Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ LEU 38.A O no hydrogen 2.837 N/A LYS 2.A NZ GLN 91.A O no hydrogen 3.486 N/A MET 3.A N ASP 41.A O no hydrogen 2.820 N/A SER 4.A N PHE 94.A O no hydrogen 2.840 N/A ILE 5.A N ARG 43.A O no hydrogen 2.933 N/A VAL 6.A N LEU 96.A O no hydrogen 2.747 N/A LEU 7.A N GLU 45.A O no hydrogen 2.891 N/A ALA 8.A N ILE 98.A O no hydrogen 2.975 N/A SER 11.A OG SER 11.A O no hydrogen 2.633 N/A SER 11.A OG HIS 16.A O no hydrogen 2.926 N/A GLN 14.A NE2 SER 17.A O no hydrogen 3.007 N/A SER 17.A OG GLU 54.A OE1 no hydrogen 3.166 N/A GLY 18.A N GLU 20.A OE2 no hydrogen 3.241 N/A LEU 21.A N GLY 18.A O no hydrogen 3.394 N/A TYR 25.A N LEU 21.A O no hydrogen 2.920 N/A LEU 26.A N GLY 22.A O no hydrogen 2.807 N/A LEU 27.A N PRO 23.A O no hydrogen 3.100 N/A LYS 28.A N ASP 24.A O no hydrogen 2.985 N/A LYS 28.A N TYR 25.A O no hydrogen 3.135 N/A LYS 28.A NZ ASP 24.A O no hydrogen 3.171 N/A GLN 29.A N TYR 25.A O no hydrogen 3.192 N/A GLN 29.A N LEU 26.A O no hydrogen 2.877 N/A GLN 29.A NE2 TYR 25.A O no hydrogen 3.475 N/A GLY 30.A N LEU 27.A O no hydrogen 3.155 N/A LEU 31.A N LEU 26.A O no hydrogen 3.380 N/A GLN 32.A NE2 THR 42.A O no hydrogen 3.395 N/A GLN 32.A NE2 THR 42.A OG1 no hydrogen 2.937 N/A GLN 33.A N GLN 33.A OE1 no hydrogen 2.406 N/A ASP 34.A N GLY 30.A O no hydrogen 2.848 N/A MET 35.A N LEU 31.A O no hydrogen 3.046 N/A GLU 36.A N GLN 32.A O no hydrogen 2.878 N/A LYS 37.A N GLN 33.A O no hydrogen 2.858 N/A LEU 38.A N ASP 34.A O no hydrogen 2.961 N/A GLY 39.A N GLU 36.A O no hydrogen 2.741 N/A TRP 40.A N MET 35.A O no hydrogen 2.916 N/A ASP 41.A N LYS 1.A O no hydrogen 2.954 N/A THR 42.A N GLU 36.A OE1 no hydrogen 3.253 N/A ARG 43.A N MET 3.A O no hydrogen 2.919 N/A GLU 45.A N ILE 5.A O no hydrogen 3.159 N/A ARG 46.A NH2 ASP 24.A OD2 no hydrogen 2.930 N/A VAL 47.A N LEU 7.A O no hydrogen 3.506 N/A VAL 52.A N ASP 49.A OD2 no hydrogen 2.589 N/A VAL 53.A N ASP 49.A O no hydrogen 3.101 N/A GLU 54.A N GLY 50.A O no hydrogen 2.837 N/A ALA 55.A N LYS 51.A O no hydrogen 3.134 N/A ARG 56.A N VAL 52.A O no hydrogen 2.983 N/A ARG 56.A NH1 GLU 76.A OE1 no hydrogen 2.567 N/A ARG 56.A NH1 GLU 76.A OE2 no hydrogen 3.411 N/A ARG 56.A NH2 GLU 76.A OE2 no hydrogen 3.346 N/A LYS 57.A N VAL 53.A O no hydrogen 2.807 N/A LYS 57.A NZ HIS 16.A O no hydrogen 2.568 N/A ALA 58.A N GLU 54.A O no hydrogen 3.183 N/A SER 59.A N ALA 55.A O no hydrogen 3.275 N/A SER 59.A OG ARG 56.A O no hydrogen 3.098 N/A ASP 60.A N ARG 56.A O no hydrogen 2.919 N/A ASP 60.A N SER 59.A OG no hydrogen 2.533 N/A ARG 64.A NH1 ARG 67.A O no hydrogen 3.080 N/A ILE 65.A N VAL 68.A O no hydrogen 