Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ki1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLU 1.A O no hydrogen 3.183 N/A ARG 6.A N LEU 2.A O no hydrogen 2.992 N/A GLN 7.A N ASP 3.A O no hydrogen 3.324 N/A GLU 8.A N GLN 4.A O no hydrogen 3.128 N/A ALA 9.A N LEU 5.A O no hydrogen 2.993 N/A ALA 9.A N ARG 6.A O no hydrogen 3.035 N/A GLU 10.A N ARG 6.A O no hydrogen 3.219 N/A LEU 12.A N GLU 8.A O no hydrogen 3.127 N/A LYS 13.A N ALA 9.A O no hydrogen 2.811 N/A ASN 14.A N GLU 10.A O no hydrogen 2.630 N/A GLN 15.A N GLN 11.A O no hydrogen 2.921 N/A ILE 16.A N LEU 12.A O no hydrogen 3.094 N/A ARG 17.A N LYS 13.A O no hydrogen 3.101 N/A ASP 18.A N ASN 14.A O no hydrogen 2.862 N/A ALA 19.A N GLN 15.A O no hydrogen 2.792 N/A ARG 20.A N ILE 16.A O no hydrogen 2.895 N/A ARG 20.A N ARG 17.A O no hydrogen 3.301 N/A ARG 20.A NE ASP 256.A O no hydrogen 2.682 N/A ARG 20.A NH2 THR 219.A O no hydrogen 2.786 N/A ARG 20.A NH2 ASP 256.A OD1 no hydrogen 3.175 N/A LYS 21.A N ARG 17.A O no hydrogen 3.049 N/A ALA 22.A N ASP 18.A O no hydrogen 3.194 N/A CYS 23.A SG ALA 19.A O no hydrogen 3.378 N/A CYS 23.A SG ARG 20.A O no hydrogen 3.324 N/A THR 27.A N GLN 30.A OE1 no hydrogen 3.098 N/A GLN 30.A N THR 27.A O no hydrogen 2.945 N/A ILE 31.A N THR 27.A O no hydrogen 3.256 N/A THR 32.A N LEU 28.A O no hydrogen 2.950 N/A THR 32.A OG1 LEU 28.A O no hydrogen 2.585 N/A THR 32.A OG1 LEU 298.A O no hydrogen 2.429 N/A ASN 33.A ND2 SER 29.A O no hydrogen 3.363 N/A ILE 41.A N ALA 303.A O no hydrogen 2.626 N/A ARG 46.A N ILE 336.A O no hydrogen 2.695 N/A ARG 47.A N ILE 336.A O no hydrogen 3.425 N/A ARG 47.A NE SER 82.A O no hydrogen 2.816 N/A ARG 47.A NE TYR 83.A O no hydrogen 3.024 N/A ARG 47.A NH1 ARG 46.A O no hydrogen 3.268 N/A ARG 47.A NH2 TYR 83.A O no hydrogen 2.854 N/A LEU 49.A N LEU 334.A O no hydrogen 2.666 N/A HIS 52.A NE2 SER 70.A OG no hydrogen 2.801 N/A LEU 53.A N ASP 74.A OD2 no hydrogen 2.681 N/A ALA 54.A N ASP 74.A OD2 no hydrogen 3.088 N/A LYS 55.A NZ GLN 73.A OE1 no hydrogen 3.372 N/A ILE 56.A N SER 329.A O no hydrogen 3.060 N/A TYR 57.A N ALA 71.A O no hydrogen 2.848 N/A ALA 58.A N ALA 71.A O no hydrogen 3.468 N/A HIS 60.A N VAL 69.A O no hydrogen 2.961 N/A TRP 61.A NE1 GLY 317.A O no hydrogen 3.067 N/A GLY 62.A N LEU 67.A O no hydrogen 2.702 N/A THR 63.A OG1 PRO 105.A O no hydrogen 2.726 N/A SER 65.A N GLY 62.A O no hydrogen 2.951 N/A SER 65.A OG ASP 321.A OD1 no hydrogen 3.063 N/A ARG 66.A NE ASP 81.A OD2 no hydrogen 2.971 N/A ARG 66.A NH2 ASP 