Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wsi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N ILE 13.A O no hydrogen 3.277 N/A ILE 3.A N VAL 11.A O no hydrogen 3.152 N/A GLN 5.A NE2 GLY 4.A O no hydrogen 3.208 N/A VAL 11.A N ILE 3.A O no hydrogen 2.869 N/A LYS 12.A N LEU 89.A O no hydrogen 2.646 N/A ILE 13.A N GLU 1.A O no hydrogen 2.563 N/A VAL 14.A N PHE 87.A O no hydrogen 3.095 N/A ARG 15.A NH1 GLU 1.A OE1 no hydrogen 3.274 N/A ARG 15.A NH2 GLU 1.A OE1 no hydrogen 3.492 N/A ILE 16.A N LEU 85.A O no hydrogen 3.025 N/A LYS 18.A N GLY 83.A O no hydrogen 2.831 N/A LYS 18.A NZ ALA 19.A O no hydrogen 3.417 N/A LYS 18.A NZ ILE 22.A O no hydrogen 3.432 N/A LYS 18.A NZ LEU 78.A O no hydrogen 3.094 N/A LYS 18.A NZ MET 81.A O no hydrogen 3.371 N/A ILE 22.A N ALA 19.A O no hydrogen 2.940 N/A THR 27.A N ARG 39.A O no hydrogen 2.930 N/A THR 27.A OG1 SER 38.A OG no hydrogen 2.900 N/A ARG 29.A N ILE 36.A O no hydrogen 2.929 N/A ARG 29.A NE GLU 31.A OE1 no hydrogen 2.591 N/A ARG 29.A NH2 GLU 31.A OE1 no hydrogen 3.467 N/A ASN 30.A ND2 SER 34.A O no hydrogen 2.697 N/A ASN 30.A ND2 LYS 69.A O no hydrogen 3.108 N/A GLU 31.A N SER 34.A O no hydrogen 3.199 N/A SER 34.A N GLU 31.A O no hydrogen 3.085 N/A SER 34.A OG GLU 57.A OE2 no hydrogen 2.614 N/A ILE 36.A N ARG 29.A O no hydrogen 2.920 N/A ILE 37.A N ASP 56.A O no hydrogen 2.767 N/A SER 38.A N THR 27.A O no hydrogen 2.804 N/A SER 38.A OG THR 27.A O no hydrogen 3.332 N/A SER 38.A OG THR 27.A OG1 no hydrogen 2.900 N/A ARG 39.A NH1 ASP 143.A OD2 no hydrogen 3.163 N/A ARG 39.A NH2 ASP 143.A OD2 no hydrogen 3.341 N/A VAL 41.A N GLY 25.A O no hydrogen 2.668 N/A LYS 42.A N GLN 148.A OE1 no hydrogen 2.892 N/A GLY 43.A N GLU 47.A OE2 no hydrogen 3.170 N/A ALA 46.A N LEU 24.A O no hydrogen 2.898 N/A LYS 48.A N GLY 44.A O no hydrogen 3.187 N/A SER 49.A N ALA 45.A O no hydrogen 3.074 N/A SER 49.A OG ALA 45.A O no hydrogen 3.213 N/A SER 49.A OG ALA 46.A O no hydrogen 3.095 N/A GLY 50.A N GLU 47.A O no hydrogen 3.198 N/A HIS 53.A N ASP 56.A OD2 no hydrogen 2.874 N/A GLY 55.A N ILE 37.A O no hydrogen 2.575 N/A ASP 56.A N HIS 53.A O no hydrogen 3.084 N/A GLU 57.A N ILE 90.A O no hydrogen 3.015 N/A VAL 58.A N VAL 35.A O no hydrogen 2.826 N/A LEU 59.A N VAL 88.A O no hydrogen 2.792 N/A GLU 60.A N VAL 88.A O no hydrogen 3.285 N/A ILE 61.A N ILE 64.A O no hydrogen 3.216 N/A ASN 62.A N THR 86.A O no hydrogen 2.966 N/A ASN 62.A ND2 THR 84.A O no hydrogen 3.215 N/A ILE 64.A N ILE 61.A O no hydrogen 3.112 N/A ILE 66.A N LEU 59.A O no hydrogen 2.918 N/A ARG 67.A N LEU 59.A O no hydrogen 3.384 N/A GLY 68.A N ASP 33.A O no hydrogen 2.750 N/A LYS 69.A N ILE 66.A O no hydrogen 3.002 N/A ASP 70.A N GLU 73.A OE1 no hydrogen 3.276 N/A