Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5twl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 2.714 N/A ASP 4.A N GLY 1.A O no hydrogen 2.987 N/A TYR 5.A N SER 2.A O no hydrogen 3.224 N/A ASP 6.A N LYS 3.A O no hydrogen 3.352 N/A LEU 9.A N TYR 5.A O no hydrogen 2.872 N/A LYS 10.A N GLU 7.A O no hydrogen 3.286 N/A TYR 11.A N LEU 8.A O no hydrogen 2.965 N/A TYR 12.A N LEU 8.A O no hydrogen 3.209 N/A TYR 12.A OH HIS 75.A ND1 no hydrogen 2.853 N/A GLU 13.A N CYS 30.A O no hydrogen 2.915 N/A HIS 15.A N LEU 28.A O no hydrogen 2.671 N/A HIS 15.A ND1 GLU 13.A O no hydrogen 3.374 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.589 N/A ILE 18.A N VAL 26.A O no hydrogen 3.000 N/A LYS 25.A N ILE 42.A O no hydrogen 3.091 N/A VAL 26.A N GLY 19.A O no hydrogen 2.807 N/A LYS 27.A N ILE 40.A O no hydrogen 2.935 N/A LYS 27.A NZ THR 17.A OG1 no hydrogen 2.821 N/A LEU 28.A N GLU 16.A O no hydrogen 2.981 N/A ALA 29.A N VAL 38.A O no hydrogen 2.969 N/A CYS 30.A N GLU 13.A O no hydrogen 2.929 N/A CYS 30.A SG HIS 31.A O no hydrogen 3.762 N/A CYS 30.A SG GLY 35.A O no hydrogen 3.564 N/A HIS 31.A N GLU 36.A O no hydrogen 2.875 N/A HIS 31.A ND1 THR 34.A OG1 no hydrogen 2.854 N/A HIS 31.A NE2 HIS 298.A NE2 no hydrogen 3.126 N/A ILE 32.A N TYR 11.A O no hydrogen 2.986 N/A THR 34.A N HIS 31.A ND1 no hydrogen 3.220 N/A THR 34.A OG1 HIS 31.A ND1 no hydrogen 2.854 N/A GLY 35.A N HIS 31.A O no hydrogen 2.623 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.187 N/A VAL 38.A N ALA 29.A O no hydrogen 2.884 N/A ALA 39.A N LEU 87.A O no hydrogen 2.991 N/A ILE 40.A N LYS 27.A O no hydrogen 2.928 N/A LYS 41.A N MET 85.A O no hydrogen 2.652 N/A LYS 41.A NZ GLU 58.A OE2 no hydrogen 2.973 N/A ILE 42.A N LYS 25.A O no hydrogen 2.683 N/A MET 43.A N ILE 83.A O no hydrogen 3.069 N/A LYS 45.A N ASN 81.A O no hydrogen 2.754 N/A LYS 45.A NZ GLU 78.A OE1 no hydrogen 2.955 N/A LYS 45.A NZ THR 79.A O no hydrogen 2.723 N/A LYS 45.A NZ ALA 80.A O no hydrogen 3.144 N/A ASN 46.A N ASP 44.A OD2 no hydrogen 3.047 N/A THR 47.A N ASP 44.A O no hydrogen 3.021 N/A LEU 48.A N ASP 44.A O no hydrogen 2.859 N/A ASP 51.A N LEU 48.A O no hydrogen 3.002 N/A ILE 55.A N LEU 52.A O no hydrogen 3.044 N/A LYS 56.A N LEU 52.A O no hydrogen 3.392 N/A THR 57.A N PRO 53.A O no hydrogen 2.975 N/A THR 57.A OG1 PRO 53.A O no hydrogen 3.308 N/A GLU 58.A N ARG 54.A O no hydrogen 2.968 N/A ILE 59.A N ILE 55.A O no hydrogen 2.980 N/A GLU 60.A N LYS 56.A O no hydrogen 2.924 N/A ALA 61.A N THR 57.A O no hydrogen 3.028 N/A LEU 62.A N GLU 58.A O no hydrogen 2.825 N/A LYS 63.A N ILE 59.A O no hydrogen 2.870 N/A ASN 64.A N ALA 61.A O no hydrogen 2.931 N/A LEU 65.A N LEU 62.A O no hydrogen 3.372 N/A ARG 66.A N TYR 123.A OH no hydrogen 2.982 N/A ARG 66.A NH1 PRO 264.A O no hydrogen 3.085 N/A ARG 66.A NH2 