Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5icp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 2.A OD2 no hydrogen 3.050 N/A LYS 6.A N ASP 2.A O no hydrogen 2.956 N/A VAL 7.A N TYR 3.A O no hydrogen 2.917 N/A LYS 8.A N ASP 4.A O no hydrogen 2.988 N/A LYS 8.A NZ GLU 12.A OE2 no hydrogen 2.958 N/A LEU 9.A N PHE 5.A O no hydrogen 3.048 N/A SER 10.A N LYS 6.A O no hydrogen 2.935 N/A SER 11.A N VAL 7.A O no hydrogen 2.845 N/A GLU 12.A N LYS 8.A O no hydrogen 2.970 N/A ARG 15.A NH1 SER 10.A O no hydrogen 2.985 N/A ARG 15.A NH1 ARG 13.A O no hydrogen 3.183 N/A ARG 15.A NH2 SER 10.A OG no hydrogen 3.361 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.714 N/A ASP 18.A N ARG 15.A O no hydrogen 3.065 N/A LEU 19.A N ARG 15.A O no hydrogen 3.024 N/A PHE 20.A N VAL 16.A O no hydrogen 2.953 N/A GLU 21.A N LYS 39.A O no hydrogen 2.714 N/A CYS 25.A N TYR 22.A O no hydrogen 3.032 N/A CYS 25.A SG GLU 23.A O no hydrogen 3.528 N/A LYS 26.A NZ HIS 34.A ND1 no hydrogen 3.033 N/A VAL 27.A N VAL 35.A O no hydrogen 2.806 N/A GLY 28.A N VAL 35.A O no hydrogen 3.143 N/A ARG 29.A NH1 GLY 33.A O no hydrogen 3.186 N/A ARG 29.A NH1 GLU 55.A OE1 no hydrogen 3.407 N/A ARG 29.A NH2 GLU 55.A OE1 no hydrogen 3.328 N/A GLY 30.A N GLY 33.A O no hydrogen 2.921 N/A GLY 33.A N GLY 30.A O no hydrogen 3.030 N/A HIS 34.A N GLN 53.A O no hydrogen 3.010 N/A VAL 35.A N GLY 28.A O no hydrogen 2.839 N/A TYR 36.A N LEU 51.A O no hydrogen 2.784 N/A LYS 37.A N CYS 25.A O no hydrogen 2.875 N/A ALA 38.A N TYR 49.A O no hydrogen 2.661 N/A LYS 39.A N GLU 21.A O no hydrogen 3.027 N/A LYS 39.A NZ ASP 46.A OD1 no hydrogen 2.733 N/A ARG 40.A NH1 ASP 45.A OD1 no hydrogen 3.449 N/A LYS 41.A N LEU 19.A O no hydrogen 2.982 N/A LYS 41.A NZ GLU 17.A O no hydrogen 2.556 N/A LYS 41.A NZ PHE 20.A O no hydrogen 3.518 N/A LYS 47.A N ASP 45.A OD2 no hydrogen 2.981 N/A TYR 49.A N ALA 38.A O no hydrogen 2.852 N/A TYR 49.A OH ASP 45.A OD1 no hydrogen 2.827 N/A TYR 49.A OH ASP 45.A OD2 no hydrogen 3.303 N/A ALA 50.A N PHE 97.A O no hydrogen 2.800 N/A LEU 51.A N TYR 36.A O no hydrogen 2.831 N/A LYS 52.A N LEU 95.A O no hydrogen 2.872 N/A LYS 52.A NZ GLU 66.A OE1 no hydrogen 3.366 N/A LYS 52.A NZ GLU 66.A OE2 no hydrogen 2.587 N/A GLN 53.A N HIS 34.A O no hydrogen 2.870 N/A ILE 54.A N VAL 93.A O no hydrogen 2.957 N/A GLU 55.A N TYR 32.A O no hydrogen 3.123 N/A GLY 58.A N ARG 91.A O no hydrogen 2.736 N/A ALA 63.A N