==== 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 TRANSFERASE 14-JUN-99 1QRK . COMPND 2 MOLECULE: PROTEIN (COAGULATION FACTOR XIII); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.FOX,V.C.YEE,L.C.PEDERSON,I.LE TRONG,P.D.BISHOP, . 1399 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 385 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 2 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 . 128 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.2 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 2 2 1 1 2 1 4 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 2 2 0 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 PARALLEL BRIDGES PER LADDER . 4 3 6 6 6 8 7 6 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 9 7 3 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 9 A G > 0 0 75 0, 0.0 2,-2.4 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 51.2 18.2 -14.7 42.5 2 10 A G T 3 + 0 0 0 1,-0.3 1239,-0.5 1240,-0.1 1237,-0.2 -0.350 360.0 43.9 62.6 -75.4 21.3 -13.3 44.1 3 11 A R T 3 S- 0 0 41 -2,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.937 127.0 -3.8 -66.1 -59.4 21.3 -9.9 42.4 4 12 A R < - 0 0 66 -3,-0.6 -1,-0.2 1,-0.1 1049,-0.1 -0.988 59.0-125.7-141.3 149.6 17.6 -8.9 42.6 5 13 A A S S+ 0 0 32 1047,-0.6 -1,-0.1 -2,-0.3 1048,-0.1 0.891 102.9 19.0 -57.1 -46.1 14.3 -10.5 43.9 6 14 A V S S- 0 0 37 1046,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.963 91.4-112.2-125.9 142.0 12.6 -10.0 40.6 7 15 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.026 44.5 -88.2 -64.7 175.3 14.3 -9.3 37.2 8 16 A P - 0 0 38 0, 0.0 2,-0.8 0, 0.0 77,-0.1 -0.640 28.0-141.4 -86.2 146.1 13.9 -6.0 35.6 9 17 A N + 0 0 13 -2,-0.3 218,-2.5 77,-0.1 219,-0.4 -0.919 42.0 147.9-109.4 99.1 11.0 -5.4 33.2 10 18 A N + 0 0 35 -2,-0.8 2,-0.3 216,-0.3 215,-0.2 -0.162 50.8 81.5-120.6 33.5 12.5 -3.3 30.5 11 19 A S - 0 0 33 213,-0.1 74,-0.4 3,-0.1 216,-0.1 -0.983 52.6-167.9-144.1 129.1 10.3 -4.7 27.8 12 20 A N S S+ 0 0 10 -2,-0.3 72,-0.4 205,-0.3 122,-0.1 0.436 91.8 58.4 -91.3 -9.5 6.7 -3.6 27.0 13 21 A A S S+ 0 0 66 204,-0.1 -1,-0.1 70,-0.1 205,-0.0 0.845 82.3 88.6 -88.7 -41.3 6.2 -6.6 24.8 14 22 A A - 0 0 20 1,-0.0 2,-0.3 69,-0.0 70,-0.2 -0.367 64.6-171.9 -58.9 132.7 7.0 -9.3 27.4 15 23 A E - 0 0 96 70,-0.1 2,-0.4 68,-0.1 70,-0.2 -0.964 