==== 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 LIGASE 05-DEC-09 3KYD . COMPND 2 MOLECULE: SUMO-ACTIVATING ENZYME SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.LIMA . 855 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 60 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 4 1 3 2 1 2 1 2 0 3 1 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 4 3 1 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 . 4 3 2 2 3 1 3 1 0 0 0 0 0 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 2 0 0 0 0 0 0 0 0 0 1 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 25 A L 0 0 188 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.6 18.2 57.0 26.1 2 26 A W >> - 0 0 177 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.908 360.0 -87.9-149.5 175.0 19.3 53.3 26.4 3 27 A G H 3> S+ 0 0 18 -2,-0.3 4,-0.6 1,-0.3 275,-0.0 0.536 122.2 69.6 -64.0 -8.0 19.9 50.2 24.3 4 28 A L H 3> S+ 0 0 130 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.715 92.2 56.7 -79.4 -25.5 16.1 49.6 24.9 5 29 A E H <> S+ 0 0 57 -3,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.820 101.9 55.6 -71.8 -34.3 15.4 52.6 22.6 6 30 A A H X S+ 0 0 5 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.799 105.3 54.3 -65.3 -31.2 17.4 50.8 19.9 7 31 A Q H X S+ 0 0 96 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.922 110.3 43.5 -66.8 -47.9 15.0 47.9 20.3 8 32 A K H < S+ 0 0 130 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.752 108.4 60.0 -71.9 -25.0 11.9 50.0 19.8 9 33 A R H < S+ 0 0 61 -4,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.868 108.6 43.7 -70.0 -37.8 13.5 51.8 16.9 10 34 A L H >< S+ 0 0 8 -4,-1.3 3,-1.9 1,-0.2 27,-0.8 0.912 110.0 55.7 -68.4 -44.5 13.9 48.4 15.1 11 35 A R T 3< S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.487 108.0 50.1 -71.6 -2.8 10.4 47.3 16.0 12 36 A A T 3 S+ 0 0 59 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.308 91.3 108.1-111.9 4.6 9.0 50.5 14.4 13 37 A S < - 0 0 5 -3,-1.9 25,-1.5 22,-0.2 24,-1.2 -0.650 52.8-154.1 -95.5 139.3 10.9 50.1 11.1 14 38 A R E -a 38 0A 44 -2,-0.3 89,-2.7 23,-0.2 90,-1.4 -0.945 14.7-164.0-109.8 127.5 9.5 49.2 7.7 15 39 A V E -ab 39 104A 0 23,-2.2 25,-2.5 -2,-0.5 2,-0.5 -0.878 11.9-148.1-115.3 140.5 11.8 47.5 5.2 16 40 A L E -ab 40 105A 0 88,-2.7 90,-3.2 -2,-0.4 2,-0.5 -0.933 15.2-169.1-104.0 124.8 11.4 47.0 1.4 17 41 A L E -ab 41 106A 0 23,-2.7 25,-3.0 -2,-0.5 2,-0.5 -0.978 2.5-163.3-116.8 122.1 13.0 43.9 0.0 18 42 A V E +ab 42 107A 7 88,-3.0 90,-1.7 -2,-0.5 25,-0.2 -0.908 60.6 33.3-106.4 128.4 13.4 43.4 -3.7 19 43 A G - 0 0 4 23,-2.5 2,-0.3 -2,-0.5 24,-0.2 0.761 57.1-156.0 95.3 101.3 14.0 40.0 -5.2 20 44 A L + 0 0 0 4,-0.2 -1,-0.1 3,-0.1 2,-0.1 -0.346 54.2 109.7-106.4 51.3 12.6 36.9 -3.6 21 45 A K S > S- 0 0 64 -2,-0.3 4,-2.6 34,-0.0 