Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 82.A O no hydrogen 3.492 N/A MET 1.A N ASP 84.A OD1.A no hydrogen 2.618 N/A ASP 2.A N LEU 81.A O no hydrogen 2.904 N/A ASP 4.A N ARG 16.A O no hydrogen 2.925 N/A GLU 7.A N ILE 14.A O no hydrogen 2.830 N/A LYS 9.A N SER 12.A O no hydrogen 2.674 N/A LYS 9.A NZ GLU 7.A OE1 no hydrogen 3.066 N/A LYS 10.A NZ ASP 11.A OD1 no hydrogen 3.129 N/A LYS 10.A NZ ASP 11.A OD2 no hydrogen 3.410 N/A VAL 13.A N ILE 63.A O no hydrogen 2.984 N/A ILE 14.A N GLU 7.A O no hydrogen 2.852 N/A VAL 15.A N VAL 61.A O no hydrogen 2.784 N/A ARG 16.A N MET 5.A O.A no hydrogen 2.808 N/A ARG 16.A N MET 5.A O.B no hydrogen 2.759 N/A ARG 16.A NH1 ASP 60.A OD2 no hydrogen 3.153 N/A ARG 16.A NH2 GLU 7.A OE2 no hydrogen 2.634 N/A ASN 17.A N ASP 60.A OD1 no hydrogen 3.114 N/A VAL 18.A N GLU 59.A O no hydrogen 2.756 N/A GLU 19.A N ASP 2.A O no hydrogen 2.924 N/A ASN 20.A ND2 ASP 2.A OD1 no hydrogen 2.984 N/A GLU 22.A N GLY 107.A O no hydrogen 3.169 N/A LYS 24.A NZ ASP 28.A OD1 no hydrogen 2.726 N/A ILE 26.A N GLU 22.A O no hydrogen 2.959 N/A PHE 27.A N LEU 23.A O no hydrogen 2.908 N/A ASP 28.A N LYS 24.A O no hydrogen 2.918 N/A CYS 29.A SG ILE 26.A O no hydrogen 3.509 N/A GLN 31.A NE2 ILE 26.A O no hydrogen 2.917 N/A GLN 31.A NE2 ARG 109.A O no hydrogen 2.843 N/A CYS 32.A SG PHE 27.A O no hydrogen 3.532 N/A ARG 34.A NH1 TYR 156.A O no hydrogen 2.940 N/A ARG 34.A NH2 ASN 138.A OD1 no hydrogen 3.207 N/A ARG 34.A NH2 TYR 156.A O no hydrogen 2.840 N/A TRP 35.A NE1 TYR 78.A OH no hydrogen 2.939 N/A HIS 36.A N.A ILE 44.A O no hydrogen 2.830 N/A HIS 36.A N.B ILE 44.A O no hydrogen 2.841 N/A HIS 36.A ND1.B ARG 37.A O no hydrogen 2.751 N/A GLN 38.A N ASN 42.A O no hydrogen 2.629 N/A GLY 41.A N GLN 38.A O no hydrogen 2.993 N/A ASN 42.A N ASN 40.A OD1 no hydrogen 2.877 N/A ASN 42.A ND2 GLU 53.A OE2 no hydrogen 3.276 N/A TYR 43.A N VAL 54.A O no hydrogen 3.069 N/A TYR 43.A OH ASP 28.A OD1 no hydrogen 2.877 N/A ILE 44.A N HIS 36.A O.A no hydrogen 2.972 N/A ILE 44.A N HIS 36.A O.B no hydrogen 2.988 N/A GLY 45.A N VAL 52.A O.A no hydrogen 2.852 N/A GLY 45.A N VAL 52.A O.B no hydrogen 2.865 N/A ILE 46.A N.A ARG 34.A O no hydrogen 3.269 N/A ILE 46.A N.B ARG 34.A O no hydrogen 3.274 N/A ALA 47.A N LYS 50.A O no hydrogen 3.045 N/A LYS 50.A N ALA 47.A O no hydrogen 2.971 N/A LYS 50.A NZ ASN 65.A O no hydrogen 2.674 N/A LYS 50.A NZ GLU 70.A OE1 no hydrogen 