Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dxr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TYR 1.A O no hydrogen 2.885 N/A ARG 3.A NE THR 29.A OG1 no hydrogen 3.421 N/A VAL 4.A N ASN 27.A O no hydrogen 3.141 N/A VAL 5.A N ASP 49.A OD2 no hydrogen 2.544 N/A TRP 6.A N THR 29.A O no hydrogen 2.559 N/A CYS 7.A N ALA 50.A O no hydrogen 3.187 N/A CYS 7.A SG ALA 31.A O no hydrogen 3.881 N/A ALA 8.A N ALA 31.A O no hydrogen 2.845 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.846 N/A GLY 10.A N ALA 33.A O no hydrogen 2.937 N/A GLN 14.A N GLY 10.A O no hydrogen 3.098 N/A LYS 15.A N PRO 11.A O no hydrogen 3.234 N/A LYS 16.A N GLU 12.A O no hydrogen 3.385 N/A LYS 16.A NZ LEU 290.A O no hydrogen 2.610 N/A LYS 16.A NZ LYS 292.A O no hydrogen 3.276 N/A LYS 16.A NZ LEU 298.A O no hydrogen 2.894 N/A CYS 17.A N GLU 13.A O no hydrogen 3.093 N/A CYS 17.A N GLN 14.A O no hydrogen 3.194 N/A GLN 18.A N GLN 14.A O no hydrogen 2.927 N/A GLN 19.A N LYS 15.A O no hydrogen 3.184 N/A TRP 20.A N LYS 16.A O no hydrogen 3.020 N/A TRP 20.A NE1 GLN 273.A OE1 no hydrogen 2.741 N/A SER 21.A N CYS 17.A O no hydrogen 2.737 N/A SER 21.A OG VAL 28.A O no hydrogen 2.975 N/A GLN 22.A N GLN 18.A O no hydrogen 2.870 N/A GLN 23.A N GLN 19.A O no hydrogen 3.131 N/A SER 24.A N SER 21.A O no hydrogen 3.251 N/A SER 24.A OG TRP 20.A O no hydrogen 3.247 N/A SER 24.A OG SER 21.A O no hydrogen 2.734 N/A GLY 25.A N GLN 22.A O no hydrogen 3.170 N/A GLN 26.A N SER 21.A O no hydrogen 3.275 N/A ASN 27.A N SER 24.A O no hydrogen 3.325 N/A VAL 28.A N SER 24.A OG no hydrogen 3.396 N/A THR 29.A N VAL 4.A O no hydrogen 2.830 N/A ALA 31.A N TRP 6.A O no hydrogen 2.814 N/A ALA 33.A N ALA 8.A O no hydrogen 3.066 N/A ASP 38.A N THR 35.A OG1 no hydrogen 3.417 N/A CYS 39.A N THR 35.A O no hydrogen 3.110 N/A ILE 40.A N THR 36.A O no hydrogen 3.037 N/A VAL 41.A N ASP 37.A O no hydrogen 3.015 N/A LEU 42.A N ASP 38.A O no hydrogen 2.937 N/A VAL 43.A N CYS 39.A O no hydrogen 3.101 N/A LEU 44.A N ILE 40.A O no hydrogen 2.997 N/A LYS 45.A N VAL 41.A O no hydrogen 2.952 N/A LYS 45.A NZ GLU 47.A OE1 no hydrogen 3.147 N/A LYS 45.A NZ GLU 47.A OE2 no hydrogen 3.410 N/A GLY 46.A N LEU 42.A O no hydrogen 3.063 N/A GLU 47.A N LEU 42.A O no hydrogen 3.027 N/A ASP 49.A N VAL 5.A O no hydrogen 2.592 N/A ASN 52.A ND2 GLU 72.A OE2 no hydrogen 2.751 N/A ASN 52.A ND2 LEU 299.A O no hydrogen 3.490 N/A LEU 53.A N