==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 10-OCT-11 3U4X . COMPND 2 MOLECULE: CAMPTOSEMA PEDICELLATUM LECTIN (CPL); . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPTOSEMA PEDICELLATUM; . AUTHOR B.A.M.ROCHA,C.S.TEIXEIRA,T.R.MOURA,H.C.SILVA,F.N.PEREIRA-JUN . 236 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 41.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 28 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 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 PARALLEL BRIDGES PER LADDER . 0 4 0 1 3 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 1 A A 0 0 137 0, 0.0 231,-0.1 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0 163.4 -28.6 -30.9 20.5 2 2 A D - 0 0 45 217,-0.1 2,-0.5 229,-0.1 212,-0.0 -0.169 360.0-121.9 -67.5 163.2 -25.4 -30.9 18.3 3 3 A T - 0 0 42 2,-0.0 212,-0.7 26,-0.0 2,-0.4 -0.977 37.9-169.4-109.7 121.5 -22.0 -32.3 19.4 4 4 A I E +A 214 0A 2 -2,-0.5 26,-2.9 210,-0.2 2,-0.4 -0.957 25.4 174.5-124.9 126.9 -19.5 -29.5 19.1 5 5 A V E +AB 213 29A 3 208,-2.2 208,-3.0 -2,-0.4 2,-0.3 -0.993 30.8 164.4-121.3 127.6 -15.7 -29.4 19.4 6 6 A A E -AB 212 28A 1 22,-2.6 22,-3.0 -2,-0.4 2,-0.5 -0.985 42.2-142.7-146.9 151.8 -14.5 -25.9 18.6 7 7 A V E -AB 211 27A 2 204,-3.1 204,-2.4 -2,-0.3 2,-0.3 -0.989 31.4-159.0-112.6 120.1 -11.6 -23.5 18.7 8 8 A E E -AB 210 26A 0 18,-1.5 18,-2.3 -2,-0.5 2,-0.7 -0.790 19.8-158.4-102.5 139.3 -13.0 -20.0 19.4 9 9 A L E -AB 209 25A 0 200,-3.8 200,-1.8 -2,-0.3 2,-0.7 -0.973 29.9-160.5-108.8 103.1 -11.2 -16.7 18.7 10 10 A D E +AB 208 24A 1 14,-3.3 14,-2.2 -2,-0.7 198,-0.3 -0.816 21.5 179.0-107.3 112.8 -13.2 -14.8 21.2 11 11 A T + 0 0 2 196,-1.8 12,-0.2 -2,-0.7 197,-0.2 0.605 65.3 50.2 -90.2 -10.7 -13.2 -11.0 20.7 12 12 A Y S S- 0 0 69 195,-0.8 2,-0.6 10,-0.1 -1,-0.1 -0.983 79.5-125.8-138.7 117.3 -15.5 -9.9 23.5 13 13 A P - 0 0 40 0, 0.0 2,-0.8 0, 0.0 10,-0.1 -0.541 20.6-174.1 -75.6 114.7 -15.3 -10.8 27.2 14 14 A N > > - 0 0 16 -2,-0.6 5,-1.8 1,-0.1 3,-1.6 -0.803 5.0-179.9 -97.5 87.8 -18.5 -12.3 28.5 15 15 A T G > 5S+ 0 0 89 -2,-0.8 3,-0.9 1,-0.3 -1,-0.1 0.715 72.6 65.1 -66.6 -18.3 -17.6 -12.6 32.2 16 16 A D G 3 5S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.669 106.3 41.3 -80.4 -12.5 -21.0 -14.1 33.2 17 17 A I G < 5S- 0 0 3 -3,-1.6 -1,-0.2 15,-0.1 -2,-0.2 -0.080 130.1 -82.8-121.7 31.2 -20.5 -17.2 31.2 18 18 A G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.297 