==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE/ANTIBIOTIC 20-SEP-00 1FVM . COMPND 2 MOLECULE: VANCOMYCIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.NITANAI,K.KAKOI,K.AOKI . 60 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 53.3 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 . 20 33.3 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 . 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+3), 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+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 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 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 . 10 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 1 0 0 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 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 X 0 0 161 0, 0.0 50,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-151.6 -2.7 5.4 31.1 2 2 A X + 0 0 172 49,-2.5 24,-0.0 2,-0.1 0, 0.0 0.541 360.0 87.1 114.8 11.1 1.0 4.9 32.0 3 3 A N S S- 0 0 30 1,-0.2 2,-0.4 23,-0.1 24,-0.1 0.875 71.2-137.0-117.3 -62.0 1.4 1.9 29.6 4 4 A X + 0 0 39 22,-0.1 47,-2.0 8,-0.0 2,-0.3 -0.986 29.1 152.3 127.7-140.2 2.4 2.5 25.9 5 5 A X B -AB 13 50A 0 8,-2.5 8,-2.5 -2,-0.4 45,-0.2 -0.945 40.5-145.7 146.9-155.4 1.2 1.1 22.7 6 6 A X 0 0 68 43,-0.7 44,-0.2 -2,-0.3 -1,-0.2 0.529 360.0 360.0-101.9 148.8 0.8 1.6 19.7 7 7 A X 0 0 84 42,-2.0 43,-0.1 -3,-0.1 -2,-0.0 0.604 360.0 360.0 -95.9 360.0 -2.4 -0.2 18.8 8 !* 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 9 1 B X 0 0 152 0, 0.0 46,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0-146.3 11.7 -2.6 16.2 10 2 B X + 0 0 165 45,-2.7 32,-0.0 2,-0.1 0, 0.0 0.525 360.0 77.9 118.2 10.3 9.1 -0.3 14.9 11 3 B N S S- 0 0 33 1,-0.2 2,-0.4 31,-0.1 31,-0.1 0.818 76.7-130.4-126.8 -58.4 6.3 -1.2 17.4 12 4 B X + 0 0 42 30,-0.1 43,-2.3 -8,-0.0 2,-0.3 -0.998 31.0 156.1 133.2-133.8 6.4 0.3 20.9 13 5 B X B -AC 5 54A 1 -8,-2.5 -8,-2.5 -2,-0.4 41,-0.2 -0.956 38.4-145.2 144.1-153.6 6.0 -1.3 24.3 14 6 B X 0 0 49 39,-0.7 40,-0.2 -2,-0.3 -1,-0.2 0.544 360.0 360.0-101.8 150.1 6.7 -0.9 27.2 15 7 B X 0 0 72 38,-2.4 39,-0.1 -3,-0.1 -11,-0.0 0.606 360.0 360.0 -95.4 360.0 7.3 -4.3 28.5 16 !