Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ocd_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N GLN 5.A OE1 no hydrogen 3.010 N/A TYR 6.A OH ILE 53.A O no hydrogen 2.605 N/A ILE 9.A N LEU 59.A O no hydrogen 2.824 N/A PHE 11.A N GLU 61.A O no hydrogen 2.984 N/A THR 12.A OG1 SER 63.A O no hydrogen 3.531 N/A THR 13.A N SER 63.A O no hydrogen 2.971 N/A THR 13.A OG1 SER 63.A O no hydrogen 3.401 N/A THR 13.A OG1 GLU 145.A OE1 no hydrogen 2.725 N/A ALA 14.A N THR 12.A OG1 no hydrogen 3.092 N/A ALA 16.A N THR 13.A O no hydrogen 3.397 N/A THR 17.A N SER 20.A OG no hydrogen 2.924 N/A SER 20.A N THR 17.A OG1 no hydrogen 3.130 N/A SER 20.A OG THR 17.A O no hydrogen 3.127 N/A TYR 21.A N THR 17.A O no hydrogen 2.940 N/A TYR 21.A OH MET 174.A O no hydrogen 2.779 N/A THR 22.A N VAL 18.A O no hydrogen 2.963 N/A THR 22.A OG1 VAL 18.A O no hydrogen 2.676 N/A ASN 23.A N GLN 19.A O no hydrogen 2.945 N/A PHE 24.A N SER 20.A O no hydrogen 3.052 N/A ILE 25.A N TYR 21.A O no hydrogen 2.950 N/A ARG 26.A N THR 22.A O no hydrogen 2.894 N/A ALA 27.A N ASN 23.A O no hydrogen 3.011 N/A VAL 28.A N PHE 24.A O no hydrogen 2.951 N/A ARG 29.A N ILE 25.A O no hydrogen 3.014 N/A ARG 29.A NE ALA 179.A O no hydrogen 2.910 N/A ARG 29.A NH1 GLU 185.A OE1 no hydrogen 3.026 N/A ARG 29.A NH2 ALA 178.A O no hydrogen 2.747 N/A ARG 29.A NH2 GLU 185.A OE1 no hydrogen 2.807 N/A GLY 30.A N ARG 26.A O no hydrogen 3.015 N/A ARG 31.A N ALA 27.A O no hydrogen 3.127 N/A ARG 31.A N VAL 28.A O no hydrogen 3.229 N/A LEU 32.A N VAL 28.A O no hydrogen 2.908 N/A THR 33.A N ARG 29.A O no hydrogen 3.134 N/A THR 33.A OG1 VAL 44.A O no hydrogen 2.925 N/A ALA 36.A N THR 34.A OG1 no hydrogen 3.315 N/A ARG 39.A N ILE 42.A O no hydrogen 3.094 N/A ARG 39.A NE ASP 37.A OD1 no hydrogen 2.816 N/A ARG 39.A NH1 CYS 259.A O no hydrogen 2.798 N/A ARG 39.A NH2 ASP 37.A OD2 no hydrogen 2.989 N/A ARG 39.A NH2 CYS 259.A O no hydrogen 2.849 N/A HIS 40.A NE2 SER 221.A O no hydrogen 3.025 N/A ILE 42.A N ARG 39.A O no hydrogen 2.935 N/A VAL 44.A N ASP 37.A O no hydrogen 2.808 N/A LEU 45.A N MET 255.A O no hydrogen 2.744 N/A ARG 48.A NH1 ASP 100.A OD1 no hydrogen 2.971 N/A ARG 48.A NH2 ASP 100.A OD1 no hydrogen 2.628 N/A VAL 49.A N ASN 47.A OD1 no hydrogen 3.082 N/A LEU 51.A N ARG 48.A O no hydrogen 3.400 N/A GLN 55.A N PRO 52.A O no hydrogen 3.158 N/A GLN 55.A NE2 ASN 54.A OD1 no hydrogen 3.580 N/A ARG 56.A N ILE 53.A O no hydrogen 3.434 N/A ARG 56.A NE ASP 