==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE RECEPTOR 18-JAN-94 1NRQ . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 276 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 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 RESIDUES PER ALPHA HELIX . 1 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 . 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 1AL D > 0 0 102 0, 0.0 3,-1.7 0, 0.0 142,-0.1 0.000 360.0 360.0 360.0 -17.4 109.6 11.7 29.7 2 1 L a T 3 + 0 0 30 1,-0.3 140,-0.2 140,-0.1 141,-0.1 -0.033 360.0 32.3 -46.6 162.3 108.5 14.7 27.7 3 2 L G T 3 S+ 0 0 0 138,-0.9 2,-1.2 232,-0.1 -1,-0.3 0.126 93.7 122.1 64.6 -8.1 111.1 17.0 26.3 4 3 L L < - 0 0 35 -3,-1.7 -1,-0.1 231,-0.1 231,-0.1 -0.518 56.6-151.1 -92.3 82.9 113.1 13.8 25.9 5 4 L R > > - 0 0 2 -2,-1.2 3,-2.4 1,-0.2 5,-1.6 -0.202 4.7-151.0 -53.8 102.4 114.1 13.2 22.3 6 5 L P T 3 5S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 131,-0.1 0.436 92.8 47.5 -57.0 1.1 114.3 9.4 21.9 7 6 L L T 3 5S+ 0 0 44 27,-0.3 28,-0.1 130,-0.1 -2,-0.1 0.276 128.4 15.0-124.3 3.6 117.0 9.7 19.1 8 7 L F T X >S+ 0 0 12 -3,-2.4 5,-4.2 26,-0.1 3,-1.8 0.207 134.9 21.3-135.3 -91.4 119.3 12.2 20.8 9 8 L E G > 5S+ 0 0 31 3,-0.3 3,-1.6 1,-0.3 -5,-0.1 0.923 113.7 68.1 -50.4 -58.3 118.9 12.8 24.5 10 9 L K G 3 - 0 0 7 -2,-0.4 3,-3.2 1,-0.1 4,-0.5 -0.294 30.3 -99.1 -60.1 134.6 122.0 17.4 17.1 16 14AL K T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.541 120.6 28.4 -20.9 -38.2 124.3 19.3 14.7 17 14BL T T >> S+ 0 0 27 1,-0.1 3,-1.9 2,-0.1 4,-0.7 0.490 89.8 94.7-111.7 -7.5 123.0 22.6 16.1 18 14CL E H X> S+ 0 0 18 -3,-3.2 4,-1.4 1,-0.3 3,-1.3 0.869 83.4 57.9 -52.2 -45.4 122.0 22.1 19.7 19 14DL R H 34 S+ 0 0 159 -4,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.504 99.0 57.7 -60.9 -15.9 125.4 23.2 21.0 20 14EL E H <4 S+ 0 0 73 -3,-1.9 3,-0.4 2,-0.2 -1,-0.3 0.597 103.8 56.0 -83.8 -24.3 125.0 26.6 19.3 21 14FL L H << S+ 0 0 23 -3,-1.3 138,-0.4 -4,-0.7 -2,-0.3 0.999 98.2 64.1 -68.0 -56.7 121.9 26.8 21.4 22 14GL L < 0 0 134 -4,-1.4 -1,-0.2 136,-0.1 -2,-0.2 0.307 360.0 360.0 -44.9 -17.9 124.1 26.2 24.5 23 14HL E 0 0 185 -3,-0.4 136,-0.3 -4,-0.1 -3,-0.1 0.100 360.0 360.0-119.6 360.0 126.2 29.5 24.3 24 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 16 H I 0 0 2 0, 0.0 3,-0.3 0, 0.0 192,-0.3 0.000 360.0 360.0 360.0 141.5 111.9 29.0 7.3 