Å; L51-V54 PolarHBondContact O-N 3.47Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; Q52-V54 PolarHBondContact O-N 3.42Å; V54-K57 WeakPolarHBondContact O-CB 3.46Å; V54-K57 WeakPolarHBondContact O-CD 3.39Å; V54-K57 WeakPolarHBondContact O-CG 3.46Å; V54-K57 PolarHBondContact O-N 3.48Å
55I89.5Confident91.2Very high67 Ų6785.3 Ų85.334%0.34443%0.431SS..Hα-helixtrans-71.3-41.2-177.8-53.6167000109.8F43 V45 Q48 L51 Q52 K57F43-I55 HydrophobicContact CE2-CB 4.29Å; F43-I55 HydrophobicContact CE2-CG2 3.5Å; F43-I55 VanDerWaalsContact CE2-CG2 3.5Å; F43-I55 HydrophobicContact CZ-CB 4.29Å; F43-I55 HydrophobicContact CZ-CG2 3.68Å; V45-I55 HydrophobicContact CG1-CD1 4.39Å; Q48-I55 HydrophobicContact CB-CD1 3.89Å; L51-I55 HydrophobicContact CB-CD1 3.92Å; L51-I55 HydrophobicContact CB-CG1 4.14Å; L51-I55 WeakPolarHBondContact O-CG1 3.26Å; L51-I55 PolarHBondContact O-N 2.9Å; Q52-I55 PolarHBondContact O-N 3.5Å; I55-K57 VanDerWaalsContact C-N 3.26Å; I55-K57 PolarHBondContact O-N 3.12Å
56S92.6Very high91.6Very high0 Ų085.3 Ų85.30%043%0.431CS..THydrogen-bonded Turntrans-79.91.5179.9-54.80000114.6F43 Q52 Q58 L59 Y60F43-S56 WeakPolarHBondContact CE1-OG 3.45Å; F43-S56 WeakPolarHBondContact CZ-OG 3.35Å; Q52-S56 VanDerWaalsContact O-CB 3.26Å; Q52-S56 WeakPolarHBondContact O-CB 3.33Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 2.99Å; Q52-S56 VanDerWaalsContact O-OG 3.07Å; S56-Q58 VanDerWaalsContact C-N 3.29Å; S56-Q58 PolarHBondContact O-N 3.09Å; S56-L59 PolarHBondContact O-N 3.25Å; S56-L59 VanDerWaalsContact O-N 3.11Å; S56-Y60 WeakPolarHBondContact O-CD2 3.17Å; S56-Y60 PolarHBondContact O-N 2.85Å
57K94.5Very high92.1Very high138 Ų13882.1 Ų82.160%0.641%0.41SS*.Hα-helixtrans-54.6-41.9-175.872.7-172167.669.40113.5R53 V54 I55 L61R53-K57 PolarHBondContact O-N 2.97Å; V54-K57 WeakPolarHBondContact O-CB 3.46Å; V54-K57 WeakPolarHBondContact O-CD 3.39Å; V54-K57 WeakPolarHBondContact O-CG 3.46Å; V54-K57 PolarHBondContact O-N 3.48Å; I55-K57 VanDerWaalsContact C-N 3.26Å; I55-K57 PolarHBondContact O-N 3.12Å; K57-L61 WeakPolarHBondContact O-CB 3.42Å; K57-L61 PolarHBondContact O-N 3.47Å
58Q94.9Very high92.6Very high106 Ų10683.8 Ų83.850%0.49541%0.41SS..Hα-helixtrans-68.2-44-179.2-178.3177.31.400110.4T13 S56 Y60 L61 C62T13-Q58 HydrophobicContact CG2-CG 4.19Å; S56-Q58 VanDerWaalsContact C-N 3.29Å; S56-Q58 PolarHBondContact O-N 3.09Å; Q58-Y60 PolarHBondContact O-N 3.37Å; Q58-L61 PolarHBondContact O-N 3.38Å; Q58-C62 WeakPolarHBondContact O-CB 3.37Å; Q58-C62 PolarHBondContact O-N 3.08Å; Q58-C62 PolarHBondContact O-SG 3.14Å
59L95.4Very high93Very high24 Ų2482.4 Ų82.413%0.12641%0.405CS..Hα-helixtrans-61.9-44.1178.6177.358.2000111.5V12 G41 F43 S56 C62 Q63V12-L59 HydrophobicContact CG1-CD1 3.63Å; G41-L59 WeakPolarHBondContact O-CD2 3.41Å; F43-L59 HydrophobicContact CD1-CD2 3.69Å; F43-L59 HydrophobicContact CE1-CB 4.28Å; F43-L59 HydrophobicContact CE1-CD2 3.83Å; S56-L59 PolarHBondContact O-N 3.25Å; S56-L59 VanDerWaalsContact O-N 3.11Å; L59-C62 PolarHBondContact O-N 2.93Å; L59-Q63 HydrophobicContact CD1-CG 4.4Å; L59-Q63 VanDerWaalsContact CG-NE2 3.33Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 2.87Å
