DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
HEADER HYDROLASE 12-MAR-14 2MM8 .
COMPND MOL_ID: 1; MOLECULE: UREASE; CHAIN: A; FRAGMENT: UNP RESIDUES 230-321; .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; ORGANISM_COMMON: .
AUTHOR O.DOBROVOLSKA,F.LOPEZ,S.CIURLI,B.ZAMBELLI,C.CARLINI .
90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
9814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
17 18.9 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 .
1 1.1 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 .
6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
2 2.2 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 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 .
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 CHAIN AUTHCHAIN
1 4 A V 0 0 104 0, 0.0 15,-0.0 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 73.3 22.3 87.9 42.8 A A
2 5 A N - 0 0 122 20,-0.1 20,-0.0 0, 0.0 0, 0.0 0.605 360.0 -18.9-132.7 -45.0 22.7 84.1 42.2 A A
3 6 A E - 0 0 170 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.524 64.1-172.0-137.9 -73.1 19.3 82.3 41.7 A A
4 7 A A - 0 0 38 2,-0.1 3,-0.3 3,-0.0 12,-0.0 0.907 15.5-150.1 60.1 118.7 16.0 84.1 42.8 A A
5 8 A N S S+ 0 0 136 1,-0.2 -1,-0.0 2,-0.0 0, 0.0 0.944 91.4 39.2 -73.8 -52.5 12.6 82.3 42.8 A A
6 9 A C S S- 0 0 91 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.190 94.0-131.7 -97.0 13.0 10.1 85.2 42.2 A A
7 10 A K S S+ 0 0 184 -3,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.684 99.8 42.6 41.8 34.4 12.2 87.3 39.6 A A
8 11 A A S >> S+ 0 0 47 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.201 81.0 95.5-163.2 -31.2 11.6 90.6 41.6 A A
9 12 A A G >4 S+ 0 0 35 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.778 79.7 61.2 -49.9 -39.7 12.0 89.7 45.3 A A
10 13 A M G 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.152 116.8 33.0 -72.7 15.9 15.8 90.8 45.4 A A
11 14 A E G <4 S+ 0 0 169 -3,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.430 83.0 103.7-144.1 -11.5 14.6 94.4 44.5 A A
12 15 A I S << S- 0 0 118 -4,-0.8 -2,-0.1 -3,-0.6 -3,-0.1 0.806 113.7 -37.4 -54.0 -39.4 11.1 94.8 46.2 A A
13 16 A V S S- 0 0 125 -4,-0.4 -3,-0.1 2,-0.1 -1,-0.1 0.275 118.6 -29.1-146.2 -61.8 12.6 97.0 48.9 A A
14 17 A C S S+ 0 0 122 -5,-0.2 2,-0.3 0, 0.0 -4,-0.1 -0.234 85.6 129.0-162.5 56.8 16.1 95.9 50.2 A A
15 18 A R + 0 0 147 -6,-0.3 2,-0.3 4,-0.1 4,-0.1 -0.939 22.4 173.2-114.1 146.3 16.8 92.1 49.8 A A
16 19 A R - 0 0 152 2,-0.4 5,-0.1 -2,-0.3 6,-0.1 -0.898 65.1 -62.3-148.6 120.7 19.7 90.1 48.2 A A
17 20 A E S S- 0 0 62 -2,-0.3 6,-0.1 1,-0.1 3,-0.1 -0.214 109.8 -38.1 40.3-105.3 19.9 86.3 48.6 A A
