==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM, METAL BINDING PROTEIN 21-JAN-03 1NQ3 . COMPND 2 MOLECULE: 14.3 KDA PERCHLORIC ACID SOLUBLE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAPRA HIRCUS; . AUTHOR D.DERIU,C.BRIAND,E.MISTINIENE,V.NAKTINIS,M.G.GRUTTER . 797 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 183 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 70 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 6 0 0 0 0 0 0 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 0 0 6 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 . 12 1 1 12 2 3 6 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 0 0 0 0 0 5 1 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 3 A S 0 0 101 0, 0.0 2,-0.3 0, 0.0 398,-0.2 0.000 360.0 360.0 360.0 109.3 -10.6 88.7 49.1 2 4 A L E -a 399 0A 27 396,-2.2 398,-2.8 394,-0.2 2,-0.5 -0.729 360.0-125.1 -97.5 144.8 -7.3 89.2 50.8 3 5 A V E -a 400 0A 65 -2,-0.3 23,-2.6 396,-0.2 2,-0.4 -0.757 25.5-172.9 -91.8 128.8 -4.9 92.1 50.2 4 6 A R E -B 25 0B 16 396,-3.1 2,-0.4 -2,-0.5 21,-0.2 -0.978 3.2-176.5-121.7 130.0 -1.3 91.2 49.2 5 7 A R E -B 24 0B 144 19,-3.1 19,-2.8 -2,-0.4 2,-0.6 -0.992 23.5-132.7-133.0 137.7 1.4 93.8 48.9 6 8 A I E -B 23 0B 57 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.770 25.5-141.3 -87.3 118.2 5.0 93.6 47.8 7 9 A I E +B 22 0B 12 15,-2.6 15,-0.8 -2,-0.6 14,-0.6 -0.619 26.2 171.3 -83.1 135.6 7.3 95.4 50.2 8 10 A S + 0 0 98 -2,-0.3 2,-0.3 58,-0.2 6,-0.1 -0.993 4.6 171.3-146.9 136.6 10.2 97.4 48.8 9 11 A T > - 0 0 23 -2,-0.3 3,-0.8 3,-0.2 54,-0.1 -0.999 33.8-148.1-147.7 144.4 12.6 99.8 50.3 10 12 A A T 3 S+ 0 0 84 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.691 96.6 74.8 -80.9 -19.5 15.8 101.6 49.3 11 13 A K T 3 S+ 0 0 122 51,-0.1 -1,-0.2 2,-0.1 51,-0.2 0.396 99.8 47.0 -73.8 3.1 16.9 101.4 52.9 12 14 A A S < S- 0 0 3 -3,-0.8 -3,-0.2 27,-0.1 3,-0.1 -0.985 107.2 -71.3-143.0 152.5 17.7 97.7 52.5 13 15 A P - 0 0 13 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 -0.094 59.1-106.6 -45.3 134.5 19.5 95.6 49.8 14 16 A A - 0 0 63 25,-0.5 2,-1.4 1,-0.1 -4,-0.1 -0.400 23.5-118.1 -68.7 136.5 17.5 95.4 46.6 15 17 A A - 0 0 29 -2,-0.1 2,-0.8 -3,-0.1 4,-0.2 -0.615 36.1-169.5 -76.3 94.9 15.8 92.1 45.7 16 18 A I + 0 0 139 -2,-1.4 4,-0.1 2,-0.1 -1,-0.0 -0.797 53.9 6.5 -92.0 107.3 17.7 91.3 42.5 17 19 A G S S- 0 0 38 -2,-0.8 2,-1.5 2,-0.1 354,-0.1 -0.854 119.3 -16.5 124.5-160.7 16.0 88.5 40.7 18 20 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.290 108.8 72.3 -80.3 52.6 12.7 86.5 41.3 19 21 A Y - 0 0 58 -2,-1.5 2,-0.3 -4,-0.2 354,-0.2 -0.985 66.0-129.1-158.2 163.4 12.0 87.5 44.9 20 22 A S - 0 0 7 352,-1.2 354,-0.5 -2,-0.3 12,-0.3 -0.857 26.8-119.3-117.7 153.3 10.8 90.4 47.0 21 23 A Q S S- 0 0 5 -14,-0.6 11,-2.1 -2,-0.3 2,-0.3 0.866 95.7 -21.1 -56.8 -35.4 12.3 91.9 50.2 22 24 A A E -BC 7 31B 0 -15,-0.8 -15,-2.6 9,-0.2 2,-0.5 -0.957 57.2-137.6-170.7 154.0 9.0 90.9 51.9 23 25 A V E -BC 6 30B 1 7,-2.2 7,-2.8 -2,-0.3 2,-0.6 -0.986 11.2-159.8-123.9 127.5 5.4 90.0 51.2 24 26 A L E +BC 5 29B 4 -19,-2.8 -19,-3.1 -2,-0.5 2,-0.4 -0.939 16.1 175.6-105.9 120.2 2.6 91.4 53.3 25 27 A V E > -BC 4 28B 5 3,-2.6 3,-2.4 -2,-0.6 2,-1.3 -0.983 65.8 -36.0-131.9 121.9 -0.6 89.3 53.0 26 28 A D T 3 S- 0 0 84 -23,-2.6 -2,-0.0 -2,-0.4 3,-0.0 -0.557 125.9 -38.3 67.4 -96.6 -3.6 90.0 55.1 27 29 A R T 3 S+ 0 0 49 -2,-1.3 100,-2.9 98,-0.0 2,-0.4 0.328 116.2 99.9-138.3 4.5 -1.6 91.0 58.1 28 30 A T E < -CD 25 126B 35 -3,-2.4 -3,-2.6 98,-0.2 2,-0.6 -0.807 56.3-152.8 -98.9 135.4 1.3 88.5 58.1 29 31 A I E -CD 24 125B 0 96,-3.7 96,-2.2 -2,-0.4 2,-0.7 -0.925 4.5-162.9-112.9 117.7 4.6 89.6 56.8 30 32 A Y E -CD 23 124B 5 -7,-2.8 -7,-2.2 -2,-0.6 2,-0.5 -0.874 14.0-161.6 -98.3 111.7 7.1 87.2 55.3 31 33 A I E -CD 22 123B 1 92,-2.2 92,-0.8 -2,-0.7 -9,-0.2 -0.835 18.0-120.5 -99.0 128.2 10.5 88.7 55.2 32 34 A S E - 0 0 0 -11,-2.1 343,-0.2 -2,-0.5 91,-0.1 -0.204 45.5 -81.5 -60.0 152.9 13.2 87.3 52.9 33 35 A G E - 0 0 13 341,-1.9 2,-0.4 89,-0.1 89,-0.3 -0.321 50.9-147.1 -57.4 133.8 16.4 86.1 54.5 34 36 A Q E - D 0 121B 11 87,-2.7 87,-2.2 -3,-0.1 2,-0.2 -0.894 13.1-167.7-112.2 137.6 18.7 89.0 55.2 35 37 A L - 0 0 16 -2,-0.4 2,-1.6 85,-0.2 24,-0.2 -0.552 45.6 -88.4-107.3 175.8 22.5 89.0 55.1 36 38 A G S S+ 0 0 0 83,-0.4 9,-2.9 -2,-0.2 2,-0.3 -0.302 74.9 146.8 -84.3 55.2 24.8 91.7 56.4 37 39 A M B -I 44 0C 28 -2,-1.6 7,-0.2 7,-0.3 22,-0.1 -0.695 54.0-113.2 -95.1 143.5 24.8 93.6 53.0 38 40 A D > - 0 0 64 5,-2.6 4,-3.3 -2,-0.3 5,-0.2 -0.557 23.5-135.7 -72.8 130.9 25.1 97.3 52.5 39 41 A P T 4 S+ 0 0 33 0, 0.0 -25,-0.5 0, 0.0 -1,-0.1 0.957 101.8 31.4 -50.3 -62.7 21.8 98.7 51.2 40 42 A A T 4 S+ 0 0 102 1,-0.2 -26,-0.1 -27,-0.1 -2,-0.0 0.914 128.5 40.5 -64.1 -46.3 23.3 101.0 48.5 41 43 A S T 4 S- 0 0 54 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.928 84.0-150.4 -70.3 -49.0 26.4 98.8 47.9 42 44 A G < + 0 0 15 -4,-3.3 2,-0.3 1,-0.4 -2,-0.1 0.646 57.7 123.5 81.9 13.8 24.8 95.4 47.9 43 45 A Q S S- 0 0 110 -5,-0.2 -5,-2.6 -7,-0.0 -1,-0.4 -0.842 74.3 -96.1-110.8 148.0 28.1 94.1 49.2 44 46 A L B -I 37 0C 50 -2,-0.3 -7,-0.3 -7,-0.2 8,-0.1 -0.411 44.9-117.9 -62.4 125.2 28.8 92.2 52.4 45 47 A V > - 0 0 30 -9,-2.9 3,-0.5 -2,-0.2 7,-0.1 -0.379 29.0-119.0 -65.9 140.0 29.9 94.6 55.1 46 48 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.317 82.4 70.3 -76.4 163.9 33.5 94.0 56.4 47 49 A G T 3 S- 0 0 72 4,-0.1 3,-0.3 3,-0.0 2,-0.2 0.108 92.5-107.0 117.7 -22.9 34.2 93.1 60.1 48 50 A G <> - 0 0 28 -3,-0.5 4,-2.8 1,-0.2 3,-0.3 -0.544 65.3 -22.5 102.4-167.1 32.9 89.6 60.3 49 51 A V H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.835 131.0 52.0 -52.9 -43.7 29.9 87.9 61.9 50 52 A V H > S+ 0 0 66 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.914 114.5 43.0 -64.1 -41.8 29.2 90.6 64.5 51 53 A E H > S+ 0 0 76 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.918 114.0 50.4 -69.2 -43.7 29.2 93.4 61.9 52 54 A E H X S+ 0 0 11 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.905 107.8 55.0 -60.7 -40.4 27.1 91.3 59.4 53 55 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.889 107.9 48.2 -60.4 -42.0 24.6 90.6 62.2 54 56 A K H X S+ 0 0 92 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.930 114.6 45.5 -65.6 -44.2 24.1 94.3 62.9 55 57 A Q H X S+ 0 0 38 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.928 111.2 52.5 -65.4 -44.9 23.6 95.1 59.2 56 58 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.934 113.1 44.3 -56.1 -48.7 21.3 92.1 58.7 57 59 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.851 111.7 53.1 -65.6 -35.7 19.1 93.3 61.6 58 60 A T H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.923 107.9 51.5 -64.3 -43.5 19.2 96.9 60.4 59 61 A N H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.885 110.3 49.3 -59.3 -40.1 18.1 95.7 57.0 60 62 A I H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.903 106.3 56.2 -67.0 -40.6 15.2 93.9 58.6 61 63 A G H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.876 108.7 46.8 -58.8 -39.2 14.3 97.0 60.6 62 64 A E H X S+ 0 0 53 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.880 109.9 52.8 -70.7 -39.5 13.9 99.0 57.5 63 65 A I H < S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.954 111.5 46.7 -59.7 -49.0 11.9 96.4 55.7 64 66 A L H ><>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 3,-1.1 0.881 110.1 54.8 -58.7 -40.9 9.5 96.3 58.7 65 67 A K H ><5S+ 0 0 139 -4,-1.8 3,-2.5 1,-0.3 -2,-0.2 0.947 103.5 53.3 -58.2 -51.7 9.4 100.1 58.6 66 68 A A T 3<5S+ 0 0 49 -4,-2.7 -1,-0.3 1,-0.3 -58,-0.2 0.553 109.8 51.2 -62.3 -7.7 8.3 100.2 55.0 67 69 A A T < 5S- 0 0 7 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.234 124.2-101.5-113.4 11.0 5.5 97.9 56.0 68 70 A G T < 5S+ 0 0 63 -3,-2.5 60,-0.3 1,-0.3 2,-0.3 0.824 87.1 111.0 74.0 31.6 4.3 100.0 58.9 69 71 A C < - 0 0 13 -5,-3.0 -1,-0.3 -6,-0.1 2,-0.3 -0.835 46.7-162.9-132.8 170.2 6.0 97.9 61.5 70 72 A D > - 0 0 83 -2,-0.3 3,-2.2 -3,-0.1 4,-0.2 -0.790 51.9 -77.0-138.3-179.3 8.9 97.8 64.0 71 73 A F G > S+ 0 0 32 1,-0.3 3,-1.3 -2,-0.3 26,-0.0 0.691 120.8 71.9 -59.5 -18.8 10.7 95.0 65.9 72 74 A T G 3 S+ 0 0 87 1,-0.2 -1,-0.3 26,-0.0 26,-0.0 0.623 91.2 60.6 -72.8 -11.2 7.8 94.6 68.3 73 75 A N G < S+ 0 0 12 -3,-2.2 53,-2.1 52,-0.0 2,-0.3 0.516 77.4 109.9 -91.8 -7.2 5.7 93.1 65.5 74 