SER 60.A OG no hydrogen 3.175 N/A CYS 64.A N SER 60.A O no hydrogen 2.653 N/A ARG 65.A N MET 61.A O no hydrogen 2.930 N/A ARG 65.A NE PHE 169.A O no hydrogen 2.892 N/A GLU 66.A N SER 62.A O no hydrogen 2.897 N/A ILE 67.A N ALA 63.A O no hydrogen 2.839 N/A ALA 68.A N CYS 64.A O no hydrogen 2.871 N/A LEU 69.A N ARG 65.A O no hydrogen 2.948 N/A LEU 70.A N GLU 66.A O no hydrogen 3.067 N/A ARG 71.A N ILE 67.A O no hydrogen 2.924 N/A ARG 71.A NH1 ARG 71.A O no hydrogen 3.125 N/A GLU 72.A N LEU 69.A O no hydrogen 3.012 N/A LEU 73.A N LEU 69.A O no hydrogen 2.896 N/A LYS 74.A N TYR 134.A OH no hydrogen 2.799 N/A HIS 75.A NE2 ASP 130.A OD1 no hydrogen 3.126 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 3.126 N/A ASN 77.A ND2 GLN 127.A OE1 no hydrogen 2.997 N/A ASN 77.A ND2 VAL 162.A O no hydrogen 2.963 N/A VAL 78.A N HIS 75.A O no hydrogen 3.163 N/A ILE 79.A N ILE 164.A O no hydrogen 2.951 N/A GLN 82.A N LEU 96.A O no hydrogen 2.826 N/A LYS 83.A NZ GLU 14.A OE1 no hydrogen 2.893 N/A LYS 83.A NZ GLU 14.A OE2 no hydrogen 3.131 N/A PHE 85.A N TRP 94.A O no hydrogen 2.792 N/A SER 87.A N LYS 92.A O no hydrogen 2.989 N/A SER 87.A OG ASP 90.A OD1 no hydrogen 2.700 N/A LYS 92.A N SER 87.A O no hydrogen 3.201 N/A LYS 92.A NZ GLY 56.A O no hydrogen 2.785 N/A TRP 94.A N PHE 85.A O no hydrogen 2.886 N/A LEU 95.A N LYS 52.A O no hydrogen 2.922 N/A LEU 96.A N LYS 83.A O no hydrogen 2.824 N/A PHE 97.A N ALA 50.A O no hydrogen 2.792 N/A TYR 99.A N ASP 48.A O no hydrogen 3.154 N/A TYR 99.A OH GLU 101.A OE2 no hydrogen 2.967 N/A HIS 102.A N VAL 152.A O no hydrogen 3.124 N/A LEU 104.A N ILE 150.A O no hydrogen 2.961 N/A TRP 105.A N PRO 147.A O no hydrogen 3.217 N/A HIS 106.A N ASP 103.A OD1 no hydrogen 3.048 N/A HIS 106.A ND1 ASP 103.A OD1 no hydrogen 2.901 N/A HIS 106.A ND1 ASP 103.A OD2 no hydrogen 3.243 N/A ILE 107.A N ASP 103.A O no hydrogen 3.067 N/A ILE 108.A N LEU 104.A O no hydrogen 2.791 N/A LYS 109.A N TRP 105.A O no hydrogen 3.030 N/A PHE 110.A N HIS 106.A O no hydrogen 2.987 N/A HIS 111.A N ILE 107.A O no hydrogen 3.156 N/A HIS 111.A NE2 TYR 334.A OH no hydrogen 2.635 N/A ARG 112.A N ILE 108.A O no hydrogen 2.796 N/A ALA 113.A N LYS 109.A O no hydrogen 2.721 N/A SER 114.A N HIS 111.A O no hydrogen 3.246 N/A SER 114.A OG PHE 110.A O no hydrogen 3.025 N/A SER 114.A OG HIS 111.A O no hydrogen 3.525 N/A LYS 122.A NZ TYR 315.A O no hydrogen 2.924 N/A LYS 122.A NZ PRO 320.A O