Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3out_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N.A LEU 1.A O no hydrogen 3.140 N/A ARG 4.A N.B LEU 1.A O no hydrogen 3.143 N/A ARG 4.A NE.B GLU 64.A O no hydrogen 2.918 N/A ARG 4.A NH1.B GLN 63.A O no hydrogen 2.622 N/A ARG 4.A NH1.B GLU 64.A O no hydrogen 3.498 N/A ILE 6.A N ASP 29.A O no hydrogen 3.039 N/A GLY 7.A N ALA 67.A O no hydrogen 2.903 N/A VAL 8.A N ILE 31.A O no hydrogen 2.819 N/A PHE 9.A N ILE 69.A O no hydrogen 2.869 N/A ASP 10.A N PHE 33.A O no hydrogen 3.110 N/A SER 11.A OG ASP 10.A OD1 no hydrogen 3.485 N/A ILE 13.A N TYR 32.A OH no hydrogen 2.951 N/A GLY 14.A N GLY 12.A O no hydrogen 2.876 N/A GLY 15.A N ASP 10.A OD2 no hydrogen 2.816 N/A LEU 16.A N ILE 13.A O no hydrogen 3.457 N/A THR 17.A N.A GLY 14.A O no hydrogen 3.217 N/A THR 17.A N.B GLY 14.A O no hydrogen 3.241 N/A THR 17.A OG1.A GLY 14.A O no hydrogen 3.269 N/A ILE 18.A N GLY 15.A O no hydrogen 3.034 N/A LYS 20.A N LEU 16.A O no hydrogen 2.990 N/A ASN 21.A N THR 17.A O.A no hydrogen 2.958 N/A ASN 21.A N THR 17.A O.B no hydrogen 2.913 N/A LEU 22.A N ILE 18.A O no hydrogen 2.957 N/A ILE 24.A N ASN 21.A O no hydrogen 2.921 N/A LEU 25.A N LEU 22.A O no hydrogen 2.683 N/A GLU 28.A N LEU 25.A O no hydrogen 3.197 N/A ILE 30.A N GLU 225.A O no hydrogen 3.089 N/A ILE 31.A N ILE 6.A O no hydrogen 2.930 N/A TYR 32.A N ARG 227.A O no hydrogen 2.873 N/A TYR 32.A OH ASP 10.A OD2 no hydrogen 2.730 N/A PHE 33.A N VAL 8.A O no hydrogen 3.019 N/A GLY 34.A N TYR 229.A O no hydrogen 3.031 N/A ASP 35.A N SER 11.A O no hydrogen 2.755 N/A ALA 37.A N THR 231.A OG1 no hydrogen 2.957 N/A ARG 38.A N ASP 35.A O no hydrogen 3.027 N/A ARG 38.A NE ASP 35.A OD2 no hydrogen 2.743 N/A ARG 38.A NH1 GLN 55.A OE1 no hydrogen 2.838 N/A ARG 38.A NH2 ASP 35.A OD2 no hydrogen 3.060 N/A ARG 38.A NH2 GLN 55.A OE1 no hydrogen 2.868 N/A ILE 39.A N ASP 35.A O no hydrogen 3.178 N/A TYR 41.A OH ASP 35.A OD2 no hydrogen 2.692 N/A LYS 44.A N TYR 41.A O no hydrogen 3.044 N/A LYS 44.A NZ PRO 40.A O no hydrogen 2.797 N/A SER 45.A OG THR 48.A OG1 no hydrogen 3.367 N/A THR 48.A N SER 45.A OG no hydrogen 3.274 N/A THR 48.A OG1 SER 45.A OG no hydrogen 3.367 N/A ILE 49.A N SER 45.A O no hydrogen 2.955 N/A GLN 50.A N ARG 46.A O no hydrogen 3.022 N/A GLN 50.A NE2 ILE 78.A O no hydrogen 2.914 N/A LYS 51.A N ALA 47.A O no hydrogen 3.030 N/A PHE 52.A N THR 48.A O no hydrogen 2.882 N/A ALA 53.A N ILE 49.A O no hydrogen 2.868 N/A ALA 54.A N GLN 50.A O no hydrogen 3.100 N/A GLN 55.A N LYS 51.A O no hydrogen 3.377 N/A GLN 55.A NE2 TYR 258.A O no hydrogen 2.861 N/A THR 56.A N PHE 52.A O no hydrogen 3.252 N/A ALA 57.A N ALA 53.A O no hydrogen 2.961 N/A LYS 58.A N ALA 54.A O no hydrogen 3.123 N/A PHE 59.A N GLN 55.A O no hydrogen 3.008 N/A