Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3drr_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ASP 116.A OD1 no hydrogen 3.447 N/A LYS 6.A NZ PRO 4.A O no hydrogen 2.911 N/A LYS 8.A N ARG 78.A O no hydrogen 2.578 N/A VAL 16.A N ASN 52.A O no hydrogen 2.835 N/A GLN 18.A NE2 TRP 19.A O no hydrogen 3.193 N/A GLN 18.A NE2 VAL 55.A O no hydrogen 2.844 N/A LYS 25.A NZ GLU 24.A OE2 no hydrogen 3.401 N/A LYS 25.A NZ GLU 380.A OE1 no hydrogen 3.385 N/A ILE 26.A N THR 22.A O no hydrogen 2.805 N/A LYS 27.A N GLU 23.A O no hydrogen 3.145 N/A LYS 27.A NZ GLU 23.A O no hydrogen 3.044 N/A ALA 28.A N GLU 24.A O no hydrogen 3.180 N/A LEU 29.A N LYS 25.A O no hydrogen 3.111 N/A VAL 30.A N ILE 26.A O no hydrogen 2.687 N/A GLU 31.A N LYS 27.A O no hydrogen 2.882 N/A ILE 32.A N ALA 28.A O no hydrogen 3.223 N/A CYS 33.A N LEU 29.A O no hydrogen 2.965 N/A CYS 33.A SG LEU 29.A O no hydrogen 3.668 N/A THR 34.A N VAL 30.A O no hydrogen 3.106 N/A THR 34.A N GLU 31.A O no hydrogen 3.054 N/A THR 34.A OG1 VAL 30.A O no hydrogen 3.467 N/A GLU 35.A N GLU 31.A O no hydrogen 3.225 N/A MET 36.A N ILE 32.A O no hydrogen 2.981 N/A GLU 37.A N CYS 33.A O no hydrogen 2.933 N/A LYS 38.A N THR 34.A O no hydrogen 2.833 N/A LYS 38.A NZ GLU 35.A OE2 no hydrogen 2.820 N/A GLU 39.A N GLU 35.A O no hydrogen 2.748 N/A GLY 40.A N GLU 37.A O no hydrogen 2.703 N/A LYS 41.A N MET 36.A O no hydrogen 2.685 N/A SER 43.A N GLN 140.A O no hydrogen 2.829 N/A ILE 45.A N ARG 138.A O no hydrogen 3.144 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 3.087 N/A ASN 49.A N GLY 46.A O no hydrogen 2.968 N/A ASN 49.A ND2 LYS 121.A O no hydrogen 3.252 N/A ASN 49.A ND2 GLN 140.A OE1 no hydrogen 3.442 N/A TYR 51.A N ASN 49.A OD1 no hydrogen 3.116 N/A TYR 51.A OH ASP 12.A OD1 no hydrogen 2.406 N/A ASN 52.A N PRO 14.A O no hydrogen 2.805 N/A ASN 52.A ND2 VAL 16.A O no hydrogen 2.382 N/A THR 53.A N ALA 124.A O no hydrogen 2.883 N/A THR 53.A OG1 ALA 124.A O no hydrogen 3.538 N/A VAL 55.A N GLN 18.A OE1 no hydrogen 2.772 N/A PHE 56.A N LEU 69.A O no hydrogen 2.844 N/A ILE 58.A N ARG 67.A O no hydrogen 2.892 N/A LYS 59.A NZ THR 64.A O no hydrogen 2.345 N/A LYS 61.A NZ ASP 62.A OD1 no hydrogen 3.162 N/A ARG 67.A N ILE 58.A O no hydrogen 2.772 N/A ARG 67.A NH1 LYS 68.A O no hydrogen 3.420 N/A ARG 67.A NH2 ASP 180.A OD2 no hydrogen 3.440 N/A LYS 68.A NZ TYR 141.A OH no hydrogen 2.680 N/A LEU 69.A N PHE 56.A O no hydrogen 3.046 N/A ASP 71.A N PRO 54.A O no hydrogen 2.909 N/A PHE 72.A N VAL 70.A O no