Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c2s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 16.A N LYS 13.A O no hydrogen 3.230 N/A CYS 18.A SG GLY 36.A O no hydrogen 3.297 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.856 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 3.102 N/A ARG 19.A NH1 GLU 35.A O no hydrogen 2.705 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 2.796 N/A ARG 19.A NH2 VAL 273.A O no hydrogen 2.843 N/A ASP 21.A N ASP 21.A OD1 no hydrogen 2.513 N/A THR 26.A N ALA 30.A O no hydrogen 2.739 N/A THR 26.A OG1 ALA 30.A O no hydrogen 3.454 N/A TRP 28.A N THR 26.A OG1 no hydrogen 3.272 N/A TRP 28.A NE1 PRO 253.A O no hydrogen 2.776 N/A LEU 29.A N THR 26.A O no hydrogen 3.087 N/A ALA 30.A N THR 26.A OG1 no hydrogen 2.863 N/A ILE 32.A N VAL 24.A O no hydrogen 2.934 N/A VAL 33.A N VAL 256.A O no hydrogen 2.881 N/A TRP 34.A NE1 LEU 23.A O no hydrogen 2.858 N/A GLU 35.A N GLU 260.A OE2 no hydrogen 2.882 N/A THR 37.A N TRP 34.A O no hydrogen 3.202 N/A THR 37.A OG1 TRP 34.A O no hydrogen 2.820 N/A ILE 42.A N ASN 39.A OD1 no hydrogen 2.967 N/A LEU 43.A N ASN 39.A O no hydrogen 3.368 N/A ASN 44.A N ILE 40.A O no hydrogen 2.741 N/A GLU 45.A N ASP 41.A O no hydrogen 3.019 N/A GLN 46.A N ILE 42.A O no hydrogen 3.035 N/A PHE 47.A N LEU 43.A O no hydrogen 3.101 N/A ARG 48.A N ASN 44.A O no hydrogen 3.142 N/A ARG 48.A NH1 ASN 51.A OD1 no hydrogen 3.346 N/A LEU 49.A N GLU 45.A O no hydrogen 3.057 N/A GLN 50.A N PHE 47.A O no hydrogen 2.828 N/A ASN 51.A N ARG 48.A O no hydrogen 2.971 N/A THR 52.A N PHE 47.A O no hydrogen 3.354 N/A THR 52.A OG1 PHE 47.A O no hydrogen 2.657 N/A THR 53.A N ASP 143.A OD2 no hydrogen 2.862 N/A ILE 54.A N ARG 84.A O no hydrogen 2.832 N/A GLY 55.A N TYR 144.A O no hydrogen 2.762 N/A LEU 56.A N HIS 86.A O no hydrogen 2.922 N/A THR 57.A N VAL 146.A O no hydrogen 2.809 N/A THR 57.A OG1 VAL 146.A O no hydrogen 3.435 N/A VAL 58.A N TYR 88.A O no hydrogen 2.988 N/A ALA 60.A N PHE 90.A O no hydrogen 2.729 N/A LYS 62.A N ASP 92.A OD1 no hydrogen 2.694 N/A LYS 62.A NZ TYR 116.A O no hydrogen 2.920 N/A LYS 62.A NZ LYS 117.A O no hydrogen 2.858 N/A LYS 63.A NZ ALA 288.A O no hydrogen 3.388 N/A TYR 64.A N ILE 61.A O no hydrogen 3.173 N/A ALA 66.A N LYS 63.A O no hydrogen 3.342 N/A PHE 67.A N TYR 64.A O no hydrogen 3.339 N/A LEU 68.A N VAL 65.A O no hydrogen 3.371 N/A PHE 71.A N PHE 67.A O no hydrogen 3.116 N/A LEU 72.A N LEU 68.A O no hydrogen 2.794 N/A GLU 73.A N LYS 69.A