Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rye_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLN 5.A OE1 no hydrogen 2.959 N/A TYR 3.A OH THR 54.A OG1 no hydrogen 2.817 N/A GLU 6.A N TYR 3.A O no hydrogen 3.237 N/A LYS 7.A NZ LYS 48.A O no hydrogen 3.449 N/A PHE 10.A N GLU 6.A O no hydrogen 3.114 N/A VAL 11.A N LYS 7.A O no hydrogen 2.774 N/A GLN 12.A N GLN 8.A O no hydrogen 3.072 N/A HIS 13.A N ASP 9.A O no hydrogen 3.129 N/A HIS 13.A N PHE 10.A O no hydrogen 3.169 N/A HIS 13.A NE2 THR 78.A OG1 no hydrogen 3.355 N/A PHE 14.A N VAL 11.A O no hydrogen 3.136 N/A SER 15.A OG GLN 12.A O no hydrogen 3.496 N/A GLN 16.A N HIS 13.A O no hydrogen 2.928 N/A ILE 17.A N HIS 13.A O no hydrogen 3.068 N/A VAL 18.A N PHE 14.A O no hydrogen 2.939 N/A ARG 19.A N SER 15.A O no hydrogen 3.062 N/A VAL 20.A N GLN 16.A O no hydrogen 2.956 N/A LEU 21.A N ILE 17.A O no hydrogen 2.946 N/A THR 22.A N ARG 19.A O no hydrogen 3.135 N/A THR 22.A OG1 VAL 18.A O no hydrogen 3.149 N/A ILE 29.A N HIS 26.A O no hydrogen 3.265 N/A GLY 30.A N PRO 27.A O no hydrogen 2.987 N/A ILE 33.A N ILE 29.A O no hydrogen 2.950 N/A ALA 34.A N GLY 30.A O no hydrogen 2.842 N/A ARG 35.A N ASP 31.A O no hydrogen 3.122 N/A ARG 35.A NE ASP 122.A OD1 no hydrogen 3.086 N/A ARG 35.A NH1 ASP 122.A OD1 no hydrogen 3.472 N/A ARG 35.A NH1 ASP 122.A OD2 no hydrogen 2.799 N/A LEU 36.A N ALA 32.A O no hydrogen 2.928 N/A LYS 37.A N ILE 33.A O no hydrogen 3.076 N/A GLU 38.A N ALA 34.A O no hydrogen 3.152 N/A VAL 39.A N ARG 35.A O no hydrogen 2.848 N/A LEU 40.A N LEU 36.A O no hydrogen 2.862 N/A GLU 41.A N LYS 37.A O no hydrogen 2.958 N/A TYR 42.A N GLU 38.A O no hydrogen 2.987 N/A TYR 42.A OH ILE 107.A O no hydrogen 2.404 N/A ASN 43.A N VAL 39.A O no hydrogen 2.955 N/A ASN 43.A N LEU 40.A O no hydrogen 3.244 N/A ASN 43.A ND2 VAL 39.A O no hydrogen 2.950 N/A ALA 44.A N LEU 40.A O no hydrogen 2.834 N/A GLY 46.A N TYR 49.A OH no hydrogen 2.920 N/A ARG 51.A NE SER 196.A OG no hydrogen 2.814 N/A ARG 51.A NH2 SER 196.A OG no hydrogen 2.944 N/A GLY 52.A N GLU 84.A OE2 no hydrogen 2.842 N/A LEU 53.A N TYR 49.A O no hydrogen 2.926 N/A THR 54.A N ASN 50.A O no hydrogen 2.977 N/A THR 54.A OG1 TYR 3.A OH no hydrogen 2.817 N/A THR 54.A OG1 ASN 50.A O no hydrogen 2.675 N/A VAL 56.A N GLY 52.A O no hydrogen 3.417 N/A VAL 57.A N LEU 53.A O no hydrogen 2.772 N/A ALA 58.A N THR 54.A O no hydrogen 2.916 N/A PHE 59.A N VAL 55.A O no hydrogen 2.969 N/A ARG 60.A N VAL 56.A O no hydrogen 3.135 N/A ARG 60.A NE GLN 68.A OE1 no hydrogen 3.563 N/A ARG 60.A NH1 GLU 