Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ie1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N VAL 2.A O no hydrogen 3.042 N/A ASP 6.A N SER 164.A OG no hydrogen 2.789 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 3.129 N/A ASN 7.A ND2 MET 165.A O no hydrogen 2.951 N/A LEU 8.A N GLY 163.A O no hydrogen 3.013 N/A ARG 9.A N TYR 17.A O no hydrogen 3.127 N/A ARG 9.A NH1 ASP 6.A OD1 no hydrogen 2.827 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.774 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 2.514 N/A SER 12.A OG ALA 159.A O no hydrogen 3.407 N/A GLN 14.A N LYS 11.A O no hydrogen 2.951 N/A TYR 16.A OH GLU 315.A OE2 no hydrogen 2.662 N/A TYR 17.A N ARG 9.A O no hydrogen 2.919 N/A VAL 18.A N ILE 31.A O no hydrogen 2.741 N/A MET 20.A N LEU 29.A O no hydrogen 2.805 N/A THR 21.A N SER 88.A O no hydrogen 2.917 N/A VAL 22.A N GLN 27.A O no hydrogen 3.019 N/A GLY 23.A N LEU 86.A O no hydrogen 2.929 N/A SER 24.A N SER 59.A OG no hydrogen 3.272 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.924 N/A GLN 27.A N VAL 22.A O no hydrogen 2.882 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 3.005 N/A LEU 29.A N MET 20.A O no hydrogen 2.784 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 3.025 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.068 N/A ILE 31.A N VAL 18.A O no hydrogen 2.797 N/A LEU 32.A N GLY 119.A O no hydrogen 2.817 N/A VAL 33.A N TYR 16.A O no hydrogen 2.738 N/A ASP 34.A N LEU 121.A O no hydrogen 3.129 N/A THR 35.A N SER 220.A OG no hydrogen 3.164 N/A THR 35.A OG1 VAL 218.A O no hydrogen 2.923 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.964 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.524 N/A SER 38.A OG TYR 125.A O no hydrogen 2.562 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 3.001 N/A ALA 41.A N ILE 120.A O no hydrogen 3.052 N/A VAL 42.A N ALA 102.A O no hydrogen 3.104 N/A GLY 43.A N GLU 118.A O no hydrogen 2.818 N/A ALA 44.A N ILE 104.A O no hydrogen 3.103 N/A HIS 47.A N ALA 45.A O no hydrogen 2.578 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.068 N/A LEU 50.A N HIS 47.A O no hydrogen 2.978 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 3.025 N/A TYR 54.A N GLY 43.A O no hydrogen 2.705 N/A TYR 54.A OH ASP 85.A OD1 no hydrogen 2.851 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.940 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.579 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 3.041 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.808 N/A GLN 57.A NE2 GLN 55.A OE1 no hydrogen 3.568 N/A LEU 58.A N GLN 55.A O no hydrogen 3.043 N/A SER 59.A N ARG 56.A O no hydrogen 3.171 N/A SER 59.A OG THR 61.A OG1 no hydrogen 3.306 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 2.460 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 3.460 N/A SER 60.A N SER 