Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b89_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASN 1.A O no hydrogen 3.260 N/A LEU 6.A N ILE 2.A O no hydrogen 2.712 N/A THR 7.A N ASN 3.A O no hydrogen 3.103 N/A THR 7.A OG1 ASN 3.A O no hydrogen 2.947 N/A SER 8.A N ASP 4.A O no hydrogen 3.097 N/A SER 8.A OG ASP 4.A O no hydrogen 2.880 N/A ILE 9.A N ALA 5.A O no hydrogen 2.865 N/A LEU 10.A N LEU 6.A O no hydrogen 2.891 N/A ALA 11.A N SER 8.A O no hydrogen 3.012 N/A SER 12.A N ILE 9.A O no hydrogen 3.103 N/A SER 12.A OG ILE 9.A O no hydrogen 2.548 N/A LYS 14.A NZ TYR 15.A OH no hydrogen 3.338 N/A TYR 15.A N SER 12.A OG no hydrogen 3.126 N/A ARG 16.A N SER 12.A O no hydrogen 2.915 N/A LEU 18.A N TYR 15.A O no hydrogen 2.842 N/A CYS 19.A N ILE 130.A O no hydrogen 3.229 N/A CYS 19.A SG ASP 21.A OD2 no hydrogen 3.879 N/A CYS 19.A SG LEU 153.A O no hydrogen 3.963 N/A THR 22.A N CYS 19.A O no hydrogen 2.978 N/A THR 22.A OG1 ASP 155.A OD2 no hydrogen 2.733 N/A VAL 23.A N CYS 19.A O no hydrogen 3.442 N/A ARG 24.A N PRO 20.A O no hydrogen 3.013 N/A ARG 24.A NH2 ASN 3.A OD1 no hydrogen 2.611 N/A ARG 25.A N ASP 21.A O no hydrogen 2.676 N/A ARG 25.A NH2 ASP 155.A OD2 no hydrogen 3.341 N/A ILE 26.A N THR 22.A O no hydrogen 2.908 N/A LEU 27.A N VAL 23.A O no hydrogen 2.854 N/A THR 28.A N ARG 24.A O no hydrogen 2.779 N/A THR 28.A OG1 ARG 24.A O no hydrogen 2.901 N/A GLU 29.A N ARG 25.A O no hydrogen 3.153 N/A GLU 30.A N ILE 26.A O no hydrogen 3.082 N/A TRP 31.A N THR 28.A O no hydrogen 3.314 N/A GLY 32.A N THR 28.A O no hydrogen 3.396 N/A ARG 33.A N GLU 29.A O no hydrogen 3.413 N/A HIS 34.A N TRP 31.A O no hydrogen 2.610 N/A LYS 35.A N TRP 31.A O no hydrogen 2.693 N/A SER 36.A OG THR 40.A OG1 no hydrogen 2.355 N/A THR 40.A N LYS 38.A O no hydrogen 2.527 N/A THR 40.A OG1 LYS 38.A O no hydrogen 3.502 N/A ALA 44.A N THR 40.A O no hydrogen 2.841 N/A ARG 45.A N VAL 41.A O no hydrogen 2.700 N/A THR 46.A N GLU 42.A O no hydrogen 2.921 N/A ARG 47.A N ALA 44.A O no hydrogen 2.830 N/A ARG 47.A NH1 GLU 29.A OE1 no hydrogen 3.349 N/A ARG 47.A NH1 GLU 30.A OE2 no hydrogen 2.664 N/A LEU 48.A N ALA 44.A O no hydrogen 2.817 N/A LEU 48.A N ARG 45.A O no hydrogen 3.263 N/A ILE 51.A N LEU 48.A O no hydrogen 3.365 N/A ALA 54.A N CYS 52.A O no hydrogen 2.679 N/A THR 56.A N SER 59.A OG no hydrogen 3.148 N/A SER 59.A N THR 56.A O no hydrogen 2.832 N/A SER 59.A OG THR 56.A O no hydrogen 2.485 N/A LEU 60.A N THR 56.A O no hydrogen 3.081 N/A LYS 61.A N PRO 57.A O no