==== 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 15-FEB-01 1I3H . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR D.A.R.SANDERS,D.N.MOOTHOO,J.RAFTERY,A.J.HOWARD,J.R.HELLIWELL . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.1 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 . 96 40.5 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 . 22 9.3 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 3 0 1 3 2 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 . 1 0 0 0 0 1 1 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 0 130 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 166.7 25.6 39.7 29.5 2 2 A D - 0 0 42 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.210 360.0-123.2 -61.0 165.2 27.7 39.9 26.4 3 3 A T - 0 0 47 2,-0.0 213,-0.9 26,-0.0 2,-0.4 -0.985 35.7-172.0-113.4 122.2 26.3 41.2 23.2 4 4 A I E +A 215 0A 3 -2,-0.5 26,-2.7 211,-0.2 2,-0.4 -0.963 24.6 178.9-126.4 133.1 26.6 38.6 20.4 5 5 A V E +AB 214 29A 3 209,-2.3 209,-2.5 -2,-0.4 2,-0.3 -0.997 30.1 164.9-117.7 135.2 26.1 38.6 16.6 6 6 A A E -AB 213 28A 1 22,-2.5 22,-3.1 -2,-0.4 2,-0.5 -0.989 42.6-138.9-150.6 155.6 27.0 35.2 15.1 7 7 A V E -AB 212 27A 2 205,-2.5 205,-2.1 -2,-0.3 2,-0.4 -0.987 34.7-155.1-109.8 117.2 26.7 32.9 12.1 8 8 A E E -AB 211 26A 0 18,-2.3 18,-2.1 -2,-0.5 2,-0.7 -0.803 20.9-161.4 -98.2 138.2 26.1 29.4 13.4 9 9 A L E -AB 210 25A 0 201,-3.2 201,-1.7 -2,-0.4 2,-0.7 -0.920 28.6-168.1-108.2 90.2 27.0 26.2 11.6 10 10 A D E +AB 209 24A 1 14,-2.5 14,-2.5 -2,-0.7 199,-0.2 -0.794 19.3 177.8 -99.2 106.2 24.7 24.1 13.8 11 11 A T + 0 0 7 197,-1.0 198,-0.2 -2,-0.7 -1,-0.2 0.692 63.0 61.8 -80.7 -18.3 25.2 20.4 13.4 12 12 A Y S S- 0 0 63 196,-0.9 2,-1.0 10,-0.1 -1,-0.1 -0.932 75.9-133.4-123.3 123.6 22.6 19.2 15.9 13 13 A P - 0 0 41 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.593 20.0-177.4 -78.3 103.6 18.9 19.8 15.8 14 14 A N > > + 0 0 21 -2,-1.0 5,-1.9 1,-0.2 3,-1.7 -0.762 6.3 175.4 -95.2 82.8 17.7 20.9 19.2 15 15 A T G > 5S+ 0 0 92 -2,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.795 70.4 69.6 -68.7 -20.9 14.1 21.1 18.4 16 16 A D G 3 5S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.537 105.3 41.7 -73.1 -9.0 13.1 22.0 22.0 17 17 A I G < 5S- 0 0 6 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.001 130.1 -88.2-123.2 29.0 14.8 25.3 21.5 18 18 A G T < 5S+ 0 0 56 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.524 75.6 144.5 90.0 1.6 13.5 26.1 18.0 19 19 A D < - 0 0 14 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.478 54.7-110.2 -66.5 150.0 16.1 24.5 15.8 20 20 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.295 37.1 -98.4 -68.1 168.9 14.8 23.0 12.6 21 21 A S S S+ 0 0 95 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.036 100.9 52.6 -82.8 29.5 14.9 19.2 12.4 22 22 A Y S S- 0 0 75 -2,-0.5 -10,-0.1 -10,-0.1 19,-0.1 -0.982 101.0 -76.6-152.9 158.5 18.1 19.1 10.4 23 23 A P + 0 0 46 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.342 64.6 170.9 -55.0 145.5 21.6 20.5 10.5 24 24 A H E -BC 10 39A 0 -14,-2.5 -14,-2.5 15,-0.3 2,-0.3 -0.972 37.6-122.4-157.3 157.7 21.5 24.1 9.5 25 25 A I E -BC 9 38A 0 13,-2.6 13,-2.1 -2,-0.3 2,-0.3 -0.854 38.0-179.0-104.1 153.0 23.2 27.4 9.2 