Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qis_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASN 30.A OD1 no hydrogen 3.002 N/A LEU 3.A N TYR 105.A OH no hydrogen 2.912 N/A GLU 4.A N SER 28.A O no hydrogen 2.745 N/A SER 6.A N GLN 26.A O no hydrogen 2.985 N/A ARG 7.A NE LYS 24.A O no hydrogen 3.252 N/A ARG 7.A NH1 GLU 23.A OE1 no hydrogen 3.044 N/A ARG 7.A NH2 GLU 23.A OE1 no hydrogen 2.695 N/A ARG 7.A NH2 LYS 24.A O no hydrogen 2.781 N/A ARG 8.A NH1 LEU 5.A O no hydrogen 3.564 N/A PHE 10.A N THR 108.A O no hydrogen 3.042 N/A PHE 12.A N SER 110.A O no hydrogen 2.762 N/A ASN 14.A N ASN 112.A OD1 no hydrogen 2.935 N/A VAL 15.A N ASN 112.A O no hydrogen 2.729 N/A LYS 16.A NZ ASP 175.A OD1 no hydrogen 2.905 N/A LYS 16.A NZ ASP 175.A OD2 no hydrogen 3.186 N/A ARG 18.A N VAL 76.A O no hydrogen 2.747 N/A GLN 19.A N LYS 16.A O no hydrogen 3.219 N/A GLN 19.A NE2 ASP 175.A OD1 no hydrogen 3.180 N/A GLN 21.A N VAL 74.A O no hydrogen 3.012 N/A GLN 21.A NE2 GLU 13.A O no hydrogen 3.060 N/A GLU 23.A N LEU 72.A O no hydrogen 2.875 N/A LYS 24.A NZ SER 71.A OG no hydrogen 3.122 N/A PHE 25.A N ILE 70.A O no hydrogen 2.894 N/A GLN 26.A N SER 6.A OG no hydrogen 2.897 N/A ILE 27.A N VAL 68.A O no hydrogen 2.769 N/A SER 28.A N GLU 4.A O no hydrogen 2.845 N/A ASN 29.A N GLU 66.A O no hydrogen 3.311 N/A ASN 29.A ND2 VAL 33.A O no hydrogen 3.066 N/A ASN 29.A ND2 LEU 62.A O no hydrogen 2.785 N/A GLY 31.A N ASN 29.A OD1 no hydrogen 2.761 N/A CYS 35.A N LEU 62.A O no hydrogen 3.019 N/A CYS 35.A SG LEU 62.A O no hydrogen 3.947 N/A HIS 36.A ND1 ASP 100.A OD1 no hydrogen 2.757 N/A PHE 37.A N GLY 60.A O no hydrogen 2.992 N/A SER 38.A N HIS 98.A O no hydrogen 2.846 N/A PHE 39.A N PHE 58.A O no hydrogen 2.937 N/A ILE 40.A N VAL 96.A O no hydrogen 2.980 N/A LYS 42.A NZ TYR 48.A O no hydrogen 3.279 N/A ASP 45.A N LYS 42.A O no hydrogen 2.952 N/A CYS 49.A SG LYS 50.A O no hydrogen 3.453 N/A CYS 49.A SG LEU 53.A O no hydrogen 3.156 N/A LYS 50.A N ASP 93.A OD2 no hydrogen 3.176 N/A LYS 50.A NZ ASP 89.A OD1 no hydrogen 2.778 N/A LYS 50.A NZ GLU 92.A O no hydrogen 2.991 N/A TRP 52.A NE1 ASP 89.A OD2 no hydrogen 3.000 N/A LEU 53.A N LYS 50.A O no hydrogen 2.989 N/A ARG 54.A N ASP 73.A O no hydrogen 2.876 N/A ALA 55.A N TYR 48.A OH no hydrogen 2.819 N/A GLU 56.A N SER 71.A O no hydrogen 2.808 N/A GLY 60.A N PHE 37.A O no hydrogen 2.843 N/A LEU 62.A N CYS 35.A O no hydrogen 3.047 N/A GLU 63.A N GLU 66.A OE2 no hydrogen 2.874 N/A GLU 66.A N GLU 63.A O no hydrogen 2.762 N/A THR 67.A