hydrogen 2.819 N/A ALA 62.A N GLU 58.A O no hydrogen 3.306 N/A ALA 63.A N SER 59.A O no hydrogen 2.966 N/A ALA 63.A N LEU 60.A O no hydrogen 2.935 N/A ALA 64.A N LEU 60.A O no hydrogen 3.070 N/A ALA 65.A N LYS 61.A O no hydrogen 3.057 N/A ALA 66.A N ALA 62.A O no hydrogen 3.010 N/A LEU 67.A N ALA 63.A O no hydrogen 2.609 N/A SER 68.A N ALA 64.A O no hydrogen 3.077 N/A SER 68.A OG ALA 64.A O no hydrogen 3.266 N/A SER 68.A OG ALA 65.A O no hydrogen 2.724 N/A ALA 69.A N ALA 65.A O no hydrogen 3.208 N/A ALA 69.A N ALA 66.A O no hydrogen 3.294 N/A GLY 70.A N LEU 67.A O no hydrogen 2.909 N/A VAL 72.A N GLY 70.A O no hydrogen 2.854 N/A LYS 74.A N ASP 71.A OD1 no hydrogen 3.079 N/A ALA 75.A N ASP 71.A O no hydrogen 3.228 N/A LEU 76.A N VAL 72.A O no hydrogen 2.939 N/A SER 77.A N LYS 73.A O no hydrogen 2.876 N/A LEU 78.A N LYS 74.A O no hydrogen 3.043 N/A LEU 78.A N ALA 75.A O no hydrogen 3.270 N/A HIS 79.A N LEU 76.A O no hydrogen 3.316 N/A HIS 79.A ND1 THR 82.A OG1 no hydrogen 3.037 N/A THR 82.A N HIS 79.A ND1 no hydrogen 3.341 N/A THR 82.A OG1 LEU 76.A O no hydrogen 2.729 N/A THR 82.A OG1 HIS 79.A ND1 no hydrogen 3.037 N/A THR 82.A OG1 HIS 79.A O no hydrogen 3.028 N/A LYS 83.A N HIS 79.A O no hydrogen 2.770 N/A GLU 84.A N ALA 80.A O no hydrogen 3.323 N/A ARG 85.A N THR 82.A O no hydrogen 3.285 N/A ARG 85.A NE GLU 230.A OE2 no hydrogen 2.698 N/A ARG 85.A NH2 SER 81.A OG no hydrogen 3.417 N/A ARG 85.A NH2 GLU 230.A OE2 no hydrogen 3.404 N/A LEU 89.A N LEU 86.A O no hydrogen 3.243 N/A THR 91.A OG1 GLU 88.A OE2 no hydrogen 2.845 N/A LEU 92.A N GLU 88.A O no hydrogen 3.127 N/A TYR 93.A N LEU 89.A O no hydrogen 3.110 N/A TYR 93.A OH ASN 113.A OD1 no hydrogen 2.494 N/A ASP 94.A N ASP 90.A O no hydrogen 2.997 N/A PHE 95.A N THR 91.A O no hydrogen 3.040 N/A ILE 96.A N LEU 92.A O no hydrogen 3.093 N/A PHE 97.A N TYR 93.A O no hydrogen 2.801 N/A SER 98.A OG PHE 95.A O no hydrogen 3.287 N/A ARG 103.A N ASP 166.A OD2 no hydrogen 3.204 N/A ARG 104.A N ASP 166.A OD2 no hydrogen 2.714 N/A ARG 104.A NE ALA 164.A O no hydrogen 2.969 N/A ARG 104.A NH1 SER 124.A OG no hydrogen 2.678 N/A ARG 104.A NH2 GLU 163.A OE1 no hydrogen 3.260 N/A VAL 105.A N SER 124.A O no hydrogen 2.965 N/A LEU 106.A N LEU 167.A O no hydrogen 2.711 N/A ASP 107.A N TRP 126.A O no hydrogen 2.848 N/A ILE 108.A N LEU 169.A O no hydrogen 2.955 N/A CYS 110.A N CYS 128.A O no hydrogen 3.025 N/A CYS 110.A SG GLY 111.A O no hydrogen 3.483 N/A CYS 110.A SG CYS 128.A O no hydrogen 3.684 N/A ASN 113.A ND2 ASP 