Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v1l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N SER 5.A OG no hydrogen 3.350 N/A THR 2.A OG1 SER 5.A OG no hydrogen 3.038 N/A SER 5.A N THR 2.A OG1 no hydrogen 3.174 N/A SER 5.A OG THR 2.A O no hydrogen 3.383 N/A SER 5.A OG THR 2.A OG1 no hydrogen 3.038 N/A THR 6.A N THR 2.A O no hydrogen 3.241 N/A THR 6.A OG1 THR 2.A O no hydrogen 2.781 N/A THR 6.A OG1 GLU 3.A O no hydrogen 3.171 N/A SER 7.A N SER 4.A O no hydrogen 3.360 N/A SER 7.A OG HIS 23.A NE2 no hydrogen 2.625 N/A LYS 8.A N TYR 24.A O no hydrogen 2.722 N/A LYS 8.A NZ GLU 26.A OE2 no hydrogen 2.785 N/A VAL 10.A N ILE 22.A O no hydrogen 2.963 N/A ILE 12.A N PHE 20.A O no hydrogen 2.742 N/A GLU 14.A N PHE 17.A O no hydrogen 3.195 N/A PHE 17.A N GLU 14.A O no hydrogen 2.800 N/A ASP 19.A N ASN 13.A OD1 no hydrogen 2.694 N/A PHE 20.A N ILE 12.A O no hydrogen 3.058 N/A ASN 21.A N ASP 75.A OD2 no hydrogen 2.814 N/A ILE 22.A N VAL 10.A O no hydrogen 2.859 N/A HIS 23.A N SER 74.A OG no hydrogen 3.041 N/A HIS 23.A ND1 ASP 67.A OD2 no hydrogen 2.730 N/A HIS 23.A NE2 SER 7.A OG no hydrogen 2.625 N/A TYR 24.A N LYS 8.A O no hydrogen 2.928 N/A ASN 25.A N LEU 65.A O no hydrogen 3.013 N/A ASN 25.A ND2 GLU 3.A OE2 no hydrogen 3.366 N/A ASN 25.A ND2 THR 6.A OG1 no hydrogen 2.967 N/A GLU 26.A N THR 6.A O no hydrogen 2.874 N/A ALA 27.A N VAL 63.A O no hydrogen 3.016 N/A VAL 33.A N ARG 62.A O no hydrogen 2.810 N/A ILE 34.A N HIS 104.A O no hydrogen 2.819 N/A MET 35.A N ILE 64.A O no hydrogen 2.800 N/A LEU 36.A N VAL 106.A O no hydrogen 2.782 N/A HIS 37.A ND1 GLY 38.A O no hydrogen 2.653 N/A ALA 43.A N GLY 40.A O no hydrogen 3.133 N/A GLY 45.A N ASP 67.A OD1 no hydrogen 2.879 N/A ASN 48.A N GLY 44.A O no hydrogen 3.231 N/A TYR 49.A N GLY 45.A O no hydrogen 3.078 N/A TYR 49.A N TRP 46.A O no hydrogen 3.239 N/A TYR 49.A OH LEU 36.A O no hydrogen 2.600 N/A ARG 51.A NH1 TRP 266.A O no hydrogen 3.022 N/A ASN 52.A N TYR 49.A O no hydrogen 2.920 N/A ASN 52.A ND2 GLN 265.A O no hydrogen 2.970 N/A ASN 52.A ND2 ASN 273.A OD1 no hydrogen 2.662 N/A VAL 53.A N TYR 49.A O no hydrogen 3.150 N/A PHE 56.A N ASN 52.A O no hydrogen 3.120 N/A VAL 57.A N VAL 53.A O no hydrogen 2.905 N/A ASP 58.A N GLY 54.A O no hydrogen 2.807 N/A ALA 59.A N PRO 55.A O no hydrogen 3.022 N/A GLY 60.A N VAL 57.A O no hydrogen 2.931 N/A TYR 61.A N PHE 56.A O no hydrogen 3.192 N/A ARG 62.A N GLU 31.A O no hydrogen 2.978 N/A ARG 62.A NE GLU 26.A OE1 no hydrogen 2.693 N/A ARG 62.A NH2 GLU 26.A OE1 no hydrogen 2.716 N/A VAL 63.A N ALA 27.A O no hydrogen 2.760 N/A ILE 64.A N VAL 33.A O no hydrogen 3.018 N/A LEU 65.A N ASN 25.A O no hydrogen 2.878 N/A LYS 66.A N MET 35.A O no hydrogen 