Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dia_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 4.A OD2 no hydrogen 3.273 N/A ARG 6.A N ASN 3.A O no hydrogen 3.019 N/A ARG 6.A NE THR 2.A O no hydrogen 3.296 N/A ARG 6.A NH1 ASP 51.A OD1 no hydrogen 3.345 N/A ARG 6.A NH2 PRO 49.A O no hydrogen 2.972 N/A ARG 6.A NH2 ASP 51.A OD1 no hydrogen 2.728 N/A ILE 7.A N LEU 48.A O no hydrogen 3.008 N/A SER 9.A OG PRO 241.A O no hydrogen 2.592 N/A SER 9.A OG HIS 242.A O no hydrogen 3.086 N/A THR 13.A N ASN 11.A OD1 no hydrogen 2.812 N/A SER 15.A N ASP 251.A OD1 no hydrogen 2.844 N/A SER 15.A OG ASP 251.A OD1 no hydrogen 3.479 N/A SER 15.A OG ASP 251.A OD2 no hydrogen 2.474 N/A LYS 16.A NZ HIS 63.A O no hydrogen 2.860 N/A ARG 18.A N ASP 257.A OD2 no hydrogen 2.973 N/A TYR 19.A N ASP 257.A OD1 no hydrogen 2.824 N/A TYR 19.A OH GLN 269.A OE1 no hydrogen 2.719 N/A ILE 26.A N LEU 273.A O no hydrogen 2.768 N/A ASP 27.A N ARG 68.A O no hydrogen 2.977 N/A ALA 28.A N TRP 236.A O no hydrogen 2.834 N/A HIS 29.A N ASP 27.A OD2 no hydrogen 3.250 N/A CYS 30.A N VAL 70.A O no hydrogen 3.283 N/A CYS 30.A SG VAL 70.A O no hydrogen 3.287 N/A HIS 31.A N TRP 240.A O no hydrogen 2.848 N/A HIS 31.A ND1 VAL 72.A O no hydrogen 2.762 N/A HIS 31.A NE2 ASN 239.A OD1 no hydrogen 2.945 N/A PHE 33.A N ALA 52.A O no hydrogen 2.818 N/A GLY 34.A N HIS 77.A NE2 no hydrogen 2.876 N/A MET 36.A N ASP 51.A OD1 no hydrogen 2.913 N/A GLN 38.A N PRO 35.A O no hydrogen 2.963 N/A PHE 39.A N PRO 35.A O no hydrogen 2.813 N/A SER 42.A N CYS 76.A O no hydrogen 2.906 N/A LYS 44.A N SER 42.A OG no hydrogen 3.072 N/A ALA 45.A N SER 42.A O no hydrogen 2.891 N/A ARG 50.A N ILE 7.A O no hydrogen 2.883 N/A ARG 50.A NE ARG 6.A O no hydrogen 3.144 N/A ASP 51.A N ASN 3.A OD1 no hydrogen 3.003 N/A ALA 52.A N PHE 33.A O no hydrogen 2.931 N/A LEU 57.A N GLY 53.A O no hydrogen 3.074 N/A PHE 58.A N PRO 54.A O no hydrogen 2.843 N/A ALA 59.A N ASP 55.A O no hydrogen 3.063 N/A LEU 60.A N MET 56.A O no hydrogen 2.915 N/A ARG 61.A N LEU 57.A O no hydrogen 2.820 N/A ARG 61.A NE ASP 62.A OD1 no hydrogen 2.965 N/A ARG 61.A NH1 ASP 62.A OD1 no hydrogen 2.988 N/A ASP 62.A N PHE 58.A O no hydrogen 3.016 N/A HIS 63.A N ALA 59.A O no hydrogen 2.946 N/A HIS 63.A NE2 PRO 14.A O no hydrogen 3.106 N/A HIS 63.A NE2 SER 15.A O no hydrogen 3.029 N/A LEU 64.A N LEU 60.A O no hydrogen 2.871 N/A GLY 65.A N ASP 62.A O no hydrogen 3.181 N/A PHE 66.A N ARG 61.A O no hydrogen 