==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-MAR-92 1SMR . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.G.DEALWIS,T.L.BLUNDELL . 1356 12 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 979 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 444 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 139 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 12 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 12 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 PARALLEL BRIDGES PER LADDER . 20 12 12 12 12 12 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 T 0 0 114 0, 0.0 150,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 113.3 53.4 111.5 17.5 2 -1 A D + 0 0 110 148,-0.3 2,-0.2 146,-0.3 148,-0.2 0.917 360.0 179.5 36.1 55.6 53.1 107.8 18.7 3 0 A L B -a 150 0A 58 146,-2.5 148,-3.6 2,-0.0 149,-0.4 -0.583 29.3-170.1 -86.6 139.8 50.1 107.4 16.7 4 1 A I - 0 0 83 -2,-0.2 169,-0.2 146,-0.2 167,-0.0 -0.859 17.5-178.9-132.5 99.6 48.0 104.3 16.5 5 2 A S E -B 172 0B 16 167,-1.7 167,-3.1 -2,-0.4 2,-0.3 -0.969 9.9-161.1-108.4 113.8 45.4 104.8 13.7 6 3 A P E -B 171 0B 65 0, 0.0 2,-0.5 0, 0.0 165,-0.3 -0.749 5.4-153.6 -97.0 150.4 42.8 102.2 12.7 7 4 A V E -B 170 0B 13 163,-2.8 163,-2.9 -2,-0.3 2,-0.3 -0.993 23.0-129.9-115.9 113.9 40.9 102.2 9.3 8 5 A V E -B 169 0B 92 -2,-0.5 12,-0.4 161,-0.2 161,-0.3 -0.571 23.1-149.2 -74.4 137.6 37.6 100.5 9.6 9 6 A L E -B 168 0B 3 159,-2.3 158,-1.5 -2,-0.3 159,-1.0 -0.674 7.4-135.5-102.8 157.4 36.8 97.8 7.0 10 7 A T E -G 18 0C 52 8,-1.9 8,-1.9 157,-0.2 2,-0.6 -0.953 16.7-142.0-109.9 129.1 33.6 96.6 5.4 11 8 A N E -G 17 0C 10 -2,-0.4 2,-0.6 6,-0.2 6,-0.2 -0.868 15.3-169.1 -91.5 108.8 33.2 92.8 5.0 12 9 A Y E >> S-G 16 0C 74 4,-3.1 3,-2.5 -2,-0.6 4,-2.5 -0.965 71.8 -35.7-107.8 113.2 31.5 91.9 1.7 13 10 A L T 34 S- 0 0 121 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.511 102.1 -76.1 51.0 30.6 30.4 88.2 1.7 14 11 A N T 34 S+ 0 0 34 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.605 129.2 82.3 63.3 19.4 33.5 87.1 3.7 15 12 A S T <4 S+ 0 0 12 -3,-2.5 2,-0.4 1,-0.3 321,-0.4 0.611 84.8 41.1-129.8 -20.0 35.4 87.6 0.5 16 13 A Q E < -G 12 0C 3 -4,-2.5 -4,-3.1 319,-0.1 2,-0.5 -0.975 56.4-177.9-134.8 121.8 36.2 91.3 0.1 17 14 A Y E +G 11 0C 4 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.993 18.7 158.1-120.1 115.4 37.4 93.6 2.9 18 15 A Y E -GH 10 33C 17 -8,-1.9 -8,-1.9 -2,-0.5 2,-0.2 -0.942 21.1-167.2-140.5 160.2 37.9 97.1 2.1 19 16 A G E - H 0 32C 4 13,-2.2 13,-2.5 -2,-0.3 2,-0.3 -0.826 32.3 -89.6-135.7 