Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3du1_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N ASN 22.A O no hydrogen 2.954 N/A ASN 3.A N GLU 6.A OE2 no hydrogen 2.811 N/A GLU 6.A N ASN 3.A OD1 no hydrogen 3.009 N/A ILE 7.A N ASN 3.A O no hydrogen 3.112 N/A LEU 8.A N VAL 4.A O no hydrogen 2.917 N/A ARG 9.A N GLY 5.A O no hydrogen 2.861 N/A HIS 10.A N GLU 6.A O no hydrogen 2.965 N/A TYR 11.A N ILE 7.A O no hydrogen 2.838 N/A TYR 11.A OH THR 34.A O no hydrogen 2.581 N/A ALA 12.A N LEU 8.A O no hydrogen 2.968 N/A ALA 13.A N ARG 9.A O no hydrogen 2.970 N/A GLY 14.A N TYR 11.A O no hydrogen 2.842 N/A LYS 15.A N HIS 10.A O no hydrogen 3.027 N/A LYS 15.A NZ ASN 17.A O no hydrogen 2.817 N/A ARG 16.A NH1 TYR 11.A O no hydrogen 2.972 N/A ARG 16.A NH1 LYS 15.A O no hydrogen 2.901 N/A PHE 18.A N ASP 37.A O no hydrogen 2.809 N/A GLN 19.A N ASN 17.A OD1 no hydrogen 3.082 N/A GLN 19.A NE2 ASP 37.A OD2 no hydrogen 2.890 N/A HIS 20.A N SER 39.A O no hydrogen 2.954 N/A ILE 21.A N PHE 18.A O no hydrogen 3.315 N/A LEU 23.A N ASP 42.A O no hydrogen 2.762 N/A GLN 24.A N ASN 22.A OD1 no hydrogen 2.976 N/A GLN 24.A NE2 ASP 42.A OD2 no hydrogen 2.587 N/A GLU 25.A N ARG 44.A O no hydrogen 3.027 N/A ILE 26.A N LEU 23.A O no hydrogen 3.125 N/A LEU 28.A N ARG 47.A O no hydrogen 2.767 N/A THR 29.A OG1 GLU 27.A OE1 no hydrogen 3.173 N/A ASN 30.A N GLY 49.A O no hydrogen 2.945 N/A ALA 31.A N LEU 28.A O no hydrogen 3.103 N/A SER 32.A OG ASN 52.A O no hydrogen 3.570 N/A LEU 33.A N ASN 52.A O no hydrogen 2.987 N/A THR 34.A N SER 32.A OG no hydrogen 3.281 N/A THR 34.A OG1 SER 54.A O no hydrogen 2.811 N/A THR 34.A OG1 SER 54.A OG no hydrogen 3.113 N/A GLY 35.A N SER 54.A O no hydrogen 3.212 N/A ALA 36.A N LEU 33.A O no hydrogen 2.981 N/A ASP 37.A N ARG 16.A O no hydrogen 2.701 N/A LEU 38.A N CYS 57.A O no hydrogen 2.697 N/A SER 39.A N ASP 37.A OD1 no hydrogen 3.000 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.699 N/A TYR 40.A N ARG 59.A O no hydrogen 2.878 N/A ALA 41.A N LEU 38.A O no hydrogen 3.113 N/A ASP 42.A N ILE 21.A O no hydrogen 2.864 N/A LEU 43.A N ASP 62.A O no hydrogen 2.676 N/A ARG 44.A N ASP 42.A OD1 no hydrogen 3.206 N/A ARG 44.A NE ASP 42.A OD1 no hydrogen 2.967 N/A ARG 44.A NH2 ASP 42.A OD2 no hydrogen 2.984 N/A GLN 45.A N SER 64.A O no hydrogen 3.075 N/A GLN 45.A NE2 GLU 65.A OE2 no hydrogen 2.954 N/A THR 46.A N LEU 43.A O no hydrogen 3.299 N/A THR 46.A OG1 LEU 43.A O no hydrogen 2.696 