Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ALA 80.A O no hydrogen 2.707 N/A LYS 3.A NZ GLY 40.A O no hydrogen 3.231 N/A LYS 3.A NZ ASP 45.A OD1 no hydrogen 3.365 N/A LYS 3.A NZ ASP 45.A OD2 no hydrogen 2.715 N/A VAL 5.A N ILE 78.A O no hydrogen 2.732 N/A LYS 6.A N GLU 39.A OE1 no hydrogen 3.063 N/A LYS 6.A NZ THR 77.A OG1 no hydrogen 3.132 N/A PHE 7.A N VAL 76.A O no hydrogen 3.124 N/A LYS 9.A N GLU 74.A O no hydrogen 3.016 N/A LYS 9.A NZ ASP 11.A O no hydrogen 3.359 N/A GLY 14.A N SER 12.A OG no hydrogen 2.834 N/A ARG 16.A N GLY 29.A O no hydrogen 3.158 N/A ARG 16.A NH2 ALA 28.A O no hydrogen 2.750 N/A ALA 18.A N PHE 26.A O no hydrogen 2.852 N/A GLY 20.A N GLY 24.A O no hydrogen 2.986 N/A ASN 21.A N ASP 97.A OD2 no hydrogen 3.073 N/A ASN 21.A ND2 SER 98.A O no hydrogen 2.921 N/A ASP 22.A N GLY 96.A O no hydrogen 3.130 N/A GLY 24.A N GLY 20.A O no hydrogen 2.739 N/A PHE 26.A N ALA 18.A O no hydrogen 2.762 N/A VAL 27.A N ASP 45.A O no hydrogen 2.788 N/A ALA 28.A N ARG 16.A O no hydrogen 2.818 N/A SER 34.A OG LEU 31.A O no hydrogen 3.014 N/A ALA 37.A N SER 34.A OG no hydrogen 3.181 N/A LYS 38.A N SER 34.A O no hydrogen 3.069 N/A GLU 39.A N PRO 35.A O no hydrogen 3.256 N/A GLU 39.A N ALA 36.A O no hydrogen 3.165 N/A GLY 40.A N ALA 37.A O no hydrogen 2.990 N/A LEU 41.A N ALA 36.A O no hydrogen 3.380 N/A GLU 42.A N ASP 45.A OD2 no hydrogen 3.280 N/A GLY 44.A N VAL 27.A O no hydrogen 2.951 N/A ASP 45.A N GLU 42.A O no hydrogen 3.182 N/A GLN 46.A N GLN 81.A O no hydrogen 2.721 N/A ILE 47.A N ILE 25.A O no hydrogen 2.952 N/A LEU 48.A N LEU 79.A O no hydrogen 2.850 N/A ARG 49.A N LEU 79.A O no hydrogen 3.102 N/A ARG 49.A NE ASN 52.A OD1 no hydrogen 3.520 N/A VAL 50.A N VAL 53.A O no hydrogen 3.150 N/A PHE 55.A N LEU 48.A O no hydrogen 3.028 N/A THR 56.A N ASP 54.A OD1 no hydrogen 2.845 N/A THR 56.A OG1 ASP 54.A OD1 no hydrogen 2.776 N/A THR 56.A OG1 ASP 54.A OD2 no hydrogen 3.510 N/A ARG 60.A N ASP 97.A OD2 no hydrogen 3.151 N/A ARG 60.A NE GLY 19.A O no hydrogen 2.815 N/A GLU 61.A N THR 128.A OG1 no hydrogen 3.028 N/A ALA 63.A N ILE 59.A O no hydrogen 3.059 N/A VAL 64.A N ARG 60.A O no hydrogen 2.777 N/A LEU 65.A N GLU 61.A O no hydrogen 2.882 N/A PHE 66.A N GLU 62.A O no hydrogen 2.870 N/A LEU 67.A N ALA 63.A O no hydrogen 3.119 N/A LEU 68.A N VAL 64.A O no hydrogen 2.989 N/A ASP 69.A N LEU 65.A O no hydrogen 2.938 N/A LEU 70.A N PHE 66.A O no hydrogen 3.332 N/A LYS 72.A NZ LEU 68.A O no hydrogen 3.375 N/A GLY 73.A N LYS 9.A O no hydrogen 2.667 N/A GLU 74.A N PRO 71.A O no hydrogen 3.407 N/A VAL 76.A N PHE 7.A O no hydrogen 2.794 N/A THR 77.A N ASN 51.A OD1 no hydrogen 3.237 N/A ILE 78.A N VAL 5.A O no hydrogen 2.747 N/A LEU 79.A N ARG 49.A O no hydrogen 2.776 N/A ALA 80.A N LYS 