Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ir1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N THR 30.A O no hydrogen 2.952 N/A VAL 4.A N ASP 52.A OD2 no hydrogen 2.899 N/A PHE 5.A N LYS 32.A O no hydrogen 2.685 N/A GLY 6.A N ILE 53.A O no hydrogen 2.871 N/A THR 7.A N VAL 34.A O no hydrogen 3.024 N/A THR 7.A OG1 THR 8.A O no hydrogen 2.946 N/A VAL 9.A N PHE 36.A O no hydrogen 2.830 N/A PHE 12.A N ASP 11.A OD2 no hydrogen 2.691 N/A ASP 14.A N GLY 10.A O no hydrogen 2.819 N/A MET 15.A N ASP 11.A O no hydrogen 3.028 N/A LYS 17.A N GLY 13.A O no hydrogen 3.117 N/A GLU 18.A N ASP 14.A O no hydrogen 2.793 N/A GLN 19.A N MET 15.A O no hydrogen 3.075 N/A ILE 20.A N MET 15.A O no hydrogen 2.956 N/A GLN 21.A N VAL 16.A O no hydrogen 2.684 N/A GLN 21.A NE2 GLU 25.A OE2 no hydrogen 3.104 N/A GLU 23.A N GLN 19.A O no hydrogen 3.297 N/A LEU 24.A N ILE 20.A O no hydrogen 2.954 N/A GLU 25.A N GLN 21.A O no hydrogen 2.879 N/A LYS 26.A N PRO 22.A O no hydrogen 3.261 N/A LYS 26.A N GLU 23.A O no hydrogen 3.292 N/A LYS 26.A NZ GLU 23.A OE1 no hydrogen 2.998 N/A LYS 27.A N LEU 24.A O no hydrogen 2.957 N/A LYS 27.A NZ ASP 212.A OD1 no hydrogen 3.059 N/A GLY 28.A N GLU 25.A O no hydrogen 3.012 N/A TYR 29.A N LEU 24.A O no hydrogen 3.311 N/A TYR 29.A OH ASP 212.A OD2 no hydrogen 2.276 N/A THR 30.A N LYS 1.A O no hydrogen 3.182 N/A LYS 32.A N ILE 3.A O no hydrogen 2.913 N/A VAL 34.A N PHE 5.A O no hydrogen 2.798 N/A PHE 36.A N THR 7.A O no hydrogen 2.777 N/A TYR 39.A OH ASN 173.A OD1 no hydrogen 2.595 N/A ARG 41.A N ASP 38.A OD2 no hydrogen 2.773 N/A ARG 41.A NE ASP 38.A OD1 no hydrogen 2.614 N/A ARG 41.A NH2 ASP 38.A OD1 no hydrogen 2.757 N/A ASN 43.A ND2 GLN 57.A OE1 no hydrogen 2.671 N/A ALA 45.A N ARG 41.A O no hydrogen 2.914 N/A LEU 46.A N PRO 42.A O no hydrogen 2.896 N/A ALA 47.A N ASN 43.A O no hydrogen 3.030 N/A GLU 48.A N LEU 44.A O no hydrogen 2.876 N/A GLY 49.A N ALA 45.A O no hydrogen 3.217 N/A GLY 49.A N LEU 46.A O no hydrogen 3.106 N/A LEU 51.A N ALA 45.A O no hydrogen 3.216 N/A ASP 52.A N VAL 4.A O no hydrogen 2.881 N/A ILE 53.A N VAL 4.A O no hydrogen 3.336 N/A ASN 54.A N ALA 199.A O no hydrogen 3.066 N/A ASN 54.A ND2 ASN 43.A OD1 no hydrogen 3.036 N/A VAL 55.A N GLY 6.A O no hydrogen 2.855 N/A GLN 57.A NE2 ASN 43.A OD1 no hydrogen 2.874 N/A GLN 57.A NE2 ASN 54.A OD1 no hydrogen 3.363 N/A HIS 58.A NE2 ASN 111.A OD1 no hydrogen 3.056 N/A LYS 59.A NZ ASP 63.A OD1 no hydrogen 3.548 N/A LYS 59.A NZ ASP 63.A OD2 no hydrogen 2.937 N/A TYR 61.A N HIS 58.A ND1 no hydrogen 3.189 N/A TYR 61.A OH TYR 39.A O no hydrogen 3.109 N/A LEU 62.A