==== 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(CARBOXYLIC ESTERASE) 19-AUG-94 1LPB . COMPND 2 MOLECULE: COLIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.-P.EGLOFF,H.VAN TILBEURGH,C.CAMBILLAU . 534 2 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 0 0.0 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 . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 1 4 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 . 4 4 3 2 2 0 1 2 1 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 . 1 1 0 2 1 0 0 0 1 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 6 A G 0 0 54 0, 0.0 3,-0.1 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 146.9 -1.5 1.6 32.1 2 7 A I + 0 0 176 1,-0.1 2,-0.2 0, 0.0 10,-0.0 0.896 360.0 108.7 30.9 73.5 -4.1 -0.6 33.7 3 8 A I - 0 0 76 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.699 52.8-156.3-176.8 116.6 -5.9 2.2 35.4 4 9 A I + 0 0 121 -2,-0.2 13,-0.2 1,-0.2 14,-0.1 -0.451 65.3 39.9 -95.5 171.9 -9.3 3.4 34.3 5 10 A N S S+ 0 0 112 11,-0.4 13,-0.2 -2,-0.2 -1,-0.2 0.747 76.7 177.6 54.4 34.0 -11.2 6.8 34.6 6 11 A L B -a 18 0A 5 11,-2.8 13,-2.4 -3,-0.3 14,-0.4 -0.210 22.7-123.3 -65.4 153.7 -8.0 8.9 34.1 7 12 A D > - 0 0 65 1,-0.2 3,-2.1 11,-0.2 27,-0.5 -0.505 39.3 -76.7 -95.9 164.1 -8.0 12.7 34.0 8 13 A E B 3 S+b 34 0B 62 1,-0.3 27,-0.2 -2,-0.2 -1,-0.2 -0.242 120.1 26.2 -60.0 141.5 -6.8 15.0 31.3 9 14 A G T 3 S+ 0 0 21 25,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.309 92.1 121.7 86.7 -13.9 -3.0 15.2 31.2 10 15 A E S < S- 0 0 11 -3,-2.1 24,-2.5 24,-0.1 -1,-0.3 -0.648 72.1-105.6 -81.6 139.2 -2.6 11.7 32.8 11 16 A L B +C 33 0B 22 -2,-0.3 2,-0.3 22,-0.3 22,-0.3 -0.328 45.0 179.7 -63.1 150.5 -0.6 9.3 30.6 12 17 A a - 0 0 5 20,-2.6 20,-0.4 12,-0.1 3,-0.1 -0.972 36.4-158.1-151.0 162.1 -2.6 6.6 28.8 13 18 A L S S+ 0 0 123 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.602 86.9 15.6-110.3 -26.6 -2.1 3.7 26.4 14 19 A N S > S- 0 0 66 18,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.995 72.4-117.0-153.6 145.3 -5.7 3.7 25.1 15 20 A S G > S+ 0 0 14 36,-2.1 3,-1.2 -2,-0.3 7,-0.2 0.723 105.9 75.2 -53.0 -26.7 -8.8 6.0 25.0 16 21 A A G 3 S+ 0 0 66 1,-0.3 -11,-0.4 5,-0.1 -1,-0.3 0.861 92.8 55.6 -56.8 -31.5 -10.8 3.5 27.1 17 22 A