Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ke1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 2.912 N/A VAL 5.A N VAL 2.A O no hydrogen 3.252 N/A ASP 6.A N SER 165.A OG no hydrogen 2.703 N/A ASN 7.A N MET 4.A O no hydrogen 3.247 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 2.932 N/A ASN 7.A ND2 MET 166.A O no hydrogen 2.983 N/A LEU 8.A N GLY 164.A O no hydrogen 2.959 N/A ARG 9.A N TYR 17.A O no hydrogen 3.057 N/A ARG 9.A NH1 ASP 6.A OD1 no hydrogen 3.077 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.822 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 2.714 N/A LYS 11.A NZ GLY 114.A O no hydrogen 3.303 N/A SER 12.A N ALA 160.A O no hydrogen 2.781 N/A GLN 14.A N LYS 11.A O no hydrogen 2.896 N/A TYR 16.A OH GLU 309.A OE2 no hydrogen 2.678 N/A TYR 17.A N ARG 9.A O no hydrogen 2.709 N/A VAL 18.A N ILE 31.A O no hydrogen 2.829 N/A MET 20.A N LEU 29.A O no hydrogen 2.811 N/A THR 21.A N SER 88.A O no hydrogen 2.887 N/A THR 21.A OG1 SER 88.A OG no hydrogen 2.690 N/A VAL 22.A N GLN 27.A O no hydrogen 2.934 N/A GLY 23.A N LEU 86.A O no hydrogen 2.897 N/A SER 24.A N SER 59.A OG no hydrogen 3.221 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.730 N/A GLN 27.A N VAL 22.A O no hydrogen 2.774 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.903 N/A LEU 29.A N MET 20.A O no hydrogen 2.847 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.897 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 2.992 N/A ILE 31.A N VAL 18.A O no hydrogen 2.881 N/A LEU 32.A N GLY 119.A O no hydrogen 2.859 N/A VAL 33.A N TYR 16.A O no hydrogen 2.839 N/A ASP 34.A N LEU 121.A O no hydrogen 3.127 N/A THR 35.A N SER 221.A OG no hydrogen 2.907 N/A THR 35.A OG1 VAL 219.A O no hydrogen 2.964 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.972 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.547 N/A SER 38.A OG TYR 125.A O no hydrogen 2.729 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.887 N/A ALA 41.A N ILE 120.A O no hydrogen 2.997 N/A VAL 42.A N ALA 102.A O no hydrogen 2.948 N/A GLY 43.A N GLU 118.A O no hydrogen 2.753 N/A ALA 44.A N ILE 104.A O no hydrogen 3.030 N/A HIS 47.A N ALA 45.A O no hydrogen 2.853 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.156 N/A LEU 50.A N HIS 47.A O no hydrogen 3.017 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 3.082 N/A TYR 54.A N GLY 43.A O no hydrogen 2.823 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.699 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.929 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.727 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 3.125 N/A LEU 58.A N GLN 55.A O no hydrogen 3.066 N/A SER 59.A N ARG 56.A O no hydrogen 3.123 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.262 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.635 N/A SER 60.A N SER 24.A O no hydrogen 3.073 N/A SER 60.A OG SER 24.A O no hydrogen 3.537 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.730 