==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-08 2W3X . COMPND 2 MOLECULE: CALE7; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR M.KOTAKA,R.KONG,I.QURESHI,Q.S.HO,H.SUN,C.W.LIEW,L.P.GOH, . 850 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 311 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 82 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 6 5 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 6 6 0 0 3 6 0 0 2 9 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 3 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 4 A P 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.8 7.2 15.6 52.4 2 5 A R + 0 0 143 135,-0.1 78,-0.4 77,-0.0 2,-0.3 0.208 360.0 52.6 -94.4 16.3 8.9 12.4 51.3 3 6 A Y S S- 0 0 84 76,-0.1 2,-0.4 2,-0.0 76,-0.2 -0.980 73.0-129.7-146.7 157.4 6.5 10.1 53.2 4 7 A Y E -A 78 0A 13 74,-2.5 74,-3.0 -2,-0.3 2,-0.5 -0.909 25.8-143.7-107.0 137.3 2.8 9.5 53.6 5 8 A E E -A 77 0A 45 -2,-0.4 2,-0.5 72,-0.2 72,-0.2 -0.892 15.0-173.6-112.0 127.8 1.4 9.4 57.2 6 9 A Y E -A 76 0A 21 70,-2.5 70,-3.1 -2,-0.5 2,-0.4 -0.965 14.1-157.5-113.2 124.6 -1.4 7.1 58.4 7 10 A R E +A 75 0A 164 -2,-0.5 2,-0.3 68,-0.2 68,-0.2 -0.859 14.8 173.2-108.4 141.9 -2.5 7.7 61.9 8 11 A H E -A 74 0A 45 66,-2.6 66,-3.5 -2,-0.4 2,-0.6 -0.991 28.2-142.0-149.4 135.9 -4.3 5.2 64.1 9 12 A V E -A 73 0A 82 -2,-0.3 64,-0.2 64,-0.2 2,-0.1 -0.884 37.8-119.1 -97.0 119.9 -5.4 4.9 67.7 10 13 A V - 0 0 0 62,-2.5 61,-2.4 -2,-0.6 2,-0.2 -0.351 32.9-157.1 -61.9 132.6 -4.9 1.3 68.9 11 14 A G > - 0 0 23 59,-0.2 3,-0.5 60,-0.1 4,-0.2 -0.484 28.5-103.5-106.0 177.1 -8.0 -0.5 70.0 12 15 A F G > S+ 0 0 145 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.846 114.5 62.1 -69.8 -34.6 -8.8 -3.4 72.2 13 16 A E G 3 S+ 0 0 189 1,-0.3 -1,-0.2 8,-0.0 -3,-0.0 0.780 99.1 58.3 -63.4 -23.9 -9.4 -5.9 69.4 14 17 A E G < S+ 0 0 11 -3,-0.5 8,-2.6 7,-0.1 -1,-0.3 0.536 95.5 80.0 -83.1 -6.3 -5.8 -5.4 68.4 15 18 A T B < -M 21 0B 34 -3,-1.6 6,-0.2 6,-0.3 2,-0.2 -0.502 64.9-153.4 -95.8 168.0 -4.5 -6.5 71.7 16 19 A N > - 0 0 50 4,-1.6 3,-2.4 -2,-0.2 -2,-0.0 -0.686 44.6 -74.8-127.7-176.3 -4.1 -10.1 73.0 17 20 A L T 3 S+ 0 0 114 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.740 125.3 64.3 -56.0 -25.1 -4.0 -11.6 76.5 18 21 A V T 3 S- 0 0 27 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.546 