O no hydrogen 3.080 N/A THR 74.A N LEU 70.A O no hydrogen 2.999 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.641 N/A THR 74.A OG1 PHE 71.A O no hydrogen 3.021 N/A ALA 75.A N PHE 71.A O no hydrogen 3.007 N/A GLU 76.A N LEU 72.A O no hydrogen 3.037 N/A LYS 77.A N THR 74.A O no hydrogen 3.215 N/A HIS 78.A N THR 74.A O no hydrogen 3.163 N/A PHE 79.A N ALA 75.A O no hydrogen 2.788 N/A MET 80.A N VAL 158.A O no hydrogen 2.882 N/A HIS 83.A N MET 80.A O no hydrogen 3.216 N/A HIS 83.A NE2 ASN 44.A OD1 no hydrogen 2.963 N/A VAL 85.A N GLY 105.A O no hydrogen 3.353 N/A HIS 86.A N ILE 54.A O no hydrogen 2.837 N/A HIS 86.A NE2 SER 109.A OG no hydrogen 3.062 N/A TYR 87.A N GLN 107.A O no hydrogen 2.768 N/A TYR 87.A OH GLU 76.A OE2 no hydrogen 2.651 N/A TYR 88.A N LEU 56.A O no hydrogen 2.749 N/A TYR 88.A OH GLU 141.A OE1 no hydrogen 2.657 N/A VAL 89.A N SER 109.A O no hydrogen 2.940 N/A PHE 90.A N VAL 58.A O no hydrogen 2.779 N/A THR 91.A N LEU 111.A O no hydrogen 3.039 N/A THR 91.A OG1 ALA 60.A O no hydrogen 2.756 N/A THR 91.A OG1 GLN 93.A O no hydrogen 3.378 N/A ASP 92.A N ASP 92.A OD1 no hydrogen 2.682 N/A GLN 93.A N THR 91.A OG1 no hydrogen 2.885 N/A GLN 93.A NE2 LYS 62.A O no hydrogen 2.703 N/A GLN 93.A NE2 ASP 92.A OD1 no hydrogen 2.991 N/A ALA 96.A N GLN 93.A O no hydrogen 3.149 N/A GLY 103.A N GLU 76.A OE1 no hydrogen 2.655 N/A ARG 106.A NE GLU 76.A OE2 no hydrogen 2.806 N/A ARG 106.A NH1 PHE 79.A O no hydrogen 3.390 N/A ARG 106.A NH1 MET 80.A O no hydrogen 3.263 N/A ARG 106.A NH2 GLU 76.A OE2 no hydrogen 3.455 N/A ARG 106.A NH2 PHE 79.A O no hydrogen 3.017 N/A ARG 106.A NH2 TYR 87.A OH no hydrogen 2.924 N/A GLN 107.A N VAL 85.A O no hydrogen 2.927 N/A SER 109.A N TYR 87.A O no hydrogen 2.834 N/A SER 109.A OG HIS 86.A NE2 no hydrogen 3.062 N/A LEU 111.A N VAL 89.A O no hydrogen 2.998 N/A VAL 113.A N THR 91.A O no hydrogen 2.996 N/A ARG 118.A NH1 ASP 121.A OD2 no hydrogen 3.062 N/A ARG 118.A NH1 GLU 235.A OE1 no hydrogen 3.161 N/A ARG 118.A NH2 GLU 235.A OE2 no hydrogen 3.253 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.884 N/A VAL 122.A N ARG 118.A O no hydrogen 3.028 N/A SER 123.A N TRP 119.A O no hydrogen 2.976 N/A SER 123.A OG ASP 240.A OD1 no hydrogen 2.546 N/A SER 123.A OG ASP 240.A OD2 no hydrogen 3.431 N/A MET 124.A N GLN 120.A O no hydrogen 2.848 N/A ARG 125.A N ASP 121.A O no hydrogen 2.847 N/A ARG 125.A NH1 GLU 128.A OE1 no hydrogen 2.629 N/A ARG 126.A N SER 123.A O no hydrogen 3.471 N/A ARG 126.A