no hydrogen 2.732 N/A SER 123.A N GLY 119.A O no hydrogen 2.749 N/A SER 123.A OG GLY 119.A O no hydrogen 2.718 N/A SER 123.A OG THR 323.A OG1 no hydrogen 3.337 N/A LEU 124.A N MET 120.A O no hydrogen 2.893 N/A LEU 125.A N VAL 121.A O no hydrogen 3.003 N/A TYR 126.A N LYS 122.A O no hydrogen 2.972 N/A GLN 127.A N SER 123.A O no hydrogen 3.152 N/A GLN 127.A NE2 THR 323.A O no hydrogen 3.031 N/A GLN 127.A NE2 SER 324.A O no hydrogen 2.903 N/A ILE 128.A N LEU 124.A O no hydrogen 2.925 N/A LEU 129.A N LEU 125.A O no hydrogen 2.868 N/A ASP 130.A N TYR 126.A O no hydrogen 2.808 N/A GLY 131.A N GLN 127.A O no hydrogen 2.925 N/A ILE 132.A N ILE 128.A O no hydrogen 2.962 N/A HIS 133.A N LEU 129.A O no hydrogen 2.862 N/A TYR 134.A N ASP 130.A O no hydrogen 3.146 N/A LEU 135.A N GLY 131.A O no hydrogen 3.147 N/A HIS 136.A N ILE 132.A O no hydrogen 2.811 N/A HIS 136.A NE2 ASP 201.A OD2 no hydrogen 2.808 N/A ALA 137.A N HIS 133.A O no hydrogen 2.818 N/A ASN 138.A N TYR 134.A O no hydrogen 3.259 N/A ASN 138.A N LEU 135.A O no hydrogen 2.962 N/A ASN 138.A ND2 TYR 134.A O no hydrogen 2.830 N/A TRP 139.A N HIS 136.A O no hydrogen 2.904 N/A VAL 140.A N LEU 135.A O no hydrogen 2.940 N/A HIS 142.A N ASP 201.A OD2 no hydrogen 2.874 N/A HIS 142.A NE2 ALA 165.A O no hydrogen 2.800 N/A ARG 143.A N ASP 201.A OD1 no hydrogen 2.903 N/A ARG 143.A NE GLY 168.A O no hydrogen 3.504 N/A ARG 143.A NH1 ASN 174.A OD1 no hydrogen 2.674 N/A ARG 143.A NH2 GLY 168.A O no hydrogen 3.414 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.113 N/A LYS 146.A N ASN 149.A OD1.B no hydrogen 3.069 N/A LYS 146.A NZ ASP 144.A OD2 no hydrogen 3.565 N/A ASN 149.A N.A LYS 146.A O no hydrogen 2.997 N/A ASN 149.A N.B LYS 146.A O no hydrogen 3.047 N/A ASN 149.A ND2.A ASP 144.A O no hydrogen 2.932 N/A ASN 149.A ND2.B ASP 144.A O no hydrogen 2.691 N/A ILE 150.A N PRO 147.A O no hydrogen 3.365 N/A LEU 151.A N LYS 163.A O no hydrogen 2.869 N/A VAL 152.A N HIS 102.A O no hydrogen 2.809 N/A MET 153.A N ARG 161.A O no hydrogen 2.970 N/A ARG 159.A N GLY 156.A O no hydrogen 3.305 N/A ARG 159.A NE GLU 155.A OE1 no hydrogen 3.256 N/A ARG 159.A NE GLU 155.A OE2 no hydrogen 2.934 N/A ARG 159.A NH1 ASP 325.A OD2 no hydrogen 2.780 N/A ARG 159.A NH1 CYS 330.A O no hydrogen 3.106 N/A ARG 159.A NH2 GLU 155.A OE2 no hydrogen 3.053 N/A ARG 159.A NH2 CYS 330.A O no hydrogen 2.471 N/A GLY 160.A N MET 153.A O no hydrogen 2.915 N/A ARG 