hydrogen 3.003 N/A ARG 73.A N ASP 71.A OD2 no hydrogen 3.306 N/A ARG 73.A NE ASP 71.A OD1 no hydrogen 3.299 N/A ARG 73.A NE ASP 71.A OD2 no hydrogen 2.909 N/A ARG 73.A NH1 PRO 388.A O no hydrogen 2.609 N/A ARG 73.A NH2 ASP 71.A OD1 no hydrogen 3.123 N/A ASN 76.A N PHE 72.A O no hydrogen 2.856 N/A ASN 76.A ND2 GLY 147.A O no hydrogen 3.417 N/A LYS 77.A N ARG 73.A O no hydrogen 3.289 N/A LYS 77.A N GLU 74.A O no hydrogen 2.877 N/A LYS 77.A NZ GLU 74.A OE1 no hydrogen 3.434 N/A ARG 78.A N GLU 74.A O no hydrogen 3.121 N/A ARG 78.A N LEU 75.A O no hydrogen 3.142 N/A ARG 78.A NE GLU 74.A OE2 no hydrogen 2.809 N/A THR 79.A N LEU 75.A O no hydrogen 3.036 N/A THR 79.A OG1 LEU 75.A O no hydrogen 3.515 N/A GLN 80.A NE2 GLU 84.A OE2 no hydrogen 3.260 N/A PHE 82.A N THR 79.A O no hydrogen 2.927 N/A TRP 83.A NE1 ASN 76.A O no hydrogen 2.923 N/A GLU 84.A N ASP 81.A O no hydrogen 3.294 N/A VAL 85.A N ASP 81.A O no hydrogen 2.965 N/A LEU 87.A N PHE 82.A O no hydrogen 2.806 N/A LYS 96.A NZ ALA 93.A O no hydrogen 2.294 N/A LYS 97.A N GLY 94.A O no hydrogen 2.585 N/A LYS 98.A N LEU 95.A O no hydrogen 3.248 N/A LYS 98.A NZ ASP 187.A OD1 no hydrogen 3.448 N/A SER 100.A N SER 186.A O no hydrogen 3.092 N/A VAL 101.A N LEU 214.A O no hydrogen 2.833 N/A THR 102.A N VAL 184.A O no hydrogen 2.862 N/A THR 102.A OG1 HIS 193.A NE2 no hydrogen 2.688 N/A VAL 103.A N TYR 212.A O no hydrogen 3.161 N/A LEU 104.A N LEU 182.A O no hydrogen 2.786 N/A VAL 106.A N ASP 180.A O no hydrogen 2.649 N/A GLY 107.A N ASP 105.A OD2 no hydrogen 2.782 N/A ALA 109.A N VAL 106.A O no hydrogen 3.028 N/A TYR 110.A OH GLN 177.A OE1 no hydrogen 3.188 N/A TYR 110.A OH MET 179.A O no hydrogen 3.177 N/A PHE 111.A N ASP 108.A O no hydrogen 3.284 N/A SER 112.A N ALA 109.A O no hydrogen 3.286 N/A SER 112.A OG ALA 109.A O no hydrogen 2.493 N/A LEU 115.A N ASN 142.A O no hydrogen 2.906 N/A ASP 118.A N ASP 116.A OD2 no hydrogen 3.143 N/A PHE 119.A N ASP 116.A O no hydrogen 2.931 N/A ARG 120.A N ASP 116.A O no hydrogen 3.306 N/A ARG 120.A NE LEU 115.A O no hydrogen 2.615 N/A ARG 120.A NH2 LEU 115.A O no hydrogen 2.474 N/A LYS 121.A NZ TYR 122.A OH no hydrogen 3.410 N/A TYR 122.A N PHE 119.A O no hydrogen 2.881 N/A THR 123.A N ARG 120.A O no hydrogen 2.681 N/A THR 123.A OG1 ARG 120.A O no hydrogen 2.607 N/A ALA 124.A N LYS 121.A O no hydrogen 3.210 N/A PHE 125.A N TYR 139.A O no hydrogen 3.021 N/A THR 126.A OG1 ASN 52.A OD1 no hydrogen 2.748 N/A ILE 127.A N ILE 137.A O no hydrogen 2.771 N/A SER 129.A OG THR 