==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-JUN-08 2VVA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.SJOEBLOM,M.POLENTARUTTI,K.DJINOVIC-CARUGO . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 2 0.8 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 0.8 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 . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 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 2 0 1 1 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 2 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 PARALLEL BRIDGES PER LADDER . 2 3 1 0 2 1 0 1 1 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 1 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 3 X H 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 9.7 3.7 9.9 2 4 X H + 0 0 167 2,-0.0 2,-0.1 7,-0.0 0, 0.0 -0.087 360.0 144.6-129.3 30.2 9.6 0.1 8.7 3 5 X W + 0 0 57 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.347 14.2 130.9 -71.2 157.1 7.5 -1.7 11.3 4 6 X G - 0 0 10 5,-2.8 10,-0.1 2,-0.1 58,-0.1 -0.746 64.8 -82.6-170.5-148.6 5.2 -4.5 10.5 5 7 X Y S S+ 0 0 25 -2,-0.2 5,-0.1 5,-0.2 237,-0.1 -0.152 80.9 117.0-134.8 31.4 4.1 -8.0 11.4 6 8 X G S S- 0 0 33 235,-0.0 4,-0.4 1,-0.0 -2,-0.1 -0.069 84.8 -83.0 -86.6-168.7 6.8 -9.9 9.6 7 9 X K S S+ 0 0 181 1,-0.2 -1,-0.0 2,-0.1 0, 0.0 0.624 124.8 21.9 -70.4 -15.5 9.5 -12.2 10.7 8 10 X H S S+ 0 0 156 5,-0.0 -1,-0.2 4,-0.0 -5,-0.0 0.394 125.1 42.4-136.5 -1.4 11.9 -9.3 11.5 9 11 X N S S+ 0 0 58 -6,-0.0 -5,-2.8 5,-0.0 -2,-0.1 0.094 84.1 129.7-135.8 18.0 9.9 -6.0 12.1 10 12 X G S >> S- 0 0 0 -4,-0.4 3,-2.7 -7,-0.2 4,-0.7 0.081 77.7 -73.2 -78.2-178.8 7.0 -7.4 14.2 11 13 X P G >4 S+ 0 0 26 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.755 126.6 62.0 -47.6 -36.2 5.5 -6.2 17.5 12 14 X E G 34 S+ 0 0 119 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.679 107.8 46.0 -66.0 -16.0 8.5 -7.5 19.6 13 15 X H G X> S+ 0 0 56 -3,-2.7 3,-1.9 1,-0.1 4,-0.5 0.602 86.0 89.7 -97.7 -16.7 10.7 -5.0 17.7 14 16 X W H < + 0 0 29 -4,-2.3 3,-2.5 1,-0.1 -1,-0.2 -0.756 64.6 180.0-129.7 77.8 8.7 3.6 19.6 19 21 X P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.745 75.6 74.6 -56.0 -22.9 9.9 3.3 23.2 20 22 X I G > S+ 0 0 53 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.650 72.0 89.0 -66.1 -10.8 6.3 4.0 24.5 21 23 X A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.741 90.2 46.2 -49.9 -29.6 5.7 0.4 23.3 22 24 X K G < S+ 0 0 139 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 -0.015 95.7 129.9-103.5 26.7 6.8 -0.5 26.9 23 25 X G S < S- 0 0 16 -3,-2.4 3,-0.5 1,-0.1 -3,-0.0 0.060 71.4-101.5 -76.2-175.2 4.7 2.1 28.5 24 26 X E S S+ 0 0 116 1,-0.2 226,-0.3 225,-0.1 227,-0.2 0.491 112.7 36.8 -89.7 -7.6 2.2 2.1 31.4 25 27 X R S S+ 0 0 46 224,-0.1 -1,-0.2 225,-0.1 