Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kiq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 89.A O no hydrogen 2.796 N/A TYR 6.A N VAL 17.A O no hydrogen 2.979 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.681 N/A ARG 7.A NH1 GLU 16.A OE1 no hydrogen 3.353 N/A GLN 8.A N TRP 15.A O no hydrogen 3.044 N/A LEU 10.A N THR 13.A O no hydrogen 2.850 N/A THR 13.A N LEU 10.A O no hydrogen 3.103 N/A TRP 15.A N GLN 8.A O no hydrogen 2.731 N/A GLU 16.A N TYR 100.A OH no hydrogen 2.857 N/A VAL 17.A N TYR 6.A O no hydrogen 3.243 N/A GLU 19.A N THR 4.A O no hydrogen 2.805 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 2.863 N/A ARG 20.A NH2 ASP 40.A OD1 no hydrogen 3.185 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 2.854 N/A TYR 21.A N PRO 18.A O no hydrogen 3.324 N/A TYR 21.A OH ASP 85.A OD2 no hydrogen 2.703 N/A GLN 22.A N PHE 39.A O no hydrogen 2.813 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.792 N/A SER 25.A N ALA 37.A O no hydrogen 2.904 N/A VAL 27.A N VAL 35.A O no hydrogen 2.909 N/A GLY 30.A N GLY 33.A O no hydrogen 2.990 N/A TYR 32.A OH LEU 168.A O no hydrogen 3.264 N/A VAL 35.A N GLY 28.A O no hydrogen 2.841 N/A CYS 36.A N VAL 49.A O no hydrogen 2.799 N/A ALA 37.A N SER 25.A O no hydrogen 2.754 N/A ALA 38.A N VAL 47.A O no hydrogen 2.784 N/A PHE 39.A N GLN 22.A O no hydrogen 2.786 N/A ASP 40.A N LEU 45.A O no hydrogen 2.882 N/A THR 41.A N ARG 20.A O no hydrogen 2.787 N/A THR 41.A OG1 ARG 20.A O no hydrogen 2.976 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 3.157 N/A THR 43.A N ASP 40.A O no hydrogen 3.230 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.974 N/A GLY 44.A N ASP 40.A O no hydrogen 2.720 N/A LEU 45.A N THR 43.A OG1 no hydrogen 3.295 N/A VAL 47.A N ALA 38.A O no hydrogen 2.793 N/A ALA 48.A N THR 103.A O no hydrogen 2.809 N/A VAL 49.A N CYS 36.A O no hydrogen 2.780 N/A LYS 50.A N LEU 101.A O no hydrogen 2.789 N/A LYS 50.A NZ GLY 30.A O no hydrogen 3.145 N/A LYS 50.A NZ ALA 31.A O no hydrogen 2.763 N/A LYS 50.A NZ GLU 68.A OE2 no hydrogen 2.762 N/A LYS 51.A N SER 34.A O no hydrogen 3.050 N/A LYS 51.A NZ THR 13.A OG1 no hydrogen 3.000 N/A LYS 51.A NZ ILE 14.A O no hydrogen 2.664 N/A LEU 52.A N VAL 99.A O no hydrogen 3.022 N/A SER 53.A N TYR 32.A O no hydrogen 2.954 N/A ARG 54.A NH1 GLN 57.A OE1 no hydrogen 3.289 N/A GLN 57.A N ARG 54.A O no hydrogen 3.352 N/A HIS 61.A N SER 58.A OG no hydrogen 3.171 N/A HIS 61.A ND1 ARG 54.A O no hydrogen 2.750 N/A ALA 62.A N SER 58.A O no hydrogen 3.245 N/A LYS 63.A N ILE 59.A O no hydrogen 3.025 N/A LYS 63.A NZ GLU 314.A O no hydrogen 2.842 N/A LYS 63.A NZ ARG 316.A O no hydrogen 3.039 N/A ARG 64.A N ILE 60.A O no hydrogen 3.091 N/A THR 65.A N HIS 61.A O no hydrogen 2.962 N/A THR 65.A OG1 PRO 55.A O no hydrogen 3.097 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.701 N/A TYR 66.A N ALA 62.A O no hydrogen 3.136 N/A ARG 67.A N LYS 63.A O