==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COAGULATION FACTOR 16-JAN-98 1F13 . COMPND 2 MOLECULE: CELLULAR COAGULATION FACTOR XIII ZYMOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.S.WEISS,R.HILGENFELD . 1439 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 398 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 12 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 . 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 . 119 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 4 1 3 2 0 2 1 3 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 . 5 0 8 6 4 11 4 9 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 . 0 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 5 A R 0 0 213 0, 0.0 995,-0.1 0, 0.0 1426,-0.1 0.000 360.0 360.0 360.0 -28.6 -16.2 52.9 30.7 2 6 A T - 0 0 50 993,-0.2 993,-0.1 992,-0.1 994,-0.0 0.830 360.0-144.4 -74.9-110.4 -14.6 50.5 33.3 3 7 A A + 0 0 71 991,-0.4 993,-0.2 0, 0.0 -1,-0.1 -0.035 32.7 165.3 171.0 -47.3 -11.2 51.4 34.9 4 8 A F - 0 0 34 1,-0.1 2,-0.8 991,-0.1 992,-0.2 0.715 35.5-136.5 7.6 136.0 -9.2 48.1 35.4 5 9 A G + 0 0 49 1,-0.1 989,-0.2 4,-0.1 -1,-0.1 -0.853 29.7 168.0-109.3 95.9 -5.5 47.5 36.2 6 10 A G + 0 0 1 987,-1.9 1271,-0.4 -2,-0.8 1269,-0.2 0.576 61.5 71.1 -87.1 -8.8 -4.4 44.7 33.9 7 11 A R S S- 0 0 37 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.901 115.0 -7.5 -74.6 -39.0 -0.6 44.9 34.3 8 12 A R - 0 0 81 -3,-0.1 -1,-0.3 1,-0.1 1073,-0.1 -0.990 56.9-127.4-158.0 150.4 -0.5 43.7 37.9 9 13 A A S S+ 0 0 45 1071,-0.5 -1,-0.1 -2,-0.3 1072,-0.1 0.840 101.5 33.6 -68.9 -34.4 -3.0 42.7 40.7 10 14 A V S S- 0 0 27 1070,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.976 90.5-115.7-126.0 137.2 -1.2 45.0 43.2 11 15 A P - 0 0 60 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.212 53.0 -79.8 -62.6 158.6 0.6 48.3 42.4 12 16 A P - 0 0 55 0, 0.0 2,-1.2 0, 0.0 89,-0.1 -0.347 35.6-135.1 -64.5 140.2 4.3 48.3 43.0 13 17 A N + 0 0 16 1,-0.1 230,-2.8 89,-0.1 231,-0.4 -0.735 54.4 136.1 -94.9 88.3 5.4 48.7 46.6 14 18 A N + 0 0 34 -2,-1.2 2,-0.4 228,-0.3 -1,-0.1 0.130 40.7 75.0-129.2 24.0 8.1 51.2 46.2 15 19 A S - 0 0 30 1,-0.1 86,-0.3 225,-0.1 228,-0.1 -0.999 47.3-166.2-135.6 133.7 7.9 54.0 48.8 16 20 A N S S+ 0 0 16 -2,-0.4 84,-0.5 217,-0.2 -1,-0.1 0.803 92.3 61.0 -85.9 -29.3 8.8 53.6 52.4 17 21 A A S S+ 0 0 76 216,-0.1 2,-0.2 82,-0.1 -1,-0.1 0.792 90.4 82.6 -66.1 -30.4 6.9 56.9 53.2 18 22 A A - 0 0 20 81,-0.0 82,-0.4 84,-0.0 2,-0.3 -0.478 62.5-175.7 -76.8 148.0 3.6 55.5 52.0 19 23 A E - 0 0 91 -2,-0.2 82,-0.3 82,-0.1 2,-0.1 -0.989 17.7-138.6-147.7 150.6 1.5 53.3 54.4 20 24 A D - 0 0 42 80,-0.8 2,-0.6 -2,-0.3 82,-0.1 -0.393 28.3-108.6 -96.4 177.0 -1.7 51.3 54.5 21 25 A D - 0 0 154 80,-0.1 80,-0.0 -2,-0.1 -2,-0.0 -0.956 26.0-158.5-111.6 112.1 -4.3 51.0 57.2 22 26 A L - 0 0 30 -2,-0.6 146,-0.2 1,-0.1 2,-0.1 -0.750 27.8-113.2 -87.6 135.8 -4.3 47.7 59.1 23 27 A P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.418 10.5-145.1 -67.2 143.9 -7.7 47.1 60.8 24 28 A T S S+ 0 0 73 1,-0.3 141,-2.9 140,-0.1 2,-0.3 0.693 93.1 26.3 -81.5 -19.9 -7.7 47.1 64.6 25 29 A V E +A 164 0A 73 139,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.987 67.4 174.4-141.3 134.7 -10.3 44.3 64.5 26 30 A E E +A 163 0A 75 137,-2.6 137,-2.3 -2,-0.3 2,-0.3 -0.787 9.4 172.4-148.2 95.6 -10.8 41.8 61.7 27 31 A L E -A 162 0A 69 -2,-0.3 2,-0.4 135,-0.2 135,-0.2 -0.786 10.4-168.0-107.1 151.7 -13.3 39.0 62.2 28 32 A Q + 0 0 170 133,-1.7 2,-0.1 -2,-0.3 -2,-0.0 -0.999 49.9 8.1-141.4 133.0 -14.5 36.4 59.7 29 33 A G S S- 0 0 58 -2,-0.4 2,-0.1 133,-0.0 -2,-0.0 -0.261 98.7 -34.9 91.5 177.5 -17.4 34.0 59.9 30 34 A V 0 0 143 1,-0.1 -2,-0.1 -2,-0.1 0, 0.0 -0.411 360.0 360.0 -73.2 151.7 -20.2 33.6 62.5 31 35 A V 0 0 111 -2,-0.1 -1,-0.1 -4,-0.1 -3,-0.0 0.843 360.0 360.0 -95.3 360.0 -19.6 34.4 66.2 32 ! 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 33 39 A V 0 0 120 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 174.5 -19.3 36.0 73.1 34 40 A N > - 0 0 94 1,-0.1 3,-0.5 2,-0.0 4,-0.1 -0.718 360.0-170.0 -86.2 122.6 -17.1 38.5 74.9 35 41 A L G > S+ 0 0 67 -2,-0.5 3,-1.3 1,-0.2 -1,-0.1 0.648 87.0 71.2 -79.7 -19.0 -14.2 39.9 72.9 36 42 A Q G 3 S+ 0 0 138 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.632 79.6 77.5 -71.5 -14.4 -13.0 41.4 76.2 37 43 A E G < S+ 0 0 72 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.732 87.0 74.4 -66.1 -24.9 -12.1 37.8 77.2 38 44 A F S < S- 0 0 22 -3,-1.3 121,-0.1 1,-0.2 53,-0.1 -0.441 97.3 -77.1 -90.3 165.3 -9.0 38.0 75.0 39 45 A L - 0 0 1 119,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.112 41.6-163.9 -58.5 152.8 -5.7 39.8 75.5 40 46 A N - 0 0 67 44,-0.2 43,-1.2 -4,-0.0 2,-0.6 -0.995 18.3-127.4-140.5 138.5 -5.5 43.5 75.1 41 47 A V E +E 82 0B 35 -2,-0.3 41,-0.3 41,-0.2 3,-0.1 -0.784 24.8 175.2 -91.0 120.9 -2.3 45.6 74.7 42 48 A T E - 0 0 92 39,-3.8 2,-0.3 -2,-0.6 40,-0.2 0.794 68.3 -13.0 -91.7 -32.9 -2.1 48.5 77.1 43 49 A S E -E 81 0B 38 38,-1.7 38,-3.1 2,-0.0 2,-0.4 -0.991 53.2-138.7-165.0 160.5 1.4 49.6 76.1 44 50 A V E -E 80 0B 33 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.984 12.8-162.3-126.6 133.3 4.6 48.7 74.2 45 51 A H E +E 79 0B 72 34,-3.4 34,-3.1 -2,-0.4 -2,-0.0 -0.974 11.3 179.2-123.3 126.2 8.2 49.3 75.3 46 52 A L - 0 0 8 -2,-0.5 31,-0.2 32,-0.2 -1,-0.1 0.514 34.7-134.4 -99.3 -11.9 11.1 49.2 72.9 47 53 A F + 0 