Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ysh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH TYR 173.A OH no hydrogen 2.647 N/A VAL 6.A N ARG 28.A O no hydrogen 3.217 N/A ALA 7.A N ALA 201.A O no hydrogen 2.767 N/A ILE 8.A N ALA 30.A O no hydrogen 2.845 N/A VAL 9.A N VAL 203.A O no hydrogen 2.786 N/A GLY 10.A N PHE 32.A O no hydrogen 2.719 N/A GLY 11.A N GLU 33.A OE1 no hydrogen 3.152 N/A VAL 13.A N SER 42.A OG no hydrogen 2.987 N/A ALA 16.A N GLY 12.A O no hydrogen 3.001 N/A ALA 17.A N VAL 13.A O no hydrogen 3.035 N/A ILE 18.A N ILE 14.A O no hydrogen 3.117 N/A GLY 19.A N GLY 15.A O no hydrogen 2.896 N/A PHE 20.A N ALA 16.A O no hydrogen 2.884 N/A GLU 21.A N ALA 17.A O no hydrogen 3.040 N/A LEU 22.A N ILE 18.A O no hydrogen 3.000 N/A ALA 23.A N GLY 19.A O no hydrogen 3.018 N/A LYS 24.A N PHE 20.A O no hydrogen 3.154 N/A LYS 24.A NZ GLU 78.A OE2 no hydrogen 2.668 N/A ARG 25.A NE GLU 21.A OE2 no hydrogen 2.685 N/A ARG 25.A NH1 ASP 349.A OD1 no hydrogen 2.627 N/A ARG 25.A NH1 GLU 352.A OE1 no hydrogen 2.671 N/A ARG 25.A NH2 GLU 21.A OE2 no hydrogen 2.985 N/A ARG 25.A NH2 ASP 349.A OD1 no hydrogen 3.157 N/A ARG 26.A N ALA 23.A O no hydrogen 3.211 N/A HIS 27.A N LEU 22.A O no hydrogen 3.142 N/A HIS 27.A ND1 ASP 5.A OD2 no hydrogen 3.252 N/A HIS 27.A NE2 GLU 352.A OE2 no hydrogen 3.195 N/A ALA 30.A N VAL 6.A O no hydrogen 2.972 N/A ILE 31.A N CYS 171.A O no hydrogen 2.994 N/A PHE 32.A N ILE 8.A O no hydrogen 2.736 N/A GLU 33.A N TYR 173.A O no hydrogen 3.050 N/A GLY 35.A N GLU 33.A OE2 no hydrogen 2.659 N/A GLY 38.A N GLY 11.A O no hydrogen 2.903 N/A SER 39.A N THR 36.A O no hydrogen 3.317 N/A SER 39.A OG THR 36.A O no hydrogen 2.803 N/A SER 43.A N GLY 38.A O no hydrogen 3.171 N/A SER 43.A OG GLY 38.A O no hydrogen 2.611 N/A LEU 49.A N GLY 150.A O no hydrogen 2.728 N/A ALA 51.A N LEU 49.A O no hydrogen 2.907 N/A GLN 52.A N ASP 149.A OD1 no hydrogen 3.109 N/A GLN 52.A N ASP 149.A OD2 no hydrogen 3.206 N/A GLN 52.A NE2 PRO 120.A O no hydrogen 3.251 N/A SER 53.A N ASP 149.A OD2 no hydrogen 2.978 N/A SER 53.A OG ASP 149.A OD2 no hydrogen 3.188 N/A GLU 54.A N GLY 50.A O no hydrogen 3.399 N/A THR 57.A OG1 SER 56.A O no hydrogen 3.012 N/A ALA 65.A N LEU 61.A O no hydrogen 2.570 N/A LEU 66.A N VAL 62.A O no hydrogen 2.908 N/A GLN 67.A N PRO 63.A O no hydrogen 2.969 N/A SER 68.A N LEU 64.A O no hydrogen 2.842 N/A SER 68.A OG LEU 338.A O no hydrogen 2.683 N/A ARG 69.A N ALA 65.A O no hydrogen 3.074 N/A ARG 69.A NH1 GLY 148.A O no hydrogen 2.995 N/A ALA 70.A N GLN 67.A O no hydrogen 3.033 N/A LEU 71.A N SER 68.A O no hydrogen 3.122 N/A MET 72.A N ARG 69.A O no hydrogen 3.500 N/A LEU 75.A N LEU 71.A O no hydrogen 3.223 N/A ALA 76.A N MET 72.A O no hydrogen 2.895 N/A GLU 