Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MINEQRLLNTFLELVQIDSETGN----------ESTIQPILKEKFIALGLDVKEDEAAKHPKLGANNLVCTMNSTIEEGEVPKLYLTSHMDTVVPAINV------------------------------K---PIV------KDDGYIYSDGTTILGADDKAGLAAMLEVLQVIKEQQI-PHGQIQFVITVGEESGLIGAKELNSELLDADFGYAIDASADVGTTVVGAPTQMLISAKIIGKTAHASTP-KEGVSAINIAAKAISRMKLGQVDE-----ITTANIGKFHGGSATNIVADEVILEAEARSHDPERIKTQVKHMTDVFETTASELGG-KAEVTVEQS-YPGF-KINDNEAVVKIAQESARNLGLSANTIISGGGSDGSIINTFGIPSVILGVGYEKIHTTNERMPIKSLNLLASQVLEIIKIVARQSK |
3IFE Chain:A ((25-433)) | --MKEELIERFTRYVKIDTQSNEDSHTVPTTPGQIEFGKLLVEELKEVGLTEVTMD-------DNGYVMATLPANTD-KDVPVIGFLAHLDTATDFTGKNVKPQIHENFDGNAITLNEELNIVLTPEQFPELPSYKGHTIITTDGTTLLG-------ADDKAGLTEIMVAMNYLIHNPQIKHGKIRVAFTPDEEIGR-GPAHFDVEAFGASFAYMMDGGPL-GGLEYESFNAAGAKLTFNGTNTHPGTAKNKMRNATKLAMEFNGHLPVEEAPEYTEGYEGFYH------LLSLNGDVEQSKAYYIIRDFDRKNFEARKNTIENIVKQMQEKYGQDAVVLEMNDQYYNMLEKIEPVREIVDIAYEAMKSLNIEPNIHPIRGGTDGSQLSYMGLPTPNIFTGGENYHGKFEYVSVDVMEKAVQVIIEIARRFEEQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IFE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117265 for 2940 contacts (-39.9/contact) +
2D Compatibility (PS) -37721 + (NN) -12646 + (LL) 1608
1D Compatibility (HY) -9200 + (ID) 3500
Total energy: -178724.0 ( -60.79 by residue)
QMean score : 0.502
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