Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dai_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A N ASN 16.A OD1 no hydrogen 2.827 N/A TRP 2.A NE1 GLU 239.A OE1 no hydrogen 3.028 N/A LEU 6.A N LEU 13.A O no hydrogen 2.765 N/A ARG 7.A NE THR 12.A OG1 no hydrogen 2.782 N/A ARG 7.A NH2 GLY 9.A O no hydrogen 2.812 N/A CYS 8.A N TYR 11.A O no hydrogen 2.874 N/A CYS 8.A SG LEU 6.A O no hydrogen 3.845 N/A TYR 11.A N CYS 8.A O no hydrogen 3.119 N/A LEU 13.A N LEU 6.A O no hydrogen 2.910 N/A ASN 16.A ND2 TRP 2.A O no hydrogen 2.867 N/A LYS 18.A NZ HIS 57.A NE2 no hydrogen 2.590 N/A THR 19.A N ASP 257.A OD1 no hydrogen 2.903 N/A THR 19.A OG1 ASP 257.A OD1 no hydrogen 3.213 N/A THR 19.A OG1 ASP 257.A OD2 no hydrogen 2.676 N/A LEU 20.A N GLU 239.A O no hydrogen 2.860 N/A ILE 21.A N HIS 57.A ND1 no hydrogen 2.839 N/A MET 22.A N VAL 241.A O no hydrogen 3.059 N/A GLY 23.A N ILE 58.A O no hydrogen 2.913 N/A ILE 24.A N VAL 243.A O no hydrogen 3.094 N/A LEU 25.A N ASP 60.A O no hydrogen 2.981 N/A ASN 26.A N HIS 47.A ND1 no hydrogen 2.958 N/A SER 33.A OG GLU 40.A OE1 no hydrogen 3.191 N/A GLY 35.A N SER 33.A OG no hydrogen 3.131 N/A SER 37.A OG GLU 40.A OE1 no hydrogen 3.307 N/A ASN 39.A ND2 ASP 30.A OD2 no hydrogen 3.368 N/A VAL 41.A N SER 37.A O no hydrogen 3.264 N/A ASP 42.A N TYR 38.A O no hydrogen 2.887 N/A ALA 43.A N ASN 39.A O no hydrogen 2.947 N/A ALA 44.A N GLU 40.A O no hydrogen 2.968 N/A VAL 45.A N VAL 41.A O no hydrogen 2.951 N/A ARG 46.A N ASP 42.A O no hydrogen 2.946 N/A HIS 47.A N ALA 43.A O no hydrogen 3.168 N/A ALA 48.A N ALA 44.A O no hydrogen 2.976 N/A LYS 49.A N VAL 45.A O no hydrogen 2.943 N/A GLU 50.A N ARG 46.A O no hydrogen 2.919 N/A MET 51.A N HIS 47.A O no hydrogen 2.768 N/A ARG 52.A N ALA 48.A O no hydrogen 2.926 N/A ARG 52.A NH1 ASP 53.A OD1 no hydrogen 2.633 N/A ASP 53.A N LYS 49.A O no hydrogen 3.041 N/A GLU 54.A N GLU 50.A O no hydrogen 3.128 N/A GLU 54.A N MET 51.A O no hydrogen 3.030 N/A ALA 56.A N MET 51.A O no hydrogen 3.079 N/A HIS 57.A N ILE 21.A O no hydrogen 2.715 N/A ILE 58.A N ILE 21.A O no hydrogen 3.217 N/A ILE 59.A N PRO 85.A O no hydrogen 3.164 N/A ASP 60.A N GLY 23.A O no hydrogen 2.886 N/A ILE 61.A N SER 87.A O no hydrogen 2.899 N/A GLU 66.A N SER 63.A OG no hydrogen 3.006 N/A GLU 67.A N SER 63.A O no hydrogen 3.419 N/A ILE 68.A N GLU 65.A O no hydrogen 3.070 N/A LYS 69.A N GLU 65.A O no hydrogen 3.032 N/A ARG 70.A N GLU 66.A O no hydrogen 2.951 N/A ARG 70.A NH1 SER 33.A O no hydrogen 3.236 N/A VAL 71.A N GLU 67.A O no hydrogen 3.071 N/A VAL 72.A N ILE 68.A O no hydrogen 3.191 N/A MET 74.A N VAL 71.A O no hydrogen 3.319 N/A ILE 75.A N VAL 71.A O no hydrogen 3.096 N/A GLN 76.A N VAL 72.A O no hydrogen 3.114 N/A VAL 78.A N MET 74.A O no hydrogen 2.828 N/A SER 79.A N ILE 75.A O no hydrogen 3.113 N/A SER 79.A OG ILE 75.A O no hydrogen 2.669 N/A SER 