Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N THR 1.A OG1 no hydrogen 2.350 N/A ARG 3.A N THR 1.A O no hydrogen 2.470 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.565 N/A TRP 6.A N ARG 3.A O no hydrogen 2.802 N/A LEU 9.A N GLU 5.A O no hydrogen 3.306 N/A ALA 10.A N TRP 6.A O no hydrogen 2.848 N/A LEU 11.A N ILE 7.A O no hydrogen 2.848 N/A GLY 12.A N TRP 8.A O no hydrogen 2.836 N/A THR 13.A N LEU 9.A O no hydrogen 2.853 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.830 N/A ALA 14.A N ALA 10.A O no hydrogen 2.976 N/A LEU 15.A N LEU 11.A O no hydrogen 2.872 N/A MET 16.A N.A GLY 12.A O no hydrogen 2.963 N/A MET 16.A N.B GLY 12.A O no hydrogen 2.977 N/A GLY 17.A N THR 13.A O no hydrogen 3.004 N/A LEU 18.A N ALA 14.A O no hydrogen 2.944 N/A GLY 19.A N LEU 15.A O no hydrogen 3.061 N/A THR 20.A N MET 16.A O.A no hydrogen 3.016 N/A THR 20.A N MET 16.A O.B no hydrogen 2.996 N/A THR 20.A OG1 MET 16.A O.A no hydrogen 2.821 N/A THR 20.A OG1 MET 16.A O.B no hydrogen 2.812 N/A LEU 21.A N GLY 17.A O no hydrogen 3.157 N/A TYR 22.A N LEU 18.A O no hydrogen 2.945 N/A PHE 23.A N GLY 19.A O no hydrogen 2.904 N/A LEU 24.A N THR 20.A O no hydrogen 2.903 N/A VAL 25.A N LEU 21.A O no hydrogen 2.939 N/A LYS 26.A N TYR 22.A O no hydrogen 2.821 N/A LYS 26.A NZ LEU 220.A O no hydrogen 2.747 N/A GLY 27.A N PHE 23.A O no hydrogen 2.862 N/A MET 28.A N VAL 25.A O no hydrogen 2.968 N/A ALA 35.A N ASP 32.A OD2 no hydrogen 3.058 N/A LYS 36.A N ASP 32.A O no hydrogen 2.927 N/A LYS 37.A N PRO 33.A O no hydrogen 3.310 N/A LYS 37.A NZ ASP 34.A OD1 no hydrogen 2.975 N/A PHE 38.A N ASP 34.A O no hydrogen 3.300 N/A TYR 39.A N ALA 35.A O no hydrogen 3.065 N/A ALA 40.A N LYS 36.A O no hydrogen 2.884 N/A ILE 41.A N LYS 37.A O no hydrogen 2.951 N/A THR 42.A N PHE 38.A O no hydrogen 3.015 N/A THR 42.A OG1 PHE 38.A O no hydrogen 2.570 N/A THR 42.A OG1 ASP 92.A OD1 no hydrogen 3.507 N/A THR 42.A OG1 ASP 92.A OD2 no hydrogen 2.703 N/A THR 43.A N TYR 39.A O no hydrogen 2.913 N/A THR 43.A OG1 TYR 39.A O no hydrogen 2.779 N/A LEU 44.A N ALA 40.A O no hydrogen 3.238 N/A ALA 47.A N THR 43.A O no hydrogen 3.375 N/A ILE 48.A N LEU 44.A O no hydrogen 3.013 N/A ALA 49.A N VAL 45.A O no hydrogen 3.148 N/A PHE 50.A N PRO 46.A O no hydrogen 2.714 N/A THR 51.A N ALA 47.A O no hydrogen 3.269 N/A THR 51.A OG1 ILE 48.A O no hydrogen 2.594 N/A MET 52.A