Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 76.A OD2 no hydrogen 3.080 N/A THR 4.A N GLN 7.A OE1 no hydrogen 2.982 N/A THR 4.A OG1 GLN 7.A OE1 no hydrogen 3.492 N/A GLN 7.A N THR 4.A OG1 no hydrogen 3.246 N/A LEU 8.A N THR 4.A O no hydrogen 3.116 N/A TYR 9.A N ARG 5.A O no hydrogen 3.041 N/A ILE 10.A N GLU 6.A O no hydrogen 2.944 N/A PHE 11.A N GLN 7.A O no hydrogen 2.870 N/A ASP 12.A N LEU 8.A O no hydrogen 2.848 N/A THR 13.A N TYR 9.A O no hydrogen 2.989 N/A THR 13.A OG1 TYR 9.A O no hydrogen 2.880 N/A THR 13.A OG1 ILE 10.A O no hydrogen 3.325 N/A THR 14.A N ILE 10.A O no hydrogen 2.787 N/A THR 14.A OG1 ILE 10.A O no hydrogen 2.827 N/A GLY 15.A N PHE 11.A O no hydrogen 2.747 N/A PHE 16.A N THR 14.A OG1 no hydrogen 3.387 N/A LEU 17.A N LEU 198.A O no hydrogen 2.759 N/A ILE 19.A N VAL 196.A O no hydrogen 2.745 N/A GLY 21.A N ASP 195.A OD1 no hydrogen 2.908 N/A PHE 23.A N GLY 194.A O no hydrogen 3.138 N/A GLY 24.A N GLU 27.A OE2 no hydrogen 2.913 N/A VAL 28.A N GLY 24.A O no hydrogen 2.987 N/A GLU 29.A N SER 25.A O no hydrogen 3.177 N/A SER 30.A N GLY 26.A O no hydrogen 2.987 N/A PHE 31.A N GLU 27.A O no hydrogen 2.935 N/A ARG 32.A N VAL 28.A O no hydrogen 3.025 N/A SER 33.A N GLU 29.A O no hydrogen 2.931 N/A SER 33.A OG GLU 29.A O no hydrogen 2.933 N/A GLU 34.A N SER 30.A O no hydrogen 3.133 N/A LEU 35.A N PHE 31.A O no hydrogen 3.165 N/A GLU 36.A N ARG 32.A O no hydrogen 2.981 N/A ARG 37.A N SER 33.A O no hydrogen 2.920 N/A ARG 37.A NE GLU 34.A OE1 no hydrogen 3.246 N/A ARG 37.A NE GLU 34.A OE2 no hydrogen 3.180 N/A ARG 37.A NH2 GLU 34.A OE2 no hydrogen 2.833 N/A LEU 38.A N GLU 34.A O no hydrogen 3.126 N/A ASP 39.A N LEU 35.A O no hydrogen 3.135 N/A THR 40.A N GLU 36.A O no hydrogen 3.229 N/A THR 40.A N ARG 37.A O no hydrogen 3.069 N/A THR 40.A OG1 GLU 36.A O no hydrogen 3.218 N/A VAL 41.A N ARG 37.A O no hydrogen 3.029 N/A ASP 42.A N LEU 38.A O no hydrogen 3.379 N/A THR 48.A OG1 THR 93.A OG1 no hydrogen 3.014 N/A ARG 49.A N ARG 91.A O no hydrogen 3.112 N/A ARG 49.A NE ARG 50.A O no hydrogen 3.191 N/A ARG 49.A NH1 ASP 39.A OD1 no hydrogen 3.132 N/A ARG 49.A NH2 ARG 50.A O no hydrogen 3.251 N/A TYR 51.A N GLY 89.A O no hydrogen 2.764 N/A TYR 51.A OH ASP 39.A OD1 no hydrogen 2.954 N/A TYR 51.A OH ASP 39.A OD2 no hydrogen 2.908 N/A LEU 54.A N GLY 87.A O no hydrogen 2.782 N/A ALA 56.A N ASP 53.A O no hydrogen 3.177 N/A