==== 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 1LPA . COMPND 2 MOLECULE: COLIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.VAN TILBEURGH,M.-P.EGLOFF,C.CAMBILLAU . 534 2 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 17.8 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 0 4 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 PARALLEL BRIDGES PER LADDER . 5 4 3 2 1 1 1 3 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 . 2 1 1 1 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 40 0, 0.0 326,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 163.6 -5.2 8.4 38.1 2 7 A I - 0 0 134 2,-0.8 3,-0.1 3,-0.1 4,-0.1 0.912 360.0 -35.2-110.6 -55.3 -3.3 5.1 37.8 3 8 A I S S+ 0 0 111 1,-0.8 2,-0.3 14,-0.1 3,-0.2 0.235 130.1 31.0-149.9 -6.6 -3.6 2.8 34.7 4 9 A I S S+ 0 0 96 1,-0.2 -2,-0.8 15,-0.0 -1,-0.8 -0.931 111.8 39.0-143.8 160.1 -7.2 3.4 33.8 5 10 A N S S- 0 0 102 12,-0.9 2,-0.3 11,-0.4 13,-0.2 0.960 81.7-176.5 58.0 50.9 -9.2 6.6 34.4 6 11 A L B -a 18 0A 2 11,-2.6 13,-2.9 -3,-0.2 14,-0.4 -0.633 19.4-131.8 -84.3 138.9 -6.2 8.6 33.5 7 12 A D > - 0 0 50 -2,-0.3 3,-2.4 11,-0.2 27,-0.4 -0.476 40.5 -81.0 -83.8 161.3 -6.4 12.4 33.8 8 13 A E T 3 S+ 0 0 76 1,-0.3 27,-0.2 -2,-0.2 -1,-0.1 -0.373 121.6 31.1 -70.4 132.0 -5.3 14.6 31.0 9 14 A G T 3 S+ 0 0 23 25,-2.2 -1,-0.3 1,-0.4 2,-0.1 0.056 88.3 122.5 102.6 -21.8 -1.5 14.9 31.2 10 15 A E S < S- 0 0 0 -3,-2.4 24,-2.1 1,-0.1 -1,-0.4 -0.492 76.1 -98.2 -71.9 142.0 -1.0 11.4 32.6 11 16 A L B -B 33 0B 40 22,-0.3 2,-0.4 316,-0.1 22,-0.3 -0.447 47.7-160.8 -70.8 139.9 1.2 9.2 30.4 12 17 A a + 0 0 4 20,-2.9 20,-0.3 -2,-0.2 3,-0.1 -0.931 33.9 178.9-134.3 132.3 -0.7 7.0 28.3 13 18 A L S S+ 0 0 140 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.611 84.0 15.8-108.1 -18.8 -0.2 3.8 26.2 14 19 A N S >> S- 0 0 75 1,-0.1 3,-2.1 18,-0.1 4,-0.6 -0.982 75.3-119.8-153.0 140.5 -3.7 3.4 24.9 15 20 A S G >4 S+ 0 0 12 36,-1.9 3,-0.8 -2,-0.3 7,-0.6 0.759 105.4 66.9 -55.8 -27.1 -6.6 5.8 24.6 16 21 A A G 34 S+ 0 0 61 1,-0.3 -11,-0.4 5,-0.2 -1,-0.3 0.641 91.8 65.5 -73.4 -8.7 -9.1 3.7 26.8 17 22 A Q G <4 S+ 0 0 25 -3,-2.1 -11,-2.6 -13,-0.2 -12,-0.9 0.910 91.4 80.0 -69.6 -39.8 -6.8 4.4 29.7 18 23 A b B << S-a 6 