==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-DEC-99 1DQ5 . COMPND 2 MOLECULE: MANGANESE;MANGANESE CONCANAVALIN A (PH 5.0); . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,Y.DEWALLEF,F.POORTMANS,L.WYNS,R.LORIS . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 68.4 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 . 103 43.5 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 0.8 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 . 29 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.6 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 . 1 2 1 1 3 2 1 2 1 0 0 0 0 1 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 0 148 0, 0.0 218,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.7 29.6 -23.4 47.4 2 2 A D - 0 0 54 218,-0.1 2,-0.5 1,-0.1 213,-0.0 -0.074 360.0-133.7 -59.7 154.2 26.4 -25.3 48.0 3 3 A T - 0 0 33 2,-0.0 213,-0.7 26,-0.0 2,-0.4 -0.921 31.0-173.8-100.4 117.8 23.0 -24.2 46.7 4 4 A I E +A 215 0A 4 -2,-0.5 26,-2.6 211,-0.2 2,-0.4 -0.974 23.6 174.3-129.0 136.2 20.4 -24.5 49.5 5 5 A V E +AB 214 29A 4 209,-1.4 209,-2.4 -2,-0.4 2,-0.3 -0.991 28.7 169.1-123.7 118.2 16.6 -24.0 49.6 6 6 A A E -AB 213 28A 2 22,-2.1 22,-2.5 -2,-0.4 2,-0.5 -0.972 39.4-143.7-139.9 157.5 15.3 -25.1 53.0 7 7 A V E -AB 212 27A 2 205,-2.5 205,-2.3 -2,-0.3 2,-0.3 -0.998 35.3-156.8-111.6 114.5 12.2 -24.9 55.2 8 8 A E E -AB 211 26A 0 18,-2.2 18,-1.3 -2,-0.5 2,-0.7 -0.733 24.7-160.0-102.7 146.4 13.5 -24.4 58.7 9 9 A L E -AB 210 25A 0 201,-2.6 201,-1.7 -2,-0.3 2,-0.7 -0.908 27.3-168.0-118.2 90.4 11.8 -25.1 62.0 10 10 A D E +AB 209 24A 2 14,-2.3 14,-2.1 -2,-0.7 199,-0.3 -0.828 16.5 178.5 -95.9 110.6 13.9 -22.7 64.1 11 11 A T + 0 0 5 197,-2.1 198,-0.2 -2,-0.7 -1,-0.1 0.606 64.5 61.1 -86.4 -19.2 13.5 -23.3 67.8 12 12 A Y S S- 0 0 52 196,-1.0 2,-0.9 10,-0.1 -1,-0.1 -0.987 77.6-134.8-121.0 120.9 16.0 -20.7 69.1 13 13 A P + 0 0 40 0, 0.0 2,-1.4 0, 0.0 3,-0.1 -0.625 22.5 177.7 -70.8 95.2 15.6 -16.9 68.3 14 14 A N > > + 0 0 8 -2,-0.9 5,-2.2 1,-0.2 3,-1.7 -0.802 5.8 176.8 -94.6 82.0 19.0 -15.5 67.2 15 15 A T G > 5S+ 0 0 83 -2,-1.4 3,-0.6 1,-0.3 -1,-0.2 0.664 70.7 71.1 -66.5 -9.4 17.5 -12.1 66.6 16 16 A D G 3 5S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.655 103.9 38.4 -73.0 -23.8 21.1 -10.9 65.8 17 17 A I G < 5S- 0 0 14 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 -0.019 136.7 -81.8-119.4 21.7 21.1 -12.9 62.5 18 18 A G T < 5S+ 0 0 50 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.424 78.3 144.5 95.6 -2.4 17.5 -12.0 61.8 19 19 A D < - 0 0 11 -5,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.443 51.3-117.4 -65.7 145.0 15.3 -14.5 63.8 20 20 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.001 