==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 16-APR-12 4AQB . COMPND 2 MOLECULE: MANNAN-BINDING LECTIN SERINE PROTEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.O.SKJOEDT,P.ROVERSI,T.HUMMELSHOJ,Y.PALARASAH,S.JOHNSON,S.M . 345 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 4 4 1 4 6 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 1 3 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 22 A V 0 0 110 0, 0.0 27,-1.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 108.6 -20.7 -11.1 8.9 2 23 A E E +a 28 0A 182 25,-0.2 2,-0.3 2,-0.0 27,-0.1 -0.844 360.0 177.8-101.3 134.1 -16.9 -11.5 9.1 3 24 A L E +a 29 0A 66 25,-1.9 27,-1.3 -2,-0.4 2,-0.5 -0.889 10.3 172.5-140.8 110.4 -14.5 -9.7 6.5 4 25 A N E +a 30 0A 131 -2,-0.3 2,-0.2 25,-0.2 27,-0.2 -0.966 39.8 92.5-118.6 116.2 -10.6 -9.7 6.4 5 26 A N S S- 0 0 44 25,-1.0 3,-0.1 -2,-0.5 -2,-0.1 -0.913 78.8 -85.5-175.0-166.7 -9.1 -8.1 3.2 6 27 A M S S+ 0 0 120 -2,-0.2 110,-3.1 1,-0.2 2,-0.3 0.506 98.7 2.8-100.7 -17.8 -7.6 -4.7 1.7 7 28 A F E +E 115 0B 155 108,-0.3 2,-0.3 2,-0.0 108,-0.3 -0.965 64.8 154.9-160.3 169.2 -10.9 -3.1 0.4 8 29 A G E -E 114 0B 18 106,-1.9 106,-2.5 -2,-0.3 2,-0.4 -0.946 31.7-114.8 170.4 167.8 -14.6 -3.5 0.2 9 30 A Q E -E 113 0B 100 -2,-0.3 2,-0.4 104,-0.2 104,-0.2 -0.943 21.9-167.3-122.2 142.4 -18.2 -2.2 -0.1 10 31 A I E +E 112 0B 5 102,-2.8 102,-3.6 -2,-0.4 2,-0.3 -0.999 6.8 179.8-133.2 134.8 -20.9 -2.3 2.6 11 32 A Q E -E 111 0B 78 -2,-0.4 100,-0.2 100,-0.2 3,-0.1 -0.911 32.9-104.3-129.0 158.4 -24.6 -1.6 2.1 12 33 A S > - 0 0 4 98,-1.7 3,-2.0 -2,-0.3 100,-0.0 -0.470 57.7 -80.0 -75.2 152.7 -27.7 -1.6 4.4 13 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 -0.320 120.1 17.5 -56.0 130.7 -30.1 -4.6 4.0 14 35 A G T > S- 0 0 46 1,-0.3 3,-2.4 5,-0.2 5,-0.0 0.138 96.3-167.2 93.7 -18.4 -32.3 -4.0 1.0 15 36 A Y T < S+ 0 0 58 -3,-2.0 -1,-0.3 1,-0.4 3,-0.1 -0.115 71.0 25.0 -45.5 135.1 -30.1 -1.2 -0.6 16 37 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 -0.986 124.5 63.9 -81.6 4.3 -31.0 0.6 -2.9 17 38 A D S < S- 0 0 118 -3,-2.4 90,-0.0 1,-0.2 0, 0.0 -0.365 106.3 -71.9 -82.3 166.2 -34.5 -0.1 -1.6 18 39 A S - 0 0 39 1,-0.1 90,-0.3 -3,-0.1 -1,-0.2 -0.282 56.4-110.9 -58.2 138.8 -35.8 0.9 1.9 19 40 A Y - 0 0 0 88,-1.8 88,-0.2 1,-0.1 -5,-0.2 -0.401 31.5-108.2 -72.7 150.8 -34.3 -1.2 4.7 20 41 A P - 0 0 60 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.350 33.5-108.9 -75.5 160.3 -36.4 -3.6 6.7 21 42 A S S S+ 0 0 61 1,-0.2 80,-0.2 80,-0.1 79,-0.1 -0.411 95.0 27.8 -83.0 163.8 -37.5 -3.0 10.4 22 43 A D S S+ 0 0 107 78,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.895 88.1 141.6 49.7 49.6 -36.0 -4.9 13.4 23 44 A S E - B 0 99A 19 76,-1.0 76,-2.7 -3,-0.3 2,-0.3 -0.950 28.9-179.5-122.0 142.6 -32.7 -5.6 11.6 24 45 A E E + B 0 98A 134 -2,-0.4 2,-0.4 74,-0.2 74,-0.2 -0.923 5.8 174.4-144.9 113.3 -29.2 -5.7 13.1 25 46 A V E - B 0 97A 36 72,-2.2 72,-2.7 -2,-0.3 2,-0.4 -0.983 10.6-163.1-124.4 133.7 -26.1 -6.4 11.0 26 47 A T E - B 0 96A 50 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.958 0.5-164.9-117.1 133.6 -22.4 -6.2 12.1 27 48 A W E - B 0 95A 26 68,-3.0 68,-2.6 -2,-0.4 2,-0.6 -0.980 6.5-158.3-117.4 121.6 -19.4 -6.1 9.8 28 49 A N E -aB 2 94A 58 -27,-1.4 -25,-1.9 -2,-0.5 2,-0.6 -0.899 7.1-164.4-101.8 121.8 -16.0 -6.8 11.3 29 50 A I E +aB 3 93A 0 64,-3.5 64,-2.3 -2,-0.6 2,-0.4 -0.942 9.9 177.1-111.5 117.4 -13.1 -5.4 9.2 30 51 A T E -aB 4 92A 61 -27,-1.3 -25,-1.0 -2,-0.6 62,-0.2 -0.975 2.9-176.8-120.7 131.8 -9.5 -6.7 9.9 31 52 A V - 0 0 5 60,-2.3 4,-0.1 -2,-0.4 3,-0.1 -0.805 35.7 -88.5-117.7 162.1 -6.4 -5.6 8.0 32 53 A P > - 0 0 71 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.151 58.6 -76.6 -65.1 166.7 -2.8 -6.8 8.4 33 54 A D T 3 S+ 0 0 140 1,-0.2 3,-0.1 57,-0.0 57,-0.0 -0.339 118.7 39.6 -64.1 142.2 -0.3 -5.2 10.8 34 55 A G T 3 S+ 0 0 18 1,-0.3 85,-2.6 -3,-0.1 107,-0.5 0.466 102.0 95.9 93.1 5.4 1.1 -1.9 9.6 35 56 A F E < -F 118 0B 27 -3,-1.1 -1,-0.3 83,-0.2 2,-0.2 -0.918 52.9-161.4-127.4 155.0 -2.3 -0.8 8.1 36 57 A R E -F 117 0B 74 81,-2.8 81,-2.4 -2,-0.3 2,-0.5 -0.703 27.1-107.2-121.4 173.2 -5.3 1.3 9.3 37 58 A I E -F 116 0B 0 53,-0.6 51,-2.4 -2,-0.2 2,-0.5 -0.931 22.0-162.9-111.1 131.3 -8.9 1.4 8.0 38 59 A K E -FG 115 87B 71 77,-2.3 77,-1.4 -2,-0.5 2,-0.4 -0.951 13.9-175.8-110.9 124.5 -10.4 4.3 6.0 39 60 A L E +FG 114 86B 0 47,-2.3 47,-3.4 -2,-0.5 2,-0.3 -0.986 9.1 160.0-127.6 134.6 -14.2 4.5 5.8 40 61 A Y E -F 113 0B 71 73,-2.2 73,-2.5 -2,-0.4 2,-0.4 -0.948 27.2-126.6-146.4 163.5 -16.5 6.8 3.9 41 62 A F E -F 112 0B 9 41,-0.5 71,-0.2 43,-0.3 3,-0.1 -0.920 15.6-177.0-120.4 141.4 -20.1 7.0 2.6 42 63 A M E S+ 0 0 109 69,-2.6 2,-0.3 -2,-0.4 70,-0.1 0.620 84.3 19.1-102.9 -22.5 -21.6 7.7 -0.9 43 64 A H E +F 111 0B 55 68,-1.1 68,-2.2 39,-0.0 -1,-0.4 -0.978 62.1 176.5-150.5 135.7 -25.3 7.6 0.3 44 65 A F E +F 110 0B 1 -2,-0.3 29,-2.1 66,-0.2 2,-0.3 -0.875 10.7 156.8-148.6 111.5 -26.8 8.0 3.8 45 66 A N E +FH 109 72B 27 64,-3.2 64,-2.1 -2,-0.3 27,-0.3 -0.810 21.6 142.4-140.0 91.0 -30.6 8.0 4.5 46 67 A L - 0 0 0 25,-2.2 2,-0.2 -2,-0.3 24,-0.1 -0.795 54.3 -88.9-126.6 169.0 -31.6 7.0 8.0 47 68 A E - 0 0 28 -2,-0.2 24,-1.1 24,-0.1 2,-0.3 -0.554 45.8-127.1 -74.0 140.2 -34.2 8.0 10.7 48 69 A S + 0 0 53 22,-0.2 2,-0.3 -2,-0.2 8,-0.1 -0.757 38.4 156.9 -94.7 141.4 -33.0 10.8 13.0 49 70 A S > - 0 0 10 -2,-0.3 3,-2.6 6,-0.1 2,-0.1 -0.984 49.6 -73.0-159.2 157.2 -33.0 10.4 16.8 50 71 A Y G > S- 0 0 168 1,-0.3 3,-1.4 -2,-0.3 4,-0.1 -0.313 120.4 -10.7 -54.3 119.6 -31.5 11.7 20.1 51 72 A L G 3 S- 0 0 122 1,-0.3 -1,-0.3 2,-0.1 18,-0.0 0.701 119.7 -77.8 56.3 24.0 -27.9 10.2 20.3 52 73 A a G < S+ 0 0 3 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.907 85.4 155.2 51.4 48.8 -29.0 8.0 17.3 53 