==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 11-MAR-07 2P46 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.TERESHKO,S.UYSAL,A.KOIDE,K.MARGALEF,S.KOIDE,A.A.KOSSIAKOFF . 482 6 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 0 1 1 0 2 2 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 . 2 0 1 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 PARALLEL BRIDGES PER LADDER . 2 4 6 2 5 8 0 2 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 4 0 1 0 0 0 0 0 0 0 0 1 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 2 A E 0 0 157 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.1 12.7 -6.7 63.0 2 3 A T > - 0 0 97 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.309 360.0-104.1 -73.0 165.2 11.5 -4.0 60.6 3 4 A A H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.870 123.2 54.9 -57.5 -36.3 11.4 -0.3 61.7 4 5 A A H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 109.5 45.0 -64.0 -47.0 7.6 -0.6 62.1 5 6 A A H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.872 110.7 54.3 -68.8 -35.0 7.9 -3.7 64.4 6 7 A K H X S+ 0 0 102 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.944 108.4 50.0 -60.3 -46.4 10.7 -1.9 66.4 7 8 A F H X>S+ 0 0 5 -4,-2.2 4,-1.3 107,-0.2 5,-0.5 0.875 111.8 48.5 -56.0 -40.3 8.2 1.0 66.9 8 9 A E H X5S+ 0 0 70 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.934 113.1 46.2 -71.9 -43.3 5.5 -1.4 68.1 9 10 A R H <5S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.886 119.3 42.0 -60.8 -37.0 7.8 -3.2 70.5 10 11 A Q H <5S+ 0 0 38 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.646 133.8 7.3 -94.2 -13.6 9.2 0.1 71.9 11 12 A H H <5S+ 0 0 15 -4,-1.3 33,-3.9 -3,-0.3 2,-0.3 0.550 98.1 93.0-144.6 -17.2 6.0 2.2 72.2 12 13 A M B << +a 44 0A 10 -4,-1.4 33,-0.2 -5,-0.5 2,-0.1 -0.698 27.6 161.4 -92.6 137.5 2.7 0.4 71.5 13 14 A D > + 0 0 6 31,-2.0 3,-1.1 -2,-0.3 34,-0.0 -0.528 4.2 161.8-145.2 83.4 0.5 -1.2 74.2 14 15 A S T 3 + 0 0 63 1,-0.2 31,-0.1 31,-0.2 33,-0.1 0.605 66.0 79.9 -68.9 -13.6 -3.0 -1.7 72.8 15 16 A S T 3 S+ 0 0 104 31,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.604 96.8 43.2 -78.7 -5.1 -3.7 -4.3 75.5 16 17 A T < - 0 0 36 -3,-1.1 -3,-0.1 30,-0.1 3,-0.1 -0.974 63.0-148.1-135.0 150.4 -4.4 -1.4 78.1 17 18 A S S S- 0 0 97 -2,-0.3 2,-0.3 1,-0.3 28,-0.2 0.567 88.4 -9.7 -85.3 -10.0 -6.3 1.9 78.0 18 19 A A S S- 0 0 32 26,-0.1 -1,-0.3 59,-0.0 61,-0.1 -0.918 97.9 -58.9 178.5 152.5 -3.8 3.4 80.5 19 20 A A - 0 0 8 -2,-0.3 79,-0.1 1,-0.1 3,-0.1 -0.146 45.6-151.3 -52.2 137.3 -0.9 2.4 82.9 20 21 A S + 0 0 82 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.443 64.6 0.1-103.4 -3.5 -2.2 -0.1 85.3 21 22 A S S > S- 0 0 52 1,-0.0 3,-2.0 0, 0.0 4,-0.3 -0.970 77.3 -95.2-169.9 166.3 -0.0 0.4 88.4 22 23 A S T 3 S+ 0 0 98 1,-0.3 74,-0.5 -2,-0.3 4,-0.2 0.606 126.3 56.6 -67.6 -5.9 2.9 2.6 89.7 23 24 A N T 3> S+ 0 0 80 1,-0.1 4,-2.7 2,-0.1 -1,-0.3 0.250 72.0 105.0-105.3 10.0 5.0 -0.4 88.5 24 25 A Y H <> S+ 0 0 5 -3,-2.0 4,-1.8 1,-0.2 5,-0.2 0.959 84.4 46.0 -57.1 -47.7 3.8 -0.4 84.8 25 