78.A N ALA 74.A O no hydrogen 3.102 N/A LEU 79.A N LEU 75.A O no hydrogen 2.820 N/A ARG 80.A N ALA 76.A O no hydrogen 3.258 N/A ARG 80.A NH1 ASP 86.A OD2 no hydrogen 2.770 N/A GLU 81.A N GLU 77.A O no hydrogen 2.868 N/A ARG 82.A N GLU 78.A O no hydrogen 2.885 N/A THR 83.A N LEU 79.A O no hydrogen 2.738 N/A THR 83.A OG1 LEU 79.A O no hydrogen 2.569 N/A GLY 84.A N ARG 80.A O no hydrogen 2.753 N/A ILE 85.A N THR 83.A OG1 no hydrogen 3.124 N/A GLY 88.A N ASP 86.A OD1 no hydrogen 2.734 N/A VAL 90.A N GLN 151.A O no hydrogen 2.926 N/A LYS 92.A NZ GLN 241.A OE1 no hydrogen 2.643 N/A LEU 94.A N ILE 146.A O no hydrogen 3.006 N/A ILE 95.A N THR 243.A O no hydrogen 2.901 N/A LYS 96.A N MET 144.A O no hydrogen 2.998 N/A LYS 96.A NZ PHE 245.A O no hydrogen 3.363 N/A LEU 97.A N PHE 245.A O no hydrogen 2.727 N/A ALA 98.A N GLY 142.A O no hydrogen 2.793 N/A THR 99.A N GLU 103.A OE1 no hydrogen 3.027 N/A THR 99.A OG1 GLU 103.A OE1 no hydrogen 2.809 N/A THR 99.A OG1 GLU 103.A OE2 no hydrogen 3.136 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.304 N/A ALA 104.A N THR 100.A O no hydrogen 2.831 N/A ASP 105.A N GLU 101.A O no hydrogen 3.218 N/A ASP 106.A N GLU 102.A O no hydrogen 3.265 N/A LEU 107.A N GLU 103.A O no hydrogen 2.923 N/A TYR 108.A N ALA 104.A O no hydrogen 3.047 N/A ARG 109.A N ASP 105.A O no hydrogen 3.162 N/A HIS 110.A N LEU 107.A O no hydrogen 3.036 N/A TYR 111.A N LEU 107.A O no hydrogen 2.831 N/A THR 112.A N TYR 108.A O no hydrogen 3.181 N/A THR 112.A OG1 TYR 108.A O no hydrogen 3.410 N/A TRP 114.A N HIS 110.A O no hydrogen 3.410 N/A TRP 114.A NE1 HIS 110.A NE2.A no hydrogen 2.911 N/A GLY 116.A N THR 112.A O no hydrogen 3.063 N/A ILE 117.A N PHE 113.A O no hydrogen 3.256 N/A GLU 119.A N TRP 114.A O no hydrogen 3.006 N/A GLN 122.A N TYR 145.A O no hydrogen 2.858 N/A LEU 124.A N ALA 143.A O no hydrogen 2.834 N/A THR 125.A OG1 GLU 128.A OE1 no hydrogen 3.397 N/A GLU 128.A N THR 125.A OG1 no hydrogen 3.002 N/A ALA 129.A N THR 125.A O no hydrogen 2.931 N/A LEU 130.A N GLY 127.A O no hydrogen 3.266 N/A MET 132.A N GLU 128.A O no hydrogen 3.438 N/A ARG 135.A NH1 ASP 293.A OD2 no hydrogen 2.615 N/A LEU 136.A N GLU 133.A O no hydrogen 3.475 N/A ALA 137.A N LEU 290.A O no hydrogen 2.899 N/A ALA 141.A N ALA 98.A O no hydrogen 3.208 N/A ALA 143.A N LEU 124.A O no hydrogen 3.207 N/A MET 144.A N LYS 96.A O no hydrogen 2.839 N/A TYR 145.A N GLN 122.A O no hydrogen 2.785 N/A ILE 146.A N LEU 94.A O no hydrogen 2.790 N/A GLN 151.A N VAL 90.A O no hydrogen 2.959 N/A GLN 151.A NE2 PRO 254.A O no hydrogen 2.515 N/A VAL 152.A N GLY 47.A O no hydrogen 2.857 N/A SER 153.A N ILE 87.A O no hydrogen 2.809 N/A SER 153.A OG ASP 156.A OD2 no hydrogen 2.769 N/A LEU 157.A N SER 153.A O no hydrogen 