VAL 71.A N ASN 30.A OD1 no hydrogen 2.741 N/A ASN 72.A ND2 ASP 70.A OD2 no hydrogen 2.936 N/A GLU 73.A N ASP 70.A O no hydrogen 2.842 N/A VAL 74.A N ASP 70.A O no hydrogen 3.110 N/A PHE 75.A N VAL 71.A O no hydrogen 2.790 N/A ASP 76.A N ASN 72.A O no hydrogen 3.193 N/A LEU 77.A N GLU 73.A O no hydrogen 2.908 N/A LEU 78.A N VAL 74.A O no hydrogen 3.114 N/A SER 79.A N PHE 75.A O no hydrogen 3.245 N/A SER 79.A OG ASP 76.A O no hydrogen 2.540 N/A ASP 80.A N LEU 77.A O no hydrogen 2.950 N/A MET 81.A N LEU 78.A O no hydrogen 3.201 N/A GLY 83.A N LYS 18.A O no hydrogen 2.760 N/A THR 84.A OG1 GLU 17.A OE1 no hydrogen 2.511 N/A THR 84.A OG1 GLU 17.A OE2 no hydrogen 3.379 N/A LEU 85.A N ILE 16.A O no hydrogen 2.893 N/A THR 86.A N ASN 62.A OD1 no hydrogen 2.560 N/A PHE 87.A N VAL 14.A O no hydrogen 2.772 N/A VAL 88.A N GLU 60.A O no hydrogen 2.787 N/A LEU 89.A N LYS 12.A O no hydrogen 2.757 N/A ILE 90.A N GLU 57.A O no hydrogen 2.936 N/A SER 92.A N ASP 56.A OD1 no hydrogen 2.460 N/A SER 92.A OG GLU 54.A O no hydrogen 2.717 N/A GLN 94.A N SER 92.A OG no hydrogen 3.033 N/A ILE 105.A N VAL 138.A O no hydrogen 3.086 N/A HIS 106.A ND1 HIS 137.A ND1 no hydrogen 2.932 N/A VAL 107.A N LEU 136.A O no hydrogen 2.972 N/A ALA 109.A N ASP 134.A O no hydrogen 3.000 N/A TYR 113.A N PHE 130.A O no hydrogen 2.913 N/A TYR 113.A OH ASP 118.A OD2 no hydrogen 2.744 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 3.030 N/A ASP 117.A N ASP 114.A O no hydrogen 2.860 N/A ASP 118.A N PRO 115.A O no hydrogen 3.187 N/A TYR 120.A N ASP 118.A OD1 no hydrogen 2.978 N/A CYS 123.A SG GLU 125.A OE1.A no hydrogen 3.574 N/A ARG 124.A NH1 ASP 118.A O no hydrogen 2.775 N/A ARG 124.A NH2 ASP 118.A O no hydrogen 2.960 N/A GLU 125.A N.A GLU 125.A OE2.A no hydrogen 2.761 N/A LEU 126.A N CYS 123.A O no hydrogen 2.848 N/A GLY 127.A N ARG 124.A O no hydrogen 3.128 N/A LEU 128.A N LEU 163.A O no hydrogen 3.156 N/A PHE 130.A N TYR 113.A O no hydrogen 3.127 N/A GLN 131.A N ASP 134.A OD2 no hydrogen 2.587 N/A LYS 132.A N ASP 112.A OD1 no hydrogen 2.903 N/A GLY 133.A N ALA 109.A O no hydrogen 2.753 N/A ASP 134.A N GLN 131.A O no hydrogen 3.022 N/A LEU 136.A N VAL 107.A O no hydrogen 2.820 N/A HIS 137.A N TYR 150.A O no hydrogen 2.849 N/A HIS 137.A ND1 HIS 106.A ND1 no hydrogen 2.932 N/A HIS 137.A NE2 GLU 152.A OE1 no hydrogen 3.000 N/A VAL 138.A N ILE 105.A O no hydrogen 2.860 N/A ILE 139.A N GLN 148.A O no hydrogen 2.787 N/A SER 140.A N GLN 148.A O no hydrogen 3.177 N/A GLU 142.A N SER 140.A OG no hydrogen 3.313 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 3.364 N/A ASN 145.A ND2 GLN 287.A O no hydrogen 3.244 N/A TRP 146.A N ASP 143.A O no hydrogen 2.942 N/A TRP 147.A N VAL 164.A O no hydrogen 2.861 