==== 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 18-FEB-12 4DSA . 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 . 1448 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1009 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 373 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.5 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 . 14 1.0 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 . 167 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.5 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 2 5 3 2 4 0 2 0 0 1 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 13 6 6 15 9 8 6 6 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 2 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 41 A K 0 0 131 0, 0.0 467,-1.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.8 -20.2 -20.7 -10.4 2 42 A T - 0 0 36 465,-0.2 2,-1.0 528,-0.0 467,-0.1 -0.771 360.0 -94.1-130.8 167.3 -17.9 -17.9 -11.5 3 43 A Y - 0 0 6 465,-0.4 527,-0.3 -2,-0.2 525,-0.1 -0.785 55.3-171.7 -87.2 99.1 -14.2 -17.1 -11.9 4 44 A T > - 0 0 48 -2,-1.0 4,-1.4 525,-0.1 522,-0.2 -0.172 38.5-100.3 -89.0 177.9 -13.4 -15.5 -8.5 5 45 A L H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.951 123.8 50.6 -62.8 -46.4 -10.4 -13.7 -7.1 6 46 A T H > S+ 0 0 80 1,-0.3 4,-3.3 2,-0.2 6,-0.3 0.820 100.1 62.6 -64.4 -32.2 -9.3 -16.8 -5.3 7 47 A D H 4>S+ 0 0 9 1,-0.2 5,-2.4 2,-0.2 6,-0.4 0.961 113.4 37.9 -53.8 -46.3 -9.6 -18.9 -8.5 8 48 A Y H ><5S+ 0 0 37 -4,-1.4 3,-0.8 -3,-0.4 -2,-0.2 0.922 120.2 44.0 -70.8 -48.7 -6.9 -16.6 -9.8 9 49 A L H 3<5S+ 0 0 25 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.875 120.0 40.6 -67.1 -36.0 -4.8 -16.2 -6.7 10 50 A K T 3<5S- 0 0 135 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.227 106.2-123.3-104.8 16.9 -4.9 -19.9 -5.7 11 51 A N T < 5 + 0 0 90 -3,-0.8 3,-0.3 1,-0.1 -3,-0.2 0.864 46.5 167.1 51.8 47.4 -4.5 -21.2 -9.3 12 52 A T < + 0 0 61 -5,-2.4 2,-0.7 -6,-0.3 -4,-0.1 0.868 67.7 41.8 -62.2 -42.5 -7.6 -23.2 -9.2 13 53 A Y S S- 0 0 17 -6,-0.4 -1,-0.3 508,-0.1 -2,-0.1 -0.779 84.9-158.1-115.2 86.2 -7.8 -23.8 -12.9 14 54 A R - 0 0 173 -2,-0.7 2,-0.3 -3,-0.3 446,-0.1 -0.347 9.4-138.0 -70.7 136.4 -4.3 -24.7 -14.2 15 55 A L - 0 0 65 -2,-0.1 2,-0.4 506,-0.1 -1,-0.1 -0.689 27.2-125.5 -82.3 146.7 -3.2 -24.3 -17.8 16 56 A K - 0 0 88 -2,-0.3 2,-0.3 422,-0.1 439,-0.0 -0.778 22.5-164.0-103.2 143.3 -1.1 -27.2 -19.0 17 57 A L - 0 0 98 -2,-0.4 2,-0.4 2,-0.0 440,-0.1 -0.779 15.0-148.7-114.9 157.7 2.4 -26.9 -20.6 18 58 A Y - 0 0 23 -2,-0.3 2,-0.7 437,-0.1 437,-0.1 -0.854 20.8-173.5-126.9 100.1 4.4 -29.3 -22.6 19 59 A S + 0 0 82 -2,-0.4 12,-0.4 12,-0.2 2,-0.3 -0.828 10.9 167.3-102.1 109.1 8.1 -28.6 -21.9 20 60 A L - 0 0 19 -2,-0.7 2,-0.6 10,-0.1 10,-0.2 -0.920 24.6-153.1-124.6 