Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ni4_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N PHE 174.A O no hydrogen 2.921 N/A VAL 6.A N VAL 172.A O no hydrogen 3.264 N/A ARG 7.A N TYR 170.A O no hydrogen 2.968 N/A ARG 7.A NE TYR 37.A O no hydrogen 2.761 N/A ARG 7.A NH2 TYR 37.A O no hydrogen 2.923 N/A ASP 8.A N THR 5.A OG1 no hydrogen 3.256 N/A ALA 9.A N THR 5.A O no hydrogen 2.941 N/A ILE 10.A N VAL 6.A O no hydrogen 2.968 N/A ASN 11.A N ARG 7.A O no hydrogen 3.163 N/A ASN 11.A ND2 VAL 39.A O no hydrogen 2.744 N/A ASN 11.A ND2 ARG 41.A O no hydrogen 3.117 N/A GLN 12.A N ASP 8.A O no hydrogen 2.963 N/A GLY 13.A N ALA 9.A O no hydrogen 3.033 N/A GLU 15.A N GLN 12.A O no hydrogen 2.897 N/A GLU 16.A N GLY 13.A O no hydrogen 3.027 N/A GLU 18.A N ASP 14.A O no hydrogen 3.095 N/A ARG 19.A N GLU 15.A O no hydrogen 3.141 N/A ASP 20.A N GLU 16.A O no hydrogen 3.100 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.817 N/A LYS 22.A N ASP 20.A OD1 no hydrogen 2.697 N/A VAL 23.A N ASP 20.A O no hydrogen 3.144 N/A PHE 24.A N ARG 73.A O no hydrogen 3.357 N/A LEU 25.A N ARG 51.A O no hydrogen 2.842 N/A LEU 26.A N ILE 75.A O no hydrogen 3.062 N/A GLY 27.A N ILE 53.A O no hydrogen 3.238 N/A ALA 31.A N ASP 54.A OD1 no hydrogen 2.790 N/A GLN 32.A N ASP 54.A OD2 no hydrogen 3.388 N/A ASP 34.A N ALA 31.A O no hydrogen 2.857 N/A GLY 35.A N GLU 29.A O no hydrogen 2.928 N/A LYS 38.A N GLY 35.A O no hydrogen 2.987 N/A LYS 38.A NZ TYR 33.A O no hydrogen 3.378 N/A LYS 38.A NZ GLY 35.A O no hydrogen 3.224 N/A SER 40.A OG VAL 30.A O no hydrogen 2.765 N/A ARG 41.A N LYS 38.A O no hydrogen 3.418 N/A GLY 42.A N ASP 34.A OD2 no hydrogen 3.082 N/A LEU 43.A N SER 40.A O no hydrogen 3.155 N/A TRP 44.A NE1 ASP 49.A OD1 no hydrogen 2.759 N/A LYS 46.A N GLY 42.A O no hydrogen 3.163 N/A LYS 46.A N LEU 43.A O no hydrogen 3.219 N/A LYS 46.A NZ ASP 14.A OD1 no hydrogen 3.075 N/A LYS 46.A NZ TYR 47.A OH no hydrogen 3.398 N/A TYR 47.A N LEU 43.A O no hydrogen 2.841 N/A TYR 47.A OH ASP 14.A OD1 no hydrogen 2.646 N/A GLY 48.A N TRP 44.A O no hydrogen 2.853 N/A ARG 51.A NE VAL 23.A O no hydrogen 2.935 N/A ARG 51.A NH2 LEU 17.A O no hydrogen 2.835 N/A ARG 51.A NH2 VAL 23.A O no hydrogen 2.842 N/A ILE 52.A N GLY 48.A O no hydrogen 3.045 N/A ILE 53.A N LEU 25.A O no hydrogen 2.906 N/A THR 55.A N GLY 27.A O no hydrogen 3.048 N/A THR 55.A OG1 PRO 56.A O no hydrogen 3.294 N/A SER 58.A N PRO 56.A O no hydrogen 2.835 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.800 N/A PHE 61.A N SER 58.A O no hydrogen 2.945 N/A ALA 62.A N GLU 59.A O no hydrogen 3.021 N/A ILE 64.A N GLY 60.A O no hydrogen 2.864 