3.103 N/A LYS 66.A NZ ASP 67.A O no hydrogen 3.127 N/A ASP 67.A N HIS 23.A O no hydrogen 2.975 N/A SER 68.A N HIS 37.A NE2 no hydrogen 3.118 N/A GLY 70.A N ASP 75.A O no hydrogen 2.895 N/A PHE 71.A N SER 68.A O no hydrogen 2.966 N/A ASN 72.A ND2 ASP 67.A OD2 no hydrogen 2.686 N/A LYS 73.A N ASP 67.A OD2 no hydrogen 3.213 N/A LYS 73.A NZ GLU 3.A OE1 no hydrogen 3.315 N/A LYS 73.A NZ GLU 3.A OE2 no hydrogen 2.610 N/A SER 74.A N PHE 71.A O no hydrogen 3.036 N/A SER 74.A OG ASP 67.A O no hydrogen 2.715 N/A ASP 75.A N ASN 21.A O no hydrogen 2.856 N/A MET 79.A N SER 204.A OG no hydrogen 2.800 N/A GLN 82.A NE2 ASN 117.A OD1 no hydrogen 3.032 N/A ARG 83.A NH2 PRO 69.A O no hydrogen 3.393 N/A LEU 85.A N GLN 82.A OE1 no hydrogen 3.096 N/A VAL 86.A N GLN 82.A O no hydrogen 3.421 N/A ASN 87.A N ARG 83.A O no hydrogen 2.806 N/A ASN 87.A ND2 THR 114.A OG1 no hydrogen 2.970 N/A ALA 88.A N GLY 84.A O no hydrogen 3.055 N/A ARG 89.A N LEU 85.A O no hydrogen 3.099 N/A ARG 89.A NH1 GLU 81.A OE2 no hydrogen 2.787 N/A ALA 90.A N VAL 86.A O no hydrogen 3.170 N/A VAL 91.A N ASN 87.A O no hydrogen 3.010 N/A LYS 92.A N ALA 88.A O no hydrogen 3.062 N/A LYS 92.A NZ GLU 14.A OE1 no hydrogen 3.037 N/A LYS 92.A NZ GLU 14.A OE2 no hydrogen 2.947 N/A LYS 92.A NZ ASP 96.A OD2 no hydrogen 2.754 N/A GLY 93.A N ARG 89.A O no hydrogen 2.814 N/A LEU 94.A N ALA 90.A O no hydrogen 2.751 N/A MET 95.A N VAL 91.A O no hydrogen 2.841 N/A ASP 96.A N LYS 92.A O no hydrogen 2.809 N/A ALA 97.A N GLY 93.A O no hydrogen 3.017 N/A LEU 98.A N LEU 94.A O no hydrogen 3.056 N/A LEU 98.A N MET 95.A O no hydrogen 3.259 N/A ASP 99.A N ASP 96.A O no hydrogen 3.214 N/A ILE 100.A N MET 95.A O no hydrogen 3.053 N/A ARG 102.A NH1 ILE 126.A O no hydrogen 2.964 N/A ALA 103.A N ARG 125.A O no hydrogen 3.076 N/A HIS 104.A N THR 32.A O no hydrogen 3.073 N/A HIS 104.A NE2 GLU 31.A OE2 no hydrogen 3.370 N/A LEU 105.A N LYS 128.A O no hydrogen 3.069 N/A VAL 106.A N ILE 34.A O no hydrogen 2.904 N/A GLY 107.A N ILE 130.A O no hydrogen 2.932 N/A ASN 108.A N LEU 36.A O no hydrogen 3.166 N/A ASN 108.A ND2 MET 132.A O no hydrogen 3.062 N/A ASN 108.A ND2 GLN 262.A O no hydrogen 3.035 N/A ASN 108.A ND2 GLN 262.A OE1.A no hydrogen 2.545 N/A ALA 109.A N MET 132.A O no hydrogen 2.842 N/A GLY 111.A N ASN 108.A O no hydrogen 2.697 N/A ALA 113.A N ALA 109.A O no hydrogen 2.967 N/A THR 114.A N MET 110.A O no hydrogen 2.875 N/A THR 114.A OG1 MET 110.A O no hydrogen 2.939 N/A ALA 115.A N GLY 111.A O no hydrogen 2.879 N/A LEU 116.A N GLY 112.A O no hydrogen 2.968 N/A ASN 117.A N ALA 113.A O no hydrogen 3.086 N/A ASN 117.A ND2 ALA 113.A O no hydrogen 2.725 N/A PHE 118.A N THR 114.A O no hydrogen 2.913 N/A ALA 119.A N ALA 