==== 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 1KFX . 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 . 816 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 63.2 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 . 98 12.0 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 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 . 72 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 1 0 0 3 7 2 2 1 0 1 0 0 0 0 0 0 4 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 . 5 7 4 1 2 1 1 1 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 . 6 2 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 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 64 0, 0.0 4,-1.3 0, 0.0 705,-0.2 0.000 360.0 360.0 360.0-120.8 6.3 -20.5 9.0 2 3 L G H >> - 0 0 4 703,-0.5 3,-2.4 2,-0.2 4,-0.9 0.505 360.0 -69.5 51.8 152.8 3.1 -19.4 7.1 3 4 L I H 3> S+ 0 0 14 700,-0.6 4,-1.0 703,-0.5 5,-0.2 0.803 127.5 73.4 -41.3 -39.2 0.2 -17.5 8.6 4 5 L A H 3> S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.861 101.5 42.0 -43.8 -45.8 -0.6 -20.7 10.6 5 6 L A H XX S+ 0 0 35 -3,-2.4 4,-2.0 -4,-1.3 3,-1.6 0.993 112.4 48.8 -67.4 -64.7 2.4 -20.0 12.8 6 7 L K H 3< S+ 0 0 91 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.600 118.7 48.5 -53.0 -5.6 1.9 -16.2 13.3 7 8 L L H 3X S+ 0 0 8 -4,-1.0 4,-0.7 -5,-0.3 -1,-0.3 0.683 106.3 48.9-110.4 -24.2 -1.6 -17.3 14.1 8 9 L A H S+ 0 0 64 -5,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.927 102.7 44.7 -74.4 -45.2 -1.6 -15.6 19.0 11 12 L R H X S+ 0 0 72 -4,-0.7 4,-0.6 1,-0.2 -1,-0.2 0.897 118.7 47.3 -64.4 -35.9 -3.9 -18.0 20.8 12 13 L E H >X S+ 0 0 51 -4,-1.2 4,-1.9 2,-0.2 3,-0.6 0.898 113.0 45.6 -72.1 -40.2 -0.8 -18.9 22.8 13 14 L A H 3< S+ 0 0 34 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.754 108.7 59.1 -73.1 -23.9 0.3 -15.3 23.5 14 15 L A H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.685 108.1 46.6 -75.8 -20.5 -3.3 -14.6 24.4 15 16 L E H << S- 0 0 142 -4,-0.6 -2,-0.2 -3,-0.6 -3,-0.1 0.934 135.1 -65.2 -86.9 -56.3 -3.1 -17.2 27.1 16 17 L G S >< S+ 0 0 18 -4,-1.9 3,-2.0 6,-0.1 -3,-0.1 0.177 83.3 131.7-157.8 -63.1 0.2 -16.4 28.9 17 18 L L T 3 S+ 0 0 41 -5,-0.4 6,-0.3 1,-0.3 3,-0.1 0.447 77.4 24.5 -7.2 120.2 3.2 -16.9 26.6 18 19 L G T 3 S+ 0 0 2 4,-3.6 130,-1.9 1,-0.5 -1,-0.3 -0.294 93.0 108.4 106.7 -47.9 5.5 -13.9 26.7 