Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 TYR 10.A OH no hydrogen 2.927 N/A TYR 5.A N ASN 3.A OD1 no hydrogen 2.730 N/A TYR 5.A OH ASN 55.A O no hydrogen 2.744 N/A THR 6.A N ASP 9.A OD2 no hydrogen 2.999 N/A ASP 9.A N THR 6.A OG1 no hydrogen 3.196 N/A TYR 10.A N THR 6.A O no hydrogen 3.480 N/A LYS 11.A N TYR 7.A O no hydrogen 3.035 N/A ASN 12.A N GLU 8.A O no hydrogen 2.673 N/A THR 13.A N ASP 9.A O no hydrogen 3.028 N/A THR 13.A OG1 ASP 9.A O no hydrogen 3.318 N/A THR 13.A OG1 PRO 54.A O no hydrogen 2.660 N/A ALA 14.A N TYR 10.A O no hydrogen 3.085 N/A GLU 15.A N LYS 11.A O no hydrogen 2.919 N/A TRP 16.A N ASN 12.A O no hydrogen 3.102 N/A LEU 17.A N THR 13.A O no hydrogen 3.138 N/A LEU 17.A N ALA 14.A O no hydrogen 2.923 N/A LEU 18.A N ALA 14.A O no hydrogen 2.731 N/A SER 19.A N GLU 15.A O no hydrogen 2.788 N/A SER 19.A OG GLU 15.A O no hydrogen 3.342 N/A HIS 20.A N LEU 17.A O no hydrogen 2.975 N/A THR 21.A OG1 GLN 46.A OE1 no hydrogen 2.730 N/A ARG 24.A NH1 LEU 18.A O no hydrogen 3.484 N/A ARG 24.A NH1 THR 21.A O no hydrogen 2.796 N/A ARG 24.A NH1 HIS 23.A O no hydrogen 2.635 N/A ARG 24.A NH2 LEU 18.A O no hydrogen 3.203 N/A GLN 26.A N ALA 77.A O no hydrogen 2.757 N/A GLN 26.A NE2 PRO 283.A O no hydrogen 2.695 N/A VAL 27.A N ALA 77.A O no hydrogen 3.216 N/A ALA 28.A N THR 110.A O no hydrogen 3.095 N/A ILE 29.A N VAL 79.A O no hydrogen 2.880 N/A ILE 30.A N VAL 112.A O no hydrogen 2.760 N/A CYS 31.A N MET 81.A O no hydrogen 3.241 N/A CYS 31.A SG MET 81.A O no hydrogen 3.642 N/A GLY 32.A N THR 114.A OG1 no hydrogen 2.624 N/A THR 39.A N GLY 36.A O no hydrogen 3.481 N/A ASP 40.A N GLY 37.A O no hydrogen 3.014 N/A LYS 41.A N LEU 38.A O no hydrogen 3.170 N/A THR 43.A N PHE 72.A O no hydrogen 2.906 N/A GLN 46.A N PHE 70.A O no hydrogen 2.791 N/A GLN 46.A NE2 HIS 20.A O no hydrogen 3.136 N/A PHE 48.A N LEU 68.A O no hydrogen 2.696 N/A ASP 49.A N GLU 52.A OE2 no hydrogen 3.144 N/A TYR 50.A N GLY 66.A O no hydrogen 2.796 N/A TYR 50.A OH GLY 83.A O no hydrogen 2.543 N/A GLU 52.A N ASP 49.A O no hydrogen 2.960 N/A ILE 53.A N TYR 50.A O no hydrogen 2.841 N/A ASN 55.A ND2 ASP 9.A O no hydrogen 2.863 N/A ASN 55.A ND2 THR 13.A OG1 no hydrogen 3.059 N/A PHE 56.A N ILE 53.A O no hydrogen 3.404 N/A ARG 58.A NH1 ILE 53.A O no hydrogen 2.935 N/A ARG 58.A NH2 ILE 53.A O no hydrogen 2.962 N/A HIS 64.A N VAL 61.A O no hydrogen 3.038 N/A GLY 66.A N GLY 63.A O no hydrogen 3.051 N/A ARG 67.A N GLN 82.A O no hydrogen 3.003 N/A ARG 67.A NE GLN 82.A OE1 no hydrogen 3.105 N/A ARG 67.A NH2 GLN 82.A OE1 no hydrogen 3.049 N/A LEU 68.A N PHE 48.A O no hydrogen 2.779 N/A VAL 69.A N MET 80.A O no hydrogen 3.047 N/A PHE 70.A N GLN 46.A O no hydrogen 2.822 N/A GLY 71.A N CYS 78.A O no hydrogen 2.959 N/A PHE 72.A N THR 43.A O no hydrogen 2.911 N/A LEU 73.A N ARG 76.A O no hydrogen 2.795 N/A ASN 74.A ND2 SER 276.A O no hydrogen 2.897 N/A ARG 76.A N LEU 73.A O no hydrogen 