113.5-115.1 -78.1 -4.9 -0.5 -10.3 77.2 19 22 A G S < S+ 0 0 38 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.321 81.7 91.8 92.9 -8.9 -1.9 -6.7 77.0 20 23 A N S S- 0 0 21 49,-0.1 -4,-1.6 1,-0.1 2,-0.4 -0.476 87.8 -70.3-109.1-177.2 0.0 -5.5 73.9 21 24 A V B -M 15 0B 7 47,-1.3 -6,-0.3 -6,-0.2 2,-0.2 -0.615 49.2-118.5 -79.0 127.6 -0.8 -5.4 70.2 22 25 A Y > - 0 0 61 -8,-2.6 3,-1.8 -2,-0.4 4,-0.4 -0.449 26.7-120.1 -64.9 132.5 -0.7 -8.8 68.5 23 26 A Y T >> S+ 0 0 12 1,-0.3 3,-1.6 2,-0.2 4,-0.8 0.758 105.1 68.4 -47.0 -37.1 2.0 -8.8 65.8 24 27 A V H >> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 3,-0.9 0.852 89.0 66.7 -55.0 -35.0 -0.3 -9.5 62.8 25 28 A N H <> S+ 0 0 17 -3,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.796 91.7 61.2 -59.1 -28.9 -1.9 -6.0 63.2 26 29 A Y H <> S+ 0 0 6 -3,-1.6 4,-0.7 -4,-0.4 -1,-0.3 0.877 106.5 45.5 -66.5 -35.8 1.4 -4.4 62.2 27 30 A L H < + 0 0 0 -4,-2.7 3,-2.5 -5,-0.4 4,-0.3 -0.208 61.0 157.0-157.0 53.9 -4.6 8.2 43.5 43 46 A P T >> + 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.769 68.8 74.9 -54.7 -26.4 -8.2 7.3 44.1 44 47 A E H 3> S+ 0 0 51 1,-0.3 4,-1.3 2,-0.2 770,-0.4 0.721 79.5 74.4 -60.5 -20.3 -8.5 6.4 40.5 45 48 A I H <> S+ 0 0 1 -3,-2.5 4,-3.3 -7,-0.2 -1,-0.3 0.803 87.2 60.4 -64.5 -28.2 -6.6 3.2 41.3 46 49 A L H <> S+ 0 0 84 -3,-1.7 4,-1.4 -4,-0.3 5,-0.3 0.931 100.5 52.8 -64.4 -46.5 -9.7 1.7 43.0 47 50 A D H < S+ 0 0 97 -4,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.889 114.9 43.1 -54.8 -39.8 -11.7 1.9 39.8 48 51 A E H ><>S+ 0 0 21 -4,-1.3 5,-2.2 1,-0.2 3,-1.2 0.932 114.5 49.2 -70.0 -46.3 -8.8 0.1 38.2 49 52 A L H 3<5S+ 0 0 33 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.556 112.3 49.0 -69.5 -9.2 -8.6 -2.3 41.2 50 53 A R T 3<5S+ 0 0 173 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.441 118.6 43.7-103.7 -8.8 -12.4 -2.8 40.9 51 54 A A T < 5S- 0 0 70 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.662 130.5 -52.2 -99.0-102.6 -11.9 -3.5 37.2 52 55 A D T 5S+ 0 0 69 -4,-0.3 64,-0.7 -5,-0.1 2,-0.2 0.432 97.3 107.2-124.6 -3.0 -9.0 -5.7 36.1 53 56 A L E < -B 115 0A 3 -5,-2.2 2,-0.4 62,-0.2 62,-0.2 -0.531 47.8-167.4 -77.6 146.3 -5.9 -4.2 37.7 54 57 A K E -B 114 0A 24 60,-2.7 60,-2.4 -2,-0.2 2,-0.8 -0.999 19.2-148.5-137.7 137.0 -4.5 -6.1 40.6 55 58 A L E -B 113 0A 31 -2,-0.4 2,-0.6 58,-0.2 58,-0.2 -0.910 