Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e3p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N TYR 68.A O no hydrogen 3.352 N/A ARG 6.A N ASP 4.A OD1 no hydrogen 3.090 N/A ARG 6.A NH1 TYR 66.A O no hydrogen 2.951 N/A ARG 6.A NH2 TYR 66.A O no hydrogen 3.454 N/A SER 7.A OG TYR 68.A O no hydrogen 2.990 N/A ARG 8.A N ASP 4.A O no hydrogen 3.044 N/A LYS 9.A N GLU 5.A O no hydrogen 2.992 N/A GLU 10.A N ARG 6.A O no hydrogen 2.981 N/A MET 11.A N SER 7.A O no hydrogen 2.869 N/A ASP 12.A N ARG 8.A O no hydrogen 3.100 N/A ARG 13.A N GLU 10.A O no hydrogen 3.080 N/A PHE 14.A N MET 11.A O no hydrogen 3.249 N/A GLN 15.A N LYS 22.A O no hydrogen 3.048 N/A GLU 17.A N LEU 20.A O no hydrogen 2.974 N/A GLN 19.A N ILE 32.A O no hydrogen 3.138 N/A GLY 21.A N VAL 30.A O no hydrogen 2.965 N/A LYS 22.A N GLN 15.A O no hydrogen 2.981 N/A GLU 23.A N MET 28.A O no hydrogen 2.734 N/A LYS 24.A N ARG 13.A O no hydrogen 3.171 N/A LYS 24.A NZ ASP 12.A O no hydrogen 2.974 N/A LYS 24.A NZ PHE 14.A O no hydrogen 3.426 N/A GLY 27.A N GLU 23.A O no hydrogen 2.823 N/A VAL 30.A N GLY 21.A O no hydrogen 2.818 N/A ALA 31.A N MET 84.A O no hydrogen 2.927 N/A ILE 32.A N GLN 19.A O no hydrogen 2.728 N/A LYS 33.A N VAL 82.A O no hydrogen 2.777 N/A VAL 35.A N LEU 80.A O no hydrogen 2.780 N/A GLN 37.A N ILE 78.A O no hydrogen 2.963 N/A ARG 40.A N ASP 38.A OD2 no hydrogen 2.858 N/A ARG 40.A NE ASP 38.A OD2 no hydrogen 3.109 N/A ARG 40.A NH2 ASP 38.A OD1 no hydrogen 3.443 N/A PHE 41.A N ASP 38.A O no hydrogen 3.045 N/A ARG 44.A NH2 GLU 165.A OE2 no hydrogen 3.307 N/A LEU 46.A N ASN 43.A OD1 no hydrogen 2.940 N/A GLN 47.A NE2 ASP 51.A OD1 no hydrogen 2.729 N/A ILE 48.A N ARG 44.A O no hydrogen 2.881 N/A MET 49.A N GLU 45.A O no hydrogen 2.753 N/A GLN 50.A N LEU 46.A O no hydrogen 2.889 N/A ASP 51.A N GLN 47.A O no hydrogen 2.883 N/A LEU 52.A N ILE 48.A O no hydrogen 2.902 N/A ALA 53.A N MET 49.A O no hydrogen 2.930 N/A LEU 55.A N LEU 52.A O no hydrogen 2.917 N/A HIS 56.A N LEU 52.A O no hydrogen 3.108 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 3.066 N/A ASN 59.A ND2 GLN 116.A OE1 no hydrogen 3.066 N/A ASN 59.A ND2 LEU 150.A O no hydrogen 2.741 N/A ILE 60.A N HIS 57.A O no hydrogen 3.396 N/A VAL 61.A N LEU 152.A O no hydrogen 3.142 N/A GLN 62.A N GLU 85.A OE1 no hydrogen 3.157 N/A GLN 62.A NE2 ALA 53.A O no hydrogen 2.997 N/A GLN 64.A N VAL 83.A