N/A THR 61.A OG1 SER 59.A OG no hydrogen 3.390 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.644 N/A TYR 62.A N SER 59.A O no hydrogen 3.465 N/A ARG 63.A N THR 84.A O no hydrogen 2.952 N/A LEU 65.A N LEU 82.A O no hydrogen 3.046 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 3.010 N/A VAL 69.A N GLY 80.A O no hydrogen 2.980 N/A VAL 71.A N TRP 78.A O no hydrogen 3.052 N/A TYR 73.A N GLY 76.A O no hydrogen 2.823 N/A LYS 77.A N ASP 108.A O no hydrogen 3.015 N/A TRP 78.A N VAL 71.A O no hydrogen 3.157 N/A TRP 78.A NE1 TYR 73.A OH no hydrogen 2.902 N/A GLU 79.A N GLU 106.A O no hydrogen 2.854 N/A GLY 80.A N VAL 69.A O no hydrogen 2.751 N/A GLU 81.A N ALA 103.A O no hydrogen 2.864 N/A LEU 82.A N LYS 67.A O no hydrogen 2.879 N/A GLY 83.A N ILE 101.A O no hydrogen 3.012 N/A THR 84.A N ARG 63.A O no hydrogen 2.813 N/A ASP 85.A N ALA 99.A O no hydrogen 3.118 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.739 N/A VAL 87.A N VAL 97.A O no hydrogen 2.706 N/A SER 88.A N THR 21.A O no hydrogen 3.066 N/A SER 88.A OG THR 21.A OG1 no hydrogen 2.690 N/A VAL 95.A N PRO 93.A O no hydrogen 2.821 N/A VAL 97.A N VAL 87.A O no hydrogen 2.908 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 2.913 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.050 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.759 N/A ARG 98.A NH2 THR 61.A O no hydrogen 3.013 N/A ALA 99.A N ASP 85.A O no hydrogen 3.013 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.946 N/A ILE 101.A N GLY 83.A O no hydrogen 2.794 N/A ALA 102.A N PHE 40.A O no hydrogen 2.870 N/A ALA 103.A N GLU 81.A O no hydrogen 2.796 N/A ILE 104.A N VAL 42.A O no hydrogen 2.742 N/A THR 105.A N GLU 79.A O no hydrogen 3.004 N/A GLU 106.A N GLU 79.A O no hydrogen 3.278 N/A ASP 108.A N LYS 77.A O no hydrogen 2.959 N/A SER 115.A N ILE 112.A O no hydrogen 3.116 N/A SER 115.A OG ILE 112.A O no hydrogen 3.063 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.939 N/A GLU 118.A N ASN 30.A O no hydrogen 2.887 N/A ILE 120.A N ALA 41.A O no hydrogen 2.736 N/A LEU 121.A N LEU 32.A O no hydrogen 2.768 N/A GLY 122.A N ASN 39.A O no hydrogen 2.940 N/A LEU 123.A N ASP 34.A O no hydrogen 2.883 N/A ALA 124.A N SER 37.A O no hydrogen 2.889 N/A TYR 125.A N TRP 189.A O no hydrogen 2.954 N/A ILE 128.A N TYR 125.A O no hydrogen 3.278 N/A ALA 129.A N ALA 126.A O no hydrogen 2.932 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.833 N/A ARG 130.A NH1 ILE 128.A O no hydrogen 2.557 N/A SER 134.A N ASP 132.A OD1 no hydrogen 2.787 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.467 N/A LEU 135.A N ASP 132.A O no hydrogen 3.165 N/A SER 141.A N PRO 137.A O no hydrogen 3.110 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.713 N/A SER 141.A OG PRO 137.A O no hydrogen 3.241 N/A LEU 142.A N PHE 138.A O no hydrogen 2.793 N/A VAL 143.A N PHE 139.A O no hydrogen 3.011 N/A LYS 144.A N ASP 140.A O no hydrogen 2.984 N/A LYS 144.A NZ GLU 136.A OE2 no hydrogen 2.299 