Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p1b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ALA 1.A O no hydrogen 2.860 N/A ILE 6.A N MET 2.A O no hydrogen 2.705 N/A TYR 7.A N ASP 3.A O no hydrogen 2.838 N/A SER 8.A N ASN 4.A O no hydrogen 3.143 N/A SER 8.A OG TYR 5.A O no hydrogen 2.807 N/A ILE 9.A N TYR 5.A O no hydrogen 3.214 N/A ALA 10.A N ILE 6.A O no hydrogen 2.837 N/A HIS 11.A N TYR 7.A O no hydrogen 2.838 N/A HIS 11.A ND1 GLU 59.A OE1 no hydrogen 2.812 N/A GLN 12.A N SER 8.A O no hydrogen 2.995 N/A LEU 13.A N ILE 9.A O no hydrogen 2.936 N/A TYR 14.A N ALA 10.A O no hydrogen 2.655 N/A GLU 15.A N HIS 11.A O no hydrogen 3.065 N/A MET 16.A N GLN 12.A O no hydrogen 3.003 N/A TYR 17.A N LEU 13.A O no hydrogen 3.144 N/A TYR 17.A OH ASP 49.A OD1 no hydrogen 2.602 N/A LEU 18.A N TYR 14.A O no hydrogen 3.212 N/A GLN 19.A N GLU 15.A O no hydrogen 3.123 N/A ASP 20.A N TYR 17.A O no hydrogen 2.813 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.365 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.564 N/A PHE 24.A N GLU 21.A O no hydrogen 3.032 N/A HIS 25.A N ASP 22.A O no hydrogen 3.052 N/A HIS 25.A ND1 ASP 49.A OD2 no hydrogen 3.249 N/A SER 26.A N ASP 49.A OD2 no hydrogen 3.032 N/A SER 26.A OG TYR 30.A OH no hydrogen 3.133 N/A ARG 28.A N SER 26.A OG no hydrogen 3.086 N/A TYR 30.A OH SER 26.A OG no hydrogen 3.133 N/A VAL 35.A N GLN 40.A OE1 no hydrogen 3.166 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.745 N/A GLN 40.A N PHE 36.A O no hydrogen 3.012 N/A LYS 41.A N THR 37.A O no hydrogen 3.085 N/A LYS 41.A N GLU 38.A O no hydrogen 3.360 N/A LYS 41.A NZ GLU 65.A OE1 no hydrogen 2.931 N/A LEU 42.A N GLU 38.A O no hydrogen 2.892 N/A ARG 43.A N LEU 39.A O no hydrogen 2.846 N/A ARG 43.A NE GLN 132.A OE1 no hydrogen 3.253 N/A ARG 43.A NH1 LYS 33.A O no hydrogen 3.520 N/A ARG 43.A NH2 GLN 132.A OE1 no hydrogen 3.199 N/A ILE 45.A N LYS 41.A O no hydrogen 3.251 N/A PHE 46.A N LEU 42.A O no hydrogen 2.923 N/A PHE 47.A N ARG 43.A O no hydrogen 2.899 N/A PHE 50.A N PHE 47.A O no hydrogen 3.085 N/A PHE 51.A N PRO 48.A O no hydrogen 3.343 N/A HIS 54.A N ASP 29.A OD1 no hydrogen 3.080 N/A LYS 56.A N LYS 53.A O no hydrogen 2.893 N/A ILE 57.A N HIS 54.A O no hydrogen 3.229 N/A HIS 61.A N THR 58.A O no hydrogen 2.820 N/A ILE 62.A N THR 58.A O no hydrogen 3.143 N/A ALA 63.A N GLU 59.A O no hydrogen 3.141 N/A SER 64.A N SER 60.A O no hydrogen 3.209 N/A GLU 65.A N HIS 61.A O no hydrogen 3.144 N/A LEU 66.A N ILE 62.A O no hydrogen 2.994 N/A THR 67.A N ALA 63.A O no hydrogen 2.786 N/A THR 67.A OG1 ALA 63.A O no hydrogen 3.049 N/A LYS 68.A N SER 64.A O no hydrogen 2.964 N/A LEU 69.A N GLU 65.A O no hydrogen 2.962 N/A VAL 70.A N LEU 66.A O no hydrogen 2.817 N/A ASP 71.A N THR 67.A O no hydrogen 2.972 N/A TYR 72.A N LYS 68.A O no hydrogen 3.089 N/A ILE 73.A