Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xci_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 10.A N GLU 6.A O no hydrogen 3.099 N/A ARG 10.A NE PHE 5.A O no hydrogen 2.785 N/A ARG 10.A NH1 PHE 55.A O no hydrogen 2.958 N/A ARG 10.A NH2 PHE 55.A O no hydrogen 2.912 N/A PHE 11.A N VAL 7.A O no hydrogen 2.942 N/A PHE 12.A N LEU 8.A O no hydrogen 2.835 N/A LYS 14.A N HIS 74.A NE2 no hydrogen 3.260 N/A LEU 17.A N LYS 14.A O no hydrogen 2.951 N/A LYS 18.A N GLU 15.A O no hydrogen 2.925 N/A LYS 18.A NZ GLU 15.A OE1 no hydrogen 3.139 N/A ASN 19.A N SER 16.A O no hydrogen 2.873 N/A CYS 20.A N LEU 17.A O no hydrogen 2.988 N/A GLY 22.A N SER 91.A O no hydrogen 3.269 N/A GLY 22.A N LYS 92.A O no hydrogen 2.920 N/A LEU 24.A N ARG 49.A O no hydrogen 2.897 N/A TRP 25.A N ALA 95.A O no hydrogen 2.982 N/A TRP 25.A NE1 THR 53.A OG1 no hydrogen 2.957 N/A VAL 26.A N LEU 51.A O no hydrogen 2.802 N/A HIS 27.A N ILE 97.A O no hydrogen 2.925 N/A HIS 27.A ND1 THR 53.A OG1 no hydrogen 2.949 N/A HIS 27.A NE2 GLU 102.A OE1 no hydrogen 2.782 N/A THR 28.A N THR 53.A O no hydrogen 2.923 N/A SER 30.A N GLU 33.A OE2 no hydrogen 2.757 N/A GLU 33.A N GLU 33.A OE2 no hydrogen 2.768 N/A PHE 34.A N SER 30.A O no hydrogen 3.118 N/A ASN 35.A N ILE 31.A O no hydrogen 2.932 N/A THR 36.A N GLY 32.A O no hydrogen 2.859 N/A THR 36.A OG1 GLY 32.A O no hydrogen 2.984 N/A PHE 37.A N GLU 33.A O no hydrogen 2.951 N/A ILE 40.A N PHE 37.A O no hydrogen 2.847 N/A LEU 41.A N PHE 37.A O no hydrogen 3.033 N/A LYS 42.A N LEU 38.A O no hydrogen 2.900 N/A LEU 44.A N ILE 40.A O no hydrogen 2.926 N/A LYS 45.A N LEU 41.A O no hydrogen 2.746 N/A LYS 45.A NZ ASP 71.A OD1 no hydrogen 3.336 N/A ARG 46.A N GLU 43.A O no hydrogen 2.987 N/A GLU 47.A N LEU 44.A O no hydrogen 2.895 N/A ARG 49.A NH1 LYS 21.A O no hydrogen 2.831 N/A ARG 49.A NH2 LYS 21.A O no hydrogen 3.407 N/A ILE 50.A N ASP 71.A OD2 no hydrogen 2.599 N/A LEU 51.A N LEU 24.A O no hydrogen 2.736 N/A LEU 52.A N CYS 72.A O no hydrogen 2.767 N/A THR 53.A N VAL 26.A O no hydrogen 2.891 N/A THR 53.A OG1 HIS 27.A ND1 no hydrogen 2.949 N/A TYR 54.A OH GLU 6.A OE2 no hydrogen 2.511 N/A PHE 55.A N ALA 29.A O no hydrogen 2.798 N/A SER 56.A N ALA 29.A O no hydrogen 2.895 N/A ARG 58.A N SER 56.A OG no hydrogen 2.924 N/A ALA 59.A N SER 56.A O no hydrogen 2.909 N/A ARG 60.A N PRO 57.A O no hydrogen 3.253 N/A ARG 60.A NH1 GLU 61.A OE2 