N/A GLN 148.A N SER 140.A O no hydrogen 2.892 N/A GLN 148.A NE2 ILE 40.A O no hydrogen 3.074 N/A ALA 149.A N GLY 162.A O no hydrogen 2.810 N/A TYR 150.A N HIS 137.A O no hydrogen 3.117 N/A TYR 150.A OH PRO 159.A O no hydrogen 3.202 N/A ARG 151.A NH1 SER 129.A O no hydrogen 2.606 N/A GLU 152.A N ILE 135.A O no hydrogen 3.109 N/A ASP 154.A N ARG 151.A O no hydrogen 3.066 N/A GLN 158.A NE2 ASP 156.A O no hydrogen 3.214 N/A ALA 161.A N LYS 42.A O no hydrogen 3.207 N/A GLY 162.A N ALA 149.A O no hydrogen 2.808 N/A LEU 163.A N LEU 126.A O no hydrogen 2.730 N/A VAL 164.A N TRP 147.A O no hydrogen 2.891 N/A GLY 166.A N ASN 145.A O no hydrogen 3.062 N/A SER 177.A N VAL 366.A O no hydrogen 2.847 N/A SER 177.A OG SER 368.A OG no hydrogen 2.649 N/A TYR 179.A N GLN 364.A O no hydrogen 2.755 N/A ARG 185.A NH1 ASN 184.A O no hydrogen 3.270 N/A LYS 186.A NZ ALA 183.A O no hydrogen 3.338 N/A LYS 186.A NZ ASP 360.A OD1 no hydrogen 2.403 N/A ARG 187.A N GLN 181.A OE1 no hydrogen 2.768 N/A ARG 187.A NE LYS 298.A O no hydrogen 3.046 N/A ARG 187.A NH2 PRO 299.A O no hydrogen 3.078 N/A ILE 189.A N CYS 280.A O no hydrogen 2.806 N/A ILE 190.A N TYR 300.A O no hydrogen 3.054 N/A LEU 191.A N LEU 282.A O no hydrogen 2.934 N/A ILE 192.A N ILE 302.A O no hydrogen 3.177 N/A GLN 195.A NE2 GLU 327.A OE2 no hydrogen 3.391 N/A GLN 199.A NE2 SER 283.A OG no hydrogen 2.854 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.817 N/A LEU 202.A N GLY 198.A O no hydrogen 2.888 N/A ARG 203.A N GLN 199.A O no hydrogen 3.208 N/A ARG 203.A NE SER 283.A OG no hydrogen 3.043 N/A ARG 203.A NH1 ASN 200.A OD1 no hydrogen 2.708 N/A GLN 204.A N ASN 200.A O no hydrogen 3.355 N/A ARG 205.A N GLU 201.A O no hydrogen 2.992 N/A LEU 206.A N LEU 202.A O no hydrogen 3.055 N/A LEU 206.A N ARG 203.A O no hydrogen 2.861 N/A MET 207.A N ARG 203.A O no hydrogen 2.782 N/A ASN 208.A N GLN 204.A O no hydrogen 2.980 N/A LYS 209.A N ARG 205.A O no hydrogen 3.156 N/A GLU 210.A N LEU 206.A O no hydrogen 3.141 N/A ASP 212.A N ASP 212.A OD1 no hydrogen 2.354 N/A ARG 213.A N GLU 210.A O no hydrogen 3.389 N/A ARG 213.A NH1 GLU 210.A OE1 no hydrogen 3.343 N/A ARG 213.A NH1 ASN 357.A OD1 no hydrogen 2.506 N/A ARG 213.A NH2 ASN 357.A OD1 no hydrogen 2.997 N/A ALA 215.A N ILE 279.A O no hydrogen 2.945 N/A HIS 220.A N GLY 264.A O no hydrogen 2.679 N/A THR 221.A N HIS 236.A O no hydrogen 3.303 N/A THR 221.A OG1 LEU 262.A O no hydrogen 3.350 N/A THR 222.A N LEU 262.A O no hydrogen 3.124 N/A ARG 223.A N THR 221.A OG1 no hydrogen 2.993 N/A ARG 223.A NE SER 224.A O no hydrogen 3.615 N/A ARG 223.A NH2 GLU 229.A OE2 no hydrogen 2.868 N/A ARG 225.A NH1 GLU 229.A O no hydrogen 3.104 N/A ARG 226.A N GLU 229.A OE1 no hydrogen 3.043 N/A VAL 230.A