79.A OG GLN 76.A O no hydrogen 3.031 N/A LYS 80.A N GLN 76.A O no hydrogen 3.283 N/A LYS 80.A N ALA 77.A O no hydrogen 3.177 N/A GLU 81.A N ALA 77.A O no hydrogen 2.802 N/A VAL 82.A N VAL 78.A O no hydrogen 2.759 N/A LYS 83.A NZ GLU 10.A OE1 no hydrogen 3.359 N/A LYS 83.A NZ TYR 11.A OH no hydrogen 3.473 N/A LEU 84.A N VAL 82.A O no hydrogen 2.930 N/A ILE 86.A N HIS 105.A ND1 no hydrogen 3.068 N/A SER 87.A N ILE 59.A O no hydrogen 3.004 N/A SER 87.A OG ILE 59.A O no hydrogen 3.498 N/A SER 87.A OG ASP 60.A OD2 no hydrogen 2.605 N/A ILE 88.A N ILE 106.A O no hydrogen 2.815 N/A ASP 89.A N ILE 61.A O no hydrogen 2.925 N/A THR 90.A OG1 GLU 67.A OE1 no hydrogen 2.734 N/A LYS 92.A N THR 90.A OG1 no hydrogen 3.188 N/A LYS 92.A NZ GLU 67.A OE2 no hydrogen 2.844 N/A ALA 93.A N GLU 116.A OE1 no hydrogen 2.748 N/A ALA 96.A N LYS 92.A O no hydrogen 3.179 N/A LYS 97.A N ALA 93.A O no hydrogen 3.104 N/A GLN 98.A N GLU 94.A O no hydrogen 3.009 N/A ALA 99.A N VAL 95.A O no hydrogen 2.976 N/A ILE 100.A N ALA 96.A O no hydrogen 3.214 N/A GLU 101.A N LYS 97.A O no hydrogen 3.016 N/A ALA 102.A N GLN 98.A O no hydrogen 2.842 N/A GLY 103.A N ILE 100.A O no hydrogen 3.175 N/A ALA 104.A N ALA 99.A O no hydrogen 2.763 N/A HIS 105.A N ILE 86.A O no hydrogen 2.606 N/A ILE 106.A N ILE 86.A O no hydrogen 2.934 N/A ILE 107.A N PRO 129.A O no hydrogen 3.066 N/A ASN 108.A N ILE 88.A O no hydrogen 2.934 N/A ASP 109.A N ILE 131.A O no hydrogen 3.207 N/A TRP 111.A N ASP 109.A OD2 no hydrogen 2.680 N/A GLY 112.A N ASP 109.A O no hydrogen 3.300 N/A ALA 113.A N ASP 109.A OD1 no hydrogen 2.708 N/A LYS 114.A N TRP 111.A O no hydrogen 2.943 N/A LYS 114.A NZ ASP 151.A O no hydrogen 2.872 N/A ILE 119.A N GLU 116.A O no hydrogen 2.837 N/A ALA 120.A N PRO 117.A O no hydrogen 3.180 N/A VAL 122.A N LYS 118.A O no hydrogen 3.129 N/A ALA 123.A N ILE 119.A O no hydrogen 3.009 N/A ALA 124.A N ALA 120.A O no hydrogen 2.885 N/A HIS 125.A N GLU 121.A O no hydrogen 2.796 N/A TYR 126.A N VAL 122.A O no hydrogen 3.113 N/A TYR 126.A OH GLU 101.A OE2 no hydrogen 3.247 N/A ASP 127.A N ALA 124.A O no hydrogen 3.160 N/A VAL 128.A N ALA 123.A O no hydrogen 3.158 N/A ILE 130.A N ASN 168.A O no hydrogen 2.812 N/A ILE 131.A N ILE 107.A O no hydrogen 3.049 N/A LEU 132.A N ILE 170.A O no hydrogen 2.809 N/A MET 133.A N ASP 109.A O no hydrogen 3.451 N/A HIS 134.A N ASP 172.A O no hydrogen 2.855 N/A HIS 134.A NE2 ASP 151.A OD2 no hydrogen 2.755 N/A ASN 135.A ND2 ILE 110.A O no hydrogen 3.083 N/A ARG 136.A N ASN 135.A OD1 no hydrogen 2.905 N/A ASN 138.A ND2 ASP 137.A OD1 no hydrogen 3.138 N/A ASN 140.A N ASN 138.A OD1 no hydrogen 3.265 N/A TYR 141.A OH ALA 178.A O no hydrogen 2.542 N/A ARG 142.A N ASP 147.A OD2 no hydrogen 2.837 N/A ASN 143.A N ASP 147.A OD2 no hydrogen 2.882 N/A ASP 147.A N ASN 143.A O no hydrogen 2.709 N/A MET 148.A N LEU 144.A O no hydrogen 