19 20 L S S < S- 0 0 47 -3,-2.0 -1,-0.5 3,-0.3 128,-0.0 -0.163 89.9 -99.0 -57.8 160.6 4.5 -12.5 30.1 20 21 L H S > S+ 0 0 30 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.954 124.5 52.0 -42.8 -68.1 7.2 -13.0 32.8 21 22 L E T 3 S+ 0 0 141 1,-0.3 2,-0.8 -4,-0.1 -1,-0.2 0.865 125.7 25.0 -33.8 -67.8 5.4 -16.1 34.2 22 23 L R T 3 S+ 0 0 92 -6,-0.1 -4,-3.6 -5,-0.0 -1,-0.3 -0.540 86.5 173.1-101.9 65.3 5.3 -17.7 30.7 23 24 L A < - 0 0 6 -3,-1.6 126,-0.2 -2,-0.8 -4,-0.1 -0.422 37.4 -99.9 -75.0 149.2 8.2 -16.1 28.8 24 25 L I E -a 149 0A 40 124,-2.3 126,-3.1 -6,-0.1 2,-0.8 -0.186 28.7-123.4 -62.1 158.0 9.1 -17.3 25.4 25 26 L K E > -a 150 0A 81 124,-0.2 3,-2.5 126,-0.0 4,-0.2 -0.801 25.7-131.6-113.4 89.8 12.0 -19.7 24.9 26 27 L Y G > S- 0 0 59 -2,-0.8 3,-0.9 124,-0.5 126,-0.3 -0.029 89.3 -0.0 -40.0 131.6 14.4 -18.2 22.5 27 28 L L G 3 S- 0 0 89 1,-0.2 -1,-0.3 124,-0.1 124,-0.0 0.656 121.3 -81.2 54.9 21.7 15.5 -20.8 19.8 28 29 L N G < S+ 0 0 161 -3,-2.5 2,-0.5 1,-0.2 -1,-0.2 0.941 83.7 156.2 52.4 56.2 13.2 -23.3 21.5 29 30 L Q < - 0 0 14 -3,-0.9 2,-0.6 121,-0.3 -1,-0.2 -0.946 32.6-148.9-116.3 129.1 15.7 -24.2 24.2 30 31 L D > - 0 0 51 -2,-0.5 4,-1.7 1,-0.2 5,-0.5 -0.848 7.1-165.2-102.4 124.5 14.8 -25.6 27.6 31 32 L Y H > S+ 0 0 13 -2,-0.6 4,-4.1 2,-0.2 5,-0.3 0.996 95.8 42.9 -61.6 -72.6 16.9 -24.8 30.6 32 33 L E H > S+ 0 0 104 2,-0.2 4,-3.4 3,-0.2 5,-0.3 0.883 120.1 47.5 -35.9 -58.4 15.4 -27.5 32.8 33 34 L A H > S+ 0 0 23 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.938 118.3 34.3 -48.1 -89.5 15.6 -29.8 29.8 34 35 L L H < S+ 0 0 42 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.822 120.3 53.5 -35.3 -49.4 19.1 -29.3 28.5 35 36 L R H >X S+ 0 0 51 -4,-4.1 3,-1.8 -5,-0.5 4,-1.3 0.982 115.3 38.5 -51.7 -67.2 20.3 -28.8 32.1 36 37 L N H >X S+ 0 0 78 -4,-3.4 4,-1.8 -5,-0.3 3,-0.8 0.917 114.0 56.6 -48.0 -49.7 18.8 -32.1 33.2 37 38 L E H 3< S+ 0 0 144 -4,-3.8 -1,-0.3 -5,-0.3 -2,-0.2 0.107 110.6 46.5 -73.8 28.7 19.9 -33.6 29.8 38 39 L C H <4>S+ 0 0 9 -3,-1.8 5,-2.0 -2,-0.5 4,-0.4 0.476 106.5 51.8-137.9 -27.3 23.5 -32.6 30.6 39 40 L L H X<5S+ 0 0 58 -4,-1.3 3,-0.8 -3,-0.8 -2,-0.2 0.921 111.7 48.2 -78.8 -48.5 23.9 -33.7 34.2 40 41 L E T 3<5S+ 0 0 186 -4,-1.8 -1,-0.1 1,-0.3 -3,-0.1 0.744 111.9 50.5 -62.9 -25.7 22.7 -37.2 33.4 41 42 L A T 3 5S- 0 0 69 -5,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.682 