Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LEU 153.A O no hydrogen 2.907 N/A THR 6.A N VAL 152.A O no hydrogen 3.004 N/A SER 8.A N LEU 174.A O no hydrogen 2.978 N/A SER 8.A OG GLY 100.A O no hydrogen 2.442 N/A VAL 10.A N ILE 172.A O no hydrogen 2.767 N/A LEU 12.A N GLY 170.A O no hydrogen 2.918 N/A THR 13.A N TYR 21.A O no hydrogen 2.775 N/A ASN 14.A ND2 ASP 17.A OD1 no hydrogen 2.883 N/A TYR 15.A N GLN 19.A O no hydrogen 2.760 N/A ASP 17.A N ASN 14.A OD1 no hydrogen 2.738 N/A THR 18.A N TYR 15.A O no hydrogen 2.997 N/A THR 18.A OG1 TYR 15.A O no hydrogen 3.456 N/A GLN 19.A N TYR 15.A O no hydrogen 3.052 N/A GLN 19.A NE2 LEU 121.A O no hydrogen 2.927 N/A TYR 20.A OH ASN 163.A O no hydrogen 2.721 N/A TYR 21.A N THR 13.A O no hydrogen 3.045 N/A GLY 22.A N VAL 35.A O no hydrogen 2.899 N/A ILE 24.A N PHE 33.A O no hydrogen 3.004 N/A GLY 25.A N THR 98.A O no hydrogen 2.944 N/A ILE 26.A N GLN 31.A O no hydrogen 2.738 N/A GLY 27.A N ILE 96.A O no hydrogen 2.860 N/A THR 28.A N SER 69.A OG no hydrogen 3.213 N/A THR 28.A OG1 SER 71.A OG no hydrogen 2.690 N/A GLN 31.A N ILE 26.A O no hydrogen 2.798 N/A GLN 31.A NE2 ASP 65.A O no hydrogen 2.816 N/A PHE 33.A N ILE 24.A O no hydrogen 2.936 N/A LYS 34.A N ASP 125.A OD2 no hydrogen 2.880 N/A VAL 35.A N GLY 22.A O no hydrogen 2.805 N/A VAL 36.A N.A GLY 126.A O no hydrogen 3.089 N/A VAL 36.A N.B GLY 126.A O no hydrogen 3.101 N/A ASP 38.A N VAL 128.A O no hydrogen 2.898 N/A THR 39.A N THR 223.A OG1 no hydrogen 2.872 N/A THR 39.A OG1 VAL 221.A O no hydrogen 2.718 N/A THR 39.A OG1 THR 223.A OG1 no hydrogen 3.414 N/A GLY 40.A N ASP 38.A OD1 no hydrogen 2.905 N/A SER 41.A N ASP 38.A O no hydrogen 3.310 N/A SER 41.A OG ASP 38.A OD2 no hydrogen 2.653 N/A SER 42.A OG PHE 132.A O no hydrogen 2.739 N/A ASN 43.A ND2 ILE 137.A O no hydrogen 2.955 N/A TRP 45.A N VAL 127.A O no hydrogen 2.959 N/A VAL 46.A N GLY 109.A O no hydrogen 3.099 N/A SER 48.A N VAL 111.A O no hydrogen 2.817 N/A SER 48.A OG GLU 110.A OE2 no hydrogen 2.695 N/A SER 49.A N PHE 64.A O no hydrogen 2.860 N/A SER 49.A OG PHE 64.A O no hydrogen 3.140 N/A LYS 50.A N SER 48.A OG no hydrogen 2.975 N/A CYS 51.A N SER 48.A O no hydrogen 2.945 N/A CYS 51.A SG SER 52.A O no hydrogen 3.540 N/A CYS 51.A SG THR 112.A O no hydrogen 3.244 N/A ARG 53.A NH1 SER 49.A O no hydrogen 2.835 N/A ARG 53.A NH1 CYS 51.A O no hydrogen 2.789 N/A CYS 58.A