==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-NOV-01 1KFU . COMPND 2 MOLECULE: M-CALPAIN LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.STROBL,C.FERNANDEZ-CATALAN,M.BRAUN,R.HUBER,H.MASUMOTO,K.NA . 883 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 66 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 1 2 2 5 0 6 0 2 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 8 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 1 2 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 2 L A 0 0 50 0, 0.0 767,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 122.4 5.5 -10.1 23.7 2 3 L G >> - 0 0 8 765,-0.2 3,-1.5 1,-0.1 4,-1.0 0.076 360.0 -78.5 88.4 156.2 7.3 -10.6 20.4 3 4 L I H 3> S+ 0 0 7 880,-0.3 4,-4.8 765,-0.3 5,-0.4 0.704 120.9 73.6 -64.3 -24.0 7.7 -7.9 17.6 4 5 L A H 3> S+ 0 0 8 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.714 102.7 47.6 -61.6 -17.7 4.1 -8.2 16.3 5 6 L A H <> S+ 0 0 31 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.889 116.1 40.7 -85.3 -48.4 3.3 -6.4 19.5 6 7 L K H X S+ 0 0 66 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.854 115.5 50.2 -70.9 -34.5 6.0 -3.8 19.1 7 8 L L H X S+ 0 0 8 -4,-4.8 4,-1.8 2,-0.2 -1,-0.2 0.937 111.6 50.1 -64.4 -45.6 5.4 -3.4 15.4 8 9 L A H X S+ 0 0 20 -4,-0.7 4,-1.9 -5,-0.4 -2,-0.2 0.898 113.3 45.8 -57.2 -43.0 1.7 -3.0 16.2 9 10 L K H X S+ 0 0 54 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.799 108.6 55.7 -71.3 -31.8 2.6 -0.4 18.8 10 11 L D H X S+ 0 0 89 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.816 106.7 51.2 -71.6 -28.8 5.0 1.3 16.4 11 12 L R H X S+ 0 0 73 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.930 109.8 49.1 -70.1 -48.2 2.1 1.7 14.0 12 13 L E H X>S+ 0 0 47 -4,-1.9 5,-2.4 2,-0.2 4,-1.6 0.915 110.7 49.6 -56.5 -49.4 -0.1 3.2 16.6 13 14 L A H <5S+ 0 0 43 -4,-2.4 3,-0.3 3,-0.3 -1,-0.2 0.923 111.2 50.3 -55.7 -46.0 2.6 5.7 17.7 14 15 L A H <5S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.797 112.2 47.3 -62.1 -32.4 3.0 6.6 14.0 15 16 L E H <5S- 0 0 101 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.665 139.5 -77.9 -84.8 -16.2 -0.7 7.1 13.8 16 17 L G T ><5S+ 0 0 13 -4,-1.6 3,-1.0 -3,-0.3 6,-0.4 0.543 79.7 139.1 135.9 6.6 -0.7 9.1 17.0 17 18 L L T 3 S+ 0 0 42 