N/A ARG 47.A N ILE 26.A O no hydrogen 2.818 N/A LEU 48.A N ILE 67.A O no hydrogen 2.734 N/A LYS 50.A N TRP 69.A O no hydrogen 2.780 N/A SER 51.A N LEU 48.A O no hydrogen 3.172 N/A SER 51.A OG LEU 48.A O no hydrogen 2.551 N/A ASN 52.A N ALA 31.A O no hydrogen 2.830 N/A PHE 53.A N ASP 72.A O no hydrogen 2.807 N/A SER 54.A N ASN 52.A OD1 no hydrogen 2.932 N/A SER 54.A OG THR 34.A OG1 no hydrogen 3.113 N/A SER 54.A OG ASN 52.A OD1 no hydrogen 2.645 N/A HIS 55.A N SER 74.A O no hydrogen 2.901 N/A THR 56.A N PHE 53.A O no hydrogen 3.415 N/A THR 56.A OG1 PHE 53.A O no hydrogen 2.791 N/A CYS 57.A N ALA 36.A O no hydrogen 2.989 N/A CYS 57.A SG SER 39.A OG no hydrogen 3.236 N/A LEU 58.A N ASP 77.A O no hydrogen 2.691 N/A ARG 59.A NH1 ASP 77.A OD2 no hydrogen 2.743 N/A GLU 60.A N TYR 79.A O no hydrogen 2.801 N/A ALA 61.A N LEU 58.A O no hydrogen 3.182 N/A ASP 62.A N ALA 41.A O no hydrogen 2.953 N/A LEU 63.A N ILE 82.A O no hydrogen 2.690 N/A SER 64.A N ASP 62.A OD1 no hydrogen 2.999 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.651 N/A GLU 65.A N ARG 84.A O no hydrogen 2.824 N/A ALA 66.A N LEU 63.A O no hydrogen 3.031 N/A ILE 67.A N THR 46.A O no hydrogen 2.844 N/A LEU 68.A N ASP 87.A O no hydrogen 2.784 N/A GLY 70.A N THR 89.A O no hydrogen 2.851 N/A ILE 71.A N LEU 68.A O no hydrogen 3.055 N/A ASP 72.A N SER 51.A O no hydrogen 2.919 N/A LEU 73.A N LYS 92.A O no hydrogen 2.829 N/A SER 74.A N ASP 72.A OD1 no hydrogen 2.869 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.765 N/A GLU 75.A N VAL 94.A O no hydrogen 3.016 N/A ALA 76.A N LEU 73.A O no hydrogen 2.956 N/A ASP 77.A N THR 56.A O no hydrogen 2.926 N/A LEU 78.A N ARG 97.A O no hydrogen 2.752 N/A TYR 79.A N ASP 77.A OD1 no hydrogen 3.171 N/A ARG 80.A N GLU 99.A O no hydrogen 2.885 N/A ARG 80.A NH1 GLU 100.A OE2 no hydrogen 2.938 N/A ALA 81.A N LEU 78.A O no hydrogen 2.968 N/A ILE 82.A N ALA 61.A O no hydrogen 2.884 N/A LEU 83.A N ASN 102.A O no hydrogen 2.697 N/A ARG 84.A NH1 GLU 65.A OE1 no hydrogen 2.728 N/A ARG 84.A NH2 GLU 65.A OE1 no hydrogen 2.861 N/A GLU 85.A N ILE 104.A O no hydrogen 2.803 N/A ALA 86.A N LEU 83.A O no hydrogen 3.077 N/A ASP 87.A N ALA 66.A O no hydrogen 2.915 N/A LEU 88.A N SER 107.A O no hydrogen 2.715 N/A THR 89.A N ASP 87.A OD1 no hydrogen 3.089 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.670 N/A GLY 90.A N CYS 109.A O no hydrogen 2.807 N/A ALA 91.A N LEU 88.A O no hydrogen 3.046 N/A LYS 92.A N ILE 