==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-13 4KXH . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PICA,A.MERLINO,L.MAZZARELLA,F.SICA . 480 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 4 0.8 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 . 0 0.0 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 . 46 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 0 4 0 0 4 4 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 . 4 0 8 0 4 0 4 4 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 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 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 1 A K 0 0 256 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.3 13.9 56.4 25.1 2 2 A E - 0 0 89 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.881 360.0-137.5 -98.5 122.1 13.1 53.5 27.5 3 3 A S > - 0 0 57 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.365 18.8-115.6 -71.7 156.9 11.6 50.6 25.7 4 4 A R H > S+ 0 0 157 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.861 117.5 51.2 -56.1 -36.0 8.6 48.7 27.2 5 5 A A H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.858 109.4 47.8 -71.1 -39.1 10.8 45.7 27.5 6 6 A K H > S+ 0 0 114 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.840 109.6 54.3 -68.9 -35.7 13.6 47.5 29.3 7 7 A K H X S+ 0 0 92 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.857 105.7 52.7 -68.8 -34.7 11.2 49.0 31.7 8 8 A F H X S+ 0 0 5 -4,-1.5 4,-2.8 -5,-0.2 5,-0.4 0.924 110.4 48.6 -67.2 -38.2 9.9 45.6 32.5 9 9 A Q H X S+ 0 0 40 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.948 113.5 46.4 -61.5 -48.5 13.4 44.5 33.3 10 10 A R H < S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.888 121.2 37.0 -62.8 -40.8 14.0 47.6 35.4 11 11 A Q H < S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.804 131.7 17.7 -86.5 -29.6 10.7 47.2 37.3 12 12 A H H < S+ 0 0 15 -4,-2.8 151,-3.7 -5,-0.2 2,-0.5 0.474 98.7 87.9-127.4 0.9 10.3 43.5 37.7 13 13 A M B < +a 163 0A 9 -4,-1.8 151,-0.2 -5,-0.4 2,-0.1 -0.884 27.8 155.3-108.8 129.7 13.5 41.6 37.2 14 14 A D > + 0 0 7 149,-2.6 3,-0.7 -2,-0.5 4,-0.1 -0.543 7.6 155.0-142.9 81.5 16.1 40.8 39.8 15 15 A S G > + 0 0 29 1,-0.2 3,-2.1 149,-0.2 4,-0.1 0.554 55.5 92.5 -77.9 -8.2 18.1 37.8 38.7 16 21 A S G > + 0 0 56 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.620 61.4 82.6 -64.7 -15.0 21.1 39.0 40.8 17 22 A S G X S+ 0 0 32 -3,-0.7 3,-1.9 1,-0.3 4,-0.3 0.791 73.5 78.5 -62.8 -19.4 19.8 36.9 43.7 18 23 A S G < S+ 0 0 31 -3,-2.1 4,-0.3 1,-0.3 3,-0.3 0.824 86.7 58.5 -55.2 -27.4 21.6 34.2 41.9 19 24 A T G <> S+ 0 0 19 -3,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.498 80.1 95.9 -80.9 -0.6 24.9 35.6 43.3 20 25 A Y H <> S+ 0 0 33 -3,-1.9 4,-2.8 1,-0.2 5,-0.3 0.916 79.7 45.8 -64.3 -52.0 23.8 35.2 47.0 21 26 A a H > S+ 0 0 0 -3,-0.3 4,-3.2 -4,-0.3 