Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cpg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ THR 49.A O no hydrogen 2.981 N/A LYS 1.A NZ GLU 54.A OE1 no hydrogen 2.720 N/A ALA 4.A N ASN 2.A OD1 no hydrogen 2.862 N/A ASN 5.A N ASN 2.A O no hydrogen 3.134 N/A ASN 5.A ND2 VAL 7.A O no hydrogen 2.861 N/A ASN 5.A ND2 ASP 51.A OD2 no hydrogen 3.070 N/A ARG 12.A N ASP 9.A OD1 no hydrogen 2.723 N/A ARG 12.A NE GLU 54.A OE2 no hydrogen 3.196 N/A ARG 12.A NH1 GLU 15.A OE1 no hydrogen 2.978 N/A ARG 12.A NH1 PHE 247.A O no hydrogen 3.484 N/A ARG 12.A NH2 GLU 54.A OE2 no hydrogen 2.952 N/A ARG 12.A NH2 PHE 247.A O no hydrogen 2.928 N/A ALA 13.A N ASP 9.A O no hydrogen 3.021 N/A ARG 14.A N ASP 10.A O no hydrogen 2.954 N/A GLU 15.A N ALA 11.A O no hydrogen 2.993 N/A ILE 16.A N ARG 12.A O no hydrogen 3.064 N/A THR 17.A N ALA 13.A O no hydrogen 2.978 N/A THR 17.A OG1 ALA 13.A O no hydrogen 2.772 N/A ASP 18.A N ARG 14.A O no hydrogen 2.907 N/A GLY 19.A N GLU 15.A O no hydrogen 2.898 N/A VAL 20.A N ILE 16.A O no hydrogen 2.930 N/A HIS 21.A N THR 17.A O no hydrogen 3.015 N/A ARG 22.A N ASP 18.A O no hydrogen 2.845 N/A VAL 23.A N GLY 19.A O no hydrogen 3.038 N/A LEU 24.A N VAL 20.A O no hydrogen 2.872 N/A ASP 25.A N HIS 21.A O no hydrogen 2.967 N/A ARG 26.A N ARG 22.A O no hydrogen 2.898 N/A ARG 26.A NE GLU 230.A OE2 no hydrogen 3.030 N/A ARG 26.A NH2 THR 227.A O no hydrogen 3.080 N/A ARG 26.A NH2 GLU 230.A OE1 no hydrogen 2.969 N/A ARG 26.A NH2 GLU 230.A OE2 no hydrogen 3.368 N/A ILE 27.A N VAL 23.A O no hydrogen 2.855 N/A ALA 28.A N LEU 24.A O no hydrogen 2.976 N/A ALA 29.A N ASP 25.A O no hydrogen 2.830 N/A ALA 30.A N ARG 26.A O no hydrogen 2.813 N/A GLU 31.A N ILE 27.A O no hydrogen 2.898 N/A GLU 32.A N ALA 28.A O no hydrogen 3.035 N/A GLN 33.A N ALA 29.A O no hydrogen 3.010 N/A ALA 34.A N ALA 30.A O no hydrogen 3.029 N/A GLY 35.A N GLU 32.A O no hydrogen 3.070 N/A ARG 36.A N GLU 31.A O no hydrogen 2.765 N/A ARG 36.A NH1 ILE 233.A O no hydrogen 2.890 N/A ARG 36.A NH1 SER 237.A O no hydrogen 2.801 N/A ARG 36.A NH2 SER 237.A O no hydrogen 2.881 N/A SER 40.A N GLU 37.A O no hydrogen 3.167 N/A SER 40.A OG GLU 37.A O no hydrogen 2.565 N/A VAL 41.A N GLU 31.A OE2 no hydrogen 2.974 N/A ARG 42.A N THR 238.A O no hydrogen 2.847 N/A ARG 42.A NH2 GLU 223.A OE2 no hydrogen 3.007 N/A LEU 44.A N VAL 240.A O no hydrogen 2.913 N/A ALA 46.A N VAL 242.A O no hydrogen 2.773 N/A THR 47.A N GLY 65.A O no hydrogen 3.031 N/A THR 47.A OG1 GLY 65.A O no hydrogen 3.397 N/A THR 47.A OG1 GLU 66.A OE2 no hydrogen 2.497 N/A THR 49.A N GLU 71.A OE1 no hydrogen 2.740 N/A THR 49.A N GLU 71.A OE2 no hydrogen 3.406 N/A THR 49.A OG1 LYS 48.A O no hydrogen 2.511 N/A ARG 50.A N THR 47.A O no hydrogen 3.042 N/A ASP 51.A N GLU 54.A OE1 no hydrogen 2.819 N/A ILE 52.A N LEU 3.A O no hydrogen 3.063 N/A GLY 53.A N ASN 5.A O no hydrogen 