OG1 GLN 26.A OE1 no hydrogen 3.409 N/A VAL 68.A N ILE 27.A O no hydrogen 2.761 N/A ILE 70.A N PHE 25.A O no hydrogen 2.639 N/A SER 71.A N GLU 56.A O no hydrogen 2.755 N/A SER 71.A OG ASP 73.A OD2 no hydrogen 2.532 N/A LEU 72.A N GLU 23.A O no hydrogen 2.864 N/A ASP 73.A N ARG 54.A O no hydrogen 2.771 N/A VAL 74.A N GLN 21.A O no hydrogen 2.903 N/A TYR 75.A N TRP 52.A O no hydrogen 2.733 N/A SER 77.A OG ASP 79.A OD1 no hydrogen 3.343 N/A ASP 79.A N SER 77.A OG no hydrogen 3.238 N/A SER 80.A N SER 77.A O no hydrogen 3.066 N/A VAL 81.A N SER 77.A O no hydrogen 3.064 N/A THR 82.A OG1 GLY 119.A O no hydrogen 2.588 N/A LEU 84.A N SER 80.A O no hydrogen 3.135 N/A ASN 85.A N VAL 81.A O no hydrogen 2.753 N/A ASN 85.A ND2 PHE 118.A O no hydrogen 2.927 N/A SER 86.A N THR 82.A O no hydrogen 2.877 N/A SER 86.A OG THR 82.A O no hydrogen 2.766 N/A ASP 89.A N ILE 83.A O no hydrogen 3.111 N/A LYS 90.A N ASP 89.A OD1 no hydrogen 2.635 N/A GLU 92.A N LYS 90.A O no hydrogen 2.703 N/A ASP 93.A N ILE 109.A O no hydrogen 2.955 N/A ILE 94.A N ASP 93.A OD1 no hydrogen 2.660 N/A LEU 95.A N LEU 107.A O no hydrogen 2.818 N/A LEU 97.A N TYR 105.A O no hydrogen 2.874 N/A HIS 98.A N SER 38.A O no hydrogen 2.756 N/A HIS 98.A ND1 ASP 104.A OD1 no hydrogen 2.808 N/A LEU 99.A N LYS 103.A O no hydrogen 3.152 N/A ASP 100.A N HIS 36.A O no hydrogen 2.726 N/A TYR 105.A N LEU 97.A O no hydrogen 2.761 N/A LEU 107.A N LEU 95.A O no hydrogen 2.855 N/A THR 108.A N ARG 8.A O no hydrogen 2.944 N/A THR 108.A OG1 GLU 9.A OE2 no hydrogen 3.546 N/A ILE 109.A N ASP 93.A O no hydrogen 2.814 N/A SER 110.A N PHE 10.A O no hydrogen 3.028 N/A ASN 112.A N PHE 12.A O no hydrogen 3.125 N/A ASN 112.A ND2 ASN 14.A OD1 no hydrogen 3.159 N/A TYR 113.A OH ASN 85.A OD1 no hydrogen 2.826 N/A LEU 114.A N VAL 15.A O no hydrogen 2.793 N/A SER 116.A N ASN 85.A OD1 no hydrogen 2.928 N/A SER 116.A OG ASP 178.A OD1 no hydrogen 2.927 N/A SER 116.A OG ASP 178.A OD2 no hydrogen 3.166 N/A CYS 117.A N ASP 178.A OD1 no hydrogen 2.796 N/A CYS 117.A SG ASP 178.A OD1 no hydrogen 3.296 N/A PHE 118.A N SER 116.A OG no hydrogen 3.037 N/A THR 120.A N CYS 117.A O no hydrogen 3.390 N/A THR 120.A OG1 SER 116.A O no hydrogen 2.819 N/A ALA 124.A N SER 121.A OG no hydrogen 3.287 N/A LEU 125.A N SER 121.A O no hydrogen 3.017 N/A CYS 126.A N LEU 122.A O no hydrogen 2.937 N/A CYS 126.A SG LEU 122.A O no hydrogen 3.429 N/A CYS 126.A SG LEU 137.A O no hydrogen 3.504 N/A ARG 127.A N ALA 124.A O no hydrogen 2.994 N/A MET 128.A N LEU 125.A O no hydrogen 