Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pwy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N LYS 319.A O no hydrogen 3.336 N/A ILE 2.A N LYS 319.A O no hydrogen 2.785 N/A ASP 3.A N VAL 69.A O no hydrogen 2.900 N/A ILE 4.A N LEU 287.A O no hydrogen 2.929 N/A HIS 5.A N ASP 3.A OD1 no hydrogen 3.158 N/A HIS 5.A ND1 ASP 264.A OD2 no hydrogen 2.973 N/A HIS 5.A NE2 HIS 7.A NE2 no hydrogen 3.159 N/A HIS 5.A NE2 HIS 173.A NE2 no hydrogen 3.086 N/A SER 6.A OG ALA 71.A O no hydrogen 3.064 N/A HIS 7.A N TYR 291.A O no hydrogen 2.763 N/A HIS 7.A ND1 THR 74.A O no hydrogen 3.099 N/A ILE 8.A N SER 73.A O no hydrogen 2.913 N/A LEU 9.A N CYS 52.A O no hydrogen 2.956 N/A TRP 13.A NE1 VAL 26.A O no hydrogen 2.813 N/A LYS 18.A N ASP 15.A OD1 no hydrogen 2.976 N/A ARG 19.A N ASP 15.A O no hydrogen 3.055 N/A ARG 19.A NE ASN 90.A OD1 no hydrogen 2.784 N/A ARG 19.A NH2 ASN 90.A OD1 no hydrogen 2.971 N/A PHE 20.A N LEU 16.A O no hydrogen 3.046 N/A GLY 21.A N LYS 17.A O no hydrogen 2.975 N/A TYR 22.A OH ASP 87.A OD2 no hydrogen 2.556 N/A GLY 24.A N ASP 41.A OD1 no hydrogen 3.272 N/A GLY 24.A N ASP 41.A OD2 no hydrogen 2.935 N/A GLN 27.A N LEU 39.A O no hydrogen 2.910 N/A GLN 29.A N LYS 37.A O no hydrogen 2.731 N/A GLN 29.A NE2.B HIS 30.A O no hydrogen 3.129 N/A HIS 30.A NE2 LYS 11.A O no hydrogen 2.965 N/A SER 32.A OG HIS 31.A ND1 no hydrogen 3.354 N/A ALA 36.A N VAL 48.A O no hydrogen 2.784 N/A LYS 37.A N GLN 29.A O no hydrogen 2.536 N/A LEU 38.A N ARG 46.A O no hydrogen 3.027 N/A LEU 39.A N GLN 27.A O no hydrogen 2.772 N/A LYS 40.A N LYS 43.A O no hydrogen 2.872 N/A LYS 43.A N LYS 40.A O no hydrogen 3.412 N/A LYS 43.A NZ VAL 44.A O no hydrogen 3.403 N/A PHE 45.A N LEU 38.A O no hydrogen 3.143 N/A VAL 48.A N ALA 36.A O no hydrogen 2.808 N/A ASN 51.A ND2 TYR 291.A OH no hydrogen 3.393 N/A CYS 52.A N ARG 49.A O no hydrogen 3.114 N/A TRP 53.A N GLU 50.A O no hydrogen 3.015 N/A ASP 54.A N GLU 50.A O no hydrogen 2.880 N/A GLU 56.A N ASP 54.A OD1 no hydrogen 3.077 N/A ARG 58.A N ASP 54.A O no hydrogen 3.231 N/A ARG 58.A NE GLN 70.A OE1 no hydrogen 3.009 N/A ARG 58.A NH1 HIS 7.A O no hydrogen 2.874 N/A ARG 58.A NH2 HIS 7.A O no hydrogen 2.951 N/A ARG 58.A NH2 GLN 70.A OE1 no hydrogen 3.204 N/A ILE 59.A N PRO 55.A O no hydrogen 2.886 N/A ARG 60.A N GLU 56.A O no hydrogen 3.152 N/A GLU 61.A N VAL 57.A O no hydrogen 3.060 