Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 77.A OE2 no hydrogen 2.878 N/A HIS 3.A N GLU 77.A OE2 no hydrogen 3.153 N/A HIS 3.A ND1 GLU 77.A OE1 no hydrogen 3.193 N/A HIS 3.A NE2 ASP 231.A OD1 no hydrogen 2.743 N/A ILE 5.A N PRO 37.A O no hydrogen 3.090 N/A GLY 6.A N CYS 78.A O no hydrogen 2.695 N/A ILE 7.A N ILE 39.A O no hydrogen 2.812 N/A LEU 8.A N VAL 80.A O no hydrogen 2.715 N/A GLY 9.A N SER 41.A O no hydrogen 2.866 N/A GLY 10.A N THR 16.A OG1 no hydrogen 2.803 N/A GLY 12.A N GLU 195.A OE2 no hydrogen 2.993 N/A THR 16.A N GLY 12.A O no hydrogen 3.279 N/A THR 16.A OG1 GLY 12.A O no hydrogen 3.286 N/A ALA 17.A N PRO 13.A O no hydrogen 2.983 N/A ASP 18.A N ALA 14.A O no hydrogen 2.938 N/A MET 19.A N ALA 15.A O no hydrogen 3.030 N/A LEU 20.A N THR 16.A O no hydrogen 3.137 N/A GLU 21.A N ALA 17.A O no hydrogen 3.112 N/A LYS 22.A N ASP 18.A O no hydrogen 3.089 N/A LYS 22.A NZ ASP 18.A OD2 no hydrogen 2.801 N/A LYS 22.A NZ ASP 213.A OD2 no hydrogen 2.582 N/A PHE 23.A N MET 19.A O no hydrogen 2.983 N/A VAL 24.A N LEU 20.A O no hydrogen 3.184 N/A GLU 25.A N GLU 21.A O no hydrogen 2.915 N/A LEU 26.A N LYS 22.A O no hydrogen 2.724 N/A ARG 27.A NE GLN 34.A O no hydrogen 2.776 N/A ARG 27.A NH1 GLU 227.A OE2 no hydrogen 2.833 N/A ARG 27.A NH2 GLN 34.A O no hydrogen 2.851 N/A SER 30.A N GLN 34.A OE1 no hydrogen 2.590 N/A SER 30.A OG GLN 34.A OE1 no hydrogen 2.712 N/A CYS 31.A SG SER 30.A OG no hydrogen 3.555 N/A CYS 31.A SG GLN 33.A OE1 no hydrogen 3.558 N/A GLN 34.A N CYS 31.A O no hydrogen 3.017 N/A HIS 35.A N ASP 32.A O no hydrogen 3.024 N/A ILE 39.A N ILE 5.A O no hydrogen 2.860 N/A SER 41.A N ILE 7.A O no hydrogen 3.024 N/A ARG 49.A NH1 PRO 47.A O no hydrogen 3.047 N/A ALA 51.A N ASP 48.A OD2 no hydrogen 2.632 N/A CYS 52.A N ASP 48.A O no hydrogen 3.258 N/A CYS 52.A SG GLY 57.A O no hydrogen 3.897 N/A LEU 53.A N ARG 49.A O no hydrogen 2.971 N/A LEU 54.A N THR 50.A O no hydrogen 2.745 N/A GLY 56.A N CYS 52.A O no hydrogen 3.152 N/A GLY 57.A N ALA 51.A O no hydrogen 2.799 N/A TYR 61.A N SER 59.A OG no hydrogen 3.178 N/A LEU 64.A N PRO 60.A O no hydrogen 2.951 N/A GLU 65.A N TYR 61.A O no hydrogen 2.763 N/A ARG 66.A N ARG 62.A O no hydrogen 2.995 N/A TYR 67.A N TYR 63.A O no hydrogen 2.924 N/A TYR 67.A OH ASP 45.A OD1 no hydrogen 2.948 N/A LEU 68.A N LEU 64.A O no hydrogen 2.800 N/A HIS 69.A N GLU 65.A O no hydrogen 3.124 N/A HIS 69.A ND1 GLU 72.A OE1 no