N ILE 48.A O no hydrogen 3.097 N/A TYR 53.A N.A ALA 49.A O no hydrogen 2.772 N/A TYR 53.A N.B ALA 49.A O no hydrogen 2.766 N/A TYR 53.A OH.A ASP 208.A OD2.A no hydrogen 2.585 N/A TYR 53.A OH.A ASP 208.A OD2.B no hydrogen 2.667 N/A TYR 53.A OH.B ASP 208.A OD2.A no hydrogen 2.491 N/A TYR 53.A OH.B ASP 208.A OD2.B no hydrogen 2.558 N/A LEU 54.A N PHE 50.A O no hydrogen 3.010 N/A SER 55.A N THR 51.A O no hydrogen 2.986 N/A SER 55.A OG MET 52.A O no hydrogen 2.743 N/A MET 56.A N MET 52.A O no hydrogen 3.060 N/A LEU 57.A N TYR 53.A O.A no hydrogen 2.907 N/A LEU 57.A N TYR 53.A O.B no hydrogen 2.973 N/A LEU 58.A N LEU 54.A O no hydrogen 2.915 N/A GLY 59.A N MET 56.A O no hydrogen 3.033 N/A GLY 61.A N SER 55.A O no hydrogen 3.038 N/A THR 63.A N ILE 74.A O no hydrogen 2.835 N/A VAL 65.A N ASN 72.A O no hydrogen 2.708 N/A PHE 67.A N GLU 70.A O no hydrogen 3.025 N/A GLU 70.A N PHE 67.A O no hydrogen 3.061 N/A ASN 72.A N VAL 65.A O no hydrogen 2.839 N/A ILE 74.A N THR 63.A O no hydrogen 2.552 N/A TYR 75.A OH GLU 5.A OE2 no hydrogen 2.648 N/A ALA 77.A N GLY 61.A O no hydrogen 3.172 N/A ARG 78.A NH1 TYR 53.A OH.B no hydrogen 3.372 N/A TYR 79.A N TRP 76.A O no hydrogen 3.099 N/A TYR 79.A OH GLU 190.A OE2 no hydrogen 3.165 N/A ASP 81.A N.A ALA 77.A O no hydrogen 3.173 N/A ASP 81.A N.B ALA 77.A O no hydrogen 3.121 N/A TRP 82.A N.A ARG 78.A O no hydrogen 2.906 N/A TRP 82.A N.B ARG 78.A O no hydrogen 2.817 N/A TRP 82.A NE1.B ASP 208.A OD1.A no hydrogen 3.272 N/A TRP 82.A NE1.B ASP 208.A OD1.B no hydrogen 3.154 N/A LEU 83.A N TYR 79.A O no hydrogen 2.750 N/A PHE 84.A N ASP 81.A O.A no hydrogen 2.933 N/A PHE 84.A N ASP 81.A O.B no hydrogen 3.195 N/A THR 85.A N ASP 81.A O.A no hydrogen 2.899 N/A THR 85.A N ASP 81.A O.B no hydrogen 2.900 N/A THR 85.A OG1 ASP 81.A O.A no hydrogen 3.180 N/A THR 85.A OG1 ASP 81.A O.B no hydrogen 2.918 N/A THR 85.A OG1 ASP 81.A OD1.A no hydrogen 2.803 N/A THR 85.A OG1 ASP 81.A OD1.B no hydrogen 3.389 N/A THR 86.A N TRP 82.A O.A no hydrogen 3.084 N/A THR 86.A N TRP 82.A O.B no hydrogen 3.089 N/A THR 86.A OG1 TRP 82.A O.A no hydrogen 2.550 N/A THR 86.A OG1 TRP 82.A O.B no hydrogen 2.555 N/A THR 86.A OG1 ASP 111.A OD1 no hydrogen 2.505 N/A THR 86.A OG1 ASP 111.A OD2 no hydrogen 3.076 N/A LEU 89.A N THR 85.A O no hydrogen 2.980 N/A LEU 90.A N THR 86.A O no hydrogen 3.045 N/A LEU 91.A N PRO 87.A O no hydrogen 