Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wq3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ALA 26.A O no hydrogen 2.808 N/A LEU 6.A N SER 4.A OG no hydrogen 3.331 N/A GLN 9.A N ASN 5.A O no hydrogen 2.874 N/A LEU 10.A N LEU 6.A O no hydrogen 3.017 N/A GLN 11.A N ILE 7.A O no hydrogen 2.790 N/A GLN 11.A NE2 GLU 22.A OE1 no hydrogen 3.296 N/A GLU 12.A N LYS 8.A O no hydrogen 2.932 N/A ARG 13.A N LEU 10.A O no hydrogen 2.987 N/A ARG 13.A NH1 LYS 273.A O no hydrogen 3.228 N/A ARG 13.A NH1 MET 278.A O no hydrogen 2.929 N/A ARG 13.A NH2 MET 278.A O no hydrogen 2.374 N/A GLY 14.A N GLN 11.A O no hydrogen 2.665 N/A LEU 15.A N LEU 10.A O no hydrogen 2.967 N/A ALA 17.A N THR 224.A O no hydrogen 2.726 N/A GLN 18.A N THR 224.A OG1 no hydrogen 3.162 N/A THR 20.A N GLY 222.A O no hydrogen 3.020 N/A THR 20.A OG1 GLY 222.A O no hydrogen 3.497 N/A ALA 24.A N ASP 21.A OD1 no hydrogen 3.056 N/A LEU 25.A N ASP 21.A O no hydrogen 2.900 N/A ALA 26.A N GLU 22.A O no hydrogen 2.869 N/A GLU 27.A N GLU 23.A O no hydrogen 3.076 N/A ARG 28.A N ALA 24.A O no hydrogen 2.944 N/A ARG 28.A NH1 ARG 28.A O no hydrogen 2.921 N/A LEU 29.A N LEU 25.A O no hydrogen 2.833 N/A ALA 30.A N ALA 26.A O no hydrogen 3.187 N/A ALA 30.A N GLU 27.A O no hydrogen 3.135 N/A GLN 31.A N GLU 27.A O no hydrogen 3.179 N/A GLN 31.A N ARG 28.A O no hydrogen 2.974 N/A GLN 31.A NE2 GLU 27.A O no hydrogen 3.247 N/A ILE 34.A N HIS 66.A ND1 no hydrogen 3.066 N/A LEU 36.A N LYS 67.A O no hydrogen 2.863 N/A VAL 37.A N LEU 194.A O no hydrogen 2.905 N/A CYS 38.A N VAL 69.A O no hydrogen 3.108 N/A CYS 38.A SG PRO 54.A O no hydrogen 4.034 N/A CYS 38.A SG ILE 196.A O no hydrogen 3.537 N/A PHE 40.A N LEU 71.A O no hydrogen 2.793 N/A THR 43.A N ASP 41.A O no hydrogen 2.837 N/A SER 46.A OG LEU 47.A O no hydrogen 2.647 N/A LEU 47.A N GLN 107.A OE1 no hydrogen 2.796 N/A HIS 48.A N HIS 51.A ND1 no hydrogen 2.936 N/A LEU 49.A N VAL 244.A O no hydrogen 2.920 N/A GLY 50.A N HIS 48.A ND1 no hydrogen 2.872 N/A HIS 51.A N HIS 48.A O no hydrogen 2.833 N/A LEU 52.A N LEU 49.A O no hydrogen 3.125 N/A LEU 55.A N HIS 51.A O no hydrogen 3.246 N/A LEU 56.A N LEU 52.A O no hydrogen 2.863 N/A CYS 57.A N VAL 53.A O no hydrogen 2.832 N/A LEU 58.A N PRO 54.A O no hydrogen 2.993 N/A LYS 59.A N LEU 55.A O no hydrogen 3.194 N/A LYS 59.A NZ PHE 111.A O no hydrogen 3.091 N/A ARG 60.A N LEU 56.A O no hydrogen 2.794 N/A