ALA 57.A N ASP 53.A O no hydrogen 3.283 N/A SER 58.A N LEU 54.A O no hydrogen 2.946 N/A SER 58.A OG GLU 34.A OE2 no hydrogen 2.931 N/A PHE 61.A N SER 58.A O no hydrogen 3.053 N/A PHE 61.A N SER 58.A OG no hydrogen 3.243 N/A ALA 62.A N SER 58.A O no hydrogen 2.952 N/A ARG 63.A N PRO 59.A O no hydrogen 3.112 N/A LEU 64.A N VAL 60.A O no hydrogen 3.168 N/A ALA 65.A N PHE 61.A O no hydrogen 2.957 N/A LEU 66.A N ARG 63.A O no hydrogen 2.989 N/A ASP 67.A N LEU 64.A O no hydrogen 3.143 N/A ARG 69.A N ASP 67.A OD1 no hydrogen 2.884 N/A ARG 69.A NE ASP 67.A OD1 no hydrogen 2.923 N/A ARG 69.A NH1 VAL 22.A O no hydrogen 3.222 N/A ARG 69.A NH1 GLU 27.A OE1 no hydrogen 3.004 N/A ARG 69.A NH1 GLU 27.A OE2 no hydrogen 2.878 N/A ARG 69.A NH2 GLU 27.A OE1 no hydrogen 2.632 N/A ARG 69.A NH2 ASP 67.A OD2 no hydrogen 2.684 N/A LEU 70.A N ASP 67.A O no hydrogen 2.959 N/A LEU 71.A N ASP 67.A O no hydrogen 3.082 N/A ALA 72.A N ASP 68.A O no hydrogen 3.022 N/A VAL 74.A N LEU 70.A O no hydrogen 3.066 N/A ARG 75.A N LEU 71.A O no hydrogen 2.762 N/A ASP 76.A N ALA 72.A O no hydrogen 3.299 N/A VAL 77.A N VAL 74.A O no hydrogen 3.271 N/A VAL 78.A N VAL 74.A O no hydrogen 3.014 N/A ASN 79.A N ARG 75.A O no hydrogen 2.785 N/A ASN 79.A ND2 ASP 76.A O no hydrogen 3.077 N/A ASN 79.A ND2 LEU 130.A O no hydrogen 2.712 N/A GLN 80.A NE2 ASN 79.A O no hydrogen 2.917 N/A ARG 83.A N GLY 224.A O no hydrogen 2.778 N/A ARG 83.A NH1 PHE 228.A O no hydrogen 2.746 N/A LEU 85.A N GLY 222.A O no hydrogen 2.741 N/A GLU 86.A N GLY 222.A O no hydrogen 3.366 N/A TYR 88.A N ALA 220.A O no hydrogen 2.857 N/A GLY 89.A N TYR 51.A O no hydrogen 3.029 N/A LEU 90.A N LEU 218.A O no hydrogen 2.831 N/A ARG 91.A N ARG 49.A O no hydrogen 3.076 N/A ARG 91.A NE TYR 51.A OH no hydrogen 2.980 N/A ARG 91.A NH1 ASP 215.A OD2 no hydrogen 2.716 N/A ARG 91.A NH2 ASP 39.A OD2 no hydrogen 3.089 N/A ARG 91.A NH2 TYR 51.A OH no hydrogen 2.886 N/A ARG 92.A N ARG 216.A O no hydrogen 2.832 N/A ARG 92.A NE SER 96.A OG no hydrogen 2.755 N/A ARG 92.A NH1 THR 207.A OG1 no hydrogen 2.813 N/A ARG 92.A NH2 SER 96.A O no hydrogen 3.129 N/A ARG 92.A NH2 THR 207.A OG1 no hydrogen 3.106 N/A ARG 92.A NH2 ARG 208.A O no hydrogen 3.326 N/A THR 93.A N THR 48.A OG1 no hydrogen 3.343 N/A THR 93.A OG1 THR 48.A OG1 no hydrogen 3.014 N/A LYS 94.A NZ GLU 213.A OE1 no hydrogen 3.295 N/A ASP 95.A N LYS 210.A O no hydrogen 