Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s90_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 8.A OE1 no hydrogen 3.469 N/A ARG 5.A N GLU 179.A O no hydrogen 2.791 N/A ARG 5.A NE GLN 178.A O no hydrogen 3.162 N/A GLU 8.A N THR 4.A O no hydrogen 2.930 N/A SER 9.A N ARG 5.A O no hydrogen 2.930 N/A SER 9.A OG ARG 5.A O no hydrogen 3.267 N/A SER 9.A OG THR 6.A O no hydrogen 2.737 N/A ILE 10.A N THR 6.A O no hydrogen 3.097 N/A LEU 11.A N ILE 7.A O no hydrogen 2.937 N/A GLU 12.A N GLU 8.A O no hydrogen 2.954 N/A ALA 15.A N LEU 11.A O no hydrogen 2.851 N/A GLN 16.A N GLU 12.A O no hydrogen 3.097 N/A GLN 17.A N PRO 13.A O no hydrogen 3.130 N/A ILE 18.A N VAL 14.A O no hydrogen 2.992 N/A SER 19.A N ALA 15.A O no hydrogen 2.886 N/A HIS 20.A N GLN 16.A O no hydrogen 3.064 N/A LEU 21.A N GLN 17.A O no hydrogen 3.086 N/A VAL 22.A N ILE 18.A O no hydrogen 2.746 N/A ILE 23.A N SER 19.A O no hydrogen 3.030 N/A MET 24.A N HIS 20.A O no hydrogen 3.103 N/A HIS 25.A N LEU 21.A O no hydrogen 2.849 N/A HIS 25.A NE2 ASP 104.A OD1 no hydrogen 2.784 N/A GLU 26.A N VAL 22.A O no hydrogen 2.933 N/A GLU 27.A N ILE 23.A O no hydrogen 3.024 N/A GLY 28.A N HIS 25.A O no hydrogen 3.145 N/A GLU 29.A N MET 24.A O no hydrogen 3.028 N/A LYS 33.A N VAL 30.A O no hydrogen 3.065 N/A THR 39.A N ASP 37.A OD1 no hydrogen 3.505 N/A THR 39.A OG1 ASP 37.A OD1 no hydrogen 2.935 N/A VAL 42.A N LEU 38.A O no hydrogen 3.003 N/A ALA 43.A N THR 39.A O no hydrogen 3.013 N/A ALA 44.A N ALA 40.A O no hydrogen 3.010 N/A VAL 45.A N PRO 41.A O no hydrogen 3.319 N/A GLN 46.A N VAL 42.A O no hydrogen 2.889 N/A ALA 47.A N ALA 43.A O no hydrogen 2.919 N/A ALA 48.A N ALA 44.A O no hydrogen 3.120 N/A VAL 49.A N VAL 45.A O no hydrogen 2.824 N/A SER 50.A N GLN 46.A O no hydrogen 2.963 N/A SER 50.A OG GLN 46.A O no hydrogen 2.785 N/A ASN 51.A N ALA 47.A O no hydrogen 3.235 N/A LEU 52.A N ALA 48.A O no hydrogen 3.041 N/A VAL 53.A N VAL 49.A O no hydrogen 3.009 N/A ARG 54.A N SER 50.A O no hydrogen 3.003 N/A ARG 54.A NH1 GLU 58.A OE1 no hydrogen 3.129 N/A VAL 55.A N ASN 51.A O no hydrogen 3.009 N/A GLY 56.A N LEU 52.A O no hydrogen 2.754 N/A LYS 57.A N VAL 53.A O no hydrogen 2.747 N/A GLU 58.A N ARG 54.A O no hydrogen 3.163 N/A THR 59.A N VAL 55.A O no hydrogen 3.221 N/A THR 59.A OG1 VAL 55.A O no hydrogen 3.131 N/A VAL 60.A N GLY 56.A O no hydrogen 3.094 N/A GLN 61.A N LYS 57.A O no hydrogen 3.144 N/A THR 62.A N GLU 58.A O no hydrogen 3.357 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.701 N/A THR 62.A OG1 THR 59.A O no hydrogen 