Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1smy_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ILE 2.A O no hydrogen 3.065 N/A SER 5.A OG SER 3.A O no hydrogen 3.369 N/A VAL 8.A N THR 4.A O no hydrogen 2.880 N/A ARG 9.A N SER 5.A O no hydrogen 2.701 N/A GLN 10.A N ASP 6.A O no hydrogen 2.606 N/A TYR 11.A N PRO 7.A O no hydrogen 3.035 N/A LEU 12.A N VAL 8.A O no hydrogen 2.806 N/A HIS 13.A N ARG 9.A O no hydrogen 2.661 N/A GLU 14.A N GLN 10.A O no hydrogen 3.354 N/A ILE 15.A N TYR 11.A O no hydrogen 2.704 N/A GLY 16.A N LEU 12.A O no hydrogen 2.803 N/A VAL 18.A N GLU 14.A O no hydrogen 2.793 N/A GLU 26.A N LEU 21.A O no hydrogen 3.389 N/A VAL 27.A N LEU 23.A O no hydrogen 2.676 N/A GLU 28.A N GLU 24.A O no hydrogen 2.746 N/A LEU 29.A N GLU 25.A O no hydrogen 3.248 N/A ALA 30.A N GLU 26.A O no hydrogen 3.137 N/A ARG 31.A N VAL 27.A O no hydrogen 2.914 N/A LYS 32.A N GLU 28.A O no hydrogen 3.126 N/A VAL 33.A N LEU 29.A O no hydrogen 2.744 N/A VAL 33.A N ALA 30.A O no hydrogen 2.779 N/A GLU 34.A N ALA 30.A O no hydrogen 3.026 N/A GLU 35.A N ARG 31.A O no hydrogen 3.331 N/A GLY 36.A N LYS 32.A O no hydrogen 3.217 N/A MET 37.A N VAL 33.A O no hydrogen 3.181 N/A GLU 38.A N GLU 34.A O no hydrogen 2.885 N/A ALA 39.A N GLU 35.A O no hydrogen 2.733 N/A ILE 40.A N GLY 36.A O no hydrogen 2.808 N/A LYS 41.A N MET 37.A O no hydrogen 2.932 N/A LYS 42.A N GLU 38.A O no hydrogen 3.136 N/A LYS 42.A NZ TYR 100.A OH no hydrogen 2.593 N/A LEU 43.A N ALA 39.A O no hydrogen 2.690 N/A SER 44.A N ILE 40.A O no hydrogen 2.706 N/A SER 44.A OG LEU 49.A O no hydrogen 2.601 N/A GLU 45.A N LYS 41.A O no hydrogen 2.814 N/A ILE 46.A N LYS 42.A O no hydrogen 3.030 N/A THR 47.A N LEU 43.A O no hydrogen 2.734 N/A THR 47.A OG1 LEU 43.A O no hydrogen 2.744 N/A LEU 53.A N ASP 50.A O no hydrogen 2.732 N/A ILE 54.A N ASP 50.A O no hydrogen 2.767 N/A ARG 55.A N PRO 51.A O no hydrogen 2.879 N/A GLU 56.A N ASP 52.A O no hydrogen 3.139 N/A VAL 57.A N LEU 53.A O no hydrogen 3.118 N/A VAL 58.A N ILE 54.A O no hydrogen 3.202 N/A ARG 59.A N ARG 55.A O no hydrogen 3.185 N/A ARG 59.A NE GLU 108.A OE2 no hydrogen 2.749 N/A ALA 60.A N GLU 56.A O no hydrogen 2.997 N/A LYS 61.A N VAL 57.A O no hydrogen 3.287 N/A LYS 61.A NZ ASP 87.A OD1 no hydrogen 2.709 N/A ILE 62.A N VAL 58.A O no hydrogen 3.229 N/A ILE 62.A N ARG 59.A O no hydrogen 3.080 