110.0-126.7 -85.2 -19.1 25.0 -37.3 30.4 42 43 L G T < 5 + 0 0 67 -3,-0.8 -3,-0.2 -4,-0.4 2,-0.2 0.705 68.9 119.0 79.7 20.9 27.9 -36.2 32.6 43 44 L T < - 0 0 82 -5,-2.0 2,-0.5 -6,-0.0 -1,-0.3 -0.581 65.7-114.9-114.3 178.2 28.7 -33.3 30.3 44 45 L L - 0 0 69 -2,-0.2 92,-0.2 1,-0.1 110,-0.1 -0.959 46.0 -98.0-114.2 128.0 28.8 -29.6 30.2 45 46 L F - 0 0 13 90,-2.7 2,-0.2 -2,-0.5 -1,-0.1 0.162 32.2-164.0 -38.7 154.9 26.4 -27.7 28.0 46 47 L Q - 0 0 129 108,-0.1 -1,-0.1 -3,-0.1 91,-0.1 -0.656 20.0-132.7-152.8 90.4 27.6 -26.6 24.6 47 48 L D - 0 0 2 3,-0.2 5,-0.0 1,-0.2 106,-0.0 -0.223 21.9-177.4 -47.5 98.4 25.4 -24.0 22.9 48 49 L P S S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.687 87.0 52.9 -73.0 -16.5 24.9 -25.3 19.4 49 50 L S S S+ 0 0 47 1,-0.2 -2,-0.1 -22,-0.0 104,-0.0 0.868 125.7 18.8 -83.2 -42.9 23.0 -22.1 18.8 50 51 L F S S- 0 0 13 140,-0.0 -3,-0.2 2,-0.0 104,-0.2 -0.633 88.5-168.9-130.5 68.5 25.6 -19.7 20.0 51 52 L P - 0 0 44 0, 0.0 2,-0.7 0, 0.0 5,-0.1 -0.004 34.8-109.2 -54.1 164.8 28.8 -21.7 19.9 52 53 L A S S+ 0 0 18 4,-0.1 22,-0.2 3,-0.1 105,-0.0 -0.365 82.2 116.2 -96.2 50.6 32.1 -20.5 21.4 53 54 L I S S- 0 0 67 -2,-0.7 4,-0.5 1,-0.0 3,-0.4 -0.304 84.8 -90.9-100.9-171.1 33.6 -20.0 18.0 54 55 L P S >> S+ 0 0 59 0, 0.0 4,-1.6 0, 0.0 3,-1.5 0.886 116.8 67.3 -75.2 -40.0 34.7 -16.5 16.6 55 56 L S T 34 S+ 0 0 76 1,-0.3 136,-0.1 2,-0.2 -3,-0.1 0.698 92.5 61.8 -53.0 -24.3 31.3 -15.6 14.9 56 57 L A T 34 S+ 0 0 2 -3,-0.4 135,-2.5 1,-0.1 -1,-0.3 0.875 103.8 51.1 -71.9 -33.2 29.7 -15.3 18.3 57 58 L L T <4 S- 0 0 1 -3,-1.5 135,-3.3 -4,-0.5 2,-0.3 0.994 123.1 -73.6 -65.1 -61.7 32.2 -12.6 19.1 58 59 L G < - 0 0 3 -4,-1.6 2,-0.3 4,-0.4 -1,-0.2 -0.910 28.2-114.5-170.1-161.8 31.5 -10.6 15.9 59 60 L F S > S+ 0 0 41 1,-0.4 3,-0.8 -2,-0.3 4,-0.3 -0.798 90.4 9.6-144.8 171.3 31.7 -10.0 12.2 60 61 L K T 3 S+ 0 0 182 -2,-0.3 2,-0.6 1,-0.2 -1,-0.4 0.564 137.5 15.1 6.5 109.6 33.7 -7.1 10.6 61 62 L E T 3 S+ 0 0 114 3,-0.2 7,-0.3 -3,-0.1 -1,-0.2 -0.794 143.5 27.3 111.9 -82.1 35.6 -5.5 13.7 62 63 L L S < S+ 0 0 17 -3,-0.8 -4,-0.4 -2,-0.6 -2,-0.2 -0.001 108.1 134.2 -89.9 23.6 35.4 -8.1 16.4 63 64 L G > - 0 0 2 -4,-0.3 3,-0.5 -6,-0.1 6,-0.4 -0.368 66.1 -90.1 -75.7 154.9 35.2 -10.2 13.3 64 65 L P T 3 S+ 0 0 65 0, 0.0 2,-5.1 0, 0.0 -3,-0.2 0.118 112.8 32.0 -53.0 177.1 37.2 -13.3 12.7 65 66 