24.A O no hydrogen 3.050 N/A SER 60.A OG SER 24.A O no hydrogen 3.420 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.924 N/A THR 61.A OG1 SER 59.A OG no hydrogen 3.306 N/A THR 61.A OG1 ASP 85.A OD2 no hydrogen 2.632 N/A TYR 62.A N SER 59.A O no hydrogen 3.408 N/A ARG 63.A N THR 84.A O no hydrogen 3.022 N/A LEU 65.A N LEU 82.A O no hydrogen 3.054 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.651 N/A VAL 69.A N GLY 80.A O no hydrogen 2.930 N/A VAL 71.A N TRP 78.A O no hydrogen 2.825 N/A TYR 73.A N GLY 76.A O no hydrogen 2.775 N/A THR 74.A OG1 THR 74.A O no hydrogen 2.585 N/A LYS 77.A N ASP 108.A O no hydrogen 3.001 N/A LYS 77.A NZ GLU 106.A OE1 no hydrogen 3.007 N/A TRP 78.A N VAL 71.A O no hydrogen 2.971 N/A GLU 79.A N GLU 106.A O no hydrogen 2.751 N/A GLY 80.A N VAL 69.A O no hydrogen 2.985 N/A GLU 81.A N ALA 103.A O no hydrogen 2.950 N/A LEU 82.A N LYS 67.A O no hydrogen 2.799 N/A GLY 83.A N ILE 101.A O no hydrogen 2.935 N/A THR 84.A N ARG 63.A O no hydrogen 2.949 N/A ASP 85.A N ALA 99.A O no hydrogen 3.186 N/A LEU 86.A N ASP 85.A OD2 no hydrogen 2.426 N/A VAL 87.A N VAL 97.A O no hydrogen 2.666 N/A SER 88.A N THR 21.A O no hydrogen 3.065 N/A SER 88.A OG VAL 95.A O no hydrogen 3.220 N/A GLY 92.A N ILE 89.A O no hydrogen 2.754 N/A VAL 95.A N PRO 93.A O no hydrogen 2.914 N/A THR 96.A OG1 SER 88.A OG no hydrogen 2.959 N/A VAL 97.A N VAL 87.A O no hydrogen 3.002 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 2.940 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.216 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.841 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.964 N/A ALA 99.A N ASP 85.A O no hydrogen 2.978 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.982 N/A ILE 101.A N GLY 83.A O no hydrogen 2.692 N/A ALA 102.A N PHE 40.A O no hydrogen 2.948 N/A ALA 103.A N GLU 81.A O no hydrogen 2.921 N/A ILE 104.A N VAL 42.A O no hydrogen 2.710 N/A THR 105.A N GLU 79.A O no hydrogen 2.955 N/A THR 105.A OG1 GLU 79.A O no hydrogen 3.517 N/A GLU 106.A N GLU 79.A O no hydrogen 3.238 N/A ASP 108.A N LYS 77.A O no hydrogen 2.710 N/A SER 115.A N ILE 112.A O no hydrogen 3.173 N/A SER 115.A OG ILE 112.A O no hydrogen 3.023 N/A ASN 116.A ND2 TYR 17.A OH no hydrogen 3.159 N/A GLU 118.A N ASN 30.A O no hydrogen 2.817 N/A ILE 120.A N ALA 41.A O no hydrogen 2.755 N/A LEU 121.A N LEU 32.A O no hydrogen 2.694 N/A GLY 122.A N ASN 39.A O no hydrogen 2.884 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 2.765 N/A TYR 125.A N TRP 188.A O no hydrogen 2.958 N/A ILE 128.A N TYR 125.A O no hydrogen 3.419 N/A ALA 129.A N ALA 126.A O no hydrogen 2.825 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.865 N/A SER 134.A N ASP 132.A OD1 no hydrogen 2.935 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.274 N/A LEU 135.A N ASP 132.A O no hydrogen 3.393 N/A SER 141.A N