2.767 N/A ILE 149.A N MET 145.A O no hydrogen 3.062 N/A ALA 150.A N ALA 146.A O no hydrogen 3.100 N/A ASP 151.A N ASP 147.A O no hydrogen 2.744 N/A LEU 152.A N MET 148.A O no hydrogen 2.745 N/A TYR 153.A N ILE 149.A O no hydrogen 3.016 N/A ASP 154.A N ALA 150.A O no hydrogen 3.126 N/A SER 155.A N ASP 151.A O no hydrogen 3.150 N/A SER 155.A N LEU 152.A O no hydrogen 2.766 N/A SER 155.A OG GLY 112.A O no hydrogen 2.755 N/A ILE 156.A N LEU 152.A O no hydrogen 2.984 N/A LYS 157.A N TYR 153.A O no hydrogen 2.888 N/A LYS 157.A NZ ASP 161.A OD1 no hydrogen 2.831 N/A LYS 157.A NZ ASP 161.A OD2 no hydrogen 3.246 N/A ILE 158.A N ASP 154.A O no hydrogen 3.253 N/A ALA 159.A N SER 155.A O no hydrogen 2.926 N/A LYS 160.A N ILE 156.A O no hydrogen 2.834 N/A LYS 160.A NZ ASP 166.A OD1 no hydrogen 2.723 N/A ASP 161.A N LYS 157.A O no hydrogen 2.961 N/A ALA 162.A N ILE 158.A O no hydrogen 3.180 N/A ALA 162.A N ALA 159.A O no hydrogen 3.034 N/A GLY 163.A N LYS 160.A O no hydrogen 2.931 N/A VAL 164.A N ALA 159.A O no hydrogen 3.011 N/A ARG 165.A NE ASP 127.A OD1 no hydrogen 3.521 N/A ASN 168.A N ARG 165.A O no hydrogen 2.762 N/A ILE 170.A N ILE 130.A O no hydrogen 2.856 N/A LEU 171.A N PRO 200.A O no hydrogen 2.853 N/A ASP 172.A N LEU 132.A O no hydrogen 2.990 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 2.888 N/A GLY 176.A N ASN 184.A OD1 no hydrogen 2.975 N/A PHE 177.A N GLY 174.A O no hydrogen 2.962 N/A LYS 179.A NZ HIS 134.A ND1 no hydrogen 2.874 N/A LYS 179.A NZ PRO 173.A O no hydrogen 3.424 N/A LYS 179.A NZ GLY 174.A O no hydrogen 3.205 N/A LYS 179.A NZ PHE 177.A O no hydrogen 2.833 N/A THR 180.A N GLN 183.A OE1 no hydrogen 2.962 N/A GLN 183.A N THR 180.A OG1 no hydrogen 3.099 N/A ASN 184.A N THR 180.A O no hydrogen 2.933 N/A LEU 185.A N PRO 181.A O no hydrogen 3.318 N/A GLU 186.A N GLU 182.A O no hydrogen 3.128 N/A GLU 186.A N GLN 183.A O no hydrogen 3.119 N/A ALA 187.A N GLN 183.A O no hydrogen 3.021 N/A MET 188.A N ASN 184.A O no hydrogen 3.022 N/A ARG 189.A N LEU 185.A O no hydrogen 3.139 N/A ASN 190.A N ALA 187.A O no hydrogen 3.079 N/A ASN 190.A ND2 GLU 186.A O no hydrogen 2.934 N/A LEU 191.A N MET 188.A O no hydrogen 3.480 N/A GLU 192.A N GLU 192.A OE2 no hydrogen 2.845 N/A GLN 193.A N ASN 190.A O no hydrogen 2.901 N/A LEU 194.A N LEU 191.A O no hydrogen 2.943 N/A ASN 195.A N GLU 192.A O no hydrogen 3.100 N/A ASN 195.A ND2 LYS 236.A O no hydrogen 3.136 N/A VAL 196.A N GLN 193.A O no hydrogen 3.213 N/A LEU 197.A N LEU 194.A O no hydrogen 3.031 N/A GLY 198.A N ASN 195.A O no hydrogen 3.113 N/A TYR 199.A OH ASP 166.A OD1 no hydrogen 2.721 N/A VAL 201.A N GLU 239.A OE2 no hydrogen 2.577 N/A LEU 202.A N LEU 171.A O no hydrogen 2.664 N/A LEU 203.A N PHE 240.A O no hydrogen 2.911 N/A THR 205.A OG1 THR 229.A OG1 no hydrogen 2.608 N/A SER 206.A OG HIS 244.A ND1 no hydrogen 2.522 N/A ARG 207.A