2,-0.2 -0.232 79.3 153.6-143.4 50.1 -1.0 2.1 29.4 26 28 X Q - 0 0 1 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.480 33.1-103.4 -85.4 150.6 -0.4 -0.1 26.3 27 29 X S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.1 -0.888 77.0 41.8-125.0 157.2 -3.0 -2.0 24.4 28 30 X P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.588 66.3 177.6 -79.8 178.7 -4.3 -4.6 23.7 29 31 X V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.933 35.5 -99.9-137.1 162.0 -4.7 -6.4 27.0 30 32 X D E -a 106 0A 28 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.725 33.3-141.7 -79.5 134.6 -6.2 -9.7 28.2 31 33 X I E -a 107 0A 0 75,-2.8 77,-2.6 -2,-0.4 2,-0.8 -0.906 9.1-156.6-100.1 108.5 -9.6 -9.2 29.7 32 34 X D >> - 0 0 67 -2,-0.7 4,-2.1 75,-0.2 3,-1.7 -0.827 3.4-157.5 -89.7 108.8 -9.9 -11.5 32.8 33 35 X T T 34 S+ 0 0 48 -2,-0.8 -1,-0.2 1,-0.3 222,-0.0 0.689 88.0 56.3 -62.9 -22.2 -13.7 -11.8 33.1 34 36 X H T 34 S+ 0 0 163 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.264 111.4 41.1 -93.0 2.7 -13.4 -12.7 36.8 35 37 X T T <4 S+ 0 0 111 -3,-1.7 -2,-0.2 2,-0.0 -1,-0.1 0.600 89.6 97.9-114.1 -32.0 -11.5 -9.6 37.8 36 38 X A < - 0 0 22 -4,-2.1 2,-0.4 218,-0.1 218,-0.2 -0.378 67.1-146.1 -60.2 128.6 -13.4 -7.0 35.7 37 39 X K E -c 254 0B 147 216,-1.4 218,-2.6 -2,-0.1 2,-0.1 -0.831 14.8-111.1-107.4 138.5 -16.0 -5.4 37.9 38 40 X Y E -c 255 0B 90 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.389 32.6-152.9 -57.8 133.7 -19.5 -4.1 37.1 39 41 X D > - 0 0 34 216,-2.5 3,-1.5 1,-0.1 -1,-0.1 -0.905 15.3-171.0-117.9 106.1 -19.4 -0.3 37.3 40 42 X P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.628 82.4 70.0 -74.0 -4.9 -22.7 1.4 38.1 41 43 X S T 3 S+ 0 0 78 2,-0.1 2,-0.2 40,-0.0 39,-0.0 0.663 72.3 107.2 -82.9 -16.6 -21.3 4.9 37.4 42 44 X L < - 0 0 32 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.471 66.0-141.4 -65.9 128.1 -21.1 4.1 33.7 43 45 X K E -D 80 0B 144 37,-1.5 37,-0.6 -2,-0.2 39,-0.1 -0.396 39.6 -70.1 -80.4 164.2 -23.8 6.1 31.8 44 46 X P E - 0 0 115 0, 0.0 36,-1.0 0, 0.0 2,-0.4 -0.240 51.7-121.8 -53.5 138.6 -25.7 4.6 28.9 45 47 X L E -D 79 0B 31 34,-0.3 2,-0.5 -3,-0.1 34,-0.3 -0.709 24.2-160.2 -82.1 138.8 -23.5 4.0 25.8 46 48 X S E -D 78 0B 47 32,-3.1 32,-2.1 -2,-0.4 2,-0.7 -0.948 11.5-174.2-126.1 114.2 -24.8 5.8 22.7 47 49 X V E -D 77 0B 32 -2,-0.5 2,-0.8 30,-0.2 30,-0.2 -0.920 10.5-176.3-106.8 106.1 -23.7 4.7 19.2 48 50 X S E +D 76 0B 58 28,-2.7 28,-2.3 -2,-0.7 3,-0.2 -0.811 25.6 141.1-114.8 87.3 -25.2 7.2 16.8 49 51 X Y > + 0 0 4 -2,-0.8 3,-2.0 26,-0.2 130,-0.2 0.259 31.4 110.6-111.2 6.4 -24.4 6.2 13.3 50 52 X D T 3 S+ 0 0 108 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.836 87.7 40.0 -54.5 -35.1 -27.6 7.0 11.4 51 53 X Q T 3 S+ 0 0 131 23,-0.7 -1,-0.3 -3,-0.2 24,-0.1 0.185 83.7 146.1-102.4 19.8 -25.9 