Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ci5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N ASP 5.A OD2 no hydrogen 2.929 N/A GLU 2.A N ASP 5.A OD2 no hydrogen 3.197 N/A LEU 6.A N GLU 2.A O no hydrogen 3.050 N/A ARG 7.A N SER 3.A O no hydrogen 2.846 N/A ARG 7.A NH1 GLN 203.A OE1 no hydrogen 2.903 N/A ARG 7.A NH2 GLN 203.A OE1 no hydrogen 3.171 N/A ALA 8.A N ALA 4.A O no hydrogen 2.960 N/A LEU 9.A N ASP 5.A O no hydrogen 3.044 N/A ALA 10.A N LEU 6.A O no hydrogen 3.020 N/A LYS 11.A N ARG 7.A O no hydrogen 2.906 N/A HIS 12.A N ALA 8.A O no hydrogen 2.950 N/A HIS 12.A NE2 SER 85.A O no hydrogen 2.660 N/A LEU 13.A N LEU 9.A O no hydrogen 3.016 N/A TYR 14.A N ALA 10.A O no hydrogen 3.007 N/A ASP 15.A N LYS 11.A O no hydrogen 3.038 N/A SER 16.A N HIS 12.A O no hydrogen 3.012 N/A SER 16.A OG SER 85.A OG no hydrogen 2.517 N/A TYR 17.A N LEU 13.A O no hydrogen 2.810 N/A TYR 17.A OH ASP 164.A OD1 no hydrogen 2.632 N/A ILE 18.A N.A TYR 14.A O no hydrogen 2.961 N/A ILE 18.A N.B TYR 14.A O no hydrogen 2.949 N/A LYS 19.A N ASP 15.A O no hydrogen 3.134 N/A LYS 19.A NZ ASP 15.A OD1 no hydrogen 3.405 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 2.825 N/A SER 20.A N SER 16.A O no hydrogen 2.835 N/A SER 20.A N TYR 17.A O no hydrogen 3.168 N/A SER 20.A OG SER 16.A O no hydrogen 2.852 N/A PHE 21.A N TYR 17.A O no hydrogen 2.968 N/A LYS 25.A N ASP 164.A OD1 no hydrogen 2.845 N/A LYS 25.A NZ LEU 162.A O no hydrogen 2.788 N/A ALA 26.A N ASP 164.A OD2 no hydrogen 2.967 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.151 N/A ALA 28.A N THR 24.A O no hydrogen 2.916 N/A ARG 29.A N LYS 25.A O no hydrogen 2.790 N/A ALA 30.A N ALA 26.A O no hydrogen 3.048 N/A ILE 31.A N LYS 27.A O no hydrogen 2.949 N/A LEU 32.A N ALA 28.A O no hydrogen 2.901 N/A THR 33.A N ARG 29.A O no hydrogen 2.962 N/A THR 33.A OG1 ARG 29.A O no hydrogen 2.582 N/A LYS 35.A N ALA 30.A O no hydrogen 3.011 N/A THR 37.A OG1 ASP 38.A OD1 no hydrogen 2.881 N/A ASP 38.A N LYS 35.A O no hydrogen 3.363 N/A PHE 42.A N GLN 128.A O no hydrogen 2.874 N/A ILE 44.A N PHE 130.A O no hydrogen 2.782 N/A TYR 45.A N SER 49.A OG no hydrogen 2.881 N/A ASP 46.A N SER 49.A OG no hydrogen 2.984 N/A SER 49.A N ASP 46.A OD1 no hydrogen 2.895 N/A SER 49.A OG ASP 46.A O no hydrogen 3.116 N/A SER 49.A OG ASP 46.A OD1 no hydrogen 2.563 N/A LEU 50.A N ASP 46.A O no hydrogen 3.019 N/A MET 51.A N MET 47.A O no hydrogen 3.050 N/A MET 52.A N ASN 48.A O no