134.A O no hydrogen 2.843 N/A GLU 133.A N ILE 130.A O no hydrogen 3.152 N/A THR 134.A N SER 129.A OG no hydrogen 3.036 N/A THR 134.A OG1 PRO 135.A O no hydrogen 3.309 N/A ILE 137.A N ILE 127.A O no hydrogen 2.737 N/A ARG 138.A NH1 TYR 51.A O no hydrogen 3.021 N/A ARG 138.A NH1 THR 126.A OG1 no hydrogen 2.991 N/A ARG 138.A NH2 ASN 49.A O no hydrogen 2.839 N/A ARG 138.A NH2 TYR 51.A O no hydrogen 2.495 N/A TYR 139.A N PHE 125.A O no hydrogen 3.030 N/A GLN 140.A N SER 43.A O no hydrogen 3.144 N/A TYR 141.A N THR 123.A OG1 no hydrogen 2.745 N/A ASN 142.A N LYS 41.A O no hydrogen 2.622 N/A ASN 142.A ND2 SER 43.A OG no hydrogen 2.582 N/A LEU 144.A N VAL 113.A O no hydrogen 3.197 N/A TRP 148.A NE1 THR 79.A OG1 no hydrogen 3.305 N/A LYS 149.A N ASN 76.A OD1 no hydrogen 2.914 N/A LYS 149.A NZ TYR 178.A OH no hydrogen 3.295 N/A SER 151.A N TRP 148.A O no hydrogen 3.400 N/A SER 151.A OG PRO 145.A O no hydrogen 2.719 N/A SER 151.A OG TRP 148.A O no hydrogen 3.187 N/A ILE 154.A N GLY 150.A O no hydrogen 2.882 N/A PHE 155.A N SER 151.A O no hydrogen 2.592 N/A GLN 156.A N PRO 152.A O no hydrogen 2.688 N/A GLN 156.A NE2 ALA 153.A O no hydrogen 3.684 N/A SER 157.A OG ILE 154.A O no hydrogen 3.346 N/A SER 158.A N PHE 155.A O no hydrogen 2.764 N/A MET 159.A N PHE 155.A O no hydrogen 3.086 N/A THR 160.A N GLN 156.A O no hydrogen 3.094 N/A THR 160.A OG1 GLN 156.A O no hydrogen 2.927 N/A LYS 161.A N SER 157.A O no hydrogen 3.406 N/A LYS 161.A NZ THR 160.A O no hydrogen 3.437 N/A ILE 162.A N SER 158.A O no hydrogen 3.074 N/A LEU 163.A N MET 159.A O no hydrogen 2.949 N/A GLU 164.A N LYS 161.A O no hydrogen 3.068 N/A ARG 167.A N LEU 163.A O no hydrogen 3.091 N/A LYS 168.A N GLU 164.A O no hydrogen 3.002 N/A GLN 169.A N PRO 165.A O no hydrogen 3.137 N/A ASN 170.A N ARG 167.A O no hydrogen 2.878 N/A ILE 173.A N ASN 170.A O no hydrogen 2.977 N/A VAL 174.A N GLY 185.A O no hydrogen 2.870 N/A CYS 176.A N TYR 183.A O no hydrogen 2.719 N/A CYS 176.A SG HIS 91.A ND1 no hydrogen 3.991 N/A TYR 178.A N ASP 181.A O no hydrogen 3.053 N/A ASP 181.A N TYR 178.A O no hydrogen 3.169 N/A LEU 182.A N LEU 104.A O no hydrogen 2.838 N/A TYR 183.A N CYS 176.A O no hydrogen 2.417 N/A VAL 184.A N THR 102.A O no hydrogen 2.842 N/A GLY 185.A N VAL 174.A O no hydrogen 2.731 N/A SER 186.A N SER 100.A O no hydrogen 2.909 N/A SER 186.A OG HIS 193.A ND1 no hydrogen 2.476 N/A LEU 188.A N SER 186.A OG no hydrogen 3.228 N/A GLN 192.A N GLU 189.A OE1 no hydrogen 3.095 N/A HIS 193.A N GLU 189.A O no hydrogen 