5,-0.5 0.933 110.2 53.0 -60.4 -48.1 25.3 31.9 48.0 22 27 A N H > S+ 0 0 10 70,-0.3 4,-1.0 -4,-0.3 -1,-0.2 0.905 115.9 42.9 -53.6 -38.5 28.8 32.6 46.5 23 28 A Q H X S+ 0 0 46 -4,-1.6 4,-2.7 -3,-0.2 -1,-0.2 0.937 119.4 39.6 -72.7 -49.4 28.8 35.8 48.5 24 29 A M H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 6,-0.3 0.852 108.7 57.8 -78.6 -34.7 27.5 34.6 51.7 25 30 A M H <>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.3 6,-0.4 0.929 115.8 40.3 -60.3 -41.3 29.2 31.3 52.0 26 31 A R H ><5S+ 0 0 157 -4,-1.0 3,-2.1 -5,-0.5 5,-0.3 0.963 114.5 49.9 -66.8 -53.6 32.4 33.2 51.7 27 32 A R H 3<5S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.876 111.7 49.3 -57.6 -38.6 31.5 36.2 54.0 28 33 A R T 3<5S- 0 0 53 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.133 117.3-111.7 -90.0 17.7 30.3 33.9 56.7 29 34 A N T X 5S+ 0 0 89 -3,-2.1 3,-0.7 1,-0.1 -3,-0.2 0.648 78.2 128.5 64.2 24.1 33.5 31.8 56.6 30 35 A M T 3 > - 0 0 66 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.426 43.0-123.1 -58.7 138.8 13.8 37.4 62.3 46 51 A L H >> S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.891 112.2 56.6 -45.5 -48.8 16.1 35.7 64.7 47 52 A V H 3> S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.864 102.8 53.7 -53.8 -42.4 13.3 35.7 67.3 48 53 A D H <4 S+ 0 0 68 -3,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.845 111.7 45.3 -65.0 -33.3 10.9 33.8 65.0 49 54 A V H X< S+ 0 0 0 -4,-1.3 3,-1.1 -3,-0.6 4,-0.4 0.849 109.0 55.3 -79.3 -36.8 13.5 31.1 64.5 50 55 A Q H >< S+ 0 0 56 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.853 99.9 61.5 -63.4 -35.3 14.3 30.9 68.2 51 56 A N G >< S+ 0 0 82 -4,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.651 84.8 77.3 -64.8 -17.0 10.6 30.3 68.9 52 57 A V G X S+ 0 0 0 -3,-1.1 3,-2.7 1,-0.3 -1,-0.3 0.852 78.0 72.0 -66.1 -30.1 10.7 27.1 66.9 53 58 A c G < S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.601 102.1 45.2 -57.1 -11.8 12.5 25.5 69.9 54 59 A F G < S+ 0 0 149 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.132 102.7 81.0-118.4 18.6 9.1 25.7 71.5 55 60 A Q S < S- 0 0 48 -3,-2.7 2,-0.4 1,-0.2 15,-0.1 -0.138 99.0 -21.7-105.6-156.5 7.0 24.5 68.6 56 61 A E E -G 69 0C 111 13,-0.8 13,-2.9 12,-0.1 -1,-0.2 -0.309 63.8-142.2 -63.8 107.9 6.4 20.9 67.4 57 62 A K E +G 68 0C 112 -2,-0.4 11,-0.3 11,-0.2 2,-0.3 -0.425 30.6 166.8 -60.7 139.9 9.1 18.5 68.7 58 63 A V E -G 67 0C 38 9,-2.5 9,-1.1 -2,-0.1 2,-0.3 -0.899 41.1 -78.0-146.9 174.3 10.2 15.9 66.2 59 64 A T - 0 0 114 -2,-0.3 7,-0.1 7,-0.1 5,-0.1 -0.625 47.4-118.0 -79.9 135.5 12.9 13.3 65.7 60 65 A d > - 0 0 5 5,-0.5 3,-2.6 -2,-0.3 -1,-0.1 -0.350 32.1-103.8 -66.4 152.9 16.2 14.6 64.4 61 66 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.869 123.4 36.7 -41.0 -51.9 17.3 13.3 61.0 62 67 A N T 3 S- 0 0 110 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.171 