N ASP 234.A OD2 no hydrogen 2.768 N/A ASP 234.A N VAL 230.A O no hydrogen 3.358 N/A HIS 236.A N PRO 219.A O no hydrogen 2.878 N/A VAL 238.A N THR 221.A O no hydrogen 2.981 N/A ALA 242.A N SER 239.A OG no hydrogen 3.352 N/A PHE 243.A N SER 239.A O no hydrogen 3.182 N/A GLU 244.A N ARG 240.A O no hydrogen 2.783 N/A ALA 245.A N GLN 241.A O no hydrogen 2.773 N/A ASP 246.A N ALA 242.A O no hydrogen 2.939 N/A ILE 247.A N PHE 243.A O no hydrogen 2.929 N/A ALA 248.A N GLU 244.A O no hydrogen 3.205 N/A ALA 249.A N ALA 245.A O no hydrogen 2.915 N/A GLY 250.A N ILE 247.A O no hydrogen 3.191 N/A LYS 251.A N ASP 246.A O no hydrogen 2.878 N/A ILE 253.A N THR 265.A O no hydrogen 2.941 N/A GLY 256.A N TYR 263.A O no hydrogen 2.724 N/A PHE 258.A N ASN 261.A O no hydrogen 2.777 N/A LYS 260.A NZ ASP 33.A OD1 no hydrogen 3.301 N/A ASN 261.A N PHE 258.A O no hydrogen 3.203 N/A ASN 261.A ND2 THR 222.A OG1 no hydrogen 2.915 N/A LEU 262.A N THR 222.A OG1 no hydrogen 2.939 N/A TYR 263.A N GLY 256.A O no hydrogen 2.836 N/A GLY 264.A N HIS 220.A O no hydrogen 3.159 N/A THR 265.A N GLU 254.A O no hydrogen 2.928 N/A SER 266.A OG SER 269.A OG no hydrogen 2.557 N/A ILE 267.A N LYS 251.A O no hydrogen 3.002 N/A SER 269.A N SER 266.A OG no hydrogen 2.929 N/A SER 269.A OG VAL 218.A O no hydrogen 2.876 N/A SER 269.A OG SER 266.A OG no hydrogen 2.557 N/A VAL 270.A N ILE 267.A O no hydrogen 3.169 N/A ARG 271.A N ILE 267.A O no hydrogen 3.057 N/A ARG 271.A NH2 ASP 296.A OD1 no hydrogen 2.499 N/A GLN 272.A N ASP 268.A O no hydrogen 2.848 N/A ILE 274.A N VAL 270.A O no hydrogen 2.914 N/A ASN 275.A N ARG 271.A O no hydrogen 3.217 N/A SER 276.A N VAL 273.A O no hydrogen 3.027 N/A SER 276.A OG VAL 273.A O no hydrogen 2.594 N/A GLY 277.A N ILE 274.A O no hydrogen 3.152 N/A LYS 278.A N SER 276.A OG no hydrogen 3.240 N/A LYS 278.A NZ LYS 211.A O no hydrogen 3.349 N/A LYS 278.A NZ ASP 212.A O no hydrogen 3.151 N/A LYS 278.A NZ PHE 214.A O no hydrogen 3.194 N/A ILE 279.A N ARG 213.A O no hydrogen 2.902 N/A LEU 281.A N ALA 215.A O no hydrogen 2.919 N/A LEU 282.A N ILE 189.A O no hydrogen 3.146 N/A LEU 284.A N LEU 191.A O no hydrogen 3.151 N/A ARG 285.A N GLU 254.A OE1 no hydrogen 2.899 N/A ARG 285.A NH1 GLN 287.A OE1 no hydrogen 3.071 N/A SER 288.A N ARG 285.A O no hydrogen 2.769 N/A SER 288.A OG GLU 254.A OE1 no hydrogen 3.164 N/A LEU 289.A N THR 286.A O no hydrogen 3.272 N/A LYS 290.A NZ PRO 144.A O no hydrogen 3.328 N/A LYS 290.A NZ GLY 166.A O no hydrogen 3.304 N/A LEU 292.A N SER 288.A O no hydrogen 3.347 N/A ARG 293.A N LEU 289.A O no hydrogen 3.057 N/A ASN 294.A N LYS 290.A O no hydrogen 3.392 N/A ASN 294.A ND2 GLU 168.A OE2 no hydrogen 3.285 N/A SER 295.A N LEU 292.A O no hydrogen 3.340 N/A SER 