6.A OE2 no hydrogen 1.987 N/A GLU 61.A N VAL 57.A O no hydrogen 3.150 N/A LEU 62.A N PHE 59.A O no hydrogen 3.208 N/A VAL 63.A N PHE 59.A O no hydrogen 3.013 N/A LYS 67.A N GLU 64.A O no hydrogen 2.609 N/A GLN 68.A N PRO 65.A O no hydrogen 3.235 N/A GLN 68.A NE2 ARG 60.A O no hydrogen 3.061 N/A GLN 68.A NE2 VAL 63.A O no hydrogen 2.932 N/A ASP 71.A N ASP 69.A OD1 no hydrogen 3.258 N/A SER 72.A N ASP 69.A OD1 no hydrogen 3.112 N/A SER 72.A OG LYS 67.A O no hydrogen 3.040 N/A SER 72.A OG ASP 69.A O no hydrogen 3.414 N/A SER 72.A OG ASP 69.A OD2 no hydrogen 3.563 N/A LEU 73.A N ASP 69.A O no hydrogen 3.148 N/A GLN 74.A N ALA 70.A O no hydrogen 3.079 N/A ARG 75.A N ASP 71.A O no hydrogen 3.025 N/A ALA 76.A N SER 72.A O no hydrogen 3.028 N/A TRP 77.A N LEU 73.A O no hydrogen 2.971 N/A THR 78.A N GLN 74.A O no hydrogen 2.983 N/A THR 78.A OG1 HIS 13.A NE2 no hydrogen 3.355 N/A THR 78.A OG1 GLN 74.A O no hydrogen 3.010 N/A VAL 79.A N ARG 75.A O no hydrogen 2.983 N/A GLY 80.A N ALA 76.A O no hydrogen 2.943 N/A TRP 81.A N TRP 77.A O no hydrogen 2.957 N/A TRP 81.A NE1 PHE 10.A O no hydrogen 2.943 N/A CYS 82.A N THR 78.A O no hydrogen 2.801 N/A CYS 82.A SG THR 78.A O no hydrogen 3.447 N/A CYS 82.A SG ILE 130.A O no hydrogen 3.613 N/A VAL 83.A N VAL 79.A O no hydrogen 3.085 N/A GLU 84.A N GLY 80.A O no hydrogen 3.136 N/A LEU 85.A N TRP 81.A O no hydrogen 2.778 N/A LEU 86.A N CYS 82.A O no hydrogen 3.050 N/A GLN 87.A N VAL 83.A O no hydrogen 3.157 N/A ALA 88.A N GLU 84.A O no hydrogen 2.854 N/A PHE 89.A N LEU 85.A O no hydrogen 2.956 N/A PHE 90.A N LEU 86.A O no hydrogen 3.026 N/A LEU 91.A N GLN 87.A O no hydrogen 2.883 N/A VAL 92.A N ALA 88.A O no hydrogen 3.043 N/A ALA 93.A N PHE 89.A O no hydrogen 3.421 N/A ASP 94.A N PHE 90.A O no hydrogen 2.843 N/A ASP 95.A N LEU 91.A O no hydrogen 2.841 N/A ILE 96.A N VAL 92.A O no hydrogen 3.457 N/A MET 97.A N ALA 93.A O no hydrogen 2.963 N/A ASP 98.A N ASP 94.A O no hydrogen 2.789 N/A SER 99.A N ILE 96.A O no hydrogen 3.144 N/A SER 100.A N ASP 95.A O no hydrogen 2.917 N/A ARG 103.A N GLN 106.A O no hydrogen 2.821 N/A ARG 103.A NE ASP 95.A OD2 no hydrogen 3.038 N/A ARG 103.A NH2 ASP 95.A OD1 no hydrogen 2.951 N/A ARG 104.A NH1 ASN 43.A O no hydrogen 2.671 N/A GLY 105.A N GLY 247.A O no hydrogen 2.706 N/A GLN 106.A N ARG 103.A O no hydrogen 3.130 N/A GLN 106.A NE2 TYR 42.A O no hydrogen 3.208 N/A CYS 108.A N LEU 101.A O no hydrogen 2.916 N/A TRP 109.A NE1 ASP 122.A OD2 no hydrogen 2.794 N/A TYR 110.A OH SER 100.A O no hydrogen 2.801 N/A GLN 111.A N CYS 108.A