2.543 N/A SER 96.A N THR 93.A O no hydrogen 3.363 N/A SER 96.A OG THR 93.A O no hydrogen 2.826 N/A LEU 100.A N GLU 252.A OE1 no hydrogen 2.857 N/A HIS 101.A N HIS 205.A O no hydrogen 2.915 N/A HIS 101.A ND1 TYR 99.A O no hydrogen 3.059 N/A GLY 103.A N ALA 202.A O no hydrogen 2.794 N/A ASN 104.A N SER 158.A O no hydrogen 3.142 N/A ASN 104.A ND2 ALA 161.A O no hydrogen 2.968 N/A SER 105.A OG ALA 161.A O no hydrogen 2.590 N/A LEU 108.A N VAL 115.A O no hydrogen 2.834 N/A LEU 110.A N ARG 113.A O no hydrogen 2.525 N/A ASP 112.A N LEU 110.A O no hydrogen 2.671 N/A ASP 112.A N ASP 112.A OD1 no hydrogen 2.613 N/A ARG 113.A NE ASP 112.A OD1 no hydrogen 3.148 N/A ARG 113.A NE ASP 112.A OD2 no hydrogen 3.421 N/A ARG 113.A NH2 ASP 112.A OD2 no hydrogen 2.700 N/A VAL 115.A N LEU 108.A O no hydrogen 2.859 N/A ARG 117.A NH1 SER 105.A OG no hydrogen 2.788 N/A ARG 117.A NH1 GLY 116.A O no hydrogen 3.241 N/A ARG 117.A NH2 ASN 162.A OD1 no hydrogen 3.537 N/A SER 120.A N ASP 118.A OD1 no hydrogen 3.145 N/A SER 120.A OG ASP 118.A OD1 no hydrogen 2.717 N/A ILE 121.A N ASP 118.A O no hydrogen 3.072 N/A THR 122.A OG1 ASP 118.A O no hydrogen 2.689 N/A HIS 123.A NE2 HIS 159.A O no hydrogen 2.756 N/A THR 124.A N TYR 131.A O no hydrogen 2.989 N/A TYR 125.A N THR 124.A OG1 no hydrogen 2.734 N/A HIS 126.A N LYS 129.A O no hydrogen 2.906 N/A LYS 129.A N HIS 126.A O no hydrogen 3.097 N/A LYS 129.A NZ ASN 79.A OD1 no hydrogen 2.839 N/A TYR 131.A N THR 124.A O no hydrogen 2.890 N/A CYS 132.A N VAL 77.A O no hydrogen 2.824 N/A TYR 134.A OH GLU 86.A OE1 no hydrogen 2.520 N/A VAL 135.A N TYR 223.A O no hydrogen 3.094 N/A LYS 136.A N LEU 199.A O no hydrogen 2.878 N/A LYS 136.A NZ GLU 86.A OE1 no hydrogen 3.399 N/A LYS 136.A NZ TYR 88.A OH no hydrogen 3.140 N/A ALA 137.A N PHE 221.A O no hydrogen 2.771 N/A LEU 138.A N LEU 197.A O no hydrogen 2.985 N/A VAL 139.A N THR 219.A O no hydrogen 2.748 N/A TYR 140.A N ASP 195.A O no hydrogen 3.155 N/A LEU 141.A N LEU 217.A O no hydrogen 2.744 N/A ILE 144.A N VAL 191.A O no hydrogen 3.047 N/A GLN 145.A NE2 VAL 191.A O no hydrogen 2.861 N/A ASP 149.A N SER 146.A O no hydrogen 3.084 N/A GLY 150.A N PRO 147.A O no hydrogen 2.940 N/A SER 151.A OG ASP 188.A OD1 no hydrogen 2.874 N/A CYS 153.A N GLY 206.A O no hydrogen 2.893 N/A TYR 154.A N SER 187.A O no hydrogen 2.979 N/A VAL 155.A N MET 204.A O no hydrogen 3.018 N/A GLN 156.A N