177.7 38.1 100.6 3.7 20 17 A E E + H 0 31C 118 -12,-0.4 77,-0.3 -2,-0.2 2,-0.3 -0.707 32.8 178.5-101.0 152.8 38.1 104.2 2.4 21 18 A I E - H 0 30C 6 9,-2.1 9,-1.9 -2,-0.3 2,-0.4 -0.905 21.2-132.5-135.3 158.2 40.9 106.5 1.4 22 19 A G E -IH 95 29C 10 73,-2.3 73,-2.7 -2,-0.3 2,-0.4 -0.976 15.5-166.1-119.7 142.6 40.9 110.1 0.0 23 20 A I E > -IH 94 28C 0 5,-2.4 5,-2.9 -2,-0.4 71,-0.2 -0.999 48.0 -9.8-128.1 126.1 42.9 111.3 -3.0 24 21 A G T 5S- 0 0 8 69,-2.4 42,-0.1 -2,-0.4 68,-0.1 -0.201 91.3 -29.6 90.1-173.9 43.5 114.9 -3.9 25 22 A T T 5S+ 0 0 62 2,-0.1 42,-2.1 -2,-0.1 43,-0.2 -0.975 136.4 15.3-123.3 112.7 42.4 118.4 -3.0 26 23 A P T 5S- 0 0 95 0, 0.0 2,-0.1 0, 0.0 42,-0.1 0.697 120.0-102.0 -74.0 173.0 39.6 118.3 -2.0 27 24 A P T 5 - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.452 23.2-153.6 -75.2 140.1 39.6 114.5 -1.5 28 25 A Q E < -H 23 0C 35 -5,-2.9 -5,-2.4 -2,-0.1 2,-0.3 -0.879 26.6-131.3 -97.4 129.9 38.0 112.2 -3.8 29 26 A T E +H 22 0C 72 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.741 27.6 176.5 -97.0 139.7 37.0 108.9 -1.9 30 27 A F E -H 21 0C 3 -9,-1.9 -9,-2.1 -2,-0.3 2,-0.5 -0.996 28.7-128.6-133.0 148.9 37.8 105.4 -2.9 31 28 A K E -H 20 0C 61 -2,-0.3 92,-2.3 -11,-0.2 91,-2.0 -0.786 36.4-176.4 -91.1 128.0 37.2 102.0 -1.4 32 29 A V E -Hj 19 123C 0 -13,-2.5 -13,-2.2 -2,-0.5 2,-0.4 -0.960 29.9-131.5-131.1 146.8 40.4 99.9 -1.4 33 30 A I E -Hj 18 124C 5 90,-1.7 92,-2.4 -2,-0.4 2,-0.8 -0.778 28.5-131.8 -77.7 128.3 41.5 96.5 -0.5 34 31 A F E - j 0 125C 6 -17,-0.5 2,-0.7 -2,-0.4 92,-0.2 -0.868 31.3-164.0 -88.1 108.2 44.7 96.7 1.8 35 32 A D E > - j 0 126C 0 90,-2.3 92,-3.5 -2,-0.8 3,-1.3 -0.889 29.8-179.9 -98.4 101.8 46.9 94.1 0.1 36 33 A T T 3 S+ 0 0 0 -2,-0.7 159,-0.5 1,-0.2 93,-0.1 0.560 83.5 70.3 -81.0 -0.7 50.0 92.7 1.8 37 34 A G T 3 S+ 0 0 0 91,-0.1 302,-2.2 157,-0.1 -1,-0.2 0.430 108.2 29.6 -86.1 2.1 50.5 90.6 -1.4 38 35 A S < - 0 0 0 -3,-1.3 90,-2.3 300,-0.2 89,-0.2 -0.851 62.6-145.3-150.9 178.2 51.5 93.8 -3.5 39 36 A A + 0 0 1 93,-0.4 2,-0.3 -2,-0.2 101,-0.2 0.260 65.0 89.5-140.4 13.6 53.1 97.3 -3.0 40 37 A N - 0 0 4 92,-0.1 86,-2.2 99,-0.1 2,-0.4 -0.801 59.6-142.1-112.0 155.4 51.4 99.7 -5.4 41 38 A L E +K 125 0C 3 63,-0.4 65,-2.4 -2,-0.3 2,-0.3 -0.913 30.0 164.0-103.4 132.6 48.3 101.9 -4.9 42 39 A W E -Kl 124 106C 0 82,-2.1 82,-1.5 -2,-0.4 65,-0.2 -0.946 15.7-175.0-145.3 157.2 45.9 102.3 -7.9 43 40 A V E - l 0 107C 0 63,-2.0 65,-2.4 -2,-0.3 80,-0.1 -0.882 40.0 -91.2-137.4 159.3 42.4 103.5 -8.6 44 41 A P E - l 0 108C 0 0, 0.0 17,-2.7 0, 0.0 2,-0.3 -0.279 