Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2uub_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 6.A O no hydrogen 2.975 N/A CYS 8.A SG CYS 30.A O no hydrogen 3.408 N/A LEU 10.A N VAL 7.A O no hydrogen 3.036 N/A CYS 11.A SG LEU 18.A O no hydrogen 2.780 N/A ARG 12.A N CYS 8.A O no hydrogen 3.327 N/A ARG 12.A NH1 ARG 35.A O no hydrogen 3.411 N/A ARG 13.A N ARG 9.A O no hydrogen 3.165 N/A GLU 14.A N LEU 10.A O no hydrogen 2.934 N/A GLY 15.A N ARG 12.A O no hydrogen 3.097 N/A ARG 24.A N GLU 23.A OE1 no hydrogen 2.341 N/A CYS 25.A SG LEU 18.A O no hydrogen 3.766 N/A SER 27.A N ARG 24.A O no hydrogen 3.058 N/A CYS 30.A SG CYS 30.A O no hydrogen 2.815 N/A GLY 43.A N GLY 40.A O no hydrogen 3.238 N/A LYS 45.A NZ HIS 42.A ND1 no hydrogen 2.928 N/A ARG 49.A NH1 PRO 50.A O no hydrogen 2.639 N/A ARG 49.A NH1 ASP 52.A OD1 no hydrogen 3.277 N/A ALA 54.A N SER 51.A OG no hydrogen 2.991 N/A VAL 55.A N SER 51.A O no hydrogen 2.936 N/A ARG 56.A N ASP 52.A O no hydrogen 3.270 N/A ARG 56.A NE GLU 204.A OE2 no hydrogen 2.581 N/A ARG 56.A NH2 GLU 204.A OE2 no hydrogen 3.322 N/A LEU 57.A N TYR 53.A O no hydrogen 2.842 N/A ARG 58.A N ALA 54.A O no hydrogen 2.881 N/A ARG 58.A NE GLU 14.A OE1 no hydrogen 3.224 N/A ARG 58.A NE GLU 14.A OE2 no hydrogen 3.177 N/A ARG 58.A NH2 GLU 14.A OE1 no hydrogen 3.144 N/A GLU 59.A N VAL 55.A O no hydrogen 2.953 N/A LYS 60.A N ARG 56.A O no hydrogen 2.790 N/A LYS 60.A NZ GLU 71.A OE1 no hydrogen 3.233 N/A LYS 60.A NZ GLU 71.A OE2 no hydrogen 2.727 N/A GLN 61.A N LEU 57.A O no hydrogen 2.804 N/A LYS 62.A N ARG 58.A O no hydrogen 2.673 N/A LYS 62.A NZ GLU 59.A OE1 no hydrogen 2.517 N/A LYS 62.A NZ PRO 196.A O no hydrogen 3.194 N/A LEU 63.A N GLU 59.A O no hydrogen 3.095 N/A ARG 64.A N LYS 60.A O no hydrogen 2.964 N/A ARG 64.A NE ILE 69.A O no hydrogen 2.964 N/A ARG 64.A NH1 GLU 71.A OE2 no hydrogen 2.813 N/A ARG 65.A N GLN 61.A O no hydrogen 3.089 N/A ILE 66.A N LYS 62.A O no hydrogen 3.203 N/A TYR 67.A OH GLU 97.A OE1 no hydrogen 2.572 N/A GLY 68.A N ARG 64.A O no hydrogen 3.126 N/A GLY 68.A N ARG 65.A O no hydrogen 3.015 N/A GLN 73.A N SER 70.A OG no hydrogen 3.039 N/A PHE 74.A N SER 70.A O no hydrogen 3.067 N/A ARG 75.A N GLU 71.A O no hydrogen 3.015 N/A ARG 75.A NE GLU 79.A OE1 no hydrogen 2.784 N/A ASN 76.A N ARG 72.A O no hydrogen 3.112 N/A LEU 77.A N GLN 73.A O no hydrogen 2.862 N/A PHE 78.A N PHE 74.A O no hydrogen 2.926 N/A GLU 79.A N ARG 75.A O no hydrogen 2.801 N/A GLU 80.A N ASN 76.A O no hydrogen 2.958 N/A ALA 81.A N LEU 77.A O no hydrogen 