LEU 60.A N THR 56.A O no hydrogen 2.925 N/A ILE 61.A N ALA 57.A O no hydrogen 2.962 N/A ASP 62.A N LYS 58.A O no hydrogen 3.011 N/A GLN 63.A N LEU 60.A O no hydrogen 3.026 N/A GLN 63.A NE2 PHE 59.A O no hydrogen 3.033 N/A GLU 64.A N ILE 61.A O no hydrogen 2.958 N/A LYS 66.A N PRO 5.A O no hydrogen 2.974 N/A LYS 66.A NZ ASP 2.A O no hydrogen 2.827 N/A LYS 66.A NZ GLU 28.A OE1 no hydrogen 2.631 N/A LYS 66.A NZ GLU 28.A OE2 no hydrogen 3.484 N/A LYS 66.A NZ LEU 217.A O no hydrogen 2.532 N/A ILE 68.A N PRO 91.A O no hydrogen 2.982 N/A ILE 69.A N GLY 7.A O no hydrogen 2.978 N/A ILE 70.A N ILE 93.A O no hydrogen 2.808 N/A ALA 71.A N PHE 9.A O no hydrogen 2.937 N/A CYS 72.A SG SER 11.A OG no hydrogen 3.055 N/A THR 74.A OG1 THR 114.A OG1 no hydrogen 2.814 N/A THR 74.A OG1 THR 117.A OG1 no hydrogen 3.210 N/A SER 76.A N CYS 72.A O no hydrogen 3.051 N/A SER 76.A OG CYS 72.A O no hydrogen 2.859 N/A ALA 77.A N ASN 73.A O no hydrogen 2.788 N/A ILE 78.A N THR 74.A O no hydrogen 3.207 N/A ILE 78.A N ILE 75.A O no hydrogen 3.331 N/A ALA 79.A N ILE 75.A O no hydrogen 2.727 N/A VAL 83.A N ALA 79.A O no hydrogen 2.940 N/A GLN 84.A N LYS 80.A O no hydrogen 2.989 N/A GLU 85.A N ASP 81.A O no hydrogen 2.966 N/A ILE 86.A N ILE 82.A O no hydrogen 3.031 N/A ALA 87.A N VAL 83.A O no hydrogen 2.800 N/A LYS 88.A N GLN 84.A O no hydrogen 3.066 N/A LYS 88.A NZ ILE 86.A O no hydrogen 2.517 N/A ILE 90.A N ALA 87.A O no hydrogen 3.043 N/A ILE 93.A N ILE 68.A O no hydrogen 2.918 N/A VAL 95.A N ILE 70.A O no hydrogen 3.253 N/A THR 97.A N ASP 94.A OD2 no hydrogen 2.981 N/A THR 97.A OG1 ASP 94.A OD1 no hydrogen 2.592 N/A THR 97.A OG1 ASP 94.A OD2 no hydrogen 3.368 N/A ALA 98.A N ASP 94.A O no hydrogen 3.284 N/A GLY 99.A N VAL 95.A O no hydrogen 2.838 N/A VAL 100.A N ILE 96.A O no hydrogen 2.826 N/A SER 101.A N THR 97.A O no hydrogen 3.073 N/A SER 101.A OG ALA 98.A O no hydrogen 2.673 N/A LEU 102.A N GLY 99.A O no hydrogen 3.134 N/A VAL 103.A N VAL 100.A O no hydrogen 3.143 N/A LEU 106.A N VAL 103.A O no hydrogen 2.981 N/A ASN 107.A N GLN 174.A OE1 no hydrogen 2.631 N/A ASN 107.A ND2 THR 108.A OG1 no hydrogen 3.186 N/A THR 108.A N GLN 174.A OE1 no hydrogen 2.886 N/A VAL 109.A N GLU 135.A O no hydrogen 2.841 N/A GLY 110.A N ALA 175.A O no hydrogen 2.909 N/A VAL 111.A N TYR 137.A O no hydrogen 2.891 N/A ILE 112.A N ILE 177.A O no hydrogen 3.089 N/A THR 114.A OG1 THR 74.A OG1 no hydrogen 2.814 N/A THR 114.A OG1 THR 117.A OG1 no hydrogen 3.018 N/A ALA 116.A N GLY 42.A O no hydrogen 2.910 N/A THR 117.A N THR 114.A OG1 no hydrogen 3.147 N/A THR 117.A OG1 THR 74.A OG1 no hydrogen 3.210 N/A THR 117.A OG1 THR 114.A OG1 no hydrogen 3.018 N/A ILE 118.A N THR 114.A O no hydrogen 2.953 N/A ASN 119.A N PRO 115.A O no hydrogen 2.802 N/A SER 120.A N ALA 116.A O no