295.A OG LEU 292.A O no hydrogen 2.684 N/A LYS 298.A NZ TRP 370.A O no hydrogen 2.872 N/A TYR 300.A N PRO 188.A O no hydrogen 3.031 N/A ILE 301.A N ASP 337.A OD1 no hydrogen 3.023 N/A ILE 302.A N ILE 190.A O no hydrogen 2.802 N/A PHE 303.A N THR 338.A O no hydrogen 2.824 N/A ILE 304.A N ILE 192.A O no hydrogen 2.808 N/A ALA 305.A N ILE 340.A O no hydrogen 2.880 N/A ARG 311.A N SER 308.A OG no hydrogen 3.294 N/A LEU 312.A N SER 308.A O no hydrogen 2.828 N/A ARG 313.A N GLN 309.A O no hydrogen 3.165 N/A ALA 314.A N GLU 310.A O no hydrogen 3.216 N/A LEU 315.A N ARG 311.A O no hydrogen 3.334 N/A LEU 316.A N LEU 312.A O no hydrogen 3.112 N/A GLU 320.A N GLU 317.A O no hydrogen 3.399 N/A LYS 324.A N GLU 320.A O no hydrogen 3.040 N/A THR 325.A N ILE 321.A O no hydrogen 3.271 N/A THR 325.A OG1 ILE 321.A O no hydrogen 2.741 N/A THR 325.A OG1 ILE 322.A O no hydrogen 3.450 N/A ARG 326.A N ILE 322.A O no hydrogen 3.266 N/A ARG 326.A NH2 SER 116.A O no hydrogen 3.213 N/A GLU 327.A N GLU 323.A O no hydrogen 3.180 N/A MET 328.A N THR 325.A O no hydrogen 3.251 N/A GLN 330.A N GLU 327.A O no hydrogen 3.329 N/A GLN 330.A NE2 ASP 117.A O no hydrogen 2.633 N/A ASN 331.A N MET 328.A O no hydrogen 3.433 N/A ASP 337.A N ILE 301.A O no hydrogen 2.714 N/A THR 338.A OG1 TYR 300.A OH no hydrogen 3.296 N/A ILE 340.A N PHE 303.A O no hydrogen 2.663 N/A ASN 342.A N ALA 305.A O no hydrogen 2.754 N/A ASN 342.A ND2 CYS 197.A O no hydrogen 2.744 N/A ALA 348.A N ASP 344.A O no hydrogen 2.741 N/A TYR 349.A N LEU 345.A O no hydrogen 2.623 N/A GLN 350.A N ASP 346.A O no hydrogen 3.236 N/A GLU 351.A N LYS 347.A O no hydrogen 3.386 N/A LEU 352.A N ALA 348.A O no hydrogen 2.838 N/A LEU 353.A N TYR 349.A O no hydrogen 2.761 N/A ARG 354.A N GLN 350.A O no hydrogen 2.922 N/A ARG 354.A NE GLU 351.A OE1 no hydrogen 3.090 N/A ARG 354.A NH2 GLU 351.A OE1 no hydrogen 3.474 N/A ARG 354.A NH2 GLU 351.A OE2 no hydrogen 2.498 N/A LEU 355.A N GLU 351.A O no hydrogen 3.037 N/A ILE 356.A N LEU 352.A O no hydrogen 3.032 N/A ASN 357.A N LEU 353.A O no hydrogen 2.753 N/A LYS 358.A N ARG 354.A O no hydrogen 3.106 N/A LEU 359.A N ILE 356.A O no hydrogen 3.378 N/A ASP 360.A N ASN 357.A O no hydrogen 3.036 N/A GLU 362.A N LYS 358.A O no hydrogen 2.936 N/A GLN 364.A N TYR 179.A O no hydrogen 3.076 N/A GLN 364.A NE2 GLU 362.A O no hydrogen 3.017 N/A VAL 366.A N SER 177.A O no hydrogen 2.987 N/A SER 368.A N GLU 175.A O no hydrogen 2.989 N/A SER 368.A OG SER 177.A OG no hydrogen 2.649 N/A TRP 370.A N PRO 367.A O no hydrogen 2.807 N/A LEU 371.A N SER 368.A O no hydrogen 3.129 N/A ARG 372.A N SER 368.A O no hydrogen 3.165 N/A ARG 372.A NH1 GLU 175.A OE1 no hydrogen 3.390 N/A ARG 372.A NH2 GLU 175.A OE2 no hydrogen 3.136 N/A