==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-DEC-11 3V7T . COMPND 2 MOLECULE: TPSB2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHANG,C.COLONNA,N.MICHOT . 968 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 70 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 20 13 7 19 4 6 3 0 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 . 0 0 0 0 0 4 0 4 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 16 A I 0 0 0 0, 0.0 2,-0.5 0, 0.0 188,-0.2 0.000 360.0 360.0 360.0 120.8 38.9 -26.5 -7.7 2 17 A V B -A 188 0A 9 186,-3.2 186,-1.6 144,-0.1 132,-0.1 -0.814 360.0 -17.2 -93.2 126.1 38.6 -24.9 -11.2 3 18 A G S S+ 0 0 31 130,-0.5 184,-0.1 -2,-0.5 144,-0.1 -0.315 96.3 84.5 75.6-160.4 37.5 -27.4 -13.9 4 19 A G S S- 0 0 49 182,-0.1 2,-0.2 145,-0.1 144,-0.2 -0.370 74.1 -93.6 68.5-143.3 37.7 -31.2 -13.5 5 20 A Q E -B 147 0B 127 142,-2.2 142,-2.9 -2,-0.1 2,-0.2 -0.919 43.3 -58.8-158.4 178.6 34.9 -33.1 -11.7 6 21 A E E -B 146 0B 84 -2,-0.2 140,-0.3 140,-0.2 139,-0.1 -0.524 58.3-118.8 -70.5 132.6 33.6 -34.6 -8.4 7 22 A A - 0 0 1 138,-3.4 138,-0.2 -2,-0.2 -1,-0.1 -0.542 26.0-112.8 -75.0 138.3 36.0 -37.1 -6.9 8 23 A P > - 0 0 58 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.346 29.1-110.2 -68.6 154.6 34.9 -40.8 -6.5 9 24 A R T 3 S+ 0 0 147 1,-0.2 -2,-0.1 52,-0.0 52,-0.0 0.777 116.0 52.3 -54.1 -35.5 34.5 -42.1 -2.8 10 25 A S T 3 S+ 0 0 90 97,-0.0 -1,-0.2 3,-0.0 2,-0.1 0.763 94.8 89.5 -73.5 -29.7 37.5 -44.5 -3.1 11 26 A K S < S+ 0 0 97 -3,-0.9 -4,-0.0 1,-0.2 95,-0.0 -0.417 86.7 10.7 -77.1 148.5 39.9 -41.7 -4.4 12 27 A W > + 0 0 7 -2,-0.1 3,-0.8 1,-0.1 -1,-0.2 0.944 59.3 174.8 53.2 67.3 42.2 -39.4 -2.2 13 28 A P T 3 S+ 0 0 8 0, 0.0 48,-0.5 0, 0.0 91,-0.1 0.669 74.7 61.3 -72.6 -15.9 41.9 -41.0 1.3 14 29 A W T 3 S+ 0 0 15 93,-0.2 19,-2.1 95,-0.1 96,-0.1 0.641 75.1 115.4 -81.5 -22.7 44.5 -38.5 2.7 15 30 A Q E < -J 32 0C 0 -3,-0.8 2,-0.3 17,-0.2 17,-0.2 -0.297 44.6-175.5 -56.5 126.6 42.4 -35.3 2.0 16 31 A V E -J 31 0C 0 15,-2.3 15,-1.2 44,-0.1 2,-0.4 -0.909 21.0-134.6-126.5 156.5 41.3 -33.4 5.1 17 32 A S E -JK 30 59C 0 42,-3.1 42,-2.9 -2,-0.3 2,-0.5 -0.924 15.7-143.0-110.1 131.8 39.2 -30.3 5.8 18 33 A L E -JK 29 58C 0 11,-3.0 10,-1.9 -2,-0.4 11,-0.9 -0.854 21.1-157.5 -97.8 127.9 40.4 -27.6 8.3 19 34 A R E -JK 27 57C 0 38,-3.0 38,-1.8 -2,-0.5 2,-0.3 -0.895 11.1-163.5-115.9 141.1 37.6 -26.1 10.4 20 35 A V E -JK 26 56C 61 6,-2.3 6,-1.6 -2,-0.4 2,-0.4 -0.910 28.2-111.8-117.8 141.9 37.2 -22.8 12.3 21 36 A H E +J 25 0C 118 34,-1.5 4,-0.2 -2,-0.3 34,-0.1 -0.650 63.8 108.5 -81.5 126.9 34.6 -22.0 15.0 22 37 A G S S- 0 0 43 2,-0.5 