ARG 60.A NH1 THR 276.A O no hydrogen 2.938 N/A ARG 60.A NH2 PHE 274.A O no hydrogen 2.994 N/A ARG 60.A NH2 THR 276.A O no hydrogen 2.786 N/A PHE 61.A N CYS 57.A O no hydrogen 3.036 N/A GLN 62.A N LEU 58.A O no hydrogen 3.030 N/A GLN 62.A NE2 ASP 113.A O no hydrogen 2.874 N/A GLN 62.A NE2 ASN 119.A O no hydrogen 2.900 N/A GLN 63.A N LYS 59.A O no hydrogen 2.827 N/A ALA 64.A N ARG 60.A O no hydrogen 3.059 N/A ALA 64.A N PHE 61.A O no hydrogen 2.909 N/A GLY 65.A N GLN 62.A O no hydrogen 2.745 N/A HIS 66.A N PHE 61.A O no hydrogen 3.118 N/A LYS 67.A N ILE 34.A O no hydrogen 2.667 N/A VAL 69.A N LEU 36.A O no hydrogen 2.802 N/A ALA 70.A N ILE 122.A O no hydrogen 2.791 N/A LEU 71.A N CYS 38.A O no hydrogen 2.933 N/A VAL 72.A N ALA 124.A O no hydrogen 2.859 N/A GLY 73.A N PHE 40.A O no hydrogen 2.815 N/A GLY 74.A N VAL 72.A O no hydrogen 2.989 N/A GLY 74.A N ASN 125.A OD1 no hydrogen 3.054 N/A ALA 75.A N ASN 126.A OD1 no hydrogen 2.781 N/A THR 76.A N ASN 126.A OD1 no hydrogen 3.425 N/A THR 76.A OG1 ASP 41.A OD2 no hydrogen 2.667 N/A GLY 77.A N GLY 73.A O no hydrogen 2.700 N/A LEU 78.A N ALA 75.A O no hydrogen 2.910 N/A ILE 79.A N THR 76.A O no hydrogen 3.001 N/A GLY 80.A N THR 76.A O no hydrogen 2.989 N/A SER 83.A N ASP 81.A OD2 no hydrogen 2.841 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 3.492 N/A SER 83.A OG ASP 81.A OD2 no hydrogen 2.385 N/A PHE 84.A N ALA 156.A O no hydrogen 2.858 N/A LYS 85.A N PRO 82.A O no hydrogen 2.838 N/A LYS 85.A NZ SER 83.A O no hydrogen 2.919 N/A ARG 89.A N GLU 172.A OE1 no hydrogen 2.552 N/A ARG 89.A NH1 ASP 81.A O no hydrogen 2.583 N/A THR 93.A OG1 GLU 95.A OE1 no hydrogen 3.385 N/A THR 93.A OG1 THR 96.A OG1 no hydrogen 3.156 N/A THR 96.A N THR 93.A OG1 no hydrogen 3.309 N/A THR 96.A OG1 THR 93.A OG1 no hydrogen 3.156 N/A VAL 97.A N THR 93.A O no hydrogen 3.043 N/A GLN 98.A N GLU 94.A O no hydrogen 3.017 N/A GLU 99.A N GLU 95.A O no hydrogen 3.231 N/A TRP 100.A N THR 96.A O no hydrogen 2.890 N/A VAL 101.A N VAL 97.A O no hydrogen 2.666 N/A ASP 102.A N GLN 98.A O no hydrogen 3.246 N/A LYS 103.A N GLU 99.A O no hydrogen 3.101 N/A ILE 104.A N TRP 100.A O no hydrogen 2.842 N/A ARG 105.A N VAL 101.A O no hydrogen 2.941 N/A ARG 105.A NH1 ASP 102.A OD2 no hydrogen 2.690 N/A LYS 106.A N ASP 102.A O no hydrogen 3.141 N/A GLN 107.A N LYS 103.A O no hydrogen 2.973 N/A GLN 107.A NE2 SER 46.A OG no hydrogen 2.989 