Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aa2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N SER 2.A OG no hydrogen 3.342 N/A SER 5.A OG SER 2.A O no hydrogen 3.170 N/A ARG 6.A N SER 2.A O no hydrogen 3.114 N/A ALA 7.A N THR 3.A O no hydrogen 3.258 N/A LEU 8.A N ILE 4.A O no hydrogen 2.924 N/A THR 9.A N SER 5.A O no hydrogen 2.971 N/A THR 9.A OG1 SER 5.A O no hydrogen 2.548 N/A MET 14.A N SER 11.A OG no hydrogen 3.271 N/A VAL 15.A N SER 11.A O no hydrogen 3.041 N/A LEU 16.A N PRO 12.A O no hydrogen 3.093 N/A GLU 17.A N VAL 13.A O no hydrogen 3.312 N/A ASN 18.A N MET 14.A O no hydrogen 3.219 N/A ILE 19.A N VAL 15.A O no hydrogen 2.876 N/A ALA 26.A N ASP 106.A OD1 no hydrogen 2.996 N/A GLY 27.A N ASP 106.A OD2 no hydrogen 2.707 N/A TYR 28.A N ASP 106.A OD2 no hydrogen 3.225 N/A TYR 28.A OH ASP 34.A OD1 no hydrogen 2.683 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.863 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.543 N/A SER 31.A OG ASP 29.A OD2 no hydrogen 3.456 N/A THR 35.A N PRO 33.A O no hydrogen 2.966 N/A LEU 39.A N THR 35.A O no hydrogen 3.033 N/A LEU 40.A N ALA 36.A O no hydrogen 2.776 N/A SER 41.A N GLU 37.A O no hydrogen 3.082 N/A SER 41.A OG GLU 37.A O no hydrogen 2.701 N/A THR 42.A N ASN 38.A O no hydrogen 2.882 N/A THR 42.A OG1 ASN 38.A O no hydrogen 2.793 N/A LEU 43.A N LEU 39.A O no hydrogen 2.906 N/A ASN 44.A N LEU 40.A O no hydrogen 2.936 N/A ASN 44.A ND2 GLU 224.A O no hydrogen 2.909 N/A ARG 45.A N SER 41.A O no hydrogen 2.969 N/A ARG 45.A NH1 ALA 26.A O no hydrogen 3.377 N/A LEU 46.A N THR 42.A O no hydrogen 2.879 N/A ALA 47.A N LEU 43.A O no hydrogen 2.872 N/A GLY 48.A N ASN 44.A O no hydrogen 3.067 N/A LYS 49.A N ARG 45.A O no hydrogen 3.216 N/A GLN 50.A N LEU 46.A O no hydrogen 2.923 N/A MET 51.A N ALA 47.A O no hydrogen 2.843 N/A ILE 52.A N GLY 48.A O no hydrogen 3.226 N/A VAL 54.A N GLN 50.A O no hydrogen 2.856 N/A VAL 55.A N MET 51.A O no hydrogen 2.985 N/A TRP 57.A N GLN 53.A O no hydrogen 3.059 N/A ALA 58.A N VAL 54.A O no hydrogen 2.838 N/A LYS 59.A N VAL 55.A O no hydrogen 3.038 N/A VAL 60.A N TRP 57.A O no hydrogen 3.123 N/A LEU 61.A N ALA 58.A O no hydrogen 3.137 N/A PHE 64.A N LEU 61.A O no hydrogen 3.026 N/A LYS 65.A N LEU 61.A O no hydrogen 3.389 N/A ASN 66.A N GLY 63.A O no hydrogen 3.294 N/A LEU 67.A N PHE 64.A O no hydrogen 2.858 N/A GLN 72.A N PRO 68.A O no hydrogen 3.139 N/A ILE 73.A N LEU 69.A O no hydrogen 3.127 N/A THR 74.A N GLU 70.A O no hydrogen 3.205 N/A THR 74.A OG1 GLU 70.A O no hydrogen 3.035 N/A LEU 75.A N ASP 71.A O no hydrogen 2.917 N/A ILE 76.A N GLN 72.A O no hydrogen 3.015 N/A GLN 77.A N ILE 73.A O no hydrogen 3.045 N/A GLN 77.A NE2 ASP 235.A OD2 no hydrogen 2.636 N/A TYR 78.A N THR 74.A O no hydrogen 2.966 N/A SER 79.A N LEU 75.A O no hydrogen 2.969 N/A SER 79.A OG LEU 75.A O no