TYR 296.A OH no hydrogen 3.045 N/A GLN 68.A N GLN 68.A OE1 no hydrogen 2.565 N/A GLN 68.A NE2 GLN 260.A O no hydrogen 3.167 N/A HIS 69.A ND1 LEU 147.A O no hydrogen 2.880 N/A ILE 70.A N HIS 67.A O no hydrogen 3.023 N/A CYS 71.A N LEU 149.A O no hydrogen 2.901 N/A CYS 71.A SG GLU 88.A O no hydrogen 3.460 N/A GLN 72.A N GLU 88.A OE1 no hydrogen 3.134 N/A GLN 72.A NE2 LEU 73.A O no hydrogen 2.858 N/A TYR 74.A N VAL 86.A O no hydrogen 2.801 N/A HIS 75.A ND1 TYR 12.A OH no hydrogen 2.853 N/A VAL 76.A N TYR 296.A O no hydrogen 2.889 N/A LEU 77.A N PHE 84.A O no hydrogen 2.892 N/A THR 79.A N LYS 82.A O no hydrogen 2.712 N/A THR 79.A OG1 ASP 4.A OD1 no hydrogen 2.447 N/A THR 79.A OG1 LYS 82.A O no hydrogen 3.357 N/A ASN 81.A N ASP 4.A OD1 no hydrogen 3.221 N/A ASN 81.A ND2 ASP 4.A OD2 no hydrogen 2.932 N/A LYS 82.A N THR 79.A OG1 no hydrogen 3.015 N/A LYS 82.A NZ ASP 44.A OD1 no hydrogen 2.805 N/A ILE 83.A N MET 43.A O no hydrogen 3.004 N/A PHE 84.A N LEU 77.A O no hydrogen 2.579 N/A MET 85.A N LYS 41.A O no hydrogen 2.918 N/A VAL 86.A N HIS 75.A O no hydrogen 2.805 N/A LEU 87.A N ALA 39.A O no hydrogen 2.563 N/A GLU 88.A N GLN 72.A O no hydrogen 2.897 N/A CYS 90.A SG GLU 88.A O no hydrogen 3.672 N/A GLY 92.A N PHE 141.A O no hydrogen 2.777 N/A LEU 95.A N LEU 139.A O no hydrogen 2.726 N/A PHE 96.A N PRO 136.A O no hydrogen 3.344 N/A TYR 98.A N GLU 94.A O no hydrogen 3.277 N/A ILE 99.A N LEU 95.A O no hydrogen 2.970 N/A ILE 100.A N PHE 96.A O no hydrogen 3.044 N/A SER 101.A N ASP 97.A O no hydrogen 2.941 N/A SER 101.A OG ASP 97.A O no hydrogen 3.018 N/A SER 101.A OG TYR 98.A O no hydrogen 3.135 N/A GLN 102.A N TYR 98.A O no hydrogen 3.209 N/A GLN 102.A N ILE 99.A O no hydrogen 3.190 N/A LEU 105.A N LEU 188.A O no hydrogen 2.819 N/A SER 106.A N GLU 109.A OE1 no hydrogen 3.027 N/A SER 106.A OG GLU 109.A OE1 no hydrogen 3.324 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 2.678 N/A GLU 109.A N SER 106.A OG no hydrogen 3.200 N/A THR 110.A N SER 106.A O no hydrogen 2.721 N/A THR 110.A OG1 SER 106.A O no hydrogen 2.766 N/A ARG 111.A N GLU 107.A O no hydrogen 2.955 N/A ARG 111.A NE TRP 248.A O no hydrogen 2.530 N/A ARG 111.A NH2 GLU 107.A OE1 no hydrogen 2.812 N/A ARG 111.A NH2 TRP 248.A O no hydrogen 3.017 N/A VAL 112.A N GLU 108.A O no hydrogen 3.250 N/A VAL 113.A N GLU 109.A O no hydrogen 3.334 N/A PHE 114.A N THR 110.A O no hydrogen 2.660 N/A ARG 115.A N ARG 111.A O no hydrogen 2.987 N/A ARG 115.A NH1 ILE 249.A O no hydrogen 3.179 N/A ARG 115.A NH1 TYR 255.A O no hydrogen 2.918 N/A ARG 115.A NH2 TYR 255.A O no hydrogen 3.024 N/A ARG 115.A NH2 PRO 256.A O no hydrogen 2.980 N/A ILE 117.A N VAL 113.A O no hydrogen 3.143 N/A VAL 118.A N PHE 114.A O no hydrogen 2.774 N/A SER 119.A N ARG 115.A O no hydrogen 2.987 N/A SER 119.A OG HIS 67.A NE2 no