N/A VAL 108.A N ILE 104.A O no hydrogen 2.832 N/A ALA 109.A N ARG 105.A O no hydrogen 3.052 N/A PHE 111.A N VAL 108.A O no hydrogen 2.970 N/A LEU 112.A N ALA 109.A O no hydrogen 2.929 N/A ASP 113.A N GLN 62.A OE1 no hydrogen 2.908 N/A ASP 115.A N ASP 113.A OD2 no hydrogen 2.668 N/A CYS 116.A N SER 120.A OG no hydrogen 3.201 N/A CYS 116.A SG ASP 113.A O no hydrogen 3.999 N/A CYS 116.A SG ASN 119.A OD1 no hydrogen 2.985 N/A ASN 119.A ND2 HIS 66.A O no hydrogen 3.162 N/A SER 120.A N GLY 117.A O no hydrogen 3.277 N/A SER 120.A OG GLY 117.A O no hydrogen 2.951 N/A ALA 121.A N ASP 113.A O no hydrogen 2.837 N/A ILE 122.A N PRO 68.A O no hydrogen 3.036 N/A ALA 124.A N ALA 70.A O no hydrogen 3.000 N/A ASN 126.A ND2 THR 76.A OG1 no hydrogen 2.906 N/A ASN 126.A ND2 ASP 182.A OD1 no hydrogen 2.721 N/A TYR 127.A N ASN 125.A OD1 no hydrogen 2.921 N/A TYR 127.A OH GLU 94.A OE2 no hydrogen 2.866 N/A ASP 128.A N ASN 125.A O no hydrogen 2.921 N/A TRP 129.A N ASN 126.A O no hydrogen 3.258 N/A TRP 129.A NE1 ASP 182.A OD2 no hydrogen 2.756 N/A PHE 130.A N ASN 126.A O no hydrogen 2.992 N/A GLY 131.A N TYR 127.A O no hydrogen 2.883 N/A MET 133.A N PHE 130.A O no hydrogen 3.129 N/A THR 137.A N ASN 134.A OD1 no hydrogen 3.004 N/A THR 137.A OG1 ASN 134.A OD1 no hydrogen 2.904 N/A PHE 138.A N ASN 134.A O no hydrogen 3.076 N/A LEU 139.A N VAL 135.A O no hydrogen 2.892 N/A ARG 140.A N LEU 136.A O no hydrogen 3.058 N/A ASP 141.A N THR 137.A O no hydrogen 2.795 N/A ILE 142.A N PHE 138.A O no hydrogen 3.036 N/A GLY 143.A N PHE 138.A O no hydrogen 2.880 N/A LYS 144.A N ARG 140.A O no hydrogen 3.283 N/A HIS 145.A N ILE 142.A O no hydrogen 3.128 N/A PHE 146.A N GLY 143.A O no hydrogen 3.252 N/A ASN 149.A ND2 SER 147.A OG no hydrogen 3.382 N/A GLN 150.A N SER 147.A OG no hydrogen 3.224 N/A MET 151.A N SER 147.A O no hydrogen 2.984 N/A ILE 152.A N VAL 148.A O no hydrogen 2.918 N/A ASN 153.A N GLN 150.A O no hydrogen 3.224 N/A LYS 154.A N MET 151.A O no hydrogen 3.146 N/A LYS 154.A NZ GLY 203.A O no hydrogen 2.893 N/A VAL 157.A N LYS 154.A O no hydrogen 3.202 N/A LYS 158.A N LYS 154.A O no hydrogen 2.996 N/A ARG 160.A N VAL 157.A O no hydrogen 2.870 N/A ARG 160.A NE GLY 167.A O no hydrogen 2.751 N/A ARG 160.A NH1 LYS 85.A O no hydrogen 3.036 N/A ARG 160.A NH2 GLU 88.A OE2 no hydrogen 2.992 N/A ARG 160.A NH2 GLY 167.A O no hydrogen 3.551 N/A ARG 160.A NH2 GLU 172.A OE2 no