Q G < S+ 0 0 16 -3,-2.3 -11,-2.8 -13,-0.2 2,-0.4 0.740 93.4 84.9 -73.4 -22.9 -8.7 4.7 30.1 18 23 A b B < -a 6 0A 2 -3,-1.2 -11,-0.2 -4,-0.4 5,-0.1 -0.686 67.9-146.8 -91.4 132.6 -9.7 8.4 29.7 19 24 A K S S+ 0 0 108 -13,-2.4 2,-0.7 -2,-0.4 -1,-0.1 0.932 105.4 53.4 -54.2 -51.1 -12.8 10.0 31.1 20 25 A S S S- 0 0 14 -14,-0.4 2,-2.9 2,-0.1 15,-0.2 -0.813 108.9-125.5 -79.1 119.7 -12.7 12.2 28.0 21 26 A N S S+ 0 0 86 -2,-0.7 2,-0.3 13,-0.1 -6,-0.1 -0.326 78.9 96.7 -75.9 70.7 -12.5 9.3 25.5 22 27 A c - 0 0 0 -2,-2.9 13,-2.5 -7,-0.2 2,-0.6 -0.795 47.5-172.4-157.7 101.5 -9.4 10.6 23.8 23 28 A a E -De 34 52B 0 28,-0.6 30,-2.0 -2,-0.3 2,-0.3 -0.912 33.9-174.1 -91.1 126.4 -5.9 9.4 24.6 24 29 A Q E +De 33 53B 40 9,-2.9 9,-2.0 -2,-0.6 2,-0.3 -0.878 26.9 173.6-132.1 155.5 -3.9 11.8 22.5 25 30 A H - 0 0 16 28,-2.1 7,-0.1 -2,-0.3 6,-0.1 -0.970 28.2-137.2-153.4 146.4 -0.3 12.6 21.4 26 31 A D S S+ 0 0 126 -2,-0.3 2,-0.3 5,-0.3 -1,-0.1 0.820 83.9 20.3 -76.5 -33.0 1.0 15.1 18.9 27 32 A T S S- 0 0 79 4,-0.1 3,-0.4 1,-0.1 -1,-0.0 -0.826 79.9-106.3-132.8 172.3 3.6 12.9 17.1 28 33 A I S S+ 0 0 122 -2,-0.3 2,-1.3 1,-0.3 -1,-0.1 0.938 114.0 46.8 -64.1 -48.4 4.3 9.2 16.6 29 34 A L S S+ 0 0 162 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.618 97.6 89.1 -98.5 74.3 7.3 9.0 18.9 30 35 A S S S- 0 0 49 -2,-1.3 2,-0.0 -3,-0.4 -3,-0.0 -0.927 79.8 -94.5-166.1 145.0 5.9 10.8 21.9 31 36 A L - 0 0 109 -2,-0.3 2,-0.4 1,-0.1 -5,-0.3 -0.266 36.9-137.9 -63.5 144.3 3.9 9.9 25.1 32 37 A S + 0 0 14 -20,-0.4 -20,-2.6 -7,-0.1 2,-0.3 -0.859 21.0 180.0-112.0 141.2 0.1 10.2 25.0 33 38 A R E -CD 11 24B 39 -9,-2.0 -9,-2.9 -2,-0.4 -22,-0.3 -0.852 41.0 -77.9-130.2 166.8 -2.1 11.6 27.7 34 39 A b E -bD 8 23B 4 -24,-2.5 -25,-3.1 -27,-0.5 2,-0.3 -0.480 52.8-179.5 -69.5 133.7 -5.9 12.1 28.1 35 40 A A - 0 0 26 -13,-2.5 -13,-0.1 -15,-0.2 2,-0.1 -0.904 30.9 -99.2-131.3 157.3 -7.1 15.2 26.3 36 41 A L - 0 0 74 -2,-0.3 20,-0.2 1,-0.1 3,-0.1 -0.467 46.5-101.2 -73.5 149.2 -10.5 16.8 25.9 37 42 A K - 0 0 60 1,-0.1 21,-0.2 -2,-0.1 22,-0.2 -0.376 52.1 -82.5 -67.4 151.9 -12.5 16.1 22.7 38 43 A A B -f 58 0C 11 19,-1.8 21,-1.4 7,-0.1 -1,-0.1 -0.288 43.3-138.6 -60.6 130.0 -12.4 18.8 20.0 39 44 A R > - 0 0 43 1,-0.2 3,-1.4 19,-0.2 43,-0.4 -0.306 46.4 -60.5 -78.8 171.7 -14.9 21.7 20.4 40 45 A E T 3 S+ 0 0 15 413,-0.4 -1,-0.2 1,-0.2 43,-0.2 -0.240 119.7 13.2 -57.9 143.1 -16.8 23.1 17.5 41 46 A N T 3 S+ 0 0 76 41,-3.3 -1,-0.2 1,-0.2 2,-0.2 0.438 103.8 103.1 70.5 7.7 -14.8 24.6 14.6 42 47 A S S < S- 0 0 43 -3,-1.4 40,-2.5 1,-0.1 -1,-0.2 -0.643 80.7 -71.8-112.5 171.1 -11.4 23.2 15.7 43 48 A E E +G 81 0D 122 38,-0.2 13,-0.3 -2,-0.2 38,-0.2 -0.348 56.0 161.5 -67.9 141.5 -9.3 20.3 14.4 44 49 A d E -G 80 0D 0 36,-2.4 36,-1.2 11,-0.2 2,-0.3 -0.717 29.2-124.0-141.1-172.6 -10.4 16.7 15.0 45 50 A S E -G 79 0D 1 11,-0.7 13,-0.3 34,-0.2 2,-0.2 -0.964 31.5-104.2-141.2 150.9 -9.9 13.1 13.9 46 51 A A - 0 0 15 32,-1.7 32,-0.2 -2,-0.3 9,-0.1 -0.597 57.2 -84.9 -76.1 139.2 -12.3 10.5 12.7 47 52 A F - 0 0 176 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.104 61.1-154.0 -40.2 137.9 -13.0 7.9 15.4 48 53 A T - 0 0 14 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.758 34.6-140.8-125.4 173.8 -10.3 5.2 15.2 49 54 A L S S+ 0 0 123 -2,-0.2 -1,-0.1 24,-0.2 -2,-0.1 0.489 93.1 76.1-100.4 -15.1 -9.3 1.6 15.9 50 55 A Y S S- 0 0 120 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.558 96.0-130.0 -76.4 -10.1 -5.8 2.4 17.1 51 56 A G S S+ 0 0 10 1,-0.1 -36,-2.1 -37,-0.1 -28,-0.6 0.084 79.7 68.8 86.6 -30.5 -6.9 3.7 20.5 52 57 A V E -e 23 0B 25 -38,-0.2 2,-0.3 -30,-0.1 -28,-0.2 -0.853 64.7-151.7-120.8 163.4 -5.0 6.9 20.3 53 58 A Y E -e 24 0B 11 -30,-2.0 -28,-2.1 -2,-0.3 3,-0.2 -0.841 24.1-150.4-129.7 160.4 -5.4 10.1 18.3 54 59 A Y S S+ 0 0 43 1,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.604 103.9 19.2 -97.4 -20.9 -3.1 12.9 17.0 55 60 A K S S- 0 0 52 -9,-0.1 -1,-0.5 -3,-0.1 -11,-0.2 -0.966 95.2-112.6-142.9 146.4 -6.3 15.0 17.2 56 61 A c - 0 0 10 -13,-0.3 -11,-0.7 -2,-0.3 -34,-0.1 -0.490 27.9-106.6 -86.4 154.2 -9.4 14.2 19.2 57 62 A P - 0 0 18 0, 0.0 -19,-1.8 0, 0.0 -11,-0.1 -0.299 49.6 -91.8 -69.0 163.8 -12.8 13.3 18.0 58 63 A e B -f 38 0C 17 -13,-0.3 -19,-0.2 -21,-0.2 3,-0.1 -0.171 39.2-101.4 -74.8 168.3 -15.5 16.1 18.3 59 64 A E > - 0 0 31 -21,-1.4 3,-1.6 1,-0.2 -1,-0.1 -0.184 64.7 -48.4 -77.4-177.9 -17.9 16.6 21.2 60 65 A R T 3 S+ 0 0 91 1,-0.2 -1,-0.2 -2,-0.0 3,-0.1 -0.153 123.8 14.0 -61.9 143.7 -21.5 15.5 21.2 61 66 A G T 3 S+ 0 0 26 1,-0.2 24,-0.8 466,-0.1 468,-0.4 