==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-13 4JCN . COMPND 2 MOLECULE: GLUTAMYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR V.KRISHNAN,V.L.N.STHANAM . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.5 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+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 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 2 5 1 2 0 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 . 0 0 0 0 0 1 0 0 1 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 67 A V 0 0 25 0, 0.0 163,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 116.9 28.6 17.0 5.0 2 68 A I - 0 0 83 161,-0.2 188,-0.4 185,-0.1 4,-0.1 -0.830 360.0-178.0 -92.0 127.7 31.1 14.2 5.8 3 69 A L - 0 0 15 -2,-0.5 160,-0.2 2,-0.4 186,-0.0 -0.702 47.6 -93.8-122.9 163.4 31.6 13.7 9.6 4 70 A P S S+ 0 0 141 0, 0.0 2,-1.3 0, 0.0 158,-0.1 0.845 121.7 69.5 -44.6 -41.7 33.7 11.5 11.8 5 71 A N + 0 0 46 156,-0.5 158,-1.0 1,-0.1 -2,-0.4 -0.718 61.4 147.2 -78.1 88.0 30.7 9.3 11.7 6 72 A N + 0 0 75 -2,-1.3 2,-0.8 156,-0.2 142,-0.1 -0.732 8.8 152.8-118.5 75.5 30.8 8.2 8.0 7 73 A N + 0 0 63 140,-0.5 140,-1.8 -2,-0.3 2,-0.4 -0.840 18.2 164.6-107.1 92.0 29.3 4.7 8.1 8 74 A R E -A 146 0A 33 -2,-0.8 2,-0.4 138,-0.2 138,-0.2 -0.937 15.8-176.8-122.7 133.8 27.8 4.1 4.6 9 75 A H E -A 145 0A 107 136,-2.4 136,-3.0 -2,-0.4 2,-0.1 -0.988 25.9-121.3-129.1 132.1 26.6 0.9 2.9 10 76 A Q E -A 144 0A 58 -2,-0.4 2,-0.5 134,-0.2 134,-0.3 -0.413 20.1-141.2 -70.3 144.3 25.3 0.4 -0.6 11 77 A I E +A 143 0A 18 132,-2.9 132,-0.6 1,-0.1 3,-0.2 -0.915 27.5 165.5-107.2 132.6 21.9 -1.1 -1.0 12 78 A F + 0 0 125 -2,-0.5 2,-1.7 1,-0.1 3,-0.2 0.732 69.9 63.7-114.5 -41.4 21.4 -3.6 -3.9 13 79 A N > + 0 0 113 1,-0.2 3,-1.2 2,-0.1 6,-0.2 -0.496 68.5 157.1 -84.4 65.5 18.1 -5.3 -3.2 14 80 A T T 3 + 0 0 1 -2,-1.7 8,-0.2 1,-0.3 -1,-0.2 0.596 57.9 58.8 -73.3 -21.7 16.4 -1.9 -3.6 15 81 A T T 3 S+ 0 0 43 -3,-0.2 2,-0.3 53,-0.1 -1,-0.3 0.467 95.3 80.2 -91.2 3.0 12.9 -3.0 -4.4 16 82 A Q S X S- 0 0 109 -3,-1.2 3,-1.2 96,-0.1 4,-0.3 -0.738 90.4 -10.5-113.8 157.8 12.4 -4.9 -1.2 17 83 A G G > S- 0 0 45 -2,-0.3 3,-0.9 1,-0.2 96,-0.2 -0.268 122.1 -25.6 58.1-143.6 11.6 -3.9 2.4 18 84 A H G > S+ 0 0 35 1,-0.2 3,-0.6 2,-0.1 4,-0.2 0.558 125.4 77.5 -81.6 -7.5 11.6 -0.3 3.3 19 85 A Y G X S+ 0 0 48 -3,-1.2 3,-1.4 1,-0.2 49,-0.3 0.697 72.5 80.9 -73.3 -23.0 14.1 0.6 0.5 20 86 A D G < S+ 0 0 11 -3,-0.9 -1,-0.2 -4,-0.3 48,-0.2 0.822 89.9 49.9 -54.8 -37.9 11.5 0.5 -2.3 21 87 A A G < S+ 0 0 1 -3,-0.6 19,-2.3 92,-0.2 2,-0.3 0.591 83.9 105.4 -76.8 -15.7 10.1 4.0 -1.6 22 88 A V E < -J 39 0B 0 -3,-1.4 46,-2.6 -4,-0.2 2,-0.4 -0.534 61.3-162.3 -72.3 