Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3um0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N SER 303.A OG no hydrogen 2.945 N/A THR 1.A OG1 SER 303.A OG no hydrogen 3.175 N/A HIS 5.A N TYR 240.A OH no hydrogen 3.039 N/A ARG 6.A NH1 HIS 5.A O no hydrogen 2.634 N/A ARG 6.A NH1 GLU 189.A OE2 no hydrogen 3.178 N/A ARG 6.A NH2 THR 122.A O no hydrogen 3.478 N/A ARG 6.A NH2 GLU 189.A OE1 no hydrogen 3.004 N/A ASN 7.A ND2 TYR 182.A OH no hydrogen 2.825 N/A LYS 10.A N ASN 116.A OD1 no hydrogen 2.875 N/A LYS 10.A NZ THR 92.A O no hydrogen 2.763 N/A ALA 11.A N THR 92.A OG1 no hydrogen 2.852 N/A THR 12.A OG1 ALA 13.A O no hydrogen 3.318 N/A THR 12.A OG1 LYS 90.A O no hydrogen 3.032 N/A ALA 13.A N LYS 90.A O no hydrogen 3.316 N/A ASN 18.A N SER 16.A OG no hydrogen 2.977 N/A TYR 19.A OH GLN 87.A OE1 no hydrogen 3.376 N/A THR 24.A N ALA 371.A O no hydrogen 2.912 N/A SER 29.A N GLY 25.A O no hydrogen 3.085 N/A LYS 30.A N PRO 26.A O no hydrogen 2.696 N/A LYS 30.A NZ ASP 34.A OD2 no hydrogen 2.791 N/A ILE 31.A N SER 27.A O no hydrogen 2.968 N/A CYS 32.A N ALA 28.A O no hydrogen 3.406 N/A CYS 32.A SG ALA 28.A O no hydrogen 3.723 N/A ASN 33.A N LYS 30.A O no hydrogen 2.690 N/A ASP 34.A N LYS 30.A O no hydrogen 3.035 N/A LEU 35.A N ILE 31.A O no hydrogen 2.945 N/A ARG 36.A N CYS 32.A O no hydrogen 3.179 N/A ARG 36.A NH1 ASN 33.A OD1 no hydrogen 2.590 N/A SER 37.A N ASN 33.A O no hydrogen 3.114 N/A SER 37.A OG ASN 33.A O no hydrogen 3.171 N/A SER 38.A N ASP 34.A O no hydrogen 2.938 N/A ARG 39.A N LEU 35.A O no hydrogen 3.232 N/A ARG 39.A NE GLU 109.A OE2 no hydrogen 3.098 N/A ARG 39.A NH1 ALA 13.A O no hydrogen 3.150 N/A ARG 39.A NH2 THR 12.A OG1 no hydrogen 2.980 N/A ARG 39.A NH2 GLU 109.A OE1 no hydrogen 3.317 N/A ALA 40.A N ARG 36.A O no hydrogen 3.387 N/A ARG 41.A N SER 37.A O no hydrogen 2.890 N/A ARG 41.A NH1 GLU 44.A OE2 no hydrogen 3.398 N/A LEU 42.A N SER 38.A O no hydrogen 3.081 N/A LEU 43.A N ARG 39.A O no hydrogen 3.003 N/A GLU 44.A N ALA 40.A O no hydrogen 2.990 N/A ASP 48.A N LEU 45.A O no hydrogen 2.859 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.656 N/A CYS 51.A SG ASN 52.A O no hydrogen 3.419 N/A GLU 54.A N ASN 52.A OD1 no hydrogen 3.291 N/A MET 56.A N ASN 52.A O no hydrogen 3.048 N/A LYS 57.A N PRO 53.A O no hydrogen 2.620 N/A ASN 58.A N GLU 54.A O no hydrogen 3.426 N/A ALA 59.A N MET 55.A O no hydrogen 2.995 N/A ALA 60.A N MET 56.A O no hydrogen 2.985 N/A ASP 61.A N LYS 57.A O no hydrogen 2.811 N/A SER 62.A N ASN 58.A O no hydrogen 2.924 N/A TYR 