N/A LEU 63.A N ARG 59.A O no hydrogen 2.577 N/A GLY 64.A N ALA 60.A O no hydrogen 2.849 N/A VAL 68.A N SER 65.A O no hydrogen 2.949 N/A ARG 69.A N ALA 66.A O no hydrogen 3.297 N/A ARG 69.A NH1 GLY 73.A O no hydrogen 3.101 N/A HIS 70.A N ALA 66.A O no hydrogen 2.909 N/A ILE 71.A N ARG 67.A O no hydrogen 3.426 N/A GLU 76.A N LEU 74.A O no hydrogen 2.521 N/A LEU 78.A N THR 82.A OG1 no hydrogen 3.060 N/A GLU 84.A N PRO 80.A O no hydrogen 3.019 N/A GLU 85.A N LYS 81.A O no hydrogen 2.894 N/A ILE 86.A N THR 82.A O no hydrogen 3.170 N/A ASP 87.A N VAL 83.A O no hydrogen 2.955 N/A GLN 88.A N GLU 84.A O no hydrogen 2.871 N/A LYS 89.A N GLU 85.A O no hydrogen 3.354 N/A LYS 91.A N ASP 87.A O no hydrogen 3.243 N/A LYS 91.A N GLN 88.A O no hydrogen 2.671 N/A SER 92.A N GLN 88.A O no hydrogen 3.024 N/A SER 92.A OG LYS 89.A O no hydrogen 2.526 N/A LEU 93.A N LYS 89.A O no hydrogen 3.179 N/A LEU 93.A N LEU 90.A O no hydrogen 3.349 N/A LYS 98.A N PRO 94.A O no hydrogen 2.859 N/A ARG 99.A NE GLU 96.A O no hydrogen 3.163 N/A TYR 100.A N HIS 97.A O no hydrogen 2.978 N/A LEU 101.A N HIS 97.A O no hydrogen 3.458 N/A HIS 102.A N LYS 98.A O no hydrogen 3.254 N/A ILE 103.A N ARG 99.A O no hydrogen 3.006 N/A ALA 104.A N TYR 100.A O no hydrogen 2.622 N/A ARG 105.A N LEU 101.A O no hydrogen 3.125 N/A ARG 105.A NH2 ASP 87.A OD2 no hydrogen 3.395 N/A GLU 106.A N HIS 102.A O no hydrogen 3.350 N/A GLY 107.A N ILE 103.A O no hydrogen 2.782 N/A GLU 108.A N ALA 104.A O no hydrogen 2.859 N/A ALA 109.A N ARG 105.A O no hydrogen 2.931 N/A ALA 110.A N GLU 106.A O no hydrogen 2.824 N/A ARG 111.A N GLY 107.A O no hydrogen 2.833 N/A GLN 112.A N GLU 108.A O no hydrogen 3.349 N/A GLN 112.A NE2 GLU 108.A OE1 no hydrogen 3.217 N/A HIS 113.A N ALA 109.A O no hydrogen 3.290 N/A LEU 114.A N ALA 110.A O no hydrogen 3.063 N/A ILE 115.A N ARG 111.A O no hydrogen 3.065 N/A GLU 116.A N GLN 112.A O no hydrogen 2.938 N/A ALA 117.A N HIS 113.A O no hydrogen 3.256 N/A ASN 118.A N ILE 115.A O no hydrogen 3.160 N/A ASN 118.A ND2 LEU 114.A O no hydrogen 2.711 N/A LEU 119.A N GLU 116.A O no hydrogen 3.325 N/A VAL 123.A N LEU 119.A O no hydrogen 3.193 N/A SER 124.A N ARG 120.A O no hydrogen 2.877 N/A SER 124.A OG ARG 120.A O no hydrogen 3.304 N/A SER 124.A OG LEU 121.A O no hydrogen 2.630 N/A ILE 125.A N LEU 121.A O no hydrogen 3.219 N/A ALA 126.A N VAL 122.A O no