71.A O no hydrogen 2.793 N/A LEU 93.A N ASN 112.A O no hydrogen 2.698 N/A LYS 95.A N ASN 114.A O no hydrogen 2.964 N/A THR 96.A N LEU 93.A O no hydrogen 3.262 N/A THR 96.A OG1 LEU 73.A O no hydrogen 2.692 N/A ARG 97.A N ALA 76.A O no hydrogen 2.974 N/A LEU 98.A N ASN 117.A O no hydrogen 2.645 N/A GLU 100.A N SER 119.A O no hydrogen 2.923 N/A ALA 101.A N LEU 98.A O no hydrogen 2.995 N/A ASN 102.A N ALA 81.A O no hydrogen 3.011 N/A LEU 103.A N LEU 122.A O no hydrogen 2.711 N/A ILE 104.A N ASN 102.A OD1 no hydrogen 2.982 N/A LYS 105.A N PHE 124.A O no hydrogen 2.825 N/A LYS 105.A NZ GLN 125.A OE1 no hydrogen 3.535 N/A ALA 106.A N LEU 103.A O no hydrogen 3.068 N/A SER 107.A N ALA 86.A O no hydrogen 2.995 N/A LEU 108.A N ASP 127.A O no hydrogen 2.761 N/A CYS 109.A SG ASP 127.A O no hydrogen 3.804 N/A GLY 110.A N THR 136.A OG1 no hydrogen 2.930 N/A ALA 111.A N LEU 108.A O no hydrogen 2.904 N/A ASN 112.A N ALA 91.A O no hydrogen 2.915 N/A LEU 113.A N ASP 137.A O no hydrogen 2.664 N/A ASN 114.A N ASN 112.A OD1 no hydrogen 3.078 N/A ASN 114.A ND2 ASN 112.A OD1 no hydrogen 2.939 N/A ASN 114.A ND2 ASP 137.A OD2 no hydrogen 2.681 N/A SER 115.A N GLY 139.A O no hydrogen 2.937 N/A ALA 116.A N LEU 113.A O no hydrogen 2.900 N/A ASN 117.A N THR 96.A O no hydrogen 2.907 N/A LEU 118.A N LEU 142.A O no hydrogen 2.725 N/A SER 119.A N ASN 117.A OD1 no hydrogen 3.033 N/A SER 119.A OG ASN 117.A OD1 no hydrogen 2.829 N/A ARG 120.A N THR 144.A O no hydrogen 2.757 N/A ARG 120.A NE GLU 100.A OE1 no hydrogen 2.958 N/A CYS 121.A N LEU 118.A O no hydrogen 3.121 N/A CYS 121.A SG LEU 118.A O no hydrogen 3.351 N/A LEU 122.A N ALA 101.A O no hydrogen 2.997 N/A LEU 123.A N ASP 147.A O no hydrogen 2.769 N/A GLN 125.A N SER 149.A O no hydrogen 2.981 N/A ALA 126.A N LEU 123.A O no hydrogen 3.014 N/A ASP 127.A N ALA 106.A O no hydrogen 2.874 N/A LEU 128.A N ASP 152.A O no hydrogen 2.714 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 3.103 N/A ARG 129.A NE ASP 127.A OD1 no hydrogen 2.953 N/A ARG 129.A NE ASP 127.A OD2 no hydrogen 3.432 N/A ARG 129.A NH2 ASP 127.A OD2 no hydrogen 2.934 N/A SER 131.A N GLN 134.A O no hydrogen 3.016 N/A SER 131.A OG GLN 134.A O no hydrogen 3.391 N/A ASN 133.A N SER 131.A OG no hydrogen 3.085 N/A GLN 134.A N SER 131.A OG no hydrogen 3.226 N/A GLN 134.A NE2 GLY 110.A O no hydrogen 2.746 N/A ARG 135.A NE ALA 155.A O no hydrogen 2.800 N/A ARG 135.A NH2 ALA 155.A O no hydrogen 3.263 N/A THR 136.A OG1 