Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ib1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 1.A OE1 no hydrogen 2.750 N/A PHE 6.A N SER 2.A O no hydrogen 3.016 N/A LEU 7.A N VAL 3.A O no hydrogen 2.718 N/A ALA 8.A N LYS 4.A O no hydrogen 2.873 N/A LYS 9.A N GLU 5.A O no hydrogen 3.012 N/A LYS 9.A NZ ASP 13.A OD1 no hydrogen 2.784 N/A ALA 10.A N PHE 6.A O no hydrogen 2.960 N/A LYS 11.A N LEU 7.A O no hydrogen 2.935 N/A LYS 11.A NZ SER 146.A O no hydrogen 2.927 N/A LYS 11.A NZ ASP 148.A OD2 no hydrogen 3.151 N/A GLU 12.A N ALA 8.A O no hydrogen 3.262 N/A ASP 13.A N LYS 9.A O no hydrogen 3.177 N/A PHE 14.A N ALA 10.A O no hydrogen 3.034 N/A LEU 15.A N LYS 11.A O no hydrogen 2.808 N/A LYS 16.A N GLU 12.A O no hydrogen 3.270 N/A LYS 17.A N ASP 13.A O no hydrogen 3.493 N/A TRP 18.A N PHE 14.A O no hydrogen 2.871 N/A GLU 19.A N LEU 15.A O no hydrogen 2.889 N/A THR 20.A N LYS 16.A O no hydrogen 3.104 N/A SER 22.A N GLN 84.A OE1 no hydrogen 2.970 N/A GLN 23.A NE2 THR 333.A O no hydrogen 3.305 N/A GLN 23.A NE2 PHE 335.A O no hydrogen 3.121 N/A THR 25.A N SER 97.A O no hydrogen 2.939 N/A THR 25.A OG1 SER 97.A O no hydrogen 3.373 N/A GLN 27.A N GLN 30.A OE1 no hydrogen 3.056 N/A GLN 27.A NE2 ASP 29.A OD1 no hydrogen 2.914 N/A GLN 27.A NE2 ASP 29.A OD2 no hydrogen 3.560 N/A GLN 30.A N GLN 27.A O no hydrogen 3.065 N/A PHE 31.A N LEU 28.A O no hydrogen 3.187 N/A ASP 32.A N LYS 49.A O no hydrogen 2.892 N/A ILE 34.A N LEU 47.A O no hydrogen 2.825 N/A LYS 35.A N LEU 47.A O no hydrogen 3.406 N/A LYS 35.A NZ ASP 315.A OD1 no hydrogen 2.600 N/A THR 36.A N GLU 318.A OE2 no hydrogen 2.837 N/A THR 36.A OG1 GLU 318.A OE1 no hydrogen 2.696 N/A LEU 37.A N VAL 45.A O no hydrogen 2.718 N/A GLY 38.A N VAL 45.A O no hydrogen 3.364 N/A GLY 40.A N GLY 43.A O no hydrogen 3.129 N/A ARG 44.A N ILE 61.A O no hydrogen 3.246 N/A ARG 44.A NH1 THR 36.A OG1 no hydrogen 2.788 N/A ARG 44.A NH1 GLU 317.A O no hydrogen 2.966 N/A VAL 45.A N GLY 38.A O no hydrogen 2.887 N/A MET 46.A N MET 59.A O no hydrogen 2.947 N/A LEU 47.A N LYS 35.A O no hydrogen 2.654 N/A VAL 48.A N TYR 57.A O no hydrogen 2.947 N/A LYS 49.A N ASP 32.A O no hydrogen 2.923 N/A HIS 50.A N ASN 55.A O no hydrogen 2.924 N/A HIS 50.A ND1 SER 53.A OG no hydrogen 2.897 N/A LYS 51.A N GLN 30.A O no hydrogen 2.884 N/A LYS 51.A NZ ASP 29.A O no hydrogen 2.835 N/A SER 53.A N HIS 50.A ND1 no hydrogen 3.324 N/A SER 53.A OG HIS 50.A ND1 no hydrogen 2.897 N/A GLY 54.A N HIS 50.A O no hydrogen 2.835 N/A ASN 55.A N SER 53.A OG no hydrogen 3.094 N/A ASN 55.A ND2 TYR 57.A OH no hydrogen 3.321 N/A TYR 57.A N VAL 48.A O no hydrogen 2.928 N/A ALA 58.A N MET 108.A O no hydrogen 2.959 N/A MET 59.A N MET 46.A O no hydrogen 2.795 N/A LYS 60.A N MET 106.A O no hydrogen 2.815 N/A LYS 60.A NZ GLU 79.A OE2 no hydrogen 2.691 N/A