3,-0.1 -2,-0.4 -1,-0.0 -0.506 94.4 -26.4-156.5-131.3 31.9 -19.4 14.2 23 38 A P S S- 0 0 112 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.726 138.9 -4.2 -69.3 -17.0 28.1 -19.9 13.6 24 39 A Y S S- 0 0 59 -4,-0.2 2,-1.8 845,-0.0 -2,-0.5 -0.925 97.7 -77.3-160.4 165.4 29.2 -23.5 12.5 25 40 A W E -J 21 0C 51 -2,-0.3 2,-0.2 -4,-0.2 -4,-0.2 -0.584 62.7-161.1 -76.8 84.3 32.5 -25.3 12.0 26 41 A M E -J 20 0C 76 -2,-1.8 -6,-2.3 -6,-1.6 2,-0.3 -0.520 17.3-120.6 -75.3 134.5 33.3 -23.6 8.7 27 42 A H E +J 19 0C 22 -2,-0.2 -8,-0.2 -8,-0.2 3,-0.1 -0.560 41.0 159.0 -71.7 129.6 35.9 -25.0 6.2 28 43 A F E + 0 0 55 -10,-1.9 2,-0.3 1,-0.4 164,-0.2 0.569 62.1 7.2-123.4 -28.1 38.7 -22.4 5.6 29 44 A a E -J 18 0C 7 -11,-0.9 -11,-3.0 164,-0.1 -1,-0.4 -0.966 63.5-124.9-153.0 163.2 41.5 -24.6 4.2 30 45 A G E +J 17 0C 1 164,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.397 27.1 173.3-100.9-179.8 42.4 -28.1 3.0 31 46 A G E -J 16 0C 0 -15,-1.2 -15,-2.3 -2,-0.1 2,-0.4 -0.970 23.5-117.4-173.3 177.6 45.2 -30.5 4.1 32 47 A S E -JL 15 40C 0 8,-2.2 8,-3.1 -2,-0.3 2,-0.6 -0.999 21.5-123.8-138.4 138.8 46.7 -34.0 3.8 33 48 A L E + L 0 39C 0 -19,-2.1 77,-2.5 -2,-0.4 6,-0.2 -0.717 35.2 164.8 -80.9 114.7 47.2 -36.8 6.3 34 49 A I E S+ 0 0 14 4,-1.9 78,-0.2 -2,-0.6 5,-0.2 0.510 71.6 11.4-107.0 -12.7 51.0 -37.6 6.2 35 50 A H E > S- L 0 38C 51 3,-1.4 3,-2.3 76,-0.1 -1,-0.4 -0.931 87.5-101.6-159.7 145.7 51.0 -39.7 9.5 36 51 A P T 3 S+ 0 0 39 0, 0.0 65,-2.6 0, 0.0 63,-0.1 0.729 127.1 30.1 -47.1 -25.8 48.1 -41.1 11.6 37 52 A Q T 3 S+ 0 0 51 63,-0.3 60,-2.5 61,-0.1 2,-0.4 0.304 113.5 77.9-114.3 5.3 48.7 -38.2 14.1 38 53 A W E < -LM 35 96C 10 -3,-2.3 -4,-1.9 58,-0.2 -3,-1.4 -0.970 51.4-169.4-128.4 134.2 50.0 -35.6 11.6 39 54 A V E -LM 33 95C 0 56,-2.6 56,-2.5 -2,-0.4 2,-0.5 -0.969 14.6-147.4-118.2 126.4 48.3 -33.3 9.0 40 55 A L E +LM 32 94C 0 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.2 -0.833 33.4 149.1 -95.6 128.2 50.3 -31.3 6.4 41 56 A T E - M 0 93C 0 52,-2.6 52,-2.8 -2,-0.5 2,-0.3 -0.792 48.1 -76.0-143.1-177.2 48.8 -27.9 5.4 42 57 A A >> - 0 0 0 -12,-0.4 3,-0.8 50,-0.3 4,-0.7 -0.689 31.9-133.4 -89.2 143.2 49.8 -24.4 4.2 43 58 A A T 34 S+ 0 0 0 -2,-0.3 3,-0.5 1,-0.2 4,-0.4 0.802 103.1 63.3 -64.9 -32.8 51.2 -21.9 6.8 44 59 A H T 34 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.688 96.5 60.4 -66.7 -20.5 48.9 -19.0 5.6 45 60 A a T <4 S+ 0 0 8 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 122.0 21.2 -70.5 -41.9 45.8 -21.1 6.6 46 61 A V S < S- 0 0 0 -4,-0.7 5,-0.3 -3,-0.5 -2,-0.2 0.071 119.2-116.6-118.2 21.0 47.0 -21.2 10.3 47 62 A G - 0 0 13 -4,-0.4 37,-0.1 3,-0.1 3,-0.1 -0.891 32.2-112.6-165.6-168.4 49.3 -18.2 10.4 48 63 A P S S+ 0 0 23 0, 0.0 605,-3.5 0, 0.0 606,-0.5 -0.997 109.7 60.9 -76.2 -9.7 51.5 -16.2 10.6 49 64 A D B S-P 652 0D 47 603,-0.3 603,-0.3 604,-0.1 602,-0.1 -0.528 100.3 -92.0 -83.8 144.4 49.7 -15.0 13.7 50 65 A V - 0 0 86 601,-2.3 2,-0.3 -2,-0.2 -1,-0.1 -0.300 43.2-155.2 -57.1 126.3 49.0 -17.3 16.7 51 66 A K - 0 0 93 -5,-0.3 2,-0.5 26,-0.1 26,-0.1 -0.779 19.9-110.4-105.7 150.8 45.7 -19.2 16.6 52 67 A D > - 0 0 114 -2,-0.3 3,-0.9 1,-0.1 4,-0.0 -0.715 18.5-148.6 -82.4 121.9 43.6 -20.7 19.4 53 68 A L G > S+ 0 0 72 -2,-0.5 3,-1.3 1,-0.2 21,-0.5 0.792 96.5 60.2 -58.6 -34.8 43.7 -24.5 19.4 54 69 A A G 3 S+ 0 0 62 1,-0.2 -1,-0.2 19,-0.1 -2,-0.0 0.760 100.2 55.6 -65.3 -30.0 40.1 -24.7 20.8 55 70 A A G < S+ 0 0 32 -3,-0.9 -34,-1.5 -35,-0.1 2,-0.4 0.267 100.3 77.8 -87.7 9.6 38.8 -22.8 17.7 56 71 A L E < +K 20 0C 6 -3,-1.3 18,-0.5 -36,-0.2 2,-0.3 -0.960 51.8 173.3-126.9 140.7 40.3 -25.4 15.3 57 72 A R E -KN 19 73C 67 -38,-1.8 -38,-3.0 -2,-0.4 2,-0.5 -0.984 23.0-136.3-141.6 149.7 39.2 -28.9 14.2 58 73 A V E -KN 18 72C 0 14,-2.6 14,-2.6 -2,-0.3 2,-0.5 -0.932 13.4-162.3-110.7 126.9 40.3 -31.4 11.6 59 74 A Q E -K 17 0C 0 -42,-2.9 -42,-3.1 -2,-0.5 3,-0.2 -0.961 15.1-142.1-110.0 118.7 37.8 -33.3 9.4 60 75 A L - 0 0 20 -2,-0.5 -44,-0.1 10,-0.5 10,-0.1 -0.007 56.2 -32.8 -68.7 179.4 39.1 -36.5 7.7 61 76 A R + 0 0 11 -48,-0.5 2,-0.4 -45,-0.1 -1,-0.2 -0.066 69.3 175.3 -42.1 120.4 38.1 -37.6 4.1 62 77 A E - 0 0 6 -3,-0.2 3,-0.2 1,-0.1 83,-0.1 -0.998 30.3-153.2-134.2 131.6 34.5 -36.5 3.5 63 78 A Q S S+ 0 0 18 -2,-0.4 82,-2.0 1,-0.3 2,-0.4 0.912 92.8 22.7 -71.2 -43.2 32.5 -36.9 0.1 64 79 A H B >> S-Q 144 0E 32 80,-0.2 3,-1.1 77,-0.0 4,-0.7 -0.995 93.9-115.1-129.2 120.4 30.2 -34.0 0.9 65 80 A L T 34 S+ 0 0 5 78,-2.1 4,-0.0 -2,-0.4 -2,-0.0 -0.181 92.5 7.8 -53.9 145.2 31.3 -31.2 3.4 66 81 A Y T 34 S+ 0 0 16 1,-0.1 3,-0.5 804,-0.1 -1,-0.2 0.129 106.9 91.9 69.0 -14.1 29.3 -30.8 6.7 67 82 A Y T <4 S+ 0 0 62 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.975 95.0 24.1 -73.3 -61.2 27.2 -33.9 6.1 68 83 A Q S < S+ 0 0 125 -4,-0.7 -1,-0.2 2,-0.0 2,-0.2 -0.369 87.1 179.6-103.8 50.3 29.1 -36.8 7.9 69 84 A D + 0 0 64 -3,-0.5 2,-0.1 -2,-0.3 -10,-0.1 -0.361 18.4 162.1 -61.7 121.9 31.0 -34.5 10.4 70 85 A Q - 0 0 123 -2,-0.2 -10,-0.5 -10,-0.1 2,-0.2 -0.690 26.2-160.3-139.5 72.0 33.4 -36.2 12.8 71 86 A L - 0 0 52 -2,-0.1 -12,-0.2 -12,-0.1 -2,-0.0 -0.405 2.9-155.4 -67.1 130.8 35.6 -33.4 14.0 72 87 A L E -N 58 0C 35 -14,-2.6 -14,-2.6 -2,-0.2 -1,-0.0 -0.884 16.7-122.0-108.4 134.4 39.0 -34.2 