9.9 9.5 52 54 X A < - 0 0 25 -3,-2.0 2,-0.4 1,-0.1 23,-0.1 -0.195 31.5-161.9 -58.5 137.2 -22.6 8.1 8.9 53 55 X T - 0 0 52 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.838 3.2-165.6-124.9 97.3 -20.9 9.0 5.6 54 56 X S E +E 68 0B 1 -2,-0.4 121,-0.7 122,-0.3 14,-0.3 -0.474 11.6 173.1 -73.6 153.2 -18.3 6.5 4.4 55 57 X L E - 0 0 80 12,-2.9 118,-2.3 1,-0.4 2,-0.3 0.654 49.9 -3.0-128.1 -44.1 -16.0 7.8 1.6 56 58 X R E -EF 67 172B 83 11,-1.1 11,-3.1 116,-0.3 -1,-0.4 -0.981 46.9-137.6-160.1 154.8 -13.1 5.5 0.8 57 59 X I E -EF 66 171B 0 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.996 25.7-170.6-126.5 134.7 -11.3 2.3 1.6 58 60 X L E -EF 65 170B 35 7,-2.1 7,-2.4 -2,-0.4 2,-0.8 -0.992 24.5-143.1-132.6 129.9 -7.5 2.2 1.7 59 61 X N E -E 64 0B 0 110,-2.7 109,-3.2 -2,-0.4 5,-0.2 -0.851 22.1-178.7 -85.9 111.5 -4.9 -0.6 2.0 60 62 X N - 0 0 28 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.297 51.2-101.9 -96.8 9.5 -2.3 1.1 4.1 61 63 X G S S+ 0 0 13 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.389 117.1 53.8 87.9 -8.5 0.1 -1.9 4.2 62 64 X H S S- 0 0 51 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.457 126.3 -30.9-127.9 -17.8 -0.8 -3.0 7.7 63 65 X A S S- 0 0 2 164,-0.1 -3,-2.0 -5,-0.1 -1,-0.6 -0.888 71.3 -91.4-168.0-166.2 -4.6 -3.3 7.4 64 66 X F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.5 -0.987 32.2-150.0-120.5 139.7 -7.4 -1.5 5.4 65 67 X N E -E 58 0B 28 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.7 -0.934 6.8-150.4-109.2 129.0 -9.2 1.5 6.7 66 68 X V E -EG 57 91B 0 25,-2.9 25,-2.0 -2,-0.5 2,-0.3 -0.915 30.3-150.3 -91.6 116.2 -12.8 2.4 5.8 67 69 X E E -EG 56 90B 46 -11,-3.1 -12,-2.9 -2,-0.7 -11,-1.1 -0.724 11.7-159.9 -99.8 142.6 -12.7 6.1 6.0 68 70 X F E -E 54 0B 9 21,-2.4 2,-0.9 -2,-0.3 -14,-0.2 -0.808 31.5 -99.9-118.2 156.4 -15.6 8.5 7.0 69 71 X D + 0 0 40 -16,-2.8 5,-0.3 -2,-0.3 -16,-0.3 -0.690 42.4 170.4 -71.0 107.8 -16.4 12.1 6.6 70 72 X D + 0 0 44 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.008 42.5 111.0-110.8 29.6 -15.5 13.5 9.9 71 73 X S S S+ 0 0 81 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.539 91.4 10.6 -76.5 -11.6 -15.8 17.2 8.9 72 74 X Q S S- 0 0 118 -3,-0.3 2,-2.4 3,-0.1 3,-0.3 -0.941 102.6 -74.2-154.7 174.3 -18.9 17.4 11.2 73 75 X D S S+ 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.245 74.9 133.4 -75.1 60.7 -20.7 15.3 13.9 74 76 X K S S+ 0 0 45 -2,-2.4 -23,-0.7 -5,-0.3 2,-0.4 0.754 75.2 19.1 -80.6 -36.1 -22.2 12.7 11.4 75 77 X A S S+ 0 0 5 -3,-0.3 13,-2.8 -24,-0.1 2,-0.3 -0.933 84.0 170.4-140.6 112.4 -21.4 9.5 13.2 76 78 X V E -DH 48 87B 16 -28,-2.3 -28,-2.7 -2,-0.4 2,-0.4 -0.917 30.4-146.4-133.9 154.9 -20.6 9.8 16.9 77 79 X L E +DH 47 86B 0 9,-2.5 9,-2.3 -2,-0.3 2,-0.3 -0.976 31.5 158.6-116.1 131.8 -20.0 7.7 20.0 78 80 X K E +D 46 