107.A OD2 no hydrogen 2.495 N/A LEU 115.A N LEU 112.A O no hydrogen 2.949 N/A LEU 117.A N ASN 113.A O no hydrogen 3.191 N/A TYR 118.A N PRO 114.A O no hydrogen 2.984 N/A GLU 119.A N LEU 115.A O no hydrogen 3.263 N/A ARG 120.A N LEU 117.A O no hydrogen 3.020 N/A ARG 120.A NH1 ASP 94.A OD1 no hydrogen 3.005 N/A ARG 120.A NH2 ASP 90.A OD1 no hydrogen 3.281 N/A ARG 120.A NH2 ASP 94.A OD1 no hydrogen 3.030 N/A GLY 121.A N TYR 118.A O no hydrogen 2.636 N/A ILE 122.A N LEU 117.A O no hydrogen 3.386 N/A SER 124.A N ARG 103.A O no hydrogen 2.794 N/A SER 124.A OG ASP 148.A OD2 no hydrogen 2.823 N/A VAL 125.A N ASP 148.A O no hydrogen 2.978 N/A TRP 126.A N VAL 105.A O no hydrogen 2.947 N/A GLY 127.A N THR 150.A O no hydrogen 2.774 N/A CYS 128.A N ASP 107.A O no hydrogen 3.170 N/A ASP 129.A N ALA 152.A O no hydrogen 3.044 N/A ILE 130.A N ASP 129.A OD1 no hydrogen 2.750 N/A GLN 132.A N ALA 17.A O no hydrogen 2.746 N/A GLY 133.A N HIS 131.A ND1 no hydrogen 2.757 N/A LEU 134.A N HIS 131.A O no hydrogen 3.112 N/A ASP 136.A N GLN 132.A O no hydrogen 2.939 N/A VAL 137.A N GLY 133.A O no hydrogen 3.273 N/A VAL 137.A N LEU 134.A O no hydrogen 3.034 N/A ILE 138.A N LEU 134.A O no hydrogen 3.122 N/A THR 139.A N GLY 135.A O no hydrogen 2.801 N/A THR 139.A OG1 GLY 135.A O no hydrogen 3.098 N/A ALA 142.A N ILE 138.A O no hydrogen 2.945 N/A ARG 143.A N THR 139.A O no hydrogen 2.790 N/A GLU 144.A N PRO 140.A O no hydrogen 2.820 N/A LYS 145.A N ALA 142.A O no hydrogen 3.163 N/A ASP 146.A N ARG 143.A O no hydrogen 2.993 N/A TRP 147.A N ALA 142.A O no hydrogen 2.783 N/A TRP 147.A NE1 ILE 122.A O no hydrogen 2.932 N/A THR 150.A N VAL 125.A O no hydrogen 2.931 N/A ALA 152.A N GLY 127.A O no hydrogen 2.827 N/A GLN 154.A N ASP 129.A O no hydrogen 3.066 N/A GLN 154.A NE2 ALA 159.A O no hydrogen 2.855 N/A GLN 154.A NE2 PRO 160.A O no hydrogen 2.877 N/A LEU 157.A N ASP 155.A OD1 no hydrogen 2.681 N/A CYS 158.A N ASP 155.A O no hydrogen 2.987 N/A CYS 158.A SG ASP 21.A O no hydrogen 3.859 N/A ALA 159.A N ASP 155.A O no hydrogen 3.259 N/A GLY 165.A N ASN 192.A O no hydrogen 3.133 N/A ASP 166.A N ARG 104.A O no hydrogen 2.840 N/A LEU 167.A N ARG 104.A O no hydrogen 3.312 N/A ALA 168.A N ARG 195.A O no hydrogen 3.177 N/A LEU 169.A N LEU 106.A O no hydrogen 2.794 N/A ILE 170.A N ALA 196.A O no hydrogen 2.793 N/A LYS 172.A N SER 198.A OG no hydrogen 2.905 N/A LYS 172.A NZ SER 81.A O no hydrogen 3.448 N/A LYS 172.A NZ SER 81.A OG no hydrogen 3.393 N/A LYS 172.A NZ GLU 84.A OE1 no