Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 20.A OD1 no hydrogen 2.687 N/A ARG 2.A N ASP 74.A OD2 no hydrogen 2.977 N/A ARG 2.A NH1 ASP 72.A O no hydrogen 3.290 N/A VAL 3.A N TYR 18.A O no hydrogen 2.926 N/A LEU 4.A N ALA 75.A O no hydrogen 2.976 N/A GLY 5.A N ALA 16.A O no hydrogen 2.727 N/A GLU 7.A N GLY 14.A O no hydrogen 2.827 N/A THR 8.A OG1 ALA 87.A O no hydrogen 2.859 N/A SER 9.A N GLU 7.A OE2 no hydrogen 3.099 N/A SER 9.A OG GLU 7.A OE2 no hydrogen 2.628 N/A THR 13.A N TYR 30.A O no hydrogen 2.971 N/A THR 13.A OG1 HIS 51.A ND1 no hydrogen 2.640 N/A GLY 14.A N GLU 7.A O no hydrogen 2.920 N/A ILE 15.A N GLN 28.A O no hydrogen 2.945 N/A ALA 16.A N GLY 5.A O no hydrogen 3.034 N/A ILE 17.A N ALA 26.A O no hydrogen 2.995 N/A TYR 18.A N VAL 3.A O no hydrogen 2.968 N/A ASP 19.A N GLY 23.A O no hydrogen 2.664 N/A ASP 20.A N MET 1.A O no hydrogen 2.989 N/A GLU 21.A N ASP 19.A OD1 no hydrogen 2.745 N/A LYS 22.A N ASP 19.A OD1 no hydrogen 3.040 N/A GLY 23.A N ASP 19.A O no hydrogen 2.720 N/A LEU 25.A N ILE 17.A O no hydrogen 2.950 N/A ASN 27.A N GLU 65.A OE1 no hydrogen 3.276 N/A GLN 28.A N ILE 15.A O no hydrogen 2.737 N/A GLN 28.A NE2 GLU 65.A OE1 no hydrogen 2.687 N/A TYR 30.A N THR 13.A O no hydrogen 2.881 N/A SER 31.A OG GLU 12.A OE2 no hydrogen 2.739 N/A GLN 32.A N ASP 11.A O no hydrogen 2.978 N/A GLN 32.A NE2 ALA 47.A O no hydrogen 3.364 N/A VAL 33.A N SER 31.A OG no hydrogen 3.391 N/A HIS 36.A N GLN 32.A O no hydrogen 3.239 N/A HIS 36.A N VAL 33.A O no hydrogen 3.182 N/A HIS 36.A NE2 GLN 32.A OE1 no hydrogen 2.664 N/A ALA 37.A N VAL 33.A O no hydrogen 2.802 N/A TYR 39.A N HIS 36.A O no hydrogen 3.001 N/A GLY 40.A N HIS 36.A O no hydrogen 3.212 N/A GLY 40.A N ALA 37.A O no hydrogen 3.036 N/A VAL 43.A N HIS 36.A ND1 no hydrogen 3.262 N/A ALA 47.A N VAL 43.A O no hydrogen 2.854 N/A SER 48.A N PRO 44.A O no hydrogen 2.939 N/A SER 48.A OG PRO 44.A O no hydrogen 2.974 N/A ARG 49.A N GLU 45.A O no hydrogen 3.130 N/A ARG 49.A NE GLU 45.A OE2 no hydrogen 2.700 N/A ARG 49.A NH2 GLU 45.A OE2 no hydrogen 3.521 N/A ASP 50.A N LEU 46.A O no hydrogen 3.122 N/A HIS 51.A N ALA 47.A O no hydrogen 3.129 N/A HIS 51.A ND1 THR 13.A OG1 no hydrogen 2.640 N/A HIS 51.A NE2 CYS 10.A O no hydrogen 2.700 N/A VAL 52.A N SER 48.A O no hydrogen 3.387 N/A ARG 53.A N ARG 49.A O no hydrogen 3.441 N/A ARG 53.A NH1 ASP 50.A OD1 no hydrogen 