hydrogen 3.295 N/A MET 70.A N ARG 66.A O no hydrogen 3.026 N/A LEU 71.A N TYR 67.A O no hydrogen 3.004 N/A GLU 72.A N LEU 68.A O no hydrogen 3.074 N/A ASP 73.A N HIS 69.A O no hydrogen 2.817 N/A ALA 74.A N MET 70.A O no hydrogen 3.092 N/A ALA 74.A N LEU 71.A O no hydrogen 3.112 N/A GLY 75.A N GLU 72.A O no hydrogen 2.880 N/A ALA 76.A N LEU 71.A O no hydrogen 2.967 N/A GLU 77.A N THR 4.A O no hydrogen 2.687 N/A CYS 78.A N THR 4.A O no hydrogen 3.299 N/A CYS 78.A SG ARG 100.A O no hydrogen 3.638 N/A ILE 79.A N ARG 100.A O no hydrogen 2.694 N/A VAL 80.A N GLY 6.A O no hydrogen 2.880 N/A THR 85.A OG1 THR 124.A OG1 no hydrogen 2.792 N/A THR 85.A OG1 THR 127.A OG1 no hydrogen 3.012 N/A HIS 87.A N ASN 84.A O no hydrogen 2.880 N/A HIS 87.A ND1 CYS 83.A O no hydrogen 2.756 N/A TYR 88.A N THR 85.A O no hydrogen 3.332 N/A TRP 89.A N ALA 86.A O no hydrogen 2.990 N/A PHE 90.A N HIS 87.A O no hydrogen 3.050 N/A LEU 93.A N TRP 89.A O no hydrogen 3.078 N/A GLN 94.A N PHE 90.A O no hydrogen 2.765 N/A ASN 95.A N ASP 91.A O no hydrogen 2.941 N/A ASN 95.A N ASP 92.A O no hydrogen 3.129 N/A VAL 96.A N ASP 92.A O no hydrogen 3.283 N/A VAL 96.A N LEU 93.A O no hydrogen 2.890 N/A ALA 97.A N LEU 93.A O no hydrogen 2.862 N/A ALA 99.A N GLU 72.A OE2 no hydrogen 2.806 N/A ARG 100.A N GLU 77.A O no hydrogen 2.939 N/A ARG 100.A NE MET 101.A O no hydrogen 3.215 N/A ILE 102.A N ILE 79.A O no hydrogen 3.441 N/A ILE 104.A N HIS 87.A NE2 no hydrogen 3.080 N/A LEU 105.A N SER 103.A OG no hydrogen 3.138 N/A ALA 107.A N SER 103.A O no hydrogen 3.320 N/A THR 108.A N ILE 104.A O no hydrogen 3.060 N/A THR 108.A OG1 ILE 104.A O no hydrogen 2.672 N/A THR 108.A OG1 SER 214.A O no hydrogen 3.563 N/A LEU 109.A N LEU 105.A O no hydrogen 3.014 N/A GLY 110.A N ASP 106.A O no hydrogen 2.835 N/A ASP 111.A N THR 108.A O no hydrogen 3.066 N/A ILE 112.A N LEU 109.A O no hydrogen 3.211 N/A ALA 116.A N PRO 113.A O no hydrogen 2.832 N/A HIS 118.A N GLN 187.A OE1 no hydrogen 2.618 N/A VAL 119.A N THR 143.A O no hydrogen 2.923 N/A GLY 120.A N ALA 188.A O no hydrogen 2.758 N/A LEU 121.A N ILE 145.A O no hydrogen 2.817 N/A LEU 122.A N ILE 190.A O no hydrogen 3.022 N/A THR 124.A OG1 THR 85.A OG1 no hydrogen 2.792 N/A THR 124.A OG1 THR 127.A OG1 no hydrogen 2.938 N/A THR 127.A N THR 124.A OG1 no hydrogen 3.222 N/A THR 127.A OG1 THR 85.A OG1 no hydrogen 3.012 N/A THR 127.A OG1 THR 124.A OG1 no hydrogen 2.938 N/A LEU 128.A