==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-JUN-02 1LWT . COMPND 2 MOLECULE: PI-SCEI DNA SUBSTRATE TOP STRAND; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.M.MOURE,F.S.GIMBLE,F.A.QUIOCHO . 448 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 2 1 0 0 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 7 8 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # 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 1 1 A C 0 0 20 0, 0.0 74,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.0 43.2 31.3 8.6 2 2 A F E -AB 74 428A 0 426,-4.0 426,-3.5 72,-0.2 72,-0.3 -0.823 360.0-111.8-115.3 148.8 43.8 34.2 10.9 3 3 A A E > - B 0 427A 7 70,-3.5 3,-1.4 -2,-0.3 2,-0.3 -0.352 53.5 -87.4 -67.2 146.6 46.4 37.0 11.3 4 4 A K T 3 S+ 0 0 128 422,-0.6 -1,-0.1 1,-0.2 3,-0.1 -0.399 113.7 39.5 -64.6 119.4 48.5 36.7 14.4 5 5 A G T 3 S+ 0 0 36 1,-0.4 -1,-0.2 -2,-0.3 13,-0.1 -0.172 75.1 133.0 139.2 -40.9 46.8 38.4 17.4 6 6 A T < - 0 0 16 -3,-1.4 12,-1.6 67,-0.2 -1,-0.4 -0.185 51.1-137.0 -44.3 113.4 43.3 37.4 16.7 7 7 A N E -F 17 0B 83 10,-0.2 436,-1.7 11,-0.1 437,-0.3 -0.610 16.4-153.0 -84.1 136.7 41.7 36.1 20.0 8 8 A V E -FG 16 442B 0 8,-2.6 8,-1.5 -2,-0.3 2,-0.7 -0.726 16.3-121.9-107.7 151.5 39.5 33.0 20.0 9 9 A L E -F 15 0B 9 432,-1.5 19,-2.6 -2,-0.3 432,-0.2 -0.821 29.6-151.1 -93.4 117.8 36.7 31.9 22.2 10 10 A X B > -H 27 0C 6 4,-2.0 3,-2.5 -2,-0.7 17,-0.3 -0.508 27.0-110.1 -83.0 155.8 37.6 28.5 23.8 11 11 A A T 3 S+ 0 0 12 15,-4.5 16,-0.1 1,-0.3 -1,-0.1 0.778 121.4 58.2 -54.8 -31.1 34.8 26.1 24.7 12 12 A D T 3 S- 0 0 86 14,-0.3 -1,-0.3 171,-0.1 3,-0.1 0.374 121.2-114.5 -79.4 4.2 35.5 26.7 28.4 13 13 A G S < S+ 0 0 9 -3,-2.5 -2,-0.2 1,-0.2 -1,-0.1 0.500 76.3 128.0 77.8 2.3 34.8 30.3 27.5 14 14 A S - 0 0 41 -5,-0.1 -4,-2.0 291,-0.0 2,-0.5 -0.106 61.3-114.6 -76.7-176.2 38.3 31.5 28.2 15 15 A I E -F 9 0B 103 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.988 32.2-177.2-129.2 124.8 40.1 33.5 25.6 16 16 A E E -F 8 0B 61 -8,-1.5 -8,-2.6 -2,-0.5 2,-0.2 -0.939 31.6-110.8-121.6 141.5 43.2 32.1 23.9 17 17 A C E > -F 7 0B 35 -2,-0.4 3,-1.4 -10,-0.2 4,-0.5 -0.494 28.0-125.4 -71.0 139.6 45.4 33.7 21.4 18 18 A I G > S+ 0 0 0 -12,-1.6 3,-1.3 1,-0.3 -1,-0.1 0.864 108.4 56.3 -49.9 -46.0 45.1 32.1 18.0 19 19 A E