45.7-137.1 -72.8 152.4 40.3 103.5 -11.7 45 42 A S B > -p 61 0D 0 63,-2.5 3,-1.5 15,-0.2 17,-0.2 -0.812 20.3-123.9-112.7 157.1 40.5 106.6 -13.8 46 43 A T T 3 S+ 0 0 49 15,-1.8 16,-0.1 -2,-0.3 -1,-0.1 0.659 113.3 66.6 -61.8 -29.0 38.0 108.8 -15.6 47 44 A K T 3 S+ 0 0 95 14,-0.3 -1,-0.3 61,-0.1 2,-0.1 0.482 73.1 123.0 -75.6 -8.4 40.3 108.1 -18.7 48 45 A a < - 0 0 17 -3,-1.5 62,-0.1 60,-0.2 61,-0.1 -0.355 65.7-121.1 -55.3 127.6 39.2 104.5 -18.5 49 46 A S > - 0 0 55 60,-1.0 3,-2.4 1,-0.1 6,-0.2 -0.351 14.8-109.6 -80.1 158.6 37.6 103.5 -21.9 50 47 A R T 3 S+ 0 0 252 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.562 111.2 74.9 -58.9 -15.1 34.1 102.3 -22.6 51 47AA L T 3 S+ 0 0 147 1,-0.2 2,-1.0 2,-0.1 -1,-0.3 0.676 83.9 74.3 -74.2 -14.6 35.5 98.9 -23.4 52 47BA Y X + 0 0 66 -3,-2.4 3,-1.2 1,-0.2 4,-0.3 -0.813 58.5 179.7-107.7 89.1 36.0 98.3 -19.7 53 48 A L G > S+ 0 0 101 -2,-1.0 3,-2.5 1,-0.2 4,-0.3 0.840 76.5 71.4 -46.3 -43.9 32.6 97.7 -18.3 54 49 A A G > S+ 0 0 0 57,-0.5 3,-1.5 1,-0.3 4,-0.3 0.882 90.0 63.8 -52.8 -29.7 34.1 97.3 -14.7 55 50 A a G X S+ 0 0 8 -3,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.703 93.0 61.9 -70.6 -12.4 34.8 101.1 -14.8 56 51 A G G < S+ 0 0 71 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.606 102.1 49.7 -92.4 5.4 31.1 101.9 -14.9 57 52 A I G < S+ 0 0 84 -3,-1.5 2,-0.2 -4,-0.3 -1,-0.2 0.322 106.2 61.6-116.6 -6.7 30.5 100.3 -11.6 58 53 A H S < S- 0 0 22 -3,-0.5 2,-0.2 -4,-0.3 64,-0.1 -0.758 88.2 -90.9-123.9 169.7 33.2 102.1 -9.6 59 54 A S - 0 0 59 -2,-0.2 2,-0.4 -28,-0.1 -2,-0.1 -0.626 43.2-146.4 -79.6 142.6 34.3 105.5 -8.5 60 55 A L - 0 0 66 -2,-0.2 2,-0.3 -17,-0.1 -15,-0.2 -0.949 9.0-125.3-123.4 130.0 36.7 107.2 -10.9 61 56 A Y B -p 45 0D 0 -17,-2.7 -15,-1.8 -2,-0.4 2,-0.6 -0.486 18.4-162.7 -73.2 130.8 39.5 109.5 -10.1 62 57 A E > - 0 0 47 -2,-0.3 3,-1.6 -17,-0.2 4,-0.1 -0.899 7.7-169.4-117.0 98.9 39.5 112.9 -12.0 63 58 A S G > S+ 0 0 11 -2,-0.6 3,-1.2 1,-0.3 6,-0.2 0.708 84.7 70.7 -63.1 -18.6 42.9 114.6 -11.8 64 59 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.607 97.2 50.1 -66.9 -24.7 41.1 117.8 -13.3 65 60 A D G < S+ 0 0 105 -3,-1.6 2,-0.5 1,-0.0 -1,-0.3 0.355 95.6 83.5-100.1 2.4 39.3 118.3 -9.9 66 61 A S X - 0 0 10 -3,-1.2 3,-0.8 1,-0.1 -42,-0.1 -0.958 55.4-166.1-114.9 119.7 42.4 118.1 -7.7 67 62 A S T 3 S+ 0 0 106 -42,-2.1 -1,-0.1 -2,-0.5 -4,-0.0 0.701 92.6 53.4 -74.2 -15.5 44.6 121.1 -7.2 68 63 A S T 3 S+ 0 0 30 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.517 80.0 123.1 -97.8 -3.4 47.4 118.9 -5.7 69 64 A