3.124 N/A ARG 67.A NE THR 136.A O no hydrogen 2.848 N/A ARG 67.A NH2 SER 134.A O no hydrogen 3.025 N/A ARG 67.A NH2 THR 136.A O no hydrogen 2.777 N/A LYS 69.A N GLY 139.A O no hydrogen 3.026 N/A LYS 69.A NZ SER 138.A O no hydrogen 2.872 N/A ARG 70.A N ASP 63.A O no hydrogen 2.612 N/A ARG 70.A NE LYS 57.A O no hydrogen 3.235 N/A ARG 70.A NH2 LYS 57.A O no hydrogen 2.603 N/A ARG 72.A N ASP 63.A OD1 no hydrogen 2.741 N/A ARG 72.A NH2 ASP 60.A OD2 no hydrogen 3.020 N/A LEU 73.A N ASP 63.A OD2 no hydrogen 2.663 N/A THR 74.A N ARG 70.A O no hydrogen 2.837 N/A THR 74.A OG1 ARG 70.A O no hydrogen 2.644 N/A ALA 75.A N PRO 71.A O no hydrogen 2.764 N/A GLU 76.A N ARG 72.A O no hydrogen 2.868 N/A CYS 77.A N LEU 73.A O no hydrogen 3.147 N/A CYS 77.A SG LEU 73.A O no hydrogen 3.679 N/A THR 78.A N THR 74.A O no hydrogen 3.184 N/A THR 78.A OG1 THR 74.A O no hydrogen 2.599 N/A THR 78.A OG1 ALA 75.A O no hydrogen 3.497 N/A LYS 80.A N CYS 77.A O no hydrogen 2.975 N/A LYS 80.A NZ GLU 76.A OE2 no hydrogen 3.517 N/A ILE 81.A N CYS 77.A O no hydrogen 3.132 N/A TYR 82.A N THR 78.A O no hydrogen 2.962 N/A LYS 83.A N GLU 79.A O no hydrogen 3.061 N/A CYS 84.A N LYS 80.A O no hydrogen 2.970 N/A VAL 85.A N ILE 81.A O no hydrogen 2.774 N/A ARG 86.A N TYR 82.A O no hydrogen 2.704 N/A ARG 86.A NE GLU 90.A OE2 no hydrogen 3.465 N/A ARG 86.A NH2 TYR 82.A OH no hydrogen 2.521 N/A ARG 87.A N LYS 83.A O no hydrogen 3.060 N/A VAL 88.A N CYS 84.A O no hydrogen 2.942 N/A ALA 89.A N VAL 85.A O no hydrogen 3.066 N/A GLU 90.A N ARG 86.A O no hydrogen 2.943 N/A GLN 91.A N ARG 87.A O no hydrogen 2.675 N/A GLY 92.A N ALA 89.A O no hydrogen 2.749 N/A ARG 93.A N VAL 88.A O no hydrogen 2.836 N/A ARG 93.A NE SER 4.A OG no hydrogen 3.065 N/A ARG 93.A NH1 ASP 41.A OD2 no hydrogen 2.905 N/A PHE 94.A N LYS 2.A O no hydrogen 2.983 N/A LEU 96.A N SER 4.A O no hydrogen 2.995 N/A THR 97.A N LEU 272.A O no hydrogen 2.842 N/A ILE 98.A N VAL 6.A O no hydrogen 2.787 N/A GLY 99.A N VAL 274.A O no hydrogen 3.006 N/A GLY 100.A N VAL 19.A O no hydrogen 2.680 N/A ASP 101.A N PHE 10.A O no hydrogen 3.079 N/A HIS 102.A N GLU 276.A OE1 no hydrogen 2.791 N/A HIS 102.A ND1 ASP 125.A OD2 no hydrogen 3.041 N/A HIS 102.A NE2 SER 229.A OG no hydrogen 2.653 N/A SER 103.A N ASP 101.A OD2 no hydrogen 2.660 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 3.406 N/A SER 103.A OG ASP 101.A OD2 no hydrogen 2.455 N/A ILE 104.A N ASP 101.A O no hydrogen 3.511 N/A ALA 105.A N HIS 102.A O no hydrogen 3.297 N/A LEU 106.A N SER 103.A O no hydrogen 3.281 N/A GLY 107.A N ILE 104.A O no hydrogen 2.899 N/A THR 108.A N ILE 104.A O no hydrogen 3.133 N/A THR 