Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nip_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 TYR 78.A O no hydrogen 2.898 N/A GLN 5.A NE2 ASP 79.A OD1 no hydrogen 3.350 N/A LEU 7.A N ARG 23.A O no hydrogen 2.915 N/A GLU 11.A N ASP 8.A O no hydrogen 2.873 N/A ILE 12.A N ASP 8.A O no hydrogen 2.793 N/A ALA 16.A N PRO 13.A O no hydrogen 2.935 N/A THR 20.A OG1 LEU 24.A O no hydrogen 2.633 N/A PHE 21.A N ASP 85.A OD2 no hydrogen 2.597 N/A MET 22.A N SER 63.A OG no hydrogen 2.931 N/A ARG 23.A N THR 20.A O no hydrogen 3.218 N/A ARG 23.A NH1 PRO 13.A O no hydrogen 2.724 N/A ARG 23.A NH1 ALA 16.A O no hydrogen 2.830 N/A ARG 23.A NH2 ILE 12.A O no hydrogen 2.836 N/A LEU 24.A N PHE 21.A O no hydrogen 3.186 N/A PHE 27.A N ASP 85.A O no hydrogen 2.886 N/A ALA 31.A N ASP 29.A OD1 no hydrogen 2.817 N/A ALA 32.A N ASP 29.A O no hydrogen 3.168 N/A LEU 33.A N PRO 30.A O no hydrogen 3.104 N/A GLN 34.A N ARG 82.A O no hydrogen 2.840 N/A VAL 35.A N ARG 82.A O no hydrogen 3.125 N/A GLY 36.A N LEU 116.A O no hydrogen 2.815 N/A LEU 37.A N GLY 84.A O no hydrogen 2.732 N/A ILE 38.A N LEU 118.A O no hydrogen 3.019 N/A GLY 39.A N GLY 87.A O no hydrogen 3.026 N/A VAL 40.A N VAL 120.A O no hydrogen 2.746 N/A THR 46.A N ASP 43.A O no hydrogen 3.022 N/A THR 46.A OG1 ASP 43.A O no hydrogen 3.428 N/A THR 46.A OG1 ASP 123.A OD2 no hydrogen 2.695 N/A ARG 49.A NE GLY 251.A O no hydrogen 2.986 N/A ARG 49.A NH2 THR 250.A O no hydrogen 2.927 N/A GLY 51.A N ASP 43.A OD2 no hydrogen 2.940 N/A ARG 53.A N ASP 43.A OD2 no hydrogen 3.161 N/A ARG 53.A NE ASP 43.A OD1 no hydrogen 2.981 N/A ARG 53.A NE ASP 43.A OD2 no hydrogen 3.338 N/A ARG 53.A NH2 ASP 43.A OD1 no hydrogen 2.991 N/A HIS 54.A N GLY 51.A O no hydrogen 3.020 N/A GLY 55.A N ALA 52.A O no hydrogen 2.920 N/A GLU 58.A N HIS 54.A O no hydrogen 3.360 N/A VAL 59.A N GLY 55.A O no hydrogen 2.875 N/A ARG 60.A N PRO 56.A O no hydrogen 2.844 N/A ARG 60.A NE ASP 85.A OD2 no hydrogen 2.912 N/A ARG 60.A NH1 ASP 88.A OD1 no hydrogen 3.062 N/A ARG 60.A NH2 ASP 85.A OD1 no hydrogen 2.900 N/A ARG 60.A NH2 ASP 88.A OD1 no hydrogen 3.273 N/A ASN 61.A N ARG 57.A O no hydrogen 2.961 N/A ASN 61.A ND2 GLU 58.A OE1 no hydrogen 2.804 N/A LEU 62.A N GLU 58.A O no hydrogen 2.925 N/A SER 63.A N VAL 59.A O no hydrogen 2.834 N/A SER 63.A OG ARG 60.A O no hydrogen 2.753 N/A SER 64.A N ASN 61.A O no hydrogen 3.252 