N HIS 58.A O no hydrogen 3.064 N/A ASP 63.A N LYS 59.A O no hydrogen 2.764 N/A ASP 64.A N PRO 60.A O no hydrogen 3.015 N/A PHE 65.A N TYR 61.A O no hydrogen 2.776 N/A LYS 66.A N LEU 62.A O no hydrogen 2.855 N/A LYS 67.A N ASP 63.A O no hydrogen 3.245 N/A GLU 68.A N ASP 64.A O no hydrogen 3.058 N/A HIS 69.A N PHE 65.A O no hydrogen 2.886 N/A ASN 70.A N LYS 67.A O no hydrogen 3.245 N/A LEU 71.A N LYS 66.A O no hydrogen 3.131 N/A THR 74.A N VAL 200.A O no hydrogen 2.833 N/A THR 74.A OG1 GLU 75.A OE1 no hydrogen 3.467 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.667 N/A VAL 76.A N SER 198.A O no hydrogen 2.899 N/A PHE 77.A N SER 198.A OG no hydrogen 3.331 N/A GLN 78.A NE2 VAL 195.A O no hydrogen 3.416 N/A VAL 79.A N ASN 196.A O no hydrogen 3.041 N/A THR 81.A N LYS 234.A O no hydrogen 2.814 N/A THR 81.A OG1 VAL 79.A O no hydrogen 2.824 N/A GLY 85.A N VAL 170.A O no hydrogen 3.478 N/A LEU 86.A N PHE 187.A O no hydrogen 2.909 N/A TYR 87.A N ALA 168.A O no hydrogen 2.654 N/A GLY 89.A N LEU 91.A O no hydrogen 3.129 N/A GLY 89.A N ASP 166.A O no hydrogen 2.775 N/A LYS 90.A N VAL 165.A O no hydrogen 2.683 N/A LEU 91.A N ASP 166.A O no hydrogen 3.087 N/A LYS 92.A N GLU 96.A OE2 no hydrogen 2.992 N/A LYS 92.A NZ GLY 89.A O no hydrogen 2.997 N/A GLU 95.A N SER 93.A OG no hydrogen 3.069 N/A GLU 96.A N SER 93.A O no hydrogen 2.862 N/A VAL 97.A N LEU 94.A O no hydrogen 3.114 N/A LYS 98.A N SER 101.A OG no hydrogen 2.933 N/A GLY 100.A N LYS 146.A O no hydrogen 3.065 N/A SER 101.A N LYS 98.A O no hydrogen 2.912 N/A SER 101.A OG LYS 98.A O no hydrogen 2.928 N/A SER 101.A OG ASP 166.A OD1 no hydrogen 3.421 N/A THR 102.A N ASP 166.A OD1 no hydrogen 3.008 N/A VAL 103.A N LYS 149.A O no hydrogen 2.934 N/A SER 104.A N PHE 167.A O no hydrogen 2.930 N/A SER 104.A OG SER 161.A OG no hydrogen 2.894 N/A SER 104.A OG PHE 167.A O no hydrogen 3.466 N/A ALA 105.A N VAL 151.A O no hydrogen 2.674 N/A ASN 107.A N LEU 153.A O no hydrogen 2.843 N/A ASN 111.A ND2 ASP 108.A OD1 no hydrogen 3.570 N/A ASN 111.A ND2 ASP 108.A OD2 no hydrogen 2.596 N/A PHE 112.A N ASP 108.A O no hydrogen 2.829 N/A ALA 113.A N PRO 109.A O no hydrogen 3.027 N/A ARG 114.A NE ASN 111.A OD1 no hydrogen 3.478 N/A ARG 114.A NH1 GLU 189.A OE1 no hydrogen 2.848 N/A ARG 114.A NH1 GLU 189.A OE2 no hydrogen 3.523 N/A ARG 114.A NH2 ASN 111.A OD1 no hydrogen 2.978 N/A VAL 115.A N PHE 112.A O no hydrogen 2.898 N/A LEU 116.A N PHE 112.A O no hydrogen 3.243 N/A VAL 117.A N ALA 113.A O no hydrogen 3.075 N/A MET 118.A N ARG 114.A O no hydrogen 3.066 N/A LEU 119.A N VAL 115.A O no hydrogen 2.894 N/A ASP 120.A