3.514 N/A LYS 50.A NZ GLU 70.A OE2 no hydrogen 3.037 N/A VAL 52.A N.A GLY 45.A O no hydrogen 2.966 N/A VAL 52.A N.B GLY 45.A O no hydrogen 2.988 N/A GLU 53.A N TYR 64.A O no hydrogen 3.445 N/A VAL 54.A N TYR 43.A O no hydrogen 2.797 N/A GLN 55.A N VAL 62.A O no hydrogen 2.953 N/A LYS 56.A NZ PHE 21.A O no hydrogen 3.012 N/A ILE 57.A N ASP 60.A O no hydrogen 2.850 N/A ASP 60.A N ILE 57.A O no hydrogen 3.040 N/A VAL 61.A N VAL 15.A O no hydrogen 3.009 N/A VAL 62.A N GLN 55.A O no hydrogen 2.704 N/A ILE 63.A N VAL 13.A O no hydrogen 2.837 N/A TYR 64.A N GLU 53.A O no hydrogen 2.796 N/A TYR 64.A OH GLN 55.A OE1 no hydrogen 2.696 N/A ASN 65.A N ASP 11.A O no hydrogen 2.901 N/A ASN 65.A ND2 VAL 51.A O no hydrogen 2.716 N/A ASN 67.A N GLU 70.A OE1 no hydrogen 2.937 N/A GLU 68.A N GLU 8.A OE2 no hydrogen 2.732 N/A GLU 70.A N ASN 67.A OD1 no hydrogen 2.779 N/A PHE 71.A N ASN 67.A O no hydrogen 3.006 N/A LYS 72.A N GLU 68.A O no hydrogen 3.104 N/A ASN 73.A N GLU 69.A O no hydrogen 3.094 N/A ASN 73.A ND2 GLU 69.A OE1 no hydrogen 2.738 N/A VAL 74.A N GLU 70.A O no hydrogen 2.805 N/A TRP 75.A N GLU 70.A O no hydrogen 3.176 N/A SER 76.A N PHE 71.A O no hydrogen 2.735 N/A SER 76.A OG PHE 71.A O no hydrogen 2.756 N/A SER 76.A OG LYS 72.A O no hydrogen 3.372 N/A SER 76.A OG TYR 82.A OH no hydrogen 3.046 N/A TYR 78.A N VAL 74.A O no hydrogen 2.975 N/A PHE 79.A N TRP 75.A O no hydrogen 3.094 N/A ASP 80.A N GLU 77.A O no hydrogen 2.805 N/A LEU 81.A N SER 76.A O no hydrogen 2.951 N/A TYR 82.A OH SER 76.A OG no hydrogen 3.046 N/A ARG 83.A N.A ASP 80.A O no hydrogen 3.310 N/A ARG 83.A N.B ASP 80.A O no hydrogen 3.305 N/A ARG 83.A NH1.A ASP 80.A OD1 no hydrogen 2.792 N/A TYR 85.A N ASP 2.A OD1 no hydrogen 3.087 N/A TYR 85.A OH ASP 80.A OD1 no hydrogen 2.608 N/A GLU 87.A N ASP 84.A O.A no hydrogen 3.193 N/A GLU 87.A N ASP 84.A OD2.B no hydrogen 3.088 N/A LYS 89.A N TYR 85.A O no hydrogen 2.962 N/A LYS 89.A NZ ASN 20.A OD1 no hydrogen 2.694 N/A LYS 89.A NZ GLU 106.A O no hydrogen 2.898 N/A LYS 90.A N GLY 86.A O no hydrogen 2.949 N/A GLU 91.A N GLU 87.A O no hydrogen 3.007 N/A LEU 92.A N ILE 88.A O no hydrogen 2.982 N/A SER 93.A N LYS 89.A O no hydrogen 2.818 N/A SER 93.A OG LYS 89.A O no hydrogen 2.721 N/A ARG 94.A N GLU 91.A O no hydrogen 3.190 N/A ARG 94.A NE GLU 91.A O no hydrogen 3.056 N/A ASP 95.A N LEU 92.A O no hydrogen 3.026 N/A LEU 97.A N ASP 95.A OD2 no