0A 2 -3,-0.8 -11,-0.2 -4,-0.6 5,-0.1 -0.399 78.5-138.0 -76.6 139.5 -7.7 8.0 29.4 19 24 A K S S+ 0 0 100 -13,-2.9 2,-0.5 -2,-0.1 -1,-0.1 0.896 107.9 51.8 -61.0 -43.9 -10.9 9.4 30.8 20 25 A S S S- 0 0 15 -14,-0.4 2,-2.5 2,-0.2 15,-0.2 -0.837 109.9-121.8 -78.3 131.4 -11.2 11.5 27.6 21 26 A N S S+ 0 0 87 -2,-0.5 2,-0.2 -4,-0.1 -5,-0.2 -0.522 80.4 106.1 -86.6 85.1 -10.7 8.5 25.3 22 27 A c + 0 0 0 -2,-2.5 13,-2.6 -7,-0.6 2,-0.4 -0.719 41.4 176.8-165.0 104.7 -7.7 10.2 23.7 23 28 A a E +C 34 0B 0 28,-0.4 30,-3.0 11,-0.2 2,-0.3 -0.909 28.9 172.5 -97.4 139.6 -4.1 9.3 24.2 24 29 A Q E -Cd 33 53B 40 9,-1.2 9,-2.1 -2,-0.4 2,-0.3 -0.923 21.2-174.6-147.5 164.2 -2.3 11.7 21.8 25 30 A H - 0 0 12 28,-1.2 7,-0.1 -2,-0.3 5,-0.0 -0.925 30.8-124.1-158.1 150.6 1.3 12.8 21.0 26 31 A D S S+ 0 0 136 5,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.983 87.6 5.9 -62.7 -61.2 2.7 15.4 18.7 27 32 A T S S- 0 0 76 4,-0.1 3,-0.4 2,-0.1 0, 0.0 -0.492 86.1 -86.4-117.7-173.1 4.9 13.2 16.6 28 33 A I S S+ 0 0 93 1,-0.3 2,-2.0 -2,-0.2 -1,-0.1 0.979 120.2 37.9 -59.1 -67.6 5.8 9.6 16.1 29 34 A L S S+ 0 0 155 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 -0.639 96.0 120.0 -89.6 80.1 8.5 8.9 18.6 30 35 A S S S- 0 0 29 -2,-2.0 2,-0.2 -3,-0.4 0, 0.0 -0.984 73.3 -99.3-137.8 145.1 6.8 11.1 21.2 31 36 A L - 0 0 92 -2,-0.3 2,-0.4 1,-0.1 -5,-0.3 -0.463 38.0-136.5 -69.7 133.8 5.4 10.2 24.7 32 37 A L + 0 0 43 -20,-0.3 -20,-2.9 -2,-0.2 2,-0.3 -0.790 31.7 168.2 -93.8 124.6 1.7 9.7 24.5 33 38 A R E -BC 11 24B 40 -9,-2.1 -9,-1.2 -2,-0.4 -22,-0.3 -0.980 41.4 -81.8-144.4 146.8 -0.3 11.3 27.3 34 39 A b E + C 0 23B 5 -24,-2.1 -25,-2.2 -27,-0.4 2,-0.3 -0.105 56.1 164.4 -50.6 135.0 -4.1 11.8 27.7 35 40 A A - 0 0 15 -13,-2.6 -15,-0.1 -27,-0.2 -1,-0.1 -0.783 33.1 -57.8-144.0 176.4 -5.6 14.8 26.1 36 41 A L - 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.044 36.5-125.3 -43.6 146.3 -8.7 16.6 24.9 37 42 A K - 0 0 66 19,-0.1 21,-0.3 1,-0.1 22,-0.1 -0.758 52.8 -98.6 -87.4 151.7 -11.4 15.4 22.6 38 43 A A B -e 58 0C 2 19,-2.7 21,-2.3 -2,-0.3 2,-0.1 -0.398 34.4-137.5 -77.0 153.7 -11.5 18.2 20.0 39 44 A R > - 0 0 43 19,-0.2 3,-2.1 1,-0.2 43,-0.5 -0.380 42.5 -59.5-101.6 179.3 -13.9 21.0 19.9 40 45 A E T 3 S+ 