18 21 A F S S- 0 0 193 4,-1.8 2,-0.4 1,-0.3 -2,-0.4 0.780 129.1 -6.7 -97.2 -69.3 20.2 86.0 52.4 A A
19 22 A G S > S- 0 0 15 3,-0.3 2,-1.6 4,-0.2 3,-0.9 -0.998 106.8 -55.7-134.8 132.0 22.5 89.0 53.3 A A
20 23 A H T 3 S+ 0 0 140 -2,-0.4 -3,-0.1 1,-0.2 5,-0.1 -0.157 127.3 7.9 44.1 -70.7 24.4 91.5 51.0 A A
21 24 A K T 3 S- 0 0 117 -2,-1.6 -1,-0.2 3,-0.3 4,-0.1 0.837 132.9 -44.0-101.4 -56.5 26.5 89.1 48.8 A A
22 25 A E S < S- 0 0 80 -3,-0.9 -4,-1.8 2,-0.2 -3,-0.3 0.432 115.4 -15.5-144.9 -70.4 25.4 85.5 49.6 A A
23 26 A E S S- 0 0 152 -5,-0.2 -4,-0.2 -6,-0.1 3,-0.0 0.712 102.7 -74.3-118.9 -69.5 24.9 84.5 53.3 A A
24 27 A E S S+ 0 0 133 -6,-0.1 2,-0.4 -4,-0.1 -3,-0.3 -0.000 99.0 9.8-152.6 -74.6 26.5 87.1 55.6 A A
25 28 A D + 0 0 119 -4,-0.1 -5,-0.0 1,-0.1 0, 0.0 -0.965 59.0 123.7-125.9 125.7 30.4 87.1 55.9 A A
26 29 A A + 0 0 106 -2,-0.4 -1,-0.1 -3,-0.0 3,-0.0 -0.248 62.5 79.4-163.3 55.8 33.0 85.1 53.8 A A
27 30 A S S S+ 0 0 100 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.320 84.5 51.6-142.3 0.4 35.3 88.0 52.4 A A
28 31 A E + 0 0 156 1,-0.1 -3,-0.0 3,-0.0 0, 0.0 -0.636 66.4 59.8-138.1 176.3 37.6 88.9 55.4 A A
29 32 A G S S+ 0 0 77 -2,-0.2 2,-0.2 -3,-0.0 -1,-0.1 0.456 98.7 53.1 74.1 3.4 40.1 87.8 58.1 A A
30 33 A V + 0 0 129 -3,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.839 57.2 150.6-162.8 134.6 42.8 86.2 55.8 A A
31 34 A T - 0 0 137 -2,-0.2 2,-0.4 2,-0.1 -3,-0.0 -0.987 37.4-129.2-150.6 161.8 44.8 87.3 52.6 A A
32 35 A T + 0 0 155 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.955 59.2 107.4-101.3 134.6 48.0 86.9 50.6 A A
33 36 A G - 0 0 64 -2,-0.4 -2,-0.1 0, 0.0 0, 0.0 -0.938 58.8-126.9 170.3 169.0 49.6 90.3 49.8 A A
34 37 A D + 0 0 81 -2,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.765 24.2 172.2-139.3 85.9 52.5 92.8 50.5 A A
35 38 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.817 85.4 27.4 -68.8 -30.7 51.1 96.3 51.3 A A
36 39 A D S S+ 0 0 142 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.622 115.4 61.7-107.0 -18.3 54.6 97.9 52.3 A A
37 40 A C > + 0 0 59 1,-0.1 2,-1.8 2,-0.0 3,-1.2 -0.666 54.3 173.7-113.2 74.0 57.0 95.7 50.2 A A
38 41 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.069 79.1 51.3 -72.6 37.7 56.1 96.3 46.4 A A
39 42 A F T 3 + 0 0 134 -2,-1.8 -2,-0.0 2,-0.1 0, 0.0 0.119 66.2 121.7-160.0 20.9 59.2 94.1 45.4 A A
40 43 A T < - 0 0 55 -3,-1.2 2,-0.0 1,-0.1 0, 0.0 0.815 45.7-167.0 -66.7 -32.5 58.9 90.8 47.4 A A
41 44 A K - 0 0 168 2,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.199 50.6 -25.7 56.3-167.2 58.9 88.3 44.4 A A
