Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dpt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 31.A O no hydrogen 3.436 N/A TRP 2.A NE1 GLU 38.A OE2 no hydrogen 3.008 N/A VAL 5.A N SER 1.A O no hydrogen 2.984 N/A LYS 6.A N TRP 2.A O no hydrogen 2.858 N/A GLU 7.A N ILE 3.A O no hydrogen 2.904 N/A LYS 8.A N LYS 4.A O no hydrogen 2.781 N/A LEU 9.A N VAL 5.A O no hydrogen 2.832 N/A VAL 10.A N LYS 6.A O no hydrogen 2.900 N/A GLU 11.A N GLU 7.A O no hydrogen 2.927 N/A ALA 12.A N LYS 8.A O no hydrogen 3.091 N/A THR 13.A N LEU 9.A O no hydrogen 2.982 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.603 N/A THR 13.A OG1 VAL 10.A O no hydrogen 3.012 N/A THR 14.A N VAL 10.A O no hydrogen 2.923 N/A THR 14.A OG1 VAL 10.A O no hydrogen 2.979 N/A ALA 15.A N GLU 11.A O no hydrogen 3.072 N/A GLN 16.A NE2 TYR 18.A O no hydrogen 3.590 N/A GLN 16.A NE2 GLU 23.A OE1 no hydrogen 3.512 N/A GLN 16.A NE2 GLU 23.A OE2 no hydrogen 3.232 N/A ARG 17.A NH1 GLU 112.A OE2 no hydrogen 3.324 N/A TYR 18.A OH GLU 112.A OE2 no hydrogen 2.579 N/A LEU 19.A N VAL 65.A O no hydrogen 2.882 N/A ASN 20.A N GLU 23.A OE1 no hydrogen 2.818 N/A ARG 21.A N SER 61.A O no hydrogen 2.879 N/A THR 22.A OG1 ASN 20.A OD1 no hydrogen 3.181 N/A GLU 23.A N ASN 20.A OD1 no hydrogen 2.882 N/A VAL 24.A N ASN 20.A O no hydrogen 2.947 N/A GLU 25.A N ARG 21.A O no hydrogen 2.830 N/A LYS 26.A N THR 22.A O no hydrogen 2.937 N/A ILE 27.A N GLU 23.A O no hydrogen 3.249 N/A CYS 28.A N VAL 24.A O no hydrogen 2.995 N/A CYS 28.A SG VAL 24.A O no hydrogen 3.452 N/A ASN 29.A N GLU 25.A O no hydrogen 2.817 N/A ASP 30.A N LYS 26.A O no hydrogen 2.810 N/A SER 31.A N ILE 27.A O no hydrogen 3.042 N/A SER 31.A OG ILE 27.A O no hydrogen 2.997 N/A GLY 32.A N ASN 29.A O no hydrogen 2.909 N/A GLY 37.A N ASP 35.A OD2 no hydrogen 2.840 N/A ARG 39.A N ASP 35.A O no hydrogen 3.032 N/A LYS 40.A N PRO 36.A O no hydrogen 3.231 N/A THR 41.A N GLY 37.A O no hydrogen 3.348 N/A THR 41.A OG1 GLU 38.A O no hydrogen 3.302 N/A LEU 42.A N GLU 38.A O no hydrogen 2.856 N/A LEU 43.A N ARG 39.A O no hydrogen 3.083 N/A GLY 44.A N LYS 40.A O no hydrogen 3.009 N/A TYR 45.A N THR 41.A O no hydrogen 3.012 N/A TYR 45.A N LEU 42.A O no hydrogen 3.189 N/A LEU 46.A N LEU 42.A O no hydrogen 3.027 N/A ASN 47.A N LEU 43.A O no hydrogen 3.112 N/A ASN 48.A N GLY 44.A O no hydrogen 2.938 N/A LEU 49.A N TYR 45.A O no hydrogen 2.894 N/A GLY 50.A N ASN 47.A O no hydrogen 2.896 N/A ILE 51.A N LEU 46.A O no hydrogen 3.016 N/A LEU 53.A N LEU 66.A O no hydrogen 2.868 N/A TYR 54.A N ASN 47.A OD1 no hydrogen 3.134 N/A LEU 58.A N PHE 55.A O no hydrogen 2.972 N/A ASP 59.A N PHE 55.A O no hydrogen 2.702 N/A TYR 64.A N LEU 19.A O no hydrogen 3.011 N/A VAL 65.A N LEU 19.A O no hydrogen 3.276 N/A LEU 66.A N LEU 53.A O no