0 0 20 413,-0.5 43,-0.2 1,-0.3 -1,-0.2 -0.423 123.4 12.1 -66.5 133.3 -15.8 22.6 17.1 41 46 A N T 3 S+ 0 0 88 41,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.533 101.0 111.4 76.1 13.8 -13.5 24.0 14.6 42 47 A S S < S- 0 0 35 -3,-2.1 40,-2.6 40,-0.1 -1,-0.3 -0.834 76.1 -94.0-107.7 154.7 -10.3 22.4 15.8 43 48 A E E +F 81 0D 113 -2,-0.3 2,-0.3 38,-0.3 38,-0.3 -0.223 50.8 168.9 -56.7 160.3 -8.4 19.7 13.9 44 49 A d E -F 80 0D 0 36,-1.5 36,-2.0 11,-0.1 2,-0.3 -0.960 30.6-128.1-163.9 161.0 -9.2 16.0 14.8 45 50 A S E -F 79 0D 2 11,-1.1 13,-0.2 10,-0.6 2,-0.2 -0.843 32.6-112.8-111.4 160.9 -8.6 12.5 13.6 46 51 A A - 0 0 17 32,-1.2 32,-0.1 -2,-0.3 9,-0.1 -0.648 58.9 -70.8 -82.6 155.0 -11.5 10.0 13.0 47 52 A F - 0 0 185 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.158 64.5-155.9 -49.0 136.5 -11.4 7.1 15.5 48 53 A T - 0 0 41 1,-0.1 3,-0.2 -3,-0.1 -1,-0.1 -0.698 31.1-138.4-117.8 169.4 -8.5 4.8 14.8 49 54 A L S S+ 0 0 135 -2,-0.2 -1,-0.1 26,-0.2 -2,-0.0 0.857 92.3 79.6 -81.8 -39.6 -7.3 1.1 15.2 50 55 A Y S S- 0 0 123 25,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.466 92.8-130.6 -53.5 -18.6 -3.8 2.2 16.1 51 56 A G S S+ 0 0 16 -3,-0.2 -36,-1.9 -37,-0.1 2,-0.4 -0.206 78.1 56.4 98.8 -51.7 -4.4 3.2 19.8 52 57 A V S S- 0 0 16 -2,-0.5 -28,-0.2 -38,-0.2 2,-0.1 -0.981 72.5-140.1-123.6 142.3 -2.9 6.7 20.3 53 58 A Y B -d 24 0B 24 -30,-3.0 -28,-1.2 -2,-0.4 3,-0.2 -0.366 20.1-157.8 -89.7 159.1 -3.8 9.8 18.2 54 59 A Y S S+ 0 0 34 1,-0.4 2,-0.4 22,-0.3 -1,-0.1 0.574 101.3 23.2-100.4 -27.6 -1.8 12.6 16.8 55 60 A K S S- 0 0 53 -9,-0.1 -10,-0.6 -3,-0.1 -1,-0.4 -0.990 92.6-126.6-133.4 122.1 -5.1 14.6 16.8 56 61 A c - 0 0 4 -2,-0.4 -11,-1.1 -12,-0.2 2,-0.1 -0.158 26.7-105.0 -61.6 159.7 -7.9 13.6 19.1 57 62 A P - 0 0 21 0, 0.0 -19,-2.7 0, 0.0 -11,-0.1 -0.463 46.7 -88.0 -78.2 166.1 -11.5 12.9 17.9 58 63 A e B -e 38 0C 20 -21,-0.3 -19,-0.2 -13,-0.2 3,-0.1 -0.096 34.2 -99.4 -77.1 165.5 -14.3 15.5 18.5 59 64 A E > - 0 0 30 -21,-2.3 3,-1.0 1,-0.2 -1,-0.1 -0.106 63.1 -68.0 -67.1-178.8 -16.8 16.2 21.2 60 65 A R T 3 S+ 0 0 84 1,-0.2 -1,-0.2 468,-0.0 3,-0.1 -0.324 119.2 29.1 -81.5 158.5 -20.3 14.8 20.8 61 66 A G T 3 S+ 0 0 22 1,-0.2 24,-0.5 466,-0.1 468,-0.3 0.199 104.0 107.8 