==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUL-95 1CPJ . COMPND 2 MOLECULE: CATHEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.P.HUBER,Z.JIA . 506 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 19.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 3 0.6 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 . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 0 2 0 0 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 13 3 0 1 2 2 2 1 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 . 1 0 0 0 0 0 0 2 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 1 A L 0 0 95 0, 0.0 161,-0.0 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 134.5 -3.7 34.4 41.2 2 2 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 205,-0.0 -0.075 360.0-115.6 -66.3 160.9 -0.8 33.1 39.1 3 3 A E S S+ 0 0 154 1,-0.1 2,-0.3 205,-0.0 0, 0.0 0.693 98.2 6.5 -74.4 -19.8 2.7 32.4 40.6 4 4 A S - 0 0 68 203,-0.2 2,-0.3 2,-0.0 203,-0.2 -0.974 68.9-169.3-153.3 167.5 4.1 35.2 38.4 5 5 A F E -A 206 0A 17 201,-1.9 201,-1.1 -2,-0.3 2,-0.4 -0.977 10.3-164.2-156.8 139.9 2.8 37.8 36.0 6 6 A D E > -A 205 0A 27 -2,-0.3 4,-2.8 199,-0.2 5,-0.2 -0.972 14.2-153.5-132.0 126.7 4.0 40.3 33.4 7 7 A A H > S+ 0 0 0 197,-2.5 4,-3.1 -2,-0.4 -1,-0.1 0.871 98.1 58.5 -61.4 -27.7 1.8 43.2 32.1 8 8 A R H 4 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.893 111.4 37.7 -77.0 -45.3 3.8 43.1 28.8 9 9 A E H >4 S+ 0 0 157 -3,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.940 116.8 52.0 -61.1 -52.8 3.0 39.5 28.0 10 10 A Q H 3< S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.3 2,-0.2 0.936 128.1 22.2 -56.1 -38.4 -0.6 39.7 29.3 11 11 A W T >< S+ 0 0 39 -4,-3.1 3,-2.2 -5,-0.2 -1,-0.3 -0.405 75.2 156.4-129.1 61.6 -1.2 42.8 27.2 12 12 A S T < + 0 0 97 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.656 67.1 67.0 -64.0 -27.3 1.4 42.5 24.4 13 13 A N T 3 S+ 0 0 84 -3,-0.1 -1,-0.3 -4,-0.1 -4,-0.1 0.585 86.4 80.8 -66.0 -18.3 -0.5 44.6 21.9 14 14 A a < - 0 0 4 -3,-2.2 3,-0.3 -6,-0.2 4,-0.3 -0.872 62.2-173.6 -93.0 110.9 0.1 47.6 24.2 15 15 A P S >> S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.901 72.9 68.7 -78.6 -39.7 3.6 48.9 23.6 16 16 A T G >4 S+ 0 0 10 1,-0.3 3,-0.9 2,-0.2 24,-0.2 0.766 89.2 70.4 -49.0 -25.6 4.0 51.6 26.3 17 17 A I G 34 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.3 -9,-0.2 0.817 102.9 39.9 -67.3 -37.5 4.0 48.8 28.9 18 18 A A G <4 S+ 0 0 55 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.467 97.2 111.4 -81.7 -9.6 