3.401 N/A THR 63.A N THR 59.A O no hydrogen 2.886 N/A ASP 65.A N THR 63.A OG1 no hydrogen 3.259 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.053 N/A LYS 69.A N ASP 65.A O no hydrogen 3.142 N/A LYS 69.A NZ VAL 60.A O no hydrogen 2.881 N/A ARG 70.A N GLN 66.A O no hydrogen 3.081 N/A ARG 70.A NE ASP 71.A OD1 no hydrogen 3.216 N/A ASP 71.A N ILE 67.A O no hydrogen 2.841 N/A MET 72.A N LEU 68.A O no hydrogen 3.027 N/A PHE 76.A N MET 72.A O no hydrogen 3.022 N/A ILE 77.A N PRO 73.A O no hydrogen 3.155 N/A LYS 78.A N PRO 74.A O no hydrogen 3.114 N/A LYS 78.A NZ SER 115.A OG no hydrogen 2.767 N/A LYS 78.A NZ ASP 119.A OD2 no hydrogen 2.795 N/A VAL 79.A N ALA 75.A O no hydrogen 3.089 N/A GLU 80.A N PHE 76.A O no hydrogen 3.038 N/A ASN 81.A N ILE 77.A O no hydrogen 2.788 N/A ALA 82.A N LYS 78.A O no hydrogen 3.043 N/A CYS 83.A N VAL 79.A O no hydrogen 2.980 N/A THR 84.A N GLU 80.A O no hydrogen 3.002 N/A THR 84.A OG1 GLU 80.A O no hydrogen 3.049 N/A LYS 85.A N ASN 81.A O no hydrogen 3.380 N/A LEU 86.A N ALA 82.A O no hydrogen 3.208 N/A VAL 87.A N CYS 83.A O no hydrogen 2.944 N/A GLN 88.A N THR 84.A O no hydrogen 2.970 N/A ALA 89.A N LYS 85.A O no hydrogen 2.804 N/A ALA 90.A N LEU 86.A O no hydrogen 3.106 N/A GLN 91.A N VAL 87.A O no hydrogen 3.265 N/A MET 92.A N GLN 88.A O no hydrogen 2.933 N/A LEU 93.A N ALA 89.A O no hydrogen 2.944 N/A GLN 94.A N GLN 91.A O no hydrogen 3.115 N/A SER 95.A N GLN 91.A O no hydrogen 3.425 N/A ASP 96.A N MET 92.A O no hydrogen 2.914 N/A TYR 98.A N ASP 96.A OD1 no hydrogen 3.323 N/A SER 99.A N ASP 96.A O no hydrogen 3.072 N/A ALA 102.A N SER 99.A OG no hydrogen 3.164 N/A ARG 103.A NE VAL 30.A O no hydrogen 2.954 N/A ARG 103.A NH1 PRO 97.A O no hydrogen 2.983 N/A ARG 103.A NH1 SER 99.A O no hydrogen 2.812 N/A ARG 103.A NH2 LYS 33.A O no hydrogen 2.715 N/A ARG 103.A NH2 PRO 97.A O no hydrogen 2.858 N/A ASP 104.A N VAL 100.A O no hydrogen 3.143 N/A TYR 105.A N PRO 101.A O no hydrogen 3.038 N/A LEU 106.A N ALA 102.A O no hydrogen 3.015 N/A ILE 107.A N ARG 103.A O no hydrogen 3.248 N/A ASP 108.A N ASP 104.A O no hydrogen 2.947 N/A GLY 109.A N TYR 105.A O no hydrogen 2.787 N/A SER 110.A N LEU 106.A O no hydrogen 3.049 N/A SER 110.A OG LEU 106.A O no hydrogen 2.828 N/A ARG 111.A N ILE 107.A O no hydrogen 3.035 N/A GLY 112.A N ASP 108.A O no hydrogen 2.890 N/A ILE 113.A N GLY 109.A O no hydrogen 2.931 N/A LEU 114.A N SER 110.A O no hydrogen 3.070 N/A SER 115.A N ARG 111.A O no hydrogen 2.895 N/A GLY 116.A N GLY 112.A O no hydrogen 2.939 N/A THR 117.A N ILE 113.A O no