108.A OG1 ASP 273.A OD2 no hydrogen 2.730 N/A VAL 109.A N ALA 105.A O no hydrogen 3.111 N/A GLY 111.A N GLY 107.A O no hydrogen 2.979 N/A VAL 112.A N THR 108.A O no hydrogen 2.817 N/A LEU 113.A N VAL 109.A O no hydrogen 2.889 N/A SER 114.A N ALA 110.A O no hydrogen 3.004 N/A SER 114.A OG ALA 110.A O no hydrogen 2.531 N/A HIS 116.A N VAL 112.A O no hydrogen 2.707 N/A ASP 118.A N ASP 118.A OD1 no hydrogen 2.609 N/A ALA 119.A N HIS 116.A O no hydrogen 3.072 N/A GLY 120.A N PRO 225.A O no hydrogen 2.799 N/A VAL 121.A N LYS 172.A O no hydrogen 2.633 N/A ILE 122.A N MET 227.A O no hydrogen 2.798 N/A TRP 123.A N ALA 174.A O no hydrogen 2.778 N/A TRP 123.A NE1 ASP 129.A OD2 no hydrogen 3.076 N/A VAL 124.A N SER 229.A O no hydrogen 3.068 N/A ASP 125.A N ILE 176.A O no hydrogen 3.123 N/A HIS 127.A N ASP 125.A OD1 no hydrogen 2.825 N/A ILE 130.A N GLU 185.A OE2 no hydrogen 2.898 N/A ASN 131.A N GLY 143.A O no hydrogen 2.949 N/A ASN 131.A ND2 ASP 182.A OD2 no hydrogen 2.853 N/A SER 134.A N ASP 153.A OD2 no hydrogen 3.182 N/A SER 134.A OG ASP 153.A OD1 no hydrogen 3.313 N/A SER 134.A OG ASP 153.A OD2 no hydrogen 2.872 N/A GLY 135.A N THR 132.A OG1 no hydrogen 2.906 N/A THR 136.A N THR 132.A O no hydrogen 2.723 N/A GLY 139.A N THR 136.A OG1 no hydrogen 2.721 N/A ASN 140.A N SER 138.A OG no hydrogen 3.383 N/A GLY 143.A N ASN 140.A O no hydrogen 3.103 N/A CYS 144.A N LEU 141.A O no hydrogen 3.074 N/A CYS 144.A SG ASN 140.A O no hydrogen 3.823 N/A LEU 146.A N ASP 129.A O no hydrogen 2.971 N/A SER 147.A N CYS 144.A O no hydrogen 3.225 N/A SER 147.A OG ASN 131.A O no hydrogen 2.548 N/A SER 147.A OG CYS 144.A O no hydrogen 2.662 N/A ILE 148.A N CYS 144.A O no hydrogen 3.440 N/A ILE 148.A N PRO 145.A O no hydrogen 3.034 N/A LEU 149.A N PRO 145.A O no hydrogen 3.112 N/A LEU 150.A N LEU 146.A O no hydrogen 2.967 N/A GLY 151.A N ILE 148.A O no hydrogen 3.165 N/A LEU 152.A N SER 147.A O no hydrogen 2.753 N/A ASN 156.A N ASP 153.A O no hydrogen 3.132 N/A ILE 157.A N ARG 154.A O no hydrogen 2.756 N/A PHE 161.A N PRO 158.A O no hydrogen 3.244 N/A SER 162.A N GLU 159.A O no hydrogen 2.968 N/A SER 162.A OG GLU 159.A O no hydrogen 3.128 N/A VAL 164.A N PHE 161.A O no hydrogen 3.358 N/A GLN 166.A NE2 ILE 148.A O no hydrogen 3.521 N/A LYS 172.A N LYS 169.A O no hydrogen 2.794 N/A LYS 172.A NZ ASP 118.A O no hydrogen 2.893 N/A LYS 172.A NZ VAL 218.A O no hydrogen 2.771 N/A ALA 174.A N VAL 121.A O no hydrogen 2.811 N/A TYR 175.A N ALA 195.A O no hydrogen 2.860 N/A TYR 175.A OH ALA 128.A O no hydrogen 2.578 N/A ILE 176.A N TRP 123.A O no hydrogen 3.050 N/A GLY 177.A N PHE 197.A O no hydrogen 2.836 N/A ARG 