2.990 N/A ALA 158.A N ALA 154.A O no hydrogen 3.047 N/A ALA 159.A N PRO 155.A O no hydrogen 3.049 N/A ALA 160.A N ASP 156.A O no hydrogen 2.895 N/A LEU 161.A N LEU 157.A O no hydrogen 2.891 N/A ALA 162.A N ALA 158.A O no hydrogen 3.165 N/A TYR 163.A N ALA 159.A O no hydrogen 2.987 N/A ALA 164.A N ALA 160.A O no hydrogen 2.798 N/A ALA 165.A N LEU 161.A O no hydrogen 2.950 N/A ALA 166.A N ALA 162.A O no hydrogen 3.202 N/A SER 167.A N TYR 163.A O no hydrogen 2.981 N/A SER 167.A OG ALA 164.A O no hydrogen 3.403 N/A ALA 170.A N ALA 165.A O no hydrogen 2.806 N/A CYS 171.A N VAL 29.A O no hydrogen 3.088 N/A CYS 171.A SG TYR 4.A OH no hydrogen 3.590 N/A TYR 173.A N ILE 31.A O no hydrogen 2.802 N/A TYR 173.A OH TYR 4.A OH no hydrogen 2.647 N/A TYR 175.A N GLY 35.A O no hydrogen 2.688 N/A THR 176.A OG1 TYR 173.A O no hydrogen 3.360 N/A THR 176.A OG1 GLU 174.A O no hydrogen 3.263 N/A GLU 177.A N THR 193.A OG1 no hydrogen 3.341 N/A PHE 179.A N ASP 191.A O no hydrogen 2.846 N/A ASP 180.A N ASP 191.A O no hydrogen 3.515 N/A ARG 182.A N VAL 189.A O no hydrogen 2.555 N/A VAL 189.A N ARG 182.A O no hydrogen 2.903 N/A LEU 190.A N PHE 197.A O no hydrogen 2.729 N/A ASP 191.A N ASP 180.A O no hydrogen 2.888 N/A THR 192.A N GLY 195.A O no hydrogen 2.846 N/A THR 192.A OG1 GLY 195.A O no hydrogen 2.968 N/A THR 193.A N GLU 177.A O no hydrogen 3.031 N/A THR 193.A OG1 TYR 175.A O no hydrogen 3.542 N/A PHE 197.A N LEU 190.A O no hydrogen 3.009 N/A ALA 198.A N HIS 2.A O no hydrogen 2.811 N/A ALA 199.A N HIS 188.A O no hydrogen 3.032 N/A GLU 200.A N TYR 4.A O no hydrogen 3.139 N/A ALA 201.A N ASP 5.A O no hydrogen 2.823 N/A VAL 202.A N GLY 325.A O no hydrogen 2.747 N/A VAL 203.A N ALA 7.A O no hydrogen 2.755 N/A ILE 204.A N PHE 327.A O no hydrogen 2.711 N/A ALA 205.A N VAL 9.A O no hydrogen 2.712 N/A TRP 209.A N SER 206.A O no hydrogen 2.946 N/A ALA 210.A N GLY 207.A O no hydrogen 2.960 N/A ARG 212.A N TRP 209.A O no hydrogen 3.266 N/A GLY 214.A N ALA 210.A O no hydrogen 3.068 N/A ALA 215.A N ALA 211.A O no hydrogen 3.032 N/A ARG 216.A NH1 ASP 180.A OD2 no hydrogen 3.527 N/A VAL 217.A N GLY 214.A O no hydrogen 2.989 N/A GLY 218.A N ALA 215.A O no hydrogen 3.398 N/A LEU 219.A N GLY 214.A O no hydrogen 2.725 N/A SER 222.A N TYR 316.A OH no hydrogen 3.104 N/A SER 222.A OG TYR 316.A OH no hydrogen 2.955 N/A TYR 224.A N GLN 309.A O no hydrogen 2.827 N/A VAL 226.A N ARG 307.A O no hydrogen 2.935 N/A LYS 227.A N THR 267.A O no hydrogen 3.201 N/A LYS 227.A NZ ASP 272.A O no hydrogen 2.992 N/A LYS 227.A NZ ARG 274.A O no hydrogen 2.712 N/A GLY 228.A N GLY 305.A O no hydrogen 2.909 N/A GLU 229.A N THR 265.A OG1 no hydrogen 3.114 N/A CYS 230.A N TRP 303.A O no hydrogen 2.860 N/A CYS 230.A SG TYR 251.A OH no