Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 9.A N SER 6.A O no hydrogen 3.293 N/A LEU 11.A N PRO 7.A O no hydrogen 2.662 N/A GLU 12.A N VAL 8.A O no hydrogen 3.089 N/A ASN 13.A N MET 9.A O no hydrogen 3.250 N/A ASN 13.A N VAL 10.A O no hydrogen 2.920 N/A ILE 14.A N VAL 10.A O no hydrogen 3.159 N/A ALA 21.A N ASP 101.A OD1 no hydrogen 2.936 N/A GLY 22.A N ASP 101.A OD2 no hydrogen 2.654 N/A TYR 23.A N ASP 101.A OD2 no hydrogen 2.995 N/A TYR 23.A OH ASP 29.A OD1 no hydrogen 2.251 N/A SER 26.A OG ASP 24.A OD1 no hydrogen 3.170 N/A SER 26.A OG ASP 24.A OD2 no hydrogen 2.628 N/A LYS 27.A N ASP 24.A O no hydrogen 3.031 N/A GLU 32.A N GLU 32.A OE1 no hydrogen 2.662 N/A ASN 33.A N THR 30.A OG1 no hydrogen 3.025 N/A ASN 33.A ND2 PRO 28.A O no hydrogen 3.054 N/A LEU 34.A N THR 30.A O no hydrogen 2.964 N/A LEU 35.A N ALA 31.A O no hydrogen 2.934 N/A SER 36.A N GLU 32.A O no hydrogen 3.018 N/A SER 36.A OG GLU 32.A O no hydrogen 2.803 N/A THR 37.A N ASN 33.A O no hydrogen 2.906 N/A THR 37.A OG1 ASN 33.A O no hydrogen 2.691 N/A LEU 38.A N LEU 34.A O no hydrogen 2.869 N/A ASN 39.A N LEU 35.A O no hydrogen 2.779 N/A ASN 39.A ND2 GLU 224.A O no hydrogen 3.045 N/A ARG 40.A N SER 36.A O no hydrogen 2.969 N/A ARG 40.A NH2 GLU 224.A OE1 no hydrogen 3.533 N/A LEU 41.A N THR 37.A O no hydrogen 2.928 N/A ALA 42.A N LEU 38.A O no hydrogen 2.938 N/A GLY 43.A N ASN 39.A O no hydrogen 3.058 N/A LYS 44.A N ARG 40.A O no hydrogen 3.221 N/A LYS 44.A NZ TYR 20.A O no hydrogen 2.614 N/A GLN 45.A N LEU 41.A O no hydrogen 2.973 N/A MET 46.A N ALA 42.A O no hydrogen 2.821 N/A ILE 47.A N LYS 44.A O no hydrogen 3.287 N/A VAL 49.A N GLN 45.A O no hydrogen 2.840 N/A VAL 50.A N MET 46.A O no hydrogen 2.977 N/A LYS 51.A N ILE 47.A O no hydrogen 3.079 N/A TRP 52.A N GLN 48.A O no hydrogen 2.787 N/A ALA 53.A N VAL 49.A O no hydrogen 2.843 N/A LYS 54.A N VAL 50.A O no hydrogen 2.844 N/A VAL 55.A N TRP 52.A O no hydrogen 3.404 N/A LEU 56.A N ALA 53.A O no hydrogen 2.922 N/A LYS 60.A N LEU 56.A O no hydrogen 3.001 N/A ASN 61.A N GLY 58.A O no hydrogen 2.770 N/A LEU 62.A N PHE 59.A O no hydrogen 3.055 N/A ASP 66.A N PRO 63.A O no hydrogen 3.032 N/A GLN 67.A N PRO 63.A O no hydrogen 3.085 N/A GLN 67.A NE2 PHE 59.A O no hydrogen 2.879 N/A ILE 68.A N LEU 64.A O no hydrogen 2.989 N/A THR 69.A N GLU 65.A O no hydrogen 3.092 N/A THR 69.A OG1 GLU 65.A O no hydrogen 2.966 N/A LEU 70.A N ASP 66.A O no