Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 13.A OD1 no hydrogen 3.057 N/A VAL 3.A N ILE 11.A O no hydrogen 2.702 N/A VAL 6.A N LYS 9.A O no hydrogen 2.740 N/A LYS 9.A N VAL 6.A O no hydrogen 2.951 N/A LYS 9.A NZ SER 10.A O no hydrogen 3.239 N/A ILE 11.A N ALA 4.A O no hydrogen 2.645 N/A SER 12.A N GLU 15.A OE1 no hydrogen 2.829 N/A SER 12.A OG GLU 15.A OE1 no hydrogen 3.059 N/A ASP 13.A N ALA 1.A O no hydrogen 2.690 N/A THR 14.A OG1 ASP 13.A OD1 no hydrogen 3.215 N/A GLU 15.A N SER 12.A OG no hydrogen 3.158 N/A VAL 16.A N SER 12.A O no hydrogen 3.504 N/A SER 17.A N ASP 13.A O no hydrogen 2.769 N/A GLU 18.A N THR 14.A O no hydrogen 2.916 N/A PHE 19.A N GLU 15.A O no hydrogen 3.023 N/A PHE 20.A N VAL 16.A O no hydrogen 3.056 N/A PHE 20.A N SER 17.A O no hydrogen 3.219 N/A ALA 21.A N SER 17.A O no hydrogen 2.893 N/A LEU 24.A N PHE 20.A O no hydrogen 2.934 N/A LEU 24.A N ALA 21.A O no hydrogen 3.151 N/A ARG 25.A N ALA 21.A O no hydrogen 3.326 N/A GLN 27.A N LEU 24.A O no hydrogen 3.255 N/A GLN 27.A NE2 THR 31.A OG1 no hydrogen 3.286 N/A LYS 30.A N ASP 28.A OD2 no hydrogen 2.986 N/A THR 31.A N ASP 28.A O no hydrogen 2.791 N/A THR 31.A OG1 ASP 28.A O no hydrogen 2.855 N/A LEU 32.A N PHE 29.A O no hydrogen 3.043 N/A GLN 36.A N PRO 33.A O no hydrogen 2.751 N/A LYS 37.A N PRO 33.A O no hydrogen 3.052 N/A LYS 37.A NZ LYS 30.A O no hydrogen 3.321 N/A LYS 38.A N ASP 34.A O no hydrogen 3.166 N/A ALA 39.A N ASN 35.A O no hydrogen 3.182 N/A LEU 40.A N GLN 36.A O no hydrogen 3.073 N/A ILE 41.A N LYS 37.A O no hydrogen 2.843 N/A GLN 42.A N LYS 38.A O no hydrogen 2.979 N/A GLN 43.A N ALA 39.A O no hydrogen 3.008 N/A TYR 44.A N LEU 40.A O no hydrogen 2.911 N/A TYR 44.A OH GLU 15.A OE2 no hydrogen 2.682 N/A ILE 45.A N ILE 41.A O no hydrogen 2.895 N/A MET 46.A N GLN 42.A O no hydrogen 2.976 N/A GLN 47.A N GLN 43.A O no hydrogen 2.935 N/A ASP 48.A N TYR 44.A O no hydrogen 2.756 N/A LEU 49.A N ILE 45.A O no hydrogen 2.904 N/A LEU 49.A N MET 46.A O no hydrogen 3.174 N/A ILE 50.A N MET 46.A O no hydrogen 2.923 N/A LEU 51.A N GLN 47.A O no hydrogen 3.058 N/A GLN 52.A N ASP 48.A O no hydrogen 3.070 N/A ASP 53.A N LEU 49.A O no hydrogen 2.958 N/A ALA 54.A N ILE 50.A O no hydrogen 2.820 N/A LYS 55.A N LEU 51.A O no hydrogen 3.044 N/A LYS 56.A N GLN 52.A O no hydrogen 3.055 N/A GLN 57.A N ASP 53.A O no hydrogen 2.924 N/A GLN 57.A NE2 ASP 53.A OD1 no hydrogen 2.917 N/A ASN 58.A N LYS 55.A O no hydrogen 2.717 N/A LEU 59.A N ALA 54.A O no hydrogen 2.966 N/A LYS 61.A N ASN 