Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xqs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ASP 53.A OD2 no hydrogen 2.458 N/A VAL 4.A N ARG 1.A O no hydrogen 3.098 N/A GLN 6.A N GLY 2.A O no hydrogen 2.905 N/A MET 7.A N GLU 3.A O no hydrogen 2.728 N/A LYS 8.A N VAL 4.A O no hydrogen 2.959 N/A SER 9.A N GLN 6.A O no hydrogen 3.098 N/A CYS 10.A N GLN 6.A O no hydrogen 3.019 N/A CYS 10.A SG GLN 6.A O no hydrogen 3.565 N/A CYS 10.A SG ALA 37.A O no hydrogen 3.491 N/A LEU 11.A N MET 7.A O no hydrogen 2.698 N/A ARG 12.A N LYS 8.A O no hydrogen 2.949 N/A VAL 13.A N SER 9.A O no hydrogen 3.170 N/A LEU 14.A N CYS 10.A O no hydrogen 2.738 N/A SER 15.A N LEU 11.A O no hydrogen 2.812 N/A SER 15.A N ARG 12.A O no hydrogen 3.120 N/A SER 15.A OG LEU 11.A O no hydrogen 3.215 N/A GLN 16.A N ARG 12.A O no hydrogen 3.347 N/A THR 21.A N PRO 19.A O no hydrogen 2.790 N/A THR 21.A OG1 PRO 20.A O no hydrogen 2.434 N/A GLU 26.A N GLY 23.A O no hydrogen 2.994 N/A GLN 27.A N GLU 24.A O no hydrogen 2.659 N/A ALA 28.A N GLU 24.A O no hydrogen 3.042 N/A ASP 30.A N GLU 26.A O no hydrogen 3.385 N/A GLN 31.A N GLN 27.A O no hydrogen 2.826 N/A GLU 33.A N ALA 29.A O no hydrogen 3.017 N/A ARG 34.A N GLN 31.A O no hydrogen 2.648 N/A ARG 34.A NE ASP 30.A OD2 no hydrogen 3.462 N/A ARG 34.A NH1 GLN 16.A O no hydrogen 2.748 N/A ARG 34.A NH1 TYR 67.A OH no hydrogen 2.983 N/A ARG 34.A NH2 GLN 16.A O no hydrogen 3.068 N/A ARG 34.A NH2 PRO 17.A O no hydrogen 3.473 N/A ARG 34.A NH2 ASP 30.A OD1 no hydrogen 2.540 N/A GLU 35.A N GLN 31.A O no hydrogen 2.752 N/A GLY 36.A N GLN 32.A O no hydrogen 2.947 N/A ALA 37.A N GLU 33.A O no hydrogen 3.290 N/A LEU 38.A N ARG 34.A O no hydrogen 2.844 N/A GLU 39.A N GLU 35.A O no hydrogen 2.972 N/A LEU 40.A N GLY 36.A O no hydrogen 2.988 N/A LEU 41.A N ALA 37.A O no hydrogen 3.096 N/A ALA 42.A N LEU 38.A O no hydrogen 3.172 N/A ASP 43.A N GLU 39.A O no hydrogen 3.081 N/A LEU 44.A N LEU 40.A O no hydrogen 3.056 N/A CYS 45.A N LEU 41.A O no hydrogen 2.699 N/A CYS 45.A SG LEU 41.A O no hydrogen 3.065 N/A GLU 46.A N ASP 43.A O no hydrogen 3.457 N/A ASN 50.A N ASN 47.A OD1 no hydrogen 3.472 N/A ASN 50.A ND2 GLU 3.A OE1 no hydrogen 3.358 N/A ALA 51.A N ASN 47.A O no hydrogen 3.151 N/A ALA 52.A N MET 48.A O no hydrogen 2.734 N/A ASP 53.A N ASP 49.A O no hydrogen 2.796 N/A PHE 54.A N ASN 50.A O no hydrogen 2.698 N/A CYS 55.A N ALA 51.A O no hydrogen 3.096 N/A CYS 55.A SG ALA 51.A O