hydrogen 3.062 N/A GLY 53.A N SER 49.A O no hydrogen 2.763 N/A GLU 54.A N LEU 50.A O no hydrogen 3.119 N/A LYS 56.A N MET 52.A O no hydrogen 3.046 N/A ILE 57.A N GLY 53.A O no hydrogen 2.619 N/A ARG 63.A N GLU 59.A O no hydrogen 3.128 N/A ARG 63.A NH1 LYS 58.A O no hydrogen 2.196 N/A ILE 64.A N VAL 60.A O no hydrogen 2.896 N/A PHE 65.A N ALA 61.A O no hydrogen 3.008 N/A GLN 66.A N ILE 62.A O no hydrogen 2.888 N/A GLY 67.A N ARG 63.A O no hydrogen 3.095 N/A CYS 68.A N.A ILE 64.A O no hydrogen 2.936 N/A CYS 68.A N.B ILE 64.A O no hydrogen 2.954 N/A CYS 68.A N.B PHE 65.A O no hydrogen 3.010 N/A CYS 68.A SG.A ILE 64.A O no hydrogen 3.493 N/A GLN 69.A N PHE 65.A O no hydrogen 2.983 N/A GLN 69.A NE2 GLN 66.A OE1 no hydrogen 2.864 N/A GLN 69.A NE2 SER 247.A O no hydrogen 3.175 N/A PHE 70.A N GLN 66.A O no hydrogen 3.310 N/A ARG 71.A N GLY 67.A O no hydrogen 3.092 N/A ARG 71.A NH1 GLU 74.A OE1 no hydrogen 2.719 N/A SER 72.A N CYS 68.A O.A no hydrogen 2.887 N/A SER 72.A N CYS 68.A O.B no hydrogen 2.922 N/A VAL 73.A N GLN 69.A O no hydrogen 2.830 N/A GLU 74.A N PHE 70.A O no hydrogen 3.079 N/A ALA 75.A N ARG 71.A O no hydrogen 2.849 N/A VAL 76.A N SER 72.A O no hydrogen 2.892 N/A GLN 77.A N VAL 73.A O no hydrogen 3.042 N/A GLU 78.A N GLU 74.A O no hydrogen 2.953 N/A ILE 79.A N ALA 75.A O no hydrogen 2.800 N/A THR 80.A N VAL 76.A O no hydrogen 2.892 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.797 N/A GLU 81.A N GLN 77.A O no hydrogen 3.169 N/A TYR 82.A N GLU 78.A O no hydrogen 3.022 N/A TYR 82.A OH ALA 168.A O no hydrogen 2.596 N/A ALA 83.A N ILE 79.A O no hydrogen 2.784 N/A LYS 84.A N THR 80.A O no hydrogen 3.104 N/A SER 85.A N TYR 82.A O no hydrogen 2.892 N/A SER 85.A OG SER 16.A OG no hydrogen 2.517 N/A SER 85.A OG TYR 82.A O no hydrogen 2.591 N/A ILE 86.A N ALA 83.A O no hydrogen 3.024 N/A PHE 89.A N ILE 86.A O no hydrogen 2.945 N/A ASN 91.A N GLY 88.A O no hydrogen 3.142 N/A LEU 92.A N PHE 89.A O no hydrogen 3.120 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.777 N/A ASN 95.A ND2 ASP 93.A OD1 no hydrogen 2.929 N/A GLN 97.A N ASP 93.A O no hydrogen 3.001 N/A GLN 97.A NE2 LEU 92.A O no hydrogen 2.761 N/A VAL 98.A N LEU 94.A O no hydrogen 3.016 N/A THR 99.A N ASN 95.A O no hydrogen 2.964 N/A THR 99.A OG1 ASN 95.A O no hydrogen 3.161 N/A LEU 100.A N ASP 96.A O no hydrogen 2.876 N/A LEU 101.A N GLN 97.A O no hydrogen 3.057 N/A LYS 102.A N VAL 98.A O no hydrogen 2.811 N/A LYS 102.A NZ ILE 