Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 SER 1.A O no hydrogen 2.730 N/A GLY 4.A N LYS 24.A O no hydrogen 2.855 N/A LYS 5.A N GLU 100.A OE1 no hydrogen 2.799 N/A LEU 6.A N GLU 22.A O no hydrogen 2.857 N/A ILE 7.A N TRP 98.A O no hydrogen 3.032 N/A GLN 8.A N GLN 20.A O no hydrogen 3.034 N/A GLN 8.A NE2 GLU 22.A OE1 no hydrogen 2.741 N/A PHE 9.A N ASN 63.A O no hydrogen 3.123 N/A HIS 10.A NE2 GLU 22.A OE2 no hydrogen 2.642 N/A GLY 13.A N ILE 51.A O no hydrogen 3.079 N/A ASN 14.A ND2 ASP 17.A OD2 no hydrogen 3.383 N/A ASP 17.A N ASN 14.A O no hydrogen 2.849 N/A VAL 18.A N ASN 14.A O no hydrogen 3.206 N/A VAL 18.A N PRO 15.A O no hydrogen 3.252 N/A LEU 19.A N PRO 15.A O no hydrogen 3.120 N/A GLN 20.A N GLN 8.A O no hydrogen 2.734 N/A GLN 20.A NE2 GLU 22.A OE2 no hydrogen 2.550 N/A GLU 22.A N LEU 6.A O no hydrogen 2.893 N/A LYS 24.A N GLY 4.A O no hydrogen 2.886 N/A LYS 24.A NZ GLN 99.A OE1 no hydrogen 2.675 N/A ASN 25.A ND2 SER 1.A OG no hydrogen 2.777 N/A ILE 26.A N LEU 2.A O no hydrogen 2.971 N/A LYS 30.A N GLU 33.A OE1 no hydrogen 2.748 N/A GLU 33.A N LYS 30.A O no hydrogen 3.167 N/A VAL 34.A N THR 104.A O no hydrogen 2.880 N/A PHE 35.A N ASN 75.A O no hydrogen 2.887 N/A VAL 36.A N VAL 102.A O no hydrogen 2.858 N/A ARG 37.A N ILE 72.A O no hydrogen 2.845 N/A ARG 37.A NE GLU 74.A OE2.A no hydrogen 3.422 N/A ARG 37.A NE GLU 74.A OE2.B no hydrogen 2.420 N/A MET 38.A N GLU 100.A O no hydrogen 2.969 N/A LEU 39.A N VAL 70.A O no hydrogen 2.881 N/A VAL 40.A N VAL 70.A O no hydrogen 3.304 N/A ARG 41.A N LEU 328.A O no hydrogen 2.933 N/A ARG 41.A NE THR 97.A O no hydrogen 3.016 N/A ARG 41.A NH1 LEU 328.A O no hydrogen 2.992 N/A ARG 41.A NH1 SER 330.A OG no hydrogen 2.933 N/A ARG 41.A NH2 GLN 99.A O no hydrogen 2.793 N/A ARG 41.A NH2 SER 330.A OG no hydrogen 2.998 N/A ILE 43.A N VAL 326.A O no hydrogen 2.926 N/A ASN 44.A N ASP 47.A OD2 no hydrogen 2.797 N/A ASN 44.A ND2 GLU 68.A OE1 no hydrogen 2.851 N/A ASP 47.A N ASN 44.A O no hydrogen 2.778 N/A LEU 48.A N PRO 45.A O no hydrogen 3.099 N/A ILE 51.A N LEU 48.A O no hydrogen 2.980 N/A THR 52.A N LEU 48.A O no hydrogen 3.407 N/A THR 52.A N ILE 49.A O no hydrogen 3.111 N/A THR 52.A OG1 ILE 49.A O no hydrogen 2.574 N/A GLY 53.A N PRO 50.A O no hydrogen 3.264 N/A ALA 56.A N GLY 53.A O no hydrogen 3.029 N/A ARG 58.A N TYR 55.A O no hydrogen 3.072 N/A ILE 59.A N TYR 55.A O no hydrogen 3.090 N/A ASN 63.A N PHE 9.A O no