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.905 124.4 49.1 -45.5 -43.4 -0.3 14.5 24.2 21 22 L E T 3 S+ 0 0 159 1,-0.3 -1,-0.3 -4,-0.0 2,-0.2 0.866 124.3 29.1 -63.2 -42.0 -3.6 14.2 22.3 22 23 L R T 3 S- 0 0 69 -3,-0.4 -4,-3.1 -6,-0.4 -3,-0.6 -0.523 87.5-172.8-118.5 61.2 -3.5 10.3 22.3 23 24 L A < - 0 0 10 -3,-0.9 126,-0.3 -5,-0.2 2,-0.2 -0.181 32.8-103.5 -53.4 145.8 -1.6 9.8 25.6 24 25 L I E -a 149 0A 28 124,-4.8 126,-4.4 -6,-0.1 2,-0.8 -0.493 34.1-121.4 -73.3 144.1 -0.7 6.1 26.1 25 26 L K E > -a 150 0A 70 124,-0.2 3,-1.6 -2,-0.2 126,-0.1 -0.787 23.3-130.6 -95.9 106.9 -3.0 4.5 28.7 26 27 L Y G > S- 0 0 70 124,-2.0 3,-2.3 -2,-0.8 126,-0.2 -0.239 85.6 -6.9 -56.2 131.1 -1.0 3.1 31.6 27 28 L L G 3 S- 0 0 87 1,-0.3 -1,-0.3 124,-0.1 3,-0.1 0.803 117.6 -78.5 50.1 37.1 -1.9 -0.6 32.5 28 29 L N G < S+ 0 0 162 -3,-1.6 2,-0.3 1,-0.2 -1,-0.3 0.718 87.4 155.0 47.0 26.9 -4.7 -0.4 30.0 29 30 L Q < - 0 0 16 -3,-2.3 2,-0.6 121,-0.2 -1,-0.2 -0.687 33.8-150.3 -86.5 138.5 -6.8 1.5 32.5 30 31 L D > - 0 0 58 -2,-0.3 4,-3.5 1,-0.2 5,-0.4 -0.916 5.3-161.4-114.2 110.0 -9.6 3.8 31.1 31 32 L Y H > S+ 0 0 16 -2,-0.6 4,-1.8 2,-0.2 5,-0.2 0.867 94.3 40.2 -52.9 -46.6 -10.4 6.8 33.2 32 33 L E H > S+ 0 0 118 2,-0.2 4,-4.0 3,-0.2 5,-0.3 0.968 117.3 48.0 -69.8 -54.0 -13.7 7.4 31.6 33 34 L A H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.918 117.1 42.6 -49.7 -53.1 -14.7 3.7 31.4 34 35 L L H X S+ 0 0 29 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.846 117.8 45.7 -64.5 -38.9 -13.7 3.1 35.1 35 36 L R H X S+ 0 0 48 -4,-1.8 4,-2.7 -5,-0.4 -2,-0.2 0.894 113.5 49.9 -70.7 -42.7 -15.3 6.3 36.2 36 37 L N H X S+ 0 0 71 -4,-4.0 4,-3.0 2,-0.2 -2,-0.2 0.949 109.8 51.7 -60.3 -48.9 -18.4 5.5 34.1 37 38 L E H X S+ 0 0 118 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.916 115.7 39.7 -53.9 -48.3 -18.5 2.0 35.7 38 39 L C H X>S+ 0 0 11 -4,-2.0 5,-1.8 2,-0.2 4,-0.6 0.825 110.7 60.2 -71.4 -32.0 -18.3 3.5 39.2 39 40 L L H ><5S+ 0 0 54 -4,-2.7 3,-0.6 3,-0.2 -2,-0.2 0.952 111.5 42.2 -58.4 -48.1 -20.7 6.3 38.2 40 41 L E H 3<5S+ 0 0 146 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.1 0.995 113.7 45.3 -63.4 -73.9 -23.1 3.6 37.3 41 42 L A H 3<5S- 0 0 75 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.438 107.6-121.6 -54.5 3.7 -22.8 1.1 40.3 