==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 30-NOV-03 1RN7 . COMPND 2 MOLECULE: CYSTATIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ALVAREZ-FERNANDEZ,Y.H.LIANG,M.ABRAHAMSON,X.D.SU . 112 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 40.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 11 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 11 A A 0 0 124 0, 0.0 2,-2.3 0, 0.0 46,-0.4 0.000 360.0 360.0 360.0 177.0 26.9 -2.5 -1.8 2 12 A G + 0 0 50 44,-0.1 2,-0.3 2,-0.0 46,-0.0 0.056 360.0 135.0 -64.6 34.2 23.2 -1.7 -1.2 3 13 A G - 0 0 30 -2,-2.3 2,-0.5 1,-0.1 44,-0.5 -0.640 61.5-114.9 -91.3 144.9 24.1 -2.0 2.5 4 14 A I - 0 0 101 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.644 38.2-173.5 -78.6 121.2 23.0 0.4 5.2 5 15 A H E -A 45 0A 91 40,-2.9 40,-3.1 -2,-0.5 2,-0.2 -0.846 22.1-115.0-117.8 154.0 25.9 2.2 6.8 6 16 A A E +A 44 0A 91 -2,-0.3 38,-0.3 38,-0.3 2,-0.2 -0.580 37.0 167.9 -86.5 147.9 26.2 4.6 9.8 7 17 A T E -A 43 0A 40 36,-1.6 36,-0.6 -2,-0.2 2,-0.2 -0.819 24.1-128.4-144.1-178.5 27.3 8.2 9.4 8 18 A D > - 0 0 85 -2,-0.2 3,-0.9 34,-0.1 6,-0.1 -0.712 36.8 -95.7-128.2 179.3 27.5 11.4 11.4 9 19 A L T 3 S+ 0 0 60 -2,-0.2 6,-0.0 1,-0.2 33,-0.0 0.088 101.9 90.0 -88.4 25.4 26.3 15.0 10.7 10 20 A N T 3 + 0 0 130 4,-0.0 2,-0.5 5,-0.0 -1,-0.2 0.548 65.6 92.3 -94.0 -9.0 29.7 16.1 9.4 11 21 A D S <> S- 0 0 69 -3,-0.9 4,-2.4 1,-0.1 3,-0.2 -0.756 74.8-142.3 -87.4 124.3 28.8 15.1 5.9 12 22 A K H > S+ 0 0 176 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.833 101.3 51.6 -53.9 -37.1 27.2 18.1 4.0 13 23 A S H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 109.2 49.2 -69.2 -40.2 24.7 15.8 2.3 14 24 A V H > S+ 0 0 4 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 110.7 51.1 -64.7 -42.6 23.6 14.2 5.5 15 25 A Q H X S+ 0 0 84 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.920 108.2 52.0 -59.8 -45.7 23.1 17.7 7.0 16 26 A R H X S+ 0 0 82 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.933 111.3 47.2 -56.9 -47.1 21.1 18.8 4.1 17 27 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.899 111.4 50.1 -61.8 -43.5 18.8 15.8 4.5 18 28 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 108.1 54.3 -62.4 -42.4 18.4 16.3 8.2 19 29 A D H X S+ 0 0 105 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.892 106.1 52.3 -57.9 -39.8 17.5 20.0 7.6 20 30 A F H X S+ 0 0 53 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.917 110.8 47.4 -63.3 -41.4 14.8 18.8 5.2 21 31 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.877 