75.A OD1 no hydrogen 2.904 N/A ARG 56.A NE ASP 75.A OD2 no hydrogen 3.334 N/A ARG 56.A NH2 ASP 75.A OD2 no hydrogen 3.040 N/A ARG 56.A NH2 ASP 100.A OD1 no hydrogen 3.108 N/A ILE 58.A N LEU 74.A O no hydrogen 2.864 N/A LEU 59.A N PRO 7.A O no hydrogen 2.821 N/A VAL 60.A N LEU 72.A O no hydrogen 2.782 N/A GLU 61.A N ILE 9.A O no hydrogen 2.811 N/A LEU 62.A N VAL 70.A O no hydrogen 2.783 N/A SER 63.A N PHE 11.A O no hydrogen 2.870 N/A SER 63.A OG SER 69.A OG no hydrogen 2.753 N/A ASN 64.A N LEU 68.A O no hydrogen 3.247 N/A ASN 64.A ND2 GLU 145.A O no hydrogen 3.189 N/A ASN 64.A ND2 SER 149.A OG no hydrogen 2.931 N/A HIS 65.A N GLU 145.A OE1 no hydrogen 3.067 N/A HIS 65.A N GLU 145.A OE2 no hydrogen 2.984 N/A HIS 65.A ND1 GLU 145.A OE1 no hydrogen 2.773 N/A ALA 66.A N ASN 64.A OD1 no hydrogen 3.037 N/A GLU 67.A N ASN 64.A O no hydrogen 2.871 N/A LEU 68.A N ASN 64.A OD1 no hydrogen 3.129 N/A SER 69.A OG SER 63.A OG no hydrogen 2.753 N/A VAL 70.A N LEU 62.A O no hydrogen 3.024 N/A THR 71.A N ARG 85.A O no hydrogen 2.957 N/A LEU 72.A N VAL 60.A O no hydrogen 2.862 N/A ALA 73.A N GLY 83.A O no hydrogen 2.900 N/A LEU 74.A N ILE 58.A O no hydrogen 2.791 N/A ASP 75.A N TYR 80.A O no hydrogen 2.982 N/A VAL 76.A N ARG 56.A O no hydrogen 3.029 N/A THR 77.A N ASP 75.A OD1 no hydrogen 3.015 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 2.847 N/A ASN 78.A N ASP 75.A O no hydrogen 3.365 N/A ALA 79.A N ASP 75.A O no hydrogen 2.664 N/A TYR 80.A N ASN 78.A OD1 no hydrogen 2.910 N/A VAL 82.A N ALA 73.A O no hydrogen 2.980 N/A TYR 84.A N TYR 91.A O no hydrogen 2.843 N/A TYR 84.A OH LEU 151.A O no hydrogen 2.687 N/A ARG 85.A N THR 71.A O no hydrogen 2.792 N/A ARG 85.A NH1 GLY 87.A O no hydrogen 2.968 N/A ALA 86.A N SER 89.A O no hydrogen 2.922 N/A SER 89.A N ALA 86.A O no hydrogen 3.150 N/A ALA 90.A N ASN 113.A O no hydrogen 2.798 N/A TYR 91.A N TYR 84.A O no hydrogen 2.857 N/A PHE 92.A N TYR 115.A O no hydrogen 2.844 N/A PHE 93.A N VAL 82.A O no hydrogen 2.976 N/A HIS 94.A N PHE 119.A O no hydrogen 2.927 N/A HIS 94.A ND1 PRO 95.A O no hydrogen 2.967 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 2.598 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.905 N/A ASP 100.A N ASN 97.A OD1 no hydrogen 2.909 N/A ALA 101.A N ASN 97.A O no hydrogen 2.999 N/A GLU 102.A N GLN 98.A O no hydrogen 3.097 N/A ALA 103.A N GLU 99.A O no hydrogen 2.907 N/A ILE 104.A N ASP 100.A O no hydrogen 3.072 N/A THR 