2.725 N/A HIS 193.A ND1 SER 186.A OG no hydrogen 2.476 N/A HIS 193.A NE2 THR 102.A OG1 no hydrogen 2.688 N/A ARG 194.A N ILE 190.A O no hydrogen 2.881 N/A THR 195.A N GLY 191.A O no hydrogen 2.931 N/A THR 195.A OG1 GLY 191.A O no hydrogen 2.860 N/A LYS 196.A N GLN 192.A O no hydrogen 2.975 N/A ILE 197.A N HIS 193.A O no hydrogen 2.834 N/A GLU 198.A N ARG 194.A O no hydrogen 2.921 N/A GLU 199.A N THR 195.A O no hydrogen 2.812 N/A LEU 200.A N LYS 196.A O no hydrogen 2.630 N/A ARG 201.A N ILE 197.A O no hydrogen 2.935 N/A ARG 201.A NH1 GLU 198.A OE1 no hydrogen 2.862 N/A GLN 202.A N GLU 198.A O no hydrogen 3.285 N/A GLN 202.A NE2 GLU 198.A OE2 no hydrogen 2.975 N/A LEU 204.A N LEU 200.A O no hydrogen 3.076 N/A LEU 205.A N ARG 201.A O no hydrogen 2.926 N/A ARG 206.A N HIS 203.A O no hydrogen 3.024 N/A ARG 206.A NH1 GLN 202.A O no hydrogen 2.956 N/A ARG 206.A NH1 GLN 202.A OE1 no hydrogen 2.649 N/A TRP 207.A N LEU 204.A O no hydrogen 3.124 N/A GLY 208.A N LEU 205.A O no hydrogen 3.330 N/A LEU 214.A N VAL 101.A O no hydrogen 2.635 N/A HIS 215.A ND1 LYS 99.A O no hydrogen 2.635 N/A ASP 217.A N LYS 98.A O no hydrogen 3.529 N/A LYS 218.A N HIS 215.A O no hydrogen 2.970 N/A TRP 219.A N PRO 216.A O no hydrogen 2.511 N/A VAL 234.A N GLU 271.A O no hydrogen 3.137 N/A ILE 237.A N THR 233.A O no hydrogen 3.041 N/A GLN 238.A N VAL 234.A O no hydrogen 2.587 N/A LYS 239.A N ASN 235.A O no hydrogen 2.416 N/A VAL 241.A N ILE 237.A O no hydrogen 2.578 N/A GLY 242.A N GLN 238.A O no hydrogen 2.880 N/A LYS 243.A N LYS 239.A O no hydrogen 2.959 N/A LYS 243.A NZ VAL 225.A O no hydrogen 3.419 N/A LYS 243.A NZ LEU 401.A O no hydrogen 3.095 N/A LYS 243.A NZ TRP 402.A O no hydrogen 2.912 N/A LEU 244.A N LEU 240.A O no hydrogen 2.858 N/A ASN 245.A N VAL 241.A O no hydrogen 2.268 N/A TRP 246.A N GLY 242.A O no hydrogen 2.909 N/A ALA 247.A N LYS 243.A O no hydrogen 2.812 N/A SER 248.A N LEU 244.A O no hydrogen 3.251 N/A SER 248.A OG LEU 244.A O no hydrogen 2.863 N/A SER 248.A OG ASN 245.A O no hydrogen 2.345 N/A LYS 255.A NZ GLY 253.A O no hydrogen 2.300 N/A GLN 258.A N GLU 282.A OE1 no hydrogen 3.135 N/A GLN 258.A N GLU 282.A OE2 no hydrogen 3.389 N/A LEU 259.A N GLU 282.A OE1 no hydrogen 3.279 N/A CYS 260.A N VAL 256.A O no hydrogen 3.070 N/A LEU 262.A N LEU 259.A O no hydrogen 3.011 N/A LEU 263.A N CYS 260.A O no hydrogen 2.712 N/A LYS 267.A NZ LEU 262.A O no hydrogen 2.627 N/A ILE 273.A N TRP 232.A O no hydrogen 3.161 N/A THR 276.A OG1 GLU 278.A OE1 no hydrogen 2.518 