==== 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 02-SEP-01 1JW6 . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR Z.ZHANG,M.QIAN,Q.HUANG,Y.JIA,Y.TANG . 243 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 66.7 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 . 102 42.0 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 . 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 . 29 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 1 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 0 144 0, 0.0 2,-0.1 0, 0.0 218,-0.1 0.000 360.0 360.0 360.0-155.7 29.1 20.6 1.9 2 2 A D - 0 0 58 218,-0.1 2,-0.6 1,-0.1 213,-0.0 -0.383 360.0-135.6 -62.6 136.6 26.4 18.3 3.1 3 3 A T - 0 0 32 -2,-0.1 213,-0.5 2,-0.0 2,-0.4 -0.896 27.7-169.4 -96.8 121.2 22.9 19.5 2.0 4 4 A I E +A 215 0A 5 -2,-0.6 26,-2.9 211,-0.2 2,-0.4 -0.946 22.0 171.9-120.2 133.7 20.5 19.2 4.9 5 5 A V E +AB 214 29A 2 209,-1.7 209,-2.3 -2,-0.4 2,-0.3 -0.987 25.0 166.9-133.0 121.4 16.8 19.6 5.1 6 6 A A E -AB 213 28A 2 22,-2.6 22,-3.1 -2,-0.4 2,-0.6 -0.979 39.7-144.1-143.2 152.3 15.4 18.6 8.5 7 7 A V E -AB 212 27A 2 205,-2.4 205,-2.2 -2,-0.3 2,-0.4 -0.987 35.5-155.5-111.2 112.7 12.3 18.8 10.6 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.1 -2,-0.6 2,-0.8 -0.789 23.1-158.4 -99.0 140.8 13.5 19.2 14.2 9 9 A L E -AB 210 25A 0 201,-3.3 201,-1.7 -2,-0.4 2,-0.8 -0.895 28.1-166.8-110.4 86.0 11.8 18.3 17.4 10 10 A D E +AB 209 24A 1 14,-2.4 14,-2.8 -2,-0.8 199,-0.2 -0.767 19.5 176.1 -86.3 111.8 13.9 20.7 19.5 11 11 A T + 0 0 0 197,-1.0 198,-0.2 -2,-0.8 -1,-0.1 0.651 64.5 62.0 -87.8 -18.9 13.5 20.1 23.2 12 12 A Y S S- 0 0 45 196,-1.0 2,-0.8 12,-0.1 -1,-0.1 -0.948 76.5-135.5-119.4 123.5 16.0 22.7 24.4 13 13 A P + 0 0 7 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.628 20.3 179.3 -77.0 102.0 15.7 26.5 23.8 14 14 A N > > + 0 0 10 -2,-0.8 3,-2.1 1,-0.2 5,-1.6 -0.753 6.6 179.5-102.2 77.3 19.0 27.9 22.7 15 15 A T G > 5S+ 0 0 23 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.717 71.6 67.9 -53.4 -25.6 17.7 31.5 22.3 16 16 A D G 3 5S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.662 103.2 43.9 -72.2 -16.9 21.1 32.8 21.3 17 17 A I G < 5S- 0 0 7 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.074 132.9 -83.8-113.3 20.9 20.9 30.8 18.0 18 18 A G T < 5S+ 0 0 28 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.355 78.6 145.0 99.5 -8.1 17.3 31.7 17.2 19 19 A D < - 0 0 3 -5,-1.6 -1,-0.3 1,-0.1 -2,-0.1 -0.409 52.4-119.4 -64.9 135.8 15.4 29.1 19.2 20 20 A P - 0 0 2 0, 0.0 2,-2.0 0, 0.0 220,-0.1 -0.335 39.9 -94.4 -67.6 166.6 12.1 30.5 20.6 21 21 A S S S+ 0 0 0 -8,-0.1 220,-0.1 -6,-0.1 219,-0.1 -0.308 101.4 49.9 -83.8 58.8 12.0 30.2 24.4 22 22 A Y S S- 0 0 22 -2,-2.0 222,-0.2 -12,-0.1 -10,-0.1 -0.928 100.9 -72.0-179.2 156.3 10.3 26.9 24.6 23 23 A P + 0 0 9 0, 0.0 17,-2.2 0, 0.0 2,-0.3 -0.377 66.7 164.6 -56.5 145.7 10.5 23.3 23.2 24 24 A H E -BC 10 39A 0 -14,-2.8 -14,-2.4 15,-0.2 2,-0.4 -0.989 40.6-119.1-161.5 165.8 9.4 23.5 19.5 25 25 A I E +BC 9 38A 0 13,-1.9 13,-2.2 -2,-0.3 2,-0.3 -0.876 39.1 174.1-110.5 140.6 9.2 21.9 16.1 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.6 -0.964 33.6-122.4-146.4 165.1 10.9 23.6 13.2 27 27 A I E -BC 7 36A 0 9,-2.1 8,-2.6 -2,-0.3 9,-0.8 -0.961 27.8-164.9-112.3 117.3 11.9 23.3 9.6 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.6 -2,-0.6 2,-0.6 -0.926 9.3-172.8-105.5 126.7 15.6 23.7 8.9 29 29 A I E S-B 5 0A 11 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.926 78.9 -40.7-121.1 97.3 16.8 24.3 5.4 30 30 A K S S+ 0 0 119 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.474 127.6 76.0 63.4 6.5 20.6 24.1 5.5 31 31 A S S S- 0 0 13 -27,-0.2 -2,-0.2 206,-0.1 4,-0.1 -0.999 76.1-135.0-147.2 144.2 20.8 26.0 8.8 32 32 A V S S+ 0 0 0 203,-0.4 2,-1.3 -2,-0.3 204,-0.1 0.678 91.4 89.7 -69.9 -17.2 20.1 25.1 12.4 33 33 A R S S- 0 0 99 -4,-0.1 -4,-0.3 -14,-0.0 -15,-0.1 -0.723 89.1-130.0 -84.7 97.0 18.2 28.4 12.6 34 34 A S - 0 0 27 -2,-1.3 -6,-0.3 1,-0.1 3,-0.1 -0.155 7.0-143.9 -48.1 139.2 14.7 27.1 11.5 35 35 A K S S+ 0 0 98 -8,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.693 90.6 12.5 -77.8 -19.1 13.0 29.0 8.7 36 36 A K E S-C 27 0A 99 -9,-0.8 -9,-2.1 41,-0.1 2,-0.3 -0.963 71.2-173.5-159.1 137.7 9.8 28.4 10.6 37 37 A T E -C 26 0A 52 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.926 7.2-161.8-133.7 159.8 8.9 27.1 14.1 38 38 A A E -C 25 0A 18 -13,-2.2 -13,-1.9 -2,-0.3 2,-0.2 -0.982 35.4 -99.5-139.0 146.3 5.8 26.1 16.1 39 39 A K E -C 24 0A 116 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.483 37.4-158.7 -67.9 136.0 5.3 25.8 19.9 40 40 A W - 0 0 6 -17,-2.2 2,-1.8 -2,-0.2 32,-0.1 -0.970 15.2-150.9-123.4 119.2 5.6 22.2 21.0 41 41 A N - 0 0 113 -2,-0.5 -17,-0.1 30,-0.2 2,-0.1 -0.611 30.4-162.5 -86.8 74.8 4.1 21.1 24.3 42 42 A M - 0 0 31 -2,-1.8 2,-0.6 1,-0.1 25,-0.0 -0.343 8.0-146.6 -62.0 139.4 6.7 18.3 24.7 43 43 A Q > - 0 0 63 3,-0.1 3,-2.1 -2,-0.1 156,-0.3 -0.881 9.6-138.8-117.8 103.3 5.9 15.5 27.2 44 44 A N T 3 S+ 0 0 57 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.326 89.9 12.7 -57.9 124.7 8.8 14.0 29.1 45 45 A G T 3 S+ 0 0 36 154,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.331 101.1 112.8 90.3 -7.6 8.3 10.3 29.3 46 46 A K < - 0 0 102 -3,-2.1 153,-0.7 