63.A N ALA 59.A O no hydrogen 3.356 N/A TYR 63.A OH GLU 109.A OE2 no hydrogen 2.777 N/A PHE 64.A N ALA 60.A O no hydrogen 2.956 N/A SER 65.A N ASP 61.A O no hydrogen 2.989 N/A SER 65.A OG ASP 61.A O no hydrogen 3.063 N/A SER 65.A OG SER 62.A O no hydrogen 2.852 N/A LEU 66.A N SER 62.A O no hydrogen 3.131 N/A LEU 67.A N TYR 63.A O no hydrogen 2.591 N/A GLN 68.A N PHE 64.A O no hydrogen 2.958 N/A PHE 70.A N LEU 67.A O no hydrogen 2.888 N/A ILE 71.A N GLN 68.A O no hydrogen 2.687 N/A ASN 72.A N GLN 68.A O no hydrogen 3.084 N/A SER 73.A OG GLU 76.A O no hydrogen 3.215 N/A SER 73.A OG GLN 79.A O no hydrogen 2.608 N/A GLN 79.A N GLU 76.A O no hydrogen 3.275 N/A SER 81.A N ILE 71.A O no hydrogen 2.930 N/A SER 81.A OG GLY 69.A O no hydrogen 2.952 N/A LYS 82.A NZ LEU 369.A O no hydrogen 2.777 N/A LYS 82.A NZ PHE 372.A O no hydrogen 2.579 N/A LEU 83.A N SER 81.A OG no hydrogen 2.918 N/A ARG 84.A N SER 81.A O no hydrogen 3.448 N/A ARG 84.A NE ASP 105.A OD1 no hydrogen 2.660 N/A ARG 84.A NH1 GLU 80.A OE1 no hydrogen 2.854 N/A ARG 84.A NH2 ASP 105.A OD1 no hydrogen 3.505 N/A ARG 84.A NH2 ASP 105.A OD2 no hydrogen 3.073 N/A ARG 84.A NH2 LYS 163.A O no hydrogen 2.750 N/A ILE 86.A N LEU 83.A O no hydrogen 3.016 N/A GLN 87.A NE2 ASN 88.A O no hydrogen 3.537 N/A PHE 89.A N GLN 103.A O no hydrogen 2.990 N/A TRP 91.A N SER 101.A O no hydrogen 2.880 N/A TRP 91.A NE1 GLU 109.A OE1 no hydrogen 2.788 N/A THR 92.A N ALA 11.A O no hydrogen 2.914 N/A THR 92.A OG1 ALA 11.A O no hydrogen 3.323 N/A THR 94.A N ASP 173.A OD2 no hydrogen 2.970 N/A THR 94.A OG1 ASP 173.A OD1 no hydrogen 2.704 N/A THR 94.A OG1 ASP 173.A OD2 no hydrogen 3.378 N/A THR 94.A OG1 TYR 182.A OH no hydrogen 3.328 N/A GLN 96.A N ASP 93.A O no hydrogen 3.246 N/A GLN 96.A NE2 GLY 171.A O no hydrogen 2.549 N/A SER 101.A N TRP 91.A O no hydrogen 2.729 N/A GLN 103.A N PHE 89.A O no hydrogen 3.210 N/A GLN 104.A NE2 TYR 85.A O no hydrogen 3.085 N/A VAL 107.A N ASP 105.A OD1 no hydrogen 2.973 N/A GLU 109.A N ASP 105.A O no hydrogen 3.461 N/A LEU 110.A N ALA 106.A O no hydrogen 3.012 N/A ILE 111.A N VAL 107.A O no hydrogen 2.759 N/A SER 112.A N PHE 108.A O no hydrogen 2.992 N/A SER 112.A OG PHE 108.A O no hydrogen 2.979 N/A MET 113.A N GLU 109.A O no hydrogen 2.873 N/A GLY 114.A N LEU 110.A O no hydrogen 2.854 N/A PHE 115.A N ILE 111.A O no hydrogen 2.986 N/A ASN 116.A N SER 112.A O no hydrogen 3.088 N/A ASN 116.A ND2 LYS 10.A O no hydrogen 3.111 N/A VAL 117.A N MET 113.A O no hydrogen 3.114 N/A VAL 117.A N GLY 114.A O no hydrogen 2.821 