111.2 50.4 -67.3 -37.9 13.4 16.5 7.9 22 32 A I H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.891 111.1 50.1 -67.6 -38.2 13.5 19.3 10.6 23 33 A S H X S+ 0 0 37 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.944 113.0 44.5 -64.4 -50.4 11.7 21.6 8.3 24 34 A E H X>S+ 0 0 56 -4,-2.3 4,-3.3 2,-0.2 5,-1.4 0.910 110.1 55.3 -62.7 -43.6 8.9 19.2 7.5 25 35 A Y H <>S+ 0 0 4 -4,-2.4 5,-3.7 1,-0.2 -1,-0.2 0.960 113.5 41.4 -53.0 -53.9 8.5 18.1 11.1 26 36 A N H <5S+ 0 0 7 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.796 123.5 37.5 -65.6 -32.1 8.0 21.7 12.1 27 37 A K H <5S+ 0 0 143 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.867 134.6 10.8 -90.2 -38.2 5.7 22.7 9.2 28 38 A V T <5S+ 0 0 81 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.842 128.8 36.5-108.3 -51.0 3.6 19.5 8.6 29 39 A I T - B 0 51A 68 3,-2.0 3,-1.3 -2,-0.6 2,-0.5 -0.670 46.3 -75.6-117.6 175.0 20.4 2.3 -4.0 49 59 A V T 3 S+ 0 0 150 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 -0.628 121.0 16.2 -73.4 120.1 19.9 2.3 -7.7 50 60 A G T 3 S- 0 0 44 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.280 130.2 -17.6 102.9 -11.5 18.6 5.7 -8.6 51 61 A G E < S-B 48 0A 5 -3,-1.3 -3,-2.0 45,-0.1 2,-0.3 -0.982 72.8 -72.3 173.4-161.6 19.5 7.6 -5.5 52 62 A V E -BC 47 95A 20 43,-3.3 43,-3.0 -2,-0.3 2,-0.4 -0.935 28.8-145.3-127.7 151.3 20.5 7.6 -1.8 53 63 A N E -BC 46 94A 12 -7,-3.2 -7,-2.2 -2,-0.3 2,-0.4 -0.961 9.1-163.1-119.7 135.4 18.5 6.9 1.3 54 64 A Y E -BC 45 93A 14 39,-3.4 39,-3.3 -2,-0.4 2,-0.5 -0.953 1.1-164.4-117.8 135.1 19.0 8.6 4.7 55 65 A Y E -BC 44 92A 49 -11,-2.9 -11,-1.5 -2,-0.4 2,-0.4 -0.974 10.6-176.7-119.3 127.7 17.6 7.2 8.0 56 66 A F E -BC 43 91A 1 35,-2.3 35,-3.0 -2,-0.5 2,-0.6 -0.978 21.1-164.2-128.4 139.6 17.4 9.4 11.0 57 67 A N E -BC 42 90A 63 -15,-2.1 -15,-1.6 -2,-0.4 2,-0.4 -0.981 30.6-179.0-116.1 109.9 16.4 8.7 14.6 58 68 A V E -BC 41 89A 0 31,-3.5 31,-2.8 -2,-0.6 2,-0.6 -0.930 26.3-156.8-120.4 139.8 15.8 12.1 16.1 59 69 A K E -BC 40 88A 51 -19,-2.1 -20,-3.3 -2,-0.4 -19,-1.0 -0.958 21.4-158.9-110.4 120.2 14.8 13.4 19.5 60 70 A F E -BC 38 87A 1 27,-3.7 27,-1.8 -2,-0.6 2,-0.3 -0.741 7.0-166.2-101.0 152.1 13.2 16.8 19.3 61 71 A G E -BC 37 86A 2 -24,-2.0 -24,-1.3 -2,-0.3 2,-0.4 -0.964 28.3-106.5-132.1 149.2 12.8 19.3 22.1 62 72 A R E -B 36 0A 28 23,-1.7 16,-3.7 -2,-0.3 -26,-0.2 -0.606 33.9-155.5 -80.1 131.0 10.7 22.5 22.3 63 73 A T E -E 77 0B 0 -28,-2.6 14,-0.2 -2,-0.4 22,-0.1 -0.262 27.6-112.2 -91.5-175.2 12.5 25.8 22.0 64 74 A T E S+ 0 0 65 12,-1.6 2,-0.4 -2,-0.1 13,-0.1 0.268 88.8 93.7-101.0 8.1 11.5 29.2 23.2 65 75 A a E S- 0 0 7 -30,-0.3 -30,-3.2 11,-0.2 -2,-0.2 -0.813 73.3-127.5-105.2 143.1 11.0 30.5 19.7 66 76 A T E > -B 34 0A 34 -2,-0.4 3,-1.6 -32,-0.3 -32,-0.2 -0.522 25.7-117.2 -82.5 154.7 7.8 30.5 17.7 67 77 A K T 3 S+ 0 0 56 -34,-1.8 -1,-0.1 1,-0.3 -33,-0.1 0.842 115.0 57.8 -61.6 -33.7 7.9 29.0 14.2 68 78 A S T 3 S+ 0 0 113 -35,-0.3 -1,-0.3 2,-0.0 -34,-0.1 0.571 89.4 106.6 -72.4 -8.4 7.1 32.3 12.6 69 79 A Q < - 0 0 74 -3,-1.6 3,-0.1 1,-0.1 -4,-0.1 -0.453 69.3-123.5 -78.3 144.2 10.2 33.7 14.2 70 80 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.257 81.4 28.1 -79.0 169.4 13.4 34.5 12.3 71 81 A N S S+ 0 0 122 2,-0.1 3,-0.2 -2,-0.0 2,-0.1 0.926 79.8 165.1 39.8 83.5 16.9 33.1 13.0 72 82 A L + 0 0 30 1,-0.1 -5,-0.0 2,-0.1 -1,-0.0 -0.062 41.9 65.7-104.0-153.8 16.0 29.8 14.6 73 83 A D S S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.457 99.5 67.1 50.2 3.4 18.0 26.6 15.3 74 84 A N S S+ 0 0 89 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.114 74.2 123.2-127.3 8.2 20.0 28.7 17.8 75 85 A a - 0 0 3 1,-0.1 -38,-0.1 -10,-0.0 -10,-0.1 -0.608 67.7-118.1 -76.6 123.3 16.9 29.0 20.0 76 86 A P - 0 0 81 0, 0.0 -12,-1.6 0, 0.0 -11,-0.2 -0.247 32.7-106.7 -60.9 151.2 17.4 27.7 23.5 77 87 A F B -E 63 0B 55 -14,-0.2 2,-1.2 -13,-0.1 -14,-0.3 -0.420 31.7-104.8 -75.9 154.6 15.3 24.8 24.5 78 88 A N + 0 0 20 -16,-3.7 -16,-0.2 1,-0.2 7,-0.1 -0.710 41.9 176.0 -81.8 100.7 12.4 25.3 26.9 79 89 A D + 0 0 121 -2,-1.2 -1,-0.2 5,-0.1 5,-0.2 0.631 35.0 126.7 -80.7 -15.1 14.0 23.8 30.1 80 90 A Q >> - 0 0 100 3,-0.1 3,-1.1 1,-0.1 4,-0.9 -0.135 69.9-111.9 -48.0 127.7 10.9 24.8 32.2 81 91 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.447 104.3 16.8 -63.5 133.4 9.4 21.9 34.1 82 92 A K T 34 S+ 0 0 193 2,-0.2 -2,-0.1 -2,-0.1 -3,-0.0 -0.061 121.1 65.3 93.9 -31.9 6.0 21.1 32.6 83 93 A L T <4 S+ 0 0 77 -3,-1.1 2,-0.8 2,-0.0 -3,-0.1 0.443 70.8 107.6-101.4 -2.4 6.7 23.1 29.4 84 94 A K < - 0 0 113 -4,-0.9 2,-0.5 -5,-0.2 -2,-0.2 -0.683 49.4-174.7 -80.2 107.7 9.5 20.8 28.1 85 95 A E + 0 0 72 -2,-0.8 -23,-1.7 -7,-0.1 2,-0.3 -0.920 5.0 175.6-109.3 128.5 8.0 18.9 25.2 86 96 A E E -C 61 0A 42 -2,-0.5 26,-1.5 26,-0.4 2,-0.3 -0.942 5.2-177.7-129.8 151.4 10.2 16.2 23.6 87 97 A E E -CD 60 111A 42 -27,-1.8 -27,-3.7 -2,-0.3 2,-0.5 -0.989 17.3-141.5-152.9 140.1 9.4 13.7 20.8 88 98 A F E +CD 59 110A 75 22,-2.7 22,-2.3 -2,-0.3 2,-0.3 -0.882 24.7 172.9-105.9 131.5 11.2 10.9 19.1 89 99 A b E -CD 58 109A 0 -31,-2.8 -31,-3.5 -2,-0.5 2,-0.4 -0.977 