Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p4o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 9.A N ALA 7.A O no hydrogen 2.932 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.688 N/A TRP 15.A N ASP 13.A OD1 no hydrogen 2.866 N/A GLU 16.A N ASP 13.A O no hydrogen 3.061 N/A VAL 17.A N VAL 91.A O no hydrogen 2.814 N/A ARG 19.A NH1 PRO 97.A O no hydrogen 3.039 N/A ARG 19.A NH2 GLN 94.A O no hydrogen 2.632 N/A ARG 19.A NH2 PRO 97.A O no hydrogen 3.069 N/A GLU 20.A N GLU 20.A OE2 no hydrogen 2.794 N/A LYS 21.A N ALA 18.A O no hydrogen 2.910 N/A ILE 22.A N ARG 19.A O no hydrogen 3.080 N/A THR 23.A N VAL 40.A O no hydrogen 2.998 N/A SER 25.A N GLU 38.A O no hydrogen 2.838 N/A ARG 26.A N GLU 38.A O no hydrogen 3.372 N/A LEU 28.A N VAL 36.A O no hydrogen 2.831 N/A GLN 30.A NE2 GLY 31.A O no hydrogen 3.574 N/A GLY 31.A N GLY 34.A O no hydrogen 2.826 N/A SER 32.A N GLY 178.A O no hydrogen 3.278 N/A VAL 36.A N GLY 29.A O no hydrogen 2.904 N/A TYR 37.A N ILE 55.A O no hydrogen 2.763 N/A GLU 38.A N ARG 26.A O no hydrogen 2.905 N/A GLY 39.A N VAL 53.A O no hydrogen 2.801 N/A VAL 40.A N THR 23.A O no hydrogen 3.037 N/A ALA 41.A N THR 51.A O no hydrogen 2.919 N/A LYS 42.A N LYS 21.A O no hydrogen 2.895 N/A GLY 43.A N PRO 49.A O no hydrogen 3.296 N/A LYS 46.A NZ ASP 47.A OD1 no hydrogen 3.213 N/A GLU 48.A N VAL 45.A O no hydrogen 3.081 N/A THR 51.A N ALA 41.A O no hydrogen 2.840 N/A THR 51.A OG1 GLU 48.A OE1 no hydrogen 3.102 N/A ARG 52.A NH1 GLU 38.A OE2 no hydrogen 2.923 N/A VAL 53.A N GLY 39.A O no hydrogen 2.857 N/A ALA 54.A N MET 102.A O no hydrogen 2.896 N/A ILE 55.A N TYR 37.A O no hydrogen 2.623 N/A LYS 56.A N VAL 100.A O no hydrogen 2.978 N/A LYS 56.A NZ ASP 176.A OD2 no hydrogen 2.727 N/A LYS 56.A NZ PHE 177.A O no hydrogen 2.875 N/A THR 57.A N MET 35.A O no hydrogen 3.239 N/A THR 57.A OG1 MET 35.A O no hydrogen 2.733 N/A VAL 58.A N THR 98.A O no hydrogen 3.342 N/A ASN 59.A N PHE 33.A O no hydrogen 2.886 N/A ALA 61.A N ASN 59.A OD1 no hydrogen 2.721 N/A ALA 62.A N ASN 59.A O no hydrogen 2.856 N/A SER 63.A N GLU 66.A OE1 no hydrogen 2.809 N/A SER 63.A OG GLU 66.A OE1 no hydrogen 3.367 N/A GLU 66.A N SER 63.A OG no hydrogen 3.141 N/A ARG 67.A N SER 63.A O no hydrogen 3.103 N/A ARG 67.A NE SER 63.A O no hydrogen 3.248 N/A ILE 68.A N MET 64.A O no hydrogen 2.943 N/A GLU 69.A N ARG 65.A O no hydrogen 2.865 N/A PHE 70.A N GLU 66.A O no hydrogen 3.007 N/A LEU 71.A N ARG 67.A O no hydrogen 3.123 N/A ASN 72.A N ILE 68.A O no hydrogen 2.765 N/A GLU 73.A N GLU 69.A O no hydrogen 2.936 N/A ALA 74.A N PHE 70.A O no hydrogen 3.142 N/A SER 75.A N LEU 71.A O no hydrogen 2.921 N/A SER 75.A OG LEU 71.A O no hydrogen 2.938 N/A VAL 76.A N ASN 72.A O no hydrogen 3.339 N/A VAL 76.A N GLU 73.A O no hydrogen 