==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUL-98 1GGU . COMPND 2 MOLECULE: PROTEIN (COAGULATION FACTOR XIII); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.FOX,V.C.YEE,L.C.PEDERSON,I.L.TRONG,P.D.BISHOP, . 1402 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 922 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 390 27.8 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 . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 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 . 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 . 122 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 2 2 2 1 0 3 2 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 1 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 . 3 2 8 1 9 6 8 7 6 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 10 6 4 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 8 A F 0 0 65 0, 0.0 2,-1.1 0, 0.0 969,-0.2 0.000 360.0 360.0 360.0 147.6 19.7 -19.2 41.5 2 9 A G + 0 0 52 1,-0.2 3,-0.2 2,-0.1 966,-0.2 -0.565 360.0 152.2 -96.7 74.4 18.4 -15.7 40.6 3 10 A G + 0 0 1 964,-1.2 1241,-0.4 -2,-1.1 1239,-0.3 0.450 53.0 66.3 -85.2 -3.6 20.5 -13.7 43.1 4 11 A R S S- 0 0 26 1,-0.3 2,-0.3 1239,-0.1 -1,-0.2 0.843 119.6 -6.0 -83.1 -40.9 20.9 -10.2 41.5 5 12 A R - 0 0 63 -3,-0.2 -1,-0.3 1,-0.1 1050,-0.1 -0.974 59.6-134.1-153.5 148.0 17.2 -9.2 41.7 6 13 A A S S+ 0 0 38 1048,-0.6 1049,-0.1 -2,-0.3 -1,-0.1 0.796 100.5 37.1 -73.0 -36.6 14.1 -11.1 42.8 7 14 A V S S- 0 0 31 1047,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.987 93.5-123.4-120.4 126.2 12.1 -9.9 39.8 8 15 A P - 0 0 59 0, 0.0 -2,-0.1 0, 0.0 81,-0.0 -0.124 47.1 -68.6 -60.6 164.2 13.9 -9.6 36.4 9 16 A P - 0 0 61 0, 0.0 2,-0.9 0, 0.0 79,-0.1 -0.270 36.8-146.0 -58.2 139.3 14.0 -6.3 34.5 10 17 A N + 0 0 11 1,-0.1 220,-2.5 -3,-0.1 221,-0.4 -0.762 50.9 135.0-105.5 86.2 10.6 -5.2 33.1 11 18 A N + 0 0 34 -2,-0.9 2,-0.4 218,-0.3 217,-0.2 -0.029 42.2 76.6-128.2 30.1 12.0 -3.6 29.9 12 19 A S - 0 0 28 215,-0.1 76,-0.4 1,-0.1 -1,-0.1 -0.949 47.4-169.2-146.4 117.1 9.9 -4.7 27.1 13 20 A N S S+ 0 0 17 -2,-0.4 74,-0.5 207,-0.3 -1,-0.1 0.736 93.3 58.9 -71.4 -24.9 6.4 -3.4 26.4 14 21 A A S S+ 0 0 76 206,-0.1 -1,-0.2 -3,-0.1 207,-0.0 0.828 89.3 82.1 -75.9 -33.0 6.1 -6.4 23.9 15 22 A A - 0 0 37 1,-0.0 72,-0.4 74,-0.0 2,-0.3 -0.328 63.1-172.4 -69.8 154.2 6.6 -9.1 26.4 16 23 A E - 0 0 86 72,-0.1 72,-0.3 70,-0.1 2,-0.1 -0.998 17.2-145.1-152.4 153.4 3.7 -10.3 28.5 17 24 A D - 0 0 30 70,-0.6 2,-0.6 -2,-0.3 72,-0.1 -0.318 