26 17 H V B -A 216 0A 9 190,-2.3 190,-1.4 1,-0.2 143,-0.1 -0.336 360.0 -2.1 -63.4 135.3 113.9 32.0 6.0 27 18 H E S S+ 0 0 100 141,-0.5 189,-0.2 188,-0.2 2,-0.2 0.926 103.7 134.8 44.0 83.3 117.6 31.4 6.2 28 19 H G - 0 0 34 -3,-0.3 2,-0.3 187,-0.1 152,-0.2 -0.667 47.6-123.3-140.5-169.0 117.4 27.9 7.7 29 20 H S E -B 179 0B 53 150,-1.2 150,-2.4 -2,-0.2 2,-0.2 -0.970 37.1 -88.5-142.2 156.0 118.8 24.4 7.5 30 21 H D E -B 178 0B 91 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.422 43.1-126.2 -77.5 129.4 117.3 20.9 7.1 31 22 H A - 0 0 12 146,-1.7 2,-0.3 -2,-0.2 -1,-0.1 0.079 19.2-118.8 -59.4 171.5 116.2 19.0 10.1 32 23 H E > - 0 0 45 0, 0.0 3,-1.4 0, 0.0 2,-0.5 -0.882 32.7 -87.0-126.7 151.7 117.1 15.5 11.2 33 24 H I T 3 S+ 0 0 86 -2,-0.3 105,-0.0 1,-0.3 104,-0.0 -0.413 116.1 6.6 -55.2 104.9 115.2 12.3 11.9 34 25 H G T 3 S+ 0 0 7 -2,-0.5 -27,-0.3 104,-0.1 -1,-0.3 0.060 91.0 120.5 107.5 -24.3 114.0 12.5 15.6 35 26 H M S < S+ 0 0 22 -3,-1.4 -2,-0.1 1,-0.3 103,-0.1 0.217 89.9 13.4 -55.4 2.1 115.1 16.1 16.2 36 27 H S > + 0 0 18 -4,-0.1 3,-2.3 102,-0.1 -1,-0.3 -0.038 61.3 171.4 178.8 60.9 111.6 17.2 17.1 37 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.477 75.7 76.0 -60.6 1.9 109.2 14.4 17.6 38 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.3 103,-0.1 2,-0.5 0.321 70.4 104.0 -94.9 -1.0 106.8 17.1 18.8 39 30 H Q E < +C 55 0C 6 -3,-2.3 49,-0.8 99,-0.3 50,-0.4 -0.773 40.3 171.6-101.5 133.4 105.9 18.5 15.3 40 31 H V E -CD 54 87C 0 14,-2.9 14,-3.5 -2,-0.5 2,-0.3 -0.910 27.5-120.1-128.3 151.4 102.6 17.7 13.7 41 32 H M E -CD 53 86C 4 45,-3.3 45,-1.6 -2,-0.3 2,-1.1 -0.749 7.5-137.7-103.9 139.6 101.1 19.2 10.5 42 33 H L E +CD 52 85C 0 10,-5.2 9,-5.8 -2,-0.3 10,-0.9 -0.600 39.9 167.9 -99.5 79.3 97.8 21.2 10.1 43 34 H F E -CD 50 84C 43 -2,-1.1 41,-1.3 41,-0.7 7,-0.3 -0.789 23.2-152.8-101.8 96.7 96.6 19.5 6.9 44 35 H R E > -CD 49 83C 67 -2,-0.8 5,-1.3 5,-0.8 39,-0.2 -0.120 21.8-122.5 -64.0 160.7 93.0 20.1 5.8 45 36 H K E > 5S+C 48 0C 87 37,-1.1 3,-0.6 1,-0.3 38,-0.1 0.742 83.6 43.6 -78.4 -29.5 91.4 17.4 3.6 46 36AH S T 3 5S+ 0 0 89 1,-0.7 -1,-0.3 2,-0.2 2,-0.2 -0.745 108.8 39.7 178.7 129.2 90.5 19.5 0.6 47 37 H P T 3 5S- 0 0 85 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.148 117.9-128.1 -43.1 101.0 91.7 21.5 -1.0 48 38 H Q E < 5 +C 45 0C 146 -3,-0.6 2,-0.3 -2,-0.2 -3,-0.3 -0.259 62.6 132.8 -38.9 