Protein docking
1 like722 views
protein-protein docking
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7".80)1+:2$69+](https://image.slidesharecdn.com/proteindocking-171218202402/85/Protein-docking-3-320.jpg)
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Protein docking
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`'6?+7X<6.*;+' <6a)*+' ! J?+;5),');;+<<'/6'@ABA(' *+<6.*;+<' 5-"D*6#4+G"+A";6*+F"-+A2+5-"&60)H+ IJ'&K+ !! K5<.),5L):67' !! J.G<:/.:67' !! J/*.;/.*+'),5C79+7/' !! -696,6CD'96=+,57C' !! S6,+;.,)*'9+;2)75;<' !! J+;67=)*D'</*.;/.*+'?*+=<' !! [66?'96=+,57C' !! I6,=57C' !! (+<5C7' !! (6;O57C' !! S6,+;.,)*'=D7)95;<' IJ2K+ !! I.7;:67')7=',6;),5L):67' !! S+;2)75<9'=+/)5,<')7=' 9./):67),'b26/<?6/<c' !! de+;/<'68'9./):67' !! S6,+;.,)*'96:67<' !! S5<<57C'=+/)5,<'6*'b=5F;.,/c' </*.;/.*+<' !! 457=57C'?)*/7+*<'f,5C)7=<')7=' 9);*696,+;.,+<g' !! Y+,)/+='</*.;/.*+<' L)9M6-4+!"#$%&'(")'*+:6.J)0N%69+ C%&*0)6+ !Y+R5+'`')??,5;):67H')7:G6=D'96=+,57C' !S+/26=<')7='?*6/6;6,<' !Y5C5='R<3'h+Z5G,+' !M,6G),'R<3'?+*/.*G):67' !dR),.):67';*5/+*5)')7='R),5=):67' !-)7=<'67H')<<+9G,57C'?*6/+57';69?,+Z+<' O6B06M+ /0"*"12+ !"#$%&'(")'*+ S./):67<' J.G<:/.:67' A7<+*:67<'`'(+,+:67<' >69?)*):R+'S6=+,57C')7=" 6*'[66?'S6=+,57C' J/*.;/.*+'5/2'2696,6CD' >69?)*):R+'S6=+,57C' J/*.;/.*+'5/2'76'2696,6CD' J+;67=)*D'`'i+*:)*D' J/*.;/.*+'1*+=5;:67' Y+j7+'5/2'96,+;.,)*'9+;2)75;<'957595L):670' 96,+;.,)*'=D7)95;<'<59.,):670',66?'96=+,57C0')7="6*' Y6<+k)'Y+,)Z'
- 2. !"#$"%&' #' L$$*0.'(")4+L)(D";069+ I)G' I;' K-' K['K[' K-' >[' >[' >-%' >-%' >-#' >-#' >-N' >-N' 1)*)/6?+' L)(D";2+,&-%.&%-6+ I)G' I;' K-' K['K[' K-' >[' >[' >-%' >-%' >-#' >-#' >-N' >-N' 1)*)/6?+' IJ'&+&"+#";6*K+ P2$6-B'-0'D*6+-610")+ P2$6-B'-0'D*6+O610")+ QR+ P>+ Q>+ Q?+ PR+ P?+ Q>+ QR+ Q?+ P?+P>+ PR+ A";6*0)1+!")90;6-'(")9+ >67<+*R+='*+C567<' K)*5)G,+'*+C567<' K[XK-'6*5+7/):67' l'>)7675;),',66?<'[%0'[#0'[N0' -%0'-#';)7'G+'bC*)a+=c' -N'5<'67,D'67+'/2)/'7++=<'8.,,' ,66?'?*+=5;:67' -696,6CD'96=+,57C' [66?'96=+,57C"?*+=5;:67l' 1*6/+57X?*6/+57'=6;O57C' ')(D";2S1-'2*'DSEJ%S6;%+
- 3. !"#$"%&' N' O"96T'+5'$6-9+ A'.-"#"*6.%*'-+A";6*0)1+M0&J+O"96T'+ Y25m.'()<')7='()R5='4)O+*' B77.),'Y+R5+'68'456;2+95</*D0'!""#0'UU0'NTNXNP#' =65H%&3%%!T")77.*+R3G56;2+93$$3&T#U&T3%$%PNP' 5-'.(.'**2+V96W%*4+IJ'&+&J6+O"96T'+5-"&60)+A";6*0)1+ ,%0&6+!')+7"+W"-+X"%+ n*5<:)7'V3'n).89)770'M6*=67'-3'[+99670'J)9.+,'[3' (+[.;)0'o67)/2)7'-3'J2++2)70')7='o+7<'S+5,+*' 456;2+95</*D0'!"$"0'3Yf%!g0'#UP$p#UUP' (EAH'%&3%&#%"G5U&#%QNC' 5-"&60)+7".80)1+ IJ'&K+ !! I5/')',5C)7='57/6')' *+;+?/6*')7='<;6*+'5/' IJ2K+ !! S.,:X=69)57'?