N THR 124.A O no hydrogen 3.011 N/A ALA 129.A N ASN 125.A O no hydrogen 2.698 N/A THR 130.A N ALA 126.A O no hydrogen 2.958 N/A THR 130.A OG1 ALA 126.A O no hydrogen 2.622 N/A GLY 131.A N LEU 128.A O no hydrogen 3.066 N/A LEU 132.A N THR 127.A O no hydrogen 3.383 N/A GLN 134.A N.A GLY 131.A O no hydrogen 3.135 N/A GLN 134.A N.B GLY 131.A O no hydrogen 3.134 N/A LYS 136.A NZ ASP 106.A OD1 no hydrogen 2.950 N/A ALA 137.A N TYR 133.A O no hydrogen 2.854 N/A LEU 138.A N GLN 134.A O.A no hydrogen 2.982 N/A LEU 138.A N GLN 134.A O.B no hydrogen 2.942 N/A ALA 139.A N LYS 135.A O no hydrogen 3.266 N/A ARG 140.A N LYS 136.A O no hydrogen 3.326 N/A ARG 140.A N ALA 137.A O no hydrogen 3.000 N/A GLY 141.A N LEU 138.A O no hydrogen 3.090 N/A LEU 142.A N ALA 137.A O no hydrogen 2.814 N/A THR 143.A N ARG 117.A O no hydrogen 2.809 N/A ILE 145.A N VAL 119.A O no hydrogen 2.799 N/A GLN 152.A N GLU 148.A O no hydrogen 2.811 N/A GLN 152.A NE2 ALA 123.A O no hydrogen 2.962 N/A GLN 152.A NE2 ASN 125.A OD1 no hydrogen 2.759 N/A ALA 153.A N ASP 149.A O no hydrogen 3.068 N/A VAL 155.A N GLY 151.A O no hydrogen 2.993 N/A MET 156.A N GLN 152.A O no hydrogen 2.873 N/A GLN 157.A N ALA 153.A O no hydrogen 2.904 N/A ALA 158.A N LEU 154.A O no hydrogen 2.742 N/A ILE 159.A N VAL 155.A O no hydrogen 2.920 N/A TYR 160.A N MET 156.A O no hydrogen 3.029 N/A TYR 160.A OH ASP 48.A OD1 no hydrogen 2.604 N/A THR 161.A N GLN 157.A O no hydrogen 2.918 N/A THR 161.A OG1 GLN 157.A O no hydrogen 2.663 N/A LEU 162.A N ALA 158.A O no hydrogen 2.999 N/A LYS 163.A N ILE 159.A O no hydrogen 3.078 N/A LYS 163.A NZ GLU 195.A OE1 no hydrogen 3.295 N/A LYS 163.A NZ GLU 195.A OE2 no hydrogen 2.703 N/A ARG 164.A N TYR 160.A O no hydrogen 2.962 N/A GLY 165.A N LEU 162.A O no hydrogen 2.720 N/A ASP 166.A N THR 161.A O no hydrogen 2.977 N/A LYS 167.A NZ LEU 198.A O no hydrogen 3.490 N/A LYS 167.A NZ ALA 201.A O no hydrogen 3.240 N/A ALA 169.A N ASP 166.A OD1 no hydrogen 2.989 N/A ALA 170.A N ASP 166.A O no hydrogen 3.080 N/A GLN 171.A N LYS 167.A O no hydrogen 2.888 N/A GLN 171.A NE2 ILE 199.A O no hydrogen 2.389 N/A GLN 171.A NE2 ALA 201.A O no hydrogen 3.613 N/A ALA 172.A N THR 168.A O no hydrogen 3.207 N/A LEU 173.A N ALA 169.A O no hydrogen 3.321 N/A LEU 173.A N ALA 170.A O no hydrogen 3.138 N/A LEU 174.A N ALA 170.A O no hydrogen 2.886 N/A LEU 175.A N GLN 171.A O no hydrogen 2.816 N/A GLN 177.A N LEU 174.A O