==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTIC PROTEINASE 21-MAY-92 1BBS . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.DHANARAJ,T.L.BLUNDELL . 662 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 2 0.3 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 . 98 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 6 2 0 0 2 0 0 2 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 6 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 PARALLEL BRIDGES PER LADDER . 6 6 8 4 8 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 2 2 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 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 T 0 0 93 0, 0.0 148,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.3 49.3 36.6 96.7 2 1 A T - 0 0 72 146,-0.2 2,-0.5 147,-0.1 169,-0.2 -0.969 360.0-172.2-137.2 129.2 49.2 36.7 92.9 3 2 A S E -A 170 0A 25 167,-2.6 167,-3.5 -2,-0.4 2,-0.4 -0.922 3.5-163.0-127.0 137.6 48.6 39.8 90.7 4 3 A S E -A 169 0A 56 -2,-0.5 2,-0.5 165,-0.3 165,-0.2 -0.910 7.5-156.6-122.5 145.7 48.0 40.0 87.0 5 4 A V E -A 168 0A 7 163,-3.0 163,-2.6 -2,-0.4 2,-0.3 -0.974 20.7-135.3-112.8 122.4 48.2 42.9 84.6 6 5 A I E -A 167 0A 109 -2,-0.5 12,-0.3 161,-0.2 161,-0.3 -0.620 20.7-149.5 -82.8 133.0 46.1 42.6 81.3 7 6 A L E -A 166 0A 4 159,-2.2 158,-0.6 -2,-0.3 159,-0.6 -0.685 5.9-134.1-104.1 162.8 47.8 43.6 78.1 8 7 A T E -F 16 0B 67 8,-1.7 8,-1.4 -2,-0.2 2,-0.6 -0.846 15.4-141.2-110.0 134.8 46.6 45.0 74.8 9 8 A N E -F 15 0B 16 -2,-0.3 2,-0.7 6,-0.2 6,-0.2 -0.936 14.2-173.0-108.6 119.8 47.7 43.7 71.4 10 9 A Y E >> S-F 14 0B 86 4,-3.0 3,-1.9 -2,-0.6 4,-0.8 -0.912 74.6 -41.3-111.4 97.7 48.4 46.2 68.6 11 10 A M T 34 S- 0 0 112 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.833 98.6 -75.2 50.9 42.1 49.0 44.3 65.5 12 11 A D T 34 S+ 0 0 26 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.699 126.6 78.9 53.5 20.4 51.1 41.6 67.0 13 12 A T T <4 S+ 0 0 34 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.551 90.1 44.3-131.7 -8.0 54.1 43.9 67.4 14 13 A Q E < +F 10 0B 26 -4,-0.8 -4,-3.0 208,-0.1 2,-0.4 -0.942 55.7 178.1-142.2 116.6 53.3 45.9 70.5 15 14 A Y E +F 9 0B 10 -2,-0.3 17,-0.4 -6,-0.2 2,-0.4 -0.993 17.2 171.4-118.6 108.1 51.8 44.5 73.8 16 15 A Y E -F 8 0B 27 -8,-1.4 -8,-1.7 -2,-0.4 15,-0.3 -0.950 15.2-170.2-130.6 144.1 51.3 47.1 76.5 17 16 A G E -G 30 0C 3 13,-2.7 13,-2.6 -2,-0.4 2,-0.5 -0.438 29.2-100.1-111.1-163.9 49.6 47.1 79.9 18 17 A E E +G 29 0C 112 -12,-0.3 77,-0.5 11,-0.2 2,-0.3 -0.949 31.9 175.2-130.4 133.0 48.8 50.0 82.3 19 18 A I E -GH 28 94C 4 9,-2.3 9,-2.3 -2,-0.5 2,-0.5 -0.899 22.3-133.5-125.0 159.2 50.5 51.2 85.4 20 19 A G E -GH 27 93C 8 73,-1.9 73,-2.4 -2,-0.3 2,-0.5 -0.951 14.4-165.3-119.2 135.6 49.8 54.2 87.6 21 20 A I E > -GH 26 92C 0 5,-2.6 5,-2.7 -2,-0.5 71,-0.2 -0.943 48.3 -6.4-116.3 128.9 52.3 56.7 88.8 22 21 A G E 5S-G 25 0C 4 69,-1.9 42,-0.1 -2,-0.5 68,-0.1 -0.481 86.4 -39.5 102.4-171.2 51.6 59.2 91.6 23 22 A T T 5S+ 0 0 53 1,-0.7 42,-2.6 -2,-0.2 43,-0.2 -0.848 137.3 23.3-153.7 109.8 48.9 60.5 93.8 24 23 A P T 5S- 0 0 92 0, 0.0 -1,-0.7 0, 0.0 42,-0.1 0.684 123.0-110.6 -64.2 158.3 46.4 60.8 92.5 25 24 A P E 5 -G 22 0C 83 0, 0.0 2,-0.6 0, 0.0 -3,-0.3 -0.279 21.2-145.0 -62.2 138.1 47.8 58.2 90.1 26 25 A Q E < -G 21 0C 23 -5,-2.7 -5,-2.6 -2,-0.0 2,-0.2 -0.967 23.1-131.5-107.7 112.8 48.7 59.3 86.5 27 26 A T E +G 20 0C 72 -2,-0.6 2,-0.4 -7,-0.2 -7,-0.2 -0.435 28.2 178.8 -74.0 133.1 47.9 56.4 84.1 28 27 A F E -G 19 0C 1 -9,-2.3 -9,-2.3 -2,-0.2 2,-0.4 -0.998 27.1-131.7-137.9 144.0 50.4 55.3 81.5 29 28 A K E +G 18 0C 83 -2,-0.4 91,-3.2 -11,-0.2 92,-1.8 -0.803 40.1 174.4 -88.3 125.2 50.4 52.6 78.9 30 29 A V E -Gi 17 121C 0 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.4 -0.924 33.9-126.7-138.8 166.4 53.7 50.6 79.0 31 30 A V E - i 0 122C 18 90,-1.2 92,-2.4 -2,-0.3 2,-1.0 -0.901 26.3-132.2-105.0 125.9 55.5 47.6 77.6 32 31 A F E - i 0 123C 6 -17,-0.4 2,-0.5 -2,-0.4 92,-0.2 -0.803 30.7-162.3 -95.3 103.4 56.9 45.0 80.2 33 32 A D E > - i 0 124C 13 90,-1.4 92,-3.0 -2,-1.0 3,-0.9 -0.755 28.0-174.8 -83.9 98.0 60.5 44.5 78.9 34 33 A T T 3 S+ 0 0 0 -2,-0.5 159,-0.4 1,-0.2 93,-0.2 0.476 85.8 66.2 -81.3 8.1 62.6 41.5 80.0 35 34 A G T 3 S+ 0 0 21 91,-0.1 -1,-0.2 157,-0.1 2,-0.2 0.660 105.0 34.4 -98.9 -18.0 65.5 43.1 78.1 36 35 A S < - 0 0 14 -3,-0.9 90,-1.4 87,-0.1 89,-0.2 -0.521 59.2-151.8-123.2-170.3 66.0 46.2 80.3 37 36 A S + 0 0 1 93,-0.3 101,-0.3 88,-0.2 2,-0.2 0.319 64.3 90.8-147.8 -1.8 65.7 47.0 84.0 38 37 A N - 0 0 5 92,-0.1 86,-1.9 99,-0.1 2,-0.4 -0.623 63.7-139.0 -96.5 162.4 64.8 50.6 84.3 39 38 A V E +J 123 0C 5 63,-0.3 65,-2.0 84,-0.3 2,-0.3 -0.985 29.6 170.5-117.1 126.2 61.2 52.0 84.3 40 39 A W E +Jk 122 104C 1 82,-2.8 82,-2.2 -2,-0.4 65,-0.2 -0.982 19.0 175.2-142.2 158.2 60.4 55.1 82.3 41 40 A V E - k 0 105C 0 63,-1.4 65,-2.0 -2,-0.3 80,-0.1 -0.937 46.1 -89.5-145.9 152.8 57.5 57.3 81.1 42 41 A P E - k 0 106C 0 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.299 45.1-140.2 -68.0 161.4 