Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N SER 3.A OG no hydrogen 3.080 N/A THR 4.A N ASP 1.A O no hydrogen 3.108 N/A LEU 5.A N ILE 2.A O no hydrogen 2.956 N/A ARG 7.A NE GLU 33.A OE2 no hydrogen 2.956 N/A ARG 7.A NH2 GLU 33.A OE2 no hydrogen 2.922 N/A ARG 7.A NH2 GLU 75.A OE1 no hydrogen 3.190 N/A VAL 8.A N VAL 31.A O no hydrogen 3.147 N/A VAL 10.A N GLU 33.A O no hydrogen 3.053 N/A PHE 17.A N LYS 14.A O no hydrogen 3.130 N/A GLN 23.A NE2 TYR 165.A O no hydrogen 2.905 N/A ALA 25.A N ARG 152.A O no hydrogen 2.871 N/A THR 27.A OG1 GLY 28.A O no hydrogen 3.289 N/A ARG 30.A N ASP 72.A OD1 no hydrogen 3.072 N/A VAL 31.A N PRO 6.A O no hydrogen 2.990 N/A VAL 32.A N TYR 73.A O no hydrogen 2.809 N/A GLU 33.A N VAL 8.A O no hydrogen 2.984 N/A PHE 34.A N GLU 75.A O no hydrogen 2.902 N/A MET 36.A N ARG 77.A O no hydrogen 2.939 N/A THR 37.A N ASN 58.A OD1 no hydrogen 2.958 N/A ILE 38.A N ILE 79.A O no hydrogen 2.888 N/A GLU 39.A N THR 56.A O no hydrogen 3.028 N/A GLU 40.A N ASN 84.A OD1 no hydrogen 3.077 N/A LYS 41.A N ALA 54.A O no hydrogen 2.882 N/A LEU 43.A N ILE 52.A O no hydrogen 2.864 N/A ILE 45.A N THR 50.A O no hydrogen 2.827 N/A GLY 49.A N ASP 46.A O no hydrogen 3.172 N/A THR 50.A N ASP 46.A OD1 no hydrogen 2.915 N/A THR 50.A OG1 ASP 46.A OD1 no hydrogen 3.204 N/A THR 50.A OG1 ASP 46.A OD2 no hydrogen 2.796 N/A ILE 52.A N LEU 43.A O no hydrogen 2.877 N/A ALA 54.A N LYS 41.A O no hydrogen 2.685 N/A MET 55.A N SER 141.A O no hydrogen 3.006 N/A THR 56.A N GLU 39.A O no hydrogen 3.003 N/A THR 56.A OG1 GLU 39.A O no hydrogen 2.723 N/A ASN 58.A N THR 37.A O no hydrogen 2.784 N/A SER 60.A OG PRO 62.A O no hydrogen 2.725 N/A GLY 63.A N ASN 144.A O no hydrogen 2.835 N/A MET 66.A N ALA 146.A O no hydrogen 3.226 N/A VAL 68.A N MET 148.A O no hydrogen 2.929 N/A HIS 69.A N ASP 72.A OD2 no hydrogen 2.980 N/A HIS 69.A NE2 ASP 22.A O no hydrogen 2.653 N/A GLU 70.A N LEU 150.A O no hydrogen 2.880 N/A ASN 71.A N ALA 119.A O no hydrogen 2.727 N/A ASP 72.A N HIS 69.A O no hydrogen 3.074 N/A TYR 73.A N ARG 30.A O no hydrogen 2.941 N/A VAL 74.A N PHE 117.A O no hydrogen 2.830 N/A GLU 75.A N VAL 32.A O no hydrogen 2.862 N/A LEU 76.A N LEU 115.A O no hydrogen 2.875 N/A ARG 77.A N PHE 34.A O no hydrogen 2.899 N/A ARG 77.A NE GLU 112.A OE2 no hydrogen 2.946 N/A ARG 77.A NH2 GLU 112.A OE1 no hydrogen 2.989 N/A ARG 77.A NH2 GLU 112.A OE2 no hydrogen 3.499 N/A LEU 78.A N THR 113.A O no hydrogen 2.865 N/A ILE 79.A N MET 36.A O no hydrogen 3.019 N/A ASN 80.A N GLU 111.A O no hydrogen 2.933 N/A ASN 80.A ND2 LEU 86.A O ASN 80.A HD21 2.962 2.021 ASN 80.A ND2 VAL 107.A O ASN 80.A HD22 2.904 1.987 ASN 84.A N PRO 81.A