N LEU 69.A O no hydrogen 3.038 N/A LYS 74.A N VAL 70.A O no hydrogen 2.735 N/A ASP 75.A N ASP 71.A O no hydrogen 2.632 N/A SER 76.A N TYR 72.A O no hydrogen 2.917 N/A SER 76.A OG TYR 72.A O no hydrogen 3.054 N/A VAL 77.A N ILE 73.A O no hydrogen 2.747 N/A THR 78.A N LYS 74.A O no hydrogen 2.917 N/A THR 78.A OG1 LYS 74.A O no hydrogen 2.809 N/A ALA 79.A N ASP 75.A O no hydrogen 3.169 N/A TYR 80.A OH GLU 154.A OE2 no hydrogen 2.609 N/A ASN 81.A N THR 78.A O no hydrogen 2.947 N/A PHE 85.A N ASP 82.A OD2 no hydrogen 2.974 N/A ALA 86.A N ASP 82.A O no hydrogen 3.091 N/A HIS 87.A N GLU 83.A O no hydrogen 2.875 N/A GLN 88.A N LEU 84.A O no hydrogen 3.135 N/A CYS 89.A N PHE 85.A O no hydrogen 2.918 N/A CYS 89.A SG PHE 85.A O no hydrogen 3.312 N/A VAL 90.A N ALA 86.A O no hydrogen 2.971 N/A MET 91.A N HIS 87.A O no hydrogen 3.133 N/A ALA 92.A N GLN 88.A O no hydrogen 3.079 N/A ILE 93.A N CYS 89.A O no hydrogen 2.989 N/A LEU 94.A N VAL 90.A O no hydrogen 2.801 N/A GLU 95.A N MET 91.A O no hydrogen 2.986 N/A LYS 96.A N ALA 92.A O no hydrogen 3.072 N/A LYS 96.A N ILE 93.A O no hydrogen 3.006 N/A LEU 97.A N LEU 94.A O no hydrogen 3.210 N/A ILE 100.A N LYS 96.A O no hydrogen 3.123 N/A LYS 101.A N LEU 97.A O no hydrogen 2.954 N/A LYS 101.A NZ ASP 20.A OD2 no hydrogen 2.706 N/A LYS 101.A NZ PHE 46.A O no hydrogen 3.525 N/A ARG 102.A N PRO 98.A O no hydrogen 3.098 N/A THR 103.A N SER 99.A O no hydrogen 2.928 N/A THR 103.A OG1 SER 99.A O no hydrogen 2.821 N/A LEU 104.A N ILE 100.A O no hydrogen 2.820 N/A LYS 105.A N LYS 101.A O no hydrogen 3.140 N/A LYS 105.A NZ ASP 20.A OD1 no hydrogen 2.945 N/A LYS 105.A NZ GLU 21.A OE1 no hydrogen 2.878 N/A THR 106.A N ARG 102.A O no hydrogen 3.221 N/A THR 106.A OG1 THR 103.A O no hydrogen 2.463 N/A ASP 107.A N THR 103.A O no hydrogen 2.941 N/A LEU 108.A N LEU 104.A O no hydrogen 3.097 N/A ILE 109.A N LYS 105.A O no hydrogen 3.065 N/A ALA 110.A N THR 106.A O no hydrogen 2.965 N/A ALA 111.A N ASP 107.A O no hydrogen 2.840 N/A TYR 112.A N LEU 108.A O no hydrogen 3.029 N/A ALA 113.A N ILE 109.A O no hydrogen 3.002 N/A GLY 114.A N ALA 110.A O no hydrogen 2.852 N/A ASP 115.A N TYR 112.A O no hydrogen 3.431 N/A ALA 117.A N ASP 115.A OD1 no hydrogen 2.843 N/A ALA 118.A N ASP 115.A O no hydrogen 2.854 N/A ILE 125.A N LEU 121.A O no hydrogen 2.905 N/A ARG 126.A N SER 122.A O no hydrogen 2.991 N/A ARG 126.A NH1 PRO 31.A O no hydrogen 3.259 N/A ARG 126.A NH1 PHE 50.A O no hydrogen 2.844 N/A ARG 126.A NH2 PRO 31.A O no hydrogen 2.873 N/A CYS 127.A N LEU 123.A O no hydrogen 2.916 N/A CYS 127.A SG LEU 123.A O no hydrogen 3.285 N/A TYR 128.A N ILE 124.A O no hydrogen 3.060 N/A TYR 128.A OH ASP 115.A OD2 no hydrogen 2.668 N/A PHE 131.A N TYR 128.A O no hydrogen 3.038 N/A GLN 132.A N TYR 128.A O no hydrogen 3.127 N/A GLN 132.A NE2 ILE 125.A O no hydrogen 2.984 