57.7 60.7 79.2 43 42 A S B > -o 59 0D 0 63,-1.8 3,-2.1 15,-0.3 17,-0.2 -0.930 19.7-117.2-126.6 153.1 57.8 63.8 81.4 44 43 A S T 3 S+ 0 0 34 15,-1.5 16,-0.1 -2,-0.3 -1,-0.1 0.737 112.4 67.0 -51.8 -34.0 56.3 67.3 81.2 45 44 A K T 3 S+ 0 0 137 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.425 74.6 117.6 -73.9 8.0 59.7 68.8 80.9 46 45 A a S < S- 0 0 1 -3,-2.1 62,-0.1 60,-0.1 2,-0.1 -0.728 74.4-117.7 -82.1 119.7 59.9 67.1 77.5 47 46 A S > - 0 0 58 -2,-0.6 3,-2.1 60,-0.6 6,-0.3 -0.387 12.3-133.4 -57.3 127.1 60.3 69.8 74.8 48 46AA R T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.419 100.0 78.5 -65.0 -1.9 57.3 69.8 72.4 49 46BA L T 3 S+ 0 0 158 1,-0.1 2,-1.1 2,-0.1 -1,-0.3 0.815 77.0 78.3 -76.4 -26.4 59.8 70.0 69.5 50 47 A Y S X> S- 0 0 78 -3,-2.1 3,-1.7 1,-0.2 4,-0.6 -0.732 80.3-155.8 -77.2 98.3 60.2 66.2 70.2 51 48 A T H >> S+ 0 0 58 -2,-1.1 4,-1.0 1,-0.3 3,-0.8 0.769 87.2 68.9 -54.1 -21.9 57.0 65.3 68.4 52 49 A A H >> S+ 0 0 0 57,-0.5 4,-0.7 1,-0.2 3,-0.5 0.905 94.6 53.2 -65.0 -37.3 56.9 62.1 70.4 53 50 A a H <4 S+ 0 0 1 -3,-1.7 -1,-0.2 -6,-0.3 -2,-0.2 0.578 106.0 54.4 -72.3 -14.6 56.2 64.1 73.6 54 51 A V H << S+ 0 0 82 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.651 110.7 45.7 -90.8 -20.3 53.2 65.8 71.9 55 52 A Y H << S+ 0 0 168 -4,-1.0 2,-0.3 -3,-0.5 -2,-0.2 0.536 108.9 62.1-101.4 -5.5 51.7 62.4 71.0 56 53 A H S < S- 0 0 25 -4,-0.7 2,-0.3 -5,-0.1 64,-0.1 -0.746 88.7 -94.6-120.5 164.3 52.2 60.6 74.4 57 54 A K - 0 0 90 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.515 41.5-145.5 -77.4 133.8 51.0 61.1 78.0 58 55 A L - 0 0 32 -2,-0.3 2,-0.6 -17,-0.1 -15,-0.3 -0.792 8.9-123.9-106.9 148.8 53.4 63.0 80.2 59 56 A F B -o 43 0D 0 -17,-2.5 -15,-1.5 -2,-0.4 2,-0.6 -0.709 20.8-163.0 -87.3 122.2 54.2 62.6 83.9 60 57 A D > - 0 0 49 -2,-0.6 3,-1.1 -17,-0.2 -17,-0.0 -0.881 10.1-172.8-101.4 115.0 53.7 65.8 86.0 61 58 A A G > S+ 0 0 16 -2,-0.6 3,-0.9 1,-0.2 6,-0.2 0.684 85.7 65.9 -80.2 -10.8 55.4 65.6 89.4 62 59 A S G 3 S+ 0 0 97 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.663 100.6 50.1 -79.0 -12.3 53.7 68.8 90.4 63 60 A D G < S+ 0 0 106 -3,-1.1 2,-0.5 -39,-0.0 -1,-0.2 0.143 100.9 77.6-106.5 10.6 50.4 67.0 90.2 64 61 A S < - 0 0 11 -3,-0.9 3,-0.4 -42,-0.1 -42,-0.1 -0.984 56.1-168.6-126.5 126.6 51.6 64.2 92.4 65 62 A S S S+ 0 0 99 -42,-2.6 -1,-0.1 -2,-0.5 -4,-0.1 0.429 86.0 58.7 -91.0 0.9 52.0 64.5 96.1 66 63 A S S S+ 0 0 23 -43,-0.2 2,-0.2 -42,-0.1 -1,-0.2 0.534 82.0 120.6-103.8 -1.4 53.9 61.3 96.7 67 64 A