255.A O no hydrogen 2.808 N/A LYS 102.A NZ LYS 257.A O no hydrogen 2.655 N/A TYR 103.A N THR 99.A O no hydrogen 3.103 N/A GLY 104.A N LEU 100.A O no hydrogen 2.898 N/A GLY 104.A N LEU 101.A O no hydrogen 3.282 N/A VAL 105.A N LEU 101.A O no hydrogen 3.000 N/A ILE 108.A N GLY 104.A O no hydrogen 3.023 N/A ILE 109.A N VAL 105.A O no hydrogen 2.828 N/A TYR 110.A N HIS 106.A O no hydrogen 2.976 N/A THR 111.A N GLU 107.A O no hydrogen 3.151 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.922 N/A MET 112.A N ILE 108.A O no hydrogen 2.892 N/A LEU 113.A N ILE 109.A O no hydrogen 2.728 N/A ALA 114.A N THR 111.A O no hydrogen 3.259 N/A SER 115.A N MET 112.A O no hydrogen 2.986 N/A LEU 116.A N LEU 113.A O no hydrogen 2.899 N/A MET 117.A N ALA 114.A O no hydrogen 3.083 N/A ASN 118.A N GLY 121.A O no hydrogen 3.068 N/A LYS 119.A NZ ASP 120.A OD1 no hydrogen 3.053 N/A LYS 119.A NZ ASP 120.A OD2 no hydrogen 2.982 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 2.838 N/A GLY 121.A N ASN 118.A O no hydrogen 3.444 N/A VAL 122.A N MET 131.A O no hydrogen 2.945 N/A LEU 123.A N LEU 116.A O no hydrogen 2.893 N/A ILE 124.A N GLY 129.A O no hydrogen 2.850 N/A SER 125.A OG.A GLN 128.A OE1 no hydrogen 3.087 N/A GLY 127.A N ILE 124.A O no hydrogen 3.041 N/A GLN 128.A N SER 125.A O.A no hydrogen 3.041 N/A GLN 128.A N SER 125.A O.B no hydrogen 3.001 N/A GLY 129.A N ILE 124.A O no hydrogen 3.070 N/A PHE 130.A N PHE 42.A O no hydrogen 2.773 N/A MET 131.A N VAL 122.A O no hydrogen 2.884 N/A THR 132.A N ILE 44.A O no hydrogen 2.977 N/A ARG 133.A N ASP 120.A O no hydrogen 2.911 N/A ARG 133.A NE GLU 148.A OE1 no hydrogen 2.976 N/A ARG 133.A NE GLU 148.A OE2 no hydrogen 3.145 N/A ARG 133.A NH1 LYS 119.A O no hydrogen 3.162 N/A ARG 133.A NH2 GLU 148.A OE2 no hydrogen 2.671 N/A PHE 135.A N THR 132.A OG1 no hydrogen 3.118 N/A LEU 136.A N THR 132.A O no hydrogen 3.102 N/A LYS 137.A N ARG 133.A O no hydrogen 2.939 N/A SER 138.A N PHE 135.A O no hydrogen 3.007 N/A SER 138.A OG PHE 135.A O no hydrogen 2.628 N/A LEU 139.A N LEU 136.A O no hydrogen 3.355 N/A ARG 140.A NE GLU 59.A OE1 no hydrogen 2.765 N/A ARG 140.A NH1 LYS 141.A O no hydrogen 3.281 N/A ARG 140.A NH1 GLU 243.A OE2 no hydrogen 3.155 N/A ARG 140.A NH2 GLU 59.A OE2 no hydrogen 2.396 N/A ARG 140.A NH2 GLU 243.A OE2 no hydrogen 2.878 N/A GLY 144.A N ARG 140.A O no hydrogen 3.175 N/A ASP 145.A N PRO 142.A O no hydrogen 3.036 N/A PHE 146.A N PHE 143.A O no hydrogen 