161.A N GLU 158.A O no hydrogen 2.999 N/A ARG 161.A NH1 GLU 158.A OE1 no hydrogen 3.047 N/A VAL 162.A N GLN 127.A OE1 no hydrogen 2.779 N/A LYS 163.A N LEU 151.A O no hydrogen 2.791 N/A LYS 163.A NZ PRO 76.A O no hydrogen 2.644 N/A LYS 163.A NZ GLU 158.A OE1 no hydrogen 2.636 N/A ILE 164.A N ASN 77.A O no hydrogen 2.865 N/A ALA 165.A N ASN 149.A O.A no hydrogen 2.918 N/A ALA 165.A N ASN 149.A O.B no hydrogen 3.002 N/A ARG 171.A NH1 ARG 143.A O no hydrogen 3.246 N/A ASN 174.A N ARG 171.A O no hydrogen 3.012 N/A ASN 174.A ND2 TYR 196.A O no hydrogen 3.141 N/A SER 175.A N LEU 172.A O no hydrogen 2.984 N/A SER 175.A OG ARG 194.A O no hydrogen 3.224 N/A LEU 177.A N SER 175.A OG no hydrogen 3.288 N/A TRP 183.A NE1 CYS 221.A O no hydrogen 2.899 N/A TYR 184.A OH GLU 211.A OE1 no hydrogen 2.526 N/A TYR 184.A OH GLU 211.A OE2 no hydrogen 3.394 N/A ARG 185.A N PHE 182.A O no hydrogen 3.228 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.772 N/A LEU 190.A N ALA 186.A O no hydrogen 3.409 N/A LEU 191.A N PRO 187.A O no hydrogen 2.869 N/A GLY 192.A N LEU 189.A O no hydrogen 3.081 N/A ALA 193.A N GLU 188.A O no hydrogen 2.804 N/A TYR 196.A N ASN 174.A O no hydrogen 3.053 N/A LYS 198.A NZ HIS 136.A O no hydrogen 3.330 N/A ILE 200.A N THR 197.A OG1 no hydrogen 3.125 N/A ILE 202.A N LYS 198.A O no hydrogen 3.126 N/A TRP 203.A N ALA 199.A O no hydrogen 2.989 N/A ALA 204.A N ILE 200.A O no hydrogen 3.359 N/A ILE 205.A N ASP 201.A O no hydrogen 3.054 N/A GLY 206.A N ILE 202.A O no hydrogen 2.989 N/A CYS 207.A N TRP 203.A O no hydrogen 2.946 N/A CYS 207.A SG TRP 183.A O no hydrogen 3.752 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.420 N/A ILE 208.A N ALA 204.A O no hydrogen 2.950 N/A PHE 209.A N ILE 205.A O no hydrogen 2.810 N/A ALA 210.A N GLY 206.A O no hydrogen 2.918 N/A GLU 211.A N CYS 207.A O no hydrogen 2.980 N/A LEU 212.A N ILE 208.A O no hydrogen 2.825 N/A LEU 213.A N PHE 209.A O no hydrogen 3.059 N/A THR 214.A N ALA 210.A O no hydrogen 3.029 N/A THR 214.A OG1 ALA 210.A O no hydrogen 3.201 N/A SER 215.A N GLU 211.A O no hydrogen 2.623 N/A GLU 216.A N THR 214.A OG1 no hydrogen 3.110 N/A HIS 220.A N PRO 217.A O no hydrogen 3.273 N/A CYS 221.A SG PHE 219.A O no hydrogen 4.030 N/A CYS 221.A SG GLN 232.A OE1 no hydrogen 3.101 N/A ARG 222.A NE ASP 231.A OD2 no hydrogen 3.109 N/A GLU 224.A N VAL 180.A O no hydrogen 2.837 N/A TYR 228.A N ASN 226.A OD1 no hydrogen 3.053 