2.679 N/A ARG 76.A NE ILE 282.A O no hydrogen 3.054 N/A ARG 76.A NH2 ILE 282.A O no hydrogen 2.554 N/A CYS 78.A N GLY 71.A O no hydrogen 2.759 N/A CYS 78.A SG ARG 76.A O no hydrogen 3.597 N/A VAL 79.A N VAL 27.A O no hydrogen 2.923 N/A MET 80.A N VAL 69.A O no hydrogen 2.868 N/A MET 81.A N ILE 29.A O no hydrogen 2.824 N/A GLN 82.A N ARG 67.A O no hydrogen 3.012 N/A ARG 84.A NH2 THR 114.A O no hydrogen 2.676 N/A HIS 86.A N GLU 89.A OE1 no hydrogen 2.946 N/A HIS 86.A ND1 GLU 89.A OE1 no hydrogen 2.825 N/A GLU 89.A N HIS 86.A O no hydrogen 3.096 N/A GLY 90.A N MET 87.A O no hydrogen 2.970 N/A TYR 91.A OH ARG 58.A O no hydrogen 2.721 N/A LYS 95.A N PRO 92.A O no hydrogen 2.917 N/A VAL 96.A N PRO 92.A O no hydrogen 3.122 N/A THR 97.A N LEU 93.A O no hydrogen 3.096 N/A THR 97.A OG1 LEU 93.A O no hydrogen 2.851 N/A PHE 98.A N LYS 95.A O no hydrogen 3.155 N/A VAL 100.A N THR 97.A O no hydrogen 3.209 N/A ARG 101.A NH1 HIS 230.A ND1 no hydrogen 3.366 N/A ARG 101.A NH2 TYR 10.A OH no hydrogen 3.348 N/A VAL 102.A N PHE 98.A O no hydrogen 3.291 N/A PHE 103.A N PRO 99.A O no hydrogen 2.720 N/A HIS 104.A N VAL 100.A O no hydrogen 3.132 N/A LEU 105.A N ARG 101.A O no hydrogen 3.130 N/A LEU 106.A N PHE 103.A O no hydrogen 2.798 N/A GLY 107.A N HIS 104.A O no hydrogen 3.021 N/A VAL 108.A N PHE 103.A O no hydrogen 3.149 N/A ASP 109.A N GLN 26.A O no hydrogen 2.676 N/A THR 110.A N GLN 26.A O no hydrogen 3.285 N/A THR 110.A OG1 ASP 109.A OD1 no hydrogen 2.855 N/A LEU 111.A N ARG 234.A O no hydrogen 2.620 N/A VAL 112.A N ALA 28.A O no hydrogen 2.814 N/A VAL 113.A N PHE 236.A O no hydrogen 3.125 N/A THR 114.A N ILE 30.A O no hydrogen 3.038 N/A THR 114.A OG1 ILE 30.A O no hydrogen 3.067 N/A ASN 115.A ND2 THR 221.A OG1 no hydrogen 3.142 N/A ALA 117.A N LEU 240.A O no hydrogen 2.863 N/A GLY 118.A N VAL 217.A O no hydrogen 3.075 N/A GLY 119.A N ASN 243.A O no hydrogen 2.722 N/A LEU 120.A N ASP 215.A O no hydrogen 2.657 N/A ASN 121.A N ASP 215.A O no hydrogen 3.108 N/A ASN 121.A ND2 ASP 215.A OD1 no hydrogen 3.139 N/A LYS 123.A N ASN 121.A OD1 no hydrogen 3.073 N/A PHE 124.A N ASN 121.A O no hydrogen 3.106 N/A GLU 125.A N ASP 128.A OD2 no hydrogen 2.947 N/A GLY 127.A N ILE 241.A O no hydrogen 3.009 N/A ASP 128.A N GLU 125.A O no hydrogen 2.870 N/A MET 130.A N SER 239.A O no hydrogen 2.943 N/A LEU 131.A N GLN 188.A O no hydrogen 2.781 N/A ILE 132.A N GLY 237.A O no hydrogen 2.930 N/A ARG 133.A N GLY 190.A O no hydrogen 2.976 N/A HIS 135.A N ASP 134.A OD1 no hydrogen 2.797 N/A HIS 135.A ND1 TYR 166.A OH no hydrogen 2.819 N/A ILE 136.A N TYR 192.A O no hydrogen 2.967 N/A GLY 140.A N ASN 137.A OD1 no hydrogen 2.839 N/A PHE 141.A N ASN 137.A O no hydrogen 3.340 N/A PHE 141.A N LEU 138.A O no hydrogen 2.964 N/A SER 142.A N PRO 139.A O no hydrogen 3.216 N/A GLY 143.A N GLY 140.A O no hydrogen 3.304 N/A GLN 144.A N PRO 139.A O no hydrogen 3.216 N/A ASN 145.A N GLY 143.A O no