PRO 137.A O no hydrogen 3.153 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.707 N/A SER 141.A OG PRO 137.A O no hydrogen 3.287 N/A LEU 142.A N PHE 138.A O no hydrogen 2.827 N/A VAL 143.A N PHE 139.A O no hydrogen 2.965 N/A LYS 144.A N ASP 140.A O no hydrogen 2.994 N/A LYS 144.A NZ GLU 136.A OE2 no hydrogen 3.010 N/A GLN 145.A N SER 141.A O no hydrogen 3.049 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.746 N/A THR 146.A N LEU 142.A O no hydrogen 3.160 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.663 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.241 N/A LEU 151.A N PRO 149.A O no hydrogen 2.819 N/A PHE 152.A N PHE 321.A O no hydrogen 3.311 N/A SER 153.A N ILE 166.A O no hydrogen 3.047 N/A SER 153.A OG GLY 169.A O no hydrogen 3.048 N/A SER 153.A OG TYR 318.A OH no hydrogen 2.574 N/A LEU 154.A N VAL 319.A O no hydrogen 2.766 N/A GLN 155.A N SER 164.A O no hydrogen 2.920 N/A GLN 155.A NE2 SER 333.A OG no hydrogen 3.309 N/A CYS 157.A N GLY 162.A O no hydrogen 2.764 N/A CYS 157.A SG GLN 155.A O no hydrogen 4.012 N/A VAL 161.A N GLY 10.A O no hydrogen 2.782 N/A GLY 162.A N CYS 157.A O no hydrogen 3.179 N/A GLY 163.A N LEU 8.A O no hydrogen 3.146 N/A SER 164.A N GLN 155.A O no hydrogen 2.879 N/A MET 165.A N ASN 7.A OD1 no hydrogen 2.781 N/A ILE 166.A N SER 153.A O no hydrogen 2.908 N/A GLY 168.A N LEU 151.A O no hydrogen 2.819 N/A ASP 171.A N TYR 318.A OH no hydrogen 3.102 N/A HIS 172.A ND1 TYR 175.A OH no hydrogen 2.707 N/A SER 173.A N ASP 171.A OD1 no hydrogen 2.981 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.302 N/A LEU 174.A N ASP 171.A O no hydrogen 3.031 N/A TYR 175.A OH HIS 172.A ND1 no hydrogen 2.707 N/A THR 176.A N VAL 332.A O no hydrogen 2.997 N/A SER 178.A OG LEU 179.A O no hydrogen 3.126 N/A TRP 180.A N PHE 330.A O no hydrogen 2.798 N/A THR 182.A N ILE 328.A O no hydrogen 2.785 N/A THR 182.A OG1 MET 272.A O no hydrogen 2.532 N/A ILE 184.A N LYS 326.A O no hydrogen 2.800 N/A ARG 185.A N GLU 191.A O no hydrogen 2.889 N/A ARG 185.A NH1 GLU 191.A OE2 no hydrogen 3.387 N/A ARG 185.A NH1 TYR 360.A O no hydrogen 3.089 N/A ARG 185.A NH2 TYR 360.A O no hydrogen 2.919 N/A ARG 186.A NH1 GLU 127.A OE2 no hydrogen 2.434 N/A TRP 188.A N ARG 186.A O no hydrogen 3.134 N/A TRP 188.A N TYR 189.A O no hydrogen 3.187 N/A TRP 188.A NE1 GLU 191.A OE1 no hydrogen 3.159 N/A TYR 190.A OH LEU 123.A O no hydrogen 2.565 N/A VAL 192.A N SER 216.A O no hydrogen 2.880 N/A ILE 194.A N ASN 212.A OD1 no hydrogen 2.747 N/A VAL 195.A N TYR 270.A O no hydrogen 2.789 N/A GLU 198.A N SER 268.A O no hydrogen 2.971 N/A ILE 199.A N GLN 202.A O no hydrogen 2.836 N/A ASN 200.A N VAL 266.A O no hydrogen 2.811 N/A GLN 202.A N ILE 199.A O no hydrogen 2.953 N/A LEU 204.A N VAL 197.A O no hydrogen 3.199 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 3.238 N/A LYS 209.A NZ ASP 357.A O