==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-FEB-12 4DTC . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.XIONG,L.R.ZHU,D.Q.CHEN,Y.L.ZHAO,F.JIANG,J.K.SHEN . 1456 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 992 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 363 24.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 157 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 5 1 3 2 0 2 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 0 6 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 PARALLEL BRIDGES PER LADDER . 9 10 11 9 8 8 4 8 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 12 4 0 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 S 0 0 90 0, 0.0 468,-0.1 0, 0.0 467,-0.1 0.000 360.0 360.0 360.0 133.8 38.4 -4.2 -13.7 2 40 A R + 0 0 226 466,-0.2 2,-0.1 2,-0.0 467,-0.1 0.760 360.0 73.2 -86.8 -28.7 37.5 -5.0 -10.1 3 41 A K B -a 469 0A 77 465,-0.7 467,-1.5 3,-0.0 2,-0.3 -0.360 61.5-157.2 -91.6 173.7 35.0 -2.2 -9.4 4 42 A T - 0 0 39 465,-0.2 2,-0.9 -2,-0.1 467,-0.1 -0.963 33.9 -94.4-149.1 144.3 31.5 -1.6 -10.6 5 43 A Y - 0 0 7 465,-0.4 527,-0.7 -2,-0.3 2,-0.1 -0.636 57.3-164.5 -66.8 105.2 29.0 1.3 -11.1 6 44 A T >> - 0 0 42 -2,-0.9 4,-2.0 525,-0.1 3,-0.8 -0.467 35.2-104.9 -96.3 166.2 27.2 1.1 -7.8 7 45 A L H 3> S+ 0 0 28 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.917 124.2 52.2 -51.6 -43.1 23.9 2.6 -6.5 8 46 A T H 3> S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 6,-0.3 0.776 102.9 57.8 -68.5 -27.6 26.1 5.1 -4.5 9 47 A D H <>>S+ 0 0 20 -3,-0.8 5,-1.7 2,-0.2 4,-0.7 0.942 112.6 40.6 -63.9 -45.6 27.9 6.0 -7.6 10 48 A Y H <5S+ 0 0 32 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.889 120.9 42.9 -65.4 -43.5 24.6 7.0 -9.2 11 49 A L H <5S+ 0 0 24 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.847 121.3 36.9 -75.3 -39.1 23.2 8.6 -6.1 12 50 A K H <5S- 0 0 136 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.421 106.9-120.8 -96.7 -3.0 26.3 10.5 -4.9 13 51 A N T <5 + 0 0 80 -4,-0.7 -3,-0.2 -5,-0.2 3,-0.2 0.914 44.2 170.9 63.2 45.9 27.4 11.4 -8.5 14 52 A T < + 0 0 67 -5,-1.7 2,-0.7 -6,-0.3 -4,-0.1 0.881 70.0 44.1 -48.3 -48.7 30.8 9.7 -8.3 15 53 A Y S S- 0 0 26 -6,-0.4 2,-0.2 508,-0.0 -1,-0.2 -0.844 80.4-158.9-111.4 100.4 31.4 10.2 -12.1 16 54 A R - 0 0 167 -2,-0.7 2,-0.5 -3,-0.2 