Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 26.A OD1 no hydrogen 2.981 N/A LYS 3.A N ASP 71.A OD2 no hydrogen 2.885 N/A LYS 3.A NZ LEU 68.A O no hydrogen 3.267 N/A LYS 3.A NZ GLN 69.A O no hydrogen 2.632 N/A VAL 4.A N LYS 27.A O no hydrogen 2.706 N/A PHE 5.A N ALA 72.A O no hydrogen 3.111 N/A ILE 6.A N VAL 29.A O no hydrogen 2.892 N/A THR 7.A N VAL 74.A O no hydrogen 3.040 N/A THR 7.A OG1 HIS 75.A ND1 no hydrogen 2.672 N/A GLY 8.A N ILE 31.A O no hydrogen 2.849 N/A ILE 9.A N ILE 31.A O no hydrogen 3.325 N/A CYS 10.A N ASP 32.A OD2 no hydrogen 2.873 N/A GLY 11.A N GLY 8.A O no hydrogen 2.982 N/A SER 15.A N GLY 11.A O no hydrogen 2.998 N/A SER 15.A OG GLY 11.A O no hydrogen 2.636 N/A SER 15.A OG GLN 12.A O no hydrogen 3.546 N/A HIS 16.A ND1 GLN 12.A O no hydrogen 2.590 N/A ILE 17.A N ILE 13.A O no hydrogen 3.086 N/A ALA 18.A N GLY 14.A O no hydrogen 2.940 N/A GLU 19.A N SER 15.A O no hydrogen 3.110 N/A LEU 21.A N ILE 17.A O no hydrogen 3.140 N/A LEU 22.A N ALA 18.A O no hydrogen 2.855 N/A GLU 23.A N GLU 19.A O no hydrogen 2.919 N/A ARG 24.A N LEU 20.A O no hydrogen 3.309 N/A ARG 24.A NE ASP 26.A OD2 no hydrogen 2.742 N/A ARG 24.A NH1 ASP 216.A OD2 no hydrogen 2.761 N/A ARG 24.A NH2 ASP 26.A OD2 no hydrogen 3.019 N/A ARG 24.A NH2 ASP 216.A OD1 no hydrogen 2.785 N/A ARG 24.A NH2 ASP 216.A OD2 no hydrogen 3.488 N/A GLY 25.A N LEU 22.A O no hydrogen 3.092 N/A ASP 26.A N LEU 21.A O no hydrogen 2.946 N/A LYS 27.A N LYS 2.A O no hydrogen 2.884 N/A VAL 28.A N ASN 47.A O no hydrogen 2.989 N/A VAL 29.A N VAL 4.A O no hydrogen 2.980 N/A GLY 30.A N THR 49.A O no hydrogen 2.938 N/A ILE 31.A N ILE 6.A O no hydrogen 3.127 N/A PHE 34.A N ASP 32.A OD1 no hydrogen 2.812 N/A ALA 35.A N ASN 33.A OD1 no hydrogen 3.077 N/A ARG 38.A N CYS 10.A O no hydrogen 3.254 N/A ARG 38.A NH1 TYR 298.A O no hydrogen 2.810 N/A ARG 38.A NH2 GLU 40.A OE2 no hydrogen 2.672 N/A ARG 38.A NH2 TYR 298.A O no hydrogen 3.416 N/A ARG 39.A NH2 LEU 42.A O no hydrogen 3.374 N/A ARG 39.A NH2 ASP 44.A OD1 no hydrogen 3.197 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.553 N/A HIS 41.A N ARG 38.A O no hydrogen 3.057 N/A HIS 41.A ND1 CYS 10.A O no hydrogen 2.829 N/A HIS 41.A NE2 TYR 294.A OH no hydrogen 2.575 N/A LEU 42.A N ARG 39.A O no hydrogen 3.123 N/A LEU 48.A N HIS 45.A O no hydrogen 3.023 N/A THR 49.A N VAL 28.A O no hydrogen 