Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLU 201.A OE2 no hydrogen 2.766 N/A HIS 4.A N LYS 16.A O no hydrogen 3.211 N/A ALA 6.A N TYR 14.A O no hydrogen 3.085 N/A TYR 9.A OH ASP 44.A OD2 no hydrogen 2.682 N/A ASP 10.A N GLU 41.A OE2 no hydrogen 2.999 N/A ASP 11.A N GLU 41.A OE1 no hydrogen 2.752 N/A LEU 13.A N VAL 24.A O no hydrogen 2.854 N/A TYR 14.A OH ASN 48.A OD1 no hydrogen 2.847 N/A TYR 15.A N LYS 22.A O no hydrogen 2.898 N/A LYS 16.A N HIS 4.A O no hydrogen 2.939 N/A LYS 16.A NZ ASN 48.A OD1 no hydrogen 2.814 N/A LYS 16.A NZ ASP 52.A OD2 no hydrogen 2.572 N/A ALA 17.A N ILE 20.A O no hydrogen 2.840 N/A ILE 20.A N ALA 17.A O no hydrogen 3.109 N/A ALA 21.A N VAL 57.A O no hydrogen 2.929 N/A LYS 22.A N TYR 15.A O no hydrogen 2.880 N/A LYS 22.A NZ GLU 201.A OE1 no hydrogen 2.876 N/A LYS 22.A NZ GLU 201.A OE2 no hydrogen 3.363 N/A ILE 23.A N LEU 59.A O no hydrogen 2.851 N/A VAL 24.A N LEU 13.A O no hydrogen 2.865 N/A ILE 25.A N THR 61.A O no hydrogen 2.916 N/A ASN 26.A N ASP 11.A O no hydrogen 2.848 N/A ARG 27.A N ASN 32.A OD1 no hydrogen 2.728 N/A ARG 27.A NH1 ASP 78.A OD2 no hydrogen 3.448 N/A ARG 27.A NH2 ALA 33.A O no hydrogen 3.131 N/A ARG 27.A NH2 ASP 78.A OD2 no hydrogen 3.025 N/A LYS 30.A N ARG 27.A O no hydrogen 3.019 N/A ARG 31.A N PRO 28.A O no hydrogen 3.187 N/A ARG 31.A NH1 ASP 68.A OD2 no hydrogen 3.255 N/A ARG 31.A NH2 ASP 68.A OD2 no hydrogen 2.917 N/A ASN 32.A N ARG 27.A O no hydrogen 2.766 N/A ASN 32.A ND2 ALA 63.A O no hydrogen 3.052 N/A ASN 32.A ND2 ALA 72.A O no hydrogen 2.927 N/A ALA 33.A N LYS 30.A O no hydrogen 3.093 N/A PHE 34.A N GLY 76.A O no hydrogen 2.767 N/A ARG 35.A N THR 38.A OG1 no hydrogen 2.942 N/A THR 38.A OG1 ASP 11.A OD2 no hydrogen 2.700 N/A THR 38.A OG1 ARG 35.A O no hydrogen 3.140 N/A VAL 39.A N ARG 35.A O no hydrogen 3.198 N/A PHE 40.A N PRO 36.A O no hydrogen 3.022 N/A GLU 41.A N GLN 37.A O no hydrogen 2.966 N/A LEU 42.A N THR 38.A O no hydrogen 2.814 N/A TYR 43.A N VAL 39.A O no hydrogen 2.746 N/A ASP 44.A N PHE 40.A O no hydrogen 2.881 N/A ALA 45.A N GLU 41.A O no hydrogen 2.789 N/A PHE 46.A N LEU 42.A O no hydrogen 2.836 N/A CYS 47.A N TYR 43.A O no hydrogen 2.816 N/A ASN 48.A N ASP 44.A O no hydrogen 2.838 N/A ALA 49.A N ALA 45.A O no hydrogen 2.863 N/A ARG 50.A N PHE 46.A O no hydrogen 2.777 N/A GLU 51.A N CYS 47.A O no hydrogen 2.928 N/A ASP 52.A N ASN 48.A O no hydrogen 3.012 N/A ASP 52.A N ALA 49.A O no hydrogen 3.336 N/A ARG 54.A N ASP 52.A OD1 no hydrogen 2.887 N/A ILE 55.A N ASP 52.A