7.5 47.5 27.8 19 19 A Q << - 0 0 44 -3,-0.9 2,-0.4 -4,-0.6 -3,-0.0 -0.374 49.8-162.1 -72.1 148.1 8.7 51.1 27.3 20 20 A I - 0 0 32 -2,-0.1 2,-0.2 198,-0.0 203,-0.2 -0.960 12.6-171.6-126.1 135.8 11.3 52.7 29.6 21 21 A R - 0 0 15 198,-0.4 201,-2.0 -2,-0.4 2,-0.4 -0.665 19.7-120.9-118.2 179.7 11.8 56.5 29.7 22 22 A D B -I 221 0B 14 -2,-0.2 199,-0.2 199,-0.2 72,-0.2 -0.917 9.5-167.9-133.6 116.9 14.2 59.1 31.2 23 23 A Q - 0 0 13 197,-1.7 2,-0.1 -2,-0.4 198,-0.1 0.665 37.1-159.4 -74.5 -13.5 13.2 61.8 33.7 24 24 A G - 0 0 2 196,-0.4 2,-1.4 84,-0.2 -1,-0.2 -0.436 55.0 -19.2 71.3-149.3 16.6 63.3 33.1 25 25 A S S S+ 0 0 27 81,-0.4 2,-0.2 -2,-0.1 -1,-0.1 -0.810 116.5 91.7 -94.8 73.4 18.1 65.7 35.6 26 26 A b S S- 0 0 2 -2,-1.4 2,-2.2 96,-0.2 3,-0.2 -0.711 80.7-123.4-165.5 127.9 14.7 66.4 37.2 27 27 A G + 0 0 9 44,-2.1 46,-0.5 96,-0.3 3,-0.3 -0.406 64.8 130.2 -74.7 67.4 13.0 64.7 40.1 28 28 A S >> + 0 0 0 -2,-2.2 4,-2.7 1,-0.2 3,-0.8 0.240 23.7 117.4-108.6 17.1 9.9 63.9 38.1 29 29 A C H 3> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.823 76.3 57.8 -54.8 -28.4 9.8 60.2 39.2 30 30 A W H 3> S+ 0 0 7 -3,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.956 111.1 41.9 -62.6 -43.4 6.5 61.0 40.8 31 31 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.876 115.5 49.1 -71.1 -39.2 5.3 62.2 37.3 32 32 A F H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.962 105.5 53.6 -70.5 -52.6 6.8 59.3 35.3 33 33 A G H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.885 115.9 44.3 -47.7 -40.0 5.5 56.5 37.4 34 34 A A H X S+ 0 0 0 -4,-1.2 4,-2.8 -5,-0.3 -2,-0.2 0.984 113.3 44.5 -70.6 -61.6 2.1 57.9 36.9 35 35 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 19,-0.4 0.908 111.9 55.7 -58.6 -36.0 2.0 58.8 33.2 36 36 A E H X S+ 0 0 9 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.951 111.7 41.3 -52.0 -56.8 3.6 55.4 32.3 37 37 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.880 112.5 54.8 -70.1 -36.6 0.9 53.4 34.1 38 38 A M H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.962 108.2 49.9 -53.6 -49.1 -1.9 55.7 32.8 39 39 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 13,-0.3 0.958 111.4 48.7 -53.9 -52.4 -0.6 55.0 29.2 40 40 A D H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.913 115.9 44.4 -52.4 -41.0 -0.6 51.3 30.0 41 41 A R H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.3 -1,-0.2 0.807 107.1 54.3 -81.7 -41.4 -4.1 51.5 31.3 42 42 A I H X S+ 0 0 11 -4,-3.2 4,-0.5 2,-0.2 8,-0.3 0.962 116.1 43.5 -49.4 -51.3 -5.7 53.7 28.6 43 