G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -13,-0.1 410,-0.1 0.722 109.5 48.4 -62.6 -21.6 48.9 31.4 17.7 20 20 A N G < S+ 0 0 97 -3,-1.4 2,-0.5 2,-0.1 -1,-0.3 0.457 79.9 111.8-101.3 -2.4 48.8 29.5 20.9 21 21 A I < - 0 0 1 -3,-1.3 2,-0.1 -4,-0.5 3,-0.0 -0.620 52.6-162.2 -76.9 122.3 45.8 27.3 20.3 22 22 A E > - 0 0 129 -2,-0.5 3,-0.8 1,-0.1 2,-0.4 -0.347 28.3 -79.8 -94.6-179.4 47.0 23.7 20.0 23 23 A V T 3 S+ 0 0 81 1,-0.2 15,-0.2 -2,-0.1 3,-0.1 -0.684 112.8 30.9 -85.0 129.0 45.5 20.6 18.6 24 24 A G T 3 S+ 0 0 29 13,-0.8 -1,-0.2 1,-0.5 14,-0.1 0.208 87.6 117.7 109.6 -14.4 42.9 18.8 20.8 25 25 A N < - 0 0 44 -3,-0.8 12,-1.4 11,-0.1 2,-0.5 -0.349 64.9-122.2 -77.0 166.8 41.7 22.0 22.6 26 26 A K E - I 0 36C 84 10,-0.2 -15,-4.5 -3,-0.1 -14,-0.3 -0.901 21.5-159.1-123.9 111.1 38.0 22.8 22.0 27 27 A V E -HI 10 35C 0 8,-2.1 8,-2.4 -2,-0.5 2,-0.5 -0.146 34.7 -85.6 -75.7 174.4 36.8 26.1 20.5 28 28 A X E - I 0 34C 5 -19,-2.6 413,-2.7 413,-0.5 2,-0.2 -0.709 36.0-151.5 -88.9 126.9 33.4 27.6 20.9 29 29 A G > - 0 0 1 4,-2.1 3,-2.9 -2,-0.5 411,-0.2 -0.625 29.9-113.1 -89.7 153.1 30.7 26.5 18.5 30 30 A K T 3 S+ 0 0 62 409,-0.4 152,-0.2 1,-0.3 -1,-0.1 0.781 118.9 61.0 -58.0 -22.4 27.9 29.0 17.8 31 31 A D T 3 S- 0 0 58 2,-0.2 -1,-0.3 1,-0.1 150,-0.0 0.426 120.1-110.1 -83.1 1.2 25.6 26.6 19.6 32 32 A G S < S+ 0 0 8 -3,-2.9 152,-0.2 1,-0.4 -2,-0.1 0.189 86.0 115.3 90.6 -17.3 27.6 27.0 22.7 33 33 A R S S- 0 0 153 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.4 -0.506 74.2 -88.1 -85.4 156.6 28.9 23.5 22.4 34 34 A P E -I 28 0C 68 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.281 26.7-156.7 -66.6 144.8 32.7 22.6 21.8 35 35 A R E -I 27 0C 20 -8,-2.4 -8,-2.1 401,-0.1 -24,-0.1 -0.930 20.0-140.5-124.7 102.0 34.3 22.4 18.4 36 36 A E E -I 26 0C 95 -2,-0.5 397,-1.0 -10,-0.3 2,-0.4 -0.222 10.7-134.2 -62.8 151.4 37.4 20.2 18.6 37 37 A V E +J 432 0D 0 -12,-1.4 -13,-0.8 395,-0.2 395,-0.3 -0.861 28.9 167.2-107.5 142.2 40.5 21.2 16.6 38 38 A I E + 0 0 68 393,-3.6 2,-0.3 -2,-0.4 394,-0.2 0.417 63.5 37.8-134.0 -4.0 42.5 18.7 14.5 39 39 A K E -J 431 0D 132 392,-1.1 392,-2.5 -17,-0.1 -1,-0.3 -0.979 52.0-157.2-153.6 138.3 44.8 20.8 12.4 40 40 A L - 0 0 52 -2,-0.3 390,-0.2 390,-0.2 389,-0.2 -0.363 22.0-165.5-110.4 53.4 46.9 24.0 12.8 41 41 A P + 0 0 48 0, 