==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 23-AUG-96 1JBC . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR S.PARKIN,B.RUPP,H.HOPE . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.8 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 . 100 42.2 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 . 26 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.2 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 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 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 0 132 0, 0.0 232,-0.1 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 157.7 32.7 63.5 40.6 2 2 A D - 0 0 44 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.250 360.0-116.6 -56.6 166.5 35.8 61.2 41.0 3 3 A T - 0 0 42 2,-0.0 213,-1.0 -2,-0.0 2,-0.4 -0.976 37.4-168.7-113.6 122.7 39.1 62.5 42.2 4 4 A I E +A 215 0A 4 -2,-0.5 26,-2.8 211,-0.2 2,-0.4 -0.957 23.9 176.1-122.8 131.2 41.8 62.1 39.5 5 5 A V E +AB 214 29A 2 209,-2.3 209,-2.6 -2,-0.4 2,-0.3 -0.995 28.9 165.4-118.0 131.2 45.6 62.5 39.5 6 6 A A E -AB 213 28A 2 22,-2.7 22,-3.1 -2,-0.4 2,-0.5 -0.993 41.7-141.2-148.7 154.3 47.1 61.5 36.1 7 7 A V E -AB 212 27A 2 205,-2.6 205,-2.1 -2,-0.3 2,-0.4 -0.988 35.4-156.6-108.6 116.6 50.1 61.6 33.9 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.2 -2,-0.5 2,-0.7 -0.829 24.3-161.4-101.3 141.1 48.9 62.1 30.3 9 9 A L E -AB 210 25A 0 201,-3.2 201,-1.8 -2,-0.4 2,-0.7 -0.935 29.3-166.4-109.1 92.2 50.6 61.2 27.0 10 10 A D E -AB 209 24A 3 14,-2.6 14,-2.2 -2,-0.7 199,-0.3 -0.807 17.7-179.3 -97.8 111.2 48.4 63.5 25.0 11 11 A T + 0 0 6 197,-1.3 198,-0.2 -2,-0.7 -1,-0.1 0.600 64.5 57.1 -87.4 -12.2 48.6 62.9 21.3 12 12 A Y S S- 0 0 51 196,-0.8 2,-0.7 10,-0.1 -1,-0.1 -0.973 78.1-130.2-128.8 125.9 46.3 65.7 20.0 13 13 A P - 0 0 41 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.590 20.8-177.1 -82.4 110.4 46.6 69.4 20.8 14 14 A N > > - 0 0 13 -2,-0.7 3,-1.7 1,-0.2 5,-1.7 -0.858 4.7-173.8-101.9 92.2 43.4 70.9 22.0 15 15 A T G > 5S+ 0 0 103 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.806 74.3 63.4 -70.4 -26.6 44.4 74.5 22.3 16 16 A D G 3 5S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.537 104.1 48.5 -76.2 -3.1 41.1 75.8 23.9 17 17 A I G < 5S- 0 0 5 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.051 129.0 -93.8-119.6 25.7 41.7 73.7 27.0 18 18 A G T < 5S+ 0 0 57 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.460 73.4 147.7 87.9 -0.6 45.3 74.8 27.4 19 19 A D < - 0 0 10 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.435 50.6-116.1 -59.6 142.8 47.1 72.0 25.5 20 20 A P - 0 0 23 0, 0.0 2,-1.2 0, 0.0 -6,-0.1 -0.295 37.2 -93.0 -67.7 169.3 50.3 73.3 23.8 21 21 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.145 103.0 45.1 -84.3 43.5 50.4 73.1 20.0 22 22 A Y S S- 0 0 75 -2,-1.2 -10,-0.1 -10,-0.1 -12,-0.1 -0.963 102.4 -68.2-166.6 163.8 52.1 69.7 19.9 23 23 A P + 0 0 38 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.292 65.5 174.3 -58.2 149.3 51.9 66.3 21.4 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.6 15,-0.3 2,-0.4 -0.976 37.4-121.7-157.2 157.9 52.9 66.5 25.0 25 25 A I E +BC 9 38A 0 13,-2.2 13,-2.3 -2,-0.3 2,-0.3 -0.888 41.0 179.4-102.6 142.7 53.3 64.8 28.4 26 26 A G E -BC 8 37A 0 -18,-2.2 -18,-2.4 -2,-0.4 2,-0.5 -0.971 32.9-130.2-146.6 154.9 51.4 66.4 31.2 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.4 -2,-0.3 9,-0.9 -0.952 26.4-164.1-107.1 120.6 50.6 66.2 34.9 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.7 -2,-0.5 2,-0.6 -0.935 9.5-177.1-112.9 116.2 46.9 66.5 35.6 29 29 A I E S-B 5 0A 14 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.912 78.3 -36.8-115.1 96.9 45.7 67.3 39.2 30 30 A K S S+ 0 0 125 -26,-2.8 2,-0.3 -2,-0.6 -25,-0.1 0.595 128.4 68.4 65.3 15.7 41.9 67.2 39.3 31 31 A S S S- 0 0 8 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.961 76.9-131.4-159.3 146.7 41.6 68.7 35.8 32 32 A V S S+ 0 0 1 205,-0.4 2,-1.2 203,-0.4 204,-0.1 0.689 92.3 90.7 -64.6 -21.2 42.3 67.9 32.2 33 33 A R S S- 0 0 102 204,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.731 89.4-129.2 -80.2 91.7 44.1 71.3 32.0 34 34 A S - 0 0 28 -2,-1.2 -6,-0.2 1,-0.1 3,-0.1 -0.114 10.2-144.1 -51.8 143.6 47.5 70.1 32.9 35 35 A K S S+ 0 0 99 -8,-2.4 2,-0.3 1,-0.3 -7,-0.1 0.736 89.1 9.4 -74.7 -25.2 49.4 71.8 35.7 36 36 A K E S-C 27 0A 97 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.976 71.1-177.7-155.9 139.4 52.7 71.2 33.8 37 37 A T E -C 26 0A 49 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.941 8.0-164.4-133.6 165.5 53.5 70.0 30.3 38 38 A A E -C 25 0A 25 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.1 -0.986 37.0 -93.4-144.8 147.6 56.5 69.2 28.2 39 39 A K E -C 24 0A 103 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.440 38.0-162.1 -59.3 138.4 56.9 68.6 24.5 40 40 A W - 0 0 6 -17,-2.5 2,-2.2 -30,-0.1 26,-0.1 -0.977 14.3-149.2-128.7 116.5 56.7 65.0 23.5 41 41 A N - 0 0 115 -2,-0.5 2,-0.1 30,-0.1 -17,-0.1 -0.524 28.7-162.4 -85.9 74.8 58.0 63.8 20.1 42 42 A M - 0 0 36 -2,-2.2 2,-0.6 1,-0.1 -2,-0.0 -0.351 7.2-148.3 -61.3 141.2 55.5 61.1 19.7 43 43 A Q > - 0 0 69 3,-0.1 3,-1.9 -2,-0.1 156,-0.3 -0.909 13.4-132.8-117.7 109.1 56.3 58.4 17.1 44 44 A N T 3 S+ 0 0 75 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.374 89.0 7.8 -63.8 122.4 53.4 56.7 15.4 45 45 A G T 3 S+ 0 0 43 154,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.412 100.7 112.4 89.4 4.4 53.7 53.0 15.4 46 46 A K S < S- 0 0 66 -3,-1.9 153,-0.6 153,-0.4 2,-0.5 -0.811 70.5-112.5-109.3 147.5 56.8 52.6 17.7 47 47 A V E -G 198 0B 56 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.653 39.9-175.1 -78.1 124.4 56.7 51.1 21.2 48 48 A G E -G 197 0B 0 149,-2.5 149,-2.1 -2,-0.5 2,-0.4 -0.692 15.0-141.3-114.7 167.9 57.4 53.6 23.9 49 49 A T E -GH 196 66B 36 17,-2.3 17,-2.1 147,-0.2 2,-0.4 -0.999 9.1-164.0-135.0 133.0 57.9 53.5 27.7 50 50 A A E -GH 195 65B 0 145,-2.7 145,-2.3 -2,-0.4 2,-0.4 -0.944 2.1-164.0-115.9 142.8 56.7 55.8 30.4 51 51 A H E -GH 194 64B 80 13,-2.7 13,-2.1 -2,-0.4 2,-0.4 -0.959 3.4-170.5-126.4 135.6 57.9 56.0 34.0 52 52 A I E +GH 193 63B 1 141,-2.7 141,-2.4 -2,-0.4 2,-0.3 -0.995 9.1 178.2-129.0 131.7 56.1 57.7 36.8 53 53 A I E +GH 192 62B 91 9,-2.7 9,-2.5 -2,-0.4 2,-0.3 -0.986 7.1 159.0-140.4 149.7 57.6 58.3 40.3 54 54 A Y E -G 191 0B 13 137,-1.9 137,-2.4 -2,-0.3 2,-0.3 -0.963 11.0-173.8-159.8 149.0 56.5 60.0 43.5 55 55 A N E >> -G 190 0B 43 5,-0.4 4,-2.2 -2,-0.3 5,-0.6 -0.994 30.2-128.0-147.9 154.6 57.3 60.0 47.2 56 56 A S T 45S+ 0 0 