Y < - 0 0 55 -3,-0.8 2,-0.4 -6,-0.2 23,-0.2 -0.352 42.6-166.6 -57.8 137.0 47.5 116.6 -8.8 70 65 A M E -M 91 0C 107 21,-2.8 21,-2.1 -2,-0.0 -2,-0.1 -0.992 20.2-123.3-126.4 124.5 51.0 116.4 -10.4 71 66 A E E +M 90 0C 163 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.218 41.4 153.2 -66.5 148.8 51.3 114.8 -13.9 72 67 A N E - 0 0 64 17,-0.5 18,-0.2 2,-0.1 -1,-0.1 0.370 17.3-174.7-137.8 -62.9 53.7 111.8 -14.4 73 68 A G E + 0 0 42 16,-3.5 17,-0.1 1,-0.3 3,-0.1 0.236 29.0 140.1 84.2 -9.8 52.3 109.6 -17.4 74 69 A D E - 0 0 105 1,-0.1 15,-2.7 15,-0.1 -1,-0.3 -0.286 63.5 -84.8 -63.2 158.3 54.7 106.7 -17.3 75 70 A D E -M 88 0C 93 13,-0.2 2,-0.4 31,-0.1 13,-0.3 -0.211 36.5-162.7 -57.5 141.7 53.2 103.2 -17.9 76 71 A F E +M 87 0C 0 11,-2.0 11,-2.5 31,-0.1 2,-0.4 -0.966 20.3 160.7-128.5 106.5 51.7 101.3 -15.0 77 72 A T E +M 86 0C 27 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.997 10.0 173.3-123.5 120.7 51.3 97.5 -15.7 78 73 A I E -M 85 0C 0 7,-2.4 7,-2.2 -2,-0.4 2,-0.4 -0.991 18.3-149.2-135.6 144.5 50.8 95.1 -12.8 79 74 A H E +MN 84 340C 63 261,-0.6 261,-2.3 -2,-0.4 2,-0.3 -0.985 15.8 175.3-118.6 135.2 50.1 91.4 -12.6 80 75 A Y E > -MN 83 339C 0 3,-2.0 3,-2.5 -2,-0.4 259,-0.2 -0.833 51.8 -99.0-120.4 162.2 48.2 89.7 -9.8 81 76 A G T 3 S+ 0 0 17 257,-1.4 257,-0.2 1,-0.3 215,-0.1 0.871 125.0 52.6 -51.5 -37.8 47.1 86.0 -9.5 82 77 A S T 3 S- 0 0 29 255,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.662 122.7 -68.9 -80.8 -10.6 43.5 87.4 -10.7 83 78 A G E < -M 80 0C 23 -3,-2.5 -3,-2.0 254,-0.2 2,-0.4 -0.915 55.7 -62.6 145.7 171.4 44.6 89.2 -13.8 84 79 A R E -M 79 0C 101 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.815 36.2-168.2-104.9 137.7 46.5 92.1 -15.2 85 80 A V E -M 78 0C 0 -7,-2.2 -7,-2.4 -2,-0.4 2,-0.4 -0.945 9.7-175.7-121.1 143.2 45.6 95.8 -14.7 86 81 A K E +MO 77 110C 65 24,-2.0 23,-2.2 -2,-0.4 24,-2.1 -0.969 22.2 116.2-141.7 153.9 47.1 98.7 -16.6 87 82 A G E -MO 76 108C 9 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.3 -0.833 56.0 -78.0-177.3-137.0 47.1 102.5 -16.7 88 83 A F E -MO 75 107C 46 19,-1.9 19,-2.4 -13,-0.3 -13,-0.2 -0.979 41.9 -94.9-148.5 156.3 49.6 105.3 -16.1 89 84 A L E + O 0 106C 8 -15,-2.7 -16,-3.5 -2,-0.3 -17,-0.5 -0.508 39.7 169.8 -85.3 144.5 51.3 106.9 -13.1 90 85 A S E -MO 71 105C 0 15,-1.9 15,-1.5 -2,-0.2 2,-0.4 -0.928 22.6-135.1-134.6 160.9 50.0 110.1 -11.6 91 86 A Q E +MO 70 104C 60 -21,-2.1 -21,-2.8 -2,-0.3 2,-0.3 -0.984 35.2 135.7-129.5 143.2 51.0 111.8 -8.3 92 87 A D E - 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