3.313 N/A MET 77.A N ALA 74.A O no hydrogen 2.990 N/A LYS 78.A N SER 75.A O no hydrogen 2.998 N/A LYS 78.A NZ TYR 10.A OH no hydrogen 2.851 N/A LYS 78.A NZ ASP 13.A OD1 no hydrogen 3.379 N/A LYS 78.A NZ ASP 13.A OD2 no hydrogen 2.615 N/A PHE 80.A N MET 77.A O no hydrogen 2.944 N/A ASN 81.A N TYR 148.A OH no hydrogen 2.828 N/A HIS 84.A ND1 ASP 144.A OD2 no hydrogen 2.690 N/A VAL 85.A N CYS 82.A O no hydrogen 3.213 N/A VAL 86.A N ILE 174.A O no hydrogen 2.969 N/A ARG 87.A N GLU 103.A OE2 no hydrogen 2.926 N/A LEU 89.A N ILE 101.A O no hydrogen 2.753 N/A GLY 90.A N ILE 101.A O no hydrogen 3.166 N/A VAL 91.A N TRP 15.A O no hydrogen 2.910 N/A VAL 92.A N LEU 99.A O no hydrogen 2.885 N/A SER 93.A N GLU 16.A OE2 no hydrogen 2.849 N/A SER 93.A OG GLU 16.A OE1 no hydrogen 2.778 N/A SER 93.A OG GLU 16.A OE2 no hydrogen 3.363 N/A SER 93.A OG GLN 94.A OE1 no hydrogen 3.312 N/A LEU 99.A N VAL 92.A O no hydrogen 3.010 N/A VAL 100.A N LYS 56.A O no hydrogen 2.959 N/A ILE 101.A N GLY 90.A O no hydrogen 2.748 N/A MET 102.A N ALA 54.A O no hydrogen 2.881 N/A GLU 103.A N ARG 87.A O no hydrogen 2.883 N/A THR 106.A OG1 GLU 168.A OE2 no hydrogen 2.628 N/A ARG 107.A N VAL 166.A O no hydrogen 3.048 N/A ARG 107.A NE GLU 168.A O no hydrogen 2.850 N/A ARG 107.A NH1 GLU 168.A O no hydrogen 3.045 N/A GLY 108.A N MET 105.A O no hydrogen 3.137 N/A LEU 110.A N CYS 164.A O no hydrogen 2.835 N/A LYS 111.A NZ ASP 187.A OD1 no hydrogen 3.297 N/A LYS 111.A NZ ASP 187.A OD2 no hydrogen 2.743 N/A LYS 111.A NZ GLN 234.A OE1 no hydrogen 2.585 N/A SER 112.A N ASP 109.A OD2 no hydrogen 2.884 N/A SER 112.A OG ASP 109.A OD1 no hydrogen 2.559 N/A SER 112.A OG ASP 109.A OD2 no hydrogen 3.312 N/A SER 112.A OG TYR 184.A OH no hydrogen 2.753 N/A TYR 113.A N ASP 109.A O no hydrogen 2.995 N/A LEU 114.A N LEU 110.A O no hydrogen 2.847 N/A ARG 115.A N LYS 111.A O no hydrogen 3.039 N/A ARG 115.A NE ALA 232.A O no hydrogen 2.741 N/A ARG 115.A NH2 ALA 232.A O no hydrogen 2.872 N/A ARG 115.A NH2 GLN 234.A OE1 no hydrogen 2.553 N/A SER 116.A N SER 112.A O no hydrogen 3.069 N/A SER 116.A N TYR 113.A O no hydrogen 3.188 N/A SER 116.A OG TYR 113.A O no hydrogen 2.671 N/A LEU 117.A N LEU 114.A O no hydrogen 3.209 N/A ARG 118.A NH1 GLU 233.A OE2 no hydrogen 2.601 N/A ARG 118.A NH2 GLU 233.A OE2 no hydrogen 2.674 N/A MET 121.A N LEU 117.A O no hydrogen 3.176 N/A ALA 122.A N ARG 118.A O no hydrogen 2.995 N/A ASN 123.A N PRO 119.A O no hydrogen 3.203 N/A ASN 123.A N ALA 120.A O no hydrogen 3.306 N/A ASN 124.A N MET 121.A O no hydrogen 3.269 N/A VAL 126.A N ASN 124.A OD1 no hydrogen 2.918 N/A LEU 127.A N ASN 124.A O no hydrogen 3.022 N/A LYS 134.A N SER 131.A OG no hydrogen 3.165 N/A MET 135.A N SER 131.A O no hydrogen 3.011 N/A ILE 136.A N LEU 132.A O no