179.A N ALA 126.A O no hydrogen 2.951 N/A ARG 179.A NH1 GLY 177.A O no hydrogen 3.544 N/A ARG 179.A NH1 THR 234.A O no hydrogen 3.039 N/A ARG 179.A NH2 ASP 233.A O no hydrogen 3.220 N/A ALA 180.A N ALA 126.A O no hydrogen 2.911 N/A ASP 182.A N GLU 185.A OE1 no hydrogen 2.969 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.666 N/A LYS 186.A N ASP 182.A O no hydrogen 2.916 N/A LYS 187.A N ASP 183.A O no hydrogen 3.257 N/A ILE 188.A N GLU 184.A O no hydrogen 3.171 N/A LEU 189.A N GLU 185.A O no hydrogen 2.981 N/A HIS 190.A N LYS 186.A O no hydrogen 3.221 N/A ASP 191.A N LYS 187.A O no hydrogen 2.778 N/A LEU 192.A N ILE 188.A O no hydrogen 2.951 N/A ASN 193.A N HIS 190.A O no hydrogen 2.930 N/A ILE 194.A N LEU 189.A O no hydrogen 2.867 N/A PHE 197.A N TYR 175.A O no hydrogen 2.908 N/A MET 199.A N LEU 178.A O no hydrogen 2.833 N/A HIS 200.A N SER 198.A OG no hydrogen 3.131 N/A VAL 202.A N SER 198.A O no hydrogen 3.436 N/A ASP 203.A N MET 199.A O no hydrogen 2.886 N/A ARG 204.A N HIS 200.A O no hydrogen 2.724 N/A ARG 204.A NH2 HIS 200.A NE2 no hydrogen 3.515 N/A TYR 205.A N HIS 201.A O no hydrogen 2.664 N/A GLY 206.A N VAL 202.A O no hydrogen 2.680 N/A VAL 210.A N GLY 206.A O no hydrogen 3.352 N/A VAL 211.A N ILE 207.A O no hydrogen 2.912 N/A SER 212.A N ASP 208.A O no hydrogen 3.061 N/A SER 212.A OG ASP 208.A O no hydrogen 3.022 N/A MET 213.A N LYS 209.A O no hydrogen 2.845 N/A ALA 214.A N VAL 210.A O no hydrogen 2.734 N/A ILE 215.A N VAL 211.A O no hydrogen 2.808 N/A GLU 216.A N SER 212.A O no hydrogen 2.915 N/A ALA 217.A N MET 213.A O no hydrogen 2.798 N/A VAL 218.A N ALA 214.A O no hydrogen 3.442 N/A SER 219.A N GLU 216.A O no hydrogen 3.113 N/A SER 219.A OG ILE 215.A O no hydrogen 3.069 N/A LYS 221.A N GLU 224.A OE2 no hydrogen 3.171 N/A THR 223.A N LYS 221.A O no hydrogen 2.518 N/A GLU 224.A N LYS 221.A O no hydrogen 3.423 N/A GLU 224.A N GLU 224.A OE2 no hydrogen 3.236 N/A VAL 226.A N ARG 268.A O no hydrogen 2.729 N/A MET 227.A N GLY 120.A O no hydrogen 2.914 N/A VAL 228.A N ALA 271.A O no hydrogen 3.451 N/A SER 229.A N ILE 122.A O no hydrogen 2.961 N/A SER 229.A OG HIS 102.A NE2 no hydrogen 2.653 N/A SER 229.A OG ASP 273.A OD2 no hydrogen 3.291 N/A TYR 230.A N ASP 273.A O no hydrogen 2.862 N/A TYR 230.A OH ALA 256.A O no hydrogen 2.750 N/A ASP 231.A N VAL 124.A O no hydrogen 2.835 N/A VAL 232.A N VAL 275.A O no hydrogen 3.232 N/A ASP 233.A N ASP 231.A OD1 no hydrogen 3.028 N/A THR 234.A N ASP 231.A O no hydrogen 3.126 N/A THR 234.A OG1 ASP 231.A O no hydrogen 2.534 N/A ILE 235.A N VAL 232.A O no hydrogen 3.303 N/A ASP 236.A N LEU 251.A O no hydrogen 2.618 N/A LEU 