124.6 13.7 5.6 -1.6 23 89 A S E -JK 38 67B 0 15,-2.6 15,-1.8 -2,-0.3 2,-0.4 -0.916 21.4-137.4-126.3 140.7 13.9 7.4 -5.0 24 90 A F E -JK 37 66B 0 42,-2.4 42,-2.8 -2,-0.4 2,-0.4 -0.779 20.7-156.0 -92.3 134.4 16.5 8.8 -7.2 25 91 A I E -JK 36 65B 1 11,-2.6 11,-2.3 -2,-0.4 2,-0.4 -0.962 8.8-172.9-120.7 134.5 15.8 12.2 -8.9 26 92 A Y E +JK 35 64B 72 38,-2.4 38,-2.5 -2,-0.4 9,-0.2 -0.990 4.5 177.5-129.2 125.5 17.3 13.5 -12.1 27 93 A I E -J 34 0B 0 7,-2.9 7,-2.4 -2,-0.4 36,-0.1 -0.923 21.3-139.7-129.2 112.5 16.9 17.0 -13.4 28 94 A P E -J 33 0B 64 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.361 15.6-173.8 -65.6 145.7 18.6 18.2 -16.6 29 95 A I E > -J 32 0B 81 3,-2.0 3,-3.0 1,-0.1 27,-0.0 -0.923 41.8-109.1-126.4 146.5 20.1 21.8 -16.7 30 96 A D T 3 S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.942 119.5 48.7 -52.5 -48.7 21.4 22.7 -20.1 31 97 A G T 3 S- 0 0 86 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.470 135.3 -55.9 -58.2 -2.5 25.0 22.6 -18.9 32 98 A G E < S-J 29 0B 38 -3,-3.0 -3,-2.0 2,-0.0 2,-0.3 -0.879 72.7 -75.1 155.8-139.7 24.7 19.1 -17.2 33 99 A Y E -J 28 0B 112 -5,-0.3 2,-0.4 -2,-0.3 -7,-0.0 -0.980 19.6-136.2-155.5 166.8 22.2 17.9 -14.5 34 100 A M E -J 27 0B 46 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.3 -0.945 22.6-164.8-121.6 146.8 21.4 18.0 -10.9 35 101 A S E +J 26 0B 26 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.915 15.3 152.3-126.2 164.3 20.5 14.9 -9.0 36 102 A G E -J 25 0B 0 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.3 -0.843 31.1-106.7-161.7-161.5 18.8 14.3 -5.6 37 103 A S E +J 24 0B 0 132,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.883 27.7 164.3-134.6 170.8 16.7 11.9 -3.6 38 104 A G E -J 23 0B 0 -15,-1.8 -15,-2.6 -2,-0.3 2,-0.4 -0.927 28.9-114.7-167.4-170.5 13.2 11.6 -2.3 39 105 A V E -JL 22 47B 0 8,-2.0 8,-2.4 -2,-0.3 2,-0.4 -0.999 22.7-122.3-148.7 125.6 10.7 9.2 -0.8 40 106 A V E + L 0 46B 0 -19,-2.3 75,-3.0 -2,-0.4 6,-0.3 -0.667 37.6 163.7 -69.1 126.4 7.4 7.9 -2.2 41 107 A V E + 0 0 1 4,-2.7 173,-0.5 -2,-0.4 2,-0.3 0.381 56.7 13.7-125.6 -4.6 4.7 8.7 0.3 42 108 A G E > S- L 0 45B 0 3,-1.7 3,-0.8 171,-0.1 -1,-0.2 -0.955 92.8 -73.4-160.0-179.0 1.4 8.3 -1.6 43 109 A E T 3 S+ 0 0 65 -2,-0.3 66,-2.5 1,-0.3 67,-0.4 0.786 129.6 5.3 -52.4 -43.7 -0.2 7.0 -4.8 44 110 A N T 3 S+ 0 0 37 64,-0.2 55,-2.7 63,-0.2 2,-0.4 0.092 116.0 99.4-123.2 20.4 1.3 9.9 -7.0 45 111 A E E < +LM 42 98B 8 -3,-0.8 -4,-2.7 53,-0.2 -3,-1.7 -0.927 38.2 176.3-131.3 137.8 3.5 11.6 -4.5 46 112 A I E -LM 40 97B 0 51,-2.2 51,-2.5 -2,-0.4 2,-0.4 -0.893 23.2-136.0-119.2 154.7 7.1 11.9 -3.3 47 113 A L E +LM 39 96B 0 -8,-2.4 -8,-2.0 -2,-0.3 2,-0.2 -0.925 40.3 