Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nij_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 ASN 1.A O no hydrogen 2.694 N/A ILE 3.A N ARG 119.A O no hydrogen 2.712 N/A VAL 5.A N LEU 121.A O no hydrogen 2.726 N/A THR 6.A N LEU 93.A O no hydrogen 2.815 N/A LEU 7.A N GLY 124.A O no hydrogen 2.994 N/A LEU 8.A N ILE 95.A O no hydrogen 2.907 N/A THR 9.A N ILE 126.A O no hydrogen 2.873 N/A THR 9.A OG1 CYS 97.A O no hydrogen 2.797 N/A LEU 19.A N LYS 16.A O no hydrogen 2.307 N/A LEU 20.A N LYS 16.A O no hydrogen 2.840 N/A ARG 21.A N THR 17.A O no hydrogen 3.093 N/A ILE 23.A N LEU 19.A O no hydrogen 3.016 N/A LEU 24.A N LEU 20.A O no hydrogen 2.687 N/A ASN 25.A ND2 ARG 21.A O no hydrogen 3.230 N/A GLU 26.A N HIS 22.A O no hydrogen 3.220 N/A HIS 28.A NE2 ILE 23.A O no hydrogen 3.042 N/A TYR 30.A N HIS 28.A ND1 no hydrogen 2.777 N/A LYS 31.A NZ GLY 29.A O no hydrogen 3.446 N/A ALA 33.A N ARG 92.A O no hydrogen 2.825 N/A VAL 34.A N ILE 64.A O no hydrogen 2.719 N/A ILE 35.A N VAL 94.A O no hydrogen 2.987 N/A GLU 36.A N CYS 66.A O no hydrogen 3.146 N/A ASN 37.A N GLU 96.A OE1 no hydrogen 3.439 N/A SER 43.A OG THR 60.A OG1 no hydrogen 2.891 N/A ASP 45.A N THR 58.A O no hydrogen 2.598 N/A ASP 46.A N THR 58.A O no hydrogen 3.137 N/A GLN 47.A N ASP 46.A OD1 no hydrogen 2.889 N/A GLN 47.A NE2 GLN 55.A OE1 no hydrogen 2.757 N/A LEU 48.A N ILE 56.A O no hydrogen 2.811 N/A GLY 50.A N THR 54.A O no hydrogen 2.874 N/A ARG 52.A N ASP 78.A OD2 no hydrogen 2.995 N/A ARG 52.A NH1 ASP 78.A OD1 no hydrogen 2.960 N/A ARG 52.A NH1 ASP 81.A OD2 no hydrogen 2.769 N/A ALA 53.A N GLY 50.A O no hydrogen 2.984 N/A THR 54.A N ASP 78.A OD2 no hydrogen 3.432 N/A THR 54.A OG1 ASP 78.A OD2 no hydrogen 2.949 N/A ILE 56.A N LEU 48.A O no hydrogen 2.613 N/A LYS 57.A N CYS 65.A O no hydrogen 2.721 N/A THR 58.A N ASP 46.A O no hydrogen 2.922 N/A LEU 59.A N CYS 63.A O no hydrogen 2.997 N/A THR 60.A N SER 43.A O no hydrogen 3.090 N/A THR 60.A OG1 SER 43.A O no hydrogen 3.503 N/A THR 60.A OG1 SER 43.A OG no hydrogen 2.891 N/A THR 60.A OG1 ASP 45.A OD1 no hydrogen 2.980 N/A ASN 61.A ND2 ILE 23.A O no hydrogen 3.141 N/A ASN 61.A ND2 GLU 26.A O no hydrogen 2.781 N/A GLY 62.A N LEU 59.A O no hydrogen 2.951 N/A CYS 63.A N ASN 61.A OD1 no hydrogen 2.957 N/A CYS 63.A SG ILE 23.A O no hydrogen 3.322 N/A CYS 63.A SG HIS 28.A NE2 no hydrogen 3.247 N/A CYS 63.A SG TYR 30.A O no hydrogen 3.494 N/A ILE 64.A N ILE 32.A O no hydrogen 2.734 N/A CYS 65.A N LYS 57.A O no hydrogen 2.760 N/A CYS 65.A SG GLU 36.A OE2 no hydrogen 3.380 N/A CYS 66.A N VAL 34.A O no hydrogen 2.766 N/A ARG 68.A N ASN 37.A O no hydrogen 3.319 N/A SER 69.A N SER 67.A OG no hydrogen 2.956 N/A ASN 70.A ND2 