O no hydrogen 2.683 N/A GLN 64.A NE2 GLN 62.A O no hydrogen 3.048 N/A SER 65.A N VAL 83.A O no hydrogen 3.256 N/A SER 65.A OG GLU 10.A OE1 no hydrogen 2.973 N/A PHE 67.A N ASN 81.A O no hydrogen 2.875 N/A TYR 68.A N SER 7.A OG no hydrogen 2.554 N/A THR 69.A N TYR 79.A O no hydrogen 3.029 N/A LEU 70.A N ALA 1.A O no hydrogen 2.660 N/A ARG 76.A N ASP 74.A OD1 no hydrogen 3.133 N/A ASP 77.A N ASP 74.A O no hydrogen 3.202 N/A TYR 79.A N THR 69.A O no hydrogen 2.721 N/A LEU 80.A N VAL 35.A O no hydrogen 2.760 N/A ASN 81.A N PHE 67.A O no hydrogen 2.677 N/A ASN 81.A ND2 PHE 67.A O no hydrogen 2.836 N/A ASN 81.A ND2 THR 69.A OG1 no hydrogen 3.059 N/A VAL 82.A N LYS 33.A O no hydrogen 2.694 N/A VAL 83.A N SER 65.A O no hydrogen 2.705 N/A MET 84.A N ALA 31.A O no hydrogen 2.988 N/A GLU 85.A N GLN 62.A O no hydrogen 2.811 N/A TYR 86.A N SER 29.A O no hydrogen 3.013 N/A LEU 91.A N VAL 141.A O no hydrogen 2.863 N/A HIS 92.A N PRO 138.A O no hydrogen 3.267 N/A ARG 93.A N THR 90.A OG1 no hydrogen 3.235 N/A CYS 94.A N THR 90.A O no hydrogen 2.911 N/A CYS 94.A SG GLU 145.A OE2 no hydrogen 3.371 N/A CYS 95.A N LEU 91.A O no hydrogen 2.998 N/A CYS 95.A SG LEU 91.A O no hydrogen 3.463 N/A ARG 96.A N HIS 92.A O no hydrogen 2.876 N/A ARG 96.A NH2.A ASN 97.A OD1 no hydrogen 3.559 N/A ASN 97.A N ARG 93.A O no hydrogen 2.964 N/A TYR 98.A OH GLU 145.A OE2 no hydrogen 2.787 N/A TYR 99.A N CYS 95.A O no hydrogen 3.151 N/A TYR 99.A OH MET 204.A O no hydrogen 2.574 N/A ARG 100.A N ARG 96.A O no hydrogen 2.875 N/A ARG 101.A N TYR 98.A O no hydrogen 2.783 N/A ARG 101.A NE ASN 97.A O no hydrogen 3.190 N/A GLN 102.A N TYR 99.A O no hydrogen 3.109 N/A VAL 103.A N TYR 98.A O no hydrogen 3.262 N/A LEU 109.A N PRO 106.A O no hydrogen 3.004 N/A ILE 110.A N PRO 106.A O no hydrogen 3.119 N/A LYS 111.A N PRO 107.A O no hydrogen 2.923 N/A LYS 111.A NZ ASP 266.A OD2 no hydrogen 2.782 N/A LYS 111.A NZ TYR 296.A O no hydrogen 2.608 N/A LYS 111.A NZ GLU 299.A OE2 no hydrogen 2.697 N/A VAL 112.A N ILE 108.A O no hydrogen 2.800 N/A PHE 113.A N LEU 109.A O no hydrogen 2.745 N/A LEU 114.A N ILE 110.A O no hydrogen 3.182 N/A PHE 115.A N LYS 111.A O no hydrogen 3.137 N/A GLN 116.A N VAL 112.A O no hydrogen 3.324 N/A GLN 116.A NE2 VAL 112.A O no hydrogen 2.949 N/A GLN 116.A NE2 GLY 148.A O no hydrogen 2.769 N/A LEU 117.A N PHE 113.A O no hydrogen 2.952 N/A ILE 118.A N LEU 