N LEU 116.A O no hydrogen 2.973 N/A GLU 121.A N VAL 117.A O no hydrogen 3.084 N/A LEU 122.A N MET 118.A O no hydrogen 3.096 N/A GLY 123.A N ASP 120.A O no hydrogen 3.035 N/A TRP 124.A N LEU 119.A O no hydrogen 2.935 N/A ILE 125.A N LEU 119.A O no hydrogen 3.370 N/A LYS 126.A N GLU 143.A O no hydrogen 2.763 N/A LEU 127.A N ASP 120.A OD1 no hydrogen 2.889 N/A LYS 128.A N ASP 140.A O no hydrogen 2.801 N/A LYS 128.A NZ ALA 139.A O no hydrogen 3.213 N/A LEU 134.A N ASN 132.A OD1 no hydrogen 3.213 N/A THR 135.A N ASN 132.A O no hydrogen 3.088 N/A THR 135.A OG1 ASN 132.A O no hydrogen 3.472 N/A ALA 136.A N PRO 133.A O no hydrogen 3.290 N/A SER 137.A N ASP 140.A OD2 no hydrogen 2.847 N/A SER 137.A OG ASP 140.A OD2 no hydrogen 3.500 N/A LYS 138.A NZ GLU 152.A OE2 no hydrogen 2.962 N/A ASP 140.A N SER 137.A O no hydrogen 2.747 N/A ILE 141.A N LYS 138.A O no hydrogen 3.140 N/A ALA 142.A N LYS 126.A O no hydrogen 2.736 N/A GLU 143.A N LYS 126.A O no hydrogen 3.081 N/A ASN 144.A ND2 ILE 148.A O no hydrogen 3.120 N/A LYS 146.A N TRP 124.A O no hydrogen 2.911 N/A ASN 147.A N ASN 144.A O no hydrogen 2.819 N/A ILE 148.A N ASN 144.A OD1 no hydrogen 2.756 N/A LYS 149.A N SER 101.A O no hydrogen 2.936 N/A VAL 151.A N VAL 103.A O no hydrogen 2.664 N/A LEU 153.A N ALA 105.A O no hydrogen 2.973 N/A GLN 157.A N GLU 154.A O no hydrogen 2.936 N/A LEU 158.A N ALA 155.A O no hydrogen 3.359 N/A SER 161.A N LEU 158.A O no hydrogen 2.890 N/A SER 161.A OG SER 104.A OG no hydrogen 2.894 N/A SER 161.A OG LEU 158.A O no hydrogen 2.642 N/A ARG 162.A N PRO 159.A O no hydrogen 3.451 N/A ARG 162.A NE PRO 159.A O no hydrogen 2.601 N/A ARG 162.A NH2 PRO 159.A O no hydrogen 3.471 N/A ASP 164.A N SER 161.A O no hydrogen 2.789 N/A ASP 166.A N THR 102.A OG1 no hydrogen 3.048 N/A PHE 167.A N THR 102.A O no hydrogen 3.189 N/A ALA 168.A N TYR 87.A O no hydrogen 2.977 N/A VAL 169.A N SER 104.A O no hydrogen 3.029 N/A VAL 170.A N GLY 85.A O no hydrogen 2.953 N/A ASN 171.A ND2 ASN 111.A OD1 no hydrogen 3.043 N/A TYR 174.A OH THR 37.A O no hydrogen 2.585 N/A ALA 175.A N ASN 171.A O no hydrogen 2.973 N/A ILE 176.A N GLY 172.A O no hydrogen 2.876 N/A SER 177.A N ASN 173.A O no hydrogen 3.057 N/A SER 177.A OG ASN 173.A O no hydrogen 2.852 N/A SER 177.A OG TYR 174.A O no hydrogen 3.423 N/A SER 178.A N ALA 175.A O no hydrogen 3.187 N/A SER 178.A OG TYR 174.A O no hydrogen 3.059 N/A SER 178.A OG ALA 175.A O no hydrogen 2.898 N/A GLY 179.A N ILE 176.A O no hydrogen 3.213 N/A MET 180.A N ALA 175.A O no hydrogen 2.920 N/A LYS 181.A N GLU 184.A OE1 no hydrogen 2.782 N/A GLU 184.A N LYS 181.A O