no hydrogen 2.851 N/A ARG 67.A NE GLU 314.A OE1 no hydrogen 3.341 N/A ARG 67.A NE GLU 314.A OE2 no hydrogen 2.723 N/A ARG 67.A NH2 GLU 314.A OE1 no hydrogen 2.764 N/A GLU 68.A N ARG 64.A O no hydrogen 3.034 N/A LEU 69.A N THR 65.A O no hydrogen 3.099 N/A ARG 70.A N TYR 66.A O no hydrogen 2.907 N/A ARG 70.A NH1 TYR 66.A OH no hydrogen 2.971 N/A ARG 70.A NH2 ASP 310.A O no hydrogen 2.809 N/A LEU 71.A N ARG 67.A O no hydrogen 3.060 N/A LEU 72.A N GLU 68.A O no hydrogen 2.959 N/A LYS 73.A N LEU 69.A O no hydrogen 3.020 N/A LYS 73.A NZ GLU 330.A O no hydrogen 2.784 N/A LYS 73.A NZ GLU 330.A OE1 no hydrogen 2.787 N/A HIS 74.A N ARG 70.A O no hydrogen 3.263 N/A HIS 74.A N LEU 71.A O no hydrogen 3.117 N/A HIS 74.A NE2 ASP 307.A O no hydrogen 2.894 N/A MET 75.A N LEU 71.A O no hydrogen 3.096 N/A LYS 76.A N TYR 137.A OH no hydrogen 2.901 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.934 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 3.128 N/A VAL 80.A N HIS 77.A O no hydrogen 3.290 N/A ILE 81.A N ILE 163.A O no hydrogen 3.010 N/A LEU 84.A N VAL 102.A O no hydrogen 2.754 N/A ASP 85.A N VAL 102.A O no hydrogen 3.416 N/A VAL 86.A N ASP 85.A OD1 no hydrogen 2.930 N/A PHE 87.A N TYR 100.A O no hydrogen 3.104 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.762 N/A ALA 90.A N THR 88.A OG1 no hydrogen 3.349 N/A ARG 91.A N GLU 95.A OE1 no hydrogen 3.327 N/A GLU 95.A N SER 92.A O no hydrogen 3.283 N/A PHE 96.A N LEU 93.A O no hydrogen 3.307 N/A TYR 100.A N PHE 87.A O no hydrogen 3.039 N/A LEU 101.A N LYS 50.A O no hydrogen 2.933 N/A VAL 102.A N ASP 85.A O no hydrogen 2.800 N/A THR 103.A N ALA 48.A O no hydrogen 2.939 N/A THR 103.A OG1 HIS 104.A O no hydrogen 3.114 N/A LEU 105.A N ARG 46.A O no hydrogen 3.450 N/A ALA 108.A N VAL 155.A O no hydrogen 3.362 N/A LEU 110.A N PRO 150.A O no hydrogen 3.237 N/A LEU 110.A N LEU 153.A O no hydrogen 2.855 N/A ASN 111.A N ASP 109.A OD1 no hydrogen 3.037 N/A VAL 114.A N LEU 110.A O no hydrogen 3.023 N/A LYS 115.A N ASN 111.A O no hydrogen 2.791 N/A GLN 117.A N VAL 114.A O no hydrogen 3.006 N/A GLN 117.A NE2 VAL 114.A O no hydrogen 2.908 N/A LEU 119.A N LEU 202.A O no hydrogen 2.861 N/A VAL 124.A N THR 120.A O no hydrogen 2.997 N/A GLN 125.A N ASP 121.A O no hydrogen 2.915 N/A GLN 125.A NE2 ASP 121.A OD2 no hydrogen 2.981 N/A PHE 126.A N ASP 122.A O no hydrogen 3.118 N/A LEU 127.A N HIS 123.A O no hydrogen 3.119 N/A ILE 128.A N VAL 124.A O no hydrogen 2.915 N/A TYR 129.A N GLN 125.A O no hydrogen 2.963 N/A TYR 129.A OH GLU 303.A OE2 no hydrogen 2.661 N/A GLN 130.A N PHE 126.A O no hydrogen 3.218 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.303 N/A GLN 130.A NE2 CYS 159.A O no hydrogen 2.733 N/A ILE 131.A N LEU 127.A O no hydrogen 3.227 N/A LEU 132.A N ILE 128.A O no hydrogen 2.957 N/A ARG 133.A N TYR 129.A O no hydrogen 2.902 N/A ARG 133.A NE ASP 302.A O no hydrogen 2.782 N/A ARG 133.A NH1 GLU 78.A OE1 