O no hydrogen 3.118 N/A GLY 56.A N GLY 19.A O no hydrogen 2.883 N/A VAL 57.A N GLY 19.A O no hydrogen 3.262 N/A VAL 58.A N VAL 111.A O no hydrogen 2.950 N/A LEU 59.A N ALA 21.A O no hydrogen 2.769 N/A LEU 60.A N ILE 113.A O no hydrogen 2.839 N/A THR 61.A N ILE 23.A O no hydrogen 3.008 N/A THR 61.A OG1 LEU 115.A O no hydrogen 2.771 N/A ALA 63.A N ILE 25.A O no hydrogen 2.774 N/A HIS 66.A N LYS 70.A O no hydrogen 2.938 N/A GLY 69.A N HIS 66.A O no hydrogen 2.652 N/A LYS 70.A N ASP 68.A OD1 no hydrogen 3.181 N/A PHE 73.A N TYR 119.A O no hydrogen 2.694 N/A CYS 74.A N TYR 119.A O no hydrogen 3.077 N/A CYS 74.A SG ASN 32.A O no hydrogen 3.381 N/A SER 75.A OG LYS 30.A O no hydrogen 2.903 N/A SER 75.A OG ARG 31.A O no hydrogen 3.111 N/A ASP 78.A N PHE 34.A O no hydrogen 2.829 N/A GLN 79.A NE2 GLY 77.A O no hydrogen 2.900 N/A GLN 79.A NE2 TYR 87.A OH no hydrogen 2.990 N/A SER 80.A N ASP 78.A OD1 no hydrogen 2.883 N/A SER 80.A OG ASP 78.A OD1 no hydrogen 2.657 N/A SER 80.A OG ASP 78.A OD2 no hydrogen 3.524 N/A VAL 81.A N ASP 78.A O no hydrogen 3.240 N/A ARG 82.A N GLN 79.A O no hydrogen 3.352 N/A ARG 82.A NE GLN 79.A OE1 no hydrogen 3.167 N/A ARG 82.A NH1 GLY 150.A O no hydrogen 3.340 N/A ARG 82.A NH2 GLN 79.A OE1 no hydrogen 3.124 N/A ARG 82.A NH2 GLY 150.A O no hydrogen 2.923 N/A GLY 83.A N GLY 86.A O no hydrogen 2.950 N/A TYR 87.A N ARG 95.A O no hydrogen 2.813 N/A ILE 88.A N VAL 81.A O no hydrogen 2.877 N/A ASP 89.A N THR 93.A O no hydrogen 3.177 N/A GLN 91.A N ASP 89.A OD1 no hydrogen 3.152 N/A GLY 92.A N ASP 89.A O no hydrogen 3.130 N/A THR 93.A N ASP 89.A OD1 no hydrogen 2.832 N/A THR 93.A OG1 ASP 89.A OD1 no hydrogen 2.735 N/A ARG 95.A N TYR 87.A O no hydrogen 2.878 N/A ARG 95.A NE ASP 89.A OD2 no hydrogen 2.939 N/A ARG 95.A NH2 ASP 89.A OD2 no hydrogen 3.389 N/A ASN 97.A ND2 PRO 36.A O no hydrogen 3.307 N/A LEU 99.A N LEU 96.A O no hydrogen 3.171 N/A ASP 100.A N ASN 97.A O no hydrogen 2.968 N/A LEU 101.A N ASN 97.A O no hydrogen 3.321 N/A GLN 102.A N VAL 98.A O no hydrogen 2.709 N/A GLN 102.A NE2 ASP 153.A OD2 no hydrogen 3.105 N/A ARG 103.A N LEU 99.A O no hydrogen 3.201 N/A LEU 104.A N ASP 100.A O no hydrogen 3.026 N/A ILE 105.A N LEU 101.A O no hydrogen 2.910 N/A ARG 106.A N GLN 102.A O no hydrogen 3.022 N/A ARG 106.A NE ASP 231.A OD2 no hydrogen 2.656 N/A ARG 106.A NH2 ASP 231.A OD1 no hydrogen 3.010 N/A ARG 106.A NH2 ASP 231.A OD2 no hydrogen 3.378 N/A SER 107.A N ARG 103.A O no hydrogen 2.899 N/A SER 107.A OG ARG 103.A O no hydrogen 3.174 N/A MET 