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`MICROFILMED
`To maintain documenmilm
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`SCIENTIFIC NOTEBOOK CO.
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`, _
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`E
`
`Q
`
`M .Propct No.
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`3. Book No.
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`
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`
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`From Page No. __
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`Page 13 of 90
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`
`
`Project No.
`
`
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`34-3?
`4é'57—
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`W 7444:? A/J_C¢JCW (/35afi-md)
`.JFB?‘ w- JFSJ‘ Mas/'4'
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`Page 14 of 90
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`

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`
`
`Project No
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`From Page No._
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`ta*ktkflt‘ktifizrntnamttkrnfitfififitkaktflkflntfitn’tIntii§*tiifitttit*tttfifiitfi*ixfikfiti
`ZHCP, 1FBJ AND ZHFL are kappa-type
`11734 and SFAB are lambda—type
`a—strand residue:
`() denotes be
`
`‘ti’rtxtxxttxxiItfli***k*txkkfl$*kitktii‘kfi*kx*hixtflxtithikit‘kkfififii‘kfli‘flfiiktfiwflfifi
`(:japital letters - Ca < 1.0A from 1FE4 HV
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`I5.0tTF&LFYF
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`To Page No.
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`Page 15 of 90
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`Page 15 of 90
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`

`

`romp-DIN.
`
`i
`
`_ l _,'_
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`+_ P“?
`
`;_ v
`
`62 mama: and
`.P‘DBASALA
`0-
`3 in tilezlfldm
`1‘! SW:
`I— 17 in filodl-‘BLW
`Ill W:
`21-
`33 in filo:1m.m
`[I W2:
`41-
`45 in filedFBLPDBASALA
`' SEQUENCE:
`51-
`58 in file:lFB4.PDBASALA
`IN SEQUENCE:
`62— 67 in file:lFB4.PDBASALA
`IN SEQUENCE:
`72— 76 in file:lF84.PDBASALA
`IN SEQUENCE:
`83-
`92 in file: lFB4.PDBASALA
`IN SEQUENCE:
`98— 107 in file: lE-‘BL PDBASALA
`IN SEQUENCE:
`62 residues and
`1m.PDBASALA
`0-
`3
`in file: lFBJ.PDBASALA
`w IN SEQUENCE:
`17 in file:lE-‘BJ.PDBA5ALA
`8-
`Ga? IN SEQUENCE:
`23-
`33 in file-.lFBJPDBASALA
`W IN SEQUENCE:
`41-
`45 in file:lFBJ.PDBASALA
`GAP IN SEQUENCE:
`51— 58 in file:lFBJ.PDBASALA
`GAP IN SEQUENCE:
`62-
`67 in file:lFBJ.PDBASALA
`G34!
`IN SEQUENCE:
`72»
`76 in file:lFBJ.PDBASALA
`635 IN SEQUENCE:
`83— 92 in file: lF‘BJ.PDBASALA
`GAP IN SEQUENCE:
`98— 107 in file: lFBJ. PDBASALA
