Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)


Input alignment information:
Query sequenceMLLMSSKAELLNGMNPRQKEAVLHTDGPLLLMAGAGSGKTRVLTHRIAYLIEEKEVNPWNILAITFTNKAAKEMKERVNAILASGGEDVWVSTFHSMCVRILRRDVDFIGYNRNFTIIDSSEQLTLMKRILKELNIDPKKYDPRSILGTISQAKNSLQTPQDFAKMQGSYYEEIAAKCYAAYQKEFQYNQCMDFDDLIMNTIRLFEEHPDSLTYYQNKFHYIHVDEYQDTNHAQYTLVNLLAGRFRNLCVVGDADQSIYGWRGADMQNILDFEKDYPDAAVILLEQNYRSTKNILSAANQVIENNSNRKPKNLWTENKEGNKITYYRADNERDETRFIVDRMQEEIRSNHRNYGDFAILYRTNAQSRVMEETLLKANIPYKMVGGHKFYDRKEIKDILAYLNVLVNPQDSISFERIVNSPKRGIGPGSIEKLRSFASLHEWPLLEAAQN-VDLANIGGKAGQQLGAFGEMIQEVTQMIPYLTVTELTKEVLDRSGYLEDLKIQNTLEAQARIENLEEFLTVTQEFDKQFEQQNEEDADAPEEKLTVFLNDLALVSDIDNLEEDASQVTLMTLHAAKGLEFPVVFLIGLEEGVFPLSRALMEESELEEERRLAYVGITRAEEALYLTNAFSRTLYGRTQYNRPSRFVEEIDQELLEIEGMRPTPKKTPVFAKKTAYSYKQPETAVVPSKSATGGENNSWKPGDKVKHKKWGLGTVVRVSGTSKDLELDVAFPSQGVKRLLAAFAPIEKA
2IS2 Chain:A ((6-646))---------LLDSLNDKQREAVAAPRSNLLVLAGAGSGKTRVLVHRIAWLMSVENCSPYSIMAVTFTNKAAAEMRHRIGQLMGTSQGGMWVGTFHGLAHRLLRAHHMDANLPQDFQILDSEDQLRLLKRLIKAMNLDEKQWPPRQAMWYINSQKDEGLRPHHI-QSYGNPVEQTWQKVYQAYQEACDRAGLVDFAELLLRAHELWLNKPHILQHYRERFTNILVDEFQDTNNIQYAWIRLLAGDTGKVMIVGDDDQSIYGWRGAQVENIQRFLNDFPGAETIRLEQNYRSTSNILSAANALIENNNGRLGKKLWTDGADGEPISLYCAFNELDEARFVVNRIK-TWQDNGGALAECAILYRSNAQSRVLEEALLQASMPYRIYGGMRFFERQEIKDALSYLRLIVNRNDDAAFERVVNTPTRGIGDRTLDVVRQTSRDRQLTLWQACRELLQEKALAGRAASALQRFMELIDALAQETADMPLHVQTDRVIKDSGLRTMYEQEKGEKGQTRIENLEELVTATRQFSY--------DEDLM--PLQAFLSHAALEAGEGQADTWQDAVQLMTLHSAKGLEFPQVFIVGMEEGMFPSQMSLDEGGRLEEERRLAYVGVTRAMQKLTLTYAETRRLYGKEVYHRPSRFIGELPEECVEEVRL-----------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2IS2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3361 -180684 -53.76 -283.65
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -53.76
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.503

(partial model without unconserved sides chains):
PDB file : Tito_2IS2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2IS2-query.scw
PDB file : Tito_Scwrl_2IS2.pdb: