Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLN 3.A OE1 no hydrogen 2.657 N/A SER 5.A N GLU 2.A O no hydrogen 3.327 N/A VAL 8.A N GLN 4.A O no hydrogen 2.971 N/A ALA 9.A N GLN 6.A O no hydrogen 3.311 N/A VAL 11.A N VAL 77.A O no hydrogen 3.135 N/A TYR 12.A N GLY 149.A O no hydrogen 2.600 N/A VAL 13.A N GLY 75.A O no hydrogen 2.987 N/A GLY 14.A N VAL 147.A O no hydrogen 2.747 N/A GLY 15.A N CYS 73.A O no hydrogen 3.280 N/A LEU 17.A N LEU 71.A O no hydrogen 2.723 N/A ARG 19.A NH2 ASP 161.A OD2 no hydrogen 2.445 N/A TYR 20.A N ASP 69.A O no hydrogen 3.307 N/A TYR 20.A OH SER 66.A OG no hydrogen 2.718 N/A GLN 22.A N ARG 19.A O no hydrogen 3.329 N/A GLN 22.A NE2 TYR 206.A OH no hydrogen 2.635 N/A LEU 29.A N GLU 26.A O no hydrogen 2.823 N/A LEU 30.A N ALA 27.A O no hydrogen 2.935 N/A ARG 33.A NH1 ARG 68.A O no hydrogen 2.651 N/A ARG 33.A NH2 ARG 68.A O no hydrogen 2.930 N/A VAL 35.A N ASP 34.A OD1 no hydrogen 2.709 N/A VAL 36.A N PRO 32.A O no hydrogen 3.177 N/A GLU 37.A N ARG 33.A O no hydrogen 2.837 N/A HIS 38.A N ASP 34.A O no hydrogen 3.107 N/A TRP 39.A N VAL 35.A O no hydrogen 2.815 N/A LEU 40.A N VAL 36.A O no hydrogen 2.643 N/A HIS 41.A N GLU 37.A O no hydrogen 3.130 N/A ALA 42.A N HIS 38.A O no hydrogen 2.631 N/A GLN 43.A N TRP 39.A O no hydrogen 3.131 N/A GLN 43.A NE2 PHE 130.A O no hydrogen 3.664 N/A LEU 48.A N GLY 59.A O no hydrogen 2.908 N/A ASN 49.A N VAL 133.A O no hydrogen 3.359 N/A ILE 50.A N ALA 56.A O no hydrogen 2.723 N/A ASN 51.A N LEU 135.A O no hydrogen 2.703 N/A ASN 51.A ND2 ASN 190.A OD1 no hydrogen 2.605 N/A HIS 52.A ND1 HIS 132.A NE2 no hydrogen 2.798 N/A HIS 52.A NE2 SER 121.A OG no hydrogen 2.643 N/A ASP 53.A N ILE 50.A O no hydrogen 2.819 N/A THR 55.A N ASP 53.A OD1 no hydrogen 2.812 N/A THR 55.A OG1 ASP 53.A OD1 no hydrogen 2.522 N/A ALA 56.A N ASP 53.A O no hydrogen 3.052 N/A VAL 58.A N LEU 48.A O no hydrogen 2.554 N/A GLY 59.A N LEU 48.A O no hydrogen 3.396 N/A HIS 60.A N CYS 76.A O no hydrogen 3.187 N/A VAL 61.A N LEU 46.A O no hydrogen 2.672 N/A ALA 62.A N LEU 74.A O no hydrogen 2.821 N/A ALA 63.A N LEU 74.A O no hydrogen 3.033 N/A MET 64.A N GLN 173.A OE1 no hydrogen 2.870 N/A GLN 65.A N PHE 72.A O no hydrogen 2.892 N/A GLN 65.A NE2 SER 66.A O no hydrogen 3.528 N/A SER 66.A OG TYR 20.A OH no hydrogen 2.718 N/A SER 66.A OG GLU 37.A OE1 no hydrogen 3.398 N/A VAL 67.A N GLY 70.A O no hydrogen 2.694 N/A ARG 68.A NE ASP 69.A OD1 no hydrogen 2.689 N/A ARG 68.A NE ASP 69.A OD2 no hydrogen 3.321 N/A ARG 68.A NH1 ASP 69.A OD2 no hydrogen 3.401 N/A ARG 68.A NH1 ASP 161.A OD1 no hydrogen 3.372 N/A GLY 70.A N VAL 67.A O no hydrogen 3.089 N/A LEU 71.A N ALA 18.A O no hydrogen 3.038 N/A PHE 72.A N GLN 65.A O no hydrogen 2.899 N/A CYS 73.A N GLY 15.A O no hydrogen 2.997 N/A LEU 74.A N ALA 63.A O no hydrogen 2.779 N/A GLY 75.A N VAL 13.A O no hydrogen 2.636 N/A CYS 76.A N HIS 60.A O no hydrogen 2.993 N/A VAL 77.A N VAL 11.A O no hydrogen 2.738 N/A THR 78.A N VAL 58.A O no hydrogen 2.768 N/A THR 78.A OG1 VAL 58.A O no hydrogen 3.536 N/A SER 79.A N VAL 58.A O no hydrogen 2.796 N/A SER 79.A OG ASP 178.A OD1 no hydrogen 2.535 N/A SER 79.A OG ASP 178.A OD2 no hydrogen 3.417 N/A ARG 81.A N ASP 178.A OD2 no hydrogen 2.889 N/A ARG 81.A NH2 SER 182.A O no hydrogen 2.591 N/A PHE 82.A N SER 79.A OG no hydrogen 3.153 N/A LEU 83.A N SER 79.A O no hydrogen 2.757 N/A GLU 84.A N PRO 80.A O no hydrogen 2.799 N/A ILE 85.A N ARG 81.A O no hydrogen 2.889 N/A VAL 86.A N PHE 82.A O no hydrogen 2.910 N/A ARG 87.A N LEU 83.A O no hydrogen 3.024 N/A ARG 87.A NE GLU 84.A OE2 no hydrogen 2.931 N/A ARG 87.A NH2 GLU 84.A OE1 no hydrogen 2.644 N/A ARG 87.A NH2 GLU 84.A OE2 no hydrogen 3.367 N/A ARG 88.A N GLU 84.A O no hydrogen 2.998 N/A ALA 89.A N ILE 85.A O no hydrogen 2.893 N/A SER 90.A N VAL 86.A O no hydrogen 2.862 N/A SER 90.A OG VAL 86.A O no hydrogen 3.181 N/A SER 90.A OG ARG 87.A O no hydrogen 2.605 N/A GLU 91.A N ARG 87.A O no hydrogen 3.383 N/A LYS 92.A N ALA 89.A O no hydrogen 3.025 N/A SER 93.A N SER 90.A O no hydrogen 3.093 N/A VAL 96.A N SER 93.A OG no hydrogen 3.376 N/A SER 97.A N SER 93.A O no hydrogen 3.023 N/A ARG 98.A N GLU 94.A O no hydrogen 2.967 N/A ARG 98.A N LEU 95.A O no hydrogen 3.153 N/A GLY 99.A N VAL 96.A O no hydrogen 2.878 N/A ASP 107.A N GLU 111.A OE2 no hydrogen 2.814 N/A VAL 110.A N ASP 107.A OD1 no hydrogen 3.372 N/A GLU 111.A N ASP 107.A O no hydrogen 2.715 N/A PHE 112.A N LYS 108.A O no hydrogen 2.742 N/A LEU 113.A N VAL 109.A O no hydrogen 2.980 N/A SER 114.A N VAL 110.A O no hydrogen 2.867 N/A SER 114.A OG VAL 110.A O no hydrogen 2.823 N/A SER 114.A OG TYR 219.A O no hydrogen 3.428 N/A GLY 115.A N GLU 111.A O no hydrogen 3.008 N/A SER 116.A N PHE 112.A O no hydrogen 3.015 N/A SER 