hydrogen 3.053 N/A TYR 67.A N ASP 47.A OD1 no hydrogen 2.987 N/A VAL 70.A N VAL 40.A O no hydrogen 2.975 N/A GLY 71.A N VAL 89.A O no hydrogen 2.985 N/A ILE 72.A N ARG 37.A O no hydrogen 2.901 N/A VAL 73.A N LYS 87.A O no hydrogen 2.996 N/A GLU 74.A N PHE 35.A O no hydrogen 2.834 N/A ASN 75.A N PHE 35.A O no hydrogen 3.392 N/A VAL 76.A N ASN 75.A OD1 no hydrogen 2.935 N/A GLY 77.A N GLU 33.A O no hydrogen 2.821 N/A PHE 79.A N ASP 31.A O no hydrogen 2.821 N/A VAL 80.A N GLY 77.A O no hydrogen 3.045 N/A ARG 82.A NH1 ASN 75.A OD1 no hydrogen 3.157 N/A ARG 82.A NH2 ASN 75.A OD1 no hydrogen 3.404 N/A LEU 84.A N SER 81.A O no hydrogen 3.309 N/A ILE 85.A N ARG 82.A O no hydrogen 3.079 N/A GLY 86.A N VAL 73.A O no hydrogen 2.742 N/A LYS 87.A N LEU 84.A O no hydrogen 3.038 N/A LYS 87.A NZ GLU 83.A O no hydrogen 3.160 N/A ARG 88.A NH1 ILE 116.A O no hydrogen 2.858 N/A ARG 88.A NH2 ILE 116.A O no hydrogen 2.813 N/A ARG 88.A NH2 ASP 118.A OD1 no hydrogen 2.984 N/A VAL 89.A N GLY 71.A O no hydrogen 2.911 N/A LEU 90.A N VAL 110.A O no hydrogen 2.801 N/A ARG 93.A NH2 ASN 271.A O no hydrogen 3.213 N/A GLU 95.A N LYS 103.A O no hydrogen 3.034 N/A THR 97.A N GLY 66.A O no hydrogen 2.983 N/A THR 97.A OG1 GLU 68.A O no hydrogen 2.836 N/A TRP 98.A N PRO 65.A O no hydrogen 2.921 N/A GLN 99.A N THR 97.A O no hydrogen 2.765 N/A GLN 99.A NE2 GLY 96.A O no hydrogen 2.892 N/A GLU 100.A N LYS 5.A O no hydrogen 2.842 N/A VAL 102.A N VAL 36.A O no hydrogen 2.853 N/A LYS 103.A N GLU 95.A OE1 no hydrogen 2.864 N/A LYS 103.A NZ GLU 95.A OE1 no hydrogen 3.515 N/A LYS 103.A NZ GLU 95.A OE2 no hydrogen 2.983 N/A THR 104.A N VAL 34.A O no hydrogen 3.277 N/A THR 104.A OG1 LEU 92.A O no hydrogen 2.620 N/A ALA 106.A N ASN 32.A O no hydrogen 2.804 N/A ASP 107.A N SER 105.A OG no hydrogen 3.134 N/A PHE 108.A N SER 105.A O no hydrogen 2.997 N/A VAL 109.A N ALA 106.A O no hydrogen 3.324 N/A VAL 110.A N LEU 90.A O no hydrogen 3.031 N/A ILE 112.A N ARG 88.A O no hydrogen 2.971 N/A SER 115.A OG.B GLU 291.A OE2 no hydrogen 3.112 N/A ILE 116.A N PRO 113.A O no hydrogen 3.120 N/A THR 120.A N ASP 117.A OD1 no hydrogen 2.894 N/A THR 120.A OG1 ASP 117.A OD1 no hydrogen 3.437 N/A THR 120.A OG1 ASP 117.A OD2 no hydrogen 2.688 N/A ALA 121.A N ASP 117.A O no hydrogen 2.924 N/A ALA 122.A N ASP 118.A O no hydrogen 2.835 N/A GLN 123.A N THR 120.A O no hydrogen 3.019 N/A GLN 123.A NE2 PHE 119.A O no hydrogen 3.051 N/A GLN 123.A