2.914 N/A VAL 51.A N GLY 30.A O no hydrogen 2.969 N/A GLY 53.A N ASP 32.A O no hydrogen 3.024 N/A ALA 56.A N SER 54.A OG no hydrogen 3.051 N/A ASP 57.A N SER 54.A O no hydrogen 2.973 N/A LEU 60.A N ASP 57.A OD1 no hydrogen 3.188 N/A VAL 61.A N ASP 57.A O no hydrogen 3.138 N/A ASN 62.A N HIS 58.A O no hydrogen 3.148 N/A ASN 62.A ND2 HIS 58.A O no hydrogen 2.683 N/A GLN 63.A N ALA 59.A O no hydrogen 2.968 N/A GLN 63.A NE2 GLN 63.A O no hydrogen 3.616 N/A GLN 63.A NE2 ASP 67.A OD1 no hydrogen 3.044 N/A GLN 63.A NE2 ASP 67.A OD2 no hydrogen 3.143 N/A LEU 64.A N LEU 60.A O no hydrogen 2.992 N/A ILE 65.A N VAL 61.A O no hydrogen 3.032 N/A GLY 66.A N ASN 62.A O no hydrogen 2.733 N/A ASP 67.A N GLN 63.A O no hydrogen 3.029 N/A LEU 68.A N LEU 64.A O no hydrogen 3.220 N/A GLN 69.A N ILE 65.A O no hydrogen 3.016 N/A GLN 69.A NE2 ASN 107.A O no hydrogen 3.684 N/A ASP 71.A N LYS 3.A O no hydrogen 2.821 N/A ALA 72.A N LYS 3.A O no hydrogen 3.445 N/A VAL 73.A N ARG 111.A O no hydrogen 2.880 N/A VAL 74.A N PHE 5.A O no hydrogen 2.775 N/A HIS 75.A N VAL 113.A O no hydrogen 2.844 N/A HIS 75.A ND1 THR 7.A OG1 no hydrogen 2.672 N/A THR 76.A N THR 7.A O no hydrogen 3.238 N/A THR 76.A OG1 THR 7.A O no hydrogen 2.742 N/A ALA 77.A N THR 7.A OG1 no hydrogen 2.964 N/A SER 79.A N ASN 93.A OD1 no hydrogen 2.810 N/A SER 79.A OG ASP 89.A OD1 no hydrogen 2.818 N/A ASP 84.A N ASP 82.A OD1 no hydrogen 3.199 N/A ASP 85.A N ASP 82.A O no hydrogen 2.967 N/A ASN 88.A N ASP 85.A OD1 no hydrogen 3.108 N/A ASN 88.A ND2 ASP 85.A OD1 no hydrogen 3.409 N/A ASN 88.A ND2 ASP 85.A OD2 no hydrogen 2.841 N/A ASP 89.A N ASP 85.A O no hydrogen 3.290 N/A THR 90.A N TRP 86.A O no hydrogen 3.011 N/A THR 90.A OG1 TRP 86.A O no hydrogen 2.787 N/A THR 90.A OG1 TYR 87.A O no hydrogen 3.169 N/A LEU 91.A N TYR 87.A O no hydrogen 2.928 N/A THR 92.A N ASN 88.A O no hydrogen 2.733 N/A THR 92.A OG1 ASN 88.A O no hydrogen 3.300 N/A ASN 93.A N ASP 89.A O no hydrogen 2.834 N/A ASN 93.A ND2 SER 79.A O no hydrogen 2.894 N/A ASN 93.A ND2 SER 146.A OG no hydrogen 2.903 N/A CYS 94.A N THR 90.A O no hydrogen 2.794 N/A CYS 94.A SG SER 146.A O no hydrogen 3.827 N/A VAL 95.A N THR 90.A O no hydrogen 2.987 N/A GLY 96.A N LEU 91.A O no hydrogen 2.773 N/A GLY 97.A N THR 92.A O no hydrogen 2.859 N/A SER 98.A N CYS 94.A O no hydrogen 2.873 N/A SER 98.A OG CYS 94.A O no