ALA 255.A O no hydrogen 2.606 N/A GLY 56.A N ASP 54.A OD2 no hydrogen 2.804 N/A TYR 57.A N ASP 54.A O no hydrogen 2.992 N/A ILE 58.A N ASP 54.A O no hydrogen 3.250 N/A TYR 59.A N GLY 55.A O no hydrogen 3.152 N/A ALA 61.A N TYR 57.A O no hydrogen 2.711 N/A GLY 62.A N ILE 58.A O no hydrogen 2.738 N/A LYS 63.A N TYR 59.A O no hydrogen 3.243 N/A CYS 64.A N ALA 61.A O no hydrogen 3.011 N/A CYS 64.A SG THR 60.A O no hydrogen 3.759 N/A GLY 65.A N GLY 62.A O no hydrogen 2.866 N/A LEU 66.A N ALA 61.A O no hydrogen 3.167 N/A VAL 67.A N SER 258.A O no hydrogen 2.736 N/A VAL 69.A N VAL 256.A O no hydrogen 2.814 N/A ALA 71.A N ALA 308.A O no hydrogen 2.956 N/A GLU 72.A N HIS 254.A O no hydrogen 2.980 N/A ASN 73.A N CYS 306.A O no hydrogen 2.796 N/A ARG 74.A NH1 GLY 91.A O no hydrogen 2.987 N/A ARG 74.A NH2 GLY 91.A O no hydrogen 2.776 N/A SER 76.A OG LYS 78.A O no hydrogen 2.615 N/A SER 76.A OG GLU 90.A OE2 no hydrogen 3.186 N/A LEU 86.A N ASP 83.A O no hydrogen 3.013 N/A ARG 87.A N ASP 83.A O no hydrogen 2.889 N/A ARG 87.A NH1 GLU 305.A OE1 no hydrogen 3.073 N/A ARG 87.A NH2 GLU 305.A OE1 no hydrogen 2.875 N/A ARG 87.A NH2 GLU 305.A OE2 no hydrogen 3.332 N/A TYR 92.A N ALA 251.A O no hydrogen 2.808 N/A TYR 92.A OH HIS 254.A NE2 no hydrogen 3.375 N/A ALA 94.A N ALA 249.A O no hydrogen 2.793 N/A VAL 95.A N VAL 202.A O no hydrogen 2.886 N/A VAL 97.A N ALA 200.A O no hydrogen 2.673 N/A VAL 98.A N ARG 229.A O no hydrogen 3.020 N/A LYS 99.A NZ LEU 192.A O no hydrogen 3.561 N/A LYS 99.A NZ ALA 193.A O no hydrogen 3.404 N/A LYS 99.A NZ ASP 195.A OD1 no hydrogen 2.598 N/A LYS 100.A N ASP 227.A O no hydrogen 2.956 N/A ASN 102.A N LYS 99.A O no hydrogen 2.983 N/A ASN 102.A ND2 ASP 198.A OD1 no hydrogen 3.356 N/A GLU 103.A N ALA 101.A O no hydrogen 2.839 N/A THR 106.A N SER 109.A OG no hydrogen 3.128 N/A TRP 107.A NE1 GLN 136.A OE1 no hydrogen 2.693 N/A ASN 108.A N THR 106.A OG1 no hydrogen 3.128 N/A SER 109.A N THR 106.A O no hydrogen 3.095 N/A SER 109.A OG GLY 104.A O no hydrogen 3.389 N/A SER 109.A OG THR 106.A O no hydrogen 3.441 N/A LYS 111.A NZ ASP 112.A OD2 no hydrogen 2.747 N/A LYS 111.A NZ GLU 144.A O no hydrogen 3.415 N/A LYS 111.A NZ PHE 145.A O no hydrogen 3.395 N/A ASP 112.A N PHE 145.A O no hydrogen 2.937 N/A LYS 113.A N LEU 110.A O no hydrogen 3.112 N/A LYS 113.A NZ SER 109.A O no hydrogen 3.168 N/A LYS 113.A NZ LYS 111.A O no hydrogen 3.399 N/A LYS 114.A