hydrogen 3.147 N/A SER 119.A OG GLU 258.A O no hydrogen 2.723 N/A ALA 120.A N GLN 116.A O no hydrogen 2.999 N/A VAL 121.A N ILE 117.A O no hydrogen 2.945 N/A ALA 122.A N VAL 118.A O no hydrogen 2.885 N/A TYR 123.A N SER 119.A O no hydrogen 3.147 N/A VAL 124.A N ALA 120.A O no hydrogen 2.949 N/A HIS 125.A N VAL 121.A O no hydrogen 2.953 N/A HIS 125.A NE2 ASP 177.A OD2 no hydrogen 2.701 N/A SER 126.A N ALA 122.A O no hydrogen 2.954 N/A SER 126.A OG TYR 123.A O no hydrogen 2.782 N/A GLN 127.A N TYR 123.A O no hydrogen 3.170 N/A GLN 127.A N VAL 124.A O no hydrogen 3.134 N/A GLN 127.A NE2 ASN 64.A O no hydrogen 3.099 N/A GLY 128.A N HIS 125.A O no hydrogen 3.088 N/A TYR 129.A N VAL 124.A O no hydrogen 3.102 N/A HIS 131.A N ASP 177.A OD2 no hydrogen 2.841 N/A HIS 131.A NE2 ILE 150.A O no hydrogen 2.864 N/A ARG 132.A N ASP 177.A OD1 no hydrogen 2.787 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.044 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.683 N/A ASN 138.A N LYS 135.A O no hydrogen 2.867 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.803 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.283 N/A LEU 139.A N PRO 136.A O no hydrogen 3.452 N/A LEU 140.A N LYS 148.A O no hydrogen 2.820 N/A PHE 141.A N GLY 93.A O no hydrogen 2.788 N/A ASP 142.A N LYS 146.A O no hydrogen 3.111 N/A TYR 144.A N ASP 142.A OD1 no hydrogen 2.768 N/A HIS 145.A N ASP 142.A O no hydrogen 3.306 N/A LYS 146.A N ASP 142.A OD1 no hydrogen 2.862 N/A LYS 148.A N LEU 140.A O no hydrogen 2.615 N/A LYS 148.A NZ GLN 68.A O no hydrogen 2.766 N/A LYS 148.A NZ GLU 88.A OE1 no hydrogen 3.463 N/A LYS 148.A NZ GLU 88.A OE2 no hydrogen 2.925 N/A LEU 149.A N HIS 69.A O no hydrogen 2.940 N/A ILE 150.A N ASN 138.A O no hydrogen 2.972 N/A CYS 155.A SG PHE 152.A O no hydrogen 3.395 N/A SER 157.A N ASP 133.A OD1 no hydrogen 3.272 N/A TYR 160.A N SER 157.A O no hydrogen 3.249 N/A ALA 161.A N LEU 158.A O no hydrogen 3.159 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.685 N/A LEU 165.A N ALA 162.A O no hydrogen 2.936 N/A ILE 166.A N ALA 162.A O no hydrogen 3.221 N/A GLN 167.A N PRO 163.A O no hydrogen 3.108 N/A GLY 168.A N LEU 165.A O no hydrogen 3.149 N/A ALA 176.A N LEU 172.A O no hydrogen 3.152 N/A ASP 177.A N GLY 173.A O no hydrogen 2.949 N/A VAL 178.A N SER 174.A O no hydrogen 3.177 N/A TRP 179.A N GLU 175.A O no hydrogen 3.322 N/A SER 180.A N ALA 176.A O no hydrogen 3.263 N/A SER 180.A OG TYR 160.A O no hydrogen 2.764 N/A SER 180.A OG ALA 176.A O no hydrogen 3.033 N/A MET 181.A N ASP 177.A O no hydrogen 2.922 N/A GLY 182.A N VAL 178.A O no hydrogen 2.951 N/A ILE 183.A N TRP 179.A O no hydrogen 2.916 N/A LEU 184.A N SER 180.A O no hydrogen 2.733 N/A LEU 185.A N MET 181.A O no hydrogen 2.821 N/A TYR 186.A N GLY 182.A O no hydrogen 3.063 N/A TYR 186.A OH ASP 