Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLN 8.A OE1 no hydrogen 3.061 N/A GLN 9.A N SER 5.A O no hydrogen 3.164 N/A GLN 9.A NE2 SER 5.A O no hydrogen 2.984 N/A HIS 10.A N GLU 6.A O no hydrogen 2.966 N/A ILE 11.A N GLU 7.A O no hydrogen 2.900 N/A ILE 12.A N GLN 8.A O no hydrogen 3.094 N/A ALA 13.A N GLN 9.A O no hydrogen 2.996 N/A ILE 14.A N HIS 10.A O no hydrogen 2.778 N/A LEU 15.A N ILE 11.A O no hydrogen 2.932 N/A LEU 16.A N ILE 12.A O no hydrogen 2.922 N/A ASP 17.A N ALA 13.A O no hydrogen 3.283 N/A ALA 18.A N ILE 14.A O no hydrogen 2.879 N/A HIS 19.A N LEU 15.A O no hydrogen 2.816 N/A HIS 20.A N LEU 16.A O no hydrogen 2.731 N/A HIS 20.A NE2 GLU 145.A OE1 no hydrogen 2.981 N/A HIS 20.A NE2 GLU 145.A OE2 no hydrogen 3.058 N/A LYS 21.A N ASP 17.A O no hydrogen 2.734 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 2.934 N/A LYS 21.A NZ ASP 17.A OD2 no hydrogen 2.672 N/A THR 22.A N HIS 19.A O no hydrogen 2.811 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.753 N/A THR 22.A OG1 HIS 19.A O no hydrogen 3.385 N/A TYR 23.A N HIS 19.A O no hydrogen 2.859 N/A TYR 23.A OH TYR 27.A OH no hydrogen 2.561 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.876 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 3.020 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.293 N/A TYR 27.A N ASP 24.A O no hydrogen 3.012 N/A TYR 27.A OH TYR 23.A OH no hydrogen 2.561 N/A ALA 28.A N ASP 24.A OD2 no hydrogen 3.058 N/A PHE 30.A N TYR 27.A O no hydrogen 3.364 N/A ASP 32.A N ASP 29.A O no hydrogen 2.904 N/A PHE 33.A N PHE 30.A O no hydrogen 3.163 N/A ARG 34.A N ASP 50.A OD1 no hydrogen 2.775 N/A ARG 34.A NE ASP 50.A OD1 no hydrogen 2.819 N/A ARG 34.A NE ASP 50.A OD2 no hydrogen 3.317 N/A ARG 34.A NH1 LYS 231.A O no hydrogen 2.916 N/A ARG 34.A NH2 ASP 50.A OD2 no hydrogen 2.778 N/A ARG 34.A NH2 LYS 231.A O no hydrogen 2.807 N/A ARG 38.A NE ASP 117.A OD1 no hydrogen 3.084 N/A ARG 38.A NH1 ASP 110.A O no hydrogen 2.944 N/A ARG 38.A NH2 ASP 110.A O no hydrogen 2.981 N/A ARG 38.A NH2 ASP 117.A OD2 no hydrogen 3.462 N/A SER 43.A OG VAL 37.A O no hydrogen 2.834 N/A MET 44.A N LYS 120.A O no hydrogen 3.171 N/A LEU 45.A N LEU 42.A O no hydrogen 3.318 N/A HIS 47.A ND1 ARG 34.A O no hydrogen 2.763 N/A HIS 47.A NE2 TYR 113.A OH no hydrogen 2.717 N/A LEU 48.A N MET 44.A O no hydrogen 3.001 N/A ALA 49.A N LEU 45.A O no hydrogen 2.881 N/A ASP 50.A N PRO 46.A O