58.A O no hydrogen 3.174 N/A ASP 62.A N LEU 59.A O no hydrogen 2.905 N/A LEU 64.A N ASP 62.A OD2 no hydrogen 2.870 N/A TYR 65.A N ASP 62.A O no hydrogen 2.797 N/A THR 66.A N ASP 62.A O no hydrogen 3.080 N/A LYS 67.A N PRO 63.A O no hydrogen 3.198 N/A LEU 69.A N TYR 65.A O no hydrogen 2.846 N/A ASP 70.A N THR 66.A O no hydrogen 2.869 N/A ARG 71.A N LYS 67.A O no hydrogen 3.192 N/A ARG 71.A NE GLU 68.A OE1 no hydrogen 3.093 N/A ARG 71.A NE GLU 68.A OE2 no hydrogen 3.391 N/A ARG 71.A NH2 GLU 68.A OE2 no hydrogen 2.981 N/A ALA 72.A N GLU 68.A O no hydrogen 2.866 N/A LYS 73.A N LEU 69.A O no hydrogen 2.896 N/A ASP 74.A N ASP 70.A O no hydrogen 3.240 N/A ALA 75.A N ARG 71.A O no hydrogen 2.898 N/A ILE 76.A N ALA 72.A O no hydrogen 2.839 N/A LEU 77.A N LYS 73.A O no hydrogen 3.153 N/A VAL 78.A N ASP 74.A O no hydrogen 3.067 N/A ASN 79.A N ALA 75.A O no hydrogen 3.143 N/A VAL 80.A N ILE 76.A O no hydrogen 2.922 N/A TYR 81.A N LEU 77.A O no hydrogen 2.940 N/A GLN 82.A N VAL 78.A O no hydrogen 3.016 N/A GLU 83.A N ASN 79.A O no hydrogen 2.835 N/A LYS 84.A N VAL 80.A O no hydrogen 2.939 N/A ILE 85.A N TYR 81.A O no hydrogen 3.271 N/A LEU 86.A N GLN 82.A O no hydrogen 2.750 N/A ASN 87.A N GLU 83.A O no hydrogen 3.041 N/A ASN 87.A N LYS 84.A O no hydrogen 3.244 N/A THR 88.A N ILE 85.A O no hydrogen 2.915 N/A THR 88.A OG1 ILE 85.A O no hydrogen 2.893 N/A ILE 89.A N LEU 86.A O no hydrogen 3.201 N/A LYS 95.A N ASP 92.A O no hydrogen 3.123 N/A LYS 95.A N ASP 92.A OD1 no hydrogen 3.237 N/A LYS 97.A N ALA 93.A O no hydrogen 3.111 N/A ALA 98.A N ALA 94.A O no hydrogen 2.762 N/A PHE 99.A N LYS 95.A O no hydrogen 2.897 N/A TYR 100.A N VAL 96.A O no hydrogen 3.026 N/A TYR 100.A OH ILE 214.A O no hydrogen 2.467 N/A ASP 101.A N LYS 97.A O no hydrogen 2.864 N/A GLN 102.A N ALA 98.A O no hydrogen 3.008 N/A ASN 103.A N PHE 99.A O no hydrogen 3.178 N/A ASN 103.A N TYR 100.A O no hydrogen 2.861 N/A ASN 103.A ND2 PHE 99.A O no hydrogen 3.006 N/A LYS 104.A N ASP 101.A O no hydrogen 3.400 N/A LYS 106.A N ASN 103.A O no hydrogen 2.742 N/A LYS 106.A NZ ASN 103.A OD1 no hydrogen 3.182 N/A TYR 107.A N LYS 104.A O no hydrogen 3.111 N/A LYS 109.A N GLY 212.A O no hydrogen 2.669 N/A ARG 112.A N GLN 209.A O no hydrogen 2.906 N/A VAL 113.A N PHE 168.A O no hydrogen 2.944 N/A GLN 114.A N ASN 207.A O no hydrogen 2.958 N/A LYS 116.A N LEU 204.A O no hydrogen 2.743 N/A LYS 116.A NZ ASP 142.A OD2 no hydrogen 2.682 N/A LYS 116.A NZ SER 146.A OG no hydrogen 2.699 N/A HIS 117.A N GLY 163.A O no hydrogen 