hydrogen 2.800 N/A LEU 83.A N SER 79.A O no hydrogen 2.920 N/A SER 84.A N TRP 80.A O no hydrogen 2.936 N/A SER 84.A OG TRP 80.A O no hydrogen 2.715 N/A SER 85.A N MET 81.A O no hydrogen 2.944 N/A SER 85.A OG MET 81.A O no hydrogen 3.068 N/A SER 85.A OG SER 82.A O no hydrogen 3.339 N/A PHE 86.A N SER 82.A O no hydrogen 3.027 N/A ALA 87.A N LEU 83.A O no hydrogen 2.992 N/A LEU 88.A N SER 84.A O no hydrogen 2.927 N/A SER 89.A N SER 85.A O no hydrogen 2.963 N/A SER 89.A OG SER 85.A O no hydrogen 3.406 N/A SER 89.A OG MET 126.A O no hydrogen 2.852 N/A TRP 90.A N PHE 86.A O no hydrogen 3.085 N/A ARG 91.A N ALA 87.A O no hydrogen 3.108 N/A ARG 91.A NE TYR 102.A O no hydrogen 3.142 N/A ARG 91.A NH2 PHE 103.A O no hydrogen 3.082 N/A SER 92.A N LEU 88.A O no hydrogen 3.039 N/A SER 92.A OG LEU 88.A O no hydrogen 2.782 N/A TYR 93.A N SER 89.A O no hydrogen 2.994 N/A TYR 93.A OH LEU 138.A O no hydrogen 3.170 N/A LYS 94.A N TRP 90.A O no hydrogen 2.840 N/A HIS 95.A N ARG 91.A O no hydrogen 2.781 N/A THR 96.A N SER 92.A O no hydrogen 3.130 N/A THR 96.A OG1 SER 92.A O no hydrogen 2.731 N/A THR 96.A OG1 PHE 100.A O no hydrogen 3.330 N/A SER 98.A N SER 92.A O no hydrogen 2.788 N/A SER 98.A OG SER 130.A O no hydrogen 2.822 N/A GLN 99.A N THR 96.A O no hydrogen 2.994 N/A GLN 99.A N THR 96.A OG1 no hydrogen 3.079 N/A PHE 100.A N THR 96.A OG1 no hydrogen 3.097 N/A LEU 101.A N PHE 109.A O no hydrogen 3.076 N/A TYR 102.A N SER 92.A OG no hydrogen 2.781 N/A ALA 104.A N LEU 107.A O no hydrogen 3.151 N/A ASP 106.A N ASP 106.A OD1 no hydrogen 2.544 N/A LEU 107.A N ALA 104.A O no hydrogen 2.998 N/A PHE 109.A N LEU 101.A O no hydrogen 2.840 N/A LYS 113.A N ASN 110.A OD1 no hydrogen 3.127 N/A LYS 113.A NZ ASP 34.A OD2 no hydrogen 2.851 N/A MET 114.A N ASN 110.A O no hydrogen 3.136 N/A HIS 115.A N GLU 111.A O no hydrogen 3.052 N/A GLN 116.A N GLU 112.A O no hydrogen 2.938 N/A SER 117.A N LYS 113.A O no hydrogen 2.839 N/A SER 117.A OG LYS 113.A O no hydrogen 3.562 N/A SER 117.A OG MET 114.A O no hydrogen 2.739 N/A ALA 118.A N HIS 115.A O no hydrogen 3.128 N/A MET 119.A N SER 117.A OG no hydrogen 3.251 N/A TYR 120.A OH GLU 111.A OE1 no hydrogen 2.762 N/A CYS 123.A N MET 119.A O no hydrogen 3.005 N/A CYS 123.A SG MET 119.A O no hydrogen 3.527 N/A GLN 124.A N TYR 120.A O no hydrogen 2.904 N/A GLY 125.A N GLU 121.A O no hydrogen 3.073 N/A MET 126.A N LEU 122.A O no hydrogen 3.079 N/A HIS 127.A N CYS 123.A O no hydrogen 2.755 N/A HIS 127.A NE2 SER 98.A O no hydrogen 3.012 N/A GLN 128.A N GLN 124.A O no hydrogen 2.894 N/A SER 130.A N MET 126.A O no hydrogen 3.352 N/A SER 130.A OG SER 89.A O no hydrogen 3.153 N/A SER 130.A OG MET 126.A O no hydrogen 3.563 N/A LEU 131.A N HIS 127.A O no hydrogen 2.948 N/A GLN 132.A N GLN 128.A O no hydrogen 3.075 N/A PHE 133.A N ILE 129.A O no hydrogen 3.004 N/A VAL 134.A