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.3 -2,-0.3 2,-0.6 -0.993 33.2-127.5-153.1 155.2 21.8 30.4 11.0 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.7 -2,-0.3 9,-0.9 -0.946 29.3-163.8-103.2 120.5 22.1 34.1 11.7 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.5 -2,-0.6 2,-0.6 -0.920 9.9-177.1-112.4 116.5 22.0 34.8 15.5 29 29 A I E S-B 5 0A 14 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.908 77.9 -36.7-116.6 97.5 21.3 38.3 16.7 30 30 A K S S+ 0 0 128 -26,-2.7 2,-0.3 -2,-0.6 -25,-0.1 0.622 129.5 66.6 64.4 18.0 21.5 38.4 20.5 31 31 A S S S- 0 0 10 -27,-0.2 -2,-0.2 206,-0.1 4,-0.2 -0.956 76.4-132.4-161.0 146.3 19.9 35.0 20.8 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.3 -2,-0.3 204,-0.1 0.658 91.4 91.0 -69.7 -20.9 20.7 31.4 19.9 33 33 A R S S- 0 0 106 -4,-0.1 -4,-0.3 203,-0.1 -15,-0.1 -0.689 90.5-127.7 -78.8 96.6 17.2 31.1 18.4 34 34 A S - 0 0 28 -2,-1.3 -6,-0.2 1,-0.1 3,-0.1 -0.093 10.7-143.5 -55.2 142.4 18.3 32.2 14.9 35 35 A K S S+ 0 0 100 -8,-2.7 2,-0.3 1,-0.3 -1,-0.1 0.790 90.3 9.3 -71.7 -27.3 16.6 35.0 13.1 36 36 A K E S-C 27 0A 104 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.978 71.8-175.7-150.2 143.7 17.0 33.1 9.8 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.906 8.2-163.3-134.1 164.9 18.2 29.6 9.0 38 38 A A E -C 25 0A 24 -13,-2.1 -13,-2.6 -2,-0.3 37,-0.1 -0.991 35.8 -97.1-144.6 145.0 18.9 27.4 6.0 39 39 A K E -C 24 0A 123 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.358 38.9-162.2 -58.9 137.4 19.3 23.7 5.6 40 40 A W - 0 0 6 -17,-2.4 2,-1.5 -30,-0.1 32,-0.1 -0.982 17.0-152.8-132.3 117.6 22.9 22.5 5.7 41 41 A N - 0 0 115 -2,-0.4 2,-0.1 30,-0.2 -17,-0.1 -0.642 24.1-162.6 -87.3 77.3 24.1 19.2 4.5 42 42 A M - 0 0 34 -2,-1.5 2,-0.7 1,-0.1 -2,-0.0 -0.440 9.5-141.5 -61.0 136.8 27.2 18.9 6.8 43 43 A Q > - 0 0 65 -2,-0.1 3,-2.0 3,-0.1 156,-0.3 -0.883 14.8-130.3-110.3 106.7 29.6 16.3 5.4 44 44 A N T 3 S+ 0 0 65 -2,-0.7 156,-0.3 1,-0.3 3,-0.1 -0.321 89.4 7.4 -59.5 121.7 31.2 14.3 8.2 45 45 A G T 3 S+ 0 0 25 154,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.375 103.3 111.1 89.0 -0.1 35.0 14.1 7.8 46 46 A K S < S- 0 0 113 -3,-2.0 153,-0.7 153,-0.4 2,-0.6 -0.681 71.9-108.7-104.1 156.5 35.2 16.6 4.8 47 47 A V E -G 198 0B 58 -2,-0.2 2,-0.2 151,-0.2 151,-0.2 -0.755 39.2-169.1 -87.9 120.6 36.8 20.1 4.8 48 48 A G E -G 197 0B 0 149,-2.5 149,-2.2 -2,-0.6 2,-0.4 -0.668 12.6-141.6-104.8 164.0 34.2 22.8 4.5 49 49 A T E -GH 196 66B 36 17,-2.5 17,-2.7 -2,-0.2 2,-0.4 -0.995 9.7-165.2-127.6 133.1 34.4 26.5 3.8 50 50 A A E -GH 195 65B 1 145,-2.8 145,-2.1 -2,-0.4 2,-0.4 -0.945 3.4-170.8-116.2 134.8 32.4 29.3 5.4 51 51 A H E -GH 194 64B 72 13,-2.6 13,-2.4 -2,-0.4 2,-0.4 -0.989 2.6-172.8-123.6 135.0 32.2 32.9 4.0 52 52 A I E +GH 193 63B 0 141,-2.7 141,-2.4 -2,-0.4 2,-0.3 -0.996 6.9 179.1-130.2 134.1 30.5 35.7 5.9 53 53 A I E +GH 192 62B 94 9,-2.6 9,-2.4 -2,-0.4 2,-0.3 -0.980 8.7 163.9-138.7 152.7 29.9 39.2 4.6 54 54 A Y E -G 191 0B 14 137,-2.0 137,-2.5 -2,-0.3 2,-0.3 -0.964 5.9-179.3-160.4 142.5 28.4 42.5 5.6 55 55 A N E >> -G 190 0B 46 5,-0.5 4,-2.1 -2,-0.3 5,-0.7 -0.992 31.9-128.8-143.4 157.1 28.4 46.1 4.5 56 56 A S T 45S+ 0 0 21 133,-2.9 134,-0.1 -2,-0.3 26,-0.0 0.556 102.7 63.5 -81.0 -8.2 26.7 49.2 5.9 57 57 A V T 45S+ 0 0 98 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.950 119.3 23.1 -76.1 -51.2 25.2 50.2 2.5 58 58 A D T 45S- 0 0 106 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.721 90.3-148.1 -88.3 -25.2 23.0 47.2 2.2 59 59 A K T <5 + 0 0 80 -4,-2.1 20,-1.5 1,-0.2 2,-0.4 0.936 49.9 135.2 53.5 54.4 22.8 46.3 5.9 60 60 A R E < - I 0 78B 136 -5,-0.7 2,-0.6 18,-0.3 -5,-0.5 -0.995 46.3-152.6-137.9 119.8 22.6 42.7 5.2 61 61 A L E + I 0 77B 4 16,-2.8 16,-2.3 -2,-0.4 2,-0.3 -0.881 27.2 175.9 -96.6 122.9 24.5 39.9 7.0 62 62 A S E -HI 53 76B 10 -9,-2.4 -9,-2.6 -2,-0.6 2,-0.3 -0.940 14.2-172.9-130.1 151.0 25.0 36.9 4.7 63 63 A A E -HI 52 75B 3 12,-2.6 12,-2.2 -2,-0.3 2,-0.4 -0.998 5.5-168.5-142.9 148.2 26.8 33.6 4.9 64 64 A V E -HI 51 74B 45 -13,-2.4 -13,-2.6 -2,-0.3 2,-0.4 -0.999 5.5-168.0-136.5 132.6 27.6 30.8 2.5 65 65 A V E +HI 50 73B 1 8,-2.6 8,-2.4 -2,-0.4 2,-0.3 -0.993 15.0 176.4-124.8 131.8 28.9 27.4 3.5 66 66 A S E -H 49 0B 37 -17,-2.7 -17,-2.5 -2,-0.4 6,-0.1 -0.927 24.9-163.4-137.0 155.9 30.3 24.9 1.0 67 67 A Y > - 0 0 10 -2,-0.3 3,-1.8 4,-0.2 -19,-0.1 -0.946 52.0 -81.5-127.9 150.3 31.9 21.6 0.5 68 68 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.269 110.4 3.2 -53.4 134.0 33.6 20.6 -2.9 69 69 A N T 3 S+ 0 0 187 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.444 110.3 98.9 71.4 3.4 31.2 19.4 -5.5 70 70 A A S < S- 0 0 47 -3,-1.8 -3,-0.2 1,-0.1 -1,-0.2 -0.795 82.1 -89.2-116.8 164.2 28.0 20.0 -3.5 71 71 A D - 0 0 158 -2,-0.3 -4,-0.2 1,-0.1 -30,-0.2 -0.346 46.7-123.4 -59.9 145.6 25.4 22.7 -3.4 72 72 A S - 0 0 66 -6,-0.1 2,-0.4 -32,-0.1 -6,-0.2 -0.423 11.6-128.5 -85.9 167.2 26.2 25.4 -0.9 73 73 A A E -I 65 0B 8 -8,-2.4 -8,-2.6 -2,-0.1 2,-0.4 -0.981 29.5-174.8-114.0 132.0 24.0 26.6 2.0 74 74 A T E +I 64 0B 75 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.984 9.7 176.7-131.6 140.3 23.3 30.3 2.1 75 75 A V E -I 63 0B 6 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.3 -0.998 3.3-177.8-142.4 146.1 21.5 32.4 4.7 76 76 A S E -I 62 0B 7 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.993 4.9-174.1-142.7 149.6 21.0 36.2 4.9 77 77 A Y E -I 61 0B 77 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.6 -0.981 26.4-126.2-148.0 132.4 19.3 38.6 7.3 78 78 A D E +I 60 0B 116 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.660 49.6 144.9 -79.9 118.5 18.7 42.3 7.1 79 79 A V - 0 0 17 -20,-1.5 2,-0.8 -2,-0.6 -2,-0.1 -0.968 46.5-137.3-154.5 137.2 20.2 43.9 10.2 80 80 A D > - 0 0 43 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.888 14.6-156.9 -96.0 109.3 21.9 47.2 10.9 81 81 A L G >> S+ 0 0 3 -2,-0.8 4,-2.5 1,-0.3 3,-1.4 0.730 88.1 71.7 -64.8 -19.8 24.8 46.3 13.1 82 82 A D G 34 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.776 98.6 51.4 -56.5 -31.0 24.9 49.9 14.4 83 83 A N G <4 S+ 0 0 134 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.443 121.0 30.2 -86.6 -1.7 21.6 49.0 16.2 84 84 A V T <4 S+ 0 0 25 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.741 109.9 49.5-124.6 -45.5 23.1 45.8 17.8 85 85 A L S < S- 0 0 8 -4,-2.5 -1,-0.2 1,-0.1 4,-0.1 -0.596 78.0-106.8-104.2 157.0 26.8 46.0 18.5 86 86 A P - 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