N/A TYR 228.A OH ASP 263.A OD2 no hydrogen 2.683 N/A HIS 230.A ND1 ASP 231.A OD1 no hydrogen 3.082 N/A GLN 232.A NE2 PHE 219.A O no hydrogen 2.874 N/A GLN 232.A NE2 GLN 232.A O no hydrogen 3.247 N/A LEU 233.A N HIS 229.A O no hydrogen 3.191 N/A ASP 234.A N HIS 230.A O no hydrogen 2.875 N/A ARG 235.A N ASP 231.A O no hydrogen 2.927 N/A ARG 235.A NE ILE 218.A O no hydrogen 3.066 N/A ARG 235.A NH2 ILE 218.A O no hydrogen 2.848 N/A ILE 236.A N GLN 232.A O no hydrogen 3.059 N/A PHE 237.A N LEU 233.A O no hydrogen 2.946 N/A ASN 238.A N ASP 234.A O no hydrogen 2.888 N/A VAL 239.A N ARG 235.A O no hydrogen 3.087 N/A MET 240.A N ILE 236.A O no hydrogen 2.683 N/A GLY 241.A N PHE 237.A O no hydrogen 2.729 N/A ALA 244.A N ASP 247.A OD2 no hydrogen 2.936 N/A ASP 247.A N ALA 244.A O no hydrogen 3.042 N/A TRP 248.A N ALA 244.A O no hydrogen 3.366 N/A TRP 248.A N ASP 245.A O no hydrogen 3.349 N/A ILE 251.A N TRP 248.A O no hydrogen 3.134 N/A LYS 253.A N ASP 250.A O no hydrogen 3.086 N/A MET 254.A N ILE 251.A O no hydrogen 3.082 N/A GLU 256.A N LEU 191.A O no hydrogen 2.989 N/A HIS 257.A N MET 254.A O no hydrogen 3.171 N/A THR 259.A OG1 GLU 256.A OE1 no hydrogen 2.890 N/A LEU 260.A N GLU 256.A O no hydrogen 2.970 N/A MET 261.A N HIS 257.A O no hydrogen 2.993 N/A LYS 262.A N SER 258.A O no hydrogen 2.981 N/A ASP 263.A N THR 259.A O no hydrogen 2.957 N/A PHE 264.A N LEU 260.A O no hydrogen 2.937 N/A ARG 266.A NH1 PHE 242.A O no hydrogen 3.077 N/A ARG 266.A NH1 PRO 243.A O no hydrogen 3.193 N/A ARG 266.A NH2 PRO 243.A O no hydrogen 2.931 N/A THR 268.A N ARG 265.A O no hydrogen 3.303 N/A THR 268.A OG1 ARG 265.A O no hydrogen 3.063 N/A TYR 269.A N ARG 266.A O no hydrogen 3.080 N/A TYR 269.A OH ASP 234.A OD1 no hydrogen 2.549 N/A THR 270.A N ASN 267.A O no hydrogen 3.337 N/A CYS 272.A N TYR 269.A O no hydrogen 3.067 N/A CYS 272.A SG ASN 238.A O no hydrogen 3.443 N/A CYS 272.A SG ASN 238.A OD1 no hydrogen 3.991 N/A LYS 276.A N SER 273.A OG no hydrogen 3.184 N/A LYS 276.A NZ ASN 271.A O no hydrogen 3.176 N/A TYR 277.A N SER 273.A O no hydrogen 2.990 N/A MET 278.A N LEU 274.A O no hydrogen 2.897 N/A GLU 279.A N ILE 275.A O no hydrogen 2.903 N/A LYS 280.A N LYS 276.A O no hydrogen 3.231 N/A LYS 280.A N TYR 277.A O no hydrogen 3.173 N/A HIS 281.A N MET 278.A O no hydrogen 3.196 N/A LYS 282.A N GLU 279.A O no hydrogen 3.374 N/A VAL 283.A N MET 278.A O no hydrogen 2.965 N/A SER 287.A N LYS 