3.A O no hydrogen 2.741 N/A GLN 81.A N GLN 46.A O no hydrogen 3.059 N/A LYS 82.A N SER 1.A O no hydrogen 3.271 N/A LYS 82.A NZ GLU 42.A OE1 no hydrogen 2.895 N/A LYS 83.A N GLY 44.A O no hydrogen 3.253 N/A LYS 83.A NZ GLN 46.A OE1 no hydrogen 2.650 N/A LYS 83.A NZ GLN 81.A OE1 no hydrogen 2.976 N/A VAL 86.A N ASP 85.A OD1 no hydrogen 3.074 N/A TYR 87.A N LYS 83.A O no hydrogen 2.926 N/A TYR 87.A OH GLU 43.A OE2 no hydrogen 3.270 N/A ARG 88.A N LYS 84.A O no hydrogen 3.102 N/A ARG 89.A N ASP 85.A O no hydrogen 3.444 N/A ILE 90.A N VAL 86.A O no hydrogen 3.182 N/A VAL 91.A N TYR 87.A O no hydrogen 2.987 N/A GLU 92.A N ARG 88.A O no hydrogen 3.000 N/A SER 93.A N ARG 89.A O no hydrogen 2.843 N/A SER 93.A OG ARG 89.A O no hydrogen 2.647 N/A ASP 94.A N VAL 91.A O no hydrogen 3.006 N/A VAL 95.A N ILE 90.A O no hydrogen 3.219 N/A SER 98.A N ASN 21.A OD1 no hydrogen 2.765 N/A PHE 99.A N VAL 125.A O no hydrogen 3.146 N/A ILE 101.A N PHE 123.A O no hydrogen 2.848 N/A ARG 102.A N GLU 177.A O no hydrogen 2.640 N/A ARG 102.A NE GLU 177.A OE2 no hydrogen 3.236 N/A ARG 102.A NH1 TRP 332.A O no hydrogen 3.378 N/A ARG 102.A NH2 TRP 332.A O no hydrogen 2.662 N/A THR 103.A N GLU 121.A O no hydrogen 2.957 N/A THR 103.A OG1 ASN 118.A O no hydrogen 2.778 N/A HIS 104.A N ALA 175.A O no hydrogen 2.892 N/A HIS 104.A NE2 GLU 177.A OE2 no hydrogen 2.727 N/A GLU 106.A N GLN 167.A OE1 no hydrogen 3.162 N/A TYR 107.A N PHE 117.A O no hydrogen 2.861 N/A TYR 107.A OH GLU 110.A OE2 no hydrogen 2.596 N/A LYS 109.A N SER 116.A OG no hydrogen 2.855 N/A TYR 113.A N SER 111.A OG no hydrogen 3.085 N/A GLY 114.A N SER 111.A O no hydrogen 3.039 N/A LEU 115.A N ILE 153.A O no hydrogen 3.057 N/A PHE 117.A N TYR 107.A O no hydrogen 2.858 N/A ASN 118.A N GLU 121.A OE2 no hydrogen 2.643 N/A GLY 120.A N THR 103.A O no hydrogen 2.929 N/A PHE 123.A N ILE 101.A O no hydrogen 2.868 N/A ARG 124.A N ILE 140.A O no hydrogen 2.898 N/A ARG 124.A NE SER 98.A OG no hydrogen 3.152 N/A ARG 124.A NH2 SER 98.A OG no hydrogen 3.150 N/A VAL 125.A N PHE 99.A O no hydrogen 2.755 N/A VAL 126.A N LEU 138.A O no hydrogen 2.844 N/A THR 128.A N ASP 97.A OD1 no hydrogen 3.078 N/A THR 128.A OG1 ASP 97.A OD1 no hydrogen 2.779 N/A LEU 129.A N ASP 127.A OD1 no hydrogen 3.078 N/A TYR 130.A N SER 136.A O no hydrogen 2.937 N/A GLY 132.A N LEU 129.A O no hydrogen 2.958 N/A LYS 133.A N TYR 130.A O no hydrogen 3.216 N/A SER 136.A N LYS 133.A O no hydrogen 3.448 N/A TRP 137.A N ILE 154.A O no hydrogen 2.904 N/A LEU 138.A N ASP 127.A O no hydrogen 2.797 N/A ALA 139.A N GLY 152.A O no hydrogen 2.909 N/A ILE 140.A N ARG 124.A O no hydrogen 2.801 N/A ARG 141.A N GLU 150.A O no hydrogen 2.904 N/A ARG 141.A NH1 GLU 150.A OE2 no hydrogen 2.435 N/A ARG 141.A NH2 SER 116.A