3.013 N/A ILE 118.A N VAL 202.A O no hydrogen 2.805 N/A LEU 119.A N SER 153.A OG no hydrogen 3.105 N/A VAL 120.A N TYR 200.A O no hydrogen 3.093 N/A ALA 126.A N THR 122.A O no hydrogen 3.232 N/A LYS 127.A N GLU 123.A O no hydrogen 3.039 N/A LYS 127.A NZ GLU 123.A OE2 no hydrogen 3.131 N/A ASP 128.A N LYS 124.A O no hydrogen 3.069 N/A ILE 129.A N GLU 125.A O no hydrogen 3.061 N/A ILE 130.A N ALA 126.A O no hydrogen 3.037 N/A ASN 131.A N LYS 127.A O no hydrogen 2.761 N/A GLU 132.A N ASP 128.A O no hydrogen 2.974 N/A LEU 133.A N ILE 129.A O no hydrogen 3.191 N/A LEU 133.A N ILE 130.A O no hydrogen 3.171 N/A LYS 134.A N ASN 131.A O no hydrogen 3.295 N/A LEU 136.A N LEU 133.A O no hydrogen 3.089 N/A LEU 141.A N LYS 137.A O no hydrogen 3.262 N/A ASP 142.A N GLY 138.A O no hydrogen 3.012 N/A ALA 143.A N LYS 139.A O no hydrogen 3.121 N/A LYS 144.A N GLU 140.A O no hydrogen 3.243 N/A PHE 145.A N LEU 141.A O no hydrogen 2.847 N/A SER 146.A N ASP 142.A O no hydrogen 2.999 N/A SER 146.A OG ASP 142.A O no hydrogen 3.265 N/A GLU 147.A N ALA 143.A O no hydrogen 3.008 N/A LEU 148.A N LYS 144.A O no hydrogen 2.965 N/A ALA 149.A N PHE 145.A O no hydrogen 2.874 N/A LYS 150.A N SER 146.A O no hydrogen 2.962 N/A GLU 151.A N GLU 147.A O no hydrogen 3.041 N/A LYS 152.A N LEU 148.A O no hydrogen 2.770 N/A SER 153.A N ALA 149.A O no hydrogen 2.998 N/A ILE 154.A N LEU 119.A O no hydrogen 2.672 N/A ASP 155.A N SER 153.A OG no hydrogen 3.299 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.237 N/A SER 158.A N ASP 155.A O no hydrogen 3.155 N/A SER 158.A OG ASP 155.A OD2 no hydrogen 2.840 N/A LYS 159.A N ASP 155.A O no hydrogen 2.717 N/A GLN 161.A N SER 158.A O no hydrogen 2.676 N/A GLY 162.A N LYS 159.A O no hydrogen 3.322 N/A GLY 163.A N SER 158.A O no hydrogen 3.011 N/A GLU 164.A N GLN 161.A O no hydrogen 3.470 N/A LEU 165.A N ALA 115.A O no hydrogen 3.192 N/A PHE 168.A N VAL 113.A O no hydrogen 2.921 N/A THR 172.A N ASP 169.A O no hydrogen 3.438 N/A THR 172.A OG1 ASP 169.A OD1 no hydrogen 2.861 N/A THR 178.A N VAL 174.A O no hydrogen 2.959 N/A THR 178.A OG1 MET 173.A O no hydrogen 3.393 N/A THR 178.A OG1 VAL 174.A O no hydrogen 3.175 N/A ASP 179.A N LYS 175.A O no hydrogen 2.489 N/A ALA 180.A N PRO 176.A O no hydrogen 3.400 N/A ALA 181.A N PHE 177.A O no hydrogen 3.035 N/A PHE 182.A N THR 178.A O no hydrogen 3.017 N/A ALA 183.A N ASP 179.A O no hydrogen 3.162 N/A ALA 183.A N ALA 180.A O no hydrogen 3.176 N/A LEU 184.A N ALA 180.A O no hydrogen 3.255 N/A ASN 186.A ND2 SER 