hydrogen 2.887 N/A ILE 71.A N GLN 67.A O no hydrogen 2.971 N/A GLN 72.A N ILE 68.A O no hydrogen 2.926 N/A GLN 72.A NE2 ASP 235.A OD2 no hydrogen 3.338 N/A TYR 73.A N THR 69.A O no hydrogen 2.996 N/A SER 74.A N LEU 70.A O no hydrogen 2.992 N/A SER 74.A OG LEU 70.A O no hydrogen 2.809 N/A TRP 75.A NE1 GLN 236.A OE1 no hydrogen 2.753 N/A LEU 78.A N SER 74.A O no hydrogen 2.923 N/A SER 79.A N TRP 75.A O no hydrogen 2.929 N/A SER 79.A OG TRP 75.A O no hydrogen 2.795 N/A SER 80.A N MET 76.A O no hydrogen 2.931 N/A PHE 81.A N SER 77.A O no hydrogen 2.947 N/A ALA 82.A N LEU 78.A O no hydrogen 2.931 N/A LEU 83.A N SER 79.A O no hydrogen 2.988 N/A SER 84.A N SER 80.A O no hydrogen 3.028 N/A SER 84.A OG SER 80.A O no hydrogen 3.335 N/A SER 84.A OG MET 121.A O no hydrogen 3.074 N/A SER 84.A OG SER 125.A OG no hydrogen 3.237 N/A TRP 85.A N PHE 81.A O no hydrogen 2.961 N/A ARG 86.A N ALA 82.A O no hydrogen 2.961 N/A ARG 86.A NE TYR 97.A O no hydrogen 3.116 N/A ARG 86.A NH2 PHE 98.A O no hydrogen 3.078 N/A SER 87.A N LEU 83.A O no hydrogen 2.918 N/A SER 87.A OG LEU 83.A O no hydrogen 2.831 N/A SER 87.A OG PHE 95.A O no hydrogen 3.224 N/A TYR 88.A N SER 84.A O no hydrogen 2.932 N/A TYR 88.A OH LEU 133.A O no hydrogen 2.917 N/A LYS 89.A N TRP 85.A O no hydrogen 2.832 N/A HIS 90.A N ARG 86.A O no hydrogen 2.786 N/A THR 91.A N SER 87.A O no hydrogen 2.995 N/A THR 91.A OG1 SER 87.A O no hydrogen 2.701 N/A THR 91.A OG1 PHE 95.A O no hydrogen 3.493 N/A ASN 92.A N TYR 88.A O no hydrogen 3.000 N/A SER 93.A N SER 87.A O no hydrogen 2.889 N/A SER 93.A OG SER 125.A O no hydrogen 2.826 N/A GLN 94.A N THR 91.A O no hydrogen 3.119 N/A GLN 94.A N THR 91.A OG1 no hydrogen 3.059 N/A PHE 95.A N THR 91.A OG1 no hydrogen 3.174 N/A LEU 96.A N PHE 104.A O no hydrogen 3.086 N/A TYR 97.A N SER 87.A OG no hydrogen 2.901 N/A PHE 98.A N LEU 96.A O no hydrogen 3.132 N/A ALA 99.A N LEU 102.A O no hydrogen 3.113 N/A LEU 102.A N ALA 99.A O no hydrogen 2.803 N/A PHE 104.A N LEU 96.A O no hydrogen 2.798 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.599 N/A LYS 108.A N ASN 105.A OD1 no hydrogen 3.091 N/A LYS 108.A NZ ASP 29.A OD2 no hydrogen 3.392 N/A MET 109.A N ASN 105.A O no hydrogen 3.108 N/A HIS 110.A N GLU 106.A O no hydrogen 3.226 N/A GLN 111.A N GLU 107.A O no hydrogen 3.172 N/A GLN 111.A NE2 ASP 29.A O no hydrogen 3.630 N/A SER 112.A N LYS 108.A O no hydrogen 2.877 N/A SER 112.A OG MET 