N/A MET 62.A N ARG 58.A O no hydrogen 2.747 N/A ASP 63.A N ILE 59.A O no hydrogen 2.936 N/A GLN 64.A N ARG 60.A O no hydrogen 3.085 N/A LYS 65.A N GLU 61.A O no hydrogen 2.944 N/A LYS 65.A NZ LEU 298.A O no hydrogen 3.265 N/A GLY 66.A N ASP 63.A O no hydrogen 3.366 N/A VAL 67.A N MET 62.A O no hydrogen 2.821 N/A THR 68.A N LYS 1.A O no hydrogen 2.657 N/A VAL 69.A N LYS 1.A O no hydrogen 3.115 N/A GLN 70.A N ARG 109.A O no hydrogen 2.797 N/A ALA 71.A N ASP 3.A O no hydrogen 2.825 N/A LEU 72.A N VAL 111.A O no hydrogen 2.781 N/A SER 73.A N SER 6.A O no hydrogen 3.132 N/A SER 73.A OG SER 6.A O no hydrogen 3.065 N/A SER 73.A OG HIS 7.A ND1 no hydrogen 3.204 N/A SER 73.A OG THR 74.A O no hydrogen 3.523 N/A SER 73.A OG GLN 141.A OE1 no hydrogen 3.354 N/A MET 78.A N VAL 75.A O no hydrogen 2.748 N/A PHE 79.A N PRO 76.A O no hydrogen 2.925 N/A SER 80.A OG MET 78.A O no hydrogen 3.048 N/A ALA 83.A N SER 80.A O no hydrogen 3.301 N/A LYS 84.A N TYR 22.A OH no hydrogen 3.100 N/A ASP 87.A N LYS 84.A O no hydrogen 3.152 N/A THR 88.A N LYS 84.A O no hydrogen 2.926 N/A THR 88.A OG1 SER 80.A O no hydrogen 2.566 N/A THR 88.A OG1 LYS 84.A O no hydrogen 3.208 N/A LEU 89.A N PRO 85.A O no hydrogen 2.921 N/A ASN 90.A N GLU 86.A O no hydrogen 3.268 N/A LEU 91.A N ASP 87.A O no hydrogen 2.981 N/A CYS 92.A N THR 88.A O no hydrogen 2.849 N/A CYS 92.A SG THR 88.A O no hydrogen 3.173 N/A CYS 92.A SG THR 115.A O no hydrogen 3.405 N/A GLN 93.A N LEU 89.A O no hydrogen 2.954 N/A LEU 94.A N ASN 90.A O no hydrogen 3.264 N/A LEU 95.A N LEU 91.A O no hydrogen 2.879 N/A ASN 96.A N CYS 92.A O no hydrogen 2.783 N/A ASN 96.A ND2 THR 115.A O no hydrogen 3.120 N/A ASN 96.A ND2 GLU 127.A OE2 no hydrogen 2.653 N/A ASN 97.A N GLN 93.A O no hydrogen 3.031 N/A ASP 98.A N LEU 94.A O no hydrogen 3.202 N/A LEU 99.A N LEU 95.A O no hydrogen 2.846 N/A ALA 100.A N ASN 96.A O no hydrogen 2.729 N/A SER 101.A N ASN 97.A O no hydrogen 2.819 N/A SER 101.A OG ASN 97.A O no hydrogen 3.472 N/A SER 101.A OG ASP 98.A O no hydrogen 2.811 N/A THR 102.A N ASP 98.A O no hydrogen 3.243 N/A THR 102.A OG1 ASP 98.A O no hydrogen 3.329 N/A VAL 103.A N LEU 99.A O no hydrogen 3.261 N/A VAL 103.A N ALA 100.A O no hydrogen 3.211 N/A VAL 104.A N ALA 100.A O no hydrogen 3.199 N/A SER 105.A OG SER 101.A O no hydrogen 3.464 N/A TYR 106.A N VAL 103.A O no hydrogen 3.275 N/A TYR 106.A