no hydrogen 3.733 N/A GLN 56.A N ALA 52.A O no hydrogen 3.178 N/A LEU 57.A N ASP 53.A O no hydrogen 3.136 N/A SER 58.A N CYS 55.A O no hydrogen 3.083 N/A GLY 59.A N PHE 54.A O no hydrogen 3.005 N/A HIS 61.A N SER 58.A O no hydrogen 3.211 N/A LEU 62.A N SER 58.A O no hydrogen 3.511 N/A LEU 63.A N GLY 59.A O no hydrogen 3.212 N/A VAL 64.A N MET 60.A O no hydrogen 3.195 N/A GLY 65.A N HIS 61.A O no hydrogen 3.323 N/A ARG 66.A NH1 SER 15.A O no hydrogen 3.002 N/A TYR 67.A N LEU 62.A O no hydrogen 3.324 N/A TYR 67.A N LEU 63.A O no hydrogen 3.253 N/A TYR 67.A OH LEU 14.A O no hydrogen 2.804 N/A LEU 68.A N LEU 63.A O no hydrogen 2.964 N/A ALA 70.A N TYR 67.A O no hydrogen 2.591 N/A LEU 75.A N ALA 72.A O no hydrogen 2.856 N/A ARG 76.A N ALA 72.A O no hydrogen 3.026 N/A ARG 76.A NH1 ASP 113.A OD1 no hydrogen 2.819 N/A ARG 76.A NH2 GLY 71.A O no hydrogen 3.102 N/A TRP 77.A N ALA 73.A O no hydrogen 2.980 N/A ARG 78.A NE GLU 39.A OE2 no hydrogen 2.746 N/A ARG 78.A NH1 GLY 74.A O no hydrogen 3.024 N/A ARG 78.A NH2 GLU 39.A OE2 no hydrogen 3.218 N/A ALA 79.A N LEU 75.A O no hydrogen 3.118 N/A ALA 80.A N ARG 76.A O no hydrogen 2.897 N/A GLN 81.A N TRP 77.A O no hydrogen 2.785 N/A LEU 82.A N ARG 78.A O no hydrogen 2.977 N/A ILE 83.A N ALA 79.A O no hydrogen 2.818 N/A GLY 84.A N ALA 80.A O no hydrogen 2.762 N/A THR 85.A N GLN 81.A O no hydrogen 2.816 N/A THR 85.A OG1 GLN 81.A O no hydrogen 2.898 N/A CYS 86.A N LEU 82.A O no hydrogen 3.038 N/A CYS 86.A SG LEU 82.A O no hydrogen 3.472 N/A SER 87.A N ILE 83.A O no hydrogen 3.381 N/A SER 87.A OG ILE 83.A O no hydrogen 2.682 N/A GLN 88.A N GLY 84.A O no hydrogen 3.058 N/A VAL 90.A N SER 87.A O no hydrogen 2.832 N/A GLN 94.A N VAL 90.A O no hydrogen 2.978 N/A GLN 94.A NE2 CYS 128.A O no hydrogen 2.990 N/A GLU 95.A N ALA 91.A O no hydrogen 2.780 N/A GLN 96.A N ALA 92.A O no hydrogen 3.264 N/A VAL 97.A N ILE 93.A O no hydrogen 3.204 N/A LEU 98.A N GLN 94.A O no hydrogen 2.747 N/A GLY 99.A N GLU 95.A O no hydrogen 2.755 N/A LEU 100.A N GLN 96.A O no hydrogen 3.198 N/A LEU 100.A N VAL 97.A O no hydrogen 3.235 N/A GLY 101.A N LEU 98.A O no hydrogen 2.813 N/A LYS 105.A NZ GLU 69.A OE1 no hydrogen 2.718 N/A LYS 105.A NZ GLU 69.A OE2 no hydrogen 3.447 N/A LEU 106.A N ALA 102.A O no hydrogen 2.632 N/A LEU 107.A N LEU 103.A O no hydrogen 2.823 N/A ARG 108.A N ARG 104.A O no hydrogen 3.162 N/A ARG 108.A NH1 GLU 69.A OE1 no hydrogen 3.372 N/A LEU 109.A N LYS 105.A