*6/+57<' !! >69?,+Z+<' !! A7=.;+='j/'f=5F;.,/g' [5C)7=' f<9),,+*g' Y+;+?/6*' f,)*C+*g' (6;O+='1)5*' Z)+16)6-'*4' q!1*6/+57';6786*9):67<'fG);OG67+g'=6'76/';2)7C+'.?67' )<<6;5):67' :J6-6W"-64' q!Y5C5='G);OG67+'=6;O57C'5<'*+)<67)G,+' q!J26*/0'h+Z5G,+'?+?:=+<'fr%&'*+<5=.+<g'9)D'76/'=6;O');;.*)/+,D' q!J26*/'?+?:=+<',);O'/+*:)*D'57/+*);:67<'25;2'</)G5,5L+'8.,,X <5L+'=69)57<'f$QX#Q&'*+<5=.+<g' P"M6B6-4' q![66?<'96R+0')<<.9+'7+'</*.;/.*+0')7='9)D';2)7C+')k);2+=' <+;67=)*D'</*.;/.*+0'+3C3'257C+<0'+/;3' /'90.+5-0).0$*69+ q! B/',+)</'%&%'()*'/2+'?*6/+57<'57/+*);/' q! A7C+7.5/D'1)/2)D<'B7),D<5<' f357C+7.5/D3;69g' q! 16/+7:),'A7/+*);:67<'68'1*6/+57<' f3G9935;7+/3.O"r?5?"g' q! ^<+'O767'</*.;/.*+<' q! [66?<'9.</'G+';67j=+7/,D'?*+=5;/+=' O6N%0-6#6)&9+[+!'B6'&9+ !J'-'.&6-09(.+"-+6$6-0#6)&'*+]8)"M)9^+ q!B7:G6=5+<' q!S./)C+7+<5<'f9)O+'<.*+'5/'5<'<?+;5j;g' q!>69?+::R+'5725G5/6*<' q!12D,6C+7+:;<'f<+].+7;+';67<+*R):67g' q!@SY';2+95;),'<25a<' 76901)'&6' q!A7/+*);:7C'*+<5=.+<' q!@67X57/+*);:7C'*+<5=.+<' q!(5</)7;+<'f9.,:X=69)57'?*6/+57<g' 7".80)1+!")9&-'0)&9+ :2$6+ ,0;6.J'0)9+ /'.8D")6+ Z);%.6;+_&K+ ,$66;+ Y5C5=' bI,+Z5G,+c' i*.+' I,+Z5G,+' SPEED" LIMIT" 75' SPEED" LIMIT" 45' SPEED" LIMIT" 25' 7".80)1+:2$69+
- 4. !"#$"%&' !' 7".80)1+5-"&"."*9+ 5-"&"."*+ `)"M)+ 7690-6;+ M,6G),' fb4,57=cg' 1+*/.*G):67' fb46.7=c0' b[6;),cg' JD99+/*5;' ''''''''''''''!'T&' A"B6+$'-&)6-9+ F0&+ V)D"%);+ 7".86;' O010;+a*"D'*+7".80)1+ /"%);+ 7".86;' A"B6+$'-&)6-9+ F0&+ O6'--')16+ F*60D*6+56-&%-D'(")+7".80)1+ F%))6*+5*"&9+ q!MYBSSXsl'fK)O<+*'+/'),'%UU#g' q!(Ei"(Ei#'fdD;O'+/'),'%UUQg' q!-ds'fY5/;25+'`'n+9?'%UUU0'+,-g' q!b7C!`cO7C!`l'f>2+7'`'V+7C'#&�'.))(/01%g' q!!*%95-"'f>69+).'+/'),'#&&$g' q!dJ>-dYX@M'fB.<5+,,6'+/'),'%UU$0'2,3.g' q!45MMdY'f1),9)'+/'),'#&&&0'45(6(07g' q!5'&.J7".8cF0-67".8'f(.26R7D'+/'),'#&&#g' q!-B((E>nl'f467R57'+/'),'#&&Ng' q!J966/2(6;O'f>)9);26'`'>2)9?'#&&Qg'' q!O"96T'7".8'f4)O+*'+/'),'#&&Ng' J+*R+*')R)5,)G,+' l'@A-' 7".80)1+,"dM'-6+ O010;+ ,0;6+ !J'0)9+ /'.8D")6+ V96+#')2+#6&J";9e+*""8+W"-+.")96)9%9+ >/O,+ /'-)'96+ /'-9&'-+ :"+a6&+&J6+O01J&+L)9M6-+
- 5. !"#$"%&' Q' 2k?H""3,6*5)38*"r*5/;25+="2+Zt<+*R+*' F6'&%-69' q!K+*D'8)</' q!Y5C5=' q!M,6G),' q!1+*/.*G):67' q!>67</*)57/<' q!>,.