2.681 N/A LYS 54.A N HIS 51.A O no hydrogen 3.070 N/A THR 55.A N HIS 51.A O no hydrogen 2.930 N/A THR 55.A OG1 HIS 51.A O no hydrogen 2.838 N/A LEU 58.A N LYS 54.A O no hydrogen 2.983 N/A ILE 59.A N THR 55.A O no hydrogen 3.031 N/A GLN 60.A N VAL 56.A O no hydrogen 2.996 N/A ALA 61.A N PRO 57.A O no hydrogen 2.962 N/A ALA 62.A N LEU 58.A O no hydrogen 2.929 N/A LEU 63.A N ILE 59.A O no hydrogen 3.047 N/A LYS 64.A N GLN 60.A O no hydrogen 2.999 N/A GLU 65.A N ALA 61.A O no hydrogen 2.710 N/A SER 66.A N ALA 62.A O no hydrogen 2.983 N/A SER 66.A OG ALA 62.A O no hydrogen 3.095 N/A SER 66.A OG LEU 63.A O no hydrogen 3.204 N/A GLY 67.A N LYS 64.A O no hydrogen 3.051 N/A LEU 68.A N LEU 63.A O no hydrogen 3.163 N/A THR 69.A N ASP 72.A OD2 no hydrogen 2.764 N/A THR 69.A OG1 ASP 72.A OD2 no hydrogen 3.154 N/A ASP 72.A N THR 69.A O no hydrogen 2.721 N/A ILE 73.A N ALA 70.A O no hydrogen 3.170 N/A ASP 74.A N ARG 2.A O no hydrogen 2.996 N/A VAL 76.A N PRO 105.A O no hydrogen 2.983 N/A ALA 77.A N LEU 4.A O no hydrogen 2.705 N/A TYR 78.A N ILE 107.A O no hydrogen 2.984 N/A THR 79.A N ILE 6.A O no hydrogen 3.014 N/A THR 79.A OG1 GLU 7.A OE1 no hydrogen 2.733 N/A ALA 80.A N VAL 109.A O no hydrogen 2.892 N/A GLY 83.A N PRO 327.A O no hydrogen 2.924 N/A LEU 84.A N SER 9.A O no hydrogen 3.067 N/A LEU 88.A N LEU 84.A O no hydrogen 2.925 N/A LEU 89.A N GLU 85.A O no hydrogen 2.963 N/A VAL 90.A N ALA 87.A O no hydrogen 3.074 N/A GLY 91.A N THR 8.A OG1 no hydrogen 2.963 N/A ALA 92.A N LEU 88.A O no hydrogen 3.004 N/A THR 93.A N LEU 89.A O no hydrogen 2.985 N/A THR 93.A OG1 LEU 89.A O no hydrogen 2.787 N/A THR 93.A OG1 VAL 90.A O no hydrogen 3.263 N/A VAL 94.A N VAL 90.A O no hydrogen 3.070 N/A GLY 95.A N GLY 91.A O no hydrogen 2.830 N/A ARG 96.A N ALA 92.A O no hydrogen 2.840 N/A ARG 96.A NE ASP 320.A O no hydrogen 2.904 N/A ARG 96.A NH1 ARG 96.A O no hydrogen 3.025 N/A SER 97.A N THR 93.A O no hydrogen 3.153 N/A SER 97.A OG THR 93.A O no hydrogen 2.657 N/A SER 97.A OG VAL 94.A O no hydrogen 3.161 N/A LEU 98.A N VAL 94.A O no hydrogen 2.817 N/A ALA 99.A N GLY 95.A O no hydrogen 3.020 N/A PHE 100.A N ARG 96.A O no hydrogen 3.213 N/A ALA 101.A N SER 97.A O no hydrogen 2.897 N/A TRP 102.A N LEU 98.A O no hydrogen 2.821 N/A ASP 103.A N PHE 100.A O no hydrogen 3.050 N/A VAL 104.A N ALA 99.A O no hydrogen 2.861 N/A ILE 107.A N VAL 76.A O no