105.A N GLU 102.A O no hydrogen 3.228 N/A THR 105.A OG1 GLU 102.A O no hydrogen 2.715 N/A HIS 106.A N ALA 103.A O no hydrogen 3.044 N/A LEU 107.A N ILE 104.A O no hydrogen 3.112 N/A ASP 110.A N ASP 110.A OD1 no hydrogen 2.540 N/A VAL 111.A N PHE 108.A O no hydrogen 3.278 N/A ASN 113.A N ASN 88.A O no hydrogen 3.290 N/A ARG 114.A NH1 LEU 107.A O no hydrogen 2.883 N/A ARG 114.A NH2 LEU 107.A O no hydrogen 2.932 N/A TYR 115.A N ALA 90.A O no hydrogen 2.844 N/A PHE 117.A N PHE 92.A O no hydrogen 2.890 N/A TYR 123.A OH GLU 177.A OE2 no hydrogen 2.875 N/A ARG 125.A NH1 GLN 128.A OE1 no hydrogen 2.989 N/A LEU 126.A N ASN 122.A O no hydrogen 3.017 N/A GLU 127.A N TYR 123.A O no hydrogen 2.714 N/A GLN 128.A N ASP 124.A O no hydrogen 3.326 N/A LEU 129.A N ARG 125.A O no hydrogen 3.052 N/A ALA 130.A N LEU 126.A O no hydrogen 2.713 N/A GLY 131.A N GLU 127.A O no hydrogen 2.889 N/A ASN 132.A N GLU 127.A O no hydrogen 3.178 N/A ARG 134.A N GLU 127.A OE2 no hydrogen 2.971 N/A ARG 134.A NE GLU 127.A OE2 no hydrogen 2.985 N/A ARG 134.A NH1 GLU 208.A OE1 no hydrogen 3.008 N/A ARG 134.A NH1 ASN 209.A OD1 no hydrogen 2.942 N/A ARG 134.A NH2 ASN 209.A OD1 no hydrogen 2.847 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.654 N/A ASN 136.A N LEU 133.A O no hydrogen 2.844 N/A ILE 137.A N ARG 134.A O no hydrogen 3.037 N/A LEU 139.A N SER 198.A O no hydrogen 2.885 N/A ASN 141.A ND2 THR 13.A O no hydrogen 2.902 N/A LEU 144.A N GLY 140.A O no hydrogen 3.043 N/A GLU 145.A N ASN 141.A O no hydrogen 2.837 N/A GLU 146.A N GLY 142.A O no hydrogen 2.972 N/A ALA 147.A N PRO 143.A O no hydrogen 2.816 N/A ILE 148.A N LEU 144.A O no hydrogen 2.890 N/A SER 149.A N GLU 145.A O no hydrogen 3.348 N/A ALA 150.A N GLU 146.A O no hydrogen 3.053 N/A LEU 151.A N ALA 147.A O no hydrogen 2.989 N/A TYR 152.A N ILE 148.A O no hydrogen 3.021 N/A TYR 153.A N SER 149.A O no hydrogen 2.963 N/A TYR 154.A N LEU 151.A O no hydrogen 3.420 N/A THR 156.A N TYR 153.A O no hydrogen 3.168 N/A THR 156.A OG1 TYR 153.A O no hydrogen 2.979 N/A GLY 157.A N TYR 154.A O no hydrogen 3.128 N/A GLY 158.A N TYR 153.A O no hydrogen 3.185 N/A THR 159.A OG1 ALA 150.A O no hydrogen 2.692 N/A LEU 164.A N GLN 160.A O no hydrogen 2.958 N/A ALA 165.A N LEU 161.A O no hydrogen 2.806 N/A ARG 166.A N.A PRO 162.A O no hydrogen 3.003 N/A ARG 166.A N.B PRO 162.A O no hydrogen 2.998 N/A SER 167.A N THR 163.A O no hydrogen 2.942 N/A SER 167.A OG THR 163.A O no hydrogen 2.716 