N TYR 55B.A O no hydrogen 2.928 N/A TYR 60.A N THR 56.A O no hydrogen 3.108 N/A HIS 61.A ND1 ALA 57.A O no hydrogen 2.683 N/A HIS 61.A NE2 ALA 122.A O no hydrogen 2.763 N/A LYS 62.A N ASP 125.A OD1 no hydrogen 2.995 N/A LYS 62.A NZ THR 32.A O no hydrogen 2.737 N/A LYS 62.A NZ THR 32.A OG1 no hydrogen 3.126 N/A PHE 64.A N PRO 47.A O no hydrogen 2.789 N/A ASP 65.A N GLN 31.A OE1 no hydrogen 2.788 N/A SER 67.A N ASP 65.A OD1 no hydrogen 3.106 N/A ASP 68.A N ASP 65.A O no hydrogen 3.058 N/A SER 69.A N ALA 66.A O no hydrogen 2.979 N/A SER 69.A OG ASP 95.A OD1 no hydrogen 3.487 N/A SER 69.A OG ASP 95.A OD2 no hydrogen 2.683 N/A SER 70.A N THR 28.A O no hydrogen 3.019 N/A SER 70.A OG THR 28.A O no hydrogen 3.544 N/A SER 71.A N SER 69.A OG no hydrogen 3.403 N/A SER 71.A OG THR 28.A OG1 no hydrogen 2.690 N/A SER 71.A OG SER 69.A OG no hydrogen 3.385 N/A SER 71.A OG ASP 95.A OD1 no hydrogen 2.603 N/A LYS 73.A N GLN 94.A O no hydrogen 2.821 N/A GLY 76.A N LEU 92.A O no hydrogen 2.849 N/A THR 77.A N ASN 75.A OD1 no hydrogen 3.130 N/A THR 77.A OG1 ASN 75.A OD1 no hydrogen 2.715 N/A LEU 79.A N GLY 90.A O no hydrogen 2.908 N/A THR 80.A OG1 SER 89.A OG no hydrogen 2.815 N/A LEU 81.A N VAL 88.A O no hydrogen 2.804 N/A TYR 83.A N GLY 86.A O no hydrogen 2.811 N/A GLY 86.A N TYR 83.A O no hydrogen 3.393 N/A VAL 88.A N LEU 81.A O no hydrogen 2.951 N/A SER 89.A N GLU 113.A O no hydrogen 3.110 N/A SER 89.A OG LEU 79.A O no hydrogen 3.396 N/A SER 89.A OG THR 80.A OG1 no hydrogen 2.815 N/A GLY 90.A N LEU 79.A O no hydrogen 2.835 N/A PHE 91.A N GLU 110.A O no hydrogen 3.013 N/A LEU 92.A N THR 77.A O no hydrogen 2.829 N/A SER 93.A N PHE 108.A O no hydrogen 2.852 N/A SER 93.A OG GLU 110.A OE1 no hydrogen 2.659 N/A GLN 94.A N LYS 73.A O no hydrogen 2.959 N/A ASP 95.A N GLN 106.A O no hydrogen 3.075 N/A ILE 96.A N ASP 95.A OD1 no hydrogen 2.739 N/A ILE 97.A N VAL 104.A O no hydrogen 2.777 N/A THR 98.A N GLY 25.A O no hydrogen 2.814 N/A THR 98.A OG1 THR 103.A OG1 no hydrogen 3.261 N/A VAL 99.A N ILE 102.A O no hydrogen 2.847 N/A ILE 102.A N VAL 99.A O no hydrogen 2.999 N/A THR 103.A OG1 THR 98.A OG1 no hydrogen 3.261 N/A VAL 104.A N ILE 97.A O no hydrogen 2.831 N/A GLN 106.A N ASP 95.A O no hydrogen 2.793 N/A GLN 106.A NE2 MET 107.A O no hydrogen 3.010 N/A GLN 106.A NE2 THR 141.A O no hydrogen 2.914 N/A PHE 108.A N SER 93.A O no hydrogen 2.818 N/A GLY 