Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------MAFIPFKKSNK--CVVTDELFLEVTWEDGKPPEDDSELLGIIEGLEQQYLDSFQHSIEE---SLPYMTFQQAELLFQSLKDAYGHFQLKK-----VAICHLEGKQAVSEGEVFASPFIIDSR-----YQNLLLPLIQSIMIGPDFQSYTYQEKREYFVNQIYPAYKVSLGIQESALPLFPEEGEQIPLDNTFVANRRVASIPTTSSEPRKPNSSFSLKKVYLLMGFLATLAAGAMVSSVSLHAELSKQQEQVNYLYQEW--KDIQNLSDKEHQIDVFSRYFLPNYYSGKKENLSDFLSDGDA-KYTVPKEGSLQSVILEKVTYDAKTKHYQLTYVLTIKAKEQ----------LTSVRLEFEVKEQPSRKYGYVVTSEPKETPYLMKN----- |
4CVH Chain:A ((1-411)) | SMHPQAVAAVLPAGPTPKQFCPILERPLISYTLQALERVCWIKDIVVAVTGENMEVMKSIIQKYQHKRISLVEAGVTRHRSIFNGLKALAEDQINSKLSKPEVVIIHDAVRPFVEEGVLLKVVTAAKEHGAAGAIRPLVSTVVSPSADGCLDYSLERARHRASEMPQAFLFDVIYEAYQQCSDYDLEFGTECLQLALKYCCTK--AKLVEGSPDLWKVTYKRDLYAAESIIKERIS-------QEICVVMDTEEDNKHVGHLLEEVLKSELNHVKVTSEALDQCYNFVCVNVTTSDFQETQKLLSMLEESSLCILYPVVVVSVHFLDFKLVPPSQKMENLMQIREFAKEVKERNILLYGLLISYPQDDQKLQESLRQGAIIIASLIKERNSGLIGQLLIA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CVH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -8709 for 2593 contacts (-3.4/contact) +
2D Compatibility (PS) -36460 + (NN) -3538 + (LL) 1128
1D Compatibility (HY) -10800 + (ID) 2450
Total energy: -60829.0 ( -23.46 by residue)
QMean score : 0.168
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