2.849 N/A ASP 92.A N LEU 88.A O no hydrogen 3.068 N/A LEU 93.A N LEU 89.A O no hydrogen 3.260 N/A ALA 94.A N LEU 90.A O no hydrogen 2.862 N/A LEU 95.A N LEU 91.A O no hydrogen 2.832 N/A LEU 96.A N ASP 92.A O no hydrogen 3.029 N/A VAL 97.A N LEU 93.A O no hydrogen 3.302 N/A ASP 98.A N LEU 95.A O no hydrogen 3.055 N/A ALA 99.A N ALA 94.A O no hydrogen 2.914 N/A THR 103.A N ASP 100.A OD2 no hydrogen 3.044 N/A THR 103.A OG1 ASP 100.A OD1 no hydrogen 2.978 N/A THR 103.A OG1 ASP 100.A OD2 no hydrogen 3.367 N/A ILE 104.A N ASP 100.A O no hydrogen 3.177 N/A LEU 105.A N GLN 101.A O no hydrogen 2.964 N/A ALA 106.A N GLY 102.A O no hydrogen 3.127 N/A LEU 107.A N THR 103.A O no hydrogen 3.009 N/A VAL 108.A N ILE 104.A O no hydrogen 2.921 N/A GLY 109.A N LEU 105.A O no hydrogen 2.828 N/A ALA 110.A N ALA 106.A O no hydrogen 2.903 N/A ASP 111.A N LEU 107.A O no hydrogen 2.878 N/A GLY 112.A N VAL 108.A O no hydrogen 2.950 N/A ILE 113.A N GLY 109.A O no hydrogen 3.090 N/A MET 114.A N ALA 110.A O no hydrogen 2.957 N/A ILE 115.A N ASP 111.A O no hydrogen 3.000 N/A GLY 116.A N GLY 112.A O no hydrogen 2.858 N/A THR 117.A N ILE 113.A O no hydrogen 2.839 N/A THR 117.A OG1 ILE 113.A O no hydrogen 2.688 N/A THR 117.A OG1 MET 114.A O no hydrogen 3.348 N/A GLY 118.A N MET 114.A O no hydrogen 3.108 N/A LEU 119.A N ILE 115.A O no hydrogen 2.899 N/A VAL 120.A N GLY 116.A O no hydrogen 3.010 N/A GLY 121.A N THR 117.A O no hydrogen 2.982 N/A ALA 122.A N GLY 118.A O no hydrogen 3.000 N/A LEU 123.A N LEU 119.A O no hydrogen 3.108 N/A LEU 123.A N VAL 120.A O no hydrogen 3.243 N/A THR 124.A N GLY 121.A O no hydrogen 3.415 N/A THR 124.A OG1 VAL 120.A O no hydrogen 2.667 N/A ARG 130.A N VAL 126.A O no hydrogen 3.352 N/A ARG 130.A N TYR 127.A O no hydrogen 3.072 N/A ARG 130.A NE GLU 190.A O no hydrogen 2.853 N/A ARG 130.A NH1 ALA 122.A O no hydrogen 3.052 N/A ARG 130.A NH1 THR 124.A O no hydrogen 2.820 N/A ARG 130.A NH2 ALA 122.A O no hydrogen 3.201 N/A ARG 130.A NH2 GLU 190.A O no hydrogen 2.732 N/A PHE 131.A N SER 128.A O no hydrogen 3.335 N/A VAL 132.A N TYR 129.A O no hydrogen 2.988 N/A TRP 133.A N TYR 129.A O no hydrogen 3.275 N/A TRP 134.A N ARG 130.A O no hydrogen 3.068 N/A TRP 134.A NE1 PRO 182.A O no hydrogen 2.997 N/A ALA 135.A N PHE 131.A O no hydrogen 2.998 N/A ILE 136.A N VAL 132.A O no hydrogen 3.153 N/A SER 137.A N TRP 133.A O no hydrogen 