109.A N VAL 44.A O no hydrogen 2.767 N/A GLU 110.A N PHE 91.A O no hydrogen 2.777 N/A VAL 111.A N VAL 46.A O no hydrogen 3.002 N/A THR 112.A N SER 89.A O no hydrogen 2.834 N/A THR 112.A OG1 SER 89.A O no hydrogen 3.452 N/A GLU 113.A N SER 89.A O no hydrogen 3.023 N/A PHE 119.A N PRO 115.A O no hydrogen 3.134 N/A MET 120.A N ALA 116.A O no hydrogen 2.769 N/A LEU 121.A N PRO 118.A O no hydrogen 2.915 N/A ALA 122.A N PHE 119.A O no hydrogen 3.181 N/A GLU 123.A N GLN 19.A OE1 no hydrogen 2.745 N/A ASP 125.A N LYS 34.A O no hydrogen 2.728 N/A GLY 126.A N LYS 34.A O no hydrogen 3.094 N/A VAL 127.A N TRP 45.A O no hydrogen 3.005 N/A VAL 128.A N VAL 36.A O.A no hydrogen 2.788 N/A VAL 128.A N VAL 36.A O.B no hydrogen 2.824 N/A GLY 129.A N ASN 43.A O no hydrogen 2.903 N/A MET 130.A N ASP 38.A O no hydrogen 2.722 N/A GLY 131.A N SER 41.A O no hydrogen 2.758 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.835 N/A GLN 135.A N PHE 132.A O no hydrogen 3.050 N/A GLN 135.A NE2 GLU 134.A O no hydrogen 3.535 N/A ALA 136.A N ILE 133.A O no hydrogen 2.893 N/A ILE 137.A N ASN 43.A OD1 no hydrogen 2.877 N/A ARG 139.A N ALA 136.A O no hydrogen 3.285 N/A ASN 146.A N PRO 142.A O no hydrogen 3.195 N/A ASN 146.A ND2 GLN 106.A OE1 no hydrogen 2.719 N/A ILE 147.A N ILE 143.A O no hydrogen 2.872 N/A ILE 148.A N PHE 144.A O no hydrogen 2.852 N/A SER 149.A N ASP 145.A O no hydrogen 3.035 N/A SER 149.A OG ASP 145.A O no hydrogen 3.035 N/A GLN 150.A N ILE 147.A O no hydrogen 3.045 N/A GLN 150.A NE2 THR 103.A O no hydrogen 2.780 N/A GLY 151.A N ILE 148.A O no hydrogen 2.865 N/A LYS 154.A N THR 6.A O no hydrogen 2.798 N/A LYS 154.A NZ ASN 5.A OD1 no hydrogen 2.804 N/A PHE 158.A N PHE 323.A O no hydrogen 3.006 N/A SER 159.A N VAL 173.A O no hydrogen 2.846 N/A SER 159.A OG GLY 176.A O no hydrogen 2.726 N/A SER 159.A OG SER 177.A OG no hydrogen 2.726 N/A PHE 160.A N THR 321.A O no hydrogen 2.817 N/A TYR 161.A N GLN 171.A O no hydrogen 2.805 N/A TYR 162.A OH THR 223.A O no hydrogen 2.626 N/A ASN 163.A N GLY 169.A O no hydrogen 2.899 N/A ASN 163.A ND2 LEU 168.A O no hydrogen 2.776 N/A ARG 164.A N ASN 163.A OD1 no hydrogen 2.698 N/A GLN 171.A N TYR 161.A O no hydrogen 2.794 N/A GLN 171.A NE2 ASP 178.A OD2 no hydrogen 3.186 N/A ILE 172.A N VAL 10.A O no hydrogen 3.001 N/A VAL 173.A N SER 159.A O no hydrogen 2.898 N/A LEU 174.A N SER 8.A O no hydrogen 2.731 