no hydrogen 2.951 N/A TYR 62.A OH ASN 35.A OD1 no hydrogen 2.780 N/A LEU 63.A N ALA 59.A O no hydrogen 2.798 N/A LYS 64.A N ARG 60.A O no hydrogen 3.013 N/A THR 65.A N TYR 62.A O no hydrogen 2.851 N/A THR 65.A OG1 TYR 62.A O no hydrogen 2.497 N/A LYS 66.A N LEU 63.A O no hydrogen 2.833 N/A PHE 69.A N LYS 66.A O no hydrogen 2.824 N/A TYR 70.A OH LEU 63.A O no hydrogen 2.588 N/A ASP 71.A N ILE 50.A O no hydrogen 2.888 N/A CYS 72.A N ILE 50.A O no hydrogen 2.956 N/A HIS 74.A N LEU 52.A O no hydrogen 3.132 N/A HIS 74.A ND1 PRO 75.A O no hydrogen 2.645 N/A LEU 76.A N TYR 54.A O no hydrogen 2.894 N/A LEU 78.A N ARG 10.A O no hydrogen 2.873 N/A ASN 80.A N LEU 78.A O no hydrogen 2.940 N/A SER 83.A OG PHE 11.A O no hydrogen 2.522 N/A SER 83.A OG ASN 80.A OD1 no hydrogen 2.901 N/A VAL 84.A N ASN 80.A O no hydrogen 3.205 N/A LYS 85.A N PRO 81.A O no hydrogen 2.957 N/A LYS 85.A NZ GLU 88.A OE1 no hydrogen 2.896 N/A LYS 85.A NZ PHE 110.A O no hydrogen 3.272 N/A ARG 86.A N PHE 82.A O no hydrogen 2.842 N/A ARG 86.A NE PRO 13.A O no hydrogen 2.806 N/A ARG 86.A NH2 PRO 13.A O no hydrogen 2.980 N/A ARG 86.A NH2 GLU 15.A OE2 no hydrogen 2.797 N/A PHE 87.A N SER 83.A O no hydrogen 2.906 N/A GLU 88.A N VAL 84.A O no hydrogen 2.960 N/A GLU 89.A N LYS 85.A O no hydrogen 2.697 N/A LEU 90.A N ARG 86.A O no hydrogen 2.995 N/A SER 91.A N PHE 87.A O no hydrogen 3.064 N/A SER 91.A OG PHE 87.A O no hydrogen 2.962 N/A LYS 92.A N GLU 88.A O no hydrogen 2.925 N/A LYS 94.A N ALA 23.A O no hydrogen 2.800 N/A LYS 94.A NZ HIS 48.A ND1 no hydrogen 2.758 N/A LEU 96.A N PRO 114.A O no hydrogen 2.919 N/A ILE 97.A N TRP 25.A O no hydrogen 2.790 N/A VAL 98.A N ILE 116.A O no hydrogen 2.672 N/A VAL 99.A N HIS 27.A O no hydrogen 3.187 N/A GLU 100.A N VAL 118.A O no hydrogen 2.720 N/A ARG 101.A N VAL 99.A O no hydrogen 3.122 N/A ARG 101.A NH1 TYR 121.A O no hydrogen 3.378 N/A ARG 101.A NH1 GLU 128.A OE1 no hydrogen 3.180 N/A ARG 101.A NH2 GLU 128.A OE1 no hydrogen 2.530 N/A TRP 104.A N GLU 102.A O no hydrogen 2.792 N/A TRP 104.A NE1 GLU 102.A OE1 no hydrogen 2.861 N/A SER 106.A N ASP 79.A OD2 no hydrogen 2.925 N/A SER 106.A OG ASP 79.A O no hydrogen 3.264 N/A LEU 107.A N ASP 79.A OD1 no hydrogen 2.874 N/A ILE 108.A N TRP 104.A O no hydrogen 2.943 N/A ILE 109.A N PRO 105.A O no hydrogen 2.774 N/A PHE 110.A N SER 106.A O no hydrogen 2.865 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.558 