114.A O no hydrogen 2.839 N/A ARG 119.A N PHE 115.A O no hydrogen 2.967 N/A ARG 119.A NH1 LEU 317.A O no hydrogen 3.117 N/A ARG 119.A NH1 ARG 319.A O no hydrogen 3.287 N/A ARG 119.A NH2 ARG 319.A O no hydrogen 3.024 N/A ARG 119.A NH2 GLU 324.A OE2 no hydrogen 2.986 N/A SER 120.A N GLN 116.A O no hydrogen 2.875 N/A SER 120.A OG LEU 117.A O no hydrogen 2.671 N/A ILE 121.A N LEU 117.A O no hydrogen 3.378 N/A GLY 122.A N ILE 118.A O no hydrogen 2.993 N/A CYS 123.A N ARG 119.A O no hydrogen 3.269 N/A LEU 124.A N SER 120.A O no hydrogen 3.149 N/A HIS 125.A N ILE 121.A O no hydrogen 2.888 N/A HIS 125.A NE2 ASP 193.A OD2 no hydrogen 2.832 N/A LEU 126.A N CYS 123.A O no hydrogen 3.094 N/A VAL 129.A N LEU 126.A O no hydrogen 2.913 N/A ASN 130.A N LEU 126.A O no hydrogen 2.510 N/A ASN 130.A ND2 LEU 161.A O no hydrogen 3.080 N/A VAL 131.A N LEU 124.A O no hydrogen 2.698 N/A CYS 132.A N LYS 159.A O no hydrogen 2.972 N/A CYS 132.A SG ASP 193.A OD2 no hydrogen 3.714 N/A HIS 133.A N ASP 193.A OD2 no hydrogen 2.975 N/A HIS 133.A NE2 CYS 153.A O no hydrogen 2.802 N/A ARG 134.A N ASP 193.A OD1 no hydrogen 2.974 N/A ARG 134.A NE SER 157.A O no hydrogen 2.885 N/A ARG 134.A NH1 TYR 188.A OH no hydrogen 2.936 N/A ARG 134.A NH2 SER 157.A O no hydrogen 3.537 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 3.244 N/A LYS 137.A NZ SER 173.A OG no hydrogen 3.047 N/A ASN 140.A N LYS 137.A O no hydrogen 2.784 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.776 N/A ASN 140.A ND2 ASP 135.A OD2 no hydrogen 3.476 N/A VAL 141.A N PRO 138.A O no hydrogen 3.471 N/A LEU 142.A N LYS 151.A O no hydrogen 2.749 N/A VAL 143.A N ASP 89.A O no hydrogen 3.016 N/A ASN 144.A N THR 149.A O no hydrogen 2.920 N/A ASP 147.A N ASN 144.A OD1 no hydrogen 3.085 N/A GLY 148.A N ASN 144.A O no hydrogen 2.735 N/A THR 149.A N ASN 144.A O no hydrogen 3.162 N/A LYS 151.A N LEU 142.A O no hydrogen 2.778 N/A LYS 151.A NZ GLU 85.A OE1 no hydrogen 2.847 N/A LEU 152.A N ASN 59.A O no hydrogen 2.781 N/A CYS 153.A N ASN 140.A O no hydrogen 2.867 N/A GLY 156.A N ASP 154.A OD1 no hydrogen 3.018 N/A ALA 158.A N PHE 155.A O no hydrogen 3.073 N/A LYS 159.A N CYS 132.A O no hydrogen 3.091 N/A LYS 159.A NZ GLU 165.A OE2 no hydrogen 3.183 N/A LYS 159.A NZ PRO 166.A O no hydrogen 3.358 N/A LYS 159.A NZ ASN 167.A OD1 no hydrogen 2.745 N/A LYS 160.A NZ ASP 51.A OD2 no hydrogen 3.202 N/A SER 