81.A OD2 no hydrogen 3.262 N/A LEU 68.A N TRP 80.A O no hydrogen 3.273 N/A VAL 69.A N HIS 60.A O no hydrogen 3.019 N/A SER 70.A N ILE 78.A O no hydrogen 2.951 N/A SER 70.A OG HIS 52.A NE2 no hydrogen 2.801 N/A ALA 71.A N ALA 58.A O no hydrogen 2.871 N/A SER 72.A N LYS 76.A O no hydrogen 3.405 N/A SER 72.A OG HIS 52.A ND1 no hydrogen 2.715 N/A SER 72.A OG ASP 74.A OD2 no hydrogen 2.727 N/A GLN 73.A N LYS 55.A O no hydrogen 3.248 N/A GLN 73.A NE2 VAL 98.A O no hydrogen 2.567 N/A GLY 75.A N SER 72.A O no hydrogen 3.208 N/A LEU 77.A N ILE 91.A O no hydrogen 2.858 N/A ILE 78.A N SER 70.A O no hydrogen 3.217 N/A ILE 79.A N HIS 89.A O no hydrogen 2.844 N/A TRP 80.A N LEU 68.A O no hydrogen 2.843 N/A TRP 80.A NE1 SER 70.A OG no hydrogen 2.772 N/A ASP 81.A N ASN 86.A O no hydrogen 2.764 N/A SER 82.A N ARG 66.A O no hydrogen 2.951 N/A SER 82.A OG ARG 66.A O no hydrogen 2.396 N/A THR 84.A N ASP 81.A OD1 no hydrogen 2.867 N/A THR 85.A N ASP 81.A O no hydrogen 2.596 N/A THR 85.A OG1 THR 84.A O no hydrogen 2.575 N/A ASN 86.A N THR 84.A OG1 no hydrogen 3.285 N/A LYS 87.A NZ ARG 50.A O no hydrogen 2.746 N/A VAL 88.A N ILE 79.A O no hydrogen 2.622 N/A HIS 89.A N ILE 79.A O no hydrogen 3.455 N/A ILE 91.A N LEU 77.A O no hydrogen 2.577 N/A LEU 93.A N GLY 75.A O no hydrogen 2.932 N/A ARG 94.A NE GLU 136.A OE1 no hydrogen 3.446 N/A SER 96.A OG GLN 73.A O no hydrogen 2.615 N/A MET 99.A N GLY 113.A O no hydrogen 2.641 N/A THR 100.A N GLY 113.A O no hydrogen 3.246 N/A CYS 101.A SG VAL 69.A O no hydrogen 3.628 N/A ALA 102.A N ALA 111.A O no hydrogen 2.924 N/A TYR 103.A N HIS 60.A ND1 no hydrogen 2.991 N/A ALA 104.A N TYR 109.A O no hydrogen 2.928 N/A SER 106.A OG ASP 152.A OD1 no hydrogen 2.517 N/A SER 106.A OG ASP 152.A OD2 no hydrogen 3.269 N/A GLY 107.A N ALA 104.A O no hydrogen 2.913 N/A VAL 110.A N TYR 122.A O no hydrogen 3.165 N/A ALA 111.A N ALA 102.A O no hydrogen 2.846 N/A CYS 112.A N SER 120.A O no hydrogen 3.208 N/A LEU 115.A N TRP 97.A O no hydrogen 3.120 N/A ASN 117.A N GLY 114.A O no hydrogen 3.207 N/A ILE 118.A N ASP 116.A OD1 no hydrogen 3.362 N/A CYS 119.A N LEU 137.A O no hydrogen 3.058 N/A SER 120.A N CYS 112.A O no hydrogen 2.863 N/A ILE 121.A N ARG 135.A O no hydrogen 2.830 N/A TYR 122.A N VAL 110.A O no hydrogen 2.867 N/A ASN 123.A N ARG 132.A O no hydrogen 2.992 N/A LEU 124.A N ASN 108.A O no hydrogen 2.813 N/A LYS 125.A NZ ASN 108.A OD1 no hydrogen 3.194 N/A ARG 127.A N THR 126.A OG1 no hydrogen 2.556 N/A ASN 130.A N GLU 128.A OE2 no hydrogen 