no hydrogen 3.265 N/A LEU 51.A N HIS 47.A O no hydrogen 2.977 N/A VAL 52.A N LEU 48.A O no hydrogen 2.840 N/A SER 53.A N ALA 49.A O no hydrogen 2.940 N/A SER 53.A OG THR 233.A OG1 no hydrogen 2.393 N/A TYR 54.A N ASP 50.A O no hydrogen 3.012 N/A TYR 54.A OH ASP 29.A OD2 no hydrogen 2.716 N/A SER 55.A N LEU 51.A O no hydrogen 3.075 N/A SER 55.A OG LEU 51.A O no hydrogen 3.047 N/A ILE 56.A N VAL 52.A O no hydrogen 2.695 N/A GLN 57.A N SER 53.A O no hydrogen 3.107 N/A LYS 58.A N TYR 54.A O no hydrogen 3.141 N/A LYS 58.A N SER 55.A O no hydrogen 3.066 N/A VAL 59.A N SER 55.A O no hydrogen 2.835 N/A ILE 60.A N ILE 56.A O no hydrogen 2.889 N/A GLY 61.A N GLN 57.A O no hydrogen 3.040 N/A PHE 62.A N LYS 58.A O no hydrogen 2.947 N/A ALA 63.A N VAL 59.A O no hydrogen 2.852 N/A LYS 64.A N ILE 60.A O no hydrogen 2.978 N/A MET 65.A N PHE 62.A O no hydrogen 3.049 N/A ILE 66.A N ALA 63.A O no hydrogen 2.878 N/A PHE 69.A N ILE 66.A O no hydrogen 2.841 N/A ASP 71.A N GLY 68.A O no hydrogen 3.121 N/A LEU 72.A N PHE 69.A O no hydrogen 3.085 N/A THR 73.A OG1 GLN 165.A OE1 no hydrogen 3.256 N/A ASP 76.A N THR 73.A O no hydrogen 3.215 N/A ASP 76.A N THR 73.A OG1 no hydrogen 3.305 N/A GLN 77.A N THR 73.A O no hydrogen 2.969 N/A ILE 78.A N SER 74.A O no hydrogen 3.130 N/A VAL 79.A N ASP 75.A O no hydrogen 3.190 N/A LEU 80.A N ASP 76.A O no hydrogen 2.850 N/A LEU 81.A N GLN 77.A O no hydrogen 3.068 N/A LYS 82.A N ILE 78.A O no hydrogen 2.859 N/A SER 83.A N VAL 79.A O no hydrogen 3.144 N/A SER 83.A OG VAL 79.A O no hydrogen 2.752 N/A SER 83.A OG LEU 80.A O no hydrogen 3.472 N/A SER 84.A N LEU 80.A O no hydrogen 3.068 N/A SER 84.A OG LEU 80.A O no hydrogen 2.652 N/A ALA 85.A N LEU 81.A O no hydrogen 3.029 N/A VAL 88.A N SER 84.A O no hydrogen 2.902 N/A ILE 89.A N ALA 85.A O no hydrogen 2.883 N/A MET 90.A N ILE 86.A O no hydrogen 2.903 N/A LEU 91.A N GLU 87.A O no hydrogen 3.033 N/A ARG 92.A N VAL 88.A O no hydrogen 2.844 N/A ARG 92.A NH2 THR 22.A O no hydrogen 2.965 N/A SER 93.A N ILE 89.A O no hydrogen 2.943 N/A SER 93.A OG MET 90.A O no hydrogen 2.591 N/A ASN 94.A N LEU 91.A O no hydrogen 3.095 N/A ASN 94.A ND2 GLN 135.A O no hydrogen 3.257 N/A ASN 94.A ND2 GLN 135.A OE1 no hydrogen 2.813 N/A GLN 95.A N ARG 92.A O no hydrogen 3.179 N/A GLN 95.A NE2 HIS 19.A NE2 no hydrogen 2.855 N/A SER 96.A N SER 93.A O no hydrogen 2.977 N/A SER 96.A OG SER 93.A O no hydrogen 3.135 N/A PHE 97.A