284.A O no hydrogen 3.156 N/A SER 287.A OG LYS 284.A O no hydrogen 2.628 N/A PHE 290.A N SER 287.A OG no hydrogen 3.004 N/A HIS 291.A N SER 287.A O no hydrogen 3.209 N/A LEU 292.A N LYS 288.A O no hydrogen 3.034 N/A LEU 293.A N ALA 289.A O no hydrogen 2.964 N/A GLN 294.A N PHE 290.A O no hydrogen 2.882 N/A LYS 295.A N HIS 291.A O no hydrogen 3.316 N/A LEU 296.A N LEU 292.A O no hydrogen 3.095 N/A LEU 297.A N LEU 293.A O no hydrogen 2.955 N/A THR 298.A OG1 GLN 294.A O no hydrogen 3.288 N/A THR 298.A OG1 LYS 295.A O no hydrogen 2.997 N/A ILE 302.A N ASP 300.A OD1 no hydrogen 3.216 N/A LYS 303.A N ASP 300.A O no hydrogen 2.948 N/A ARG 304.A N PRO 301.A O no hydrogen 3.153 N/A ARG 304.A NE THR 298.A O no hydrogen 2.746 N/A ARG 304.A NH1 GLU 188.A OE2 no hydrogen 2.836 N/A ARG 304.A NH1 ALA 199.A O no hydrogen 2.947 N/A ARG 304.A NH2 GLU 188.A OE1 no hydrogen 2.965 N/A ARG 304.A NH2 THR 298.A O no hydrogen 3.063 N/A ARG 304.A NH2 MET 299.A O no hydrogen 2.901 N/A ILE 305.A N LYS 295.A O no hydrogen 3.467 N/A THR 306.A N GLN 309.A OE1 no hydrogen 3.086 N/A THR 306.A OG1 GLU 308.A OE2 no hydrogen 3.059 N/A SER 307.A OG GLU 308.A OE1 no hydrogen 3.203 N/A GLN 309.A N THR 306.A OG1 no hydrogen 3.302 N/A ALA 310.A N THR 306.A O no hydrogen 3.017 N/A MET 311.A N SER 307.A O no hydrogen 2.954 N/A GLN 312.A N GLU 308.A O no hydrogen 3.132 N/A GLN 312.A N GLN 309.A O no hydrogen 3.227 N/A ASP 313.A N ALA 310.A O no hydrogen 3.086 N/A TYR 315.A N ASP 313.A OD2 no hydrogen 2.879 N/A PHE 316.A N ASP 313.A O no hydrogen 3.138 N/A LEU 317.A N PRO 314.A O no hydrogen 2.977 N/A GLU 318.A N TYR 315.A O no hydrogen 3.337 N/A THR 323.A N SER 123.A OG no hydrogen 2.792 N/A THR 323.A OG1 SER 123.A OG no hydrogen 3.337 N/A THR 323.A OG1 ASP 325.A O no hydrogen 2.535 N/A VAL 326.A N GLY 160.A O no hydrogen 2.880 N/A PHE 327.A N ASP 325.A OD1 no hydrogen 2.953 N/A ALA 328.A N ASP 325.A O no hydrogen 2.909 N/A GLY 329.A N ASP 325.A OD2 no hydrogen 3.142 N/A CYS 330.A N PHE 327.A O no hydrogen 3.044 N/A TYR 334.A OH HIS 111.A NE2 no hydrogen 2.635 N/A ARG 337.A N GLU 101.A OE2 no hydrogen 2.884 N/A ARG 337.A NE ALA 100.A O no hydrogen 3.041 N/A ARG 337.A NH1 ASP 103.A OD2 no hydrogen 2.772 N/A ARG 337.A NH2 ALA 100.A O no hydrogen 3.163 N/A ARG 337.A NH2 ASP 103.A OD2 no hydrogen 2.761 N/A LEU 340.A N LYS 26.A O no hydrogen 2.756 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.891 N/A