2.857 N/A SER 134.A N ILE 121.A O no hydrogen 2.713 N/A SER 134.A OG ILE 121.A O no hydrogen 3.084 N/A LEU 137.A N CYS 119.A O no hydrogen 2.806 N/A HIS 140.A ND1 ASP 161.A OD2 no hydrogen 3.021 N/A HIS 140.A NE2 THR 157.A OG1 no hydrogen 2.992 N/A THR 141.A N ASP 161.A OD2 no hydrogen 2.784 N/A THR 141.A OG1 ASP 161.A OD2 no hydrogen 3.522 N/A TYR 143.A OH ASP 184.A OD2 no hydrogen 2.839 N/A LEU 144.A N GLY 114.A O no hydrogen 2.873 N/A SER 145.A N SER 158.A O no hydrogen 2.893 N/A SER 145.A OG SER 158.A O no hydrogen 3.276 N/A SER 145.A OG SER 158.A OG no hydrogen 3.117 N/A SER 145.A OG VAL 185.A O no hydrogen 2.384 N/A CYS 146.A SG LEU 188.A O no hydrogen 3.689 N/A ARG 148.A N VAL 156.A O no hydrogen 2.824 N/A ARG 148.A NH1 CYS 101.A O no hydrogen 3.028 N/A LEU 150.A N GLN 154.A O no hydrogen 3.148 N/A ASN 153.A N ASP 151.A OD2 no hydrogen 3.468 N/A ASN 153.A ND2 ASP 168.A OD1 no hydrogen 2.713 N/A VAL 156.A N ARG 148.A O no hydrogen 2.932 N/A THR 157.A N ALA 165.A O no hydrogen 2.976 N/A THR 157.A OG1 HIS 140.A NE2 no hydrogen 2.992 N/A THR 157.A OG1 ALA 165.A O no hydrogen 3.446 N/A SER 158.A N CYS 146.A O no hydrogen 2.807 N/A SER 158.A OG SER 145.A OG no hydrogen 3.117 N/A SER 159.A OG GLY 142.A O no hydrogen 3.017 N/A SER 159.A OG TYR 143.A O no hydrogen 3.325 N/A GLY 160.A N TYR 143.A O no hydrogen 2.619 N/A ASP 161.A N SER 159.A OG no hydrogen 3.256 N/A THR 162.A N SER 159.A O no hydrogen 3.280 N/A THR 162.A OG1 ASP 161.A O no hydrogen 2.390 N/A THR 163.A N ASP 161.A OD1 no hydrogen 3.197 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 3.022 N/A CYS 164.A N PHE 178.A O no hydrogen 3.083 N/A ALA 165.A N THR 157.A O no hydrogen 2.936 N/A LEU 166.A N THR 176.A O no hydrogen 2.834 N/A TRP 167.A N ILE 155.A O no hydrogen 2.911 N/A TRP 167.A NE1 THR 157.A OG1 no hydrogen 2.724 N/A ASP 168.A N GLN 173.A O no hydrogen 2.823 N/A ILE 169.A N ASN 153.A O no hydrogen 2.737 N/A THR 171.A N ASP 168.A OD1 no hydrogen 3.400 N/A GLY 172.A N ASP 168.A O no hydrogen 2.796 N/A GLN 173.A N ASP 168.A O no hydrogen 3.267 N/A THR 176.A N LEU 166.A O no hydrogen 3.191 N/A THR 177.A OG1 GLN 174.A OE1 no hydrogen 2.480 N/A PHE 178.A N CYS 164.A O no hydrogen 2.567 N/A HIS 181.A NE2 SER 199.A OG no hydrogen 2.555 N/A THR 182.A N ASP 203.A OD2 no hydrogen 3.121 N/A THR 182.A OG1 ASP 203.A OD2 no hydrogen 2.812 N/A VAL 185.A N SER 159.A O no hydrogen 3.035 N/A MET 186.A N GLY 200.A O no hydrogen 2.847 N/A SER 187.A N GLY 200.A O no hydrogen 3.404 N/A SER 