hydrogen 2.870 N/A SER 98.A OG VAL 95.A O no hydrogen 3.304 N/A ASN 99.A N VAL 95.A O no hydrogen 2.928 N/A VAL 100.A N GLY 96.A O no hydrogen 3.083 N/A VAL 101.A N GLY 97.A O no hydrogen 3.057 N/A GLN 102.A N SER 98.A O no hydrogen 2.859 N/A ALA 103.A N ASN 99.A O no hydrogen 2.929 N/A ALA 104.A N VAL 100.A O no hydrogen 3.088 N/A LYS 105.A N VAL 101.A O no hydrogen 3.063 N/A LYS 106.A N GLN 102.A O no hydrogen 2.794 N/A ASN 107.A N ALA 103.A O no hydrogen 3.199 N/A ASN 107.A ND2 ALA 103.A O no hydrogen 2.797 N/A ASN 108.A N LYS 105.A O no hydrogen 3.153 N/A VAL 109.A N ALA 104.A O no hydrogen 2.958 N/A ARG 111.A N ASP 71.A O no hydrogen 3.080 N/A ARG 111.A NE ALA 214.A O no hydrogen 2.994 N/A ARG 111.A NH1 ASP 160.A OD2 no hydrogen 2.865 N/A ARG 111.A NH1 GLY 219.A O no hydrogen 3.052 N/A ARG 111.A NH2 ALA 214.A O no hydrogen 2.821 N/A ARG 111.A NH2 GLY 219.A O no hydrogen 2.887 N/A PHE 112.A N ASP 160.A O no hydrogen 2.932 N/A VAL 113.A N VAL 73.A O no hydrogen 2.834 N/A TYR 114.A N VAL 162.A O no hydrogen 2.826 N/A TYR 114.A OH LYS 147.A O no hydrogen 2.696 N/A GLN 116.A N PHE 164.A O no hydrogen 2.917 N/A GLN 116.A NE2 SER 148.A OG no hydrogen 3.118 N/A GLN 116.A NE2 GLU 151.A OE1 no hydrogen 2.950 N/A THR 117.A N GLN 116.A OE1 no hydrogen 2.843 N/A ALA 118.A N LEU 166.A O no hydrogen 2.931 N/A LEU 119.A N THR 117.A OG1 no hydrogen 3.073 N/A CYS 120.A N THR 117.A O no hydrogen 3.237 N/A CYS 120.A SG THR 117.A O no hydrogen 3.388 N/A CYS 120.A SG ALA 118.A O no hydrogen 3.991 N/A TYR 121.A N ALA 118.A O no hydrogen 3.025 N/A TYR 121.A OH HIS 224.A NE2 no hydrogen 2.745 N/A GLY 122.A N LEU 119.A O no hydrogen 2.889 N/A VAL 130.A N LEU 266.A O no hydrogen 2.806 N/A ARG 131.A N GLN 127.A OE1 no hydrogen 2.699 N/A HIS 134.A N ARG 131.A O no hydrogen 3.106 N/A HIS 134.A ND1 PRO 135.A O no hydrogen 2.801 N/A ARG 136.A NH2 GLU 151.A OE1 no hydrogen 2.519 N/A ASN 137.A N CYS 120.A O no hydrogen 2.707 N/A ASN 137.A ND2 TYR 121.A O no hydrogen 2.922 N/A ASN 140.A N PRO 138.A O no hydrogen 2.826 N/A SER 142.A OG ASP 89.A OD2 no hydrogen 2.693 N/A ALA 144.A N SER 141.A OG no hydrogen 3.154 N/A ILE 145.A N SER 141.A O no hydrogen 2.972 N/A SER 146.A N SER 142.A O no hydrogen 2.948 N/A SER 146.A OG SER 142.A O no hydrogen 2.791 N/A SER 146.A OG TYR 143.A O no hydrogen 3.194 N/A LYS 147.A N TYR 143.A O no