O no hydrogen 3.015 N/A ASN 84.A ND2 ILE 38.A O ASN 84.A HD21 3.104 2.128 ASN 84.A ND2 ASN 80.A OD1 ASN 84.A HD22 2.685 1.759 THR 85.A N GLU 40.A OE1 no hydrogen 2.902 N/A THR 85.A N GLU 40.A OE2 no hydrogen 3.385 N/A THR 85.A OG1 GLU 40.A OE1 no hydrogen 2.859 N/A LEU 86.A N GLU 40.A OE2 no hydrogen 3.012 N/A HIS 88.A N VAL 107.A O no hydrogen 3.154 N/A HIS 88.A ND1 HIS 138.A ND1 no hydrogen 3.105 N/A HIS 88.A NE2 GLU 40.A OE2 no hydrogen 2.742 N/A ASN 89.A ND2 GLY 102.A O ASN 89.A HD22 2.944 2.082 ASN 89.A ND2 ALA 130.A O ASN 89.A HD21 3.005 2.081 ILE 90.A N THR 105.A OG1 no hydrogen 3.078 N/A ASP 91.A N HIS 128.A O no hydrogen 2.776 N/A PHE 92.A N GLY 100.A O no hydrogen 2.898 N/A HIS 93.A N VAL 126.A O no hydrogen 2.967 N/A HIS 93.A NE2 HIS 128.A NE2 no hydrogen 3.145 N/A ALA 95.A N PHE 92.A O no hydrogen 3.119 N/A GLY 100.A N GLY 97.A O no hydrogen 2.842 N/A GLY 101.A N ALA 98.A O no hydrogen 2.976 N/A GLY 102.A N LEU 99.A O no hydrogen 3.219 N/A ALA 103.A N ALA 98.A O no hydrogen 3.197 N/A LEU 104.A N GLY 101.A O no hydrogen 2.979 N/A THR 105.A OG1 ILE 90.A O no hydrogen 3.196 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.821 N/A GLN 106.A NE2 GLY 102.A O no hydrogen 3.293 N/A VAL 107.A N HIS 88.A O no hydrogen 2.999 N/A ASN 108.A N GLU 111.A OE1 no hydrogen 2.955 N/A GLY 110.A N ASN 80.A O no hydrogen 2.611 N/A GLU 111.A N ASN 108.A O no hydrogen 3.054 N/A THR 113.A N LEU 78.A O no hydrogen 2.986 N/A LEU 115.A N LEU 76.A O no hydrogen 3.029 N/A ARG 116.A NH1 GLU 75.A OE1 no hydrogen 3.015 N/A PHE 117.A N VAL 74.A O no hydrogen 2.995 N/A ALA 119.A N ASP 72.A O no hydrogen 3.077 N/A THR 120.A N LYS 118.A O no hydrogen 3.007 N/A GLY 123.A N VAL 149.A O no hydrogen 2.795 N/A VAL 124.A N GLY 261.A O no hydrogen 2.889 N/A PHE 125.A N ILE 147.A O no hydrogen 2.827 N/A TYR 127.A N GLY 145.A O no hydrogen 3.194 N/A TYR 127.A OH PRO 64.A O no hydrogen 2.792 N/A HIS 128.A N ASP 91.A O no hydrogen 2.863 N/A HIS 128.A ND1 CYS 129.A O no hydrogen 2.951 N/A HIS 128.A NE2 HIS 93.A NE2 no hydrogen 3.145 N/A CYS 129.A N MET 143.A O no hydrogen 3.096 N/A CYS 129.A SG HIS 88.A ND1 no hydrogen 3.841 N/A CYS 129.A SG ASN 89.A O no hydrogen 3.628 N/A CYS 129.A SG ASN 89.A OD1 no hydrogen 3.673 N/A CYS 129.A SG HIS 138.A ND1 no hydrogen 3.270 N/A ALA 130.A N ASN 89.A OD1 no hydrogen 2.720 N/A MET 134.A N PRO 131.A O no hydrogen 3.040 N/A HIS 138.A N MET 134.A O no hydrogen 3.166 N/A VAL 139.A N VAL 135.A O no hydrogen 3.073 N/A THR 140.A N PRO 136.A O no hydrogen 2.868 N/A THR 140.A OG1 PRO 136.A O no hydrogen 2.797 N/A SER 141.A N HIS 138.A O no hydrogen 3.278 N/A SER 141.A OG TRP 137.A O no