Research Article

In Silico Determination and Validation of Baumannii Acinetobactin Utilization A Structure and Ligand Binding Site

Table 3

Models built by various methods/servers and their evaluation results.

MethodOutlierAllowed regionFavored regionQmeanPROSAModel/tool (template)

Template1.4%6.6%92%0.508−4.623QLB
Homology modelling1.3%5.4%93.3%0.424−4.04ESyPred3D (3qlb)
Esy pred model by refine server1.3%4.6%94.0%0.429−3.94Esypred (3qlb)
Homology modelling1.8%7.0%91.2%0.401−3.07ESyPred3D
Homology modelling2.4%6.4%91.3%0.386−3.9(ps)2
Homology modelling3.2%7.6%89.2%0.398−3.16(Ps)2v2
Homology modelling3.3%7.3%89.3%0.359−1.98MODELLER (3qlb)
Homology modelling9.9%10.7%79.4%0.288−0.243D-JIGSAW (3qlb)
Fold recognition2.2%4.0%93.8%0.448−3.8SPARKSX1
Fold recognition2.4%5.0%92.7%0.412−3.03SPARKSX2
Fold recognition2.1%5.4%92.5%0.437−3.91SPARKSX3
Fold recognition2.6%4.8%92.5%0.394−3.97SPARKSX4
Fold recognition2.2%4.8%92.9%0.417−2.75SPARKSX5
Fold recognition2.5%6.4%91.1%0.358−1.75SPARKSX6
Fold recognition2.4%5.0%92.7%0.399−2.26SPARKSX7
Fold recognition3.0%5.8%91.1%0.352−1.79SPARKSX8
Fold recognition3.5%7.9%88.9%0.402−3.1SPARKSX9
Fold recognition3.3%5.1%91.6%0.364−1.78SPARKSX10
Fold recognition and ab initio 4.3%4.7%90.9%0.331−1.8Phyre2
Multiple-threading alignments2.8%5.4%91.8%0.426−3.5I-TASSER
Fold recognition4.8%7.4%87.8%0.329−0.57LOOPP1
Fold recognition7.3%8.8%83.9%0.3430.33LOOPP2
Fold recognition5.3%11.2%83.5%0.3091.13LOOPP3
Fold recognition5.8%8.5%85.7%0.2890.92LOOPP4
Fold recognition6.4%7.9%85.8%0.3091.25LOOPP5
Local meta-threading1.5%5.7%92.8%0.394−3.6LOMETS1
Local meta-threading2.9%5.4%92.4%0.374−3.81LOMETS2
Local meta-threading2.1%4.6%93.4%0.424−3.81LOMETS3
Local meta-threading1.8%5.0%93.2%0.419−4.03LOMETS4
Local meta-threading2.1%4.4%93.5%0.431−3.87LOMETS5
Local meta-threading1.8%5.1%93.1%0.417−3.96LOMETS6
Local meta-threading1.1%4.4%94.5%0.440−4.02LOMETS7
Local meta-threading1.8%5.1%93.1%0.417−3.96LOMETS8
Local meta-threading1.8%5.1%93.1%0.417−3.96LOMETS9
Local meta-threading2.1%5.0%92.9%0.401−3.22LOMETS10
Threading1.8%5.1%93.1%0.417−3.96MUSTER