N/A GLN 145.A N SER 141.A O no hydrogen 3.007 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.853 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.640 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.083 N/A LEU 151.A N PRO 149.A O no hydrogen 2.881 N/A PHE 152.A N PHE 315.A O no hydrogen 3.265 N/A SER 153.A N ILE 167.A O no hydrogen 2.932 N/A SER 153.A OG GLY 170.A O no hydrogen 3.022 N/A SER 153.A OG TYR 312.A OH no hydrogen 2.598 N/A LEU 154.A N VAL 313.A O no hydrogen 2.807 N/A GLN 155.A N SER 165.A O no hydrogen 2.861 N/A GLN 155.A NE2 LEU 175.A O no hydrogen 2.975 N/A CYS 157.A N GLY 163.A O no hydrogen 2.869 N/A CYS 157.A SG GLN 155.A O no hydrogen 4.049 N/A CYS 157.A SG GLN 155.A OE1 no hydrogen 3.450 N/A GLY 158.A N TYR 16.A OH no hydrogen 2.892 N/A SER 161.A OG GLY 10.A O no hydrogen 3.399 N/A VAL 162.A N GLY 10.A O no hydrogen 2.769 N/A GLY 163.A N GLY 158.A O no hydrogen 3.205 N/A GLY 164.A N LEU 8.A O no hydrogen 3.182 N/A SER 165.A N GLN 155.A O no hydrogen 2.798 N/A MET 166.A N ASN 7.A OD1 no hydrogen 2.797 N/A ILE 167.A N SER 153.A O no hydrogen 2.894 N/A GLY 169.A N LEU 151.A O no hydrogen 2.867 N/A ASP 172.A N TYR 312.A OH no hydrogen 2.915 N/A HIS 173.A ND1 TYR 176.A OH no hydrogen 2.766 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.992 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 2.667 N/A LEU 175.A N ASP 172.A O no hydrogen 3.087 N/A TYR 176.A N HIS 173.A O no hydrogen 3.479 N/A TYR 176.A OH HIS 173.A ND1 no hydrogen 2.766 N/A THR 177.A N VAL 326.A O no hydrogen 3.087 N/A SER 179.A OG LEU 180.A O no hydrogen 2.745 N/A TRP 181.A N PHE 324.A O no hydrogen 2.911 N/A THR 183.A N ILE 322.A O no hydrogen 2.762 N/A THR 183.A OG1 MET 268.A O no hydrogen 2.692 N/A ILE 185.A N LYS 320.A O no hydrogen 2.917 N/A ARG 186.A N GLU 192.A O no hydrogen 2.858 N/A ARG 186.A NH1 GLU 192.A OE2 no hydrogen 3.004 N/A ARG 186.A NH1 TYR 354.A O no hydrogen 2.789 N/A ARG 186.A NH2 TYR 354.A O no hydrogen 2.872 N/A TRP 189.A N ARG 187.A O no hydrogen 3.120 N/A TRP 189.A N TYR 190.A O no hydrogen 3.081 N/A TRP 189.A NE1 GLU 192.A OE1 no hydrogen 2.888 N/A TYR 191.A OH LEU 123.A O no hydrogen 2.565 N/A VAL 193.A N SER 217.A O no hydrogen 2.898 N/A ILE 195.A N ASN 213.A OD1 no hydrogen 2.774 N/A VAL 196.A N TYR 266.A O no hydrogen 2.791 N/A ARG 197.A NE GLU 199.A OE2 no hydrogen 2.945 N/A ARG 197.A NH2 GLU 199.A OE2 no hydrogen 3.516 N/A GLU 199.A N SER 264.A O no hydrogen 2.939 N/A ILE 200.A N GLN 203.A O no hydrogen 3.042 N/A ASN 201.A N VAL 262.A O no hydrogen 2.953 N/A GLN 203.A N ILE 200.A O no hydrogen 3.126 N/A LEU 205.A N VAL 198.A O no hydrogen 2.921 N/A LYS 206.A N ASP 204.A OD1 no hydrogen 2.817 N/A LYS 210.A N ASP 208.A OD1 no hydrogen 2.949 N/A LYS 210.A NZ ASP 351.A O no hydrogen 3.107 N/A GLU 211.A N ASP 208.A O no hydrogen 3.032 N/A TYR 212.A N CYS 209.A O no hydrogen 2.980 N/A ASN 213.A N LYS 210.A O no hydrogen 3.198 N/A ASN 213.A ND2 ILE 195.A O no hydrogen 2.726 