O no hydrogen 2.951 N/A GLN 111.A NE2 SER 100.A O no hydrogen 3.301 N/A LYS 112.A N TRP 109.A O no hydrogen 3.024 N/A VAL 115.A N LYS 112.A O no hydrogen 2.884 N/A ASP 118.A N VAL 115.A O no hydrogen 3.301 N/A ALA 119.A N GLY 116.A O no hydrogen 3.169 N/A ILE 120.A N LEU 117.A O no hydrogen 3.089 N/A ASP 122.A N ASP 118.A O no hydrogen 3.208 N/A ALA 123.A N ALA 119.A O no hydrogen 2.870 N/A ASN 124.A N ILE 120.A O no hydrogen 3.187 N/A LEU 125.A N ASN 121.A O no hydrogen 3.009 N/A LEU 126.A N ASP 122.A O no hydrogen 3.112 N/A GLU 127.A N ALA 123.A O no hydrogen 3.133 N/A ALA 128.A N ASN 124.A O no hydrogen 2.937 N/A CYS 129.A N LEU 125.A O no hydrogen 2.918 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.501 N/A ILE 130.A N GLU 127.A O no hydrogen 3.157 N/A TYR 131.A N ALA 128.A O no hydrogen 3.174 N/A ARG 132.A N ALA 128.A O no hydrogen 3.232 N/A ARG 132.A NH1 ASP 24.A OD1 no hydrogen 3.558 N/A LEU 133.A N CYS 129.A O no hydrogen 2.902 N/A LEU 134.A N ILE 130.A O no hydrogen 2.951 N/A LYS 135.A N TYR 131.A O no hydrogen 3.147 N/A LEU 136.A N ARG 132.A O no hydrogen 3.070 N/A TYR 137.A N LEU 133.A O no hydrogen 2.991 N/A TYR 137.A OH GLN 16.A OE1 no hydrogen 2.764 N/A CYS 138.A N LEU 134.A O no hydrogen 2.745 N/A GLN 141.A N CYS 138.A O no hydrogen 2.988 N/A TYR 144.A N GLN 141.A O no hydrogen 3.235 N/A LEU 147.A N TYR 143.A O no hydrogen 2.922 N/A ILE 148.A N TYR 144.A O no hydrogen 3.024 N/A GLU 149.A N LEU 145.A O no hydrogen 2.944 N/A LEU 150.A N ASN 146.A O no hydrogen 2.898 N/A PHE 151.A N LEU 147.A O no hydrogen 2.948 N/A LEU 152.A N ILE 148.A O no hydrogen 3.018 N/A GLN 153.A N GLU 149.A O no hydrogen 2.853 N/A SER 154.A N LEU 150.A O no hydrogen 2.860 N/A SER 154.A OG LEU 150.A O no hydrogen 2.683 N/A SER 155.A N PHE 151.A O no hydrogen 3.045 N/A SER 155.A OG PHE 151.A O no hydrogen 2.812 N/A TYR 156.A N LEU 152.A O no hydrogen 2.980 N/A GLN 157.A N GLN 153.A O no hydrogen 2.941 N/A THR 158.A N SER 154.A O no hydrogen 3.000 N/A THR 158.A OG1 SER 154.A O no hydrogen 2.956 N/A GLU 159.A N SER 155.A O no hydrogen 2.920 N/A ILE 160.A N TYR 156.A O no hydrogen 2.956 N/A GLY 161.A N GLN 157.A O no hydrogen 2.999 N/A GLN 162.A N THR 158.A O no hydrogen 2.809 N/A GLN 162.A NE2 ASP 94.A OD2 no hydrogen 3.242 N/A THR 163.A N GLU 159.A O no hydrogen 2.891 N/A THR 163.A OG1 GLU 159.A O no hydrogen 2.837 N/A LEU 164.A N ILE 160.A O no hydrogen 3.041 N/A ASP 165.A N GLY 161.A O no hydrogen 2.830 N/A LEU 166.A N GLN 162.A O no hydrogen 2.838 N/A LEU 167.A N THR 163.A O no hydrogen 