2.960 N/A ALA 67.A N ALA 25.A O no hydrogen 2.886 N/A ARG 68.A N ALA 25.A O no hydrogen 3.124 N/A ARG 68.A NH1 GLU 285.A OE1 no hydrogen 3.534 N/A ARG 68.A NH1 GLU 285.A OE2 no hydrogen 2.761 N/A ARG 68.A NH2 GLU 285.A OE1 no hydrogen 3.078 N/A ARG 68.A NH2 GLU 285.A OE2 no hydrogen 3.520 N/A ASN 69.A N LYS 94.A O no hydrogen 3.021 N/A VAL 70.A N ASP 27.A O no hydrogen 2.910 N/A ILE 71.A N ARG 96.A O no hydrogen 2.802 N/A VAL 72.A N CYS 30.A O no hydrogen 2.735 N/A GLN 73.A N ILE 98.A O no hydrogen 2.890 N/A GLN 73.A NE2 GLY 78.A O no hydrogen 2.858 N/A GLN 73.A NE2 ASP 80.A O no hydrogen 3.005 N/A HIS 77.A N ALA 74.A O no hydrogen 2.970 N/A GLY 78.A N SER 75.A O no hydrogen 3.032 N/A ASP 80.A N HIS 77.A O no hydrogen 3.017 N/A ASN 81.A ND2 VAL 100.A O no hydrogen 2.947 N/A ALA 82.A N ASP 80.A OD1 no hydrogen 3.177 N/A THR 84.A OG1 GLN 73.A OE1 no hydrogen 2.797 N/A LEU 85.A N ASN 81.A O no hydrogen 2.848 N/A ASP 86.A N ALA 82.A O no hydrogen 2.894 N/A ALA 87.A N ALA 83.A O no hydrogen 3.022 N/A ILE 88.A N THR 84.A O no hydrogen 2.879 N/A ALA 89.A N LEU 85.A O no hydrogen 3.038 N/A ARG 90.A N ASP 86.A O no hydrogen 2.905 N/A ARG 90.A NE ASP 86.A OD1 no hydrogen 2.804 N/A ALA 91.A N ALA 87.A O no hydrogen 3.114 N/A ALA 91.A N ILE 88.A O no hydrogen 3.142 N/A GLN 92.A N ALA 89.A O no hydrogen 3.119 N/A LYS 94.A N ALA 91.A O no hydrogen 3.150 N/A LYS 94.A NZ ALA 67.A O no hydrogen 2.614 N/A ARG 96.A N ASN 69.A O no hydrogen 3.043 N/A ARG 96.A NH1 TYR 281.A O no hydrogen 2.746 N/A ARG 96.A NH1 GLU 284.A OE1 no hydrogen 3.336 N/A ARG 96.A NH1 GLU 284.A OE2 no hydrogen 2.980 N/A ARG 96.A NH2 GLU 284.A OE2 no hydrogen 2.831 N/A GLY 97.A N GLY 117.A O no hydrogen 2.931 N/A ILE 98.A N ILE 71.A O no hydrogen 3.048 N/A ALA 99.A N GLY 120.A O no hydrogen 2.896 N/A VAL 100.A N ASN 81.A OD1 no hydrogen 3.153 N/A ALA 104.A N ASP 102.A OD1.A no hydrogen 3.398 N/A ILE 105.A N ASP 102.A O no hydrogen 2.917 N/A ASP 106.A N GLU 109.A OE1 no hydrogen 2.898 N/A LEU 110.A N ASP 106.A O no hydrogen 3.026 N/A ALA 111.A N GLU 107.A O no hydrogen 3.012 N/A ALA 112.A N ALA 108.A O no hydrogen 3.124 N/A LEU 113.A N GLU 109.A O no hydrogen 3.076 N/A HIS 114.A N LEU 110.A O no hydrogen 3.000 N/A GLU 115.A N ALA 111.A O no hydrogen 2.918 N/A GLY 116.A N ALA 112.A O no hydrogen 2.892 N/A GLY 117.A N HIS 114.A O no hydrogen 2.955 N/A MET 118.A N LEU 113.A O no hydrogen 2.979 N/A ARG 119.A N GLY 97.A O no hydrogen 2.881 N/A