OH GLU 56.A OE1 no hydrogen 2.228 N/A ARG 108.A NH2 LYS 332.A O no hydrogen 3.071 N/A ARG 109.A N TYR 106.A O no hydrogen 3.131 N/A ARG 109.A NE THR 68.A O no hydrogen 2.769 N/A ARG 109.A NH1 ASP 63.A OD1 no hydrogen 3.001 N/A ARG 109.A NH2 ASP 63.A OD1 no hydrogen 3.004 N/A ARG 109.A NH2 VAL 67.A O no hydrogen 2.839 N/A VAL 111.A N GLN 70.A O no hydrogen 3.155 N/A LEU 113.A N LEU 72.A O no hydrogen 2.737 N/A GLY 114.A N GLY 139.A O no hydrogen 3.244 N/A THR 115.A N ASN 96.A OD1 no hydrogen 2.828 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.697 N/A GLN 119.A NE2 SER 80.A O no hydrogen 3.320 N/A GLN 119.A NE2 ALA 83.A O no hydrogen 2.857 N/A GLN 119.A NE2 THR 88.A OG1 no hydrogen 2.856 N/A ALA 120.A N PRO 117.A O no hydrogen 3.088 N/A ALA 124.A N ALA 120.A O no hydrogen 2.881 N/A VAL 125.A N PRO 121.A O no hydrogen 2.946 N/A LYS 126.A N GLU 122.A O no hydrogen 3.314 N/A LYS 126.A NZ GLU 127.A OE1 no hydrogen 2.830 N/A GLU 127.A N LEU 123.A O no hydrogen 2.917 N/A MET 128.A N ALA 124.A O no hydrogen 2.879 N/A GLU 129.A N VAL 125.A O no hydrogen 2.923 N/A ARG 130.A N LYS 126.A O no hydrogen 2.947 N/A ARG 130.A NH1 GLU 127.A OE1 no hydrogen 3.115 N/A CYS 131.A N GLU 127.A O no hydrogen 2.852 N/A CYS 131.A SG GLU 127.A O no hydrogen 3.327 N/A VAL 132.A N MET 128.A O no hydrogen 2.956 N/A LYS 133.A N GLU 129.A O no hydrogen 2.957 N/A GLU 134.A N ARG 130.A O no hydrogen 3.000 N/A LEU 135.A N ARG 130.A O no hydrogen 3.076 N/A PHE 137.A N CYS 131.A O no hydrogen 2.923 N/A VAL 140.A N SER 169.A O no hydrogen 3.000 N/A GLN 141.A N GLY 114.A O no hydrogen 2.860 N/A GLN 141.A NE2 THR 74.A O no hydrogen 3.010 N/A ILE 142.A N PHE 171.A O no hydrogen 2.970 N/A GLY 143.A N TYR 81.A OH no hydrogen 3.232 N/A THR 144.A OG1 GLU 197.A OE1 no hydrogen 2.663 N/A HIS 145.A NE2 ASP 176.A O no hydrogen 3.061 N/A VAL 146.A N TRP 149.A O no hydrogen 2.899 N/A ASN 147.A ND2 TYR 81.A O no hydrogen 3.249 N/A TRP 149.A N VAL 146.A O no hydrogen 2.868 N/A ALA 153.A N ASP 150.A O no hydrogen 3.017 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.623 N/A LEU 156.A N ALA 153.A O no hydrogen 3.152 N/A PHE 157.A N GLN 154.A O no hydrogen 3.210 N/A VAL 159.A N LEU 156.A O no hydrogen 2.903 N/A TYR 160.A N LEU 156.A O no hydrogen 3.288 N/A TYR 160.A OH LEU 151.A O no hydrogen 2.909 N/A ALA 161.A N PHE 157.A O no hydrogen 2.797 N/A