2.859 N/A THR 168.A N LEU 164.A O no hydrogen 3.005 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.669 N/A ALA 169.A N LEU 166.A O no hydrogen 3.189 N/A ASN 173.A N PRO 170.A O no hydrogen 3.370 N/A PHE 179.A N LEU 176.A O no hydrogen 3.012 N/A THR 180.A N ARG 178.A O no hydrogen 2.996 N/A ARG 183.A N THR 180.A OG1 no hydrogen 3.178 N/A ARG 183.A NE THR 168.A OG1 no hydrogen 2.708 N/A ARG 183.A NH2 THR 168.A OG1 no hydrogen 2.898 N/A TYR 184.A N THR 180.A O no hydrogen 2.944 N/A TYR 184.A OH ASP 235.A OD2 no hydrogen 2.640 N/A LYS 185.A N GLU 181.A O no hydrogen 2.955 N/A SER 186.A N LYS 182.A O no hydrogen 3.258 N/A SER 186.A OG LYS 182.A O no hydrogen 3.260 N/A ILE 187.A N ARG 183.A O no hydrogen 3.072 N/A VAL 188.A N TYR 184.A O no hydrogen 3.196 N/A LYS 189.A N LYS 185.A O no hydrogen 3.161 N/A TYR 190.A N SER 186.A O no hydrogen 3.221 N/A LYS 191.A N ILE 187.A O no hydrogen 2.762 N/A LYS 191.A NZ ASP 165.A OD2 no hydrogen 3.031 N/A THR 192.A N VAL 188.A O no hydrogen 2.908 N/A THR 192.A OG1 GLN 231.A OE1 no hydrogen 2.677 N/A ALA 193.A N VAL 188.A O no hydrogen 3.050 N/A TYR 195.A OH GLN 87.A OE1 no hydrogen 2.504 N/A SER 196.A N THR 192.A O no hydrogen 3.042 N/A PHE 197.A N ALA 193.A O no hydrogen 3.256 N/A TYR 198.A N ALA 193.A O no hydrogen 3.374 N/A TYR 198.A OH HIS 216.A ND1 no hydrogen 2.790 N/A LEU 199.A N PHE 194.A O no hydrogen 2.806 N/A ALA 202.A N TYR 198.A O no hydrogen 2.798 N/A ALA 203.A N LEU 199.A O no hydrogen 2.916 N/A ALA 204.A N PRO 200.A O no hydrogen 3.233 N/A MET 205.A N ILE 201.A O no hydrogen 2.846 N/A TYR 206.A N ALA 202.A O no hydrogen 2.871 N/A MET 207.A N ALA 203.A O no hydrogen 2.937 N/A ALA 208.A N ALA 204.A O no hydrogen 2.917 N/A ALA 208.A N MET 205.A O no hydrogen 2.920 N/A GLY 209.A N TYR 206.A O no hydrogen 3.080 N/A ILE 210.A N MET 205.A O no hydrogen 2.875 N/A HIS 216.A N GLY 212.A O no hydrogen 3.067 N/A HIS 216.A ND1 TYR 198.A OH no hydrogen 2.790 N/A HIS 216.A NE2 ILE 210.A O no hydrogen 2.836 N/A ALA 217.A N GLU 213.A O no hydrogen 2.901 N/A ASN 218.A N LYS 214.A O no hydrogen 3.008 N/A ALA 219.A N GLU 215.A O no hydrogen 3.039 N/A LYS 220.A N HIS 216.A O no hydrogen 2.886 N/A LYS 221.A N ALA 217.A O no hydrogen 3.102 N/A LYS 221.A N ASN 218.A O no hydrogen 3.077 N/A LEU 223.A N ALA 219.A O no hydrogen 3.002 N/A LEU 224.A N LYS 220.A O no hydrogen 2.944 N/A MET 226.A N ILE 222.A O no hydrogen 3.090 N/A GLY 227.A N LEU 223.A O no hydrogen 2.984 N/A GLU 228.A N LEU 224.A O no hydrogen 2.926 N/A PHE 229.A N GLU 225.A O no hydrogen 3.092 