109.A O no hydrogen 2.763 N/A ALA 113.A N HIS 110.A O no hydrogen 3.265 N/A MET 114.A N SER 112.A OG no hydrogen 3.022 N/A TYR 115.A OH GLU 106.A OE2 no hydrogen 2.210 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.719 N/A CYS 118.A N MET 114.A O no hydrogen 2.938 N/A CYS 118.A SG MET 114.A O no hydrogen 3.514 N/A GLN 119.A N TYR 115.A O no hydrogen 2.982 N/A GLY 120.A N GLU 116.A O no hydrogen 3.024 N/A MET 121.A N LEU 117.A O no hydrogen 3.045 N/A HIS 122.A N CYS 118.A O no hydrogen 2.768 N/A HIS 122.A NE2 SER 93.A O no hydrogen 3.195 N/A GLN 123.A N GLN 119.A O no hydrogen 2.837 N/A ILE 124.A N GLY 120.A O no hydrogen 3.392 N/A ILE 124.A N MET 121.A O no hydrogen 3.171 N/A SER 125.A N MET 121.A O no hydrogen 3.280 N/A SER 125.A OG SER 84.A OG no hydrogen 3.237 N/A SER 125.A OG MET 121.A O no hydrogen 3.269 N/A LEU 126.A N HIS 122.A O no hydrogen 2.911 N/A GLN 127.A N GLN 123.A O no hydrogen 3.114 N/A PHE 128.A N ILE 124.A O no hydrogen 3.106 N/A VAL 129.A N SER 125.A O no hydrogen 3.271 N/A ARG 130.A N LEU 126.A O no hydrogen 2.984 N/A ARG 130.A NE GLN 127.A OE1 no hydrogen 2.960 N/A ARG 130.A NH2 GLN 127.A OE1 no hydrogen 3.283 N/A LEU 131.A N GLN 127.A O no hydrogen 2.956 N/A GLN 132.A N VAL 129.A O no hydrogen 3.168 N/A GLN 132.A NE2 VAL 129.A O no hydrogen 2.699 N/A LEU 133.A N PHE 128.A O no hydrogen 3.048 N/A THR 134.A N GLU 137.A OE1 no hydrogen 2.949 N/A THR 134.A OG1 GLU 136.A OE1 no hydrogen 2.652 N/A TYR 138.A N THR 134.A O no hydrogen 2.897 N/A THR 139.A N PHE 135.A O no hydrogen 2.990 N/A THR 139.A OG1 PHE 135.A O no hydrogen 3.477 N/A THR 139.A OG1 GLU 136.A O no hydrogen 2.830 N/A ILE 140.A N GLU 136.A O no hydrogen 3.323 N/A MET 141.A N GLU 137.A O no hydrogen 2.915 N/A LYS 142.A N TYR 138.A O no hydrogen 2.908 N/A LYS 142.A NZ GLU 15.A OE2 no hydrogen 3.193 N/A VAL 143.A N THR 139.A O no hydrogen 3.293 N/A LEU 144.A N ILE 140.A O no hydrogen 2.991 N/A LEU 145.A N MET 141.A O no hydrogen 2.866 N/A LEU 146.A N LYS 142.A O no hydrogen 3.006 N/A LEU 147.A N VAL 143.A O no hydrogen 3.003 N/A SER 148.A N LEU 145.A O no hydrogen 2.986 N/A SER 148.A OG LEU 145.A O no hydrogen 2.467 N/A ILE 150.A N LYS 246.A O no hydrogen 3.103 N/A LYS 152.A N ASN 244.A O no hydrogen 2.661 N/A GLY 154.A N PRO 151.A O no hydrogen 2.856 N/A LEU 155.A N GLN 158.A OE1 no hydrogen 2.785 N/A LYS 156.A N ASP 66.A OD1 no hydrogen 2.817 N/A SER 157.A N ASP 66.A OD2 