ARG 119.A NH1 HIS 114.A O no hydrogen 2.789 N/A ARG 119.A NH1 MET 118.A O no hydrogen 2.911 N/A ILE 121.A N HIS 143.A O no hydrogen 3.364 N/A ARG 122.A N ALA 99.A O no hydrogen 2.790 N/A ARG 122.A NE ASP 170.A OD2 no hydrogen 2.786 N/A ARG 122.A NH2 ASP 170.A OD2 no hydrogen 2.741 N/A PHE 123.A N VAL 145.A O no hydrogen 2.825 N/A PHE 125.A N TYR 147.A O no hydrogen 2.953 N/A LEU 126.A N ASN 124.A OD1 no hydrogen 3.242 N/A GLU 133.A N ASP 129.A O no hydrogen 3.401 N/A VAL 134.A N LYS 130.A O no hydrogen 2.741 N/A ALA 135.A N PHE 131.A O no hydrogen 3.116 N/A GLY 136.A N LEU 132.A O no hydrogen 3.122 N/A GLY 136.A N GLU 133.A O no hydrogen 3.118 N/A ARG 137.A N VAL 134.A O no hydrogen 3.044 N/A ARG 137.A NH1 PRO 103.A O no hydrogen 3.151 N/A ARG 137.A NH1 ILE 105.A O no hydrogen 2.805 N/A ARG 137.A NH2 ILE 105.A O no hydrogen 2.690 N/A TRP 142.A N PRO 139.A O no hydrogen 3.342 N/A TRP 142.A NE1 HIS 114.A ND1 no hydrogen 2.914 N/A HIS 143.A N ARG 119.A O no hydrogen 3.168 N/A HIS 143.A NE2 TYR 281.A OH no hydrogen 2.744 N/A VAL 144.A N PRO 166.A O no hydrogen 2.994 N/A VAL 145.A N ILE 121.A O no hydrogen 2.795 N/A ILE 146.A N VAL 168.A O no hydrogen 2.785 N/A TYR 147.A N PHE 123.A O no hydrogen 2.911 N/A ILE 152.A N GLU 149.A O no hydrogen 3.154 N/A LEU 153.A N ALA 150.A O no hydrogen 3.300 N/A LEU 156.A N ILE 152.A O no hydrogen 3.252 N/A LEU 156.A N LEU 153.A O no hydrogen 2.999 N/A ARG 157.A N GLU 154.A O no hydrogen 3.150 N/A ARG 157.A NE.B GLU 154.A OE1 no hydrogen 2.842 N/A ARG 157.A NE.B GLU 154.A OE2 no hydrogen 3.123 N/A ARG 157.A NH1.A SER 195.A OG no hydrogen 3.336 N/A ARG 157.A NH2.B GLU 154.A OE1 no hydrogen 2.876 N/A ARG 157.A NH2.B ALA 188.A O no hydrogen 2.763 N/A MET 160.A N LEU 156.A O no hydrogen 3.096 N/A ASP 161.A N ARG 157.A O no hydrogen 2.919 N/A ALA 162.A N PRO 158.A O no hydrogen 3.121 N/A ALA 162.A N PHE 159.A O no hydrogen 3.074 N/A ILE 163.A N PHE 159.A O no hydrogen 3.254 N/A ILE 167.A N ASP 198.A O no hydrogen 2.990 N/A VAL 168.A N VAL 144.A O no hydrogen 2.752 N/A ILE 169.A N TRP 200.A O no hydrogen 2.851 N/A ASP 170.A N ILE 146.A O no hydrogen 2.953 N/A HIS 171.A ND1 THR 204.A OG1 no hydrogen 2.561 N/A GLY 173.A N ASP 170.A O no hydrogen 3.056 N/A ARG 174.A N HIS 171.A O no hydrogen 2.807 N/A ASP 176.A N ASP 185.A OD2 no hydrogen 2.838 N/A ARG 178.A N ASP 176.A OD1 no hydrogen 3.059 N/A ARG 178.A NE ASP 176.A OD1 no hydrogen 2.899 N/A ARG 178.A NE ASP 176.A OD2 