ILE 61.A N ARG 44.A O no hydrogen 2.832 N/A LEU 62.A N LEU 104.A O no hydrogen 2.952 N/A LYS 64.A N SER 102.A O no hydrogen 2.980 N/A LYS 64.A NZ ASP 100.A O no hydrogen 2.835 N/A LYS 64.A NZ ASN 101.A O no hydrogen 3.186 N/A LYS 64.A NZ LYS 327.A O no hydrogen 2.768 N/A GLN 65.A N ASP 63.A OD1 no hydrogen 2.958 N/A LYS 66.A NZ ASP 63.A OD2 no hydrogen 2.916 N/A VAL 67.A N ASP 63.A O no hydrogen 3.063 N/A VAL 68.A N LYS 64.A O no hydrogen 2.975 N/A LYS 69.A N GLN 65.A O no hydrogen 2.947 N/A LEU 70.A N LYS 66.A O no hydrogen 2.994 N/A LYS 71.A N VAL 68.A O no hydrogen 2.924 N/A GLN 72.A N VAL 67.A O no hydrogen 2.992 N/A GLN 72.A NE2 LEU 70.A O no hydrogen 3.075 N/A HIS 75.A ND1 GLN 72.A OE1 no hydrogen 2.818 N/A THR 76.A N GLN 72.A O no hydrogen 2.982 N/A THR 76.A OG1 GLN 72.A O no hydrogen 2.710 N/A LEU 77.A N ILE 73.A O no hydrogen 2.995 N/A ASN 78.A N GLU 74.A O no hydrogen 2.936 N/A GLU 79.A N HIS 75.A O no hydrogen 2.909 N/A LYS 80.A N THR 76.A O no hydrogen 3.199 N/A LYS 80.A NZ SER 22.A O no hydrogen 2.822 N/A LYS 80.A NZ PHE 335.A OXT no hydrogen 2.707 N/A ARG 81.A N LEU 77.A O no hydrogen 2.959 N/A ARG 81.A NE TRP 18.A O no hydrogen 3.024 N/A ARG 81.A NH2 TRP 18.A O no hydrogen 2.955 N/A ILE 82.A N ASN 78.A O no hydrogen 2.903 N/A LEU 83.A N GLU 79.A O no hydrogen 2.996 N/A GLN 84.A N LYS 80.A O no hydrogen 3.082 N/A GLN 84.A NE2 LYS 17.A O no hydrogen 2.921 N/A GLN 84.A NE2 ARG 81.A O no hydrogen 2.950 N/A ALA 85.A N ILE 82.A O no hydrogen 2.860 N/A VAL 86.A N ILE 82.A O no hydrogen 3.220 N/A ASN 87.A N TYR 143.A OH no hydrogen 2.996 N/A LEU 91.A N PHE 88.A O no hydrogen 3.089 N/A VAL 92.A N VAL 169.A O no hydrogen 2.977 N/A GLU 95.A N VAL 107.A O no hydrogen 2.688 N/A PHE 96.A N VAL 107.A O no hydrogen 3.151 N/A SER 97.A N THR 25.A OG1 no hydrogen 2.956 N/A PHE 98.A N TYR 105.A O no hydrogen 3.140 N/A LYS 99.A NZ PHE 332.A O no hydrogen 2.833 N/A LYS 99.A NZ PHE 335.A O no hydrogen 2.927 N/A ASP 100.A N ASN 103.A O no hydrogen 2.911 N/A SER 102.A N ASP 100.A OD1 no hydrogen 2.989 N/A ASN 103.A N ASP 100.A OD1 no hydrogen 2.851 N/A ASN 103.A ND2 TYR 105.A OH no hydrogen 3.061 N/A ASN 103.A ND2 ARG 322.A O no hydrogen 3.217 N/A LEU 104.A N LEU 62.A O no hydrogen 2.804 N/A TYR 105.A N PHE 98.A O no hydrogen 2.863 N/A TYR 105.A OH ASP 100.A OD2 no hydrogen 2.703 N/A MET 106.A N LYS 60.A O no hydrogen 2.959 N/A VAL 107.A N PHE 96.A O no hydrogen 2.889 N/A MET 108.A N ALA 58.A O no hydrogen 2.897 N/A GLU 109.A N LYS 93.A O no hydrogen 3.006 N/A TYR 110.A OH ASP 309.A O no hydrogen 2.821 N/A MET 116.A N LEU 159.A O no hydrogen 2.797 N/A PHE 117.A N PRO 156.A O no hydrogen 3.296 N/A SER 118.A N GLU 115.A O no hydrogen 3.304 N/A SER 118.A OG GLU 115.A O no hydrogen 3.152 N/A HIS 119.A NE2 GLY 113.A O no hydrogen 2.754 N/A LEU 120.A N MET 