hydrogen 2.756 N/A VAL 109.A N TYR 78.A O no hydrogen 2.799 N/A HIS 110.A NE2 TRP 329.A O no hydrogen 2.700 N/A HIS 111.A N GLY 81.A O no hydrogen 2.654 N/A HIS 111.A ND1 GLU 7.A OE1 no hydrogen 3.116 N/A MET 112.A N HIS 110.A ND1 no hydrogen 3.074 N/A GLU 113.A N HIS 110.A ND1 no hydrogen 3.379 N/A GLY 114.A N HIS 110.A O no hydrogen 2.970 N/A HIS 115.A N HIS 111.A O no hydrogen 3.176 N/A LEU 116.A N MET 112.A O no hydrogen 2.884 N/A LEU 117.A N GLU 113.A O no hydrogen 3.075 N/A LEU 117.A N GLY 114.A O no hydrogen 3.349 N/A ALA 118.A N HIS 115.A O no hydrogen 3.187 N/A MET 120.A N LEU 117.A O no hydrogen 2.841 N/A LEU 121.A N ALA 118.A O no hydrogen 2.946 N/A GLU 122.A N PRO 119.A O no hydrogen 3.443 N/A PHE 130.A N VAL 145.A O no hydrogen 2.864 N/A VAL 131.A N ARG 262.A O no hydrogen 3.060 N/A ALA 132.A N ILE 143.A O no hydrogen 2.783 N/A LEU 133.A N VAL 264.A O no hydrogen 2.758 N/A LEU 134.A N GLN 141.A O no hydrogen 2.922 N/A VAL 135.A N ALA 266.A O no hydrogen 2.871 N/A SER 136.A N HIS 139.A O no hydrogen 2.848 N/A SER 136.A OG HIS 139.A O no hydrogen 3.434 N/A HIS 139.A N SER 136.A OG no hydrogen 3.236 N/A THR 140.A OG1 HIS 139.A O no hydrogen 2.874 N/A GLN 141.A N LEU 134.A O no hydrogen 2.872 N/A GLN 141.A NE2 GLU 156.A OE1 no hydrogen 3.460 N/A LEU 142.A N GLY 155.A O no hydrogen 3.003 N/A ILE 143.A N ALA 132.A O no hydrogen 2.941 N/A SER 144.A N GLU 152.A O no hydrogen 2.869 N/A VAL 145.A N PHE 130.A O no hydrogen 2.830 N/A THR 146.A N GLN 150.A O no hydrogen 3.334 N/A THR 146.A OG1 GLN 150.A OE1 no hydrogen 3.089 N/A GLN 150.A N GLY 147.A O no hydrogen 2.963 N/A TYR 151.A OH GLU 113.A OE2 no hydrogen 2.661 N/A GLU 152.A N SER 144.A O no hydrogen 3.124 N/A LEU 154.A N LEU 142.A O no hydrogen 2.740 N/A GLY 155.A N LEU 142.A O no hydrogen 3.334 N/A GLU 156.A N ASP 208.A OD1 no hydrogen 2.953 N/A SER 157.A N THR 140.A O no hydrogen 3.128 N/A SER 157.A OG ASP 160.A O no hydrogen 2.659 N/A ILE 158.A N PHE 209.A O no hydrogen 2.830 N/A ASP 159.A N SER 157.A OG no hydrogen 3.267 N/A ASP 160.A N ASP 159.A OD1 no hydrogen 2.309 N/A ALA 162.A N THR 140.A OG1 no hydrogen 2.878 N/A GLY 163.A N SER 136.A O no hydrogen 3.104 N/A ALA 165.A N ALA 161.A O no hydrogen 3.125 N/A PHE 166.A N ALA 162.A O no hydrogen 3.043 N/A ASP 167.A N GLY 163.A O no hydrogen 3.032 N/A LYS 168.A N GLU 164.A O no hydrogen 2.738 N/A THR 169.A N