75.7 145.6 93.9 -8.1 -16.9 -17.9 32.0 19 19 A D < - 0 0 9 -5,-1.8 -1,-0.3 1,-0.1 4,-0.1 -0.371 51.7-118.1 -58.4 137.8 -14.9 -15.7 29.6 20 20 A P - 0 0 25 0, 0.0 2,-1.4 0, 0.0 -6,-0.1 -0.282 39.9 -91.7 -63.9 165.1 -11.6 -14.4 31.2 21 21 A N S S+ 0 0 133 -8,-0.1 2,-0.3 -6,-0.1 -2,-0.0 -0.099 104.6 48.1 -76.9 43.8 -11.4 -10.5 31.4 22 22 A Y S S- 0 0 74 -2,-1.4 -10,-0.1 -10,-0.1 2,-0.1 -0.960 100.4 -74.5-165.7 160.6 -9.7 -10.1 28.0 23 23 A Q + 0 0 39 -2,-0.3 17,-2.6 -12,-0.2 2,-0.3 -0.392 64.5 173.1 -57.0 144.3 -10.0 -11.3 24.3 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-3.3 15,-0.3 2,-0.4 -0.992 40.2-120.6-160.5 153.0 -8.9 -14.8 24.1 25 25 A I E -BC 9 38A 0 13,-2.2 13,-2.0 -2,-0.3 2,-0.3 -0.841 43.1-174.8 -95.8 144.8 -8.4 -18.0 22.1 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-1.5 -2,-0.4 2,-0.5 -0.938 30.9-131.4-143.1 158.2 -10.2 -21.0 23.6 27 27 A I E -BC 7 36A 0 9,-2.4 8,-2.8 -2,-0.3 9,-0.9 -0.978 26.7-163.2-111.1 122.9 -10.9 -24.7 23.4 28 28 A N E -B 6 0A 0 -22,-3.0 -22,-2.6 -2,-0.5 2,-0.5 -0.949 10.8-178.6-111.8 121.0 -14.6 -25.6 23.5 29 29 A I E S-B 5 0A 11 -2,-0.5 -24,-0.2 2,-0.2 4,-0.1 -0.931 78.2 -39.1-120.1 97.7 -15.7 -29.2 24.3 30 30 A K S S+ 0 0 134 -26,-2.9 2,-0.3 -2,-0.5 -25,-0.1 0.572 129.1 71.1 65.5 10.5 -19.5 -29.5 24.2 31 31 A S S S- 0 0 8 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.994 76.0-135.2-156.1 147.6 -19.7 -26.1 25.9 32 32 A I S S+ 0 0 0 204,-0.6 2,-1.6 202,-0.3 203,-0.1 0.644 90.5 90.8 -72.1 -16.7 -19.2 -22.4 25.3 33 33 A R S S- 0 0 102 203,-0.5 -4,-0.2 -4,-0.1 -1,-0.1 -0.679 89.9-128.9 -84.9 91.3 -17.4 -22.3 28.7 34 34 A S - 0 0 27 -2,-1.6 -6,-0.2 1,-0.1 3,-0.1 0.059 9.0-144.2 -41.0 140.6 -13.9 -23.0 27.3 35 35 A K S S+ 0 0 98 -8,-2.8 2,-0.3 1,-0.3 -7,-0.1 0.766 88.2 7.7 -77.8 -25.3 -11.9 -25.8 28.9 36 36 A A E S-C 27 0A 24 -9,-0.9 -9,-2.4 41,-0.1 2,-0.3 -0.978 70.2-177.5-151.7 146.7 -8.7 -23.8 28.3 37 37 A T E -C 26 0A 49 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.968 10.3-158.8-139.0 160.1 -8.0 -20.2 27.2 38 38 A T E -C 25 0A 48 -13,-2.0 -13,-2.2 -2,-0.3 37,-0.1 -0.999 35.5-100.5-135.7 136.9 -5.1 -17.9 26.5 39 39 A R E +C 24 0A 137 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.3 -0.314 45.4 178.9 -44.2 129.5 -4.9 -14.2 26.3 40 40 A W - 0 0 9 -17,-2.6 2,-0.8 -30,-0.1 -17,-0.2 -0.997 21.2-141.9-141.2 140.9 -5.0 -12.9 22.7 41 41 A N - 0 0 87 -2,-0.3 -30,-0.1 -19,-0.1 -17,-0.0 -0.877 14.9-139.9-111.9 106.1 -5.0 -9.3 21.4 42 42 A V - 0 0 23 -2,-0.8 2,-0.7 -31,-0.1 -19,-0.1 -0.303 9.3-148.2 -49.6 134.1 -7.1 -8.6 18.4 43 43 A Q > - 0 0 77 3,-0.2 3,-2.4 155,-0.1 155,-0.2 -0.926 27.3-122.2-111.7 102.2 -5.3 -6.2 16.0 44 44 A D T 3 S- 0 0 92 -2,-0.7 155,-0.2 1,-0.3 3,-0.1 -0.110 86.8 -2.2 -50.8 126.1 -8.2 -4.2 14.5 45 45 A G T 3 S+ 0 0 21 153,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.485 100.2 122.1 72.8 -0.0 -8.2 -4.6 10.8 46 46 A K < - 0 0 120 -3,-2.4 152,-0.7 152,-0.3 2,-0.6 -0.661 68.6-105.9 -89.4 157.3 -5.2 -6.8 10.3 47 47 A V E -H 197 0B 57 -2,-0.2 2,-0.2 150,-0.2 150,-0.2 -0.686 40.3-167.1 -78.8 118.4 -5.1 -10.3 8.7 48 48 A G E -H 196 0B 0 148,-3.2 148,-2.4 -2,-0.6 2,-0.4 -0.657 9.2-149.6-102.0 161.4 -4.7 -13.0 11.3 49 49 A T E -HI 195 66B 36 17,-2.2 17,-2.3 146,-0.3 2,-0.4 -1.000 8.4-163.9-133.5 129.8 -3.9 -16.7 10.8 50 50 A A E -HI 194 65B 2 144,-3.3 144,-2.0 -2,-0.4 2,-0.4 -0.955 0.6-165.4-116.9 138.3 -5.1 -19.6 13.1 51 51 A H E -HI 193 64B 80 13,-2.8 13,-2.4 -2,-0.4 2,-0.4 -0.977 6.6-178.3-123.8 136.9 -3.7 -23.1 13.2 52 52 A I E +HI 192 63B 5 140,-2.4 140,-2.3 -2,-0.4 2,-0.3 -0.995 7.3 168.1-135.3 132.5 -5.4 -26.1 14.9 53 53 A S E +HI 191 62B 40 9,-2.0 9,-2.4 -2,-0.4 2,-0.3 -0.980 4.9 165.9-147.6 160.9 -4.1 -29.6 15.2 54 54 A Y E -H 190 0B 9 136,-1.7 136,-1.9 -2,-0.3 2,-0.3 -0.959 10.7-168.4-164.3 139.5 -4.9 -32.8 17.0 55 55 A N E >> -H 189 0B 55 -2,-0.3 4,-2.7 5,-0.2 5,-0.7 -0.996 26.8-129.6-142.6 161.8 -4.0 -36.4 16.9 56 56 A S T 45S+ 0 0 5 132,-2.3 133,-0.1 -2,-0.3 26,-0.1 0.539 103.9 51.2 -86.4 -10.3 -5.6 -39.3 18.6 57 57 A V T 45S+ 0 0 95 131,-0.2 -1,-0.2 3,-0.1 132,-0.0 0.897 118.6 37.0 -85.5 -50.9 -2.4 -40.9 20.1 58 58 A A T 45S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.852 92.7-157.7 -68.2 -37.7 -1.1 -37.6 21.6 59 59 A K T <5 + 0 0 81 -4,-2.7 20,-1.3 1,-0.2 2,-0.4 0.944 45.0 127.3 62.3 49.1 -4.7 -36.7 22.5 60 60 A R E < - J 0 78B 125 -5,-0.7 2,-0.5 18,-0.3 18,-0.2 -0.840 47.4-155.2-143.1 103.7 -4.0 -33.0 22.7 61 61 A L E - J 0 77B 2 16,-1.9 16,-1.6 -2,-0.4 2,-0.3 -0.697 23.8-178.1 -75.9 122.5 -6.0 -30.4 20.8 62 62 A S E -IJ 53 76B 37 -9,-2.4 -9,-2.0 -2,-0.5 2,-0.3 -0.897 10.0-174.6-122.8 152.3 -3.8 -27.3 20.3 63 63 A A E -IJ 52 75B 3 12,-2.7 12,-2.4 -2,-0.3 2,-0.4 -1.000 3.1-174.5-141.3 144.4 -4.5 -23.9 18.6 64 64 A I E -IJ 51 74B 46 -13,-2.4 -13,-2.8 -2,-0.3 2,-0.4 -0.988 4.3-166.7-143.0 136.4 -2.4 -20.9 17.8 65 65 A V E +IJ 50 73B 0 8,-2.3 8,-2.5 -2,-0.4 2,-0.3 -0.960 16.0 172.2-122.6 134.9 -3.3 -17.5 16.4 66 66 A S E -I 49 0B 33 -17,-2.3 -17,-2.2 -2,-0.4 6,-0.1 -0.930 22.2-152.4-138.5 159.4 -0.8 -15.0 15.1 67 67 A Y > - 0 0 11 -2,-0.3 3,-1.4 4,-0.2 -19,-0.1 -0.910 46.8 -80.3-123.9 158.8 -0.6 -11.7 13.2 68 68 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.090 112.9 4.1 -54.9 148.6 2.4 -10.6 11.0 69 69 A G T 3 S+ 0 0 104 1,-0.1 2,-0.2 -3,-0.0 -3,-0.0 0.572 116.2 105.4 54.0 6.5 5.5 -9.2 12.9 70 70 A G S < S- 0 0 35 -3,-1.4 2,-0.2 1,-0.0 -1,-0.1 -0.694 76.5-104.3-121.4 163.2 3.7 -10.1 16.1 71 71 A S - 0 0 121 -2,-0.2 -4,-0.2 -3,-0.1 2,-0.1 -0.569 40.8-125.2 -90.2 158.5 3.9 -12.7 18.8 72 72 A S - 0 0 59 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.402 3.7-133.0 -99.1 171.7 1.3 -15.4 18.8 73 73 A A E -J 65 0B 9 -8,-2.5 -8,-2.3 -2,-0.1 2,-0.3 -0.999 27.2-175.8-120.3 126.4 -1.2 -16.8 21.3 74 74 A T E -J 64 0B 75 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.891 7.1-175.4-119.9 155.7 -1.4 -20.5 21.8 75 75 A V E -J 63 0B 6 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.3 -0.987 2.1-171.4-142.3 152.6 -3.7 -22.8 23.8 76 76 A S E -J 62 0B 44 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.961 5.3-174.8-141.3 158.7 -3.8 -26.6 24.4 77 77 A Y E -J 61 0B 81 -16,-1.6 -16,-1.9 -2,-0.3 2,-0.5 -0.904 26.6-127.5-158.7 126.3 -6.1 -29.0 26.1 78 78 A D E +J 60 0B 96 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.651 49.6 146.9 -76.1 118.2 -5.7 -32.8 26.7 79 79 A V - 0 0 16 -20,-1.3 2,-0.9 -2,-0.5 3,-0.1 -0.987 49.7-136.1-156.2 141.1 -8.8 -34.5 25.3 80 80 A D > - 0 0 49 -2,-0.3 3,-0.7 1,-0.2 -24,-0.1 -0.914 24.3-176.6-100.1 100.5 -9.7 -37.8 23.6 81 81 A L G >> S+ 0 0 2 -2,-0.9 4,-3.4 1,-0.2 3,-2.0 0.760 74.2 69.1 -69.3 -27.7 -11.9 -36.5 20.8 82 82 A N G 34 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.2 98,-0.0 0.766 98.0 51.8 -69.7 -19.4 -12.8 -40.0 19.6 83 83 A N G <4 S+ 0 0 134 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.293 119.6 37.3 -88.3 5.0 -14.8 -40.6 22.8 84 84 A I T <4 S+ 0 0 38 -3,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.666 106.9 59.6-122.9 -48.8 -16.7 -37.4 22.1 85 85 A L S < S- 0 0 15 -4,-3.4 -1,-0.1 1,-0.1 2,-0.1 -0.497 83.0-111.0 -86.5 157.5 -17.3 -37.0 18.4 86 86 A P - 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