ARG 52.A O no hydrogen 3.295 N/A ASP 74.A N GLU 71.A O no hydrogen 3.153 N/A ALA 75.A N GLU 71.A O no hydrogen 3.275 N/A LEU 76.A N LEU 72.A O no hydrogen 2.846 N/A LEU 77.A N GLU 73.A O no hydrogen 2.869 N/A ASP 78.A N ASP 74.A O no hydrogen 2.767 N/A LEU 79.A N ALA 75.A O no hydrogen 3.015 N/A ASP 81.A N LEU 77.A O no hydrogen 3.074 N/A ASN 82.A N ASP 78.A O no hydrogen 3.132 N/A LEU 83.A N LEU 79.A O no hydrogen 2.946 N/A ASP 84.A N LEU 80.A O no hydrogen 2.799 N/A LYS 85.A N ASP 81.A O no hydrogen 2.939 N/A GLY 86.A N LEU 83.A O no hydrogen 2.969 N/A ILE 88.A N ASN 82.A O no hydrogen 3.228 N/A ASP 91.A N LYS 31.A O no hydrogen 2.419 N/A ARG 92.A N LYS 31.A O no hydrogen 3.014 N/A LEU 93.A N ALA 4.A O no hydrogen 3.045 N/A VAL 94.A N ALA 33.A O no hydrogen 2.906 N/A ILE 95.A N THR 6.A O no hydrogen 2.747 N/A GLU 96.A N ILE 35.A O no hydrogen 2.834 N/A CYS 97.A N LEU 8.A O no hydrogen 2.720 N/A CYS 97.A SG LEU 8.A O no hydrogen 3.356 N/A CYS 97.A SG ILE 95.A O no hydrogen 3.867 N/A GLY 99.A N GLY 10.A O no hydrogen 3.133 N/A ALA 101.A N THR 98.A O no hydrogen 3.366 N/A GLY 104.A N ASP 102.A OD1 no hydrogen 2.899 N/A ILE 107.A N PRO 103.A O no hydrogen 3.090 N/A GLN 108.A N GLY 104.A O no hydrogen 3.055 N/A THR 109.A N PRO 105.A O no hydrogen 3.129 N/A THR 109.A OG1 PRO 105.A O no hydrogen 3.251 N/A PHE 110.A N ILE 107.A O no hydrogen 2.992 N/A PHE 111.A N GLN 108.A O no hydrogen 3.107 N/A SER 112.A N GLN 108.A O no hydrogen 2.734 N/A HIS 113.A N THR 109.A O no hydrogen 3.485 N/A CYS 117.A N HIS 113.A O no hydrogen 3.207 N/A CYS 117.A SG PHE 110.A O no hydrogen 3.849 N/A CYS 117.A SG PHE 111.A O no hydrogen 3.106 N/A GLN 118.A N VAL 115.A O no hydrogen 2.837 N/A ARG 119.A N VAL 115.A O no hydrogen 3.112 N/A ARG 119.A NH1 ASP 84.A OD2 no hydrogen 2.802 N/A ARG 119.A NH2 ASP 84.A OD1 no hydrogen 2.958 N/A ARG 119.A NH2 ASP 84.A OD2 no hydrogen 3.506 N/A TYR 120.A N LEU 116.A O no hydrogen 2.969 N/A TYR 120.A OH LEU 76.A O no hydrogen 3.018 N/A LEU 121.A N ILE 3.A O no hydrogen 2.839 N/A ASP 123.A N VAL 5.A O no hydrogen 2.738 N/A VAL 125.A N ASP 152.A OD2 no hydrogen 2.847 N/A ILE 126.A N LEU 7.A O no hydrogen 2.857 N/A ALA 127.A N ARG 153.A O no hydrogen 3.103 N/A LEU 128.A N THR 9.A O no hydrogen 3.101 N/A VAL 129.A N LEU 155.A O no hydrogen 2.745 N/A ALA 131.A N THR 157.A O no hydrogen 2.976 N/A VAL 132.A N ASP 130.A OD1 no hydrogen 2.682 N/A HIS 133.A N ASP 130.A O no hydrogen 3.022 N/A HIS 133.A N ASP 130.A OD1 no hydrogen 3.171 N/A HIS 133.A ND1 ASP 130.A OD2 no hydrogen 2.540 N/A ALA 134.A N ASP 130.A O no hydrogen 2.717 N/A GLN 137.A N HIS 133.A O no hydrogen 2.908 N/A GLN 137.A NE2 LEU 12.A O no hydrogen 3.653 N/A MET 138.A