Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iai_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLN 4.A OE1 no hydrogen 3.193 N/A GLN 4.A NE2 ARG 17.A O no hydrogen 2.743 N/A GLN 4.A NE2 VAL 18.A O no hydrogen 2.658 N/A HIS 6.A N ASP 3B.A O no hydrogen 3.052 N/A ARG 8.A NE ASP 12.A O.A no hydrogen 2.875 N/A ARG 8.A NE ASP 12.A O.B no hydrogen 2.876 N/A ARG 8.A NH2 ASP 12.A OD1.B no hydrogen 2.644 N/A TRP 15.A NE1 ARG 8.A O no hydrogen 3.101 N/A ARG 17.A N PRO 14.A O no hydrogen 2.890 N/A VAL 18.A N PRO 14.A O no hydrogen 3.347 N/A SER 19.A N TRP 15.A O no hydrogen 2.792 N/A SER 19.A OG PRO 201.A O no hydrogen 2.733 N/A CYS 22.A N SER 19.A O no hydrogen 2.949 N/A CYS 22.A SG TRP 15.A O no hydrogen 3.993 N/A ALA 23.A N PRO 20.A O no hydrogen 2.935 N/A GLY 24.A N ALA 21.A O no hydrogen 2.975 N/A PHE 26.A N GLN 204.A OE1 no hydrogen 2.934 N/A GLN 27.A NE2 CYS 202.A O no hydrogen 3.471 N/A GLN 27.A NE2 GLN 204.A OE1 no hydrogen 3.454 N/A SER 28.A N SER 196.A OG no hydrogen 3.159 N/A SER 28.A OG TYR 193.A OH no hydrogen 3.005 N/A SER 28.A OG SER 196.A O no hydrogen 3.268 N/A ILE 32.A N THR 106.A O no hydrogen 2.694 N/A ARG 33.A NH2 GLN 35.A OE1 no hydrogen 3.265 N/A LEU 36.A N ARG 33.A O no hydrogen 2.843 N/A ALA 37.A N PRO 34.A O no hydrogen 3.127 N/A ALA 38.A N ILE 252.A O no hydrogen 2.771 N/A SER 40.A N ALA 254.A O no hydrogen 2.899 N/A SER 40.A OG ALA 38.A O no hydrogen 2.991 N/A LEU 43.A N SER 40.A O no hydrogen 2.914 N/A LEU 46.A N PHE 187.A O no hydrogen 2.922 N/A GLU 47.A N ALA 79.A O no hydrogen 3.317 N/A LEU 49.A N GLU 77.A O no hydrogen 2.815 N/A LEU 59.A N VAL 174.A O no hydrogen 2.802 N/A LEU 61.A N THR 172.A O no hydrogen 2.870 N/A ARG 62.A N GLN 69.A O no hydrogen 2.801 N/A ASN 63.A N SER 170.A O.A no hydrogen 2.967 N/A ASN 63.A N SER 170.A O.B no hydrogen 2.985 N/A ASN 63.A ND2 ILE 165.A O no hydrogen 3.029 N/A ASN 63.A ND2 TRP 230.A O no hydrogen 3.274 N/A ASN 64.A N SER 67.A O no hydrogen 3.188 N/A GLY 65.A N ASN 63.A OD1 no hydrogen 2.814 N/A HIS 66.A N ASN 64.A OD1 no hydrogen 2.745 N/A HIS 66.A NE2 TRP 7.A O no hydrogen 3.008 N/A SER 67.A N ASN 64.A OD1 no hydrogen 2.950 N/A SER 67.A OG VAL 68.A O no hydrogen 3.281 N/A SER 67.A OG LEU 93.A O no hydrogen 2.588 N/A GLN 69.A N ARG 62.A O no hydrogen 2.737 N/A LEU 70.A N LEU 91.A O no hydrogen 2.913 N/A THR 71.A N ARG 60.A O no hydrogen 2.908 N/A LEU 72.A N LEU 89.A O no hydrogen 3.036 N/A GLU 77.A N LEU 49.A O no hydrogen 2.890 N/A MET 78.A N TYR 86.A O no hydrogen 2.874 N/A ALA 79.A N GLU 47.A O no hydrogen 2.900 N/A LEU 80.A N ARG 84.A O no hydrogen 3.024 N/A ARG 84.A N GLY 81.A O no hydrogen 3.016 N/A TYR 86.A N MET 