hydrogen 2.691 N/A GLY 142.A N VAL 139.A O no hydrogen 3.081 N/A MET 143.A N HIS 138.A O no hydrogen 3.239 N/A ASN 144.A N GLY 142.A O no hydrogen 3.056 N/A ASN 144.A ND2 VAL 139.A O ASN 144.A HD22 3.160 2.537 ASN 144.A ND2 GLN 174.A OE1 ASN 144.A HD21 2.914 1.959 GLY 145.A N TYR 127.A O no hydrogen 2.932 N/A ILE 147.A N PHE 125.A O no hydrogen 2.868 N/A MET 148.A N MET 66.A O no hydrogen 2.700 N/A VAL 149.A N GLY 123.A O no hydrogen 2.725 N/A LEU 150.A N VAL 68.A O no hydrogen 2.966 N/A ARG 152.A NH2 ALA 25.A O no hydrogen 3.176 N/A GLY 154.A N PRO 151.A O no hydrogen 3.052 N/A LYS 156.A NZ ASP 153.A O no hydrogen 3.076 N/A LYS 156.A NZ ASP 153.A OD2 no hydrogen 2.928 N/A ASP 157.A N GLN 161.A O no hydrogen 2.757 N/A GLU 158.A N GLU 158.A OE1 GLU 158.A H 2.921 2.107 LYS 159.A N ASP 157.A OD1 no hydrogen 2.928 N/A GLY 160.A N ASP 157.A O no hydrogen 3.037 N/A GLN 161.A N ASP 157.A OD1 no hydrogen 2.871 N/A LEU 163.A N LEU 155.A O no hydrogen 2.845 N/A TYR 165.A N GLN 23.A OE1 no hydrogen 3.310 N/A ASP 166.A N ARG 233.A O no hydrogen 2.751 N/A LYS 167.A N ARG 233.A O no hydrogen 3.220 N/A LYS 167.A NZ GLU 232.A OE1 no hydrogen 3.342 N/A LYS 167.A NZ GLU 232.A OE2 no hydrogen 2.947 N/A TYR 169.A N LEU 235.A O no hydrogen 3.069 N/A TYR 169.A OH THR 227.A O no hydrogen 2.820 N/A TYR 170.A N PRO 16.A O no hydrogen 2.869 N/A TYR 170.A OH SER 239.A OG no hydrogen 2.768 N/A VAL 171.A N VAL 237.A O no hydrogen 2.829 N/A GLU 173.A N SER 239.A O no hydrogen 3.037 N/A GLN 174.A N VAL 212.A O no hydrogen 2.825 N/A GLN 174.A NE2 VAL 139.A O no hydrogen 3.413 N/A GLN 174.A NE2 ASP 175.A O no hydrogen 3.124 N/A PHE 176.A N HIS 210.A O no hydrogen 2.749 N/A TYR 177.A OH ASP 175.A OD2 no hydrogen 2.735 N/A VAL 178.A N THR 209.A OG1 no hydrogen 2.957 N/A ASP 181.A N ASN 185.A O no hydrogen 2.780 N/A GLY 184.A N ASP 181.A O no hydrogen 3.104 N/A ASN 185.A N ASP 181.A OD1 no hydrogen 2.895 N/A ASN 185.A ND2 ASP 181.A OD2 ASN 185.A HD22 3.469 2.525 LYS 187.A N PRO 179.A O no hydrogen 2.868 N/A TYR 189.A OH ASP 198.A OD2 no hydrogen 2.591 N/A GLU 190.A N GLU 194.A OE1 no hydrogen 2.978 N/A ALA 195.A N PRO 192.A O no hydrogen 2.891 N/A TYR 196.A N PRO 192.A O no hydrogen 3.251 N/A TYR 196.A N GLY 193.A O no hydrogen 3.327 N/A ALA 199.A N ALA 195.A O no hydrogen 2.906 N/A VAL 200.A N TYR 196.A O no hydrogen 3.198 N/A ALA 202.A N ASP 198.A O no hydrogen 2.984 N/A MET 203.A N ALA 199.A O no hydrogen 2.883 N/A ARG 204.A N VAL 200.A O no hydrogen 3.164 N/A THR 205.A N ALA 202.A O no hydrogen 3.368 N/A THR 205.A OG1 ALA 202.A O no hydrogen 2.848 N/A LEU 206.A N MET 203.A O no hydrogen 2.915 N/A THR 207.A N THR 205.A OG1 no