hydrogen 2.998 N/A LEU 147.A N ASN 145.A OD1 no hydrogen 2.874 N/A ARG 148.A N ASN 145.A O no hydrogen 2.928 N/A ASN 151.A ND2 GLY 156.A O no hydrogen 2.836 N/A ARG 154.A N ASP 152.A OD1 no hydrogen 2.910 N/A ARG 154.A NE ASP 152.A OD1 no hydrogen 3.127 N/A ARG 154.A NH1 ASP 152.A OD2 no hydrogen 3.436 N/A PHE 155.A N ASP 152.A O no hydrogen 3.002 N/A GLY 156.A N ASP 152.A O no hydrogen 3.468 N/A ARG 158.A NE.B ARG 158.A O no hydrogen 2.709 N/A ARG 158.A NH1.A GLY 149.A O no hydrogen 2.507 N/A ARG 158.A NH1.B GLY 149.A O no hydrogen 3.014 N/A ARG 158.A NH2.A GLY 149.A O no hydrogen 2.727 N/A ARG 158.A NH2.B LEU 147.A O no hydrogen 3.304 N/A ALA 165.A N MET 162.A O no hydrogen 3.100 N/A TYR 166.A OH HIS 135.A ND1 no hydrogen 2.819 N/A ASP 167.A N VAL 235.A O no hydrogen 2.981 N/A MET 170.A N ASP 167.A OD2 no hydrogen 2.782 N/A ARG 171.A N ASP 167.A O no hydrogen 3.244 N/A ARG 171.A N ARG 168.A O no hydrogen 3.066 N/A ARG 171.A NE TYR 166.A O no hydrogen 3.189 N/A ARG 171.A NH1 GLU 189.A OE2 no hydrogen 2.766 N/A ARG 171.A NH2 TYR 166.A O no hydrogen 3.340 N/A GLN 172.A N ARG 168.A O no hydrogen 3.141 N/A ARG 173.A N THR 169.A O no hydrogen 2.918 N/A ARG 173.A NH2 SER 281.A O no hydrogen 2.781 N/A ALA 174.A N MET 170.A O no hydrogen 2.971 N/A LEU 175.A N ARG 171.A O no hydrogen 3.316 N/A SER 176.A N GLN 172.A O no hydrogen 3.173 N/A SER 176.A OG GLN 172.A O no hydrogen 3.271 N/A THR 177.A N ARG 173.A O no hydrogen 3.291 N/A THR 177.A OG1 ARG 173.A O no hydrogen 2.893 N/A TRP 178.A N LEU 175.A O no hydrogen 3.201 N/A TRP 178.A NE1 ARG 185.A O no hydrogen 3.133 N/A LYS 179.A N LEU 175.A O no hydrogen 3.469 N/A LYS 179.A N SER 176.A O no hydrogen 2.842 N/A GLN 180.A N SER 176.A O no hydrogen 3.339 N/A GLY 182.A N LYS 179.A O no hydrogen 2.681 N/A GLN 184.A N GLN 184.A OE1 no hydrogen 2.685 N/A GLN 188.A N ILE 129.A O no hydrogen 3.048 N/A GLN 188.A NE2 ASP 128.A OD2 no hydrogen 3.263 N/A GLY 190.A N LEU 131.A O no hydrogen 3.082 N/A THR 191.A N ASP 215.A OD2 no hydrogen 2.675 N/A TYR 192.A N ASP 134.A O no hydrogen 2.989 N/A TYR 192.A OH SER 220.A O no hydrogen 3.285 N/A VAL 193.A N ALA 216.A O no hydrogen 2.722 N/A MET 194.A N ILE 136.A O no hydrogen 3.089 N/A VAL 195.A N GLY 218.A O no hydrogen 2.953 N/A THR 202.A N GLU 205.A OE1 no hydrogen 2.957 N/A GLU 205.A N THR 202.A OG1 no hydrogen 2.938 N/A CYS 206.A N THR 202.A O no hydrogen 2.909 N/A CYS 206.A SG THR 202.A O no hydrogen 3.311 N/A CYS 206.A SG ILE 246.A O no hydrogen 3.804 N/A ARG 207.A N VAL 203.A O no hydrogen 2.983 N/A ARG 207.A NE MET 247.A O no hydrogen 3.233 N/A ARG 207.A NH2 MET 247.A O no hydrogen 3.387 N/A VAL 208.A N ALA 204.A O no hydrogen 3.195 N/A LEU 209.A N GLU 205.A O no hydrogen 2.919 N/A GLN 210.A N CYS 206.A O no hydrogen 2.863 N/A LYS 211.A N ARG 207.A O no hydrogen 2.980 N/A LEU 212.A N LEU 209.A O no hydrogen 3.009 N/A GLY 213.A N GLN 210.A O no hydrogen 2.822 N/A