LEU 108.A O no hydrogen 3.560 N/A THR 136.A OG1 LEU 128.A O no hydrogen 2.747 N/A THR 136.A OG1 ARG 129.A O no hydrogen 3.144 N/A ASP 137.A N ALA 111.A O no hydrogen 2.978 N/A LEU 138.A N SER 157.A O no hydrogen 2.703 N/A GLY 139.A N ASP 137.A OD1 no hydrogen 2.926 N/A TYR 140.A N HIS 159.A O no hydrogen 2.804 N/A VAL 141.A N LEU 138.A O no hydrogen 3.043 N/A LEU 142.A N ALA 116.A O no hydrogen 2.940 N/A LEU 143.A N ASN 162.A O no hydrogen 2.763 N/A THR 144.A OG1 ASN 162.A OD1 no hydrogen 2.801 N/A GLY 145.A N ASP 164.A O no hydrogen 2.910 N/A ALA 146.A N LEU 143.A O no hydrogen 3.102 N/A ASP 147.A N CYS 121.A O no hydrogen 2.966 N/A LEU 148.A N LYS 167.A O no hydrogen 2.756 N/A SER 149.A N ASP 147.A OD1 no hydrogen 2.871 N/A SER 149.A OG ASP 147.A OD1 no hydrogen 2.646 N/A TYR 150.A N CYS 169.A O no hydrogen 2.969 N/A ALA 151.A N LEU 148.A O no hydrogen 2.906 N/A ASP 152.A N ALA 126.A O no hydrogen 2.869 N/A LEU 153.A N ASN 172.A O no hydrogen 2.772 N/A ARG 154.A N ASP 152.A OD1 no hydrogen 3.341 N/A ARG 154.A NE ASP 152.A OD1 no hydrogen 2.987 N/A ARG 154.A NE ASP 152.A OD2 no hydrogen 3.411 N/A ARG 154.A NH2 ASP 152.A OD2 no hydrogen 2.778 N/A ALA 155.A N GLY 174.A O no hydrogen 3.405 N/A ALA 156.A N LEU 153.A O no hydrogen 2.908 N/A SER 157.A N THR 136.A O no hydrogen 2.857 N/A LEU 158.A N ASP 185.A O no hydrogen 2.772 N/A HIS 159.A NE2 ASP 185.A OD2 no hydrogen 2.634 N/A HIS 160.A N SER 187.A O no hydrogen 3.146 N/A ALA 161.A N LEU 158.A O no hydrogen 3.082 N/A ASN 162.A N VAL 141.A O no hydrogen 2.897 N/A LEU 163.A N SER 190.A O no hydrogen 2.604 N/A ASP 164.A N ASN 162.A OD1 no hydrogen 2.991 N/A GLY 165.A N GLN 192.A O no hydrogen 2.806 N/A ALA 166.A N LEU 163.A O no hydrogen 3.072 N/A LYS 167.A N ALA 146.A O no hydrogen 2.852 N/A LEU 168.A N ASP 195.A O no hydrogen 2.731 N/A CYS 169.A SG ASP 195.A OD2 no hydrogen 3.337 N/A CYS 169.A SG SER 197.A OG no hydrogen 3.682 N/A ARG 170.A N SER 197.A O no hydrogen 3.109 N/A ALA 171.A N LEU 168.A O no hydrogen 2.965 N/A ASN 172.A N ALA 151.A O no hydrogen 2.964 N/A PHE 173.A N ASN 200.A O no hydrogen 2.740 N/A GLY 174.A N ASN 172.A OD1 no hydrogen 3.087 N/A ARG 175.A NH1 ASN 181.A O no hydrogen 2.819 N/A THR 176.A N LEU 182.A O no hydrogen 3.056 N/A GLN 178.A N THR 176.A OG1 no hydrogen 3.273 N/A TRP 179.A N THR 176.A O no hydrogen 3.133 N/A LEU 182.A N TRP 179.A O no hydrogen 3.139 N/A ALA 184.A N PHE 173.A O no hydrogen 3.337 N/A ASP 185.A