N/A ALA 65.A N PHE 61.A O no hydrogen 2.884 N/A VAL 66.A N ALA 62.A O no hydrogen 2.953 N/A GLY 67.A N GLY 63.A O no hydrogen 2.992 N/A ALA 68.A N ILE 64.A O no hydrogen 2.963 N/A ALA 69.A N ALA 65.A O no hydrogen 2.971 N/A GLY 71.A N ALA 69.A O no hydrogen 2.928 N/A LEU 72.A N ALA 68.A O no hydrogen 2.884 N/A ARG 73.A N LYS 22.A O no hydrogen 2.955 N/A ARG 73.A NE ILE 156.A O no hydrogen 3.300 N/A ARG 73.A NH2 ILE 156.A O no hydrogen 3.075 N/A ILE 75.A N PHE 24.A O no hydrogen 2.784 N/A CYS 76.A N VAL 108.A O no hydrogen 2.640 N/A GLU 77.A N LEU 26.A O no hydrogen 2.967 N/A PHE 78.A N ARG 110.A O no hydrogen 2.965 N/A PHE 80.A N PRO 112.A O no hydrogen 3.023 N/A ASN 81.A ND2 THR 79.A OG1 no hydrogen 3.267 N/A PHE 82.A N THR 79.A O no hydrogen 3.120 N/A SER 83.A N PHE 80.A O no hydrogen 2.927 N/A SER 83.A OG PHE 80.A O no hydrogen 2.748 N/A SER 83.A OG TYR 131.A OH no hydrogen 2.706 N/A ALA 85.A N SER 83.A O no hydrogen 2.935 N/A GLN 88.A N ALA 85.A O no hydrogen 3.003 N/A VAL 89.A N ALA 85.A O no hydrogen 3.324 N/A ILE 90.A N ILE 86.A O no hydrogen 2.965 N/A ASN 91.A N ASP 87.A O no hydrogen 2.769 N/A ASN 91.A ND2 ASP 87.A OD1 no hydrogen 3.015 N/A SER 92.A N GLN 88.A O no hydrogen 3.290 N/A SER 92.A OG GLN 88.A OE1 no hydrogen 2.906 N/A ALA 94.A N VAL 89.A O no hydrogen 3.065 N/A LYS 95.A NZ ASN 91.A OD1 no hydrogen 2.741 N/A THR 96.A OG1 SER 92.A O no hydrogen 2.534 N/A SER 99.A OG THR 96.A O no hydrogen 2.826 N/A SER 99.A OG TYR 97.A O no hydrogen 2.997 N/A GLY 100.A N TYR 98.A O no hydrogen 2.947 N/A GLY 101.A N TYR 97.A O no hydrogen 2.754 N/A LEU 102.A N SER 99.A OG no hydrogen 3.223 N/A GLN 103.A N SER 99.A OG no hydrogen 3.020 N/A GLN 103.A NE2 PRO 104.A O no hydrogen 2.998 N/A VAL 108.A N PRO 74.A O no hydrogen 3.110 N/A PHE 109.A N VAL 162.A O no hydrogen 2.972 N/A ARG 110.A N CYS 76.A O no hydrogen 3.028 N/A ARG 110.A NE GLU 166.A OE2 no hydrogen 2.493 N/A ARG 110.A NH1 GLU 77.A OE1 no hydrogen 2.564 N/A ARG 110.A NH2 GLU 166.A OE1 no hydrogen 2.586 N/A ARG 110.A NH2 GLU 166.A OE2 no hydrogen 3.184 N/A ASN 113.A N GLU 166.A O no hydrogen 2.632 N/A GLY 114.A N GLN 125.A O no hydrogen 3.081 N/A SER 116.A OG GLU 168.A OE1 no hydrogen 2.809 N/A GLY 118.A N GLU 297.A OE1 no hydrogen 2.998 N/A HIS 123.A N ALA 120.A O no hydrogen 3.103 N/A SER 124.A OG ALA 120.A O no hydrogen 2.778 N/A GLN 125.A N ASN 81.A OD1 no hydrogen 3.086 N/A CYS 126.A SG ASN 113.A OD1 no hydrogen 3.430 N/A TYR 131.A N PHE 127.A O no hydrogen 3.170 N/A TYR 131.A OH SER 83.A OG no hydrogen 2.706 N/A GLY 132.A N ALA 128.A O no hydrogen 2.989 N/A CYS 134.A N TYR 131.A O no hydrogen 3.042 N/A