N ASP 198.A OD2 no hydrogen 2.944 N/A LYS 114.A NZ VAL 196.A O no hydrogen 3.542 N/A SER 115.A N GLN 148.A O no hydrogen 3.140 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.786 N/A CYS 116.A N VAL 199.A O no hydrogen 2.751 N/A HIS 117.A N CYS 150.A O no hydrogen 2.979 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.900 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.786 N/A VAL 120.A N PRO 152.A O no hydrogen 2.595 N/A ARG 122.A N ALA 119.A O no hydrogen 3.477 N/A THR 123.A N ASP 54.A OD2 no hydrogen 3.074 N/A THR 123.A OG1 ASP 54.A OD1 no hydrogen 3.183 N/A THR 123.A OG1 ASP 54.A OD2 no hydrogen 3.463 N/A THR 123.A OG1 TYR 324.A OH no hydrogen 2.657 N/A TRP 126.A N ARG 122.A O no hydrogen 2.982 N/A ASN 127.A N ARG 122.A O no hydrogen 2.888 N/A ASN 127.A ND2 ASP 121.A O no hydrogen 3.600 N/A ASN 127.A ND2 TYR 324.A OH no hydrogen 3.163 N/A ILE 128.A N THR 123.A O no hydrogen 2.818 N/A MET 130.A N TRP 126.A O no hydrogen 2.790 N/A GLY 131.A N ASN 127.A O no hydrogen 2.935 N/A LEU 132.A N ILE 128.A O no hydrogen 3.106 N/A ILE 133.A N PRO 129.A O no hydrogen 2.994 N/A VAL 134.A N MET 130.A O no hydrogen 2.976 N/A ASN 135.A N GLY 131.A O no hydrogen 3.260 N/A GLN 136.A N LEU 132.A O no hydrogen 2.875 N/A THR 137.A N ILE 133.A O no hydrogen 2.977 N/A ALA 141.A N SER 139.A OG no hydrogen 2.999 N/A GLU 144.A N ALA 141.A O no hydrogen 2.913 N/A SER 147.A N LYS 113.A O no hydrogen 3.158 N/A SER 147.A OG ASP 112.A O no hydrogen 3.415 N/A SER 149.A N ARG 159.A O no hydrogen 3.127 N/A SER 149.A OG SER 115.A OG no hydrogen 2.566 N/A CYS 150.A N SER 115.A O no hydrogen 2.988 N/A GLY 153.A N CYS 174.A O no hydrogen 3.111 N/A ALA 154.A N ALA 151.A O no hydrogen 3.022 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 3.087 N/A LYS 157.A NZ ASP 155.A OD1 no hydrogen 2.796 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 3.060 N/A SER 158.A N ASP 155.A O no hydrogen 2.624 N/A SER 158.A OG ASP 155.A O no hydrogen 2.462 N/A ARG 159.A NE ASP 143.A O no hydrogen 3.096 N/A ARG 159.A NH2 PHE 146.A O no hydrogen 3.309 N/A CYS 161.A N SER 158.A O no hydrogen 3.141 N/A CYS 161.A SG ALA 154.A O no hydrogen 3.203 N/A ALA 162.A N ARG 159.A O no hydrogen 3.080 N/A LEU 163.A N SER 149.A O no hydrogen 2.913 N/A CYS 164.A N CYS 161.A O no hydrogen 3.077 N/A ALA 165.A N GLU 180.A OE2 no hydrogen 2.956 N/A GLY 166.A N GLU 180.A OE1 no hydrogen 2.875 N/A ASP 