N/A ALA 118.A N GLY 114.A O no hydrogen 2.901 N/A LEU 119.A N PHE 115.A O no hydrogen 2.850 N/A TRP 120.A N ASN 116.A O no hydrogen 2.828 N/A TYR 121.A N VAL 117.A O no hydrogen 2.803 N/A THR 122.A N ALA 118.A O no hydrogen 3.341 N/A THR 122.A OG1 LEU 119.A O no hydrogen 2.533 N/A LYS 123.A N LEU 119.A O no hydrogen 3.104 N/A LYS 123.A NZ ASN 7.A O no hydrogen 2.696 N/A TYR 124.A N TRP 120.A O no hydrogen 2.915 N/A ALA 125.A N TYR 121.A O no hydrogen 3.002 N/A SER 126.A N THR 122.A O no hydrogen 2.700 N/A SER 126.A OG LYS 123.A O no hydrogen 3.456 N/A ARG 127.A N LYS 123.A O no hydrogen 2.807 N/A LEU 128.A N TYR 124.A O no hydrogen 2.962 N/A ALA 129.A N SER 126.A O no hydrogen 3.112 N/A GLY 130.A N ARG 127.A O no hydrogen 3.365 N/A GLU 138.A N THR 135.A OG1 no hydrogen 3.142 N/A ALA 139.A N THR 135.A O no hydrogen 2.989 N/A LYS 140.A N GLU 136.A O no hydrogen 3.417 N/A LYS 140.A NZ GLU 136.A OE2 no hydrogen 3.084 N/A LYS 140.A NZ ASP 137.A OD2 no hydrogen 3.558 N/A VAL 142.A N GLU 138.A O no hydrogen 3.122 N/A HIS 143.A N ALA 139.A O no hydrogen 2.766 N/A ARG 144.A N LYS 140.A O no hydrogen 2.840 N/A SER 145.A N GLU 141.A O no hydrogen 2.720 N/A SER 145.A OG GLU 141.A O no hydrogen 2.742 N/A LEU 146.A N VAL 142.A O no hydrogen 3.233 N/A LYS 147.A N HIS 143.A O no hydrogen 3.354 N/A LYS 147.A N ARG 144.A O no hydrogen 3.057 N/A ILE 148.A N ARG 144.A O no hydrogen 2.939 N/A ALA 149.A N SER 145.A O no hydrogen 2.926 N/A ALA 150.A N LEU 146.A O no hydrogen 2.917 N/A GLY 151.A N LYS 147.A O no hydrogen 2.973 N/A ILE 152.A N ILE 148.A O no hydrogen 3.126 N/A PHE 153.A N ALA 149.A O no hydrogen 3.111 N/A LYS 154.A N ALA 150.A O no hydrogen 3.168 N/A HIS 155.A N GLY 151.A O no hydrogen 2.987 N/A LEU 156.A N ILE 152.A O no hydrogen 2.912 N/A LYS 157.A N PHE 153.A O no hydrogen 2.976 N/A GLU 158.A N LYS 154.A O no hydrogen 3.118 N/A SER 159.A N HIS 155.A O no hydrogen 2.820 N/A HIS 160.A NE2 HIS 155.A NE2 no hydrogen 3.112 N/A LEU 161.A N LEU 156.A O no hydrogen 3.046 N/A LYS 163.A N HIS 160.A O no hydrogen 2.715 N/A LEU 164.A N LEU 161.A O no hydrogen 2.943 N/A THR 166.A OG1 PRO 167.A O no hydrogen 3.157 N/A LYS 170.A NZ SER 228.A O no hydrogen 3.093 N/A ARG 172.A N GLU 169.A O no hydrogen 3.161 N/A ARG 172.A NH1 ASP 93.A OD1 no hydrogen 2.942 N/A ARG 172.A NH1 VAL 99.A O no hydrogen 3.443 N/A ASP 173.A N ASP 93.A OD2 no hydrogen 2.773 N/A GLU 175.A N ARG 172.A O no hydrogen 3.000 N/A SER 176.A OG GLU 175.A OE2 no hydrogen 2.897 N/A ARG 177.A N GLU 175.A OE2 no hydrogen 2.762 