N/A LYS 112.A N GLU 88.A OE1 no hydrogen 3.066 N/A LYS 112.A N GLU 88.A OE2 no hydrogen 2.894 N/A VAL 113.A N GLU 88.A OE2 no hydrogen 2.617 N/A LYS 115.A N ASP 136.A OD2 no hydrogen 2.836 N/A LYS 115.A NZ THR 111.A O no hydrogen 2.994 N/A LYS 115.A NZ VAL 113.A O no hydrogen 2.923 N/A ILE 116.A N LEU 96.A O no hydrogen 2.777 N/A LEU 117.A N LEU 137.A O no hydrogen 3.012 N/A VAL 118.A N VAL 98.A O no hydrogen 3.001 N/A ASN 119.A ND2 GLU 100.A OE2 no hydrogen 2.620 N/A ASN 119.A ND2 ASN 162.A OD1 no hydrogen 3.288 N/A ALA 120.A N ILE 139.A O no hydrogen 3.191 N/A ALA 122.A N ASP 145.A OD1 no hydrogen 2.963 N/A LYS 123.A N GLU 128.A OE1 no hydrogen 2.703 N/A GLY 124.A N GLU 128.A OE2 no hydrogen 2.733 N/A LYS 129.A N SER 125.A O no hydrogen 3.293 N/A ILE 130.A N LEU 126.A O no hydrogen 3.140 N/A LEU 131.A N ILE 127.A O no hydrogen 2.976 N/A SER 132.A N GLU 128.A O no hydrogen 2.914 N/A SER 132.A OG GLU 128.A O no hydrogen 2.690 N/A LYS 133.A NZ LYS 129.A O no hydrogen 2.987 N/A LYS 133.A NZ PHE 152.A O no hydrogen 3.420 N/A LYS 134.A N LEU 131.A O no hydrogen 2.948 N/A PHE 135.A N SER 132.A O no hydrogen 3.138 N/A ASP 136.A N LYS 115.A O no hydrogen 2.863 N/A ILE 138.A N ARG 156.A O no hydrogen 2.839 N/A ILE 139.A N LEU 117.A O no hydrogen 2.777 N/A MET 140.A N PHE 158.A O no hydrogen 2.659 N/A ARG 141.A N ALA 120.A O no hydrogen 2.982 N/A ARG 141.A NE ASN 119.A O no hydrogen 2.971 N/A THR 142.A OG1 ASP 145.A OD2 no hydrogen 2.834 N/A ASP 145.A N THR 142.A OG1 no hydrogen 3.099 N/A VAL 146.A N THR 142.A O no hydrogen 3.264 N/A GLU 147.A N GLN 143.A O no hydrogen 3.182 N/A LYS 148.A N GLU 144.A O no hydrogen 3.348 N/A PHE 149.A N ASP 145.A O no hydrogen 3.032 N/A LYS 150.A N VAL 146.A O no hydrogen 2.754 N/A THR 151.A N GLU 147.A O no hydrogen 3.154 N/A THR 151.A OG1 LYS 148.A O no hydrogen 2.636 N/A PHE 152.A N PHE 149.A O no hydrogen 2.861 N/A GLY 153.A N LYS 150.A O no hydrogen 2.909 N/A ALA 154.A N PHE 149.A O no hydrogen 3.233 N/A PHE 158.A N ILE 138.A O no hydrogen 3.018 N/A CYS 160.A N MET 140.A O no hydrogen 3.030 N/A LEU 163.A N ASN 119.A OD1 no hydrogen 2.777 N/A LYS 164.A N ASN 162.A OD1 no hydrogen 2.892 N/A PHE 165.A N ASN 162.A O no hydrogen 2.842 N/A ILE 166.A N LEU 163.A O no hydrogen 3.157 N/A CYS 167.A N SER 337.A OG no hydrogen 2.738 N/A LYS 169.A NZ GLU 334.A OE1 no hydrogen 3.498 N/A LYS 169.A NZ GLU 334.A OE2 no hydrogen 2.602 N/A ILE 173.A N GLU 254.A O no hydrogen 2.743 N/A ILE 180.A N LYS 208.A O no hydrogen 2.917 N/A VAL 181.A N ILE 261.A O no hydrogen 2.950 N/A ALA 182.A N ILE 210.A O no hydrogen 2.944 N/A GLY 183.A N ILE 263.A O no hydrogen 2.788 N/A ILE 185.A N VAL 212.A O no hydrogen 3.250 N/A HIS 186.A N GLU 189.A OE2 no hydrogen 2.799 N/A HIS 186.A NE2 HIS 274.A NE2 no hydrogen 2.786 N/A GLU 189.A N HIS 186.A O no hydrogen 2.873 N/A VAL 190.A N THR 187.A O no hydrogen 3.344 N/A ILE 193.A N GLU 189.A O no hydrogen 3.407 N/A LEU 194.A N VAL 190.A O no hydrogen 2.886 N/A LYS 195.A N GLU 191.A O no hydrogen 2.750 N/A ALA 196.A N ILE 192.A O no hydrogen 3.017 N/A PHE 197.A N ILE 193.A O no hydrogen 2.928 N/A LYS 198.A N LEU 194.A O no hydrogen 2.932 N/A LYS 198.A NZ PHE 229.A O no hydrogen 2.943 N/A GLU 199.A N LYS 195.A O no hydrogen 3.258 N/A ILE 200.A N ALA 196.A O no hydrogen 3.091 N/A LYS 201.A N PHE 197.A O no hydrogen 2.963 N/A LYS 201.A NZ SER 205.A O no hydrogen 2.786 N/A LYS 201.A NZ ASP 242.A OD2 no hydrogen 2.523 N/A LYS 202.A N GLU 199.A O no hydrogen 3.388 N/A LYS 202.A NZ GLU 199.A OE2 no hydrogen 2.888 N/A THR 203.A N ILE 200.A O no hydrogen 2.985 N/A TYR 204.A N ILE 200.A O no hydrogen 2.872 N/A LEU 207.A N TYR 204.A O no hydrogen 3.330 N/A LYS 208.A N GLU 178.A O no hydrogen 2.916 N/A LYS 208.A NZ LEU 239.A O no hydrogen 2.756 N/A LYS 208.A NZ GLY 241.A O no hydrogen 2.825 N/A LEU 209.A N ASP 242.A O no hydrogen 2.887 N/A ILE 210.A N ILE 180.A O no hydrogen 2.964 N/A LEU 211.A N ILE 244.A O no hydrogen 2.774 N/A VAL 212.A N ALA 182.A O no hydrogen 2.821 N/A ARG 214.A N ILE 185.A O no hydrogen 2.674 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.655 N/A ASN 218.A N HIS 215.A O no hydrogen 2.989 N/A ALA 219.A N ILE 216.A O no hydrogen 2.905 N/A PHE 222.A N ASN 218.A O no hydrogen 2.824 N/A GLU 223.A N ALA 219.A O no hydrogen 2.804 N/A LYS 224.A N LYS 220.A O no hydrogen 3.016 N/A LYS 225.A N ILE 221.A O no hydrogen 3.001 N/A ALA 226.A N PHE 222.A O no hydrogen 2.941 N/A ARG 227.A N GLU 223.A O no hydrogen 3.021 N/A ARG 227.A NE GLU 223.A OE1 no hydrogen 3.370 N/A ARG 227.A NE GLU 223.A OE2 no hydrogen 3.138 N/A ASP 228.A N LYS 224.A O no hydrogen 2.991 N/A PHE 229.A N LYS 225.A O no hydrogen 3.209 N/A PHE 229.A N ALA 226.A O no hydrogen 2.994 N/A GLY 230.A N ARG 227.A O no hydrogen 2.720 N/A PHE 