hydrogen 2.940 N/A LYS 147.A NZ TYR 114.A OH no hydrogen 3.415 N/A LYS 147.A NZ PHE 115.A O no hydrogen 2.893 N/A SER 148.A N ALA 144.A O no hydrogen 2.966 N/A SER 148.A OG ALA 144.A O no hydrogen 2.766 N/A ALA 149.A N ILE 145.A O no hydrogen 2.875 N/A ASN 150.A N SER 146.A O no hydrogen 3.076 N/A ASN 150.A ND2 HIS 75.A NE2 no hydrogen 2.843 N/A GLU 151.A N LYS 147.A O no hydrogen 2.992 N/A ASP 152.A N SER 148.A O no hydrogen 2.804 N/A TYR 153.A N ALA 149.A O no hydrogen 3.072 N/A LEU 154.A N ASN 150.A O no hydrogen 3.195 N/A GLU 155.A N GLU 151.A O no hydrogen 2.995 N/A TYR 156.A N ASP 152.A O no hydrogen 3.020 N/A SER 157.A N TYR 153.A O no hydrogen 2.946 N/A SER 157.A N LEU 154.A O no hydrogen 3.302 N/A SER 157.A OG LEU 154.A O no hydrogen 2.624 N/A LEU 159.A N SER 157.A OG no hydrogen 3.055 N/A VAL 162.A N PHE 112.A O no hydrogen 2.731 N/A THR 163.A N GLY 221.A O no hydrogen 2.921 N/A PHE 164.A N TYR 114.A O no hydrogen 2.949 N/A ARG 165.A N TYR 223.A O no hydrogen 2.712 N/A ARG 165.A NE GLU 151.A OE2 no hydrogen 3.025 N/A ARG 165.A NH1 TYR 121.A OH no hydrogen 2.638 N/A ARG 165.A NH2 GLU 151.A OE2 no hydrogen 2.978 N/A LEU 166.A N GLN 116.A O no hydrogen 2.822 N/A ASN 168.A ND2 ASP 200.A O no hydrogen 3.291 N/A VAL 170.A N VAL 202.A O no hydrogen 2.938 N/A ARG 173.A NH1 SER 15.A OG no hydrogen 2.795 N/A ARG 173.A NH1 GLU 19.A OE1 no hydrogen 3.258 N/A ARG 173.A NH1 GLU 19.A OE2 no hydrogen 3.431 N/A ARG 173.A NH2 GLU 19.A OE2 no hydrogen 2.764 N/A ASN 174.A N GLY 171.A O no hydrogen 3.321 N/A PHE 182.A N PRO 178.A O no hydrogen 2.807 N/A PHE 183.A N LEU 179.A O no hydrogen 3.106 N/A GLN 184.A N PRO 180.A O no hydrogen 2.941 N/A ARG 185.A N ILE 181.A O no hydrogen 2.989 N/A ARG 185.A NE LYS 191.A O no hydrogen 2.665 N/A ARG 185.A NH2 LYS 191.A O no hydrogen 2.759 N/A LEU 186.A N PHE 182.A O no hydrogen 2.878 N/A SER 187.A N PHE 183.A O no hydrogen 2.982 N/A SER 187.A OG PHE 183.A O no hydrogen 2.977 N/A GLU 188.A N GLN 184.A O no hydrogen 3.061 N/A GLY 189.A N LEU 186.A O no hydrogen 3.369 N/A LYS 190.A N ARG 185.A O no hydrogen 2.754 N/A LYS 190.A NZ GLU 188.A OE1 no hydrogen 2.632 N/A CYS 192.A SG LYS 190.A O no hydrogen 3.956 N/A VAL 194.A N GLU 253.A O no hydrogen 2.568 N/A LYS 196.A N ARG 255.A O no hydrogen 2.923 N/A ARG 198.A NE ASP 230.A OD1 no hydrogen 2.944 N/A ARG 198.A NH2 ASP 230.A