Y - 0 0 55 -3,-0.4 2,-0.5 -6,-0.2 23,-0.2 -0.378 43.4-167.1 -64.5 122.4 56.7 62.5 94.4 68 65 A K B -L 89 0C 128 21,-3.0 21,-1.8 -2,-0.2 -2,-0.0 -0.972 21.8-117.2-122.1 135.1 60.3 62.9 95.6 69 66 A H + 0 0 146 -2,-0.5 2,-0.2 19,-0.2 19,-0.1 0.056 36.5 159.9 -53.2 165.5 63.0 64.8 93.7 70 67 A N - 0 0 47 17,-0.3 19,-0.1 18,-0.1 16,-0.0 -0.628 22.7-158.3 174.6 127.8 66.3 63.1 92.5 71 68 A G + 0 0 46 -2,-0.2 16,-0.1 15,-0.1 -2,-0.0 0.886 38.2 139.7 -91.6 -35.6 68.3 64.7 89.7 72 69 A T - 0 0 92 14,-0.2 15,-2.9 1,-0.1 2,-0.1 0.436 50.0-127.0 -10.8 111.0 70.3 61.8 88.3 73 70 A E E -M 86 0C 163 13,-0.3 2,-0.4 31,-0.1 13,-0.3 -0.408 25.1-162.3 -70.7 150.3 70.6 61.8 84.6 74 71 A L E -M 85 0C 11 11,-3.1 11,-2.8 31,-0.1 2,-0.4 -0.999 18.6-179.1-137.6 138.9 69.6 58.8 82.6 75 72 A T E -M 84 0C 73 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.915 14.0-164.6-129.9 94.5 70.4 57.6 79.1 76 73 A L E -M 83 0C 6 7,-1.7 7,-1.5 -2,-0.4 2,-0.9 -0.720 5.5-157.6 -83.6 128.3 68.7 54.2 78.4 77 74 A R E +M 82 0C 73 -2,-0.5 5,-0.2 5,-0.2 -1,-0.1 -0.673 13.9 178.9-108.2 91.7 70.2 52.7 75.3 78 75 A Y - 0 0 48 3,-1.2 -42,-0.0 -2,-0.9 5,-0.0 -0.317 39.9-114.9 -74.6 173.4 67.8 50.1 73.7 79 76 A S S S+ 0 0 88 1,-0.1 -1,-0.1 216,-0.0 3,-0.1 0.775 114.2 33.9 -82.7 -18.0 68.9 48.4 70.5 80 77 A T S S+ 0 0 103 1,-0.2 2,-0.3 33,-0.0 -1,-0.1 0.746 128.7 6.0-103.4 -30.2 66.2 50.0 68.5 81 78 A G - 0 0 8 32,-0.1 -3,-1.2 33,-0.0 2,-0.3 -0.935 59.3-136.3-146.7 174.0 65.9 53.4 70.1 82 79 A T E -M 77 0C 66 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.960 16.5-180.0-132.1 148.1 67.4 55.7 72.7 83 80 A V E -M 76 0C 2 -7,-1.5 -7,-1.7 -2,-0.3 2,-0.3 -0.979 6.3-163.1-144.0 154.7 65.9 58.0 75.4 84 81 A S E +MN 75 108C 20 24,-1.4 23,-3.6 -2,-0.3 24,-2.2 -0.989 27.8 113.2-142.2 151.7 67.3 60.4 78.0 85 82 A G E -MN 74 106C 5 -11,-2.8 -11,-3.1 -2,-0.3 2,-0.3 -0.895 52.5 -73.4 178.7-150.1 66.0 62.1 81.2 86 83 A F E -MN 73 105C 30 19,-1.6 19,-3.5 -13,-0.3 -13,-0.3 -0.956 41.9 -93.6-138.5 159.1 66.5 62.1 85.0 87 84 A L E + N 0 104C 8 -15,-2.9 2,-0.3 -2,-0.3 -17,-0.3 -0.314 42.6 176.0 -68.7 148.3 65.7 59.9 88.0 88 85 A S E - N 0 103C 0 15,-2.0 15,-1.8 -19,-0.1 2,-0.4 -0.966 19.2-138.1-147.0 159.8 62.5 60.5 90.0 89 86 A Q E +LN 68 102C 65 -21,-1.8 -21,-3.0 -2,-0.3 2,-0.3 -0.973 37.6 123.6-128.5 138.3 60.7 58.9 92.9 90 87 A D E - N 0 101C 1 11,-2.3 11,-2.6 -2,-0.4 2,-0.6 -0.942 60.9 -78.1-167.3-178.4 57.0 58.2 93.4 91 88 A I E - 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