ALA 214.A N LEU 209.A O no hydrogen 3.287 N/A ASP 215.A N THR 191.A O no hydrogen 2.748 N/A ALA 216.A N THR 191.A O no hydrogen 3.048 N/A VAL 217.A N GLY 118.A O no hydrogen 3.040 N/A GLY 218.A N VAL 193.A O no hydrogen 3.125 N/A SER 220.A N TYR 192.A OH no hydrogen 3.175 N/A SER 220.A OG THR 221.A OG1 no hydrogen 2.820 N/A THR 221.A OG1 SER 220.A OG no hydrogen 2.820 N/A VAL 222.A N SER 220.A O no hydrogen 2.760 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.801 N/A VAL 225.A N THR 221.A O no hydrogen 2.838 N/A ILE 226.A N VAL 222.A O no hydrogen 2.768 N/A VAL 227.A N PRO 223.A O no hydrogen 2.992 N/A ALA 228.A N GLU 224.A O no hydrogen 2.850 N/A ARG 229.A N VAL 225.A O no hydrogen 2.920 N/A ARG 229.A NH1 LEU 233.A O no hydrogen 3.095 N/A HIS 230.A N ILE 226.A O no hydrogen 2.903 N/A HIS 230.A NE2 ASN 151.A OD1 no hydrogen 3.006 N/A HIS 230.A NE2 ASP 157.A O no hydrogen 2.813 N/A CYS 231.A N VAL 227.A O no hydrogen 3.086 N/A CYS 231.A N ALA 228.A O no hydrogen 2.980 N/A CYS 231.A SG VAL 227.A O no hydrogen 3.476 N/A CYS 231.A SG ALA 228.A O no hydrogen 3.660 N/A GLY 232.A N ALA 228.A O no hydrogen 2.959 N/A GLY 232.A N ARG 229.A O no hydrogen 3.058 N/A LEU 233.A N ALA 228.A O no hydrogen 3.165 N/A ARG 234.A N ASP 109.A O no hydrogen 3.000 N/A PHE 236.A N LEU 111.A O no hydrogen 2.987 N/A PHE 238.A N VAL 113.A O no hydrogen 3.130 N/A SER 239.A N MET 130.A O no hydrogen 2.901 N/A SER 239.A OG ASN 115.A OD1 no hydrogen 2.910 N/A LEU 240.A N ASN 115.A O no hydrogen 2.875 N/A ILE 241.A N ASP 128.A O no hydrogen 2.939 N/A THR 242.A N ALA 117.A O no hydrogen 3.041 N/A THR 242.A OG1 ALA 117.A O no hydrogen 3.320 N/A THR 242.A OG1 ASN 243.A OD1 no hydrogen 2.604 N/A LYS 244.A NZ PRO 122.A O no hydrogen 3.289 N/A LYS 244.A NZ PHE 124.A O no hydrogen 2.589 N/A VAL 245.A N GLY 119.A O no hydrogen 3.077 N/A GLU 253.A N SER 251.A OG no hydrogen 3.197 N/A LEU 261.A N HIS 257.A O no hydrogen 2.961 N/A ALA 262.A N GLU 258.A O no hydrogen 2.874 N/A ALA 263.A N GLU 259.A O no hydrogen 3.138 N/A GLY 264.A N VAL 260.A O no hydrogen 3.077 N/A LYS 265.A N LEU 261.A O no hydrogen 3.148 N/A GLN 266.A N ALA 262.A O no hydrogen 3.271 N/A ALA 267.A N ALA 263.A O no hydrogen 3.238 N/A ALA 268.A N LYS 265.A O no hydrogen 3.350 N/A LEU 271.A N ALA 267.A O no hydrogen 2.938 N/A LEU 271.A N ALA 268.A O no hydrogen 2.980 N/A GLU 272.A N ALA 268.A O no hydrogen 3.345 N/A GLN 273.A N GLN 269.A O no hydrogen 3.146 N/A PHE 274.A N LYS 270.A O no hydrogen 3.059 N/A VAL 275.A N LEU 271.A O no hydrogen 2.817 N/A SER 276.A N GLU 272.A O no hydrogen 2.741 N/A ILE 277.A N GLN 273.A O no hydrogen 2.785 N/A LEU 278.A N PHE 274.A O no hydrogen 2.956 N/A MET 279.A N VAL 275.A O no hydrogen 3.068 N/A ALA 280.A N ILE 277.A O no hydrogen 3.027 N/A SER 281.A N LEU 278.A O no hydrogen 2.798 N/A SER 281.A OG LEU 278.A O no hydrogen 3.395 N/A ILE 282.A N MET 279.A O no hydrogen 3.027 N/A