Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N THR 198.A O no hydrogen 2.885 N/A LEU 4.A N LYS 36.A O no hydrogen 2.755 N/A LEU 5.A N HIS 200.A O no hydrogen 2.952 N/A PHE 6.A N GLY 38.A O no hydrogen 2.958 N/A ASP 7.A N PHE 202.A O no hydrogen 2.963 N/A GLY 10.A N THR 13.A OG1 no hydrogen 3.347 N/A THR 11.A N VAL 8.A O no hydrogen 3.062 N/A THR 11.A OG1 ASP 7.A OD2 no hydrogen 3.191 N/A THR 11.A OG1 ASP 204.A OD2 no hydrogen 2.922 N/A LEU 12.A N VAL 8.A O no hydrogen 2.799 N/A THR 13.A OG1 PRO 14.A O no hydrogen 3.145 N/A ARG 16.A N ASP 9.A OD1 no hydrogen 3.057 N/A ARG 16.A N ASP 9.A OD2 no hydrogen 3.226 N/A GLU 19.A N GLN 51.A O no hydrogen 2.763 N/A THR 20.A OG1 TYR 229.A OH no hydrogen 3.200 N/A LYS 24.A N THR 20.A O no hydrogen 2.867 N/A LYS 24.A NZ LEU 52.A O no hydrogen 3.308 N/A GLU 25.A N HIS 21.A O no hydrogen 2.810 N/A ALA 26.A N ASP 22.A O no hydrogen 3.081 N/A LEU 27.A N MET 23.A O no hydrogen 3.115 N/A LEU 28.A N LYS 24.A O no hydrogen 3.134 N/A LYS 29.A N GLU 25.A O no hydrogen 3.227 N/A ALA 30.A N ALA 26.A O no hydrogen 3.154 N/A ARG 31.A N LEU 27.A O no hydrogen 2.982 N/A ARG 31.A NE ASP 61.A OD1 no hydrogen 3.453 N/A ARG 31.A NE ASP 61.A OD2 no hydrogen 3.424 N/A ARG 31.A NH1 GLU 58.A O no hydrogen 2.853 N/A ARG 31.A NH2 GLU 58.A O no hydrogen 3.217 N/A ARG 31.A NH2 ASP 61.A OD1 no hydrogen 2.970 N/A ALA 32.A N LEU 28.A O no hydrogen 3.062 N/A ALA 33.A N LYS 29.A O no hydrogen 3.072 N/A GLY 34.A N ARG 31.A O no hydrogen 2.804 N/A PHE 35.A N ALA 30.A O no hydrogen 3.110 N/A LYS 36.A N ALA 2.A O no hydrogen 3.106 N/A LEU 37.A N ASP 61.A OD2 no hydrogen 2.951 N/A GLY 38.A N LEU 4.A O no hydrogen 2.816 N/A VAL 39.A N TYR 62.A O no hydrogen 3.086 N/A VAL 40.A N PHE 6.A O no hydrogen 2.886 N/A GLY 41.A N PHE 64.A O no hydrogen 3.284 N/A LYS 47.A N ASP 44.A OD2 no hydrogen 2.909 N/A GLN 48.A N ASP 44.A O no hydrogen 3.056 N/A GLN 48.A NE2 PHE 64.A O no hydrogen 3.061 N/A LYS 49.A N PHE 45.A O no hydrogen 2.805 N/A LYS 49.A NZ GLU 54.A OE1 no hydrogen 3.131 N/A GLU 50.A N ALA 46.A O no hydrogen 2.923 N/A GLN 51.A N LYS 47.A O no hydrogen 3.222 N/A LEU 52.A N GLN 48.A O no hydrogen 2.914 N/A SER 55.A OG ASP 59.A OD1 no hydrogen 3.101 N/A SER 55.A OG ASP 59.A OD2 no hydrogen 2.495 N/A GLU 58.A N SER 55.A O no hydrogen 2.827 N/A ASP 59.A N SER 55.A O no hydrogen 2.911 N/A ASP 59.A N ILE 56.A O no hydrogen 3.231 N/A PHE 60.A N ILE 56.A O no hydrogen 3.154 N/A ASP 61.A N LEU 37.A O no hydrogen 2.790 N/A TYR 62.A N LEU 37.A O no hydrogen 3.010 N/A VAL 63.A N TYR 72.A O no hydrogen 2.908 N/A PHE 64.A N VAL 39.A O no hydrogen 2.757 N/A SER 65.A N LEU 70.A O no hydrogen 2.808 N/A SER 65.A OG GLN 48.A OE1 no hydrogen 