hydrogen 2.930 N/A THR 117.A OG1 ILE 113.A O no hydrogen 2.716 N/A SER 118.A N LEU 114.A O no hydrogen 2.835 N/A ASP 119.A N SER 115.A O no hydrogen 2.945 N/A LEU 120.A N GLY 116.A O no hydrogen 3.034 N/A LEU 121.A N THR 117.A O no hydrogen 3.042 N/A LEU 122.A N SER 118.A O no hydrogen 2.972 N/A THR 123.A N ASP 119.A O no hydrogen 2.849 N/A THR 123.A OG1 ASP 119.A O no hydrogen 2.913 N/A PHE 124.A N LEU 120.A O no hydrogen 2.982 N/A ASP 125.A N LEU 121.A O no hydrogen 2.915 N/A GLU 126.A N LEU 122.A O no hydrogen 2.909 N/A ALA 127.A N THR 123.A O no hydrogen 3.117 N/A GLU 128.A N PHE 124.A O no hydrogen 3.126 N/A VAL 129.A N ASP 125.A O no hydrogen 3.016 N/A ARG 130.A N GLU 126.A O no hydrogen 2.923 N/A ARG 130.A NE ASP 65.A OD1 no hydrogen 3.302 N/A ARG 130.A NE ASP 65.A OD2 no hydrogen 2.770 N/A ARG 130.A NH2 ASP 65.A OD1 no hydrogen 2.762 N/A ARG 130.A NH2 ASP 65.A OD2 no hydrogen 3.188 N/A LYS 131.A N ALA 127.A O no hydrogen 3.124 N/A LYS 131.A NZ GLU 128.A OE1 no hydrogen 3.394 N/A LYS 131.A NZ GLU 128.A OE2 no hydrogen 2.719 N/A ILE 132.A N GLU 128.A O no hydrogen 3.445 N/A ILE 133.A N VAL 129.A O no hydrogen 2.978 N/A ARG 134.A N ARG 130.A O no hydrogen 2.953 N/A VAL 135.A N LYS 131.A O no hydrogen 3.386 N/A CYS 136.A N ILE 132.A O no hydrogen 2.973 N/A CYS 136.A SG ILE 132.A O no hydrogen 3.428 N/A LYS 137.A N ILE 133.A O no hydrogen 2.830 N/A GLY 138.A N ARG 134.A O no hydrogen 3.042 N/A ILE 139.A N VAL 135.A O no hydrogen 3.184 N/A LEU 140.A N CYS 136.A O no hydrogen 3.016 N/A GLU 141.A N LYS 137.A O no hydrogen 2.968 N/A TYR 142.A N GLY 138.A O no hydrogen 2.969 N/A TYR 142.A OH TYR 158.A O no hydrogen 2.712 N/A LEU 143.A N ILE 139.A O no hydrogen 2.807 N/A THR 144.A N LEU 140.A O no hydrogen 3.309 N/A THR 144.A N GLU 141.A O no hydrogen 3.153 N/A THR 144.A OG1 GLU 141.A O no hydrogen 2.525 N/A VAL 145.A N TYR 142.A O no hydrogen 3.115 N/A ALA 146.A N LEU 143.A O no hydrogen 3.284 N/A VAL 148.A N VAL 145.A O no hydrogen 2.973 N/A VAL 149.A N ALA 146.A O no hydrogen 3.126 N/A GLU 150.A N ASP 154.A OD2 no hydrogen 3.199 N/A THR 151.A OG1 GLU 153.A OE1 no hydrogen 3.499 N/A ASP 154.A N THR 151.A OG1 no hydrogen 3.119 N/A LEU 155.A N THR 151.A O no hydrogen 2.963 N/A VAL 156.A N MET 152.A O no hydrogen 3.032 N/A THR 157.A N GLU 153.A O no hydrogen 3.242 N/A THR 157.A OG1 GLU 153.A O no hydrogen 3.091 N/A TYR 158.A N ASP 154.A O no hydrogen 2.886 N/A TYR 158.A OH TYR 142.A O no hydrogen 2.764 N/A THR 159.A N LEU 155.A O no hydrogen 3.019 N/A THR 159.A OG1 LEU 155.A O no hydrogen 