78.A O no hydrogen 2.700 N/A TYR 86.A OH GLY 136.A O no hydrogen 2.672 N/A ARG 87.A N LEU 121.A O no hydrogen 3.024 N/A ARG 87.A NH1 LEU 121.A O no hydrogen 2.644 N/A ARG 87.A NH1 SER 122.A O no hydrogen 2.717 N/A ARG 87.A NH2 PHE 125.A O no hydrogen 2.620 N/A ALA 88.A N LEU 76.A O no hydrogen 2.922 N/A LEU 89.A N VAL 119.A O no hydrogen 2.795 N/A LEU 91.A N LEU 70.A O no hydrogen 3.107 N/A HIS 92.A N HIS 117.A O no hydrogen 2.951 N/A HIS 92.A ND1 GLN 90.A OE1 no hydrogen 2.904 N/A LEU 93.A N SER 67.A OG no hydrogen 3.073 N/A HIS 94.A N GLU 115.A O no hydrogen 2.968 N/A HIS 94.A ND1 ASN 240.A O no hydrogen 2.751 N/A TRP 95.A N ASN 240.A OD1 no hydrogen 2.773 N/A TRP 95.A NE1 LEU 237.A O no hydrogen 2.833 N/A ALA 97.A N ARG 100.A O no hydrogen 2.936 N/A ARG 100.A N ALA 97.A O no hydrogen 2.816 N/A GLY 102.A N PRO 113.A O no hydrogen 2.830 N/A SER 103.A N PHE 112.A O no hydrogen 2.993 N/A SER 103.A OG HIS 105.A O no hydrogen 2.905 N/A SER 103.A OG PHE 112.A O no hydrogen 3.367 N/A GLU 104.A N GLU 115.A OE1 no hydrogen 2.790 N/A HIS 105.A N GLU 115.A OE1 no hydrogen 2.891 N/A HIS 105.A ND1 GLU 115.A OE2 no hydrogen 2.904 N/A HIS 105.A NE2 TYR 193.A OH no hydrogen 2.658 N/A THR 106.A N VAL 30.A O no hydrogen 3.460 N/A THR 106.A OG1 ASP 31.A OD2 no hydrogen 2.656 N/A VAL 107.A N HIS 110.A O no hydrogen 3.000 N/A GLU 108.A N ILE 32.A O no hydrogen 2.748 N/A GLY 109.A N ASP 31.A OD2 no hydrogen 2.820 N/A HIS 110.A N VAL 107.A O no hydrogen 2.900 N/A ARG 111.A NH1 SER 103.A O no hydrogen 2.780 N/A PHE 112.A N SER 103.A OG no hydrogen 2.906 N/A ALA 114.A N LEU 145.A O no hydrogen 3.283 N/A GLU 115.A N HIS 94.A O no hydrogen 2.906 N/A ILE 116.A N ALA 143.A O no hydrogen 2.921 N/A HIS 117.A N HIS 92.A O no hydrogen 2.903 N/A HIS 117.A NE2 GLU 115.A OE2 no hydrogen 2.588 N/A VAL 118.A N LEU 141.A O no hydrogen 2.926 N/A VAL 119.A N GLN 90.A O no hydrogen 2.855 N/A HIS 120.A N ALA 139.A O no hydrogen 2.711 N/A HIS 120.A ND1 VAL 118.A O no hydrogen 3.005 N/A LEU 121.A N ARG 87.A O no hydrogen 2.843 N/A SER 122.A N GLY 137.A O no hydrogen 2.934 N/A THR 123.A N GLU 85.A O no hydrogen 3.129 N/A THR 123.A OG1 GLU 85.A O no hydrogen 3.495 N/A ALA 124.A N SER 122.A OG no hydrogen 3.201 N/A PHE 125.A N SER 122.A O no hydrogen 3.048 N/A ARG 127.A N GLU 130.A OE1 no hydrogen 2.956 N/A ARG 127.A NE ASP 129.A OD1 no hydrogen 3.150 N/A GLU 130.A N ARG 127.A O no hydrogen 3.112 N/A ALA 131.A N VAL 128.A O no hydrogen 2.767 N/A LEU 132.A N VAL 128.A O no hydrogen 2.964 N/A ARG 134.A N ALA 131.A O no hydrogen 2.974 N/A ARG 134.A NH1 GLU 130.A O no hydrogen 2.744 N/A GLY 136.A N GLY 205.A O no hydrogen 2.824 N/A GLY 137.A