42 43 L G T <<5S+ 0 0 60 -3,-0.6 2,-0.2 -4,-0.6 -3,-0.2 0.974 72.1 112.2 51.3 64.0 -22.9 4.1 42.6 43 44 L T < - 0 0 77 -5,-1.8 2,-0.4 -6,-0.0 -1,-0.2 -0.856 65.1 -95.5-150.3-177.3 -19.5 3.3 44.2 44 45 L L - 0 0 78 -2,-0.2 92,-0.2 -3,-0.1 2,-0.2 -0.878 38.2-102.4-115.7 147.5 -16.0 4.5 44.5 45 46 L F - 0 0 14 90,-3.0 2,-0.6 -2,-0.4 110,-0.1 -0.412 28.4-174.2 -70.0 129.7 -12.9 3.6 42.5 46 47 L Q - 0 0 129 -2,-0.2 91,-0.1 108,-0.1 -1,-0.0 -0.967 30.1-128.3-121.4 103.8 -10.4 1.3 44.2 47 48 L D - 0 0 5 -2,-0.6 3,-0.4 3,-0.2 5,-0.1 -0.415 17.7-164.6 -62.3 121.5 -7.5 1.0 41.9 48 49 L P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.489 91.1 52.1 -82.2 -7.0 -6.5 -2.7 41.1 49 50 L S S S+ 0 0 43 1,-0.2 -2,-0.1 0, 0.0 -22,-0.0 0.465 119.6 32.1-107.5 -5.8 -3.2 -1.6 39.8 50 51 L F S S- 0 0 12 -3,-0.4 -3,-0.2 0, 0.0 104,-0.2 -0.405 81.2-163.6-152.2 66.1 -2.2 0.5 42.8 51 52 L P - 0 0 48 0, 0.0 2,-1.0 0, 0.0 5,-0.2 -0.063 35.1-112.9 -51.4 149.5 -3.7 -1.0 46.1 52 53 L A S S+ 0 0 21 -5,-0.1 22,-0.2 4,-0.1 105,-0.0 -0.056 83.9 121.7 -76.6 36.5 -3.9 1.1 49.2 53 54 L I S > S- 0 0 76 -2,-1.0 3,-1.1 1,-0.0 4,-0.5 -0.368 82.7 -98.2 -94.4 174.9 -1.3 -1.4 50.5 54 55 L P T 3> S+ 0 0 55 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.672 114.9 70.2 -66.5 -22.8 2.3 -0.9 51.8 55 56 L S T 34 S+ 0 0 68 1,-0.2 136,-0.1 2,-0.2 -3,-0.1 0.664 93.0 57.8 -71.2 -18.4 3.9 -1.8 48.4 56 57 L A T <4 S+ 0 0 3 -3,-1.1 135,-3.4 -5,-0.2 -1,-0.2 0.783 110.2 43.4 -78.7 -33.3 2.5 1.5 47.0 57 58 L L T 4 S- 0 0 2 -4,-0.5 135,-1.1 -3,-0.3 2,-0.3 0.932 126.0 -83.5 -78.7 -49.7 4.4 3.4 49.7 58 59 L G < - 0 0 3 -4,-2.9 2,-0.4 133,-0.2 -1,-0.3 -0.980 38.3 -66.9 175.3-163.8 7.6 1.2 49.3 59 60 L F S S- 0 0 29 -2,-0.3 643,-0.1 4,-0.2 4,-0.1 -0.710 94.3 -55.9-124.2 80.0 9.8 -1.8 49.9 60 61 L K S S+ 0 0 107 -2,-0.4 -5,-0.0 -6,-0.1 -2,-0.0 0.861 133.3 65.2 49.5 54.8 10.8 -1.7 53.6 61 62 L E S S- 0 0 134 5,-0.1 -1,-0.1 6,-0.0 7,-0.1 0.059 140.3 -0.7-162.4 -21.7 12.4 1.7 53.8 62 63 L L S S+ 0 0 12 -8,-0.1 130,-0.1 6,-0.1 129,-0.1 -0.209 135.3 108.5-160.5 22.7 9.1 3.3 53.1 63 64 L G S S- 0 0 0 -6,-0.2 6,-0.4 -4,-0.1 -4,-0.2 -0.209 86.1 -71.0-105.3-173.1 8.0 -0.3 52.9 64 65 L P S S+ 0 0 77 0, 0.0 -5,-0.1 0, 0.0 -9,-0.1 0.577 120.7 40.0 -61.7 -23.2 6.1 -3.1 54.8 65 66 