108.A N LEU 104.A O no hydrogen 2.836 N/A LYS 110.A NZ ALA 49.A O no hydrogen 2.726 N/A LYS 110.A NZ ARG 50.A O no hydrogen 3.175 N/A LYS 110.A NZ ASP 52.A O no hydrogen 2.813 N/A LYS 110.A NZ ILE 55.A O no hydrogen 2.767 N/A VAL 111.A N GLY 56.A O no hydrogen 3.287 N/A VAL 112.A N ASP 132.A OD1 no hydrogen 2.936 N/A ILE 113.A N VAL 58.A O no hydrogen 2.886 N/A ALA 114.A N LEU 133.A O no hydrogen 2.889 N/A LEU 115.A N LEU 60.A O no hydrogen 2.766 N/A VAL 116.A N ILE 135.A O no hydrogen 2.893 N/A GLY 118.A N ASN 139.A OD1 no hydrogen 3.092 N/A TYR 119.A N TYR 71.A O no hydrogen 3.326 N/A ALA 120.A N ILE 141.A O no hydrogen 2.773 N/A ILE 121.A N CYS 74.A O no hydrogen 3.045 N/A GLY 122.A N GLY 143.A O no hydrogen 2.979 N/A GLY 124.A N ILE 121.A O no hydrogen 2.948 N/A HIS 125.A ND1 GLN 144.A OE1 no hydrogen 2.720 N/A VAL 126.A N GLY 122.A O no hydrogen 3.091 N/A LEU 127.A N GLY 123.A O no hydrogen 2.910 N/A HIS 128.A N GLY 124.A O no hydrogen 3.203 N/A HIS 128.A ND1 THR 134.A OG1 no hydrogen 2.793 N/A LEU 129.A N HIS 125.A O no hydrogen 3.046 N/A VAL 130.A N VAL 126.A O no hydrogen 3.052 N/A CYS 131.A SG LEU 127.A O no hydrogen 3.258 N/A LEU 133.A N VAL 112.A O no hydrogen 3.233 N/A THR 134.A N ASN 192.A OD1 no hydrogen 2.792 N/A THR 134.A OG1 HIS 128.A ND1 no hydrogen 2.793 N/A ILE 135.A N ALA 114.A O no hydrogen 2.853 N/A ALA 136.A N THR 193.A O no hydrogen 3.013 N/A ALA 137.A N VAL 116.A O no hydrogen 2.784 N/A ASP 138.A N VAL 195.A O no hydrogen 2.829 N/A ALA 140.A N ALA 137.A O no hydrogen 2.879 N/A ILE 141.A N GLY 118.A O no hydrogen 2.845 N/A PHE 142.A N TYR 180.A O no hydrogen 2.878 N/A GLY 143.A N ALA 120.A O no hydrogen 3.255 N/A GLN 144.A NE2 GLY 122.A O no hydrogen 3.106 N/A LYS 148.A N THR 145.A O no hydrogen 2.701 N/A VAL 149.A N THR 145.A O no hydrogen 3.034 N/A SER 151.A N GLY 146.A O no hydrogen 2.799 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 3.004 N/A GLY 157.A N ASP 153.A OD1 no hydrogen 3.188 N/A SER 158.A N GLY 155.A O no hydrogen 3.156 N/A SER 158.A OG ASP 153.A O no hydrogen 2.829 N/A SER 159.A N GLY 155.A O no hydrogen 3.038 N/A SER 159.A OG GLY 155.A O no hydrogen 2.858 N/A ALA 162.A N SER 158.A O no hydrogen 2.998 N/A ARG 163.A N SER 159.A O no hydrogen 3.134 N/A ARG 163.A NH1 ASP 229.A O no hydrogen 2.959 N/A ILE 164.A N LEU 161.A O no hydrogen 2.935 N/A VAL 165.A N LEU 161.A O no hydrogen 2.949 N/A GLY 166.A N ALA 162.A O no hydrogen 2.943 N/A LYS 169.A NZ GLU 172.A OE1 no hydrogen 2.852 N/A LYS 169.A NZ GLU 172.A