NE2 MET 298.A O no hydrogen 3.297 N/A MET 124.A N ALA 121.A O no hydrogen 3.103 N/A TYR 125.A N GLU 68.A OE2 no hydrogen 2.895 N/A LEU 129.A N TYR 125.A O no hydrogen 2.946 N/A THR 130.A N ILE 126.A O no hydrogen 3.216 N/A THR 130.A OG1 ILE 126.A O no hydrogen 2.806 N/A ALA 131.A N ASN 127.A O no hydrogen 2.899 N/A TRP 132.A N PRO 128.A O no hydrogen 2.830 N/A VAL 133.A N LEU 129.A O no hydrogen 2.914 N/A THR 134.A N THR 130.A O no hydrogen 3.014 N/A THR 134.A OG1 THR 130.A O no hydrogen 2.691 N/A THR 134.A OG1 ALA 131.A O no hydrogen 3.171 N/A CYS 135.A N ALA 131.A O no hydrogen 3.112 N/A CYS 135.A SG ALA 131.A O no hydrogen 3.382 N/A THR 136.A N TRP 132.A O no hydrogen 2.883 N/A THR 136.A OG1 TRP 132.A O no hydrogen 2.704 N/A GLU 137.A N VAL 133.A O no hydrogen 2.769 N/A THR 138.A N VAL 133.A O no hydrogen 3.080 N/A THR 138.A OG1 VAL 133.A O no hydrogen 3.447 N/A LEU 139.A N THR 134.A O no hydrogen 2.788 N/A LEU 141.A N CYS 135.A O no hydrogen 2.936 N/A GLN 142.A N ASP 145.A OD2 no hydrogen 2.703 N/A GLN 142.A NE2 ASN 140.A O no hydrogen 2.999 N/A ASN 144.A N ASN 168.A O no hydrogen 2.853 N/A ASP 145.A N GLN 142.A O no hydrogen 2.974 N/A VAL 146.A N ASP 214.A OD2 no hydrogen 2.753 N/A LEU 147.A N ARG 170.A O no hydrogen 2.858 N/A LEU 148.A N ALA 215.A O no hydrogen 2.860 N/A VAL 149.A N ILE 172.A O no hydrogen 3.243 N/A ASN 150.A N ILE 217.A O no hydrogen 3.251 N/A ASN 150.A ND2 ASP 218.A OD1 no hydrogen 2.840 N/A CYS 152.A N VAL 174.A O no hydrogen 3.111 N/A CYS 152.A SG GLY 157.A O no hydrogen 3.705 N/A SER 154.A N ALA 151.A O no hydrogen 3.148 N/A SER 154.A OG ALA 151.A O no hydrogen 2.809 N/A GLY 157.A N SER 154.A OG no hydrogen 3.060 N/A HIS 158.A N SER 154.A O no hydrogen 3.166 N/A HIS 158.A ND1 SER 154.A O no hydrogen 2.874 N/A LEU 159.A N ALA 155.A O no hydrogen 3.307 N/A PHE 160.A N ILE 156.A O no hydrogen 2.923 N/A ALA 161.A N GLY 157.A O no hydrogen 3.175 N/A GLN 162.A N HIS 158.A O no hydrogen 3.382 N/A GLN 162.A NE2 HIS 158.A O no hydrogen 3.162 N/A GLN 162.A NE2 ARG 296.A O no hydrogen 2.986 N/A LEU 163.A N LEU 159.A O no hydrogen 2.795 N/A SER 164.A N PHE 160.A O no hydrogen 2.916 N/A SER 164.A OG ALA 161.A O no hydrogen 2.715 N/A SER 164.A OG GLY 188.A O no hydrogen 3.204 N/A GLN 165.A N GLN 162.A O no hydrogen 3.047 N/A GLN 165.A NE2 GLY 188.A O no hydrogen 2.733 N/A ILE 166.A N GLN 162.A O no hydrogen 3.073 N/A LEU 167.A N LEU 163.A O no hydrogen 