2.883 N/A SER 82.A N PHE 78.A O no hydrogen 2.879 N/A LYS 83.A N GLU 79.A O no hydrogen 3.058 N/A LYS 84.A N GLU 80.A O no hydrogen 3.087 N/A THR 88.A OG1 ALA 81.A O no hydrogen 3.523 N/A SER 90.A OG VAL 87.A O no hydrogen 3.082 N/A VAL 91.A N VAL 87.A O no hydrogen 3.190 N/A PHE 92.A N THR 88.A O no hydrogen 2.826 N/A LEU 93.A N GLY 89.A O no hydrogen 3.308 N/A GLY 94.A N SER 90.A O no hydrogen 2.556 N/A LEU 95.A N VAL 91.A O no hydrogen 2.754 N/A LEU 96.A N PHE 92.A O no hydrogen 2.826 N/A GLU 97.A N LEU 93.A O no hydrogen 2.741 N/A SER 98.A N GLY 94.A O no hydrogen 3.011 N/A SER 98.A N LEU 95.A O no hydrogen 2.784 N/A SER 98.A OG GLY 94.A O no hydrogen 2.860 N/A ARG 99.A N LEU 96.A O no hydrogen 3.399 N/A ARG 99.A NH2 ASP 101.A OD2 no hydrogen 3.202 N/A LEU 100.A N TYR 137.A O no hydrogen 2.886 N/A ASP 101.A N PRO 135.A O no hydrogen 3.029 N/A ASN 102.A ND2 GLU 97.A O no hydrogen 2.706 N/A ASN 102.A ND2 GLU 97.A OE2 no hydrogen 3.072 N/A VAL 103.A N ARG 99.A O no hydrogen 2.849 N/A VAL 104.A N LEU 100.A O no hydrogen 2.904 N/A TYR 105.A N ASP 101.A O no hydrogen 3.406 N/A ARG 106.A N ASN 102.A O no hydrogen 2.844 N/A ARG 106.A NE GLU 97.A OE2 no hydrogen 2.483 N/A ARG 106.A NH2 GLU 97.A OE2 no hydrogen 3.075 N/A LEU 107.A N VAL 103.A O no hydrogen 2.964 N/A GLY 108.A N TYR 105.A O no hydrogen 2.925 N/A VAL 111.A N GLN 115.A OE1 no hydrogen 2.686 N/A ARG 113.A NE ASN 102.A OD1 no hydrogen 2.543 N/A ARG 113.A NH2 ASN 102.A OD1 no hydrogen 2.815 N/A ARG 114.A NH2 GLY 5.A O no hydrogen 3.515 N/A GLN 115.A N SER 112.A OG no hydrogen 2.796 N/A ALA 116.A N SER 112.A O no hydrogen 3.098 N/A ARG 117.A N ARG 113.A O no hydrogen 2.937 N/A GLN 118.A N ARG 114.A O no hydrogen 3.042 N/A LEU 119.A N GLN 115.A O no hydrogen 2.798 N/A VAL 120.A N ALA 116.A O no hydrogen 2.907 N/A ARG 121.A N ARG 117.A O no hydrogen 2.887 N/A ARG 121.A NE ASP 133.A O no hydrogen 2.858 N/A ARG 121.A NH2 ASP 133.A O no hydrogen 2.918 N/A HIS 122.A N GLN 118.A O no hydrogen 2.808 N/A GLY 123.A N VAL 120.A O no hydrogen 2.842 N/A HIS 124.A N LEU 119.A O no hydrogen 3.043 N/A THR 126.A OG1 ARG 130.A O no hydrogen 2.976 N/A VAL 127.A N ARG 130.A O no hydrogen 2.828 N/A ASN 128.A N GLU 144.A O no hydrogen 3.029 N/A ASN 128.A ND2 ASP 143.A OD1 no hydrogen 3.140 N/A ARG 130.A N VAL 127.A O no hydrogen 3.057 N/A TYR 137.A N LEU 134.A O no hydrogen 2.776 N/A ARG 138.A NH1 GLU 80.A OE1 no hydrogen 2.538 N/A ARG 138.A NH2 GLU 80.A OE1 no hydrogen 3.188 N/A ARG 138.A NH2 GLU 80.A OE2 no hydrogen 2.909 N/A VAL 139.A N SER 98.A