213.A O no hydrogen 2.340 N/A VAL 187.A N ILE 183.A O no hydrogen 2.970 N/A LEU 188.A N LEU 184.A O no hydrogen 2.881 N/A MET 189.A N LEU 185.A O no hydrogen 3.340 N/A CYS 190.A N TYR 186.A O no hydrogen 2.923 N/A CYS 190.A SG TYR 186.A O no hydrogen 3.270 N/A GLY 191.A N VAL 187.A O no hydrogen 2.821 N/A ASN 199.A N ASP 197.A OD2 no hydrogen 3.019 N/A ALA 202.A N ASN 199.A OD1 no hydrogen 2.680 N/A LEU 203.A N ASN 199.A O no hydrogen 3.052 N/A TYR 204.A N VAL 200.A O no hydrogen 2.765 N/A LYS 205.A N MET 201.A O no hydrogen 3.141 N/A LYS 206.A N ALA 202.A O no hydrogen 2.985 N/A LYS 206.A NZ ASP 196.A O no hydrogen 3.091 N/A LYS 206.A NZ ASP 197.A OD1 no hydrogen 3.176 N/A ILE 207.A N LEU 203.A O no hydrogen 2.949 N/A MET 208.A N TYR 204.A O no hydrogen 3.134 N/A ARG 209.A N LYS 205.A O no hydrogen 2.861 N/A ARG 209.A NH1 LYS 211.A O no hydrogen 3.467 N/A GLY 210.A N LYS 206.A O no hydrogen 3.081 N/A TRP 217.A NE1 MET 189.A O no hydrogen 2.827 N/A LEU 218.A N PRO 215.A O no hydrogen 3.272 N/A SER 219.A OG GLU 107.A OE2 no hydrogen 2.841 N/A SER 219.A OG SER 222.A OG no hydrogen 2.825 N/A SER 222.A N SER 219.A OG no hydrogen 3.065 N/A SER 222.A OG SER 219.A OG no hydrogen 2.825 N/A ILE 223.A N SER 219.A O no hydrogen 3.123 N/A LEU 224.A N PRO 220.A O no hydrogen 3.292 N/A LEU 225.A N SER 221.A O no hydrogen 3.203 N/A LEU 226.A N SER 222.A O no hydrogen 3.092 N/A GLN 227.A N ILE 223.A O no hydrogen 3.017 N/A GLN 228.A N LEU 224.A O no hydrogen 2.934 N/A MET 229.A N LEU 225.A O no hydrogen 3.014 N/A MET 229.A N LEU 226.A O no hydrogen 3.061 N/A LEU 230.A N LEU 226.A O no hydrogen 2.650 N/A GLN 231.A NE2 GLN 227.A O no hydrogen 2.694 N/A LYS 235.A N ASP 233.A OD2 no hydrogen 3.046 N/A LYS 235.A NZ GLU 175.A OE1 no hydrogen 2.925 N/A LYS 236.A N ASP 233.A O no hydrogen 3.064 N/A ARG 237.A N PRO 234.A O no hydrogen 3.390 N/A ARG 237.A NE GLN 231.A O no hydrogen 2.676 N/A ARG 237.A NH1 GLU 164.A OE1 no hydrogen 3.536 N/A ARG 237.A NH1 GLU 164.A OE2 no hydrogen 2.744 N/A ARG 237.A NH1 GLU 175.A O no hydrogen 3.022 N/A ARG 237.A NH2 GLU 164.A OE1 no hydrogen 2.850 N/A ARG 237.A NH2 GLN 231.A O no hydrogen 3.048 N/A ILE 238.A N GLN 228.A O no hydrogen 2.914 N/A ASN 242.A N SER 239.A OG no hydrogen 3.195 N/A LEU 243.A N SER 239.A O no hydrogen 3.198 N/A LEU 243.A N MET 240.A O no hydrogen 3.054 N/A LEU 244.A N MET 240.A O no hydrogen 3.161 N/A LEU 244.A N LYS 241.A O no hydrogen 3.250 N/A HIS 246.A N LEU 243.A O no hydrogen 3.401 N/A HIS 246.A NE2 GLN 228.A OE1 no hydrogen 3.000 N/A TRP 248.A N HIS 246.A ND1 no hydrogen 3.145 N/A TRP 248.A NE1 SER 222.A OG no hydrogen 2.976 N/A MET 250.A N HIS 246.A O no hydrogen 3.028 N/A MET 250.A N PRO 247.A O no hydrogen 3.245 N/A GLN 251.A N TRP 248.A O no hydrogen 3.367 N/A GLN 251.A NE2 ASP 252.A OD1 no hydrogen 