115.A O no hydrogen 2.952 N/A LEU 120.A N LEU 116.A O no hydrogen 3.007 N/A GLU 121.A N ASN 117.A O no hydrogen 2.869 N/A TYR 122.A N PHE 118.A O no hydrogen 2.761 N/A ARG 125.A N TYR 122.A O no hydrogen 2.920 N/A ARG 125.A NE ASP 101.A O no hydrogen 2.756 N/A ARG 125.A NH1 ASP 96.A OD1 no hydrogen 3.072 N/A ARG 125.A NH2 ASP 96.A OD1 no hydrogen 3.169 N/A ARG 125.A NH2 ILE 100.A O no hydrogen 2.836 N/A GLY 127.A N ALA 103.A O no hydrogen 2.931 N/A LYS 128.A N HIS 104.A ND1 no hydrogen 3.038 N/A LYS 128.A NZ PHE 279.A O no hydrogen 2.929 N/A LYS 128.A NZ LEU 280.A O no hydrogen 3.015 N/A LYS 128.A NZ ALA 283.A O no hydrogen 2.758 N/A LEU 129.A N LYS 225.A O no hydrogen 3.065 N/A ILE 130.A N LEU 105.A O no hydrogen 2.821 N/A LEU 131.A N PHE 227.A O no hydrogen 2.804 N/A MET 132.A N GLY 107.A O no hydrogen 2.764 N/A GLY 133.A N THR 229.A O no hydrogen 3.113 N/A GLY 135.A N ALA 109.A O no hydrogen 2.975 N/A SER 140.A OG ASP 240.A OD1 no hydrogen 2.565 N/A SER 140.A OG ASP 240.A OD2 no hydrogen 3.350 N/A MET 141.A N ASP 240.A OD2 no hydrogen 2.913 N/A PHE 142.A N SER 140.A OG no hydrogen 3.167 N/A ALA 143.A N SER 140.A OG no hydrogen 2.947 N/A GLY 149.A N ARG 235.A O no hydrogen 2.893 N/A LYS 151.A N MET 147.A O no hydrogen 3.029 N/A LEU 152.A N GLU 148.A O no hydrogen 3.205 N/A LEU 153.A N GLY 149.A O no hydrogen 2.897 N/A PHE 154.A N ILE 150.A O no hydrogen 3.020 N/A LYS 155.A N LYS 151.A O no hydrogen 2.916 N/A LEU 156.A N LEU 152.A O no hydrogen 3.009 N/A TYR 157.A N LEU 153.A O no hydrogen 3.081 N/A TYR 157.A OH GLY 39.A O no hydrogen 2.598 N/A ALA 158.A N PHE 154.A O no hydrogen 3.097 N/A GLU 159.A N LYS 155.A O no hydrogen 2.809 N/A SER 161.A OG THR 164.A OG1 no hydrogen 3.017 N/A THR 164.A N SER 161.A OG no hydrogen 3.049 N/A THR 164.A OG1 SER 161.A OG no hydrogen 3.017 N/A LEU 165.A N SER 161.A O no hydrogen 2.846 N/A LYS 166.A N TYR 162.A O no hydrogen 3.036 N/A GLN 167.A N GLU 163.A O no hydrogen 3.041 N/A MET 168.A N THR 164.A O no hydrogen 2.964 N/A LEU 169.A N LEU 165.A O no hydrogen 3.047 N/A GLN 170.A N LYS 166.A O no hydrogen 2.990 N/A VAL 171.A N MET 168.A O no hydrogen 3.024 N/A PHE 172.A N.A MET 168.A O no hydrogen 2.932 N/A PHE 172.A N.B MET 168.A O no hydrogen 2.886 N/A LEU 173.A N LEU 169.A O no hydrogen 3.011 N/A TYR 174.A N GLU 267.A OE2 no hydrogen 2.981 N/A GLN 176.A NE2 GLN 170.A O no hydrogen 3.071 N/A GLN 176.A NE2 LEU 173.A O no hydrogen 3.079 N/A GLN 176.A NE2 TYR 174.A O no hydrogen 3.142 N/A SER 177.A N ASP 175.A OD1 no hydrogen 3.171 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.717 N/A SER 177.A OG ASP 175.A OD2 no hydrogen 3.282 N/A LEU 178.A N ASP 175.A O no hydrogen 3.117 N/A ILE 179.A N