hydrogen 2.961 N/A LEU 98.A N ASP 95.A O no hydrogen 2.996 N/A LYS 99.A NZ ASP 103.A OD2 no hydrogen 2.653 N/A VAL 102.A N LEU 98.A O no hydrogen 3.002 N/A ASP 103.A N LYS 99.A O no hydrogen 2.835 N/A PHE 104.A N LYS 100.A O no hydrogen 3.077 N/A GLY 105.A N SER 101.A O no hydrogen 3.021 N/A GLY 107.A N ASP 25.A OD2 no hydrogen 2.801 N/A ILE 108.A N GLY 105.A O no hydrogen 3.063 N/A ARG 109.A NE PHE 79.A O no hydrogen 2.884 N/A ARG 109.A NH1 ASP 2.A OD1 no hydrogen 2.864 N/A ARG 109.A NH1 ASN 20.A O no hydrogen 3.007 N/A ARG 109.A NH2 ASP 2.A OD1 no hydrogen 3.502 N/A ARG 109.A NH2 ASP 80.A O no hydrogen 2.719 N/A ARG 109.A NH2 ARG 83.A O.A no hydrogen 2.951 N/A ARG 109.A NH2 ARG 83.A O.B no hydrogen 2.965 N/A ILE 110.A N TYR 85.A OH no hydrogen 2.848 N/A LEU 111.A N GLN 31.A OE1 no hydrogen 2.878 N/A ARG 112.A N TYR 78.A O no hydrogen 2.889 N/A ARG 112.A NE ASP 80.A OD2 no hydrogen 2.877 N/A ARG 112.A NH2 ASP 80.A OD2 no hydrogen 2.913 N/A GLN 113.A N PHE 230.A O no hydrogen 2.997 N/A GLN 113.A NE2 GLN 31.A O no hydrogen 2.888 N/A GLU 117.A N ASP 114.A OD2 no hydrogen 3.151 N/A ILE 118.A N ASP 114.A O no hydrogen 2.949 N/A LEU 119.A N PRO 115.A O no hydrogen 2.784 N/A LEU 120.A N PHE 116.A O no hydrogen 3.272 N/A SER 121.A N GLU 117.A O no hydrogen 2.849 N/A SER 121.A OG GLU 117.A O no hydrogen 2.690 N/A PHE 122.A N ILE 118.A O no hydrogen 2.928 N/A ILE 123.A N LEU 119.A O no hydrogen 3.222 N/A ILE 123.A N LEU 120.A O no hydrogen 3.255 N/A ILE 124.A N LEU 120.A O no hydrogen 3.135 N/A SER 125.A N SER 121.A O no hydrogen 3.118 N/A SER 125.A N PHE 122.A O no hydrogen 3.183 N/A SER 125.A OG PHE 122.A O no hydrogen 2.687 N/A ALA 126.A N ILE 123.A O no hydrogen 3.452 N/A ASN 128.A N SER 125.A O no hydrogen 3.130 N/A ASN 128.A ND2 ILE 124.A O no hydrogen 3.019 N/A ARG 129.A N ASN 128.A OD1 no hydrogen 2.855 N/A ILE 133.A N ARG 129.A O no hydrogen 2.935 N/A LYS 134.A N ILE 130.A O no hydrogen 2.869 N/A LYS 135.A N PRO 131.A O no hydrogen 3.110 N/A LYS 135.A NZ PRO 131.A O no hydrogen 3.543 N/A CYS 136.A N MET 132.A O no hydrogen 3.031 N/A CYS 136.A SG CYS 175.A O no hydrogen 3.618 N/A ILE 137.A N ILE 133.A O no hydrogen 3.037 N/A ASN 138.A N LYS 134.A O no hydrogen 2.991 N/A ASN 139.A N LYS 135.A O no hydrogen 2.864 N/A ASN 139.A ND2 CYS 175.A O no hydrogen 3.293 N/A ILE 140.A N CYS 136.A O no hydrogen 2.961 N/A SER 141.A N ILE 137.A O no hydrogen 3.064 N/A