Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 6.A SG GLN 4.A OE1 no hydrogen 3.851 N/A ASN 12.A N ASN 320.A OD1 no hydrogen 3.145 N/A ASN 12.A ND2 THR 29.A O no hydrogen 2.953 N/A SER 14.A N ASN 12.A OD1 no hydrogen 3.160 N/A SER 14.A OG VAL 28.A O no hydrogen 2.786 N/A GLU 16.A N SER 14.A OG no hydrogen 3.195 N/A LYS 17.A NZ ASN 25.A O no hydrogen 3.144 N/A LYS 17.A NZ THR 27.A OG1 no hydrogen 3.067 N/A VAL 18.A N VAL 26.A O no hydrogen 2.770 N/A THR 20.A N GLU 23.A O no hydrogen 2.899 N/A THR 20.A OG1 GLU 23.A O no hydrogen 2.776 N/A GLU 23.A N THR 20.A OG1 no hydrogen 3.185 N/A ASN 25.A N ASP 19.A OD1 no hydrogen 2.924 N/A VAL 26.A N VAL 18.A O no hydrogen 2.770 N/A VAL 28.A N GLU 16.A O no hydrogen 3.086 N/A THR 29.A N LEU 318.A O no hydrogen 2.755 N/A THR 29.A OG1 HIS 30.A ND1 no hydrogen 2.962 N/A THR 29.A OG1 LEU 318.A O no hydrogen 3.428 N/A HIS 30.A ND1 THR 29.A OG1 no hydrogen 2.962 N/A LYS 32.A N LEU 314.A O no hydrogen 2.791 N/A ILE 34.A N LEU 312.A O no hydrogen 2.918 N/A LEU 35.A N ASP 33.A OD1 no hydrogen 3.202 N/A GLU 36.A N PHE 292.A O no hydrogen 2.857 N/A LYS 37.A N GLU 36.A OE2 no hydrogen 3.043 N/A LYS 37.A NZ ASP 33.A OD2 no hydrogen 2.763 N/A LYS 37.A NZ LEU 35.A O no hydrogen 2.818 N/A THR 38.A N GLU 36.A OE2 no hydrogen 3.009 N/A THR 38.A OG1 GLU 36.A OE2 no hydrogen 2.698 N/A ASN 40.A N ALA 285.A O no hydrogen 2.974 N/A GLY 41.A N HIS 39.A ND1 no hydrogen 3.101 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 2.823 N/A CYS 44.A N GLN 280.A OE1 no hydrogen 2.804 N/A CYS 44.A SG LYS 42.A O no hydrogen 3.808 N/A LYS 45.A N CYS 275.A O no hydrogen 3.050 N/A LYS 45.A NZ ASN 274.A OD1 no hydrogen 3.316 N/A ASN 47.A N THR 277.A O no hydrogen 2.971 N/A GLY 48.A N GLU 276.A OE1 no hydrogen 2.753 N/A ILE 49.A N LEU 46A.A O no hydrogen 3.108 N/A LEU 52.A N TYR 80.A O no hydrogen 2.732 N/A LEU 54.A N MET 82.A O no hydrogen 3.102 N/A CYS 57.A N LEU 54.A O no hydrogen 3.004 N/A SER 58.A N ASP 89.A O no hydrogen 3.031 N/A ILE 59.A N GLU 83.A OE2 no hydrogen 3.190 N/A ALA 60.A N TYR 100.A OH no hydrogen 2.934 N/A GLY 61.A N SER 58.A OG no hydrogen 3.089 N/A TRP 62.A N SER 58.A O no hydrogen 2.987 N/A LEU 63.A N ILE 59.A O no hydrogen 2.965 N/A LEU 64.A N ALA 60.A O no hydrogen 2.922 N/A GLY 65.A N GLY 61.A O no hydrogen 3.069 N/A GLY 65.A N TRP 62.A O no hydrogen 3.256 N/A ASN 66.A N GLY 61.A O no hydrogen 2.819 N/A ASN 66.A ND2 GLY 90A.A O no hydrogen 2.798 N/A GLU 68.A N ASN 66.A OD1 no hydrogen 2.958 N/A CYS 69.A N ASN 66.A O no hydrogen 2.775 N/A CYS 69.A SG ASP 89.A O no hydrogen 3.906 N/A ARG 71.A NH1 GLU 68.A O no hydrogen 3.448 N/A ARG 71.A NH2 LEU 54.A O no hydrogen 3.030 N/A LEU 72.A N CYS 69.A O no hydrogen 2.809 N/A LEU 73.A N ASP 70.A O no hydrogen 3.081 N/A TRP 78.A N LYS 111.A O no hydrogen 2.922 N/A SER 79.A N PRO 50.A O no hydrogen 3.256 N/A SER 79.A OG ILE 49.A O no hydrogen 2.636 N/A TYR 80.A OH CYS 44.A O no hydrogen 2.714 N/A ILE 81.A N GLY 264.A O no hydrogen 2.868 N/A MET 82.A N LEU 52.A O no hydrogen 2.811 N/A GLU 83.A N MET 266.A O no hydrogen 2.912 N/A LYS 84.A NZ ASP 56.A OD1 no hydrogen 2.876 N/A GLU 85.A N GLU 269.A OE2 no hydrogen 2.946 N/A ASP 89.A N ASP 56.A O no hydrogen 2.966 N/A SER 96.A N MET 227.A O no hydrogen 3.067 N/A ASN 98.A N PHE 229.A O no hydrogen 2.795 N/A ASN 98.A ND2 GLU 228.A OE2 no hydrogen 2.768 N/A ASN 98.A ND2 SER 230.A OG no hydrogen 3.083 N/A LEU 103.A N ASP 99.A O no hydrogen 3.099 N/A LYS 104.A N TYR 100.A O no hydrogen 2.983 N/A LYS 104.A NZ GLU 83.A OE1 no hydrogen 2.766 N/A HIS 105.A N GLU 101.A O no hydrogen 2.910 N/A LEU 106.A N GLU 102.A O no hydrogen 3.073 N/A LEU 107.A N LEU 103.A O no hydrogen 3.217 N/A SER 108.A N HIS 105.A O no hydrogen 3.157 N/A SER 108.A OG HIS 105.A O no hydrogen 2.719 N/A SER 109.A N LEU 106.A O no hydrogen 3.103 N/A SER 109.A OG LEU 106.A O no hydrogen 3.014 N/A VAL 110.A N LEU 107.A O no hydrogen 3.008 N/A LYS 111.A N LYS 259.A O no hydrogen 2.768 N/A LYS 115.A NZ LEU 73.A O no hydrogen 3.305 N/A LYS 115.A NZ ASN 147.A OD1 no hydrogen 2.855 N/A VAL 116.A N GLY 254.A O no hydrogen 2.798 N/A LEU 119.A N GLU 252.A O no hydrogen 2.989 N/A LYS 121.A N GLU 252.A OE2 no hydrogen 2.650 N/A ARG 123.A N PRO 120.A O no hydrogen 3.152 N/A TRP 124.A N LYS 121.A O no hydrogen 3.031 N/A HIS 127.A NE2 PRO 159.A O no hydrogen 2.647 N/A THR 128.A N THR 152.A O no hydrogen 2.956 N/A THR 128.A OG1 GLU 153.A O no hydrogen 2.662 N/A SER 133.A N SER 143.A O no hydrogen 2.668 N/A ALA 135.A N SER 133.A OG no hydrogen 2.968 N/A CYS 136.A N SER 133.A O no hydrogen 3.018 N/A ALA 137.A N ARG 134.A O no hydrogen 3.282 N/A VAL 138.A N ASN 141.A O no hydrogen 2.792 N/A ASN 141.A N VAL 138.A O no hydrogen 3.112 N/A SER 143.A N SER 133.A O no hydrogen 3.143 N/A ARG 146.A N GLY 65.A O no hydrogen 2.622 N/A ARG 146.A NE ASP 70.A OD1 no hydrogen 3.031 N/A ARG 146.A NE ASP 70.A OD2 no hydrogen 3.129 N/A ARG 146.A NH2 ASP 70.A OD2 no hydrogen 2.922 N/A ASN 147.A N LEU 64.A O no hydrogen 3.055 N/A ASN 147.A ND2 LEU 63.A O no hydrogen 2.616 N/A MET 148.A N PHE 145.A O no hydrogen 3.367 N/A VAL 149.A N ALA 250.A O no hydrogen 2.685 N/A TRP 150.A NE1 TYR 192.A OH no hydrogen 2.952 N/A THR 152.A N THR 128.A O no hydrogen 2.921 N/A GLU 153.A N LEU 191.A O no hydrogen 2.663 N/A LYS 154.A N ASN 157.A