31.7-105.4 -99.8-172.2 2.7 -12.5 31.4 18 25 A D - 0 0 141 70,-0.2 3,-0.0 -2,-0.1 70,-0.0 -0.917 28.5-155.3-122.2 100.8 -0.3 -14.5 32.0 19 26 A L - 0 0 19 -2,-0.6 136,-0.2 1,-0.1 133,-0.0 -0.647 27.5-115.9 -73.8 127.3 -2.6 -12.9 34.6 20 27 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 133,-0.0 -0.332 7.9-144.5 -63.7 150.7 -4.7 -15.6 36.1 21 28 A T 0 0 72 1,-0.2 131,-1.4 130,-0.1 133,-0.1 0.406 360.0 360.0 -90.5 -1.1 -8.5 -15.4 35.6 22 29 A V 0 0 127 129,-0.2 -1,-0.2 127,-0.0 129,-0.2 -0.884 360.0 360.0-149.1 360.0 -8.9 -16.7 39.1 23 ! 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 24 43 A E 0 0 179 0, 0.0 3,-0.1 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 1.4 -23.4 -15.0 40.9 25 44 A F - 0 0 51 1,-0.1 2,-0.1 119,-0.0 126,-0.1 0.629 360.0 -86.2 -88.1 -13.3 -20.6 -12.6 41.6 26 45 A L - 0 0 3 52,-0.1 2,-0.4 47,-0.0 -1,-0.1 0.313 48.3-170.2 108.4 118.8 -20.7 -10.5 38.4 27 46 A N - 0 0 98 44,-0.1 43,-1.6 -2,-0.1 2,-0.2 -0.983 25.1-110.8-137.8 141.5 -18.8 -11.6 35.4 28 47 A V E -A 69 0A 32 -2,-0.4 41,-0.3 41,-0.2 3,-0.1 -0.564 26.3-179.7 -81.1 142.0 -18.3 -9.5 32.3 29 48 A T E - 0 0 87 39,-2.9 2,-0.3 1,-0.4 40,-0.2 0.603 68.3 -6.2-109.7 -23.1 -19.9 -10.3 29.1 30 49 A S E -A 68 0A 42 38,-1.2 38,-2.4 2,-0.0 -1,-0.4 -0.940 55.1-144.4-170.2 154.2 -18.6 -7.6 26.8 31 50 A V E -A 67 0A 33 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.967 11.3-157.9-128.3 138.2 -16.4 -4.5 26.9 32 51 A H E -A 66 0A 63 34,-2.7 34,-2.8 -2,-0.4 2,-0.5 -0.969 10.2-178.5-127.7 116.1 -16.9 -1.3 24.8 33 52 A L E -A 65 0A 19 -2,-0.5 2,-2.2 32,-0.2 32,-0.2 -0.947 31.0-134.9-103.4 128.8 -14.2 1.1 24.1 34 53 A F + 0 0 48 30,-1.0 7,-0.6 -2,-0.5 8,-0.4 -0.546 54.0 148.0 -86.9 73.4 -15.7 3.9 22.0 35 54 A K + 0 0 28 -2,-2.2 -1,-0.2 6,-0.1 2,-0.1 0.164 12.3 125.0 -97.4 8.5 -12.6 3.7 19.8 36 55 A E S > S- 0 0 85 1,-0.1 3,-1.1 -3,-0.1 6,-0.5 -0.485 70.4-119.1 -68.9 148.0 -13.7 4.6 16.4 37 56 A R T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.1 11,-0.0 0.522 113.2 50.7 -69.0 -6.6 -11.7 7.4 15.0 38 57 A W T 3 S+ 0 0 194 4,-0.1 -1,-0.2 5,-0.0 10,-0.0 0.548 95.7 101.5 -99.5 -18.2 -14.8 9.7 14.6 39 58 A D S <> S- 0 0 37 -3,-1.1 4,-2.0 1,-0.1 5,-0.3 -0.145 89.0 -99.3 -71.7 163.0 -15.8 9.1 18.3 40 59 A T H > S+ 0 0 60 3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 114.0 55.9 -45.5 -53.0 -15.4 11.1 21.4 41 60 A N H > S+ 0 0 3 -7,-0.6 4,-1.8 1,-0.2 5,-0.2 0.940 114.5 30.2 -53.0 -71.9 -12.4 9.2 22.6 42 61 A K H 4>S+ 0 0 0 -6,-0.5 5,-3.1 -8,-0.4 6,-0.8 0.860 122.4 51.3 -57.8 -42.2 -9.8 9.5 19.7 43 62 A V H ><5S+ 0 0 53 -4,-2.0 3,-0.8 -7,-0.3 -1,-0.2 0.970 116.3 39.3 -60.0 -51.6 -11.1 12.9 18.5 44 63 A D H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.668 119.4 46.2 -72.9 -22.8 -10.9 14.5 22.0 45 64 A H T 3<5S- 0 0 3 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.406 112.5-125.2 -96.0 -2.0 -7.6 12.7 22.8 46 65 A H T < 5S+ 0 0 40 -3,-0.8 -3,-0.2 -4,-0.5 3,-0.2 0.851 77.7 119.5 60.7 43.6 -6.4 13.8 19.3 47 66 A T < + 0 0 0 -5,-3.1 3,-0.3 9,-0.2 -4,-0.2 0.027 33.3 106.7-122.4 20.8 -5.5 10.3 18.3 48 67 A D S S+ 0 0 50 -6,-0.8 -5,-0.1 1,-0.2 4,-0.1 0.726 71.1 61.3 -74.8 -19.1 -7.9 10.1 15.4 49 68 A K S S+ 0 0 72 -7,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.792 75.0 106.5 -77.1 -30.8 -5.1 10.3 12.8 50 69 A Y S S- 0 0 3 -3,-0.3 2,-2.5 1,-0.2 162,-0.1 -0.340 73.7-132.3 -59.2 127.0 -3.2 7.2 13.8 51 70 A E S S+ 0 0 46 160,-2.1 2,-0.3 2,-0.1 163,-0.3 -0.526 73.2 112.0 -75.6 71.8 -3.7 4.4 11.2 52 71 A N - 0 0 29 -2,-2.5 4,-0.1 -4,-0.1 -2,-0.0 -0.995 62.3-148.8-149.1 140.0 -4.5 2.1 14.1 53 72 A N + 0 0 100 -2,-0.3 2,-0.3 2,-0.1 -18,-0.1 0.200 69.1 90.1-102.9 22.9 -7.6 0.3 15.2 54 73 A K S S- 0 0 35 1,-0.1 107,-0.1 105,-0.0 -2,-0.1 -0.707 89.7 -89.0-113.1 159.8 -7.0 0.3 18.9 55 74 A L E -e 161 0B 0 105,-0.6 107,-1.8 -2,-0.3 2,-0.4 -0.452 45.1-175.4 -62.5 140.2 -8.0 2.8 21.5 56 75 A I E +e 162 0B 0 105,-0.2 2,-0.2 -2,-0.1 107,-0.2 -0.953 9.3 167.2-140.8 118.9 -5.2 5.3 21.8 57 76 A V E -e 163 0B 0 105,-2.9 107,-2.7 -2,-0.4 2,-0.4 -0.670 31.3-117.4-121.1-178.6 -5.6 7.9 24.5 58 77 A R E > -e 164 0B 0 105,-0.3 3,-1.0 -2,-0.2 71,-0.2 -0.953 35.7-104.2-123.2 141.0 -3.3 10.5 26.1 59 78 A R T 3 S+ 0 0 4 105,-2.5 110,-0.1 -2,-0.4 71,-0.1 -0.168 99.4 35.3 -66.5 157.6 -2.4 10.4 29.8 60 79 A G T 3 S+ 0 0 14 70,-0.5 2,-0.4 69,-0.4 -1,-0.2 0.397 101.7 95.8 81.1 1.1 -3.9 12.9 32.3 61 80 A Q S < S- 0 0 45 -3,-1.0 68,-0.4 69,-0.2 -1,-0.2 -0.959 73.3-114.7-131.1 144.3 -7.2 12.8 30.4 62 81 A S - 0 0 43 -2,-0.4 2,-0.3 66,-0.2 66,-0.2 -0.301 28.8-178.2 -75.8 145.7 -10.5 11.0 30.8 63 82 A F E - B 0 127A 0 64,-2.0 64,-2.6 -6,-0.1 2,-0.3 -0.939 23.7-114.9-138.1 158.0 -11.8 8.5 28.3 64 83 A Y E + B 0 126A 81 -2,-0.3 -30,-1.0 62,-0.2 2,-0.3 -0.782 31.5 167.8-101.0 144.5 -15.1 6.5 28.2 65 84 A V E -AB 33 125A 0 60,-1.9 60,-3.0 -2,-0.3 2,-0.4 -0.956 21.8-142.4-145.3 158.0 -15.6 2.8 28.4 66 85 A Q E -AB 32 124A 39 -34,-2.8 -34,-2.7 -2,-0.3 2,-0.5 -0.986 8.2-161.5-129.0 125.6 -18.6 0.6 28.9 67 86 A I E -AB 31 123A 0 56,-3.3 56,-3.5 -2,-0.4 