60Y94.9Very high93.4Very high89 Ų8974.8 Ų74.835%0.34938%0.375SS..Hα-helixtrans-64.7-42.4175.9-61.8-33.2000112.5S56 Q58 C62 Q63 C64S56-Y60 WeakPolarHBondContact O-CD2 3.17Å; S56-Y60 PolarHBondContact O-N 2.85Å; Q58-Y60 PolarHBondContact O-N 3.37Å; Y60-C62 VanDerWaalsContact C-N 3.32Å; Y60-C62 PolarHBondContact O-N 2.92Å; Y60-Q63 PolarHBondContact O-N 3.07Å; Y60-C64 PolarHBondContact O-N 3.25Å; Y60-C64 PolarHBondContact O-SG 2.66Å; Y60-C64 VanDerWaalsContact O-SG 3.35Å
61L96.4Very high93.8Very high121 Ų12170.7 Ų70.763%0.63435%0.353SS*.Hα-helixtrans-59-44.7175.6-17865.4000111.3K57 Q58 C64 L65K57-L61 WeakPolarHBondContact O-CB 3.42Å; K57-L61 PolarHBondContact O-N 3.47Å; Q58-L61 PolarHBondContact O-N 3.38Å; L61-C64 PolarHBondContact O-N 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.31Å
62C97.1Very high94Very high15 Ų1572.7 Ų72.710%0.10136%0.355CS..Hα-helixtrans-68.3-35.2178.7-67.20000112.7V12 Q58 L59 Y60 L65 C66V12-C62 HydrophobicContact CG1-CB 4.17Å; V12-C62 HydrophobicContact CG2-CB 4.35Å; Q58-C62 WeakPolarHBondContact O-CB 3.37Å; Q58-C62 PolarHBondContact O-N 3.08Å; Q58-C62 PolarHBondContact O-SG 3.14Å; L59-C62 PolarHBondContact O-N 2.93Å; Y60-C62 VanDerWaalsContact C-N 3.32Å; Y60-C62 PolarHBondContact O-N 2.92Å; C62-L65 PolarHBondContact O-N 3.15Å; C62-C66 VanDerWaalsContact O-CB 3.28Å; C62-C66 WeakPolarHBondContact O-CB 3.12Å; C62-C66 PolarHBondContact O-N 3.24Å
63Q96.5Very high94Very high29 Ų2973.2 Ų73.214%0.13636%0.364CS..Hα-helixtrans-64-44.8172-73.8177.958.600111.6A39 G41 L59 Y60 C66 A67A39-Q63 HydrophobicContact CB-CB 4.04Å; A39-Q63 HydrophobicContact CB-CG 3.9Å; G41-Q63 VanDerWaalsContact CA-NE2 3.34Å; G41-Q63 PolarHBondContact O-NE2 3.22Å; G41-Q63 VanDerWaalsContact O-NE2 3.14Å; L59-Q63 HydrophobicContact CD1-CG 4.4Å; L59-Q63 VanDerWaalsContact CG-NE2 3.33Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 2.87Å; Y60-Q63 PolarHBondContact O-N 3.07Å; Q63-C66 WeakPolarHBondContact O-CB 3.46Å; Q63-C66 PolarHBondContact O-N 2.86Å; Q63-A67 PolarHBondContact O-N 3.11Å
64C96.5Very high93.7Very high76 Ų7668.9 Ų68.951%0.51437%0.371SS..Hα-helixtrans-62.6-44.6174.3-68.70000111.8Y60 L61 C66 A67 L68Y60-C64 PolarHBondContact O-N 3.25Å; Y60-C64 PolarHBondContact O-SG 2.66Å; Y60-C64 VanDerWaalsContact O-SG 3.35Å; L61-C64 PolarHBondContact O-N 3.25Å; C64-C66 VanDerWaalsContact C-N 3.31Å; C64-C66 PolarHBondContact O-N 3.19Å; C64-A67 WeakPolarHBondContact O-CB 3.41Å; C64-A67 PolarHBondContact O-N 3.03Å; C64-L68 WeakPolarHBondContact O-CG 3.34Å; C64-L68 PolarHBondContact O-N 3.37Å