N/A ILE 179.A N GLU 175.A O no hydrogen 3.118 N/A GLU 180.A N SER 176.A O no hydrogen 3.003 N/A ALA 181.A N ARG 177.A O no hydrogen 3.211 N/A TYR 182.A N LEU 178.A O no hydrogen 3.342 N/A TYR 182.A OH THR 94.A OG1 no hydrogen 3.328 N/A VAL 183.A N ILE 179.A O no hydrogen 3.031 N/A ILE 184.A N GLU 180.A O no hydrogen 3.335 N/A GLN 185.A N ALA 181.A O no hydrogen 2.856 N/A CYS 186.A N TYR 182.A O no hydrogen 2.780 N/A CYS 186.A SG TYR 182.A O no hydrogen 3.336 N/A GLN 187.A N VAL 183.A O no hydrogen 2.930 N/A GLN 187.A NE2 VAL 350.A O no hydrogen 2.723 N/A ALA 188.A N ILE 184.A O no hydrogen 2.777 N/A GLU 189.A N GLN 185.A O no hydrogen 2.765 N/A ALA 190.A N CYS 186.A O no hydrogen 3.088 N/A GLN 191.A N GLN 187.A O no hydrogen 3.178 N/A GLN 191.A NE2 THR 215.A OG1 no hydrogen 3.221 N/A GLU 192.A N ALA 188.A O no hydrogen 2.999 N/A VAL 193.A N GLU 189.A O no hydrogen 3.334 N/A THR 194.A N ALA 190.A O no hydrogen 3.036 N/A ILE 195.A N GLN 191.A O no hydrogen 2.771 N/A ALA 196.A N GLU 192.A O no hydrogen 2.852 N/A ARG 197.A N VAL 193.A O no hydrogen 2.886 N/A ARG 197.A NH2 GLU 136.A OE2 no hydrogen 3.074 N/A ALA 198.A N THR 194.A O no hydrogen 2.685 N/A ILE 199.A N ILE 195.A O no hydrogen 2.878 N/A GLU 200.A N ALA 196.A O no hydrogen 3.331 N/A LEU 201.A N ARG 197.A O no hydrogen 3.078 N/A LYS 202.A N ILE 199.A O no hydrogen 3.168 N/A HIS 203.A N ALA 198.A O no hydrogen 3.136 N/A ILE 208.A N ALA 204.A O no hydrogen 3.355 N/A ALA 209.A N PRO 205.A O no hydrogen 3.085 N/A ALA 210.A N GLY 206.A O no hydrogen 3.115 N/A LEU 211.A N LEU 207.A O no hydrogen 2.880 N/A ALA 212.A N ILE 208.A O no hydrogen 3.113 N/A TYR 213.A N ALA 209.A O no hydrogen 2.812 N/A GLU 214.A N ALA 210.A O no hydrogen 2.936 N/A THR 215.A N LEU 211.A O no hydrogen 3.168 N/A THR 215.A OG1 LEU 211.A O no hydrogen 2.830 N/A ALA 216.A N ALA 212.A O no hydrogen 3.262 N/A ASN 217.A N TYR 213.A O no hydrogen 3.119 N/A PHE 218.A N GLU 214.A O no hydrogen 3.250 N/A PHE 218.A N THR 215.A O no hydrogen 3.135 N/A GLN 220.A N ALA 216.A O no hydrogen 2.994 N/A LYS 221.A N ASN 217.A O no hydrogen 2.865 N/A ALA 222.A N PHE 218.A O no hydrogen 2.831 N/A ASP 223.A N TYR 219.A O no hydrogen 2.941 N/A ASP 223.A N GLN 220.A O no hydrogen 2.919 N/A HIS 224.A N GLN 220.A O no hydrogen 2.909 N/A THR 225.A N LYS 221.A O no hydrogen 2.783 N/A THR 225.A OG1 LYS 221.A O no hydrogen 2.953 N/A LEU 226.A N ALA 222.A O no hydrogen 3.311 N/A SER 227.A N HIS 224.A O no hydrogen 2.825 N/A SER 227.A OG HIS 224.A O no hydrogen 2.557 N/A SER 228.A