no hydrogen 2.524 N/A GLU 210.A N ASP 207.A O no hydrogen 2.807 N/A ASN 212.A N LYS 209.A O no hydrogen 3.050 N/A ASN 212.A ND2 ILE 194.A O no hydrogen 2.721 N/A ASN 212.A ND2 CYS 358.A O no hydrogen 2.944 N/A TYR 213.A N GLU 210.A O no hydrogen 3.097 N/A LYS 215.A NZ ASP 214.A OD1 no hydrogen 2.439 N/A LYS 215.A NZ THR 305.A O no hydrogen 2.769 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 2.716 N/A ILE 217.A N THR 307.A O no hydrogen 2.963 N/A VAL 218.A N TYR 190.A O no hydrogen 3.010 N/A ASP 219.A N MET 309.A O no hydrogen 2.960 N/A SER 220.A N THR 35.A OG1 no hydrogen 2.908 N/A SER 220.A OG VAL 33.A O no hydrogen 2.912 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.630 N/A THR 222.A OG1 ASP 219.A OD2 no hydrogen 2.878 N/A LEU 225.A N ALA 299.A O no hydrogen 3.107 N/A ARG 226.A N VAL 308.A O no hydrogen 2.978 N/A LEU 227.A N SER 301.A O no hydrogen 3.015 N/A PHE 232.A N PRO 228.A O no hydrogen 2.420 N/A GLU 233.A N LYS 229.A O no hydrogen 2.509 N/A ALA 234.A N LYS 230.A O no hydrogen 3.076 N/A ALA 235.A N VAL 231.A O no hydrogen 2.595 N/A VAL 236.A N PHE 232.A O no hydrogen 2.766 N/A LYS 237.A N GLU 233.A O no hydrogen 3.099 N/A SER 238.A N ALA 234.A O no hydrogen 3.231 N/A ILE 239.A N ALA 235.A O no hydrogen 2.905 N/A LYS 240.A N VAL 236.A O no hydrogen 2.573 N/A ALA 241.A N LYS 237.A O no hydrogen 3.169 N/A ALA 242.A N SER 238.A O no hydrogen 3.206 N/A SER 243.A N LYS 240.A O no hydrogen 3.242 N/A SER 243.A OG ILE 239.A O no hydrogen 2.592 N/A SER 244.A OG ALA 241.A O no hydrogen 2.853 N/A TRP 253.A N ASP 250.A O no hydrogen 3.187 N/A LEU 254.A N GLY 251.A O no hydrogen 2.985 N/A GLY 255.A N PHE 252.A O no hydrogen 3.286 N/A ILE 267.A N ILE 284.A O no hydrogen 3.237 N/A SER 268.A N GLU 198.A O no hydrogen 2.863 N/A LEU 269.A N ILE 282.A O no hydrogen 2.832 N/A TYR 270.A N ARG 196.A O no hydrogen 2.705 N/A TYR 270.A OH GLU 198.A OE2 no hydrogen 2.722 N/A LEU 271.A N PHE 280.A O no hydrogen 2.764 N/A MET 272.A N ILE 193.A O no hydrogen 3.026 N/A GLY 273.A N GLN 278.A O no hydrogen 2.969 N/A VAL 275.A N GLN 278.A OE1 no hydrogen 3.221 N/A GLN 278.A N VAL 275.A O no hydrogen 2.927 N/A GLN 278.A NE2 SER 279.A O no hydrogen 2.915 N/A SER 279.A N PHE 350.A O no hydrogen 2.958 N/A SER 279.A OG THR 352.A OG1 no hydrogen 2.943 N/A PHE 280.A N LEU 271.A O no hydrogen 3.217 N/A ARG 281.A N GLU 347.A O no hydrogen 2.885 N/A ARG 281.A NE GLU 347.A OE2 no hydrogen 2.846 N/A ARG 281.A NH1 TYR 270.A OH no hydrogen 2.780 N/A ARG 281.A NH2 GLU 347.A OE2 no hydrogen 2.848 N/A ILE 282.A N LEU 269.A O no hydrogen 2.830 N/A THR 283.A N ALA 345.A O no hydrogen 2.975 N/A THR 283.A OG1 ALA 345.A O no hydrogen 3.353 N/A ILE 284.A N ILE 267.A O no hydrogen 2.937 N/A LEU 285.A N GLN 288.A OE1 no hydrogen 2.840 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.484 N/A GLN 287.A NE2 ASP 339.A