N/A GLY 175.A N VAL 157.A O no hydrogen 2.768 N/A SER 177.A OG SER 159.A OG no hydrogen 2.726 N/A SER 177.A OG GLU 322.A OE2 no hydrogen 2.923 N/A ASP 178.A N TYR 320.A OH no hydrogen 2.872 N/A GLN 180.A N ASP 178.A OD1 no hydrogen 3.031 N/A HIS 181.A N ASP 178.A O no hydrogen 2.958 N/A GLU 183.A N LEU 334.A O no hydrogen 2.992 N/A HIS 187.A N PHE 332.A O no hydrogen 3.067 N/A TYR 188.A OH GLU 322.A OE1 no hydrogen 2.927 N/A ILE 189.A N ILE 330.A O no hydrogen 2.880 N/A LEU 191.A N ASN 328.A O no hydrogen 2.918 N/A ILE 192.A N GLN 198.A O no hydrogen 3.179 N/A TRP 197.A NE1 MET 130.A O no hydrogen 3.030 N/A GLN 198.A N VAL 196.A O no hydrogen 2.844 N/A GLN 198.A NE2 THR 305.A O no hydrogen 2.931 N/A GLN 198.A NE2 THR 308.A OG1 no hydrogen 3.046 N/A ILE 199.A N ALA 219.A O no hydrogen 2.870 N/A MET 201.A N CYS 217.A O no hydrogen 2.804 N/A LYS 202.A N HIS 267.A O no hydrogen 2.815 N/A LYS 202.A NZ GLY 269.A O no hydrogen 3.031 N/A VAL 204.A N LEU 212.A O no hydrogen 2.948 N/A SER 205.A N SER 265.A O no hydrogen 2.844 N/A SER 205.A OG THR 210.A OG1 no hydrogen 3.211 N/A VAL 206.A N SER 209.A O no hydrogen 3.409 N/A GLY 207.A N ASP 263.A O no hydrogen 2.983 N/A THR 210.A OG1 SER 205.A OG no hydrogen 3.211 N/A LEU 212.A N VAL 204.A O no hydrogen 3.155 N/A CYS 213.A SG MET 201.A O no hydrogen 3.302 N/A CYS 213.A SG CYS 213.A O no hydrogen 2.934 N/A GLU 214.A N GLU 214.A OE2 no hydrogen 2.932 N/A GLY 216.A N CYS 213.A O no hydrogen 3.062 N/A CYS 217.A N MET 201.A O no hydrogen 2.862 N/A CYS 217.A SG MET 201.A O no hydrogen 3.853 N/A ALA 219.A N ILE 199.A O no hydrogen 2.869 N/A LEU 220.A N TRP 309.A O no hydrogen 2.836 N/A VAL 221.A N TRP 197.A O no hydrogen 2.859 N/A ASP 222.A N LEU 311.A O no hydrogen 3.001 N/A THR 223.A N THR 39.A OG1 no hydrogen 2.957 N/A THR 223.A OG1 PHE 37.A O no hydrogen 2.684 N/A THR 223.A OG1 THR 39.A OG1 no hydrogen 3.414 N/A GLY 224.A N ASP 222.A OD1 no hydrogen 3.284 N/A ALA 225.A N ASP 222.A O no hydrogen 3.111 N/A SER 226.A OG THR 18.A O no hydrogen 2.632 N/A ILE 228.A N ALA 295.A O no hydrogen 3.209 N/A SER 229.A N ALA 310.A O no hydrogen 2.814 N/A GLY 230.A N HIS 297.A O.A no hydrogen 3.316 N/A GLY 230.A N HIS 297.A O.B no hydrogen 3.298 N/A SER 231.A OG SER 234.A OG no hydrogen 2.974 N/A THR 232.A N ASP 300.A OD2 no hydrogen 2.980 N/A THR 232.A OG1 ASP 300.A OD1 no hydrogen 2.644 N/A SER 234.A N