N ARG 134.A O no hydrogen 3.043 N/A ALA 139.A N HIS 120.A O no hydrogen 3.087 N/A VAL 140.A N ILE 207.A O no hydrogen 3.027 N/A LEU 141.A N VAL 118.A O no hydrogen 2.968 N/A ALA 142.A N THR 209.A O no hydrogen 2.835 N/A ALA 143.A N ILE 116.A O no hydrogen 3.161 N/A LEU 145.A N ALA 114.A O no hydrogen 2.808 N/A GLU 146.A N VAL 215.A O no hydrogen 2.835 N/A GLY 148.A N LEU 217.A O no hydrogen 2.713 N/A ASN 152.A N GLN 221.A OE1 no hydrogen 2.747 N/A ASN 152.A ND2 MET 216.A O no hydrogen 2.963 N/A TYR 155.A N ASN 152.A OD1 no hydrogen 3.027 N/A TYR 155.A OH LEU 182.A O no hydrogen 2.665 N/A GLU 156.A N ASN 152.A O no hydrogen 3.114 N/A GLU 156.A N SER 153.A O no hydrogen 3.265 N/A GLN 157.A N ALA 154.A O no hydrogen 3.335 N/A GLN 157.A NE2 ALA 154.A O no hydrogen 2.881 N/A LEU 158.A N TYR 155.A O no hydrogen 2.997 N/A LEU 159.A N TYR 155.A O no hydrogen 2.872 N/A SER 160.A N GLU 156.A O no hydrogen 3.009 N/A SER 160.A OG GLU 156.A O no hydrogen 2.824 N/A SER 160.A OG GLU 156.A OE2 no hydrogen 3.324 N/A ARG 161.A N LEU 158.A O no hydrogen 3.063 N/A ARG 161.A NH1 GLU 164.A OE1 no hydrogen 3.160 N/A LEU 162.A N LEU 159.A O no hydrogen 3.313 N/A GLU 164.A N ARG 161.A O no hydrogen 3.157 N/A ILE 165.A N LEU 162.A O no hydrogen 3.001 N/A GLY 169.A N ASN 63.A O no hydrogen 2.781 N/A SER 170.A N.A GLU 167.A O no hydrogen 3.055 N/A SER 170.A N.B GLU 167.A O no hydrogen 3.064 N/A SER 170.A OG.A GLU 167.A O no hydrogen 2.876 N/A SER 170.A OG.B GLU 167.A O no hydrogen 2.547 N/A THR 172.A N LEU 61.A O no hydrogen 2.938 N/A THR 172.A OG1 GLU 164.A OE2 no hydrogen 3.180 N/A VAL 174.A N LEU 59.A O no hydrogen 2.784 N/A GLY 176.A N PRO 55A.A O no hydrogen 2.870 N/A ILE 179.A N PHE 51.A O no hydrogen 2.907 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.583 N/A ALA 181.A N ASP 178.A O no hydrogen 3.132 N/A LEU 182.A N ILE 179.A O no hydrogen 3.087 N/A LEU 183.A N SER 180.A O no hydrogen 3.100 N/A ARG 189.A NE ASN 212.A OD1 no hydrogen 3.199 N/A ARG 189.A NH2 ASN 212.A OD1 no hydrogen 2.928 N/A TYR 190.A N SER 255.A OG no hydrogen 2.823 N/A TYR 190.A OH ARG 44.A O no hydrogen 2.685 N/A PHE 191.A N VAL 210.A O no hydrogen 2.880 N/A GLN 192.A N GLU 253.A O no hydrogen 2.825 N/A GLN 192.A NE2 THR 209.A OG1 no hydrogen 2.939 N/A TYR 193.A N TRP 208.A O no hydrogen 3.059 N/A TYR 193.A OH SER 28.A OG no hydrogen 3.005 N/A TYR 193.A OH HIS 105.A NE2 no hydrogen 2.658 N/A GLY 195.A N VAL 206.A O no hydrogen 2.722 N/A SER 196.A N SER 28.A OG no hydrogen 3.015 N/A SER 196.A OG LEU 197.A O no hydrogen 2.850 N/A LEU 197.A N ALA 203.A O no hydrogen 3.080 N/A THR 198.A OG1 GLU 104.A OE2 no hydrogen 2.505 N/A THR 199.A OG1 