O no hydrogen 2.664 N/A LYS 154.A NZ THR 125.A O no hydrogen 3.107 N/A SER 156.A N GLU 153.A OE2 no hydrogen 2.880 N/A ASN 157.A N LYS 154.A O no hydrogen 3.038 N/A ALA 161.A N SER 244.A O no hydrogen 2.681 N/A GLY 163.A N PHE 242.A O no hydrogen 3.262 N/A SER 164.A OG ILE 240.A O no hydrogen 3.504 N/A SER 164.A OG ASN 241.A OD1 no hydrogen 2.809 N/A TYR 165.A N ILE 240.A O no hydrogen 2.951 N/A ASN 167.A N ASP 238.A O no hydrogen 2.809 N/A ASN 167.A ND2 GLU 171.A O no hydrogen 2.720 N/A ASN 167.A ND2 LEU 234.A O no hydrogen 3.059 N/A SER 169.A N ASN 167.A OD1 no hydrogen 3.067 N/A SER 169.A OG ASN 167.A OD1 no hydrogen 2.800 N/A GLU 171.A N SER 169.A OG no hydrogen 3.362 N/A GLN 172.A N GLU 171.A OE1 no hydrogen 2.821 N/A GLN 172.A NE2 ASP 235.A OD1 no hydrogen 3.130 N/A MET 173.A N LEU 234.A O no hydrogen 2.964 N/A LEU 174.A N PHE 255.A O no hydrogen 2.922 N/A ILE 175.A N THR 232.A O no hydrogen 2.970 N/A TRP 177.A N SER 230.A O no hydrogen 3.062 N/A GLY 178.A N ILE 249.A O no hydrogen 2.870 N/A VAL 179.A N GLU 228.A O no hydrogen 2.834 N/A HIS 180.A N ASN 247.A O no hydrogen 2.743 N/A HIS 180.A ND1 TYR 192.A OH no hydrogen 2.705 N/A HIS 180.A NE2 TYR 93.A OH no hydrogen 2.755 N/A HIS 181.A N ARG 226.A O no hydrogen 2.769 N/A HIS 181.A NE2 GLU 228.A OE1 no hydrogen 2.844 N/A ASN 183.A N GLU 187.A OE1 no hydrogen 2.662 N/A ASN 183.A ND2 ASP 184.A OD2 no hydrogen 3.121 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 2.821 N/A GLU 187.A N ASP 184.A OD1 no hydrogen 2.812 N/A GLN 188.A N ASP 184.A O no hydrogen 3.138 N/A GLN 188.A NE2 ASN 194.A O no hydrogen 3.198 N/A GLN 188.A NE2 ASN 247.A OD1 no hydrogen 2.833 N/A ARG 189.A N GLU 185.A O no hydrogen 2.868 N/A THR 190.A N THR 186.A O no hydrogen 2.998 N/A THR 190.A OG1 THR 186.A O no hydrogen 2.877 N/A LEU 191.A N GLU 187.A O no hydrogen 3.189 N/A TYR 192.A N GLN 188.A O no hydrogen 2.964 N/A TYR 192.A OH HIS 180.A ND1 no hydrogen 2.705 N/A GLN 193.A N ARG 189.A O no hydrogen 2.850 N/A ASN 194.A N TYR 192.A O no hydrogen 2.617 N/A ASN 194.A ND2 TYR 158.A O no hydrogen 2.925 N/A ASN 194.A ND2 THR 245.A O no hydrogen 2.781 N/A THR 197.A OG1 GLY 246.A O no hydrogen 3.525 N/A THR 197.A OG1 ASN 247.A OD1 no hydrogen 2.755 N/A TYR 198.A N THR 245.A OG1 no hydrogen 3.266 N/A TYR 198.A OH GLU 243.A OE2 no hydrogen 2.942 N/A VAL 199.A N SER 210.A O no hydrogen 2.727 N/A SER 200.A N GLU 243.A O no hydrogen 2.767 N/A VAL 201.A N LYS 208.A O no hydrogen 2.783 N/A GLY 202.A N ASN 241.A O no hydrogen 3.121 N/A THR 203.A N LEU 206.A O no hydrogen 2.859 N/A SER 204.A N ASP 238.A OD1 no hydrogen 3.344 N/A SER 204.A N ASP 238.A OD2 no hydrogen 3.319 N/A SER 204.A OG ASP 238.A OD1 no hydrogen 3.446 N/A SER 204.A OG ASP 238.A OD2 no hydrogen 2.882 N/A THR 205.A N THR 203.A OG1 no hydrogen 3.208 N/A LEU 206.A N THR 203.A OG1 no hydrogen 2.926 N/A LYS 208.A N VAL 201.A O no hydrogen 2.738 N/A LYS 208.A NZ SER 230.A OG no hydrogen 2.804 N/A SER 210.A N VAL 199.A O no hydrogen 2.874 N/A GLU 213.A N HIS 181.A ND1 no hydrogen 2.887 N/A ALA 215.A N PRO 182.A O no hydrogen 3.223 N/A ARG 217.A NH1 HIS 181.A O no hydrogen 3.287 N/A ARG 217.A NH1 PRO 182.A O no hydrogen 3.152 N/A ARG 217.A NH1 GLY 224.A O no hydrogen 3.038 N/A ARG 217.A NH2 GLU 213.A O no hydrogen 2.557 N/A VAL 220.A N GLN 223.A O no hydrogen 3.050 N/A ASN 221.A ND2 CYS 92.A O no hydrogen 2.649 N/A GLN 223.A N VAL 220.A O no hydrogen 2.957 N/A ARG 226.A N HIS 181.A O no hydrogen 2.792 N/A ARG 226.A NH1 PRO 218.A O no hydrogen 3.527 N/A ARG 226.A NH1 GLN 223.A O no hydrogen 2.896 N/A ARG 226.A NH1 GLY 225.A O no hydrogen 2.969 N/A ARG 226.A NH2 PRO 218.A O no hydrogen 2.700 N/A MET 227.A N PRO 94.A O no hydrogen 2.845 N/A GLU 228.A N VAL 179.A O no hydrogen 2.992 N/A PHE 229.A N SER 96.A O no hydrogen 2.878 N/A SER 230.A N TRP 177.A O no hydrogen 2.876 N/A TRP 231.A NE1 ASP 99.A O no hydrogen 2.964 N/A THR 232.A N ILE 175.A O no hydrogen 3.003 N/A LEU 234.A N MET 173.A O no hydrogen 2.794 N/A TRP 237.A N ASN 167.A O no hydrogen 2.649 N/A ASP 238.A N ASP 235.A O no hydrogen 3.060 N/A THR 239.A N ASP 238.A OD1 no hydrogen 2.887 N/A ILE 240.A N TYR 165.A O no hydrogen 2.810 N/A ASN 241.A N GLY 202.A O no hydrogen 2.799 N/A PHE 242.A N GLY 163.A O no hydrogen 2.762 N/A GLU 243.A N SER 200.A O no hydrogen 2.912 N/A SER 244.A N ALA 161.A O no hydrogen 2.819 N/A SER 244.A OG TYR 198.A O no hydrogen 3.132 N/A SER 244.A OG GLY 246.A O no hydrogen 2.908 N/A THR 245.A N TYR 198.A O no hydrogen 3.383 N/A GLY 246.A N SER 244.A OG no hydrogen 2.763 N/A ASN 247.A ND2 HIS 180.A O no hydrogen 2.783 N/A ASN 247.A ND2 GLN 188.A OE1 no hydrogen 2.957 N/A ILE 249.A N GLY 178.A O no hydrogen 2.859 N/A ALA 250.A N VAL 149.A O no hydrogen 2.910 N/A GLU 252.A N ASN 147.A O no hydrogen 2.913 N/A GLY 254.A N VAL 116.A O no hydrogen 2.818 N/A PHE 255.A N LEU 174.A O no hydrogen 2.789 N/A LYS 256.A N GLU 114C.A O no hydrogen 2.941 N/A LYS 256.A NZ SER 169.A O no hydrogen 2.856 N/A ILE 257.A N GLN 172.A O no hydrogen 3.051 N/A SER 258.A N HIS 112A.A O no hydrogen 2.979 N/A SER 258.A OG HIS 112A.A ND1 no hydrogen 2.931 N/A LYS 259.A N HIS 112A.A O no hydrogen 3.225 N/A ARG 260.A NE GLU 171.A OE2 no hydrogen 3.011 N/A ARG 260.A NH2 GLU 171.A OE1 no hydrogen 2.981 N/A ARG 260.A NH2 GLN 172.A OE1 no hydrogen 