5,-0.2 -0.060 93.1 -51.1 -94.5-153.4 15.0 34.2 -4.8 22 46 A G H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 34,-0.1 0.908 138.7 40.6 -49.4 -54.6 17.5 32.4 -2.5 23 47 A L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 115.7 49.3 -66.6 -44.1 19.1 35.5 -1.0 24 48 A G H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.872 107.6 56.0 -62.9 -39.8 15.9 37.4 -0.5 25 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.938 110.5 45.2 -53.1 -50.2 14.3 34.4 1.1 26 50 A E H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.896 114.4 47.7 -61.6 -44.8 17.1 34.4 3.7 27 51 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.927 112.7 48.3 -64.9 -48.6 17.0 38.2 4.2 28 52 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.963 111.8 49.9 -53.6 -56.3 13.2 38.2 4.6 29 53 A K H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.868 113.7 46.0 -51.9 -43.6 13.3 35.3 7.1 30 54 A N H X S+ 0 0 12 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.948 115.7 43.5 -67.6 -50.1 16.0 37.0 9.2 31 55 A L H X>S+ 0 0 0 -4,-2.8 5,-1.1 2,-0.2 4,-1.1 0.868 113.4 52.1 -64.0 -39.8 14.4 40.4 9.3 32 56 A I H ><5S+ 0 0 0 -4,-3.0 3,-0.9 -5,-0.3 -1,-0.2 0.958 110.5 47.0 -62.6 -51.1 10.9 39.0 10.0 33 57 A L H 3<5S+ 0 0 25 -4,-1.9 326,-0.4 -5,-0.3 -1,-0.2 0.834 105.8 61.7 -57.4 -35.0 12.2 36.9 12.9 34 58 A A H 3<5S- 0 0 41 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.790 115.7-114.3 -63.3 -32.4 14.1 40.0 14.2 35 59 A G T <<5 + 0 0 10 -4,-1.1 -3,-0.2 -3,-0.9 -22,-0.2 0.867 45.0 175.0 98.1 45.9 10.8 41.9 14.6 36 60 A V < - 0 0 3 -5,-1.1 47,-0.2 1,-0.1 -25,-0.2 -0.417 46.1-111.4 -67.8 156.1 10.6 44.8 12.2 37 61 A K S S- 0 0 106 -24,-1.2 46,-1.8 -27,-0.8 2,-0.3 0.864 90.6 -25.5 -56.5 -36.2 7.3 46.7 12.2 38 62 A G E -ac 14 83A 0 -25,-1.5 -23,-2.2 44,-0.2 2,-0.4 -0.965 52.3-145.1-174.0 157.1 6.8 45.3 8.7 39 63 A L E -ac 15 84A 0 44,-1.4 46,-3.2 -2,-0.3 2,-0.6 -0.999 8.8-155.8-135.4 130.8 8.4 44.0 5.5 40 64 A T E -ac 16 85A 8 -25,-2.5 -23,-2.7 -2,-0.4 2,-0.6 -0.943 11.2-153.1-107.6 118.7 7.2 44.4 1.9 41 65 A M E -ac 17 86A 0 44,-3.0 46,-2.4 -2,-0.6 2,-0.5 -0.833 12.8-167.7 -93.6 119.3 8.4 41.7 -0.5 42 66 A L E +ac 18 87A 3 -25,-3.0 -23,-2.5 -2,-0.6 2,-0.3 -0.941 20.7 145.6-114.6 117.8 8.6 43.0 -4.0 43 67 A D - 0 0 9 44,-2.1 25,-0.3 -2,-0.5 26,-0.2 -0.972 28.3-169.0-147.4 136.6 9.1 40.7 -7.0 44 68 A H + 0 0 100 -2,-0.3 46,-0.1 23,-0.1 2,-0.1 0.607 65.2 90.2 -93.4 -15.5 7.8 40.9 -10.6 45 69 A E - 0 0 107 21,-0.1 22,-2.9 1,-0.1 23,-0.4 -0.389 69.9-126.4 -87.5 158.9 8.8 37.4 -11.6 46 70 A Q B -P 66 0B 121 20,-0.3 2,-0.3 21,-0.1 20,-0.3 -0.686 36.0 -91.2 -97.7 155.6 6.8 34.1 -11.4 47 71 A V - 0 0 4 18,-3.3 17,-2.1 15,-0.4 18,-0.1 -0.501 44.8-152.5 -64.4 125.1 8.0 30.9 -9.7 48 72 A T > - 0 0 51 -2,-0.3 3,-1.7 15,-0.2 14,-0.1 -0.570 33.4 -92.6 -95.5 163.0 9.8 28.7 -12.3 49 73 A P T 3 S+ 0 0 97 0, 0.0 14,-0.1 0, 0.0 13,-0.1 0.777 126.0 50.4 -40.1 -37.9 10.1 24.8 -12.2 50 74 A E T 3 S+ 0 0 135 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 -0.133 97.3 72.8-100.4 36.2 13.4 25.1 -10.3 51 75 A D S <> S+ 0 0 8 -3,-1.7 4,-2.2 2,-0.1 7,-0.2 0.756 72.8 69.7-117.5 -39.8 12.2 27.4 -7.6 52 76 A P T 4 S+ 0 0 12 0, 0.0 6,-0.3 0, 0.0 8,-0.1 0.865 109.0 40.7 -52.7 -41.6 9.9 25.6 -5.0 53 77 A G T 4 S+ 0 0 9 1,-0.2 5,-0.1 6,-0.1 -2,-0.1 0.997 116.7 43.9 -64.2 -72.9 12.8 23.6 -3.7 54 78 A A T 4 S+ 0 0 35 -4,-0.2 2,-0.7 1,-0.1 -1,-0.2 0.659 110.7 61.1 -52.0 -24.2 15.6 26.2 -3.6 55 79 A Q >< - 0 0 1 -4,-2.2 3,-1.3 1,-0.1 -1,-0.1 -0.923 68.5-167.8-110.7 108.2 13.2 28.8 -2.1 56 80 A F T 3 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.583 84.1 60.8 -75.6 -13.2 12.0 27.5 1.3 57 81 A L T 3 S+ 0 0 3 2,-0.1 17,-0.5 17,-0.0 2,-0.4 0.519 93.0 83.2 -87.6 -7.8 9.2 30.2 1.6 58 82 A I S < S- 0 0 0 -3,-1.3 2,-0.2 -6,-0.3 13,-0.1 -0.825 79.0-131.0 -97.9 134.6 7.6 28.8 -1.6 59 83 A R > - 0 0 104 11,-0.5 2,-0.7 -2,-0.4 3,-0.6 -0.539 27.7-104.3 -79.8 147.4 5.3 25.8 -1.5 60 84 A T T 3 S+ 0 0 73 322,-0.6 -1,-0.1 1,-0.2 324,-0.0 -0.655 112.0 45.6 -71.4 112.3 5.8 22.9 -3.9 61 85 A G T 3 S+ 0 0 69 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.569 80.0 105.5 118.8 30.0 3.0 23.4 -6.4 62 86 A S X + 0 0 2 -3,-0.6 3,-2.0 -14,-0.1 -15,-0.4 0.200 35.9 138.1-124.5 11.9 3.5 27.2 -7.0 63 87 A V T 3 S+ 0 0 80 1,-0.3 -15,-0.2 -17,-0.1 3,-0.1 -0.474 73.4 26.0 -65.4 121.3 5.0 27.2 -10.4 64 88 A G T 3 S+ 0 0 42 -17,-2.1 2,-0.3 1,-0.5 -1,-0.3 0.195 98.8 108.9 108.6 -12.5 3.5 30.0 -12.5 65 89 A R S < S- 0 0 81 -3,-2.0 -18,-3.3 -18,-0.1 -1,-0.5 -0.690 84.2 -84.3 -96.1 149.7 2.5 32.2 -9.4 66 90 A N B > -P 46 0B 24 -2,-0.3 4,-2.7 -20,-0.3 -20,-0.3 -0.263 35.3-132.5 -54.2 132.2 4.3 35.4 -8.5 67 91 A R T 4 S+ 0 0 17 -22,-2.9 4,-0.4 1,-0.2 -1,-0.1 0.832 105.2 43.4 -60.9 -38.5 7.4 34.7 -6.5 68 92 A A T >> S+ 0 0 0 -23,-0.4 4,-0.9 -25,-0.3 3,-0.6 0.878 113.8 50.9 -73.9 -40.2 6.6 37.3 -3.8 69 93 A E G >4 S+ 0 0 91 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.917 109.2 51.0 -61.4 -44.5 2.9 36.3 -3.6 70 94 A A G 3< S+ 0 0 3 -4,-2.7 -11,-0.5 1,-0.2 4,-0.3 0.608 108.4 53.9 -70.8 -13.8 3.9 32.6 -3.2 71 95 A S G <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.2 0.721 86.4 85.8 -88.1 -24.8 6.3 33.6 -0.3 72 96 A L H S+ 0 0 122 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.932 117.1 40.6 -58.9 -53.8 2.2 32.7 3.9 74 98 A R H > S+ 0 0 44 -17,-0.5 4,-0.7 -4,-0.3 -1,-0.2 0.915 117.3 50.6 -60.5 -44.9 5.4 31.0 5.0 75 99 A A H >< S+ 0 0 0 -4,-2.5 3,-0.7 -18,-0.3 4,-0.4 0.898 113.5 43.7 -61.1 -44.9 7.1 34.3 5.5 76 100 A Q H >< S+ 0 0 57 -4,-3.1 3,-1.6 1,-0.2 6,-0.2 0.886 103.2 66.5 -67.4 -40.1 4.2 35.7 