SER 141.A OG ILE 137.A O no hydrogen 3.018 N/A GLU 142.A N ASN 138.A O no hydrogen 2.828 N/A LYS 143.A N ASN 139.A O no hydrogen 2.881 N/A ALA 144.A N ILE 140.A O no hydrogen 3.206 N/A GLY 145.A N SER 141.A O no hydrogen 2.648 N/A LEU 148.A N TYR 155.A O no hydrogen 2.755 N/A TYR 150.A N LYS 153.A O no hydrogen 2.980 N/A TYR 150.A OH GLU 53.A OE1 no hydrogen 2.627 N/A LYS 153.A N TYR 150.A O no hydrogen 3.110 N/A TYR 155.A N LEU 148.A O no hydrogen 2.638 N/A ALA 157.A N LYS 146.A O no hydrogen 2.911 N/A LYS 163.A N THR 160.A OG1 no hydrogen 3.188 N/A LEU 164.A N THR 160.A O no hydrogen 3.009 N/A HIS 165.A N VAL 161.A O no hydrogen 2.963 N/A GLU 166.A N LYS 163.A O no hydrogen 3.152 N/A PHE 167.A N LEU 164.A O no hydrogen 3.049 N/A THR 168.A N ASP 171.A OD2 no hydrogen 2.741 N/A THR 168.A OG1 ASP 171.A OD2 no hydrogen 3.003 N/A ASP 171.A N THR 168.A OG1 no hydrogen 3.078 N/A PHE 172.A N THR 168.A O no hydrogen 3.306 N/A GLU 173.A N GLU 169.A O no hydrogen 3.032 N/A GLU 174.A N LYS 170.A O no hydrogen 2.888 N/A CYS 175.A N ASP 171.A O no hydrogen 3.191 N/A CYS 175.A SG ASP 171.A O no hydrogen 3.439 N/A ALA 177.A N PHE 172.A O no hydrogen 3.099 N/A ARG 180.A N ALA 177.A O no hydrogen 2.929 N/A ARG 180.A NE ALA 126.A O no hydrogen 2.874 N/A ARG 180.A NH1 ALA 177.A O no hydrogen 2.937 N/A ARG 180.A NH2 ALA 126.A O no hydrogen 3.017 N/A ARG 180.A NH2 ASN 127.A O no hydrogen 3.090 N/A ALA 181.A N GLY 178.A O no hydrogen 3.074 N/A LYS 182.A NZ PHE 179.A O no hydrogen 2.846 N/A LEU 184.A N ARG 180.A O no hydrogen 3.005 N/A LYS 185.A N ALA 181.A O no hydrogen 3.010 N/A LYS 185.A NZ ASP 189.A OD2.A no hydrogen 3.531 N/A ASP 186.A N LYS 182.A O no hydrogen 3.014 N/A THR 187.A N TYR 183.A O no hydrogen 2.930 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.893 N/A THR 187.A OG1 MET 217.A O.A no hydrogen 3.306 N/A THR 187.A OG1 MET 217.A O.B no hydrogen 3.317 N/A VAL 188.A N LEU 184.A O no hydrogen 2.890 N/A ASP 189.A N.A LYS 185.A O no hydrogen 3.040 N/A ASP 189.A N.B LYS 185.A O no hydrogen 3.050 N/A ARG 190.A N ASP 186.A O no hydrogen 3.120 N/A ARG 190.A NH1 LYS 215.A O no hydrogen 2.604 N/A ILE 191.A N THR 187.A O no hydrogen 3.089 N/A TYR 192.A N VAL 188.A O no hydrogen 2.847 N/A ASN 193.A N ASP 189.A O.A no hydrogen 2.914 N/A ASN 193.A N ASP 189.A O.B no hydrogen 2.910 N/A GLY 194.A N ILE 191.A O no hydrogen 3.098 N/A LEU 196.A N ARG 190.A O no