O no hydrogen 2.999 N/A LEU 110.A N LEU 106.A O no hydrogen 2.845 N/A ASP 111.A N LEU 107.A O no hydrogen 3.041 N/A ARG 112.A N ARG 108.A O no hydrogen 3.044 N/A ARG 112.A N LEU 109.A O no hydrogen 3.321 N/A CYS 115.A N ASP 113.A OD1 no hydrogen 2.864 N/A ARG 119.A N CYS 115.A O no hydrogen 3.217 N/A VAL 120.A N ASP 116.A O no hydrogen 2.989 N/A LYS 121.A N THR 117.A O no hydrogen 2.890 N/A LYS 121.A NZ GLN 81.A OE1 no hydrogen 2.761 N/A ALA 122.A N VAL 118.A O no hydrogen 2.866 N/A LEU 123.A N ARG 119.A O no hydrogen 3.065 N/A PHE 124.A N VAL 120.A O no hydrogen 3.072 N/A ALA 125.A N LYS 121.A O no hydrogen 2.891 N/A ILE 126.A N ALA 122.A O no hydrogen 2.837 N/A SER 127.A N LEU 123.A O no hydrogen 2.854 N/A CYS 128.A N PHE 124.A O no hydrogen 3.003 N/A CYS 128.A SG GLY 84.A O no hydrogen 3.771 N/A CYS 128.A SG PHE 124.A O no hydrogen 3.241 N/A LEU 129.A N ILE 126.A O no hydrogen 2.924 N/A VAL 130.A N ILE 126.A O no hydrogen 3.017 N/A ARG 131.A N SER 127.A O no hydrogen 3.088 N/A ARG 131.A NH1 SER 127.A OG no hydrogen 3.100 N/A GLN 133.A N VAL 130.A O no hydrogen 3.258 N/A LEU 137.A N GLN 133.A O no hydrogen 2.989 N/A LEU 138.A N GLU 134.A O no hydrogen 3.154 N/A GLN 139.A N ALA 135.A O no hydrogen 3.253 N/A PHE 140.A N GLY 136.A O no hydrogen 3.063 N/A LEU 141.A N LEU 137.A O no hydrogen 2.924 N/A ARG 142.A N LEU 138.A O no hydrogen 2.909 N/A LEU 143.A N PHE 140.A O no hydrogen 2.843 N/A ASP 144.A N LEU 141.A O no hydrogen 2.842 N/A GLY 145.A N PHE 140.A O no hydrogen 2.858 N/A SER 147.A N ASP 144.A O no hydrogen 2.864 N/A SER 147.A OG ASP 144.A OD2 no hydrogen 3.237 N/A VAL 148.A N ASP 144.A O no hydrogen 3.255 N/A LEU 149.A N GLY 145.A O no hydrogen 2.926 N/A MET 150.A N PHE 146.A O no hydrogen 3.297 N/A ARG 151.A N SER 147.A O no hydrogen 3.222 N/A ARG 151.A NE ASP 111.A OD1 no hydrogen 3.078 N/A ARG 151.A NE ASP 111.A OD2 no hydrogen 3.225 N/A ARG 151.A NH2 ASP 111.A OD2 no hydrogen 3.089 N/A ALA 152.A N VAL 148.A O no hydrogen 3.291 N/A ALA 152.A N LEU 149.A O no hydrogen 2.500 N/A MET 153.A N LEU 149.A O no hydrogen 3.208 N/A GLN 154.A N MET 150.A O no hydrogen 3.104 N/A GLN 155.A N ALA 152.A O no hydrogen 2.753 N/A LEU 160.A N VAL 157.A O no hydrogen 2.846 N/A LYS 161.A N VAL 157.A O no hydrogen 3.115 N/A LYS 161.A NZ MET 153.A O no hydrogen 3.469 N/A LYS 161.A NZ GLN 155.A O no hydrogen 2.382 N/A VAL 162.A N GLN 158.A O no hydrogen 2.902 N/A LYS 163.A N LYS 159.A O no