no hydrogen 2.921 N/A GLN 158.A NE2 GLU 162.A OE2 no hydrogen 2.825 N/A PHE 161.A N SER 157.A O no hydrogen 3.007 N/A GLU 162.A N GLN 158.A O no hydrogen 2.857 N/A GLU 163.A N ALA 159.A O no hydrogen 3.124 N/A MET 164.A N ALA 160.A O no hydrogen 3.069 N/A ARG 165.A N PHE 161.A O no hydrogen 2.892 N/A ARG 165.A NE LEU 147.A O no hydrogen 3.109 N/A THR 166.A N GLU 162.A O no hydrogen 2.982 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.901 N/A ASN 167.A N GLU 163.A O no hydrogen 3.032 N/A TYR 168.A N MET 164.A O no hydrogen 3.020 N/A TYR 168.A OH PRO 57.A O no hydrogen 2.686 N/A ILE 169.A N ARG 165.A O no hydrogen 2.988 N/A LYS 170.A N THR 166.A O no hydrogen 2.922 N/A GLU 171.A N ASN 167.A O no hydrogen 2.795 N/A LEU 172.A N TYR 168.A O no hydrogen 2.989 N/A ARG 173.A N ILE 169.A O no hydrogen 2.999 N/A LYS 174.A N LYS 170.A O no hydrogen 2.916 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 2.595 N/A LYS 174.A NZ GLU 171.A OE2 no hydrogen 2.985 N/A MET 175.A N GLU 171.A O no hydrogen 3.038 N/A VAL 176.A N LEU 172.A O no hydrogen 2.845 N/A THR 177.A N LYS 174.A O no hydrogen 3.067 N/A THR 177.A OG1 ARG 173.A O no hydrogen 2.901 N/A LYS 178.A N LYS 174.A O no hydrogen 3.323 N/A LYS 178.A N MET 175.A O no hydrogen 2.813 N/A SER 186.A N GLY 184.A O no hydrogen 2.937 N/A SER 186.A OG VAL 176.A O no hydrogen 3.136 N/A SER 186.A OG ASN 181.A O no hydrogen 3.275 N/A SER 186.A OG GLN 185.A O no hydrogen 2.558 N/A TRP 187.A N SER 183.A O no hydrogen 3.315 N/A GLN 188.A N GLY 184.A O no hydrogen 3.241 N/A ARG 189.A NE GLU 137.A OE2 no hydrogen 2.528 N/A ARG 189.A NH1 LEU 131.A O no hydrogen 2.852 N/A ARG 189.A NH2 LEU 131.A O no hydrogen 2.858 N/A ARG 189.A NH2 GLN 132.A O no hydrogen 3.387 N/A ARG 189.A NH2 GLU 137.A OE1 no hydrogen 2.820 N/A PHE 190.A N SER 186.A O no hydrogen 2.953 N/A TYR 191.A N TRP 187.A O no hydrogen 3.278 N/A GLN 192.A N GLN 188.A O no hydrogen 2.994 N/A LEU 193.A N ARG 189.A O no hydrogen 2.833 N/A THR 194.A N PHE 190.A O no hydrogen 3.062 N/A THR 194.A OG1 PHE 190.A O no hydrogen 2.912 N/A THR 194.A OG1 TYR 191.A O no hydrogen 3.126 N/A THR 194.A OG1 HIS 251.A NE2 no hydrogen 2.828 N/A LYS 195.A N TYR 191.A O no hydrogen 2.936 N/A LEU 196.A N GLN 192.A O no hydrogen 2.904 N/A LEU 197.A N LEU 193.A O no hydrogen 2.926 N/A ASP 198.A N THR 194.A O no hydrogen 3.121 N/A SER 199.A N LYS 195.A O no hydrogen 3.097 N/A SER 199.A OG