==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 09-DEC-11 3V19 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.L.WAN,Q.X.HUA,N.P.WICKRAMASINGHE,K.HUANG,A.T.PETKOVA,S.Q.H . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 2 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G > 0 0 55 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 108.2 38.5 2.9 12.4 2 2 A L H >>> + 0 0 5 47,-0.4 4,-2.8 2,-0.2 3,-0.6 0.970 360.0 44.8 -60.5 -55.6 40.1 5.2 9.9 3 3 A L H 3>>S+ 0 0 44 1,-0.3 4,-1.0 46,-0.2 5,-1.0 0.852 110.5 56.3 -57.2 -37.4 38.5 8.3 11.4 4 4 A E H 345S+ 0 0 139 3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.857 117.7 31.7 -66.1 -34.3 39.5 7.0 14.9 5 5 A Q H <<5S+ 0 0 91 -4,-1.7 -2,-0.2 -3,-0.6 4,-0.2 0.845 123.5 36.5 -97.0 -38.1 43.2 6.8 14.0 6 6 A a H <5S+ 0 0 1 -4,-2.8 22,-2.9 -5,-0.2 5,-0.4 0.663 126.4 35.9 -90.7 -18.5 44.1 9.5 11.4 7 7 A b T < - 0 0 62 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.330 38.3-102.4 -73.9 166.4 52.0 8.0 8.8 13 13 A L H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.845 126.4 57.8 -59.1 -30.1 51.7 7.9 5.0 14 14 A Y H >> S+ 0 0 160 2,-0.2 3,-0.6 1,-0.2 4,-0.5 0.968 104.9 46.3 -62.6 -55.4 52.0 4.2 5.5 15 15 A Q H >4 S+ 0 0 69 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.826 109.9 56.9 -56.6 -33.3 49.0 4.0 7.8 16 16 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -1,-0.3 0.851 98.2 60.1 -67.5 -36.1 47.1 6.2 5.3 17 17 A E H X< S+ 0 0 70 -4,-1.5 3,-1.6 -3,-0.6 -1,-0.2 0.616 83.8 80.6 -69.0 -12.3 47.8 3.7 2.5 18 18 A N T << S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.626 92.0 52.9 -68.6 -11.3 45.9 1.0 4.5 19 19 A Y T < S+ 0 0 29 -3,-1.5 28,-2.0 -4,-0.1 -1,-0.3 0.259 84.8 103.6-108.8 10.9 42.7 2.7 3.2 20 20 A c B < A 46 0A 12 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.650 360.0 360.0 -88.3 151.4 43.7 2.6 -0.5 21 21 A N 0 0 99 24,-2.1 -1,-0.1 -2,-0.2 24,-0.1 -0.104 360.0 360.0 -69.9 360.0 42.0 -0.1 -2.7 22 !* 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 23 1 B F 0 0 117 0, 0.0 -10,-0.1 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 160.9 54.1 13.5 4.4 24 2 B V - 0 0 75 1,-0.1 2,-0.2 -12,-0.1 -11,-0.0 -0.144 360.0-144.1 -57.0 154.9 52.5 16.0 6.8 25 3 B N + 0 0 121 2,-0.1 2,-0.3 -15,-0.1 -1,-0.1 -0.488 59.1 96.9-122.1 60.6 52.5 15.1 10.5 26 4 B Q S S- 0 0 128 -15,-0.2 -15,-0.4 -2,-0.2 -17,-0.1 -0.946 80.0 -76.8-144.6 164.9 49.2 16.4 11.7 27 5 B H - 0 0 107 -2,-0.3 