65L96.2Very high92.6Very high68 Ų6871.6 Ų71.636%0.35638%0.381SS..Hα-helixtrans-61.4-41.1177-177.361.5000111.3L18 L61 C62 A67 L68 I69L18-L65 HydrophobicContact CD2-CB 4.41Å; L18-L65 HydrophobicContact CD2-CD2 3.7Å; L18-L65 HydrophobicContact CD2-CG 3.86Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.31Å; C62-L65 PolarHBondContact O-N 3.15Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.34Å; L65-L68 PolarHBondContact O-N 2.67Å; L65-I69 HydrophobicContact CD1-CD1 3.94Å; L65-I69 HydrophobicContact CD1-CG1 4.25Å; L65-I69 HydrophobicContact CD2-CD1 4.46Å; L65-I69 HydrophobicContact CG-CD1 3.76Å; L65-I69 HydrophobicContact CG-CG1 4.47Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.2Å; L65-I69 PolarHBondContact O-N 2.86Å
66C96.5Very high90.9Very high12 Ų1271.3 Ų71.38%0.08140%0.395CS..Hα-helixtrans-59.9-42.9174.7-170.80000112V12 L18 C62 Q63 C64 I69 N70V12-C66 HydrophobicContact CG2-CB 4.45Å; L18-C66 HydrophobicContact CD1-CB 3.62Å; C62-C66 VanDerWaalsContact O-CB 3.28Å; C62-C66 WeakPolarHBondContact O-CB 3.12Å; C62-C66 PolarHBondContact O-N 3.24Å; Q63-C66 WeakPolarHBondContact O-CB 3.46Å; Q63-C66 PolarHBondContact O-N 2.86Å; C64-C66 VanDerWaalsContact C-N 3.31Å; C64-C66 PolarHBondContact O-N 3.19Å; C66-I69 PolarHBondContact O-N 3.17Å; C66-N70 WeakPolarHBondContact O-CB 3.41Å; C66-N70 PolarHBondContact O-N 3.28Å; C66-N70 VanDerWaalsContact O-N 3.11Å; C66-N70 PolarHBondContact O-ND2 3.25Å
67A96.2Very high88.9Confident24 Ų2475 Ų7520%0.19842%0.42CS..Hα-helixtrans-59.5-49.7173.300000111.7L37 Q63 C64 L65 I69 N70 L71L37-A67 HydrophobicContact CD2-CB 4.09Å; Q63-A67 PolarHBondContact O-N 3.11Å; C64-A67 WeakPolarHBondContact O-CB 3.41Å; C64-A67 PolarHBondContact O-N 3.03Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.34Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 PolarHBondContact O-N 2.91Å; A67-N70 PolarHBondContact O-N 3.03Å; A67-L71 HydrophobicContact CB-CD1 3.87Å; A67-L71 WeakPolarHBondContact O-CB 3.29Å; A67-L71 WeakPolarHBondContact O-CD1 3.36Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.33Å
68L95.2Very high86.5Confident141 Ų14175.6 Ų75.674%0.73843%0.43SS*.Hα-helixtrans-61.5-34.9-179-68.9173.1000113.4C64 L65C64-L68 WeakPolarHBondContact O-CG 3.34Å; C64-L68 PolarHBondContact O-N 3.37Å; L65-L68 PolarHBondContact O-N 2.67Å
69I94.9Very high84.3Confident67 Ų6779.6 Ų79.634%0.34445%0.446SS..Hα-helixtrans-77.1-36.8-179.5-68.1167.5000111.9W15 L18 A22 L65 C66 A67W15-I69 HydrophobicContact CH2-CD1 4.43Å; W15-I69 HydrophobicContact CZ3-CD1 3.96Å; L18-I69 HydrophobicContact CD2-CD1 3.84Å; L18-I69 HydrophobicContact CG-CD1 4.1Å; A22-I69 HydrophobicContact CB-CG2 3.4Å; L65-I69 HydrophobicContact CD1-CD1 3.94Å; L65-I69 HydrophobicContact CD1-CG1 4.25Å; L65-I69 HydrophobicContact CD2-CD1 4.46Å; L65-I69 HydrophobicContact CG-CD1 3.76Å; L65-I69 HydrophobicContact CG-CG1 4.47Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.2Å; L65-I69 PolarHBondContact O-N 2.86Å; C66-I69 PolarHBondContact O-N 3.17Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 PolarHBondContact O-N 2.91Å