187.A OG ASN 228.A O no hydrogen 3.455 N/A SER 189.A N VAL 198.A O no hydrogen 2.968 N/A SER 189.A OG LEU 190.A O no hydrogen 3.493 N/A ALA 191.A N LEU 196.A O no hydrogen 2.870 N/A THR 194.A N ALA 191.A O no hydrogen 2.678 N/A THR 194.A OG1 ASP 193.A O no hydrogen 2.578 N/A ARG 195.A N ASP 193.A OD1 no hydrogen 3.075 N/A PHE 197.A N TRP 209.A O no hydrogen 3.227 N/A VAL 198.A N SER 189.A O no hydrogen 2.969 N/A SER 199.A N LYS 207.A O no hydrogen 3.029 N/A SER 199.A OG HIS 181.A NE2 no hydrogen 2.555 N/A GLY 200.A N SER 187.A O no hydrogen 3.041 N/A ALA 201.A N SER 205.A O no hydrogen 3.267 N/A CYS 202.A N ASP 184.A O no hydrogen 2.823 N/A CYS 202.A SG ASP 184.A OD1 no hydrogen 3.217 N/A SER 205.A N ASP 203.A OD1 no hydrogen 3.216 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 3.304 N/A ALA 206.A N PHE 220.A O no hydrogen 2.842 N/A LYS 207.A N SER 199.A O no hydrogen 3.043 N/A LYS 207.A NZ THR 219.A OG1 no hydrogen 3.086 N/A LEU 208.A N GLN 218.A O no hydrogen 2.898 N/A TRP 209.A N PHE 197.A O no hydrogen 2.919 N/A TRP 209.A NE1 SER 199.A OG no hydrogen 2.843 N/A ASP 210.A N MET 215.A O no hydrogen 3.066 N/A VAL 211.A N ARG 195.A O no hydrogen 2.940 N/A ARG 212.A N ASP 210.A OD1 no hydrogen 3.214 N/A GLU 213.A N ASP 210.A OD1 no hydrogen 2.910 N/A GLY 214.A N ASP 210.A O no hydrogen 2.849 N/A CYS 216.A SG LEU 208.A O no hydrogen 3.783 N/A CYS 216.A SG GLN 218.A O no hydrogen 3.383 N/A CYS 216.A SG THR 219.A OG1 no hydrogen 3.702 N/A ARG 217.A N LEU 208.A O no hydrogen 2.665 N/A GLN 218.A NE2 LEU 253.A O no hydrogen 2.790 N/A GLN 218.A NE2 ASP 256.A OD1 no hydrogen 2.974 N/A PHE 220.A N ALA 206.A O no hydrogen 2.677 N/A HIS 223.A ND1 ASP 245.A OD2 no hydrogen 3.215 N/A HIS 223.A NE2 THR 241.A OG1 no hydrogen 2.504 N/A GLU 224.A N ASP 245.A OD2 no hydrogen 2.952 N/A ASP 226.A N SER 225.A OG no hydrogen 2.683 N/A ILE 227.A N ALA 201.A O no hydrogen 3.102 N/A ASN 228.A N GLY 242.A O no hydrogen 2.671 N/A ASN 228.A ND2 ASP 244.A OD1 no hydrogen 3.321 N/A ASN 228.A ND2 ILE 271.A O no hydrogen 2.552 N/A ALA 229.A N GLY 242.A O no hydrogen 3.104 N/A CYS 231.A N ALA 240.A O no hydrogen 2.969 N/A CYS 231.A SG PHE 232.A O no hydrogen 3.605 N/A PHE 232.A N SER 189.A OG no hydrogen 3.182 N/A PHE 233.A N ALA 238.A O no hydrogen 2.698 N/A GLY 236.A N PHE 233.A O no hydrogen 2.742 N/A ASN 237.A N ASN 235.A OD1 no hydrogen 2.916 N/A PHE 239.A N PHE 251.A O no hydrogen 2.914 N/A ALA 240.A N CYS 231.A O no hydrogen 2.768 N/A THR 241.A N ARG 249.A O no