2,-0.5 -17,-0.1 -20,-0.2 -0.371 41.5-155.1 -62.0 136.0 45.6 15.2 12.5 28 6 B L + 0 0 25 -22,-2.9 2,-0.3 -19,-0.4 -19,-0.1 -0.968 23.4 163.9-119.2 117.5 43.5 14.8 9.4 29 7 B b >> - 0 0 47 -2,-0.5 3,-1.9 -22,-0.1 4,-0.6 -0.861 41.9 -9.0-132.3 165.9 39.7 15.1 9.8 30 8 B G H >> S- 0 0 17 -2,-0.3 4,-1.1 1,-0.3 3,-0.6 -0.204 128.4 -10.0 52.4-132.3 36.5 15.6 7.9 31 9 B S H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.681 130.6 67.6 -72.0 -17.6 37.1 16.5 4.2 32 10 B H H <> S+ 0 0 134 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.841 100.3 49.5 -71.7 -30.5 40.9 17.0 4.8 33 11 B L H < S+ 0 0 3 -4,-2.9 3,-1.5 -5,-0.3 -1,-0.2 0.725 78.9 173.3 -80.3 -22.9 46.0 6.6 -3.1 42 20 B G G >< S- 0 0 38 -4,-1.1 3,-1.7 -3,-0.5 -1,-0.2 -0.178 71.3 -5.5 53.2-138.6 46.2 7.9 -6.7 43 21 B E G 3 S+ 0 0 186 1,-0.3 -1,-0.3 59,-0.1 61,-0.1 0.792 124.1 76.4 -56.7 -30.8 44.8 5.5 -9.3 44 22 B R G < S- 0 0 115 -3,-1.5 -1,-0.3 58,-0.1 -23,-0.2 0.793 88.4-154.9 -53.0 -29.9 44.3 2.9 -6.6 45 23 B G < - 0 0 0 -3,-1.7 -24,-2.1 -4,-0.2 2,-0.3 -0.138 9.3-127.0 73.6 177.3 41.3 4.8 -5.4 46 24 B F E -AB 20 101A 0 55,-1.6 55,-3.8 -26,-0.3 2,-0.4 -0.943 1.3-119.9-154.8 174.5 40.2 4.4 -1.8 47 25 B F E - B 0 100A 52 -28,-2.0 2,-0.5 -2,-0.3 53,-0.2 -0.989 18.6-165.5-126.5 131.8 37.4 3.5 0.6 48 26 B Y E + B 0 99A 7 51,-3.3 51,-3.0 -2,-0.4 -2,-0.0 -0.971 18.3 159.9-121.3 114.6 36.1 5.9 3.2 49 27 B T + 0 0 33 -2,-0.5 -47,-0.4 49,-0.3 -46,-0.2 -0.742 10.9 179.9-138.5 85.9 33.9 4.5 6.0 50 28 B P S S+ 0 0 19 0, 0.0 46,-0.1 0, 0.0 47,-0.1 0.590 88.3 32.5 -60.2 -17.9 33.8 6.9 9.0 51 29 B K 0 0 120 45,-0.6 46,-0.1 44,-0.1 45,-0.1 0.666 360.0 360.0-112.5 -28.8 31.5 4.6 10.9 52 30 B T 0 0 143 44,-0.3 45,-0.1 -51,-0.0 -3,-0.0 0.926 360.0 360.0 44.1 360.0 32.6 1.2 9.7 53 !* 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 54 1 C G > 0 0 57 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-126.1 30.9 5.5 -13.6 55 2 C L H > + 0 0 19 49,-0.2 4,-3.6 47,-0.2 5,-0.2 0.959 360.0 37.0 -54.6 -62.2 31.4 8.3 -11.1 56 3 C L H > S+ 0 0 8 46,-0.2 4,-1.7 2,-0.2 5,-0.4 0.951 120.9 45.0 -58.7 -55.0 34.1 10.2 -12.9 57 4 C E H > S+ 0 0 91 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.950 121.4 41.3 -54.5 -50.3 32.7 9.7 -16.4 58 5 C Q H < S+ 0 0 72 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.900 123.2 34.2 -65.6 -47.1 29.2 10.5 -15.2 59 6 C d H < S+ 0 0 11 -4,-3.6 5,-0.4 -5,-0.3 -1,-0.2 0.415 114.0 54.4 -96.1 3.4 29.9 