hydrogen 2.695 N/A LYS 127.A N VAL 123.A O no hydrogen 2.843 N/A LYS 128.A N ILE 125.A O no hydrogen 2.722 N/A TYR 129.A N ALA 126.A O no hydrogen 3.095 N/A ARG 132.A N THR 130.A O no hydrogen 2.741 N/A LEU 139.A N SER 135.A O no hydrogen 2.770 N/A ILE 140.A N PHE 136.A O no hydrogen 2.995 N/A GLN 141.A N LEU 137.A O no hydrogen 3.056 N/A GLU 142.A N ASP 138.A O no hydrogen 2.958 N/A GLY 143.A N LEU 139.A O no hydrogen 3.030 N/A ASN 144.A N ILE 140.A O no hydrogen 2.587 N/A ASN 144.A ND2 GLN 141.A OE1 no hydrogen 3.057 N/A GLN 145.A N GLN 141.A O no hydrogen 2.810 N/A GLN 145.A NE2 GLN 145.A O no hydrogen 3.205 N/A GLY 146.A N GLU 142.A O no hydrogen 2.899 N/A LEU 147.A N GLY 143.A O no hydrogen 3.006 N/A ILE 148.A N ASN 144.A O no hydrogen 3.107 N/A ARG 149.A N GLN 145.A O no hydrogen 3.295 N/A ALA 150.A N GLY 146.A O no hydrogen 2.939 N/A VAL 151.A N LEU 147.A O no hydrogen 3.009 N/A GLU 152.A N ARG 149.A O no hydrogen 2.994 N/A LYS 153.A N ALA 150.A O no hydrogen 3.333 N/A LYS 153.A NZ GLU 152.A OE1 no hydrogen 3.309 N/A ARG 158.A N GLU 155.A O no hydrogen 2.981 N/A ALA 166.A N PHE 162.A O no hydrogen 2.812 N/A THR 167.A N SER 163.A O no hydrogen 3.347 N/A THR 167.A OG1 SER 163.A O no hydrogen 2.672 N/A THR 167.A OG1 THR 164.A O no hydrogen 3.075 N/A ILE 170.A N ALA 166.A O no hydrogen 2.711 N/A ARG 171.A N THR 167.A O no hydrogen 2.938 N/A GLN 172.A N TRP 168.A O no hydrogen 2.810 N/A ALA 173.A N TRP 169.A O no hydrogen 3.161 N/A ILE 174.A N ILE 170.A O no hydrogen 2.790 N/A ASN 175.A N ARG 171.A O no hydrogen 3.002 N/A ASN 175.A ND2 ARG 171.A O no hydrogen 2.911 N/A ARG 176.A N GLN 172.A O no hydrogen 3.014 N/A ALA 177.A N ALA 173.A O no hydrogen 3.130 N/A ILE 178.A N ILE 174.A O no hydrogen 2.856 N/A ALA 179.A N ASN 175.A O no hydrogen 2.917 N/A ASP 180.A N ARG 176.A O no hydrogen 2.865 N/A ASP 180.A N ALA 177.A O no hydrogen 2.636 N/A GLN 181.A N ALA 177.A O no hydrogen 2.798 N/A ARG 186.A NE ASP 180.A O no hydrogen 2.843 N/A ARG 186.A NH2 ASP 180.A O no hydrogen 3.439 N/A VAL 192.A N PRO 188.A O no hydrogen 3.114 N/A GLU 193.A N VAL 189.A O no hydrogen 3.052 N/A THR 194.A N HIS 190.A O no hydrogen 3.015 N/A THR 194.A OG1 HIS 190.A O no hydrogen 2.689 N/A ILE 195.A N MET 191.A O no hydrogen 3.042 N/A ASN 196.A N VAL 192.A O no hydrogen 2.996 N/A LYS 197.A N GLU 193.A O no hydrogen 2.740 N/A LYS 