* 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 17 1 C X 0 0 190 0, 0.0 42,-0.0 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0-136.0 -18.8 -5.9 18.5 18 2 C X + 0 0 165 41,-2.6 0, 0.0 2,-0.1 0, 0.0 0.494 360.0 82.0 127.3 6.9 -15.7 -8.0 17.7 19 3 C N - 0 0 107 1,-0.2 2,-0.4 10,-0.0 39,-0.0 0.885 69.6-140.8-112.6 -64.9 -12.9 -5.7 18.6 20 4 C X + 0 0 45 8,-0.0 39,-2.4 11,-0.0 2,-0.3 -1.000 28.6 155.2 128.2-134.2 -11.8 -5.4 22.3 21 5 C X B -DE 29 58B 40 8,-2.3 8,-2.4 -2,-0.4 37,-0.1 -0.958 43.8-142.2 151.0-149.8 -10.7 -2.3 24.1 22 6 C X 0 0 63 35,-0.7 36,-0.2 -2,-0.3 -1,-0.2 0.531 360.0 360.0-103.8 144.8 -10.6 -1.1 26.9 23 7 C X 0 0 148 34,-2.4 35,-0.1 -3,-0.2 -2,-0.0 0.666 360.0 360.0 -92.3 360.0 -11.5 2.5 26.2 24 !* 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 25 1 D X 0 0 34 0, 0.0 38,-0.0 0, 0.0 -12,-0.0 0.000 360.0 360.0 360.0-116.9 0.9 -3.8 29.5 26 2 D X + 0 0 116 37,-2.7 -23,-0.1 2,-0.1 -22,-0.1 0.487 360.0 89.9 112.8 0.6 -2.4 -2.5 30.9 27 3 D N - 0 0 2 1,-0.2 2,-0.4 -24,-0.1 23,-0.0 0.932 68.9-138.8-102.9 -62.5 -4.2 -1.8 27.6 28 4 D X + 0 0 38 -8,-0.0 35,-2.4 -5,-0.0 2,-0.3 -0.995 29.3 159.9 129.0-128.6 -6.3 -4.6 26.0 29 5 D X B -DF 21 62B 25 -8,-2.4 -8,-2.3 -2,-0.4 33,-0.2 -0.959 41.3-142.1 147.2-152.3 -6.4 -5.4 22.4 30 6 D X 0 0 58 31,-0.7 32,-0.2 -2,-0.3 -1,-0.2 0.531 360.0 360.0-105.5 149.3 -7.1 -7.6 20.5 31 7 D X 0 0 72 30,-2.3 31,-0.1 -3,-0.2 40,-0.0 0.621 360.0 360.0 -91.4 360.0 -4.5 -7.4 17.8 32 !* 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 33 1 E X 0 0 182 0, 0.0 34,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.0 15.5 -19.0 30.9 34 2 E X + 0 0 173 33,-2.6 0, 0.0 2,-0.1 0, 0.0 0.516 360.0 79.7 124.3 8.5 12.0 -18.1 32.1 35 3 E N S S- 0 0 81 1,-0.2 2,-0.4 10,-0.0 31,-0.0 0.829 70.8-138.2-114.7 -71.3 11.3 -14.8 30.3 36 4 E X + 0 0 43 8,-0.0 31,-2.3 11,-0.0 2,-0.3 -0.978 29.1 156.5 138.4-130.2 10.3 -14.8 26.5 37 5 E X B -GH 45 66B 57 8,-2.4 8,-2.1 -2,-0.4 29,-0.2 -0.962 42.9-140.6 149.7-145.1 11.5 -12.5 23.8 38 6 E X 0 0 56 27,-0.7 28,-0.2 -2,-0.3 -1,-0.2 0.581 360.0 360.0-101.9 147.0 11.8 -12.5 20.8 39 7 E X 0 0 199 26,-2.8 27,-0.1 -3,-0.2 -2,-0.0 0.648 360.0 360.0 -94.4 360.0 15.1 -10.8 20.5 40 !* 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 41 1 F X 0 0 51 0, 0.0 30,-0.0 0, 0.0 -36,-0.0 0.000 360.0 360.0 360.0-117.6 2.3 -5.5 17.6 42 2 F X + 0 0 124 29,-2.3 -31,-0.1 2,-0.1 -30,-0.1 0.510 360.0 87.6 123.0 4.0 5.6 -7.2 16.6 43 3 F N - 0 0 3 1,-0.2 2,-0.4 -32,-0.1 11,-0.0 0.921 66.7-141.0-105.1 -68.3 7.3 -7.7 20.1 44 4 F X + 0 0 43 -5,-0.0 27,-1.9 -8,-0.0 2,-0.3 -0.987 26.9 160.5 131.9-127.4 6.6 -10.9 22.1 45 5 F X B -GI 37 70B 14 -8,-2.1 -8,-2.4 -2,-0.4 25,-0.1 -0.963 42.7-139.3 146.5-153.8 6.2 -11.2 25.7 46 6 F X 0 0 61 23,-0.7 24,-0.2 -2,-0.3 -1,-0.2 0.534 360.0 360.0-100.2 150.8 5.0 -13.0 27.8 47 7 F X 0 0 79 22,-2.2 23,-0.1 -3,-0.2 -2,-0.0 0.653 360.0 360.0 -97.0 360.0 3.5 -10.5 30.2 48 !