115.3-110.8 -92.1 13.2 19.9 11.0 62.7 63 68 A G S < S+ 0 0 47 -3,-2.6 2,-0.4 1,-0.2 -2,-0.1 0.424 81.5 120.4 73.3 0.3 17.7 10.2 65.7 64 69 A Q - 0 0 138 -5,-0.1 -2,-0.2 2,-0.0 -1,-0.2 -0.808 62.3 -11.2-104.1 137.0 20.1 12.1 68.0 65 70 A G S S- 0 0 61 -2,-0.4 2,-0.6 -3,-0.1 -5,-0.5 -0.196 92.7 -48.9 77.8-168.8 19.3 15.2 70.2 66 71 A N - 0 0 70 39,-0.4 39,-2.1 -7,-0.1 2,-0.3 -0.918 55.4-179.8-117.5 115.8 16.1 17.4 70.3 67 72 A d E -GH 58 104C 0 -9,-1.1 -9,-2.5 -2,-0.6 2,-0.4 -0.762 7.9-163.6-118.6 155.6 14.6 18.8 67.2 68 73 A Y E -GH 57 103C 22 35,-2.4 35,-2.1 -2,-0.3 2,-0.4 -0.997 10.9-139.1-144.6 142.8 11.7 21.0 66.4 69 74 A K E -GH 56 102C 55 -13,-2.9 -13,-0.8 -2,-0.4 33,-0.2 -0.843 26.3-113.1-110.1 137.1 9.7 21.9 63.4 70 75 A S - 0 0 2 31,-2.3 -21,-0.1 -2,-0.4 -18,-0.0 -0.315 11.3-143.7 -66.7 139.1 8.4 25.3 62.5 71 76 A N S S+ 0 0 104 29,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.947 89.1 44.4 -64.0 -49.5 4.6 25.9 62.6 72 77 A S S S- 0 0 83 27,-0.0 29,-0.4 1,-0.0 2,-0.3 -0.562 92.6-111.7 -93.6 156.9 4.9 28.2 59.6 73 78 A S - 0 0 60 -2,-0.2 27,-0.3 27,-0.2 2,-0.3 -0.670 40.8-153.7 -82.9 149.3 6.9 27.7 56.4 74 79 A M E - F 0 99B 13 25,-3.6 25,-2.0 -2,-0.3 2,-0.5 -0.847 20.4 -98.9-127.0 158.1 9.7 30.2 56.3 75 80 A H E + F 0 98B 14 -32,-0.4 -32,-2.9 -2,-0.3 2,-0.3 -0.676 54.2 160.1 -79.0 124.6 11.8 31.8 53.6 76 81 A I E -DF 42 97B 0 21,-2.2 21,-2.0 -2,-0.5 2,-0.4 -0.885 32.8-139.6-131.8 172.2 15.1 30.1 53.2 77 82 A T E -DF 41 96B 7 -36,-2.4 -36,-2.5 -2,-0.3 2,-0.5 -0.981 11.2-152.8-134.6 122.2 18.0 29.6 50.7 78 83 A D E -DF 40 95B 33 17,-2.3 17,-2.7 -2,-0.4 2,-0.5 -0.820 9.5-159.5 -88.1 128.4 19.7 26.3 50.0 79 84 A a E -DF 39 94B 2 -40,-3.0 -40,-1.8 -2,-0.5 2,-0.4 -0.948 8.8-174.4-106.5 128.6 23.3 26.6 48.8 80 85 A R E -DF 38 93B 109 13,-1.8 13,-2.7 -2,-0.5 -42,-0.2 -0.993 25.5-123.6-125.2 127.1 24.8 23.7 46.9 81 86 A L E - F 0 92B 33 -44,-2.5 11,-0.3 -2,-0.4 2,-0.1 -0.431 33.5-113.3 -62.4 137.9 28.4 23.5 45.9 82 87 A T > - 0 0 13 9,-2.3 3,-1.1 1,-0.1 9,-0.2 -0.432 19.7-119.4 -71.3 152.5 28.8 22.9 42.1 83 88 A N T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.860 113.2 55.4 -60.6 -34.1 30.3 19.6 41.0 84 89 A G T 3 S+ 0 0 40 2,-0.0 -1,-0.3 6,-0.0 -3,-0.0 0.714 82.6 109.8 -70.4 -22.5 33.1 21.4 39.3 85 90 A S < + 0 0 11 -3,-1.1 2,-0.3 6,-0.2 5,-0.2 -0.239 41.3 179.4 -63.0 141.6 34.2 23.4 42.4 86 91 A R B > -J 89 0D 167 3,-1.1 3,-3.0 -52,-0.0 -52,-0.0 -0.975 41.0 -71.1-140.4 124.9 37.6 22.5 44.1 87 92 A Y T 3 S+ 0 0 118 1,-0.4 -55,-0.0 -2,-0.3 -52,-0.0 -0.243 122.1 32.1 -50.1 139.0 38.9 24.4 47.2 88 93 A P T 3 S+ 0 0 89 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 -0.923 116.9 65.7 -89.6 18.8 39.9 27.2 47.2 89 94 A N B < +J 86 0D 48 -3,-3.0 -3,-1.1 -54,-0.0 2,-0.7 -0.803 64.6 176.9-108.0 93.9 37.4 27.9 44.4 90 95 A b + 