116.A O no hydrogen 2.850 N/A ARG 121.A N PHE 117.A O no hydrogen 2.965 N/A ARG 121.A NH1 GLU 216.A OE2 no hydrogen 2.820 N/A ARG 121.A NH2 GLU 216.A OE2 no hydrogen 2.898 N/A ARG 122.A N SER 118.A O no hydrogen 3.073 N/A ARG 122.A NH1 HIS 119.A ND1 no hydrogen 3.212 N/A ARG 122.A NH2 HIS 119.A ND1 no hydrogen 2.814 N/A ILE 123.A N HIS 119.A O no hydrogen 2.931 N/A GLY 124.A N LEU 120.A O no hydrogen 2.863 N/A PHE 126.A N MET 217.A O no hydrogen 2.886 N/A HIS 129.A NE2 TYR 133.A OH no hydrogen 2.971 N/A ARG 131.A N GLU 127.A O no hydrogen 2.800 N/A ARG 131.A NH2 TRP 282.A O no hydrogen 2.963 N/A PHE 132.A N PRO 128.A O no hydrogen 3.039 N/A TYR 133.A N HIS 129.A O no hydrogen 3.420 N/A TYR 133.A OH HIS 129.A NE2 no hydrogen 2.971 N/A ALA 134.A N ALA 130.A O no hydrogen 2.819 N/A ALA 135.A N ARG 131.A O no hydrogen 3.035 N/A GLN 136.A N TYR 133.A O no hydrogen 3.114 N/A GLN 136.A NE2 PHE 132.A O no hydrogen 3.036 N/A ILE 137.A N TYR 133.A O no hydrogen 3.301 N/A VAL 138.A N ALA 134.A O no hydrogen 2.858 N/A LEU 139.A N ALA 135.A O no hydrogen 3.027 N/A THR 140.A N GLN 136.A O no hydrogen 2.988 N/A THR 140.A OG1 GLN 136.A O no hydrogen 2.738 N/A PHE 141.A N ILE 137.A O no hydrogen 2.902 N/A GLU 142.A N VAL 138.A O no hydrogen 3.037 N/A TYR 143.A N LEU 139.A O no hydrogen 3.074 N/A LEU 144.A N THR 140.A O no hydrogen 2.916 N/A HIS 145.A N PHE 141.A O no hydrogen 2.792 N/A HIS 145.A NE2 ASP 206.A OD2 no hydrogen 2.787 N/A SER 146.A N GLU 142.A O no hydrogen 3.175 N/A SER 146.A OG TYR 143.A O no hydrogen 2.625 N/A LEU 147.A N LEU 144.A O no hydrogen 3.148 N/A ASP 148.A N HIS 145.A O no hydrogen 2.868 N/A LEU 149.A N LEU 144.A O no hydrogen 3.039 N/A ILE 150.A N LYS 176.A O no hydrogen 2.980 N/A TYR 151.A N ASP 206.A OD2 no hydrogen 2.978 N/A TYR 151.A OH THR 170.A O no hydrogen 2.653 N/A TYR 151.A OH ASP 171.A O no hydrogen 3.228 N/A ARG 152.A N ASP 206.A OD1 no hydrogen 2.960 N/A ARG 152.A NE PHE 174.A O no hydrogen 2.761 N/A ARG 152.A NH1 TYR 201.A OH no hydrogen 2.963 N/A ARG 152.A NH2 PHE 174.A O no hydrogen 2.921 N/A LYS 155.A NZ THR 187.A OG1 no hydrogen 2.826 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.637 N/A ASN 158.A N LYS 155.A O no hydrogen 2.938 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.980 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 2.986 N/A LEU 159.A N PRO 156.A O no hydrogen 3.358 N/A LEU 160.A N GLN 168.A O no hydrogen 2.988 N/A ILE 161.A N GLY 114.A O no hydrogen 3.004 N/A ASP 162.A N TYR 166.A O no hydrogen 2.841 N/A GLN 164.A N ASP 162.A OD1 no hydrogen 2.831 N/A GLY 165.A N ASP 162.A O no hydrogen 2.937 N/A TYR 166.A N ASP 162.A OD1 no hydrogen 2.933 N/A TYR 166.A OH VAL 296.A O no hydrogen 2.727 N/A ILE 167.A N GLN 136.A OE1 no hydrogen 2.881 N/A GLN 168.A N LEU 160.A O no hydrogen 2.779 N/A