2.953 N/A GLU 54.A N ASP 51.A OD1 no hydrogen 2.765 N/A ILE 55.A N ASP 51.A O no hydrogen 2.959 N/A ALA 57.A N GLU 54.A O no hydrogen 3.168 N/A ILE 58.A N ILE 55.A O no hydrogen 2.973 N/A ALA 60.A N ALA 56.A O no hydrogen 3.075 N/A ALA 60.A N ALA 57.A O no hydrogen 3.123 N/A GLY 61.A N ILE 58.A O no hydrogen 3.032 N/A VAL 62.A N ALA 57.A O no hydrogen 3.095 N/A ARG 63.A NH1 ILE 58.A O no hydrogen 2.773 N/A ARG 63.A NH1 VAL 62.A O no hydrogen 2.800 N/A ILE 64.A N PRO 99.A O no hydrogen 3.063 N/A GLY 65.A N ALA 45.A O no hydrogen 2.993 N/A GLU 66.A N HIS 101.A O no hydrogen 2.945 N/A ARG 68.A NE GLU 71.A OE2 no hydrogen 3.186 N/A ARG 68.A NH2 GLU 71.A OE2 no hydrogen 3.300 N/A GLU 71.A N ARG 68.A O no hydrogen 2.950 N/A VAL 72.A N ARG 68.A O no hydrogen 3.156 N/A THR 73.A N PRO 69.A O no hydrogen 2.939 N/A THR 73.A OG1 PRO 69.A O no hydrogen 3.569 N/A THR 73.A OG1 GLN 70.A O no hydrogen 2.803 N/A ALA 74.A N GLN 70.A O no hydrogen 3.044 N/A LYS 75.A N GLU 71.A O no hydrogen 3.050 N/A LYS 75.A NZ ARG 50.A O no hydrogen 2.887 N/A LYS 75.A NZ GLU 66.A OE1 no hydrogen 3.035 N/A LYS 75.A NZ GLU 66.A OE2 no hydrogen 2.711 N/A LYS 75.A NZ GLU 71.A OE1 no hydrogen 2.880 N/A ALA 76.A N VAL 72.A O no hydrogen 2.808 N/A LEU 79.A N LYS 75.A O no hydrogen 2.924 N/A ALA 80.A N ALA 76.A O no hydrogen 2.954 N/A ARG 81.A N GLU 77.A O no hydrogen 3.098 N/A ARG 81.A NE GLU 85.A OE2 no hydrogen 2.916 N/A ARG 81.A NH1 GLU 6.A OE2 no hydrogen 2.949 N/A ARG 81.A NH2 GLU 6.A OE1 no hydrogen 2.792 N/A ARG 81.A NH2 GLU 6.A OE2 no hydrogen 3.306 N/A ARG 82.A N GLY 78.A O no hydrogen 2.914 N/A ARG 82.A NH1 GLU 6.A O no hydrogen 2.974 N/A ARG 82.A NH1 GLU 6.A OE1 no hydrogen 2.943 N/A CYS 83.A N LEU 79.A O no hydrogen 2.859 N/A CYS 83.A SG LEU 79.A O no hydrogen 3.394 N/A ALA 84.A N ALA 80.A O no hydrogen 2.915 N/A GLU 85.A N ARG 81.A O no hydrogen 3.032 N/A ARG 86.A N ARG 82.A O no hydrogen 3.194 N/A ARG 86.A NE ASP 59.A OD1 no hydrogen 2.717 N/A ARG 86.A NE ASP 59.A OD2 no hydrogen 3.351 N/A ARG 86.A NH2 ASP 59.A OD2 no hydrogen 3.116 N/A GLY 87.A N ALA 84.A O no hydrogen 2.895 N/A PHE 88.A N CYS 83.A O no hydrogen 2.776 N/A SER 89.A N GLU 96.A O no hydrogen 3.042 N/A GLY 91.A N ILE 98.A O no hydrogen 3.038 N/A VAL 92.A N VAL 117.A O no hydrogen 2.847 N/A HIS 97.A NE2 GLY 91.A O no hydrogen 2.951 N/A ILE 98.A N SER 89.A O no hydrogen 2.790 N/A PHE 100.A N ASP 119.A OD1 no hydrogen 2.925 N/A HIS 101.A N ILE 64.A O no hydrogen 2.829 N/A HIS 101.A ND1 GLU 122.A OE2 no hydrogen 2.698 N/A LEU 102.A N THR 120.A O no hydrogen 3.060 N/A ILE 103.A N GLU 66.A O no hydrogen 2.797 N/A GLN 105.A NE2 GLU 149.A OE1 no hydrogen 3.228 N/A GLN 107.A NE2 ASN 109.A OD1 no hydrogen 2.691 N/A LYS 110.A N GLN 107.A O no hydrogen 2.914 N/A ILE 111.A N SER 108.A O no hydrogen 3.295 N/A LYS 113.A N LYS 110.A O no hydrogen 2.967 N/A VAL 114.A N ILE 