GLN 176.A O no hydrogen 3.020 N/A THR 180.A N LEU 178.A O no hydrogen 2.998 N/A LEU 183.A N THR 180.A OG1 no hydrogen 3.223 N/A LEU 184.A N THR 180.A O no hydrogen 3.184 N/A GLN 185.A N GLU 181.A O no hydrogen 2.928 N/A GLY 186.A N GLU 182.A O no hydrogen 3.038 N/A ARG 187.A N LEU 183.A O no hydrogen 3.147 N/A ARG 187.A NE PRO 41.A O no hydrogen 3.388 N/A ARG 187.A NH2 PRO 41.A O no hydrogen 3.226 N/A TRP 188.A N LEU 184.A O no hydrogen 2.886 N/A GLU 189.A N GLN 185.A O no hydrogen 2.845 N/A ALA 190.A N GLY 186.A O no hydrogen 3.146 N/A ILE 191.A N ARG 187.A O no hydrogen 2.969 N/A GLN 192.A N TRP 188.A O no hydrogen 2.916 N/A ARG 193.A N GLU 189.A O no hydrogen 2.911 N/A ARG 193.A NH2 ASN 72.A OD1 no hydrogen 2.395 N/A GLN 194.A N ILE 191.A O no hydrogen 3.369 N/A HIS 197.A N GLN 194.A O no hydrogen 3.243 N/A HIS 197.A NE2 ASN 72.A O no hydrogen 2.918 N/A LEU 198.A N PRO 195.A O no hydrogen 3.016 N/A LYS 199.A N PRO 195.A O no hydrogen 3.361 N/A ASN 200.A N GLU 196.A O no hydrogen 2.881 N/A PHE 201.A N HIS 197.A O no hydrogen 2.957 N/A LEU 202.A N LEU 198.A O no hydrogen 3.264 N/A ILE 203.A N LYS 199.A O no hydrogen 3.183 N/A SER 204.A N ASN 200.A O no hydrogen 2.854 N/A SER 204.A OG ASN 200.A O no hydrogen 2.784 N/A ALA 205.A N PHE 201.A O no hydrogen 2.866 N/A GLN 206.A N LEU 202.A O no hydrogen 3.240 N/A GLN 206.A N ILE 203.A O no hydrogen 3.084 N/A LYS 207.A N ILE 203.A O no hydrogen 3.204 N/A ALA 208.A N SER 204.A O no hydrogen 3.008 N/A THR 212.A N PRO 209.A O no hydrogen 2.890 N/A THR 212.A OG1 PRO 209.A O no hydrogen 2.615 N/A TRP 213.A N LEU 210.A O no hydrogen 2.991 N/A THR 216.A N ASP 214.A OD1 no hydrogen 2.911 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 2.566 N/A ARG 218.A N VAL 215.A O no hydrogen 3.027 N/A ARG 218.A NE GLU 221.A OE2 no hydrogen 3.077 N/A ARG 218.A NH1 GLU 121.A OE2 no hydrogen 2.993 N/A ARG 218.A NH2 GLU 221.A OE1 no hydrogen 3.051 N/A LEU 219.A N THR 216.A O no hydrogen 3.043 N/A GLU 221.A N ARG 218.A O no hydrogen 2.971 N/A ILE 222.A N LEU 219.A O no hydrogen 3.168 N/A LYS 225.A NZ ALA 283.A OXT no hydrogen 2.532 N/A THR 226.A N ASP 251.A O no hydrogen 2.931 N/A THR 226.A OG1 ALA 224.A O no hydrogen 2.872 N/A PHE 227.A N LEU 129.A O no hydrogen 2.829 N/A ILE 228.A N ARG 253.A O no hydrogen 2.870 N/A THR 229.A N LEU 131.A O no hydrogen 2.752 N/A TRP 230.A N HIS 255.A O no hydrogen 2.977 N/A TRP 230.A NE1 VAL 237.A O no hydrogen 3.230 N/A ARG 232.A N PHE 257.A O no hydrogen 2.918 N/A ARG 232.A NE ASP 233.A OD1 no hydrogen 3.177 N/A ARG 232.A NE ASP 233.A OD2 no hydrogen 2.941 N/A ARG 232.A NH2 ASP 233.A OD1 no hydrogen 3.372 N/A ARG 232.A NH2 ASP 233.A OD2 no hydrogen 3.066 N/A ASP 233.A N CYS 