238.A N ASP 236.A OD1 no hydrogen 3.197 N/A TYR 239.A N ASP 236.A O no hydrogen 2.585 N/A VAL 240.A N ASP 236.A O no hydrogen 2.965 N/A THR 243.A OG1 GLU 276.A O no hydrogen 3.351 N/A THR 245.A OG1 ASP 233.A OD1 no hydrogen 2.898 N/A GLY 250.A N ASP 236.A OD2 no hydrogen 2.877 N/A LEU 251.A N THR 234.A O no hydrogen 3.060 N/A SER 252.A N GLU 255.A OE1 no hydrogen 2.768 N/A GLU 255.A N SER 252.A OG no hydrogen 2.961 N/A ALA 256.A N SER 252.A O no hydrogen 2.852 N/A LEU 257.A N PHE 253.A O no hydrogen 2.922 N/A PHE 258.A N ARG 254.A O no hydrogen 2.642 N/A LEU 259.A N GLU 255.A O no hydrogen 2.900 N/A CYS 260.A SG ALA 256.A O no hydrogen 3.289 N/A CYS 260.A SG ILE 298.A O no hydrogen 3.806 N/A GLU 261.A N LEU 257.A O no hydrogen 3.160 N/A ARG 262.A N PHE 258.A O no hydrogen 2.903 N/A ARG 262.A NH1 ASP 208.A O no hydrogen 3.100 N/A ARG 262.A NH1 ASP 208.A OD1 no hydrogen 2.698 N/A ARG 262.A NH1 SER 212.A OG no hydrogen 3.145 N/A ARG 262.A NH2 SER 212.A OG no hydrogen 3.211 N/A ILE 263.A N LEU 259.A O no hydrogen 3.053 N/A ALA 264.A N CYS 260.A O no hydrogen 2.702 N/A GLU 265.A N GLU 261.A O no hydrogen 2.734 N/A CYS 266.A N ARG 262.A O no hydrogen 2.975 N/A GLY 267.A N ALA 264.A O no hydrogen 3.066 N/A VAL 270.A N VAL 226.A O no hydrogen 2.558 N/A LEU 272.A N PRO 95.A O no hydrogen 2.974 N/A ASP 273.A N VAL 228.A O no hydrogen 3.113 N/A VAL 274.A N THR 97.A O no hydrogen 2.960 N/A VAL 275.A N TYR 230.A O no hydrogen 2.946 N/A GLU 276.A N GLY 100.A O no hydrogen 2.925 N/A CYS 277.A SG GLY 99.A O no hydrogen 3.903 N/A CYS 277.A SG VAL 274.A O no hydrogen 3.940 N/A ASN 278.A ND2 SER 17.A O no hydrogen 3.481 N/A LEU 281.A N ASN 278.A OD1 no hydrogen 2.450 N/A VAL 294.A N ASP 290.A O no hydrogen 2.293 N/A CYS 296.A N ILE 292.A O no hydrogen 3.138 N/A CYS 296.A SG LEU 26.A O no hydrogen 3.715 N/A CYS 296.A SG ILE 292.A O no hydrogen 3.116 N/A ALA 297.A N SER 293.A O no hydrogen 3.096 N/A ILE 298.A N VAL 294.A O no hydrogen 2.798 N/A ALA 299.A N GLY 295.A O no hydrogen 2.945 N/A ARG 300.A N CYS 296.A O no hydrogen 2.667 N/A ARG 300.A NE GLU 305.A OE2 no hydrogen 2.646 N/A ARG 300.A NH1 ASP 34.A OD2 no hydrogen 3.514 N/A CYS 301.A N ALA 297.A O no hydrogen 2.784 N/A CYS 301.A SG ALA 297.A O no hydrogen 2.978 N/A CYS 301.A SG GLU 305.A OE1 no hydrogen 3.885 N/A MET 302.A N ILE 298.A O no hydrogen 2.724 N/A MET 303.A N ALA 299.A O no hydrogen 2.892 N/A GLY 304.A N CYS 301.A O no hydrogen 3.074 N/A GLU 305.A N ARG 300.A O no hydrogen 2.831 N/A THR 306.A OG1 LEU 308.A O no hydrogen 2.817 N/A THR 306.A OG1 THR 310.A OG1 no hydrogen 2.813 N/A THR 310.A OG1 THR 306.A OG1 no hydrogen 2.813 N/A