42 45 A A S S- 0 0 82 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.185 102.0 -52.4 -60.7 165.4 57.9 84.7 45.3 A A
43 46 A I - 0 0 133 1,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.124 60.2-127.2 -48.4 118.9 58.4 83.2 48.9 A A
44 47 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.467 16.4-163.5 -68.9 140.4 62.0 83.7 50.0 A A
45 48 A R > + 0 0 165 -2,-0.2 3,-2.2 1,-0.1 5,-0.1 -0.783 12.9 179.4-122.6 75.0 63.8 80.5 51.2 A A
46 49 A E T 3 S+ 0 0 142 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.679 79.4 42.1 -71.1 -18.3 66.6 82.2 53.1 A A
47 50 A E T 3 S+ 0 0 183 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.185 123.5 41.5-100.4 6.2 68.3 78.9 54.3 A A
48 51 A Y < + 0 0 165 -3,-2.2 3,-0.2 1,-0.0 -1,-0.2 -0.273 62.0 137.1-152.4 50.2 67.7 77.3 50.9 A A
49 52 A A >> + 0 0 36 -3,-0.3 3,-2.4 1,-0.2 4,-2.3 0.375 34.4 122.9 -78.6 5.3 68.5 80.0 48.2 A A
50 53 A N T 34 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.274 72.1 44.8 -54.8 -0.3 70.3 77.2 46.3 A A
51 54 A K T 34 S+ 0 0 194 -3,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.218 125.8 21.8-128.1 6.1 68.2 77.7 43.1 A A
52 55 A Y T <4 S+ 0 0 213 -3,-2.4 -2,-0.2 3,-0.1 -3,-0.1 0.502 96.5 87.1-146.6 -40.4 68.1 81.5 42.8 A A
53 56 A G S < S- 0 0 31 -4,-2.3 -1,-0.1 1,-0.1 0, 0.0 -0.285 73.2-124.6 -74.8 158.6 71.1 83.3 44.5 A A
54 57 A P S S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.562 89.2 94.0 -74.1 -9.8 74.6 84.0 43.1 A A
55 58 A T + 0 0 21 -6,-0.1 -3,-0.1 17,-0.1 -2,-0.0 -0.430 67.3 38.1 -74.8 160.3 75.9 82.1 46.2 A A
56 59 A I S S+ 0 0 56 1,-0.1 15,-0.0 -2,-0.1 18,-0.0 0.493 81.8 54.5 70.9 143.8 76.7 78.3 46.2 A A
57 60 A G S S- 0 0 29 1,-0.1 2,-2.0 2,-0.0 -1,-0.1 0.196 95.5 -55.8 89.1 156.3 78.4 76.2 43.4 A A
58 61 A D + 0 0 38 1,-0.2 -1,-0.1 2,-0.1 13,-0.1 -0.470 69.3 138.8 -68.0 80.6 81.6 76.3 41.3 A A
59 62 A K + 0 0 100 -2,-2.0 9,-0.6 11,-0.2 8,-0.3 0.206 55.5 90.9 -86.0 4.9 81.3 79.8 39.8 A A
60 63 A I S S- 0 0 28 10,-0.2 8,-0.7 7,-0.1 7,-0.4 0.999 104.7 -25.6 -82.6 -74.7 85.0 80.0 40.6 A A
61 64 A R S S+ 0 0 167 7,-0.1 -1,-0.1 6,-0.1 -2,-0.1 0.578 136.6 43.2-121.9 -20.4 87.5 78.9 37.8 A A
62 65 A L S S+ 0 0 107 -4,-0.0 -3,-0.1 2,-0.0 -4,-0.1 0.313 94.7 99.3-113.0 -0.5 85.5 76.4 35.7 A A
63 66 A G S S- 0 0 36 1,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.094 79.0-111.4 -78.4-176.3 82.3 78.4 35.5 A A
64 67 A D S S+ 0 0 164 1,-0.1 -4,-0.1 2,-0.1 -5,-0.0 -0.525 94.0 63.5-122.3 53.5 80.9 80.7 32.7 A A
65 68 A T S S- 0 0 71 -2,-0.3 -1,-0.1 -6,-0.1 -5,-0.1 0.494 87.3-121.8-150.9 -18.0 81.0 84.3 34.2 A A