42.6 -89.5 -63.4-179.4 12.0 -13.1 65.2 21 21 A S S S+ 0 0 101 -6,-0.1 -2,-0.1 -7,-0.1 -6,-0.0 0.202 104.9 42.7 -80.7 15.8 11.8 -13.1 69.0 22 22 A Y S S- 0 0 85 -10,-0.1 -10,-0.1 -12,-0.0 -8,-0.1 -0.959 102.2 -67.0-153.4 169.4 10.3 -16.5 69.0 23 23 A P + 0 0 38 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.361 65.6 170.4 -57.3 136.1 10.4 -20.1 67.6 24 24 A H E -BC 10 39A 0 -14,-2.1 -14,-2.3 15,-0.3 2,-0.4 -0.969 38.9-123.6-148.4 166.7 9.3 -19.7 63.9 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.3 -2,-0.3 2,-0.3 -0.890 38.9 175.9-108.6 144.6 9.1 -21.5 60.6 26 26 A G E -BC 8 37A 0 -18,-1.3 -18,-2.2 -2,-0.4 2,-0.5 -0.966 31.4-128.5-144.4 162.0 10.9 -19.8 57.7 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.4 -2,-0.3 9,-0.8 -0.966 26.1-161.4-110.9 120.4 11.8 -20.3 54.1 28 28 A D E -B 6 0A 0 -22,-2.5 -22,-2.1 -2,-0.5 2,-0.7 -0.909 10.3-172.6-107.0 119.6 15.5 -19.9 53.3 29 29 A I E S-B 5 0A 13 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.907 78.1 -38.7-110.8 110.2 16.7 -19.3 49.8 30 30 A K S S+ 0 0 125 -26,-2.6 2,-0.3 -2,-0.7 -25,-0.1 0.505 127.5 67.2 52.3 11.1 20.5 -19.5 49.7 31 31 A S S S- 0 0 16 -27,-0.1 -2,-0.2 2,-0.1 4,-0.1 -0.981 78.9-126.6-153.7 151.0 20.9 -17.7 53.1 32 32 A V S S+ 0 0 3 205,-0.5 2,-1.4 203,-0.4 204,-0.1 0.619 92.4 89.3 -70.7 -17.1 20.1 -18.4 56.8 33 33 A R S S- 0 0 103 204,-0.3 -4,-0.3 -4,-0.1 -15,-0.1 -0.674 89.1-128.0 -86.2 96.2 18.2 -15.1 57.0 34 34 A S - 0 0 29 -2,-1.4 -6,-0.3 1,-0.1 3,-0.1 -0.072 8.6-142.6 -46.1 142.2 14.8 -16.4 55.9 35 35 A K S S+ 0 0 91 -8,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.721 91.6 7.8 -76.2 -25.0 12.9 -14.6 53.1 36 36 A K E -C 27 0A 95 -9,-0.8 -9,-2.3 41,-0.1 2,-0.3 -0.968 69.7-176.2-157.9 145.1 9.8 -15.3 55.1 37 37 A T E -C 26 0A 56 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.3 -0.942 8.3-159.1-141.4 160.6 8.9 -16.5 58.6 38 38 A A E -C 25 0A 21 -13,-2.3 -13,-2.4 -2,-0.3 2,-0.2 -0.978 35.2 -99.5-137.3 147.4 5.8 -17.4 60.7 39 39 A K E -C 24 0A 104 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.519 37.9-158.3 -69.7 134.8 5.5 -17.6 64.4 40 40 A W - 0 0 7 -17,-2.6 2,-2.1 -2,-0.2 -1,-0.1 -0.938 14.9-147.2-121.9 118.4 5.6 -21.2 65.5 41 41 A N - 0 0 115 -2,-0.5 -17,-0.1 30,-0.1 -2,-0.0 -0.542 30.5-157.9 -83.4 82.4 4.1 -22.3 68.8 42 42 A M - 0 0 34 -2,-2.1 2,-0.6 -31,-0.1 25,-0.0 -0.317 4.9-149.0 -58.3 135.9 6.6 -25.0 69.4 43 43 A Q > - 0 0 74 3,-0.1 3,-1.4 -2,-0.0 156,-0.3 -0.938 12.7-132.5-116.4 115.5 5.7 -27.9 71.8 44 44 A N T 3 S+ 0 0 69 -2,-0.6 156,-0.2 1,-0.2 3,-0.1 -0.342 88.0 1.7 -62.5 130.3 8.4 -29.6 73.8 45 45 A G T 3 S+ 0 0 32 154,-3.6 2,-0.3 1,-0.2 -1,-0.2 0.515 100.8 118.1 73.8 3.8 8.2 -33.3 73.7 46 