3.105 N/A LYS 129.A NZ ARG 135.A O no hydrogen 2.759 N/A ARG 130.A NE GLU 134.A OE1 no hydrogen 3.321 N/A ARG 130.A NE GLU 134.A OE2 no hydrogen 3.186 N/A ARG 130.A NH1 GLU 134.A OE2 no hydrogen 2.751 N/A ARG 133.A N ASP 178.A O no hydrogen 2.797 N/A ARG 133.A NE PRO 115.A O no hydrogen 2.807 N/A ARG 133.A NH2 ASP 178.A OD2 no hydrogen 3.282 N/A GLU 134.A N PRO 131.A O no hydrogen 3.333 N/A LEU 137.A N CYS 126.A O no hydrogen 2.852 N/A LYS 141.A NZ MET 128.A O no hydrogen 2.962 N/A LYS 141.A NZ ARG 130.A O no hydrogen 2.974 N/A LYS 141.A NZ GLU 142.A OE2 no hydrogen 2.751 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.842 N/A TRP 144.A N PRO 140.A O no hydrogen 3.085 N/A LEU 145.A N LYS 141.A O no hydrogen 2.817 N/A LEU 146.A N GLU 142.A O no hydrogen 3.203 N/A VAL 147.A N ILE 143.A O no hydrogen 2.959 N/A ASP 148.A N TRP 144.A O no hydrogen 2.681 N/A HIS 149.A N LEU 145.A O no hydrogen 3.045 N/A LEU 150.A N LEU 146.A O no hydrogen 3.114 N/A PHE 151.A N VAL 147.A O no hydrogen 2.826 N/A LYS 152.A N ASP 148.A O no hydrogen 3.094 N/A LYS 152.A NZ TYR 153.A OH no hydrogen 3.216 N/A TYR 153.A N HIS 149.A O no hydrogen 2.954 N/A ALA 154.A N LEU 150.A O no hydrogen 2.732 N/A CYS 155.A SG PHE 151.A O no hydrogen 3.426 N/A GLN 157.A N ALA 154.A O no hydrogen 2.998 N/A GLN 157.A NE2 GLU 158.A O no hydrogen 2.946 N/A LEU 160.A N GLN 157.A O no hydrogen 3.270 N/A GLN 162.A N ASP 159.A O no hydrogen 2.989 N/A GLN 162.A NE2 LEU 160.A O no hydrogen 3.055 N/A GLN 162.A NE2 ASN 258.A O no hydrogen 3.553 N/A GLN 162.A NE2 SER 259.A O no hydrogen 3.436 N/A GLY 165.A N GLU 194.A OE1 no hydrogen 2.641 N/A MET 166.A N SER 191.A OG no hydrogen 2.999 N/A LEU 170.A N MET 166.A O no hydrogen 2.852 N/A GLN 171.A N GLN 167.A O no hydrogen 3.210 N/A GLN 171.A NE2 ARG 18.A O no hydrogen 3.406 N/A GLN 172.A N GLU 168.A O no hydrogen 3.003 N/A ILE 173.A N GLU 169.A O no hydrogen 2.770 N/A ILE 174.A N LEU 170.A O no hydrogen 2.917 N/A ASP 175.A N GLN 171.A O no hydrogen 2.926 N/A CYS 176.A N GLN 172.A O no hydrogen 2.834 N/A CYS 176.A SG SER 180.A OG no hydrogen 3.642 N/A LEU 177.A N ILE 173.A O no hydrogen 2.912 N/A ASP 178.A N ILE 174.A O no hydrogen 2.825 N/A THR 179.A N ASP 175.A O no hydrogen 3.074 N/A THR 179.A N CYS 176.A O no hydrogen 3.284 N/A THR 179.A OG1 ASP 175.A O no hydrogen 3.014 N/A SER 180.A N CYS 176.A O no hydrogen 2.837 N/A SER 180.A OG CYS 176.A O no hydrogen 2.831 N/A SER 188.A N GLU 169.A OE1 no hydrogen 3.168 N/A SER 188.A OG GLU 169.A OE1 no hydrogen 