2.724 N/A PHE 169.A N SER 164.A O no hydrogen 2.984 N/A ARG 170.A N ASP 145.A O no hydrogen 2.762 N/A ARG 170.A NH1 LEU 207.A O no hydrogen 2.986 N/A ILE 172.A N LEU 147.A O no hydrogen 2.807 N/A ALA 173.A N TYR 191.A O no hydrogen 2.922 N/A VAL 174.A N VAL 149.A O no hydrogen 2.860 N/A THR 175.A N ILE 193.A O no hydrogen 2.826 N/A THR 175.A OG1 ASN 177.A O no hydrogen 2.782 N/A THR 175.A OG1 ILE 193.A O no hydrogen 3.468 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.939 N/A THR 181.A N ASN 178.A O no hydrogen 3.245 N/A THR 181.A OG1 ASN 178.A O no hydrogen 3.434 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.877 N/A LEU 184.A N HIS 180.A O no hydrogen 2.834 N/A LEU 185.A N THR 181.A O no hydrogen 2.923 N/A ARG 186.A N GLU 182.A O no hydrogen 2.963 N/A ARG 186.A NE GLU 182.A OE2 no hydrogen 3.071 N/A LEU 187.A N GLU 183.A O no hydrogen 2.885 N/A GLY 188.A N LEU 185.A O no hydrogen 2.991 N/A ALA 189.A N LEU 184.A O no hydrogen 2.978 N/A ALA 190.A N LEU 171.A O no hydrogen 2.936 N/A ILE 193.A N ALA 173.A O no hydrogen 2.606 N/A THR 195.A N THR 175.A O no hydrogen 2.903 N/A THR 195.A OG1 THR 175.A O no hydrogen 3.078 N/A SER 196.A N ASP 194.A OD1 no hydrogen 3.001 N/A SER 196.A OG ASP 194.A OD1 no hydrogen 2.644 N/A SER 196.A OG ASP 194.A OD2 no hydrogen 3.529 N/A THR 197.A N ASP 194.A O no hydrogen 2.956 N/A ALA 198.A N ASP 194.A O no hydrogen 2.737 N/A TYR 201.A N GLU 227.A OE1 no hydrogen 2.841 N/A THR 203.A N PRO 199.A O no hydrogen 3.261 N/A THR 203.A OG1 PRO 199.A O no hydrogen 2.755 N/A VAL 204.A N LEU 200.A O no hydrogen 3.110 N/A MET 205.A N TYR 201.A O no hydrogen 3.012 N/A GLU 206.A N GLU 202.A O no hydrogen 2.928 N/A LEU 207.A N THR 203.A O no hydrogen 2.831 N/A THR 208.A N VAL 204.A O no hydrogen 2.816 N/A THR 208.A OG1 VAL 204.A O no hydrogen 2.694 N/A ASN 209.A N GLU 206.A O no hydrogen 3.251 N/A GLY 210.A N MET 205.A O no hydrogen 2.861 N/A ILE 211.A N THR 208.A O no hydrogen 3.163 N/A GLY 212.A N THR 208.A OG1 no hydrogen 2.939 N/A ALA 213.A N SER 231.A O no hydrogen 2.947 N/A ASP 214.A N VAL 146.A O no hydrogen 2.884 N/A ALA 215.A N VAL 146.A O no hydrogen 3.125 N/A ALA 216.A N HIS 237.A O no hydrogen 2.950 N/A ILE 217.A N LEU 148.A O no hydrogen 2.728 N/A ASP 218.A N LEU 239.A O no hydrogen 2.864 N/A SER 219.A N ASN 150.A OD1 no hydrogen 2.857 N/A ILE 220.A N ASP 218.A OD1 no hydrogen 2.848 N/A GLY 221.A N ASP 218.A OD1 no hydrogen 2.893 