111.A O no hydrogen 2.996 N/A LEU 115.A N ILE 111.A O no hydrogen 3.074 N/A VAL 117.A N VAL 114.A O no hydrogen 2.943 N/A VAL 118.A N VAL 114.A O no hydrogen 2.929 N/A ASP 119.A N PHE 100.A O no hydrogen 3.045 N/A THR 120.A OG1 GLN 182.A OE1 no hydrogen 2.789 N/A ILE 121.A N GLY 145.A O no hydrogen 2.835 N/A GLU 122.A N LEU 102.A O no hydrogen 2.880 N/A SER 123.A OG GLY 104.A O no hydrogen 2.710 N/A LEU 129.A N SER 126.A OG no hydrogen 2.947 N/A ALA 130.A N SER 126.A O no hydrogen 3.024 N/A GLU 131.A N ILE 127.A O no hydrogen 2.884 N/A LYS 132.A N ASP 128.A O no hydrogen 3.120 N/A LYS 132.A NZ SER 108.A OG no hydrogen 3.148 N/A LYS 132.A NZ ASP 128.A OD2 no hydrogen 3.296 N/A ILE 133.A N LEU 129.A O no hydrogen 2.935 N/A SER 134.A N ALA 130.A O no hydrogen 2.862 N/A SER 134.A OG ASP 177.A O no hydrogen 2.674 N/A ARG 135.A N GLU 131.A O no hydrogen 2.913 N/A ARG 136.A N LYS 132.A O no hydrogen 3.404 N/A ARG 136.A NH1 LYS 132.A O no hydrogen 2.987 N/A ALA 137.A N ILE 133.A O no hydrogen 2.861 N/A VAL 138.A N SER 134.A O no hydrogen 2.883 N/A ALA 139.A N ARG 135.A O no hydrogen 3.128 N/A ARG 140.A N ARG 136.A O no hydrogen 3.044 N/A GLY 141.A N VAL 138.A O no hydrogen 2.992 N/A ILE 142.A N ALA 137.A O no hydrogen 3.051 N/A VAL 144.A N GLY 178.A O no hydrogen 2.862 N/A GLY 145.A N ASP 119.A O no hydrogen 2.801 N/A VAL 146.A N GLU 180.A O no hydrogen 2.914 N/A LEU 147.A N ILE 121.A O no hydrogen 3.011 N/A LEU 148.A N GLY 183.A O no hydrogen 2.980 N/A GLU 149.A N VAL 124.A O no hydrogen 2.728 N/A ASN 151.A N CYS 161.A O no hydrogen 2.969 N/A ASN 151.A ND2 GLU 155.A O no hydrogen 2.831 N/A SER 153.A N ASN 151.A OD1 no hydrogen 2.926 N/A SER 153.A OG ASN 151.A OD1 no hydrogen 2.690 N/A GLU 155.A N SER 153.A OG no hydrogen 3.001 N/A LYS 158.A N GLU 155.A O no hydrogen 2.990 N/A CYS 161.A N GLU 149.A O no hydrogen 2.869 N/A CYS 161.A SG GLU 149.A O no hydrogen 3.760 N/A CYS 161.A SG ASP 162.A O no hydrogen 3.585 N/A ALA 164.A N ASP 162.A OD1 no hydrogen 2.805 N/A HIS 165.A N ASP 162.A O no hydrogen 2.989 N/A ALA 166.A N PRO 163.A O no hydrogen 3.409 N/A ILE 169.A N HIS 165.A O no hydrogen 2.994 N/A ALA 170.A N ALA 166.A O no hydrogen 2.894 N/A GLN 171.A N ILE 167.A O no hydrogen 3.005 N/A LYS 172.A N ARG 168.A O no hydrogen 3.159 N/A LYS 172.A NZ GLU 131.A OE2 no hydrogen 3.480 N/A ILE 173.A N ILE 169.A O no hydrogen 2.926 N/A GLY 174.A N ALA 170.A O no hydrogen 2.923 N/A THR 175.A N LYS 172.A O no hydrogen 2.991 N/A THR 175.A OG1 LYS 172.A O no hydrogen 2.581 N/A LEU 176.A N ILE 173.A O no hydrogen 3.035 N/A GLU 180.A N VAL 144.A O no hydrogen 3.000 N/A GLN 182.A N VAL 146.A O no hydrogen 2.872 N/A GLN 182.A NE2 GLU 180.A OE1 no hydrogen 2.876 N/A LEU 184.A N GLU 223.A O no hydrogen 2.844 N/A THR 185.A OG1 VAL 150.A O no hydrogen 2.823 N/A GLY 187.A N THR 185.A OG1 no hydrogen 3.135 N/A THR 194.A N