208.A OG no hydrogen 2.961 N/A GLY 187.A N LYS 205.A O no hydrogen 2.605 N/A THR 188.A N LYS 185.A O no hydrogen 3.298 N/A THR 188.A OG1 LYS 185.A O no hydrogen 2.578 N/A THR 190.A N ILE 203.A O no hydrogen 2.851 N/A THR 190.A OG1 THR 192.A O no hydrogen 2.281 N/A VAL 194.A N HIS 201.A O no hydrogen 3.066 N/A THR 196.A N GLY 199.A O no hydrogen 2.873 N/A THR 196.A OG1 HIS 201.A NE2 no hydrogen 2.613 N/A PHE 198.A N THR 196.A OG1 no hydrogen 2.984 N/A GLY 199.A N THR 196.A O no hydrogen 3.257 N/A TYR 200.A N VAL 120.A O no hydrogen 2.972 N/A HIS 201.A N VAL 194.A O no hydrogen 2.877 N/A HIS 201.A NE2 THR 196.A OG1 no hydrogen 2.613 N/A VAL 202.A N ILE 118.A O no hydrogen 2.972 N/A LEU 204.A N LYS 116.A O no hydrogen 2.796 N/A LYS 205.A N THR 188.A O no hydrogen 2.972 N/A GLU 206.A N GLN 114.A O no hydrogen 2.668 N/A ASN 207.A N GLN 114.A O no hydrogen 3.208 N/A SER 208.A N ASN 207.A OD1 no hydrogen 2.881 N/A GLN 209.A N ARG 112.A O no hydrogen 2.743 N/A GLY 212.A N LYS 109.A O no hydrogen 2.751 N/A GLN 213.A NE2 LYS 104.A O no hydrogen 3.149 N/A GLN 213.A NE2 ILE 214.A O no hydrogen 3.083 N/A ILE 214.A N TYR 107.A O no hydrogen 2.824 N/A LYS 215.A N GLU 218.A OE1 no hydrogen 2.997 N/A GLU 218.A N LYS 215.A O no hydrogen 2.880 N/A VAL 219.A N PHE 216.A O no hydrogen 3.007 N/A ILE 223.A N VAL 219.A O no hydrogen 2.998 N/A GLU 224.A N LYS 220.A O no hydrogen 2.971 N/A ASN 225.A N GLN 221.A O no hydrogen 2.846 N/A GLY 226.A N GLY 222.A O no hydrogen 3.126 N/A LEU 227.A N ILE 223.A O no hydrogen 2.826 N/A LYS 228.A N GLU 224.A O no hydrogen 2.772 N/A PHE 229.A N ASN 225.A O no hydrogen 3.065 N/A GLU 230.A N GLY 226.A O no hydrogen 3.134 N/A GLU 231.A N LEU 227.A O no hydrogen 2.996 N/A PHE 232.A N LYS 228.A O no hydrogen 2.798 N/A LYS 233.A N PHE 229.A O no hydrogen 2.972 N/A LYS 234.A N GLU 230.A O no hydrogen 3.068 N/A VAL 235.A N GLU 231.A O no hydrogen 2.891 N/A ILE 236.A N PHE 232.A O no hydrogen 2.912 N/A ASN 237.A N LYS 233.A O no hydrogen 2.956 N/A GLN 238.A N LYS 234.A O no hydrogen 2.920 N/A GLN 238.A NE2 ASP 242.A OD1 no hydrogen 2.679 N/A GLN 238.A NE2 ASP 242.A OD2 no hydrogen 3.524 N/A LYS 239.A N VAL 235.A O no hydrogen 2.954 N/A GLY 240.A N ILE 236.A O no hydrogen 2.941 N/A GLN 241.A N ASN 237.A O no hydrogen 2.956 N/A ASP 242.A N GLN 238.A O no hydrogen 2.851 N/A LEU 243.A N LYS 239.A O no hydrogen 3.177 N/A LEU 244.A N GLY 240.A O no hydrogen 3.358 N/A ASN 245.A N GLN 241.A O no hydrogen 3.187 N/A ALA 247.A N LEU 244.A O no hydrogen 3.256 N/A