0 0 8 -2,-0.8 2,-0.3 -5,-0.2 -64,-0.1 -0.847 2.8 174.2-106.6 108.6 33.9 27.5 45.8 91 96 A A - 0 0 0 -2,-0.7 -9,-2.3 -9,-0.2 2,-0.4 -0.863 10.8-163.6-113.3 147.3 30.9 28.2 43.6 92 97 A Y E -F 81 0B 3 -2,-0.3 2,-0.4 -11,-0.3 -70,-0.3 -0.969 20.9-131.5-135.8 141.8 27.4 27.6 44.7 93 98 A R E -F 80 0B 94 -13,-2.7 -13,-1.8 -2,-0.4 2,-0.5 -0.822 29.8-140.0 -84.3 136.1 23.9 27.3 43.1 94 99 A T E -F 79 0B 27 -2,-0.4 -15,-0.2 -76,-0.2 -74,-0.0 -0.860 20.7-176.5 -99.9 123.2 21.4 29.4 45.0 95 100 A S E -F 78 0B 49 -17,-2.7 -17,-2.3 -2,-0.5 2,-0.1 -0.815 7.8-162.3-125.8 97.7 18.0 27.9 45.6 96 101 A P E +F 77 0B 32 0, 0.0 2,-0.3 0, 0.0 -19,-0.2 -0.515 23.2 160.4 -69.1 142.9 15.3 30.0 47.3 97 102 A K E -F 76 0B 54 -21,-2.0 -21,-2.2 -2,-0.1 2,-0.5 -0.947 41.5-124.3-151.9 161.8 12.4 28.1 48.7 98 103 A E E +F 75 0B 42 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.991 51.3 145.5-109.5 123.4 9.5 28.3 51.3 99 104 A R E -F 74 0B 53 -25,-2.0 -25,-3.6 -2,-0.5 2,-0.3 -0.988 54.5-103.5-150.2 156.4 9.7 25.4 53.7 100 105 A H E - I 0 119C 45 19,-2.3 19,-1.9 -27,-0.3 2,-0.3 -0.660 45.0-140.6 -74.7 142.9 9.1 24.4 57.3 101 106 A I E - I 0 118C 0 -29,-0.4 -31,-2.3 -2,-0.3 2,-0.5 -0.768 8.5-150.8-108.3 153.1 12.5 24.3 59.0 102 107 A I E +HI 69 117C 16 15,-2.7 14,-2.2 -2,-0.3 15,-1.6 -0.988 21.1 178.4-124.6 119.0 13.7 21.7 61.6 103 108 A V E -HI 68 115C 0 -35,-2.1 -35,-2.4 -2,-0.5 2,-0.4 -0.875 25.7-131.3-120.2 153.5 16.3 22.9 64.1 104 109 A A E -HI 67 114C 12 10,-2.5 9,-3.5 -2,-0.3 10,-1.4 -0.861 29.4-166.8-100.6 139.7 18.0 21.3 67.0 105 110 A c E + I 0 112C 3 -39,-2.1 -39,-0.4 -2,-0.4 2,-0.3 -0.898 16.1 148.1-128.1 155.0 18.0 23.2 70.2 106 111 A E E > + I 0 111C 71 5,-2.0 5,-2.1 -2,-0.3 2,-0.1 -0.965 28.6 55.0-168.4 170.4 19.9 23.1 73.6 107 112 A G T 5S- 0 0 52 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.158 82.0 -49.6 93.6-180.0 21.2 25.1 76.4 108 113 A S T 5S+ 0 0 127 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.926 133.9 38.7-136.8 107.3 19.9 27.6 78.8 109 114 A P T 5S- 0 0 103 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.475 111.0-125.1 -62.2 154.5 18.5 29.7 77.4 110 115 A Y T 5 + 0 0 68 -2,-0.2 -3,-0.2 -5,-0.1 -2,-0.1 -0.669 50.0 154.8 -80.4 114.1 17.1 27.0 75.1 111 116 A V E < -I 106 0C 27 -5,-2.1 -5,-2.0 -2,-0.7 2,-0.2 -0.867 47.8 -77.8-140.9 164.2 18.1 28.1 71.6 112 117 A P E +I 105 0C 5 0, 0.0 -7,-0.3 0, 0.0 17,-0.2 -0.489 44.0 162.1 -67.5 134.8 18.8 26.8 68.0 113 118 A V E + 0 0 12 -9,-3.5 2,-0.3 1,-0.4 -8,-0.2 0.469 60.9 29.3-130.0 -8.9 22.2 25.2 67.6 114 119 A H E -I 104 0C 104 -10,-1.4 -10,-2.5 15,-0.0 2,-0.7 -0.984 65.9-131.2-146.9 144.2 22.0 23.0 64.4 115 120 A F E +I 103 0C 33 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.891 29.1 177.6 -89.3 113.2 20.0 23.2 61.2 116 121 A D E - 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