==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/VIRAL PROTEIN 15-MAY-13 4KR0 . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.LU,Y.HU,Q.WANG,J.QI,F.GAO,Y.LI,Y.ZHANG,W.ZHANG,Y.YUAN,B.ZH . 936 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 92 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 1 5 2 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 0 3 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 . 6 5 4 5 8 4 5 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 6 2 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 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 0 165 0, 0.0 469,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.7 13.6 78.3 16.5 2 40 A R - 0 0 116 1,-0.1 467,-0.2 465,-0.1 466,-0.1 -0.106 360.0 -86.6 -70.2 171.6 10.1 77.2 15.6 3 41 A K B -a 469 0A 132 465,-1.4 467,-3.9 1,-0.1 2,-0.2 -0.166 39.0-119.0 -73.3 170.5 7.4 76.3 18.2 4 42 A T - 0 0 39 465,-0.2 2,-0.9 528,-0.0 467,-0.1 -0.647 29.0 -98.9-103.0 164.8 6.8 72.9 19.8 5 43 A Y - 0 0 2 465,-0.5 527,-0.5 522,-0.2 526,-0.1 -0.792 55.6-157.8 -78.7 106.5 3.8 70.6 19.7 6 44 A T > - 0 0 42 -2,-0.9 4,-1.9 525,-0.1 5,-0.1 -0.388 30.8-112.8 -89.3 165.8 2.4 71.5 23.1 7 45 A L H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 123.4 55.6 -58.8 -42.0 0.0 69.7 25.5 8 46 A T H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 103.5 54.6 -55.6 -39.7 -2.4 72.4 24.6 9 47 A D H >>S+ 0 0 22 1,-0.2 5,-1.7 2,-0.2 4,-0.6 0.924 110.6 44.9 -62.4 -44.4 -2.0 71.5 20.9 10 48 A Y H <5S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 117.5 43.3 -65.5 -40.4 -2.9 67.9 21.6 11 49 A L H <5S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.788 118.6 41.8 -80.7 -28.4 -5.9 68.7 23.8 12 50 A K H <5S- 0 0 121 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.479 103.0-129.7 -94.6 -3.7 -7.4 71.5 21.7 13 51 A N T <5 + 0 0 70 -4,-0.6 3,-0.2 -5,-0.2 -3,-0.2 0.939 46.4 162.4 50.4 54.5 -6.7 69.6 18.4 14 52 A T < + 0 0 57 -5,-1.7 2,-0.7 1,-0.2 -4,-0.1 0.802 65.6 52.7 -72.1 -31.2 -5.0 72.6 16.9 15 53 A Y S S- 0 0 27 -6,-0.5 -1,-0.2 508,-0.1 2,-0.2 -0.804 85.6-161.2-109.9 91.8 -3.3 70.5 14.2 16 54 A R - 0 0 156 -2,-0.7 2,-0.6 -3,-0.2 446,-0.1 -0.465 15.8-140.2 -83.6 136.7 -6.1 68.5 12.5 17 55 A L - 0 0 61 -2,-0.2 2,-0.2 506,-0.1 -1,-0.0 -0.827 24.3-141.8 -84.6 123.2 -5.8 65.4 10.4 18 56 A K - 0 0 112 -2,-0.6 2,-0.2 422,-0.1 439,-0.1 -0.494 20.0-169.5 -80.6 158.2 -8.2 65.6 7.4 19 57 A L - 0 0 100 -2,-0.2 2,-0.2 437,-0.1 440,-0.1 -0.717 21.0-139.4-131.9-178.7 -10.0 62.4 6.3 20 58 A Y - 0 0 20 -2,-0.2 2,-0.6 437,-0.1 437,-0.1 -0.720 22.1-179.1-148.7 97.1 -12.1 61.3 3.4 21 59 A S + 0 0 91 -2,-0.2 12,-0.5 12,-0.1 2,-0.3 -0.872 10.3 169.7 -99.4 125.5 -15.1 59.1 4.4 22 60 A L - 0 0 22 -2,-0.6 2,-0.4 10,-0.1 10,-0.2 -0.878 27.0-141.7-129.6 163.4 -17.3 57.9 1.6 23 61 A R E -B 31 0B 107 8,-1.4 8,-2.2 -2,-0.3 2,-0.3 -0.934 17.4-138.3-128.4 109.2 -20.1 55.4 1.1 24 62 A W E +B 30 0B 26 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.472 24.3 174.2 -60.8 124.6 -20.3 53.3 -2.0 25 63 A I + 0 0 62 4,-1.9 2,-0.2 -2,-0.3 5,-0.2 0.583 68.1 2.5-109.4 -18.5 -23.9 53.1 -3.1 26 64 A S S S- 0 0 22 3,-1.5 399,-1.9 0, 0.0 400,-0.1 -0.744 94.1 -76.3-145.1-164.1 -23.2 51.3 -6.4 27 65 A D S S+ 0 0 59 397,-0.3 401,-0.2 -2,-0.2 399,-0.2 0.476 128.9 16.0 -80.5 -1.7 -20.3 49.7 -8.4 28 66 A H S S+ 0 0 60 1,-0.1 15,-3.7 400,-0.1 16,-0.4 0.237 113.7 72.7-156.4 14.1 -19.1 53.2 -9.5 29 67 A E E + C 0 42B 60 13,-0.2 -4,-1.9 14,-0.1 -3,-1.5 -0.983 47.7 177.5-136.3 150.3 -20.7 55.8 -7.3 30 68 A Y E -BC 24 41B 5 11,-1.8 11,-2.8 -2,-0.3 2,-0.4 -0.982 25.8-116.8-147.5 159.7 -20.3 57.0 -3.7 31 69 A L E -BC 23 40B 13 -8,-2.2 -8,-1.4 -2,-0.3 2,-0.3 -0.783 28.6-178.8 -98.2 137.5 -21.6 59.6 -1.2 32 70 A Y E - C 0 39B 48 7,-2.8 7,-3.7 -2,-0.4 2,-0.6 -0.986 24.4-133.7-131.7 150.6 -19.5 62.3 0.3 33 71 A K E + C 0 38B 108 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.901 30.1 171.3 -98.8 117.4 -20.2 65.1 2.8 34 72 A Q E > S- C 0 37B 106 3,-3.0 3,-1.0 -2,-0.6 -2,-0.1 -0.947 72.8 -14.2-133.1 115.4 -18.7 68.4 1.6 35 73 A E T 3 S- 0 0 163 -2,-0.4 19,-0.2 1,-0.2 -1,-0.1 0.938 128.1 -56.6 55.0 50.6 -19.6 71.6 3.5 36 74 A N T 3 S+ 0 0 123 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.499 116.4 118.9 61.3 4.9 -22.4 69.7 5.3 37 75 A N E < -C 34 0B 32 -3,-1.0 -3,-3.0 16,-0.1 2,-0.6 -0.810 63.2-134.0 -96.2 140.1 -23.9 68.9 1.9 38 76 A I E -CD 33 52B 12 14,-2.4 13,-2.6 -2,-0.4 14,-2.5 -0.861 30.4-177.0 -94.8 122.8 -24.2 65.2 0.8 39 77 A L E -CD 32 50B 16 -7,-3.7 -7,-2.8 -2,-0.6 2,-0.5 -0.833 23.6-137.7-116.6 152.7 -22.9 64.7 -2.7 40 78 A V E -CD 31 49B 15 9,-2.5 9,-2.0 -2,-0.3 2,-0.4 -0.965 21.0-161.1-108.2 125.1 -22.8 61.7 -5.0 41 79 A F E -CD 30 48B 22 -11,-2.8 -11,-1.8 -2,-0.5 2,-0.4 -0.891 14.8-133.7-105.6 133.5 -19.5 61.4 -7.0 42 80 A N E > -C 29 0B 23 5,-2.6 4,-1.3 -2,-0.4 -13,-0.2 -0.732 14.1-143.1 -80.1 133.5 -19.2 59.2 -10.1 43 81 A A T 4 S+ 0 0 0 -15,-3.7 -1,-0.1 -2,-0.4 -14,-0.1 0.940 92.8 43.8 -65.4 -50.1 -16.1 57.1 -9.9 44 82 A E T 4 S+ 0 0 105 -16,-0.4 -1,-0.1 1,-0.1 -15,-0.0 0.992 126.1 24.9 -55.1 -74.9 -15.1 57.3 -13.5 45 83 A Y T 4 S- 0 0 168 1,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.835 88.5-137.2 -67.4 -38.0 -15.6 60.9 -14.4 46 84 A G < + 0 0 24 -4,-1.3 -1,-0.1 1,-0.4 -3,-0.1 0.379 56.7 140.6 87.8 -4.4 -15.2 62.4 -11.0 47 85 A N - 0 0 91 -6,-0.1 -5,-2.6 1,-0.0 -1,-0.4 -0.346 36.5-155.2 -64.8 153.1 -18.2 64.6 -11.7 48 86 A S E -D 41 0B 59 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.958 15.0-162.4-134.7 151.0 -20.6 65.2 -8.8 49 87 A S E -D 40 0B 71 -9,-2.0 -9,-2.5 -2,-0.3 2,-0.4 -0.950 35.6-103.1-126.3 151.4 -24.2 66.1 -8.3 50 88 A V E +D 39 0B 90 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.610 34.3 177.8 -75.5 127.7 -25.8 67.3 -5.0 51 89 A F E S+ 0 0 60 -13,-2.6 2,-0.3 -2,-0.4 -12,-0.2 0.806 70.6 9.9 -96.5 -39.4 -27.7 64.6 -3.2 52 90 A L E -D 38 0B 19 -14,-2.5 -14,-2.4 3,-0.0 -1,-0.3 -0.915 69.0-135.0-148.0 119.9 -28.8 66.6 -0.1 53 91 A E > - 0 0 124 -2,-0.3 3,-0.9 -16,-0.2 4,-0.2 -0.379 21.9-128.4 -63.7 145.9 -28.6 70.3 0.7 54 92 A N G > S+ 0 0 69 1,-0.2 3,-0.6 -19,-0.2 -1,-0.1 0.745 107.4 63.4 -65.3 -23.1 -27.3 71.1 4.2 55 93 A S G > S+ 0 0 58 1,-0.2 3,-2.5 2,-0.1 -1,-0.2 0.684 74.1 93.4 -75.7 -21.3 -30.4 73.3 4.6 56 94 A T G < S+ 0 0 39 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.788 97.7 29.1 -45.5 -41.6 -32.9 70.4 4.3 57 95 A F G X S+ 0 0 35 -3,-0.6 3,-1.5 -4,-0.2 -1,-0.3 0.156 83.1 111.9-112.2 18.5 -33.1 69.8 8.0 58 96 A D T < S+ 0 0 120 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 -0.034 86.1 45.7 -78.2 33.0 -32.4 73.3 9.2 59 97 A E T 3 S+ 0 0 184 -2,-0.3 -1,-0.3 3,-0.1 -2,-0.1 -0.018 80.3 111.6-159.2 27.7 -36.0 73.4 10.4 60 98 A F S < S- 0 0 25 -3,-1.5 -2,-0.1 2,-0.2 3,-0.1 0.833 73.4-132.1 -83.1 -36.9 -36.1 70.0 12.0 61 99 A G S S+ 0 0 73 1,-0.3 2,-0.3 -4,-0.3 -3,-0.1 0.510 77.7 68.9 94.8 5.2 -36.5 71.0 15.7 62 100 A H S S- 0 0 80 -5,-0.3 2,-0.4 18,-0.0 -1,-0.3 -0.965 85.5-105.8-145.9 159.8 -33.7 68.7 16.9 63 101 A S - 0 0 97 -2,-0.3 2,-0.8 -3,-0.1 18,-0.5 -0.767 38.7-131.8 -84.5 138.2 -29.9 68.3 16.7 64 102 A I E -E 80 0C 55 -2,-0.4 16,-0.2 1,-0.2 3,-0.1 -0.807 25.0-179.2-101.7 105.1 -29.1 65.4 14.3 65 103 A N E - 0 0 85 14,-1.5 2,-0.3 -2,-0.8 15,-0.2 0.887 66.7 -11.1 -69.1 -44.1 -26.6 63.0 15.7 66 104 A D E -E 79 0C 67 13,-1.3 13,-2.6 2,-0.0 2,-0.3 -0.964 59.5-153.7-150.9 163.5 -26.3 60.6 12.8 67 105 A Y E -E 78 0C 43 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.968 2.0-164.6-138.5 156.5 -28.0 59.8 9.5 68 106 A S E -E 77 0C 43 9,-2.0 9,-4.1 -2,-0.3 2,-0.5 -0.969 11.5-148.5-142.4 126.0 -28.5 56.7 7.2 69 107 A I E -E 76 0C 20 -2,-0.3 7,-0.2 7,-0.3 50,-0.1 -0.808 28.2-111.1 -95.1 132.3 -29.7 56.8 3.6 70 108 A S > - 0 0 3 5,-3.2 3,-2.4 -2,-0.5 54,-0.1 -0.258 32.5-109.6 -54.1 145.1 -31.6 53.8 2.3 71 109 A P T 3 S+ 0 0 56 0, 0.0 53,-0.1 0, 0.0 52,-0.1 0.490 118.5 50.2 -57.5 -6.4 -29.7 51.7 -0.3 72 110 A D T 3 S- 0 0 51 51,-0.8 52,-0.1 3,-0.1 -2,-0.1 0.206 108.6-120.1-119.5 9.0 -32.0 53.0 -3.0 73 111 A G S < S+ 0 0 24 -3,-2.4 51,-0.1 2,-0.2 3,-0.0 0.429 85.3 108.4 74.3 -1.3 -31.9 56.7 -2.2 74 112 A Q S S+ 0 0 70 49,-0.2 25,-3.1 1,-0.1 26,-0.6 0.808 77.3 32.2 -80.5 -29.5 -35.6 57.0 -1.5 75 113 A F E - F 0 98C 12 23,-0.2 -5,-3.2 24,-0.1 2,-0.4 -0.945 58.5-155.2-134.2 148.8 -35.4 57.4 2.3 76 114 A I E -EF 69 97C 2 21,-2.1 21,-2.4 -2,-0.3 2,-0.5 -0.987 14.5-143.7-123.6 128.8 -33.2 58.9 4.9 77 115 A L E -EF 68 96C 9 -9,-4.1 -9,-2.0 -2,-0.4 2,-0.6 -0.791 15.4-154.9 -90.4 127.9 -33.1 57.8 8.5 78 116 A L E -EF 67 95C 1 17,-3.1 17,-1.9 -2,-0.5 2,-0.6 -0.907 3.1-159.7-112.3 114.6 -32.6 60.6 11.0 79 117 A E E +EF 66 94C 20 -13,-2.6 -14,-1.5 -2,-0.6 -13,-1.3 -0.808 24.6 152.8 -97.5 118.5 -31.0 59.8 14.4 80 118 A Y E +EF 64 93C 14 13,-2.0 13,-3.3 -2,-0.6 -16,-0.1 -0.869 49.2 40.7-135.5 171.1 -31.6 62.4 17.2 81 119 A N E S- 0 0 96 -18,-0.5 2,-0.2 -2,-0.3 32,-0.1 0.866 76.7-175.7 57.5 39.6 -31.8 62.4 21.0 82 120 A Y E - 0 0 83 10,-0.2 2,-0.4 -3,-0.1 10,-0.2 -0.457 13.9-173.7 -74.2 136.1 -28.9 59.9 21.2 83 121 A V E - F 0 91C 88 8,-2.7 8,-2.0 -2,-0.2 -1,-0.0 -0.968 19.3-132.1-132.9 117.7 -27.8 58.6 24.6 84 122 A K E + F 0 90C 100 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.210 29.9 163.6 -71.3 154.9 -24.6 56.4 24.9 85 123 A Q - 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0 0 34 0, 0.0 3,-0.6 0, 0.0 -19,-0.1 -0.081 29.2 -98.4 -60.0 157.4 -40.6 54.5 18.8 112 150 A N T 3 S+ 0 0 89 1,-0.2 -19,-0.2 -19,-0.1 3,-0.1 -0.255 107.1 38.0 -64.7 164.6 -38.4 56.6 21.1 113 151 A N T 3 S+ 0 0 103 1,-0.2 18,-0.5 -21,-0.2 2,-0.2 0.772 79.6 170.0 59.8 26.9 -35.7 54.7 23.1 114 152 A T E < -HI 92 130D 0 -22,-1.8 -22,-1.6 -3,-0.6 16,-0.2 -0.532 25.1-155.5 -70.0 136.6 -35.0 52.5 20.1 115 153 A Q E - 0 0 21 14,-3.0 -25,-0.5 1,-0.3 2,-0.3 0.714 66.4 -4.6 -92.4 -26.1 -31.9 50.5 20.6 116 154 A W E - I 0 129D 62 13,-1.1 13,-2.8 -27,-0.1 2,-0.3 -0.930 54.4-170.3-167.7 144.8 -30.8 49.8 17.0 117 155 A V E + I 0 128D 17 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.998 8.8 176.1-139.6 138.3 -32.0 50.3 13.4 118 156 A T E - I 0 127D 41 9,-2.5 9,-1.9 -2,-0.3 2,-0.0 -0.985 23.7-131.1-145.4 134.4 -30.7 49.0 10.1 119 157 A W E - I 0 126D 17 -2,-0.3 7,-0.2 7,-0.2 59,-0.2 -0.336 36.9-102.1 -67.2 157.2 -31.7 49.2 6.5 120 158 A S - 0 0 2 5,-1.7 -1,-0.1 2,-0.1 61,-0.1 -0.438 39.0-109.3 -68.2 158.7 -32.0 46.0 4.4 121 159 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 60,-0.1 0.859 104.3 29.1 -68.8 -33.0 -28.9 45.8 2.1 122 160 A V S > S+ 0 0 77 -50,-0.0 3,-0.6 -52,-0.0 2,-0.3 -0.874 120.6 0.5-114.1 158.3 -31.0 46.6 -1.0 123 161 A G T 3 S- 0 0 28 -2,-0.3 -51,-0.8 1,-0.2 -49,-0.2 -0.509 100.3 -65.4 77.9-130.9 -34.2 48.7 -1.1 124 162 A H T 3 S+ 0 0 22 -2,-0.3 -1,-0.2 14,-0.2 2,-0.1 0.058 70.7 142.6-158.2 33.2 -35.6 50.3 2.0 125 163 A K < - 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