162.A OG SER 164.A OG no hydrogen 2.812 N/A SER 164.A N SER 162.A OG no hydrogen 3.392 N/A SER 164.A OG SER 162.A OG no hydrogen 2.812 N/A GLU 165.A N SER 162.A O no hydrogen 3.166 N/A ASN 167.A N GLN 186.A O no hydrogen 2.764 N/A ASN 167.A ND2 GLN 186.A O no hydrogen 2.950 N/A CYS 172.A N ALA 169.A O no hydrogen 3.398 N/A CYS 172.A SG SER 173.A O no hydrogen 3.214 N/A SER 173.A N ASP 135.A OD1 no hydrogen 2.775 N/A SER 173.A OG ASP 135.A OD1 no hydrogen 2.563 N/A SER 173.A OG ASP 135.A OD2 no hydrogen 3.534 N/A ARG 174.A NH1 GLY 213.A O no hydrogen 2.961 N/A TYR 176.A N SER 173.A O no hydrogen 3.141 N/A TYR 176.A OH GLU 203.A OE1 no hydrogen 2.580 N/A TYR 176.A OH GLU 203.A OE2 no hydrogen 3.407 N/A ARG 177.A N ARG 174.A O no hydrogen 3.049 N/A ARG 177.A NE CYS 172.A O no hydrogen 3.024 N/A ARG 177.A NH2 CYS 172.A O no hydrogen 2.754 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.643 N/A LEU 181.A N ALA 178.A O no hydrogen 3.061 N/A ILE 182.A N ALA 178.A O no hydrogen 3.065 N/A PHE 183.A N PRO 179.A O no hydrogen 2.922 N/A GLY 184.A N LEU 181.A O no hydrogen 3.202 N/A ASN 185.A N GLU 180.A O no hydrogen 3.110 N/A ASN 185.A ND2 LEU 238.A O no hydrogen 3.696 N/A TYR 188.A OH VAL 168.A O no hydrogen 2.511 N/A VAL 192.A N THR 189.A O no hydrogen 3.164 N/A ASP 193.A N THR 190.A O no hydrogen 2.907 N/A TRP 195.A N ALA 191.A O no hydrogen 3.323 N/A SER 196.A N VAL 192.A O no hydrogen 3.395 N/A SER 196.A OG TYR 176.A O no hydrogen 3.032 N/A SER 196.A OG VAL 192.A O no hydrogen 3.187 N/A VAL 197.A N ASP 193.A O no hydrogen 3.069 N/A GLY 198.A N ILE 194.A O no hydrogen 2.954 N/A CYS 199.A N TRP 195.A O no hydrogen 2.888 N/A CYS 199.A SG TYR 175.A O no hydrogen 4.021 N/A CYS 199.A SG TRP 195.A O no hydrogen 3.334 N/A ILE 200.A N SER 196.A O no hydrogen 3.122 N/A PHE 201.A N VAL 197.A O no hydrogen 3.046 N/A ALA 202.A N GLY 198.A O no hydrogen 3.198 N/A GLU 203.A N CYS 199.A O no hydrogen 3.030 N/A MET 204.A N ILE 200.A O no hydrogen 2.719 N/A MET 204.A N PHE 201.A O no hydrogen 3.140 N/A MET 205.A N PHE 201.A O no hydrogen 3.287 N/A LEU 206.A N GLU 203.A O no hydrogen 3.400 N/A GLY 207.A N GLU 203.A O no hydrogen 2.968 N/A GLY 213.A N GLN 219.A OE1 no hydrogen 2.927 N/A GLY 218.A N ASN 215.A OD1 no hydrogen 2.678 N/A GLN 219.A N ASN 215.A O no hydrogen 2.737 N/A GLN 219.A NE2 TYR 175.A O no hydrogen 3.325 N/A GLN 219.A NE2 PHE 