20.3-157.6-133.2 150.1 3.7 -10.1 29.0 16 24 A D - 0 0 39 68,-0.6 2,-0.6 -2,-0.3 70,-0.0 -0.905 26.1-123.6-116.5 147.3 2.6 -12.3 32.0 17 25 A D - 0 0 101 -2,-0.4 3,-0.1 68,-0.1 134,-0.0 -0.878 19.6-135.8-102.2 122.7 -0.9 -13.5 32.2 18 26 A L - 0 0 23 -2,-0.6 134,-0.1 1,-0.1 131,-0.0 -0.494 31.0-104.5 -69.7 139.5 -2.8 -12.6 35.3 19 27 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 131,-0.0 -0.317 18.2-141.7 -64.8 148.9 -4.8 -15.5 36.9 20 28 A T 0 0 77 1,-0.3 129,-2.8 128,-0.1 -2,-0.0 0.704 360.0 360.0 -83.6 -26.2 -8.6 -15.5 36.3 21 29 A V 0 0 133 127,-0.2 -1,-0.3 129,-0.0 127,-0.2 -0.954 360.0 360.0-136.6 360.0 -9.4 -16.8 39.8 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 45 A L 0 0 45 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 154.1 -20.7 -10.6 39.8 24 46 A N - 0 0 83 44,-0.2 43,-2.6 116,-0.0 44,-0.4 -0.937 360.0-109.1-170.4 150.2 -18.9 -10.7 36.5 25 47 A V E -A 66 0A 29 -2,-0.3 41,-0.3 41,-0.2 3,-0.1 -0.582 20.5-179.0 -87.5 142.9 -18.3 -8.7 33.3 26 48 A T E S+ 0 0 71 39,-3.2 2,-0.3 1,-0.4 40,-0.2 0.459 73.0 4.6-112.5 -22.4 -19.8 -9.9 29.9 27 49 A S E -A 65 0A 51 38,-1.2 38,-2.9 2,-0.0 2,-0.5 -0.902 57.4-152.3-165.9 140.7 -18.5 -7.1 27.6 28 50 A V E -A 64 0A 42 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.989 15.7-165.9-120.9 122.3 -16.2 -4.1 28.0 29 51 A H E -A 63 0A 94 34,-4.1 34,-3.8 -2,-0.5 2,-0.3 -0.952 8.1-178.2-115.8 126.5 -16.8 -1.2 25.7 30 52 A L E -A 62 0A 8 -2,-0.5 2,-0.9 32,-0.3 32,-0.2 -0.715 36.4-119.8-108.7 161.2 -14.3 1.7 25.2 31 53 A F + 0 0 28 30,-0.9 8,-0.6 -2,-0.3 7,-0.2 -0.552 56.8 148.8-104.5 68.6 -15.3 4.5 22.9 32 54 A K + 0 0 39 -2,-0.9 7,-0.6 6,-0.1 -1,-0.2 0.993 18.6 120.5 -59.7 -75.7 -12.3 3.9 20.6 33 55 A E S > S- 0 0 94 -3,-0.2 3,-2.1 1,-0.2 6,-0.3 0.541 70.5-122.4 -1.2 117.1 -13.6 4.9 17.2 34 56 A R T 3 S+ 0 0 82 1,-0.3 -1,-0.2 15,-0.1 11,-0.1 0.521 113.2 48.6 -50.2 -10.7 -11.6 7.7 15.7 35 57 A W T 3 S+ 0 0 191 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.711 94.5 97.5 -99.8 -27.2 -14.7 9.8 15.4 36 58 A D S <> S- 0 0 35 -3,-2.1 4,-2.0 4,-0.1 5,-0.3 -0.074 89.0 -99.6 -61.1 163.9 -15.8 9.2 19.0 37 59 A T H > S+ 0 0 68 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.901 112.5 56.7 -47.4 -67.6 -15.2 11.5 21.9 38 60 A N H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.828 114.1 34.4 -34.1 -67.3 -12.2 9.8 23.5 39 61 A K H >>S+ 0 0 3 -8,-0.6 5,-2.2 -7,-0.6 4,-1.4 0.958 121.0 49.4 -61.3 -47.1 -9.8 9.8 20.5 40 62 A V H <5S+ 0 0 61 -4,-2.0 -2,-0.2 -7,-0.3 -1,-0.2 0.904 116.5 43.8 -59.1 -35.9 -11.1 13.1 19.3 41 63 A D H <5S+ 0 0 84 -4,-4.0 -1,-0.2 -5,-0.3 -2,-0.2 0.818 113.5 47.6 -80.6 -32.5 -10.7 14.5 22.8 42 64 A H H <5S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.607 108.7-123.7 -84.4 -6.0 -7.3 13.0 23.5 43 65 A H T <5S+ 0 0 49 -4,-1.4 -3,-0.2 -5,-0.2 3,-0.1 0.869 80.7 117.5 65.4 41.4 -6.1 14.2 20.2 44 66 A T > < + 0 0 0 -5,-2.2 3,-0.8 -6,-0.2 -4,-0.2 0.156 35.1 104.9-123.2 22.4 -5.1 10.8 19.2 45 67 A D T 3 + 0 0 46 -6,-0.6 -5,-0.1 1,-0.2 -1,-0.1 0.535 69.8 63.2 -78.6 -16.6 -7.5 10.5 16.2 46 68 A K T 3 S+ 0 0 100 -7,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.627 77.5 107.8 -83.0 -15.2 -4.9 10.9 13.5 47 69 A Y S < S- 0 0 4 -3,-0.8 2,-2.7 1,-0.1 162,-0.2 -0.464 73.5-134.4 -70.2 126.1 -3.1 7.7 14.6 48 70 A E + 0 0 63 160,-2.2 2,-0.4 -2,-0.3 163,-0.4 -0.512 66.1 125.6 -74.4 71.0 -3.6 4.9 12.1 49 71 A N - 0 0 24 -2,-2.7 -15,-0.1 2,-0.1 4,-0.1 -1.000 57.6-151.9-139.0 142.2 -4.3 2.5 15.0 50 72 A N S S+ 0 0 116 -2,-0.4 2,-0.3 2,-0.1 -17,-0.1 -0.240 73.6 75.9-102.8 37.9 -7.2 0.2 15.9 51 73 A K S S- 0 0 37 -19,-0.1 2,-0.4 105,-0.1 107,-0.1 -0.872 94.5 -83.0-138.3 165.6 -6.9 0.4 19.7 52 74 A L E -e 158 0B 1 105,-0.7 107,-2.2 -2,-0.3 2,-0.5 -0.624 44.6-171.0 -73.6 130.7 -7.8 3.0 22.3 53 75 A I E +e 159 0B 0 -2,-0.4 2,-0.2 105,-0.2 107,-0.2 -0.974 10.5 170.8-125.9 115.7 -5.0 5.6 22.6 54 76 A V E -e 160 0B 2 105,-2.6 107,-2.4 -2,-0.5 2,-0.4 -0.707 30.2-123.0-119.3 171.9 -5.3 8.2 25.4 55 77 A R E > -e 161 0B 0 -2,-0.2 3,-0.8 105,-0.2 107,-0.2 -0.968 38.5-104.6-116.7 131.8 -3.0 10.9 26.8 56 78 A R T 3 S+ 0 0 4 105,-2.4 110,-0.1 -2,-0.4 71,-0.1 -0.051 97.6 34.7 -55.6 155.7 -2.1 10.7 30.5 57 79 A G T 3 S+ 0 0 12 70,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.517 100.6 100.1 78.5 8.4 -3.6 13.0 33.2 58 80 A Q S < S- 0 0 48 -3,-0.8 68,-0.3 69,-0.1 -1,-0.2 -0.931 71.0-115.6-128.8 155.2 -7.0 13.1 31.4 59 81 A S + 0 0 58 -2,-0.3 2,-0.3 66,-0.2 66,-0.2 -0.435 30.6 174.8 -86.3 151.1 -10.3 11.4 31.7 60 82 A F E - B 0 124A 4 64,-1.2 64,-2.2 -2,-0.1 2,-0.3 -0.945 28.7-110.8-147.7 157.8 -11.8 9.1 29.1 61 83 A Y E + B 0 123A 87 -2,-0.3 -30,-0.9 