3.399 N/A LYS 150.A NZ PHE 146.A O no hydrogen 2.828 N/A LYS 150.A NZ HIS 232.A ND1 no hydrogen 2.791 N/A PHE 151.A N MET 147.A O no hydrogen 2.945 N/A GLU 152.A N GLU 148.A O no hydrogen 2.931 N/A PHE 153.A N PRO 149.A O no hydrogen 3.033 N/A ALA 154.A N LYS 150.A O no hydrogen 2.917 N/A VAL 155.A N PHE 151.A O no hydrogen 3.066 N/A LYS 156.A N GLU 152.A O no hydrogen 3.489 N/A PHE 157.A N PHE 153.A O no hydrogen 2.746 N/A ASN 158.A N ALA 154.A O no hydrogen 2.641 N/A ASN 158.A ND2 ALA 114.A O no hydrogen 3.027 N/A ALA 159.A N VAL 155.A O no hydrogen 3.307 N/A LEU 160.A N PHE 157.A O no hydrogen 3.038 N/A GLU 161.A N ASN 158.A O no hydrogen 2.984 N/A ASP 163.A N ASP 166.A OD2 no hydrogen 2.844 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.618 N/A ASP 166.A N ASP 163.A OD1 no hydrogen 3.095 N/A LEU 167.A N ASP 163.A O no hydrogen 2.953 N/A ALA 168.A N ASP 164.A O no hydrogen 2.881 N/A ILE 169.A N ASP 166.A O no hydrogen 3.156 N/A PHE 170.A N ASP 166.A O no hydrogen 3.101 N/A ILE 171.A N LEU 167.A O no hydrogen 2.843 N/A ALA 172.A N ALA 168.A O no hydrogen 3.366 N/A VAL 173.A N ILE 169.A O no hydrogen 2.935 N/A ILE 174.A N PHE 170.A O no hydrogen 3.042 N/A ILE 175.A N ILE 171.A O no hydrogen 3.124 N/A LEU 176.A N ALA 172.A O no hydrogen 3.109 N/A SER 177.A OG ILE 174.A O no hydrogen 2.566 N/A ARG 180.A NH1 GLU 107.A OE2 no hydrogen 2.979 N/A ARG 180.A NH2 GLU 107.A OE1 no hydrogen 2.891 N/A ARG 180.A NH2 ILE 174.A O no hydrogen 3.243 N/A LEU 183.A N ARG 180.A O no hydrogen 3.459 N/A LEU 184.A N ASP 96.A OD1 no hydrogen 2.785 N/A LEU 184.A N ASP 96.A OD2 no hydrogen 3.339 N/A ASN 185.A N ASP 96.A OD2 no hydrogen 2.937 N/A GLU 190.A N VAL 186.A O no hydrogen 2.952 N/A ASP 191.A N LYS 187.A O no hydrogen 2.813 N/A ILE 192.A N PRO 188.A O no hydrogen 3.249 N/A GLN 193.A N ILE 189.A O no hydrogen 2.900 N/A GLN 193.A NE2 VAL 173.A O no hydrogen 3.005 N/A ASP 194.A N GLU 190.A O no hydrogen 2.819 N/A ASN 195.A N ASP 191.A O no hydrogen 3.391 N/A LEU 196.A N ILE 192.A O no hydrogen 2.984 N/A LEU 197.A N GLN 193.A O no hydrogen 2.726 N/A GLN 198.A N ASP 194.A O no hydrogen 3.058 N/A ALA 199.A N ASN 195.A O no hydrogen 2.929 N/A LEU 200.A N LEU 196.A O no hydrogen 2.789 N/A GLU 201.A N LEU 197.A O no hydrogen 2.907 N/A LEU 202.A N GLN 198.A O no hydrogen 3.068 N/A GLN 203.A N ALA 199.A O no hydrogen 2.918 N/A GLN 203.A NE2 ASP 166.A OD1 no hydrogen 3.091 N/A LEU 204.A N LEU 200.A O no hydrogen 2.887 