167.A N LEU 171.A O no hydrogen 2.945 N/A GLN 169.A NE2 ASP 167.A OD2 no hydrogen 3.148 N/A GLY 170.A N ASP 167.A O no hydrogen 2.854 N/A LEU 171.A N ASP 167.A OD1 no hydrogen 2.772 N/A CYS 174.A N GLU 180.A OE1 no hydrogen 2.922 N/A CYS 174.A SG ALA 151.A O no hydrogen 3.660 N/A VAL 175.A N ASP 172.A O no hydrogen 2.809 N/A ASN 177.A ND2 SER 34.A O no hydrogen 2.944 N/A SER 178.A OG GLU 12.A OE1 no hydrogen 2.772 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.814 N/A LYS 179.A NZ ASP 167.A OD2 no hydrogen 3.338 N/A GLU 180.A N ASN 177.A O no hydrogen 2.956 N/A LYS 181.A N GLY 166.A O no hydrogen 3.303 N/A TYR 182.A N GLU 180.A OE2 no hydrogen 2.830 N/A TYR 182.A OH GLU 194.A OE1 no hydrogen 2.526 N/A TYR 183.A N GLU 180.A O no hydrogen 3.192 N/A GLY 184.A N THR 118.A O no hydrogen 2.884 N/A TYR 185.A OH HIS 254.A NE2 no hydrogen 2.892 N/A THR 186.A OG1 THR 295.A O no hydrogen 3.130 N/A GLY 187.A N TYR 183.A O no hydrogen 3.061 N/A ALA 188.A N GLY 184.A O no hydrogen 2.856 N/A PHE 189.A N TYR 185.A O no hydrogen 3.136 N/A ARG 190.A N THR 186.A O no hydrogen 2.823 N/A ARG 190.A NE GLU 194.A OE2 no hydrogen 2.973 N/A ARG 190.A NH2 GLU 194.A OE2 no hydrogen 3.504 N/A CYS 191.A N GLY 187.A O no hydrogen 3.004 N/A LEU 192.A N PHE 189.A O no hydrogen 3.044 N/A ALA 193.A N PHE 189.A O no hydrogen 2.749 N/A GLU 194.A N ARG 190.A O no hydrogen 2.818 N/A ASP 195.A N LEU 192.A O no hydrogen 2.877 N/A GLY 197.A N CYS 191.A O no hydrogen 2.988 N/A ASP 198.A N LYS 114.A O no hydrogen 2.536 N/A VAL 199.A N LYS 114.A O no hydrogen 3.068 N/A ALA 200.A N VAL 97.A O no hydrogen 2.924 N/A PHE 201.A N CYS 116.A O no hydrogen 3.047 N/A VAL 202.A N VAL 95.A O no hydrogen 3.135 N/A ASN 204.A N LEU 93.A O no hydrogen 3.098 N/A THR 206.A N LYS 203.A O no hydrogen 2.925 N/A THR 206.A OG1 LYS 203.A O no hydrogen 3.345 N/A TRP 208.A NE1 VAL 240.A O no hydrogen 3.190 N/A GLU 209.A N ASP 205.A O no hydrogen 2.976 N/A ASN 210.A N THR 206.A O no hydrogen 3.290 N/A ASN 210.A ND2 THR 206.A O no hydrogen 2.771 N/A THR 211.A N TRP 208.A O no hydrogen 3.418 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.705 N/A THR 211.A OG1 TRP 208.A O no hydrogen 3.445 N/A ASN 212.A N LEU 223.A O no hydrogen 2.761 N/A GLU 214.A N THR 211.A O no hydrogen 3.363 N/A THR 216.A OG1 SER 215.A O no hydrogen 2.643 N/A ALA 217.A N SER 215.A OG no hydrogen 3.392 N/A ALA 220.A N ALA 217.A O no