==== 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 20-FEB-12 4DSZ . 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) . 58673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 976 67.4 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 . 370 25.6 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 . 4 0.3 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 . 148 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.3 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 3 3 1 4 1 2 0 0 2 2 0 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 10 10 10 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 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 0 151 0, 0.0 467,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 165.2 34.9 -3.4 -9.4 2 42 A T - 0 0 40 465,-0.2 2,-1.2 528,-0.0 467,-0.1 -0.695 360.0 -86.0-140.7 165.1 31.5 -2.4 -10.7 3 43 A Y - 0 0 5 465,-0.5 527,-0.5 -2,-0.2 526,-0.1 -0.721 56.6-169.5 -85.1 94.7 28.9 0.5 -11.1 4 44 A T > - 0 0 51 -2,-1.2 4,-1.3 525,-0.1 5,-0.1 -0.226 35.9-102.3 -84.7 171.8 27.2 0.4 -7.7 5 45 A L H >> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.920 122.0 50.9 -59.6 -45.8 24.0 2.1 -6.5 6 46 A T H 3> S+ 0 0 80 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.881 101.3 62.3 -61.3 -39.5 26.0 4.7 -4.5 7 47 A D H 34>S+ 0 0 25 1,-0.2 5,-1.5 2,-0.2 6,-0.6 0.898 112.6 37.9 -49.4 -41.7 28.0 5.4 -7.6 8 48 A Y H <<5S+ 0 0 32 -4,-1.3 3,-0.3 -3,-0.6 -2,-0.2 0.886 120.3 44.2 -77.6 -41.7 24.7 6.5 -9.2 9 49 A L H <5S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.775 120.5 39.9 -77.0 -29.3 23.2 8.2 -6.1 10 50 A K T <5S- 0 0 129 -4,-3.9 -1,-0.2 -5,-0.2 -2,-0.2 0.341 102.5-132.0 -99.0 3.0 26.3 10.0 -5.1 11 51 A N T 5 + 0 0 83 -5,-0.3 -3,-0.2 -3,-0.3 -4,-0.1 0.891 44.9 161.8 49.4 50.8 27.2 10.9 -8.7 12 52 A T < + 0 0 74 -5,-1.5 2,-0.8 -6,-0.3 -4,-0.1 0.809 64.5 56.7 -74.8 -28.6 30.9 9.7 -8.3 13 53 A Y S S- 0 0 18 -6,-0.6 2,-0.3 508,-0.0 -1,-0.2 -0.861 84.3-158.5-102.9 98.7 31.4 9.4 -12.1 14 54 A R - 0 0 163 -2,-0.8 2,-0.4 -3,-0.1 446,-0.1 -0.582 12.3-148.1 -84.4 135.8 30.6 12.8 -13.6 15 55 A L - 0 0 58 -2,-0.3 2,-0.4 506,-0.1 422,-0.0 -0.817 24.7-137.2 -84.8 140.5 29.6 13.6 -17.2 16 56 A K - 0 0 101 -2,-0.4 2,-0.2 422,-0.2 439,-0.0 -0.834 16.8-165.0-106.6 140.4 30.8 17.0 -18.3 17 57 A L - 0 