`GAP IN SEQUENCE:
`62 residues and
`ZULJDBASALA
`0—
`3 in file: 2HFL.PDBASALA
`m IN SEQUENCE:
`17 in file:2HI-‘L.PDBASALA
`8-
`cu IN SEQUENCE:
`23— 33 in Eile:2NEL.PDEASALA
`_ m IN SEQUENCE:
`41— 45 in file:2HFL.PDBASALA
`cu IN SEQUENCE:
`51— 58 in file:2HFL.PDBASALA
`(:52 IN SEQUENCE:
`62~
`67 in file:2HFL.PDBASALA
`w IN SEQUENCE:
`72— 76 in Eile:2HFL.PDBASALA
`GM? IN SEQUENCE:
`83-
`92 in file:2HI-‘L.PDBASALA
`cu IN SEQUENCE:
`98— 105 in Eile:2HFL. PDBASALA
`GAP IN SEQUENCE:
`62 residues and
`mmnansm
`of
`3 in file: 2MCP.PDBASALA
`' w IN SEQUENCE:
`17 in file:2MCP.PDBASALA
`8-
`w IN SEQUENCE:
`23-
`33 in file:2MCP.PDBASALA
`GM IN SEQUENCE:
`41-
`45 in Eile:2MCP.PDBASALA
`G» IN SEQUENCE:
`51— 60 in tile:2NCP.PDBASALA
`cu IN SEQUENCE:
`64-
`69 in f11e:2MCP.pDBASAL.n
`W IN SEQUENCE:
`74— 78 in file:
`1GP.PDBASALA
`(in IN SEQUENCE:
`85— 94 in file: 2NCP.PDBA5AI.A
`— a» IN SEQUENCE:
`100- 111 in file: ZMCP PDBASALA
`GI! IN SEQUENCE:
`62 residues and
`. HILPDBASAIA
`0-
`3
`in file: 3FAB.PDBASALA
`W IN SEQUENCE:
`17 in file:3EAB.pDEASAm
`8-
`up IN SEQUENCE:
`23— 33 in file:3EAB.PDEASI-\LA
`m IN SEQUENCE:
`41— 45 in file:3FAB.PDBASALA
`all IN SEQUENCE:
`51— 57 in fi]e:3FAB.PDBASALA
`_ W IN SEQUENCE:
`61”
`66 in Eile:3FAB.PDBASNm
`1:» IN SEQUENCE:
`71-
`75 in file-.3FAB.PDEASAIA
`W IN SEQUENCE:
`82-
`91 in file:3EAB.PDBASALN
`an IN SEQUENCE:
`97— 108 in file:3FAB.PDBASALA
`an IN SEQUENCE:
`108— 107 in file:3FAB.PDBASALA
`. 0» IN SEQUENCE:
`“I -
`306 : MAXRES —
`62
`rI-tcr range is:
`2.00 to 33.72
`‘ I’Mtor BIN range is:
`2 to
`34
`l-IHSTOR STATS DO NOT INCLUDE 3PM?
`lb!
`Range
`Avg.Dst. R.M.s.
`1
`2.00 —
`5.20
`0.119
`0.221
`3
`5.20 -
`0.364
`0.423
`8.40
`l
`8.40 - 11.60
`0.368
`0.420 .
`4
`11.60 - 14.80
`0.372
`0.417
`3
`14.80 - 18.00
`0.391
`0.455
`6
`18.00 - 21.20
`0.434
`0.490
`7
`21.20 - 24.40
`0,633
`0.752
`I H.u— 2?.“ Mn 0.928
`l
`:1. In 30100.55:
`0.714
`1d
`)0 U - 3‘ MI 0.“ 0.
`
`sesaeseeeg
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`_
`
`_
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`#values
`620
`145
`192
`235
`177
`104
`42
`9
`5
`
`
`306 arm
`
`306 atm-
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`306 Eton:
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`306 atoms
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`306 at:-
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`1.306
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`0.02]. -
`1.474 +’
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`1.016
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`1.409 —+
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`1.505
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`Vim-mum a: Understood by me,
`
`Page 16 of 90
`
`Page 16 of 90
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`