hydrogen 2.866 N/A GLN 137.A N SER 133.A O no hydrogen 3.049 N/A GLN 137.A NE2 GLU 141.A OE1 no hydrogen 3.051 N/A MET 138.A N LYS 134.A O no hydrogen 3.096 N/A ALA 139.A N MET 135.A O no hydrogen 2.958 N/A GLY 140.A N ILE 136.A O no hydrogen 2.855 N/A GLU 141.A N GLN 137.A O no hydrogen 3.029 N/A ILE 142.A N MET 138.A O no hydrogen 2.942 N/A ALA 143.A N ALA 139.A O no hydrogen 2.871 N/A ASP 144.A N GLY 140.A O no hydrogen 2.822 N/A GLY 145.A N GLU 141.A O no hydrogen 3.087 N/A MET 146.A N ILE 142.A O no hydrogen 2.992 N/A ALA 147.A N ALA 143.A O no hydrogen 2.785 N/A TYR 148.A N ASP 144.A O no hydrogen 2.977 N/A LEU 149.A N GLY 145.A O no hydrogen 3.055 N/A ASN 150.A N MET 146.A O no hydrogen 2.825 N/A ASN 150.A ND2 PHE 154.A O no hydrogen 2.786 N/A ALA 151.A N ALA 147.A O no hydrogen 2.858 N/A ASN 152.A N TYR 148.A O no hydrogen 3.196 N/A ASN 152.A N LEU 149.A O no hydrogen 2.985 N/A ASN 152.A ND2 TYR 148.A O no hydrogen 2.897 N/A LYS 153.A N ASN 150.A O no hydrogen 2.879 N/A PHE 154.A N LEU 149.A O no hydrogen 2.947 N/A HIS 156.A N ASP 217.A OD1 no hydrogen 2.780 N/A HIS 156.A N ASP 217.A OD2 no hydrogen 3.334 N/A ARG 157.A N ASP 217.A OD2 no hydrogen 3.151 N/A ASP 158.A N HIS 156.A ND1 no hydrogen 3.024 N/A ALA 161.A N GLU 227.A OE1 no hydrogen 2.899 N/A ARG 162.A NE TYR 188.A OH no hydrogen 2.792 N/A ARG 162.A NH2 ASP 158.A OD1 no hydrogen 2.948 N/A ASN 163.A N ALA 160.A O no hydrogen 2.881 N/A ASN 163.A ND2 ASP 158.A O no hydrogen 2.806 N/A ASN 163.A ND2 ASP 158.A OD2 no hydrogen 2.899 N/A CYS 164.A N ALA 161.A O no hydrogen 3.067 N/A CYS 164.A SG ALA 160.A O no hydrogen 3.565 N/A MET 165.A N LYS 173.A O no hydrogen 2.845 N/A VAL 166.A N GLY 108.A O no hydrogen 2.785 N/A ALA 167.A N THR 171.A O no hydrogen 2.880 N/A PHE 170.A N ALA 167.A O no hydrogen 2.805 N/A THR 171.A N ASP 169.A OD2 no hydrogen 3.009 N/A THR 171.A OG1 ASP 169.A OD1 no hydrogen 3.422 N/A THR 171.A OG1 ASP 169.A OD2 no hydrogen 2.742 N/A VAL 172.A N GLU 141.A OE2 no hydrogen 2.948 N/A LYS 173.A N MET 165.A O no hydrogen 2.922 N/A LYS 173.A NZ HIS 83.A O no hydrogen 3.040 N/A LYS 173.A NZ GLU 103.A OE1 no hydrogen 2.607 N/A ILE 174.A N HIS 84.A O no hydrogen 2.828 N/A GLY 175.A N ASN 163.A O no hydrogen 2.936 N/A THR 180.A OG1 ASN 163.A OD1 no hydrogen 2.679 N/A ARG 181.A NH2 SER 112.A OG no hydrogen 2.915 N/A TYR 184.A N ARG 181.A O no hydrogen 3.017 N/A TYR 184.A OH SER 112.A OG no hydrogen 2.753 N/A GLU 185.A N ASP 182.A O no hydrogen 3.165 N/A ASP 187.A N TYR 184.A O no hydrogen 2.885 N/A TYR 188.A N GLU 185.A O no hydrogen 3.151 N/A TYR 188.A OH ASP 158.A OD1 no hydrogen 3.402 N/A TYR 188.A OH ASP 158.A OD2 no hydrogen 2.570 N/A TYR 189.A N LEU 197.A O no hydrogen 2.759 N/A TYR 189.A OH GLU 242.A OE1 no hydrogen 3.050 