N/A SER 64.A OG ARG 14.A O no hydrogen 3.415 N/A LEU 65.A N LEU 62.A O no hydrogen 3.051 N/A MET 66.A N SER 63.A O no hydrogen 2.978 N/A HIS 70.A N ILE 75.A O no hydrogen 3.180 N/A HIS 70.A NE2 GLU 303.A OE1 no hydrogen 2.985 N/A VAL 72.A N HIS 70.A ND1 no hydrogen 3.082 N/A SER 73.A N HIS 70.A ND1 no hydrogen 3.333 N/A ARG 74.A N HIS 70.A O no hydrogen 3.097 N/A ASP 79.A N ALA 76.A O no hydrogen 3.103 N/A LEU 80.A N ALA 76.A O no hydrogen 3.058 N/A VAL 81.A N PRO 77.A O no hydrogen 3.118 N/A ARG 82.A N GLN 34.A OE1 no hydrogen 2.825 N/A ARG 82.A NE ALA 32.A O no hydrogen 2.949 N/A ARG 82.A NH1 ASP 2.A O no hydrogen 3.543 N/A ARG 82.A NH2 ALA 32.A O no hydrogen 3.467 N/A GLY 84.A N VAL 35.A O no hydrogen 3.379 N/A ASP 85.A N PRO 25.A O no hydrogen 3.268 N/A LEU 86.A N LEU 37.A O no hydrogen 2.795 N/A GLY 87.A N ASP 85.A OD1 no hydrogen 2.929 N/A ALA 89.A N GLY 39.A O no hydrogen 2.985 N/A ASN 92.A N SER 99.A OG no hydrogen 2.913 N/A ASN 92.A ND2 ASP 98.A OD2 no hydrogen 2.887 N/A ILE 94.A N ASN 92.A OD1 no hydrogen 3.082 N/A ASP 95.A N ASN 92.A O no hydrogen 3.299 N/A ASP 98.A N ASP 95.A OD1 no hydrogen 2.735 N/A SER 99.A N ASP 95.A O no hydrogen 3.101 N/A SER 99.A OG ASP 95.A O no hydrogen 3.086 N/A LEU 100.A N LEU 96.A O no hydrogen 3.033 N/A ARG 101.A N LEU 97.A O no hydrogen 3.005 N/A ARG 102.A N ASP 98.A O no hydrogen 2.951 N/A ARG 102.A NH1 ASP 98.A OD2 no hydrogen 2.595 N/A ILE 103.A N SER 99.A O no hydrogen 2.815 N/A GLU 104.A N LEU 100.A O no hydrogen 3.068 N/A GLY 105.A N ARG 101.A O no hydrogen 3.044 N/A PHE 106.A N ARG 102.A O no hydrogen 2.924 N/A TYR 107.A N ILE 103.A O no hydrogen 2.968 N/A TYR 107.A OH SER 119.A OG no hydrogen 2.434 N/A ARG 108.A N GLU 104.A O no hydrogen 2.805 N/A GLN 109.A N GLY 105.A O no hydrogen 3.324 N/A VAL 110.A N PHE 106.A O no hydrogen 3.226 N/A HIS 111.A N TYR 107.A O no hydrogen 2.839 N/A ALA 112.A N ARG 108.A O no hydrogen 2.705 N/A ALA 113.A N VAL 110.A O no hydrogen 3.353 N/A GLY 114.A N HIS 111.A O no hydrogen 2.930 N/A THR 115.A N VAL 110.A O no hydrogen 3.245 N/A THR 115.A OG1 PRO 30.A O no hydrogen 2.606 N/A THR 115.A OG1 LEU 33.A O no hydrogen 3.058 N/A LEU 116.A N GLN 34.A O no hydrogen 2.727 N/A LEU 118.A N GLY 36.A O no hydrogen 2.928 N/A SER 119.A N ALA 278.A O no hydrogen 2.837 N/A SER 119.A OG TYR 107.A OH no hydrogen 2.434 N/A VAL 120.A N ILE 38.A O no