N/A PHE 230.A N MET 226.A O no hydrogen 2.949 N/A GLN 231.A N GLY 227.A O no hydrogen 3.067 N/A GLN 231.A NE2 ASP 234.A OD2 no hydrogen 3.041 N/A GLN 231.A NE2 ASP 235.A OD1 no hydrogen 2.953 N/A ILE 232.A N GLU 228.A O no hydrogen 3.063 N/A GLN 233.A N PHE 229.A O no hydrogen 2.803 N/A GLN 233.A NE2 ILE 339.A O no hydrogen 3.295 N/A ASP 234.A N PHE 230.A O no hydrogen 2.951 N/A ASP 235.A N GLN 231.A O no hydrogen 2.886 N/A TYR 236.A N ILE 232.A O no hydrogen 2.997 N/A LEU 237.A N GLN 233.A O no hydrogen 3.007 N/A ASP 238.A N ASP 234.A O no hydrogen 2.975 N/A LEU 239.A N TYR 236.A O no hydrogen 3.268 N/A PHE 240.A N TYR 236.A O no hydrogen 2.935 N/A GLY 241.A N LEU 237.A O no hydrogen 2.941 N/A SER 244.A N ASP 242.A OD2 no hydrogen 3.059 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.674 N/A SER 244.A OG ASP 242.A OD2 no hydrogen 3.083 N/A VAL 245.A N ASP 242.A O no hydrogen 2.694 N/A THR 246.A N ASP 242.A O no hydrogen 2.968 N/A THR 246.A OG1 LYS 248.A O no hydrogen 3.238 N/A GLY 247.A N PRO 243.A O no hydrogen 2.671 N/A LYS 248.A N THR 246.A OG1 no hydrogen 3.344 N/A LYS 248.A NZ ASP 234.A OD1 no hydrogen 2.834 N/A ILE 249.A N THR 102.A OG1 no hydrogen 3.020 N/A THR 251.A OG1 ASP 255.A OD2 no hydrogen 3.346 N/A ASP 252.A N ASP 238.A OD2 no hydrogen 2.954 N/A GLN 254.A N GLN 254.A OE1 no hydrogen 2.735 N/A ASP 255.A N THR 251.A O no hydrogen 2.783 N/A ASN 256.A N ILE 253.A O no hydrogen 3.059 N/A ASN 256.A ND2 PRO 170.A O no hydrogen 2.935 N/A ASN 256.A ND2 ASN 173.A O no hydrogen 2.844 N/A LYS 257.A N ASP 252.A O no hydrogen 2.955 N/A LYS 257.A NZ ASP 98.A OD1 no hydrogen 2.949 N/A LYS 257.A NZ ASP 165.A OD1 no hydrogen 2.880 N/A TRP 260.A N ASP 235.A OD2 no hydrogen 3.088 N/A LEU 261.A N SER 259.A OG no hydrogen 3.003 N/A VAL 263.A N SER 259.A O no hydrogen 3.180 N/A GLN 264.A N TRP 260.A O no hydrogen 2.943 N/A CYS 265.A N LEU 261.A O no hydrogen 2.731 N/A LEU 266.A N VAL 262.A O no hydrogen 2.865 N/A GLN 267.A N VAL 263.A O no hydrogen 3.174 N/A ARG 268.A N CYS 265.A O no hydrogen 2.907 N/A THR 270.A N GLN 273.A OE1 no hydrogen 2.683 N/A THR 270.A OG1 GLN 273.A OE1 no hydrogen 3.260 N/A GLN 273.A N THR 270.A OG1 no hydrogen 3.168 N/A GLN 273.A NE2 GLU 298.A OE1 no hydrogen 2.690 N/A TYR 274.A N THR 270.A O no hydrogen 2.870 N/A GLN 275.A N PRO 271.A O no hydrogen 3.196 N/A ILE 276.A N GLU 272.A O no hydrogen 3.340 N/A LEU 277.A N GLN 273.A O no hydrogen 2.991 N/A LYS 278.A N TYR 274.A O no hydrogen 2.827 N/A GLU 279.A N GLN 275.A O no hydrogen 2.833 N/A ASN 280.A N LEU 