N SER 130.A O no hydrogen 3.322 N/A ARG 135.A N LEU 131.A O no hydrogen 3.103 N/A LEU 136.A N GLN 132.A O no hydrogen 2.850 N/A GLN 137.A N VAL 134.A O no hydrogen 3.082 N/A LEU 138.A N PHE 133.A O no hydrogen 3.026 N/A THR 139.A N GLU 142.A OE2 no hydrogen 2.984 N/A THR 139.A OG1 GLU 141.A OE1 no hydrogen 3.460 N/A GLU 142.A N THR 139.A OG1 no hydrogen 3.167 N/A TYR 143.A N THR 139.A O no hydrogen 2.851 N/A THR 144.A N PHE 140.A O no hydrogen 2.958 N/A THR 144.A OG1 PHE 140.A O no hydrogen 3.353 N/A THR 144.A OG1 GLU 141.A O no hydrogen 2.891 N/A ILE 145.A N GLU 141.A O no hydrogen 3.270 N/A MET 146.A N GLU 142.A O no hydrogen 2.912 N/A LYS 147.A N TYR 143.A O no hydrogen 2.907 N/A LYS 147.A NZ GLU 20.A OE1 no hydrogen 3.112 N/A LYS 147.A NZ GLU 20.A OE2 no hydrogen 2.699 N/A VAL 148.A N THR 144.A O no hydrogen 3.299 N/A LEU 149.A N ILE 145.A O no hydrogen 3.011 N/A LEU 150.A N MET 146.A O no hydrogen 2.987 N/A LEU 151.A N LYS 147.A O no hydrogen 3.153 N/A LEU 152.A N VAL 148.A O no hydrogen 3.203 N/A LEU 152.A N LEU 149.A O no hydrogen 3.031 N/A SER 153.A N LEU 150.A O no hydrogen 3.073 N/A SER 153.A OG LEU 149.A O no hydrogen 2.579 N/A ILE 155.A N LYS 246.A O no hydrogen 3.065 N/A LYS 157.A N ASN 244.A O no hydrogen 2.782 N/A GLY 159.A N PRO 156.A O no hydrogen 2.674 N/A LEU 160.A N GLN 163.A OE1 no hydrogen 2.736 N/A LYS 161.A N ASP 71.A OD1 no hydrogen 2.729 N/A SER 162.A N ASP 71.A OD2 no hydrogen 2.921 N/A GLN 163.A NE2 GLU 167.A OE2 no hydrogen 3.269 N/A PHE 166.A N SER 162.A O no hydrogen 3.124 N/A GLU 167.A N GLN 163.A O no hydrogen 3.058 N/A GLU 168.A N ALA 164.A O no hydrogen 3.146 N/A MET 169.A N ALA 165.A O no hydrogen 3.002 N/A ARG 170.A N PHE 166.A O no hydrogen 2.862 N/A ARG 170.A NE LEU 152.A O no hydrogen 3.330 N/A THR 171.A N GLU 167.A O no hydrogen 2.951 N/A THR 171.A OG1 GLU 167.A O no hydrogen 3.101 N/A ASN 172.A N GLU 168.A O no hydrogen 3.106 N/A TYR 173.A N MET 169.A O no hydrogen 3.186 N/A TYR 173.A OH PRO 62.A O no hydrogen 2.690 N/A ILE 174.A N ARG 170.A O no hydrogen 2.989 N/A LYS 175.A N THR 171.A O no hydrogen 2.937 N/A GLU 176.A N ASN 172.A O no hydrogen 2.909 N/A LEU 177.A N TYR 173.A O no hydrogen 3.069 N/A ARG 178.A N ILE 174.A O no hydrogen 3.054 N/A LYS 179.A N LYS 175.A O no hydrogen 2.837 N/A MET 180.A N GLU 176.A O no hydrogen 2.940 N/A VAL 181.A N LEU 177.A O no hydrogen 3.100 N/A THR 182.A N ARG 178.A O no hydrogen 3.314 N/A THR 182.A OG1 ARG 178.A O no hydrogen 2.756 N/A ARG 189.A N GLN 185.A O no hydrogen 3.004 N/A ARG 189.A NE GLU 142.A OE1 no hydrogen 2.899 N/A ARG 189.A NH1 LEU 136.A O no hydrogen 2.572 N/A ARG 189.A NH2 LEU 136.A O no hydrogen 3.135 N/A ARG 189.A NH2 GLN 137.A O no hydrogen 3.408 N/A ARG 189.A NH2 GLU 142.A OE1 no hydrogen 3.278 N/A ARG 189.A NH2 GLU 142.A OE2 no hydrogen 2.601 N/A PHE 190.A N SER 