no hydrogen 3.323 N/A ARG 178.A NH2 ASP 176.A OD2 no hydrogen 2.752 N/A GLN 179.A N ASP 176.A O no hydrogen 3.100 N/A GLY 180.A N VAL 177.A O no hydrogen 3.369 N/A GLY 183.A N GLY 180.A O no hydrogen 3.204 N/A ASP 185.A N GLN 179.A OE1 no hydrogen 3.022 N/A LYS 187.A N GLY 183.A O no hydrogen 3.027 N/A ALA 188.A N ALA 184.A O no hydrogen 2.855 N/A PHE 189.A N ASP 185.A O no hydrogen 2.777 N/A ARG 190.A N MET 186.A O no hydrogen 2.820 N/A ARG 190.A NH1 ASP 229.A OD2 no hydrogen 2.622 N/A ARG 190.A NH2 ASP 229.A OD2 no hydrogen 3.111 N/A ARG 191.A N LYS 187.A O no hydrogen 3.017 N/A LEU 192.A N ALA 188.A O no hydrogen 3.244 N/A LEU 193.A N PHE 189.A O no hydrogen 3.019 N/A ASP 194.A N ARG 190.A O no hydrogen 2.860 N/A SER 195.A N LEU 192.A O no hydrogen 3.117 N/A SER 195.A OG LEU 192.A O no hydrogen 2.739 N/A ARG 196.A NE ASP 198.A OD1 no hydrogen 2.907 N/A ARG 196.A NH1 ILE 163.A O no hydrogen 2.908 N/A ARG 196.A NH2 ILE 163.A O no hydrogen 3.201 N/A ARG 196.A NH2 ASP 198.A OD1 no hydrogen 3.335 N/A ARG 196.A NH2 ASP 198.A OD2 no hydrogen 2.922 N/A TRP 200.A N ILE 167.A O no hydrogen 2.694 N/A PHE 201.A N ARG 233.A O no hydrogen 2.938 N/A LYS 202.A N ILE 169.A O no hydrogen 2.882 N/A LYS 202.A NZ HIS 29.A ND1 no hydrogen 2.710 N/A LYS 202.A NZ ASP 170.A OD1 no hydrogen 2.804 N/A ALA 203.A N ILE 235.A O no hydrogen 2.999 N/A THR 204.A OG1 HIS 171.A ND1 no hydrogen 2.561 N/A THR 204.A OG1 LYS 202.A O no hydrogen 3.560 N/A ARG 208.A N CYS 205.A O no hydrogen 3.113 N/A LEU 209.A N CYS 205.A O no hydrogen 3.063 N/A ASP 210.A N PRO 206.A O no hydrogen 2.930 N/A ALA 212.A N ASP 210.A OD1 no hydrogen 2.982 N/A GLY 213.A N ASP 210.A O no hydrogen 3.473 N/A TRP 216.A N GLY 213.A O no hydrogen 2.931 N/A PHE 219.A N ASP 210.A OD2 no hydrogen 3.111 N/A ALA 220.A N TRP 216.A O no hydrogen 3.098 N/A ARG 221.A N ASP 217.A O no hydrogen 2.912 N/A ARG 221.A NE ASP 218.A OD1 no hydrogen 2.835 N/A ARG 221.A NH2 ARG 178.A O no hydrogen 3.095 N/A SER 222.A N ASP 218.A O no hydrogen 3.036 N/A SER 222.A N PHE 219.A O no hydrogen 3.252 N/A SER 222.A OG VAL 177.A O no hydrogen 2.674 N/A SER 222.A OG ASP 218.A O no hydrogen 3.115 N/A VAL 223.A N PHE 219.A O no hydrogen 2.835 N/A ALA 224.A N ALA 220.A O no hydrogen 3.096 N/A LEU 226.A N VAL 223.A O no hydrogen 2.973 N/A VAL 227.A N VAL 223.A O no hydrogen 3.074 N/A ALA 228.A N ALA 224.A O no hydrogen 2.973 N/A ASP 229.A N PRO 225.A O no hydrogen 2.953 N/A TYR 230.A N