2.951 N/A LYS 160.A N VAL 156.A O no hydrogen 3.121 N/A ASN 161.A N THR 157.A O no hydrogen 3.379 N/A ASN 161.A ND2 THR 157.A O no hydrogen 3.120 N/A LEU 162.A N THR 159.A O no hydrogen 3.208 N/A GLY 163.A N THR 159.A O no hydrogen 3.259 N/A MET 166.A N LEU 162.A O no hydrogen 3.216 N/A THR 167.A N GLY 163.A O no hydrogen 3.224 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.839 N/A LYS 168.A N PRO 164.A O no hydrogen 2.871 N/A MET 169.A N GLY 165.A O no hydrogen 2.938 N/A ALA 170.A N MET 166.A O no hydrogen 2.987 N/A LYS 171.A N THR 167.A O no hydrogen 3.109 N/A MET 172.A N LYS 168.A O no hydrogen 3.043 N/A ILE 173.A N MET 169.A O no hydrogen 2.929 N/A ASP 174.A N ALA 170.A O no hydrogen 2.962 N/A GLU 175.A N LYS 171.A O no hydrogen 3.093 N/A ARG 176.A N MET 172.A O no hydrogen 3.074 N/A ARG 176.A NH1 ASP 125.A OD1 no hydrogen 2.792 N/A ARG 176.A NH1 GLU 179.A OE2 no hydrogen 3.418 N/A ARG 176.A NH2 ASP 125.A OD1 no hydrogen 3.449 N/A ARG 176.A NH2 ASP 125.A OD2 no hydrogen 2.746 N/A GLN 177.A N ILE 173.A O no hydrogen 2.845 N/A GLN 178.A NE2 ASP 174.A O no hydrogen 3.062 N/A GLN 178.A NE2 ASP 174.A OD1 no hydrogen 3.230 N/A GLU 179.A N ARG 176.A O no hydrogen 2.945 N/A LEU 180.A N GLN 177.A O no hydrogen 3.321 N/A THR 181.A N HIS 3.A O no hydrogen 3.130 N/A THR 181.A OG1 PHE 2.A O no hydrogen 2.568 N/A GLN 183.A NE2 THR 181.A O no hydrogen 3.562 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.870 N/A HIS 185.A N HIS 182.A ND1 no hydrogen 3.319 N/A HIS 185.A N HIS 182.A O no hydrogen 3.229 N/A ARG 186.A N HIS 182.A O no hydrogen 3.251 N/A ARG 186.A NE GLN 177.A O no hydrogen 2.800 N/A ARG 186.A NE GLN 177.A OE1 no hydrogen 3.072 N/A ARG 186.A NH1 GLN 183.A OE1 no hydrogen 2.919 N/A ARG 186.A NH2 GLN 177.A OE1 no hydrogen 2.812 N/A VAL 187.A N GLN 183.A O no hydrogen 3.181 N/A MET 188.A N GLU 184.A O no hydrogen 3.165 N/A LEU 189.A N HIS 185.A O no hydrogen 2.977 N/A VAL 190.A N ARG 186.A O no hydrogen 3.052 N/A ASN 191.A N VAL 187.A O no hydrogen 2.950 N/A SER 192.A N MET 188.A O no hydrogen 2.964 N/A SER 192.A OG MET 188.A O no hydrogen 3.143 N/A SER 192.A OG GLU 238.A OE1 no hydrogen 2.682 N/A MET 193.A N LEU 189.A O no hydrogen 3.011 N/A ASN 194.A N VAL 190.A O no hydrogen 2.852 N/A THR 195.A N ASN 191.A O no hydrogen 3.055 N/A THR 195.A OG1 ASN 191.A O no hydrogen 3.036 N/A VAL 196.A N SER 192.A O no hydrogen 3.028 N/A LYS 197.A N MET 193.A O no hydrogen 2.889 N/A GLU 198.A N ASN 194.A O no hydrogen 3.028 N/A LEU 199.A N THR 195.A O no hydrogen 2.937 N/A LEU 200.A N VAL 196.A