==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 10-OCT-96 1XGL . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.X.HUA,S.N.GOZANI,R.E.CHANCE,J.A.HOFFMANN,B.H.FRANK, . 51 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 45.1 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 . 0 0.0 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 25.5 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+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 0 0 0 0 0 0 1 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 113 0, 0.0 2,-0.2 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0-177.8 -7.6 -6.1 0.7 2 2 A I - 0 0 69 13,-0.1 2,-0.2 45,-0.1 45,-0.1 -0.694 360.0-126.6-118.8 170.3 -7.0 -2.4 1.5 3 3 A V + 0 0 119 -2,-0.2 -1,-0.0 1,-0.1 6,-0.0 -0.560 53.9 102.3-110.4 175.5 -7.5 1.0 -0.2 4 4 A E >>> + 0 0 9 -2,-0.2 4,-1.0 7,-0.1 3,-0.8 -0.383 39.7 166.1 146.2 -57.0 -5.5 4.1 -1.1 5 5 A Q G >45 + 0 0 85 1,-0.2 2,-0.7 2,-0.1 3,-0.6 0.260 62.6 0.1 40.6-171.6 -4.7 4.2 -4.9 6 6 A a G 345S- 0 0 32 1,-0.2 -1,-0.2 2,-0.1 22,-0.1 0.324 125.5 -58.6 -11.0 -31.4 -3.3 7.2 -6.9 7 7 A b G <45S+ 0 0 70 -3,-0.8 -1,-0.2 -2,-0.7 -2,-0.1 0.396 93.3 133.2 128.5 73.6 -3.2 9.7 -3.9 8 8 A T T <<5S+ 0 0 115 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.613 81.2 5.4-115.5 -31.3 -6.8 9.7 -2.8 9 9 A S S S+ 0 0 64 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.635 98.0 59.6 -97.3 -27.4 4.4 3.6 0.1 14 14 A Y H > S+ 0 0 184 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.777 104.2 53.9 -72.5 -26.1 4.5 2.2 3.6 15 15 A Q H 4 S+ 0 0 24 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.767 102.5 55.2 -78.4 -28.0 0.8 1.5 2.9 16 16 A L H >4 S+ 0 0 6 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.766 100.1 61.6 -77.0 -23.6 1.8 -0.4 -0.2 17 17 A E H >X S+ 0 0 74 -4,-1.0 4,-2.5 1,-0.2 3,-1.6 0.852 87.4 72.6 -67.7 -33.1 4.0 -2.5 2.0 18 18 A N T 3< S+ 0 0 98 -4,-0.7 -1,-0.2 3,-0.3 -2,-0.2 0.708 79.8 78.8 -52.9 -23.6 0.9 -3.7 3.9 19 19 A Y T <4 S- 0 0 30 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.817 121.2 -4.5 -57.6 -37.8 0.1 -5.8 0.8 20 20 A c T <4 0 0 36 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.553 360.0 360.0-129.6 -27.7 2.5 -8.6 1.6 21 21 A N < 0 0 148 -4,-2.5 -3,-0.3 -5,-0.1 -4,-0.1 0.625 360.0 360.0-119.3 360.0 4.4 -7.4 4.8 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 0 153 0, 0.0 2,-0.2 0, 0.0 -11,-0.2 0.000 360.0 360.0 360.0 128.9 3.2 9.6 2.8 24 2 B V - 0 0 48 -13,-1.7 2,-0.2 -14,-0.1 4,-0.1 -0.712 360.0-129.0-121.8 172.7 5.0 11.5 -0.0 25 3 B N + 0 0 162 -2,-0.2 2,-0.2 2,-0.0 -14,-0.0 -0.545 68.3 104.5-121.8 62.5 4.5 14.6 -2.2 26 4 B Q S S- 0 0 124 -2,-0.2 2,-0.5 -15,-0.1 -2,-0.0 -0.517 83.7 -90.2-125.8-166.6 5.0 13.3 -5.7 27 5 B H + 0 0 180 -2,-0.2 2,-1.2 