hydrogen 3.287 N/A TYR 200.A N ASN 197.A OD1 no hydrogen 2.859 N/A ILE 201.A N ASN 197.A O no hydrogen 2.916 N/A LYS 202.A N LEU 198.A O no hydrogen 2.842 N/A LYS 202.A NZ SER 231.A O no hydrogen 2.961 N/A LYS 202.A NZ GLN 233.A OE1 no hydrogen 3.506 N/A SER 203.A N TYR 200.A O no hydrogen 3.080 N/A SER 203.A OG TYR 200.A O no hydrogen 2.571 N/A LEU 204.A N ILE 201.A O no hydrogen 3.171 N/A ASN 205.A ND2 GLU 208.A OE2 no hydrogen 2.716 N/A GLU 208.A N ASN 205.A OD1 no hydrogen 2.896 N/A CYS 209.A N ASN 205.A O no hydrogen 2.847 N/A CYS 209.A SG ILE 201.A O no hydrogen 3.458 N/A HIS 210.A N ASP 206.A O no hydrogen 3.042 N/A GLU 211.A N ASN 207.A O no hydrogen 3.133 N/A GLU 212.A N GLU 208.A O no hydrogen 3.075 N/A LEU 213.A N CYS 209.A O no hydrogen 3.051 N/A LYS 214.A N HIS 210.A O no hydrogen 3.239 N/A LYS 215.A N GLU 212.A O no hydrogen 2.990 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 2.722 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 3.283 N/A PHE 216.A N LEU 213.A O no hydrogen 3.115 N/A VAL 219.A N PHE 216.A O no hydrogen 3.196 N/A ALA 224.A N GLY 220.A O no hydrogen 2.877 N/A ASP 225.A N PRO 221.A O no hydrogen 3.149 N/A CYS 226.A N GLN 222.A O.A no hydrogen 3.030 N/A CYS 226.A N GLN 222.A O.B no hydrogen 3.056 N/A CYS 226.A SG GLN 222.A O.A no hydrogen 3.581 N/A CYS 226.A SG GLN 222.A O.B no hydrogen 3.582 N/A CYS 226.A SG GLN 222.A OE1.A no hydrogen 3.656 N/A ILE 227.A N VAL 223.A O no hydrogen 2.942 N/A MET 228.A N ALA 224.A O no hydrogen 2.980 N/A LEU 229.A N ASP 225.A O no hydrogen 2.934 N/A PHE 230.A N CYS 226.A O no hydrogen 2.863 N/A SER 231.A N ILE 227.A O no hydrogen 2.946 N/A SER 231.A OG ILE 227.A O no hydrogen 2.775 N/A MET 232.A N MET 228.A O no hydrogen 3.081 N/A LYS 234.A N MET 228.A O no hydrogen 3.003 N/A LYS 234.A NZ LYS 202.A O no hydrogen 2.818 N/A LYS 234.A NZ LEU 204.A O no hydrogen 2.721 N/A SER 236.A N ASP 206.A OD2 no hydrogen 3.034 N/A SER 236.A OG ASP 206.A OD2 no hydrogen 2.558 N/A ALA 237.A N LYS 234.A O no hydrogen 3.197 N/A PHE 238.A N ASP 225.A OD2 no hydrogen 3.062 N/A TRP 243.A N ASP 241.A OD1 no hydrogen 3.239 N/A VAL 244.A N ASP 241.A OD2 no hydrogen 2.863 N/A LYS 245.A N ASP 241.A O no hydrogen 2.984 N/A LYS 246.A N THR 242.A O no hydrogen 3.138 N/A ALA 247.A N TRP 243.A O no hydrogen 2.972 N/A MET 248.A N VAL 244.A O no hydrogen 2.873 N/A MET 249.A N LYS 245.A O no hydrogen 2.936 N/A SER 