N SER 93.A O no hydrogen 3.204 N/A PHE 97.A N ASN 94.A O no hydrogen 3.341 N/A THR 98.A N SER 103.A O no hydrogen 2.605 N/A THR 98.A OG1 ASP 100.A OD2 no hydrogen 3.199 N/A SER 103.A N THR 98.A O no hydrogen 3.084 N/A SER 103.A OG ASP 101.A OD2 no hydrogen 2.561 N/A TRP 104.A N TYR 113.A O no hydrogen 2.560 N/A ASP 105.A N SER 96.A O no hydrogen 2.783 N/A CYS 106.A N TYR 111.A O no hydrogen 2.783 N/A SER 108.A N CYS 106.A O no hydrogen 3.096 N/A TYR 111.A N SER 108.A O no hydrogen 2.780 N/A LYS 112.A N GLN 109.A O no hydrogen 3.473 N/A LYS 112.A NZ ASP 101.A OD1 no hydrogen 2.760 N/A LYS 112.A NZ ASP 101.A OD2 no hydrogen 3.006 N/A LYS 112.A NZ SER 103.A OG no hydrogen 3.160 N/A TYR 113.A N TRP 104.A O no hydrogen 2.651 N/A TYR 113.A OH HIS 47.A NE2 no hydrogen 2.717 N/A ASP 114.A N ASP 117.A OD2 no hydrogen 3.172 N/A THR 116.A N ASP 114.A OD2 no hydrogen 2.959 N/A ASP 117.A N ASP 114.A O no hydrogen 2.998 N/A ASP 117.A N ASP 114.A OD2 no hydrogen 3.451 N/A VAL 118.A N ASP 114.A O no hydrogen 3.326 N/A SER 119.A N VAL 115.A O no hydrogen 3.013 N/A SER 119.A OG VAL 115.A O no hydrogen 3.306 N/A LYS 120.A N THR 116.A O no hydrogen 2.916 N/A ALA 121.A N VAL 118.A O no hydrogen 3.012 N/A GLY 122.A N SER 119.A O no hydrogen 2.863 N/A HIS 123.A N VAL 118.A O no hydrogen 3.252 N/A THR 124.A OG1 GLN 218.A OE1 no hydrogen 3.229 N/A LEU 127.A N THR 124.A O no hydrogen 3.085 N/A ILE 128.A N THR 124.A O no hydrogen 3.141 N/A GLU 129.A N LEU 125.A O no hydrogen 2.986 N/A LEU 131.A N LEU 127.A O no hydrogen 2.945 N/A ILE 132.A N ILE 128.A O no hydrogen 2.945 N/A LYS 133.A N GLU 129.A O no hydrogen 3.127 N/A PHE 134.A N PRO 130.A O no hydrogen 2.982 N/A GLN 135.A N LEU 131.A O no hydrogen 3.037 N/A GLN 135.A NE2 MET 90.A O no hydrogen 2.925 N/A VAL 136.A N ILE 132.A O no hydrogen 2.719 N/A GLY 137.A N LYS 133.A O no hydrogen 2.992 N/A LEU 138.A N PHE 134.A O no hydrogen 2.763 N/A LYS 139.A N GLN 135.A O no hydrogen 2.760 N/A LYS 139.A NZ ASN 94.A O no hydrogen 2.975 N/A LYS 139.A NZ PHE 97.A O no hydrogen 2.614 N/A LYS 140.A N VAL 136.A O no hydrogen 3.075 N/A LEU 141.A N LEU 138.A O no hydrogen 3.292 N/A ASN 142.A N LYS 139.A O no hydrogen 2.979 N/A HIS 144.A N GLU 147.A OE2 no hydrogen 2.831 N/A HIS 144.A ND1 TYR 184.A OH no hydrogen 2.959 N/A GLU 146.A N GLU 146.A OE2 no hydrogen 2.658 N/A GLU 147.A N HIS 144.A O no hydrogen 2.570 N/A HIS 148.A N HIS 144.A O no