446,-0.1 -0.518 11.0-140.4 -80.9 137.4 30.5 13.6 -13.5 17 55 A L - 0 0 53 -2,-0.2 2,-0.4 506,-0.1 -1,-0.0 -0.845 23.6-135.4 -86.1 129.8 29.7 14.4 -17.1 18 56 A K - 0 0 107 -2,-0.5 2,-0.2 422,-0.1 439,-0.0 -0.756 20.3-166.7 -90.7 133.1 31.2 17.8 -18.0 19 57 A L - 0 0 96 -2,-0.4 2,-0.3 422,-0.0 440,-0.1 -0.560 17.1-139.8-102.6 170.5 29.1 20.2 -20.1 20 58 A Y - 0 0 20 -2,-0.2 2,-1.0 437,-0.1 437,-0.1 -0.751 21.3-170.8-132.6 92.3 30.3 23.3 -21.9 21 59 A S + 0 0 78 -2,-0.3 12,-0.5 12,-0.1 2,-0.2 -0.698 13.2 168.8 -94.3 99.4 27.6 26.0 -21.4 22 60 A L - 0 0 22 -2,-1.0 2,-0.3 10,-0.1 10,-0.2 -0.638 22.0-155.5-106.5 160.5 28.2 29.1 -23.5 23 61 A R E -B 31 0B 93 8,-1.0 8,-0.9 -2,-0.2 401,-0.1 -0.856 14.2-141.4-142.0 103.4 26.1 32.1 -24.4 24 62 A W E +B 30 0B 23 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.298 24.5 168.9 -56.6 138.3 26.6 34.2 -27.6 25 63 A I S S+ 0 0 40 4,-3.5 2,-0.2 400,-0.1 5,-0.2 0.499 70.4 18.7-121.8 -19.7 26.3 38.0 -27.4 26 64 A S S S- 0 0 20 3,-1.9 399,-1.8 399,-0.1 -2,-0.0 -0.511 97.0 -85.8-125.5-162.1 27.7 39.0 -30.8 27 65 A D S S+ 0 0 57 397,-0.2 402,-0.2 -2,-0.2 397,-0.2 0.305 128.5 14.8 -90.7 8.7 28.2 37.1 -34.1 28 66 A H S S+ 0 0 38 1,-0.2 15,-1.6 400,-0.1 2,-0.5 0.274 111.0 86.1-158.5 -1.5 31.7 35.9 -32.8 29 67 A E E + C 0 42B 64 13,-0.2 -4,-3.5 14,-0.1 -3,-1.9 -0.957 44.7 160.0-119.0 123.4 31.6 36.6 -29.1 30 68 A Y E -BC 24 41B 2 11,-1.6 11,-1.2 -2,-0.5 2,-0.3 -0.825 30.1-117.8-127.5 171.5 30.2 34.2 -26.5 31 69 A L E -BC 23 40B 2 -8,-0.9 -8,-1.0 -2,-0.3 2,-0.4 -0.874 17.9-172.8-114.1 141.8 30.7 33.7 -22.7 32 70 A Y E - C 0 39B 63 7,-0.8 7,-2.4 -2,-0.3 2,-0.2 -0.976 18.1-140.4-131.1 129.6 32.1 31.0 -20.5 33 71 A K E - C 0 38B 97 -12,-0.5 2,-0.3 -2,-0.4 5,-0.2 -0.552 22.0-178.7 -78.8 142.1 31.9 30.9 -16.7 34 72 A Q E > - C 0 37B 92 3,-1.3 3,-3.4 -2,-0.2 20,-0.1 -0.877 66.6 -29.1-150.7 114.1 35.0 29.6 -14.8 35 73 A E T 3 S- 0 0 144 1,-0.3 19,-0.1 -2,-0.3 3,-0.1 0.932 131.6 -43.5 37.6 55.3 35.5 29.2 -11.0 36 74 A N T 3 S+ 0 0 103 1,-0.2 2,-0.7 17,-0.0 -1,-0.3 0.239 116.5 129.9 74.9 -8.3 33.1 32.2 -10.8 37 75 A N E < -C 34 0B 35 -3,-3.4 -3,-1.3 18,-0.1 2,-1.2 -0.674 48.8-154.4 -83.5 111.4 35.0 33.9 -13.7 38 76 A I E +CD 33 52B 11 14,-2.0 14,-1.8 -2,-0.7 13,-1.0 -0.703 24.7 178.9 -84.9 96.0 32.9 35.2 -16.6 39 77 A L E -CD 32 50B 34 -7,-2.4 -7,-0.8 -2,-1.2 2,-0.3 -0.291 24.5-137.1 -85.0 175.1 35.3 35.1 -19.5 40 78 A V E -CD 31 49B 27 9,-1.3 9,-0.8 -9,-0.2 2,-0.4 -0.902 15.2-153.9-138.0 105.7 34.5 36.1 -23.1 41 79 A F E -C 30 0B 44 -11,-1.2 -11,-1.6 -2,-0.3 2,-0.9 -0.675 5.0-149.3 -85.2 129.6 35.9 33.7 -25.8 42 80 A N E >> -C 29 0B 30 -2,-0.4 4,-1.0 -13,-0.2 3,-0.6 -0.850 9.3-170.3-102.6 99.8 36.5 35.3 -29.2 43 81 A A T 34 S+ 0 0 7 -15,-1.6 -1,-0.1 -2,-0.9 -14,-0.1 0.675 79.7 65.9 -63.7 -20.3 36.0 32.6 -31.7 44 82 A E T 34 S- 0 0 105 -16,-0.5 -1,-0.2 -3,-0.1 -15,-0.1 0.913 128.1 -4.2 -70.3 -46.6 37.4 34.8 -34.5 45 83 A Y T <4 S- 0 0 178 -3,-0.6 -2,-0.2 2,-0.0 3,-0.1 0.769 83.7-123.0-110.3 -55.8 41.0 34.9 -33.1 46 84 A G < + 0 0 23 -4,-1.0 2,-2.8 1,-0.0 -3,-0.1 0.158 68.6 129.7 120.5 -14.0 41.2 33.2 -29.8 47 85 A N + 0 0 118 -5,-0.1 2,-0.3 -6,-0.1 -4,-0.1 -0.396 37.6 148.6 -73.0 66.8 42.5 36.2 -27.9 48 86 A S + 0 0 35 -2,-2.8 2,-0.3 -6,-0.1 -7,-0.2 -0.749 8.4 131.3-102.4 147.7 39.9 35.8 -25.2 49 87 A S E +D 40 0B 78 -9,-0.8 -9,-1.3 -2,-0.3 -3,-0.0 -0.906 47.8 3.8-169.8-161.1 40.2 36.6 -21.6 50 88 A V E +D 39 0B 78 -2,-0.3 -1,-0.2 -11,-0.2 -11,-0.2 0.192 37.7 156.4 -38.6 138.5 38.5 38.4 -18.6 51 89 A F E S+ 0 0 61 -13,-1.0 2,-0.3 1,-0.0 -12,-0.2 0.420 83.8 2.9-122.7 -43.5 35.1 40.0 -18.8 52 90 A L E S-D 38 0B 13 -14,-1.8 -14,-2.0 0, 0.0 -1,-0.0 -0.843 77.9-128.4-153.7 112.2 34.3 39.8 -15.1 53 91 A E > - 0 0 108 -2,-0.3 3,-2.0 -16,-0.2 4,-0.2 -0.191 23.7-117.7 -61.6 146.3 36.6 38.6 -12.4 54 92 A N G > S+ 0 0 65 1,-0.3 3,-0.8 -20,-0.1 -1,-0.1 0.827 112.2 55.6 -53.4 -34.7 35.3 35.9 -9.9 55 93 A S G > S+ 0 0 71 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.512 73.3 103.1 -78.4 -5.8 35.7 38.3 -7.0 56 94 A T G < S+ 0 0 46 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.738 95.2 29.0 -53.3 -22.9 33.5 41.1 -8.4 57 95 A F G < S+ 0 0 30 -3,-0.8 3,-0.4 -4,-0.2 4,-0.4 0.174 78.4 112.9-128.6 18.7 30.7 40.0 -6.1 58 96 A D S < S+ 0 0 124 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.623 94.0 39.6 -63.7 -13.7 32.4 38.5 -3.0 59 97 A E S S+ 0 0 190 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.557 82.6 109.4-106.0 -13.4 31.0 41.5 -1.2 60 98 A F S S- 0 0 27 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.719 76.8-134.5 -36.7 -40.1 27.6 41.5 -3.0 61 99 A G S S+ 0 0 65 -4,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.305 71.9 67.0 101.8 -11.3 25.8 40.3 0.1 62 100 A H S S- 0 0 93 -5,-0.2 2,-0.3 18,-0.0 -1,-0.2 -0.967 86.7-101.8-137.1 155.6 23.6 37.5 -1.4 63 101 A S - 0 0 113 -2,-0.3 2,-0.7 -3,-0.1 18,-0.5 -0.613 42.2-132.2 -73.9 135.0 24.1 34.1 -3.0 64 102 A I E +E 80 0C 63 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.826 27.5 178.0-103.6 110.7 23.7 34.6 -6.7 65 103 A N E - 0 0 85 14,-1.2 2,-0.3 -2,-0.7 15,-0.2 0.925 66.3 -11.9 -73.5 -48.6 21.4 32.2 -8.5 66 104 A D E -E 79 0C 71 13,-2.6 13,-2.7 2,-0.0 2,-0.3 -0.961 54.9-147.9-151.0 166.5 21.7 33.6 -12.1 67 105 A Y E -E 78 0C 36 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.990 1.6-162.4-137.3 147.2 22.8 36.6 -14.2 68 106 A S E -E 77 0C 45 9,-2.0 9,-3.1 -2,-0.3 2,-0.5 -0.923 9.0-154.3-134.8 114.5 21.7 38.3 -17.4 69 107 A I E -E 76 0C 14 -2,-0.4 7,-0.2 7,-0.3 4,-0.1 -0.724 28.7-116.3 -81.8 123.6 23.9 40.6 -19.5 70 108 A S > - 0 0 0 5,-1.2 3,-1.1 -2,-0.5 5,-0.1 -0.235 26.7-115.8 -54.7 147.2 22.0 43.2 -21.5 71 109 A P T 3 S+ 0 0 38 0, 0.0 2,-0.6 0, 0.0 53,-0.1 0.878 113.5 62.3 -59.8 -38.3 22.6 42.6 -25.3 72 110 A D T 3 S- 0 0 45 51,-1.3 -2,-0.1 1,-0.1 52,-0.1 -0.053 112.1-118.1 -75.5 30.3 24.3 46.0 -25.7 73 111 A G S < S+ 0 0 32 -3,-1.1 -1,-0.1 -2,-0.6 51,-0.1 0.425 86.4 108.4 50.1 5.6 27.1 44.9 -23.2 74 112 A Q S S+ 0 0 66 49,-0.1 25,-2.0 25,-0.1 26,-0.8 0.723 71.0 28.1 -90.0 -23.8 26.2 47.6 -20.7 75 113 A F E - F 0 98C 13 23,-0.2 -5,-1.2 24,-0.1 2,-0.4 -0.868 53.3-146.7-135.0 165.1 24.5 45.9 -17.8 76 114 A I E -EF 69 97C 1 21,-1.5 21,-1.9 -2,-0.3 2,-0.4 -0.989 16.2-146.1-133.3 128.2 24.3 42.7 -15.8 77 115 A L E -EF 68 96C 5 -9,-3.1 -9,-2.0 -2,-0.4 2,-0.6 -0.751 13.5-149.3 -86.9 135.8 21.1 41.5 -14.2 78 116 A L E -EF 67 95C 4 17,-2.4 17,-1.9 -2,-0.4 2,-0.7 -0.897 8.3-165.6-119.5 108.3 21.5 39.7 -10.9 79 117 A E E +EF 66 94C 11 -13,-2.7 -13,-2.6 -2,-0.6 -14,-1.2 -0.776 25.0 147.9 -91.0 111.0 19.0 37.0 -10.0 80 118 A Y E +EF 64 93C 8 13,-2.6 13,-3.0 -2,-0.7 -16,-0.1 -0.796 45.2 53.5-132.0 173.6 19.2 36.0 -6.4 81 119 A N E S- 0 0 92 -18,-0.5 32,-0.2 -2,-0.3 -1,-0.2 0.920 71.3-169.6 62.7 48.6 16.6 34.7 -3.9 82 120 A Y E + 0 0 96 10,-0.2 2,-0.3 -3,-0.2 10,-0.2 -0.446 13.0 176.0 -70.9 137.7 15.3 31.9 -6.2 83 121 A V E - 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