hydrogen 3.096 N/A LYS 221.A N ALA 217.A O no hydrogen 2.704 N/A LEU 223.A N ALA 220.A O no hydrogen 2.780 N/A ARG 225.A N ASN 212.A OD1 no hydrogen 3.112 N/A ARG 225.A NH2 TRP 208.A O no hydrogen 3.288 N/A ASP 227.A N LYS 224.A O no hydrogen 2.843 N/A PHE 228.A N ARG 225.A O no hydrogen 2.814 N/A ARG 229.A N VAL 98.A O no hydrogen 3.072 N/A ARG 229.A NH1 PHE 228.A O no hydrogen 3.034 N/A LEU 230.A N LYS 238.A O no hydrogen 2.700 N/A LEU 231.A N ALA 96.A O no hydrogen 2.970 N/A CYS 232.A N THR 236.A O no hydrogen 3.357 N/A CYS 232.A SG THR 236.A O no hydrogen 3.761 N/A GLY 235.A N CYS 232.A O no hydrogen 3.257 N/A THR 236.A N ASP 234.A OD1 no hydrogen 2.985 N/A ARG 237.A NH1 ASN 102.A O no hydrogen 3.043 N/A ARG 237.A NH1 LEU 105.A O no hydrogen 2.832 N/A ARG 237.A NH2 LYS 100.A O no hydrogen 3.103 N/A LYS 238.A N LEU 230.A O no hydrogen 3.126 N/A LYS 238.A NZ SER 245.A O no hydrogen 3.185 N/A THR 241.A OG1 GLU 242.A OE1 no hydrogen 3.216 N/A GLU 242.A N PRO 239.A O no hydrogen 2.984 N/A SER 245.A N GLU 242.A O no hydrogen 3.266 N/A SER 245.A OG GLU 242.A O no hydrogen 3.527 N/A CYS 246.A N ALA 243.A O no hydrogen 3.429 N/A HIS 247.A ND1 ALA 243.A O no hydrogen 2.815 N/A LEU 248.A N ALA 94.A O no hydrogen 3.111 N/A ALA 251.A N TYR 92.A O no hydrogen 2.607 N/A HIS 254.A NE2 ASP 54.A OD1 no hydrogen 3.032 N/A ALA 255.A N LEU 53.A O no hydrogen 2.875 N/A VAL 256.A N LEU 70.A O no hydrogen 2.818 N/A VAL 257.A N LEU 51.A O no hydrogen 2.872 N/A SER 258.A N VAL 67.A O no hydrogen 3.175 N/A SER 258.A OG ARG 259.A O no hydrogen 3.319 N/A ARG 259.A NE ASP 261.A OD1 no hydrogen 2.963 N/A ARG 259.A NH1 LEU 44.A O no hydrogen 2.909 N/A ARG 259.A NH2 ASP 261.A OD1 no hydrogen 3.396 N/A ARG 259.A NH2 ASP 261.A OD2 no hydrogen 2.717 N/A ARG 262.A N ARG 259.A O no hydrogen 2.963 N/A ARG 262.A NE ASP 49.A OD1 no hydrogen 2.841 N/A ARG 262.A NH2 ASP 49.A OD1 no hydrogen 2.975 N/A ALA 263.A N SER 260.A O no hydrogen 3.350 N/A HIS 265.A N ARG 262.A O no hydrogen 3.009 N/A VAL 266.A N ARG 262.A O no hydrogen 3.005 N/A GLU 267.A N ALA 263.A O no hydrogen 2.850 N/A GLN 268.A N ALA 264.A O no hydrogen 3.080 N/A VAL 269.A N HIS 265.A O no hydrogen 3.260 N/A LEU 270.A N VAL 266.A O no hydrogen 3.000 N/A LEU 271.A N GLU 267.A O no hydrogen 3.077 N/A HIS 272.A N GLN 268.A O no hydrogen 3.273 N/A GLN 273.A N VAL 269.A O no hydrogen 2.836 N/A GLN 274.A N LEU 270.A O no hydrogen 