==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 29-APR-11 3RRD . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA VIRGATA; . AUTHOR P.DELATORRE,R.B.NOBREGA,C.A.A.GADELHA,T.SANTI-GADELHA,D.L.FA . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 66.4 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 . 97 41.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 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-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 . 24 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 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 . 3 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 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 . 1 3 0 1 2 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 136 0, 0.0 214,-0.1 0, 0.0 228,-0.0 0.000 360.0 360.0 360.0 166.3 28.7 2.8 23.9 2 2 A D - 0 0 43 214,-0.2 2,-0.5 226,-0.1 209,-0.0 -0.119 360.0-128.1 -51.9 154.5 25.5 3.0 26.0 3 3 A T - 0 0 39 2,-0.0 209,-0.9 226,-0.0 2,-0.5 -0.978 32.5-164.1-105.7 122.5 22.2 1.7 24.6 4 4 A I E +A 211 0A 2 -2,-0.5 26,-2.7 207,-0.2 2,-0.4 -0.919 26.0 174.7-116.9 130.5 19.6 4.4 25.1 5 5 A V E +AB 210 29A 3 205,-2.4 205,-3.3 -2,-0.5 2,-0.3 -0.996 30.7 163.9-120.9 126.1 15.8 4.4 24.9 6 6 A A E -AB 209 28A 1 22,-2.4 22,-3.1 -2,-0.4 2,-0.5 -0.971 40.8-140.2-144.6 154.3 14.5 7.8 25.8 7 7 A V E -AB 208 27A 3 201,-3.3 201,-1.7 -2,-0.3 2,-0.3 -0.973 32.7-155.0-118.1 115.9 11.5 10.1 25.8 8 8 A E E -AB 207 26A 0 18,-2.4 18,-2.2 -2,-0.5 2,-0.7 -0.730 25.1-166.8-103.2 141.4 12.6 13.7 25.0 9 9 A L E -AB 206 25A 0 197,-3.1 197,-2.2 -2,-0.3 2,-0.9 -0.954 26.6-168.7-117.3 92.2 10.9 17.0 25.8 10 10 A D E -AB 205 24A 1 14,-2.7 14,-1.8 -2,-0.7 195,-0.2 -0.840 17.1-179.0 -96.4 106.7 13.1 18.9 23.5 11 11 A S + 0 0 3 -2,-0.9 194,-0.2 193,-0.8 -1,-0.2 0.701 68.2 61.4 -77.8 -19.1 12.6 22.6 24.1 12 12 A Y S S- 0 0 67 192,-1.2 2,-0.7 12,-0.1 -1,-0.2 -0.903 76.3-138.6-116.5 113.0 15.1 23.6 21.3 13 13 A P - 0 0 28 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.486 17.0-173.3 -67.9 111.2 14.7 22.8 17.7 14 14 A N > > + 0 0 7 -2,-0.7 3,-2.0 1,-0.2 5,-1.5 -0.725 7.2 175.9 -99.9 80.8 18.1 21.8 16.4 15 15 A T G > 5S+ 0 0 85 -2,-1.0 3,-1.2 1,-0.3 -1,-0.2 0.696 70.9 70.6 -65.3 -17.8 17.2 21.6 12.8 16 16 A D G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.735 104.2 42.5 -68.5 -22.2 20.8 20.8 11.8 17 17 A I G < 5S- 0 0 16 -3,-2.0 -1,-0.3 15,-0.0 -2,-0.2 -0.186 130.6 -89.6-116.5 37.6 20.4 17.4 13.5 18 18 A G T < 5S+ 0 0 50 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.541 73.8 148.7 76.6 11.8 16.9 16.6 12.1 19 19 A D < - 0 0 10 -5,-1.5 -1,-0.2 1,-0.1 14,-0.1 -0.487 56.5-104.5 -67.8 142.9 14.7 18.1 14.8 20 20 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.275 42.8 -97.7 -58.2 164.9 11.4 19.4 13.5 21 21 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 0.026 99.8 48.5 -80.8 31.8 11.4 23.2 13.3 22 22 A Y S S- 0 0 65 -2,-0.4 -8,-0.1 -10,-0.1 2,-0.1 -0.971 103.5 -65.5-154.0 167.8 9.6 23.7 16.7 23 23 A P + 0 0 35 0, 0.0 17,-3.3 0, 0.0 2,-0.3 -0.390 67.0 176.2 -59.0 128.0 9.7 22.5 20.3 24 24 A H E -BC 10 39A 0 -14,-1.8 -14,-2.7 15,-0.3 2,-0.3 -0.935 36.1-136.9-135.7 155.9 8.8 18.9 20.2 25 25 A I E +BC 9 38A 0 13,-2.1 13,-2.1 -2,-0.3 2,-0.3 -0.805 38.2 174.7-100.8 155.2 8.4 15.7 22.3 26 26 A G E -BC 8 37A 0 -18,-2.2 -18,-2.4 -2,-0.3 2,-0.6 -0.996 35.4-120.4-160.0 158.7 9.9 12.6 20.8 27 27 A I E -BC 7 36A 0 9,-2.6 8,-2.4 -2,-0.3 9,-0.9 -0.948 28.8-159.6-111.1 120.6 10.8 9.0 21.2 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.4 -2,-0.6 2,-0.5 -0.889 10.7-176.1-107.8 123.9 14.5 8.2 20.8 29 29 A I E S-B 5 0A 13 -2,-0.5 -24,-0.2 4,-0.2 4,-0.1 -0.860 77.0 -38.9-121.2 93.3 15.6 4.7 20.0 30 30 A K S S+ 0 0 117 -26,-2.7 2,-0.3 -2,-0.5 -25,-0.1 0.574 129.5 65.2 62.5 14.3 19.4 4.4 20.1 31 31 A S S S- 0 0 6 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.982 79.4-129.0-156.6 154.4 19.7 7.8 18.4 32 32 A V S S+ 0 0 1 201,-0.7 2,-1.6 199,-0.3 200,-0.1 0.685 91.5 92.3 -76.5 -18.5 18.9 11.5 19.3 33 33 A R S S- 0 0 106 200,-0.5 -4,-0.2 -4,-0.1 -1,-0.1 -0.601 91.7-124.1 -78.3 87.9 17.1 11.6 15.9 34 34 A S - 0 0 22 -2,-1.6 -6,-0.2 1,-0.1 3,-0.1 0.069 6.2-140.4 -40.2 131.7 13.6 10.7 17.3 35 35 A K S S+ 0 0 93 -8,-2.4 2,-0.3 1,-0.2 -7,-0.1 0.921 92.1 1.2 -58.3 -42.6 12.0 7.7 15.7 36 36 A S E S-C 27 0A 29 -9,-0.9 -9,-2.6 41,-0.0 2,-0.3 -0.983 74.2-174.1-143.1 157.2 8.8 9.7 16.0 37 37 A T E -C 26 0A 54 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.905 9.6-158.5-138.1 163.0 7.9 13.3 17.3 38 38 A A E -C 25 0A 25 -13,-2.1 -13,-2.1 -2,-0.3 2,-0.1 -0.983 35.1 -97.1-139.1 156.0 5.0 15.6 17.9 39 39 A R E -C 24 0A 158 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.430 36.7-152.2 -64.9 137.3 4.8 19.3 18.2 40 40 A W - 0 0 5 -17,-3.3 2,-1.5 -30,-0.1 32,-0.1 -0.967 11.6-148.3-123.5 119.3 4.9 20.6 21.8 41 41 A N - 0 0 100 -2,-0.5 2,-0.3 30,-0.1 -17,-0.1 -0.715 29.3-154.3 -78.3 87.1 3.3 23.9 22.9 42 42 A M - 0 0 37 -2,-1.5 2,-0.6 -31,-0.1 -2,-0.0 -0.512 15.6-164.7 -68.2 126.0 5.8 24.7 25.6 43 43 A Q > - 0 0 47 -2,-0.3 3,-2.4 3,-0.1 152,-0.2 -0.642 16.3-156.4-109.8 79.9 4.6 26.9 28.4 44 44 A T T 3 S+ 0 0 63 -2,-0.6 152,-0.2 1,-0.3 3,-0.1 -0.148 78.1 29.0 -55.8 138.6 7.9 28.0 30.0 45 45 A G T 3 S+ 0 0 40 150,-4.1 2,-0.3 1,-0.3 -1,-0.3 0.140 100.3 105.0 