N/A ASN 213.A ND2 CYS 352.A O no hydrogen 2.954 N/A TYR 214.A N GLU 211.A O no hydrogen 3.468 N/A LYS 216.A NZ ASP 215.A OD2 no hydrogen 3.228 N/A LYS 216.A NZ THR 299.A O no hydrogen 2.392 N/A SER 217.A OG ASN 213.A OD1 no hydrogen 2.743 N/A ILE 218.A N THR 301.A O no hydrogen 2.964 N/A VAL 219.A N TYR 191.A O no hydrogen 3.088 N/A ASP 220.A N MET 303.A O no hydrogen 3.077 N/A SER 221.A N THR 35.A OG1 no hydrogen 2.890 N/A SER 221.A OG VAL 33.A O no hydrogen 2.723 N/A GLY 222.A N ASP 220.A OD1 no hydrogen 2.789 N/A THR 223.A N ASP 220.A O no hydrogen 3.154 N/A THR 223.A OG1 ASP 220.A OD2 no hydrogen 2.848 N/A ASN 225.A ND2 SER 295.A OG no hydrogen 2.604 N/A LEU 226.A N ALA 293.A O no hydrogen 3.061 N/A ARG 227.A N VAL 302.A O no hydrogen 2.875 N/A ARG 227.A NH2 GLN 296.A O no hydrogen 3.528 N/A LEU 228.A N SER 295.A O no hydrogen 2.771 N/A PHE 233.A N PRO 229.A O no hydrogen 2.499 N/A GLU 234.A N LYS 230.A O no hydrogen 2.563 N/A ALA 235.A N LYS 231.A O no hydrogen 3.227 N/A ALA 236.A N VAL 232.A O no hydrogen 2.735 N/A VAL 237.A N PHE 233.A O no hydrogen 2.652 N/A LYS 238.A N GLU 234.A O no hydrogen 2.971 N/A SER 239.A N ALA 235.A O no hydrogen 3.162 N/A ILE 240.A N ALA 236.A O no hydrogen 2.966 N/A LYS 241.A N VAL 237.A O no hydrogen 2.685 N/A ALA 242.A N LYS 238.A O no hydrogen 3.063 N/A ALA 243.A N SER 239.A O no hydrogen 2.814 N/A SER 244.A N ILE 240.A O no hydrogen 3.128 N/A SER 244.A OG ILE 240.A O no hydrogen 2.955 N/A SER 245.A OG ALA 242.A O no hydrogen 3.011 N/A TRP 254.A N ASP 251.A O no hydrogen 3.049 N/A PHE 260.A N TRP 257.A O no hydrogen 3.295 N/A VAL 262.A N ASN 201.A OD1 no hydrogen 3.094 N/A ILE 263.A N ILE 280.A O no hydrogen 3.211 N/A SER 264.A N GLU 199.A O no hydrogen 2.826 N/A SER 264.A OG THR 279.A OG1 no hydrogen 2.421 N/A LEU 265.A N ILE 278.A O no hydrogen 2.877 N/A TYR 266.A N ARG 197.A O no hydrogen 2.812 N/A TYR 266.A OH GLU 199.A OE1 no hydrogen 3.071 N/A TYR 266.A OH GLU 199.A OE2 no hydrogen 2.805 N/A LEU 267.A N PHE 276.A O no hydrogen 2.814 N/A MET 268.A N ILE 194.A O no hydrogen 3.084 N/A GLY 269.A N GLN 274.A O no hydrogen 2.798 N/A VAL 271.A N GLN 274.A OE1 no hydrogen 3.029 N/A GLN 274.A N VAL 271.A O no hydrogen 3.000 N/A GLN 274.A NE2 SER 275.A O no hydrogen 3.176 N/A SER 275.A N PHE 344.A O no hydrogen 2.946 N/A SER 275.A OG THR 346.A OG1 no hydrogen 2.703 N/A PHE 276.A N LEU 267.A O no hydrogen 3.195 N/A ARG 277.A N GLU 341.A O no hydrogen 2.879 N/A ARG 277.A NE GLU 341.A OE2 no hydrogen 2.993 N/A ARG 277.A NH1 TYR 266.A OH no hydrogen 2.974 N/A ARG 277.A NH2 GLU 341.A OE2 no hydrogen 2.980 N/A ILE 278.A N LEU 265.A O no hydrogen 2.888 N/A THR 279.A N ALA 339.A O no hydrogen 2.816 N/A THR 279.A OG1 SER 264.A OG no hydrogen 2.421 N/A ILE 280.A N ILE 263.A O no hydrogen 2.984 N/A LEU 281.A N GLN 284.A OE1 no hydrogen 2.869 N/A GLN 284.A N LEU 281.A O no hydrogen 3.005 N/A GLN 284.A NE2 VAL 331.A O no hydrogen 3.006 N/A TYR 285.A OH PRO 261.A O no hydrogen 2.395 