CYS 134.A SG TRP 130.A O no hydrogen 3.675 N/A LYS 138.A N PRO 161.A O no hydrogen 3.155 N/A LYS 138.A NZ ASP 158.A OD2 no hydrogen 2.566 N/A VAL 139.A N ARG 235.A O no hydrogen 2.940 N/A VAL 140.A N VAL 163.A O no hydrogen 2.956 N/A SER 141.A N ARG 232.A O no hydrogen 2.836 N/A SER 141.A OG HIS 206.A ND1 no hydrogen 2.931 N/A TRP 143.A N ASP 147.A OD2 no hydrogen 3.083 N/A ASN 144.A N ASP 147.A OD2 no hydrogen 3.393 N/A SER 145.A OG VAL 4.A O no hydrogen 2.707 N/A ASP 147.A N ASN 144.A OD1 no hydrogen 3.151 N/A ALA 148.A N ASN 144.A O no hydrogen 2.964 N/A LYS 149.A N SER 145.A O no hydrogen 3.049 N/A LYS 149.A NZ GLN 12.A OE1 no hydrogen 3.568 N/A LYS 149.A NZ GLU 15.A OE2 no hydrogen 3.348 N/A LYS 149.A NZ ALA 180.A O no hydrogen 2.651 N/A LYS 149.A NZ SER 182.A O no hydrogen 3.125 N/A GLY 150.A N GLU 146.A O no hydrogen 2.991 N/A LEU 151.A N ASP 147.A O no hydrogen 2.801 N/A ILE 152.A N ALA 148.A O no hydrogen 3.057 N/A LYS 153.A N LYS 149.A O no hydrogen 3.166 N/A LYS 153.A NZ GLU 15.A OE1 no hydrogen 2.725 N/A LYS 153.A NZ GLU 16.A OE2 no hydrogen 2.854 N/A LYS 153.A NZ LYS 183.A O no hydrogen 2.852 N/A SER 154.A N GLY 150.A O no hydrogen 3.118 N/A SER 154.A OG GLY 150.A O no hydrogen 3.258 N/A SER 154.A OG ILE 187.A O no hydrogen 2.533 N/A ALA 155.A N LEU 151.A O no hydrogen 2.882 N/A ILE 156.A N ILE 152.A O no hydrogen 2.978 N/A ARG 157.A N LYS 153.A O no hydrogen 3.093 N/A ARG 157.A NH1 GLU 16.A OE2 no hydrogen 2.934 N/A ASP 158.A N SER 154.A O no hydrogen 2.947 N/A ASP 158.A N ALA 155.A O no hydrogen 3.172 N/A ASN 160.A N ASP 158.A OD1 no hydrogen 2.742 N/A ASN 160.A ND2 ASP 158.A OD1 no hydrogen 3.001 N/A VAL 162.A N ILE 107.A O no hydrogen 3.026 N/A VAL 163.A N LYS 138.A O no hydrogen 2.847 N/A VAL 164.A N PHE 109.A O no hydrogen 2.770 N/A LEU 165.A N VAL 140.A O no hydrogen 2.918 N/A GLU 166.A N GLY 111.A O no hydrogen 3.018 N/A TYR 170.A OH GLU 166.A OE1 no hydrogen 2.500 N/A PHE 174.A N VAL 4.A O no hydrogen 3.047 N/A PHE 176.A N LEU 2.A O no hydrogen 2.721 N/A GLN 181.A N PRO 177.A O no hydrogen 3.266 N/A GLN 181.A N PRO 178.A O no hydrogen 2.972 N/A GLN 181.A NE2 PHE 176.A O no hydrogen 2.978 N/A SER 182.A N GLU 179.A O no hydrogen 3.112 N/A ASP 184.A N SER 182.A OG no hydrogen 2.873 N/A PHE 185.A N SER 182.A O no hydrogen 3.401 N/A ILE 187.A N GLY 150.A O no hydrogen 3.418 N/A GLY 190.A N THR 233.A OG1 no hydrogen 2.697 N/A LYS 191.A NZ GLY 190.A O no hydrogen 3.481 N/A ALA 192.A N ASP 237.A OD2 no hydrogen 2.917 N/A LYS 193.A N ASN 231.A O no hydrogen 2.835 N/A GLU 195.A N VAL 229.A O no hydrogen 2.742 N/A ARG 196.A N VAL 229.A O no hydrogen 3.353 N/A