no hydrogen 2.844 N/A ILE 178.A N LEU 174.A O no hydrogen 3.109 N/A ASP 179.A N LEU 175.A O no hydrogen 3.107 N/A SER 180.A N PRO 176.A O no hydrogen 2.893 N/A LEU 181.A N GLN 177.A O no hydrogen 3.105 N/A ILE 182.A N ILE 178.A O no hydrogen 3.125 N/A ALA 183.A N ASP 179.A O no hydrogen 2.929 N/A ARG 184.A N SER 180.A O no hydrogen 3.000 N/A ARG 184.A N LEU 181.A O no hydrogen 3.140 N/A ARG 184.A NH1 GLN 146.A O no hydrogen 3.157 N/A ARG 184.A NH2 GLN 146.A O no hydrogen 2.577 N/A GLY 185.A N ILE 182.A O no hydrogen 3.005 N/A ALA 186.A N LEU 181.A O no hydrogen 3.194 N/A GLN 187.A N HIS 118.A O no hydrogen 2.590 N/A ILE 189.A N PRO 210.A O no hydrogen 3.043 N/A ILE 190.A N GLY 120.A O no hydrogen 2.846 N/A MET 191.A N ILE 212.A O no hydrogen 2.768 N/A GLY 192.A N LEU 122.A O no hydrogen 2.471 N/A CYS 193.A SG GLU 195.A OE1 no hydrogen 3.044 N/A THR 194.A OG1 PRO 82.A O no hydrogen 2.796 N/A ILE 196.A N CYS 193.A O no hydrogen 2.949 N/A ILE 199.A N GLU 195.A O no hydrogen 3.242 N/A VAL 200.A N ILE 196.A O no hydrogen 2.914 N/A HIS 203.A N VAL 200.A O no hydrogen 2.923 N/A ARG 205.A NH2 GLY 202.A O no hydrogen 2.800 N/A ILE 207.A N GLU 204.A O no hydrogen 3.001 N/A CYS 209.A SG PRO 210.A O no hydrogen 3.648 N/A ILE 212.A N ILE 189.A O no hydrogen 2.842 N/A SER 214.A OG ASN 84.A OD1 no hydrogen 3.108 N/A SER 214.A OG MET 191.A O no hydrogen 3.025 N/A ALA 216.A N ASP 213.A OD1 no hydrogen 3.249 N/A SER 217.A N ASP 213.A O no hydrogen 2.872 N/A SER 217.A OG ASP 111.A OD2 no hydrogen 2.903 N/A SER 217.A OG ASP 213.A O no hydrogen 2.905 N/A LEU 218.A N SER 214.A O no hydrogen 3.008 N/A VAL 219.A N THR 215.A O no hydrogen 3.034 N/A ARG 220.A N ALA 216.A O no hydrogen 2.999 N/A ARG 220.A NE ASP 111.A OD2 no hydrogen 3.219 N/A ARG 220.A NH1 ASP 111.A OD2 no hydrogen 2.736 N/A ALA 221.A N SER 217.A O no hydrogen 3.122 N/A ALA 222.A N LEU 218.A O no hydrogen 2.893 N/A ILE 223.A N VAL 219.A O no hydrogen 2.811 N/A ARG 224.A N ARG 220.A O no hydrogen 2.913 N/A TRP 225.A N ALA 221.A O no hydrogen 3.029 N/A TYR 226.A N ALA 222.A O no hydrogen 2.847 N/A GLU 227.A N ILE 223.A O no hydrogen 2.836 N/A SER 228.A N TRP 225.A O no hydrogen 3.218 N/A SER 228.A OG TRP 225.A O no hydrogen 2.524 N/A TRP 229.A N THR 232.A OG1 no hydrogen 2.959 N/A THR 232.A N TRP 229.A O no hydrogen 2.647 N/A THR 232.A OG1 TYR 226.A O no hydrogen 2.760 N/A THR 232.A OG1 TRP 229.A O no hydrogen 2.808 N/A