O no hydrogen 3.143 N/A LEU 203.A N LEU 199.A O no hydrogen 2.797 N/A ILE 204.A N LEU 200.A O no hydrogen 3.005 N/A SER 205.A N PRO 201.A O no hydrogen 2.925 N/A ALA 206.A N VAL 202.A O no hydrogen 3.000 N/A MET 207.A N LEU 203.A O no hydrogen 2.927 N/A LYS 208.A N ILE 204.A O no hydrogen 2.994 N/A ILE 209.A N SER 205.A O no hydrogen 3.138 N/A PHE 210.A N ALA 206.A O no hydrogen 2.924 N/A VAL 211.A N MET 207.A O no hydrogen 2.887 N/A THR 212.A N LYS 208.A O no hydrogen 3.029 N/A THR 212.A OG1 LYS 208.A O no hydrogen 3.256 N/A THR 212.A OG1 ILE 209.A O no hydrogen 2.647 N/A THR 213.A N ILE 209.A O no hydrogen 2.769 N/A THR 213.A OG1 ILE 209.A O no hydrogen 3.253 N/A THR 213.A OG1 PHE 210.A O no hydrogen 2.939 N/A LYS 214.A N PHE 210.A O no hydrogen 3.026 N/A ASN 215.A N VAL 211.A O no hydrogen 3.086 N/A SER 216.A N THR 212.A O no hydrogen 2.940 N/A SER 216.A OG THR 212.A O no hydrogen 3.238 N/A SER 216.A OG THR 213.A O no hydrogen 3.073 N/A LYS 217.A N THR 213.A O no hydrogen 2.921 N/A LYS 217.A NZ ASN 215.A O no hydrogen 3.106 N/A ALA 224.A N GLY 220.A O no hydrogen 3.157 N/A LEU 225.A N ILE 221.A O no hydrogen 2.937 N/A LYS 226.A N GLU 222.A O no hydrogen 3.036 N/A ASN 227.A N GLU 223.A O no hydrogen 2.917 N/A ARG 228.A N ALA 224.A O no hydrogen 3.022 N/A ARG 228.A NE ASN 229.A OD1 no hydrogen 3.362 N/A ARG 228.A NH2 ASN 229.A OD1 no hydrogen 3.042 N/A ASN 229.A N LEU 225.A O no hydrogen 2.952 N/A PHE 230.A N LYS 226.A O no hydrogen 3.055 N/A THR 231.A N ASN 227.A O no hydrogen 3.189 N/A THR 231.A OG1 ASN 227.A O no hydrogen 2.909 N/A VAL 232.A N ARG 228.A O no hydrogen 3.016 N/A GLU 233.A N ASN 229.A O no hydrogen 2.803 N/A LYS 234.A N PHE 230.A O no hydrogen 2.927 N/A MET 235.A N THR 231.A O no hydrogen 2.950 N/A SER 236.A N VAL 232.A O no hydrogen 2.897 N/A SER 236.A OG VAL 232.A O no hydrogen 2.766 N/A ALA 237.A N GLU 233.A O no hydrogen 2.961 N/A GLU 238.A N LYS 234.A O no hydrogen 3.100 N/A ILE 239.A N MET 235.A O no hydrogen 2.945 N/A ASN 240.A N SER 236.A O no hydrogen 2.916 N/A GLU 241.A N ALA 237.A O no hydrogen 3.001 N/A ILE 242.A N GLU 238.A O no hydrogen 2.969 N/A ILE 243.A N ILE 239.A O no hydrogen 2.996 N/A ARG 244.A N ASN 240.A O no hydrogen 3.068 N/A VAL 245.A N GLU 241.A O no hydrogen 2.982 N/A LEU 246.A N ILE 242.A O no hydrogen 2.815 N/A GLN 247.A N ILE 243.A O no hydrogen 3.266 N/A GLN 247.A N ARG 244.A O no hydrogen 3.299 N/A GLN 247.A NE2 ILE 243.A O no hydrogen 3.449 N/A LEU 248.A N ARG 244.A O no hydrogen 3.299 N/A LEU 248.A N VAL 245.A O no hydrogen 3.130 N/A