* 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 49 1 G X 0 0 264 0, 0.0 -42,-2.0 0, 0.0 -43,-0.7 0.000 360.0 360.0 360.0 154.5 -3.5 4.9 19.8 50 2 G X B B 5 0A 32 -44,-0.2 -45,-0.2 -45,-0.2 0, 0.0 -0.925 360.0 360.0 149.1-163.8 -2.3 4.1 23.4 51 3 G X 0 0 30 -47,-2.0 -49,-2.5 -2,-0.3 -46,-0.1 0.436 360.0 360.0 153.6 360.0 -1.0 6.1 26.4 52 !* 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 53 1 H X 0 0 278 0, 0.0 -38,-2.4 0, 0.0 -39,-0.7 0.000 360.0 360.0 360.0 150.3 11.8 -2.0 27.4 54 2 H X B C 13 0A 36 -40,-0.2 -41,-0.2 -41,-0.2 -11,-0.0 -0.919 360.0 360.0 143.8-166.4 10.5 -2.1 23.7 55 3 H X 0 0 28 -43,-2.3 -45,-2.7 -2,-0.3 -42,-0.1 0.401 360.0 360.0 155.9 360.0 11.3 -0.2 20.5 56 !* 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 57 1 I X 0 0 274 0, 0.0 -34,-2.4 0, 0.0 -35,-0.7 0.000 360.0 360.0 360.0 137.3 -15.5 -0.1 28.1 58 2 I X B E 21 0B 47 -36,-0.2 -37,-0.2 -37,-0.1 0, 0.0 -0.990 360.0 360.0 148.3-147.5 -15.5 -1.8 24.6 59 3 I X 0 0 29 -39,-2.4 -41,-2.6 -2,-0.3 -38,-0.2 0.402 360.0 360.0 143.7 360.0 -16.7 -5.1 23.1 60 !* 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 61 1 J X 0 0 217 0, 0.0 -30,-2.3 0, 0.0 -31,-0.7 0.000 360.0 360.0 360.0 126.1 -3.2 -11.1 21.2 62 2 J X B FJ 29 70B 1 8,-2.0 8,-1.2 -32,-0.2 -33,-0.2 -0.956 360.0 360.0 144.7-161.7 -2.6 -8.0 23.5 63 3 J X 0 0 1 -35,-2.4 -37,-2.7 -2,-0.3 -34,-0.2 0.408 360.0 360.0 152.5 360.0 -2.5 -7.4 27.3 64 !* 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 65 1 K X 0 0 236 0, 0.0 -26,-2.8 0, 0.0 -27,-0.7 0.000 360.0 360.0 360.0 135.4 15.5 -15.9 19.8 66 2 K X B H 37 0B 40 -28,-0.2 -29,-0.2 -29,-0.2 0, 0.0 -0.987 360.0 360.0 151.0-154.8 14.8 -15.9 23.6 67 3 K X 0 0 28 -31,-2.3 -33,-2.6 -2,-0.3 -30,-0.1 0.426 360.0 360.0 145.8 360.0 13.5 -18.4 26.2 68 !* 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 69 1 L X 0 0 224 0, 0.0 -22,-2.2 0, 0.0 -23,-0.7 0.000 360.0 360.0 360.0 133.9 -0.1 -12.5 27.2 70 2 L X B IJ 45 62B 1 -8,-1.2 -8,-2.0 -24,-0.2 -25,-0.2 -0.978 360.0 360.0 153.8-163.4 1.7 -10.4 24.5 71 3 L X 0 0 1 -27,-1.9 -29,-2.3 -2,-0.3 -26,-0.1 0.382 360.0 360.0 157.1 360.0 1.8 -9.9 20.6