0 52 1,-0.1 7,-0.6 32,-0.1 8,-0.4 0.954 52.4 151.4 52.7 53.0 13.9 50.0 75.3 48 54 A K + 0 0 41 6,-0.1 -1,-0.1 18,-0.1 2,-0.1 0.126 12.1 129.2-105.4 20.7 15.1 52.4 72.7 49 55 A E > - 0 0 100 1,-0.1 3,-0.6 19,-0.0 6,-0.5 -0.429 68.4-116.1 -72.8 149.7 16.9 55.0 74.8 50 56 A R T 3 S+ 0 0 87 1,-0.2 -1,-0.1 5,-0.1 10,-0.1 0.690 113.9 44.8 -64.8 -18.7 20.4 55.8 73.6 51 57 A W T 3 S+ 0 0 193 4,-0.1 -1,-0.2 5,-0.0 10,-0.0 0.651 96.1 102.4 -94.6 -18.9 22.2 54.5 76.7 52 58 A D S <> S- 0 0 33 -3,-0.6 4,-1.5 1,-0.1 5,-0.2 -0.062 86.7-105.0 -60.5 166.1 20.0 51.3 76.7 53 59 A T H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.674 108.6 62.7 -72.2 -22.5 21.2 47.9 75.5 54 60 A N H > S+ 0 0 4 -7,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.991 111.1 36.1 -66.7 -59.3 19.3 47.7 72.2 55 61 A K H 4>S+ 0 0 0 -6,-0.5 5,-3.0 -8,-0.4 6,-0.9 0.887 119.5 50.1 -61.4 -38.6 21.0 50.7 70.5 56 62 A V H ><5S+ 0 0 62 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.946 114.0 43.2 -67.8 -46.0 24.4 50.0 72.2 57 63 A D H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.672 116.4 48.8 -72.1 -19.1 24.5 46.3 71.2 58 64 A H T 3<5S- 0 0 2 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.406 109.4-124.5 -98.2 -0.5 23.2 47.2 67.7 59 65 A H T < 5S+ 0 0 46 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.912 80.5 115.6 57.2 44.5 25.8 50.0 67.3 60 66 A T > < + 0 0 0 -5,-3.0 3,-0.8 -6,-0.2 -4,-0.2 0.236 34.5 102.8-124.4 11.4 23.0 52.4 66.5 61 67 A D T 3 S+ 0 0 54 -6,-0.9 4,-0.1 1,-0.2 -5,-0.1 0.703 71.3 66.1 -71.3 -16.0 23.5 54.7 69.6 62 68 A K T 3 S+ 0 0 89 -7,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.778 74.5 103.9 -77.5 -25.4 25.2 57.4 67.6 63 69 A Y S < S- 0 0 3 -3,-0.8 2,-2.5 1,-0.1 162,-0.2 -0.372 74.6-131.9 -62.0 130.1 22.3 58.4 65.4 64 70 A E S S+ 0 0 53 160,-2.8 163,-0.4 -2,-0.1 2,-0.3 -0.506 72.5 113.3 -77.1 72.8 20.6 61.6 66.4 65 71 A N - 0 0 24 -2,-2.5 4,-0.1 -4,-0.1 -2,-0.0 -0.982 59.1-152.6-148.9 134.4 17.2 59.9 66.2 66 72 A N + 0 0 109 -2,-0.3 2,-0.2 2,-0.1 -18,-0.1 0.431 69.1 88.3 -92.8 4.3 14.8 59.0 69.0 67 73 A K S S- 0 0 35 1,-0.1 2,-0.2 -18,-0.0 107,-0.1 -0.529 92.9 -82.6 -94.6 165.6 13.1 56.0 67.4 68 74 A L E -i 174 0C 0 105,-0.5 107,-2.5 103,-0.3 2,-0.4 -0.470 46.0-173.2 -68.6 133.2 14.3 52.4 67.8 69 75 A I E +i 175 0C 0 105,-0.2 2,-0.3 -2,-0.2 107,-0.2 -0.976 11.6 163.7-131.3 116.0 17.1 51.6 65.3 70 76 A V E -i 176 0C 0 105,-3.0 107,-2.6 -2,-0.4 2,-0.4 -0.788 31.4-120.7-124.8 173.2 18.3 48.0 65.1 71 77 A R E > -i 177 0C 0 -2,-0.3 3,-0.9 105,-0.3 71,-0.2 -0.903 37.2 -96.3-117.4 145.9 20.4 46.0 62.6 72 78 A R T 3 S+ 0 0 4 105,-3.1 110,-0.1 -2,-0.4 113,-0.1 -0.106 98.9 23.2 -62.6 154.2 19.2 42.9 