O no hydrogen 2.489 N/A ILE 142.A N VAL 122.A O no hydrogen 2.952 N/A GLY 143.A N LYS 147.A O no hydrogen 2.979 N/A LYS 144.A NZ THR 303.A O no hydrogen 3.474 N/A HIS 146.A N GLY 143.A O no hydrogen 3.226 N/A VAL 149.A N ARG 141.A O no hydrogen 2.778 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.676 N/A GLY 152.A N ALA 139.A O no hydrogen 2.938 N/A ILE 153.A N TYR 113.A O no hydrogen 2.865 N/A ILE 154.A N TRP 137.A O no hydrogen 2.834 N/A ASN 156.A N GLY 135.A O no hydrogen 3.113 N/A ASN 156.A ND2 GLU 61.A OE1 no hydrogen 2.930 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.153 N/A LYS 157.A NZ TYR 176.A O no hydrogen 3.143 N/A ARG 159.A N ASN 156.A OD1 no hydrogen 2.983 N/A ARG 159.A NH1 GLU 110.A OE1 no hydrogen 3.324 N/A ARG 159.A NH1 GLU 110.A OE2 no hydrogen 2.482 N/A ARG 159.A NH2 GLU 110.A OE1 no hydrogen 3.410 N/A ALA 160.A N ASN 156.A O no hydrogen 2.829 N/A GLU 161.A N LYS 157.A O no hydrogen 2.809 N/A GLN 162.A N ASN 158.A O no hydrogen 3.179 N/A LEU 163.A N ARG 159.A O no hydrogen 2.790 N/A ALA 164.A N ALA 160.A O no hydrogen 2.728 N/A SER 165.A N GLU 161.A O no hydrogen 2.926 N/A SER 165.A N GLN 162.A O no hydrogen 3.158 N/A SER 165.A OG GLN 162.A O no hydrogen 2.712 N/A VAL 166.A N GLN 162.A O no hydrogen 3.044 N/A GLN 167.A N LEU 163.A O no hydrogen 3.257 N/A GLN 167.A NE2 GLU 106.A O no hydrogen 3.054 N/A TYR 168.A N ALA 164.A O no hydrogen 3.400 N/A TYR 168.A OH THR 171.A OG1 no hydrogen 2.865 N/A THR 169.A N SER 165.A O no hydrogen 3.240 N/A THR 169.A OG1 SER 165.A O no hydrogen 3.141 N/A THR 171.A OG1 TYR 168.A OH no hydrogen 2.865 N/A ALA 175.A N GLU 161.A OE1 no hydrogen 3.321 N/A TYR 176.A OH PRO 155.A O no hydrogen 2.510 N/A GLU 177.A N ARG 102.A O no hydrogen 2.806 N/A VAL 179.A N TYR 100.A O no hydrogen 3.029 N/A VAL 180.A N VAL 333.A O no hydrogen 2.901 N/A ARG 182.A N VAL 331.A O no hydrogen 2.776 N/A ARG 182.A NE LEU 181.A O no hydrogen 3.041 N/A ARG 188.A N GLN 327.A OE1 no hydrogen 3.243 N/A ARG 188.A NE TYR 255.A O no hydrogen 2.721 N/A ARG 188.A NH2 TYR 255.A O no hydrogen 2.931 N/A VAL 190.A N ALA 237.A O no hydrogen 2.743 N/A THR 191.A N ILE 257.A O no hydrogen 2.988 N/A PHE 193.A N VAL 259.A O no hydrogen 2.903 N/A ALA 197.A N GLY 194.A O no hydrogen 3.084 N/A VAL 199.A N ASP 198.A OD1 no hydrogen 2.766 N/A ALA 200.A N ILE 196.A O no hydrogen 2.881 N/A ARG 201.A N ALA 197.A O no hydrogen 2.979 N/A GLU 202.A N ASP 198.A O no hydrogen 3.322 N/A LYS 203.A N VAL 199.A O no hydrogen 3.088 N/A LYS 203.A NZ GLU 207.A OE1 no hydrogen 3.253 N/A LEU 204.A N ALA 200.A O no hydrogen 3.026 N/A ALA 205.A N ARG 201.A O no hydrogen 2.739 N/A ARG 206.A N GLU 202.A O no hydrogen 3.083 N/A GLU 207.A N LYS 203.A O no hydrogen 2.838 N/A GLU 208.A N LEU 