231.A N ALA 226.A O no hydrogen 3.179 N/A LYS 232.A N ASP 242.A OD1 no hydrogen 3.274 N/A THR 233.A OG1 GLU 223.A OE2 no hydrogen 2.401 N/A SER 234.A N VAL 243.A O no hydrogen 3.176 N/A SER 234.A OG ASN 238.A O no hydrogen 2.899 N/A PHE 236.A N LEU 245.A O no hydrogen 2.769 N/A ASN 238.A N PHE 235.A O no hydrogen 3.131 N/A GLY 241.A N SER 234.A OG no hydrogen 2.809 N/A VAL 243.A N LYS 232.A O no hydrogen 3.123 N/A ILE 244.A N LEU 209.A O no hydrogen 2.715 N/A LEU 245.A N SER 234.A O no hydrogen 2.841 N/A VAL 246.A N LEU 211.A O no hydrogen 2.928 N/A ARG 248.A NH2 GLU 237.A OE2 no hydrogen 2.761 N/A LEU 252.A N GLY 250.A O no hydrogen 2.618 N/A LYS 253.A NZ GLN 168.A O no hydrogen 2.800 N/A GLU 254.A N ILE 251.A O no hydrogen 3.014 N/A LEU 255.A N LEU 252.A O no hydrogen 2.913 N/A VAL 258.A N LEU 255.A O no hydrogen 2.841 N/A GLY 259.A N TYR 256.A O no hydrogen 2.865 N/A LYS 260.A N PHE 179.A O no hydrogen 2.858 N/A ALA 262.A N PRO 285.A O no hydrogen 3.048 N/A ILE 263.A N VAL 181.A O no hydrogen 2.664 N/A VAL 264.A N ILE 287.A O no hydrogen 3.195 N/A GLY 265.A N GLY 183.A O no hydrogen 2.963 N/A GLY 266.A N GLU 189.A OE2 no hydrogen 2.951 N/A THR 267.A N GLU 189.A OE1 no hydrogen 2.876 N/A THR 267.A OG1 VAL 264.A O no hydrogen 2.906 N/A PHE 268.A N GLU 189.A OE1 no hydrogen 2.815 N/A ILE 271.A N VAL 269.A O no hydrogen 2.558 N/A GLY 272.A N GLY 266.A O no hydrogen 3.080 N/A HIS 274.A N GLY 265.A O no hydrogen 3.146 N/A HIS 274.A NE2 HIS 186.A NE2 no hydrogen 2.786 N/A THR 280.A OG1 LEU 277.A O no hydrogen 2.792 N/A CYS 281.A N LEU 277.A O no hydrogen 3.358 N/A CYS 281.A N GLU 278.A O no hydrogen 3.202 N/A CYS 281.A SG LEU 277.A O no hydrogen 3.618 N/A TRP 282.A N PRO 279.A O no hydrogen 2.821 N/A GLY 283.A N THR 280.A O no hydrogen 2.878 N/A VAL 286.A N ALA 307.A O no hydrogen 2.906 N/A ILE 287.A N ALA 262.A O no hydrogen 2.913 N/A TYR 288.A N PHE 309.A O no hydrogen 3.017 N/A TYR 288.A OH GLU 303.A OE2 no hydrogen 3.220 N/A GLY 289.A N THR 267.A OG1 no hydrogen 3.026 N/A TYR 291.A N THR 267.A O no hydrogen 2.904 N/A LYS 294.A N GLY 272.A O no hydrogen 2.784 N/A VAL 295.A N THR 292.A O no hydrogen 2.947 N/A LYS 299.A N VAL 295.A O no hydrogen 2.725 N/A GLU 300.A N ASN 296.A O no hydrogen 3.007 N/A PHE 301.A N ASP 297.A O no hydrogen 2.954 N/A LEU 302.A N LEU 298.A O no hydrogen 2.905 N/A GLU 303.A N LYS 299.A O no hydrogen 3.074 N/A