96.4 93.5 18.4 0.4 49 39 H E E < -C 44 0C 70 -5,-1.3 -5,-0.8 -2,-0.2 2,-0.6 -0.955 64.8 -98.0-153.5 174.2 96.3 20.5 1.9 50 40 H L E +C 43 0C 40 -7,-0.3 -7,-0.3 -2,-0.3 3,-0.1 -0.847 32.9 166.8 -97.6 120.7 98.7 21.7 4.6 51 41 H L E - 0 0 37 -9,-5.8 2,-0.2 -2,-0.6 -8,-0.2 0.791 58.1 -34.5-102.6 -40.4 97.5 24.8 6.5 52 42 H b E -C 42 0C 2 -10,-0.9 -10,-5.2 171,-0.1 2,-0.3 -0.845 57.6 -90.7-154.5-160.6 99.9 25.0 9.5 53 43 H G E +C 41 0C 1 169,-1.6 12,-0.4 -12,-0.3 2,-0.3 -0.927 29.7 177.6-135.4 152.5 101.9 23.2 12.2 54 44 H A E -C 40 0C 0 -14,-3.5 -14,-2.9 -2,-0.3 2,-0.3 -0.905 19.9-115.4-149.2 175.4 101.5 22.0 15.7 55 45 H S E -CE 39 63C 3 8,-1.4 8,-1.2 -2,-0.3 2,-1.2 -0.922 19.3-126.2-123.7 148.0 102.9 20.2 18.8 56 46 H L + 0 0 2 -18,-1.3 86,-1.1 -2,-0.3 6,-0.2 -0.705 34.9 162.7 -93.3 85.5 102.3 17.1 20.7 57 47 H I S S+ 0 0 25 -2,-1.2 2,-0.3 4,-0.4 5,-0.1 -0.191 70.3 16.5 -93.3 34.4 101.9 18.4 24.3 58 48 H S S S- 0 0 46 3,-0.3 84,-0.0 75,-0.1 -2,-0.0 -0.938 83.0 -99.7-178.7-174.9 100.2 15.0 25.2 59 49 H D S S+ 0 0 77 -2,-0.3 74,-1.6 81,-0.1 -1,-0.0 0.406 129.0 13.2 -98.7 -13.7 99.5 11.4 24.2 60 50 H R S S+ 0 0 18 72,-0.2 2,-0.3 -3,-0.0 69,-0.3 0.058 113.5 82.3-155.8 34.7 96.3 12.8 23.0 61 51 H W - 0 0 80 67,-0.2 -4,-0.4 72,-0.1 2,-0.3 -0.956 43.3-174.3-141.9 155.0 96.4 16.6 22.9 62 52 H V - 0 0 0 -2,-0.3 65,-4.6 -6,-0.2 2,-0.3 -0.971 3.6-168.7-149.9 141.1 97.6 19.2 20.4 63 53 H L E +EF 55 126C 2 -8,-1.2 -8,-1.4 -2,-0.3 63,-0.3 -0.848 16.2 149.0-127.6 160.0 97.9 23.0 20.6 64 54 H T E - F 0 125C 1 61,-3.8 61,-0.8 -2,-0.3 -10,-0.1 -0.969 44.5 -37.3-175.1 176.8 98.6 25.7 18.0 65 55 H A - 0 0 0 -12,-0.4 59,-0.2 -2,-0.3 178,-0.1 0.065 43.8-139.5 -44.6 154.0 98.2 29.2 16.6 66 56 H A S >> S+ 0 0 0 2,-0.2 3,-2.1 54,-0.1 4,-1.2 0.925 99.1 45.7 -85.4 -56.7 94.9 30.9 16.9 67 57 H H G >4 S+ 0 0 4 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.977 96.6 78.2 -52.2 -49.6 94.4 32.6 13.7 68 58 H b G 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.562 111.4 25.1 -35.9 -8.3 95.6 29.4 12.1 69 59 H L G <4 S+ 0 0 4 -3,-2.1 9,-0.9 1,-0.1 -1,-0.3 0.591 127.8 32.9-136.8 -17.1 92.0 28.3 12.9 70 60 H L << + 0 0 43 -3,-1.2 7,-0.2 -4,-1.2 46,-0.1 -0.705 58.7 149.2-151.1 91.9 89.6 31.4 13.1 71 60AH Y > + 0 0 11 5,-0.4 3,-0.8 -2,-0.3 5,-0.4 -0.832 13.4 177.2-130.1 96.3 90.2 34.4 10.9 72 60BH P G > S+ 0 0 48 