LEU 196.A O no hydrogen 2.502 N/A MET 200.A N LEU 196.A O no hydrogen 3.232 N/A MET 200.A N LEU 197.A O no hydrogen 3.118 N/A HIS 201.A N ASP 198.A O no hydrogen 3.042 N/A HIS 201.A NE2 LEU 248.A O no hydrogen 2.949 N/A LEU 203.A N SER 199.A O no hydrogen 3.372 N/A VAL 204.A N MET 200.A O no hydrogen 2.853 N/A SER 205.A N HIS 201.A O no hydrogen 2.985 N/A ASP 206.A N ASP 202.A O no hydrogen 3.317 N/A LEU 207.A N LEU 203.A O no hydrogen 2.932 N/A LEU 208.A N VAL 204.A O no hydrogen 2.794 N/A GLU 209.A N SER 205.A O no hydrogen 3.176 N/A PHE 210.A N ASP 206.A O no hydrogen 3.270 N/A CYS 211.A N LEU 207.A O no hydrogen 2.900 N/A PHE 212.A N LEU 208.A O no hydrogen 2.772 N/A TYR 213.A N GLU 209.A O no hydrogen 3.185 N/A THR 214.A N PHE 210.A O no hydrogen 3.008 N/A THR 214.A OG1 PHE 210.A O no hydrogen 3.234 N/A THR 214.A OG1 CYS 211.A O no hydrogen 2.997 N/A PHE 215.A N CYS 211.A O no hydrogen 2.956 N/A ARG 216.A N PHE 212.A O no hydrogen 2.999 N/A GLU 217.A N TYR 213.A O no hydrogen 2.859 N/A SER 218.A N PHE 215.A O no hydrogen 3.317 N/A SER 218.A OG VAL 223.A O no hydrogen 2.693 N/A LEU 221.A N GLU 217.A O no hydrogen 2.925 N/A VAL 223.A N SER 218.A O no hydrogen 3.162 N/A GLU 224.A N SER 36.A OG no hydrogen 3.041 N/A LEU 229.A N PRO 226.A O no hydrogen 2.858 N/A VAL 230.A N PRO 226.A O no hydrogen 2.985 N/A GLU 231.A N ALA 227.A O no hydrogen 3.044 N/A ILE 232.A N MET 228.A O no hydrogen 3.411 N/A ILE 233.A N LEU 229.A O no hydrogen 2.851 N/A SER 234.A N VAL 230.A O no hydrogen 2.945 N/A SER 234.A OG VAL 230.A O no hydrogen 2.639 N/A ASP 235.A N GLU 231.A O no hydrogen 3.404 N/A ASP 235.A N ILE 232.A O no hydrogen 3.102 N/A GLN 236.A N ILE 232.A O no hydrogen 2.843 N/A LEU 237.A N ILE 233.A O no hydrogen 2.855 N/A VAL 240.A N GLN 236.A O no hydrogen 2.980 N/A GLU 241.A N LEU 237.A O no hydrogen 2.930 N/A SER 242.A N LYS 239.A O no hydrogen 3.172 N/A SER 242.A OG PRO 238.A O no hydrogen 3.146 N/A SER 242.A OG LYS 239.A O no hydrogen 2.801 N/A GLY 243.A N VAL 240.A O no hydrogen 3.294 N/A ASN 244.A N LYS 239.A O no hydrogen 3.032 N/A LYS 246.A N ILE 150.A O no hydrogen 2.728 N/A LEU 248.A N SER 148.A O no hydrogen 2.697 N/A PHE 250.A N ASP 198.A OD1 no hydrogen 2.842 N/A PHE 250.A N ASP 198.A OD2 no hydrogen 3.136 N/A HIS 251.A N ASP 198.A OD2 no hydrogen 2.842 N/A HIS 251.A NE2 THR 194.A OG1 no hydrogen 2.828 N/A LYS 253.A NZ PRO 247.A O no hydrogen 3.175 N/A