hydrogen 3.129 N/A VAL 149.A N GLU 145.A O no hydrogen 3.016 N/A LEU 150.A N GLU 146.A O no hydrogen 3.329 N/A LEU 151.A N GLU 147.A O no hydrogen 2.872 N/A MET 152.A N HIS 148.A O no hydrogen 3.053 N/A ALA 153.A N VAL 149.A O no hydrogen 2.951 N/A ILE 154.A N LEU 150.A O no hydrogen 2.886 N/A CYS 155.A N LEU 151.A O no hydrogen 3.025 N/A CYS 155.A SG GLU 87.A OE1 no hydrogen 3.322 N/A ILE 156.A N MET 152.A O no hydrogen 3.182 N/A VAL 157.A N ALA 153.A O no hydrogen 3.048 N/A SER 158.A OG ILE 154.A O no hydrogen 3.421 N/A SER 158.A OG CYS 155.A O no hydrogen 2.995 N/A ARG 161.A NH1 GLU 87.A OE1 no hydrogen 3.273 N/A ARG 161.A NH1 GLU 87.A OE2 no hydrogen 2.723 N/A ARG 161.A NH2 GLU 87.A OE1 no hydrogen 2.543 N/A ARG 161.A NH2 CYS 155.A O no hydrogen 3.112 N/A VAL 164.A N ARG 161.A O no hydrogen 3.285 N/A GLN 165.A N ASP 76.A OD2 no hydrogen 3.021 N/A ASP 166.A N ASP 76.A OD1 no hydrogen 3.023 N/A LYS 168.A NZ GLU 171.A OE2 no hydrogen 3.569 N/A LEU 169.A N ASP 166.A O no hydrogen 2.770 N/A LEU 169.A N ASP 166.A OD1 no hydrogen 3.235 N/A VAL 170.A N ASP 166.A O no hydrogen 3.136 N/A GLU 171.A N ALA 167.A O no hydrogen 2.987 N/A ALA 172.A N LYS 168.A O no hydrogen 3.280 N/A ILE 173.A N LEU 169.A O no hydrogen 3.251 N/A GLN 174.A N VAL 170.A O no hydrogen 2.999 N/A GLN 174.A NE2 ILE 154.A O no hydrogen 3.005 N/A ASP 175.A N GLU 171.A O no hydrogen 2.856 N/A ARG 176.A N ALA 172.A O no hydrogen 3.081 N/A LEU 177.A N ILE 173.A O no hydrogen 3.184 N/A LEU 177.A N GLN 174.A O no hydrogen 2.852 N/A SER 178.A N GLN 174.A O no hydrogen 2.722 N/A SER 178.A OG GLN 174.A O no hydrogen 3.104 N/A ASN 179.A N ASP 175.A O no hydrogen 2.949 N/A THR 180.A N ARG 176.A O no hydrogen 3.373 N/A THR 180.A OG1 ARG 176.A O no hydrogen 2.539 N/A LEU 181.A N LEU 177.A O no hydrogen 3.010 N/A GLN 182.A N SER 178.A O no hydrogen 2.743 N/A GLN 182.A NE2 TYR 198.A OH no hydrogen 3.336 N/A THR 183.A N ASN 179.A O no hydrogen 3.024 N/A THR 183.A OG1 ASN 179.A O no hydrogen 2.769 N/A TYR 184.A N THR 180.A O no hydrogen 2.849 N/A TYR 184.A OH HIS 144.A ND1 no hydrogen 2.959 N/A ILE 185.A N LEU 181.A O no hydrogen 2.951 N/A ARG 186.A N GLN 182.A O no hydrogen 3.212 N/A CYS 187.A N THR 183.A O no hydrogen 3.064 N/A CYS 187.A SG PRO 2.A O no hydrogen 3.564 N/A CYS 187.A SG THR 183.A O no hydrogen 3.289 N/A ARG 188.A N TYR 184.A O no hydrogen 2.743 N/A HIS 189.A N ILE 185.A O no hydrogen 2.727 