N/A PHE 168.A N LEU 164.A O no hydrogen 2.967 N/A ILE 169.A N ALA 165.A O no hydrogen 3.098 N/A ILE 170.A N ARG 166.A O.A no hydrogen 3.097 N/A ILE 170.A N ARG 166.A O.B no hydrogen 3.016 N/A CYS 171.A N SER 167.A O no hydrogen 2.982 N/A CYS 171.A SG SER 167.A O no hydrogen 3.485 N/A ILE 172.A N PHE 168.A O no hydrogen 2.869 N/A GLN 173.A N ILE 169.A O no hydrogen 3.378 N/A GLN 173.A NE2 ILE 169.A O no hydrogen 3.251 N/A MET 174.A N ILE 170.A O no hydrogen 3.074 N/A ILE 175.A N CYS 171.A O no hydrogen 2.956 N/A SER 176.A OG ALA 79.A O no hydrogen 2.747 N/A GLU 177.A N ILE 172.A O no hydrogen 3.094 N/A ALA 178.A N GLN 173.A O no hydrogen 3.228 N/A ALA 179.A N ILE 175.A O no hydrogen 2.986 N/A ARG 180.A N SER 176.A O no hydrogen 2.937 N/A ARG 180.A NE ASN 78.A O no hydrogen 3.387 N/A ARG 180.A NH1 GLU 177.A OE1 no hydrogen 2.787 N/A ARG 180.A NH2 ASN 78.A O no hydrogen 2.972 N/A PHE 181.A N GLU 177.A O no hydrogen 2.855 N/A GLN 182.A NE2 ILE 249.A O no hydrogen 3.548 N/A GLN 182.A NE2 ILE 252.A O no hydrogen 3.245 N/A TYR 183.A N ILE 251.A O no hydrogen 3.288 N/A TYR 183.A OH SER 203.A OG no hydrogen 2.625 N/A GLU 185.A N PHE 181.A O no hydrogen 3.060 N/A GLY 186.A N GLN 182.A O no hydrogen 2.864 N/A GLU 187.A N TYR 183.A O no hydrogen 3.156 N/A MET 188.A N ILE 184.A O no hydrogen 3.067 N/A ARG 189.A N GLU 185.A O no hydrogen 2.931 N/A THR 190.A N GLY 186.A O no hydrogen 3.056 N/A THR 190.A OG1 GLY 186.A O no hydrogen 3.078 N/A ARG 191.A N GLU 187.A O no hydrogen 3.205 N/A ARG 191.A NE SER 198.A O no hydrogen 3.032 N/A ARG 191.A NH1 GLU 187.A O no hydrogen 3.072 N/A ARG 191.A NH2 SER 198.A O no hydrogen 3.266 N/A ARG 191.A NH2 ALA 199.A O no hydrogen 3.111 N/A ILE 192.A N MET 188.A O no hydrogen 2.973 N/A ARG 193.A N ARG 189.A O no hydrogen 2.774 N/A TYR 194.A N THR 190.A O no hydrogen 3.227 N/A ASN 195.A N ILE 192.A O no hydrogen 3.070 N/A ARG 196.A N ARG 191.A O no hydrogen 2.784 N/A ARG 197.A NH1 GLU 146.A OE1 no hydrogen 3.520 N/A ARG 197.A NH2 GLU 146.A OE2 no hydrogen 2.659 N/A SER 198.A N LEU 139.A O no hydrogen 3.092 N/A SER 203.A OG TYR 183.A OH no hydrogen 2.625 N/A SER 203.A OG ASP 201.A OD1 no hydrogen 2.389 N/A VAL 204.A N ASP 201.A OD1 no hydrogen 3.300 N/A ILE 205.A N ASP 201.A O no hydrogen 3.142 N/A THR 206.A N PRO 202.A O no hydrogen 2.824 N/A THR 206.A OG1 PRO 202.A O no hydrogen 3.249 N/A LEU 207.A N SER 203.A O no hydrogen 3.375 N/A GLU 208.A N VAL 204.A O no hydrogen 