197.A NZ THR 194.A O no hydrogen 3.433 N/A LEU 198.A N THR 194.A O no hydrogen 2.794 N/A SER 199.A N ILE 195.A O no hydrogen 2.702 N/A ARG 200.A N ASN 196.A O no hydrogen 2.634 N/A THR 201.A N LYS 197.A O no hydrogen 2.813 N/A THR 201.A OG1 LYS 197.A O no hydrogen 2.740 N/A ALA 202.A N LEU 198.A O no hydrogen 2.856 N/A ARG 203.A N SER 199.A O no hydrogen 3.193 N/A ARG 203.A N ARG 200.A O no hydrogen 3.166 N/A GLN 204.A N ARG 200.A O no hydrogen 3.325 N/A LEU 205.A N THR 201.A O no hydrogen 2.917 N/A GLN 206.A N ARG 203.A O no hydrogen 2.903 N/A GLN 207.A N GLN 204.A O no hydrogen 3.117 N/A THR 214.A OG1 GLU 216.A OE1 no hydrogen 2.990 N/A ALA 219.A N TYR 215.A O no hydrogen 3.380 N/A GLU 220.A N GLU 216.A O no hydrogen 2.993 N/A ALA 221.A N GLU 217.A O no hydrogen 2.764 N/A MET 222.A N ILE 218.A O no hydrogen 3.051 N/A TRP 226.A N PRO 224.A O no hydrogen 2.918 N/A LYS 229.A N ASP 227.A OD2 no hydrogen 3.417 N/A ARG 230.A NH1 GLY 225.A O no hydrogen 3.373 N/A VAL 231.A N ASP 227.A O no hydrogen 2.987 N/A GLU 232.A N ALA 228.A O no hydrogen 2.987 N/A GLU 233.A N LYS 229.A O no hydrogen 3.115 N/A THR 234.A N ARG 230.A O no hydrogen 2.908 N/A THR 234.A OG1 ARG 230.A O no hydrogen 2.871 N/A THR 234.A OG1 VAL 231.A O no hydrogen 3.329 N/A LEU 235.A N VAL 231.A O no hydrogen 3.081 N/A LYS 236.A N GLU 232.A O no hydrogen 3.331 N/A ILE 237.A N THR 234.A O no hydrogen 2.714 N/A ALA 238.A N THR 234.A O no hydrogen 2.871 N/A GLN 239.A N LEU 235.A O no hydrogen 3.288 N/A SER 243.A OG GLU 245.A O no hydrogen 2.545 N/A GLU 245.A N SER 243.A OG no hydrogen 3.257 N/A THR 246.A OG1 SER 243.A O no hydrogen 2.465 N/A ILE 248.A N SER 254.A O no hydrogen 3.171 N/A TYR 256.A N THR 246.A O no hydrogen 3.346 N/A ASP 258.A N PHE 255.A O no hydrogen 3.028 N/A PHE 259.A N TYR 256.A O no hydrogen 3.020 N/A ILE 260.A N GLY 257.A O no hydrogen 2.927 N/A SER 267.A OG ASP 270.A OD2 no hydrogen 3.338 N/A ASP 270.A N SER 267.A O no hydrogen 2.750 N/A ALA 272.A N PRO 268.A O no hydrogen 2.897 N/A THR 273.A N VAL 269.A O no hydrogen 2.905 N/A THR 273.A OG1 VAL 269.A O no hydrogen 2.745 N/A GLN 274.A N ASP 270.A O no hydrogen 2.866 N/A SER 275.A N ALA 271.A O no hydrogen 3.255 N/A LEU 276.A N ALA 272.A O no hydrogen 3.334 N/A LEU 277.A N THR 273.A O no hydrogen 2.920 N/A SER 278.A N GLN 274.A O no hydrogen 2.917 N/A SER 278.A OG GLN 274.A O no