==== 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 SUGAR BINDING PROTEIN 12-SEP-01 1JYC . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR D.JAIN,K.J.KAUR,D.M.SALUNKE . 1008 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 66.0 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 . 404 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 119 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 2 12 0 4 12 8 8 6 4 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 2 0 0 0 0 0 0 0 2 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 0 150 0, 0.0 2,-0.4 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 -22.7 70.1 53.4 98.1 2 2 A D - 0 0 60 230,-0.1 2,-0.6 213,-0.0 213,-0.0 -0.780 360.0-147.1-100.7 141.5 68.6 52.7 101.5 3 3 A T - 0 0 36 -2,-0.4 213,-0.6 2,-0.0 2,-0.4 -0.926 24.4-174.4-105.3 119.3 69.6 54.3 104.8 4 4 A I E +A 215 0A 4 -2,-0.6 26,-2.8 211,-0.2 2,-0.4 -0.949 19.4 176.9-122.5 138.8 69.3 51.9 107.7 5 5 A V E +AB 214 29A 4 209,-1.8 209,-2.4 -2,-0.4 2,-0.3 -0.993 26.4 160.9-133.1 122.0 69.7 52.4 111.4 6 6 A A E -AB 213 28A 2 22,-2.1 22,-3.3 -2,-0.4 2,-0.6 -0.991 42.8-139.7-150.0 156.1 68.9 49.3 113.5 7 7 A V E -AB 212 27A 4 205,-2.3 205,-2.3 -2,-0.3 2,-0.4 -0.972 36.2-152.9-111.6 117.0 69.3 47.5 116.8 8 8 A E E -AB 211 26A 0 18,-2.3 18,-1.6 -2,-0.6 2,-0.9 -0.774 21.8-155.1-100.9 140.5 69.8 43.8 116.0 9 9 A L E -AB 210 25A 1 201,-3.7 201,-1.2 -2,-0.4 2,-0.8 -0.718 28.6-167.9-105.1 74.1 68.9 40.8 118.1 10 10 A D E +AB 209 24A 4 14,-0.9 14,-2.1 -2,-0.9 199,-0.2 -0.547 19.7 177.3 -71.8 106.5 71.5 38.6 116.5 11 11 A T + 0 0 0 -2,-0.8 198,-0.2 197,-0.6 -1,-0.2 0.286 63.6 68.2 -90.7 14.9 70.9 35.0 117.4 12 12 A Y S S- 0 0 34 196,-0.5 2,-1.1 12,-0.1 -1,-0.1 -0.950 70.1-139.2-150.4 123.9 73.8 33.9 115.2 13 13 A P + 0 0 17 0, 0.0 2,-1.3 0, 0.0 3,-0.1 -0.634 20.6 172.3 -81.6 95.9 77.6 34.2 115.0 14 14 A N > > + 0 0 20 -2,-1.1 3,-2.4 1,-0.2 5,-0.9 -0.623 8.7 174.9 -99.5 68.8 78.7 34.9 111.4 15 15 A T T 3 5 + 0 0 90 -2,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.530 66.6 76.8 -55.5 -5.7 82.2 35.4 112.7 16 16 A D T 3 5S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.408 103.6 33.1 -87.3 3.9 83.1 35.7 109.0 17 17 A I T < 5S- 0 0 7 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.176 133.7 -72.4-141.1 15.3 81.7 39.2 108.8 18 18 A G T 5S+ 0 0 55 -3,-0.4 -3,-0.2 1,-0.3 15,-0.0 -0.030 80.1 140.9 120.6 -35.0 82.3 40.7 112.3 19 19 A D < - 0 0 10 -5,-0.9 -1,-0.3 -7,-0.1 -2,-0.1 -0.085 54.3-118.4 -44.5 133.0 