3.016 N/A SER 65.A OG LEU 70.A O no hydrogen 3.504 N/A GLU 66.A N SER 43.A O no hydrogen 3.106 N/A ASN 67.A N GLY 41.A O no hydrogen 2.950 N/A ASN 67.A ND2 TRP 183.A O no hydrogen 2.990 N/A GLY 68.A N SER 65.A O no hydrogen 2.812 N/A LEU 69.A N GLU 66.A O no hydrogen 3.153 N/A LEU 70.A N SER 65.A O no hydrogen 3.193 N/A ALA 71.A N HIS 79.A O no hydrogen 2.871 N/A TYR 72.A N VAL 63.A O no hydrogen 2.791 N/A LYS 73.A N LYS 76.A O no hydrogen 2.872 N/A ASP 74.A N ASP 61.A O no hydrogen 2.751 N/A LYS 76.A N LYS 73.A O no hydrogen 3.191 N/A PHE 78.A N ALA 71.A O no hydrogen 2.857 N/A HIS 79.A N ALA 71.A O no hydrogen 3.450 N/A HIS 79.A NE2 TYR 187.A OH no hydrogen 2.739 N/A ARG 80.A NE GLU 77.A OE1 no hydrogen 3.239 N/A ARG 80.A NH2 GLU 77.A OE2 no hydrogen 2.906 N/A ASN 81.A N LEU 69.A O no hydrogen 2.759 N/A LEU 83.A N ASN 120.A O no hydrogen 2.732 N/A ALA 86.A N SER 82.A O no hydrogen 3.071 N/A LEU 87.A N LEU 83.A O no hydrogen 2.948 N/A GLY 88.A N LEU 84.A O no hydrogen 2.701 N/A LYS 91.A NZ ASP 163.A O no hydrogen 3.457 N/A VAL 92.A N GLY 88.A O no hydrogen 3.098 N/A VAL 93.A N ASN 89.A O no hydrogen 2.887 N/A ALA 94.A N GLU 90.A O no hydrogen 3.100 N/A PHE 95.A N LYS 91.A O no hydrogen 3.048 N/A VAL 96.A N VAL 92.A O no hydrogen 3.138 N/A LYS 97.A N VAL 93.A O no hydrogen 2.886 N/A LYS 98.A N ALA 94.A O no hydrogen 3.168 N/A CYS 99.A N PHE 95.A O no hydrogen 2.894 N/A CYS 99.A SG PHE 95.A O no hydrogen 3.449 N/A LEU 100.A N VAL 96.A O no hydrogen 2.911 N/A HIS 101.A N LYS 97.A O no hydrogen 3.017 N/A LEU 102.A N LYS 98.A O no hydrogen 2.964 N/A ILE 103.A N CYS 99.A O no hydrogen 2.913 N/A ALA 104.A N LEU 100.A O no hydrogen 2.907 N/A ASP 105.A N HIS 101.A O no hydrogen 3.043 N/A LEU 106.A N ILE 103.A O no hydrogen 3.342 N/A GLN 111.A NE2 ILE 103.A O no hydrogen 3.051 N/A GLN 111.A NE2 PRO 127.A O no hydrogen 2.815 N/A ARG 112.A N ILE 128.A O no hydrogen 2.841 N/A ARG 112.A NE GLU 136.A OE2 no hydrogen 3.188 N/A ARG 112.A NH1 GLN 111.A O no hydrogen 2.967 N/A ARG 112.A NH2 GLU 136.A OE2 no hydrogen 3.024 N/A GLU 117.A N ASN 124.A O no hydrogen 2.862 N/A ARG 119.A N MET 122.A O no hydrogen 2.833 N/A ARG 119.A NH1 GLU 117.A OE1 no hydrogen 2.728 N/A PHE 123.A N VAL 178.A O no hydrogen 2.935 N/A ASN 124.A N GLU 117.A O no hydrogen 2.922 N/A ASN 124.A ND2 SER 175.A OG no hydrogen 2.958 N/A ASN 124.A ND2 ASP 177.A OD2 no hydrogen 2.640 N/A VAL 125.A N PHE 176.A O no hydrogen 2.838 N/A SER 126.A N PHE 115.A O no hydrogen 2.734 N/A SER 126.A OG ILE 174.A O no hydrogen 2.943 N/A GLY 129.A N SER 126.A OG no hydrogen 2.946 N/A ARG 130.A N THR 114.A O no hydrogen 2.879 N/A ARG 130.A NH1 ASN 124.A OD1 no hydrogen 2.825 N/A ASN 131.A N