N/A GLU 280.A N THR 276.A O no hydrogen 3.333 N/A LEU 281.A N GLU 277.A O no hydrogen 2.686 N/A GLU 282.A N ALA 279.A O no hydrogen 2.852 N/A LEU 283.A N ALA 279.A O no hydrogen 3.140 N/A ALA 284.A N GLU 280.A O no hydrogen 3.184 N/A GLU 285.A N LEU 281.A O no hydrogen 2.997 N/A ASN 286.A N GLU 282.A O no hydrogen 2.811 N/A ARG 287.A N LEU 283.A O no hydrogen 2.297 N/A ARG 287.A NH1 LEU 226.A O no hydrogen 2.738 N/A ARG 287.A NH1 PRO 227.A O no hydrogen 3.121 N/A ARG 287.A NH2 PRO 227.A O no hydrogen 2.434 N/A GLU 288.A N ALA 284.A O no hydrogen 2.675 N/A ILE 289.A N GLU 285.A O no hydrogen 3.037 N/A LEU 290.A N ASN 286.A O no hydrogen 2.778 N/A LEU 290.A N ARG 287.A O no hydrogen 3.095 N/A LYS 291.A N GLU 288.A O no hydrogen 3.122 N/A ASP 300.A N GLN 323.A OE1 no hydrogen 2.770 N/A SER 302.A N ASP 300.A OD1 no hydrogen 2.973 N/A SER 302.A OG ASP 300.A OD1 no hydrogen 2.992 N/A SER 302.A OG ASP 300.A OD2 no hydrogen 3.542 N/A LYS 303.A N ASP 300.A O no hydrogen 2.727 N/A LYS 303.A NZ GLU 324.A OE2 no hydrogen 2.298 N/A ILE 306.A N TYR 322.A O no hydrogen 2.667 N/A ALA 307.A N LYS 364.A O no hydrogen 2.962 N/A GLU 308.A N GLN 320.A O no hydrogen 3.075 N/A GLN 310.A N THR 318.A O no hydrogen 2.929 N/A GLN 310.A NE2 GLN 320.A OE1 no hydrogen 2.783 N/A LYS 311.A NZ ASP 340.A OD2 no hydrogen 2.757 N/A GLN 312.A N GLN 316.A O no hydrogen 2.868 N/A GLN 312.A NE2 THR 318.A OG1 no hydrogen 2.706 N/A GLN 312.A NE2 LYS 400.A O no hydrogen 2.932 N/A GLN 316.A N GLY 313.A O no hydrogen 2.734 N/A GLN 316.A NE2 GLN 314.A OE1 no hydrogen 3.413 N/A TRP 317.A N TYR 334.A O no hydrogen 2.786 N/A THR 318.A N GLN 310.A O no hydrogen 3.055 N/A THR 318.A OG1 GLN 310.A OE1 no hydrogen 2.710 N/A TYR 319.A N GLY 332.A O no hydrogen 2.982 N/A TYR 319.A OH GLU 354.A OE1 no hydrogen 2.623 N/A GLN 320.A N GLU 308.A O no hydrogen 3.067 N/A GLN 320.A NE2 GLN 310.A OE1 no hydrogen 2.496 N/A ILE 321.A N LYS 330.A O no hydrogen 2.550 N/A TYR 322.A N ILE 306.A O no hydrogen 2.784 N/A TYR 322.A OH GLU 308.A OE2 no hydrogen 3.252 N/A GLN 323.A NE2 ASP 300.A O no hydrogen 2.698 N/A GLN 323.A NE2 LYS 303.A O no hydrogen 2.684 N/A GLN 323.A NE2 ASP 304.A O no hydrogen 3.684 N/A LYS 327.A N GLU 324.A O no hydrogen 2.865 N/A LYS 327.A NZ GLU 324.A OE1 no hydrogen 3.289 N/A ASN 328.A ND2 TYR 403.A OH no hydrogen 3.215 N/A LEU 329.A N ILE 321.A O no hydrogen 2.801 N/A LYS 330.A N ILE 321.A O no hydrogen 3.102 N/A LYS 330.A NZ THR 331.A O no hydrogen 3.104 N/A GLY 332.A N TYR 319.A O