N THR 226.A OG1 no hydrogen 2.830 N/A ARG 207.A NE ASP 245.A OD1 no hydrogen 3.324 N/A ARG 207.A NH2 ASP 245.A OD2 no hydrogen 2.850 N/A LYS 208.A N THR 205.A O no hydrogen 3.119 N/A ILE 211.A N LYS 208.A O no hydrogen 3.160 N/A GLY 212.A N SER 209.A O no hydrogen 2.824 N/A HIS 213.A N SER 209.A O no hydrogen 2.936 N/A VAL 214.A N PHE 210.A O no hydrogen 3.286 N/A LEU 215.A N ILE 211.A O no hydrogen 2.969 N/A GLU 221.A N PRO 218.A O no hydrogen 2.990 N/A ARG 222.A NE LEU 217.A O no hydrogen 3.054 N/A ARG 222.A NH1 ARG 207.A O no hydrogen 2.968 N/A ARG 222.A NH2 LEU 217.A O no hydrogen 3.223 N/A THR 226.A N ARG 222.A O no hydrogen 2.868 N/A THR 226.A OG1 ARG 222.A O no hydrogen 2.817 N/A GLY 227.A N LEU 223.A O no hydrogen 2.955 N/A ALA 228.A N GLU 224.A O no hydrogen 3.277 N/A THR 229.A N GLY 225.A O no hydrogen 3.288 N/A THR 229.A OG1 THR 205.A OG1 no hydrogen 2.608 N/A THR 229.A OG1 THR 226.A O no hydrogen 2.511 N/A VAL 230.A N THR 226.A O no hydrogen 2.848 N/A CYS 231.A N GLY 227.A O no hydrogen 2.779 N/A CYS 231.A SG GLY 227.A O no hydrogen 3.434 N/A LEU 232.A N ALA 228.A O no hydrogen 2.996 N/A GLY 233.A N THR 229.A O no hydrogen 2.873 N/A ILE 234.A N VAL 230.A O no hydrogen 2.861 N/A GLU 235.A N CYS 231.A O no hydrogen 2.977 N/A LYS 236.A N GLY 233.A O no hydrogen 2.971 N/A LYS 236.A NZ ARG 189.A O no hydrogen 3.496 N/A LYS 236.A NZ GLU 192.A OE2 no hydrogen 2.754 N/A GLY 237.A N ILE 234.A O no hydrogen 2.894 N/A CYS 238.A N GLY 233.A O no hydrogen 3.164 N/A CYS 238.A SG GLY 233.A O no hydrogen 3.631 N/A GLU 239.A N VAL 201.A O no hydrogen 2.918 N/A PHE 240.A N VAL 201.A O no hydrogen 3.286 N/A VAL 241.A N LEU 20.A O no hydrogen 3.266 N/A ARG 242.A N LEU 203.A O no hydrogen 2.954 N/A ARG 242.A NE ASP 60.A OD1 no hydrogen 3.001 N/A ARG 242.A NH2 ASP 60.A OD1 no hydrogen 3.507 N/A ARG 242.A NH2 ASP 89.A OD1 no hydrogen 3.354 N/A VAL 243.A N MET 22.A O no hydrogen 2.978 N/A HIS 244.A N SER 206.A OG no hydrogen 2.976 N/A HIS 244.A ND1 SER 206.A OG no hydrogen 2.522 N/A VAL 246.A N HIS 244.A O no hydrogen 2.893 N/A MET 249.A N ASP 245.A O no hydrogen 3.012 N/A SER 250.A N VAL 246.A O no hydrogen 3.057 N/A SER 250.A OG GLU 54.A O no hydrogen 3.373 N/A SER 250.A OG VAL 246.A O no hydrogen 2.718 N/A MET 252.A N GLU 248.A O no hydrogen 3.296 N/A ALA 253.A N MET 249.A O no hydrogen 2.847 N/A LYS 254.A N SER 250.A O no hydrogen 2.776 N/A MET 255.A N ARG 251.A O no hydrogen 2.801 N/A MET 256.A N MET 252.A O no hydrogen 2.850 N/A ASP 257.A N ALA 253.A O no hydrogen 2.784 N/A ALA 258.A N LYS 254.A O no hydrogen 3.005 N/A MET 259.A N MET 255.A O no hydrogen 3.109 N/A ILE 260.A N MET 256.A O no hydrogen 2.852 N/A GLY 261.A N ASP 257.A O no hydrogen 2.859 N/A LYS 262.A N ASP 257.A O no hydrogen 2.842 N/A LYS 262.A NZ THR 19.A OG1 no hydrogen 2.706 N/A LYS 262.A NZ CYS 238.A O no hydrogen 2.924 N/A