46 A K < - 0 0 107 -3,-1.4 153,-0.7 153,-0.4 2,-0.6 -0.719 69.2-113.2 -99.8 152.0 5.1 -33.5 71.3 47 47 A V E -H 198 0B 57 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.798 39.1-168.8 -85.2 118.3 5.3 -35.2 67.9 48 48 A G E -H 197 0B 0 149,-2.8 149,-2.0 -2,-0.6 2,-0.4 -0.640 13.1-141.3-104.1 173.4 4.8 -32.6 65.1 49 49 A T E -HI 196 66B 35 17,-2.2 17,-2.3 147,-0.2 2,-0.4 -0.996 8.3-164.2-135.9 125.6 4.2 -32.8 61.4 50 50 A A E -HI 195 65B 1 145,-2.5 145,-1.6 -2,-0.4 2,-0.4 -0.896 4.5-170.6-106.8 131.2 5.6 -30.6 58.7 51 51 A H E -HI 194 64B 84 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.990 4.4-174.5-121.6 130.9 4.1 -30.6 55.1 52 52 A I E +HI 193 63B 1 141,-2.4 141,-2.2 -2,-0.4 2,-0.3 -0.991 5.9 178.2-129.8 128.0 5.9 -28.8 52.3 53 53 A I E +HI 192 62B 85 9,-2.4 9,-2.1 -2,-0.4 2,-0.3 -0.952 7.1 164.1-132.5 154.0 4.5 -28.3 48.8 54 54 A Y E -H 191 0B 18 137,-1.9 137,-2.0 -2,-0.3 2,-0.3 -0.968 9.6-173.1-161.8 150.4 5.5 -26.6 45.5 55 55 A N E >> -H 190 0B 42 5,-0.4 4,-2.3 -2,-0.3 5,-0.7 -0.987 29.5-130.7-151.4 144.0 4.6 -26.6 41.9 56 56 A S T 45S+ 0 0 18 133,-2.5 134,-0.1 -2,-0.3 26,-0.0 0.451 104.1 60.6 -71.0 -6.4 6.2 -24.9 38.9 57 57 A V T 45S+ 0 0 94 132,-0.3 -1,-0.2 3,-0.1 133,-0.0 0.906 117.9 27.9 -83.1 -53.1 2.9 -23.5 37.6 58 58 A D T 45S- 0 0 104 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.819 90.7-149.2 -75.7 -28.0 2.2 -21.4 40.8 59 59 A K T <5 + 0 0 71 -4,-2.3 20,-2.5 1,-0.2 2,-0.4 0.879 50.2 133.4 54.4 44.9 5.9 -21.0 41.7 60 60 A R E < - J 0 78B 95 -5,-0.7 2,-0.6 18,-0.3 -5,-0.4 -0.976 46.6-155.4-127.7 118.7 5.1 -20.8 45.4 61 61 A L E + J 0 77B 4 16,-2.5 16,-1.6 -2,-0.4 2,-0.3 -0.905 25.9 177.5 -90.2 118.5 6.9 -22.8 48.1 62 62 A S E -IJ 53 76B 20 -9,-2.1 -9,-2.4 -2,-0.6 2,-0.3 -0.889 11.3-170.1-125.1 153.6 4.4 -23.3 51.1 63 63 A A E -IJ 52 75B 1 12,-2.2 12,-2.2 -2,-0.3 2,-0.4 -0.990 4.9-165.1-144.5 139.8 4.9 -25.2 54.4 64 64 A V E -IJ 51 74B 47 -13,-2.4 -13,-2.4 -2,-0.3 2,-0.4 -0.998 4.8-168.7-126.8 132.1 2.4 -26.1 57.1 65 65 A V E +IJ 50 73B 2 8,-2.5 8,-2.4 -2,-0.4 2,-0.3 -0.970 15.5 165.3-125.3 133.0 3.4 -27.2 60.6 66 66 A S E -I 49 0B 33 -17,-2.3 -17,-2.2 -2,-0.4 6,-0.1 -0.916 26.4-153.9-142.9 168.2 1.0 -28.7 63.2 67 67 A Y > - 0 0 11 -2,-0.3 3,-1.9 3,-0.2 -19,-0.1 -0.942 48.2 -85.4-136.2 148.2 0.6 -30.7 66.4 68 68 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.264 114.3 10.2 -55.3 144.4 -2.4 -32.8 67.2 69 69 A N T 3 S+ 0 0 182 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.659 111.4 108.3 58.5 17.3 -5.2 -30.8 68.8 70 70 A A S < S- 0 0 38 -3,-1.9 -3,-0.2 0, 0.0 -1,-0.2 -0.878 77.1-106.6-123.7 158.2 -3.4 -27.6 68.0 71 71 A D - 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