93.3 -20.8 7.4 28.9 33.6 46 46 A K S < S- 0 0 99 -3,-2.4 149,-0.6 149,-0.3 2,-0.4 -0.732 79.2-108.7 -96.8 142.6 4.5 26.6 34.1 47 47 A V E -H 194 0B 70 -2,-0.3 21,-0.5 147,-0.1 2,-0.3 -0.531 41.4-163.4 -65.9 118.8 4.6 23.2 35.9 48 48 A G E -HI 193 67B 0 145,-2.8 145,-2.5 -2,-0.4 2,-0.4 -0.803 11.5-147.1-107.7 147.5 4.3 20.4 33.4 49 49 A T E -HI 192 66B 38 17,-3.1 17,-2.6 -2,-0.3 2,-0.4 -0.938 11.8-168.9-108.9 135.4 3.4 16.8 33.8 50 50 A A E -HI 191 65B 2 141,-2.5 141,-2.0 -2,-0.4 2,-0.4 -0.992 0.6-169.4-117.5 132.8 4.9 14.0 31.6 51 51 A H E -HI 190 64B 80 13,-3.1 13,-2.3 -2,-0.4 2,-0.4 -0.985 2.4-174.1-118.4 136.5 3.7 10.4 31.5 52 52 A I E +HI 189 63B 3 137,-3.0 137,-2.5 -2,-0.4 2,-0.3 -0.964 9.3 172.5-125.2 141.9 5.5 7.5 29.7 53 53 A S E +HI 188 62B 40 9,-2.1 9,-2.2 -2,-0.4 2,-0.3 -0.995 6.8 165.3-151.3 154.2 4.1 3.9 29.4 54 54 A Y E -H 187 0B 16 133,-1.8 133,-2.3 -2,-0.3 2,-0.3 -0.932 10.1-174.2-165.3 135.9 4.9 0.6 27.6 55 55 A N E >> -H 186 0B 60 5,-0.4 4,-2.5 -2,-0.3 5,-0.6 -0.973 30.2-127.5-133.7 157.8 4.0 -3.1 27.7 56 56 A S T 45S+ 0 0 17 129,-2.6 130,-0.1 -2,-0.3 26,-0.1 0.406 104.2 55.4 -86.2 -0.5 5.6 -5.9 25.7 57 57 A V T 45S+ 0 0 103 128,-0.3 -1,-0.2 3,-0.1 129,-0.1 0.861 117.3 34.0 -89.4 -55.6 2.4 -7.3 24.2 58 58 A A T 45S- 0 0 64 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.905 89.4-162.6 -60.1 -44.0 1.2 -4.0 22.7 59 59 A K T <5 + 0 0 90 -4,-2.5 20,-1.9 1,-0.2 2,-0.5 0.904 43.7 129.5 59.2 40.9 4.9 -3.1 22.0 60 60 A R E < - J 0 78B 134 -5,-0.6 2,-0.5 18,-0.3 -5,-0.4 -0.989 47.6-154.2-128.6 113.4 3.9 0.5 21.6 61 61 A L E + J 0 77B 2 16,-2.7 16,-2.1 -2,-0.5 2,-0.3 -0.794 24.4 177.2 -87.7 128.2 5.9 3.1 23.6 62 62 A S E -IJ 53 76B 35 -9,-2.2 -9,-2.1 -2,-0.5 2,-0.3 -0.973 15.6-171.8-141.5 149.0 3.9 6.2 24.2 63 63 A A E -IJ 52 75B 5 12,-3.2 12,-2.3 -2,-0.3 2,-0.3 -0.959 3.9-166.4-138.4 156.6 4.2 9.5 26.1 64 64 A V E -IJ 51 74B 43 -13,-2.3 -13,-3.1 -2,-0.3 2,-0.4 -0.992 2.5-169.5-145.4 137.1 2.0 12.5 27.0 65 65 A V E +IJ 50 73B 2 8,-2.2 8,-2.3 -2,-0.3 2,-0.3 -0.999 18.2 154.2-129.3 132.2 2.9 16.0 28.3 66 66 A S E -I 49 0B 36 -17,-2.6 -17,-3.1 -2,-0.4 2,-0.3 -0.946 25.1-154.2-148.6 166.6 0.5 18.6 29.6 67 67 A Y E > -I 48 0B 16 -2,-0.3 3,-2.2 4,-0.2 -19,-0.1 -0.941 50.2 -71.5-134.4 159.8 0.1 21.6 31.9 68 68 A T T 3 S+ 0 0 126 -21,-0.5 3,-0.1 -2,-0.3 -21,-0.0 -0.292 120.0 4.7 -52.8 124.9 -3.0 22.9 33.7 69 69 A G T 3 S+ 0 0 91 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.584 109.6 112.4 72.3 10.4 -5.4 24.4 31.2 70 70 A S S < S- 0 0 33 -3,-2.2 -1,-0.3 -27,-0.0 -3,-0.1 -0.837 71.2-114.1-106.2 154.0 -3.3 23.4 28.3 71 71 A S - 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