N/A GLY 221.A N ASP 218.A OD2 no hydrogen 3.097 N/A GLY 222.A N ILE 247.A O no hydrogen 2.748 N/A GLY 225.A N GLY 221.A O no hydrogen 2.903 N/A ASN 226.A N GLY 222.A O no hydrogen 3.047 N/A GLU 227.A N PRO 223.A O no hydrogen 2.940 N/A LEU 228.A N ASP 224.A O no hydrogen 3.014 N/A ALA 229.A N GLY 225.A O no hydrogen 2.908 N/A PHE 230.A N ASN 226.A O no hydrogen 2.971 N/A SER 231.A N LEU 228.A O no hydrogen 3.185 N/A SER 231.A OG GLU 227.A O no hydrogen 2.966 N/A LEU 232.A N ALA 229.A O no hydrogen 3.074 N/A ARG 233.A N ALA 213.A O no hydrogen 2.840 N/A ARG 233.A NE ASP 214.A OD1 no hydrogen 2.691 N/A ARG 233.A NH1 PRO 234.A O no hydrogen 3.332 N/A ASN 235.A N LYS 259.A O no hydrogen 2.753 N/A GLY 236.A N ARG 233.A O no hydrogen 2.914 N/A HIS 237.A N ASP 214.A O no hydrogen 3.092 N/A HIS 237.A NE2 ASN 263.A OD1 no hydrogen 2.891 N/A PHE 238.A N HIS 261.A O no hydrogen 2.723 N/A LEU 239.A N ALA 216.A O no hydrogen 2.829 N/A THR 240.A N ASN 263.A O no hydrogen 2.927 N/A ILE 241.A N ASP 218.A O no hydrogen 2.744 N/A LEU 244.A N SER 219.A O no hydrogen 2.959 N/A SER 245.A N ILE 220.A O no hydrogen 2.905 N/A SER 245.A OG ILE 220.A O no hydrogen 2.625 N/A GLY 246.A N LEU 243.A O no hydrogen 2.875 N/A ILE 247.A N SER 245.A OG no hydrogen 3.201 N/A ASN 250.A N ASN 226.A OD1 no hydrogen 2.787 N/A TRP 251.A N VAL 249.A O no hydrogen 2.933 N/A GLU 253.A N ASN 250.A OD1 no hydrogen 3.493 N/A ILE 254.A N ASN 250.A O no hydrogen 3.040 N/A VAL 255.A N TRP 251.A O no hydrogen 3.317 N/A THR 256.A N ALA 252.A O no hydrogen 2.972 N/A THR 256.A OG1 ALA 252.A O no hydrogen 3.275 N/A LYS 257.A N GLU 253.A O no hydrogen 2.735 N/A LYS 257.A NZ GLU 253.A OE2 no hydrogen 2.996 N/A ALA 258.A N GLU 253.A O no hydrogen 3.234 N/A LYS 259.A NZ THR 256.A O no hydrogen 2.593 N/A VAL 260.A N ILE 254.A O no hydrogen 3.381 N/A HIS 261.A N GLY 236.A O no hydrogen 2.910 N/A ASN 263.A N PHE 238.A O no hydrogen 2.908 N/A PHE 265.A N THR 240.A O no hydrogen 2.857 N/A HIS 269.A N HIS 266.A O no hydrogen 2.938 N/A TRP 270.A N HIS 266.A O no hydrogen 3.089 N/A TRP 270.A NE1 GLU 137.A OE1 no hydrogen 2.922 N/A ASN 271.A N LEU 267.A O no hydrogen 2.909 N/A ASN 271.A ND2 TYR 125.A OH no hydrogen 2.878 N/A ASP 272.A N HIS 269.A O no hydrogen 2.885 N/A GLU 273.A N TRP 270.A O no hydrogen 2.901 N/A LYS 278.A N SER 275.A OG no hydrogen 2.944 N/A LYS 278.A NZ GLU 137.A OE2 no hydrogen 2.783 N/A TRP 279.A N SER 275.A O