3.032 N/A GLN 274.A NE2 LEU 307.A O no hydrogen 3.173 N/A ALA 275.A N LEU 271.A O no hydrogen 3.196 N/A LEU 276.A N GLN 273.A O no hydrogen 3.209 N/A PHE 277.A N GLN 273.A O no hydrogen 2.885 N/A GLY 278.A N GLN 274.A O no hydrogen 2.713 N/A GLY 281.A N GLY 278.A O no hydrogen 3.177 N/A LYS 282.A N ALA 275.A O no hydrogen 3.129 N/A ASN 283.A N LEU 276.A O no hydrogen 2.803 N/A LYS 287.A N ASN 283.A O no hydrogen 2.863 N/A PHE 288.A N ASN 283.A O no hydrogen 2.907 N/A LEU 290.A N PHE 277.A O no hydrogen 2.991 N/A LYS 292.A N CYS 289.A O no hydrogen 3.319 N/A LYS 292.A NZ PHE 291.A O no hydrogen 3.526 N/A SER 293.A OG ASP 302.A OD1 no hydrogen 2.974 N/A THR 295.A OG1 ASN 210.A OD1 no hydrogen 3.136 N/A LYS 296.A N SER 293.A O no hydrogen 3.112 N/A LYS 296.A NZ GLU 12.A OE1 no hydrogen 3.103 N/A LYS 296.A NZ GLU 12.A OE2 no hydrogen 3.055 N/A LEU 298.A N SER 293.A OG no hydrogen 3.284 N/A LEU 299.A N GLU 13.A OE2 no hydrogen 3.059 N/A PHE 300.A N LEU 298.A O no hydrogen 2.765 N/A ASN 301.A N GLU 72.A OE2 no hydrogen 2.802 N/A ASN 301.A ND2 GLU 72.A OE1 no hydrogen 2.824 N/A ASN 301.A ND2 HIS 254.A ND1 no hydrogen 3.424 N/A THR 304.A N ASN 301.A O no hydrogen 3.240 N/A THR 304.A OG1 ASN 301.A O no hydrogen 3.061 N/A GLU 305.A N ASN 73.A O no hydrogen 2.644 N/A CYS 306.A N ASN 73.A O no hydrogen 3.224 N/A CYS 306.A SG LEU 307.A O no hydrogen 3.551 N/A LEU 307.A N GLN 274.A OE1 no hydrogen 2.927 N/A ALA 308.A N ALA 71.A O no hydrogen 2.553 N/A LYS 309.A N VAL 85.A O no hydrogen 2.954 N/A THR 315.A N GLU 318.A OE1 no hydrogen 2.807 N/A THR 315.A OG1 GLU 318.A OE1 no hydrogen 3.236 N/A TYR 319.A N THR 315.A O no hydrogen 2.778 N/A TYR 319.A OH ASN 253.A O no hydrogen 2.743 N/A LEU 320.A N TYR 316.A O no hydrogen 2.970 N/A GLY 321.A N GLU 317.A O no hydrogen 2.796 N/A VAL 325.A N GLY 321.A O no hydrogen 3.099 N/A THR 326.A N THR 322.A O no hydrogen 3.039 N/A THR 326.A N GLU 323.A O no hydrogen 3.253 N/A THR 326.A OG1 THR 322.A O no hydrogen 3.257 N/A THR 326.A OG1 GLU 323.A O no hydrogen 2.920 N/A ALA 327.A N GLU 323.A O no hydrogen 3.273 N/A ILE 328.A N TYR 324.A O no hydrogen 3.021 N/A ALA 329.A N VAL 325.A O no hydrogen 3.213 N/A ASN 330.A N THR 326.A O no hydrogen 2.973 N/A ASN 330.A ND2 THR 326.A O no hydrogen 2.943 N/A LEU 331.A N ALA 327.A O no hydrogen 3.062 N/A LYS 332.A N ILE 328.A O no hydrogen 2.876 N/A LYS 333.A N ASN 330.A O no hydrogen 3.268 N/A