N/A ARG 190.A NH1 LYS 194.A O no hydrogen 3.324 N/A LYS 191.A N TYR 189.A O no hydrogen 2.839 N/A LYS 191.A NZ LEU 207.A O no hydrogen 2.974 N/A GLY 193.A N ARG 190.A O no hydrogen 2.759 N/A LYS 194.A N LYS 191.A O no hydrogen 3.035 N/A LEU 197.A N TYR 189.A O no hydrogen 2.842 N/A ARG 200.A NE ASN 241.A OD1 no hydrogen 3.252 N/A ARG 200.A NH1 PRO 235.A O no hydrogen 2.877 N/A ARG 200.A NH1 TYR 236.A O no hydrogen 3.047 N/A ARG 200.A NH1 LEU 239.A O no hydrogen 3.184 N/A ARG 200.A NH2 LEU 239.A O no hydrogen 2.832 N/A TRP 201.A N PRO 198.A O no hydrogen 2.888 N/A TRP 201.A NE1 GLU 227.A OE1 no hydrogen 2.923 N/A MET 202.A N VAL 199.A O no hydrogen 3.325 N/A SER 203.A OG SER 206.A OG no hydrogen 2.896 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.798 N/A SER 206.A N SER 203.A O no hydrogen 3.123 N/A SER 206.A N SER 203.A OG no hydrogen 3.165 N/A SER 206.A OG SER 203.A OG no hydrogen 2.896 N/A SER 206.A OG VAL 211.A O no hydrogen 2.689 N/A LEU 207.A N SER 203.A O no hydrogen 3.037 N/A LYS 208.A N PRO 204.A O no hydrogen 2.839 N/A ASP 209.A N GLU 205.A O no hydrogen 2.779 N/A GLY 210.A N SER 206.A O no hydrogen 2.937 N/A THR 213.A N SER 216.A OG no hydrogen 2.702 N/A THR 214.A OG1 ASN 150.A OD1 no hydrogen 2.212 N/A TYR 215.A N THR 213.A OG1 no hydrogen 3.047 N/A SER 216.A N THR 213.A OG1 no hydrogen 3.415 N/A SER 216.A OG THR 213.A O no hydrogen 2.702 N/A ASP 217.A N THR 213.A O no hydrogen 3.061 N/A VAL 218.A N THR 214.A O no hydrogen 2.985 N/A TRP 219.A N TYR 215.A O no hydrogen 3.157 N/A SER 220.A N SER 216.A O no hydrogen 3.058 N/A SER 220.A OG TRP 201.A O no hydrogen 2.681 N/A SER 220.A OG SER 216.A O no hydrogen 3.312 N/A PHE 221.A N ASP 217.A O no hydrogen 2.866 N/A GLY 222.A N VAL 218.A O no hydrogen 3.077 N/A VAL 223.A N TRP 219.A O no hydrogen 3.280 N/A VAL 224.A N SER 220.A O no hydrogen 2.896 N/A LEU 225.A N PHE 221.A O no hydrogen 2.917 N/A TRP 226.A N GLY 222.A O no hydrogen 3.064 N/A TRP 226.A NE1 ASP 255.A O no hydrogen 3.009 N/A GLU 227.A N VAL 223.A O no hydrogen 2.843 N/A ILE 228.A N VAL 224.A O no hydrogen 2.898 N/A ALA 229.A N LEU 225.A O no hydrogen 2.946 N/A THR 230.A N TRP 226.A O no hydrogen 3.022 N/A THR 230.A N GLU 227.A O no hydrogen 3.187 N/A THR 230.A OG1 TRP 226.A O no hydrogen 2.893 N/A THR 230.A OG1 GLU 227.A O no hydrogen 3.283 N/A LEU 231.A N ILE 228.A O no hydrogen 3.411 N/A ALA 232.A N GLU 227.A O no hydrogen 2.650 N/A GLU 233.A N THR 230.A OG1 no hydrogen 3.148 N/A GLN 234.A NE2 ASP 187.A OD1 no hydrogen 3.158 N/A LEU 239.A N TYR 236.A O no hydrogen 2.802 N/A SER 240.A N GLN 243.A OE1 no hydrogen 2.905 N/A GLN 243.A N SER 240.A OG no hydrogen 3.250 N/A VAL 244.A N SER 240.A O no hydrogen 2.934 N/A LEU 245.A N ASN 241.A O no hydrogen 3.109 N/A ARG 246.A N