153,-0.3 2,-0.5 -0.731 68.2-119.1-101.7 149.5 5.4 10.0 26.8 47 47 A V E -G 198 0B 57 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.758 38.1-172.8 -85.8 123.0 5.6 8.3 23.3 48 48 A G E -G 197 0B 0 149,-2.4 149,-1.8 -2,-0.5 2,-0.4 -0.649 15.7-140.1-111.5 173.3 4.8 10.7 20.6 49 49 A T E -GH 196 66B 37 17,-2.4 17,-2.2 147,-0.2 2,-0.4 -0.997 10.2-164.9-137.7 130.2 4.3 10.5 16.8 50 50 A A E -GH 195 65B 1 145,-2.5 145,-1.7 -2,-0.4 2,-0.4 -0.926 1.2-165.0-117.2 137.5 5.5 12.8 14.1 51 51 A H E -GH 194 64B 70 13,-2.3 13,-2.3 -2,-0.4 2,-0.4 -0.994 4.4-168.7-120.8 127.3 4.2 12.9 10.5 52 52 A I E +GH 193 63B 1 141,-2.6 141,-2.7 -2,-0.4 2,-0.3 -0.979 12.2 176.4-118.8 131.3 6.2 14.7 7.8 53 53 A I E +GH 192 62B 75 9,-2.4 9,-2.7 -2,-0.4 2,-0.3 -0.977 10.0 155.4-138.2 151.4 4.7 15.4 4.4 54 54 A Y E -G 191 0B 17 137,-1.6 137,-1.9 -2,-0.3 2,-0.3 -0.962 12.1-171.1-167.1 150.0 5.5 17.1 1.1 55 55 A N E >> -G 190 0B 45 5,-0.3 4,-2.0 -2,-0.3 5,-0.6 -0.981 31.8-123.7-149.5 145.9 4.6 17.0 -2.6 56 56 A S T 45S+ 0 0 19 133,-3.0 134,-0.1 -2,-0.3 26,-0.0 0.501 105.8 60.3 -65.7 -11.2 6.1 18.8 -5.7 57 57 A V T 45S+ 0 0 90 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.923 116.9 25.8 -83.5 -52.2 2.7 20.3 -6.6 58 58 A D T 45S- 0 0 100 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.721 91.1-148.3 -82.9 -24.2 2.1 22.4 -3.5 59 59 A K T <5 + 0 0 67 -4,-2.0 20,-1.2 1,-0.2 2,-0.4 0.946 49.1 133.7 52.7 56.3 5.7 22.7 -2.6 60 60 A R E < - I 0 78B 114 -5,-0.6 2,-0.6 18,-0.3 -5,-0.3 -0.974 46.5-152.7-141.1 117.8 5.1 22.8 1.1 61 61 A L E + I 0 77B 4 16,-2.7 16,-1.8 -2,-0.4 2,-0.3 -0.841 26.7 178.5 -89.4 119.4 7.0 20.8 3.7 62 62 A S E -HI 53 76B 21 -9,-2.7 -9,-2.4 -2,-0.6 2,-0.3 -0.895 14.4-167.8-123.9 157.5 4.7 20.2 6.7 63 63 A A E -HI 52 75B 1 12,-1.9 12,-1.9 -2,-0.3 2,-0.4 -0.994 3.6-167.2-145.4 140.2 5.1 18.4 10.0 64 64 A V E -HI 51 74B 37 -13,-2.3 -13,-2.3 -2,-0.3 2,-0.4 -0.994 6.6-172.0-131.6 121.7 2.5 17.3 12.6 65 65 A V E +HI 50 73B 2 8,-2.7 8,-2.6 -2,-0.4 2,-0.3 -0.961 14.1 167.2-117.2 132.7 3.6 16.1 16.1 66 66 A S E -H 49 0B 35 -17,-2.2 -17,-2.4 -2,-0.4 6,-0.1 -0.950 25.8-153.0-144.5 161.0 1.2 14.7 18.6 67 67 A Y > - 0 0 12 -2,-0.3 3,-1.6 -19,-0.2 -19,-0.1 -0.927 47.4 -84.8-127.4 150.2 0.9 12.7 21.8 68 68 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.314 113.0 9.5 -58.8 139.9 -2.1 10.6 22.7 69 69 A N T 3 S+ 0 0 183 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.596 112.4 97.8 66.3 17.0 -5.0 12.6 24.3 70 70 A A S < S- 0 0 44 -3,-1.6 2,-0.3 0, 0.0 -1,-0.2 -0.834 80.8 -97.6-130.6 163.5 -3.4 15.9 23.5 71 71 A D - 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