211.A O no hydrogen 3.003 N/A LEU 220.A N SER 216.A O no hydrogen 3.233 N/A HIS 221.A N ALA 217.A O no hydrogen 3.032 N/A GLU 222.A N GLY 218.A O no hydrogen 3.021 N/A ILE 223.A N GLN 219.A O no hydrogen 3.254 N/A VAL 224.A N LEU 220.A O no hydrogen 2.920 N/A ARG 225.A N HIS 221.A O no hydrogen 2.749 N/A VAL 226.A N ILE 223.A O no hydrogen 3.152 N/A LEU 227.A N ILE 223.A O no hydrogen 2.711 N/A GLY 228.A N VAL 224.A O no hydrogen 2.733 N/A CYS 229.A N SER 250.A O no hydrogen 3.259 N/A CYS 229.A SG PRO 230.A O no hydrogen 3.143 N/A CYS 229.A SG VAL 245.A O no hydrogen 3.648 N/A VAL 234.A N SER 231.A OG no hydrogen 3.153 N/A LEU 235.A N SER 231.A O no hydrogen 3.063 N/A ARG 236.A N ARG 232.A O no hydrogen 2.718 N/A LYS 237.A N GLU 233.A O no hydrogen 2.977 N/A LYS 237.A NZ GLU 233.A OE2 no hydrogen 2.657 N/A LEU 238.A N VAL 234.A O no hydrogen 2.740 N/A ASN 239.A N LEU 235.A O no hydrogen 2.707 N/A ASN 239.A ND2 TYR 248.A OH no hydrogen 3.379 N/A HIS 242.A N ASN 239.A O no hydrogen 2.906 N/A ASP 246.A N ASP 244.A OD1 no hydrogen 3.374 N/A LEU 247.A N ASP 244.A O no hydrogen 3.181 N/A TYR 248.A N VAL 245.A O no hydrogen 3.200 N/A TYR 248.A OH HIS 242.A O no hydrogen 2.729 N/A SER 250.A OG VAL 224.A O no hydrogen 2.734 N/A ILE 253.A N VAL 226.A O no hydrogen 3.046 N/A TRP 255.A NE1 SER 275.A OG no hydrogen 2.964 N/A ASN 257.A N PRO 254.A O no hydrogen 3.057 N/A VAL 258.A N PRO 254.A O no hydrogen 3.108 N/A PHE 259.A N TRP 255.A O no hydrogen 2.769 N/A SER 260.A OG ASN 257.A O no hydrogen 2.528 N/A LYS 265.A NZ GLU 299.A OE1 no hydrogen 3.238 N/A LYS 265.A NZ GLU 299.A OE2 no hydrogen 3.539 N/A LYS 268.A NZ GLU 269.A OE2 no hydrogen 2.691 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.871 N/A ALA 270.A N ASP 266.A O no hydrogen 3.108 N/A TYR 271.A N ALA 267.A O no hydrogen 2.885 N/A ASP 272.A N LYS 268.A O no hydrogen 3.152 N/A LEU 273.A N GLU 269.A O no hydrogen 3.088 N/A LEU 274.A N ALA 270.A O no hydrogen 2.766 N/A SER 275.A N TYR 271.A O no hydrogen 2.860 N/A SER 275.A OG TYR 271.A O no hydrogen 3.269 N/A ALA 276.A N ASP 272.A O no hydrogen 2.996 N/A LEU 277.A N LEU 273.A O no hydrogen 3.122 N/A LEU 278.A N LEU 274.A O no hydrogen 3.011 N/A GLN 279.A NE2 SER 275.A O no hydrogen 3.041 N/A TYR 280.A OH GLY 228.A O no hydrogen 2.681 N/A GLU 284.A N LEU 281.A O no hydrogen 2.790 N/A ARG 285.A N PRO 282.A O no hydrogen 