hydrogen 3.165 N/A THR 207.A OG1 THR 205.A O no hydrogen 3.231 N/A THR 209.A N PHE 176.A O no hydrogen 2.761 N/A THR 209.A OG1 PHE 176.A O no hydrogen 3.314 N/A THR 209.A OG1 HIS 210.A ND1 no hydrogen 2.847 N/A HIS 210.A N PHE 176.A O no hydrogen 3.396 N/A HIS 210.A ND1 THR 209.A OG1 no hydrogen 2.847 N/A HIS 210.A NE2 ASP 46.A OD2 no hydrogen 2.972 N/A ILE 211.A N LEU 307.A O no hydrogen 3.178 N/A VAL 212.A N GLN 174.A O no hydrogen 2.882 N/A ASN 214.A N GLY 172.A O no hydrogen 3.096 N/A VAL 217.A N ILE 45.A O no hydrogen 2.962 N/A ALA 219.A N ALA 216.A O no hydrogen 3.052 N/A THR 221.A N GLY 218.A O no hydrogen 3.276 N/A THR 221.A OG1 GLY 218.A O no hydrogen 2.777 N/A HIS 224.A N THR 221.A O no hydrogen 2.846 N/A ALA 225.A N GLY 222.A O no hydrogen 3.221 N/A LEU 226.A N HIS 312.A O no hydrogen 2.837 N/A THR 227.A N TYR 169.A OH no hydrogen 3.211 N/A THR 227.A OG1 TYR 169.A OH no hydrogen 3.335 N/A ALA 228.A N LYS 314.A O no hydrogen 3.368 N/A ALA 229.A N GLU 232.A OE1 no hydrogen 2.968 N/A VAL 230.A N THR 316.A O no hydrogen 2.805 N/A GLY 231.A N PHE 288.A O no hydrogen 2.786 N/A GLU 232.A N ALA 229.A O no hydrogen 3.070 N/A ARG 233.A N ASP 166.A OD2 no hydrogen 2.965 N/A ARG 233.A NH1 ASP 166.A OD2 no hydrogen 3.112 N/A VAL 234.A N TYR 286.A O no hydrogen 2.879 N/A LEU 235.A N LYS 167.A O no hydrogen 2.961 N/A VAL 236.A N ALA 284.A O no hydrogen 2.801 N/A VAL 237.A N TYR 169.A O no hydrogen 3.020 N/A HIS 238.A N GLY 282.A O no hydrogen 2.927 N/A HIS 238.A ND1 TYR 296.A OH no hydrogen 2.711 N/A HIS 238.A NE2 GLU 173.A OE1 no hydrogen 2.904 N/A SER 239.A N VAL 171.A O no hydrogen 3.149 N/A SER 239.A OG TYR 170.A OH no hydrogen 2.768 N/A GLN 240.A N THR 280.A O no hydrogen 3.141 N/A GLN 240.A NE2 ASP 175.A OD1 no hydrogen 3.102 N/A ASN 242.A N GLN 240.A OE1 no hydrogen 2.930 N/A ASN 242.A ND2 ASP 175.A OD2 ASN 242.A HD22 3.003 2.065 ARG 243.A N GLN 240.A OE1 no hydrogen 3.036 N/A THR 245.A N ILE 276.A O no hydrogen 3.061 N/A THR 245.A OG1 GLU 173.A OE1 no hydrogen 2.623 N/A THR 245.A OG1 GLU 173.A OE2 no hydrogen 3.290 N/A ARG 246.A NH1 ASN 298.A OD1 no hydrogen 2.968 N/A ARG 246.A NH1 GLU 303.A OE1 no hydrogen 3.427 N/A HIS 248.A N VAL 297.A O no hydrogen 2.813 N/A HIS 248.A ND1 GLU 272.A O no hydrogen 2.604 N/A HIS 248.A ND1 THR 273.A OG1 no hydrogen 3.141 N/A ILE 250.A N ALA 295.A O no hydrogen 2.771 N/A GLY 252.A N LEU 249.A O no hydrogen 3.028 N/A GLY 254.A N GLN 271.A O no hydrogen 2.976 N/A TYR 256.A N PHE 285.A O no hydrogen 3.236 N/A VAL 257.A N ASP 268.A O no hydrogen 2.840 N/A TRP 258.A N ALA 283.A O no hydrogen 2.880 N/A TRP 258.A NE1 ASN 265.A O no hydrogen 2.950 N/A GLY 261.A