0B 90 -32,-2.1 -32,-3.1 -2,-0.4 7,-0.1 -0.914 35.2 30.6-140.8 167.8 -21.1 9.2 23.4 79 81 X G E > S+D 45 0B 18 5,-0.5 3,-2.2 3,-0.4 -34,-0.3 -0.251 73.0 81.1 79.6-164.1 -21.9 8.0 26.9 80 82 X G E 3 S-D 43 0B 6 -36,-1.0 -37,-1.5 -37,-0.6 -1,-0.2 -0.439 122.4 -18.8 62.2-129.2 -20.5 5.0 28.7 81 83 X P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.548 117.5 106.9 -82.0 -6.4 -17.2 6.0 30.2 82 84 X L < - 0 0 12 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.4 -0.518 55.5-154.0 -86.4 143.9 -16.9 9.0 27.8 83 85 X D - 0 0 132 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.939 68.0 -11.9-103.5 130.7 -17.3 12.7 28.5 84 86 X G S S- 0 0 46 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.388 100.6 -36.3 81.9-157.8 -18.4 14.6 25.4 85 87 X T - 0 0 23 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.909 40.8-164.5-120.7 131.1 -18.6 13.6 21.8 86 88 X Y E -HI 77 122B 4 -9,-2.3 -9,-2.5 -2,-0.4 2,-0.4 -0.960 16.0-143.5-118.3 124.7 -16.3 11.4 19.8 87 89 X R E -HI 76 121B 43 34,-2.8 34,-2.1 -2,-0.5 2,-0.3 -0.722 18.3-117.0 -93.0 130.5 -16.5 11.4 16.0 88 90 X L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.1 -0.457 38.5 164.9 -61.7 123.6 -16.0 8.3 13.8 89 91 X I E - 0 0 34 30,-2.8 -21,-2.4 1,-0.4 2,-0.3 0.767 59.1 -25.9-107.5 -39.1 -13.0 8.7 11.6 90 92 X Q E -GI 67 119B 30 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.986 46.6-141.9-163.9 158.2 -12.3 5.1 10.3 91 93 X F E +GI 66 118B 0 -25,-2.0 -25,-2.9 -2,-0.3 2,-0.3 -0.964 23.7 163.7-122.7 158.8 -12.7 1.4 11.0 92 94 X H E - I 0 117B 21 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.945 22.4-128.5-155.7 173.3 -10.3 -1.4 10.4 93 95 X F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.832 0.2-150.3-126.0 161.6 -9.7 -5.0 11.4 94 96 X H E + I 0 115B 3 21,-1.9 21,-2.2 -2,-0.3 2,-0.3 -0.983 30.1 169.0-126.5 134.3 -7.0 -7.3 12.7 95 97 X W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.7 -0.947 23.8-119.3-147.6 167.2 -7.0 -11.0 11.7 96 98 X G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.444 25.4-116.0-103.4 172.9 -5.1 -14.2 11.7 97 99 X S S S+ 0 0 45 142,-0.2 2,-0.3 -2,-0.2 5,-0.1 0.697 107.6 19.5 -74.8 -22.6 -3.7 -16.7 9.3 98 100 X L S > S- 0 0 124 3,-0.2 3,-1.4 15,-0.1 -2,-0.2 -0.907 93.4-101.4-140.5 167.4 -6.0 -19.3 10.8 99 101 X D T 3 S+ 0 0 66 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.669 109.1 73.7 -70.0 -17.6 -9.2 -18.9 12.9 100 102 X G T 3 S+ 0 0 62 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.384 106.0 25.2 -80.3 5.0 -7.4 -19.6 16.2 101 103 X Q < + 0 0 64 -3,-1.4 -5,-0.6 12,-0.1 -3,-0.2 -0.967 68.3 98.8-156.0 166.9 -5.7 -16.3 16.3 102 104 X G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.017 56.1 104.0 143.9 -37.3 -6.3 -12.8 15.0 103 105 X S - 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