3.144 N/A ARG 285.A NE GLN 279.A O no hydrogen 2.694 N/A ARG 285.A NH1 GLU 180.A OE2 no hydrogen 2.894 N/A ARG 285.A NH1 ALA 191.A O no hydrogen 2.920 N/A ARG 285.A NH2 GLU 180.A OE1 no hydrogen 2.945 N/A ARG 285.A NH2 GLN 279.A O no hydrogen 3.388 N/A ARG 285.A NH2 TYR 280.A O no hydrogen 3.151 N/A MET 286.A N ALA 276.A O no hydrogen 2.956 N/A TYR 289.A OH GLU 324.A OE1 no hydrogen 2.561 N/A GLU 290.A N LYS 287.A O no hydrogen 2.843 N/A ALA 291.A N LYS 287.A O no hydrogen 2.913 N/A LEU 292.A N PRO 288.A O no hydrogen 2.871 N/A CYS 293.A N GLU 290.A O no hydrogen 3.022 N/A CYS 293.A SG TYR 289.A O no hydrogen 3.393 N/A HIS 294.A N ALA 291.A O no hydrogen 2.966 N/A HIS 294.A NE2 ASP 272.A OD2 no hydrogen 2.604 N/A TYR 296.A N HIS 294.A ND1 no hydrogen 3.076 N/A PHE 297.A N HIS 294.A O no hydrogen 3.087 N/A ASP 298.A N PRO 295.A O no hydrogen 3.019 N/A LEU 300.A N PHE 297.A O no hydrogen 3.048 N/A HIS 301.A N ASP 298.A O no hydrogen 3.140 N/A ASP 302.A N GLU 299.A O no hydrogen 3.107 N/A ALA 304.A N ASP 302.A OD1 no hydrogen 2.758 N/A THR 305.A N ASP 302.A O no hydrogen 2.840 N/A THR 305.A OG1 GLU 299.A O no hydrogen 2.604 N/A LYS 306.A NZ PRO 303.A O no hydrogen 3.272 N/A LYS 306.A NZ ASP 312.A OD1 no hydrogen 2.586 N/A LEU 307.A N LYS 311.A O no hydrogen 2.639 N/A ASN 309.A ND2 ALA 146.A O no hydrogen 3.454 N/A ASN 310.A N LEU 307.A O no hydrogen 2.811 N/A LYS 311.A N ASN 309.A OD1 no hydrogen 3.228 N/A LEU 317.A N PRO 314.A O no hydrogen 3.172 N/A ARG 319.A N ASP 316.A O no hydrogen 2.682 N/A ARG 319.A NE ASP 316.A OD1 no hydrogen 3.046 N/A ARG 319.A NH2 ASP 316.A OD2 no hydrogen 3.500 N/A LEU 321.A N GLU 324.A OE2 no hydrogen 3.372 N/A GLU 324.A N LEU 321.A O no hydrogen 2.908 N/A ILE 325.A N LEU 321.A O no hydrogen 3.125 N/A GLU 326.A N PRO 322.A O no hydrogen 2.850 N/A VAL 327.A N GLU 324.A O no hydrogen 3.030 N/A MET 328.A N GLU 324.A O no hydrogen 3.223 N/A MET 328.A N ILE 325.A O no hydrogen 3.189 N/A SER 329.A N GLN 332.A OE1 no hydrogen 3.166 N/A GLN 332.A N SER 329.A OG no hydrogen 3.201 N/A GLN 332.A NE2 GLU 290.A OE1 no hydrogen 3.230 N/A LYS 333.A N SER 329.A O no hydrogen 3.009 N/A ALA 334.A N GLU 330.A O no hydrogen 2.809 N/A LYS 335.A N ALA 331.A O no hydrogen 3.165 N/A LYS 335.A NZ ASP 298.A OD1 no hydrogen 2.772 N/A LEU 336.A N GLN 332.A O no hydrogen 2.967 N/A VAL 337.A N LYS 333.A O no hydrogen 3.159 N/A