ALA 165.A O no hydrogen 3.061 N/A THR 169.A OG1 ALA 165.A O no hydrogen 3.247 N/A ALA 170.A N PHE 166.A O no hydrogen 2.833 N/A LYS 171.A N ASP 167.A O no hydrogen 3.020 N/A LEU 172.A N LYS 168.A O no hydrogen 3.120 N/A LEU 173.A N THR 169.A O no hydrogen 3.019 N/A GLY 174.A N LYS 171.A O no hydrogen 2.676 N/A LEU 175.A N ALA 170.A O no hydrogen 2.940 N/A GLY 180.A N ASP 167.A OD1 no hydrogen 3.320 N/A LEU 183.A N GLY 179.A O no hydrogen 2.554 N/A SER 184.A N GLY 180.A O no hydrogen 3.035 N/A SER 184.A OG GLU 240.A OE2 no hydrogen 2.785 N/A LYS 185.A N PRO 181.A O no hydrogen 2.979 N/A MET 186.A N LEU 182.A O no hydrogen 2.941 N/A ALA 187.A N LEU 183.A O no hydrogen 2.803 N/A GLN 189.A N MET 186.A O no hydrogen 3.074 N/A GLY 190.A N ALA 187.A O no hydrogen 3.050 N/A THR 191.A N ASP 234.A OD1 no hydrogen 2.774 N/A THR 191.A OG1 ALA 192.A O no hydrogen 3.551 N/A ARG 194.A N THR 191.A O no hydrogen 3.363 N/A ARG 199.A NH1 PHE 197.A O no hydrogen 2.793 N/A ARG 199.A NH2 ASP 245.A OD2 no hydrogen 2.552 N/A THR 202.A OG1 ARG 199.A O no hydrogen 2.621 N/A PHE 209.A N GLU 156.A O no hydrogen 2.890 N/A SER 210.A OG ASP 159.A OD2 no hydrogen 2.840 N/A PHE 211.A N ASP 159.A OD1 no hydrogen 2.945 N/A LYS 215.A N PHE 211.A O no hydrogen 3.190 N/A THR 216.A N SER 212.A O no hydrogen 3.378 N/A PHE 217.A N GLY 213.A O no hydrogen 2.975 N/A ALA 218.A N LEU 214.A O no hydrogen 3.043 N/A ALA 219.A N LYS 215.A O no hydrogen 2.867 N/A ASN 220.A N THR 216.A O no hydrogen 2.803 N/A THR 221.A N PHE 217.A O no hydrogen 3.190 N/A THR 221.A OG1 PHE 217.A O no hydrogen 3.008 N/A ILE 222.A N ALA 218.A O no hydrogen 2.870 N/A ARG 223.A N ALA 219.A O no hydrogen 3.145 N/A ARG 223.A NH1 ASN 220.A OD1 no hydrogen 2.741 N/A ASP 224.A N ASN 220.A O no hydrogen 3.160 N/A ASP 224.A N THR 221.A O no hydrogen 3.300 N/A ASN 225.A ND2 THR 221.A O no hydrogen 2.450 N/A GLN 230.A NE2 GLN 189.A O no hydrogen 3.477 N/A THR 231.A N ASP 228.A OD1 no hydrogen 2.980 N/A THR 231.A OG1 ASP 228.A OD1 no hydrogen 3.568 N/A THR 231.A OG1 ASP 228.A OD2 no hydrogen 2.944 N/A ARG 232.A N ASP 228.A O no hydrogen 3.121 N/A ALA 233.A N ASP 229.A O no hydrogen 3.147 N/A ASP 234.A N GLN 230.A O no hydrogen 3.023 N/A ILE 235.A N THR 231.A O no hydrogen 3.040 N/A ALA 236.A N ARG 232.A O no hydrogen 3.047 N/A ARG 237.A N ALA 233.A O no hydrogen 3.021 N/A ARG 237.A NE ASP 241.A