2,-0.5 -0.924 5.9-159.7-106.4 134.7 -18.6 -2.7 30.9 68 87 A D E -AB 30 122A 28 -38,-2.4 -39,-2.9 -2,-0.5 -38,-1.2 -0.934 14.6-161.6-111.7 130.5 -21.4 -5.1 30.3 69 88 A F E -A 28 0A 1 52,-3.0 -41,-0.2 -2,-0.5 52,-0.1 -0.434 34.8-109.8-110.8 175.0 -22.1 -7.6 33.0 70 89 A S S S- 0 0 44 -43,-1.6 -42,-0.1 -2,-0.1 -1,-0.1 0.929 107.6 -2.7 -64.7 -43.6 -23.9 -11.0 33.5 71 90 A R S S- 0 0 74 -44,-0.2 -1,-0.1 50,-0.1 -2,-0.1 -0.795 105.1 -63.0-138.2 169.3 -26.4 -9.1 35.7 72 91 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 49,-0.2 -0.327 51.3-109.3 -67.4 150.3 -26.7 -5.5 36.8 73 92 A Y - 0 0 33 47,-0.3 49,-0.1 -4,-0.0 -47,-0.0 -0.488 31.6-167.0 -70.4 136.4 -24.0 -3.8 39.0 74 93 A D >> - 0 0 74 -2,-0.2 3,-0.7 1,-0.1 4,-0.5 -0.972 18.2-149.0-134.2 113.0 -25.3 -3.1 42.5 75 94 A P T 34 S+ 0 0 71 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.707 94.5 66.3 -51.5 -27.4 -23.1 -0.8 44.7 76 95 A R T 34 S+ 0 0 170 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.938 119.1 11.7 -65.2 -49.0 -24.4 -2.8 47.7 77 96 A R T <4 S+ 0 0 165 -3,-0.7 2,-0.4 2,-0.0 -1,-0.2 -0.044 107.1 86.1-125.9 39.1 -22.7 -6.1 46.9 78 97 A D < - 0 0 18 -4,-0.5 2,-0.4 -3,-0.2 68,-0.1 -0.990 38.9-179.3-141.2 142.9 -20.2 -5.7 44.1 79 98 A L + 0 0 60 66,-0.4 66,-1.8 -2,-0.4 2,-0.3 -0.978 20.6 145.4-142.4 120.9 -16.6 -4.7 43.7 80 99 A F E -G 144 0C 1 -2,-0.4 2,-0.3 64,-0.2 64,-0.2 -0.977 17.7-173.9-148.8 162.7 -14.7 -4.5 40.5 81 100 A R E -G 143 0C 21 62,-2.2 62,-3.3 -2,-0.3 2,-0.3 -0.979 25.6-118.4-158.6 155.2 -12.1 -2.5 38.8 82 101 A V E -GH 142 100C 0 18,-0.9 18,-3.3 -2,-0.3 2,-0.4 -0.673 31.0-164.5 -89.6 148.0 -10.4 -2.1 35.5 83 102 A E E -GH 141 99C 0 58,-2.5 58,-2.8 -2,-0.3 2,-0.4 -0.996 11.2-162.5-137.5 144.3 -6.7 -2.8 35.4 84 103 A Y E -GH 140 98C 0 14,-2.3 14,-2.6 -2,-0.4 2,-0.3 -0.982 16.6-176.0-122.8 131.1 -4.1 -2.0 32.7 85 104 A V E -GH 139 97C 0 54,-2.2 54,-2.8 -2,-0.4 2,-0.4 -0.955 8.4-166.6-130.9 156.1 -0.8 -3.8 32.8 86 105 A I + 0 0 1 10,-2.2 3,-0.1 -2,-0.3 52,-0.1 -0.994 47.0 7.3-142.1 140.4 2.4 -3.6 30.8 87 106 A G S S- 0 0 1 -74,-0.5 -70,-0.6 -72,-0.4 -74,-0.1 0.068 87.2 -72.7 83.4 175.4 5.4 -5.9 30.4 88 107 A R S S+ 0 0 107 -76,-0.4 -1,-0.2 -72,-0.3 -70,-0.2 0.666 125.2 41.3 -80.7 -25.2 6.2 -9.3 31.5 89 108 A Y S S- 0 0 74 -3,-0.1 -1,-0.2 -74,-0.1 7,-0.1 -0.538 76.4-176.0-126.2 69.4 6.7 -8.4 35.2 90 109 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.390 4.1 176.2 -68.9 147.7 4.0 -5.9 36.2 91 110 A Q > > - 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