N/A LYS 205.A N GLU 201.A O no hydrogen 3.035 N/A LEU 206.A N LEU 202.A O no hydrogen 2.968 N/A ASN 207.A N GLN 203.A O no hydrogen 2.874 N/A ASN 207.A ND2 ASP 163.A OD2 no hydrogen 2.683 N/A ASN 207.A ND2 ASP 166.A OD1 no hydrogen 2.998 N/A ASN 207.A ND2 ASP 166.A OD2 no hydrogen 3.345 N/A HIS 208.A N LEU 204.A O no hydrogen 2.982 N/A HIS 208.A NE2 ASP 166.A OD2 no hydrogen 2.560 N/A SER 211.A N HIS 208.A O no hydrogen 2.807 N/A LEU 214.A N SER 211.A O no hydrogen 3.344 N/A LYS 217.A N GLN 213.A O no hydrogen 3.222 N/A LEU 218.A N LEU 214.A O no hydrogen 2.811 N/A LEU 219.A N PHE 215.A O no hydrogen 3.034 N/A GLN 220.A N ALA 216.A O no hydrogen 2.930 N/A LYS 221.A N LEU 218.A O no hydrogen 3.035 N/A LYS 221.A NZ LYS 217.A O no hydrogen 3.339 N/A MET 222.A N LEU 219.A O no hydrogen 3.245 N/A THR 223.A OG1 GLN 220.A O no hydrogen 3.414 N/A ASP 224.A N LYS 221.A O no hydrogen 3.088 N/A ARG 226.A NH1 ASP 179.A OD2 no hydrogen 2.700 N/A ARG 226.A NH2 ASP 179.A OD1 no hydrogen 2.849 N/A ARG 226.A NH2 ASP 179.A OD2 no hydrogen 3.268 N/A ILE 228.A N ASP 224.A O no hydrogen 2.902 N/A VAL 229.A N LEU 225.A O no hydrogen 3.103 N/A THR 230.A N ARG 226.A O no hydrogen 2.915 N/A THR 230.A OG1 ARG 226.A O no hydrogen 3.071 N/A GLU 231.A N GLN 227.A O no hydrogen 3.060 N/A HIS 232.A N ILE 228.A O no hydrogen 2.897 N/A VAL 233.A N VAL 229.A O no hydrogen 2.939 N/A GLN 234.A N THR 230.A O no hydrogen 3.361 N/A LEU 235.A N GLU 231.A O no hydrogen 3.257 N/A LEU 236.A N HIS 232.A O no hydrogen 2.962 N/A GLN 237.A N VAL 233.A O no hydrogen 2.958 N/A VAL 238.A N GLN 234.A O no hydrogen 3.260 N/A ILE 239.A N LEU 235.A O no hydrogen 3.153 N/A LYS 240.A N LEU 236.A O no hydrogen 2.987 N/A LYS 241.A N GLN 237.A O no hydrogen 3.348 N/A THR 242.A N VAL 238.A O no hydrogen 2.956 N/A THR 242.A N ILE 239.A O no hydrogen 3.261 N/A THR 242.A OG1 VAL 238.A O no hydrogen 3.095 N/A GLU 243.A N ILE 239.A O no hydrogen 2.905 N/A MET 246.A N GLU 243.A O no hydrogen 3.074 N/A HIS 249.A N GLN 69.A OE1 no hydrogen 2.810 N/A LEU 251.A N HIS 249.A ND1 no hydrogen 3.009 N/A GLN 253.A N HIS 249.A O no hydrogen 2.714 N/A GLU 254.A N PRO 250.A O no hydrogen 2.977 N/A ILE 255.A N LEU 251.A O no hydrogen 3.144 N/A TYR 256.A N LEU 252.A O no hydrogen 2.993 N/A LYS 257.A N GLN 253.A O no hydrogen 2.983 N/A LYS 257.A N GLU 254.A O no hydrogen 3.311 N/A LEU 259.A N TYR 256.A O no hydrogen 3.194 N/A TYR 260.A N TYR 103.A OH no hydrogen 3.181 N/A