OD2 no hydrogen 2.631 N/A GLN 288.A N LEU 285.A O no hydrogen 3.192 N/A GLN 288.A NE2 VAL 337.A O no hydrogen 3.394 N/A TYR 289.A OH PRO 265.A O no hydrogen 2.621 N/A LEU 290.A N PRO 286.A O no hydrogen 3.207 N/A LYS 297.A N ARG 291.A O no hydrogen 2.697 N/A ALA 299.A N TYR 289.A O no hydrogen 2.649 N/A SER 301.A N LEU 225.A O no hydrogen 3.030 N/A SER 303.A OG GLY 306.A O no hydrogen 2.823 N/A THR 305.A N SER 303.A OG no hydrogen 3.078 N/A THR 307.A N LYS 215.A O no hydrogen 2.736 N/A THR 307.A OG1 TYR 211.A O no hydrogen 2.449 N/A THR 307.A OG1 SER 216.A OG no hydrogen 3.365 N/A VAL 308.A N ARG 226.A O no hydrogen 2.665 N/A MET 309.A N ILE 217.A O no hydrogen 2.791 N/A ALA 311.A N THR 222.A O no hydrogen 2.919 N/A VAL 312.A N THR 223.A O no hydrogen 3.229 N/A ILE 313.A N GLY 310.A O no hydrogen 2.947 N/A MET 314.A N GLY 310.A O no hydrogen 2.978 N/A GLU 315.A N ALA 311.A O no hydrogen 2.828 N/A GLY 316.A N ILE 313.A O no hydrogen 3.089 N/A PHE 317.A N MET 314.A O no hydrogen 3.165 N/A TYR 318.A N ALA 331.A O no hydrogen 2.728 N/A VAL 319.A N LEU 154.A O no hydrogen 3.001 N/A VAL 320.A N GLY 329.A O no hydrogen 2.833 N/A PHE 321.A N PHE 152.A O no hydrogen 2.676 N/A ARG 323.A N PHE 321.A O no hydrogen 2.837 N/A ARG 323.A NE ASN 150.A OD1 no hydrogen 2.893 N/A ARG 323.A NH1 ASP 140.A OD1 no hydrogen 3.115 N/A ARG 323.A NH2 TYR 190.A OH no hydrogen 3.002 N/A ALA 324.A N ASN 150.A O no hydrogen 2.849 N/A ARG 325.A N ASP 322.A OD1 no hydrogen 3.239 N/A LYS 326.A N ARG 323.A O no hydrogen 3.226 N/A ARG 327.A N ASP 322.A O no hydrogen 3.095 N/A ARG 327.A NE ASP 322.A OD2 no hydrogen 3.053 N/A ARG 327.A NH1 GLU 274.A OE2 no hydrogen 2.523 N/A ARG 327.A NH2 ASP 322.A OD2 no hydrogen 3.435 N/A ILE 328.A N THR 182.A O no hydrogen 2.725 N/A GLY 329.A N VAL 320.A O no hydrogen 2.791 N/A PHE 330.A N TRP 180.A O no hydrogen 2.691 N/A ALA 331.A N TYR 318.A O no hydrogen 3.017 N/A SER 333.A N GLY 316.A O no hydrogen 3.301 N/A ALA 334.A N LEU 174.A O no hydrogen 3.038 N/A CYS 335.A N SER 333.A OG no hydrogen 3.256 N/A CYS 335.A SG SER 333.A OG no hydrogen 3.248 N/A HIS 336.A ND1 SER 333.A O no hydrogen 2.726 N/A HIS 338.A ND1 ASP 339.A O no hydrogen 3.041 N/A PHE 341.A N ASP 339.A OD1 no hydrogen 3.324 N/A ARG 342.A N ASP 339.A OD1 no hydrogen 2.936 N/A ARG 342.A NH1 PHE 264.A O no hydrogen 2.309 N/A ARG 342.A NH2 PHE 264.A O no hydrogen 2.768 N/A THR 343.A OG1 ALA 344.A O no hydrogen 3.410 N/A ALA 344.A N HIS 336.A NE2 no hydrogen 3.384 N/A ALA 345.A N THR 283.A O no hydrogen 3.288 N/A GLU 347.A N ARG 281.A O no hydrogen 2.910 N/A PHE 350.A N SER 279.A O no hydrogen 2.929 N/A THR 352.A N ASN 277.A O no hydrogen 3.020 N/A THR 352.A OG1 SER 279.A OG no hydrogen 2.943 N/A CYS 358.A N MET 355.A O no hydrogen 3.065 N/A CYS 358.A SG ASP 354.A O no hydrogen 3.617 N/A GLY 359.A N GLU 356.A O no hydrogen 3.209 N/A