ALA 162.A N PRO 158.A O no hydrogen 3.084 N/A ALA 163.A N VAL 159.A O no hydrogen 3.022 N/A GLU 164.A N TYR 160.A O no hydrogen 2.947 N/A ARG 165.A N ALA 161.A O no hydrogen 3.204 N/A ARG 165.A NH1 GLU 129.A OE1 no hydrogen 3.376 N/A ARG 165.A NH2 GLU 129.A OE2 no hydrogen 3.569 N/A LEU 166.A N ALA 162.A O no hydrogen 2.841 N/A CYS 168.A N ALA 163.A O no hydrogen 3.054 N/A CYS 168.A SG SER 169.A O no hydrogen 3.669 N/A SER 169.A N PRO 138.A O no hydrogen 3.108 N/A SER 169.A OG PRO 138.A O no hydrogen 3.411 N/A SER 169.A OG PHE 326.A O no hydrogen 2.833 N/A LEU 170.A N LYS 218.A O no hydrogen 2.785 N/A PHE 171.A N VAL 140.A O no hydrogen 2.971 N/A VAL 172.A N CYS 220.A O no hydrogen 2.693 N/A HIS 173.A N ILE 142.A O no hydrogen 2.714 N/A HIS 173.A ND1 PRO 174.A O no hydrogen 2.909 N/A GLN 178.A NE2 ASP 180.A O no hydrogen 3.053 N/A MET 183.A N ASP 180.A O no hydrogen 3.118 N/A ALA 184.A N GLY 181.A O no hydrogen 3.321 N/A LYS 185.A NZ ARG 182.A O no hydrogen 2.541 N/A LEU 188.A N LYS 185.A O no hydrogen 2.895 N/A TRP 190.A N TRP 187.A O no hydrogen 3.139 N/A LEU 191.A N TRP 187.A O no hydrogen 2.973 N/A VAL 192.A N LEU 188.A O no hydrogen 2.752 N/A GLY 193.A N LEU 188.A O no hydrogen 2.749 N/A MET 194.A N PRO 189.A O no hydrogen 2.721 N/A ALA 196.A N VAL 192.A O no hydrogen 3.224 N/A GLU 197.A N GLY 193.A O no hydrogen 2.861 N/A THR 198.A N MET 194.A O no hydrogen 3.143 N/A THR 198.A OG1 MET 194.A O no hydrogen 3.265 N/A THR 199.A N PRO 195.A O no hydrogen 3.032 N/A THR 199.A OG1 PRO 195.A O no hydrogen 2.760 N/A ILE 200.A N ALA 196.A O no hydrogen 2.980 N/A ALA 201.A N GLU 197.A O no hydrogen 3.223 N/A ILE 202.A N THR 198.A O no hydrogen 3.068 N/A CYS 203.A N THR 199.A O no hydrogen 3.212 N/A CYS 203.A SG THR 199.A O no hydrogen 3.338 N/A SER 204.A N ILE 200.A O no hydrogen 2.907 N/A SER 204.A OG ILE 200.A O no hydrogen 2.987 N/A MET 205.A N ALA 201.A O no hydrogen 3.125 N/A ILE 206.A N ILE 202.A O no hydrogen 3.018 N/A MET 207.A N CYS 203.A O no hydrogen 2.831 N/A GLY 208.A N SER 204.A O no hydrogen 2.734 N/A GLY 209.A N ILE 206.A O no hydrogen 3.027 N/A VAL 210.A N MET 205.A O no hydrogen 2.989 N/A LYS 213.A N GLY 209.A O no hydrogen 2.952 N/A PHE 214.A N VAL 210.A O no hydrogen 2.938 N/A LYS 216.A N GLU 164.A OE2 no hydrogen 2.791 N/A LEU 217.A N PHE 214.A O no hydrogen 3.099 N/A LYS 218.A NZ TYR 262.A