0.0 388,-1.7 0, 0.0 2,-0.2 -0.108 15.8 173.7 -44.0 117.6 47.3 25.3 9.2 42 42 A R E +C 428 0A 95 386,-0.2 2,-0.3 -41,-0.1 386,-0.2 -0.652 13.1 110.9-119.8 175.7 50.0 27.9 9.2 43 43 A G E -C 427 0A 30 384,-1.1 384,-4.0 -2,-0.2 2,-0.4 -0.956 56.8 -76.1 150.8-169.2 51.7 29.8 6.5 44 44 A R E +C 426 0A 116 382,-0.3 2,-0.3 -2,-0.3 382,-0.2 -0.969 53.2 131.8-130.9 144.1 52.2 33.2 4.8 45 45 A E E -C 425 0A 53 380,-1.5 380,-2.6 -2,-0.4 2,-0.5 -0.910 60.2 -57.9-167.7-170.3 49.8 34.9 2.4 46 46 A T - 0 0 58 378,-0.3 30,-1.7 -2,-0.3 2,-0.3 -0.800 56.0-143.6 -91.4 128.7 48.1 38.3 1.7 47 47 A X E -D 75 0A 0 -2,-0.5 375,-3.9 376,-0.3 2,-0.4 -0.652 9.7-155.2 -96.8 150.6 46.0 39.4 4.6 48 48 A Y E -DE 74 421A 30 26,-4.8 26,-1.7 -2,-0.3 2,-0.4 -0.937 9.6-136.7-123.6 147.5 42.7 41.2 4.7 49 49 A S E -DE 73 420A 39 371,-3.1 371,-1.8 -2,-0.4 2,-0.3 -0.825 12.7-162.3-106.2 138.7 41.2 43.4 7.3 50 50 A V E +DE 72 419A 1 22,-3.1 22,-0.9 -2,-0.4 2,-0.2 -0.838 14.5 163.6-117.0 154.9 37.6 43.4 8.6 51 51 A V E -DE 71 418A 34 367,-0.9 367,-1.1 -2,-0.3 20,-0.2 -0.775 34.2-117.6-174.5 120.0 35.8 46.1 10.5 52 52 A Q E - E 0 417A 37 18,-2.3 365,-0.3 365,-0.3 2,-0.2 -0.102 28.8-129.1 -55.5 158.2 32.1 46.7 11.1 53 53 A K + 0 0 81 363,-3.3 2,-0.3 364,-0.0 363,-0.2 -0.652 32.6 165.1-106.8 170.3 30.4 49.8 9.9 54 54 A S - 0 0 57 -2,-0.2 15,-0.0 2,-0.2 361,-0.0 -0.912 53.9 -95.3 177.9 154.4 28.3 52.2 11.9 55 55 A Q S S+ 0 0 201 -2,-0.3 -2,-0.0 2,-0.0 -1,-0.0 0.492 80.0 129.1 -58.1 2.7 26.6 55.6 12.2 56 56 A H + 0 0 63 1,-0.1 -2,-0.2 2,-0.0 304,-0.0 -0.206 21.5 150.8 -61.9 153.3 29.8 56.7 14.1 57 57 A R + 0 0 207 1,-0.0 2,-3.8 0, 0.0 -1,-0.1 0.664 16.7 125.6-154.7 -31.5 31.5 59.9 13.0 58 58 A A + 0 0 46 2,-0.1 2,-0.3 0, 0.0 6,-0.2 0.028 64.6 85.5 -35.3 36.7 33.6 62.3 15.4 59 59 A H 0 0 123 -2,-3.8 4,-0.1 1,-0.1 0, 0.0 -0.922 360.0 360.0-153.6 170.2 36.9 62.4 13.3 60 60 A K 0 0 228 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.039 360.0 360.0 95.1 360.0 39.6 63.3 10.8 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 63 A S 0 0 130 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.6 40.8 64.3 18.9 63 64 A S + 0 0 119 -4,-0.1 3,-0.2 3,-0.0 -4,-0.1 0.209 360.0 163.2 -75.6 22.9 42.2 61.0 20.1 64 65 A R - 0 0 115 -6,-0.2 297,-0.0 1,-0.1 0, 0.0 -0.197 57.1 -90.7 -43.0 111.1 38.6 60.6 21.1 65 66 A E - 0 0 77 1,-0.1 296,-0.1 3,-0.0 -1,-0.1 0.140 40.4-111.2 -32.6 143.3 38.9 56.9 21.5 66 67 A V - 0 0 129 -3,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.696 44.9 -94.7 -80.5 137.8 38.1 54.8 18.5 67 68 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 293,-0.0 0.223 28.6-109.3 -44.6 167.4 34.9 52.8 18.8 68 69 A E + 0 0 60 291,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.057 57.2 169.7 -89.7 25.3 34.8 49.2 19.9 69 70 A L - 0 0 35 1,-0.1 -15,-0.1 -17,-0.1 2,-0.1 -0.049 40.9-106.2 -44.0 131.6 33.9 48.2 16.4 70 71 A L + 0 0 3 -17,-0.1 -18,-2.3 -19,-0.1 2,-0.3 -0.351 57.9 149.8 -61.0 137.7 34.0 44.4 15.8 71 72 A K E + D 0 51A 125 -20,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.983 21.1 160.7-163.8 171.8 37.0 43.4 13.7 72 73 A F E - D 0 50A 12 -22,-0.9 -22,-3.1 -2,-0.3 2,-0.4 -0.939 28.7-117.2 179.0 172.7 39.7 40.9 12.7 73 74 A T E + D 0 49A 36 -2,-0.3 -70,-3.5 -24,-0.2 2,-0.2 -0.970 27.2 172.7-138.6 124.4 42.2 40.0 10.0 74 75 A C E -AD 2 48A 0 -26,-1.7 -26,-4.8 -2,-0.4 -72,-0.2 -0.704 35.9 -96.0-121.5 170.7 42.4 36.9 7.8 75 76 A N E > - D 0 47A 0 -74,-1.4 3,-1.3 -28,-0.3 85,-0.3 -0.219 51.0 -92.6 -75.2 175.0 44.4 35.8 4.8 76 77 A A T 3 S+ 0 0 8 -30,-1.7 85,-2.3 1,-0.3 86,-0.2 0.730 122.4 48.4 -65.9 -22.0 43.0 36.2 1.3 77 78 A T T 3 S+ 0 0 42 -31,-0.2 2,-0.3 83,-0.2 -1,-0.3 0.151 77.1 125.0-107.2 21.4 41.4 32.7 1.2 78 79 A H < - 0 0 2 -3,-1.3 82,-1.5 -77,-0.1 2,-0.6 -0.611 64.4-117.5 -80.2 138.0 39.6 32.7 4.5 79 80 A E E -K 159 0E 62 371,-0.5 370,-0.9 -2,-0.3 2,-0.6 -0.648 21.6-147.0 -82.5 116.7 36.0 31.9 4.3 80 81 A L E -K 158 0E 0 78,-3.2 78,-1.3 -2,-0.6 2,-1.1 -0.679 10.1-138.2 -83.6 116.9 33.7 34.7 5.5 81 82 A V E +K 157 0E 6 -2,-0.6 96,-0.6 366,-0.3 76,-0.2 -0.624 44.2 168.4 -74.3 106.2 30.5 33.4 7.1 82 83 A V E -L 176 0F 1 74,-2.4 2,-0.3 -2,-1.1 74,-0.3 -0.612 29.3-152.0-118.3 178.6 28.1 35.9 5.5 83 84 A R E -L 175 0F 19 92,-1.9 92,-1.6 72,-0.2 72,-0.2 -0.986 7.3-172.5-147.7 148.1 24.4 36.6 5.0 84 85 A T E -O 154 0G 0 70,-1.8 70,-4.5 -2,-0.3 90,-0.1 -0.977 26.7-116.0-147.5 133.6 22.4 38.4 2.3 85 86 A P E -O 153 0G 39 0, 0.0 2,-0.5 0, 0.0 68,-0.3 -0.148 25.8-119.4 -63.0 158.3 18.7 39.3 2.3 86 87 A R - 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