THR 185.A O no hydrogen 3.052 N/A GLN 156.A NE2 SER 187.A OG no hydrogen 2.838 N/A SER 158.A N VAL 155.A O no hydrogen 3.078 N/A SER 158.A OG VAL 155.A O no hydrogen 2.654 N/A SER 158.A OG MET 204.A O no hydrogen 3.562 N/A HIS 159.A NE2 ASP 12.A O no hydrogen 2.907 N/A LYS 160.A N GLY 157.A O no hydrogen 3.121 N/A LYS 160.A NZ ASP 12.A O no hydrogen 3.305 N/A LYS 160.A NZ ASP 12.A OD1 no hydrogen 2.811 N/A ALA 161.A N SER 158.A O no hydrogen 3.416 N/A LEU 165.A N GLU 106.A OE2 no hydrogen 2.873 N/A LEU 166.A N GLU 106.A OE1 no hydrogen 2.850 N/A ARG 167.A NE ASP 250.A OD2 no hydrogen 2.694 N/A ARG 167.A NH1 ASP 109.A OD1 no hydrogen 3.407 N/A ARG 167.A NH1 ASP 109.A OD2 no hydrogen 3.421 N/A ARG 167.A NH2 ASP 109.A OD2 no hydrogen 3.503 N/A ARG 167.A NH2 ASP 250.A OD1 no hydrogen 2.887 N/A ALA 170.A N LEU 166.A O no hydrogen 3.001 N/A GLU 171.A N ARG 167.A O no hydrogen 3.132 N/A ARG 172.A N ARG 169.A O no hydrogen 3.398 N/A ARG 172.A NH1 GLU 174.A OE2 no hydrogen 3.360 N/A GLY 173.A N ALA 170.A O no hydrogen 3.345 N/A GLU 174.A N ARG 169.A O no hydrogen 3.156 N/A THR 176.A OG1 SER 181.A OG no hydrogen 2.584 N/A SER 177.A OG GLU 252.A OE1 no hydrogen 2.738 N/A SER 177.A OG GLU 252.A OE2 no hydrogen 3.555 N/A LEU 178.A N GLU 252.A OE2 no hydrogen 2.737 N/A VAL 179.A N SER 177.A OG no hydrogen 2.916 N/A ASP 180.A N SER 177.A O no hydrogen 3.031 N/A SER 181.A N SER 177.A O no hydrogen 2.826 N/A SER 181.A OG SER 177.A O no hydrogen 3.203 N/A GLY 182.A N LEU 178.A O no hydrogen 2.778 N/A LEU 186.A N PHE 183.A O no hydrogen 3.091 N/A SER 187.A N TYR 154.A O no hydrogen 2.961 N/A VAL 189.A N PHE 152.A O no hydrogen 2.819 N/A VAL 191.A N ILE 144.A O no hydrogen 2.957 N/A ARG 192.A N ASP 195.A OD2 no hydrogen 2.943 N/A ARG 192.A NE ASP 143.A OD2 no hydrogen 3.451 N/A SER 193.A N ASP 143.A OD2 no hydrogen 3.004 N/A GLY 194.A N TYR 140.A O no hydrogen 2.982 N/A ASP 195.A N ARG 192.A O no hydrogen 3.058 N/A VAL 196.A N ILE 19.A O no hydrogen 3.014 N/A LEU 197.A N LEU 138.A O no hydrogen 2.861 N/A LEU 198.A N LEU 17.A O no hydrogen 2.688 N/A LEU 199.A N LYS 136.A O no hydrogen 2.753 N/A ASN 200.A N GLY 15.A O no hydrogen 2.864 N/A GLU 201.A N TYR 134.A O no hydrogen 3.110 N/A ALA 202.A N ASN 200.A OD1 no hydrogen 2.936 N/A LEU 203.A N ASN 200.A O no hydrogen 2.825 N/A MET 204.A N SER 158.A OG no hydrogen 2.805 N/A HIS 205.A N HIS 101.A O