26 A a H > S+ 0 0 0 -4,-0.3 4,-1.7 1,-0.2 5,-0.3 0.817 111.6 50.9 -70.5 -29.4 7.0 1.1 83.6 26 27 A N H > S+ 0 0 30 68,-0.3 4,-0.9 1,-0.2 5,-0.3 0.927 114.9 45.0 -68.2 -38.9 9.1 -1.3 85.8 27 28 A Q H X S+ 0 0 112 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.780 121.1 37.7 -73.4 -27.4 7.1 -4.2 84.3 28 29 A M H X S+ 0 0 38 -4,-1.8 4,-3.3 -5,-0.2 6,-0.3 0.797 107.2 57.7-102.3 -32.6 7.3 -3.0 80.6 29 30 A M H <>S+ 0 0 0 -4,-1.7 5,-2.9 -5,-0.2 6,-0.8 0.942 116.4 39.1 -67.0 -44.2 10.8 -1.5 80.2 30 31 A K H ><5S+ 0 0 125 -4,-0.9 3,-1.8 -5,-0.3 5,-0.3 0.965 117.7 52.5 -59.8 -47.8 12.3 -4.8 81.2 31 32 A S H 3<5S+ 0 0 79 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.2 0.836 110.0 43.9 -67.7 -40.6 9.5 -6.6 79.2 32 33 A R T 3<5S- 0 0 54 -4,-3.3 -1,-0.3 -22,-0.1 -2,-0.1 0.025 119.8-109.1 -91.1 27.8 10.0 -4.8 75.8 33 34 A N T < 5S+ 0 0 126 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.771 81.7 128.1 58.3 34.3 13.8 -5.2 76.3 34 35 A L < 0 0 19 -5,-2.9 4,-1.1 -6,-0.3 -4,-0.2 0.419 360.0 360.0 -97.6 5.6 14.6 -1.5 77.0 35 36 A T 0 0 58 -6,-0.8 -5,-0.1 -5,-0.3 56,-0.1 -0.267 360.0 360.0-142.3 360.0 16.6 -2.5 80.2 36 ! 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 37 40 A b 0 0 51 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 150.9 18.8 2.2 81.4 38 41 A K - 0 0 62 -4,-1.1 3,-0.1 1,-0.2 -4,-0.1 -0.660 360.0-149.5 -67.7 113.2 16.7 3.8 78.7 39 42 A P S S+ 0 0 79 0, 0.0 44,-1.5 0, 0.0 2,-0.3 0.923 71.3 9.9 -57.3 -46.6 16.3 7.2 80.5 40 43 A V E + B 0 82A 62 42,-0.2 2,-0.3 -3,-0.1 42,-0.2 -0.946 66.7 163.8-136.8 145.5 12.9 8.1 79.1 41 44 A N E - B 0 81A 4 40,-1.7 40,-3.1 -2,-0.3 2,-0.4 -0.959 19.8-146.2-161.4 149.5 10.2 6.2 77.1 42 45 A T E - B 0 80A 13 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.950 4.4-162.3-120.5 136.9 6.6 6.4 76.1 43 46 A F E - B 0 79A 0 36,-1.7 36,-2.1 -2,-0.4 2,-0.6 -0.907 17.2-139.3-109.4 143.6 4.0 3.7 75.5 44 47 A V E -aB 12 78A 0 -33,-3.9 -31,-2.0 -2,-0.4 2,-1.5 -0.900 3.6-155.2-110.9 121.7 0.8 4.5 73.6 45 48 A H + 0 0 5 32,-3.0 32,-0.4 -2,-0.6 2,-0.3 -0.508 60.2 96.6 -95.7 67.4 -2.5 3.1 74.9 46 49 A E S S- 0 0 49 -2,-1.5 -33,-0.3 30,-0.1 -30,-0.1 -0.938 82.8 -81.5-142.6 164.7 -4.5 3.1 71.6 47 50 A S > - 0 0 53 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.365 39.9-114.8 -67.2 150.7 -5.2 0.6 68.9 48 51 A L H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 117.2 55.3 -52.7 -39.7 -2.5 -0.0 66.2 49 52 A A H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 105.6 50.9 -63.9 -41.1 -4.8 1.4 63.5 50 53 A D H 4 S+ 0 0 80 -3,-0.4 4,-0.5 2,-0.2 -2,-0.2 0.889 113.2 46.4 -64.8 -35.9 -5.4 4.7 65.5 51 54 A V H >< S+ 0 0 1 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.910 112.3 48.9 -74.5 -38.2 -1.6 5.1 65.8 52 55 A Q H >< S+ 0 0 71 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.793 101.6 65.1 -67.9 -28.6 -1.0 4.2 62.0 53 56 A A G >< S+ 0 0 40 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.731 85.5 73.6 -68.2 -16.9 -3.7 6.8 61.1 54 57 A V G X S+ 0 0 0 -3,-0.9 3,-2.3 -4,-0.5 -1,-0.2 