204.A O no hydrogen 3.144 N/A TYR 212.A N GLU 208.A O no hydrogen 3.228 N/A GLN 213.A N HIS 236.A O no hydrogen 3.128 N/A GLN 213.A NE2 GLN 233.A OE1 no hydrogen 3.611 N/A ALA 215.A N LEU 238.A O no hydrogen 3.321 N/A GLU 218.A N ILE 221.A O no hydrogen 2.952 N/A ILE 221.A N GLU 218.A O no hydrogen 3.286 N/A THR 226.A N ARG 223.A O no hydrogen 3.337 N/A THR 226.A OG1 ARG 223.A O no hydrogen 3.451 N/A LYS 228.A N LEU 224.A O no hydrogen 2.989 N/A GLN 229.A N HIS 225.A O no hydrogen 3.431 N/A ILE 231.A N ILE 227.A O no hydrogen 3.042 N/A ASP 232.A N LYS 228.A O no hydrogen 2.967 N/A ASP 234.A N ILE 231.A O no hydrogen 2.883 N/A LYS 235.A N ILE 230.A O no hydrogen 3.183 N/A LYS 235.A NZ ASP 210.A O no hydrogen 3.117 N/A HIS 236.A N ILE 211.A O no hydrogen 2.992 N/A HIS 236.A ND1 ARG 188.A O no hydrogen 2.844 N/A LEU 238.A N GLN 213.A O no hydrogen 2.756 N/A LEU 239.A N VAL 190.A O no hydrogen 2.827 N/A THR 242.A OG1 ASN 244.A OD1 no hydrogen 3.455 N/A ALA 245.A N THR 242.A O no hydrogen 2.962 N/A VAL 246.A N THR 242.A O no hydrogen 3.137 N/A ASP 247.A N PRO 243.A O no hydrogen 3.025 N/A ARG 248.A N ASN 244.A O no hydrogen 3.060 N/A LEU 249.A N ALA 245.A O no hydrogen 3.039 N/A ASN 250.A N VAL 246.A O no hydrogen 2.941 N/A TYR 251.A N ASP 247.A O no hydrogen 3.064 N/A ALA 252.A N ARG 248.A O no hydrogen 2.984 N/A GLN 253.A N ASN 250.A O no hydrogen 2.845 N/A GLN 253.A NE2 TYR 251.A O no hydrogen 2.787 N/A GLN 253.A NE2 TYR 255.A OH no hydrogen 3.006 N/A TRP 254.A N LEU 249.A O no hydrogen 2.856 N/A TYR 255.A OH GLN 253.A OE1 no hydrogen 3.119 N/A ILE 257.A N PRO 189.A O no hydrogen 2.768 N/A VAL 258.A N THR 303.A OG1 no hydrogen 2.895 N/A VAL 259.A N THR 191.A O no hydrogen 2.965 N/A PHE 260.A N THR 304.A O no hydrogen 2.938 N/A LEU 261.A N PHE 193.A O no hydrogen 2.850 N/A ASN 262.A N ILE 306.A O no hydrogen 2.856 N/A ASN 262.A ND2 ASN 307.A OD1 no hydrogen 2.815 N/A SER 265.A N ASP 264.A OD1 no hydrogen 2.976 N/A GLY 268.A N SER 265.A OG no hydrogen 3.085 N/A VAL 269.A N SER 265.A O no hydrogen 3.093 N/A VAL 269.A N LYS 266.A O no hydrogen 3.127 N/A LYS 270.A N LYS 266.A O no hydrogen 3.399 N/A THR 271.A N GLN 267.A O no hydrogen 3.243 N/A THR 271.A OG1 GLY 268.A O no hydrogen 3.248 N/A THR 271.A OG1 SER 310.A O no hydrogen 3.451 N/A MET 272.A N GLY 268.A O no hydrogen 3.060 N/A ARG 273.A N VAL 269.A O no hydrogen 2.784 N/A ARG 273.A NE PRO 195.A O no hydrogen 3.372 N/A ARG 273.A NH2 PRO 195.A O no hydrogen 3.232 N/A ARG 273.A NH2 ASP 198.A OD2 no hydrogen 2.786 N/A MET 274.A N LYS 270.A O no hydrogen 2.909 N/A ARG 275.A N THR 271.A O no hydrogen 3.114 N/A ARG 275.A NE ASP 313.A OD1 no hydrogen 3.220 N/A ARG 275.A NE ASP 313.A OD2 no hydrogen 3.020 N/A ARG 275.A NH1 SER 310.A O no