hydrogen 2.843 N/A LEU 161.A N VAL 157.A O no hydrogen 3.339 N/A LEU 161.A N LYS 158.A O no hydrogen 3.077 N/A ASN 162.A N LYS 158.A O no hydrogen 2.943 N/A ARG 163.A N GLN 159.A O no hydrogen 3.062 N/A ARG 163.A NH1 GLN 166.A OE1 no hydrogen 3.078 N/A GLN 166.A N GLU 164.A O no hydrogen 2.477 N/A SER 169.A N GLU 88.A OE2 no hydrogen 3.087 N/A SER 169.A OG GLU 88.A OE1 no hydrogen 2.420 N/A GLU 172.A N SER 169.A OG no hydrogen 3.067 N/A PHE 173.A N SER 169.A O no hydrogen 3.033 N/A SER 174.A N PHE 170.A O no hydrogen 2.946 N/A SER 174.A N THR 171.A O no hydrogen 3.319 N/A SER 174.A OG PHE 170.A O no hydrogen 2.753 N/A TYR 175.A N GLU 172.A O no hydrogen 3.128 N/A TYR 175.A OH ASP 41.A OD1 no hydrogen 2.465 N/A ASN 176.A ND2 SER 207.A OG no hydrogen 2.697 N/A LEU 177.A N SER 174.A O no hydrogen 2.911 N/A GLN 179.A N TYR 175.A O no hydrogen 3.011 N/A GLN 179.A NE2 GLN 201.A OE1 no hydrogen 3.106 N/A GLY 180.A N ASN 176.A O no hydrogen 2.897 N/A TYR 181.A N LEU 177.A O no hydrogen 2.965 N/A ASP 182.A N LEU 178.A O no hydrogen 3.027 N/A PHE 183.A N GLN 179.A O no hydrogen 3.428 N/A PHE 183.A N GLY 180.A O no hydrogen 3.256 N/A ALA 184.A N GLY 180.A O no hydrogen 3.450 N/A CYS 185.A N TYR 181.A O no hydrogen 2.817 N/A LEU 186.A N ASP 182.A O no hydrogen 2.888 N/A ASN 187.A N PHE 183.A O no hydrogen 2.908 N/A ASN 187.A ND2 ASN 218.A OD1 no hydrogen 2.837 N/A LYS 188.A N ALA 184.A O no hydrogen 2.834 N/A GLN 189.A N CYS 185.A O no hydrogen 2.896 N/A TYR 190.A N LEU 186.A O no hydrogen 2.933 N/A GLY 191.A N ASN 187.A O no hydrogen 2.936 N/A VAL 192.A N LEU 186.A O no hydrogen 3.176 N/A VAL 193.A N ALA 35.A O no hydrogen 3.209 N/A CYS 195.A N PHE 221.A O no hydrogen 2.849 N/A CYS 195.A SG VAL 37.A O no hydrogen 4.002 N/A CYS 195.A SG ILE 196.A O no hydrogen 3.833 N/A ILE 196.A N VAL 37.A O no hydrogen 2.903 N/A GLY 197.A N LEU 223.A O no hydrogen 2.970 N/A GLN 201.A N GLY 198.A O no hydrogen 2.957 N/A GLN 201.A NE2 ASP 81.A OD1 no hydrogen 2.660 N/A GLN 201.A NE2 ASP 200.A OD1 no hydrogen 3.323 N/A ASN 204.A ND2 ASP 81.A OD2 no hydrogen 3.405 N/A ASN 204.A ND2 GLN 201.A OE1 no hydrogen 3.074 N/A ILE 205.A N GLN 201.A O no hydrogen 2.886 N/A THR 206.A N TRP 202.A O no hydrogen 2.814 N/A THR 206.A OG1 TRP 202.A O no hydrogen 3.161 N/A THR 206.A OG1 GLY 203.A O no hydrogen 3.221 N/A SER 207.A N GLY 203.A O no hydrogen 3.105 N/A SER 207.A OG GLY 203.A