N TRP 258.A O no hydrogen 2.984 N/A LYS 262.A NZ VAL 124.A O no hydrogen 2.821 N/A LYS 262.A NZ THR 260.A O no hydrogen 2.808 N/A ARG 264.A NH2 GLU 70.A OE2 no hydrogen 2.511 N/A ARG 264.A NH2 THR 120.A O no hydrogen 3.452 N/A ASN 265.A N LYS 262.A O no hydrogen 3.239 N/A ASN 265.A ND2 LYS 262.A O ASN 265.A HD22 3.161 2.274 ASP 268.A N VAL 257.A O no hydrogen 2.771 N/A ASP 270.A N ASP 255.A O no hydrogen 3.225 N/A GLN 271.A N GLY 254.A O no hydrogen 3.025 N/A GLN 271.A NE2 LEU 269.A O no hydrogen 2.909 N/A THR 273.A OG1 HIS 248.A ND1 no hydrogen 3.141 N/A TRP 274.A N PRO 247.A O no hydrogen 3.430 N/A ILE 276.A N THR 245.A O no hydrogen 2.962 N/A GLY 278.A N ASP 244.A OD1 no hydrogen 2.831 N/A GLY 279.A N GLN 240.A O no hydrogen 2.650 N/A THR 280.A N GLN 240.A O no hydrogen 3.180 N/A THR 280.A OG1 PRO 277.A O no hydrogen 2.956 N/A GLY 282.A N HIS 238.A O no hydrogen 2.842 N/A ALA 283.A N TRP 258.A O no hydrogen 3.089 N/A ALA 284.A N VAL 236.A O no hydrogen 2.974 N/A PHE 285.A N TYR 256.A O no hydrogen 2.780 N/A TYR 286.A N VAL 234.A O no hydrogen 3.016 N/A THR 287.A N ASP 255.A OD2 no hydrogen 3.196 N/A PHE 288.A N GLU 232.A O no hydrogen 3.238 N/A ARG 289.A NE THR 287.A O no hydrogen 2.991 N/A ARG 289.A NH2 ASP 255.A OD1 no hydrogen 3.112 N/A GLN 290.A NE2 ASN 320.A O no hydrogen 3.091 N/A GLY 292.A N VAL 315.A O no hydrogen 2.861 N/A TYR 294.A N PHE 313.A O no hydrogen 2.849 N/A TYR 294.A OH GLN 290.A O no hydrogen 2.744 N/A TYR 296.A N GLY 311.A O no hydrogen 2.863 N/A TYR 296.A OH HIS 238.A ND1 no hydrogen 2.711 N/A VAL 297.A N HIS 248.A O no hydrogen 2.873 N/A ASN 298.A N ALA 309.A O no hydrogen 3.364 N/A ASN 298.A ND2 GLU 173.A OE2 ASN 298.A HD22 2.896 2.102 HIS 299.A N ARG 246.A O no hydrogen 2.775 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 3.058 N/A ALA 304.A N ASN 300.A O no hydrogen 2.972 N/A PHE 305.A N LEU 301.A O no hydrogen 2.852 N/A GLU 306.A N ILE 302.A O no hydrogen 2.809 N/A LEU 307.A N ILE 302.A O no hydrogen 3.060 N/A ALA 309.A N GLU 303.A O no hydrogen 3.130 N/A ALA 310.A N GLY 308.A O no hydrogen 2.917 N/A GLY 311.A N TYR 296.A O no hydrogen 2.899 N/A HIS 312.A N LEU 220.A O no hydrogen 2.871 N/A PHE 313.A N TYR 294.A O no hydrogen 2.900 N/A LYS 314.A N LEU 226.A O no hydrogen 2.886 N/A LYS 314.A NZ GLY 222.A O no hydrogen 2.243 N/A VAL 315.A N GLY 292.A O no hydrogen 2.889 N/A THR 316.A N ALA 228.A O no hydrogen 3.055 N/A TRP 319.A NE1 MET 324.A O no hydrogen 2.892 N/A ASN 320.A N GLN 290.A OE1 no hydrogen 2.788 N/A ASP 322.A N ASN 320.A OD1 no hydrogen 2.914 N/A MET 324.A N ASN 320.A O no hydrogen 3.361 N/A THR 325.A OG1 ASP 321.A OD1 no hydrogen 3.196 N/A