3.305 N/A SER 188.A OG SER 191.A OG no hydrogen 3.272 N/A ASN 189.A ND2 TYR 153.A O no hydrogen 3.380 N/A ASN 189.A ND2 GLN 157.A OE1 no hydrogen 2.900 N/A SER 191.A N SER 188.A OG no hydrogen 3.228 N/A SER 191.A OG GLU 169.A OE1 no hydrogen 2.366 N/A SER 191.A OG SER 188.A OG no hydrogen 3.272 N/A VAL 192.A N SER 188.A O no hydrogen 3.078 N/A ALA 193.A N ASN 189.A O no hydrogen 2.854 N/A GLU 194.A N HIS 190.A O no hydrogen 3.019 N/A ALA 195.A N SER 191.A O no hydrogen 2.835 N/A LEU 196.A N VAL 192.A O no hydrogen 3.068 N/A LEU 197.A N ALA 193.A O no hydrogen 3.244 N/A ILE 198.A N GLU 194.A O no hydrogen 2.865 N/A PHE 199.A N ALA 195.A O no hydrogen 2.807 N/A LEU 200.A N LEU 196.A O no hydrogen 2.999 N/A GLU 201.A N LEU 197.A O no hydrogen 2.994 N/A ALA 202.A N ILE 198.A O no hydrogen 2.829 N/A ALA 202.A N PHE 199.A O no hydrogen 3.178 N/A LEU 203.A N LEU 200.A O no hydrogen 3.402 N/A ILE 208.A N LEU 273.A O no hydrogen 2.963 N/A TYR 210.A N GLU 205.A OE2 no hydrogen 3.230 N/A LEU 212.A N CYS 209.A O no hydrogen 3.299 N/A TYR 213.A N TYR 210.A O no hydrogen 3.090 N/A GLN 214.A NE2 GLN 214.A O no hydrogen 3.126 N/A GLN 214.A NE2 ASP 218.A OD2 no hydrogen 2.957 N/A CYS 216.A N LEU 212.A O no hydrogen 2.926 N/A CYS 216.A SG LEU 212.A O no hydrogen 3.353 N/A LEU 217.A N TYR 213.A O no hydrogen 3.260 N/A ASP 218.A N GLN 214.A O no hydrogen 3.147 N/A SER 219.A N ARG 215.A O no hydrogen 2.925 N/A ALA 220.A N LEU 217.A O no hydrogen 3.107 N/A ASP 222.A N SER 219.A O no hydrogen 2.895 N/A ILE 225.A N ASP 222.A O no hydrogen 2.687 N/A CYS 226.A N ASP 222.A O no hydrogen 2.814 N/A CYS 226.A SG SER 219.A O no hydrogen 3.198 N/A CYS 226.A SG SER 219.A OG no hydrogen 3.468 N/A CYS 226.A SG ASP 222.A O no hydrogen 3.721 N/A ARG 227.A N PRO 223.A O no hydrogen 3.242 N/A GLN 228.A N ILE 225.A O no hydrogen 3.231 N/A VAL 229.A N ILE 225.A O no hydrogen 3.087 N/A ILE 230.A N CYS 226.A O no hydrogen 3.160 N/A SER 231.A N ARG 227.A O no hydrogen 3.140 N/A GLN 232.A N VAL 229.A O no hydrogen 3.079 N/A LEU 233.A N ILE 230.A O no hydrogen 3.200 N/A HIS 237.A ND1 VAL 207.A O no hydrogen 2.770 N/A ARG 238.A N PRO 234.A O no hydrogen 2.985 N/A ARG 238.A NH1 LEU 233.A O no hydrogen 3.287 N/A ASN 239.A N ARG 235.A O no hydrogen 2.897 N/A ASN 239.A ND2 GLN 138.A O no hydrogen 3.195 N/A VAL 240.A N CYS 236.A O no hydrogen 3.069 N/A PHE 241.A N HIS 237.A O no hydrogen 2.925 N/A ARG 242.A N ARG 238.A O no hydrogen 2.997 N/A TYR 243.A N ASN 239.A O no hydrogen 2.812 N/A LEU 244.A N VAL 240.A