277.A O no hydrogen 3.052 N/A ASN 280.A ND2 ILE 276.A O no hydrogen 2.811 N/A TYR 281.A N LEU 277.A O no hydrogen 2.804 N/A TYR 281.A OH LYS 257.A O no hydrogen 2.626 N/A GLY 282.A N ILE 253.A O no hydrogen 2.998 N/A GLN 283.A NE2 GLU 279.A O no hydrogen 3.087 N/A GLN 283.A NE2 TYR 281.A O no hydrogen 3.148 N/A GLU 285.A N GLU 285.A OE1 no hydrogen 3.002 N/A LYS 288.A N GLU 285.A O no hydrogen 2.775 N/A VAL 289.A N GLU 285.A O no hydrogen 3.060 N/A ALA 290.A N ALA 286.A O no hydrogen 2.905 N/A ARG 291.A N GLU 287.A O no hydrogen 3.198 N/A ARG 291.A NH1 ASN 280.A OD1 no hydrogen 3.175 N/A VAL 292.A N LYS 288.A O no hydrogen 3.242 N/A LYS 293.A N VAL 289.A O no hydrogen 3.089 N/A ALA 294.A N ALA 290.A O no hydrogen 3.098 N/A LEU 295.A N ARG 291.A O no hydrogen 2.960 N/A TYR 296.A N VAL 292.A O no hydrogen 2.913 N/A GLU 297.A N LYS 293.A O no hydrogen 3.020 N/A GLU 298.A N ALA 294.A O no hydrogen 2.871 N/A LEU 299.A N LEU 295.A O no hydrogen 2.999 N/A ASP 300.A N GLU 297.A O no hydrogen 2.953 N/A LEU 301.A N TYR 296.A O no hydrogen 3.079 N/A VAL 304.A N ASP 300.A O no hydrogen 2.955 N/A PHE 305.A N LEU 301.A O no hydrogen 2.877 N/A LEU 306.A N PRO 302.A O no hydrogen 3.103 N/A GLN 307.A N ALA 303.A O no hydrogen 3.171 N/A TYR 308.A N VAL 304.A O no hydrogen 2.951 N/A GLU 309.A N PHE 305.A O no hydrogen 2.829 N/A GLU 310.A N LEU 306.A O no hydrogen 3.331 N/A ASP 311.A N GLN 307.A O no hydrogen 3.014 N/A SER 312.A N TYR 308.A O no hydrogen 2.753 N/A SER 312.A OG TYR 340.A OH no hydrogen 2.530 N/A TYR 313.A N GLU 309.A O no hydrogen 2.944 N/A SER 314.A N GLU 310.A O no hydrogen 3.133 N/A HIS 315.A N ASP 311.A O no hydrogen 3.011 N/A ILE 316.A N SER 312.A O no hydrogen 2.878 N/A MET 317.A N TYR 313.A O no hydrogen 3.047 N/A ALA 318.A N SER 314.A O no hydrogen 2.974 N/A LEU 319.A N HIS 315.A O no hydrogen 3.014 N/A ILE 320.A N ILE 316.A O no hydrogen 2.944 N/A GLU 321.A N MET 317.A O no hydrogen 3.045 N/A GLN 322.A N ALA 318.A O no hydrogen 3.062 N/A TYR 323.A N LEU 319.A O no hydrogen 2.815 N/A ALA 324.A N ILE 320.A O no hydrogen 3.041 N/A LEU 327.A N ALA 324.A O no hydrogen 3.072 N/A VAL 331.A N PRO 328.A O no hydrogen 3.059 N/A LEU 333.A N PRO 329.A O no hydrogen 2.965 N/A GLY 334.A N ALA 330.A O no hydrogen 2.794 N/A ALA 336.A N PHE 332.A O no hydrogen 2.899 N/A ARG 337.A N LEU 333.A O no hydrogen 2.882 N/A LYS 338.A N GLY 334.A O no hydrogen 3.174 N/A ILE 339.A N LEU 335.A O no hydrogen 3.198 N/A TYR 340.A N ALA 336.A O no hydrogen 2.912 N/A TYR 340.A OH SER 312.A OG no hydrogen 2.530 N/A