GLY 113.A O no hydrogen 2.950 N/A ASN 131.A ND2 THR 114.A OG1 no hydrogen 2.669 N/A CYS 132.A SG GLY 129.A O no hydrogen 3.393 N/A CYS 132.A SG SER 133.A O no hydrogen 3.707 N/A SER 133.A N GLU 136.A OE1 no hydrogen 2.907 N/A GLN 134.A NE2 ASP 138.A OD1 no hydrogen 2.769 N/A GLN 134.A NE2 GLN 173.A OE1 no hydrogen 3.085 N/A GLU 136.A N SER 133.A OG no hydrogen 3.061 N/A ARG 137.A N SER 133.A O no hydrogen 2.939 N/A ASP 138.A N GLN 134.A O no hydrogen 2.918 N/A GLU 139.A N GLN 135.A O no hydrogen 3.042 N/A PHE 140.A N GLU 136.A O no hydrogen 2.870 N/A GLU 141.A N ARG 137.A O no hydrogen 2.971 N/A ASN 142.A N ASP 138.A O no hydrogen 3.211 N/A LEU 143.A N GLU 139.A O no hydrogen 2.915 N/A ASP 144.A N PHE 140.A O no hydrogen 2.625 N/A LYS 145.A N GLU 141.A O no hydrogen 3.030 N/A GLU 146.A N ASN 142.A O no hydrogen 3.390 N/A ARG 147.A N LEU 143.A O no hydrogen 2.910 N/A ARG 147.A NH1 ASP 107.A O no hydrogen 2.983 N/A ARG 147.A NH2 ASP 107.A O no hydrogen 2.981 N/A HIS 148.A N ASP 144.A O no hydrogen 2.583 N/A ARG 150.A N ASP 144.A OD2 no hydrogen 2.957 N/A ARG 150.A NE ASP 144.A OD1 no hydrogen 2.834 N/A ARG 150.A NH1 GLY 171.A O no hydrogen 2.995 N/A ARG 150.A NH1 GLY 172.A O no hydrogen 3.443 N/A ARG 150.A NH1 SER 175.A O no hydrogen 2.955 N/A ARG 150.A NH2 ASP 144.A OD1 no hydrogen 3.117 N/A LYS 152.A N HIS 148.A O no hydrogen 3.081 N/A LYS 152.A NZ.B GLU 156.A OE1 no hydrogen 3.548 N/A LEU 153.A N ILE 149.A O no hydrogen 3.127 N/A ILE 154.A N ARG 150.A O no hydrogen 3.081 N/A ARG 155.A N GLU 151.A O no hydrogen 3.005 N/A GLU 156.A N LYS 152.A O no hydrogen 3.016 N/A LEU 157.A N LEU 153.A O no hydrogen 2.913 N/A LYS 158.A N ILE 154.A O no hydrogen 2.807 N/A GLU 159.A N ARG 155.A O no hydrogen 3.013 N/A ALA 160.A N GLU 156.A O no hydrogen 3.053 N/A PHE 161.A N LEU 157.A O no hydrogen 2.994 N/A TYR 164.A N PHE 161.A O no hydrogen 3.076 N/A GLN 165.A N PRO 162.A O no hydrogen 3.109 N/A ALA 167.A N PHE 179.A O no hydrogen 2.552 N/A SER 169.A N ASP 177.A O no hydrogen 2.786 N/A GLY 171.A N SER 175.A O no hydrogen 2.754 N/A GLN 173.A NE2 ASP 138.A OD1 no hydrogen 3.194 N/A GLN 173.A NE2 GLU 141.A OE1 no hydrogen 3.123 N/A PHE 176.A N VAL 125.A O no hydrogen 3.000 N/A ASP 177.A N SER 169.A O no hydrogen 2.771 N/A VAL 178.A N PHE 123.A O no hydrogen 2.874 N/A PHE 179.A N ALA 167.A O no hydrogen 2.953 N/A LYS 181.A N GLN 165.A O no hydrogen 3.025 N/A LYS 181.A NZ GLN 165.A OE1 no hydrogen 2.464 N/A TRP 183.A N PRO 180.A O no hydrogen 3.038 N/A LYS 185.A NZ ASP 7.A OD1 no hydrogen 3.394 N/A LYS 185.A NZ ASN 211.A O no hydrogen 3.359 N/A LYS 185.A NZ ASP 212.A OD1 no hydrogen 2.868 N/A THR 186.A N ASP 184.A OD2 no hydrogen 2.806 N/A THR 