74 A E < + 0 0 91 -3,-1.4 3,-0.1 3,-0.0 -2,-0.1 0.779 63.7 39.0 -74.6 -30.2 -30.9 5.8 19.7 54 75 A Y S S+ 0 0 109 1,-0.3 2,-0.4 -4,-0.1 -6,-0.1 0.924 126.7 7.9 -84.6 -85.6 -33.5 4.4 17.2 55 76 A D S S+ 0 0 0 -8,-0.2 -1,-0.3 44,-0.1 2,-0.3 -0.814 83.1 154.1-100.4 138.7 -31.9 3.7 13.8 56 77 A Y E -C 98 0A 45 42,-2.0 42,-2.6 -2,-0.4 2,-0.5 -0.997 46.4-136.8-160.1 162.6 -28.0 4.0 13.5 57 78 A V E -CD 97 69A 0 12,-2.2 12,-2.7 -2,-0.3 2,-0.5 -0.988 31.9-163.9-122.0 108.8 -24.7 3.2 11.9 58 79 A K E -CD 96 68A 67 38,-2.9 38,-2.3 -2,-0.5 2,-0.5 -0.893 5.5-166.6-102.4 124.0 -22.1 2.6 14.7 59 80 A V E +CD 95 67A 0 8,-3.4 8,-2.3 -2,-0.5 7,-1.7 -0.957 27.1 143.3-112.1 120.0 -18.4 2.6 13.9 60 81 A E E -CD 94 65A 44 34,-2.8 34,-3.5 -2,-0.5 5,-0.2 -0.934 40.1-131.8-149.0 171.3 -16.1 1.3 16.6 61 82 A T - 0 0 8 3,-3.3 32,-0.1 -2,-0.3 5,-0.0 -0.359 54.8 -79.4-108.1-167.7 -12.9 -0.7 17.6 62 83 A E S S+ 0 0 132 1,-0.2 3,-0.1 -2,-0.2 31,-0.0 0.586 128.7 10.7 -72.2 -12.9 -12.6 -3.4 20.3 63 84 A D S S+ 0 0 134 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.251 122.2 61.3-148.2 7.4 -12.5 -0.8 23.1 64 85 A Q - 0 0 100 0, 0.0 -3,-3.3 0, 0.0 2,-0.6 -0.967 64.3-138.0-149.8 129.5 -13.4 2.5 21.5 65 86 A V E -D 60 0A 75 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.777 20.3-177.1 -87.1 117.0 -16.5 4.0 19.8 66 87 A L E - 0 0 45 -7,-1.7 2,-0.3 -2,-0.6 -6,-0.2 0.901 59.9 -17.8 -80.9 -46.2 -15.2 6.0 16.8 67 88 A A E -D 59 0A 22 -8,-2.3 -8,-3.4 19,-0.1 2,-0.4 -0.985 45.1-152.8-161.6 155.6 -18.6 7.4 15.5 68 89 A T E -D 58 0A 54 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.994 22.7-168.9-134.7 124.2 -22.4 7.0 15.5 69 90 A F E +D 57 0A 26 -12,-2.7 -12,-2.2 -2,-0.4 2,-0.3 -0.905 17.6 142.2-121.4 148.7 -24.5 8.2 12.5 70 91 A a + 0 0 0 9,-1.0 9,-0.3 -2,-0.3 -22,-0.2 -0.926 33.9 61.4-163.8 173.8 -28.2 8.7 11.8 71 92 A G S S- 0 0 1 -24,-1.1 -25,-2.2 -2,-0.3 2,-0.4 -0.216 81.8 -63.3 90.2 178.5 -30.5 11.1 9.9 72 93 A R B -H 45 0B 81 -27,-0.3 -27,-0.2 1,-0.1 8,-0.2 -0.900 28.3-137.1-109.9 133.9 -30.7 12.0 6.1 73 94 A E S S+ 0 0 75 -29,-2.1 -28,-0.1 -2,-0.4 -1,-0.1 0.752 102.5 65.0 -56.1 -27.7 -27.9 13.7 4.2 74 95 A T S S+ 0 0 117 -30,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.989 94.6 60.6 -57.9 -67.3 -30.6 16.0 2.5 75 96 A T S S- 0 0 58 1,-0.1 2,-0.2 -3,-0.1 3,-0.1 -0.382 84.5-144.9 -64.5 134.3 -31.6 17.8 5.8 76 97 A D S S+ 0 0 131 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.619 73.6 57.3-105.1 168.0 -28.7 19.6 7.4 77 98 A T S S+ 0 0 146 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.900 91.7 135.8 73.2 49.4 -27.6 20.3 11.0 78 99 A E S S- 0 0 61 -3,-0.1 -1,-0.2 2,-0.1 -7,-0.1 -0.705 73.8-114.0-124.5 174.0 -27.7 16.5 11.2 79 100 A Q + 0 0 69 -9,-0.3 -9,-1.0 -2,-0.2 -8,-0.1 -0.039 69.8 130.3 -99.7 25.3 -25.7 13.5 12.6 80 101 A T - 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