O no hydrogen 2.925 N/A MET 245.A N PHE 241.A O no hydrogen 2.958 N/A ALA 246.A N ARG 242.A O no hydrogen 2.954 N/A PHE 247.A N TYR 243.A O no hydrogen 2.928 N/A LEU 248.A N LEU 244.A O no hydrogen 2.810 N/A ARG 249.A N MET 245.A O no hydrogen 3.025 N/A ARG 249.A NH1 PHE 291.A O no hydrogen 3.015 N/A GLU 250.A N ALA 246.A O no hydrogen 2.984 N/A LEU 251.A N PHE 247.A O no hydrogen 2.982 N/A LEU 252.A N LEU 248.A O no hydrogen 3.024 N/A LYS 253.A N GLU 250.A O no hydrogen 3.243 N/A LYS 253.A NZ GLU 250.A OE1 no hydrogen 3.176 N/A LYS 253.A NZ GLU 250.A OE2 no hydrogen 2.973 N/A PHE 254.A N LEU 251.A O no hydrogen 2.982 N/A SER 255.A N LEU 252.A O no hydrogen 3.292 N/A SER 255.A OG LEU 252.A O no hydrogen 3.239 N/A TYR 257.A N PHE 254.A O no hydrogen 2.755 N/A ASN 258.A N PHE 254.A O no hydrogen 3.016 N/A ASN 258.A ND2 CYS 155.A O no hydrogen 2.795 N/A ASN 258.A ND2 LEU 251.A O no hydrogen 3.134 N/A SER 259.A N SER 255.A O no hydrogen 2.783 N/A VAL 260.A N ASN 258.A OD1 no hydrogen 3.013 N/A ASN 261.A ND2 SER 259.A O no hydrogen 3.381 N/A MET 264.A N ASN 261.A OD1 no hydrogen 3.011 N/A ILE 265.A N ASN 261.A O no hydrogen 3.036 N/A ALA 266.A N ALA 262.A O no hydrogen 2.914 N/A THR 267.A N ASN 263.A O no hydrogen 3.079 N/A THR 267.A OG1 MET 264.A O no hydrogen 3.262 N/A LEU 268.A N MET 264.A O no hydrogen 2.812 N/A PHE 269.A N ILE 265.A O no hydrogen 2.814 N/A THR 270.A N ALA 266.A O no hydrogen 3.067 N/A THR 270.A OG1 ALA 266.A O no hydrogen 2.565 N/A LEU 272.A N PHE 269.A O no hydrogen 2.944 N/A LEU 273.A N PHE 269.A O no hydrogen 2.863 N/A LEU 274.A N THR 270.A O no hydrogen 2.827 N/A ARG 275.A NH1 LEU 200.A O no hydrogen 3.203 N/A ARG 275.A NH2 LEU 200.A O no hydrogen 3.285 N/A ARG 275.A NH2 LEU 203.A O no hydrogen 2.730 N/A GLN 282.A N SER 279.A O no hydrogen 3.185 N/A ARG 283.A N SER 279.A O no hydrogen 3.345 N/A ARG 283.A NE LEU 217.A O no hydrogen 2.782 N/A ARG 283.A NH2 LEU 217.A O no hydrogen 3.559 N/A ARG 283.A NH2 ASP 218.A O no hydrogen 3.216 N/A ALA 284.A N ASP 280.A O no hydrogen 2.827 N/A ILE 285.A N ARG 281.A O no hydrogen 3.149 N/A GLN 286.A N GLN 282.A O no hydrogen 2.938 N/A GLN 286.A NE2 ALA 220.A O no hydrogen 3.578 N/A PHE 287.A N ARG 283.A O no hydrogen 2.730 N/A LEU 288.A N ALA 284.A O no hydrogen 2.929 N/A LEU 289.A N ILE 285.A O no hydrogen 2.744 N/A GLY 290.A N GLN 286.A O no hydrogen 2.983 N/A PHE 291.A N LEU 288.A O no hydrogen 2.836 N/A LEU 292.A N LEU 288.A O no hydrogen 3.199 N/A LEU 293.A N LEU 289.A O no hydrogen 3.078 N/A