hydrogen 3.898 N/A VAL 231.A N ILE 262.A O no hydrogen 2.830 N/A MET 232.A N ALA 301.A O no hydrogen 2.908 N/A VAL 233.A N LEU 260.A O no hydrogen 2.895 N/A ARG 234.A N GLU 298.A O no hydrogen 2.870 N/A ARG 234.A NH1 GLY 257.A O no hydrogen 2.771 N/A ALA 235.A N ASN 258.A O no hydrogen 3.083 N/A GLN 241.A N GLU 133.A OE1 no hydrogen 3.372 N/A GLN 241.A N GLU 133.A OE2 no hydrogen 2.723 N/A THR 242.A N GLU 133.A OE2 no hydrogen 2.916 N/A THR 242.A OG1 LYS 92.A O no hydrogen 3.206 N/A THR 242.A OG1 THR 243.A O no hydrogen 3.273 N/A VAL 244.A N ILE 252.A O no hydrogen 3.085 N/A PHE 245.A N ILE 95.A O no hydrogen 2.950 N/A ALA 246.A N CYS 250.A O no hydrogen 3.035 N/A LYS 247.A N LEU 97.A O no hydrogen 3.315 N/A LYS 247.A NZ.A GLU 103.A O no hydrogen 3.426 N/A CYS 250.A SG TYR 251.A O no hydrogen 4.039 N/A TYR 251.A N GLY 263.A O no hydrogen 2.898 N/A ILE 252.A N VAL 244.A O no hydrogen 2.761 N/A VAL 253.A N LEU 261.A O no hydrogen 2.858 N/A LYS 255.A N ARG 259.A O no hydrogen 2.802 N/A LYS 255.A NZ ALA 46.A O no hydrogen 3.006 N/A LYS 255.A NZ GLN 151.A OE1 no hydrogen 2.757 N/A ASN 258.A ND2 ALA 235.A O no hydrogen 3.538 N/A ARG 259.A N LYS 255.A O no hydrogen 3.293 N/A ARG 259.A NE SER 256.A O no hydrogen 2.806 N/A ARG 259.A NH2 SER 256.A O no hydrogen 3.397 N/A ARG 259.A NH2 SER 256.A OG no hydrogen 3.200 N/A LEU 260.A N VAL 233.A O no hydrogen 2.726 N/A LEU 261.A N VAL 253.A O no hydrogen 2.835 N/A ILE 262.A N VAL 231.A O no hydrogen 2.709 N/A GLY 263.A N TYR 251.A O no hydrogen 3.455 N/A THR 265.A N GLU 229.A O no hydrogen 3.325 N/A THR 265.A OG1 GLU 229.A OE2 no hydrogen 2.647 N/A THR 267.A N LYS 227.A O no hydrogen 2.818 N/A GLY 269.A N PRO 225.A O no hydrogen 2.804 N/A ASP 272.A N THR 270.A OG1 no hydrogen 2.886 N/A ARG 273.A NE SER 304.A O no hydrogen 3.178 N/A ARG 273.A NE SER 304.A OG no hydrogen 3.280 N/A ARG 273.A NH2 SER 304.A O no hydrogen 3.014 N/A ARG 274.A N ASP 272.A OD1 no hydrogen 3.286 N/A SER 276.A N GLU 229.A OE1 no hydrogen 2.856 N/A GLY 279.A N SER 276.A OG no hydrogen 2.916 N/A VAL 280.A N SER 276.A O no hydrogen 3.183 N/A MET 281.A N ALA 277.A O no hydrogen 3.012 N/A ASN 282.A N GLY 278.A O no hydrogen 2.801 N/A LEU 283.A N GLY 279.A O no hydrogen 2.955 N/A LEU 284.A N VAL 280.A O no hydrogen 3.067 N/A HIS 285.A N MET 281.A O no hydrogen 3.063 N/A ARG 286.A N ASN 282.A O no hydrogen 2.833 N/A ALA 287.A N LEU 283.A O no hydrogen 2.909 N/A ALA 288.A N LEU 284.A O no hydrogen 2.808 N/A HIS 289.A N HIS 285.A O no hydrogen 3.022 N/A LEU 290.A N ARG 286.A O no hydrogen 3.297 N/A VAL 291.A N ALA 287.A O no hydrogen 2.789 N/A ILE 294.A N VAL 291.A O no hydrogen 3.156 N/A GLU 295.A N PRO 292.A O no hydrogen 3.143 N/A GLN 296.A N ASP 293.A O no hydrogen 