138.4-104.4 141.2 8.7 14.1 -0.7 48 114 A T E - M 0 95B 0 47,-2.0 47,-2.3 -2,-0.4 2,-0.2 -0.798 51.9 -61.9-155.3-165.3 12.0 15.9 -1.4 49 115 A N > - 0 0 0 -12,-0.4 4,-2.1 45,-0.2 45,-0.3 -0.598 29.8-128.0 -91.0 150.1 13.5 19.3 -0.9 50 116 A K H > S+ 0 0 48 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 113.6 57.0 -53.4 -44.8 12.4 22.7 -2.2 51 117 A H H > S+ 0 0 67 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.807 106.2 49.8 -66.6 -25.9 15.9 23.2 -3.5 52 118 A V H >4 S+ 0 0 1 2,-0.2 3,-1.6 -3,-0.1 4,-0.3 0.974 114.2 41.4 -68.4 -58.0 15.6 20.0 -5.5 53 119 A V H >< S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.3 5,-0.4 0.852 105.5 66.1 -62.7 -29.4 12.3 20.8 -7.2 54 120 A N H >< S+ 0 0 106 -4,-2.9 3,-1.8 1,-0.3 -1,-0.3 0.757 86.8 72.6 -64.4 -23.0 13.5 24.4 -7.7 55 121 A G T << S+ 0 0 13 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.634 83.7 67.9 -60.2 -18.3 16.1 22.9 -10.1 56 122 A A T X S- 0 0 0 -3,-2.0 3,-2.0 -4,-0.3 -1,-0.3 0.443 102.5-132.7 -81.1 -7.5 13.3 22.3 -12.6 57 123 A K T < S- 0 0 183 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.841 72.2 -48.1 56.2 38.5 12.9 26.2 -13.1 58 124 A G T 3 S+ 0 0 70 -5,-0.4 -1,-0.3 -4,-0.1 27,-0.1 0.387 117.0 107.4 85.4 3.2 9.2 25.9 -12.7 59 125 A N X - 0 0 66 -3,-2.0 3,-2.4 1,-0.1 4,-0.2 -0.863 46.7-168.4-114.7 107.2 8.5 23.0 -15.0 60 126 A P G > S+ 0 0 25 0, 0.0 3,-2.2 0, 0.0 22,-0.6 0.771 83.9 71.7 -63.9 -24.2 7.7 19.7 -13.2 61 127 A R G 3 S+ 0 0 155 1,-0.3 22,-0.0 22,-0.2 21,-0.0 0.613 84.8 67.7 -68.3 -12.2 8.1 17.8 -16.4 62 128 A N G < S+ 0 0 62 -3,-2.4 2,-0.6 -6,-0.2 -1,-0.3 0.480 86.0 90.5 -79.3 -6.8 11.9 18.4 -16.2 63 129 A I < - 0 0 1 -3,-2.2 19,-2.5 -4,-0.2 2,-0.5 -0.827 57.5-169.0-102.4 121.1 12.0 16.1 -13.1 64 130 A S E -KN 26 81B 22 -38,-2.5 -38,-2.4 -2,-0.6 2,-0.4 -0.936 5.1-163.4-100.5 128.9 12.5 12.3 -13.5 65 131 A V E -KN 25 80B 0 15,-2.6 15,-2.3 -2,-0.5 -40,-0.2 -0.974 6.5-174.0-116.5 122.8 11.8 10.1 -10.4 66 132 A H E > -K 24 0B 15 -42,-2.8 -42,-2.4 -2,-0.4 3,-1.4 -0.884 13.9-153.6-118.6 94.1 13.2 6.6 -10.3 67 133 A P E 3 S+K 23 0B 0 0, 0.0 10,-0.7 0, 0.0 -44,-0.3 -0.418 80.4 6.3 -68.3 139.4 12.0 4.7 -7.2 68 134 A S T 3 S+ 0 0 0 -46,-2.6 -54,-0.2 -49,-0.3 -45,-0.2 0.739 85.6 179.4 60.6 25.2 14.3 2.0 -6.0 69 135 A A < - 0 0 0 -3,-1.4 6,-0.2 -47,-0.2 74,-0.2 -0.307 13.5-171.9 -53.2 137.1 17.0 2.9 -8.6 70 136 A K - 0 0 68 4,-2.8 73,-0.4 1,-0.5 2,-0.3 0.738 62.3 -30.5-101.1 -37.2 20.0 0.6 -8.3 71 137 A N B > S-P 74 0C 57 3,-1.7 3,-2.0 71,-0.1 -1,-0.5 -0.945 76.2 -76.5-168.2-180.0 22.5 2.3 -10.6 72 138 A E T 3 S+ 0 0 109 68,-0.8 3,-0.1 1,-0.3 69,-0.1 0.749 131.2 40.1 -62.6 -23.5 22.5 4.4 -13.8 73 139 A N T 