OH no hydrogen 3.409 N/A CYS 220.A N LEU 170.A O no hydrogen 2.670 N/A CYS 220.A SG PHE 221.A O no hydrogen 3.649 N/A PHE 221.A N TYR 262.A O no hydrogen 2.771 N/A ALA 222.A N VAL 172.A O no hydrogen 3.206 N/A HIS 223.A N ASP 264.A OD2 no hydrogen 2.874 N/A HIS 223.A NE2 ASP 290.A OD2 no hydrogen 3.310 N/A GLY 224.A N ASP 264.A OD1 no hydrogen 2.547 N/A GLY 225.A N ALA 222.A O no hydrogen 3.109 N/A GLY 226.A N HIS 223.A O no hydrogen 3.080 N/A ALA 227.A N THR 199.A OG1 no hydrogen 2.891 N/A PHE 228.A N GLY 225.A O no hydrogen 3.250 N/A PHE 230.A N ALA 227.A O no hydrogen 3.074 N/A THR 231.A N ALA 227.A O no hydrogen 2.977 N/A THR 231.A OG1 ALA 227.A O no hydrogen 2.978 N/A ILE 235.A N THR 231.A O no hydrogen 2.946 N/A SER 236.A N VAL 232.A O no hydrogen 2.692 N/A SER 236.A OG ASN 253.A OD1 no hydrogen 2.905 N/A HIS 237.A N GLY 233.A O no hydrogen 2.912 N/A GLY 238.A N ARG 234.A O no hydrogen 2.871 N/A PHE 239.A N ILE 235.A O no hydrogen 3.067 N/A PHE 239.A N SER 236.A O no hydrogen 3.263 N/A SER 240.A N SER 236.A O no hydrogen 3.278 N/A SER 240.A OG SER 236.A O no hydrogen 3.500 N/A MET 241.A N HIS 237.A O no hydrogen 3.077 N/A ASP 244.A N ASP 244.A OD1 no hydrogen 2.536 N/A LEU 245.A N ARG 242.A O no hydrogen 3.262 N/A CYS 246.A N ARG 242.A O no hydrogen 3.308 N/A CYS 246.A SG GLY 238.A O no hydrogen 3.937 N/A CYS 246.A SG ARG 242.A O no hydrogen 3.630 N/A ALA 247.A N PRO 243.A O no hydrogen 3.064 N/A GLN 248.A NE2 PRO 243.A O no hydrogen 2.855 N/A ASN 253.A ND2 SER 236.A O no hydrogen 3.424 N/A LYS 255.A N ASN 253.A OD1 no hydrogen 2.797 N/A LYS 256.A N ASN 253.A O no hydrogen 3.060 N/A TYR 257.A N PRO 254.A O no hydrogen 3.036 N/A TYR 257.A OH GLU 212.A OE2 no hydrogen 2.598 N/A LEU 258.A N LYS 255.A O no hydrogen 3.096 N/A SER 260.A N TYR 257.A O no hydrogen 3.007 N/A SER 260.A OG TYR 257.A O no hydrogen 3.403 N/A TYR 262.A N VAL 219.A O no hydrogen 2.795 N/A THR 263.A N LYS 284.A O no hydrogen 3.100 N/A THR 263.A OG1 ASP 264.A O no hydrogen 3.085 N/A ASP 264.A N PHE 221.A O no hydrogen 2.992 N/A LEU 266.A N ASP 264.A OD1 no hydrogen 3.403 N/A VAL 267.A N ALA 265.A O no hydrogen 2.819 N/A ASP 269.A N VAL 267.A O no hydrogen 2.620 N/A LEU 273.A N ASP 269.A O no hydrogen 2.994 N/A LYS 274.A N PRO 270.A O no hydrogen 2.859 N/A LYS 274.A NZ ASP 278.A OD1 no hydrogen 2.995 N/A LYS 274.A NZ ASP 278.A OD2 