L Y T 3 S+ 0 0 193 1,-0.1 5,-0.1 4,-0.1 -2,-0.0 -0.152 98.3 113.0 65.4 -53.4 40.6 -13.1 11.1 66 67 L S S X S- 0 0 22 -2,-5.1 3,-0.6 -3,-0.5 4,-0.5 -0.062 74.2-132.1 -49.3 149.6 40.8 -9.7 12.8 67 68 L S G > S+ 0 0 76 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.848 99.9 76.2 -73.9 -34.6 43.3 -9.4 15.5 68 69 L K G 3 S+ 0 0 111 -7,-0.3 -1,-0.2 1,-0.3 33,-0.2 0.839 117.2 19.8 -44.6 -33.8 40.8 -7.8 17.9 69 70 L T G < S+ 0 0 10 -3,-0.6 -1,-0.3 -6,-0.4 -2,-0.2 0.339 95.9 122.0-118.5 0.2 39.6 -11.4 18.3 70 71 L R S < S+ 0 0 140 -3,-0.8 -3,-0.0 -4,-0.5 -4,-0.0 -0.445 72.6 20.0 -69.6 136.6 42.5 -13.5 17.1 71 72 L G S S+ 0 0 54 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.893 84.4 178.7 66.9 97.6 43.9 -16.0 19.5 72 73 L M - 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0 0 3 0, 0.0 46,-0.4 0, 0.0 2,-0.2 -0.329 3.7-147.9 -58.9 134.9 33.1 -19.1 41.1 85 86 L Q B -e 174 0C 57 88,-1.6 90,-0.8 1,-0.1 91,-0.2 -0.667 11.8-147.7-101.6 159.3 29.8 -17.7 42.4 86 87 L F S S- 0 0 2 1,-0.3 90,-2.5 -2,-0.2 89,-0.6 0.877 81.3 -22.5 -90.1 -48.2 26.9 -16.8 40.2 87 88 L I - 0 0 35 41,-0.2 2,-0.5 88,-0.1 -1,-0.3 -0.874 61.3-162.5-164.9 124.8 25.6 -14.0 42.4 88 89 L I - 0 0 91 -2,-0.3 3,-0.3 -3,-0.1 86,-0.1 -0.915 48.7 -59.5-123.2 110.6 26.1 -13.4 46.1 89 90 L G S S- 0 0 73 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.008 73.4 -66.4 58.2-163.2 23.9 -11.0 48.1 90 91 L G - 0 0 63 -3,-0.1 -1,-0.2 25,-0.0 27,-0.1 -0.754 50.1-161.5-131.6 87.7 23.4 -7.3 47.5 91 92 L A - 0 0 65 -2,-0.4 3,-0.1 -3,-0.3 -2,-0.0 0.212 26.4-123.3 -53.3-179.9 26.5 -5.2 48.0 92 93 L T S S+ 0 0 115 180,-0.1 2,-0.2 2,-0.0 181,-0.2 0.523 98.1 34.6-103.9 -15.0 26.4 -1.4 48.5 93 94 L R S S- 0 0 140 179,-0.2 179,-0.3 1,-0.1 -2,-0.1 -0.729 77.3-132.7-127.9 177.3 28.8 -1.0 45.5 94 95 L T - 0 0 16 177,-0.7 178,-0.1 -2,-0.2 -1,-0.1 0.907 6.8-159.6 -99.2 -65.1 29.1 -2.9 42.2 95 96 L D + 0 0 39 1,-0.3 75,-2.9 74,-0.1 76,-0.2 0.393 42.8 149.0 93.0 2.7 32.8 -3.7 41.4 96 97 L I E +F 169 0D 15 73,-0.2 2,-0.3 11,-0.1 -1,-0.3 -0.271 16.7 162.1 -73.1 153.2 31.8 -4.2 37.7 97 98 L C E -F 168 0D 33 71,-2.8 71,-3.3 -3,-0.1 2,-0.3 -0.988 32.6-116.5-167.3 157.7 34.0 -3.5 34.7 98 99 L Q E -F 167 0D 36 -2,-0.3 69,-0.2 69,-0.2 68,-0.2 -0.716 23.8-142.0-100.2 148.5 34.7 -4.0 31.0 99 100 L G - 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