0.860 81.2 72.2 -64.7 -28.4 -1.4 9.5 62.5 55 58 A c G < S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.476 100.2 44.4 -71.6 -2.3 0.8 9.2 59.4 56 59 A S G < S+ 0 0 55 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.005 104.7 76.8-123.4 29.3 -1.8 10.8 57.3 57 60 A Q S < S- 0 0 36 -3,-2.3 2,-0.5 1,-0.2 15,-0.1 0.132 96.0 -8.9-111.1-130.2 -2.6 13.7 59.7 58 61 A K E -D 71 0B 64 13,-1.3 13,-2.4 1,-0.1 2,-0.4 -0.520 62.9-142.0 -85.0 118.6 -0.7 16.9 60.5 59 62 A N E +D 70 0B 9 -2,-0.5 2,-0.3 11,-0.2 11,-0.3 -0.555 31.7 161.9 -74.7 123.3 2.8 17.1 58.9 60 63 A V E -D 69 0B 25 9,-2.8 9,-1.3 -2,-0.4 2,-0.2 -0.895 43.2 -84.3-131.3 169.2 5.4 18.7 61.2 61 64 A A - 0 0 63 -2,-0.3 6,-0.2 7,-0.1 2,-0.2 -0.510 41.5-128.5 -69.7 135.6 9.3 18.8 61.4 62 65 A d > - 0 0 9 4,-2.4 3,-1.7 -2,-0.2 -1,-0.1 -0.534 22.5-113.0 -72.9 159.5 11.1 15.9 63.2 63 66 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.831 116.1 61.2 -67.6 -27.0 13.7 16.7 65.9 64 67 A N T 3 S- 0 0 102 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.286 123.1-101.9 -84.0 10.6 16.4 15.3 63.6 65 68 A G S < S+ 0 0 51 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.250 85.0 120.7 95.3 -17.8 15.7 17.9 60.9 66 69 A Q - 0 0 33 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.169 56.2-141.8 -76.9 179.2 13.7 15.7 58.6 67 70 A T S S+ 0 0 13 -6,-0.2 88,-0.3 1,-0.1 87,-0.3 0.186 71.8 94.6-138.1 16.2 10.1 16.5 57.6 68 71 A N + 0 0 1 -9,-0.1 39,-1.7 86,-0.1 2,-0.3 -0.077 57.0 120.9-100.6 33.2 8.1 13.3 57.4 69 72 A d E -DE 60 106B 0 -9,-1.3 -9,-2.8 37,-0.2 2,-0.4 -0.712 44.9-157.9 -95.6 157.4 6.8 13.5 61.0 70 73 A Y E -DE 59 105B 3 35,-2.5 35,-2.1 -2,-0.3 2,-0.4 -0.980 5.8-149.1-140.9 133.6 3.1 13.6 61.8 71 74 A Q E -DE 58 104B 41 -13,-2.4 -13,-1.3 -2,-0.4 33,-0.2 -0.920 30.9-108.2-110.3 134.2 1.2 14.8 64.9 72 75 A S - 0 0 1 31,-2.2 -18,-0.1 -2,-0.4 4,-0.1 -0.281 11.4-144.8 -63.2 136.2 -2.1 13.2 66.0 73 76 A Y S S+ 0 0 112 29,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.810 88.6 53.9 -64.2 -30.9 -5.2 15.3 65.5 74 77 A S S S- 0 0 70 29,-0.1 29,-0.4 27,-0.0 2,-0.2 -0.723 91.8-112.4-103.0 154.1 -6.5 13.7 68.7 75 78 A T - 0 0 72 -2,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.600 39.6-157.2 -71.0 146.4 -4.9 13.5 72.2 76 79 A M E - C 0 101A 12 25,-3.7 25,-2.3 -2,-0.2 2,-0.4 -0.941 21.5-103.9-127.1 155.2 -4.0 9.9 73.0 77 80 A S E + C 0 100A 27 -32,-0.4 -32,-3.0 -2,-0.3 2,-0.3 -0.630 50.3 167.9 -76.0 125.7 -3.5 8.0 76.3 78 81 A I E -BC 44 99A 5 21,-2.7 21,-2.4 -2,-0.4 2,-0.5 -0.946 32.5-136.6-136.7 154.4 0.2 7.5 76.9 79 82 A T E -BC 43 98A 0 -36,-2.1 -36,-1.7 -2,-0.3 2,-0.6 -0.973 17.0-148.9-108.7 125.3 2.4 6.4 79.7 80 83 A D E -BC 42 97A 34 17,-3.0 17,-1.5 -2,-0.5 2,-0.6 -0.820 10.8-159.7 -90.8 123.0 5.6 8.4 80.3 81 84 A a E +BC 41 96A 0 -40,-3.1 -40,-1.7 -2,-0.6 2,-0.4 -0.906 15.9 173.7-106.5 119.4 8.5 6.3 81.8 82 85 A R E -BC 40 95A 139 13,-1.6 13,-3.6 -2,-0.6 2,-0.3 -0.966 35.2-110.8-129.6 138.8 11.2 8.2 83.5 83 86 A E E - 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