</+*+=' q!J/)7=),67+'M^A')R)5,)G,+' Pfg+ Pfg+ # Format: Cluster Solution RMS Etotal x y z alpha beta gamma # # ----------------------------------------------------------- # 1 1 -1.00 -674.37 -1.054082 1.148905 -1.898842 4.225601 0.043603 2.035036 2 7 -1.00 -466.95 6.391742 -3.586371 6.464341 0.549851 0.173942 5.910572 3 12 -1.00 -390.56 36.389814 6.091097 43.753908 0.636880 1.116722 6.004282 4 13 -1.00 -389.02 34.023469 32.042856 -29.317330 3.824875 1.208432 3.110588 5 14 -1.00 -376.53 -8.994166 38.182755 6.383416 1.627912 1.521707 4.021291 6 16 -1.00 -371.61 23.961853 50.763136 51.367499 2.400328 1.493673 5.367746 7 17 -1.00 -352.83 31.956149 78.559629 31.093809 4.338355 0.728764 5.951349 8 18 -1.00 -351.90 8.191179 55.260186 40.358167 1.387239 2.003236 4.835060 9 19 -1.00 -350.65 5.169851 60.765218 33.940304 1.159086 2.062416 4.636955 10 23 -1.00 -341.52 85.747750 33.517480 5.421428 3.042736 0.209307 5.316663 11 24 -1.00 -339.53 -6.187056 77.562998 28.781158 2.886683 2.471105 5.766467 12 25 -1.00 -336.58 10.013527 17.717552 -21.724697 2.624682 1.381384 3.523845 13 26 -1.00 -336.26 -23.958745 97.892772 -1.275502 2.929812 0.165471 1.912122 14 27 -1.00 -335.57 5.814371 55.121968 39.394501 0.906540 1.574298 4.695127 15 28 -1.00 -334.27 1.203193 -0.555192 7.126946 1.648961 0.231022 4.657084 16 29 -1.00 -332.82 16.788708 -4.344963 -15.307556 4.889239 0.341612 1.777178 17 30 -1.00 -332.77 -9.008413 31.805911 4.717495 1.685015 1.733456 3.946018 Pfg+ C%&$%&+09+57/+_*69' %4YJ' 4)*7)<+'f+Z?+*59+7/),g' 4)*</)*'f+Z?+*59+7/),g' 4)*</)*'f?*+=5;/+=g' Pfg+ 2k?H""G565786N=3;<3/).3);35,"1)/;2(6;O"' F6'&%-69' q!1)/;2(6;O' q!I)</' q!Y5C5=' q!M,6G),' q!>67</*)57/<' q!>,.</+*+=' q!I5*+(6;O' q!bI,+Z5G,+c' q!1+*/.*G):67' q!M*)?25;),' q!JD99(6;O' 5'&.J7".8cF0-67".8c,2##7".8+ 5'&.J7".8cF0-67".8c,2##7".8+
- 7. !"#$"%&' $' :'86+LM'2+ u.+<:67<v' ! 1*6/+57'=6;O57C'5<'76/')'<;*++757C'/+;275].+' ! 1*6/+57'=6;O57C';)776/'/+,,'58'/6'?)*/7+*<'=6'76/'57/+*);/' ! Y5C5='C,6G),'=6;O57C'5<'*+)<67)G,+'58H' ! @6'57=.;+='j/'5<'+Z?+;/+=' ! [67C'?6,D?+?:=+<' ! >,.<1*6'w'1)/;2(6;O"I5*+(6;O'w'x(E>n"Y(E>n' ! [66O'86*';67<+7<.<' ! ^<+'+Z?+*59+7/),';67</*)57/<'/6'/)*C+/'G,57='=6;O57C' ! Y+j7+'*+<.,/<'5/2'h+Z5G,+'?+*/.*G):67'=6;O57C'fY6<+k)(6;Og' G6&+:0#6+ L)'*2909+');+L;B').6;+i09%'*0j'(")+ ! 1(4'j,+'</*.;/.*+' ! 12D<5;6;2+95;),'?*6?+*:+<' ! J+].+7;+';67<+*R):67' ! 457=57C'?6;O+/<')7='R65=<' ! -D=*6?26G5;5/D' ! d,+;/*6</):;'?6/+7:),' ! d,+;/*67'=+7<5/D'9)?<' ! [6X*+<6,.:67'<.*8);+<' ! 1.G,5;):67X].),5/D'59)C+<' ! S6R5+<W' !")&'.&+V9+ ,.06).6L$$9k)0'0;S)0JS1"B+ JT$4ccD0"0)W"-#'(.9S)0'0;S)0JS1"B+ !"#$*6+O6.")9&-%.(")+ S6769+*5;' 1(4' 4563'^75/' BR)5,)G,+v' 456,6C5;),,D' Y+,+R)7/v' -+)=+*' JD99+/*Dv' E,5C69+*5;' i+9?,)/+v' JD99+/*5;' (6;O57C' K),5=)/+')7='^<+' (67,6)=' Y+;67</*.;/' V5/2'K5++*' S)O+'S6769+*';6?5+<y' ^<+'J+,+;:R+' J/*.;/.*+'B,5C79+7/' E?:67),H'Y+j7+'5/2' 1+*/.*G):67'(6;O57C'