no hydrogen 3.103 N/A LEU 275.A N LEU 271.A O no hydrogen 3.154 N/A LEU 276.A N SER 272.A O no hydrogen 2.893 N/A THR 277.A N LEU 273.A O no hydrogen 3.029 N/A THR 277.A OG1 LEU 273.A O no hydrogen 3.510 N/A THR 277.A OG1 LYS 274.A O no hydrogen 2.980 N/A ASP 278.A N LYS 274.A O no hydrogen 2.964 N/A VAL 279.A N LEU 275.A O no hydrogen 2.966 N/A ILE 280.A N LEU 276.A O no hydrogen 2.888 N/A LYS 284.A N GLY 281.A O no hydrogen 2.972 N/A ILE 286.A N THR 263.A O no hydrogen 2.917 N/A LEU 287.A N LEU 318.A O no hydrogen 2.998 N/A THR 289.A N HIS 5.A O no hydrogen 3.202 N/A ASP 290.A N HIS 5.A O no hydrogen 2.609 N/A PHE 293.A N ASP 290.A O no hydrogen 2.829 N/A GLY 296.A N PHE 293.A O no hydrogen 3.080 N/A GLU 297.A N THR 289.A O no hydrogen 3.018 N/A GLY 301.A N GLU 297.A OE1 no hydrogen 3.447 N/A LYS 302.A N GLU 299.A O no hydrogen 3.137 N/A LEU 303.A N GLU 297.A OE2 no hydrogen 3.321 N/A GLU 305.A N GLY 301.A O no hydrogen 2.790 N/A SER 306.A N LYS 302.A O no hydrogen 3.100 N/A SER 306.A N LEU 303.A O no hydrogen 3.180 N/A SER 306.A OG LYS 302.A O no hydrogen 3.365 N/A SER 306.A OG LEU 303.A O no hydrogen 2.708 N/A MET 307.A N ILE 304.A O no hydrogen 3.090 N/A GLU 308.A N GLU 308.A OE1 no hydrogen 2.725 N/A PHE 310.A N MET 307.A O no hydrogen 3.341 N/A THR 314.A N ASP 311.A OD1 no hydrogen 2.625 N/A THR 314.A OG1 ASP 311.A OD1 no hydrogen 2.618 N/A LYS 315.A N ASP 311.A O no hydrogen 3.099 N/A LYS 315.A NZ GLU 305.A O no hydrogen 3.060 N/A LYS 315.A NZ GLU 305.A OE1 no hydrogen 3.542 N/A LYS 315.A NZ MET 307.A O no hydrogen 3.415 N/A ASN 316.A N GLU 312.A O no hydrogen 3.105 N/A LYS 317.A N GLU 313.A O no hydrogen 3.231 N/A LYS 317.A NZ ASP 283.A OD2 no hydrogen 3.185 N/A LEU 318.A N THR 314.A O no hydrogen 3.020 N/A LYS 319.A N LYS 315.A O no hydrogen 2.817 N/A ALA 320.A N ASN 316.A O no hydrogen 3.058 N/A GLY 321.A N ASN 316.A O no hydrogen 2.968 N/A ASN 322.A N LYS 317.A O no hydrogen 2.687 N/A ASN 322.A ND2 LYS 282.A O no hydrogen 3.013 N/A ASN 322.A ND2 VAL 285.A O no hydrogen 2.624 N/A LEU 324.A N ALA 320.A O no hydrogen 3.149 N/A ALA 325.A N GLY 321.A O no hydrogen 3.191 N/A PHE 326.A N ASN 322.A O no hydrogen 2.902 N/A LEU 327.A N ALA 323.A O no hydrogen 2.796 N/A GLY 328.A N ALA 325.A O no hydrogen 3.332 N/A LEU 329.A N LEU 324.A O no hydrogen 3.013 N/A LYS 332.A N GLU 330.A O no hydrogen 2.672 N/A