66 69 A D + 0 0 161 -3,-0.2 -6,-0.1 -7,-0.1 -5,-0.1 0.997 69.4 112.7 54.5 85.1 84.7 85.5 35.0 A A
67 70 A L - 0 0 130 -7,-0.4 -7,-0.1 -8,-0.3 -6,-0.1 0.486 44.4-173.2-133.3 -48.1 84.9 86.4 38.7 A A
68 71 A I + 0 0 111 -8,-0.7 3,-0.1 -9,-0.6 -7,-0.1 0.063 36.5 94.0 57.6 177.2 87.2 83.9 40.5 A A
69 72 A A S S- 0 0 67 1,-0.2 2,-0.3 0, 0.0 -10,-0.0 0.855 97.6 -42.4 68.0 117.8 87.8 83.8 44.3 A A
70 73 A E S S- 0 0 113 1,-0.1 -11,-0.2 3,-0.1 -1,-0.2 -0.208 91.0 -83.1 38.6 -94.4 85.8 81.5 46.8 A A
71 74 A I S S- 0 0 19 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.100 81.0 -51.0-152.9 -53.2 82.2 81.9 45.4 A A
72 75 A E S S- 0 0 97 -17,-0.0 -17,-0.1 0, 0.0 -2,-0.0 0.158 125.6 -12.0-161.7 -56.7 80.6 85.1 46.8 A A
73 76 A K S S- 0 0 133 -3,-0.0 -3,-0.1 0, 0.0 -18,-0.0 -0.301 102.0 -89.5-156.9 49.4 81.2 84.8 50.7 A A
74 77 A D S S+ 0 0 81 1,-0.1 -4,-0.1 3,-0.1 3,-0.0 0.733 73.4 145.9 55.1 36.2 82.3 81.2 51.2 A A
75 78 A F S S+ 0 0 125 1,-0.2 -1,-0.1 2,-0.1 -20,-0.0 0.935 73.0 28.5 -67.5 -47.9 78.8 79.5 51.8 A A
76 79 A A S S- 0 0 43 1,-0.2 2,-0.8 -19,-0.1 -1,-0.2 0.460 80.0-162.6 -99.6 -3.3 79.3 76.0 50.2 A A
77 80 A L - 0 0 120 -20,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.434 57.3 -25.6 53.9 -95.6 83.1 75.5 50.7 A A
78 81 A Y + 0 0 149 -2,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.982 69.0 123.2-146.5 149.6 83.9 72.6 48.2 A A
79 82 A G S S+ 0 0 59 -2,-0.3 -1,-0.1 4,-0.0 -2,-0.1 0.331 75.5 54.5-177.1 -9.9 82.1 69.7 46.4 A A
80 83 A D S S+ 0 0 89 3,-0.1 -2,-0.0 0, 0.0 -22,-0.0 0.261 93.4 63.3-133.2 5.4 82.5 70.0 42.6 A A
81 84 A E S S- 0 0 78 -19,-0.0 -3,-0.0 0, 0.0 -23,-0.0 0.853 117.4 -56.0 -94.7 -79.1 86.3 70.3 41.9 A A
82 85 A S + 0 0 103 1,-0.0 2,-0.9 3,-0.0 -4,-0.0 0.613 61.3 162.5-136.4 -55.3 88.2 67.1 43.0 A A
83 86 A V - 0 0 101 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.541 54.5 -86.9 60.4 -96.5 87.7 66.0 46.7 A A
84 87 A F S S- 0 0 206 -2,-0.9 0, 0.0 1,-0.4 0, 0.0 -0.637 71.2 -10.4-166.8-132.3 88.8 62.3 46.8 A A
85 88 A G + 0 0 76 -2,-0.2 -1,-0.4 1,-0.1 2,-0.3 0.133 55.9 147.4 -72.2-168.6 87.2 58.8 46.2 A A
86 89 A G - 0 0 69 2,-0.2 2,-2.2 0, 0.0 -1,-0.1 -0.966 58.6 -7.5 167.1-153.1 83.5 57.8 45.7 A A
87 90 A G S S+ 0 0 96 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.381 91.8 106.4 -74.4 62.8 81.2 55.3 43.9 A A
88 91 A K + 0 0 184 -2,-2.2 -2,-0.2 2,-0.0 2,-0.1 -0.861 35.2 130.6-145.6 110.8 83.8 53.6 41.6 A A
89 92 A V 0 0 130 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.413 360.0 360.0-137.0-155.5 85.2 50.0 42.3 A A
90 93 A I 0 0 214 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.609 360.0 360.0 -95.2 360.0 85.8 46.7 40.4 A A