==== 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 HYDROLASE 28-SEP-06 2IIT . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SCAPIN,T.BIFTU,A.E.WEBER . 1456 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 965 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 376 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 132 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.6 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 6 2 2 1 2 0 0 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 7 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 . 11 10 7 10 11 8 5 5 2 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 . 4 0 11 3 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 39 A T 0 0 179 0, 0.0 469,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -40.0 34.5 47.8 78.1 2 40 A R - 0 0 115 1,-0.2 467,-0.1 467,-0.0 466,-0.0 -0.184 360.0 -77.9 -74.6 174.1 36.2 50.5 75.9 3 41 A K E -a 469 0A 113 465,-0.8 467,-2.4 1,-0.1 2,-0.2 -0.245 39.6-137.0 -73.0 160.5 34.6 51.8 72.7 4 42 A T E -a 470 0A 34 465,-0.2 2,-0.9 528,-0.0 467,-0.1 -0.713 35.3 -88.5-111.4 167.0 34.6 50.0 69.3 5 43 A Y - 0 0 4 465,-0.6 527,-0.4 -2,-0.2 526,-0.1 -0.680 59.2-162.9 -77.8 108.2 35.3 51.5 65.8 6 44 A T > - 0 0 44 -2,-0.9 4,-1.8 525,-0.1 5,-0.1 -0.301 32.9-106.8 -90.1 174.4 31.7 52.6 64.9 7 45 A L H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 122.1 53.4 -65.7 -40.3 30.0 53.5 61.6 8 46 A T H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 6,-0.3 0.886 104.9 55.5 -62.6 -37.2 30.1 57.2 62.7 9 47 A D H >>S+ 0 0 22 1,-0.2 5,-1.5 2,-0.2 4,-0.5 0.930 111.1 43.9 -61.5 -42.0 33.8 56.9 63.3 10 48 A Y H ><5S+ 0 0 29 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.941 117.5 44.4 -68.1 -44.7 34.3 55.7 59.8 11 49 A L H 3<5S+ 0 0 20 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.776 120.2 39.5 -70.5 -30.4 31.9 58.3 58.2 12 50 A K H 3<5S- 0 0 122 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.299 103.9-124.7-101.5 5.7 33.2 61.3 60.3 13 51 A N T <<5 + 0 0 103 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.866 45.2 166.9 52.5 42.6 36.9 60.3 60.1 14 52 A T S - C 0 37B 83 3,-3.0 3,-1.0 -2,-0.7 -2,-0.1 -0.979 68.9 -5.1-131.6 120.7 52.7 72.7 57.4 35 73 A E T 3 S- 0 0 149 -2,-0.4 19,-0.2 1,-0.2 -1,-0.1 0.856 128.7 -60.2 67.0 34.7 50.1 75.0 59.0 36 74 A N T 3 S+ 0 0 117 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.586 117.5 118.1 66.5 11.9 49.1 76.2 55.5 37 75 A N E < -C 34 0B 14 -3,-1.0 -3,-3.0 16,-0.1 2,-0.7 -0.863 64.1-134.4-108.7 141.4 52.7 77.4 55.2 38 76 A I E -CD 33 52B 11 14,-2.2 13,-2.7 -2,-0.4 14,-2.0 -0.865 27.9-174.5 -98.5 118.0 55.1 76.0 52.6 39 77 A L E -CD 32 50B 15 -7,-2.7 -7,-2.2 -2,-0.7 2,-0.5 -0.775 19.3-136.3-110.7 157.0 58.5 75.2 54.1 40 78 A V E -CD 31 49B 20 9,-2.7 9,-1.4 -2,-0.3 2,-0.4 -0.951 22.1-155.0-113.3 130.4 61.7 74.1 52.4 41 79 A F E -CD 30 48B 21 -11,-3.5 -11,-1.5 -2,-0.5 2,-0.6 -0.862 14.1-139.4-112.3 143.6 63.6 71.3 54.0 42 80 A N E > -C 29 0B 40 5,-2.5 4,-2.5 -2,-0.4 -13,-0.2 -0.875 16.0-154.4 -94.5 120.6 67.2 70.3 53.8 43 81 A A T 4 S+ 0 0 0 -15,-2.7 -1,-0.2 -2,-0.6 -14,-0.1 0.898 86.2 57.3 -64.8 -42.5 67.3 66.5 53.6 44 82 A E T 4 S+ 0 0 53 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.884 126.8 13.4 -58.4 -42.2 70.8 66.0 55.0 45 83 A Y T 4 S- 0 0 179 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.658 91.5-124.5-111.9 -19.9 70.1 67.8 58.4 46 84 A G < + 0 0 22 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.460 60.7 140.9 89.8 -1.5 66.3 68.2 58.6 47 85 A N - 0 0 92 -5,-0.2 -5,-2.5 -6,-0.1 -1,-0.3 -0.458 30.6-167.2 -76.1 149.4 66.5 72.0 59.1 48 86 A S E -D 41 0B 56 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.837 18.5-161.1-134.4 171.6 63.9 74.2 57.4 49 87 A S E -D 40 0B 73 -9,-1.4 -9,-2.7 -2,-0.3 2,-0.5 -0.973 39.4 -95.6-149.1 150.4 63.0 77.7 56.4 50 88 A V E -D 39 0B 79 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.2 -0.602 34.1-177.6 -74.6 121.0 59.6 79.2 55.5 51 89 A F E S+ 0 0 50 -13,-2.7 2,-0.3 -2,-0.5 -12,-0.2 0.819 73.4 2.2 -86.7 -35.5 59.3 79.3 51.7 52 90 A L E S-D 38 0B 7 -14,-2.0 -14,-2.2 -12,-0.0 -1,-0.3 -0.842 74.7-124.6-159.0 117.7 56.0 81.0 51.6 53 91 A E > - 0 0 88 -2,-0.3 3,-1.5 -16,-0.2 4,-0.2 -0.293 16.1-133.0 -62.4 139.2 53.7 82.3 54.4 54 92 A N G > S+ 0 0 79 1,-0.3 3,-0.9 -19,-0.2 -1,-0.1 0.851 108.3 55.8 -59.9 -34.2 50.2 81.1 54.6 55 93 A S G > S+ 0 0 47 1,-0.2 3,-2.2 2,-0.1 -1,-0.3 0.525 75.8 98.1 -77.3 -8.1 49.0 84.7 55.0 56 94 A T G < S+ 0 0 35 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.761 93.7 36.7 -52.8 -24.3 50.7 85.8 51.8 57 95 A F G X S+ 0 0 31 -3,-0.9 3,-2.2 -4,-0.2 4,-0.3 0.091 74.1 128.3-119.5 26.4 47.3 85.5 50.1 58 96 A D T < S+ 0 0 110 -3,-2.2 3,-0.5 1,-0.3 -1,-0.1 0.886 83.8 37.3 -45.7 -52.0 44.9 86.7 52.9 59 97 A E T 3 S+ 0 0 180 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.0 -0.056 80.7 118.0 -95.7 35.1 43.2 89.2 50.6 60 98 A F < - 0 0 28 -3,-2.2 2,-0.2 2,-0.1 -1,-0.2 0.836 65.7-143.6 -69.1 -32.0 43.4 87.0 47.5 61 99 A G + 0 0 75 -3,-0.5 2,-0.2 -4,-0.3 -1,-0.1 -0.231 69.7 71.4 100.4 -45.4 39.6 86.8 47.2 62 100 A H S S- 0 0 93 -2,-0.2 2,-0.7 18,-0.0 -1,-0.2 -0.663 87.4-107.8-104.4 159.6 39.2 83.3 46.0 63 101 A S - 0 0 110 -2,-0.2 18,-0.5 -3,-0.1 2,-0.4 -0.786 36.1-129.8 -89.5 119.9 39.8 80.0 47.9 64 102 A I E -E 80 0C 64 -2,-0.7 16,-0.3 1,-0.2 3,-0.1 -0.558 21.4-172.0 -72.2 121.2 43.0 78.4 46.6 65 103 A N E - 0 0 82 14,-3.6 2,-0.3 -2,-0.4 15,-0.2 0.905 66.5 -22.3 -79.0 -44.1 42.4 74.8 45.7 66 104 A D E -E 79 0C 64 13,-1.1 13,-2.9 2,-0.0 2,-0.3 -0.950 58.4-136.9-157.9 173.0 46.1 74.0 45.1 