22.5-150.1-136.2 150.2 10.9 10.3 15.3 90 100 A S E -CD 57 108A 33 18,-1.8 18,-1.6 -2,-0.3 2,-0.4 -0.977 20.7-162.0-119.2 130.5 12.5 8.0 12.8 91 101 A F E -CD 56 107A 2 -35,-3.0 -35,-2.3 -2,-0.4 2,-0.5 -0.918 16.1-162.7-118.9 143.9 12.8 9.3 9.2 92 102 A Q E -CD 55 106A 74 14,-2.5 13,-2.2 -2,-0.4 14,-1.6 -0.970 23.1-177.1-122.9 107.8 13.4 7.5 6.0 93 103 A I E -CD 54 104A 0 -39,-3.3 -39,-3.4 -2,-0.5 2,-0.4 -0.904 13.3-154.0-114.7 138.2 14.5 10.1 3.4 94 104 A N E -CD 53 103A 35 9,-2.7 9,-2.1 -2,-0.4 2,-0.4 -0.917 13.0-177.5-112.9 134.4 15.2 9.6 -0.3 95 105 A E E -CD 52 102A 5 -43,-3.0 -43,-3.3 -2,-0.4 7,-0.2 -0.988 24.9-156.9-133.8 139.4 17.5 11.7 -2.4 96 106 A V E > > - D 0 101A 22 5,-2.2 3,-1.9 -2,-0.4 5,-1.3 -0.901 23.1-161.7-108.7 94.3 18.5 11.8 -6.1 97 107 A P G > 5S+ 0 0 52 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.919 82.4 49.3 -39.5 -74.4 21.8 13.7 -5.7 98 108 A W G 3 5S+ 0 0 179 1,-0.3 -47,-0.0 -3,-0.1 -3,-0.0 0.323 114.9 48.1 -55.9 8.7 22.4 14.8 -9.3 99 109 A E G < 5S- 0 0 96 -3,-1.9 -1,-0.3 -2,-0.2 3,-0.1 0.375 100.1-120.9-132.9 4.0 18.8 16.2 -9.4 100 110 A D T < 5 + 0 0 128 -3,-2.1 2,-0.4 -4,-0.4 -2,-0.1 0.843 65.8 142.4 58.2 32.2 18.2 18.3 -6.3 101 111 A K E < +D 96 0A 116 -5,-1.3 -5,-2.2 -4,-0.1 2,-0.3 -0.903 18.5 160.6-108.6 134.0 15.3 15.9 -5.5 102 112 A I E +D 95 0A 36 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.987 4.6 164.2-151.8 141.0 14.5 14.9 -1.9 103 113 A S E -D 94 0A 51 -9,-2.1 -9,-2.7 -2,-0.3 2,-0.8 -0.982 40.0-104.9-153.9 163.1 11.5 13.5 -0.2 104 114 A I E -D 93 0A 47 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.842 25.2-176.1 -96.5 110.2 10.2 11.7 3.0 105 115 A L E - 0 0 89 -13,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.899 68.9 -24.4 -68.8 -41.6 9.5 8.1 2.2 106 116 A N E -D 92 0A 61 -14,-1.6 -14,-2.5 -3,-0.1 2,-0.3 -0.990 55.9-170.5-166.4 162.5 8.2 7.5 5.7 107 117 A Y E -D 91 0A 100 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.983 6.7-164.9-160.3 151.2 8.3 8.7 9.4 108 118 A K E -D 90 0A 145 -18,-1.6 -18,-1.8 -2,-0.3 2,-0.3 -0.946 14.8-174.8-143.6 116.5 7.1 7.5 12.8 109 119 A b E -D 89 0A 33 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.3 -0.843 4.5-178.9-113.8 153.2 7.0 9.9 15.7 110 120 A R E -D 88 0A 199 -22,-2.3 -22,-2.7 -2,-0.3 2,-0.1 -0.958 32.0-114.5-153.1 129.2 6.1 9.3 19.4 111 121 A K E D 87 0A 137 -2,-0.3 -24,-0.2 -24,-0.2 -26,-0.0 -0.431 360.0 360.0 -63.1 132.3 5.9 11.7 22.4 112 122 A V 0 0 117 -26,-1.5 -26,-0.4 -2,-0.1 -1,-0.1 -0.690 360.0 360.0-101.5 360.0 8.7 10.8 24.9