N/A GLN 132.A NE2 TYR 128.A O no hydrogen 3.129 N/A ALA 133.A N PRO 129.A O no hydrogen 2.895 N/A VAL 134.A N GLY 130.A O no hydrogen 3.161 N/A VAL 134.A N PHE 131.A O no hydrogen 3.256 N/A ILE 135.A N PHE 131.A O no hydrogen 2.969 N/A VAL 136.A N GLN 132.A O no hydrogen 3.311 N/A TYR 137.A N ALA 133.A O no hydrogen 2.915 N/A TYR 137.A OH ALA 171.A O no hydrogen 2.630 N/A ARG 138.A N VAL 134.A O no hydrogen 2.904 N/A ARG 138.A NE ASP 107.A OD2 no hydrogen 2.991 N/A ARG 138.A NH1 ILE 173.A O no hydrogen 2.835 N/A ARG 138.A NH2 ASP 107.A OD1 no hydrogen 2.937 N/A ARG 138.A NH2 ASP 107.A OD2 no hydrogen 3.096 N/A ARG 138.A NH2 LYS 174.A O no hydrogen 3.005 N/A ALA 140.A N VAL 136.A O no hydrogen 2.888 N/A HIS 141.A N TYR 137.A O no hydrogen 2.766 N/A HIS 141.A ND1 PRO 169.A O no hydrogen 2.720 N/A VAL 142.A N ILE 139.A O no hydrogen 3.027 N/A LEU 143.A N ILE 139.A O no hydrogen 3.367 N/A TYR 144.A N ALA 140.A O no hydrogen 2.895 N/A TYR 144.A OH GLU 189.A OE1 no hydrogen 2.568 N/A GLU 145.A N HIS 141.A O no hydrogen 2.853 N/A CYS 146.A N VAL 142.A O no hydrogen 2.971 N/A CYS 146.A N LEU 143.A O no hydrogen 3.074 N/A CYS 146.A SG VAL 142.A O no hydrogen 3.442 N/A GLY 147.A N TYR 144.A O no hydrogen 2.889 N/A GLU 148.A N LEU 143.A O no hydrogen 3.203 N/A ARG 149.A NH1 TYR 144.A O no hydrogen 2.951 N/A ARG 149.A NH1 GLU 148.A O no hydrogen 2.749 N/A TYR 150.A N GLU 148.A OE2 no hydrogen 3.161 N/A TYR 151.A N GLU 148.A OE2 no hydrogen 2.770 N/A TYR 151.A OH GLU 38.A OE2 no hydrogen 2.554 N/A CYS 152.A N GLU 148.A OE1 no hydrogen 2.938 N/A CYS 152.A SG GLU 148.A O no hydrogen 3.480 N/A CYS 152.A SG GLU 148.A OE1 no hydrogen 3.457 N/A ARG 153.A NE GLU 157.A OE2 no hydrogen 3.274 N/A ARG 153.A NH2 GLU 157.A OE2 no hydrogen 3.234 N/A GLU 154.A N TYR 150.A O no hydrogen 3.111 N/A MET 155.A N TYR 151.A O no hydrogen 2.894 N/A MET 156.A N CYS 152.A O no hydrogen 3.508 N/A GLU 157.A N ARG 153.A O no hydrogen 2.985 N/A SER 158.A N GLU 154.A O no hydrogen 3.086 N/A VAL 159.A N MET 155.A O no hydrogen 3.214 N/A HIS 160.A N MET 156.A O no hydrogen 2.748 N/A SER 161.A N GLU 157.A O no hydrogen 3.141 N/A TYR 162.A N SER 158.A O no hydrogen 2.956 N/A THR 163.A N VAL 159.A O no hydrogen 2.815 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.478 N/A SER 164.A N HIS 160.A O no hydrogen 2.632 N/A ILE 165.A N THR 163.A OG1 no hydrogen 3.232 N/A ASP 166.A N VAL 185.A O no hydrogen 2.682 N/A HIS 168.A N ILE 187.A O no hydrogen 2.945 N/A ALA 171.A N HIS 168.A O no hydrogen 3.095 N/A SER 172.A N ALA 191.A O no hydrogen 2.810 N/A ILE 173.A N TYR 137.A OH no hydrogen 2.984 N/A LYS 174.A N ILE 193.A O no hydrogen 3.077 N/A HIS 176.A N THR 106.A OG1 no hydrogen 3.008 N/A PHE 177.A N ASP 107.A OD1 no hydrogen 3.062 N/A PHE 178.A N CYS 197.A O no hydrogen 2.968 N/A ASP 180.A N ILE 199.A O no