hydrogen 2.800 N/A ASP 67.A N ARG 17.A O no hydrogen 3.366 N/A HIS 69.A N ASP 67.A OD1 no hydrogen 3.321 N/A VAL 71.A N ASP 67.A O no hydrogen 3.297 N/A THR 72.A N PRO 68.A O no hydrogen 2.858 N/A THR 72.A OG1 PRO 68.A O no hydrogen 2.769 N/A ILE 73.A N HIS 69.A O no hydrogen 3.006 N/A GLY 74.A N TRP 70.A O no hydrogen 3.233 N/A VAL 75.A N VAL 71.A O no hydrogen 2.952 N/A TYR 76.A N THR 72.A O no hydrogen 2.946 N/A TYR 76.A OH ARG 104.A O no hydrogen 3.304 N/A ARG 77.A N ILE 73.A O no hydrogen 2.955 N/A ILE 78.A N GLY 74.A O no hydrogen 3.156 N/A ILE 79.A N VAL 75.A O no hydrogen 2.816 N/A ASN 80.A N TYR 76.A O no hydrogen 2.784 N/A SER 81.A OG GLU 101.A OE1 no hydrogen 2.699 N/A SER 82.A N GLU 101.A OE2 no hydrogen 3.009 N/A SER 82.A OG GLU 101.A OE2 no hydrogen 2.928 N/A LYS 83.A N SER 81.A OG no hydrogen 2.889 N/A THR 84.A N SER 81.A O no hydrogen 3.190 N/A THR 84.A OG1 ILE 78.A O no hydrogen 2.650 N/A THR 84.A OG1 SER 81.A O no hydrogen 3.175 N/A GLY 87.A N THR 84.A O no hydrogen 3.179 N/A LEU 89.A N PHE 134.A O no hydrogen 2.992 N/A THR 91.A N GLY 132.A O no hydrogen 3.100 N/A THR 91.A OG1 GLY 132.A O no hydrogen 3.140 N/A ALA 93.A N ASN 90.A O no hydrogen 3.126 N/A LEU 94.A N THR 91.A O no hydrogen 3.221 N/A ILE 97.A N ALA 93.A O no hydrogen 3.007 N/A LEU 98.A N LEU 94.A O no hydrogen 2.993 N/A ASN 99.A N GLY 95.A O no hydrogen 2.946 N/A ASN 99.A N TYR 96.A O no hydrogen 3.167 N/A ASN 99.A ND2 GLY 95.A O no hydrogen 3.438 N/A ASN 99.A ND2 TYR 108.A O no hydrogen 3.135 N/A GLU 100.A N TYR 96.A O no hydrogen 2.694 N/A GLU 101.A N TYR 96.A O no hydrogen 2.991 N/A TYR 108.A N ASN 99.A OD1 no hydrogen 2.947 N/A TYR 108.A OH TRP 70.A O no hydrogen 2.812 N/A THR 109.A N GLU 112.A OE1 no hydrogen 2.666 N/A GLN 113.A N THR 109.A O no hydrogen 2.788 N/A GLN 113.A NE2 TYR 108.A O no hydrogen 3.027 N/A ARG 114.A N LEU 110.A O no hydrogen 2.972 N/A TYR 115.A N LEU 111.A O no hydrogen 2.804 N/A LEU 116.A N GLU 112.A O no hydrogen 3.006 N/A LEU 117.A N GLN 113.A O no hydrogen 3.101 N/A ASP 118.A N ARG 114.A O no hydrogen 3.059 N/A ILE 119.A N TYR 115.A O no hydrogen 2.958 N/A MET 120.A N LEU 116.A O no hydrogen 2.962 N/A LYS 121.A N LEU 117.A O no hydrogen 2.861 N/A GLN 122.A N ASP 118.A O no hydrogen 2.759 N/A PHE 123.A N ILE 119.A O no hydrogen 2.765 N/A GLU 124.A N LYS 121.A O no hydrogen 2.686 N/A LEU 125.A N MET 120.A O no hydrogen 2.934 N/A TYR 127.A N ILE 135.A O no hydrogen 3.142 N/A TYR 127.A OH GLN 186.A OE1 no hydrogen 3.194 N/A GLU 129.A N LEU 133.A O no hydrogen 2.984 N/A PHE 134.A N LEU 89.A O no hydrogen 2.757 N/A ILE 135.A N TYR 127.A O no hydrogen 2.852 N/A ILE 136.A N GLY 87.A O no hydrogen 2.887 N/A ASN 139.A N ILE 136.A O no hydrogen 2.782 N/A ASN 139.A ND2 ILE 79.A O no hydrogen 2.789 N/A ASN 139.A