2.755 N/A SER 263.A N SER 108.A O no hydrogen 2.928 N/A SER 263.A OG SER 79.A O no hydrogen 3.086 N/A MET 266.A N ILE 81.A O no hydrogen 2.698 N/A LYS 267.A NZ GLU 83.A OE1 no hydrogen 2.883 N/A LYS 267.A NZ LYS 84.A O no hydrogen 2.917 N/A LYS 267.A NZ GLU 85.A O no hydrogen 3.522 N/A THR 268.A N GLU 83.A O no hydrogen 2.944 N/A GLY 270.A N THR 268.A OG1 no hydrogen 2.931 N/A THR 271.A OG1 GLU 53.A OE1 no hydrogen 3.437 N/A THR 271.A OG1 GLU 53.A OE2 no hydrogen 2.605 N/A LEU 272.A N GLU 53.A OE1 no hydrogen 2.955 N/A GLU 273.A N LEU 43.A O no hydrogen 3.020 N/A CYS 275.A N GLU 273.A O no hydrogen 2.818 N/A CYS 275.A SG LEU 43.A O no hydrogen 3.337 N/A CYS 275.A SG GLU 273.A O no hydrogen 3.619 N/A THR 277.A N LYS 45.A O no hydrogen 2.936 N/A THR 277.A OG1 CYS 279.A O no hydrogen 3.036 N/A CYS 279.A N THR 277.A OG1 no hydrogen 3.268 N/A GLN 280.A N ILE 300.A O no hydrogen 2.845 N/A GLN 280.A NE2 LYS 42.A O no hydrogen 2.878 N/A GLN 280.A NE2 THR 281.A O no hydrogen 2.928 N/A THR 281.A N GLY 284.A O no hydrogen 3.044 N/A THR 281.A OG1 GLY 284.A O no hydrogen 2.838 N/A LEU 283.A N THR 281.A OG1 no hydrogen 3.098 N/A GLY 284.A N THR 281.A O no hydrogen 3.082 N/A ALA 285.A N ASN 40.A OD1 no hydrogen 2.826 N/A ILE 286.A N CYS 279.A O no hydrogen 2.858 N/A THR 288.A OG1 GLU 36.A OE1 no hydrogen 2.603 N/A LEU 290.A N THR 288.A OG1 no hydrogen 3.238 N/A PHE 292.A N ILE 34.A O no hydrogen 3.327 N/A HIS 293.A N LYS 305.A O no hydrogen 2.929 N/A ASN 294.A N GLU 36.A O no hydrogen 3.090 N/A ASN 294.A ND2 SER 309.A O no hydrogen 3.021 N/A VAL 295.A N HIS 293.A ND1 no hydrogen 3.101 N/A LEU 298.A N HIS 296.A ND1 no hydrogen 3.008 N/A ILE 300.A N GLN 280.A O no hydrogen 2.770 N/A GLU 302.A N LYS 278.A O no hydrogen 2.867 N/A CYS 303.A SG THR 299.A OG1 no hydrogen 2.979 N/A CYS 303.A SG ILE 300.A O no hydrogen 3.750 N/A LYS 305.A N PRO 291.A O no hydrogen 2.911 N/A LYS 305.A NZ.A CYS 303.A O no hydrogen 3.010 N/A VAL 307.A N HIS 293.A O no hydrogen 3.119 N/A LYS 311.A NZ ASP 19.A OD2 no hydrogen 3.316 N/A LEU 314.A N LYS 32.A O no hydrogen 2.917 N/A THR 316.A N HIS 30.A O no hydrogen 3.238 N/A GLY 317.A N HIS 30.A O no hydrogen 2.940 N/A LEU 318.A N THR 29.A OG1 no hydrogen 3.125 N/A ARG 319.A NH1 GLU 23.A OE1 no hydrogen 3.070 N/A ASN 320.A N THR 27.A O no hydrogen 2.842 N/A ASN 320.A ND2 ASN 12.A O no hydrogen 3.249 N/A ASN 320.A ND2 SER 14.A O no hydrogen 2.938 N/A LEU 46A.A N ILE 49.A O no hydrogen 3.011 N/A HIS 112A.A N LYS 259.A O no hydrogen 3.372 N/A HIS 112A.A NE2 VAL 75A.A O no hydrogen 3.102 N/A GLY 261A.A N SER 109.A O no hydrogen 2.838 N/A GLU 114C.A N LYS 256.A O no hydrogen 2.859 N/A