hydrogen 2.854 N/A GLY 121.A N VAL 280.A O no hydrogen 2.747 N/A GLY 122.A N ALA 52.A O no hydrogen 2.807 N/A ASP 123.A N TRP 42.A O no hydrogen 2.913 N/A HIS 124.A N GLU 282.A OE2 no hydrogen 2.798 N/A HIS 124.A ND1 ASP 238.A OD2 no hydrogen 3.097 N/A HIS 124.A NE2 SER 236.A OG no hydrogen 2.699 N/A LEU 125.A N ASP 123.A OD1 no hydrogen 3.039 N/A VAL 126.A N ASP 123.A O no hydrogen 3.140 N/A THR 127.A N HIS 124.A O no hydrogen 3.139 N/A THR 127.A OG1 HIS 124.A O no hydrogen 3.353 N/A THR 127.A OG1 ASP 279.A OD2 no hydrogen 2.745 N/A LEU 128.A N LEU 125.A O no hydrogen 2.910 N/A PHE 131.A N THR 127.A O no hydrogen 2.908 N/A ARG 132.A N LEU 128.A O no hydrogen 2.808 N/A ARG 132.A NE GLU 173.A OE1 no hydrogen 2.760 N/A ARG 132.A NH2 TYR 161.A OH no hydrogen 2.871 N/A ARG 132.A NH2 GLU 173.A OE2 no hydrogen 2.867 N/A ALA 133.A N PRO 129.A O no hydrogen 3.195 N/A ALA 133.A N ILE 130.A O no hydrogen 2.909 N/A LEU 134.A N ILE 130.A O no hydrogen 2.905 N/A GLY 135.A N PHE 131.A O no hydrogen 2.826 N/A LEU 140.A N LEU 175.A O no hydrogen 2.850 N/A GLY 141.A N PRO 232.A O no hydrogen 2.863 N/A MET 142.A N ARG 180.A O no hydrogen 2.855 N/A VAL 143.A N TYR 234.A O no hydrogen 2.905 N/A HIS 144.A N VAL 182.A O no hydrogen 3.018 N/A HIS 144.A NE2 ASP 146.A OD2 no hydrogen 2.886 N/A PHE 145.A N SER 236.A O no hydrogen 2.936 N/A ASP 146.A N ILE 184.A O no hydrogen 3.131 N/A ALA 147.A N ASP 240.A OD1 no hydrogen 3.089 N/A HIS 148.A N ASP 146.A OD1 no hydrogen 2.965 N/A HIS 148.A NE2 GLU 254.A OE2 no hydrogen 2.648 N/A SER 149.A OG THR 151.A OG1 no hydrogen 2.842 N/A SER 149.A OG GLN 183.A OE1 no hydrogen 2.881 N/A THR 151.A OG1 SER 149.A OG no hydrogen 2.842 N/A ASN 152.A N GLY 164.A O no hydrogen 2.884 N/A ARG 154.A NE ASP 158.A OD2 no hydrogen 2.760 N/A ARG 154.A NH1 ASP 153.A OD1 no hydrogen 3.498 N/A TYR 155.A N ASN 159.A O no hydrogen 3.160 N/A ASN 159.A ND2 TYR 155.A O no hydrogen 3.099 N/A THR 162.A N THR 165.A OG1 no hydrogen 3.138 N/A HIS 163.A N GLY 45.A O no hydrogen 2.805 N/A HIS 163.A ND1 GLU 282.A OE2 no hydrogen 2.950 N/A GLY 164.A N THR 162.A OG1 no hydrogen 3.222 N/A THR 165.A N THR 162.A O no hydrogen 3.187 N/A THR 165.A OG1 PRO 160.A O no hydrogen 2.815 N/A THR 165.A OG1 THR 162.A O no hydrogen 3.236 N/A PHE 167.A N ASP 150.A O no hydrogen 3.129 N/A ARG 169.A N THR 165.A O no hydrogen 3.040 N/A ARG 169.A NE PRO 