3.085 N/A ASN 209.A N ILE 205.A O no hydrogen 2.997 N/A SER 210.A N.A LEU 207.A O no hydrogen 2.990 N/A SER 210.A N.B LEU 207.A O no hydrogen 3.005 N/A SER 210.A OG.A THR 206.A O no hydrogen 2.789 N/A SER 210.A OG.B THR 206.A O no hydrogen 2.911 N/A SER 210.A OG.B LEU 207.A O no hydrogen 3.215 N/A TRP 211.A NE1 LEU 254.A O no hydrogen 2.838 N/A LEU 214.A N SER 210.A O.A no hydrogen 2.852 N/A LEU 214.A N SER 210.A O.B no hydrogen 2.857 N/A SER 215.A N TRP 211.A O no hydrogen 3.025 N/A SER 215.A OG TRP 211.A O no hydrogen 2.838 N/A THR 216.A N GLY 212.A O no hydrogen 3.046 N/A THR 216.A OG1 GLY 212.A O no hydrogen 3.287 N/A ALA 217.A N ARG 213.A O no hydrogen 2.784 N/A ILE 218.A N LEU 214.A O no hydrogen 2.933 N/A GLN 219.A N SER 215.A O no hydrogen 3.089 N/A GLN 219.A NE2 VAL 256.A O no hydrogen 2.767 N/A GLU 220.A N THR 216.A O no hydrogen 2.918 N/A SER 221.A OG ILE 218.A O no hydrogen 3.386 N/A PHE 226.A N TYR 243.A O no hydrogen 2.891 N/A ILE 230.A N VAL 242.A O no hydrogen 2.930 N/A LEU 232.A N PHE 240.A O no hydrogen 2.974 N/A ARG 234.A N.A SER 238.A O no hydrogen 2.880 N/A ARG 234.A N.B SER 238.A O no hydrogen 2.886 N/A ARG 234.A NH1.A SER 238.A OG no hydrogen 3.087 N/A ARG 235.A NH1 GLU 187.A OE1 no hydrogen 3.030 N/A ARG 235.A NH1 GLU 187.A OE2 no hydrogen 2.733 N/A ARG 235.A NH1 ASP 201.A OD2 no hydrogen 2.995 N/A ARG 235.A NH2 GLU 187.A OE2 no hydrogen 2.426 N/A GLY 237.A N ARG 234.A O.A no hydrogen 2.877 N/A GLY 237.A N ARG 234.A O.B no hydrogen 2.768 N/A SER 238.A N ASN 236.A OD1 no hydrogen 2.908 N/A SER 238.A OG ASN 236.A OD1 no hydrogen 2.748 N/A PHE 240.A N LEU 232.A O no hydrogen 2.872 N/A VAL 242.A N ILE 230.A O no hydrogen 2.717 N/A VAL 245.A N GLY 224.A O no hydrogen 2.968 N/A SER 246.A N ASP 244.A OD1 no hydrogen 3.008 N/A SER 246.A OG ASP 244.A OD1 no hydrogen 3.232 N/A LEU 248.A N VAL 245.A O no hydrogen 3.043 N/A ILE 249.A N VAL 245.A O no hydrogen 3.128 N/A ILE 251.A N LEU 248.A O no hydrogen 2.882 N/A ILE 252.A N LEU 248.A O no hydrogen 2.922 N/A ALA 253.A N ARG 180.A O no hydrogen 2.817 N/A LEU 254.A N ARG 180.A O no hydrogen 3.237 N/A MET 255.A N PRO 43.A O no hydrogen 2.949 N/A VAL 256.A N SER 215.A OG no hydrogen 3.345 N/A ARG 258.A N GLN 219.A OE1 no hydrogen 2.694 N/A ARG 258.A NE THR 216.A OG1 no hydrogen 2.886 N/A ARG 258.A NH2 GLY 212.A O no hydrogen 3.438 N/A CYS 259.A N GLN 219.A OE1 no hydrogen 3.217 N/A CYS 259.A SG GLN 219.A O no hydrogen 3.788 N/A