3.119 N/A ALA 297.A N ILE 294.A O no hydrogen 3.095 N/A GLU 298.A N ARG 234.A O no hydrogen 2.597 N/A VAL 300.A N MET 232.A O no hydrogen 3.122 N/A ALA 301.A N MET 232.A O no hydrogen 3.422 N/A TRP 303.A N CYS 230.A O no hydrogen 3.150 N/A TRP 303.A NE1 ALA 44.A O no hydrogen 2.787 N/A SER 304.A OG ARG 273.A O no hydrogen 2.503 N/A GLY 305.A N GLY 228.A O no hydrogen 2.923 N/A ARG 307.A N VAL 226.A O no hydrogen 2.971 N/A ARG 307.A NE TYR 333.A O no hydrogen 2.897 N/A ARG 307.A NH2 TYR 333.A O no hydrogen 3.453 N/A GLN 309.A N TYR 224.A O no hydrogen 2.839 N/A THR 310.A N GLN 309.A OE1 no hydrogen 2.845 N/A THR 310.A OG1 ASP 312.A OD1 no hydrogen 3.526 N/A THR 310.A OG1 LEU 314.A O no hydrogen 2.544 N/A GLU 311.A N SER 222.A O no hydrogen 3.245 N/A GLU 311.A N SER 222.A OG no hydrogen 3.213 N/A GLY 313.A N THR 310.A O no hydrogen 3.250 N/A TYR 316.A N ALA 330.A O no hydrogen 2.683 N/A TYR 316.A OH SER 222.A OG no hydrogen 2.955 N/A LEU 317.A N PHE 363.A O no hydrogen 2.966 N/A GLY 318.A N VAL 328.A O no hydrogen 3.201 N/A HIS 320.A N LEU 326.A O no hydrogen 2.753 N/A HIS 320.A NE2 VAL 217.A O no hydrogen 2.529 N/A GLU 322.A N HIS 320.A ND1 no hydrogen 3.017 N/A ARG 323.A N HIS 320.A ND1 no hydrogen 3.296 N/A GLY 325.A N GLU 319.A OE2 no hydrogen 2.796 N/A LEU 326.A N ARG 323.A O no hydrogen 3.360 N/A PHE 327.A N VAL 202.A O no hydrogen 2.687 N/A VAL 328.A N GLY 318.A O no hydrogen 3.033 N/A ALA 329.A N ILE 204.A O no hydrogen 2.812 N/A ALA 330.A N TYR 316.A O no hydrogen 3.014 N/A LEU 339.A N ASN 335.A O no hydrogen 2.766 N/A SER 340.A OG ILE 337.A O no hydrogen 2.936 N/A THR 343.A N LEU 339.A O no hydrogen 2.940 N/A THR 343.A OG1 LEU 339.A O no hydrogen 3.107 N/A GLY 344.A N SER 340.A O no hydrogen 2.940 N/A LEU 345.A N PRO 341.A O no hydrogen 3.228 N/A LEU 346.A N LEU 342.A O no hydrogen 2.891 N/A LEU 346.A N THR 343.A O no hydrogen 3.004 N/A VAL 347.A N THR 343.A O no hydrogen 3.058 N/A ALA 348.A N GLY 344.A O no hydrogen 3.274 N/A ASP 349.A N LEU 345.A O no hydrogen 3.303 N/A LEU 350.A N LEU 346.A O no hydrogen 2.867 N/A VAL 351.A N VAL 347.A O no hydrogen 2.861 N/A GLU 352.A N ALA 348.A O no hydrogen 3.110 N/A ARG 353.A N LEU 350.A O no hydrogen 3.119 N/A LYS 354.A N ASP 349.A O no hydrogen 2.701 N/A THR 356.A OG1 PHE 358.A O no hydrogen 2.829 N/A ALA 361.A N ASP 359.A OD1 no hydrogen 3.234 N/A PHE 363.A N LEU 360.A O no hydrogen 3.084 N/A SER 364.A N ALA 361.A O no hydrogen 3.027 N/A THR 366.A N SER 364.A OG no hydrogen 3.391 N/A THR 366.A OG1 THR 366.A O no hydrogen 2.638 N/A ARG 367.A N SER 364.A O no hydrogen 3.449 N/A ARG 367.A NH1 PRO 315.A O no hydrogen 2.955 N/A ARG 367.A NH1 SER 364.A O no hydrogen 3.536 N/A ARG 367.A NH2 ASP 312.A OD1 no hydrogen 2.790 N/A