2.963 N/A SER 137.A OG MET 114.A O no hydrogen 2.664 N/A THR 138.A N TRP 134.A O no hydrogen 2.853 N/A THR 138.A OG1 TRP 134.A O no hydrogen 2.892 N/A ALA 139.A N ALA 135.A O no hydrogen 2.859 N/A ALA 140.A N ILE 136.A O no hydrogen 3.074 N/A MET 141.A N SER 137.A O no hydrogen 2.954 N/A LEU 142.A N THR 138.A O no hydrogen 2.982 N/A TYR 143.A N ALA 139.A O no hydrogen 3.071 N/A ILE 144.A N ALA 140.A O no hydrogen 3.185 N/A LEU 145.A N MET 141.A O no hydrogen 3.009 N/A TYR 146.A N LEU 142.A O no hydrogen 2.821 N/A VAL 147.A N TYR 143.A O no hydrogen 2.946 N/A LEU 148.A N ILE 144.A O no hydrogen 3.004 N/A PHE 149.A N LEU 145.A O no hydrogen 3.154 N/A PHE 149.A N TYR 146.A O no hydrogen 3.060 N/A PHE 150.A N TYR 146.A O no hydrogen 2.663 N/A GLY 151.A N VAL 147.A O no hydrogen 2.817 N/A THR 153.A N LEU 148.A O no hydrogen 3.274 N/A THR 153.A OG1 LEU 148.A O no hydrogen 2.967 N/A LYS 155.A N PHE 152.A O no hydrogen 2.620 N/A LYS 155.A NZ VAL 97.A O no hydrogen 3.024 N/A LYS 155.A NZ ASP 98.A O no hydrogen 3.362 N/A ALA 156.A N PHE 152.A O no hydrogen 3.172 N/A SER 158.A OG LYS 155.A O no hydrogen 2.722 N/A MET 159.A N ALA 156.A O no hydrogen 3.216 N/A ARG 160.A NH2 PHE 226.A O no hydrogen 2.919 N/A ALA 164.A N ARG 160.A O no hydrogen 2.990 N/A SER 165.A N PRO 161.A O no hydrogen 3.108 N/A SER 165.A OG GLU 162.A O no hydrogen 3.483 N/A THR 166.A N GLU 162.A O no hydrogen 3.202 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.798 N/A PHE 167.A N VAL 163.A O no hydrogen 2.933 N/A LYS 168.A N ALA 164.A O no hydrogen 2.836 N/A VAL 169.A N SER 165.A O no hydrogen 3.088 N/A LEU 170.A N THR 166.A O no hydrogen 2.959 N/A ARG 171.A N PHE 167.A O no hydrogen 2.655 N/A ARG 171.A NH1 THR 153.A OG1 no hydrogen 2.542 N/A ASN 172.A N LYS 168.A O no hydrogen 2.950 N/A VAL 173.A N VAL 169.A O no hydrogen 2.981 N/A THR 174.A N LEU 170.A O no hydrogen 2.881 N/A THR 174.A OG1 LEU 170.A O no hydrogen 2.896 N/A VAL 175.A N ARG 171.A O no hydrogen 2.963 N/A VAL 176.A N ASN 172.A O no hydrogen 3.097 N/A LEU 177.A N VAL 173.A O no hydrogen 3.005 N/A TRP 178.A N THR 174.A O no hydrogen 2.828 N/A SER 179.A N VAL 175.A O no hydrogen 3.253 N/A SER 179.A OG VAL 175.A O no hydrogen 2.805 N/A ALA 180.A N LEU 177.A O no hydrogen 3.082 N/A TYR 181.A N TRP 178.A O no hydrogen 3.176 N/A TYR 181.A OH ASP 208.A OD1.A no hydrogen 2.561 N/A TYR 181.A