GLN 168.A NE2 PRO 89.A O no hydrogen 2.894 N/A GLN 168.A NE2 ILE 167.A O no hydrogen 3.258 N/A VAL 169.A N PHE 90.A O no hydrogen 2.760 N/A THR 170.A N ASN 158.A O no hydrogen 3.075 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 2.940 N/A ALA 175.A N PHE 172.A O no hydrogen 3.051 N/A LYS 176.A N ILE 150.A O no hydrogen 3.053 N/A ARG 177.A NE LEU 147.A O no hydrogen 3.054 N/A ARG 177.A NH2 ASP 148.A OD2 no hydrogen 3.144 N/A VAL 178.A N ASP 148.A O no hydrogen 2.920 N/A THR 182.A N TYR 201.A O no hydrogen 2.923 N/A THR 187.A OG1 ASP 153.A OD1 no hydrogen 2.900 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.832 N/A TYR 190.A N THR 187.A O no hydrogen 3.007 N/A TYR 190.A OH GLU 216.A OE1 no hydrogen 2.715 N/A LEU 191.A N PRO 188.A O no hydrogen 3.219 N/A GLU 194.A N GLU 194.A OE2 no hydrogen 2.921 N/A ILE 195.A N ALA 192.A O no hydrogen 3.022 N/A ILE 196.A N ALA 192.A O no hydrogen 3.494 N/A LEU 197.A N PRO 193.A O no hydrogen 2.885 N/A SER 198.A N ILE 195.A O no hydrogen 3.135 N/A SER 198.A OG ILE 196.A O no hydrogen 3.495 N/A TYR 201.A N THR 182.A O no hydrogen 2.837 N/A LYS 203.A NZ.A VAL 178.A O no hydrogen 2.711 N/A ALA 204.A N ASN 202.A OD1 no hydrogen 2.814 N/A VAL 205.A N ASN 202.A O no hydrogen 3.006 N/A ASP 206.A N LYS 203.A O no hydrogen 2.973 N/A TRP 207.A N ALA 204.A O no hydrogen 3.089 N/A TRP 208.A N ALA 204.A O no hydrogen 3.204 N/A ALA 209.A N VAL 205.A O no hydrogen 3.037 N/A LEU 210.A N ASP 206.A O no hydrogen 2.975 N/A GLY 211.A N TRP 207.A O no hydrogen 3.093 N/A VAL 212.A N TRP 208.A O no hydrogen 3.019 N/A LEU 213.A N ALA 209.A O no hydrogen 2.863 N/A ILE 214.A N LEU 210.A O no hydrogen 2.852 N/A TYR 215.A N GLY 211.A O no hydrogen 3.067 N/A TYR 215.A OH ARG 242.A O no hydrogen 2.651 N/A GLU 216.A N VAL 212.A O no hydrogen 2.963 N/A MET 217.A N LEU 213.A O no hydrogen 2.845 N/A ALA 218.A N ILE 214.A O no hydrogen 2.983 N/A ALA 219.A N TYR 215.A O no hydrogen 2.784 N/A GLY 220.A N GLU 216.A O no hydrogen 2.816 N/A ILE 232.A N GLN 228.A O no hydrogen 3.227 N/A TYR 233.A N PRO 229.A O no hydrogen 2.937 N/A GLU 234.A N ILE 230.A O no hydrogen 3.140 N/A LYS 235.A N GLN 231.A O no hydrogen 3.325 N/A LYS 235.A NZ PHE 225.A O no hydrogen 2.897 N/A ILE 236.A N ILE 232.A O no hydrogen 3.034 N/A VAL 237.A N TYR 233.A O no hydrogen 2.986 N/A SER 238.A N GLU 234.A O no hydrogen 3.034 N/A SER 238.A OG GLU 234.A O no hydrogen 2.768 N/A GLY 239.A N LYS 235.A O no hydrogen 2.896 N/A PHE 247.A N PRO 244.A O no hydrogen 3.168 N/A SER 248.A N GLU 127.A OE2 no hydrogen 2.861 N/A SER 248.A OG GLU 127.A OE1 no hydrogen 2.671 N/A SER 248.A OG GLU 127.A OE2 no hydrogen 3.510 N/A LEU 251.A N SER 248.A OG no hydrogen 2.998 N/A LYS 252.A N SER 248.A O no hydrogen 3.110 N/A ASP 253.A N SER 249.A O no hydrogen 2.990 N/A LEU 254.A N ASP 