N ALA 134.A O no hydrogen 2.751 N/A ASN 139.A N ASP 135.A O no hydrogen 3.081 N/A ASN 139.A N GLU 136.A O no hydrogen 2.981 N/A ASN 139.A ND2 ASP 135.A OD2 no hydrogen 3.374 N/A GLN 140.A N GLU 136.A O no hydrogen 3.162 N/A GLN 140.A N GLN 137.A O no hydrogen 2.887 N/A PHE 141.A N GLN 137.A O no hydrogen 3.020 N/A ALA 144.A N PHE 141.A O no hydrogen 2.833 N/A GLN 145.A N THR 142.A O no hydrogen 2.869 N/A GLN 145.A NE2 MET 138.A O no hydrogen 2.795 N/A SER 146.A N THR 142.A O no hydrogen 2.827 N/A SER 146.A OG THR 142.A O no hydrogen 3.333 N/A GLN 147.A N ILE 143.A O no hydrogen 2.992 N/A GLY 149.A N GLN 145.A O no hydrogen 2.800 N/A TYR 150.A N SER 146.A O no hydrogen 2.970 N/A ALA 151.A N VAL 148.A O no hydrogen 3.020 N/A ASP 152.A N VAL 125.A O no hydrogen 2.722 N/A ARG 153.A NH1 LEU 193.A O no hydrogen 2.806 N/A ARG 153.A NH1 PHE 195.A O no hydrogen 3.092 N/A ARG 153.A NH2 PHE 195.A O no hydrogen 3.503 N/A ARG 153.A NH2 ASN 196.A O no hydrogen 3.413 N/A ILE 154.A N PRO 180.A O no hydrogen 2.940 N/A LEU 155.A N ALA 127.A O no hydrogen 2.638 N/A LEU 156.A N TYR 182.A O no hydrogen 3.069 N/A THR 157.A N VAL 129.A O no hydrogen 2.701 N/A THR 157.A OG1 ALA 14.A O no hydrogen 2.824 N/A THR 157.A OG1 VAL 129.A O no hydrogen 3.438 N/A LYS 158.A NZ ASP 130.A OD1 no hydrogen 3.479 N/A LYS 158.A NZ ASP 130.A OD2 no hydrogen 2.899 N/A VAL 161.A N LYS 158.A O no hydrogen 3.244 N/A ALA 162.A N LYS 158.A O no hydrogen 3.333 N/A LYS 167.A NZ GLU 164.A OE1 no hydrogen 2.856 N/A HIS 169.A N ALA 165.A O no hydrogen 2.991 N/A GLU 170.A N GLU 166.A O no hydrogen 3.021 N/A ARG 171.A N LYS 167.A O no hydrogen 2.981 N/A ARG 171.A NE ASN 221.A OD1 no hydrogen 2.720 N/A ARG 171.A NH1 ASP 135.A O no hydrogen 3.123 N/A ARG 171.A NH1 ASP 135.A OD1 no hydrogen 2.809 N/A ARG 171.A NH1 ASN 139.A OD1 no hydrogen 2.967 N/A ARG 171.A NH2 ASN 139.A OD1 no hydrogen 2.675 N/A ARG 171.A NH2 ASN 221.A OD1 no hydrogen 3.409 N/A LEU 172.A N LEU 168.A O no hydrogen 2.822 N/A LEU 172.A N HIS 169.A O no hydrogen 3.193 N/A ALA 173.A N HIS 169.A O no hydrogen 3.315 N/A ARG 174.A N GLU 170.A O no hydrogen 3.385 N/A ILE 175.A N ARG 171.A O no hydrogen 3.006 N/A ASN 176.A N LEU 172.A O no hydrogen 2.825 N/A ASN 176.A ND2 VAL 148.A O no hydrogen 2.823 N/A ASN 176.A ND2 ALA 151.A O no hydrogen 3.033 N/A ALA 177.A N SER 225.A OG no hydrogen 2.910 N/A ARG 178.A N ASN 176.A OD1 no hydrogen 2.805 N/A ARG 178.A NH1 ASP 152.A OD1 no hydrogen 2.700 N/A ARG 178.A NH2 ASP 152.A OD1 no hydrogen 3.212 N/A ARG 178.A NH2 GLU 203.A OE2 no hydrogen 2.619 N/A ALA 179.A N ASN 176.A OD1 no hydrogen 2.855 N/A TYR 182.A N ILE 154.A O no hydrogen 2.842 N/A VAL 184.A N LEU 156.A O no hydrogen 3.258 