LYS 304.A N GLU 300.A O no hydrogen 3.094 N/A GLU 305.A N PHE 301.A O no hydrogen 3.038 N/A GLY 306.A N GLU 303.A O no hydrogen 2.883 N/A ALA 307.A N LEU 302.A O no hydrogen 2.952 N/A PHE 309.A N VAL 286.A O no hydrogen 2.974 N/A VAL 311.A N TYR 288.A O no hydrogen 2.801 N/A LYS 312.A N GLU 316.A OE1 no hydrogen 2.909 N/A GLU 316.A N ASN 313.A OD1 no hydrogen 2.872 N/A LEU 317.A N ASN 313.A O no hydrogen 3.092 N/A VAL 318.A N GLU 314.A O no hydrogen 2.973 N/A THR 319.A N THR 315.A O no hydrogen 2.684 N/A THR 319.A OG1 THR 315.A O no hydrogen 2.889 N/A LYS 320.A N GLU 316.A O no hydrogen 2.693 N/A LYS 320.A NZ GLU 323.A OE1 no hydrogen 2.683 N/A LEU 321.A N LEU 317.A O no hydrogen 2.879 N/A THR 322.A N VAL 318.A O no hydrogen 2.929 N/A THR 322.A OG1 VAL 318.A O no hydrogen 3.096 N/A THR 322.A OG1 THR 319.A O no hydrogen 2.684 N/A GLU 323.A N THR 319.A O no hydrogen 3.022 N/A LEU 324.A N LYS 320.A O no hydrogen 2.969 N/A LEU 325.A N LEU 321.A O no hydrogen 2.881 N/A SER 326.A N THR 322.A O no hydrogen 2.843 N/A SER 326.A N GLU 323.A O no hydrogen 3.235 N/A SER 326.A OG THR 322.A O no hydrogen 3.127 N/A SER 326.A OG GLU 323.A O no hydrogen 3.235 N/A VAL 327.A N GLU 323.A O no hydrogen 2.981 N/A LYS 329.A NZ GLY 306.A O no hydrogen 2.853 N/A LYS 329.A NZ GLU 330.A O no hydrogen 3.069 N/A LYS 336.A N LYS 332.A O no hydrogen 3.124 N/A LYS 336.A NZ GLU 339.A OE1 no hydrogen 3.488 N/A SER 337.A N VAL 333.A O no hydrogen 2.859 N/A ARG 338.A N GLU 334.A O no hydrogen 3.011 N/A GLU 339.A N GLU 335.A O no hydrogen 3.282 N/A ILE 340.A N LYS 336.A O no hydrogen 2.909 N/A LYS 341.A N SER 337.A O no hydrogen 2.939 N/A GLY 342.A N ARG 338.A O no hydrogen 2.852 N/A CYS 343.A N GLU 339.A O no hydrogen 2.940 N/A TYR 344.A N ILE 340.A O no hydrogen 3.088 N/A TYR 344.A OH GLY 161.A O no hydrogen 2.819 N/A LEU 345.A N LYS 341.A O no hydrogen 2.881 N/A GLU 346.A N GLY 342.A O no hydrogen 2.751 N/A LYS 347.A N CYS 343.A O no hydrogen 3.033 N/A LEU 348.A N TYR 344.A O no hydrogen 2.996 N/A ARG 349.A N LEU 345.A O no hydrogen 3.064 N/A ARG 349.A NE GLU 47.A OE1 no hydrogen 2.847 N/A ARG 349.A NE GLU 47.A OE2 no hydrogen 3.178 N/A ARG 349.A NH2 GLU 47.A OE1 no hydrogen 2.905 N/A GLU 350.A N GLU 346.A O no hydrogen 3.153 N/A PHE 351.A N LYS 347.A O no hydrogen 2.991 N/A LEU 352.A N LEU 348.A O no hydrogen 2.885 N/A ARG 353.A N ARG 349.A O no hydrogen 2.985 N/A