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.920 75.5 64.3 -57.4 -60.4 87.1 36.3 9.8 73 60CH P G 3 S+ 0 0 75 0, 0.0 2,-0.2 0, 0.0 205,-0.1 0.624 116.6 33.1 -41.7 -21.4 88.7 39.1 7.8 74 60DH W G < S- 0 0 52 -3,-0.8 -3,-0.2 2,-0.1 203,-0.0 -0.684 121.5-109.4-138.3 70.6 90.0 36.4 5.4 75 60EH D < + 0 0 153 -3,-0.8 2,-0.3 -2,-0.2 -5,-0.0 0.344 63.4 141.1 -23.8 107.5 87.0 34.2 5.8 76 60FH K + 0 0 67 -5,-0.4 -5,-0.4 2,-0.0 2,-0.2 -0.978 11.1 141.5-156.6 147.7 88.0 31.1 7.7 77 60GH N - 0 0 114 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.750 22.8-169.2 178.8 133.8 86.8 28.8 10.4 78 60HH F - 0 0 24 -9,-0.9 2,-0.3 -2,-0.2 30,-0.1 -0.528 9.5-151.7-125.3-166.4 87.1 25.1 10.7 79 60IH T >> - 0 0 26 -2,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.922 44.6 -93.8-166.6 150.4 86.0 22.0 12.6 80 61 H E T 34 S+ 0 0 45 1,-0.3 25,-0.3 -2,-0.3 -1,-0.1 0.834 129.0 56.1 -28.8 -47.6 87.4 18.6 13.5 81 62 H N T 34 S+ 0 0 105 1,-0.2 -1,-0.3 23,-0.1 -36,-0.1 0.910 100.3 55.8 -51.2 -60.6 85.5 17.7 10.4 82 63 H D T <4 S+ 0 0 68 -3,-1.1 -37,-1.1 -38,-0.1 -1,-0.2 0.896 112.7 31.0 -36.7 -69.3 87.3 20.1 8.1 83 64 H L E < -D 44 0C 1 -4,-1.0 22,-0.3 -39,-0.2 2,-0.3 -0.493 56.9-154.1-103.3 163.4 90.9 19.0 8.9 84 65 H L E -D 43 0C 53 -41,-1.3 -41,-0.7 20,-0.2 2,-0.3 -0.945 24.2-127.8-134.6 145.9 93.0 16.0 9.8 85 66 H V E -DG 42 103C 0 18,-3.6 18,-2.0 -2,-0.3 2,-0.4 -0.802 16.7-153.0-109.7 148.4 96.3 16.1 11.7 86 67 H R E +DG 41 102C 26 -45,-1.6 -45,-3.3 -2,-0.3 16,-0.2 -0.963 12.4 174.5-139.4 137.0 99.7 14.6 11.0 87 68 H I E +DG 40 101C 3 14,-2.8 14,-3.3 -2,-0.4 -47,-0.2 -0.787 58.4 52.9-125.3 153.5 102.8 13.3 12.8 88 69 H G S S+ 0 0 7 -49,-0.8 2,-1.1 50,-0.4 -1,-0.1 0.310 75.1 173.2 96.5 -0.4 106.2 11.6 12.2 89 70 H K + 0 0 9 -50,-0.4 88,-0.2 1,-0.2 -1,-0.2 -0.233 26.0 135.8 -41.1 65.5 106.6 14.3 9.7 90 71 H H + 0 0 51 -2,-1.1 87,-1.2 1,-0.2 2,-0.4 0.973 69.3 53.4 -80.6 -58.6 110.1 14.4 8.0 91 72 H S B -I 176 0D 18 85,-0.2 85,-0.3 1,-0.1 5,-0.3 -0.621 68.5-152.9 -83.3 129.9 109.1 15.0 4.4 92 73 H R S S+ 0 0 65 83,-1.3 84,-0.2 -2,-0.4 -1,-0.1 0.423 92.2 23.3 -71.0 -14.2 106.7 17.8 3.5 93 74 H T S S+ 0 0 88 82,-0.6 -1,-0.1 0, 0.0 83,-0.1 0.708 104.1 78.2-117.0 -67.9 105.3 16.1 0.5 94 75 H R S S- 0 0 146 81,-0.2 2,-0.4 1,-0.1 0, 0.0 0.714 84.5 -97.8 -29.7-168.5 105.6 12.4 0.6 95 76 H Y - 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