N/A GLY 192.A N ASP 190.A OD2 no hydrogen 3.249 N/A LEU 193.A N ASP 190.A O no hydrogen 2.648 N/A LEU 194.A N LEU 191.A O no hydrogen 3.134 N/A PHE 195.A N GLY 192.A O no hydrogen 2.722 N/A THR 197.A N ASP 123.A OD1 no hydrogen 2.964 N/A THR 197.A N ASP 123.A OD2 no hydrogen 2.706 N/A THR 197.A OG1 ASP 123.A O no hydrogen 2.961 N/A THR 197.A OG1 ASP 123.A OD2 no hydrogen 3.425 N/A ASN 198.A N ASP 123.A OD1 no hydrogen 3.174 N/A GLY 199.A N ASP 123.A O no hydrogen 3.004 N/A GLY 199.A N THR 197.A OG1 no hydrogen 3.210 N/A MET 201.A N ASN 198.A O no hydrogen 3.316 N/A SER 208.A N ALA 177.A O no hydrogen 2.691 N/A SER 208.A OG ARG 178.A O no hydrogen 2.506 N/A THR 209.A N ALA 177.A O no hydrogen 3.089 N/A LYS 210.A NZ GLU 229.A OE2 no hydrogen 2.883 N/A ARG 212.A NE HIS 214.A NE2 no hydrogen 3.587 N/A HIS 214.A ND1 HIS 214.A O no hydrogen 2.993 N/A LYS 219.A N ILE 216.A O no hydrogen 3.196 N/A GLN 220.A N ALA 217.A O no hydrogen 3.210 N/A ASN 221.A N ASP 218.A O no hydrogen 3.146 N/A ASP 222.A N GLN 145.A OE1 no hydrogen 3.275 N/A ILE 223.A N GLN 145.A OE1 no hydrogen 3.212 N/A SER 224.A N GLY 300.A O no hydrogen 2.892 N/A SER 225.A N ARG 174.A O no hydrogen 3.187 N/A SER 225.A OG ILE 175.A O no hydrogen 2.705 N/A ILE 226.A N PHE 298.A O no hydrogen 2.864 N/A VAL 228.A N MET 296.A O no hydrogen 2.746 N/A LEU 230.A N SER 294.A O no hydrogen 2.840 N/A TYR 232.A OH PHE 312.A O no hydrogen 2.461 N/A VAL 234.A N TRP 262.A O no hydrogen 2.941 N/A GLU 238.A N ASP 235.A OD2 no hydrogen 2.282 N/A VAL 239.A N ASP 235.A O no hydrogen 3.152 N/A SER 240.A N ILE 236.A O no hydrogen 2.943 N/A SER 240.A OG ILE 236.A O no hydrogen 2.586 N/A ARG 241.A N SER 237.A O no hydrogen 2.835 N/A VAL 242.A N GLU 238.A O no hydrogen 2.918 N/A MET 243.A N VAL 239.A O no hydrogen 2.901 N/A GLU 244.A N SER 240.A O no hydrogen 3.107 N/A ASN 245.A N ARG 241.A O no hydrogen 3.134 N/A LEU 246.A N VAL 242.A O no hydrogen 2.855 N/A LEU 247.A N MET 243.A O no hydrogen 2.660 N/A LEU 248.A N GLU 244.A O no hydrogen 2.882 N/A GLU 249.A N ASN 245.A O no hydrogen 2.886 N/A SER 250.A N LEU 246.A O no hydrogen 3.234 N/A LYS 253.A N SER 250.A O no hydrogen 3.025 N/A LYS 253.A NZ GLN 302.A O no hydrogen 3.077 N/A LEU 254.A N SER 250.A O no hydrogen 2.991 N/A LEU 255.A N ILE 299.A O no hydrogen 2.792 N/A ARG 256.A N ILE 299.A O no hydrogen 3.449 N/A ARG 256.A NH1 TYR 150.A O no hydrogen 2.817 N/A ARG 256.A NH1 ASP 152.A OD2 no hydrogen 2.720 N/A ARG 256.A NH2 GLY 199.A O no hydrogen 2.783 N/A TYR 257.A N GLY 274.A O no hydrogen 3.052 N/A TYR 257.A OH GLN 276.A O no hydrogen 2.333 N/A LYS 258.A N VAL 297.A O no hydrogen 2.955 N/A LYS 258.A NZ GLY 199.A O no hydrogen 2.729 N/A LYS 