no hydrogen 3.445 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 2.890 N/A ARG 133.A NH2 GLU 78.A OE1 no hydrogen 2.940 N/A ARG 133.A NH2 ASP 302.A O no hydrogen 3.069 N/A ARG 133.A NH2 ASP 302.A OD1 no hydrogen 3.374 N/A GLY 134.A N GLN 130.A O no hydrogen 3.019 N/A LEU 135.A N ILE 131.A O no hydrogen 2.886 N/A LYS 136.A N LEU 132.A O no hydrogen 2.935 N/A LYS 136.A NZ GLU 303.A O no hydrogen 2.739 N/A TYR 137.A N ARG 133.A O no hydrogen 3.378 N/A ILE 138.A N GLY 134.A O no hydrogen 3.013 N/A HIS 139.A N LEU 135.A O no hydrogen 2.747 N/A HIS 139.A NE2 ASP 191.A OD2 no hydrogen 2.746 N/A SER 140.A N LYS 136.A O no hydrogen 3.039 N/A SER 140.A OG LYS 136.A O no hydrogen 3.507 N/A SER 140.A OG TYR 137.A O no hydrogen 2.702 N/A ALA 141.A N ILE 138.A O no hydrogen 3.178 N/A ASP 142.A N HIS 139.A O no hydrogen 3.051 N/A ILE 143.A N ILE 138.A O no hydrogen 3.220 N/A HIS 145.A N ASP 191.A OD2 no hydrogen 2.756 N/A HIS 145.A NE2 LEU 164.A O no hydrogen 2.704 N/A ARG 146.A N ASP 191.A OD1 no hydrogen 2.816 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.250 N/A ASN 152.A N LYS 149.A O no hydrogen 2.966 N/A LEU 153.A N PRO 150.A O no hydrogen 3.345 N/A ALA 154.A N LYS 162.A O no hydrogen 2.917 N/A VAL 155.A N ALA 108.A O no hydrogen 2.788 N/A ASN 156.A N GLU 160.A O no hydrogen 2.814 N/A CYS 159.A N ASN 156.A O no hydrogen 3.196 N/A CYS 159.A SG HIS 123.A NE2 no hydrogen 3.186 N/A LEU 161.A N GLN 130.A OE1 no hydrogen 2.850 N/A LYS 162.A N ALA 154.A O no hydrogen 2.855 N/A LYS 162.A NZ GLU 78.A O no hydrogen 2.819 N/A ILE 163.A N ASN 79.A O no hydrogen 2.911 N/A LEU 164.A N ASN 152.A O no hydrogen 2.781 N/A GLY 167.A N ILE 144.A O no hydrogen 2.891 N/A ARG 172.A NH1 GLY 211.A O no hydrogen 3.069 N/A TRP 173.A NE1 GLY 211.A O no hydrogen 2.946 N/A TYR 174.A OH GLU 201.A OE1 no hydrogen 2.626 N/A ARG 175.A N ARG 172.A O no hydrogen 3.285 N/A ARG 175.A NH2 ASP 147.A OD1 no hydrogen 3.007 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.994 N/A ILE 179.A N ALA 176.A O no hydrogen 3.190 N/A MET 180.A N ALA 176.A O no hydrogen 3.440 N/A LEU 181.A N PRO 177.A O no hydrogen 2.750 N/A ASN 182.A N ILE 179.A O no hydrogen 3.132 N/A TRP 183.A N GLU 178.A O no hydrogen 2.957 N/A ASN 187.A ND2 SER 279.A O no hydrogen 3.183 N/A GLN 188.A NE2 HIS 139.A O no hydrogen 2.803 N/A THR 189.A N ASN 187.A OD1 no hydrogen 3.092 N/A THR 189.A OG1 ASN 187.A OD1 no hydrogen 2.662 N/A THR 189.A OG1 SER 279.A O no hydrogen 3.228 N/A VAL 190.A N ASN 187.A O no hydrogen 3.359 N/A ASP 191.A N GLN 188.A O no hydrogen 3.248 N/A TRP 193.A N THR 189.A O no hydrogen 3.159 N/A SER 194.A N VAL 190.A O no hydrogen 3.504 N/A SER 194.A OG LEU 148.A O no hydrogen 3.417 N/A SER 194.A OG TYR 174.A O no hydrogen 2.630 N/A VAL 195.A N ASP 191.A O no hydrogen 3.017 N/A GLY 196.A N ILE 192.A O no hydrogen 2.943 N/A CYS 197.A N TRP 193.A O no hydrogen 3.063 N/A CYS 197.A SG TRP 173.A O no