15.6 73 88 A P E -N 57 0C 56 0, 0.0 25,-1.8 0, 0.0 2,-0.4 -0.323 21.2-124.2 -75.1 160.4 40.8 -31.8 18.0 74 89 A V E -O 97 0C 7 -18,-0.5 23,-0.3 -21,-0.5 3,-0.1 -0.908 19.7-175.1-109.2 129.9 44.3 -30.4 17.5 75 90 A S E S+ 0 0 41 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.873 73.2 14.2 -85.7 -47.2 47.2 -30.8 20.0 76 91 A R E -O 96 0C 114 20,-1.2 20,-2.9 -23,-0.1 2,-0.5 -0.996 53.3-157.4-138.6 143.2 49.9 -28.7 18.2 77 92 A I E -O 95 0C 19 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.978 17.8-174.8-116.7 110.2 50.1 -26.1 15.4 78 93 A I E -O 94 0C 14 16,-3.1 16,-3.2 -2,-0.5 2,-0.4 -0.936 1.3-176.0-114.1 107.3 53.6 -25.9 14.0 79 94 A V E -O 93 0C 10 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.872 38.6 -99.0-103.1 133.8 54.1 -23.1 11.4 80 95 A H > - 0 0 12 12,-1.9 3,-1.8 -2,-0.4 575,-0.1 -0.259 28.7-133.6 -51.3 127.4 57.5 -22.8 9.5 81 96 A P T 3 S+ 0 0 51 0, 0.0 574,-3.0 0, 0.0 577,-0.2 0.733 103.6 58.6 -60.6 -22.8 59.6 -20.1 11.3 82 97 A Q T 3 S+ 0 0 113 572,-0.2 2,-0.3 8,-0.1 572,-0.1 0.482 85.8 110.2 -83.3 -4.1 60.5 -18.5 7.9 83 98 A F < + 0 0 2 -3,-1.8 7,-0.1 7,-0.2 3,-0.1 -0.590 15.8 128.4 -81.5 135.7 56.8 -18.0 7.0 84 99 A Y S S+ 0 0 18 5,-0.5 2,-0.3 1,-0.5 -1,-0.2 0.410 79.1 7.9-140.9 -52.9 55.2 -14.5 6.8 85 100 A T >> - 0 0 20 4,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.957 66.9-121.5-134.4 153.8 53.4 -14.4 3.4 86 101 A A T 34 S+ 0 0 10 -2,-0.3 5,-0.3 1,-0.2 128,-0.1 0.795 113.1 56.7 -61.1 -32.4 52.8 -17.1 0.6 87 102 A Q T 34 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.1 89,-0.1 0.791 106.4 48.1 -71.3 -32.9 54.7 -14.8 -1.9 88 103 A I T <4 S- 0 0 28 -3,-0.5 2,-0.3 1,-0.3 -2,-0.2 0.913 114.2-130.0 -72.2 -43.8 57.9 -14.7 0.3 89 104 A G S < S+ 0 0 4 -4,-1.8 -5,-0.5 87,-0.0 -1,-0.3 -0.811 77.0 102.6 127.0-168.3 57.8 -18.5 0.7 90 105 A A + 0 0 3 -2,-0.3 2,-2.4 1,-0.2 -10,-0.3 0.713 42.9 165.4 56.7 31.0 57.9 -21.2 3.4 91 106 A D + 0 0 1 -5,-0.3 2,-0.3 -49,-0.1 137,-0.2 -0.437 32.4 117.1 -76.4 69.8 54.1 -21.6 3.2 92 107 A I + 0 0 0 -2,-2.4 -12,-1.9 -50,-0.3 2,-0.3 -0.997 36.0 172.6-142.2 136.4 54.1 -25.0 5.1 93 108 A A E -MO 41 79C 0 -52,-2.8 -52,-2.6 -2,-0.3 2,-0.4 -0.981 19.0-143.1-145.1 155.4 52.5 -26.0 8.4 94 109 A L E -MO 40 78C 0 -16,-3.2 -16,-3.1 -2,-0.3 2,-0.5 -0.958 7.1-160.9-122.4 139.3 52.0 -29.1 10.5 95 110 A L E -MO 39 77C 1 -56,-2.5 -56,-2.6 -2,-0.4 2,-0.6 -0.988 8.7-151.6-121.5 122.1 49.0 -30.0 12.7 96 111 A E E -MO 38 76C 36 -20,-2.9 -21,-3.3 -2,-0.5 -20,-1.2 -0.864 16.7-136.8 -95.7 120.9 49.3 -32.6 15.4 97 112 A L E - 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