186.A O no hydrogen 3.045 N/A TYR 191.A N TRP 187.A O no hydrogen 2.946 N/A GLN 192.A N GLN 188.A O no hydrogen 2.888 N/A LEU 193.A N ARG 189.A O no hydrogen 3.010 N/A THR 194.A N PHE 190.A O no hydrogen 2.968 N/A THR 194.A OG1 PHE 190.A O no hydrogen 3.175 N/A THR 194.A OG1 TYR 191.A O no hydrogen 3.182 N/A LYS 195.A N TYR 191.A O no hydrogen 3.030 N/A LEU 196.A N GLN 192.A O no hydrogen 2.982 N/A LEU 197.A N LEU 193.A O no hydrogen 2.939 N/A ASP 198.A N THR 194.A O no hydrogen 3.077 N/A SER 199.A N LYS 195.A O no hydrogen 3.089 N/A SER 199.A OG LEU 196.A O no hydrogen 2.481 N/A MET 200.A N LEU 196.A O no hydrogen 3.267 N/A MET 200.A N LEU 197.A O no hydrogen 3.007 N/A HIS 201.A N ASP 198.A O no hydrogen 3.079 N/A LEU 203.A N SER 199.A O no hydrogen 3.470 N/A VAL 204.A N MET 200.A O no hydrogen 2.818 N/A SER 205.A N HIS 201.A O no hydrogen 2.957 N/A ASP 206.A N ASP 202.A O no hydrogen 3.240 N/A LEU 207.A N LEU 203.A O no hydrogen 2.934 N/A LEU 208.A N VAL 204.A O no hydrogen 2.829 N/A GLU 209.A N SER 205.A O no hydrogen 3.068 N/A PHE 210.A N ASP 206.A O no hydrogen 3.251 N/A CYS 211.A N LEU 207.A O no hydrogen 2.836 N/A PHE 212.A N LEU 208.A O no hydrogen 2.690 N/A TYR 213.A N GLU 209.A O no hydrogen 3.157 N/A THR 214.A N PHE 210.A O no hydrogen 3.027 N/A THR 214.A OG1 PHE 210.A O no hydrogen 3.364 N/A THR 214.A OG1 CYS 211.A O no hydrogen 3.194 N/A PHE 215.A N CYS 211.A O no hydrogen 2.960 N/A ARG 216.A N PHE 212.A O no hydrogen 2.930 N/A ARG 216.A NH2 GLU 241.A OE2 no hydrogen 2.880 N/A GLU 217.A N TYR 213.A O no hydrogen 2.981 N/A SER 218.A N PHE 215.A O no hydrogen 3.350 N/A LEU 221.A N GLU 217.A O no hydrogen 2.905 N/A LYS 222.A N HIS 219.A O no hydrogen 3.324 N/A VAL 223.A N SER 218.A O no hydrogen 3.067 N/A GLU 224.A N SER 41.A OG no hydrogen 2.934 N/A VAL 230.A N PRO 226.A O no hydrogen 3.025 N/A GLU 231.A N ALA 227.A O no hydrogen 2.860 N/A ILE 232.A N MET 228.A O no hydrogen 3.084 N/A ILE 233.A N LEU 229.A O no hydrogen 2.779 N/A SER 234.A N VAL 230.A O no hydrogen 2.875 N/A SER 234.A OG VAL 230.A O no hydrogen 2.662 N/A GLN 236.A N ILE 232.A O no hydrogen 2.877 N/A LEU 237.A N ILE 233.A O no hydrogen 2.853 N/A LYS 239.A NZ ASP 235.A OD1 no hydrogen 3.563 N/A VAL 240.A N GLN 236.A O no hydrogen 2.899 N/A GLU 241.A N LEU 237.A O no hydrogen 2.945 N/A SER 242.A N PRO 238.A O no hydrogen 3.019 N/A SER 242.A OG PRO 238.A O no hydrogen 2.894 N/A SER 242.A OG LYS 239.A O no hydrogen 2.850 N/A SER 242.A OG ASN 244.A OD1 no hydrogen 2.847 N/A GLY 243.A N VAL 240.A O no hydrogen 3.035 N/A ASN 244.A N LYS 239.A O no hydrogen 2.911 N/A LYS 246.A N ILE 155.A O no hydrogen 2.654 N/A LEU 248.A N SER 153.A O no hydrogen 2.816 N/A PHE 250.A N ASP 198.A OD1 no hydrogen 3.172 N/A PHE 250.A N ASP 198.A OD2 no hydrogen 2.862 N/A HIS 251.A N ASP 198.A OD1 no hydrogen 2.845 N/A