hydrogen 3.943 N/A CYS 197.A SG TRP 193.A O no hydrogen 3.597 N/A ILE 198.A N SER 194.A O no hydrogen 3.083 N/A MET 199.A N VAL 195.A O no hydrogen 2.907 N/A ALA 200.A N GLY 196.A O no hydrogen 3.046 N/A GLU 201.A N CYS 197.A O no hydrogen 3.255 N/A LEU 202.A N ILE 198.A O no hydrogen 2.911 N/A LEU 203.A N MET 199.A O no hydrogen 3.091 N/A THR 204.A N ALA 200.A O no hydrogen 2.851 N/A THR 204.A OG1 ALA 200.A O no hydrogen 2.891 N/A THR 204.A OG1 ARG 206.A O no hydrogen 3.277 N/A GLY 205.A N GLU 201.A O no hydrogen 2.841 N/A ARG 206.A N THR 204.A OG1 no hydrogen 3.311 N/A GLY 211.A N PHE 209.A O no hydrogen 2.977 N/A GLY 211.A N GLN 217.A OE1 no hydrogen 3.045 N/A THR 212.A N ASP 216.A OD2 no hydrogen 2.801 N/A THR 212.A OG1 ASP 216.A OD2 no hydrogen 3.000 N/A ASP 216.A N ASP 213.A OD1 no hydrogen 2.830 N/A GLN 217.A N ASP 213.A O no hydrogen 2.835 N/A GLN 217.A NE2 PHE 209.A O no hydrogen 3.045 N/A LEU 218.A N HIS 214.A O no hydrogen 3.476 N/A LYS 219.A N ILE 215.A O no hydrogen 3.129 N/A LEU 220.A N ASP 216.A O no hydrogen 2.895 N/A ILE 221.A N GLN 217.A O no hydrogen 3.081 N/A LEU 222.A N LEU 218.A O no hydrogen 2.865 N/A ARG 223.A N LYS 219.A O no hydrogen 3.129 N/A VAL 225.A N ILE 221.A O no hydrogen 3.205 N/A GLY 226.A N LEU 222.A O no hydrogen 2.956 N/A THR 227.A N MET 251.A O no hydrogen 2.768 N/A LEU 232.A N GLY 229.A O no hydrogen 3.233 N/A LEU 233.A N GLY 229.A O no hydrogen 3.055 N/A LYS 234.A N ALA 230.A O no hydrogen 3.228 N/A LYS 235.A N LEU 232.A O no hydrogen 3.212 N/A LYS 235.A NZ ASP 278.A OD1 no hydrogen 3.479 N/A LYS 235.A NZ ASP 278.A OD2 no hydrogen 2.805 N/A ILE 236.A N LEU 233.A O no hydrogen 3.374 N/A SER 238.A OG SER 240.A OG no hydrogen 3.210 N/A SER 240.A OG SER 238.A OG no hydrogen 3.210 N/A ARG 242.A N SER 238.A O no hydrogen 3.078 N/A ARG 242.A NH1 ILE 236.A O no hydrogen 3.543 N/A ASN 243.A N GLU 239.A O no hydrogen 2.782 N/A TYR 244.A N SER 240.A O no hydrogen 3.019 N/A ILE 245.A N ALA 241.A O no hydrogen 3.371 N/A GLN 246.A N ARG 242.A O no hydrogen 3.428 N/A SER 247.A OG ASN 243.A O no hydrogen 3.558 N/A SER 247.A OG TYR 244.A O no hydrogen 2.695 N/A LEU 248.A N ILE 245.A O no hydrogen 3.384 N/A LYS 253.A NZ MET 254.A O no hydrogen 2.806 N/A LYS 253.A NZ GLU 272.A OE1 no hydrogen 2.819 N/A LYS 253.A NZ GLU 272.A OE2 no hydrogen 3.379 N/A MET 254.A N LEU 224.A O no hydrogen 2.873 N/A ASN 255.A ND2 ASN 258.A OD1 no hydrogen 3.664 N/A PHE 256.A N GLU 272.A OE2 no hydrogen 3.217 N/A ALA 257.A N ASN 255.A OD1 no hydrogen 3.362 N/A ASN 258.A N ASN 255.A O no hydrogen 3.246 N/A VAL 259.A N PHE 256.A O no hydrogen 3.002 N/A PHE 260.A N PHE 256.A O no hydrogen 2.908 N/A ALA 263.A N PHE 260.A O no hydrogen 3.239 N/A ASN 264.A ND2 ASP 121.A OD2 no hydrogen 2.749 N/A LEU 266.A N ASN 264.A OD1 no hydrogen 3.098 N/A ALA 267.A N ASN 264.A O no hydrogen 2.910 N/A VAL 268.A N ASN 264.A O no hydrogen 3.194 N/A ASP 269.A N PRO 265.A