Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKCARLNDRIIHLHTYSREHYQFLFEEGIKGHLFCSHCGKPVLLRLNIADPPEFIHRQPGDFPACEEACEPKPSKEGKKEDDQESGVIRLPKGKAIAADPSPAVTEWHRPRSIKPGTPFVPKTIEPDTSLFPSVGLNTDQLKAVTETEGPLLVLAGAGSGKTRVLTARAAHMIEHLGIPPENMLLVTFTTKAVAEMKERMANQYGLQPAKVRRIVTGTFHSLFYKIL--YHSNSAKWNGEHLLKMEWQREQYIKKALYEEGIDEKESPVDQALQQIGFWKNTYVPNERI--PLKDEWEKQVYRLYEHYERQKKEHSQFDFDDMASACYELFIERPDLLEQYQSRFTYILIDEFQDINPVQYKIMQMLASPEQNLCCVGDDDQSIYAFRGSNPSFILDFQKDYPGAKTIYLTANYRSTHPIVSSADIVVKKNKNRYAKTLEAARDDIQVPVLFYPYDEEEEATMVVSDIKEKIQNGASPEDFAVLYRTNSGGRAIYERLHQSSIPYTADRGVQSFYSRRIVRQILAYLYASQNEDDTEAIKHLL--PALFLKQSALNTLKALSITEDCTMIKALAKLPDLKPF------QLDKIKKIVPFFASLRTMKPVEAITFAEGKMGFSEYLKKRG----NEGNKLEKGS---DDLRDIKVVAKKFKT------IPDFLAHVDHMRAAEKNRTDEHGVQLMTIHRSKGLEFKTVYVLGTVDGSIPHDFSLETARKGDEAALEEERRLLYVAMTRAKQHLYLSCPANRRGKTANRSRFLYPLLQKARQPLHH 2IS1 Chain:B ((10-619)) ---------------------------------------------------------------------------------------------------------------------------------------LNDKQREAVAAPRSNLLVLAGAGSGKTRVLVHRIAWLMSVENCSPYSIMAVTFTNKAAAEMRHRIGQLMGTSQGG---MWVGTFHGLAHRLLRAHHMDANLPQDFQILDSEDQL-RLLKRLIKAMNLDEKQWPPRQAMWYINSQKDEGLRPHHIQS-VEQTWQK----VYQAYQEACDRAGLVDFAELLLRAHELWLNKPHILQHYRERFTNILVDEFQDTNNIQYAWIRLLAGDTGKVMIVGDDDQSIYGWRGAQVENIQRFLNDFPGAETIRLEQNYRSTSNILSAANALIENNNGRLGKKLWTDGADGEPISLYCAFNELDEARFVVNRIKTWQDNGGALAECAILYRSNAQSRVLEEALLQASMPYRIYGGMR-FFERQEIKDALSYLRLIVNRNDDAAFERVVNTPTRGIGDRTLDVVRQTSRDRQLTLWQACRELLQEKALAGRAASALQRFMELIDALAQETADMPLHVQT--------DRVIKDSGLRTMYEQEKGEKGQTRIENLEELVTATRQFSYDEDLMPLQAFLSHAALEAGEG-----QDAVQLMTLHSAKGLEFPQVFIVGMEEGMFPSQM------R-----LEEERRLAYVGVTRAMQKLTLTYAETRR-----------------------

General information: TITO was launched using: RESULT: Template: 2IS1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2895 -258767 -89.38 -456.38 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -89.38 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_2IS1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IS1-query.scw PDB file : Tito_Scwrl_2IS1.pdb: