==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAR-13 4JH0 . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.E.KLEI . 1456 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 963 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 371 25.5 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 . 12 0.8 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 0.1 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 . 140 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 10.1 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 . 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 2 4 4 2 0 2 0 0 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 0 8 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 . 11 10 9 10 9 8 4 7 1 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 . 3 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 S 0 0 88 0, 0.0 2,-2.9 0, 0.0 469,-0.1 0.000 360.0 360.0 360.0 -16.9 83.0 38.5 22.4 2 40 A R + 0 0 219 467,-0.1 2,-0.2 1,-0.1 467,-0.1 -0.214 360.0 87.4 68.6 -51.3 84.5 39.5 25.8 3 41 A K E -a 469 0A 109 -2,-2.9 467,-2.7 465,-0.5 2,-0.2 -0.538 56.3-164.4 -91.1 145.1 81.7 42.1 26.5 4 42 A T E -a 470 0A 33 465,-0.2 2,-0.9 -2,-0.2 467,-0.1 -0.662 40.8 -87.9-109.4 170.8 78.3 41.7 28.1 5 43 A Y - 0 0 4 465,-0.5 527,-0.6 522,-0.2 526,-0.2 -0.763 59.4-156.3 -78.4 106.5 75.2 43.9 28.2 6 44 A T > - 0 0 48 -2,-0.9 4,-1.7 525,-0.1 3,-0.4 -0.332 28.8-111.4 -90.2 163.1 76.1 46.0 31.3 7 45 A L H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 120.7 56.2 -55.9 -40.6 74.0 48.0 33.7 8 46 A T H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 6,-0.3 0.828 101.9 56.3 -63.1 -29.3 75.5 51.1 32.2 9 47 A D H >>S+ 0 0 17 -3,-0.4 4,-1.8 2,-0.2 5,-1.5 0.943 111.8 41.4 -67.9 -46.7 74.3 50.1 28.8 10 48 A Y H <5S+ 0 0 38 -4,-1.7 3,-0.5 2,-0.2 -2,-0.2 0.966 117.7 47.8 -58.0 -56.4 70.7 49.8 29.9 11 49 A L H <5S+ 0 0 22 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.828 123.1 33.1 -55.5 -36.3 71.0 53.0 32.0 12 50 A K H <5S- 0 0 124 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.470 102.5-119.4-107.4 -7.6 72.6 54.9 29.2 13 51 A N T <5 + 0 0 81 -4,-1.8 -3,-0.2 -3,-0.5 -4,-0.1 0.854 48.7 162.7 72.7 33.8 71.0 53.5 26.0 14 52 A T S S- C 0 37B 92 3,-2.2 3,-2.9 -2,-0.6 2,-0.8 -0.872 75.4 -35.5 -98.6 121.2 64.3 62.6 8.7 35 73 A E T 3 S- 0 0 140 -2,-0.6 -2,-0.1 1,-0.3 0, 0.0 -0.602 126.8 -39.9 58.6-107.7 66.8 64.1 11.1 36 74 A N T 3 S+ 0 0 114 -2,-0.8 2,-0.3 2,-0.0 -1,-0.3 0.124 119.1 105.2-129.7 18.3 64.5 66.9 12.1 37 75 A N E < S-C 34 0B 33 -3,-2.9 -3,-2.2 16,-0.1 2,-0.7 -0.765 70.4-128.7 -91.2 143.0 63.1 67.6 8.6 38 76 A I E -CD 33 52B 9 14,-3.3 13,-2.8 -2,-0.3 14,-2.2 -0.845 27.3-166.9 -98.2 119.3 59.6 66.4 7.9 39 77 A L E -CD 32 50B 20 -7,-3.2 -7,-2.0 -2,-0.7 2,-0.4 -0.733 13.1-146.0-100.0 149.8 59.3 64.3 4.8 40 78 A V E -CD 31 49B 17 9,-2.4 9,-1.9 -2,-0.3 2,-0.4 -0.984 19.5-157.8-112.1 132.9 56.2 63.2 2.9 41 79 A F E -CD 30 48B 27 -11,-2.8 -11,-1.5 -2,-0.4 2,-0.5 -0.862 16.6-136.1-111.2 139.6 56.3 59.8 1.3 42 80 A N E > -C 29 0B 28 5,-2.7 4,-1.5 -2,-0.4 -13,-0.2 -0.834 18.4-156.2 -87.2 127.1 54.3 58.3 -1.6 43 81 A A T 4 S+ 0 0 0 -15,-3.1 -1,-0.1 -2,-0.5 -14,-0.1 0.906 84.3 49.7 -76.3 -43.2 53.3 54.8 -0.5 44 82 A E T 4 S+ 0 0 75 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.902 128.9 18.9 -63.2 -42.7 52.8 53.2 -3.9 45 83 A Y T 4 S- 0 0 177 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.579 93.1-132.0-110.8 -15.6 56.1 54.2 -5.5 46 84 A G < + 0 0 19 -4,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.294 54.5 141.7 83.1 -12.8 58.2 55.2 -2.4 47 85 A N - 0 0 100 -6,-0.1 -5,-2.7 1,-0.0 2,-0.3 -0.372 30.3-169.3 -62.0 143.9 59.4 58.5 -3.7 48 86 A S E -D 41 0B 58 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.820 11.8-166.4-126.7 167.6 59.6 61.2 -1.0 49 87 A S E -D 40 0B 73 -9,-1.9 -9,-2.4 -2,-0.3 2,-0.3 -0.987 37.3 -89.9-151.0 153.8 60.1 64.9 -0.8 50 88 A V E +D 39 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.2 -0.501 38.7 176.5 -67.7 124.0 60.9 67.4 2.0 51 89 A F E S+ 0 0 66 -13,-2.8 2,-0.4 -2,-0.3 -12,-0.2 0.865 72.2 9.1 -92.2 -48.6 57.7 68.7 3.4 52 90 A L E S-D 38 0B 16 -14,-2.2 -14,-3.3 3,-0.0 -1,-0.3 -0.979 75.0-138.3-139.3 124.0 59.0 70.9 6.2 53 91 A E > - 0 0 83 -2,-0.4 3,-2.2 -16,-0.2 4,-0.2 -0.615 16.2-129.6 -85.0 137.0 62.7 71.8 6.6 54 92 A N G > S+ 0 0 71 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.885 106.5 64.2 -48.0 -43.4 64.3 71.9 10.1 55 93 A S G > S+ 0 0 66 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.690 76.9 88.6 -56.0 -21.5 65.7 75.4 9.5 56 94 A T G < S+ 0 0 38 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.697 98.2 32.4 -55.9 -19.0 62.1 76.8 9.2 57 95 A F G X S+ 0 0 36 -3,-1.6 3,-2.0 -4,-0.2 4,-0.5 0.169 73.9 114.9-128.3 19.9 62.1 77.4 13.0 58 96 A D T < S+ 0 0 117 -3,-1.7 3,-0.2 1,-0.3 -2,-0.1 0.753 90.7 44.3 -58.1 -22.2 65.6 78.2 14.0 59 97 A E T 3 S+ 0 0 184 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.276 82.0 102.5-107.2 8.6 64.2 81.7 14.8 60 98 A F S < S- 0 0 31 -3,-2.0 -1,-0.1 1,-0.1 -2,-0.1 0.916 75.6-141.7 -58.4 -46.3 61.0 80.4 16.6 61 99 A G S S+ 0 0 73 -4,-0.5 2,-0.3 1,-0.2 -1,-0.1 -0.234 70.0 72.3 112.8 -44.6 62.5 81.2 20.0 62 100 A H S S- 0 0 89 18,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.798 88.1-107.1-105.2 148.5 61.2 78.2 21.9 63 101 A S - 0 0 114 -2,-0.3 18,-0.5 -3,-0.1 2,-0.3 -0.603 41.9-126.5 -68.1 124.7 62.2 74.5 21.7 64 102 A I - 0 0 56 -2,-0.4 16,-0.2 1,-0.1 3,-0.1 -0.630 23.1-170.2 -86.0 134.2 59.4 72.8 19.9 65 103 A N - 0 0 79 14,-3.2 2,-0.3 -2,-0.3 15,-0.2 0.805 63.8 -24.1 -95.1 -35.8 58.0 69.7 21.7 66 104 A D E -E 79 0C 62 13,-1.1 13,-2.8 2,-0.0 -1,-0.3 -0.956 56.3-139.2-168.7 168.0 55.7 68.3 19.0 67 105 A Y E -E 78 0C 22 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.970 6.2-161.9-137.9 151.3 53.8 69.3 15.9 68 106 A S E -E 77 0C 47 9,-2.2 9,-3.8 -2,-0.3 2,-0.4 -0.995 11.4-149.0-136.9 136.3 50.4 68.5 14.4 69 107 A I E -E 76 0C 27 -2,-0.4 7,-0.2 7,-0.2 50,-0.1 -0.824 20.1-113.4-110.2 142.0 49.3 69.0 10.9 70 108 A S > - 0 0 5 5,-1.8 3,-2.4 -2,-0.4 54,-0.1 -0.298 28.8-113.1 -68.9 151.4 45.8 69.8 9.6 71 109 A P T 3 S+ 0 0 56 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 0.791 120.6 43.7 -52.7 -32.5 44.0 67.2 7.4 72 110 A D T 3 S- 0 0 60 51,-0.9 52,-0.1 3,-0.0 -2,-0.1 0.147 107.2-128.0-103.4 15.4 44.3 69.6 4.4 73 111 A G S < S+ 0 0 27 -3,-2.4 51,-0.1 50,-0.2 26,-0.0 0.506 75.3 118.3 58.3 6.4 47.9 70.5 5.1 74 112 A Q S S+ 0 0 62 25,-0.1 25,-3.3 49,-0.1 26,-0.6 0.870 76.4 27.0 -69.8 -35.2 47.3 74.2 5.0 75 113 A F E - F 0 98C 13 23,-0.2 -5,-1.8 24,-0.2 2,-0.4 -0.787 63.4-149.1-128.0 164.7 48.4 74.8 8.7 76 114 A I E -EF 69 97C 3 21,-1.1 21,-1.0 -2,-0.3 2,-0.5 -0.977 11.3-140.9-143.5 132.1 50.6 73.3 11.4 77 115 A L E -EF 68 96C 9 -9,-3.8 -9,-2.2 -2,-0.4 2,-0.5 -0.747 14.3-161.6 -92.1 123.9 50.3 73.2 15.1 78 116 A L E -EF 67 95C 6 17,-3.8 17,-1.8 -2,-0.5 2,-0.6 -0.922 4.6-156.0-110.8 122.6 53.5 73.7 17.2 79 117 A E E +EF 66 94C 12 -13,-2.8 -14,-3.2 -2,-0.5 -13,-1.1 -0.849 24.2 155.8-103.3 118.6 53.5 72.6 20.8 80 118 A Y E + F 0 93C 12 13,-1.7 13,-3.8 -2,-0.6 3,-0.1 -0.926 48.8 45.6-138.8 166.8 55.9 74.2 23.3 81 119 A N E S- 0 0 87 -18,-0.5 2,-0.4 -2,-0.3 -1,-0.1 0.857 75.2-171.4 64.8 39.4 56.3 74.8 27.0 82 120 A Y E - 0 0 90 -3,-0.2 2,-0.5 10,-0.1 10,-0.2 -0.489 11.0-177.5 -67.3 119.5 55.1 71.2 27.6 83 121 A V E - F 0 91C 91 8,-2.5 8,-1.9 -2,-0.4 2,-0.2 -0.962 18.9-138.8-121.8 114.8 54.5 70.5 31.3 84 122 A K E + F 0 90C 98 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.453 25.8 170.2 -74.4 136.5 53.5 66.9 32.1 85 123 A Q - 0 0 86 4,-2.4 5,-0.2 1,-0.3 -1,-0.1 0.599 59.3 -13.3-103.4 -94.1 50.7 66.3 34.6 86 124 A W S S- 0 0 33 585,-0.0 -1,-0.3 586,-0.0 87,-0.1 0.054 98.7 -59.7 -95.2-153.7 49.5 62.7 34.9 87 125 A R S S+ 0 0 139 1,-0.2 86,-0.1 -3,-0.1 -3,-0.0 0.731 133.1 3.2 -67.7 -23.7 50.1 59.7 32.6 88 126 A H S S+ 0 0 63 84,-0.1 85,-0.2 85,-0.0 -1,-0.2 0.565 110.8 91.5-127.3 -32.2 48.5 61.5 29.6 89 127 A S + 0 0 0 83,-0.1 -4,-2.4 -5,-0.1 2,-0.3 -0.241 41.4 141.5 -75.2 160.4 47.5 65.0 30.7 90 128 A Y E -F 84 0C 40 25,-0.4 2,-0.3 -6,-0.3 -6,-0.2 -0.917 38.0-123.2 178.4 158.4 49.7 68.1 30.3 91 129 A T E +F 83 0C 39 -8,-1.9 -8,-2.5 -2,-0.3 2,-0.3 -0.825 32.9 163.7-116.8 163.2 49.5 71.8 29.5 92 130 A A E -H 114 0D 1 22,-1.6 22,-1.9 -2,-0.3 2,-0.2 -0.986 35.4-106.7-167.7 162.9 51.3 73.7 26.8 93 131 A S E -F 80 0C 5 -13,-3.8 -13,-1.7 -2,-0.3 2,-0.4 -0.639 37.8-150.6 -95.7 162.1 51.6 76.8 24.7 94 132 A Y E -F 79 0C 10 16,-0.4 2,-0.4 -2,-0.2 16,-0.2 -0.997 20.2-178.3-144.3 139.0 50.7 76.7 21.0 95 133 A D E -F 78 0C 13 -17,-1.8 -17,-3.8 -2,-0.4 2,-0.3 -0.993 13.3-154.6-127.0 140.9 51.4 78.3 17.7 96 134 A I E -F 77 0C 7 -2,-0.4 9,-1.4 9,-0.3 2,-0.4 -0.809 12.0-155.4-106.8 155.2 49.8 77.6 14.3 97 135 A Y E -FG 76 104C 21 -21,-1.0 -21,-1.1 -2,-0.3 2,-0.3 -0.982 14.4-128.4-139.9 121.7 51.8 78.3 11.1 98 136 A D E > -FG 75 103C 15 5,-2.2 5,-1.2 -2,-0.4 -23,-0.2 -0.557 20.1-171.8 -74.9 127.9 50.3 79.0 7.7 99 137 A L T 5S+ 0 0 39 -25,-3.3 -24,-0.2 -2,-0.3 -1,-0.1 0.761 80.5 58.9 -94.2 -31.0 51.9 76.7 5.1 100 138 A N T 5S+ 0 0 116 -26,-0.6 2,-0.2 3,-0.1 -1,-0.1 0.905 121.4 33.8 -66.2 -39.0 50.5 78.2 1.8 101 139 A K T 5S- 0 0 104 -27,-0.2 2,-0.1 2,-0.1 -4,-0.0 -0.544 94.0-124.5 -90.2 172.5 52.3 81.3 3.0 102 140 A R T 5S+ 0 0 189 -2,-0.2 2,-0.3 2,-0.1 -3,-0.2 -0.455 72.0 118.6-111.2 58.7 55.5 80.9 5.0 103 141 A Q E < -G 98 0C 112 -5,-1.2 -5,-2.2 -2,-0.1 2,-0.4 -0.937 62.2-126.3-134.1 144.2 54.1 82.9 7.9 104 142 A L E -G 97 0C 87 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.774 33.5-114.5 -93.6 130.7 53.3 82.4 11.6 105 143 A I + 0 0 23 -9,-1.4 -9,-0.3 -2,-0.4 -1,-0.0 -0.430 38.4 169.2 -66.5 124.7 49.8 83.2 12.8 106 144 A T + 0 0 90 -2,-0.2 3,-0.4 -11,-0.1 2,-0.3 0.595 48.1 85.6-113.5 -17.5 49.8 86.2 15.3 107 145 A E S S- 0 0 112 1,-0.2 35,-0.1 36,-0.0 -2,-0.0 -0.664 102.4 -4.8 -86.8 141.3 46.1 87.1 15.6 108 146 A E S S- 0 0 100 -2,-0.3 -1,-0.2 1,-0.1 34,-0.1 0.871 86.2-165.9 52.1 50.4 43.8 85.3 18.2 109 147 A R - 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