ARG 196.A NH1 GLU 226.A OE1 no hydrogen 3.204 N/A ARG 196.A NH1 CYS 227.A O no hydrogen 2.924 N/A ARG 196.A NH2 GLU 226.A OE1 no hydrogen 2.792 N/A GLY 198.A N GLU 228.A OE1 no hydrogen 2.900 N/A THR 199.A N GLU 226.A O no hydrogen 3.316 N/A HIS 200.A N GLU 226.A O no hydrogen 3.012 N/A THR 202.A N HIS 248.A O no hydrogen 2.866 N/A THR 202.A OG1 SER 243.A OG no hydrogen 2.616 N/A THR 202.A OG1 THR 246.A OG1 no hydrogen 2.801 N/A VAL 203.A N GLU 228.A O no hydrogen 2.936 N/A VAL 204.A N VAL 250.A O no hydrogen 2.929 N/A SER 205.A N ILE 230.A O no hydrogen 3.071 N/A SER 205.A OG HIS 206.A O no hydrogen 3.556 N/A SER 205.A OG VAL 252.A O no hydrogen 2.685 N/A HIS 206.A ND1 SER 141.A OG no hydrogen 2.931 N/A VAL 210.A N SER 207.A O no hydrogen 2.956 N/A GLY 211.A N ARG 208.A O no hydrogen 2.938 N/A CYS 213.A N PRO 209.A O no hydrogen 2.917 N/A CYS 213.A SG PRO 209.A O no hydrogen 3.410 N/A LEU 214.A N VAL 210.A O no hydrogen 3.149 N/A GLU 215.A N GLY 211.A O no hydrogen 3.126 N/A ALA 216.A N HIS 212.A O no hydrogen 2.824 N/A ALA 217.A N CYS 213.A O no hydrogen 2.766 N/A ALA 218.A N LEU 214.A O no hydrogen 3.072 N/A VAL 219.A N GLU 215.A O no hydrogen 3.322 N/A LEU 220.A N ALA 216.A O no hydrogen 3.002 N/A SER 221.A N ALA 217.A O no hydrogen 2.933 N/A SER 221.A OG ALA 217.A O no hydrogen 3.203 N/A SER 221.A OG ALA 218.A O no hydrogen 2.650 N/A GLU 223.A N LEU 220.A O no hydrogen 2.865 N/A GLY 224.A N SER 221.A O no hydrogen 2.868 N/A VAL 225.A N LEU 220.A O no hydrogen 3.127 N/A GLU 226.A N HIS 200.A ND1 no hydrogen 2.946 N/A GLU 228.A N ILE 201.A O no hydrogen 2.790 N/A VAL 229.A N ARG 196.A O no hydrogen 2.970 N/A ILE 230.A N VAL 203.A O no hydrogen 2.849 N/A ASN 231.A N LYS 193.A O no hydrogen 2.761 N/A ARG 232.A NE ASP 147.A OD1 no hydrogen 2.953 N/A ARG 232.A NH2 ASP 147.A OD1 no hydrogen 2.740 N/A ILE 234.A N VAL 139.A O no hydrogen 2.698 N/A ARG 235.A N VAL 139.A O no hydrogen 3.206 N/A ARG 235.A NH1 GLY 132.A O no hydrogen 2.961 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.430 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 2.502 N/A ALA 242.A N GLU 238.A O no hydrogen 3.091 N/A SER 243.A N THR 239.A O no hydrogen 3.250 N/A SER 243.A OG THR 202.A OG1 no hydrogen 2.616 N/A SER 243.A OG GLU 228.A OE2 no hydrogen 2.702 N/A VAL 244.A N ILE 240.A O no hydrogen 3.024 N/A LYS 245.A NZ GLY 198.A O no hydrogen 2.910 N/A LYS 245.A NZ GLU 228.A OE1 no hydrogen 2.756 N/A LYS 245.A NZ GLU 228.A OE2 no hydrogen 3.326 N/A THR 246.A N SER 243.A O no hydrogen 2.969 N/A THR 246.A OG1 THR 202.A OG1 no hydrogen 2.801 N/A THR 246.A OG1 SER 243.A O no hydrogen 3.192 N/A THR 