0 91 -2,-0.4 2,-0.2 2,-0.0 440,-0.1 -0.428 17.1-138.9-100.2 179.3 28.9 19.5 -20.3 18 58 A Y - 0 0 24 -2,-0.2 2,-0.7 421,-0.1 437,-0.1 -0.731 23.8-171.7-141.3 95.4 30.0 22.6 -22.1 19 59 A S + 0 0 75 -2,-0.2 12,-0.6 12,-0.1 2,-0.3 -0.800 14.4 158.8 -97.8 113.1 27.5 25.4 -21.5 20 60 A L E -A 30 0A 20 -2,-0.7 2,-0.4 10,-0.1 10,-0.2 -0.894 27.9-149.8-125.9 153.0 27.9 28.6 -23.5 21 61 A R E -A 29 0A 91 8,-1.3 8,-2.2 -2,-0.3 2,-0.3 -0.990 22.7-128.8-123.0 123.8 25.6 31.5 -24.5 22 62 A W E +A 28 0A 25 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.525 27.4 174.9 -67.4 125.0 26.2 33.3 -27.8 23 63 A I + 0 0 55 4,-2.7 2,-0.2 -2,-0.3 5,-0.2 0.572 69.2 4.6-104.7 -15.1 26.4 37.1 -27.3 24 64 A S S S- 0 0 22 3,-1.8 399,-1.9 399,-0.0 0, 0.0 -0.649 93.1 -81.1-141.2-159.7 27.4 38.0 -30.9 25 65 A D S S+ 0 0 59 397,-0.2 402,-0.3 -2,-0.2 401,-0.2 0.455 129.8 17.5 -88.2 -1.1 27.9 36.3 -34.2 26 66 A H S S+ 0 0 53 1,-0.2 15,-2.7 400,-0.1 16,-0.5 0.318 113.0 75.7-150.0 1.7 31.4 35.3 -33.1 27 67 A E E + B 0 40A 62 13,-0.2 -4,-2.7 14,-0.1 -3,-1.8 -0.982 46.7 173.5-127.7 135.9 31.5 35.6 -29.3 28 68 A Y E -AB 22 39A 1 11,-1.4 11,-2.0 -2,-0.4 2,-0.5 -0.925 27.5-120.3-129.9 159.8 30.1 33.4 -26.6 29 69 A L E -AB 21 38A 3 -8,-2.2 -8,-1.3 -2,-0.3 2,-0.4 -0.873 24.1-173.7-101.3 128.5 30.3 33.3 -22.8 30 70 A Y E -AB 20 37A 49 7,-0.7 7,-2.9 -2,-0.5 2,-0.3 -0.956 19.4-133.8-113.4 144.3 31.7 30.4 -20.8 31 71 A K E - B 0 36A 110 -12,-0.6 2,-0.3 -2,-0.4 5,-0.2 -0.747 23.8-176.2 -87.0 140.1 31.7 30.1 -17.0 32 72 A Q E > - B 0 35A 91 3,-2.9 2,-3.5 -2,-0.3 3,-3.3 -0.890 64.1 -40.9-144.5 113.7 35.0 28.8 -15.4 33 73 A E T 3 S- 0 0 163 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.234 128.0 -39.2 66.5 -53.8 35.6 28.1 -11.7 34 74 A N T 3 S+ 0 0 115 -2,-3.5 2,-0.4 1,-0.1 -1,-0.3 0.167 119.1 106.3-170.4 5.2 33.5 31.2 -11.0 35 75 A N E < -B 32 0A 29 -3,-3.3 -3,-2.9 16,-0.1 2,-0.8 -0.754 60.9-141.6 -96.2 134.5 34.8 33.5 -13.8 36 76 A I E -BC 31 50A 14 14,-2.4 14,-2.5 -2,-0.4 13,-1.9 -0.865 27.7-175.5 -95.4 109.8 32.7 34.4 -16.9 37 77 A L E -BC 30 48A 23 -7,-2.9 -7,-0.7 -2,-0.8 2,-0.4 -0.362 20.4-136.4 -90.7 177.5 35.1 34.5 -19.9 38 78 A V E -BC 29 47A 19 9,-1.4 9,-1.7 -9,-0.2 2,-0.6 -0.933 14.2-154.2-137.6 113.7 34.3 35.4 -23.4 39 79 A F E -BC 28 46A 36 -11,-2.0 -11,-1.4 -2,-0.4 2,-0.7 -0.784 7.8-146.0 -92.1 119.8 35.8 33.2 -26.2 40 80 A N E > -B 27 0A 20 5,-2.6 4,-1.4 -2,-0.6 -13,-0.2 -0.799 6.9-163.4 -81.0 115.8 36.3 34.9 -29.5 41 81 A A T 4 S+ 0 0 4 -15,-2.7 -1,-0.2 -2,-0.7 -14,-0.1 0.743 82.3 66.6 -70.1 -24.4 35.7 32.2 -32.1 42 82 A E T 4 S+ 0 0 116 -16,-0.5 -1,-0.2 1,-0.1 -15,-0.1 0.943 123.5 5.8 -64.2 -53.7 37.4 34.2 -34.8 43 83 A Y T 4 S- 0 0 194 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.1 0.852 94.2-118.1 -97.1 -46.9 40.9 34.1 -33.3 44 84 A G < + 0 0 26 -4,-1.4 -3,-0.1 1,-0.4 -2,-0.0 0.122 67.4 134.7 120.7 -16.9 40.7 31.7 -30.3 45 85 A N - 0 0 88 -6,-0.1 -5,-2.6 1,-0.0 -1,-0.4 -0.330 37.6-160.6 -61.0 143.0 41.7 34.3 -27.8 46 86 A S E -C 39 0A 62 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.988 3.7-162.2-132.0 142.9 39.6 34.4 -24.6 47 87 A S E -C 38 0A 57 -9,-1.7 -9,-1.4 -2,-0.4 2,-0.5 -0.936 30.2-104.7-128.8 143.9 39.3 37.3 -22.1 48 88 A V E +C 37 0A 86 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.548 39.3 170.8 -62.8 115.1 38.0 37.6 -18.5 49 89 A F E S+ 0 0 67 -13,-1.9 2,-0.3 -2,-0.5 -12,-0.2 0.760 71.7 11.9 -95.3 -37.4 34.6 39.3 -18.9 50 90 A L E S-C 36 0A 17 -14,-2.5 -14,-2.4 -3,-0.2 -1,-0.3 -0.973 77.8-132.0-146.9 136.2 33.7 38.8 -15.3 51 91 A E > - 0 0 107 -2,-0.3 3,-3.0 -16,-0.2 4,-0.3 -0.622 16.5-126.4 -97.4 137.9 35.8 37.8 -12.3 52 92 A N G > S+ 0 0 78 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.770 111.4 49.0 -46.7 -33.0 34.9 35.2 -9.7 53 93 A S G > S+ 0 0 59 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.389 78.7 101.1 -90.4 1.9 35.5 37.6 -6.8 54 94 A T G < S+ 0 0 42 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.731 92.7 34.0 -61.2 -20.7 33.3 40.4 -8.4 55 95 A F G X S+ 0 0 41 -3,-0.5 3,-0.7 -4,-0.3 4,-0.4 0.002 75.7 115.9-127.8 30.8 30.5 39.5 -6.0 56 96 A D T < S+ 0 0 124 -3,-1.3 3,-0.4 1,-0.3 -1,-0.1 0.820 89.9 39.4 -69.9 -31.9 32.1 38.4 -2.7 57 97 A E T 3 S+ 0 0 197 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.320 86.0 102.1 -97.2 6.3 30.5 41.3 -0.8 58 98 A F S < S- 0 0 23 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.824 76.7-147.6 -56.4 -32.0 27.3 40.9 -2.8 59 99 A G + 0 0 69 -3,-0.4 2,-0.4 -4,-0.4 -1,-0.1 0.273 62.8 81.7 86.8 -10.8 25.9 39.1 0.3 60 100 A H S S- 0 0 87 -5,-0.2 2,-0.4 18,-0.0 -1,-0.1 -0.960 83.4-112.0-127.8 144.3 23.6 36.7 -1.5 61 101 A S - 0 0 