SER 231.A OG no hydrogen 3.109 N/A SER 234.A OG SER 231.A OG no hydrogen 2.974 N/A ILE 235.A N SER 231.A O no hydrogen 2.961 N/A GLU 236.A N THR 232.A O no hydrogen 2.856 N/A LYS 237.A N SER 233.A O no hydrogen 3.330 N/A LEU 238.A N SER 234.A O no hydrogen 2.890 N/A MET 239.A N ILE 235.A O no hydrogen 2.802 N/A GLU 240.A N GLU 236.A O no hydrogen 3.005 N/A ALA 241.A N LYS 237.A O no hydrogen 3.104 N/A LEU 242.A N LEU 238.A O no hydrogen 3.073 N/A GLY 243.A N GLU 240.A O no hydrogen 3.120 N/A ALA 244.A N MET 239.A O no hydrogen 2.997 N/A LYS 245.A N VAL 252.A O no hydrogen 2.788 N/A LYS 246.A NZ ARG 247.A O no hydrogen 3.027 N/A ARG 247.A N ASP 250.A O no hydrogen 2.817 N/A ARG 247.A NE ASP 250.A OD1 no hydrogen 2.888 N/A ARG 247.A NH2 ASP 250.A OD1 no hydrogen 3.361 N/A ARG 247.A NH2 ASP 250.A OD2 no hydrogen 2.909 N/A VAL 252.A N LYS 245.A O no hydrogen 2.929 N/A VAL 253.A N CYS 292.A O no hydrogen 3.089 N/A LYS 254.A N GLU 257.A OE2 no hydrogen 3.289 N/A CYS 255.A N LYS 290C.A O no hydrogen 2.862 N/A CYS 255.A SG SER 285.A OG no hydrogen 3.676 N/A GLU 257.A N LYS 254.A O no hydrogen 2.884 N/A GLY 258.A N CYS 255.A O no hydrogen 3.264 N/A THR 260.A N GLU 257.A O no hydrogen 2.878 N/A THR 260.A OG1 GLU 257.A O no hydrogen 2.711 N/A LEU 261.A N GLY 258.A O no hydrogen 3.361 N/A ILE 264.A N LEU 275.A O no hydrogen 2.838 N/A SER 265.A N SER 205.A O no hydrogen 2.819 N/A SER 265.A OG THR 274.A OG1 no hydrogen 2.721 N/A PHE 266.A N TYR 273.A O no hydrogen 2.835 N/A HIS 267.A N GLY 203.A O no hydrogen 2.821 N/A LEU 268.A N LYS 271.A O no hydrogen 2.954 N/A LYS 271.A N LEU 268.A O no hydrogen 3.049 N/A TYR 273.A N PHE 266.A O no hydrogen 2.829 N/A THR 274.A OG1 SER 265.A OG no hydrogen 2.721 N/A LEU 275.A N ILE 264.A O no hydrogen 2.799 N/A THR 276.A N ASP 279.A OD2 no hydrogen 2.858 N/A THR 276.A OG1 ASP 279.A OD2 no hydrogen 3.094 N/A SER 277.A OG GLY 258.A O no hydrogen 3.328 N/A ASP 279.A N THR 276.A O no hydrogen 2.811 N/A TYR 280.A N SER 277.A O no hydrogen 3.093 N/A TYR 280.A OH PRO 262.A O no hydrogen 2.600 N/A VAL 281.A N SER 277.A O no hydrogen 2.817 N/A PHE 282.A N THR 293.A O no hydrogen 2.893 N/A GLN 283.A NE2 CYS 255.A O no hydrogen 2.788 N/A GLN 283.A NE2 SER 285.A O no hydrogen 2.679 N/A SER 287.A N SER 285.A OG no hydrogen 3.241 N/A CYS 292.A N VAL 253.A O no hydrogen 2.813 N/A CYS 292.A SG PHE 282.A O no hydrogen 