62,-0.2 2,-0.3 -0.731 32.7 169.5-100.1 151.5 -14.9 7.0 29.0 62 84 A V E -AB 30 122A 2 60,-2.2 60,-3.4 -2,-0.3 2,-0.4 -0.949 19.1-144.1-146.6 160.2 -15.3 3.2 29.2 63 85 A Q E -AB 29 121A 41 -34,-3.8 -34,-4.1 -2,-0.3 2,-0.4 -0.995 6.7-164.8-136.6 131.9 -18.3 1.0 29.7 64 86 A I E -AB 28 120A 2 56,-2.3 56,-2.5 -2,-0.4 2,-0.6 -0.947 7.0-156.5-116.2 129.0 -18.6 -2.3 31.5 65 87 A D E -AB 27 119A 36 -38,-2.9 -39,-3.2 -2,-0.4 -38,-1.2 -0.948 15.6-158.2-107.2 120.1 -21.6 -4.6 31.0 66 88 A F E -A 25 0A 0 52,-2.1 -41,-0.2 -2,-0.6 4,-0.1 -0.424 29.9-116.8 -93.6 166.7 -22.1 -6.9 33.9 67 89 A S S S+ 0 0 52 -43,-2.6 -42,-0.1 -2,-0.1 -1,-0.1 0.804 104.3 11.0 -69.9 -26.9 -23.9 -10.2 34.0 68 90 A R S S- 0 0 56 -44,-0.4 -44,-0.2 50,-0.1 -2,-0.1 -0.911 106.2 -65.4-143.6 166.5 -26.2 -8.4 36.4 69 91 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.257 52.3-116.0 -56.1 135.7 -26.8 -4.9 37.7 70 92 A Y - 0 0 28 49,-0.2 48,-0.1 -4,-0.1 49,-0.1 -0.597 30.5-161.4 -72.5 136.6 -23.9 -3.5 39.7 71 93 A D > - 0 0 53 -2,-0.3 4,-1.3 1,-0.1 3,-0.1 -0.974 16.2-147.8-125.2 112.3 -25.0 -2.9 43.2 72 94 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.595 92.2 60.6 -52.9 -12.9 -22.9 -0.4 45.3 73 95 A R T 4 S+ 0 0 207 1,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.977 119.6 11.8 -79.4 -69.2 -23.8 -2.5 48.4 74 96 A R T 4 S+ 0 0 168 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.225 112.9 90.1 -97.0 12.0 -22.5 -6.1 48.0 75 97 A D < + 0 0 16 -4,-1.3 2,-0.3 68,-0.0 68,-0.0 -0.898 43.5 170.6-118.3 142.7 -20.4 -5.4 44.9 76 98 A L + 0 0 72 -2,-0.4 66,-1.2 2,-0.0 2,-0.3 -0.981 12.5 147.0-148.8 128.9 -16.8 -4.3 44.6 77 99 A F E -G 141 0C 3 -2,-0.3 22,-0.5 64,-0.2 2,-0.3 -0.958 18.4-168.7-155.1 168.1 -14.6 -4.1 41.5 78 100 A R E -G 140 0C 31 62,-1.9 62,-3.1 -2,-0.3 2,-0.3 -0.952 26.6-115.6-164.0 145.1 -11.8 -2.1 39.9 79 101 A V E -GH 139 97C 1 18,-1.2 18,-3.1 -2,-0.3 2,-0.4 -0.665 32.2-150.4 -80.9 142.9 -10.2 -1.9 36.5 80 102 A E E -GH 138 96C 0 58,-2.5 58,-1.7 -2,-0.3 2,-0.4 -0.959 11.8-166.7-122.3 136.9 -6.5 -3.0 36.3 81 103 A Y E +GH 137 95C 1 14,-2.2 14,-3.1 -2,-0.4 2,-0.4 -0.970 15.0 177.4-118.6 129.8 -3.7 -1.8 34.0 82 104 A V E -GH 136 94C 0 54,-1.2 54,-1.7 -2,-0.4 2,-0.4 -1.000 7.6-167.0-136.5 139.9 -0.6 -3.9 33.8 83 105 A I - 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