hydrogen 3.042 N/A SER 120.A OG THR 117.A O no hydrogen 2.689 N/A ASN 121.A N ILE 118.A O no hydrogen 2.973 N/A ALA 122.A N SER 120.A OG no hydrogen 3.098 N/A TYR 123.A OH ASN 73.A OD1 no hydrogen 2.656 N/A LEU 125.A N ASN 121.A O no hydrogen 2.953 N/A GLN 126.A N ALA 122.A O no hydrogen 2.875 N/A ILE 127.A N TYR 123.A O no hydrogen 2.895 N/A HIS 128.A N ALA 124.A O no hydrogen 2.810 N/A HIS 128.A NE2 ILE 134.A O no hydrogen 2.732 N/A LYS 129.A N LEU 125.A O no hydrogen 3.038 N/A ASN 131.A N ILE 127.A O no hydrogen 3.022 N/A ASN 133.A N ASN 131.A OD1 no hydrogen 2.889 N/A ILE 134.A N ASN 131.A O no hydrogen 3.190 N/A GLU 135.A N ASN 107.A O no hydrogen 2.815 N/A TYR 137.A N VAL 109.A O no hydrogen 2.957 N/A TYR 137.A OH GLU 135.A OE1 no hydrogen 2.988 N/A ASN 139.A N VAL 111.A O no hydrogen 3.114 N/A ASN 139.A ND2 TYR 164.A O no hydrogen 2.732 N/A CYS 141.A N ALA 113.A O no hydrogen 3.044 N/A CYS 141.A SG ASN 139.A O no hydrogen 3.952 N/A LEU 143.A N TYR 164.A OH no hydrogen 2.925 N/A PHE 144.A N CYS 141.A O no hydrogen 3.017 N/A SER 146.A OG.B LEU 143.A O no hydrogen 3.242 N/A GLU 148.A N VAL 145.A O no hydrogen 2.960 N/A GLU 149.A N SER 146.A O.A no hydrogen 2.878 N/A GLU 149.A N SER 146.A O.B no hydrogen 2.949 N/A GLY 150.A N ILE 147.A O no hydrogen 2.995 N/A GLU 158.A N GLY 154.A O no hydrogen 3.023 N/A LEU 159.A N HIS 155.A O no hydrogen 2.994 N/A VAL 160.A N ILE 156.A O no hydrogen 3.008 N/A ALA 161.A N VAL 157.A O no hydrogen 2.916 N/A LYS 162.A N GLU 158.A O no hydrogen 2.849 N/A GLU 163.A N LEU 159.A O no hydrogen 3.175 N/A TYR 164.A N VAL 160.A O no hydrogen 3.276 N/A TYR 164.A N ALA 161.A O no hydrogen 3.169 N/A LEU 165.A N ALA 161.A O no hydrogen 2.836 N/A SER 166.A N.A LYS 162.A O no hydrogen 3.139 N/A SER 166.A N.B LYS 162.A O no hydrogen 3.142 N/A SER 166.A OG.A LYS 162.A O no hydrogen 3.349 N/A SER 166.A OG.B LYS 162.A O no hydrogen 2.661 N/A PHE 168.A N LEU 165.A O no hydrogen 2.860 N/A HIS 169.A N SER 166.A O.A no hydrogen 3.060 N/A HIS 169.A N SER 166.A O.B no hydrogen 3.121 N/A LYS 171.A N PHE 168.A O no hydrogen 3.117 N/A LYS 171.A NZ TYR 167.A O no hydrogen 2.785 N/A LYS 171.A NZ ASP 170.A OD1 no hydrogen 2.736 N/A GLN 174.A N THR 108.A O no hydrogen 2.851 N/A LEU 176.A N LYS 197.A O no hydrogen 2.810 N/A ILE 177.A N GLY 110.A O no hydrogen 2.873 N/A LEU 178.A N ILE 199.A O no hydrogen 2.812 N/A GLY 179.A N ILE 112.A O no hydrogen 2.848 N/A THR 181.A OG1 HIS 182.A ND1 no hydrogen 2.908 N/A HIS 182.A ND1 THR 181.A OG1 no hydrogen 2.908 N/A HIS 182.A NE2 GLU 148.A OE2 no hydrogen 2.712 N/A TYR 183.A N CYS 180.A O no hydrogen 3.094 N/A ILE 185.A N HIS 182.A O no hydrogen 3.224 N/A ILE 186.A N TYR 183.A O no hydrogen 2.989 N/A LYS 187.A N PRO 184.A O no hydrogen 3.164 N/A ILE 190.A N ILE 186.A