67 105 A Y E -E 78 0C 29 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.949 5.1-162.4-138.3 158.9 49.5 75.5 44.3 68 106 A S E -E 77 0C 44 9,-2.0 9,-3.8 -2,-0.3 2,-0.4 -0.883 10.4-150.7-149.2 112.5 52.4 74.7 42.0 69 107 A I E -E 76 0C 23 -2,-0.3 7,-0.3 7,-0.3 50,-0.1 -0.694 28.1-115.6 -84.8 127.7 55.9 76.2 42.4 70 108 A S > - 0 0 2 5,-1.6 3,-2.3 -2,-0.4 54,-0.1 -0.219 33.5-105.3 -56.7 152.1 57.9 76.6 39.2 71 109 A P T 3 S+ 0 0 55 0, 0.0 53,-0.2 0, 0.0 -1,-0.1 0.772 120.0 53.7 -52.7 -29.8 61.0 74.3 39.1 72 110 A D T 3 S- 0 0 54 51,-1.3 52,-0.1 1,-0.0 -2,-0.1 0.367 108.6-121.6 -89.8 6.9 63.3 77.3 39.7 73 111 A G S < S+ 0 0 24 -3,-2.3 51,-0.1 50,-0.2 -1,-0.0 0.410 84.1 110.9 71.8 -1.7 61.4 78.5 42.8 74 112 A Q S S+ 0 0 69 49,-0.1 25,-2.7 25,-0.1 26,-0.8 0.812 75.4 28.7 -74.5 -31.6 60.7 81.9 41.2 75 113 A F E - F 0 98C 9 23,-0.2 -5,-1.6 24,-0.2 2,-0.4 -0.807 58.6-150.4-129.2 167.7 56.9 81.6 40.7 76 114 A I E -EF 69 97C 2 21,-1.4 21,-2.3 -2,-0.3 2,-0.5 -0.965 14.3-143.1-143.0 121.9 53.9 79.9 42.2 77 115 A L E -EF 68 96C 6 -9,-3.8 -9,-2.0 -2,-0.4 2,-0.5 -0.735 17.7-151.9 -85.0 125.4 50.8 78.9 40.2 78 116 A L E -EF 67 95C 2 17,-3.5 17,-1.7 -2,-0.5 2,-0.5 -0.891 5.5-156.7-104.3 125.9 47.6 79.4 42.2 79 117 A E E +EF 66 94C 12 -13,-2.9 -14,-3.6 -2,-0.5 -13,-1.1 -0.855 25.7 145.9-105.6 129.6 44.6 77.2 41.4 80 118 A Y E +EF 64 93C 13 13,-2.3 13,-3.7 -2,-0.5 -16,-0.1 -0.942 46.5 50.7-151.3 171.1 41.1 78.2 42.2 81 119 A N E S- 0 0 88 -18,-0.5 -1,-0.1 -2,-0.3 32,-0.1 0.835 73.8-171.1 62.5 33.4 37.5 77.9 40.9 82 120 A Y E - 0 0 92 10,-0.1 2,-0.4 -3,-0.1 10,-0.2 -0.328 12.4-177.1 -58.3 130.0 38.1 74.1 40.7 83 121 A V E - F 0 91C 89 8,-2.5 8,-2.0 -3,-0.1 -1,-0.0 -0.919 20.3-136.2-134.4 107.3 35.3 72.2 38.9 84 122 A K E + F 0 90C 97 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.236 26.8 170.5 -61.4 145.6 35.7 68.5 38.8 85 123 A Q - 0 0 71 4,-2.4 5,-0.2 1,-0.4 -1,-0.1 0.341 55.7 -19.1-118.5-103.7 35.0 66.5 35.6 86 124 A W S S- 0 0 34 585,-0.0 -1,-0.4 615,-0.0 87,-0.0 0.178 96.5 -57.9 -89.2-149.7 35.9 62.8 35.4 87 125 A R S S+ 0 0 145 1,-0.1 86,-0.1 -3,-0.1 80,-0.0 0.918 133.9 3.6 -61.7 -42.4 38.3 60.8 37.5 88 126 A H S S+ 0 0 67 84,-0.1 85,-0.2 -4,-0.0 -1,-0.1 0.710 111.3 93.5-114.8 -29.2 41.3 63.0 36.7 89 127 A S + 0 0 1 83,-0.1 -4,-2.4 74,-0.1 2,-0.3 -0.244 40.7 140.6 -70.6 153.7 39.9 65.8 34.6 90 128 A Y E -F 84 0C 46 25,-0.4 2,-0.3 -6,-0.3 -6,-0.2 -0.939 37.4-126.0-176.7 161.9 38.8 69.2 35.8 91 129 A T E +F 83 0C 34 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.3 -0.859 32.5 159.9-117.8 159.3 38.8 72.9 34.9 92 130 A A E -H 114 0D 0 22,-1.4 22,-2.3 -2,-0.3 2,-0.3 -0.963 37.1-102.9-163.7 175.9 40.0 75.8 37.1 93 131 A S E -F 80 0C 3 -13,-3.7 -13,-2.3 -2,-0.3 2,-0.4 -0.831 34.8-154.9-109.5 149.2 41.2 79.4 37.1 94 132 A Y E -F 79 0C 6 17,-0.4 2,-0.3 16,-0.4 -15,-0.2 -0.971 14.5-176.5-133.1 145.9 44.9 80.2 37.6 95 133 A D E -F 78 0C 5 -17,-1.7 -17,-3.5 -2,-0.4 2,-0.5 -0.970 17.9-141.8-134.4 146.0 46.9 83.1 38.9 96 134 A I E -F 77 0C 6 9,-0.4 9,-3.3 -2,-0.3 2,-0.5 -0.952 11.4-161.5-115.4 125.9 50.7 83.4 38.9 97 135 A Y E -FG 76 104C 22 -21,-2.3 -21,-1.4 -2,-0.5 2,-0.6 -0.910 16.2-134.5-109.8 130.3 52.5 85.1 41.8 98 136 A D E > -FG 75 103C 3 5,-3.3 5,-1.5 -2,-0.5 -23,-0.2 -0.715 14.5-167.2 -81.7 118.5 56.0 86.3 41.5 99 137 A L T > 5S+ 0 0 16 -25,-2.7 3,-0.6 -2,-0.6 -1,-0.2 0.873 83.4 53.1 -75.2 -37.2 58.0 85.2 44.5 100 138 A N T 3 5S+ 0 0 97 -26,-0.8 -1,-0.1 1,-0.2 -25,-0.1 0.979 119.9 31.4 -62.1 -58.0 61.0 87.5 43.8 101 139 A K T 3 5S- 0 0 116 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.262 102.8-131.0 -86.1 14.6 59.0 90.7 43.6 102 140 A R T < 5 + 0 0 119 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.851 67.2 125.0 37.8 46.8 56.4 89.4 46.1 103 141 A Q E < -G 98 0C 108 -5,-1.5 -5,-3.3 0, 0.0 2,-0.2 -0.996 63.4-121.5-139.4 141.7 53.8 90.5 43.6 104 142 A L E -G 97 0C 47 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.3 -0.543 34.0-117.1 -78.0 142.8 50.9 88.8 41.8 105 143 A I + 0 0 8 -9,-3.3 -9,-0.4 -2,-0.2 -1,-0.1 -0.702 35.0 171.3 -86.0 131.0 50.9 88.9 38.0 106 144 A T + 0 0 104 -2,-0.4 2,-0.3 -11,-0.1 3,-0.3 0.396 49.6 86.3-117.3 -3.6 48.1 90.8 36.3 107 145 A E S S- 0 0 129 1,-0.2 35,-0.0 36,-0.0 -2,-0.0 -0.779 100.9 -6.6-102.9 148.0 49.1 90.9 32.7 108 146 A E S S- 0 0 107 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.859 88.4-174.3 40.0 51.6 48.5 88.3 30.0 109 147 A R - 0 0 109 -3,-0.3 -1,-0.1 1,-0.1 -14,-0.1 -0.443 32.4 -87.0 -82.1 151.5 47.0 85.9 32.6 110 148 A I - 0 0 6 -2,-0.1 -16,-0.4 1,-0.1 -1,-0.1 -0.244 54.7-107.7 -52.0 131.7 45.9 82.3 32.1 111 149 A P - 0 0 34 0, 0.0 3,-0.5 0, 0.0 -17,-0.4 0.039 32.0-100.5 -57.1 166.7 42.3 82.1 30.9 112 150 A N S S+ 0 0 80 1,-0.2 -19,-0.2 -19,-0.1 3,-0.1 -0.575 105.4 34.6 -88.5 156.5 39.4 80.9 33.0 113 151 A N S S+ 0 0 101 1,-0.2 18,-0.5 -2,-0.2 2,-0.3 0.886 81.6 177.5 67.6 36.0 38.1 77.4 32.6 114 152 A T B -H 92 0D 0 -22,-2.3 -22,-1.4 -3,-0.5 16,-0.2 -0.606 21.2-157.3 -75.9 132.4 41.6 76.2 31.8 115 153 A Q - 0 0 25 14,-1.9 -25,-0.4 -2,-0.3 2,-0.3 0.752 68.0 -5.2 -83.5 -26.5 41.7 72.5 31.2 116 154 A W E +I 129 0E 64 13,-1.3 13,-2.8 -24,-0.1 2,-0.3 -0.938 57.2 177.0-168.2 145.2 45.3 71.8 32.0 117 155 A V E +I 128 0E 13 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.988 5.0 172.8-151.5 147.3 48.5 73.7 32.9 118 156 A T E -I 127 0E 43 9,-1.9 9,-1.5 -2,-0.3 2,-0.0 -0.964 29.5-121.0-158.9 140.8 52.1 72.6 33.7 119 157 A W E -I 126 0E 14 -2,-0.3 7,-0.2 7,-0.2 59,-0.2 -0.330 43.2 -99.4 -72.9 163.5 55.4 74.3 34.3 120 158 A S - 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