O no hydrogen 3.167 N/A GLY 208.A N ASN 204.A O no hydrogen 3.188 N/A ILE 209.A N ILE 205.A O no hydrogen 2.953 N/A ASP 210.A N THR 206.A O no hydrogen 2.907 N/A LEU 211.A N SER 207.A O no hydrogen 2.947 N/A THR 212.A N GLY 208.A O no hydrogen 2.904 N/A THR 212.A OG1 GLY 208.A O no hydrogen 2.826 N/A ARG 213.A N ILE 209.A O no hydrogen 2.978 N/A ARG 214.A N ASP 210.A O no hydrogen 2.824 N/A LEU 215.A N LEU 211.A O no hydrogen 2.742 N/A HIS 216.A N THR 212.A O no hydrogen 2.782 N/A GLN 217.A N ARG 213.A O no hydrogen 2.795 N/A PHE 221.A N VAL 193.A O no hydrogen 2.840 N/A GLY 222.A N THR 20.A OG1 no hydrogen 2.979 N/A LEU 223.A N CYS 195.A O no hydrogen 2.911 N/A THR 224.A N GLN 18.A O no hydrogen 2.922 N/A VAL 225.A N GLY 197.A O no hydrogen 2.919 N/A LYS 230.A NZ THR 234.A OG1 no hydrogen 2.907 N/A ALA 231.A N ASP 267.A OD1 no hydrogen 2.807 N/A GLY 233.A N LYS 230.A O no hydrogen 2.871 N/A THR 234.A N ASP 232.A OD1 no hydrogen 2.773 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.793 N/A THR 234.A OG1 ASP 232.A OD2 no hydrogen 3.428 N/A THR 239.A N GLY 242.A O no hydrogen 2.912 N/A THR 239.A OG1 GLY 242.A O no hydrogen 2.892 N/A GLY 241.A N GLU 240.A OE2 no hydrogen 2.841 N/A GLY 242.A N THR 239.A O no hydrogen 2.947 N/A TRP 245.A N THR 251.A OG1 no hydrogen 2.922 N/A LEU 246.A N LEU 47.A O no hydrogen 2.979 N/A LYS 249.A N ASP 247.A OD2 no hydrogen 2.876 N/A LYS 250.A N ASP 247.A O no hydrogen 2.861 N/A LYS 250.A NZ ASP 45.A OD1 no hydrogen 2.951 N/A THR 251.A N ASP 247.A O no hydrogen 2.789 N/A LYS 255.A N SER 252.A OG no hydrogen 3.128 N/A PHE 256.A N SER 252.A O no hydrogen 2.762 N/A TYR 257.A N PRO 253.A O no hydrogen 2.900 N/A GLN 258.A N TYR 254.A O no hydrogen 2.961 N/A PHE 259.A N LYS 255.A O no hydrogen 2.993 N/A TRP 260.A N PHE 256.A O no hydrogen 3.335 N/A ILE 261.A N TYR 257.A O no hydrogen 3.016 N/A ASN 262.A N GLN 258.A O no hydrogen 3.031 N/A THR 263.A N TRP 260.A O no hydrogen 3.051 N/A THR 263.A OG1 TRP 260.A O no hydrogen 2.583 N/A ASP 267.A N ALA 264.A O no hydrogen 2.892 N/A VAL 268.A N ALA 264.A O no hydrogen 2.968 N/A TYR 269.A OH ASP 290.A OD2 no hydrogen 2.540 N/A ARG 270.A NH1 THR 229.A O no hydrogen 3.209 N/A ARG 270.A NH2 THR 229.A O no hydrogen 3.108 N/A PHE 271.A N ASP 267.A O no hydrogen 2.841 N/A LEU 272.A N VAL 268.A O no hydrogen 2.925 N/A LYS 273.A N TYR 269.A O no hydrogen 3.294 N/A PHE 274.A N