2.824 N/A TYR 253.A N MET 250.A O no hydrogen 2.928 N/A ASN 254.A N MET 250.A O no hydrogen 2.731 N/A VAL 257.A N LEU 244.A O no hydrogen 2.959 N/A SER 261.A OG ARG 66.A O no hydrogen 2.445 N/A SER 261.A OG ASN 263.A O no hydrogen 2.914 N/A LYS 262.A N GLN 68.A OE1 no hydrogen 3.269 N/A ASP 269.A N TYR 303.A OH no hydrogen 2.918 N/A CYS 272.A N ASP 269.A OD2 no hydrogen 2.873 N/A CYS 272.A SG ASP 269.A OD2 no hydrogen 3.472 N/A VAL 273.A N ASP 269.A O no hydrogen 2.886 N/A THR 274.A N ASP 270.A O no hydrogen 2.869 N/A THR 274.A OG1 ASP 270.A O no hydrogen 2.949 N/A GLU 275.A N ASP 271.A O no hydrogen 3.041 N/A LEU 276.A N CYS 272.A O no hydrogen 2.971 N/A SER 277.A N VAL 273.A O no hydrogen 2.994 N/A VAL 278.A N THR 274.A O no hydrogen 3.204 N/A HIS 280.A N SER 277.A O no hydrogen 3.514 N/A HIS 280.A ND1 LEU 276.A O no hydrogen 3.031 N/A ARG 284.A NH1 ASP 270.A O no hydrogen 3.307 N/A ARG 284.A NH2 ASP 270.A OD1 no hydrogen 2.881 N/A GLN 285.A NE2 ASP 289.A OD2 no hydrogen 3.214 N/A THR 286.A N ASN 283.A OD1 no hydrogen 3.384 N/A THR 286.A OG1 ASN 283.A OD1 no hydrogen 2.393 N/A MET 287.A N ASN 283.A O no hydrogen 3.103 N/A GLU 288.A N ARG 284.A O no hydrogen 2.728 N/A ASP 289.A N GLN 285.A O no hydrogen 3.064 N/A LEU 290.A N THR 286.A O no hydrogen 2.885 N/A ILE 291.A N MET 287.A O no hydrogen 3.131 N/A SER 292.A N GLU 288.A O no hydrogen 3.210 N/A SER 292.A OG GLU 288.A O no hydrogen 3.258 N/A LEU 293.A N LEU 290.A O no hydrogen 3.330 N/A TRP 294.A N ILE 291.A O no hydrogen 3.211 N/A TRP 294.A NE1 PHE 265.A O no hydrogen 2.999 N/A TYR 296.A OH LYS 63.A O no hydrogen 3.127 N/A HIS 298.A NE2 HIS 31.A NE2 no hydrogen 3.126 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 3.114 N/A THR 300.A N ASP 297.A OD1 no hydrogen 3.332 N/A THR 300.A OG1 TYR 74.A O no hydrogen 3.137 N/A ALA 301.A N ASP 297.A O no hydrogen 3.354 N/A THR 302.A N HIS 298.A O no hydrogen 2.900 N/A THR 302.A OG1 HIS 31.A NE2 no hydrogen 3.191 N/A THR 302.A OG1 HIS 298.A O no hydrogen 2.749 N/A TYR 303.A N LEU 299.A O no hydrogen 2.891 N/A LEU 304.A N THR 300.A O no hydrogen 3.004 N/A LEU 305.A N ALA 301.A O no hydrogen 2.983 N/A LEU 306.A N THR 302.A O no hydrogen 2.922 N/A LEU 307.A N TYR 303.A O no hydrogen 2.706 N/A ALA 308.A N LEU 304.A O no hydrogen 2.835 N/A LYS 309.A N LEU 305.A O no hydrogen 2.765 N/A LYS 309.A NZ THR 34.A O no hydrogen 3.170 N/A LYS 309.A NZ ARG 317.A O no hydrogen 2.751 N/A LYS 310.A N LEU 306.A O no hydrogen 2.947 N/A LYS 310.A NZ ASP 269.A OD1 no hydrogen 2.276 N/A ALA 311.A N LEU 307.A O no hydrogen 3.177 N/A ARG 312.A N ALA 308.A O no hydrogen 3.159 N/A GLY 313.A N LYS 310.A O no hydrogen 2.964 N/A ARG 317.A N PRO 315.A O no hydrogen 2.780 N/A LEU 318.A N GLU 275.A OE2 no hydrogen 3.088 N/A ARG 319.A N LEU 33.A O no hydrogen 2.292 N/A