2,-0.0 5,-0.1 -0.561 57.6 159.3-108.9 62.5 2.8 12.3 -8.8 28 6 B L + 0 0 11 -2,-0.5 2,-0.3 -22,-0.1 -4,-0.1 -0.644 5.7 147.2 -90.2 83.9 2.2 8.6 -7.9 29 7 B a S S- 0 0 84 -2,-1.2 2,-0.6 -22,-0.0 -1,-0.1 -0.477 76.9 -53.9-121.1 66.3 -0.9 7.5 -9.8 30 8 B G S > S+ 0 0 9 -2,-0.3 4,-2.7 1,-0.0 5,-0.3 -0.619 120.7 77.6 107.2 -69.3 -0.6 3.8 -10.7 31 9 B S H > S+ 0 0 79 -2,-0.6 4,-1.4 1,-0.3 -3,-0.1 0.784 110.7 29.7 -39.4 -39.7 2.8 3.4 -12.6 32 10 B H H > S+ 0 0 94 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.709 114.9 57.2 -96.5 -29.0 4.7 3.6 -9.3 33 11 B L H > S+ 0 0 12 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.806 114.2 45.1 -74.1 -25.7 2.1 2.1 -6.9 34 12 B V H X S+ 0 0 40 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.955 114.9 43.4 -79.9 -56.3 2.3 -0.9 -9.3 35 13 B E H X S+ 0 0 121 -4,-1.4 4,-1.3 -5,-0.3 -2,-0.2 0.864 120.5 45.9 -60.0 -31.4 6.1 -1.1 -9.7 36 14 B A H X S+ 0 0 27 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.944 111.8 46.3 -77.1 -48.8 6.3 -0.6 -5.9 37 15 B L H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.917 115.8 48.4 -61.4 -39.5 3.7 -3.0 -4.6 38 16 B Y H X S+ 0 0 72 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.848 108.6 53.1 -69.4 -33.7 5.0 -5.6 -7.0 39 17 B L H < S+ 0 0 122 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.781 116.7 40.4 -71.8 -26.6 8.7 -4.9 -5.8 40 18 B V H < S+ 0 0 44 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.870 118.6 42.7 -89.1 -41.1 7.5 -5.5 -2.1 41 19 B c H < S- 0 0 14 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.910 85.9-141.4 -73.6 -45.5 5.1 -8.4 -2.5 42 20 B G S < S- 0 0 54 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.715 70.0 -64.0 85.0 22.1 7.1 -10.6 -4.9 43 21 B E S S+ 0 0 121 -5,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.951 94.9 148.9 60.1 56.6 3.8 -11.5 -6.6 44 22 B R - 0 0 188 1,-0.1 -1,-0.2 -6,-0.0 -2,-0.0 -0.957 69.9 -49.7-118.8 135.4 2.3 -13.2 -3.6 45 23 B G S S+ 0 0 86 -2,-0.4 2,-0.2 1,-0.0 -1,-0.1 0.383 89.5 135.6 0.2 63.8 -1.5 -13.1 -2.9 46 24 B F - 0 0 46 -45,-0.0 2,-0.3 2,-0.0 -26,-0.0 -0.519 47.6-116.5-114.9-173.5 -2.1 -9.2 -3.3 47 25 B F + 0 0 73 -2,-0.2 -45,-0.1 1,-0.1 -28,-0.0 -0.880 67.4 89.5-126.8 159.2 -4.9 -7.3 -5.2 48 26 B Y + 0 0 84 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.634 37.4 142.7 117.0 65.9 -5.1 -4.9 -8.3 49 27 B T - 0 0 110 2,-0.0 -2,-0.0 -3,-0.0 0, 0.0 -0.353 55.8-126.9-120.3 51.2 -5.5 -7.2 -11.3 50 28 B P - 0 0 89 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.484 25.5-166.0 -19.7 100.9 -7.9 -5.0 -13.4 51 29 B K 0 0 209 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.850 360.0 360.0 -94.9 114.3 -10.8 -7.3 -14.3 52 30 B T 0 0 177 -2,-0.7 0, 0.0 0, 0.0 0, 0.0 -0.492 360.0 360.0-118.9 360.0 -12.8 -5.5 -17.1