22.3-163.7-104.1 106.4 -1.9 -5.2 43.2 56 59 A F E -B 112 0A 33 56,-2.8 56,-2.9 -2,-0.8 2,-0.8 -0.821 13.5-138.7 -96.3 120.9 -0.1 -8.4 44.1 57 60 A T E +B 111 0A 10 -2,-0.6 54,-0.2 54,-0.2 3,-0.1 -0.707 22.4 178.2 -80.6 113.7 2.0 -8.3 47.3 58 61 A L E + 0 0 46 52,-2.2 151,-2.3 -2,-0.8 2,-0.3 0.752 69.8 10.1 -83.7 -29.8 5.2 -10.1 46.6 59 62 A K E +BC 110 208A 32 51,-1.7 51,-1.8 149,-0.2 2,-0.4 -0.986 56.8 178.9-154.6 140.4 6.7 -9.5 50.0 60 63 A A E +BC 109 207A 0 147,-2.3 147,-2.0 -2,-0.3 2,-0.3 -0.982 18.0 158.2-142.6 128.8 5.5 -8.2 53.4 61 64 A E E -BC 108 206A 34 47,-2.2 47,-1.9 -2,-0.4 2,-0.3 -0.993 17.2-171.0-151.1 156.8 7.7 -8.0 56.5 62 65 A C E -BC 107 205A 1 143,-2.4 143,-2.3 -2,-0.3 2,-0.4 -0.985 10.0-154.9-150.6 137.3 7.9 -6.2 59.8 63 66 A E E -BC 106 204A 92 43,-3.1 43,-2.1 -2,-0.3 2,-0.5 -0.943 19.3-144.3-112.4 137.5 10.6 -6.1 62.5 64 67 A F E +B 105 0A 9 139,-2.5 41,-0.3 -2,-0.4 3,-0.1 -0.894 27.0 166.6-111.1 129.6 9.5 -5.2 66.0 65 68 A F + 0 0 90 39,-2.7 2,-0.3 -2,-0.5 40,-0.2 0.684 68.1 1.5-108.7 -27.9 11.5 -3.1 68.5 66 69 A A S S- 0 0 25 38,-1.7 -1,-0.2 36,-0.1 2,-0.2 -0.885 76.6 -93.5-149.9 179.5 9.0 -2.3 71.3 67 70 A E - 0 0 48 -2,-0.3 2,-0.4 -3,-0.1 38,-0.0 -0.603 23.5-140.8-103.2 164.3 5.4 -3.0 72.3 68 71 A L - 0 0 3 -2,-0.2 -47,-1.3 -47,-0.2 3,-0.0 -0.964 13.3-152.6-123.7 140.9 2.2 -1.1 71.8 69 72 A A > - 0 0 39 -2,-0.4 3,-1.9 -49,-0.2 -59,-0.2 -0.697 37.0 -78.0-110.2 161.9 -0.6 -0.7 74.3 70 73 A P T 3 S+ 0 0 40 0, 0.0 -59,-0.2 0, 0.0 -1,-0.1 -0.352 117.5 14.5 -59.1 137.1 -4.4 -0.1 73.8 71 74 A F T 3 S+ 0 0 111 -61,-2.4 2,-0.2 1,-0.3 -60,-0.1 0.555 84.9 142.9 72.9 13.4 -5.0 3.5 72.9 72 75 A D < - 0 0 41 -3,-1.9 -62,-2.5 -61,-0.1 2,-0.5 -0.565 55.6-120.1 -75.1 148.1 -1.5 4.4 72.1 73 76 A R E -AD 9 97A 135 24,-0.6 24,-2.9 -64,-0.2 2,-0.4 -0.843 32.9-161.2 -94.9 126.4 -1.5 6.8 69.1 74 77 A L E -AD 8 96A 2 -66,-3.5 -66,-2.6 -2,-0.5 2,-0.4 -0.855 14.5-166.0-112.3 144.9 0.3 5.3 66.2 75 78 A A E -AD 7 95A 0 20,-2.3 20,-3.2 -2,-0.4 2,-0.6 -0.997 6.0-164.3-126.4 121.8 1.8 7.0 63.1 76 79 A V E -AD 6 94A 0 -70,-3.1 -70,-2.5 -2,-0.4 2,-0.6 -0.953 8.5-160.1-108.8 116.4 2.8 4.8 60.2 77 80 A R E -AD 5 93A 55 16,-2.9 16,-2.5 -2,-0.6 2,-0.4 -0.888 5.0-159.6-102.6 121.1 5.1 6.6 57.8 78 81 A M E +AD 4 92A 2 -74,-3.0 -74,-2.5 -2,-0.6 2,-0.3 -0.859 10.9 179.9-105.1 131.8 5.3 5.2 