3 S+ 0 0 147 1,-0.2 -1,-0.3 68,-0.0 2,-0.3 0.147 111.7 61.4-111.0 21.8 21.8 1.4 -16.0 74 140 A D B < +P 71 0C 52 -3,-2.0 -4,-2.8 67,-0.1 -3,-1.7 -0.745 44.1 156.7-158.3 93.6 19.3 -0.4 -13.6 75 141 A Y > - 0 0 66 -2,-0.3 3,-2.2 -6,-0.2 -6,-0.2 -0.863 16.7-175.9-114.4 87.1 16.0 1.3 -12.8 76 142 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.801 84.6 39.6 -68.2 -23.0 13.9 -1.7 -11.8 77 143 A N T 3 S- 0 0 38 -10,-0.7 -8,-0.1 1,-0.3 -9,-0.1 0.150 104.0-140.7-104.2 14.9 10.8 0.4 -11.3 78 144 A G < - 0 0 26 -3,-2.2 -1,-0.3 -12,-0.1 2,-0.3 -0.308 34.0 -61.3 61.8-145.6 11.4 2.7 -14.3 79 145 A K - 0 0 90 -13,-0.2 2,-0.4 -3,-0.1 -13,-0.2 -0.951 30.2-152.8-136.9 163.5 10.6 6.3 -13.9 80 146 A F E -N 65 0B 1 -15,-2.3 -15,-2.6 -2,-0.3 2,-0.4 -0.990 23.7-130.2-136.9 135.2 7.8 8.8 -13.3 81 147 A V E -N 64 0B 24 -2,-0.4 19,-3.2 20,-0.3 -17,-0.2 -0.750 27.2-101.1 -93.2 141.1 7.7 12.3 -14.5 82 148 A G E +O 99 0B 0 -19,-2.5 17,-0.3 -22,-0.6 3,-0.1 -0.130 41.1 166.6 -47.8 135.9 7.0 15.4 -12.4 83 149 A Q E + 0 0 96 15,-3.4 2,-0.3 1,-0.3 16,-0.2 0.635 62.8 9.6-124.0 -41.3 3.5 16.8 -12.7 84 150 A E E -O 98 0B 82 14,-1.9 14,-3.4 -24,-0.1 2,-0.5 -0.965 57.5-147.4-151.0 132.7 2.9 19.3 -9.9 85 151 A I E -O 97 0B 44 -2,-0.3 12,-0.2 12,-0.2 14,-0.0 -0.857 14.2-176.0-100.4 120.7 5.2 20.8 -7.3 86 152 A I E -O 96 0B 21 10,-3.2 10,-2.9 -2,-0.5 2,-0.1 -0.882 13.1-156.7-118.9 97.1 3.6 21.6 -3.9 87 153 A P E -O 95 0B 67 0, 0.0 8,-0.3 0, 0.0 6,-0.1 -0.429 27.3-106.9 -74.2 143.9 6.1 23.4 -1.6 88 154 A Y - 0 0 15 6,-2.6 4,-0.3 4,-0.2 6,-0.2 -0.601 27.3-139.3 -64.0 122.3 5.5 23.2 2.1 89 155 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.782 75.5 83.6 -64.9 -24.1 4.3 26.7 3.0 90 156 A G S S- 0 0 17 1,-0.1 2,-2.1 111,-0.1 4,-0.2 -0.054 100.3 -85.0 -73.0 175.9 6.4 26.8 6.2 91 157 A N S S+ 0 0 169 2,-0.1 2,-0.3 0, 0.0 65,-0.1 -0.384 91.1 97.9 -88.6 63.2 10.0 27.7 6.7 92 158 A S S S- 0 0 19 -2,-2.1 2,-1.8 -4,-0.3 -4,-0.2 -0.991 82.7-106.2-147.1 151.5 11.6 24.3 5.9 93 159 A D S S+ 0 0 33 -2,-0.3 2,-0.4 90,-0.1 103,-0.2 -0.498 75.1 124.5 -78.7 66.0 13.2 22.7 2.8 94 160 A L + 0 0 0 -2,-1.8 -6,-2.6 -45,-0.3 2,-0.3 -0.996 28.8 164.3-136.8 132.3 10.3 20.5 1.9 95 161 A A E -MO 48 87B 0 -47,-2.3 -47,-2.0 -2,-0.4 2,-0.4 -0.997 28.7-134.3-144.7 148.0 8.2 20.0 -1.1 96 162 A I E -MO 47 86B 0 -10,-2.9 -10,-3.2 -2,-0.3 2,-0.5 -0.843 19.4-159.6 -90.3 137.8 5.7 17.4 -2.4 97 163 A L E -MO 46 85B 0 -51,-2.5 -51,-2.2 -2,-0.4 2,-0.4 -0.981 3.7-154.8-117.7 120.1 6.2 16.4 -6.0 98 164 A R E -MO 45 84B 47 -14,-3.4 -15,-3.4 -2,-0.5 -14,-1.9 -0.775 16.8-159.0 -86.7 134.4 3.2 14.8 -7.7 99 165 A V E - 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