no hydrogen 2.894 N/A ALA 185.A N LEU 182.A O no hydrogen 3.172 N/A LEU 186.A N LEU 86.A O no hydrogen 2.806 N/A GLU 189.A N LEU 84.A O no hydrogen 3.050 N/A ALA 193.A N SER 191.A OG no hydrogen 2.990 N/A ASN 196.A N THR 81.A OG1 no hydrogen 2.810 N/A ASN 196.A ND2 TYR 194.A O no hydrogen 2.941 N/A TRP 197.A N GLN 57.A O no hydrogen 2.852 N/A SER 198.A N PHE 77.A O no hydrogen 2.846 N/A SER 198.A OG PHE 77.A O no hydrogen 3.360 N/A ALA 199.A N ASN 54.A O no hydrogen 2.930 N/A VAL 200.A N THR 74.A O no hydrogen 3.026 N/A LYS 201.A NZ LEU 46.A O no hydrogen 2.796 N/A THR 202.A N ASP 72.A O no hydrogen 2.982 N/A THR 202.A OG1 ASP 72.A O no hydrogen 3.276 N/A ASP 204.A N LYS 201.A O no hydrogen 2.921 N/A LYS 205.A N THR 202.A O no hydrogen 3.221 N/A LYS 205.A NZ GLU 75.A O no hydrogen 3.441 N/A SER 207.A N ASP 204.A O no hydrogen 2.981 N/A SER 207.A OG ASP 204.A O no hydrogen 3.028 N/A GLN 208.A NE2 ASP 212.A OD2 no hydrogen 3.160 N/A LEU 210.A N SER 207.A OG no hydrogen 3.233 N/A LYS 211.A N SER 207.A O no hydrogen 3.290 N/A ASP 212.A N GLN 208.A O no hydrogen 3.031 N/A VAL 213.A N TRP 209.A O no hydrogen 2.879 N/A THR 214.A N LEU 210.A O no hydrogen 2.815 N/A THR 214.A OG1 LEU 210.A O no hydrogen 2.628 N/A GLU 215.A N LYS 211.A O no hydrogen 3.148 N/A ALA 216.A N ASP 212.A O no hydrogen 3.025 N/A TYR 217.A N VAL 213.A O no hydrogen 3.139 N/A TYR 217.A N THR 214.A O no hydrogen 3.201 N/A ASN 218.A N GLU 215.A O no hydrogen 3.048 N/A ASN 218.A ND2 THR 214.A O no hydrogen 2.856 N/A PHE 222.A N SER 219.A OG no hydrogen 3.052 N/A LYS 223.A N SER 219.A O no hydrogen 3.049 N/A ALA 224.A N ASP 220.A O no hydrogen 2.858 N/A TYR 225.A N ALA 221.A O no hydrogen 2.943 N/A TYR 225.A OH GLU 18.A OE1 no hydrogen 2.754 N/A ALA 226.A N PHE 222.A O no hydrogen 2.718 N/A HIS 227.A N LYS 223.A O no hydrogen 3.052 N/A LYS 228.A N ALA 224.A O no hydrogen 3.339 N/A ARG 229.A N TYR 225.A O no hydrogen 2.916 N/A ARG 229.A NE GLU 18.A OE1 no hydrogen 2.875 N/A ARG 229.A NH1 ARG 229.A O no hydrogen 3.225 N/A ARG 229.A NH2 GLU 18.A OE1 no hydrogen 3.394 N/A ARG 229.A NH2 GLU 18.A OE2 no hydrogen 2.878 N/A PHE 230.A N ALA 226.A O no hydrogen 2.876 N/A TYR 233.A N PHE 230.A O no hydrogen 3.299 N/A TYR 233.A OH ASP 11.A OD1 no hydrogen 2.754 N/A LYS 234.A N THR 81.A O no hydrogen 2.822 N/A LYS 234.A NZ GLU 189.A O no hydrogen 3.084 N/A LYS 234.A NZ PRO 190.A O no hydrogen 3.496 N/A LYS 234.A NZ SER 191.A O no hydrogen 3.147 N/A ALA 237.A N GLN 78.A OE1 no hydrogen 2.921 N/A TRP 239.A N PRO 236.A O no hydrogen 2.993 N/A TRP 239.A NE1 ASN 218.A OD1 no hydrogen 2.806 N/A