13.4 -12.9 60 7 C e H < S+ 0 0 38 -4,-1.7 -1,-0.2 -3,-0.2 -3,-0.1 0.649 110.7 43.1-106.4 -20.0 32.8 15.2 -14.7 61 8 C H S < S+ 0 0 161 -4,-0.9 2,-0.3 -5,-0.4 -2,-0.1 0.438 128.7 23.1-100.7 -3.0 31.2 15.6 -18.1 62 9 C S S S- 0 0 73 -4,-0.2 2,-0.4 -5,-0.1 -1,-0.3 -0.948 92.8 -95.2-161.9 140.8 27.9 16.7 -16.5 63 10 C I - 0 0 152 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.429 32.0-158.1 -66.3 116.5 26.8 18.2 -13.2 64 11 C d - 0 0 16 -5,-0.4 -1,-0.1 -2,-0.4 -5,-0.0 -0.839 12.6-145.3 -95.3 121.8 25.7 15.7 -10.6 65 12 C S > - 0 0 49 -2,-0.6 4,-1.8 1,-0.1 5,-0.2 -0.196 35.0 -93.1 -75.0 176.1 23.5 17.3 -8.0 66 13 C L H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.877 129.6 53.8 -58.5 -37.8 23.6 16.1 -4.3 67 14 C Y H 4 S+ 0 0 171 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.900 108.4 47.9 -66.0 -38.8 20.7 13.7 -5.2 68 15 C Q H 4 S+ 0 0 77 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.794 108.7 55.7 -71.8 -26.3 22.6 12.2 -8.1 69 16 C L H >< S+ 0 0 10 -4,-1.8 3,-2.2 1,-0.2 -1,-0.2 0.786 90.9 71.7 -75.8 -29.5 25.7 11.8 -5.9 70 17 C E G >< S+ 0 0 81 -4,-1.4 3,-2.3 1,-0.3 -1,-0.2 0.792 82.4 71.9 -56.8 -29.1 23.9 9.7 -3.3 71 18 C N G 3 S+ 0 0 121 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.718 95.2 54.5 -61.0 -18.1 23.7 6.8 -5.7 72 19 C Y G < S+ 0 0 68 -3,-2.2 28,-0.5 -4,-0.1 -1,-0.3 0.228 97.7 84.4-100.8 13.9 27.4 6.5 -5.1 73 20 C f < 0 0 14 -3,-2.3 26,-0.2 1,-0.2 27,-0.1 -0.076 360.0 360.0 -95.3-161.2 27.1 6.2 -1.3 74 21 C N 0 0 153 24,-0.6 25,-0.2 20,-0.1 -1,-0.2 0.849 360.0 360.0 41.5 360.0 26.3 3.3 1.1 75 !* 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 76 1 D F 0 0 234 0, 0.0 2,-1.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 137.0 45.0 19.4 -18.8 77 2 D V > + 0 0 86 1,-0.2 4,-2.4 2,-0.1 3,-0.4 -0.108 360.0 142.3 -76.8 39.1 44.3 17.3 -15.7 78 3 D N H > S+ 0 0 113 -2,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.862 71.5 48.8 -48.3 -44.1 40.5 18.2 -15.7 79 4 D Q H > S+ 0 0 101 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.888 109.6 51.9 -66.7 -38.1 39.5 14.7 -14.6 80 5 D H H > S+ 0 0 103 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.914 114.7 42.4 -64.4 -42.1 42.1 14.7 -11.8 81 6 D L H X S+ 0 0 91 -4,-2.4 4,-1.3 2,-0.2 3,-0.3 0.904 112.1 53.9 -71.8 -40.6 40.8 18.0 -10.5 82 7 D e H X S+ 0 0 29 -4,-2.9 4,-2.5 -5,-0.3 3,-0.4 0.923 105.1 55.0 -59.4 -44.5 37.1 17.0 -11.0 83 8 D G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.838 