60.8 73 79 A G T 3 S+ 0 0 16 70,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.459 101.0 97.1 73.0 6.4 19.9 39.3 61.9 74 80 A Q S < S- 0 0 47 -3,-0.9 68,-0.4 69,-0.2 -1,-0.1 -0.982 73.7-114.0-130.3 135.7 20.5 40.2 65.5 75 81 A S - 0 0 47 -2,-0.4 2,-0.3 66,-0.2 66,-0.2 -0.155 29.6-177.8 -70.2 151.5 18.0 40.0 68.4 76 82 A F E - F 0 140B 1 64,-1.8 64,-3.4 -6,-0.1 2,-0.4 -0.942 23.3-111.5-142.0 163.1 16.6 43.0 70.4 77 83 A Y E + F 0 139B 95 -2,-0.3 2,-0.3 62,-0.2 62,-0.2 -0.838 30.7 168.2-106.2 139.9 14.3 43.3 73.3 78 84 A V E - F 0 138B 0 60,-1.9 60,-2.8 -2,-0.4 2,-0.4 -0.922 19.4-144.7-139.0 163.3 10.8 44.7 73.6 79 85 A Q E -EF 45 137B 35 -34,-3.1 -34,-3.4 -2,-0.3 2,-0.5 -0.996 6.0-159.9-135.1 130.7 8.1 44.6 76.3 80 86 A I E -EF 44 136B 0 56,-2.7 56,-2.0 -2,-0.4 2,-0.7 -0.939 5.6-155.0-113.0 125.6 4.4 44.3 75.9 81 87 A D E -EF 43 135B 30 -38,-3.1 -39,-3.8 -2,-0.5 -38,-1.7 -0.886 19.3-169.7 -99.6 114.0 2.0 45.3 78.7 82 88 A F E -E 41 0B 2 52,-3.7 -41,-0.2 -2,-0.7 52,-0.1 -0.264 35.7-110.1 -94.0-177.6 -1.4 43.6 78.4 83 89 A S S S+ 0 0 41 -43,-1.2 -42,-0.1 1,-0.2 52,-0.1 0.622 102.8 5.7 -86.9 -15.9 -4.7 44.0 80.2 84 90 A R S S- 0 0 48 -44,-0.3 -1,-0.2 50,-0.3 -44,-0.2 -0.956 103.5 -65.5-158.4 159.7 -4.3 40.8 82.1 85 91 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.145 54.2-106.6 -54.0 147.1 -1.4 38.2 82.5 86 92 A Y - 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0 0 72 450,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.817 64.9-174.6-108.2 -62.4 31.9 79.7 37.2 277 283 A Y > - 0 0 6 1,-0.2 3,-1.1 2,-0.1 2,-0.1 0.922 15.4-171.4 62.9 46.9 29.0 77.9 39.0 278 284 A A T 3 + 0 0 52 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 -0.456 68.3 19.1 -68.3 141.9 26.5 80.7 38.6 279 285 A Y T 3 S+ 0 0 226 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.743 123.2 50.9 70.1 26.9 23.3 80.1 40.5 280 286 A G S < S- 0 0 35 -3,-1.1 25,-0.2 23,-0.1 -1,-0.2 -0.890 92.1 -73.6-165.5-168.1 24.8 77.5 42.8 281 287 A V - 0 0 27 23,-2.4 -4,-0.1 -2,-0.3 5,-0.1 -0.915 49.9-110.6-108.5 131.7 27.6 76.6 45.2 282 288 A P >> - 0 0 21 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.362 24.3-122.7 -60.9 136.8 31.0 75.8 43.8 283 289 A P T 34 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 24,-0.2 0.785 111.8 59.7 -48.8 -28.9 32.0 72.1 44.1 284 290 A S T 34 S+ 0 0 0 1,-0.2 419,-0.1 22,-0.1 427,-0.1 0.712 93.7 64.0 -73.2 -26.9 35.0 73.2 46.1 285 291 A A T <4 S+ 0 0 1 -3,-2.0 -1,-0.2 417,-0.1 419,-0.1 0.824 75.3 104.2 -69.4 -32.8 33.1 75.0 48.8 286 292 A W < - 0 0 12 -4,-0.8 3,-0.1 -3,-0.3 374,-0.1 -0.173 45.5-173.2 -55.4 139.4 31.3 71.9 50.3 287 293 A T - 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