N THR 225.A O no hydrogen 3.465 N/A LEU 229.A N LEU 226.A O no hydrogen 3.032 N/A LYS 236.A NZ THR 299.A OG1 no hydrogen 2.469 N/A TRP 237.A NE1 GLN 185.A OE1 no hydrogen 2.912 N/A ARG 238.A N SER 234.A O no hydrogen 2.884 N/A LYS 239.A N ALA 235.A O no hydrogen 3.198 N/A TYR 240.A N LYS 236.A O no hydrogen 3.067 N/A TYR 240.A N TRP 237.A O no hydrogen 2.699 N/A LEU 241.A N TRP 237.A O no hydrogen 3.031 N/A HIS 242.A N ARG 238.A O no hydrogen 2.930 N/A LEU 243.A N LYS 239.A O no hydrogen 2.703 N/A LYS 244.A N TYR 240.A O no hydrogen 2.757 N/A LYS 244.A NZ TRP 3.A O no hydrogen 2.669 N/A LYS 244.A NZ GLU 192.A OE1 no hydrogen 3.436 N/A LYS 244.A NZ GLU 192.A OE2 no hydrogen 2.888 N/A LYS 244.A NZ TYR 240.A OH no hydrogen 3.287 N/A MET 245.A N LEU 241.A O no hydrogen 3.031 N/A CYS 246.A SG LEU 279.A O no hydrogen 3.802 N/A PHE 247.A N LEU 243.A O no hydrogen 2.958 N/A TYR 248.A N LYS 244.A O no hydrogen 2.905 N/A TYR 248.A OH GLU 192.A OE1 no hydrogen 2.999 N/A THR 249.A N MET 245.A O no hydrogen 3.101 N/A THR 249.A OG1 MET 245.A O no hydrogen 2.698 N/A ALA 250.A N CYS 246.A O no hydrogen 3.309 N/A ALA 252.A N TYR 248.A O no hydrogen 3.188 N/A TYR 253.A N THR 249.A O no hydrogen 3.051 N/A CYS 254.A N ALA 250.A O no hydrogen 2.908 N/A TYR 255.A N TYR 251.A O no hydrogen 2.823 N/A HIS 256.A N ALA 252.A O no hydrogen 2.727 N/A GLY 257.A N TYR 253.A O no hydrogen 2.745 N/A THR 259.A N HIS 256.A O no hydrogen 2.725 N/A THR 259.A OG1 TYR 255.A O no hydrogen 3.294 N/A LEU 260.A N GLY 257.A O no hydrogen 2.801 N/A LEU 261.A N GLY 257.A O no hydrogen 3.148 N/A ASP 264.A N LEU 261.A O no hydrogen 2.589 N/A LYS 265.A N LEU 260.A O no hydrogen 3.083 N/A ILE 270.A N CYS 266.A O no hydrogen 2.878 N/A ARG 271.A N GLY 267.A O no hydrogen 2.988 N/A ARG 271.A NE PRO 335.A O no hydrogen 2.906 N/A ARG 271.A NE THR 336.A O no hydrogen 2.898 N/A ARG 271.A NH1 ARG 271.A O no hydrogen 3.135 N/A ARG 271.A NH1 GLU 275.A OE1 no hydrogen 2.729 N/A ARG 271.A NH2 THR 336.A O no hydrogen 3.020 N/A SER 272.A OG GLU 268.A O no hydrogen 2.948 N/A SER 272.A OG ALA 269.A O no hydrogen 3.015 N/A LEU 273.A N ALA 269.A O no hydrogen 3.315 N/A GLN 274.A N ILE 270.A O no hydrogen 2.765 N/A GLU 275.A N ARG 271.A O no hydrogen 2.986 N/A ALA 276.A N SER 272.A O no hydrogen 2.649 N/A GLU 277.A N LEU 273.A O no hydrogen 3.122 N/A LYS 278.A N GLN 274.A O no hydrogen 2.627 N/A LEU 279.A N GLU 275.A O no hydrogen 2.997 N/A TYR 280.A N ALA 276.A O no hydrogen 2.895 N/A TYR 280.A OH HIS 305.A ND1 no hydrogen 2.595 N/A ALA 