160.A O no hydrogen 3.155 N/A ARG 169.A NH2 ASP 153.A OD1 no hydrogen 2.934 N/A ALA 170.A N PRO 166.A O no hydrogen 2.836 N/A ILE 171.A N PHE 167.A O no hydrogen 3.016 N/A GLU 172.A N ARG 168.A O no hydrogen 3.047 N/A GLU 173.A N ARG 169.A O no hydrogen 3.013 N/A GLY 174.A N ILE 171.A O no hydrogen 2.977 N/A LEU 175.A N ALA 170.A O no hydrogen 2.972 N/A LEU 176.A N ALA 170.A O no hydrogen 3.152 N/A ASP 177.A N LEU 140.A O no hydrogen 2.779 N/A ARG 180.A N ASP 177.A O no hydrogen 2.845 N/A ARG 180.A NE ASP 177.A OD2 no hydrogen 3.026 N/A ARG 180.A NH1 PRO 232.A O no hydrogen 3.193 N/A THR 181.A N PRO 178.A O no hydrogen 3.100 N/A THR 181.A OG1 ASP 177.A O no hydrogen 2.798 N/A VAL 182.A N MET 142.A O no hydrogen 3.033 N/A GLN 183.A N ARG 205.A O no hydrogen 2.787 N/A GLN 183.A NE2 HIS 144.A ND1 no hydrogen 3.041 N/A GLN 183.A NE2 SER 149.A O no hydrogen 2.890 N/A ILE 184.A N HIS 144.A O no hydrogen 2.764 N/A GLY 185.A N ILE 207.A O no hydrogen 2.814 N/A ARG 187.A N ALA 147.A O no hydrogen 3.042 N/A ARG 187.A NE GLU 254.A O no hydrogen 3.105 N/A ARG 187.A NE ILE 255.A O no hydrogen 3.041 N/A ARG 187.A NH1 GLY 185.A O no hydrogen 3.248 N/A ARG 187.A NH1 VAL 241.A O no hydrogen 2.884 N/A ARG 187.A NH2 ASP 240.A O no hydrogen 2.736 N/A ARG 187.A NH2 VAL 241.A O no hydrogen 3.375 N/A ARG 187.A NH2 LEU 242.A O no hydrogen 3.310 N/A ARG 187.A NH2 GLU 254.A O no hydrogen 2.819 N/A SER 192.A OG ASP 194.A O no hydrogen 3.300 N/A ARG 200.A N ASP 196.A O no hydrogen 2.794 N/A GLU 201.A N ALA 197.A O no hydrogen 2.999 N/A CYS 202.A N PHE 198.A O no hydrogen 3.142 N/A CYS 202.A SG PHE 198.A O no hydrogen 3.230 N/A CYS 202.A SG ALA 199.A O no hydrogen 4.045 N/A GLY 203.A N ALA 199.A O no hydrogen 2.841 N/A ILE 204.A N ALA 199.A O no hydrogen 2.907 N/A ARG 205.A N THR 181.A O no hydrogen 3.090 N/A ARG 205.A NE GLU 223.A OE2 no hydrogen 2.722 N/A ARG 205.A NH1 GLU 211.A OE1 no hydrogen 3.198 N/A ARG 205.A NH1 GLU 211.A OE2 no hydrogen 3.357 N/A ARG 205.A NH2 GLU 211.A OE2 no hydrogen 2.752 N/A ILE 207.A N GLN 183.A O no hydrogen 2.662 N/A HIS 208.A NE2 ASP 196.A OD1 no hydrogen 2.718 N/A MET 209.A N ILE 186.A O no hydrogen 2.815 N/A PHE 212.A N HIS 208.A O no hydrogen 2.896 N/A VAL 213.A N MET 209.A O no hydrogen 3.079 N/A GLU 214.A N GLU 210.A O no hydrogen 3.190 N/A LEU 215.A N GLU 211.A O no hydrogen 2.731 N/A GLY 216.A N PHE 212.A