O no hydrogen 2.971 N/A ARG 140.A N ASP 143.A OD2 no hydrogen 2.668 N/A GLY 142.A N PHE 184.A O no hydrogen 2.835 N/A ASP 143.A N ARG 140.A O no hydrogen 2.965 N/A GLU 144.A N ASN 128.A OD1 no hydrogen 3.255 N/A ALA 146.A N THR 126.A O no hydrogen 2.878 N/A VAL 147.A N MET 180.A O no hydrogen 2.947 N/A ALA 148.A N HIS 124.A O no hydrogen 2.974 N/A SER 151.A N ALA 148.A O no hydrogen 2.982 N/A SER 151.A OG ALA 148.A O no hydrogen 2.968 N/A ARG 152.A N GLU 149.A O no hydrogen 2.704 N/A LEU 154.A N SER 151.A O no hydrogen 3.019 N/A ARG 158.A N LEU 154.A O no hydrogen 2.979 N/A GLN 159.A N GLU 155.A O no hydrogen 3.206 N/A ASN 160.A N LEU 156.A O no hydrogen 3.094 N/A ASN 160.A ND2 PHE 109.A O no hydrogen 3.245 N/A ASN 160.A ND2 GLN 115.A OE1 no hydrogen 3.438 N/A LEU 161.A N ILE 157.A O no hydrogen 3.173 N/A GLU 162.A N ARG 158.A O no hydrogen 2.537 N/A ALA 163.A N GLN 159.A O no hydrogen 2.716 N/A MET 164.A N LEU 161.A O no hydrogen 3.111 N/A LYS 165.A N GLU 162.A O no hydrogen 2.987 N/A LYS 165.A NZ GLU 162.A OE2 no hydrogen 3.008 N/A ARG 167.A N MET 164.A O no hydrogen 3.013 N/A LEU 173.A N GLY 170.A O no hydrogen 2.817 N/A SER 174.A N LYS 183.A O no hydrogen 3.104 N/A ASP 176.A N LYS 181.A O no hydrogen 2.781 N/A GLY 179.A N ASP 176.A OD1 no hydrogen 3.212 N/A MET 180.A N VAL 177.A O no hydrogen 3.107 N/A LYS 181.A N ASP 176.A O no hydrogen 3.250 N/A GLY 182.A N ILE 145.A O no hydrogen 2.619 N/A LYS 183.A N SER 174.A O no hydrogen 2.784 N/A PHE 184.A N ASP 143.A O no hydrogen 3.146 N/A LEU 185.A N TRP 172.A O no hydrogen 2.887 N/A ARG 186.A N TRP 172.A O no hydrogen 3.268 N/A ASP 189.A N ASP 192.A OD2 no hydrogen 2.669 N/A ARG 190.A NE GLU 199.A OE1 no hydrogen 3.071 N/A ARG 190.A NE GLU 199.A OE2 no hydrogen 3.339 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 2.576 N/A ARG 190.A NH1 LEU 193.A O no hydrogen 3.246 N/A ARG 190.A NH2 LEU 195.A O no hydrogen 3.497 N/A ASP 192.A N ASP 189.A O no hydrogen 2.633 N/A LEU 193.A N ARG 190.A O no hydrogen 3.095 N/A ASN 198.A N GLU 59.A OE2 no hydrogen 2.495 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.793 N/A LEU 201.A N ASN 198.A O no hydrogen 2.904 N/A ILE 203.A N GLU 199.A O no hydrogen 3.038 N/A GLU 204.A N GLN 200.A O no hydrogen 2.844 N/A PHE 205.A N LEU 201.A O no hydrogen 2.818 N/A TYR 206.A N ILE 203.A O no hydrogen 3.010 N/A TYR 206.A OH GLU 71.A OE1 no hydrogen 2.604 N/A SER 207.A N GLU 204.A O no hydrogen 2.799 N/A SER 207.A OG ILE 203.A O no hydrogen 3.175 N/A ARG 208.A N GLU 204.A O no hydrogen 3.400 N/A