hydrogen 2.945 N/A THR 241.A OG1 HIS 223.A NE2 no hydrogen 2.504 N/A GLY 242.A N ALA 229.A O no hydrogen 2.762 N/A SER 243.A N THR 247.A O no hydrogen 3.352 N/A SER 243.A OG SER 225.A O no hydrogen 2.881 N/A SER 243.A OG ASP 226.A O no hydrogen 2.799 N/A ASP 244.A N ASP 226.A O no hydrogen 2.881 N/A ASP 245.A N SER 243.A OG no hydrogen 3.362 N/A THR 247.A N ASP 245.A OD1 no hydrogen 3.096 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 3.102 N/A THR 247.A OG1 ASP 245.A OD2 no hydrogen 3.523 N/A CYS 248.A N TYR 262.A O no hydrogen 3.225 N/A ARG 249.A N THR 241.A O no hydrogen 3.103 N/A ARG 249.A NE HIS 223.A ND1 no hydrogen 3.283 N/A ARG 249.A NE THR 247.A OG1 no hydrogen 3.310 N/A ARG 249.A NH1 GLU 258.A OE2 no hydrogen 3.108 N/A ARG 249.A NH2 ASP 245.A OD2 no hydrogen 3.516 N/A ARG 249.A NH2 THR 247.A OG1 no hydrogen 3.413 N/A LEU 250.A N MET 260.A O no hydrogen 2.951 N/A PHE 251.A N PHE 239.A O no hydrogen 2.878 N/A ASP 252.A N GLN 257.A O no hydrogen 3.094 N/A LEU 253.A N ASN 237.A O no hydrogen 3.120 N/A ARG 254.A N ASP 252.A OD1 no hydrogen 3.012 N/A ALA 255.A N ASP 252.A OD1 no hydrogen 3.250 N/A ASP 256.A N ASP 252.A O no hydrogen 2.905 N/A GLN 257.A NE2 ARG 20.A O no hydrogen 2.738 N/A GLN 257.A NE2 ALA 255.A O no hydrogen 3.510 N/A LEU 259.A N LEU 250.A O no hydrogen 2.683 N/A THR 261.A OG1 GLU 258.A OE1 no hydrogen 3.214 N/A TYR 262.A N CYS 248.A O no hydrogen 2.772 N/A TYR 262.A OH ALA 297.A O no hydrogen 2.815 N/A ILE 267.A N HIS 264.A O no hydrogen 3.165 N/A ILE 271.A N SER 243.A O no hydrogen 3.126 N/A THR 272.A N GLY 286.A O no hydrogen 3.038 N/A THR 272.A OG1 SER 273.A OG no hydrogen 3.242 N/A THR 272.A OG1 VAL 313.A O no hydrogen 2.402 N/A SER 273.A OG THR 272.A OG1 no hydrogen 3.242 N/A SER 275.A N LEU 284.A O no hydrogen 2.913 N/A SER 277.A N LEU 282.A O no hydrogen 3.245 N/A SER 277.A OG LEU 282.A O no hydrogen 3.425 N/A LYS 278.A NZ ASP 320.A O no hydrogen 3.023 N/A GLY 280.A N SER 277.A O no hydrogen 2.787 N/A ARG 281.A N SER 279.A OG no hydrogen 3.343 N/A ARG 281.A NE ASP 296.A OD1 no hydrogen 2.863 N/A ARG 281.A NH2 ASP 296.A OD1 no hydrogen 3.289 N/A ARG 281.A NH2 ASP 296.A OD2 no hydrogen 2.772 N/A LEU 282.A N SER 277.A OG no hydrogen 3.201 N/A LEU 283.A N TRP 295.A O no hydrogen 2.728 N/A LEU 284.A N SER 275.A O no hydrogen 2.772 N/A ALA 285.A N ASN 293.A O no hydrogen 3.018 N/A GLY 286.A N SER 273.A O no hydrogen 2.722 N/A TYR 287.A N ASN 291.A O no hydrogen 2.977 N/A ASP 288.A N GLY 270.A O no hydrogen 3.048 N/A