O no hydrogen 3.086 N/A ALA 191.A N LYS 187.A O no hydrogen 2.823 N/A LYS 192.A N GLU 188.A O no hydrogen 3.237 N/A LYS 192.A NZ GLU 158.A OE2 no hydrogen 3.473 N/A LYS 192.A NZ GLU 188.A OE2 no hydrogen 2.577 N/A ILE 193.A N ILE 190.A O no hydrogen 3.054 N/A LEU 194.A N ILE 190.A O no hydrogen 2.946 N/A VAL 196.A N LEU 194.A O no hydrogen 2.923 N/A ILE 199.A N LEU 176.A O no hydrogen 2.747 N/A SER 202.A N.A ASP 200.A OD1 no hydrogen 3.086 N/A SER 202.A N.B ASP 200.A OD1 no hydrogen 3.110 N/A SER 202.A OG.A ASN 21.A OD1 no hydrogen 2.636 N/A GLN 204.A NE2 SER 101.A OG no hydrogen 2.996 N/A ALA 205.A N PRO 201.A O no hydrogen 2.923 N/A SER 206.A N SER 202.A O.A no hydrogen 3.106 N/A SER 206.A N SER 202.A O.B no hydrogen 3.135 N/A SER 206.A OG ASN 21.A OD1 no hydrogen 3.445 N/A SER 206.A OG SER 202.A O.A no hydrogen 3.231 N/A SER 206.A OG SER 202.A O.B no hydrogen 3.092 N/A LYS 207.A N LEU 203.A O no hydrogen 2.767 N/A TYR 209.A N SER 206.A O no hydrogen 2.998 N/A SER 210.A N LYS 207.A O no hydrogen 2.939 N/A SER 210.A OG LYS 207.A O no hydrogen 3.299 N/A LEU 212.A N LEU 208.A O no hydrogen 2.900 N/A PHE 213.A N TYR 209.A O no hydrogen 2.818 N/A GLU 214.A N SER 210.A O no hydrogen 2.839 N/A ASN 215.A N LEU 211.A O no hydrogen 2.966 N/A LYS 216.A N PHE 213.A O no hydrogen 3.190 N/A LYS 216.A NZ GLU 214.A O no hydrogen 3.340 N/A LEU 217.A N LEU 212.A O no hydrogen 2.786 N/A ASN 219.A N GLU 28.A OE2 no hydrogen 2.777 N/A THR 221.A N ASN 219.A OD1 no hydrogen 3.089 N/A THR 221.A OG1 ASN 219.A OD1 no hydrogen 2.781 N/A LYS 222.A NZ THR 220.A O no hydrogen 3.120 N/A GLU 225.A N ASP 29.A OD1 no hydrogen 2.741 N/A TYR 226.A N GLN 248.A OE1 no hydrogen 2.959 N/A ARG 227.A N ILE 30.A O no hydrogen 2.984 N/A ARG 227.A NE GLU 225.A OE2 no hydrogen 2.631 N/A ARG 227.A NH1 GLU 225.A OE2 no hydrogen 2.867 N/A ARG 227.A NH2 TYR 229.A OH no hydrogen 3.491 N/A PHE 228.A N HIS 249.A O no hydrogen 2.898 N/A TYR 229.A N TYR 32.A O no hydrogen 2.854 N/A VAL 230.A N GLU 251.A O no hydrogen 3.049 N/A THR 231.A N GLY 34.A O no hydrogen 3.196 N/A THR 231.A OG1 ASP 35.A OD1 no hydrogen 2.688 N/A PHE 237.A N PRO 234.A O no hydrogen 2.921 N/A ARG 238.A NE GLU 242.A OE2 no hydrogen 3.008 N/A ARG 238.A NH1 GLU 242.A OE2 no hydrogen 2.947 N/A SER 239.A OG.B LYS 236.A O no hydrogen 3.026 N/A VAL 240.A N LYS 236.A O no hydrogen 3.170 N/A GLY 241.A N PHE 237.A O no hydrogen 2.802 N/A GLU 242.A N ARG 238.A O no hydrogen 2.843 N/A LEU 244.A N GLY 241.A O no hydrogen 2.881 N/A GLN 245.A N GLU 242.A O no hydrogen 2.830 N/A GLU 251.A N PHE 228.A O no hydrogen 2.970 N/A VAL 253.A N VAL 230.A O no hydrogen 2.942 N/A ASP 256.A N SER 254.A OG no hydrogen 3.044 N/A TYR 258.A N LEU 255.A O no hydrogen 2.927 N/A TYR 258.A OH ASP 62.A OD2 no hydrogen 2.883 N/A