258.A NZ MET 201.A O no hydrogen 2.840 N/A LYS 258.A NZ GLU 203.A OE2 no hydrogen 2.750 N/A GLY 259.A N PHE 272.A O no hydrogen 2.783 N/A MET 260.A N THR 295.A O no hydrogen 2.827 N/A LEU 261.A N LEU 270.A O no hydrogen 2.660 N/A TRP 262.A N SER 294.A OG no hydrogen 2.479 N/A ASP 264.A N VAL 234.A O no hydrogen 2.327 N/A GLU 266.A N ILE 263.A O no hydrogen 3.271 N/A ARG 269.A N ARG 285.A O no hydrogen 3.382 N/A ARG 269.A NE ARG 285.A O no hydrogen 2.606 N/A ARG 269.A NH1 GLU 290.A OE1 no hydrogen 3.205 N/A ARG 269.A NH2 PRO 286.A O no hydrogen 3.046 N/A ARG 269.A NH2 GLU 290.A OE1 no hydrogen 2.934 N/A LEU 270.A N LEU 261.A O no hydrogen 2.992 N/A LEU 271.A N ASP 282.A O no hydrogen 2.898 N/A PHE 272.A N GLY 259.A O no hydrogen 2.879 N/A GLN 273.A N SER 280.A O no hydrogen 3.144 N/A GLY 274.A N TYR 257.A O no hydrogen 2.826 N/A VAL 275.A N LEU 278.A O no hydrogen 2.820 N/A GLN 276.A N LEU 255.A O no hydrogen 3.029 N/A ARG 277.A NH1 ASP 252.A OD1 no hydrogen 3.056 N/A ARG 277.A NH2 ASP 252.A OD1 no hydrogen 3.079 N/A ARG 277.A NH2 ASP 252.A OD2 no hydrogen 3.511 N/A LEU 278.A N VAL 275.A O no hydrogen 2.992 N/A SER 280.A N GLN 273.A O no hydrogen 2.835 N/A ASP 282.A N LEU 271.A O no hydrogen 3.083 N/A ASP 284.A N ARG 269.A O no hydrogen 2.777 N/A ARG 285.A NE GLU 204.A OE1 no hydrogen 2.721 N/A ARG 285.A NH1 GLU 290.A OE2 no hydrogen 3.083 N/A ARG 285.A NH2 GLU 204.A OE2 no hydrogen 2.939 N/A ARG 285.A NH2 GLU 290.A OE2 no hydrogen 2.483 N/A TRP 287.A N PRO 267.A O no hydrogen 2.898 N/A GLU 290.A N TRP 287.A O no hydrogen 2.777 N/A SER 294.A N LEU 230.A O no hydrogen 2.857 N/A SER 294.A OG MET 260.A O no hydrogen 3.472 N/A THR 295.A N MET 260.A O no hydrogen 2.993 N/A THR 295.A OG1 GLU 229.A OE1 no hydrogen 2.910 N/A MET 296.A N VAL 228.A O no hydrogen 2.868 N/A VAL 297.A N LYS 258.A O no hydrogen 2.946 N/A PHE 298.A N ILE 226.A O no hydrogen 2.963 N/A ILE 299.A N ARG 256.A O no hydrogen 2.691 N/A GLY 300.A N SER 224.A O no hydrogen 3.016 N/A ILE 301.A N LYS 253.A O no hydrogen 2.981 N/A GLN 302.A N ASP 222.A O no hydrogen 3.232 N/A ILE 308.A N PRO 304.A O no hydrogen 3.025 N/A ARG 309.A N GLU 305.A O no hydrogen 2.988 N/A ARG 309.A NE GLU 305.A OE2 no hydrogen 2.667 N/A ARG 309.A NH1 VAL 227.A O no hydrogen 3.077 N/A ARG 309.A NH2 VAL 227.A O no hydrogen 3.408 N/A ARG 309.A NH2 GLU 305.A OE2 no hydrogen 2.740 N/A ALA 310.A N GLU 306.A O no hydrogen 2.967 N/A ALA 311.A N GLU 307.A O no hydrogen 2.926 N/A PHE 312.A N ILE 308.A O no hydrogen 3.210 N/A ALA 313.A N ARG 309.A O no hydrogen 2.663 N/A GLY 314.A N ALA 310.A O no hydrogen 3.224 N/A LEU 315.A N PHE 312.A O no hydrogen 3.093 N/A LYS 317.A NZ LYS 317.A O no hydrogen 3.303 N/A