no hydrogen 2.949 N/A HIS 205.A ND1 LEU 203.A O no hydrogen 2.688 N/A GLY 206.A N CYS 153.A O no hydrogen 2.918 N/A THR 207.A N LEU 98.A O no hydrogen 2.991 N/A THR 207.A OG1 ARG 208.A O no hydrogen 2.858 N/A ARG 208.A N SER 151.A O no hydrogen 2.951 N/A ARG 208.A NE ASP 188.A OD1 no hydrogen 2.852 N/A ARG 208.A NE ASP 188.A OD2 no hydrogen 3.467 N/A ARG 208.A NH1 VAL 179.A O no hydrogen 2.696 N/A ARG 208.A NH2 ASP 188.A OD2 no hydrogen 3.273 N/A ARG 209.A NE ASP 180.A OD1 no hydrogen 3.314 N/A ARG 209.A NH2 TYR 99.A OH no hydrogen 2.948 N/A ARG 209.A NH2 ASP 180.A OD2 no hydrogen 3.069 N/A LYS 210.A N SER 96.A O no hydrogen 2.842 N/A LYS 210.A NZ THR 212.A O no hydrogen 2.722 N/A LYS 210.A NZ THR 212.A OG1 no hydrogen 3.161 N/A LYS 210.A NZ GLY 214.A O no hydrogen 2.955 N/A LEU 211.A N GLU 148.A O no hydrogen 2.791 N/A THR 212.A N GLU 148.A O no hydrogen 3.341 N/A THR 212.A OG1 ASP 149.A OD1 no hydrogen 2.654 N/A ARG 216.A N ARG 92.A O no hydrogen 2.788 N/A ARG 216.A NE GLY 150.A O no hydrogen 2.848 N/A ARG 216.A NH2 GLY 150.A O no hydrogen 2.997 N/A LEU 217.A N SER 142.A OG no hydrogen 2.791 N/A LEU 218.A N LEU 90.A O no hydrogen 3.083 N/A THR 219.A N VAL 139.A O no hydrogen 2.995 N/A THR 219.A OG1 VAL 139.A O no hydrogen 3.512 N/A ALA 220.A N TYR 88.A O no hydrogen 2.712 N/A PHE 221.A N ALA 137.A O no hydrogen 3.017 N/A GLY 222.A N GLU 86.A O no hydrogen 2.896 N/A TYR 223.A N VAL 135.A O no hydrogen 2.847 N/A TYR 223.A OH ALA 65.A O no hydrogen 2.657 N/A GLY 224.A N ARG 83.A O no hydrogen 3.091 N/A THR 226.A N PRO 81.A O no hydrogen 3.010 N/A PHE 228.A N PRO 225.A O no hydrogen 3.011 N/A TRP 231.A N LEU 85.A O no hydrogen 2.740 N/A LEU 234.A N TYR 246.A O no hydrogen 2.945 N/A THR 238.A OG1 ASP 240.A OD1 no hydrogen 3.021 N/A LEU 241.A N THR 238.A O no hydrogen 2.966 N/A ARG 242.A N ASP 240.A OD1 no hydrogen 3.266 N/A ARG 242.A NH1 ASP 240.A O no hydrogen 3.078 N/A GLY 243.A N THR 238.A OG1 no hydrogen 2.824 N/A TYR 246.A N ARG 232.A O no hydrogen 2.711 N/A TYR 246.A OH THR 229.A O no hydrogen 2.735 N/A HIS 249.A ND1 GLU 106.A O no hydrogen 2.874 N/A ASP 250.A N LEU 107.A O no hydrogen 2.929 N/A VAL 251.A N ASP 254.A OD2 no hydrogen 3.187 N/A GLU 252.A N LEU 100.A O no hydrogen 3.060 N/A ASP 254.A N VAL 251.A O no hydrogen 3.029 N/A PHE 255.A N GLU 252.A O no hydrogen 3.017 N/A VAL 256.A N GLU 252.A O no hydrogen 2.703 N/A