NE SER 123.A O no hydrogen 3.002 N/A ARG 126.A NH1 ASP 149.A OD1 no hydrogen 2.869 N/A ARG 126.A NH2 ASP 240.A OD2 no hydrogen 2.767 N/A MET 129.A N ARG 125.A O no hydrogen 3.149 N/A ILE 130.A N ARG 126.A O no hydrogen 2.786 N/A SER 131.A N MET 127.A O no hydrogen 3.128 N/A SER 131.A OG GLU 135.A OE2 no hydrogen 3.487 N/A ASP 132.A N GLU 128.A O no hydrogen 2.822 N/A PHE 133.A N MET 129.A O no hydrogen 3.011 N/A CYS 134.A N ILE 130.A O no hydrogen 2.789 N/A CYS 134.A SG ILE 130.A O no hydrogen 3.053 N/A GLU 135.A N SER 131.A O no hydrogen 2.830 N/A ARG 136.A N ASP 132.A O no hydrogen 3.051 N/A ARG 137.A NH1 GLU 141.A OE1 no hydrogen 3.340 N/A ARG 137.A NH1 GLU 141.A OE2 no hydrogen 3.054 N/A SER 140.A N ARG 137.A O no hydrogen 3.378 N/A ASP 143.A N THR 53.A O no hydrogen 2.820 N/A TYR 144.A N THR 53.A O no hydrogen 3.312 N/A LEU 145.A N GLY 210.A O no hydrogen 2.989 N/A VAL 146.A N GLY 55.A O no hydrogen 2.685 N/A CYS 147.A N PHE 208.A O no hydrogen 2.836 N/A CYS 147.A SG THR 57.A OG1 no hydrogen 3.623 N/A VAL 148.A N THR 57.A O no hydrogen 3.419 N/A ASP 149.A N GLY 206.A O no hydrogen 3.007 N/A MET 152.A N VAL 150.A O no hydrogen 2.615 N/A GLU 153.A N THR 280.A O no hydrogen 2.968 N/A PHE 154.A N THR 74.A OG1 no hydrogen 3.173 N/A ARG 155.A N ARG 278.A O no hydrogen 2.681 N/A ARG 155.A NH1 GLN 265.A OE1 no hydrogen 3.383 N/A ARG 155.A NH1 THR 280.A OG1 no hydrogen 3.149 N/A ARG 155.A NH2 GLN 265.A OE1 no hydrogen 2.810 N/A ASP 156.A N ARG 278.A O no hydrogen 3.278 N/A HIS 157.A N ASP 156.A OD1 no hydrogen 2.741 N/A HIS 157.A NE2 GLU 161.A OE1 no hydrogen 2.945 N/A VAL 158.A N HIS 78.A O no hydrogen 3.049 N/A GLY 159.A N GLU 161.A OE2 no hydrogen 2.689 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.908 N/A ILE 162.A N GLY 159.A O no hydrogen 3.138 N/A LEU 163.A N VAL 160.A O no hydrogen 3.203 N/A THR 164.A OG1 THR 254.A OG1 no hydrogen 2.551 N/A LEU 166.A N THR 254.A OG1 no hydrogen 2.966 N/A PHE 167.A N GLY 209.A O no hydrogen 3.122 N/A GLY 168.A N LYS 255.A O no hydrogen 3.415 N/A THR 169.A OG1 PHE 207.A O no hydrogen 2.643 N/A LEU 170.A N LEU 257.A O no hydrogen 2.998 N/A HIS 171.A N TYR 202.A O no hydrogen 2.898 N/A GLY 173.A N HIS 171.A ND1 no hydrogen 3.154 N/A SER 177.A N PHE 174.A O no hydrogen 2.663 N/A ARG 179.A NE GLY 199.A O no hydrogen 2.977 N/A ARG 179.A NH2 GLY 199.A O no hydrogen 2.957 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.796 N/A ALA 181.A N SER 178.A O no hydrogen 2.938 N/A PHE 