OE2 no hydrogen 3.357 N/A ALA 170.A N GLY 166.A O no hydrogen 3.110 N/A ARG 171.A N GLN 167.A O no hydrogen 3.158 N/A ARG 171.A NE GLN 167.A OE1 no hydrogen 2.931 N/A ARG 171.A NH2 GLN 167.A OE1 no hydrogen 2.902 N/A GLU 172.A N LYS 168.A O no hydrogen 3.201 N/A ILE 173.A N LYS 169.A O no hydrogen 2.947 N/A TRP 174.A N ALA 170.A O no hydrogen 3.242 N/A TRP 174.A NE1 GLY 157.A O no hydrogen 2.767 N/A TYR 175.A N ARG 171.A O no hydrogen 2.771 N/A LEU 176.A N GLU 172.A O no hydrogen 3.123 N/A CYS 177.A N ILE 173.A O no hydrogen 3.272 N/A CYS 177.A SG TRP 174.A O no hydrogen 3.363 N/A TYR 180.A N PHE 142.A O no hydrogen 2.809 N/A TYR 180.A OH GLU 172.A OE2 no hydrogen 2.497 N/A SER 181.A N GLU 184.A OE1 no hydrogen 2.747 N/A SER 181.A OG GLU 184.A OE1 no hydrogen 3.169 N/A GLU 184.A N SER 181.A OG no hydrogen 3.149 N/A ALA 185.A N SER 181.A O no hydrogen 2.834 N/A GLU 186.A N ALA 182.A O no hydrogen 2.922 N/A ARG 187.A N GLN 183.A O no hydrogen 2.967 N/A MET 188.A N GLU 184.A O no hydrogen 3.014 N/A GLY 189.A N GLU 186.A O no hydrogen 3.081 N/A MET 190.A N ALA 185.A O no hydrogen 3.111 N/A ASN 192.A N THR 134.A O no hydrogen 2.799 N/A VAL 195.A N ALA 136.A O no hydrogen 2.954 N/A ARG 199.A N PRO 196.A O no hydrogen 2.814 N/A ARG 199.A NE GLU 203.A OE2 no hydrogen 3.256 N/A ARG 199.A NH1 GLU 203.A OE2 no hydrogen 3.164 N/A LEU 200.A N VAL 197.A O no hydrogen 3.139 N/A GLU 203.A N ARG 199.A O no hydrogen 2.945 N/A GLY 204.A N LEU 200.A O no hydrogen 2.976 N/A ILE 205.A N GLU 201.A O no hydrogen 2.848 N/A GLN 206.A N GLU 202.A O no hydrogen 2.889 N/A GLN 206.A NE2 GLU 210.A OE2 no hydrogen 2.785 N/A TRP 207.A N GLU 203.A O no hydrogen 2.923 N/A TRP 207.A NE1 GLU 203.A OE1 no hydrogen 2.882 N/A ALA 208.A N GLY 204.A O no hydrogen 2.882 N/A LYS 209.A N ILE 205.A O no hydrogen 2.910 N/A GLU 210.A N GLN 206.A O no hydrogen 3.181 N/A ILE 211.A N TRP 207.A O no hydrogen 3.114 N/A LEU 212.A N ALA 208.A O no hydrogen 2.786 N/A SER 213.A N LYS 209.A O no hydrogen 3.264 N/A SER 213.A OG GLU 210.A O no hydrogen 3.027 N/A LYS 214.A N ILE 211.A O no hydrogen 2.878 N/A LYS 214.A NZ GLU 210.A O no hydrogen 2.613 N/A ALA 218.A N SER 215.A OG no hydrogen 3.254 N/A ILE 219.A N SER 215.A O no hydrogen 3.113 N/A ARG 220.A N PRO 216.A O no hydrogen 3.053 N/A ARG 220.A NE ASN 242.A OD1 no hydrogen 2.711 N/A CYS 221.A N LEU 217.A O no hydrogen 3.135 N/A CYS 221.A SG LEU 217.A O no hydrogen 3.240 N/A LEU 222.A N ALA 218.A O no hydrogen 3.031 N/A LYS 223.A N ILE 219.A O no hydrogen 