17 133,-2.9 134,-0.1 -2,-0.3 26,-0.1 0.571 103.6 60.1 -77.9 -9.4 55.8 61.7 50.2 57 57 A V T 45S+ 0 0 86 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.926 118.1 27.5 -78.5 -50.6 59.0 63.3 51.5 58 58 A D T 45S- 0 0 109 2,-0.1 -2,-0.2 20,-0.0 -1,-0.1 0.744 89.4-150.3 -83.6 -25.0 59.7 65.3 48.4 59 59 A K T <5 + 0 0 74 -4,-2.2 20,-1.8 1,-0.2 2,-0.4 0.926 48.6 133.1 57.6 50.2 56.0 65.7 47.2 60 60 A R E < - I 0 78B 106 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.964 46.6-152.4-136.3 116.3 57.0 65.9 43.5 61 61 A L E + I 0 77B 4 16,-2.5 16,-2.1 -2,-0.4 2,-0.3 -0.810 26.2 178.0 -88.8 121.1 55.2 63.9 40.8 62 62 A S E -HI 53 76B 20 -9,-2.5 -9,-2.7 -2,-0.6 2,-0.3 -0.930 12.3-174.3-130.4 149.2 57.6 63.2 38.0 63 63 A A E -HI 52 75B 1 12,-2.6 12,-2.2 -2,-0.3 2,-0.3 -0.990 5.9-168.0-141.6 151.1 57.3 61.3 34.7 64 64 A V E -HI 51 74B 52 -13,-2.1 -13,-2.7 -2,-0.3 2,-0.4 -0.992 6.2-172.3-135.4 138.6 59.7 60.4 31.8 65 65 A V E +HI 50 73B 2 8,-2.5 8,-2.4 -2,-0.3 2,-0.3 -0.995 13.8 158.9-132.5 140.8 58.8 59.0 28.4 66 66 A S E -H 49 0B 34 -17,-2.1 -17,-2.3 -2,-0.4 6,-0.1 -0.960 27.6-144.7-149.8 168.6 61.1 57.6 25.7 67 67 A Y > - 0 0 9 4,-0.4 3,-1.8 -2,-0.3 -19,-0.1 -0.948 45.4 -86.5-125.3 156.7 61.5 55.5 22.6 68 68 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.322 116.2 15.5 -55.7 144.3 64.5 53.4 21.6 69 69 A N T 3 S+ 0 0 167 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.473 114.3 96.5 66.6 10.4 67.1 55.4 19.7 70 70 A A S < S- 0 0 38 -3,-1.8 -3,-0.2 1,-0.1 -1,-0.2 -0.905 77.2-107.1-127.7 156.1 65.4 58.7 20.8 71 71 A D - 0 0 157 -2,-0.3 -4,-0.4 1,-0.1 2,-0.2 -0.209 41.9-113.3 -68.4 160.3 65.8 61.3 23.5 72 72 A S - 0 0 79 -6,-0.1 2,-0.3 -32,-0.0 -6,-0.2 -0.551 13.7-141.8 -90.7 165.9 63.4 61.4 26.4 73 73 A A E -I 65 0B 15 -8,-2.4 -8,-2.5 -2,-0.2 2,-0.3 -0.948 22.7-173.9-125.2 145.2 60.8 63.9 27.5 74 74 A T E -I 64 0B 80 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.986 11.5-176.0-140.8 150.3 60.1 64.6 31.2 75 75 A V E -I 63 0B 7 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.3 -0.990 3.8-174.8-143.2 147.1 57.7 66.6 33.3 76 76 A S E -I 62 0B 20 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.980 3.2-174.3-141.8 149.1 57.5 67.3 37.1 77 77 A Y E -I 61 0B 77 -16,-2.1 -16,-2.5 -2,-0.3 2,-0.6 -0.980 26.6-125.8-146.3 131.2 55.0 69.1 39.4 78 78 A D E +I 60 0B 100 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.698 49.9 145.2 -79.2 115.5 55.2 69.8 43.1 79 79 A V - 0 0 18 -20,-1.8 2,-1.0 -2,-0.6 3,-0.1 -0.961 49.2-135.6-156.3 130.2 52.1 68.4 44.7 80 80 A D > - 0 0 41 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.820 19.8-165.5 -86.6 100.5 51.4 66.8 48.0 81 81 A L G >> S+ 0 0 1 -2,-1.0 4,-3.2 1,-0.3 3,-1.5 0.749 82.3 69.8 -63.4 -19.3 49.2 64.0 46.9 82 82 A D G 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.667 100.0 49.7 -70.1 -16.3 48.0 63.4 50.5 83 83 A N G <4 S+ 0 0 135 -3,-2.2 -1,-0.3 3,-0.0 -2,-0.2 0.306 119.6 36.4 -93.3 -5.8 46.1 66.6 50.1 84 84 A V T <4 S+ 0 0 26 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.718 113.6 47.0-111.8 -49.8 44.6 65.6 46.7 85 85 A L S < S- 0 0 10 -4,-3.2 -1,-0.2 1,-0.1 4,-0.1 -0.667 81.5-108.2-102.3 156.0 43.8 61.9 46.9 86 86 A P - 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