250.A O no hydrogen 3.088 N/A LEU 255.A N LEU 251.A O no hydrogen 2.959 N/A ARG 256.A N LYS 252.A O no hydrogen 3.012 N/A ASN 257.A N ASP 253.A O no hydrogen 3.311 N/A ASN 257.A N LEU 254.A O no hydrogen 3.073 N/A LEU 258.A N LEU 254.A O no hydrogen 3.061 N/A LEU 258.A N LEU 255.A O no hydrogen 3.225 N/A LEU 259.A N LEU 255.A O no hydrogen 2.755 N/A ASP 262.A N GLN 260.A OE1 no hydrogen 3.086 N/A THR 264.A N ASP 262.A OD1 no hydrogen 2.951 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.747 N/A THR 264.A OG1 ASP 262.A OD2 no hydrogen 3.238 N/A LYS 265.A N ASP 262.A O no hydrogen 2.894 N/A ARG 266.A NE GLN 260.A O no hydrogen 2.801 N/A ARG 266.A NH1 GLU 194.A OE1 no hydrogen 2.778 N/A ARG 266.A NH1 ALA 204.A O no hydrogen 3.078 N/A ARG 266.A NH2 GLU 194.A OE1 no hydrogen 3.361 N/A ARG 266.A NH2 GLU 194.A OE2 no hydrogen 2.826 N/A ARG 266.A NH2 GLN 260.A O no hydrogen 3.126 N/A PHE 267.A N ASN 257.A O no hydrogen 2.908 N/A ASN 269.A N ARG 266.A O no hydrogen 3.036 N/A ASN 269.A ND2 LEU 263.A O no hydrogen 3.136 N/A GLY 273.A N LEU 270.A O no hydrogen 2.978 N/A ASN 275.A N ASN 272.A O no hydrogen 3.156 N/A ASN 275.A ND2 ASN 272.A O no hydrogen 3.533 N/A ASP 276.A N GLY 273.A O no hydrogen 3.154 N/A ILE 277.A N VAL 274.A O no hydrogen 2.876 N/A LYS 278.A N VAL 274.A O no hydrogen 2.951 N/A LYS 278.A NZ GLU 142.A OE1 no hydrogen 2.802 N/A LYS 278.A NZ GLU 142.A OE2 no hydrogen 3.362 N/A ASN 279.A N ASN 275.A O no hydrogen 2.939 N/A HIS 280.A N ILE 277.A O no hydrogen 3.071 N/A HIS 280.A NE2 ASP 253.A OD1 no hydrogen 2.811 N/A TRP 282.A N HIS 280.A ND1 no hydrogen 2.864 N/A TRP 282.A NE1 GLU 127.A OE1 no hydrogen 2.993 N/A PHE 283.A N HIS 280.A O no hydrogen 2.871 N/A ALA 284.A N LYS 281.A O no hydrogen 3.090 N/A THR 286.A N PHE 283.A O no hydrogen 2.863 N/A ALA 290.A N ASP 287.A OD1 no hydrogen 3.121 N/A ILE 291.A N ASP 287.A O no hydrogen 3.044 N/A TYR 292.A N TRP 288.A O no hydrogen 3.167 N/A GLN 293.A N ILE 289.A O no hydrogen 3.009 N/A ARG 294.A N ILE 291.A O no hydrogen 2.961 N/A ARG 294.A NH1 ASP 162.A OD2 no hydrogen 3.276 N/A ARG 294.A NH2 ASP 162.A OD2 no hydrogen 2.683 N/A LYS 295.A N ALA 290.A O no hydrogen 2.901 N/A ASP 309.A N GLY 306.A O no hydrogen 3.165 N/A SER 311.A N ASP 309.A OD1 no hydrogen 2.862 N/A SER 311.A OG ASP 309.A OD1 no hydrogen 2.828 N/A SER 311.A OG ASP 309.A OD2 no hydrogen 2.988 N/A ASN 312.A ND2 ALA 112.A O no hydrogen 3.282 N/A ASN 312.A ND2 LYS 303.A O no hydrogen 2.987 N/A PHE 313.A N THR 310.A O no hydrogen 3.021 N/A LYS 327.A N ASN 101.A O no hydrogen 2.865 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.740 N/A THR 333.A N LYS 330.A O no hydrogen 3.154 N/A THR 333.A OG1 GLY 329.A O no hydrogen 3.242 N/A THR 333.A OG1 LYS 330.A O no hydrogen 2.709 N/A PHE 335.A N PHE 332.A O no hydrogen 2.909 N/A