no hydrogen 2.904 N/A TRP 279.A NE1 ASN 271.A OD1 no hydrogen 2.990 N/A GLN 280.A N PRO 276.A O no hydrogen 2.820 N/A GLN 280.A NE2 ASP 107.A O no hydrogen 2.866 N/A GLN 280.A NE2 VAL 109.A O no hydrogen 3.070 N/A GLU 281.A N TYR 277.A O no hydrogen 2.897 N/A THR 282.A N LYS 278.A O no hydrogen 2.865 N/A THR 282.A OG1 LYS 278.A O no hydrogen 2.695 N/A PHE 283.A N TRP 279.A O no hydrogen 3.140 N/A ARG 284.A N GLN 280.A O no hydrogen 2.905 N/A ARG 284.A NE GLU 281.A OE2 no hydrogen 2.666 N/A ARG 284.A NH2 GLU 281.A OE2 no hydrogen 2.589 N/A HIS 285.A N GLU 281.A O no hydrogen 3.094 N/A LEU 286.A N THR 282.A O no hydrogen 3.091 N/A ILE 287.A N PHE 283.A O no hydrogen 2.898 N/A ARG 288.A N ARG 284.A O no hydrogen 3.068 N/A LEU 289.A N HIS 285.A O no hydrogen 3.055 N/A VAL 290.A N LEU 286.A O no hydrogen 2.935 N/A GLU 291.A N ILE 287.A O no hydrogen 2.827 N/A ASN 292.A N ARG 288.A O no hydrogen 2.868 N/A ASN 292.A ND2 GLN 294.A OE1 no hydrogen 3.359 N/A GLU 293.A N VAL 290.A O no hydrogen 2.960 N/A GLN 294.A N LEU 289.A O no hydrogen 2.897 N/A LEU 295.A N LEU 289.A O no hydrogen 3.158 N/A ARG 296.A N GLN 162.A OE1 no hydrogen 2.685 N/A HIS 301.A N LYS 325.A O no hydrogen 2.865 N/A HIS 301.A ND1 SER 302.A OG no hydrogen 2.805 N/A SER 302.A OG HIS 301.A ND1 no hydrogen 2.805 N/A TYR 304.A N PHE 327.A O no hydrogen 2.905 N/A ASP 308.A N GLU 305.A O.A no hydrogen 2.772 N/A ASP 308.A N GLU 305.A O.B no hydrogen 2.895 N/A VAL 309.A N LEU 306.A O no hydrogen 3.104 N/A LYS 310.A NZ LYS 16.A O no hydrogen 2.932 N/A ALA 312.A N ASP 308.A O no hydrogen 3.195 N/A VAL 313.A N VAL 309.A O no hydrogen 2.832 N/A ASP 314.A N LYS 310.A O no hydrogen 3.099 N/A VAL 315.A N ALA 311.A O no hydrogen 3.222 N/A VAL 316.A N ALA 312.A O no hydrogen 3.139 N/A GLN 317.A N VAL 313.A O no hydrogen 2.910 N/A SER 318.A N VAL 315.A O no hydrogen 3.180 N/A GLU 320.A N SER 318.A OG no hydrogen 3.312 N/A LYS 321.A N SER 318.A O no hydrogen 3.270 N/A LYS 321.A NZ THR 322.A O no hydrogen 2.781 N/A LYS 321.A NZ GLY 324.A O no hydrogen 2.722 N/A THR 322.A OG1 HIS 301.A NE2 no hydrogen 3.137 N/A LYS 325.A N LYS 299.A O no hydrogen 3.097 N/A LYS 325.A NZ ASN 44.A OD1 no hydrogen 2.955 N/A PHE 327.A N SER 302.A O no hydrogen 3.031 N/A LEU 328.A N ARG 41.A O no hydrogen 2.771 N/A THR 329.A N TYR 304.A O no hydrogen 2.666 N/A SER 330.A N LEU 39.A O no hydrogen 2.753 N/A TYR 331.A OH ASP 118.A OD2 no hydrogen 2.491 N/A