`

`FIT—é.
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`*ttttitfitttttt*ttittitinifithttttttttlitlltititittnitrittttltlillttiltliitkkill
`IFBA and 3FAB are lambda—type
`ZMCP,
`lFBJ AND ZHFL are kappa-type
`
` () denotes beta—strand residues
`
`fl-W fluW W .W .m Mafia
`06 M: 3.413423 33 33! 1155—5; 5’844Z6P4?) Zé .33; ?24Z)
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`N-Ca
`Ca—C
`C-O C’N Cfer C’N‘Ca N-Ca-C Ca—C-O Ca-Cfll O’C-N N—Ca‘Cb Cb—Ca-C
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`124.0
`109.7
`121.0
`115.9
`123.8
`110.8
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`2.3
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`51
`54
`
`.~-.
`
`4
`
`Page 17 of 90
`
`Page 17 of 90
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`

`

`Project No.
`Book No.
`
`
`
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`Page 18 of 90
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`Page 18 of 90
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`From Page No._
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`Page 19 of 90
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`Page 19 of 90
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`

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`8
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`To Page No.
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`Page 20 of 90
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`Page 20 of 90
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`

`

` '
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`
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`TITLE WW 9 Book No._._.
`
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`Project No.
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`Ji-Ca
`Ca—C
`C-O C-N CA-Cb C-N-Ca N-Ca-C Ca—C-O Ca-CcN O-C-N N-Ca-Cb
`1.454 1.526 1.230 1.337 1.530 124.2
`109.7
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`116.6
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`land Lengths a. Angles for AVERAGE
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`after 300 cycles minimization (100 Ca released)
`I-Ca
`Ca—C
`C30 C-N Ca-Cb C-N’Ca N-Ca-C Ca-C-O Ca-C-N O-C-N
`1.454 1.528 1.231 1.338 1.531 124.2
`109.9
`120.4
`116.5
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`0.9
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`0.4
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`64
`64
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`60
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`64
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`land Lengths 5 Angles for AVERAGE
`(.CORS)
`after 600 cycles minimization (400 Ca released)
`I-Ca Ca-C
`C-O C—N
`(Ia-Cb C-N-Ca were Ca-C-O Ca‘C~N O-C-N N-Ca-Cb
`1.454 1.528 1.230 1.338 1.531 124.1
`110.0
`120.5
`116.5
`123.1
`109.6
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`0.8
`0.4
`0.4
`0.2
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`64
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`110.3
`120.9
`117.6
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`Bond Lengths E. Angles for AVERAGE after 50 cycles minimization (.COR)
`l-Ca Ca-C
`C-O C-N Ca-Cb C-N-Ca NACd’C Ca-C‘O Ca-C'N O-C~N N-Ca'Cb
`1.450 1.522 1.230 1.334 1.528 123.6
`109.4
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`116.6
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`55
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`load Lengths & Angles for AVERAGE after 100 cycles minimization (.CORZ)
`l-Ca Ca-C
`C-O C-N Ca-Cb CeNcCa N-Ca-C Ca-C-O Ca-C-N O-C-N N-Ca-Cb
`1.452 1.524 1.231 1.335 1.530 124.0
`109.5
`120.1
`116.6
`123.3
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`64
`64
`64
`55
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`55
`60
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`land Lengths 5 Angles for AVERAGE after 200 cycles minimization with Ca
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`50 cycles with C; at 10
`100 cycles with Ca at 2.5
`100 cycles with Ca at 0.5
`C’O CnN Ca-Cb C—N-Ca N—Ca-C Ca-C-O Oa-C-N O-C—N N—Ca-Cb CbcCa-C
`N—Ca Cd-C
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`120.4
`116.5
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`11—1»-
`
`Page 21 of 90
`
`Page 21 of 90
`
`

`

`10
`
`Av
`
`‘ mm Page No.
`
`Preject No.
`Book No.___ TITLE
`
`X
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`Date
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`Date
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`Page 22 of 90
`
`Page 22 of 90
`
`

`

`
`Project No.
`Book No.#_
`
`'
`
`I'ITLE
`
`11
`
`AVERAGE.PDBS
`D—A(
`D-A-AA A-D'm A>D(
`3-
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`2.84
`61.3
`2.98
`549.3
`2.94
`30.3
`2.89
`50.0
`2.91
`-42.9
`2.84
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`172.9
`2.91
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`2.92
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`154.2
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`149 o
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`2.82
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`118.7
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`125.5
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`112.4
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`7.5
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`59
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`74.
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`126.1
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`2.92
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`
`To Page No.
`
`0-2.???
`
`Page 23 of 90
`
`From Page No.1!
`
`Dihedrnl Angles for AVERAGE
`after 200 cycles minimization with Ca at 20.0
`50 cycles with Ca at 10.0
`
`.Cafl3c
`
`161
`1000.0
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`15.
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`35 —133.2
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`17.
`36 —120.0
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`37 —13e.4
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`19.
`38 —107.7
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`20.
`39 —127.4
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`21.
`40 —70.0
`164
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`22.
`41 —65.7
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`23.
`45
`1000.0
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`24.
`46 —140.5
`112
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`25.
`47
`62.7
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`26.
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`49 —177.4
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`31.
`59
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`60 —146.6
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`61 —76.5
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`72 —140.7
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`Page 23 of 90
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`

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`Project No.
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`Page 24 of 90
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`Page 24 of 90
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`

`

`'ITLE
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`Projecl No.
`
`Ftom Page No. _
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`"‘ gt“ mg, _dm¢fidrg,fi
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`Page 25 of 90
`
`Page 25 of 90
`
`

`

`Project No.
`Book No._________
`
`TITLE
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`. ,--fi,..__
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`14
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`9- tom Pay; No.—
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