120 -2,-0.4 2,-0.7 -3,-0.1 18,-0.6 -0.636 39.4-132.5 -71.2 126.7 24.1 33.4 -3.1 62 102 A I E -D 78 0B 59 -2,-0.4 16,-0.2 1,-0.2 3,-0.1 -0.775 25.2-177.4 -93.7 111.9 23.5 34.1 -6.8 63 103 A N E - 0 0 87 14,-0.9 2,-0.3 -2,-0.7 15,-0.2 0.923 67.1 -6.3 -73.1 -48.2 21.2 31.5 -8.5 64 104 A D E -D 77 0B 65 13,-2.8 13,-3.0 2,-0.0 2,-0.3 -0.985 55.1-151.5-146.8 160.5 21.4 33.0 -12.0 65 105 A Y E -D 76 0B 27 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.935 3.6-166.4-123.6 153.4 22.7 35.9 -14.2 66 106 A S E -D 75 0B 39 9,-1.9 9,-4.3 -2,-0.3 2,-0.5 -0.934 11.1-151.7-139.8 119.4 21.4 37.5 -17.4 67 107 A I E -D 74 0B 22 -2,-0.3 7,-0.2 7,-0.3 4,-0.1 -0.782 25.0-115.8 -92.5 126.3 23.6 39.9 -19.4 68 108 A S > - 0 0 1 5,-2.0 3,-2.0 -2,-0.5 54,-0.1 -0.278 28.9-116.5 -55.8 141.3 21.9 42.6 -21.6 69 109 A P T 3 S+ 0 0 50 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 0.815 113.8 57.2 -58.8 -33.3 22.5 42.0 -25.3 70 110 A D T 3 S- 0 0 49 51,-1.5 -2,-0.1 1,-0.1 52,-0.1 0.068 111.5-119.4 -83.4 18.8 24.4 45.3 -25.6 71 111 A G S < S+ 0 0 34 -3,-2.0 -1,-0.1 1,-0.1 51,-0.1 0.468 83.5 111.6 64.8 6.8 26.9 44.3 -22.9 72 112 A Q S S+ 0 0 66 49,-0.2 25,-2.2 25,-0.1 26,-0.9 0.750 73.7 23.7 -88.9 -26.8 26.0 47.2 -20.6 73 113 A F E - E 0 96B 12 23,-0.2 -5,-2.0 24,-0.2 2,-0.4 -0.929 58.7-146.6-136.1 157.9 24.2 45.5 -17.7 74 114 A I E -DE 67 95B 2 21,-2.0 21,-2.3 -2,-0.3 2,-0.3 -0.997 16.3-140.8-128.4 129.2 24.1 42.2 -15.9 75 115 A L E -DE 66 94B 7 -9,-4.3 -9,-1.9 -2,-0.4 2,-0.6 -0.657 13.7-151.7 -86.1 136.5 20.9 40.9 -14.3 76 116 A L E -DE 65 93B 3 17,-2.4 17,-1.6 -2,-0.3 2,-0.5 -0.844 8.0-167.2-122.8 101.8 21.3 39.1 -11.0 77 117 A E E +DE 64 92B 11 -13,-3.0 -13,-2.8 -2,-0.6 -14,-0.9 -0.715 23.8 146.4 -87.1 123.6 18.8 36.4 -10.0 78 118 A Y E +DE 62 91B 12 13,-2.0 13,-2.6 -2,-0.5 -16,-0.1 -0.854 46.3 53.2-143.7 176.8 19.0 35.2 -6.4 79 119 A N E S- 0 0 94 -18,-0.6 32,-0.1 -2,-0.3 -1,-0.1 0.889 73.5-173.6 54.9 42.3 16.4 34.0 -3.9 80 120 A Y E - 0 0 95 10,-0.2 2,-0.2 -3,-0.1 10,-0.2 -0.354 11.6-179.4 -66.3 147.6 15.1 31.4 -6.4 81 121 A V E - E 0 89B 88 8,-1.3 8,-1.9 -2,-0.0 -1,-0.0 -0.767 22.5-132.6-158.3 96.6 12.0 29.5 -5.3 82 122 A K E + E 0 88B 95 -2,-0.2 6,-0.3 6,-0.2 3,-0.1 -0.172 26.6 172.9 -59.0 141.7 10.6 26.9 -7.6 83 123 A Q - 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