246.A OG1 HIS 248.A O no hydrogen 3.160 N/A ASN 247.A N VAL 244.A O no hydrogen 2.624 N/A HIS 248.A N THR 246.A OG1 no hydrogen 3.377 N/A HIS 248.A ND1 THR 246.A O no hydrogen 2.798 N/A VAL 250.A N THR 202.A O no hydrogen 2.953 N/A THR 251.A N VAL 282.A O no hydrogen 3.075 N/A THR 251.A OG1 VAL 282.A O no hydrogen 3.550 N/A VAL 252.A N VAL 204.A O no hydrogen 2.776 N/A GLU 253.A N VAL 284.A O no hydrogen 2.961 N/A TRP 256.A NE1 VAL 289.A O no hydrogen 3.196 N/A GLN 258.A NE2 ASP 288.A OD2 no hydrogen 2.797 N/A GLY 260.A N PRO 257.A O no hydrogen 3.303 N/A VAL 261.A N GLU 253.A OE1 no hydrogen 3.056 N/A GLY 262.A N GLU 253.A OE2 no hydrogen 2.768 N/A ILE 265.A N VAL 261.A O no hydrogen 3.190 N/A CYS 266.A N GLY 262.A O no hydrogen 3.032 N/A CYS 266.A SG GLY 262.A O no hydrogen 3.156 N/A ALA 267.A N ALA 263.A O no hydrogen 3.004 N/A ARG 268.A N GLU 264.A O no hydrogen 2.947 N/A ARG 268.A NH1 GLU 264.A OE2 no hydrogen 3.477 N/A ILE 269.A N ILE 265.A O no hydrogen 2.945 N/A GLY 271.A N ILE 269.A O no hydrogen 3.317 N/A PHE 274.A N GLY 271.A O no hydrogen 3.502 N/A PHE 276.A N ALA 273.A O no hydrogen 2.879 N/A LEU 277.A N PHE 274.A O no hydrogen 3.235 N/A ASP 278.A N ASN 247.A O no hydrogen 2.936 N/A VAL 282.A N LEU 249.A O no hydrogen 3.265 N/A VAL 284.A N THR 251.A O no hydrogen 2.842 N/A THR 285.A OG1 GLY 286.A O no hydrogen 2.837 N/A GLY 286.A N GLY 255.A O no hydrogen 2.944 N/A ALA 287.A N SER 300.A O no hydrogen 2.834 N/A LYS 294.A NZ ASP 298.A OD1 no hydrogen 3.111 N/A LYS 294.A NZ ASP 298.A OD2 no hydrogen 3.158 N/A GLU 297.A N ALA 293.A O no hydrogen 2.923 N/A ASP 298.A N LYS 294.A O no hydrogen 2.932 N/A ASN 299.A N LEU 296.A O no hydrogen 3.127 N/A ASN 299.A ND2 ILE 295.A O no hydrogen 3.024 N/A SER 300.A N GLU 297.A O no hydrogen 3.099 N/A SER 300.A OG LEU 296.A O no hydrogen 2.840 N/A GLN 303.A N ASP 306.A OD2 no hydrogen 2.761 N/A GLN 303.A NE2 ASP 298.A O no hydrogen 3.182 N/A ASP 306.A N GLN 303.A O no hydrogen 2.937 N/A ILE 307.A N GLN 303.A O no hydrogen 3.200 N/A ILE 308.A N VAL 304.A O no hydrogen 2.959 N/A PHE 309.A N LYS 305.A O no hydrogen 2.972 N/A ALA 310.A N ASP 306.A O no hydrogen 3.071 N/A ILE 311.A N ILE 307.A O no hydrogen 2.967 N/A LYS 312.A N ILE 308.A O no hydrogen 2.964 N/A LYS 312.A NZ GLU 223.A OE1 no hydrogen 2.975 N/A LYS 312.A NZ GLU 223.A OE2 no hydrogen 3.563 N/A LYS 313.A N PHE 309.A O no hydrogen 3.033 N/A THR 314.A N ALA 310.A O no hydrogen 3.149 N/A THR 314.A OG1 ALA 310.A O no hydrogen 2.744 N/A LEU 315.A N ILE 311.A O no hydrogen 3.115 N/A ASN 316.A N LYS 313.A O no hydrogen 3.269 N/A ILE 317.A N LYS 312.A O no hydrogen 2.905 N/A