101.0 58.1 -59.0 -35.5 37.6 13.9 -8.9 84 9 D S H X S+ 0 0 23 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.904 109.8 44.3 -61.2 -41.7 39.0 15.8 -6.0 85 10 D H H X S+ 0 0 140 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.937 110.5 56.2 -68.9 -42.9 35.7 17.8 -5.9 86 11 D L H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.914 106.4 47.8 -56.2 -48.1 33.7 14.7 -6.3 87 12 D V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.886 111.1 51.4 -64.3 -35.4 35.2 12.9 -3.3 88 13 D E H X S+ 0 0 55 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.897 111.2 48.9 -66.7 -37.4 34.7 16.0 -1.1 89 14 D A H X S+ 0 0 27 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.882 110.0 50.1 -68.3 -39.9 31.0 16.1 -2.2 90 15 D L H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.5 0.865 104.5 59.9 -66.1 -34.9 30.5 12.4 -1.5 91 16 D Y H X S+ 0 0 60 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.913 113.6 36.5 -57.0 -45.2 32.0 13.0 2.0 92 17 D L H < S+ 0 0 132 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.913 121.5 45.1 -74.9 -45.3 29.2 15.5 2.7 93 18 D V H < S+ 0 0 26 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.928 118.7 40.2 -66.4 -46.3 26.5 13.7 0.8 94 19 D f H >< S+ 0 0 5 -4,-3.5 3,-1.8 -5,-0.2 -3,-0.2 0.812 79.8 167.3 -76.2 -32.0 27.2 10.2 2.2 95 20 D G G >< S- 0 0 32 -4,-1.3 3,-2.0 -5,-0.5 -1,-0.2 -0.231 71.7 -0.5 54.9-136.9 28.0 11.1 5.8 96 21 D E G 3 S+ 0 0 116 1,-0.3 -45,-0.6 -46,-0.1 -1,-0.3 0.733 125.1 71.6 -56.6 -24.9 28.2 8.1 8.1 97 22 D R G < S- 0 0 90 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.737 88.2-162.4 -65.4 -22.9 27.4 5.8 5.2 98 23 D G < - 0 0 0 -3,-2.0 -24,-0.6 -7,-0.2 2,-0.3 0.022 1.3-129.0 65.0-178.7 30.8 6.3 3.7 99 24 D F E -B 48 0A 0 -51,-3.0 -51,-3.3 -25,-0.2 2,-0.5 -0.990 4.1-120.8-164.1 163.3 31.7 5.5 0.1 100 25 D F E -B 47 0A 118 -28,-0.5 2,-0.6 -2,-0.3 -53,-0.2 -0.945 19.9-156.8-113.4 131.3 34.2 3.8 -2.2 101 26 D Y E +B 46 0A 8 -55,-3.8 -55,-1.6 -2,-0.5 -80,-0.2 -0.941 17.3 170.3-111.5 117.0 36.1 5.8 -4.7 102 27 D T - 0 0 54 -2,-0.6 -46,-0.2 -57,-0.2 -47,-0.2 -0.913 28.9-150.5-129.6 103.9 37.4 3.8 -7.7 103 28 D P S S+ 0 0 39 0, 0.0 2,-0.1 0, 0.0 -59,-0.1 0.501 90.7 7.9 -49.7 -3.0 38.8 5.7 -10.7 104 29 D K 0 0 172 -61,-0.1 -49,-0.2 -48,-0.0 -2,-0.2 -0.120 360.0 360.0-141.5-118.9 37.6 2.8 -12.8 105 30 D T 0 0 157 -2,-0.1 0, 0.0 -51,-0.1 0, 0.0 -0.496 360.0 360.0 -84.8 360.0 35.4 -0.2 -12.1