L Y S S+ 0 0 172 5,-0.0 -6,-0.0 0, 0.0 2,-0.0 0.824 97.3 100.3 -95.9 -28.0 8.3 -3.9 57.9 66 67 L S S S- 0 0 29 -3,-0.2 3,-0.3 1,-0.1 -5,-0.1 -0.179 72.6-134.0 -64.2 141.9 9.2 -0.3 58.6 67 68 L S S > S+ 0 0 75 1,-0.2 3,-2.7 2,-0.1 -1,-0.1 0.890 97.0 73.2 -61.5 -48.3 7.7 2.1 61.2 68 69 L K T 3 S+ 0 0 91 1,-0.3 -1,-0.2 -7,-0.1 2,-0.1 0.881 105.4 37.7 -36.4 -52.8 7.3 5.0 58.7 69 70 L T T 3 S+ 0 0 16 -6,-0.4 2,-0.4 -3,-0.3 -1,-0.3 -0.139 94.4 120.5 -96.9 40.2 4.4 3.3 57.0 70 71 L R S < S- 0 0 136 -3,-2.7 3,-0.1 1,-0.2 -3,-0.1 -0.880 77.7 -3.5-107.9 134.4 2.8 1.8 60.2 71 72 L G S S+ 0 0 64 -2,-0.4 90,-0.6 1,-0.2 2,-0.5 0.788 89.9 142.1 60.9 31.3 -0.7 2.6 61.4 72 73 L M E -C 160 0B 19 -3,-0.3 2,-0.4 88,-0.2 88,-0.3 -0.910 41.2-140.5-111.4 131.6 -1.4 5.0 58.6 73 74 L R E -C 159 0B 113 86,-1.6 2,-1.3 -2,-0.5 86,-0.9 -0.722 10.8-131.0 -94.3 130.2 -4.9 5.3 57.0 74 75 L W E +C 158 0B 44 -2,-0.4 2,-0.3 84,-0.2 82,-0.1 -0.619 37.8 180.0 -77.1 97.6 -5.6 5.8 53.3 75 76 L K E -C 157 0B 54 82,-2.1 82,-2.6 -2,-1.3 87,-0.0 -0.784 20.3-139.2-102.7 145.4 -8.1 8.6 53.4 76 77 L R >> - 0 0 20 -2,-0.3 4,-1.9 80,-0.2 3,-1.2 -0.558 32.2-105.2 -93.5 165.5 -9.8 10.2 50.4 77 78 L P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.733 114.7 75.3 -60.4 -26.2 -10.4 14.0 50.3 78 79 L T H 34 S+ 0 0 68 1,-0.2 -3,-0.0 2,-0.2 52,-0.0 0.887 110.8 27.5 -51.1 -44.7 -14.1 13.4 51.0 79 80 L E H <4 S+ 0 0 130 -3,-1.2 -1,-0.2 1,-0.1 -4,-0.0 0.817 114.9 63.4 -87.6 -41.0 -13.0 12.7 54.6 80 81 L I H < S+ 0 0 55 -4,-1.9 2,-0.2 1,-0.0 -2,-0.2 0.943 112.8 11.8 -53.5 -60.3 -9.9 14.9 54.8 81 82 L C < - 0 0 46 -4,-1.7 92,-0.1 92,-0.1 -1,-0.0 -0.779 69.6-119.6-122.2 167.8 -11.5 18.4 54.2 82 83 L A S S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 91,-0.1 0.968 106.5 22.3 -68.1 -63.2 -15.0 20.0 54.1 83 84 L D S S- 0 0 80 2,-0.0 2,-0.4 91,-0.0 -1,-0.3 -0.682 85.1-154.9-108.3 77.3 -15.2 21.4 50.6 84 85 L P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.366 12.8-170.7 -57.7 111.3 -12.6 19.2 48.8 85 86 L Q B -e 174 0C 50 88,-4.1 90,-1.0 -2,-0.4 91,-0.1 -0.835 18.6-156.8-101.1 141.2 -11.5 21.3 45.9 86 87 L F S S- 0 0 5 1,-0.4 90,-1.7 -2,-0.4 89,-0.6 0.950 77.7 -17.0 -77.4 -54.4 -9.3 19.7 43.3 87 88 L I - 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