70N96Very high82Confident3 Ų383.2 Ų83.22%0.01648%0.479CS..Hα-helixtrans-105.1-18.9-166.3-68-80.7000114.4A22 I25 G33 V34 L37 C66 A67A22-N70 WeakPolarHBondContact CA-OD1 3.44Å; I25-N70 WeakPolarHBondContact CB-OD1 3.38Å; I25-N70 HydrophobicContact CG2-CB 4.44Å; G33-N70 CarbonylContact C-O 3.48Å; G33-N70 WeakPolarHBondContact CA-O 3.49Å; V34-N70 HydrophobicContact CG2-CB 4.45Å; V34-N70 WeakPolarHBondContact CG2-O 3.29Å; V34-N70 PolarHBondContact N-O 2.94Å; L37-N70 HydrophobicContact CD1-CB 3.95Å; C66-N70 WeakPolarHBondContact O-CB 3.41Å; C66-N70 PolarHBondContact O-N 3.28Å; C66-N70 VanDerWaalsContact O-N 3.11Å; C66-N70 PolarHBondContact O-ND2 3.25Å; A67-N70 PolarHBondContact O-N 3.03Å
71L95.7Very high79.5Confident70 Ų7084.6 Ų84.637%0.36649%0.493SS..BIsolated β-bridgetrans-72.8138.7179.9-76.1169.6000111.5V34 L37 A67V34-L71 HydrophobicContact CG2-CD2 4.29Å; L37-L71 HydrophobicContact CB-CD2 3.9Å; L37-L71 HydrophobicContact CB-CG 4.19Å; A67-L71 HydrophobicContact CB-CD1 3.87Å; A67-L71 WeakPolarHBondContact O-CB 3.29Å; A67-L71 WeakPolarHBondContact O-CD1 3.36Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.33Å
72R93.7Very high76.6Confident123 Ų12387.3 Ų87.346%0.46450%0.5SS..PPolyproline II helixtrans-64.9137.9170.4-178.4173.2179-172.92.4110.5A32 V34 H35 A74A32-R72 VanDerWaalsContact O-CA 3.24Å; A32-R72 WeakPolarHBondContact O-CA 3.48Å; A32-R72 WeakPolarHBondContact O-CB 3.38Å; A32-R72 VanDerWaalsContact O-CG 3.24Å; A32-R72 WeakPolarHBondContact O-CG 3.47Å; V34-R72 PolarHBondContact O-N 3.37Å; H35-R72 PolarHBondContact NE2-NH1 3.03Å; R72-A74 PolarHBondContact O-N 2.98Å
73P88.8Confident73.7Confident76 Ų76100.2 Ų100.249%0.49455%0.554SS.*PPolyproline II helixtrans-59.4131.1170.3-23.833.9000111.8
74A76.4Confident72.6Confident111 Ų111103.8 Ų103.892%0.91758%0.575SS**SBendtrans-69.7-31.2-179.900000113.1R72 G76R72-A74 PolarHBondContact O-N 2.98Å; A74-G76 PolarHBondContact O-N 3.22Å
75I67.7Low71.3Confident144 Ų144105.3 Ų105.374%0.73858%0.578SS**SBendtrans-71.4119.5168.2-70.9168.1000106.1S77I75-S77 VanDerWaalsContact C-N 3.32Å; I75-S77 PolarHBondContact O-N 3.43Å
76G54.1Low69.9Low60 Ų60107.3 Ų107.362%0.61959%0.59SS**  trans-51.396.4177.500000110.3A74 N78A74-G76 PolarHBondContact O-N 3.22Å; G76-N78 PolarHBondContact O-N 3.48Å
77S49.9Very low68.4Low77 Ų77112.9 Ų112.954%0.53862%0.62SS.*  trans-7181.3172.2-85.40000107.8I75 K79I75-S77 VanDerWaalsContact C-N 3.32Å; I75-S77 PolarHBondContact O-N 3.43Å; S77-K79 PolarHBondContact O-N 2.65Å; S77-K79 VanDerWaalsContact O-N 3.12Å
78N43.9Very low66.6Low151 Ų151118.5 Ų118.581%0.80765%0.647SS**  trans-76.450.1150.2-144.43.9000108.4G76G76-N78 PolarHBondContact O-N 3.48Å
79K47.9Very low64.7Low190 Ų190117 Ų11783%0.82664%0.641SS**  trans-113.165.1177.2-75.8-151.8178.7-171.90109.2S77S77-K79 PolarHBondContact O-N 2.65Å; S77-K79 VanDerWaalsContact O-N 3.12Å
80A47.5Very low62.6Low100 Ų100120.6 Ų120.683%0.82666%0.662SS**  trans16858.3146.600000110.2
81D42.2Very low60Low119 Ų119129.6 Ų129.664%0.63671%0.712SS**  trans-77.4139.1138.2176.632.5000106
82K35.8Very low57Low178 Ų178134.6 Ų134.677%0.77474%0.74SS**  trans84.180.8170.6-45.9-171.3-176.3-176.70119.8
83K36.5Very low53.7Low286 Ų286135.6 Ų135.6100%1.24377%0.765SS**  -159.40109.6-108.9-167.1-177.5-164.90111.4

Retrieved 83 of 83 residues in 35.1 ms (Link to these results)