O no hydrogen 2.738 N/A THR 220.A N GLY 216.A O no hydrogen 3.019 N/A THR 220.A OG1 GLY 216.A O no hydrogen 2.583 N/A LEU 221.A N VAL 217.A O no hydrogen 2.831 N/A ALA 222.A N GLU 218.A O no hydrogen 2.927 N/A GLU 223.A N ALA 219.A O no hydrogen 3.030 N/A ALA 224.A N THR 220.A O no hydrogen 2.881 N/A ARG 225.A N LEU 221.A O no hydrogen 2.953 N/A ARG 225.A NH1 GLY 269.A O no hydrogen 2.758 N/A ARG 225.A NH1 ARG 271.A O no hydrogen 2.980 N/A ARG 225.A NH2 ARG 271.A O no hydrogen 3.396 N/A ARG 226.A N ALA 222.A O no hydrogen 2.785 N/A ARG 226.A NE GLU 223.A OE1 no hydrogen 3.007 N/A ARG 226.A NE GLU 223.A OE2 no hydrogen 3.499 N/A ARG 226.A NH2 GLU 223.A OE2 no hydrogen 3.016 N/A VAL 227.A N GLU 223.A O no hydrogen 3.017 N/A VAL 228.A N ALA 224.A O no hydrogen 3.262 N/A GLY 229.A N ARG 225.A O no hydrogen 2.860 N/A THR 233.A N ASP 274.A O no hydrogen 2.839 N/A THR 233.A OG1 GLY 231.A O no hydrogen 2.994 N/A TYR 234.A N GLY 141.A O no hydrogen 2.928 N/A TYR 234.A OH ASP 279.A OD2 no hydrogen 2.721 N/A VAL 235.A N GLY 277.A O no hydrogen 3.266 N/A SER 236.A N VAL 143.A O no hydrogen 2.834 N/A SER 236.A OG HIS 124.A NE2 no hydrogen 2.699 N/A SER 236.A OG ASP 279.A OD1 no hydrogen 2.702 N/A PHE 237.A N ASP 279.A O no hydrogen 2.884 N/A ASP 238.A N PHE 145.A O no hydrogen 2.863 N/A VAL 239.A N VAL 281.A O no hydrogen 3.286 N/A ASP 240.A N ASP 238.A OD1 no hydrogen 2.951 N/A VAL 241.A N ASP 238.A O no hydrogen 2.969 N/A LEU 242.A N VAL 239.A O no hydrogen 2.779 N/A ASP 243.A N MET 258.A O no hydrogen 2.855 N/A ALA 245.A N ASP 243.A OD2 no hydrogen 2.874 N/A PHE 246.A N ASP 243.A O no hydrogen 2.797 N/A ALA 247.A N ASP 243.A O no hydrogen 3.075 N/A GLY 249.A N THR 293.A OG1 no hydrogen 2.714 N/A THR 250.A N PRO 248.A O no hydrogen 2.911 N/A THR 250.A OG1 GLU 282.A O no hydrogen 2.797 N/A GLY 257.A N ASP 243.A OD1 no hydrogen 3.021 N/A MET 258.A N VAL 241.A O no hydrogen 2.968 N/A THR 259.A N GLN 262.A OE1 no hydrogen 3.118 N/A GLN 262.A N THR 259.A OG1 no hydrogen 3.013 N/A ALA 263.A N THR 259.A O no hydrogen 3.068 N/A GLN 264.A N SER 260.A O no hydrogen 3.016 N/A GLN 264.A NE2 GLU 303.A OE2 no hydrogen 3.158 N/A GLN 265.A N LEU 261.A O no hydrogen 2.971 N/A LEU 266.A N GLN 262.A O no hydrogen 2.843 N/A VAL 267.A N ALA 263.A O no hydrogen 2.858 N/A ARG 268.A N GLN 264.A O no hydrogen 2.825 N/A ARG 268.A NE GLU 303.A OE1 no