OD1 no hydrogen 2.937 N/A ARG 199.A N VAL 231.A O no hydrogen 2.704 N/A ARG 199.A NH1 ALA 262.A O no hydrogen 3.055 N/A ARG 199.A NH1 PRO 263.A O no hydrogen 3.342 N/A ARG 199.A NH2 ALA 262.A O no hydrogen 3.020 N/A VAL 202.A N ASN 168.A O no hydrogen 2.719 N/A VAL 204.A N VAL 170.A O no hydrogen 2.999 N/A LEU 207.A N PHE 203.A O no hydrogen 3.339 N/A ALA 208.A N VAL 204.A O no hydrogen 2.859 N/A ARG 209.A N LYS 205.A O no hydrogen 3.073 N/A ALA 210.A N ASP 206.A O no hydrogen 3.233 N/A THR 211.A N LEU 207.A O no hydrogen 2.834 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.891 N/A VAL 212.A N ALA 208.A O no hydrogen 2.992 N/A ARG 213.A N ARG 209.A O no hydrogen 3.363 N/A ARG 213.A NH2 PHE 276.A O no hydrogen 2.515 N/A ALA 214.A N ALA 210.A O no hydrogen 3.053 N/A VAL 215.A N THR 211.A O no hydrogen 2.845 N/A ASP 216.A N VAL 212.A O no hydrogen 3.141 N/A GLY 217.A N ALA 214.A O no hydrogen 3.161 N/A VAL 218.A N ARG 213.A O no hydrogen 2.929 N/A HIS 220.A N TYR 223.A OH no hydrogen 2.984 N/A HIS 220.A ND1 ASP 160.A OD1 no hydrogen 2.880 N/A GLY 221.A N PHE 161.A O no hydrogen 2.757 N/A TYR 223.A N THR 163.A O no hydrogen 2.803 N/A TYR 223.A OH ASP 275.A OD2 no hydrogen 2.733 N/A HIS 224.A ND1 ASP 268.A O no hydrogen 2.873 N/A HIS 224.A NE2 TYR 121.A OH no hydrogen 2.745 N/A PHE 225.A N ARG 165.A O no hydrogen 3.108 N/A SER 226.A OG ASP 200.A OD2 no hydrogen 2.755 N/A SER 227.A OG ASP 200.A OD1 no hydrogen 3.538 N/A SER 227.A OG THR 229.A OG1 no hydrogen 2.543 N/A GLY 228.A N SER 226.A OG no hydrogen 2.846 N/A THR 229.A N SER 227.A OG no hydrogen 3.144 N/A THR 229.A OG1 SER 227.A OG no hydrogen 2.543 N/A VAL 231.A N ARG 199.A O no hydrogen 2.823 N/A ALA 232.A N GLU 235.A OE2 no hydrogen 3.003 N/A ILE 233.A N ALA 197.A O no hydrogen 3.000 N/A LYS 234.A NZ ASP 238.A OD1 no hydrogen 3.277 N/A LYS 234.A NZ ASP 238.A OD2 no hydrogen 2.774 N/A LYS 234.A NZ TYR 249.A OH no hydrogen 3.055 N/A GLU 235.A N ALA 232.A O no hydrogen 3.157 N/A LEU 236.A N ALA 232.A O no hydrogen 3.368 N/A TYR 237.A N ILE 233.A O no hydrogen 2.891 N/A TYR 237.A OH PRO 250.A O no hydrogen 2.406 N/A ASP 238.A N LYS 234.A O no hydrogen 2.868 N/A ALA 239.A N GLU 235.A O no hydrogen 3.059 N/A VAL 240.A N LEU 236.A O no hydrogen 3.009 N/A VAL 241.A N TYR 237.A O no hydrogen 2.998 N/A GLU 242.A N ASP 238.A O no hydrogen 2.990 