N ALA 156.A O no hydrogen 2.902 N/A LEU 186.A N ILE 205.A O no hydrogen 2.716 N/A SER 187.A N ASP 185.A OD1 no hydrogen 3.045 N/A SER 187.A OG ASP 185.A OD1 no hydrogen 2.588 N/A GLY 188.A N ARG 207.A O no hydrogen 2.935 N/A ALA 189.A N LEU 186.A O no hydrogen 3.047 N/A SER 190.A N ALA 161.A O no hydrogen 2.769 N/A SER 190.A OG ASP 164.A OD1 no hydrogen 2.582 N/A SER 190.A OG ASP 164.A OD2 no hydrogen 3.492 N/A LEU 191.A N ASN 210.A O no hydrogen 2.765 N/A GLN 192.A N ASP 164.A OD1 no hydrogen 2.999 N/A GLN 192.A NE2 SER 190.A OG no hydrogen 2.929 N/A GLY 193.A N GLN 212.A O no hydrogen 2.942 N/A ALA 194.A N LEU 191.A O no hydrogen 3.085 N/A ASP 195.A N ALA 166.A O no hydrogen 2.876 N/A LEU 196.A N ASP 215.A O no hydrogen 2.828 N/A SER 197.A N ASP 195.A OD1 no hydrogen 3.055 N/A SER 197.A OG ASP 195.A OD1 no hydrogen 2.723 N/A TYR 198.A N THR 217.A O no hydrogen 2.802 N/A ALA 199.A N LEU 196.A O no hydrogen 3.038 N/A ASN 200.A N ALA 171.A O no hydrogen 2.926 N/A ASN 200.A ND2 ASN 172.A OD1 no hydrogen 2.812 N/A LEU 201.A N ILE 220.A O no hydrogen 2.783 N/A GLU 202.A N ASN 200.A OD1 no hydrogen 3.293 N/A SER 203.A N LYS 222.A O no hydrogen 2.952 N/A ALA 204.A N LEU 201.A O no hydrogen 2.951 N/A ILE 205.A N ALA 184.A O no hydrogen 3.077 N/A LEU 206.A N GLU 225.A O no hydrogen 2.708 N/A ARG 207.A NE GLU 225.A OE2 no hydrogen 3.022 N/A LYS 208.A N LYS 227.A O no hydrogen 3.079 N/A ALA 209.A N LEU 206.A O no hydrogen 3.040 N/A ASN 210.A N ALA 189.A O no hydrogen 2.991 N/A LEU 211.A N ILE 230.A O no hydrogen 2.687 N/A GLN 212.A N ASN 210.A OD1 no hydrogen 2.995 N/A GLY 213.A N PRO 232.A O no hydrogen 2.871 N/A ALA 214.A N LEU 211.A O no hydrogen 2.888 N/A ASP 215.A N ALA 194.A O no hydrogen 2.849 N/A THR 217.A N ASP 215.A OD1 no hydrogen 2.951 N/A THR 217.A OG1 ASP 215.A OD1 no hydrogen 2.634 N/A ALA 219.A N LEU 216.A O no hydrogen 2.902 N/A ILE 220.A N ALA 199.A O no hydrogen 2.980 N/A LYS 222.A NZ ASP 223.A OD2 no hydrogen 2.755 N/A ALA 224.A N LEU 221.A O no hydrogen 3.030 N/A GLU 225.A N ALA 204.A O no hydrogen 2.896 N/A GLY 228.A N HIS 237.A O no hydrogen 3.057 N/A ALA 229.A N LEU 226.A O no hydrogen 2.938 N/A ILE 230.A N ALA 209.A O no hydrogen 2.913 N/A MET 231.A N SER 235.A O no hydrogen 2.735 N/A GLY 234.A N MET 231.A O no hydrogen 2.785 N/A SER 235.A N ASP 233.A OD1 no hydrogen 2.824 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.673 N/A HIS 237.A N ALA 229.A O no hydrogen 2.847 N/A