281.A N GLU 277.A O no hydrogen 3.265 N/A LYS 282.A N LYS 278.A O no hydrogen 3.175 N/A ALA 283.A N LEU 279.A O no hydrogen 2.661 N/A GLU 284.A N TYR 280.A O no hydrogen 3.449 N/A ALA 285.A N ALA 281.A O no hydrogen 3.145 N/A LEU 286.A N LYS 282.A O no hydrogen 2.923 N/A CYS 287.A N ALA 283.A O no hydrogen 2.923 N/A LYS 288.A N GLU 284.A O no hydrogen 3.159 N/A TYR 290.A N LEU 286.A O no hydrogen 2.969 N/A GLY 291.A N CYS 287.A O no hydrogen 3.112 N/A THR 293.A N GLU 289.A O no hydrogen 2.716 N/A THR 293.A OG1 GLU 289.A O no hydrogen 3.182 N/A VAL 300.A N TYR 290.A OH no hydrogen 3.266 N/A LYS 301.A NZ THR 299.A O no hydrogen 3.549 N/A SER 303.A OG THR 1.A OG1 no hydrogen 3.175 N/A HIS 305.A ND1 TYR 280.A OH no hydrogen 2.595 N/A LYS 310.A N LEU 306.A O no hydrogen 2.807 N/A LYS 310.A N PHE 307.A O no hydrogen 3.065 N/A LYS 310.A NZ GLU 258.A OE1 no hydrogen 3.125 N/A LEU 311.A N PHE 307.A O no hydrogen 2.773 N/A GLY 312.A N PHE 308.A O no hydrogen 2.546 N/A LEU 314.A N LYS 310.A O no hydrogen 3.209 N/A VAL 315.A N LEU 311.A O no hydrogen 2.707 N/A LYS 316.A N GLY 312.A O no hydrogen 2.962 N/A ASN 317.A N ASN 313.A O no hydrogen 2.689 N/A ASN 317.A ND2 ASN 313.A O no hydrogen 3.012 N/A THR 318.A N LEU 314.A O no hydrogen 2.663 N/A THR 318.A OG1 LEU 314.A O no hydrogen 2.639 N/A LEU 319.A N VAL 315.A O no hydrogen 3.094 N/A GLU 320.A N ASN 317.A O no hydrogen 3.299 N/A CYS 322.A N THR 318.A O no hydrogen 3.044 N/A GLU 325.A N CYS 322.A O no hydrogen 2.614 N/A TYR 330.A N PHE 328.A O no hydrogen 2.664 N/A GLN 332.A N ASN 326.A O no hydrogen 2.878 N/A LYS 333.A NZ ILE 334.A O no hydrogen 3.355 N/A VAL 350.A N GLN 191.A OE1 no hydrogen 3.032 N/A ILE 353.A N LYS 147.A O no hydrogen 2.884 N/A SER 361.A N SER 65.A O no hydrogen 2.578 N/A GLN 363.A N SER 361.A OG no hydrogen 3.373 N/A TRP 364.A N SER 361.A O no hydrogen 3.047 N/A TRP 364.A NE1 LEU 66.A O no hydrogen 3.061 N/A THR 365.A N THR 368.A OG1 no hydrogen 3.234 N/A THR 365.A OG1 THR 368.A OG1 no hydrogen 2.360 N/A GLU 367.A N GLU 367.A OE1 no hydrogen 2.701 N/A THR 368.A OG1 GLN 363.A O no hydrogen 3.241 N/A THR 368.A OG1 THR 365.A O no hydrogen 3.523 N/A THR 368.A OG1 THR 365.A OG1 no hydrogen 2.360 N/A LEU 369.A N THR 365.A O no hydrogen 2.811 N/A ALA 370.A N PRO 366.A O no hydrogen 2.764 N/A PHE 372.A N LEU 369.A O no hydrogen 3.065 N/A ASP 373.A N VAL 22.A O no hydrogen 2.599 N/A LYS 376.A N ASP 373.A O no hydrogen 3.115 N/A ARG 377.A N LEU 374.A O no hydrogen 3.310 N/A LYS 380.A NZ PRO 381.A O no hydrogen 2.550 N/A