54.3 79 82 A R E - D 0 91A 87 12,-2.4 12,-2.8 -2,-0.4 2,-0.8 -0.892 32.8-115.4-126.3 155.9 8.1 5.9 51.9 80 83 A L E + D 0 90A 11 -78,-0.4 10,-0.2 -2,-0.3 59,-0.2 -0.825 31.4 176.5 -92.9 108.7 8.9 4.7 48.4 81 84 A V E - 0 0 62 8,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.922 67.4 -3.4 -77.2 -47.0 12.1 2.7 48.6 82 85 A E E - D 0 89A 94 7,-1.5 7,-2.8 56,-0.0 2,-0.4 -0.999 53.3-163.1-150.5 145.3 12.2 1.7 44.9 83 86 A L E + D 0 88A 38 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.984 19.7 173.2-130.2 116.8 10.1 2.0 41.8 84 87 A T - 0 0 47 3,-3.0 42,-0.3 -2,-0.4 -2,-0.0 -0.389 52.6 -79.9-108.5-168.8 10.8 -0.3 38.9 85 88 A Q S S+ 0 0 129 1,-0.2 41,-2.3 -2,-0.1 3,-0.0 0.886 125.8 3.9 -61.0 -39.7 9.0 -0.8 35.6 86 89 A T S S+ 0 0 27 39,-0.3 27,-2.3 40,-0.0 2,-0.3 0.435 122.6 63.9-125.9 -5.8 6.4 -3.0 37.2 87 90 A Q E - E 0 112A 51 25,-0.2 -3,-3.0 39,-0.1 2,-0.4 -0.853 51.1-158.5-127.5 161.6 7.1 -3.1 40.9 88 91 A M E -DE 83 111A 6 23,-2.2 23,-2.9 -2,-0.3 2,-0.5 -1.000 7.9-154.0-137.2 134.6 7.3 -0.8 44.0 89 92 A E E -DE 82 110A 11 -7,-2.8 -8,-2.2 -2,-0.4 -7,-1.5 -0.956 19.3-163.7-109.3 125.2 9.2 -1.4 47.2 90 93 A L E -DE 80 109A 4 19,-3.4 19,-2.2 -2,-0.5 2,-0.4 -0.904 6.4-153.2-114.0 138.8 7.5 0.4 50.2 91 94 A G E -DE 79 108A 10 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.4 -0.881 8.0-160.7-111.1 143.8 9.1 1.2 53.6 92 95 A F E -DE 78 107A 1 15,-2.8 15,-2.8 -2,-0.4 2,-0.5 -0.983 7.1-168.0-129.8 125.3 7.1 1.6 56.8 93 96 A D E -DE 77 106A 28 -16,-2.5 -16,-2.9 -2,-0.4 2,-0.6 -0.945 13.1-153.0-109.4 128.2 8.2 3.3 60.0 94 97 A Y E -DE 76 105A 0 11,-2.8 10,-2.1 -2,-0.5 11,-1.2 -0.899 15.2-174.9-105.8 113.7 5.9 2.7 63.0 95 98 A L E -DE 75 103A 21 -20,-3.2 -20,-2.3 -2,-0.6 2,-0.7 -0.914 21.9-145.7-114.1 130.9 6.0 5.5 65.6 96 99 A R E -DE 74 102A 75 6,-3.0 6,-1.8 -2,-0.5 2,-0.7 -0.833 24.5-144.2 -88.6 116.3 4.2 5.5 69.0 97 100 A L E +DE 73 101A 27 -24,-2.9 -24,-0.6 -2,-0.7 4,-0.2 -0.748 46.6 117.8 -86.8 113.8 3.3 9.2 69.4 98 101 A G S S- 0 0 34 -2,-0.7 3,-0.1 2,-0.5 -1,-0.0 -0.471 83.2 -38.2-144.4-145.0 3.6 10.2 73.1 99 102 A G S S+ 0 0 96 1,-0.2 2,-0.3 -2,-0.2 -2,-0.1 0.886 140.3 6.3 -56.6 -34.9 5.4 12.5 75.5 100 103 A D S S- 0 0 130 -4,-0.1 -2,-0.5 2,-0.0 2,-0.3 -0.935 95.1-105.9-140.0 156.0 8.2 11.6 73.1 101 104 A D E - 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