ASP 192.A OD1 no hydrogen 2.884 N/A THR 194.A OG1 ASP 192.A OD1 no hydrogen 2.491 N/A VAL 195.A N ASP 192.A O no hydrogen 3.094 N/A ILE 196.A N ASP 192.A O no hydrogen 3.138 N/A ARG 197.A N GLU 193.A O no hydrogen 2.879 N/A ARG 198.A N THR 194.A O no hydrogen 3.066 N/A GLY 199.A N VAL 195.A O no hydrogen 3.237 N/A PHE 200.A N ILE 196.A O no hydrogen 3.234 N/A SER 201.A N ARG 197.A O no hydrogen 2.883 N/A HIS 202.A N ARG 198.A O no hydrogen 2.918 N/A HIS 202.A ND1 GLU 152.A OE2 no hydrogen 2.675 N/A LEU 203.A N GLY 199.A O no hydrogen 3.058 N/A ARG 204.A N PHE 200.A O no hydrogen 2.996 N/A ARG 204.A NH1 GLU 235.A O no hydrogen 2.910 N/A ARG 204.A NH1 GLU 235.A OE1 no hydrogen 2.896 N/A LYS 205.A N SER 201.A O no hydrogen 2.988 N/A THR 206.A N HIS 202.A O no hydrogen 2.938 N/A THR 206.A OG1 HIS 202.A O no hydrogen 2.891 N/A ARG 207.A N LEU 203.A O no hydrogen 2.920 N/A ARG 207.A NE ASP 208.A OD1 no hydrogen 2.741 N/A ARG 207.A NH1 ARG 222.A O no hydrogen 2.875 N/A ARG 207.A NH2 ASP 208.A OD1 no hydrogen 3.000 N/A ASP 208.A N ARG 204.A O no hydrogen 2.924 N/A LEU 209.A N LYS 205.A O no hydrogen 2.972 N/A ILE 210.A N THR 206.A O no hydrogen 3.008 N/A LEU 211.A N ARG 207.A O no hydrogen 3.082 N/A ALA 212.A N ASP 208.A O no hydrogen 2.963 N/A SER 213.A N LEU 209.A O no hydrogen 2.947 N/A SER 213.A N ILE 210.A O no hydrogen 3.259 N/A SER 213.A OG ILE 210.A O no hydrogen 2.753 N/A GLU 215.A N SER 213.A OG no hydrogen 3.252 N/A THR 218.A N GLU 215.A O no hydrogen 3.165 N/A THR 218.A OG1 GLU 215.A O no hydrogen 2.575 N/A CYS 221.A N THR 218.A O no hydrogen 3.206 N/A ARG 222.A N GLN 182.A O no hydrogen 3.205 N/A ARG 222.A N ARG 220.A O no hydrogen 2.807 N/A GLU 223.A N GLN 182.A O no hydrogen 2.858 N/A LEU 224.A N THR 238.A OG1 no hydrogen 2.911 N/A SER 225.A N LEU 184.A O no hydrogen 2.893 N/A SER 225.A OG GLU 122.A OE1 no hydrogen 2.633 N/A ALA 232.A N ASP 229.A O no hydrogen 3.072 N/A ALA 234.A N GLU 230.A O no hydrogen 3.003 N/A GLU 235.A N LEU 231.A O no hydrogen 3.033 N/A GLU 235.A N ALA 232.A O no hydrogen 3.056 N/A GLY 236.A N ILE 233.A O no hydrogen 3.141 N/A SER 237.A N ALA 232.A O no hydrogen 2.985 N/A SER 237.A OG LEU 224.A O no hydrogen 3.404 N/A THR 238.A N LEU 224.A O no hydrogen 2.942 N/A THR 238.A OG1 GLU 223.A OE1 no hydrogen 2.576 N/A THR 238.A OG1 LEU 224.A O no hydrogen 3.498 N/A ILE 239.A N LEU 224.A O no hydrogen 3.146 N/A VAL 240.A N ARG 42.A O no hydrogen 3.083 N/A ARG 241.A N GLY 226.A O no hydrogen 2.889 N/A ARG 241.A NH1 THR 185.A O no hydrogen 3.407 N/A ARG 241.A NH1 SER 225.A O no hydrogen 2.973 N/A ARG 241.A NH1 SER 225.A OG no hydrogen 3.070 N/A ARG 241.A NH2 THR 185.A O no hydrogen 2.999 N/A VAL 242.A N LEU 44.A O no hydrogen 2.884 N/A ALA 245.A N THR 227.A OG1 no hydrogen 3.050 N/A ILE 246.A N GLY 243.A O no hydrogen 2.997 N/A PHE 247.A N GLY 243.A O no hydrogen 2.915 N/A