143.9 10.6 -30.6 -24.0 21 61 A R E -A 29 0A 95 8,-1.3 8,-1.2 -2,-0.3 2,-0.1 -0.920 20.2-135.8-117.3 105.6 14.4 -30.3 -24.6 22 62 A W E +A 28 0A 32 -2,-0.6 6,-0.3 6,-0.2 3,-0.1 -0.347 26.3 173.2 -55.0 128.5 15.7 -31.6 -27.9 23 63 A I + 0 0 52 4,-2.2 2,-0.2 -2,-0.1 5,-0.2 0.492 68.6 5.5-111.2 -14.3 18.9 -33.7 -27.4 24 64 A S S S- 0 0 23 3,-1.7 399,-2.2 399,-0.0 0, 0.0 -0.729 92.1 -80.1-145.7-164.5 19.2 -34.9 -31.0 25 65 A D S S+ 0 0 59 397,-0.2 402,-0.3 -2,-0.2 401,-0.2 0.575 128.8 17.7 -79.8 -11.5 17.6 -34.5 -34.4 26 66 A H S S+ 0 0 42 400,-0.1 15,-2.5 1,-0.1 16,-0.4 0.300 114.6 72.8-145.9 3.5 14.8 -36.9 -33.5 27 67 A E E + B 0 40A 62 13,-0.2 -4,-2.2 14,-0.1 -3,-1.7 -0.970 45.7 173.2-130.8 146.6 14.8 -37.1 -29.7 28 68 A Y E -AB 22 39A 3 11,-1.5 11,-1.5 -2,-0.4 2,-0.4 -0.898 27.9-114.3-137.1 169.7 13.8 -34.9 -26.8 29 69 A L E -AB 21 38A 4 -8,-1.2 -8,-1.3 -2,-0.3 2,-0.3 -0.901 24.1-170.4-108.2 134.1 13.4 -35.1 -23.0 30 70 A Y E - B 0 37A 45 7,-0.7 7,-2.9 -2,-0.4 2,-0.4 -0.910 15.9-138.4-117.2 155.5 10.2 -34.9 -21.0 31 71 A K E - B 0 36A 119 -12,-0.4 2,-0.4 -2,-0.3 5,-0.3 -0.945 22.8-173.9-111.5 129.3 9.7 -34.6 -17.2 32 72 A Q E > - B 0 35A 88 3,-3.9 3,-4.2 -2,-0.4 2,-3.5 -0.968 59.2 -41.9-138.4 122.3 6.9 -36.6 -15.6 33 73 A E T 3 S- 0 0 175 -2,-0.4 -2,-0.0 1,-0.3 3,-0.0 -0.354 130.7 -34.4 58.9 -64.8 5.5 -36.7 -12.0 34 74 A N T 3 S+ 0 0 121 -2,-3.5 -1,-0.3 0, 0.0 2,-0.3 0.156 121.6 104.4-159.7 10.1 9.2 -36.5 -10.9 35 75 A N E < -B 32 0A 24 -3,-4.2 -3,-3.9 16,-0.1 2,-0.6 -0.725 59.7-139.8-103.3 146.2 10.8 -38.6 -13.7 36 76 A I E +BC 31 50A 15 14,-2.3 14,-3.1 -2,-0.3 13,-1.8 -0.942 30.6 172.8-101.4 119.4 12.9 -37.7 -16.8 37 77 A L E -BC 30 48A 27 -7,-2.9 -7,-0.7 -2,-0.6 2,-0.3 -0.434 24.9-134.8-102.9-175.4 12.0 -39.7 -19.8 38 78 A V E -BC 29 47A 22 9,-0.9 9,-1.6 -9,-0.2 2,-0.3 -0.931 15.5-153.9-144.2 122.9 13.1 -39.4 -23.4 39 79 A F E -BC 28 46A 35 -11,-1.5 -11,-1.5 -2,-0.3 2,-0.6 -0.720 10.1-138.0 -96.3 144.4 10.6 -39.7 -26.3 40 80 A N E > -B 27 0A 20 5,-1.8 4,-1.2 -2,-0.3 -13,-0.2 -0.926 7.0-160.5-100.0 123.1 11.5 -40.8 -29.8 41 81 A A T 4 S+ 0 0 6 -15,-2.5 -14,-0.1 -2,-0.6 -1,-0.1 0.708 88.6 51.3 -74.0 -22.5 9.8 -38.6 -32.5 42 82 A E T 4 S+ 0 0 120 -16,-0.4 -1,-0.2 3,-0.1 -15,-0.1 0.881 127.5 15.5 -83.7 -43.3 10.2 -41.3 -35.2 43 83 A Y T 4 S- 0 0 181 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.844 89.4-128.8 -98.0 -46.9 8.8 -44.3 -33.4 44 84 A G < + 0 0 20 -4,-1.2 2,-0.2 1,-0.4 -3,-0.1 0.315 63.4 134.8 103.0 -4.6 6.9 -42.9 -30.5 45 85 A N - 0 0 80 -6,-0.1 -5,-1.8 2,-0.0 -1,-0.4 -0.548 35.1-168.1 -74.0 142.1 8.6 -45.3 -28.1 46 86 A S E -C 39 0A 56 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.939 7.0-162.1-130.1 155.8 9.9 -43.7 -24.9 47 87 A S E -C 38 0A 67 -9,-1.6 -9,-0.9 -2,-0.3 2,-0.2 -0.999 34.4 -99.7-138.5 137.8 12.3 -45.0 -22.2 48 88 A V E -C 37 0A 78 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.2 -0.397 37.2-179.4 -52.9 118.6 12.9 -43.9 -18.6 49 89 A F E S+ 0 0 67 -13,-1.8 2,-0.3 1,-0.4 -12,-0.2 0.806 72.6 6.1 -92.3 -40.0 16.1 -41.8 -18.9 50 90 A L E S-C 36 0A 20 -14,-3.1 -14,-2.3 0, 0.0 -1,-0.4 -0.970 79.2-127.7-144.4 138.8 16.3 -40.9 -15.2 51 91 A E > - 0 0 116 -2,-0.3 3,-2.4 -16,-0.2 4,-0.2 -0.601 17.3-124.2 -91.5 139.7 14.1 -42.3 -12.4 52 92 A N G > S+ 0 0 68 1,-0.3 3,-0.7 -2,-0.3 -1,-0.1 0.812 108.6 52.2 -47.6 -40.6 12.2 -40.1 -9.9 53 93 A S G > S+ 0 0 63 1,-0.2 3,-1.3 2,-0.1 4,-0.3 0.373 77.0 100.8 -83.1 3.5 13.8 -41.7 -6.8 54 94 A T G < S+ 0 0 38 -3,-2.4 -1,-0.2 1,-0.3 3,-0.1 0.763 94.7 31.1 -60.2 -26.6 17.4 -41.3 -8.0 55 95 A F G X S+ 0 0 40 -3,-0.7 3,-1.0 -4,-0.2 4,-0.5 -0.017 78.5 111.2-127.1 29.6 17.8 -38.3 -5.7 56 96 A D T < S+ 0 0 122 -3,-1.3 3,-0.2 1,-0.2 -2,-0.1 0.785 93.2 41.5 -64.2 -29.0 15.5 -39.1 -2.7 57 97 A E T 3 S+ 0 0 194 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.087 85.6 99.1-108.7 19.1 18.8 -39.4 -0.9 58 98 A F S < S- 0 0 23 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.1 0.919 77.3-143.8 -66.7 -44.7 20.5 -36.4 -2.5 59 99 A G + 0 0 71 -4,-0.5 2,-0.4 -3,-0.2 -3,-0.1 0.329 68.0 80.1 97.8 -6.5 19.7 -34.3 0.6 60 100 A H S S- 0 0 83 -5,-0.2 2,-0.4 18,-0.0 -1,-0.2 -0.987 83.8-112.9-131.6 141.7 19.0 -31.0 -1.3 61 101 A S - 0 0 112 -2,-0.4 2,-0.9 -3,-0.1 18,-0.6 -0.623 34.9-130.7 -73.7 127.6 16.0 -29.9 -3.2 62 102 A I E -D 78 0B 54 -2,-0.4 16,-0.3 1,-0.2 3,-0.1 -0.712 24.2-176.6 -89.9 104.1 16.9 -29.7 -6.9 63 103 A N E - 0 0 88 14,-0.9 2,-0.3 -2,-0.9 15,-0.2 0.924 68.3 -13.1 -64.6 -48.8 15.9 -26.4 -8.4 64 104 A D E -D 77 0B 66 13,-1.7 13,-3.5 2,-0.0 2,-0.3 -0.967 60.1-149.2-151.1 166.8 17.0 -27.2 -12.0 65 105 A Y E -D 76 0B 21 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.973 2.2-161.2-138.0 150.2 19.1 -29.8 -14.0 66 106 A S E -D 75 0B 46 9,-2.3 9,-4.5 -2,-0.3 2,-0.6 -0.998 9.5-148.9-136.0 134.6 21.2 -29.8 -17.2 67 107 A I E -D 74 0B 20 -2,-0.4 7,-0.2 7,-0.3 4,-0.1 -0.899 26.3-117.7-105.4 117.6 22.2 -32.8 -19.2 68 108 A S > - 0 0 0 5,-2.0 3,-2.9 -2,-0.6 5,-0.2 -0.213 29.8-115.9 -46.3 134.1 25.6 -32.6 -21.1 69 109 A P T 3 S+ 0 0 47 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 0.852 117.0 55.5 -49.4 -40.4 24.9 -32.9 -24.9 70 110 A D T 3 S- 0 0 53 51,-1.6 -2,-0.1 1,-0.1 52,-0.1 0.212 110.5-124.7 -77.1 14.8 26.8 -36.2 -25.0 71 111 A G S < S+ 0 0 27 -3,-2.9 -1,-0.1 50,-0.2 51,-0.1 0.580 79.5 117.7 56.4 14.3 24.5 -37.6 -22.3 72 112 A Q S S+ 0 0 62 49,-0.2 25,-1.9 1,-0.1 26,-0.9 0.715 73.7 21.9 -84.7 -23.6 27.5 -38.5 -20.1 73 113 A F E - 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