N/A HIS 189.A ND1 GLU 147.A OE1 no hydrogen 2.711 N/A HIS 195.A N PRO 192.A O no hydrogen 3.300 N/A LEU 197.A N SER 194.A O no hydrogen 3.169 N/A LYS 200.A N GLN 196.A O no hydrogen 2.893 N/A LYS 200.A NZ HIS 195.A O no hydrogen 3.095 N/A MET 201.A N LEU 197.A O no hydrogen 2.848 N/A ILE 202.A N TYR 198.A O no hydrogen 2.853 N/A GLN 203.A N ALA 199.A O no hydrogen 2.958 N/A LYS 204.A N LYS 200.A O no hydrogen 3.169 N/A LEU 205.A N MET 201.A O no hydrogen 3.176 N/A ALA 206.A N ILE 202.A O no hydrogen 3.292 N/A ASP 207.A N GLN 203.A O no hydrogen 2.913 N/A LEU 208.A N LYS 204.A O no hydrogen 2.880 N/A ARG 209.A N LEU 205.A O no hydrogen 3.220 N/A ARG 209.A N ALA 206.A O no hydrogen 3.067 N/A ARG 209.A NH1 ASP 160.A OD1 no hydrogen 2.800 N/A ARG 209.A NH1 ASP 160.A OD2 no hydrogen 3.541 N/A ARG 209.A NH2 ASP 160.A OD1 no hydrogen 3.415 N/A ARG 209.A NH2 ASP 160.A OD2 no hydrogen 2.778 N/A SER 210.A N ALA 206.A O no hydrogen 3.492 N/A LEU 211.A N ASP 207.A O no hydrogen 3.092 N/A ASN 212.A N LEU 208.A O no hydrogen 2.766 N/A ASN 212.A ND2 SER 83.A O no hydrogen 2.906 N/A ASN 212.A ND2 GLU 87.A OE2 no hydrogen 2.695 N/A GLU 213.A N ARG 209.A O no hydrogen 3.115 N/A GLU 214.A N SER 210.A O no hydrogen 3.097 N/A HIS 215.A N LEU 211.A O no hydrogen 2.753 N/A SER 216.A N ASN 212.A O no hydrogen 2.789 N/A SER 216.A OG ASN 212.A O no hydrogen 3.078 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 3.394 N/A LYS 217.A N GLU 213.A O no hydrogen 3.111 N/A GLN 218.A N GLU 214.A O no hydrogen 3.141 N/A TYR 219.A N HIS 215.A O no hydrogen 2.795 N/A TYR 219.A OH GLY 241.A O no hydrogen 3.046 N/A ARG 220.A N SER 216.A O no hydrogen 2.762 N/A SER 221.A N LYS 217.A O no hydrogen 2.985 N/A LEU 222.A N GLN 218.A O no hydrogen 2.799 N/A SER 223.A N TYR 219.A O no hydrogen 2.859 N/A SER 223.A OG TYR 219.A O no hydrogen 3.170 N/A PHE 224.A N SER 221.A O no hydrogen 3.205 N/A ASN 228.A N GLN 225.A O no hydrogen 2.959 N/A ASN 228.A ND2 LEU 222.A O no hydrogen 2.916 N/A SER 229.A N GLN 225.A O no hydrogen 3.278 N/A LYS 231.A N ASN 228.A O no hydrogen 2.871 N/A THR 233.A OG1 SER 53.A OG no hydrogen 2.393 N/A VAL 236.A N THR 233.A OG1 no hydrogen 3.182 N/A LEU 237.A N THR 233.A O no hydrogen 2.963 N/A GLU 238.A N PRO 234.A O no hydrogen 2.867 N/A VAL 239.A N LEU 235.A O no hydrogen 2.844 N/A PHE 240.A N VAL 236.A O no hydrogen 2.716 N/A GLY 241.A N LEU 237.A O no hydrogen 3.043 N/A