hydrogen 2.892 N/A SER 164.A N LEU 160.A O no hydrogen 2.867 N/A SER 164.A OG LEU 160.A O no hydrogen 2.584 N/A ALA 165.A N LYS 161.A O no hydrogen 3.020 N/A PHE 166.A N VAL 162.A O no hydrogen 2.793 N/A LEU 167.A N LYS 163.A O no hydrogen 3.171 N/A LEU 168.A N SER 164.A O no hydrogen 3.031 N/A GLN 169.A N ALA 165.A O no hydrogen 2.961 N/A GLN 169.A NE2 HIS 205.A ND1 no hydrogen 2.753 N/A ASN 170.A N PHE 166.A O no hydrogen 3.270 N/A ASN 170.A ND2 GLU 132.A OE2 no hydrogen 3.149 N/A LEU 171.A N LEU 167.A O no hydrogen 2.846 N/A LEU 172.A N LEU 168.A O no hydrogen 2.848 N/A VAL 173.A N GLN 169.A O no hydrogen 3.279 N/A VAL 173.A N ASN 170.A O no hydrogen 2.863 N/A GLY 174.A N ASN 170.A O no hydrogen 3.410 N/A HIS 175.A N LEU 171.A O no hydrogen 3.121 N/A HIS 175.A NE2 GLU 134.A OE1 no hydrogen 2.878 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 3.016 N/A HIS 178.A N HIS 175.A O no hydrogen 3.238 N/A LYS 179.A N PRO 176.A O no hydrogen 3.204 N/A LYS 179.A NZ SER 212.A O no hydrogen 2.962 N/A LYS 179.A NZ THR 215.A O no hydrogen 2.434 N/A LEU 182.A N HIS 178.A O no hydrogen 3.192 N/A LEU 182.A N LYS 179.A O no hydrogen 3.077 N/A CYS 183.A N LYS 179.A O no hydrogen 2.982 N/A CYS 183.A SG LYS 179.A O no hydrogen 3.560 N/A SER 184.A N GLY 180.A O no hydrogen 3.111 N/A SER 184.A OG GLY 180.A O no hydrogen 3.324 N/A MET 185.A N LEU 182.A O no hydrogen 2.942 N/A GLY 186.A N CYS 183.A O no hydrogen 2.651 N/A MET 187.A N LEU 182.A O no hydrogen 3.235 N/A GLN 189.A NE2 GLU 223.A OE2 no hydrogen 3.453 N/A GLN 190.A N GLY 186.A O no hydrogen 3.336 N/A LEU 191.A N MET 187.A O no hydrogen 2.751 N/A VAL 192.A N VAL 188.A O no hydrogen 2.929 N/A ALA 193.A N GLN 189.A O no hydrogen 2.954 N/A LEU 194.A N GLN 190.A O no hydrogen 3.239 N/A LEU 194.A N LEU 191.A O no hydrogen 2.921 N/A VAL 195.A N LEU 191.A O no hydrogen 3.172 N/A VAL 195.A N VAL 192.A O no hydrogen 3.136 N/A ARG 196.A N VAL 192.A O no hydrogen 3.273 N/A ARG 196.A NH2 LEU 229.A O no hydrogen 2.571 N/A THR 197.A N LEU 194.A O no hydrogen 3.296 N/A THR 197.A OG1 LEU 194.A O no hydrogen 2.546 N/A HIS 199.A NE2 GLU 251.A OE1 no hydrogen 2.462 N/A HIS 203.A N SER 200.A O no hydrogen 3.176 N/A GLU 204.A N PRO 201.A O no hydrogen 2.977 N/A HIS 205.A N PHE 202.A O no hydrogen 2.706 N/A VAL 206.A N PHE 202.A O no hydrogen 3.319 N/A LEU 207.A N HIS 203.A O no hydrogen 2.912 N/A GLY 208.A N GLU 204.A O no hydrogen 2.872 N/A ALA 209.A N HIS 