HEADER COMPLEX(PROTEINASE/INHIBITOR) 17-DEC-92 1BRC . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.J.PERONA,R.J.FLETTERICK . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 279 # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 16 E I > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 109.6 63.9 -59.7 -12.0 63.6 -58.2 -11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6371 -0.3733 0.6744 0.6142 -0.7745 0.1515 0.4658 0.5107 0.7227 2 17 E V B 3 +A 171 0A 11 169,-3.1 169,-2.3 1,-0.2 123,-0.1 0.000 360.0 9.0 -87.8 129.6 62.0 -62.6 -10.7 62.5 -64.1 -10.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6121 -0.1761 0.7710 -0.6980 0.5786 -0.4219 -0.3718 -0.7964 -0.4771 3 18 E G T 3 S+ 0 0 34 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.000 100.1 118.0 80.2 20.4 59.7 -61.6 -7.8 60.5 -62.5 -6.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1704 0.6816 0.7116 -0.8994 0.1873 -0.3949 -0.4025 -0.7073 0.5812 4 19 E G < - 0 0 29 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 0.000 57.7-112.7-105.7-166.5 60.1 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21 I W E -ST 256 269F 66 24,-2.9 24,-3.1 -2,-0.3 2,-0.3 0.000 22.0-175.9-122.4 143.6 70.1 -70.7 -32.4 70.1 -70.6 -33.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0670 -0.9938 -0.0886 -0.5699 -0.1110 0.8142 -0.8190 -0.0040 -0.5738 245 22 I Y E -S 255 0F 46 9,-2.5 9,-2.8 -2,-0.4 2,-0.4 0.000 30.4-108.9-130.9 156.1 70.9 -74.3 -31.5 70.6 -74.7 -30.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0083 -0.9680 -0.2508 0.6927 0.1864 -0.6967 0.7212 -0.1680 0.6721 246 23 I F E -S 254 0F 10 -2,-0.3 2,-0.7 7,-0.3 7,-0.2 0.000 24.5-149.0 -86.0 133.0 70.2 -77.5 -33.5 71.3 -78.4 -34.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5737 -0.8151 0.0807 -0.8185 0.5669 -0.0928 0.0299 -0.1193 -0.9924 247 24 I D E >> -S 253 0F 33 5,-1.6 5,-1.3 -2,-0.4 4,-0.5 0.000 4.2-160.5 -99.7 115.9 67.5 -79.8 -32.1 66.1 -79.3 -32.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2940 -0.9556 0.0222 0.8240 -0.2416 0.5125 -0.4843 0.1690 0.8584 248 25 I V T 45S+ 0 0 75 -2,-0.7 -1,-0.1 -20,-0.2 -19,-0.1 0.000 85.4 49.6 -68.5 -27.1 68.2 -83.5 -32.8 69.2 -84.4 -32.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4561 -0.8358 -0.3057 -0.1644 0.4167 -0.8941 0.8746 -0.3575 -0.3274 249 26 I T T 45S+ 0 0 130 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.000 119.6 36.5 -77.2 -45.6 64.7 -84.9 -32.4 63.8 -84.9 -31.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8096 -0.1066 -0.5773 0.5208 -0.5842 -0.6225 -0.2709 -0.8046 0.5284 250 27 I E T 45S- 0 0 56 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.000 102.4-132.3 -82.8 -2.2 63.1 -82.4 -34.7 62.5 -81.1 -34.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0561 0.3711 -0.9269 -0.2560 -0.8920 -0.3726 -0.9650 0.2582 0.0450 251 28 I G T <5 + 0 0 42 -4,-0.5 2,-0.3 1,-0.1 -3,-0.2 0.000 69.9 98.4 58.2 31.7 66.1 -82.3 -37.1 65.6 -83.1 -38.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3905 0.6514 -0.6506 0.7748 0.1491 0.6144 0.4972 -0.7440 -0.4464 252 29 I K E S- 0 0 64 1,-0.2 4,-1.9 -26,-0.1 -26,-0.1 0.000 70.1-123.3-141.9 163.5 72.1 -67.5 -37.2 72.5 -66.8 -38.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6749 -0.5260 -0.5174 -0.6344 0.0556 0.7710 -0.3768 0.8486 -0.3713 271 48 I E H > S+ 0 0 101 -2,-0.3 4,-2.9 2,-0.2 5,-0.4 0.000 113.1 54.5 -65.4 -49.3 69.7 -70.1 -38.5 68.3 -69.8 -39.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0696 -0.7468 -0.6614 0.5498 -0.5245 0.6500 -0.8324 -0.4089 0.3741 272 49 I E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.000 111.8 42.8 -52.8 -50.2 71.6 -70.2 -41.8 71.9 -69.0 -42.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8369 -0.4560 -0.3027 -0.4743 -0.8803 0.0146 -0.2731 0.1314 -0.9530 273 50 I Y H > S+ 0 0 126 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.000 113.9 52.6 -67.0 -37.0 74.9 -71.0 -40.1 75.7 -69.9 -39.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4129 -0.7568 0.5068 0.0177 -0.5496 -0.8352 0.9106 0.3538 -0.2135 274 51 I i H >X>S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 3,-1.1 0.000 113.2 41.8 -61.6 -57.9 73.3 -73.5 -37.6 72.1 -73.1 -36.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2893 -0.9544 -0.0743 0.9571 -0.2898 -0.0036 -0.0182 -0.0722 0.9972 275 52 I M H 3X5S+ 0 0 72 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.000 111.6 58.9 -58.0 -33.6 71.6 -75.5 -40.5 70.5 -75.1 -41.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3629 -0.5515 -0.7511 0.2868 -0.7008 0.6532 -0.8866 -0.4525 -0.0962 276 53 I A H 3<5S+ 0 0 78 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.000 116.0 32.8 -66.8 -27.3 74.9 -75.1 -42.4 75.6 -73.8 -42.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8860 -0.4637 0.0040 -0.4272 -0.8197 -0.3816 0.1803 0.3364 -0.9243 277 54 I V H <<5S+ 0 0 40 -4,-1.2 -52,-0.4 -3,-1.1 -2,-0.2 0.000 137.5 17.8 -90.2 -46.5 76.8 -76.9 -39.6 77.2 -76.2 -38.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1137 -0.8997 0.4214 0.3495 -0.3608 -0.8646 0.9300 0.2456 0.2735 278 55 I g H <5 0 0 12 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.000 360.0 360.0-105.5 -24.5 74.3 -79.3 -38.2 73.7 -78.9 -36.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6898 -0.7149 -0.1145 0.6831 -0.5903 -0.4300 0.2398 -0.3749 0.8955 279 56 I G << 0 0 73 -4,-1.5 -3,-0.2 -5,-0.6 -4,-0.2 0.000 360.0 360.0 -88.4 360.0 71.7 -79.7 -40.9 70.7 -78.6 -41.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0877 -0.4189 -0.9038 0.0698 -0.9076 0.4139 -0.9937 -0.0268 0.1088 printout DONE