no hydrogen 2.947 N/A TYR 334.A N TRP 317.A O no hydrogen 2.589 N/A ARG 336.A N GLY 315.A O no hydrogen 2.808 N/A ASN 339.A ND2 TYR 381.A OH no hydrogen 3.448 N/A LYS 342.A N ASN 339.A OD1 no hydrogen 2.711 N/A LYS 342.A NZ GLU 346.A OE1 no hydrogen 3.171 N/A GLN 343.A N ASN 339.A O no hydrogen 3.068 N/A LEU 344.A N ASP 340.A O no hydrogen 2.735 N/A THR 345.A N VAL 341.A O no hydrogen 2.631 N/A THR 345.A OG1 VAL 341.A O no hydrogen 3.218 N/A GLU 346.A N LYS 342.A O no hydrogen 3.036 N/A ALA 347.A N GLN 343.A O no hydrogen 2.915 N/A VAL 348.A N LEU 344.A O no hydrogen 2.999 N/A GLN 349.A N THR 345.A O no hydrogen 3.144 N/A LYS 350.A N GLU 346.A O no hydrogen 3.038 N/A LYS 350.A NZ LYS 333.A O no hydrogen 2.521 N/A ILE 351.A N ALA 347.A O no hydrogen 2.987 N/A THR 352.A N VAL 348.A O no hydrogen 3.196 N/A THR 352.A OG1 VAL 348.A O no hydrogen 2.701 N/A THR 353.A N GLN 349.A O no hydrogen 2.865 N/A GLU 354.A N LYS 350.A O no hydrogen 3.016 N/A SER 355.A N ILE 351.A O no hydrogen 2.790 N/A SER 355.A OG LYS 361.A O no hydrogen 2.380 N/A ILE 356.A N THR 352.A O no hydrogen 2.929 N/A VAL 357.A N THR 353.A O no hydrogen 2.784 N/A ILE 358.A N GLU 354.A O no hydrogen 2.807 N/A TRP 359.A N SER 355.A O no hydrogen 2.846 N/A GLY 360.A N ILE 356.A O no hydrogen 2.901 N/A LYS 361.A NZ PRO 301.A O no hydrogen 3.543 N/A LYS 361.A NZ LYS 303.A O no hydrogen 2.650 N/A LYS 364.A N LEU 305.A O no hydrogen 2.668 N/A PHE 365.A N GLU 389.A O no hydrogen 2.715 N/A LYS 366.A N ALA 307.A O no hydrogen 2.944 N/A LEU 367.A N GLU 391.A O no hydrogen 2.803 N/A LYS 371.A NZ GLU 375.A OE1 no hydrogen 2.614 N/A LYS 371.A NZ GLU 375.A OE2 no hydrogen 2.560 N/A TRP 374.A N GLN 370.A O no hydrogen 2.974 N/A GLU 375.A N LYS 371.A O no hydrogen 2.643 N/A THR 376.A N GLU 372.A O no hydrogen 2.856 N/A TRP 377.A N THR 373.A O no hydrogen 3.076 N/A TRP 377.A N TRP 374.A O no hydrogen 3.180 N/A TRP 378.A N TRP 374.A O no hydrogen 3.168 N/A GLU 380.A N TRP 377.A O no hydrogen 2.902 N/A TYR 381.A N TRP 378.A O no hydrogen 2.837 N/A TRP 382.A N TRP 378.A O no hydrogen 2.811 N/A TRP 382.A NE1 TRP 386.A O no hydrogen 2.898 N/A GLU 391.A N PHE 365.A O no hydrogen 2.733 N/A VAL 393.A N LEU 367.A O no hydrogen 2.890 N/A VAL 399.A N PRO 396.A O no hydrogen 2.481 N/A LYS 400.A NZ LYS 311.A O no hydrogen 2.353 N/A TRP 402.A N LEU 398.A O no hydrogen 2.880 N/A TYR 403.A N VAL 399.A O no hydrogen 3.106 N/A GLN 404.A N LEU 401.A O no hydrogen 2.871 N/A GLN 404.A NE2 GLN 404.A O no hydrogen 2.336 N/A