O no hydrogen 3.005 N/A LEU 270.A N LEU 266.A O no hydrogen 3.059 N/A LEU 271.A N ALA 267.A O no hydrogen 2.920 N/A GLU 272.A N VAL 268.A O no hydrogen 3.024 N/A LYS 273.A N ASP 269.A O no hydrogen 3.157 N/A LYS 273.A NZ ASP 269.A OD1 no hydrogen 3.113 N/A LYS 273.A NZ ASP 269.A OD2 no hydrogen 3.065 N/A MET 274.A N LEU 270.A O no hydrogen 2.876 N/A LEU 275.A N LEU 271.A O no hydrogen 2.785 N/A ASP 280.A N ASP 278.A OD1 no hydrogen 3.107 N/A LYS 281.A N ASP 278.A O no hydrogen 2.979 N/A ARG 282.A NE VAL 276.A O no hydrogen 2.901 N/A ARG 282.A NH1 GLU 178.A OE2 no hydrogen 2.771 N/A ARG 282.A NH1 THR 189.A O no hydrogen 2.960 N/A ARG 282.A NH2 GLU 178.A OE1 no hydrogen 2.923 N/A ARG 282.A NH2 GLU 178.A OE2 no hydrogen 3.356 N/A ARG 282.A NH2 VAL 276.A O no hydrogen 2.981 N/A ILE 283.A N LYS 273.A O no hydrogen 3.184 N/A THR 284.A N GLN 287.A OE1 no hydrogen 3.153 N/A GLN 287.A N THR 284.A OG1 no hydrogen 3.088 N/A ALA 288.A N THR 284.A O no hydrogen 2.939 N/A LEU 289.A N ALA 285.A O no hydrogen 3.130 N/A ALA 290.A N GLN 287.A O no hydrogen 3.181 N/A HIS 291.A N ALA 288.A O no hydrogen 3.174 N/A HIS 291.A NE2 ASP 269.A OD2 no hydrogen 2.784 N/A TYR 293.A N HIS 291.A ND1 no hydrogen 3.128 N/A TYR 293.A OH ASP 121.A OD1 no hydrogen 2.819 N/A PHE 294.A N HIS 291.A O no hydrogen 3.035 N/A ALA 295.A N ALA 292.A O no hydrogen 2.966 N/A GLN 296.A NE2 GLN 125.A OE1 no hydrogen 3.068 N/A TYR 297.A N PHE 294.A O no hydrogen 2.807 N/A TYR 297.A OH ASP 122.A OD1 no hydrogen 2.821 N/A HIS 298.A N PHE 294.A O no hydrogen 2.767 N/A HIS 298.A ND1 GLU 303.A OE2 no hydrogen 2.914 N/A ASP 299.A N GLU 303.A OE2 no hydrogen 3.224 N/A ASP 301.A N ASP 299.A OD1 no hydrogen 3.216 N/A ASP 302.A N ASP 299.A O no hydrogen 3.084 N/A ALA 306.A N SER 140.A OG no hydrogen 2.741 N/A GLN 311.A NE2 ALA 141.A O no hydrogen 3.450 N/A GLN 311.A NE2 ASP 142.A O no hydrogen 2.762 N/A SER 312.A N ASP 310.A OD1 no hydrogen 3.071 N/A SER 312.A OG ASP 310.A OD1 no hydrogen 2.728 N/A GLU 314.A N GLN 311.A O no hydrogen 3.193 N/A SER 315.A N SER 312.A O no hydrogen 3.180 N/A SER 315.A OG SER 312.A O no hydrogen 2.727 N/A ARG 316.A N PHE 313.A O no hydrogen 3.047 N/A LEU 319.A N GLU 322.A OE1 no hydrogen 2.989 N/A TRP 323.A N LEU 319.A O no hydrogen 3.096 N/A LYS 324.A N ILE 320.A O no hydrogen 2.815 N/A LYS 324.A NZ PHE 96.A O no hydrogen 2.956 N/A SER 325.A N ASP 321.A O no hydrogen 2.905 N/A LEU 326.A N GLU 322.A O no hydrogen 2.922 N/A THR 327.A N TRP 323.A O no hydrogen 2.977 N/A THR 327.A OG1 TRP 323.A O no hydrogen 2.725 N/A TYR 328.A N LYS 324.A O no hydrogen 2.879 N/A ASP 329.A N SER 325.A O no hydrogen 3.104 N/A GLU 330.A N LEU 326.A O no hydrogen 3.406 N/A VAL 331.A N THR 327.A O no hydrogen 2.972 N/A ILE 332.A N TYR 328.A O no hydrogen 3.028 N/A SER 333.A N ASP 329.A O no hydrogen 3.034 N/A SER 333.A OG ASP 329.A O no hydrogen 3.154 N/A PHE 334.A N VAL 331.A O no hydrogen 3.154 N/A