2.948 N/A LYS 223.A NZ ILE 105.A O no hydrogen 2.929 N/A LYS 223.A NZ MET 108.A O no hydrogen 3.008 N/A LYS 223.A NZ LYS 110.A O no hydrogen 2.993 N/A LYS 223.A NZ ASP 132.A OD1 no hydrogen 2.828 N/A ALA 224.A N ARG 220.A O no hydrogen 3.107 N/A ALA 225.A N CYS 221.A O no hydrogen 2.913 N/A PHE 226.A N LEU 222.A O no hydrogen 2.950 N/A ASN 227.A N LYS 223.A O no hydrogen 3.121 N/A ASN 227.A ND2 ARG 106.A O no hydrogen 2.813 N/A ASN 227.A ND2 GLU 238.A OE1 no hydrogen 2.909 N/A ALA 228.A N ALA 224.A O no hydrogen 2.849 N/A ASP 229.A N PHE 226.A O no hydrogen 3.267 N/A CYS 230.A N ASN 227.A O no hydrogen 2.948 N/A CYS 230.A SG PHE 226.A O no hydrogen 3.925 N/A ASP 231.A N ASN 227.A O no hydrogen 2.876 N/A GLY 235.A N ASP 231.A O no hydrogen 3.017 N/A LEU 236.A N GLY 232.A O no hydrogen 2.944 N/A GLN 237.A N GLN 233.A O no hydrogen 2.840 N/A GLU 238.A N ALA 234.A O no hydrogen 3.320 N/A LEU 239.A N GLY 235.A O no hydrogen 3.088 N/A ALA 240.A N LEU 236.A O no hydrogen 2.710 N/A GLY 241.A N GLN 237.A O no hydrogen 2.773 N/A ASN 242.A N GLU 238.A O no hydrogen 3.145 N/A ALA 243.A N LEU 239.A O no hydrogen 3.164 N/A THR 244.A N ALA 240.A O no hydrogen 2.919 N/A THR 244.A OG1 ALA 240.A O no hydrogen 3.154 N/A LEU 245.A N GLY 241.A O no hydrogen 2.971 N/A LEU 246.A N ASN 242.A O no hydrogen 2.982 N/A TYR 247.A N ALA 243.A O no hydrogen 2.878 N/A TYR 248.A N THR 244.A O no hydrogen 2.820 N/A MET 249.A N LEU 246.A O no hydrogen 2.987 N/A THR 250.A N TYR 247.A O no hydrogen 3.099 N/A THR 250.A OG1 TYR 247.A O no hydrogen 2.557 N/A GLY 253.A N THR 250.A OG1 no hydrogen 3.137 N/A SER 254.A N THR 250.A O no hydrogen 3.236 N/A SER 254.A OG THR 250.A O no hydrogen 3.127 N/A GLU 255.A N GLU 251.A O no hydrogen 3.013 N/A GLN 258.A N SER 254.A O no hydrogen 2.898 N/A ALA 259.A N GLU 255.A O no hydrogen 2.984 N/A PHE 260.A N GLY 256.A O no hydrogen 3.350 N/A LEU 261.A N LYS 257.A O no hydrogen 3.113 N/A GLU 262.A N GLN 258.A O no hydrogen 2.773 N/A LYS 263.A N PHE 260.A O no hydrogen 3.033 N/A ARG 264.A N ALA 259.A O no hydrogen 2.879 N/A ARG 264.A NE GLU 262.A OE1 no hydrogen 2.738 N/A ARG 264.A NH1 GLU 255.A OE2 no hydrogen 3.338 N/A ARG 264.A NH2 GLU 255.A OE1 no hydrogen 2.962 N/A ARG 264.A NH2 GLU 255.A OE2 no hydrogen 3.318 N/A ASP 267.A N GLU 255.A OE2 no hydrogen 2.642 N/A SER 269.A N ASP 267.A OD1 no hydrogen 3.181 N/A SER 269.A OG ASP 267.A OD1 no hydrogen 2.522 N/A TYR 271.A N PHE 268.A O no hydrogen 3.132 N/A TYR 271.A OH GLU 251.A OE2 no hydrogen 3.094 N/A