OD2 no hydrogen 3.470 N/A ARG 237.A NH1 GLY 190.A O no hydrogen 2.903 N/A ALA 238.A N ASP 234.A O no hydrogen 3.155 N/A PHE 239.A N ILE 235.A O no hydrogen 3.027 N/A GLU 240.A N ALA 236.A O no hydrogen 2.954 N/A ASP 241.A N ARG 237.A O no hydrogen 2.807 N/A ALA 242.A N ALA 238.A O no hydrogen 2.824 N/A VAL 243.A N PHE 239.A O no hydrogen 2.936 N/A VAL 244.A N GLU 240.A O no hydrogen 2.828 N/A ASP 245.A N ASP 241.A O no hydrogen 3.025 N/A THR 246.A N ALA 242.A O no hydrogen 3.000 N/A THR 246.A OG1 ALA 242.A O no hydrogen 2.838 N/A LEU 247.A N VAL 243.A O no hydrogen 2.955 N/A MET 248.A N VAL 244.A O no hydrogen 3.009 N/A ILE 249.A N ASP 245.A O no hydrogen 2.846 N/A LYS 250.A N THR 246.A O no hydrogen 3.039 N/A LYS 250.A NZ MET 201.A O no hydrogen 2.599 N/A LYS 250.A NZ GLY 206.A O no hydrogen 2.867 N/A LYS 250.A NZ ASP 208.A O no hydrogen 3.072 N/A CYS 251.A N LEU 247.A O no hydrogen 2.908 N/A CYS 251.A SG LEU 247.A O no hydrogen 3.206 N/A LYS 252.A N MET 248.A O no hydrogen 2.932 N/A ARG 253.A N ILE 249.A O no hydrogen 3.010 N/A ARG 253.A NH1 ARG 204.A O no hydrogen 2.859 N/A ARG 253.A NH1 GLY 206.A O no hydrogen 3.143 N/A ARG 253.A NH2 THR 202.A O no hydrogen 2.552 N/A ARG 253.A NH2 ARG 204.A O no hydrogen 3.442 N/A ALA 254.A N LYS 250.A O no hydrogen 3.012 N/A LEU 255.A N CYS 251.A O no hydrogen 2.843 N/A ASP 256.A N LYS 252.A O no hydrogen 2.875 N/A GLN 257.A N ARG 253.A O no hydrogen 2.949 N/A THR 258.A N ALA 254.A O no hydrogen 3.013 N/A THR 258.A OG1 ALA 254.A O no hydrogen 2.899 N/A THR 258.A OG1 LEU 255.A O no hydrogen 3.345 N/A GLY 259.A N LEU 255.A O no hydrogen 2.759 N/A PHE 260.A N THR 258.A OG1 no hydrogen 3.124 N/A ARG 262.A NH1 PRO 129.A O no hydrogen 3.184 N/A LEU 263.A N GLU 289.A O no hydrogen 2.910 N/A VAL 264.A N VAL 131.A O no hydrogen 2.869 N/A MET 265.A N PHE 291.A O no hydrogen 2.962 N/A ALA 266.A N LEU 133.A O no hydrogen 2.846 N/A VAL 269.A N VAL 135.A O no hydrogen 2.884 N/A SER 270.A N GLY 267.A O no hydrogen 3.069 N/A SER 270.A OG GLY 267.A O no hydrogen 2.666 N/A ALA 271.A N GLY 268.A O no hydrogen 3.128 N/A ASN 272.A N VAL 269.A O no hydrogen 2.844 N/A ASN 272.A ND2 GLU 240.A OE2 no hydrogen 2.717 N/A ARG 273.A NH1 ALA 271.A O no hydrogen 2.649 N/A THR 274.A OG1 GLU 240.A OE1 no hydrogen 2.769 N/A LEU 275.A N ASN 272.A OD1 no hydrogen 2.917 N/A ARG 276.A N ASN 272.A O no hydrogen 3.046 