186.A OG1 ASP 184.A OD2 no hydrogen 2.461 N/A TYR 187.A N ASP 184.A O no hydrogen 2.941 N/A TYR 187.A OH HIS 79.A NE2 no hydrogen 2.739 N/A TYR 187.A OH ASN 81.A OD1 no hydrogen 3.089 N/A CYS 188.A N LYS 185.A O no hydrogen 3.197 N/A CYS 188.A SG LYS 185.A O no hydrogen 3.353 N/A LEU 189.A N THR 186.A O no hydrogen 2.927 N/A GLN 190.A NE2 TYR 187.A O no hydrogen 2.689 N/A PHE 191.A N CYS 188.A O no hydrogen 2.970 N/A VAL 192.A N LEU 189.A O no hydrogen 3.063 N/A GLU 193.A N LEU 189.A O no hydrogen 2.799 N/A ASP 195.A N VAL 192.A O no hydrogen 3.001 N/A GLU 197.A N LYS 1.A O no hydrogen 2.983 N/A THR 198.A N LYS 1.A O no hydrogen 3.502 N/A HIS 200.A N ILE 3.A O no hydrogen 2.961 N/A HIS 200.A ND1 HIS 224.A NE2 no hydrogen 2.688 N/A PHE 201.A N ILE 222.A O no hydrogen 2.754 N/A PHE 202.A N LEU 5.A O no hydrogen 2.838 N/A GLY 203.A N HIS 224.A O no hydrogen 3.064 N/A ASP 204.A N ASP 212.A OD2 no hydrogen 3.167 N/A THR 206.A OG1 SER 225.A OG no hydrogen 2.630 N/A GLY 210.A N SER 207.A O no hydrogen 2.851 N/A ASP 212.A N LYS 205.A O no hydrogen 3.133 N/A TYR 213.A N GLY 210.A O no hydrogen 3.073 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.890 N/A PHE 216.A N ASP 212.A O no hydrogen 3.088 N/A THR 217.A N TYR 213.A O no hydrogen 2.998 N/A THR 217.A OG1 TYR 213.A O no hydrogen 2.569 N/A ASP 218.A N GLU 214.A O no hydrogen 2.901 N/A ARG 220.A N ASP 218.A OD2 no hydrogen 2.759 N/A ARG 220.A NE ASP 218.A OD1 no hydrogen 3.408 N/A ARG 220.A NE ASP 218.A OD2 no hydrogen 2.893 N/A ARG 220.A NH2 ASP 218.A OD1 no hydrogen 2.808 N/A THR 221.A N ASP 218.A O no hydrogen 3.189 N/A THR 221.A OG1 ILE 215.A O no hydrogen 3.483 N/A ILE 222.A N ILE 199.A O no hydrogen 2.691 N/A HIS 224.A N PHE 201.A O no hydrogen 2.628 N/A HIS 224.A NE2 HIS 200.A ND1 no hydrogen 2.688 N/A SER 225.A OG THR 206.A OG1 no hydrogen 2.630 N/A VAL 226.A N GLY 203.A O no hydrogen 2.793 N/A LYS 227.A N ASP 231.A OD2 no hydrogen 3.185 N/A THR 228.A N ASP 231.A OD2 no hydrogen 3.220 N/A TYR 229.A OH ASP 22.A OD2 no hydrogen 3.245 N/A LYS 230.A N THR 228.A OG1 no hydrogen 3.144 N/A ASP 231.A N THR 228.A O no hydrogen 2.788 N/A THR 232.A N THR 228.A O no hydrogen 3.271 N/A THR 232.A OG1 THR 11.A O no hydrogen 2.775 N/A ILE 233.A N TYR 229.A O no hydrogen 2.990 N/A ALA 234.A N LYS 230.A O no hydrogen 3.295 N/A ILE 235.A N ASP 231.A O no hydrogen 2.851 N/A LEU 236.A N THR 232.A O no hydrogen 3.017 N/A GLU 237.A N ILE 233.A O no hydrogen 2.742 N/A ALA 238.A N ALA 234.A O no hydrogen 3.029 N/A LEU 239.A N ILE 235.A O no hydrogen 2.822 N/A LEU 240.A N LEU 236.A O no hydrogen 2.824 N/A GLU 241.A N GLU 237.A O no hydrogen 2.614 N/A ASP 242.A N ALA 238.A O no hydrogen 3.314 N/A