OH ASP 208.A OD1.B no hydrogen 2.641 N/A VAL 184.A N ALA 180.A O no hydrogen 3.008 N/A TRP 185.A N TYR 181.A O no hydrogen 2.969 N/A TRP 185.A NE1 TYR 79.A OH no hydrogen 2.805 N/A LEU 186.A N PRO 182.A O no hydrogen 2.996 N/A ILE 187.A N VAL 183.A O no hydrogen 3.112 N/A GLY 188.A N VAL 184.A O no hydrogen 2.899 N/A SER 189.A N GLU 200.A OE1 no hydrogen 2.504 N/A GLY 191.A N GLY 188.A O no hydrogen 3.046 N/A ALA 192.A N LEU 186.A O no hydrogen 2.704 N/A GLY 193.A N GLY 188.A O no hydrogen 2.783 N/A ILE 194.A N ILE 187.A O no hydrogen 2.833 N/A VAL 195.A N ILE 187.A O no hydrogen 2.741 N/A GLU 200.A N PRO 196.A O no hydrogen 2.868 N/A THR 201.A N LEU 197.A O no hydrogen 2.755 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.680 N/A LEU 202.A N ASN 198.A O no hydrogen 3.225 N/A LEU 203.A N ILE 199.A O no hydrogen 2.969 N/A PHE 204.A N GLU 200.A O no hydrogen 3.069 N/A MET 205.A N THR 201.A O no hydrogen 2.931 N/A VAL 206.A N LEU 202.A O no hydrogen 3.045 N/A LEU 207.A N LEU 203.A O no hydrogen 3.007 N/A ASP 208.A N.A PHE 204.A O no hydrogen 2.740 N/A ASP 208.A N.B PHE 204.A O no hydrogen 2.733 N/A VAL 209.A N MET 205.A O no hydrogen 3.033 N/A SER 210.A N VAL 206.A O no hydrogen 3.137 N/A SER 210.A OG VAL 206.A O no hydrogen 2.920 N/A ALA 211.A N.A LEU 207.A O no hydrogen 2.771 N/A ALA 211.A N.B LEU 207.A O no hydrogen 2.815 N/A LYS 212.A N.A ASP 208.A O.A no hydrogen 2.899 N/A LYS 212.A N.A ASP 208.A O.B no hydrogen 3.045 N/A LYS 212.A N.B ASP 208.A O.A no hydrogen 2.792 N/A LYS 212.A N.B ASP 208.A O.B no hydrogen 2.921 N/A LYS 212.A NZ.A ASP 81.A OD1.A no hydrogen 3.559 N/A LYS 212.A NZ.A THR 85.A OG1 no hydrogen 3.237 N/A VAL 213.A N.A VAL 209.A O no hydrogen 2.738 N/A GLY 214.A N VAL 209.A O no hydrogen 2.995 N/A PHE 215.A N SER 210.A O no hydrogen 2.910 N/A GLY 216.A N LYS 212.A O.A no hydrogen 2.915 N/A GLY 216.A N LYS 212.A O.B no hydrogen 3.001 N/A LEU 217.A N VAL 213.A O no hydrogen 2.896 N/A ILE 218.A N GLY 214.A O no hydrogen 3.208 N/A LEU 219.A N PHE 215.A O no hydrogen 3.127 N/A LEU 220.A N GLY 216.A O no hydrogen 2.819 N/A ARG 221.A N ILE 218.A O no hydrogen 3.448 N/A SER 222.A N LEU 219.A O no hydrogen 3.276 N/A SER 222.A OG LEU 219.A O no hydrogen 3.041 N/A PHE 226.A N ARG 223.A O no hydrogen 3.206 N/A GLY 227.A N ASP 32.A OD2 no hydrogen 3.359 N/A GLU 228.A N PHE 226.A O no hydrogen 2.643 N/A