PRO 200.A O no hydrogen 3.534 N/A CYS 202.A N THR 199.A O no hydrogen 2.835 N/A VAL 206.A N GLY 195.A O no hydrogen 2.966 N/A ILE 207.A N LEU 138.A O no hydrogen 3.024 N/A TRP 208.A N TYR 193.A O no hydrogen 2.827 N/A TRP 208.A NE1 SER 196.A O no hydrogen 2.768 N/A THR 209.A N VAL 140.A O no hydrogen 3.123 N/A VAL 210.A N PHE 191.A O no hydrogen 2.867 N/A PHE 211.A N ALA 142.A O no hydrogen 2.933 N/A ASN 212.A N ARG 189.A O no hydrogen 2.882 N/A GLN 213.A NE2 SER 185.A OG no hydrogen 2.579 N/A THR 214.A OG1 GLU 146.A OE1 no hydrogen 2.656 N/A VAL 215.A N PHE 144.A O no hydrogen 3.127 N/A LEU 217.A N GLU 146.A O no hydrogen 2.838 N/A SER 218.A N GLN 221.A OE1 no hydrogen 3.115 N/A GLN 221.A N SER 218.A OG no hydrogen 3.089 N/A GLN 221.A NE2 ASN 152.A O no hydrogen 2.897 N/A LEU 222.A N SER 218.A O no hydrogen 2.998 N/A HIS 223.A N ALA 219.A O no hydrogen 2.958 N/A THR 224.A N LYS 220.A O no hydrogen 2.932 N/A THR 224.A OG1 LYS 220.A O no hydrogen 3.055 N/A LEU 225.A N GLN 221.A O no hydrogen 2.962 N/A SER 226.A N LEU 222.A O no hydrogen 3.164 N/A SER 226.A OG LEU 222.A O no hydrogen 3.093 N/A THR 228.A OG1 THR 224.A O no hydrogen 2.625 N/A TRP 230.A N ALA 166.A O no hydrogen 2.770 N/A GLY 231.A N SER 235.A O no hydrogen 2.726 N/A SER 235.A OG PRO 232.A O no hydrogen 3.104 N/A ARG 236.A NH1 ASP 227A.A O no hydrogen 3.267 N/A LEU 237.A N LEU 229.A O no hydrogen 2.839 N/A GLN 238.A NE2 SER 226.A O no hydrogen 2.790 N/A LEU 239.A N GLY 96.A O no hydrogen 3.048 N/A ASN 240.A N TRP 95.A O no hydrogen 3.209 N/A ASN 240.A ND2 HIS 66.A O no hydrogen 2.873 N/A ASN 240.A ND2 LEU 93.A O no hydrogen 3.274 N/A ARG 242.A N GLU 104.A OE1 no hydrogen 2.860 N/A ARG 242.A NH1 GLN 27.A OE1 no hydrogen 2.782 N/A ARG 242.A NH1 SER 28.A O no hydrogen 2.957 N/A ARG 242.A NH2 GLN 27.A OE1 no hydrogen 2.997 N/A GLN 245.A N PRO 29.A O no hydrogen 2.758 N/A GLN 245.A NE2 ALA 243.A O no hydrogen 2.826 N/A ASN 248.A ND2 ARG 25.A O no hydrogen 2.788 N/A ARG 250.A N LEU 247.A O no hydrogen 3.148 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.871 N/A ARG 250.A NH1 GLN 27.A O no hydrogen 3.044 N/A ARG 250.A NH1 GLU 194.A O no hydrogen 2.970 N/A ARG 250.A NH2 GLN 27.A O no hydrogen 2.901 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 2.880 N/A GLU 253.A N GLN 192.A O no hydrogen 2.895 N/A ALA 254.A N ALA 38.A O no hydrogen 2.846 N/A SER 255.A N TYR 190.A O no hydrogen 2.914 N/A SER 255.A OG TYR 190.A O no hydrogen 3.266 N/A SER 255.A OG SER 188A.A O no hydrogen 2.538 N/A SER 188A.A N ASP 186.A OD1 no hydrogen 2.756 N/A SER 188A.A OG ASP 186.A OD1 no hydrogen 2.512 N/A SER 188A.A OG ASP 186.A OD2 no hydrogen 3.502 N/A