43 A a H ><>S+ 0 0 0 -4,-2.1 5,-1.9 -5,-0.3 3,-1.3 0.939 115.5 46.6 -58.7 -51.1 -4.4 51.1 26.2 44 44 A I H ><5S+ 0 0 26 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.852 109.1 55.7 -60.0 -38.9 -5.5 48.2 28.4 45 45 A H H 3<5S+ 0 0 79 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.570 112.3 43.6 -68.5 -16.7 -9.0 49.7 29.0 46 46 A T T X<5S- 0 0 32 -3,-1.3 3,-2.1 -4,-0.5 -1,-0.2 0.017 107.3-115.0-121.5 16.6 -9.6 50.0 25.2 47 47 A N T < 5S- 0 0 130 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.685 80.1 -55.4 50.2 27.5 -8.3 46.6 23.9 48 48 A G T 3 - 0 0 0 34,-3.4 4,-1.4 -2,-0.2 5,-0.2 -0.475 28.7-171.7 -75.7 124.0 2.7 63.3 28.6 56 56 A A H > S+ 0 0 1 -2,-0.4 4,-1.8 35,-0.4 5,-0.2 0.793 93.3 59.1 -72.7 -22.8 5.2 63.5 31.4 57 57 A E H > S+ 0 0 12 44,-0.6 4,-2.5 2,-0.2 5,-0.4 0.950 103.0 48.9 -67.8 -52.4 5.6 67.1 30.4 58 58 A D H > S+ 0 0 0 43,-0.4 4,-2.2 1,-0.2 5,-0.2 0.911 114.9 42.9 -52.3 -55.7 2.0 68.0 30.9 59 59 A L H X S+ 0 0 0 -4,-1.4 4,-1.3 3,-0.2 5,-0.2 0.911 116.1 48.2 -59.2 -43.9 1.7 66.5 34.4 60 60 A L H < S+ 0 0 6 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.893 123.6 28.1 -68.2 -45.5 5.1 67.9 35.6 61 61 A T H < S+ 0 0 19 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.855 127.0 40.9 -81.4 -42.2 4.7 71.5 34.4 62 62 A c H < S+ 0 0 19 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.561 92.0 79.2 -91.2 -12.4 0.9 71.9 34.5 63 63 A d S < S- 0 0 15 -4,-1.3 3,-0.3 -5,-0.2 2,-0.3 0.906 72.8-164.9 -66.4 -54.6 -0.3 70.2 37.7 64 64 A G - 0 0 46 -4,-0.3 6,-0.3 -5,-0.2 3,-0.2 -0.673 48.0 -22.3 110.0-149.8 0.5 72.7 40.4 65 65 A I S > S+ 0 0 87 -2,-0.3 3,-2.8 1,-0.2 -1,-0.2 0.868 122.0 70.4 -72.3 -38.9 0.8 72.6 44.1 66 66 A Q T 3 S+ 0 0 32 -3,-0.3 12,-0.2 1,-0.3 -1,-0.2 0.901 102.4 46.0 -42.6 -43.6 -1.5 69.5 44.5 67 67 A d T 3 S- 0 0 1 -3,-0.2 8,-1.6 1,-0.2 2,-0.3 0.321 117.1-119.1 -83.1 1.6 1.4 67.4 42.9 68 68 A G B < -K 74 0D 13 -3,-2.8 -1,-0.2 6,-0.3 6,-0.2 -0.704 58.2 -28.2 94.2-141.4 4.0 69.0 45.1 69 69 A D S > S- 0 0 99 4,-1.4 3,-2.2 -2,-0.3 5,-0.1 -0.414 71.5-129.9-123.3 53.0 7.0 71.0 43.9 70 70 A G G > S+ 0 0 8 -6,-0.3 3,-2.6 1,-0.3 -1,-0.3 0.002 86.4 11.9 50.7-126.2 7.9 69.7 40.4 71 71 A b G 3 S+ 0 0 0 1,-0.3 -44,-2.1 -11,-0.1 -1,-0.3 0.542 124.7 63.2 -69.0 -5.3 11.6 68.8 39.7 72 72 A N G < S- 0 0 100 -3,-2.2 -1,-0.3 1,-0.4 -2,-0.2 0.309 125.6 -73.3 -94.1 3.5 12.3 69.0 43.4 73 73 A G < - 0 0 29 -3,-2.6 -4,-1.4 -46,-0.5 -1,-0.4 -0.336 52.5-157.8 122.2 162.9 9.9 66.1 44.1 74 74 A G B -K 68 0D 20 -6,-0.2 -6,-0.3 -5,-0.1 -7,-0.1 -0.933 23.8 -93.2-163.1 179.4 6.1 65.4 44.1 75 75 A Y >> - 0 0 36 -8,-1.6 3,-1.4 -2,-0.3 4,-1.3 -0.896 19.2-151.7-120.5 110.6 3.2 63.3 45.3 76 76 A P H 3> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.740 96.6 55.4 -37.2 -49.8 1.9 60.4 43.1 77 77 A S H 3> S+ 0 0 7 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.887 103.9 54.6 -67.3 -31.6 -1.7 60.6 44.4 78 78 A G H <> S+ 0 0 0 -3,-1.4 4,-3.0 -12,-0.2 -11,-0.2 0.907 105.6 56.8 -60.6 -35.9 -1.8 64.3 43.4 79 79 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.970 110.2 39.4 -56.6 -62.7 -0.8 63.1 39.9 80 80 A W H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.716 114.5 57.3 -64.8 -25.6 -3.7 60.7 39.4 81 81 A N H X S+ 0 0 25 -4,-1.4 4,-1.2 -5,-0.2 3,-0.4 0.967 107.2 45.7 -67.6 -50.9 -5.9 63.2 41.1 82 82 A F H X>S+ 0 0 14 -4,-3.0 5,-2.7 1,-0.2 4,-2.2 0.877 110.4 56.9 -59.4 -40.4 -5.0 65.9 38.5 83 83 A W H <5S+ 0 0 1 -4,-2.3 64,-1.9 3,-0.2 -1,-0.2 0.887 104.2 50.4 -55.8 -43.3 -5.5 63.2 35.8 84 84 A T H <5S+ 0 0 26 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.778 126.8 25.8 -72.0 -17.0 -9.1 62.5 36.9 85 85 A R H <5S+ 0 0 134 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.2 0.883 137.8 16.4-113.0 -61.4 -9.8 66.2 36.8 86 86 A K T <5S- 0 0 94 -4,-2.2 -3,-0.2 -5,-0.2 -4,-0.1 0.842 98.4-157.7 -84.1 -24.6 -7.7 68.3 34.5 87 87 A G < - 0 0 0 -5,-2.7 2,-0.4 -6,-0.1 59,-0.2 -0.147 11.9 -82.9 71.6-180.0 -6.6 65.2 32.7 88 88 A L B -L 145 0E 0 57,-2.5 57,-1.8 -5,-0.2 2,-0.1 -0.971 23.2-145.0-139.9 125.8 -3.5 64.6 30.6 89 89 A V - 0 0 0 -2,-0.4 -34,-3.4 55,-0.2 2,-0.2 -0.315 34.7-100.2 -75.5 167.2 -2.4 65.2 27.0 90 90 A S B +J 54 0C 8 53,-0.3 11,-2.8 -36,-0.3 10,-0.5 -0.514 42.2 168.3 -84.7 164.2 -0.1 62.9 25.0 91 91 A G B -M 99 0F 1 -38,-2.0 -35,-0.4 9,-0.3 8,-0.2 -0.673 21.5-142.0 179.6 112.3 3.6 63.5 24.6 92 92 A G - 0 0 1 6,-2.2 11,-2.1 -2,-0.2 -36,-0.2 0.153 41.5 -71.7 -64.4-169.2 6.5 61.4 23.3 93 93 A V S > S- 0 0 60 9,-0.2 3,-3.0 1,-0.2 4,-0.4 -0.249 76.0 -51.1 -78.5 169.3 10.0 61.4 24.6 94 94 A Y T 3 S- 0 0 109 1,-0.3 -1,-0.2 11,-0.2 10,-0.1 -0.111 129.6 -4.5 -35.0 129.3 12.7 64.1 24.1 95 95 A N T 3 S+ 0 0 121 8,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.632 98.5 121.6 44.5 24.8 12.8 65.0 20.4 96 96 A S < - 0 0 34 -3,-3.0 -1,-0.2 7,-0.2 -2,-0.1 0.695 59.0-153.8 -69.2 -39.6 10.3 62.2 19.7 97 97 A H + 0 0 122 -4,-0.4 2,-0.3 1,-0.2 -3,-0.1 0.778 46.1 132.1 60.1 36.7 8.0 64.8 18.2 98 98 A I - 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