N/A ALA 243.A N ALA 239.A O no hydrogen 2.807 N/A MET 244.A N VAL 240.A O no hydrogen 2.908 N/A ALA 245.A N GLU 242.A O no hydrogen 3.051 N/A LEU 246.A N VAL 241.A O no hydrogen 3.513 N/A TYR 249.A OH ASP 238.A OD1 no hydrogen 2.426 N/A GLU 253.A N CYS 192.A O no hydrogen 2.851 N/A ARG 255.A N VAL 194.A O no hydrogen 3.001 N/A ARG 255.A NH1 THR 195.A OG1 no hydrogen 2.811 N/A ARG 255.A NH1 ASP 261.A OD2 no hydrogen 2.859 N/A ARG 255.A NH2 ASP 261.A OD2 no hydrogen 2.939 N/A GLY 258.A N ASP 261.A OD2 no hydrogen 2.688 N/A ASP 261.A N GLY 258.A O no hydrogen 2.987 N/A SER 264.A OG ARG 198.A O no hydrogen 3.234 N/A ILE 265.A N PRO 263.A O no hydrogen 2.786 N/A ASP 268.A N VAL 130.A O no hydrogen 2.783 N/A SER 270.A N ASP 268.A OD1 no hydrogen 3.142 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 3.566 N/A SER 270.A OG ASP 268.A OD2 no hydrogen 3.370 N/A ARG 271.A NH1 HIS 220.A O no hydrogen 2.885 N/A ARG 271.A NH1 ALA 222.A O no hydrogen 3.047 N/A ARG 271.A NH2 HIS 220.A O no hydrogen 3.046 N/A THR 272.A OG1 HIS 224.A O no hydrogen 2.473 N/A ILE 273.A N PRO 269.A O no hydrogen 3.082 N/A GLN 274.A N SER 270.A O no hydrogen 3.037 N/A GLN 274.A NE2 ASP 275.A OD1 no hydrogen 2.929 N/A GLN 274.A NE2 ASP 275.A OD2 no hydrogen 3.337 N/A ASP 275.A N ARG 271.A O no hydrogen 3.057 N/A PHE 276.A N THR 272.A O no hydrogen 2.613 N/A THR 282.A N ASP 206.A OD2 no hydrogen 2.907 N/A THR 282.A OG1 ASP 206.A OD1 no hydrogen 2.633 N/A THR 282.A OG1 ASP 206.A OD2 no hydrogen 3.425 N/A THR 287.A N PRO 283.A O no hydrogen 3.012 N/A THR 287.A OG1 PRO 283.A O no hydrogen 3.102 N/A VAL 288.A N LEU 284.A O no hydrogen 2.857 N/A ALA 289.A N LYS 285.A O no hydrogen 2.918 N/A ALA 290.A N GLU 286.A O no hydrogen 3.100 N/A ALA 291.A N THR 287.A O no hydrogen 3.107 N/A VAL 292.A N VAL 288.A O no hydrogen 2.894 N/A ALA 293.A N ALA 289.A O no hydrogen 3.053 N/A TYR 294.A N ALA 290.A O no hydrogen 3.189 N/A TYR 294.A OH HIS 41.A NE2 no hydrogen 2.575 N/A PHE 295.A N ALA 291.A O no hydrogen 2.922 N/A ARG 296.A N VAL 292.A O no hydrogen 2.798 N/A ARG 296.A NH1.A ALA 243.A O no hydrogen 3.523 N/A ARG 296.A NH2.A ALA 243.A O no hydrogen 3.142 N/A ARG 296.A NH2.B MET 244.A O no hydrogen 3.411 N/A GLU 297.A N ALA 293.A O no hydrogen 3.015 N/A TYR 298.A N TYR 294.A O no hydrogen 2.795 N/A GLY 299.A N PHE 295.A O no hydrogen 2.804 N/A