182.A N ARG 179.A O no hydrogen 3.168 N/A THR 183.A OG1 TYR 202.A OH no hydrogen 3.356 N/A TYR 184.A OH PHE 201.A O no hydrogen 2.661 N/A ARG 186.A NH1 ILE 194.A O no hydrogen 2.707 N/A ARG 186.A NH2 ARG 179.A O no hydrogen 3.133 N/A ARG 187.A N GLU 185.A OE2 no hydrogen 2.813 N/A ARG 187.A NE GLU 185.A OE2 no hydrogen 2.867 N/A ARG 187.A NH2 GLU 185.A OE1 no hydrogen 2.875 N/A ARG 187.A NH2 GLU 185.A OE2 no hydrogen 3.531 N/A ARG 187.A NH2 GLU 235.A O no hydrogen 3.278 N/A SER 190.A N ARG 187.A O no hydrogen 3.027 N/A SER 190.A OG ASP 229.A OD2 no hydrogen 2.971 N/A GLN 191.A N ASP 229.A OD1 no hydrogen 3.124 N/A ALA 192.A N SER 190.A OG no hydrogen 3.106 N/A TYR 193.A N SER 190.A O no hydrogen 3.361 N/A ILE 194.A N GLU 185.A O no hydrogen 2.956 N/A GLU 198.A N PRO 195.A O no hydrogen 3.116 N/A TYR 202.A OH GLU 241.A OE2 no hydrogen 2.916 N/A TYR 203.A N ASN 245.A OD1 no hydrogen 2.724 N/A LEU 204.A N THR 169.A O no hydrogen 2.790 N/A GLY 205.A N GLU 241.A OE1 no hydrogen 2.987 N/A PHE 208.A N CYS 147.A O no hydrogen 3.216 N/A GLY 209.A N PHE 167.A O no hydrogen 3.394 N/A GLY 210.A N LEU 145.A O no hydrogen 3.188 N/A SER 211.A N PRO 165.A O no hydrogen 2.791 N/A VAL 215.A N SER 211.A O no hydrogen 2.840 N/A GLN 216.A N VAL 212.A O no hydrogen 3.202 N/A ARG 217.A N GLN 213.A O no hydrogen 3.279 N/A ARG 217.A NH2 GLN 213.A OE1 no hydrogen 2.972 N/A LEU 218.A N GLU 214.A O no hydrogen 2.947 N/A THR 219.A N VAL 215.A O no hydrogen 2.880 N/A THR 219.A OG1 VAL 215.A O no hydrogen 3.196 N/A THR 219.A OG1 GLN 216.A O no hydrogen 3.519 N/A ARG 220.A N GLN 216.A O no hydrogen 3.196 N/A ALA 221.A N ARG 217.A O no hydrogen 3.209 N/A CYS 222.A N LEU 218.A O no hydrogen 2.956 N/A CYS 222.A SG LEU 218.A O no hydrogen 3.553 N/A HIS 223.A N THR 219.A O no hydrogen 2.889 N/A GLN 224.A N ARG 220.A O no hydrogen 2.931 N/A ALA 225.A N ALA 221.A O no hydrogen 3.030 N/A MET 226.A N CYS 222.A O no hydrogen 3.121 N/A MET 227.A N HIS 223.A O no hydrogen 3.008 N/A VAL 228.A N GLN 224.A O no hydrogen 3.126 N/A ASP 229.A N ALA 225.A O no hydrogen 3.228 N/A GLN 230.A N MET 226.A O no hydrogen 2.916 N/A ALA 231.A N MET 227.A O no hydrogen 2.941 N/A ASN 232.A N VAL 228.A O no hydrogen 3.090 N/A GLY 233.A N GLN 230.A O no hydrogen 3.345 N/A ILE 234.A N ASP 229.A O no hydrogen 2.945 N/A VAL 237.A N GLU 185.A OE1 no hydrogen 2.862 N/A TRP 238.A N SER 242.A OG no hydrogen 3.137 N/A HIS 239.A N ALA 236.A O no hydrogen 3.047 N/A SER 242.A N HIS 239.A O no