PHE 290.A N TYR 287.A O no hydrogen 3.419 N/A ASN 291.A N ASP 289.A OD1 no hydrogen 2.743 N/A CYS 292.A N LEU 306.A O no hydrogen 2.869 N/A ASN 293.A N ALA 285.A O no hydrogen 2.972 N/A VAL 294.A N GLY 304.A O no hydrogen 2.925 N/A TRP 295.A N LEU 283.A O no hydrogen 2.690 N/A TRP 295.A NE1 TYR 287.A OH no hydrogen 2.864 N/A ASP 296.A N ASP 301.A O no hydrogen 2.816 N/A ALA 297.A N ARG 281.A O no hydrogen 2.920 N/A LEU 298.A N ASP 296.A OD1 no hydrogen 3.080 N/A LYS 299.A N ASP 296.A O no hydrogen 2.991 N/A LYS 299.A N ASP 296.A OD1 no hydrogen 3.169 N/A LYS 299.A NZ ASN 33.A O no hydrogen 3.570 N/A LYS 299.A NZ ILE 35.A O no hydrogen 2.940 N/A ALA 300.A N ASP 296.A O no hydrogen 2.545 N/A ARG 302.A NH2 ASN 266.A OD1 no hydrogen 3.183 N/A ALA 303.A N VAL 294.A O no hydrogen 2.732 N/A LEU 306.A N CYS 292.A O no hydrogen 2.598 N/A HIS 309.A ND1 ASP 331.A OD2 no hydrogen 3.264 N/A HIS 309.A NE2 THR 327.A OG1 no hydrogen 2.738 N/A ASP 310.A N ASP 331.A OD2 no hydrogen 2.791 N/A ARG 312.A N ASN 311.A OD1 no hydrogen 2.791 N/A SER 314.A N GLY 328.A O no hydrogen 3.040 N/A SER 314.A OG ILE 56.A O no hydrogen 2.572 N/A CYS 315.A SG SER 314.A OG no hydrogen 3.339 N/A GLY 317.A N ALA 326.A O no hydrogen 2.848 N/A THR 319.A N ALA 324.A O no hydrogen 3.146 N/A THR 319.A OG1 ASP 321.A OD1 no hydrogen 3.065 N/A THR 319.A OG1 ALA 324.A O no hydrogen 3.354 N/A ASP 321.A N SER 65.A OG no hydrogen 3.393 N/A GLY 322.A N THR 319.A O no hydrogen 3.100 N/A MET 323.A N ASP 321.A OD1 no hydrogen 3.461 N/A ALA 324.A N THR 319.A OG1 no hydrogen 3.120 N/A VAL 325.A N TRP 337.A O no hydrogen 3.120 N/A ALA 326.A N GLY 317.A O no hydrogen 2.788 N/A THR 327.A N LYS 335.A O no hydrogen 2.889 N/A THR 327.A OG1 HIS 309.A NE2 no hydrogen 2.738 N/A THR 327.A OG1 LYS 335.A O no hydrogen 3.336 N/A GLY 328.A N CYS 315.A O no hydrogen 3.095 N/A SER 329.A OG ARG 312.A O no hydrogen 3.131 N/A TRP 330.A N ARG 312.A O no hydrogen 2.799 N/A ASP 331.A N SER 329.A OG no hydrogen 3.089 N/A SER 332.A N SER 329.A O no hydrogen 3.055 N/A SER 332.A OG HIS 52.A O no hydrogen 3.562 N/A SER 332.A OG ASP 331.A O no hydrogen 2.423 N/A PHE 333.A N ASP 331.A OD1 no hydrogen 2.998 N/A LEU 334.A N LEU 49.A O no hydrogen 3.358 N/A LYS 335.A N THR 327.A O no hydrogen 3.038 N/A LYS 335.A NZ GLY 308.A O no hydrogen 2.761 N/A ILE 336.A N ARG 47.A O no hydrogen 2.795 N/A TRP 337.A N VAL 325.A O no hydrogen 2.749 N/A TRP 337.A NE1 THR 327.A OG1 no hydrogen 2.728 N/A ASN 338.A N ARG 44.A O no hydrogen 3.200 N/A