hydrogen 2.918 N/A ARG 268.A NE GLU 303.A OE2 no hydrogen 3.321 N/A ARG 268.A NH2 GLU 303.A OE2 no hydrogen 2.866 N/A GLY 269.A N GLN 265.A O no hydrogen 3.130 N/A LEU 270.A N VAL 267.A O no hydrogen 2.948 N/A ARG 271.A N ARG 268.A O no hydrogen 3.451 N/A ARG 271.A NE GLU 310.A OE1 no hydrogen 3.268 N/A ARG 271.A NE GLU 310.A OE2 no hydrogen 3.041 N/A ARG 271.A NH2 GLU 310.A OE1 no hydrogen 2.830 N/A LEU 273.A N LEU 270.A O no hydrogen 3.418 N/A LEU 275.A N LEU 273.A O no hydrogen 2.920 N/A LEU 275.A N SER 311.A OG no hydrogen 3.339 N/A VAL 276.A N THR 233.A O no hydrogen 2.936 N/A ALA 278.A N PRO 117.A O no hydrogen 3.052 N/A ASP 279.A N VAL 235.A O no hydrogen 3.048 N/A VAL 280.A N SER 119.A O no hydrogen 2.748 N/A VAL 281.A N PHE 237.A O no hydrogen 2.930 N/A GLU 282.A N GLY 122.A O no hydrogen 2.678 N/A SER 284.A N GLY 249.A O no hydrogen 2.726 N/A SER 284.A OG ALA 50.A O no hydrogen 3.333 N/A PHE 287.A N SER 284.A O no hydrogen 3.099 N/A ASP 288.A N PRO 285.A O no hydrogen 2.991 N/A VAL 289.A N ASP 288.A OD1 no hydrogen 2.848 N/A ALA 292.A N VAL 289.A O no hydrogen 3.105 N/A THR 293.A N ASP 288.A OD1 no hydrogen 2.761 N/A THR 293.A OG1 ASP 288.A OD1 no hydrogen 2.730 N/A ALA 294.A N ASP 288.A OD2 no hydrogen 3.036 N/A LEU 295.A N GLY 291.A O no hydrogen 2.723 N/A VAL 296.A N ALA 292.A O no hydrogen 2.848 N/A GLY 297.A N THR 293.A O no hydrogen 2.789 N/A ALA 298.A N ALA 294.A O no hydrogen 3.012 N/A THR 299.A N LEU 295.A O no hydrogen 2.946 N/A THR 299.A OG1 LEU 295.A O no hydrogen 2.868 N/A MET 300.A N VAL 296.A O no hydrogen 2.963 N/A MET 301.A N GLY 297.A O no hydrogen 3.000 N/A PHE 302.A N ALA 298.A O no hydrogen 2.906 N/A GLU 303.A N THR 299.A O no hydrogen 2.859 N/A LEU 304.A N MET 300.A O no hydrogen 2.895 N/A LEU 305.A N MET 301.A O no hydrogen 2.917 N/A CYS 306.A N PHE 302.A O no hydrogen 3.134 N/A CYS 306.A SG PHE 302.A O no hydrogen 3.562 N/A LEU 308.A N LEU 304.A O no hydrogen 2.961 N/A ALA 309.A N LEU 305.A O no hydrogen 2.733 N/A GLU 310.A N CYS 306.A O no hydrogen 3.122 N/A SER 311.A N LEU 307.A O no hydrogen 3.061 N/A SER 311.A OG LEU 275.A O no hydrogen 3.557 N/A ALA 312.A N LEU 308.A O no hydrogen 2.788 N/A ALA 313.A N ALA 309.A O no hydrogen 2.905 N/A ARG 314.A N GLU 310.A O no hydrogen 3.203 N/A ARG 314.A NH2 LEU 273.A O no hydrogen 3.493 N/A ARG 314.A NH2 SER 311.A OG no hydrogen 3.164 N/A