hydrogen 2.824 N/A ARG 275.A NH2 SER 310.A O no hydrogen 3.071 N/A ARG 275.A NH2 ASP 313.A OD1 no hydrogen 2.585 N/A LEU 276.A N MET 272.A O no hydrogen 2.779 N/A CYS 277.A N ARG 273.A O no hydrogen 2.806 N/A CYS 277.A SG ARG 273.A O no hydrogen 3.511 N/A SER 280.A N CYS 277.A O no hydrogen 3.293 N/A LYS 282.A N SER 280.A OG no hydrogen 3.305 N/A LYS 282.A NZ ASP 198.A OD2 no hydrogen 3.097 N/A LYS 286.A N SER 283.A OG no hydrogen 3.386 N/A LEU 287.A N SER 283.A O no hydrogen 3.136 N/A TYR 288.A N ALA 284.A O no hydrogen 2.905 N/A GLU 289.A N ARG 285.A O no hydrogen 3.032 N/A ARG 290.A N LYS 286.A O no hydrogen 2.956 N/A SER 291.A N LEU 287.A O no hydrogen 3.045 N/A HIS 292.A N TYR 288.A O no hydrogen 3.031 N/A LYS 293.A N GLU 289.A O no hydrogen 2.938 N/A LEU 294.A N ARG 290.A O no hydrogen 2.839 N/A ARG 295.A N SER 291.A O no hydrogen 3.016 N/A LYS 296.A N HIS 292.A O no hydrogen 2.875 N/A ASN 297.A N LYS 293.A O no hydrogen 2.979 N/A ASN 297.A N LEU 294.A O no hydrogen 3.166 N/A ASN 298.A N LEU 294.A O no hydrogen 2.741 N/A LEU 301.A N ASN 298.A O no hydrogen 3.069 N/A PHE 302.A N HIS 299.A O no hydrogen 3.032 N/A THR 303.A N VAL 258.A O no hydrogen 2.794 N/A THR 303.A OG1 VAL 258.A O no hydrogen 3.026 N/A THR 304.A N VAL 258.A O no hydrogen 3.266 N/A ILE 306.A N PHE 260.A O no hydrogen 2.909 N/A LEU 308.A N ASN 262.A O no hydrogen 2.849 N/A SER 310.A N ASP 264.A OD2 no hydrogen 2.912 N/A SER 310.A OG ASP 264.A OD2 no hydrogen 3.480 N/A MET 311.A N ASN 309.A OD1 no hydrogen 2.797 N/A ASN 312.A N ASN 309.A O no hydrogen 2.925 N/A GLY 314.A N ASN 312.A OD1 no hydrogen 3.220 N/A TRP 315.A NE1 ASP 313.A OD1 no hydrogen 3.134 N/A TYR 316.A N ASP 313.A O no hydrogen 3.350 N/A ALA 318.A N GLY 314.A O no hydrogen 3.183 N/A LEU 319.A N TRP 315.A O no hydrogen 2.669 N/A LYS 320.A N TYR 316.A O no hydrogen 2.989 N/A LYS 320.A NZ GLU 208.A OE2 no hydrogen 3.227 N/A GLU 321.A N GLY 317.A O no hydrogen 3.080 N/A ALA 322.A N ALA 318.A O no hydrogen 2.752 N/A ILE 323.A N LEU 319.A O no hydrogen 2.841 N/A GLN 324.A N LYS 320.A O no hydrogen 3.206 N/A GLN 325.A N GLU 321.A O no hydrogen 3.002 N/A GLN 325.A NE2 GLN 326.A OE1 no hydrogen 3.277 N/A GLN 326.A N ALA 322.A O no hydrogen 2.966 N/A GLN 327.A N ILE 323.A O no hydrogen 3.186 N/A GLN 327.A NE2 PHE 186.A O no hydrogen 2.808 N/A ASN 328.A N GLN 324.A O no hydrogen 3.057 N/A ASN 328.A ND2 GLN 324.A O no hydrogen 2.731 N/A GLN 329.A N GLN 326.A O no hydrogen 2.731 N/A GLN 329.A NE2 GLN 325.A O no hydrogen 3.542 N/A VAL 331.A N ARG 182.A O no hydrogen 2.719 N/A VAL 333.A N VAL 180.A O no hydrogen 2.983 N/A SER 334.A N GLN 253.A OE1 no hydrogen 3.095 N/A SER 334.A OG GLU 177.A OE1 no hydrogen 2.559 N/A SER 334.A OG GLN 253.A OE1 no hydrogen 3.278 N/A