hydrogen 2.736 N/A HIS 181.A ND1 GLN 201.A OE1 no hydrogen 3.160 N/A GLY 184.A N SER 164.A O no hydrogen 2.888 N/A VAL 185.A N GLY 182.A O no hydrogen 2.981 N/A VAL 186.A N VAL 203.A O no hydrogen 3.011 N/A ILE 187.A N ASP 166.A O no hydrogen 2.654 N/A GLY 188.A N LEU 205.A O no hydrogen 2.829 N/A ALA 191.A N GLY 188.A O no hydrogen 2.921 N/A ILE 192.A N PRO 222.A O no hydrogen 2.985 N/A ILE 193.A N SER 172.A O no hydrogen 2.730 N/A GLY 194.A N VAL 224.A O no hydrogen 2.925 N/A GLU 195.A N ASP 226.A OD1 no hydrogen 2.576 N/A TRP 196.A N GLY 175.A O no hydrogen 3.123 N/A CYS 197.A SG VAL 228.A O no hydrogen 3.891 N/A ARG 198.A N VAL 228.A O no hydrogen 3.147 N/A ILE 199.A N PHE 178.A O no hydrogen 2.751 N/A TYR 200.A N ILE 230.A O no hydrogen 3.217 N/A GLN 201.A N GLN 201.A OE1 no hydrogen 2.657 N/A SER 202.A N VAL 183.A O no hydrogen 3.039 N/A THR 204.A N ALA 234.A O no hydrogen 3.107 N/A LEU 205.A N VAL 186.A O no hydrogen 2.907 N/A GLY 206.A N VAL 236.A O no hydrogen 3.315 N/A THR 218.A OG1 GLY 217.A O no hydrogen 2.900 N/A LYS 219.A NZ THR 190.A O no hydrogen 3.067 N/A LYS 219.A NZ HIS 221.A O no hydrogen 2.816 N/A LYS 219.A NZ THR 223.A OG1 no hydrogen 2.774 N/A ARG 220.A N THR 190.A OG1 no hydrogen 2.771 N/A ARG 220.A NH1 THR 218.A O no hydrogen 2.981 N/A ARG 220.A NH2 GLU 189.A OE2 no hydrogen 2.989 N/A HIS 221.A N THR 190.A OG1 no hydrogen 3.025 N/A THR 223.A N ILE 240.A O no hydrogen 3.232 N/A VAL 224.A N ILE 192.A O no hydrogen 2.751 N/A GLY 225.A N VAL 242.A O no hydrogen 2.891 N/A ASP 226.A N SER 244.A OG no hydrogen 3.077 N/A TYR 227.A N GLU 195.A O no hydrogen 2.941 N/A THR 229.A N VAL 246.A O no hydrogen 2.932 N/A ILE 230.A N ARG 198.A O no hydrogen 3.196 N/A GLY 231.A N ILE 248.A O no hydrogen 2.920 N/A GLY 233.A N GLN 201.A O no hydrogen 3.091 N/A ALA 234.A N GLY 231.A O no hydrogen 3.147 N/A LYS 235.A N CYS 252.A O no hydrogen 2.754 N/A LYS 235.A NZ SER 202.A O no hydrogen 2.931 N/A LYS 235.A NZ GLY 233.A O no hydrogen 2.729 N/A VAL 236.A N THR 204.A O no hydrogen 2.778 N/A LEU 237.A N ILE 254.A O no hydrogen 2.753 N/A GLY 238.A N GLY 206.A O no hydrogen 3.255 N/A ILE 240.A N GLY 238.A O no hydrogen 2.990 N/A ILE 241.A N ASP 257.A OD1 no hydrogen 2.552 N/A VAL 242.A N THR 223.A O no hydrogen 2.972 N/A GLY 243.A N VAL 258.A O no hydrogen 2.704 N/A SER 244.A N SER 260.A OG no hydrogen 2.810 N/A HIS 245.A N ASP 226.A O no hydrogen 3.021 N/A ARG 247.A N GLN 262.A O no hydrogen 3.095 N/A ILE 248.A N THR 229.A O no hydrogen 2.692 N/A GLY 249.A N VAL 264.A O no hydrogen 2.702 N/A ASN 251.A N THR 232.A O no hydrogen 2.799 N/A ILE 254.A N LYS 235.A O no hydrogen 2.796 N/A VAL 258.A N ILE 241.A O no hydrogen 2.765 N/A SER 260.A OG SER 244.A O no hydrogen 3.444 N/A ASN 261.A N SER 244.A O no hydrogen 2.832 N/A VAL 264.A N ARG 247.A O no hydrogen 2.895 N/A