hydrogen 2.707 N/A GLU 279.A N SER 275.A O no hydrogen 2.775 N/A GLU 280.A N LEU 276.A O no hydrogen 2.671 N/A LEU 281.A N LEU 277.A O no hydrogen 2.778 N/A GLU 282.A N SER 278.A O no hydrogen 2.789 N/A LYS 283.A N GLU 279.A O no hydrogen 3.040 N/A LYS 283.A NZ GLU 280.A OE1 no hydrogen 3.008 N/A LYS 283.A NZ GLU 280.A OE2 no hydrogen 3.430 N/A ALA 284.A N GLU 280.A O no hydrogen 3.076 N/A ALA 284.A N LEU 281.A O no hydrogen 3.054 N/A LEU 285.A N LEU 281.A O no hydrogen 2.811 N/A SER 286.A N GLU 282.A O no hydrogen 3.288 N/A SER 286.A OG GLU 282.A O no hydrogen 3.328 N/A SER 286.A OG LYS 283.A O no hydrogen 3.001 N/A ARG 291.A NH1 GLU 292.A OE1 no hydrogen 3.054 N/A ALA 293.A N GLU 290.A O no hydrogen 2.818 N/A MET 294.A N GLU 290.A O no hydrogen 2.705 N/A VAL 295.A N ARG 291.A O no hydrogen 3.427 N/A LYS 297.A N ALA 293.A O no hydrogen 3.059 N/A LEU 298.A N MET 294.A O no hydrogen 2.691 N/A ARG 299.A N VAL 295.A O no hydrogen 2.656 N/A LYS 300.A N LEU 296.A O no hydrogen 2.741 N/A GLY 301.A N LYS 297.A O no hydrogen 3.031 N/A LEU 302.A N LEU 298.A O no hydrogen 2.768 N/A ILE 303.A N LEU 298.A O no hydrogen 3.039 N/A ALA 310.A N GLU 307.A O no hydrogen 3.026 N/A ARG 318.A N THR 315.A O no hydrogen 3.361 N/A ARG 320.A N ARG 316.A O no hydrogen 2.877 N/A ARG 320.A NE GLU 317.A OE2 no hydrogen 3.038 N/A GLN 321.A N GLU 317.A O no hydrogen 3.283 N/A ILE 322.A N ARG 318.A O no hydrogen 3.225 N/A GLU 323.A N ILE 319.A O no hydrogen 2.663 N/A ASN 324.A N ARG 320.A O no hydrogen 3.085 N/A ASN 324.A ND2 ARG 320.A O no hydrogen 2.863 N/A LYS 325.A N GLN 321.A O no hydrogen 3.056 N/A ALA 326.A N ILE 322.A O no hydrogen 2.800 N/A LEU 327.A N GLU 323.A O no hydrogen 3.365 N/A ARG 328.A NH1 ASN 324.A O no hydrogen 2.817 N/A LYS 329.A N LYS 325.A O no hydrogen 3.043 N/A LEU 330.A N ALA 326.A O no hydrogen 2.653 N/A LYS 331.A N LEU 327.A O no hydrogen 2.813 N/A TYR 332.A N ARG 328.A O no hydrogen 2.950 N/A HIS 333.A N LYS 329.A O no hydrogen 3.268 N/A HIS 333.A ND1 LYS 329.A O no hydrogen 3.046 N/A GLU 334.A N LEU 330.A O no hydrogen 3.336 N/A SER 335.A N TYR 332.A O no hydrogen 2.948 N/A SER 335.A OG LYS 331.A O no hydrogen 2.701 N/A ARG 336.A N TYR 332.A O no hydrogen 3.047 N/A THR 337.A N HIS 333.A O no hydrogen 3.147 N/A ARG 338.A N ARG 336.A O no hydrogen 3.000 N/A LYS 339.A NZ GLU 334.A OE2 no hydrogen 3.116 N/A