0.450 103.0 117.3 74.3 6.0 -23.7 16.4 18.2 62 67 A L E < -H 84 0D 23 -3,-1.6 2,-0.5 22,-0.2 -1,-0.2 -0.809 52.6-150.0-111.3 146.3 -20.7 17.3 16.2 63 68 A T E -H 83 0D 65 20,-2.7 20,-3.2 -2,-0.4 2,-1.2 -0.930 14.9-136.1-113.2 131.9 -19.3 15.9 13.0 64 69 A d E -H 82 0D 21 -2,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.693 28.8-161.3 -86.8 97.6 -15.6 15.9 12.2 65 70 A E E +H 81 0D 94 16,-2.3 16,-2.3 -2,-1.2 2,-0.3 -0.699 36.5 98.1 -85.7 128.9 -15.7 16.9 8.5 66 71 A G S S- 0 0 42 -2,-0.5 2,-0.3 14,-0.3 14,-0.2 -0.965 77.5 -50.0 175.1 177.1 -12.7 16.2 6.3 67 72 A D - 0 0 156 -2,-0.3 2,-0.6 12,-0.2 12,-0.1 -0.557 47.0-160.8 -73.5 127.0 -11.3 13.8 3.8 68 73 A K + 0 0 133 -2,-0.3 2,-0.3 10,-0.1 10,-0.1 -0.968 18.3 179.3-109.3 117.0 -11.6 10.2 5.1 69 74 A S > - 0 0 64 -2,-0.6 4,-1.2 1,-0.1 8,-0.1 -0.773 41.8-125.8-118.0 167.0 -9.2 7.9 3.2 70 75 A L H > S+ 0 0 129 -2,-0.3 4,-1.6 2,-0.2 5,-0.2 0.861 120.7 43.3 -75.0 -39.5 -8.2 4.3 3.2 71 76 A V H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 110.9 56.9 -67.9 -46.2 -4.6 5.3 3.7 72 77 A G H >>S+ 0 0 7 1,-0.2 5,-2.8 2,-0.2 4,-0.6 0.768 105.3 52.1 -53.6 -31.5 -5.8 7.9 6.2 73 78 A S H ><5S+ 0 0 46 -4,-1.2 3,-1.0 2,-0.2 -1,-0.2 0.970 112.3 41.6 -72.3 -51.6 -7.4 5.1 8.2 74 79 A I H 3<5S+ 0 0 94 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.767 120.2 46.8 -67.7 -23.2 -4.3 2.8 8.5 75 80 A T H 3<5S- 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.549 107.0-125.9 -95.7 -5.1 -2.2 5.9 9.1 76 81 A N T <<5S+ 0 0 7 -3,-1.0 -22,-0.2 -4,-0.6 -3,-0.2 0.929 75.8 118.6 60.4 49.7 -4.6 7.5 11.8 77 82 A T < + 0 0 61 -5,-2.8 2,-2.3 -6,-0.1 -4,-0.2 -0.051 16.1 134.8-134.5 30.2 -4.7 10.7 9.8 78 83 A N + 0 0 9 -6,-0.5 -32,-1.7 -32,-0.2 -10,-0.1 -0.441 40.2 174.2 -84.5 67.7 -8.4 11.1 9.0 79 84 A F E +G 45 0D 58 -2,-2.3 2,-0.3 -34,-0.2 -12,-0.2 -0.310 11.4 137.3 -76.1 154.6 -8.4 14.7 10.0 80 85 A G E -G 44 0D 12 -36,-1.2 -36,-2.4 -14,-0.2 2,-0.4 -0.900 47.4 -88.5-170.3-166.0 -11.2 17.3 9.7 81 86 A I E -GH 43 65D 67 -16,-2.3 -16,-2.3 -2,-0.3 2,-0.5 -0.975 41.2-103.0-127.2 145.3 -12.9 20.1 11.6 82 87 A e E + H 0 64D 0 -40,-2.5 -41,-3.3 -2,-0.4 2,-0.3 -0.489 47.2 178.1 -70.5 114.1 -15.7 19.9 14.1 83 88 A H E - 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