76 A V E < +E 125 0B 4 -3,-1.3 51,-0.3 51,-0.2 3,-0.1 -0.547 34.4 169.0 -72.6 128.7 8.2 90.2 65.0 75 77 A V E + 0 0 0 49,-2.6 29,-2.8 1,-0.3 2,-0.3 0.600 65.3 23.0-113.4 -19.3 6.7 86.8 66.1 76 78 A K E -Ef 124 104B 20 48,-1.6 48,-2.7 27,-0.3 2,-0.3 -0.983 60.4-179.8-152.6 136.8 9.2 84.4 64.7 77 79 A A E -Ef 123 105B 2 27,-2.0 29,-1.2 -2,-0.3 2,-0.5 -0.991 12.9-155.4-138.9 147.0 12.9 84.6 63.6 78 80 A T E -Ef 122 106B 11 44,-2.6 44,-1.7 -2,-0.3 2,-0.7 -0.987 7.6-159.6-123.1 125.9 15.4 82.1 62.2 79 81 A V E -Ef 121 107B 1 27,-2.7 29,-1.6 -2,-0.5 2,-0.5 -0.907 7.3-167.1-110.2 107.9 19.1 82.7 62.7 80 82 A L E -Ef 120 108B 0 40,-3.2 40,-2.2 -2,-0.7 2,-0.3 -0.817 10.2-168.6 -95.8 129.0 21.2 80.8 60.2 81 83 A L E -Ef 119 109B 0 27,-2.1 29,-2.4 -2,-0.5 38,-0.2 -0.900 32.0-149.8-122.1 148.8 25.0 80.6 61.0 82 84 A A S S+ 0 0 19 36,-1.8 2,-0.4 -2,-0.3 37,-0.1 0.732 99.9 27.8 -81.8 -22.9 28.1 79.6 59.1 83 85 A D > - 0 0 50 35,-0.5 3,-2.1 25,-0.1 -1,-0.3 -0.961 68.9-148.8-142.0 120.0 29.5 78.5 62.5 84 86 A I G > S+ 0 0 33 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.715 96.2 69.9 -59.9 -19.3 27.5 77.4 65.5 85 87 A N G 3 S+ 0 0 132 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.587 86.3 64.4 -76.6 -9.9 30.2 79.0 67.7 86 88 A D G <> S+ 0 0 38 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.395 72.7 102.7 -91.1 4.2 29.3 82.5 66.8 87 89 A F H <> S+ 0 0 53 -3,-1.1 4,-3.4 1,-0.2 -1,-0.2 0.892 79.2 47.1 -54.7 -46.2 25.8 82.2 68.4 88 90 A S H > S+ 0 0 85 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.922 111.5 51.2 -63.1 -42.9 26.7 84.1 71.5 89 91 A A H > S+ 0 0 35 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.914 116.3 41.6 -59.7 -42.9 28.2 86.9 69.6 90 92 A V H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 3,-0.3 0.899 110.9 56.3 -71.3 -41.7 25.1 87.1 67.4 91 93 A N H X S+ 0 0 28 -4,-3.4 4,-2.2 -5,-0.2 -2,-0.2 0.883 103.3 55.0 -58.1 -40.7 22.7 86.7 70.3 92 94 A D H < S+ 0 0 81 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.865 112.9 42.2 -61.5 -37.4 24.3 89.7 72.1 93 95 A V H >< S+ 0 0 8 -4,-1.0 3,-1.5 -3,-0.3 -2,-0.2 0.936 112.4 54.8 -72.5 -46.8 23.6 91.9 69.0 94 96 A Y H >< S+ 0 0 2 -4,-3.0 3,-1.3 1,-0.3 -2,-0.2 0.808 100.3 59.5 -55.7 -37.4 20.1 90.3 68.5 95 97 A K G >< S+ 0 0 90 -4,-2.2 3,-0.9 1,-0.2 -1,-0.3 0.657 88.9 72.9 -71.4 -15.1 19.0 91.2 72.0 96 98 A Q G < S+ 0 0 120 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.564 94.6 54.4 -75.4 -7.8 19.5 94.9 71.5 97 99 A Y G < S+ 0 0 57 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.2 0.472 101.6 61.0-105.4 -2.3 16.4 95.0 69.3 98 100 A F < + 0 0 17 -3,-0.9 3,-0.1 -4,-0.2 -1,-0.1 -0.983 44.7 179.3-130.7 139.3 13.8 93.5 71.6 99 101 A Q - 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