LEU 226.A O no hydrogen 2.855 N/A TYR 230.A OH ASP 194.A OD1 no hydrogen 2.621 N/A TYR 230.A OH ASP 194.A OD2 no hydrogen 3.426 N/A ARG 233.A N TYR 230.A O no hydrogen 2.929 N/A ARG 233.A NE GLU 197.A O no hydrogen 2.864 N/A ARG 233.A NH1 GLU 197.A O no hydrogen 2.731 N/A ARG 233.A NH2 ASP 232.A O no hydrogen 2.971 N/A ILE 235.A N PHE 201.A O no hydrogen 2.902 N/A THR 238.A N ASP 27.A OD2 no hydrogen 2.891 N/A THR 238.A OG1 ASP 27.A OD1 no hydrogen 2.690 N/A THR 238.A OG1 ASP 27.A OD2 no hydrogen 3.423 N/A ASN 239.A N HIS 29.A O no hydrogen 2.628 N/A TRP 240.A N THR 238.A OG1 no hydrogen 3.071 N/A HIS 242.A N ASN 239.A O no hydrogen 2.774 N/A HIS 242.A NE2 ASP 252.A OD1 no hydrogen 2.573 N/A MET 245.A N HIS 242.A O no hydrogen 3.004 N/A GLN 246.A N GLN 246.A OE1 no hydrogen 2.618 N/A ALA 248.A N MET 245.A O no hydrogen 2.927 N/A GLY 253.A N ASP 251.A OD1 no hydrogen 3.036 N/A VAL 255.A N ASP 251.A O no hydrogen 3.130 N/A VAL 256.A N ASP 252.A O no hydrogen 2.963 N/A ASP 257.A N GLY 253.A O no hydrogen 3.028 N/A MET 258.A N VAL 255.A O no hydrogen 3.245 N/A ILE 259.A N VAL 256.A O no hydrogen 2.934 N/A ARG 261.A N MET 258.A O no hydrogen 2.850 N/A ARG 261.A NH1 ASP 217.A OD1 no hydrogen 3.150 N/A ARG 261.A NH2 ASP 217.A OD1 no hydrogen 2.780 N/A ILE 262.A N MET 258.A O no hydrogen 3.024 N/A ALA 263.A N ILE 259.A O no hydrogen 2.736 N/A LEU 268.A N THR 265.A OG1 no hydrogen 3.142 N/A GLN 269.A N THR 265.A O no hydrogen 3.069 N/A GLN 269.A NE2 ALA 263.A O no hydrogen 2.839 N/A HIS 270.A N PRO 266.A O no hydrogen 2.784 N/A LYS 271.A N GLU 267.A O no hydrogen 2.999 N/A LYS 271.A NZ ASP 232.A OD1 no hydrogen 2.771 N/A MET 272.A N LEU 268.A O no hydrogen 2.963 N/A LEU 273.A N GLN 269.A O no hydrogen 2.927 N/A VAL 274.A N HIS 270.A O no hydrogen 2.889 N/A THR 275.A N HIS 270.A O no hydrogen 2.923 N/A ASN 276.A N LYS 271.A O no hydrogen 2.819 N/A ASN 276.A ND2 ALA 231.A O no hydrogen 2.715 N/A ASN 276.A ND2 VAL 234.A O no hydrogen 2.804 N/A MET 278.A N VAL 274.A O no hydrogen 2.977 N/A ARG 279.A N THR 275.A O no hydrogen 3.026 N/A ARG 279.A NH1 ASN 276.A OD1 no hydrogen 3.538 N/A LEU 280.A N ASN 276.A O no hydrogen 3.129 N/A TYR 281.A N PRO 277.A O no hydrogen 2.808 N/A TYR 281.A OH HIS 143.A NE2 no hydrogen 2.744 N/A TRP 282.A N MET 278.A O no hydrogen 2.896 N/A GLU 284.A N GLU 284.A OE1 no hydrogen 2.741 N/A GLU 285.A N TRP 282.A O no hydrogen 2.873 N/A MET 286.A N SER 283.A O no hydrogen 3.072 N/A