ND2 THR 84.A O no hydrogen 2.880 N/A LEU 140.A N PRO 137.A O no hydrogen 3.081 N/A LEU 156.A N ILE 218.A O no hydrogen 2.758 N/A PHE 158.A N ILE 216.A O no hydrogen 2.870 N/A ILE 159.A N PHE 251.A O no hydrogen 3.035 N/A MET 160.A N ILE 214.A O no hydrogen 2.831 N/A LYS 161.A N LYS 249.A O no hydrogen 2.974 N/A TYR 162.A N SER 212.A O no hydrogen 3.007 N/A TYR 162.A OH ASN 240.A OD1 no hydrogen 3.032 N/A ASP 163.A N ASP 247.A O no hydrogen 3.126 N/A ILE 169.A N PRO 166.A O no hydrogen 3.427 N/A ARG 172.A N THR 168.A O no hydrogen 2.964 N/A LEU 173.A N ILE 169.A O no hydrogen 2.915 N/A MET 174.A N ILE 170.A O no hydrogen 3.003 N/A ILE 175.A N PRO 171.A O no hydrogen 3.195 N/A ALA 176.A N ARG 172.A O no hydrogen 2.995 N/A MET 177.A N LEU 173.A O no hydrogen 2.802 N/A MET 177.A N MET 174.A O no hydrogen 3.352 N/A GLN 178.A NE2 ILE 175.A O no hydrogen 3.098 N/A GLN 180.A N MET 177.A O no hydrogen 2.874 N/A ILE 181.A N GLN 178.A O no hydrogen 3.487 N/A LEU 182.A N VAL 192.A O no hydrogen 3.103 N/A ARG 184.A NH1 GLU 129.A OE2 no hydrogen 2.808 N/A TRP 187.A N GLY 190.A O no hydrogen 2.816 N/A ARG 188.A N PRO 141.A O no hydrogen 2.880 N/A ARG 188.A NE SER 138.A O no hydrogen 3.049 N/A ARG 188.A NE LEU 140.A O no hydrogen 3.015 N/A GLY 190.A N TRP 187.A O no hydrogen 3.224 N/A MET 191.A N VAL 205.A O no hydrogen 3.058 N/A VAL 192.A N MET 185.A O no hydrogen 2.939 N/A LEU 193.A N ALA 203.A O no hydrogen 2.891 N/A LYS 194.A N GLN 180.A O no hydrogen 2.989 N/A SER 195.A N ALA 201.A O no hydrogen 3.398 N/A HIS 198.A ND1 GLU 227.A OE1 no hydrogen 3.244 N/A LEU 202.A N GLN 219.A O no hydrogen 3.150 N/A ALA 203.A N LEU 193.A O no hydrogen 2.816 N/A LYS 204.A N ALA 217.A O no hydrogen 2.844 N/A LYS 204.A NZ GLU 147.A OE2 no hydrogen 2.716 N/A LYS 204.A NZ PRO 148.A O no hydrogen 2.777 N/A VAL 205.A N MET 191.A O no hydrogen 3.067 N/A VAL 206.A N THR 215.A O no hydrogen 2.879 N/A ALA 207.A N TYR 189.A O no hydrogen 2.736 N/A GLU 208.A N THR 213.A O no hydrogen 2.956 N/A SER 212.A N THR 209.A O no hydrogen 2.782 N/A SER 212.A OG TYR 162.A O no hydrogen 2.641 N/A THR 213.A N GLU 208.A O no hydrogen 3.084 N/A THR 213.A OG1 MET 160.A O no hydrogen 3.531 N/A ILE 214.A N MET 160.A O no hydrogen 2.829 N/A THR 215.A N VAL 206.A O no hydrogen 2.775 N/A ILE 216.A N PHE 158.A O no hydrogen 2.864 N/A ALA 217.A N LYS 204.A O no hydrogen 3.060 N/A ILE 218.A N LEU 156.A O no hydrogen 2.718 N/A GLN 219.A N LEU 202.A O no hydrogen 3.003 N/A CYS 224.A SG GLU 199.A O no hydrogen 3.431 N/A LYS 225.A N GLU 221.A O no hydrogen 3.265 N/A LYS 225.A NZ GLU 154.A O no hydrogen 2.791 N/A LYS 225.A NZ GLY 220.A O no hydrogen 3.057 N/A ARG 226.A N PRO 222.A O no hydrogen 3.249 N/A ARG 226.A NE ASP 294.A O no hydrogen 3.049 N/A GLU 227.A N ARG 223.A O no