hydrogen 3.128 N/A HIS 243.A N HIS 239.A O no hydrogen 3.376 N/A HIS 243.A ND1 HIS 239.A O no hydrogen 3.055 N/A LEU 244.A N ASP 240.A O no hydrogen 2.843 N/A ASN 245.A N GLU 241.A O no hydrogen 3.060 N/A ASN 245.A ND2 TYR 203.A O no hydrogen 3.249 N/A ASN 245.A ND2 GLU 241.A O no hydrogen 2.991 N/A LYS 246.A N SER 242.A O no hydrogen 3.074 N/A LYS 246.A NZ GLN 191.A O no hydrogen 2.658 N/A LYS 246.A NZ TYR 193.A O no hydrogen 3.006 N/A TYR 247.A N HIS 243.A O no hydrogen 2.999 N/A LEU 248.A N LEU 244.A O no hydrogen 2.863 N/A LEU 249.A N ASN 245.A O no hydrogen 3.188 N/A ARG 250.A N LYS 246.A O no hydrogen 3.242 N/A ARG 250.A NH1 GLU 198.A OE1 no hydrogen 2.859 N/A HIS 251.A N TYR 247.A O no hydrogen 2.768 N/A HIS 251.A ND1 TYR 247.A O no hydrogen 2.974 N/A LYS 252.A NZ ASP 200.A OD2 no hydrogen 2.699 N/A LYS 252.A NZ LEU 249.A O no hydrogen 2.737 N/A THR 254.A N LEU 166.A O no hydrogen 2.592 N/A THR 254.A OG1 THR 164.A OG1 no hydrogen 2.551 N/A THR 254.A OG1 LEU 166.A O no hydrogen 2.927 N/A LYS 255.A N LEU 166.A O no hydrogen 3.173 N/A LYS 255.A NZ GLU 161.A O no hydrogen 3.019 N/A LYS 255.A NZ LEU 163.A O no hydrogen 2.816 N/A VAL 256.A N PRO 31.A O no hydrogen 3.019 N/A LEU 257.A N GLY 168.A O no hydrogen 2.870 N/A SER 258.A N VAL 33.A O no hydrogen 3.412 N/A SER 258.A OG VAL 33.A O no hydrogen 2.758 N/A TYR 261.A N SER 258.A O no hydrogen 2.844 N/A TYR 261.A OH GLU 161.A OE2 no hydrogen 3.187 N/A LEU 262.A N PRO 259.A O no hydrogen 3.105 N/A TRP 263.A N PHE 279.A O no hydrogen 3.016 N/A TRP 263.A NE1 GLY 269.A O no hydrogen 2.707 N/A LEU 267.A N ASP 264.A OD1 no hydrogen 3.079 N/A LEU 268.A N ASP 264.A O no hydrogen 2.958 N/A GLY 269.A N GLN 265.A O no hydrogen 2.909 N/A TRP 270.A NE1 LEU 274.A O no hydrogen 2.642 N/A LEU 274.A N PRO 271.A O no hydrogen 3.061 N/A LYS 276.A NZ ASP 156.A OD1 no hydrogen 2.753 N/A ARG 278.A N GLU 260.A O no hydrogen 3.105 N/A ARG 278.A NE GLU 260.A OE1 no hydrogen 3.148 N/A ARG 278.A NH1 HIS 157.A O no hydrogen 2.867 N/A ARG 278.A NH2 GLU 35.A OE1 no hydrogen 3.052 N/A ARG 278.A NH2 GLU 260.A OE1 no hydrogen 3.206 N/A THR 280.A N GLU 153.A O no hydrogen 3.070 N/A ALA 281.A N TRP 263.A O no hydrogen 2.981 N/A VAL 282.A N ASP 151.A O no hydrogen 2.769 N/A LYS 284.A NZ ASP 151.A OD2 no hydrogen 2.802 N/A ALA 288.A N ASN 285.A OD1 no hydrogen 3.307 N/A VAL 289.A N ASN 285.A O no hydrogen 3.124 N/A ARG 290.A NE TYR 64.A OH no hydrogen 3.437 N/A ASN 291.A N ALA 288.A O no hydrogen 3.235 N/A