hydrogen 2.824 N/A LEU 177.A N LEU 173.A O no hydrogen 2.922 N/A GLU 178.A N LEU 174.A O no hydrogen 2.837 N/A ARG 179.A N PRO 175.A O no hydrogen 3.059 N/A GLU 180.A N LEU 176.A O no hydrogen 3.260 N/A GLU 180.A N LEU 177.A O no hydrogen 3.256 N/A GLN 181.A N LEU 177.A O no hydrogen 3.084 N/A GLY 183.A N GLU 178.A OE1 no hydrogen 2.730 N/A SER 184.A N GLN 181.A O no hydrogen 3.041 N/A SER 184.A OG GLN 181.A O no hydrogen 2.473 N/A ALA 185.A N GLU 178.A OE2 no hydrogen 3.290 N/A LEU 187.A N SER 184.A O no hydrogen 3.033 N/A LEU 187.A N ALA 185.A O no hydrogen 3.098 N/A GLN 189.A NE2 GLU 218.A OE1 no hydrogen 3.036 N/A SER 190.A N ALA 186.A O no hydrogen 3.312 N/A SER 190.A N LEU 187.A O no hydrogen 3.228 N/A SER 190.A OG ALA 186.A O no hydrogen 3.486 N/A SER 190.A OG LEU 187.A O no hydrogen 3.229 N/A LEU 191.A N LEU 188.A O no hydrogen 3.310 N/A THR 193.A N LEU 191.A O no hydrogen 2.926 N/A THR 193.A OG1 ARG 195.A O no hydrogen 3.116 N/A ALA 196.A N ALA 168.A O no hydrogen 2.850 N/A VAL 197.A N TYR 233.A O no hydrogen 3.009 N/A SER 198.A N ILE 170.A O no hydrogen 3.182 N/A SER 198.A OG GLU 230.A OE1 no hydrogen 2.473 N/A PHE 199.A N LEU 231.A O no hydrogen 3.049 N/A THR 201.A N THR 229.A O no hydrogen 3.110 N/A THR 201.A OG1 THR 229.A O no hydrogen 3.466 N/A ALA 209.A N ASN 206.A OD1 no hydrogen 3.219 N/A TRP 210.A N ASN 206.A O no hydrogen 3.290 N/A PHE 211.A N TYR 207.A O no hydrogen 2.766 N/A GLU 212.A N ALA 208.A O no hydrogen 2.835 N/A GLY 213.A N ALA 209.A O no hydrogen 3.083 N/A GLY 214.A N TRP 210.A O no hydrogen 2.656 N/A GLU 218.A N GLU 218.A OE2 no hydrogen 3.073 N/A PHE 219.A N PRO 216.A O no hydrogen 2.837 N/A GLU 220.A N LYS 236.A O no hydrogen 3.076 N/A ASP 223.A N LEU 234.A O no hydrogen 3.203 N/A LYS 224.A NZ GLU 212.A OE2 no hydrogen 3.165 N/A LYS 225.A N ILE 232.A O no hydrogen 3.046 N/A ILE 227.A N GLU 230.A O no hydrogen 2.778 N/A GLU 230.A N ILE 227.A O no hydrogen 3.030 N/A LEU 231.A N PHE 199.A O no hydrogen 2.997 N/A ILE 232.A N LYS 225.A O no hydrogen 2.658 N/A TYR 233.A N VAL 197.A O no hydrogen 2.779 N/A TYR 233.A OH GLU 212.A OE2 no hydrogen 2.871 N/A LEU 234.A N ASP 223.A O no hydrogen 2.818 N/A LYS 236.A N GLU 220.A O no hydrogen 2.927 N/A LYS 237.A N PRO 194.A O no hydrogen 2.624 N/A LYS 237.A NZ LEU 188.A O no hydrogen 3.305 N/A LYS 237.A NZ GLN 189.A O no hydrogen 2.695 N/A LYS 237.A NZ LEU 191.A O no hydrogen 2.415 N/A ASN 238.A N GLU 218.A O no hydrogen 3.235 N/A ASN 238.A ND2 GLU 218.A O no hydrogen 2.629 N/A