hydrogen 2.993 N/A TYR 228.A N CYS 224.A O no hydrogen 3.003 N/A LEU 229.A N LYS 225.A O no hydrogen 3.113 N/A SER 230.A N ARG 226.A O no hydrogen 3.169 N/A ILE 231.A N GLU 227.A O no hydrogen 3.326 N/A ILE 232.A N TYR 228.A O no hydrogen 2.794 N/A TRP 233.A N LEU 229.A O no hydrogen 2.818 N/A TRP 233.A NE1 GLU 250.A OE2 no hydrogen 3.153 N/A TYR 234.A N SER 230.A O no hydrogen 3.084 N/A GLU 235.A N ILE 231.A O no hydrogen 3.035 N/A ILE 236.A N ILE 232.A O no hydrogen 3.027 N/A LYS 237.A N TRP 233.A O no hydrogen 2.891 N/A LYS 238.A N TYR 234.A O no hydrogen 3.112 N/A LYS 238.A NZ GLU 235.A OE2 no hydrogen 3.311 N/A ILE 239.A N GLU 235.A O no hydrogen 3.349 N/A ASN 240.A N ILE 236.A O no hydrogen 2.886 N/A ASN 240.A ND2 TYR 162.A OH no hydrogen 2.818 N/A ALA 241.A N LYS 237.A O no hydrogen 2.975 N/A ALA 241.A N LYS 238.A O no hydrogen 3.167 N/A ASN 242.A N ILE 239.A O no hydrogen 3.223 N/A ASN 242.A ND2 ILE 239.A O no hydrogen 3.185 N/A PHE 243.A N ASN 240.A O no hydrogen 2.971 N/A LYS 249.A N LYS 161.A O no hydrogen 3.120 N/A PHE 251.A N ILE 159.A O no hydrogen 2.811 N/A ILE 252.A N VAL 262.A O no hydrogen 2.884 N/A LEU 254.A N GLU 260.A O no hydrogen 2.851 N/A HIS 257.A N LEU 254.A O no hydrogen 2.966 N/A GLU 260.A N HIS 257.A O no hydrogen 2.995 N/A VAL 262.A N ILE 252.A O no hydrogen 2.885 N/A TYR 264.A N GLU 250.A O no hydrogen 2.701 N/A GLU 266.A N GLU 263.A O no hydrogen 2.994 N/A LEU 267.A N GLU 263.A O no hydrogen 3.458 N/A LEU 268.A N TYR 264.A O no hydrogen 3.211 N/A GLY 269.A N LYS 265.A O no hydrogen 3.152 N/A LEU 270.A N GLU 266.A O no hydrogen 2.938 N/A GLU 271.A N LEU 267.A O no hydrogen 3.115 N/A LYS 272.A N LEU 268.A O no hydrogen 2.977 N/A MET 273.A N GLY 269.A O no hydrogen 2.971 N/A GLY 274.A N GLU 271.A O no hydrogen 2.819 N/A ARG 275.A N LEU 270.A O no hydrogen 2.747 N/A TYR 278.A N PHE 287.A O no hydrogen 2.745 N/A SER 280.A N LYS 285.A O no hydrogen 2.932 N/A LEU 283.A N SER 280.A OG no hydrogen 3.176 N/A GLU 284.A N GLY 281.A O no hydrogen 3.167 N/A LYS 285.A N SER 280.A O no hydrogen 3.251 N/A LYS 285.A NZ HIS 257.A NE2 no hydrogen 3.154 N/A PHE 287.A N TYR 278.A O no hydrogen 2.898 N/A SER 288.A OG ASP 276.A OD1 no hydrogen 3.499 N/A VAL 289.A N ASP 276.A O no hydrogen 2.641 N/A SER 290.A N ASP 276.A OD1 no hydrogen 3.024 N/A SER 290.A OG ASP 276.A OD1 no hydrogen 2.714 N/A LYS 291.A N SER 288.A OG no hydrogen 3.186 N/A MET 292.A N SER 288.A O no hydrogen 3.230 N/A LEU 293.A N VAL 289.A O no hydrogen 3.049 N/A ASP 294.A N SER 290.A O no hydrogen 2.793 N/A SER 295.A N LYS 291.A O no hydrogen 3.307 N/A SER 295.A N MET 292.A O no hydrogen 3.361 N/A SER 295.A OG MET 292.A O no hydrogen 2.633 N/A VAL 296.A N LEU 293.A O no hydrogen 2.883 N/A ILE 297.A N LEU 293.A O no hydrogen 2.925 N/A