79.9 38.9 114.6 20 20 A P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 -5,-0.1 -0.194 38.6 -94.4 -65.7 173.1 81.4 38.0 118.0 21 21 A S S S+ 0 0 96 -6,-0.1 -2,-0.1 -7,-0.1 3,-0.0 -0.075 101.1 41.8 -86.2 41.0 81.4 34.3 118.7 22 22 A Y S S- 0 0 57 -2,-0.6 -10,-0.1 -10,-0.1 936,-0.1 -0.975 102.0 -63.0-169.1 165.7 78.1 34.2 120.6 23 23 A P + 0 0 7 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.314 66.0 161.7 -58.2 143.0 74.5 35.5 120.6 24 24 A H E -BC 10 39A 0 -14,-2.1 -14,-0.9 15,-0.3 2,-0.4 -0.953 39.0-126.9-156.2 171.6 74.6 39.3 120.9 25 25 A I E +BC 9 38A 0 13,-1.9 13,-1.2 -2,-0.3 2,-0.3 -0.934 37.0 167.9-123.3 147.1 72.7 42.6 120.5 26 26 A G E -BC 8 37A 0 -18,-1.6 -18,-2.3 -2,-0.4 2,-0.5 -0.975 35.3-114.4-155.9 168.7 74.2 45.4 118.6 27 27 A I E -BC 7 36A 0 9,-1.8 8,-3.0 -2,-0.3 9,-0.7 -0.949 28.6-162.7-113.3 122.5 73.7 48.8 116.9 28 28 A D E -B 6 0A 0 -22,-3.3 -22,-2.1 -2,-0.5 2,-0.6 -0.885 9.1-170.4-108.5 131.3 74.0 49.0 113.1 29 29 A I E S-B 5 0A 19 -2,-0.4 -24,-0.2 4,-0.3 4,-0.1 -0.864 78.0 -40.1-121.4 96.9 74.5 52.2 111.2 30 30 A K S S+ 0 0 130 -26,-2.8 2,-0.3 -2,-0.6 -25,-0.1 0.636 127.1 74.7 63.6 15.3 74.2 51.7 107.4 31 31 A S S S- 0 0 14 -27,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.988 77.6-132.7-156.6 145.7 76.1 48.4 107.8 32 32 A V S S+ 0 0 2 205,-0.7 2,-1.4 203,-0.3 204,-0.1 0.704 90.6 91.0 -71.6 -17.1 75.5 44.8 109.1 33 33 A R S S- 0 0 105 204,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.666 87.5-129.0 -82.8 93.6 78.8 45.2 110.9 34 34 A S - 0 0 26 -2,-1.4 -6,-0.2 1,-0.1 3,-0.2 0.023 5.9-142.7 -43.1 140.1 77.6 46.5 114.3 35 35 A K S S+ 0 0 107 -8,-3.0 2,-0.3 1,-0.3 -7,-0.1 0.860 89.6 5.3 -74.7 -36.3 79.3 49.7 115.6 36 36 A K E S-C 27 0A 109 -9,-0.7 -9,-1.8 41,-0.0 -1,-0.3 -0.988 72.6-172.1-148.0 139.7 79.0 48.2 119.1 37 37 A T E -C 26 0A 51 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.641 6.9-159.0-122.3-178.1 77.8 44.9 120.4 38 38 A A E -C 25 0A 21 -13,-1.2 -13,-1.9 -2,-0.2 35,-0.1 -0.865 33.0-100.3-166.3 127.6 77.1 43.2 123.8 39 39 A K E -C 24 0A 54 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.196 39.7-161.8 -51.4 134.3 76.9 39.6 124.8 40 40 A W - 0 0 4 -17,-2.5 920,-2.3 -30,-0.1 2,-2.1 -0.971 21.2-147.0-130.5 121.5 73.2 38.4 125.0 41 41 A N - 0 0 35 -2,-0.4 918,-0.1 918,-0.3 -17,-0.1 -0.361 30.8-164.7 -78.7 57.0 72.0 35.3 126.8 42 42 A M - 0 0 0 -2,-2.1 2,-0.4 1,-0.1 25,-0.0 -0.053 4.9-147.3 -40.9 144.8 69.2 34.7 124.2 43 43 A Q > - 0 0 24 3,-0.2 3,-1.2 916,-0.1 156,-0.3 -0.937 3.5-140.3-129.9 112.4 66.6 32.2 125.6 44 44 A N T 3 S+ 0 0 8 -2,-0.4 156,-0.2 1,-0.2 3,-0.1 -0.510 85.9 12.7 -75.7 126.7 64.7 29.8 123.3 45 45 A G T 3 S+ 0 0 26 154,-1.5 2,-0.4 -2,-0.3 -1,-0.2 0.286 105.0 109.8 93.2 -7.3 61.0 29.2 124.0 46 46 A K S < S- 0 0 86 -3,-1.2 153,-0.6 153,-0.4 2,-0.3 -0.861 71.2-120.6-109.4 135.7 60.9 32.2 126.3 47 47 A V E -H 198 0B 62 -2,-0.4 151,-0.2 151,-0.2 2,-0.2 -0.515 38.1-175.1 -70.1 130.1 59.2 35.5 125.8 48 48 A G E -H 197 0B 0 149,-2.6 149,-1.5 -2,-0.3 2,-0.4 -0.649 15.9-132.2-119.5 178.2 61.6 38.4 126.0 49 49 A T E -HI 196 66B 49 17,-2.2 17,-2.2 147,-0.2 2,-0.4 -0.998 9.4-163.5-139.4 136.9 61.5 42.2 125.9 50 50 A A E -HI 195 65B 1 145,-2.2 145,-1.8 -2,-0.4 2,-0.4 -0.967 5.6-172.2-121.2 134.8 63.4 44.8 123.9 51 51 A H E -HI 194 64B 63 13,-2.6 13,-2.5 -2,-0.4 2,-0.4 -0.995 3.2-175.2-129.2 123.3 63.4 48.4 124.9 52 52 A I E +HI 193 63B 3 141,-2.9 141,-2.5 -2,-0.4 2,-0.3 -0.968 7.0 174.7-121.6 136.3 65.0 51.1 122.6 53 53 A I E +HI 192 62B 73 9,-2.4 9,-2.1 -2,-0.4 2,-0.3 -0.946 6.9 169.3-138.7 160.4 65.4 54.8 123.5 54 54 A Y E -HI 191 61B 20 137,-1.5 137,-2.2 -2,-0.3 2,-0.3 -0.917 6.7-173.3-168.5 139.1 67.0 57.9 122.0 55 55 A N E >> -HI 190 60B 45 5,-0.6 4,-2.0 -2,-0.3 5,-0.6 -0.987 28.3-132.8-139.1 150.4 67.0 61.7 122.6 56 56 A S T 45S+ 0 0 24 133,-3.2 134,-0.1 -2,-0.3 -1,-0.1 0.646 101.1 65.1 -75.0 -15.4 68.5 64.6 120.8 57 57 A V T 45S+ 0 0 96 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.963 120.2 18.9 -70.7 -50.8 69.9 66.2 123.9 58 58 A D T 45S- 0 0 107 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.678 90.3-147.2 -91.0 -23.5 72.4 63.4 124.6 59 59 A K T <5 + 0 0 80 -4,-2.0 20,-1.5 1,-0.2 2,-0.4 0.920 49.0 138.1 53.2 48.4 72.4 61.9 121.1 60 60 A R E < -IJ 55 78B 106 -5,-0.6 -5,-0.6 18,-0.2 2,-0.6 -0.988 45.6-148.8-125.4 132.7 72.9 58.4 122.4 61 61 A L E +IJ 54 77B 3 16,-2.6 16,-1.8 -2,-0.4 2,-0.3 -0.912 25.4 180.0-103.2 119.7 71.0 55.3 121.1 62 62 A S E -IJ 53 76B 18 -9,-2.1 -9,-2.4 -2,-0.6 2,-0.3 -0.902 11.3-173.5-124.3 151.9 70.4 52.7 123.8 63 63 A A E -IJ 52 75B 0 12,-2.1 12,-1.8 -2,-0.3 2,-0.4 -0.998 6.2-167.2-144.8 145.0 68.8 49.3 124.0 64 64 A V E -IJ 51 74B 50 -13,-2.5 -13,-2.6 -2,-0.3 2,-0.4 -0.999 3.9-175.3-132.7 133.8 67.9 46.8 126.6 65 65 A V E +IJ 50 73B 2 8,-2.3 8,-2.6 -2,-0.4 2,-0.3 -0.998 18.2 157.7-129.3 128.7 66.9 43.2 126.1 66 66 A S E -IJ 49 72B 36 -17,-2.2 -17,-2.2 -2,-0.4 6,-0.2 -0.948 32.3-140.9-146.3 167.6 65.8 41.0 129.0 67 67 A Y > - 0 0 7 4,-0.7 3,-0.9 -2,-0.3 -19,-0.1 -0.957 50.5 -82.5-125.9 146.4 63.9 37.9 130.0 68 68 A P T 3 S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.268 113.9 -2.5 -51.8 125.8 61.8 37.8 133.3 69 69 A N T 3 S+ 0 0 157 1,-0.3 -3,-0.0 895,-0.0 0, 0.0 -0.018 114.3 96.3 81.7 -31.1 64.2 36.9 136.1 70 70 A A S < S- 0 0 23 -3,-0.9 -1,-0.3 -2,-0.3 894,-0.1 -0.125 83.2 -94.5 -75.5-176.9 67.3 36.6 133.9 71 71 A D - 0 0 68 892,-0.5 -4,-0.7 -3,-0.1 2,-0.4 -0.278 38.1-101.9 -92.5-173.5 69.6 39.6 133.6 72 72 A S E -J 66 0B 70 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.889 13.4-145.9-116.1 140.5 69.7 42.3 130.9 73 73 A A E -J 65 0B 11 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.4 -0.867 27.3-173.7 -98.5 132.2 71.9 42.8 127.9 74 74 A T E +J 64 0B 81 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.963 11.4 175.9-130.0 148.5 72.5 46.5 127.3 75 75 A V E -J 63 0B 6 -12,-1.8 -12,-2.1 -2,-0.4 2,-0.3 -0.981 2.7-177.6-152.6 138.6 74.3 48.4 124.5 76 76 A S E -J 62 0B 30 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.983 3.8-175.7-138.5 150.4 74.7 52.1 123.7 77 77 A Y E -J 61 0B 75 -16,-1.8 -16,-2.6 -2,-0.3 2,-0.7 -0.987 26.4-126.5-147.7 132.9 76.3 54.1 121.0 78 78 A D E +J 60 0B 97 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.723 46.8 149.4 -83.5 114.6 76.8 57.9 120.6 79 79 A V - 0 0 17 -20,-1.5 2,-1.0 -2,-0.7 -2,-0.1 -0.972 45.3-136.8-149.6 130.7 75.4 59.0 117.2 80 80 A D > - 0 0 42 -2,-0.3 3,-1.5 1,-0.2 -24,-0.1 -0.772 16.7-164.6 -87.9 106.8 73.8 62.1 115.9 81 81 A L G >> S+ 0 0 6 -2,-1.0 4,-2.1 1,-0.3 3,-1.2 0.611 79.5 76.6 -66.9 -12.6 70.8 60.9 113.9 82 82 A D G 34 S+ 0 0 37 1,-0.3 -1,-0.3 2,-0.2 102,-0.1 0.752 99.7 43.8 -69.5 -21.9 70.4 64.3 112.2 83 83 A N G <4 S+ 0 0 130 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.161 118.2 43.2-106.2 14.0 73.4 63.4 110.0 84 84 A V T <4 S+ 0 0 25 -3,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.627 109.6 44.0-126.7 -33.8 72.4 59.8 109.3 85 85 A L S < S- 0 0 7 -4,-2.1 -1,-0.3 1,-0.1 4,-0.1 -0.808 78.5-110.8-119.2 157.1 68.7 59.8 108.5 86 86 A P - 0 0 53 0, 0.0 95,-0.2 0, 0.0 -2,-0.1 -0.307 41.4-101.5 -74.4 168.8 66.4 62.0 106.4 87 87 A E S S+ 0 0 61 1,-0.1 94,-1.2 94,-0.1 95,-0.8 0.889 111.0 45.2 -59.9 -42.1 63.8 64.2 108.2 88 88 A W E S+D 180 0A 15 92,-0.2 129,-0.6 93,-0.1 2,-0.2 -0.914 73.5 156.9-109.6 130.2 61.0 61.8 107.4 89 89 A V E -DE 179 216A 0 90,-2.5 90,-3.4 -2,-0.5 2,-0.4 -0.742 34.6-124.0-136.6-178.7 61.5 58.0 107.9 90 90 A R E - 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