N/A ARG 276.A NH1 SER 270.A O no hydrogen 2.917 N/A ARG 276.A NH1 ALA 293.A O no hydrogen 2.985 N/A ARG 276.A NH2 ALA 293.A O no hydrogen 2.809 N/A ALA 277.A N ARG 273.A O no hydrogen 3.072 N/A LYS 278.A N THR 274.A O no hydrogen 2.878 N/A LYS 278.A NZ ASP 245.A OD1 no hydrogen 2.800 N/A LEU 279.A N LEU 275.A O no hydrogen 2.885 N/A ALA 280.A N ARG 276.A O no hydrogen 2.951 N/A GLU 281.A N ALA 277.A O no hydrogen 2.944 N/A MET 282.A N LYS 278.A O no hydrogen 3.007 N/A MET 283.A N LEU 279.A O no hydrogen 3.093 N/A LYS 284.A N ALA 280.A O no hydrogen 3.022 N/A LYS 285.A N GLU 281.A O no hydrogen 3.124 N/A ARG 286.A N MET 282.A O no hydrogen 2.995 N/A ARG 286.A NH1 ASP 256.A OD1 no hydrogen 3.019 N/A ARG 286.A NH2 ASP 256.A OD1 no hydrogen 2.699 N/A ARG 287.A N LYS 284.A O no hydrogen 2.839 N/A GLY 288.A N MET 283.A O no hydrogen 2.720 N/A GLU 289.A N LYS 261.A O no hydrogen 2.930 N/A PHE 291.A N LEU 263.A O no hydrogen 2.814 N/A ARG 294.A N GLU 122.A OE2 no hydrogen 2.992 N/A ARG 294.A NE GLU 122.A OE1 no hydrogen 3.491 N/A ARG 294.A NE GLU 122.A OE2 no hydrogen 2.998 N/A ARG 294.A NH2 GLU 122.A OE1 no hydrogen 3.242 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.951 N/A PHE 297.A N ARG 294.A O no hydrogen 2.834 N/A CYS 298.A N PRO 295.A O no hydrogen 3.028 N/A CYS 298.A SG SER 270.A OG no hydrogen 3.092 N/A CYS 298.A SG ALA 293.A O no hydrogen 3.634 N/A CYS 298.A SG ARG 294.A O no hydrogen 3.646 N/A ASN 301.A ND2 PHE 297.A O no hydrogen 3.191 N/A ASN 301.A ND2 THR 299.A O no hydrogen 2.766 N/A MET 304.A N ASN 301.A OD1 no hydrogen 2.715 N/A ILE 305.A N GLY 302.A O no hydrogen 3.053 N/A ALA 306.A N GLY 302.A O no hydrogen 2.984 N/A TYR 307.A N ALA 303.A O no hydrogen 3.076 N/A ALA 308.A N MET 304.A O no hydrogen 3.051 N/A GLY 309.A N ILE 305.A O no hydrogen 2.952 N/A MET 310.A N ALA 306.A O no hydrogen 3.165 N/A VAL 311.A N TYR 307.A O no hydrogen 2.984 N/A ARG 312.A N ALA 308.A O no hydrogen 2.863 N/A ARG 312.A NE GLU 113.A OE1 no hydrogen 2.982 N/A PHE 313.A N GLY 309.A O no hydrogen 2.832 N/A LYS 314.A N MET 310.A O no hydrogen 3.080 N/A LYS 314.A NZ ASP 20.A OD2 no hydrogen 2.709 N/A ALA 315.A N VAL 311.A O no hydrogen 3.089 N/A GLY 316.A N PHE 313.A O no hydrogen 2.920 N/A ALA 317.A N ARG 312.A O no hydrogen 2.937 N/A ALA 319.A N ALA 106.A O no hydrogen 2.825 N/A ARG 326.A N ALA 80.A O no hydrogen 2.728 N/A