GLU 242.A O no hydrogen 3.384 N/A ARG 246.A NE GLU 250.A OE2 no hydrogen 2.852 N/A PHE 247.A N GLN 243.A O no hydrogen 2.857 N/A VAL 248.A N VAL 244.A O no hydrogen 2.911 N/A MET 249.A N LEU 245.A O no hydrogen 3.173 N/A GLU 250.A N ARG 246.A O no hydrogen 2.977 N/A GLY 251.A N VAL 248.A O no hydrogen 3.075 N/A GLY 252.A N PHE 247.A O no hydrogen 2.745 N/A LYS 256.A NZ ASP 262.A OD1 no hydrogen 2.696 N/A CYS 260.A N PRO 257.A O no hydrogen 3.223 N/A CYS 260.A SG PRO 261.A O no hydrogen 3.491 N/A LEU 264.A N PRO 261.A O no hydrogen 3.144 N/A PHE 265.A N PRO 261.A O no hydrogen 3.244 N/A GLU 266.A N ASP 262.A O no hydrogen 2.890 N/A LEU 267.A N MET 263.A O no hydrogen 3.096 N/A MET 268.A N LEU 264.A O no hydrogen 3.054 N/A ARG 269.A N PHE 265.A O no hydrogen 2.901 N/A MET 270.A N GLU 266.A O no hydrogen 3.105 N/A CYS 271.A N LEU 267.A O no hydrogen 2.976 N/A CYS 271.A SG LEU 267.A O no hydrogen 3.382 N/A TRP 272.A N MET 268.A O no hydrogen 2.920 N/A TRP 272.A N ARG 269.A O no hydrogen 3.255 N/A GLN 273.A N MET 270.A O no hydrogen 3.448 N/A TYR 274.A OH MET 249.A O no hydrogen 2.630 N/A MET 278.A N ASN 275.A O no hydrogen 2.970 N/A ARG 279.A N PRO 276.A O no hydrogen 3.124 N/A ARG 279.A NE GLN 273.A O no hydrogen 2.767 N/A ARG 279.A NH1 GLU 205.A OE2 no hydrogen 2.809 N/A ARG 279.A NH1 TYR 215.A O no hydrogen 3.023 N/A ARG 279.A NH2 GLU 205.A OE1 no hydrogen 2.918 N/A ARG 279.A NH2 GLN 273.A O no hydrogen 3.179 N/A SER 281.A N GLU 284.A OE1 no hydrogen 2.923 N/A SER 281.A OG GLU 284.A OE1 no hydrogen 3.533 N/A GLU 284.A N SER 281.A OG no hydrogen 3.065 N/A ILE 285.A N SER 281.A O no hydrogen 2.977 N/A ILE 286.A N PHE 282.A O no hydrogen 3.007 N/A SER 287.A N LEU 283.A O no hydrogen 2.953 N/A SER 288.A N GLU 284.A O no hydrogen 3.098 N/A SER 288.A N ILE 285.A O no hydrogen 3.175 N/A SER 288.A OG ILE 285.A O no hydrogen 2.645 N/A ILE 289.A N ILE 286.A O no hydrogen 2.976 N/A LYS 290.A NZ TYR 303.A OH no hydrogen 3.209 N/A GLU 292.A N ILE 289.A O no hydrogen 2.840 N/A MET 293.A N LYS 290.A O no hydrogen 3.274 N/A GLU 294.A N GLN 137.A OE1 no hydrogen 2.886 N/A PHE 297.A N GLU 294.A O no hydrogen 2.850 N/A ARG 298.A N PRO 295.A O no hydrogen 3.228 N/A GLU 299.A N GLY 296.A O no hydrogen 3.022 N/A VAL 300.A N GLY 296.A O no hydrogen 3.294 N/A SER 301.A N PHE 297.A O no hydrogen 2.951 N/A SER 301.A OG PHE 297.A O no hydrogen 2.785 N/A PHE 302.A N ASP 144.A OD2 no hydrogen 2.778 N/A TYR 303.A N ASP 144.A OD1 no hydrogen 2.845 N/A TYR 304.A N SER 301.A OG no hydrogen 3.221 N/A SER 305.A N PHE 302.A O no hydrogen 2.919 N/A SER 305.A OG PHE 302.A O no hydrogen 2.673 N/A GLU 307.A N SER 305.A OG no hydrogen 3.238 N/A ASN 308.A N SER 305.A O no hydrogen 3.147 N/A ASN 308.A ND2 TYR 303.A O no hydrogen 2.796 N/A