80.0 -7.8 -22.7 16.1 18.2 62 67 A L < - 0 0 21 -3,-1.0 2,-0.4 22,-0.2 22,-0.2 -0.706 57.6-149.9-110.9 151.7 -19.6 16.9 16.1 63 68 A T E -G 83 0D 47 20,-3.5 20,-3.1 22,-0.3 2,-1.4 -0.967 17.7-133.6-126.2 121.0 -18.1 15.3 12.9 64 69 A d E -G 82 0D 14 -2,-0.4 2,-0.7 18,-0.3 18,-0.2 -0.587 33.4-154.7 -74.8 92.7 -14.3 15.3 12.1 65 70 A E E +G 81 0D 89 16,-2.3 16,-1.2 -2,-1.4 2,-0.2 -0.655 44.0 92.4 -87.7 118.4 -14.6 16.4 8.5 66 71 A G S S- 0 0 41 -2,-0.7 2,-1.3 14,-0.2 14,-0.2 -0.910 83.5 -50.5-174.4-172.8 -11.8 15.3 6.3 67 72 A D + 0 0 93 12,-0.3 3,-0.2 -2,-0.2 12,-0.2 -0.682 54.1 157.1 -98.4 104.4 -10.9 12.5 3.9 68 73 A K + 0 0 84 -2,-1.3 6,-0.3 1,-0.2 -1,-0.2 0.981 55.6 78.1 -74.9 -61.7 -11.3 9.4 5.7 69 74 A S S S+ 0 0 92 4,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.443 71.1 100.3 -28.3 -35.6 -11.7 6.9 2.7 70 75 A L >> - 0 0 94 -3,-0.2 4,-2.7 1,-0.1 3,-0.6 -0.444 69.4-142.7 -62.1 111.6 -8.1 6.8 2.0 71 76 A V E 34 S+h 74 0E 119 -2,-0.4 4,-0.2 1,-0.2 -1,-0.1 -0.698 97.0 47.5 -74.1 128.4 -6.2 3.8 3.3 72 77 A G E 3>>S+h 75 0E 35 2,-1.9 4,-1.1 -2,-0.4 5,-0.8 -0.438 111.6 49.6 126.0 -54.1 -3.0 5.4 4.4 73 78 A S T <4>S+ 0 0 8 -3,-0.6 2,-2.0 1,-0.3 5,-1.1 0.880 103.3 65.4 -76.0 -38.5 -4.8 8.1 6.2 74 79 A I E <5S+h 71 0E 72 -4,-2.7 -2,-1.9 -6,-0.3 -1,-0.3 -0.733 100.4 53.3 -80.8 82.8 -6.6 5.1 7.6 75 80 A T E 45S-h 72 0E 65 -2,-2.0 -25,-0.3 -4,-0.2 -26,-0.2 -0.624 136.9 -39.0-179.0 -94.8 -3.2 4.3 9.1 76 81 A N T <5S+ 0 0 53 -4,-1.1 -22,-0.3 -2,-0.2 -3,-0.2 0.620 123.9 59.8-128.4 -12.7 -2.2 7.5 11.1 77 82 A T T < + 0 0 69 -5,-0.8 2,-2.6 -4,-0.1 -3,-0.2 -0.014 50.4 135.9-115.4 31.1 -3.1 10.7 9.3 78 83 A N < + 0 0 11 -5,-1.1 -32,-1.2 -32,-0.1 2,-0.1 -0.436 39.5 167.8 -69.7 68.0 -6.8 10.7 8.9 79 84 A F E +F 45 0D 67 -2,-2.6 -12,-0.3 -34,-0.2 2,-0.2 -0.457 9.4 147.1 -92.8 166.5 -7.1 14.4 10.0 80 85 A G E -F 44 0D 8 -36,-2.0 -36,-1.5 -14,-0.2 2,-0.4 -0.876 43.7 -95.8-166.6-164.2 -10.1 16.8 9.7 81 86 A I E -FG 43 65D 61 -16,-1.2 -16,-2.3 -38,-0.3 2,-0.9 -0.995 43.0-105.8-131.9 140.6 -11.7 19.7 11.5 82 87 A e E + G 0 64D 0 -40,-2.6 -41,-2.5 -43,-0.5 2,-0.3 -0.508 46.7 174.6 -77.2 105.6 -14.7 19.3 13.9 83 88 A H E - 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