260.A O no hydrogen 2.965 N/A ASP 234.A N GLY 231.A O no hydrogen 3.088 N/A ARG 235.A NH1 GLU 148.A OE1 no hydrogen 2.968 N/A PHE 236.A N.A ASP 234.A OD1 no hydrogen 2.739 N/A PHE 236.A N.B ASP 234.A OD1 no hydrogen 2.749 N/A VAL 237.A N ASP 234.A OD1 no hydrogen 2.987 N/A HIS 241.A N PRO 238.A O no hydrogen 3.023 N/A HIS 241.A NE2 PRO 139.A O no hydrogen 2.894 N/A GLY 242.A N LEU 239.A O no hydrogen 2.905 N/A LYS 244.A N ASP 240.A O no hydrogen 3.055 N/A LYS 244.A NZ LEU 137.A O no hydrogen 2.683 N/A LEU 245.A N HIS 241.A O no hydrogen 3.178 N/A LEU 246.A N GLY 242.A O no hydrogen 3.077 N/A TRP 247.A N LEU 243.A O no hydrogen 2.832 N/A ASN 248.A N LYS 244.A O no hydrogen 3.064 N/A ASN 248.A N LEU 245.A O no hydrogen 3.216 N/A ASN 248.A ND2 LYS 244.A O no hydrogen 2.726 N/A ILE 249.A N LEU 245.A O no hydrogen 2.877 N/A ARG 253.A N THR 226.A O no hydrogen 3.181 N/A ARG 253.A NE THR 226.A O no hydrogen 3.183 N/A ARG 253.A NH2 THR 226.A O no hydrogen 3.279 N/A ARG 253.A NH2 ASP 251.A OD1 no hydrogen 2.832 N/A HIS 255.A N ILE 228.A O no hydrogen 2.881 N/A HIS 255.A NE2 GLU 271.A OE1 no hydrogen 3.189 N/A PHE 257.A N TRP 230.A O no hydrogen 2.957 N/A CYS 260.A N ASP 233.A OD1 no hydrogen 2.945 N/A CYS 260.A SG GLY 261.A O no hydrogen 3.444 N/A GLY 261.A N GLU 267.A OE2 no hydrogen 2.899 N/A GLN 262.A N PHE 172.A O.A no hydrogen 2.991 N/A GLN 262.A N PHE 172.A O.B no hydrogen 3.029 N/A GLN 262.A NE2.A GLY 133.A O no hydrogen 3.128 N/A TRP 263.A N.A GLU 267.A OE1 no hydrogen 3.026 N/A TRP 263.A N.B GLU 267.A OE1 no hydrogen 2.992 N/A TRP 263.A NE1.B ASN 48.A O no hydrogen 3.076 N/A GLN 265.A N GLN 265.A OE1 no hydrogen 2.602 N/A GLN 265.A NE2 ASN 48.A O no hydrogen 3.243 N/A TRP 266.A N TRP 263.A O.A no hydrogen 3.253 N/A TRP 266.A N TRP 263.A O.B no hydrogen 2.734 N/A TRP 266.A NE1 TYR 50.A OH no hydrogen 3.032 N/A GLU 267.A N TRP 263.A O.A no hydrogen 2.752 N/A GLU 267.A N TRP 263.A O.B no hydrogen 2.808 N/A HIS 268.A N ALA 264.A O no hydrogen 2.849 N/A HIS 268.A NE2 LYS 259.A O no hydrogen 2.774 N/A PHE 272.A N HIS 268.A O no hydrogen 2.922 N/A ASN 273.A N ALA 269.A O no hydrogen 2.743 N/A ASN 273.A ND2 ARG 51.A O no hydrogen 3.131 N/A ARG 274.A N ASP 270.A O no hydrogen 3.066 N/A LEU 275.A N GLU 271.A O no hydrogen 2.984 N/A VAL 276.A N PHE 272.A O no hydrogen 3.005 N/A ILE 277.A N ASN 273.A O no hydrogen 2.982 N/A ASP 278.A N ARG 274.A O no hydrogen 3.020 N/A PHE 279.A N LEU 275.A O no hydrogen 3.006 N/A LEU 280.A N VAL 276.A O no hydrogen 2.825 N/A ARG 281.A N ILE 277.A O no hydrogen 2.843 N/A HIS 282.A N ASP 278.A O no hydrogen 2.857 N/A HIS 282.A ND1 ASP 278.A OD1 no hydrogen 2.945 N/A ALA 283.A N PHE 279.A O no hydrogen 3.043 N/A