3.500 N/A CYS 292.A SG SER 285.A O no hydrogen 3.953 N/A THR 293.A OG1 ASP 250.A OD2 no hydrogen 3.124 N/A LEU 294.A N TYR 251.A O no hydrogen 3.109 N/A ALA 295.A N TYR 280.A O no hydrogen 2.708 N/A HIS 297.A N.A ILE 228.A O no hydrogen 2.934 N/A HIS 297.A N.B ILE 228.A O no hydrogen 2.894 N/A MET 299.A N GLY 230.A O no hydrogen 2.807 N/A THR 305.A OG1 GLN 135.A OE1 no hydrogen 3.402 N/A GLY 306.A N PRO 302.A O no hydrogen 3.020 N/A THR 308.A OG1 TRP 309.A O no hydrogen 2.817 N/A TRP 309.A N LEU 218.A O no hydrogen 2.930 N/A ALA 310.A N SER 229.A O no hydrogen 2.841 N/A LEU 311.A N LEU 220.A O no hydrogen 2.762 N/A ALA 313.A N ALA 225.A O no hydrogen 2.766 N/A THR 314.A OG1 SER 226.A O no hydrogen 3.366 N/A THR 314.A OG1 ALA 295.A O no hydrogen 2.864 N/A PHE 315.A N GLY 312.A O no hydrogen 2.968 N/A ILE 316.A N GLY 312.A O no hydrogen 3.154 N/A ARG 317.A N ALA 313.A O no hydrogen 2.897 N/A ARG 317.A NH1 ASP 17.A O no hydrogen 2.783 N/A ARG 317.A NH1 TYR 20.A OH no hydrogen 2.935 N/A LYS 318.A N PHE 315.A O no hydrogen 3.149 N/A LYS 318.A NZ ASP 279.A OD2 no hydrogen 2.810 N/A PHE 319.A N PHE 315.A O no hydrogen 3.021 N/A THR 321.A N PHE 160.A O no hydrogen 3.133 N/A THR 321.A OG1 PHE 319.A O no hydrogen 2.837 N/A GLU 322.A N GLY 331.A O no hydrogen 2.796 N/A PHE 323.A N PHE 158.A O no hydrogen 2.742 N/A ASP 324.A N ARG 329.A O no hydrogen 2.858 N/A ARG 325.A N ASP 156.A O no hydrogen 2.888 N/A ARG 325.A NH1 ASP 145.A OD1 no hydrogen 2.904 N/A ARG 325.A NH2 ASP 145.A OD2 no hydrogen 3.569 N/A ARG 326.A N ASP 156.A O no hydrogen 3.291 N/A ASN 327.A N ASP 324.A OD1 no hydrogen 3.039 N/A ASN 327.A ND2 ASP 324.A OD2 no hydrogen 2.823 N/A ARG 329.A N ASP 324.A O no hydrogen 3.128 N/A ARG 329.A NE ASP 324.A OD2 no hydrogen 2.869 N/A ILE 330.A N ILE 189.A O no hydrogen 2.871 N/A GLY 331.A N GLU 322.A O no hydrogen 2.836 N/A PHE 332.A N HIS 187.A O no hydrogen 3.015 N/A ALA 333.A N TYR 320.A O no hydrogen 3.000 N/A ALA 335.A N LYS 318.A O no hydrogen 2.885 N/A ARG 336.A N HIS 181.A O no hydrogen 2.788 N/A ARG 336.A NE TYR 182.A O no hydrogen 3.355 N/A LEU 54A.A N SER 52.A OG no hydrogen 3.050 N/A TYR 55B.A N SER 52.A O no hydrogen 3.126 N/A TYR 55B.A OH GLU 113.A OE1 no hydrogen 3.403 N/A LYS 289B.A N SER 287.A OG no hydrogen 2.910 N/A LYS 290C.A N SER 287.A O no hydrogen 3.501 N/A SER 167D.A OG ASP 165.A O no hydrogen 3.322 N/A