7.7 77 101 A N H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.692 90.2 67.2 -54.3 -23.4 3.9 32.4 9.6 78 102 A L T << S+ 0 0 8 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.828 120.2 6.3 -67.1 -36.3 7.4 33.1 11.0 79 103 A N X - 0 0 9 -3,-1.6 3,-1.1 -4,-0.4 -1,-0.3 -0.806 56.0-167.2-156.7 106.1 6.2 36.1 13.1 80 104 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.699 89.4 64.5 -66.7 -22.1 2.5 37.2 13.4 81 105 A M T 3 S+ 0 0 135 -49,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.629 86.5 87.5 -77.9 -15.7 3.6 40.6 14.9 82 106 A V S < S- 0 0 4 -3,-1.1 2,-1.5 -6,-0.2 -44,-0.2 -0.678 80.8-129.7 -86.6 137.7 5.3 41.6 11.7 83 107 A D E -c 38 0A 69 -46,-1.8 -44,-1.4 -2,-0.3 2,-0.5 -0.675 32.5-170.3 -85.7 84.9 3.3 43.4 9.0 84 108 A V E +c 39 0A 10 -2,-1.5 2,-0.3 -46,-0.2 -44,-0.2 -0.680 10.7 172.2 -83.1 123.4 4.3 41.2 6.0 85 109 A K E -c 40 0A 83 -46,-3.2 -44,-3.0 -2,-0.5 2,-0.3 -0.846 20.0-140.4-128.3 165.1 3.2 42.6 2.7 86 110 A V E -c 41 0A 46 -2,-0.3 2,-0.3 -46,-0.2 -44,-0.2 -0.911 7.8-169.1-125.7 152.4 3.7 41.8 -1.0 87 111 A D E -c 42 0A 23 -46,-2.4 -44,-2.1 -2,-0.3 -19,-0.1 -0.963 4.7-177.9-140.1 125.2 4.2 43.9 -4.2 88 112 A T + 0 0 68 -2,-0.3 -21,-0.1 -46,-0.2 -46,-0.1 0.551 51.7 104.9 -97.0 -12.1 4.0 42.2 -7.7 89 113 A E S S- 0 0 77 1,-0.1 2,-0.2 2,-0.1 5,-0.1 -0.270 80.9 -91.5 -75.6 157.4 4.8 45.4 -9.7 90 114 A D > - 0 0 49 1,-0.1 3,-0.6 -46,-0.1 -1,-0.1 -0.488 22.4-145.3 -73.1 133.6 8.1 46.1 -11.5 91 115 A I G > S+ 0 0 14 1,-0.2 3,-1.4 -2,-0.2 -1,-0.1 0.800 96.2 63.2 -65.9 -31.3 10.7 48.1 -9.5 92 116 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.2 25,-0.0 -2,-0.0 0.781 108.8 40.0 -69.1 -29.0 12.0 49.8 -12.6 93 117 A K G < S+ 0 0 143 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.013 88.4 121.2-108.8 24.6 8.6 51.5 -13.2 94 118 A K < - 0 0 25 -3,-1.4 5,-0.1 -5,-0.1 -3,-0.0 -0.789 63.3-120.3 -92.1 129.2 7.9 52.3 -9.5 95 119 A P >> - 0 0 79 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.180 18.6-114.6 -67.4 160.2 7.4 56.0 -8.6 96 120 A E H >> S+ 0 0 74 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.775 112.3 67.9 -63.8 -29.0 9.6 57.9 -6.2 97 121 A S H 34 S+ 0 0 96 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.811 90.5 64.1 -58.5 -33.8 6.6 58.3 -3.8 98 122 A F H X4 S+ 0 0 27 -3,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.844 97.3 53.1 -60.9 -39.8 6.6 54.5 -3.2 99 123 A F H X< S+ 0 0 2 -3,-0.6 3,-2.2 -4,-0.5 -1,-0.2 0.779 89.1 76.5 -71.9 -29.1 10.0 54.4 -1.4 100 124 A T T 3< S+ 0 0 82 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.531 83.4 66.9 -67.0 -7.2 9.3 57.1 1.2 101 125 A Q T < S+ 0 0 96 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.3 0.519 92.7 78.4 -86.0 -6.7 7.2 54.7 3.3 102 126 A F < - 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