N/A LEU 286.A N PRO 282.A O no hydrogen 2.602 N/A ARG 287.A N LYS 291.A O no hydrogen 3.279 N/A ARG 287.A NH2 SER 12.A OG no hydrogen 3.286 N/A LYS 291.A N ARG 287.A O no hydrogen 2.800 N/A ALA 293.A N TYR 285.A O no hydrogen 3.327 N/A SER 295.A N LEU 226.A O no hydrogen 3.117 N/A SER 297.A OG THR 299.A OG1 no hydrogen 3.008 N/A SER 297.A OG GLY 300.A O no hydrogen 2.851 N/A THR 299.A N SER 297.A OG no hydrogen 2.570 N/A THR 299.A OG1 SER 297.A OG no hydrogen 3.008 N/A THR 301.A N LYS 216.A O no hydrogen 2.819 N/A THR 301.A OG1 TYR 212.A O no hydrogen 2.706 N/A VAL 302.A N ARG 227.A O no hydrogen 2.797 N/A MET 303.A N ILE 218.A O no hydrogen 2.807 N/A GLY 304.A N ASN 225.A O no hydrogen 3.202 N/A ALA 305.A N THR 223.A O no hydrogen 2.786 N/A VAL 306.A N THR 224.A O no hydrogen 3.033 N/A ILE 307.A N GLY 304.A O no hydrogen 3.024 N/A MET 308.A N GLY 304.A O no hydrogen 2.985 N/A GLU 309.A N ALA 305.A O no hydrogen 2.755 N/A GLY 310.A N ILE 307.A O no hydrogen 3.112 N/A PHE 311.A N MET 308.A O no hydrogen 3.061 N/A TYR 312.A N ALA 325.A O no hydrogen 2.780 N/A VAL 313.A N LEU 154.A O no hydrogen 3.006 N/A VAL 314.A N GLY 323.A O no hydrogen 2.761 N/A PHE 315.A N PHE 152.A O no hydrogen 2.705 N/A ASP 316.A N ARG 321.A O no hydrogen 2.954 N/A ARG 317.A N PHE 315.A O no hydrogen 3.014 N/A ARG 317.A NE ASN 150.A OD1 no hydrogen 2.921 N/A ARG 317.A NH1 ASP 140.A OD1 no hydrogen 3.067 N/A ARG 317.A NH2 TYR 191.A OH no hydrogen 3.018 N/A ALA 318.A N ASN 150.A O no hydrogen 3.000 N/A ARG 319.A N ASP 316.A O no hydrogen 3.199 N/A ARG 319.A N ASP 316.A OD1 no hydrogen 3.277 N/A LYS 320.A N ARG 317.A O no hydrogen 3.150 N/A ARG 321.A N ASP 316.A O no hydrogen 3.131 N/A ARG 321.A NE ASP 316.A OD2 no hydrogen 2.751 N/A ARG 321.A NH1 GLU 270.A OE2 no hydrogen 2.890 N/A ARG 321.A NH2 ASP 316.A OD2 no hydrogen 3.352 N/A ILE 322.A N THR 183.A O no hydrogen 2.803 N/A GLY 323.A N VAL 314.A O no hydrogen 2.798 N/A PHE 324.A N TRP 181.A O no hydrogen 2.841 N/A ALA 325.A N TYR 312.A O no hydrogen 3.014 N/A SER 327.A N GLY 310.A O no hydrogen 3.191 N/A ALA 328.A N LEU 175.A O no hydrogen 2.899 N/A CYS 329.A N SER 327.A OG no hydrogen 3.108 N/A CYS 329.A SG SER 327.A OG no hydrogen 3.366 N/A HIS 330.A N SER 327.A O no hydrogen 3.454 N/A HIS 330.A ND1 SER 327.A O no hydrogen 2.763 N/A HIS 332.A ND1 HIS 330.A O no hydrogen 3.112 N/A PHE 335.A N ASP 333.A OD1 no hydrogen 2.874 N/A ARG 336.A N ASP 333.A OD1 no hydrogen 2.704 N/A ARG 336.A NH1 PHE 260.A O no hydrogen 2.906 N/A ARG 336.A NH2 PHE 260.A O no hydrogen 2.615 N/A ALA 338.A N HIS 330.A NE2 no hydrogen 3.165 N/A ALA 339.A N THR 279.A O no hydrogen 2.975 N/A GLU 341.A N ARG 277.A O no hydrogen 2.928 N/A PHE 344.A N SER 275.A O no hydrogen 2.896 N/A THR 346.A N ASN 273.A O no hydrogen 2.925 N/A THR 346.A OG1 SER 275.A OG no hydrogen 2.703 N/A ASP 351.A N ASP 348.A O no hydrogen 3.105 N/A CYS 352.A N MET 349.A O no hydrogen 3.085 N/A CYS 352.A SG ASP 348.A O no hydrogen 3.912 N/A