205.A O no hydrogen 2.826 N/A LEU 210.A N VAL 206.A O no hydrogen 2.960 N/A CYS 211.A N LEU 207.A O no hydrogen 2.829 N/A SER 212.A N ALA 209.A O no hydrogen 2.573 N/A LEU 213.A N ALA 209.A O no hydrogen 2.996 N/A VAL 214.A N LEU 210.A O no hydrogen 3.300 N/A THR 215.A N CYS 211.A O no hydrogen 3.309 N/A THR 215.A N SER 212.A O no hydrogen 3.138 N/A THR 215.A OG1 CYS 211.A O no hydrogen 2.706 N/A GLN 219.A NE2 SER 184.A OG no hydrogen 2.741 N/A GLY 220.A N PHE 217.A O no hydrogen 2.840 N/A VAL 221.A N PHE 217.A O no hydrogen 3.145 N/A ARG 222.A N PRO 218.A O no hydrogen 2.794 N/A GLU 223.A N GLN 219.A O no hydrogen 3.037 N/A CYS 224.A N GLY 220.A O no hydrogen 3.098 N/A CYS 224.A SG GLY 220.A O no hydrogen 3.609 N/A ARG 225.A N VAL 221.A O no hydrogen 3.148 N/A ARG 225.A N ARG 222.A O no hydrogen 3.129 N/A ARG 225.A NE CYS 262.A O no hydrogen 3.252 N/A LEU 234.A N GLY 230.A O no hydrogen 3.319 N/A LEU 235.A N LEU 231.A O no hydrogen 2.961 N/A ARG 236.A N GLU 232.A O no hydrogen 3.118 N/A ARG 236.A NH2 GLU 232.A OE2 no hydrogen 3.077 N/A HIS 237.A N GLU 233.A O no hydrogen 3.221 N/A ARG 238.A N LEU 234.A O no hydrogen 3.146 N/A ARG 238.A NH1 GLU 251.A OE2 no hydrogen 2.827 N/A ARG 238.A NH2 VAL 195.A O no hydrogen 3.377 N/A CYS 239.A N LEU 235.A O no hydrogen 2.825 N/A GLN 240.A N ARG 236.A O no hydrogen 3.173 N/A LEU 241.A N ARG 238.A O no hydrogen 2.547 N/A LEU 242.A N ARG 238.A O no hydrogen 3.125 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.377 N/A GLN 249.A N GLU 246.A O no hydrogen 3.352 N/A GLN 249.A NE2 GLU 246.A O no hydrogen 2.849 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.725 N/A GLU 251.A N TYR 248.A O no hydrogen 2.895 N/A LEU 252.A N TYR 248.A O no hydrogen 3.090 N/A GLU 253.A N GLN 249.A O no hydrogen 3.004 N/A PHE 254.A N GLU 250.A O no hydrogen 3.196 N/A CYS 255.A N GLU 251.A O no hydrogen 2.521 N/A CYS 255.A SG LEU 235.A O no hydrogen 3.256 N/A GLU 256.A N LEU 252.A O no hydrogen 3.026 N/A LYS 257.A N GLU 253.A O no hydrogen 2.995 N/A LEU 258.A N PHE 254.A O no hydrogen 2.964 N/A LEU 259.A N CYS 255.A O no hydrogen 3.433 N/A GLN 260.A N GLU 256.A O no hydrogen 2.874 N/A THR 261.A N LEU 258.A O no hydrogen 2.807 N/A THR 261.A OG1 LYS 257.A O no hydrogen 3.564 N/A THR 261.A OG1 LEU 258.A O no hydrogen 3.545 N/A CYS 262.A N LEU 258.A O no hydrogen 3.091 N/A CYS 262.A N LEU 259.A O no hydrogen 3.190 N/A SER 264.A OG GLN 260.A O no hydrogen 3.404 N/A