250.A N LYS 246.A O no hydrogen 3.081 N/A SER 250.A N ALA 247.A O no hydrogen 3.238 N/A LEU 251.A N ALA 247.A O no hydrogen 3.212 N/A TYR 252.A N MET 248.A O no hydrogen 2.723 N/A TYR 252.A OH ASP 95.A OD1 no hydrogen 2.687 N/A VAL 253.A N MET 248.A O no hydrogen 2.885 N/A VAL 257.A N ALA 254.A O no hydrogen 3.442 N/A LYS 260.A NZ ASP 264.A OD2 no hydrogen 3.067 N/A LYS 261.A N SER 258.A OG no hydrogen 3.142 N/A ILE 262.A N SER 258.A O no hydrogen 3.005 N/A ARG 263.A N LEU 259.A O no hydrogen 2.887 N/A ARG 263.A NE ASP 225.A OD2 no hydrogen 2.670 N/A ARG 263.A NH2 ASP 225.A OD1 no hydrogen 2.971 N/A ARG 263.A NH2 ASP 225.A OD2 no hydrogen 3.476 N/A ASP 264.A N LYS 260.A O no hydrogen 2.962 N/A PHE 265.A N LYS 261.A O no hydrogen 2.950 N/A GLY 266.A N ILE 262.A O no hydrogen 2.968 N/A ARG 267.A N ARG 263.A O no hydrogen 2.998 N/A ARG 267.A NE SER 236.A O no hydrogen 2.754 N/A ARG 267.A NH1 ASN 207.A OD1 no hydrogen 3.102 N/A ARG 267.A NH2 ASN 207.A OD1 no hydrogen 2.850 N/A ARG 267.A NH2 SER 236.A OG no hydrogen 2.884 N/A GLU 268.A N ASP 264.A O no hydrogen 3.008 N/A LYS 269.A N PHE 265.A O no hydrogen 2.994 N/A PHE 270.A N GLY 266.A O no hydrogen 2.847 N/A GLY 271.A N ARG 267.A O no hydrogen 2.963 N/A LEU 273.A N PHE 270.A O no hydrogen 3.027 N/A SER 274.A N GLY 271.A O no hydrogen 3.033 N/A SER 274.A OG GLY 266.A O no hydrogen 3.490 N/A SER 274.A OG GLY 271.A O no hydrogen 2.714 N/A GLY 275.A N TYR 235.A O no hydrogen 2.775 N/A ALA 277.A N LEU 273.A O no hydrogen 2.983 N/A GLN 278.A N SER 274.A O no hydrogen 2.836 N/A GLN 278.A NE2 GLY 275.A O no hydrogen 3.171 N/A GLN 278.A NE2 GLN 279.A OE1 no hydrogen 2.864 N/A GLN 279.A N GLY 275.A O no hydrogen 3.126 N/A GLN 279.A NE2 CYS 29.A O no hydrogen 2.854 N/A TYR 280.A N PHE 276.A O no hydrogen 3.156 N/A LEU 281.A N ALA 277.A O no hydrogen 3.055 N/A PHE 282.A N GLN 278.A O no hydrogen 2.823 N/A TYR 283.A N GLN 279.A O no hydrogen 3.010 N/A TYR 283.A OH ASP 25.A OD1 no hydrogen 3.256 N/A TYR 284.A N TYR 280.A O no hydrogen 3.114 N/A ALA 285.A N LEU 281.A O no hydrogen 2.963 N/A ARG 286.A N PHE 282.A O no hydrogen 2.917 N/A GLU 287.A N TYR 283.A O no hydrogen 3.020 N/A ASN 288.A N TYR 284.A O no hydrogen 3.094 N/A ASN 289.A N ARG 286.A O no hydrogen 3.170 N/A ILE 290.A N ALA 285.A O no hydrogen 3.104 N/A GLN 291.A NE2 ASN 289.A O no hydrogen 2.731 N/A GLN 291.A NE2 ASN 289.A OD1 no hydrogen 2.654 N/A