ARG 270.A O no hydrogen 3.039 N/A PHE 275.A N PHE 271.A O no hydrogen 2.787 N/A THR 276.A N LEU 272.A O no hydrogen 3.141 N/A THR 276.A OG1 LEU 272.A O no hydrogen 2.846 N/A MET 278.A N THR 276.A OG1 no hydrogen 3.119 N/A GLU 282.A N SER 279.A OG no hydrogen 2.932 N/A ILE 283.A N SER 279.A O no hydrogen 3.027 N/A ASN 284.A N ILE 280.A O no hydrogen 2.911 N/A ALA 285.A N GLU 281.A O no hydrogen 3.014 N/A LEU 286.A N GLU 282.A O no hydrogen 2.914 N/A GLU 287.A N ILE 283.A O no hydrogen 2.929 N/A GLU 288.A N ASN 284.A O no hydrogen 2.977 N/A GLU 289.A N ALA 285.A O no hydrogen 2.827 N/A ASP 290.A N LEU 286.A O no hydrogen 3.013 N/A LYS 291.A N GLU 287.A O no hydrogen 3.009 N/A LYS 291.A NZ GLU 288.A OE1 no hydrogen 2.708 N/A ASN 292.A N GLU 288.A O no hydrogen 3.132 N/A ASN 292.A ND2 GLU 288.A OE2 no hydrogen 3.045 N/A SER 293.A OG ASP 290.A O no hydrogen 3.556 N/A LYS 295.A N SER 293.A OG no hydrogen 2.976 N/A ARG 298.A N ASP 290.A OD1 no hydrogen 2.917 N/A ARG 298.A NE GLU 289.A OE1 no hydrogen 2.774 N/A ARG 298.A NE GLU 289.A OE2 no hydrogen 3.497 N/A ARG 298.A NH2 GLU 289.A OE2 no hydrogen 3.079 N/A ALA 299.A N ASP 290.A OD2 no hydrogen 3.216 N/A GLN 300.A N GLN 300.A OE1 no hydrogen 2.711 N/A GLN 300.A NE2 THR 263.A O no hydrogen 2.895 N/A GLN 300.A NE2 ASP 265.A OD1 no hydrogen 2.777 N/A VAL 302.A N ARG 298.A O no hydrogen 2.982 N/A LEU 303.A N ALA 299.A O no hydrogen 2.839 N/A ALA 304.A N GLN 300.A O no hydrogen 2.840 N/A GLU 305.A N TYR 301.A O no hydrogen 2.961 N/A GLN 306.A N VAL 302.A O no hydrogen 2.935 N/A VAL 307.A N LEU 303.A O no hydrogen 2.954 N/A THR 308.A N ALA 304.A O no hydrogen 3.027 N/A THR 308.A OG1 ALA 304.A O no hydrogen 2.915 N/A ARG 309.A N GLU 305.A O no hydrogen 2.999 N/A ARG 309.A NE GLU 314.A OE2 no hydrogen 2.672 N/A ARG 309.A NH2 GLU 305.A OE1 no hydrogen 2.873 N/A LEU 310.A N GLN 306.A O no hydrogen 3.033 N/A VAL 311.A N VAL 307.A O no hydrogen 2.896 N/A HIS 312.A N THR 308.A O no hydrogen 2.777 N/A GLY 313.A N ARG 309.A O no hydrogen 2.599 N/A GLY 316.A N HIS 312.A O no hydrogen 3.056 N/A LEU 317.A N GLY 313.A O no hydrogen 3.062 N/A GLN 318.A N GLU 314.A O no hydrogen 2.962 N/A ALA 319.A N GLU 315.A O no hydrogen 2.970 N/A ALA 320.A N GLY 316.A O no hydrogen 2.851 N/A ALA 320.A N LEU 317.A O no hydrogen 2.981 N/A LYS 321.A N GLN 318.A O no hydrogen 3.018 N/A ARG 322.A N ALA 319.A O no hydrogen 3.388 N/A