116.A OG PHE 112.A O no hydrogen 3.566 N/A TYR 117.A N LEU 113.A O no hydrogen 2.870 N/A GLY 119.A N CYS 136.A O no hydrogen 2.671 N/A LEU 120.A N THR 144.A O no hydrogen 2.973 N/A SER 121.A N ALA 134.A O no hydrogen 2.739 N/A SER 121.A OG HIS 52.A NE2 no hydrogen 2.643 N/A SER 123.A N HIS 132.A O no hydrogen 2.858 N/A ARG 125.A N PRO 129.A O no hydrogen 2.956 N/A ARG 125.A NH2 THR 127.A OG1 no hydrogen 3.009 N/A THR 128.A OG1 THR 128.A O no hydrogen 2.620 N/A LYS 131.A N SER 123.A O no hydrogen 2.754 N/A LYS 131.A NZ THR 128.A O no hydrogen 3.423 N/A LYS 131.A NZ THR 128.A OG1 no hydrogen 3.026 N/A HIS 132.A N SER 123.A O no hydrogen 3.352 N/A HIS 132.A NE2 HIS 52.A ND1 no hydrogen 2.798 N/A ALA 134.A N SER 121.A O no hydrogen 2.802 N/A LEU 135.A N ASN 49.A O no hydrogen 2.933 N/A CYS 136.A N GLY 119.A O no hydrogen 2.796 N/A ARG 141.A NH1 LEU 29.A O no hydrogen 3.123 N/A ARG 142.A NE ASP 207.A OD1 no hydrogen 2.989 N/A ARG 142.A NH1 GLY 139.A O no hydrogen 2.905 N/A ARG 142.A NH2 GLY 139.A O no hydrogen 2.905 N/A ARG 142.A NH2 ASP 207.A OD2 no hydrogen 2.694 N/A GLY 143.A N ASP 207.A OD1 no hydrogen 2.380 N/A THR 144.A OG1 ARG 141.A O no hydrogen 2.795 N/A ALA 146.A N ALA 118.A O no hydrogen 2.694 N/A VAL 147.A N GLY 14.A O no hydrogen 2.697 N/A TYR 148.A OH TYR 117.A O no hydrogen 2.510 N/A GLY 149.A N TYR 12.A O no hydrogen 2.716 N/A ARG 150.A NH2 GLN 6.A O no hydrogen 3.278 N/A GLU 153.A N ASP 151.A OD1 no hydrogen 2.860 N/A TRP 154.A N ASP 151.A OD2 no hydrogen 2.796 N/A VAL 155.A N ASP 151.A O no hydrogen 2.759 N/A THR 156.A N PRO 152.A O no hydrogen 2.885 N/A GLN 157.A N GLU 153.A O no hydrogen 3.093 N/A GLN 157.A N TRP 154.A O no hydrogen 3.234 N/A GLN 157.A NE2 GLU 153.A OE1 no hydrogen 2.913 N/A ARG 158.A N VAL 155.A O no hydrogen 3.072 N/A ARG 158.A NE TRP 154.A O no hydrogen 2.611 N/A ARG 158.A NH1 GLU 217.A O no hydrogen 2.560 N/A PHE 159.A N THR 156.A O no hydrogen 3.351 N/A LEU 162.A N PHE 159.A O no hydrogen 3.252 N/A THR 163.A N ASP 166.A OD1 no hydrogen 2.893 N/A ASP 166.A N THR 163.A OG1 no hydrogen 3.427 N/A ARG 167.A N THR 163.A O no hydrogen 2.936 N/A ARG 167.A NH1 LEU 162.A O no hydrogen 3.139 N/A ARG 167.A NH2 LEU 162.A O no hydrogen 3.464 N/A ASP 168.A N ALA 164.A O no hydrogen 2.978 N/A GLY 169.A N ALA 165.A O no hydrogen 3.112 N/A LEU 170.A N ASP 166.A O no hydrogen 3.033 N/A ARG 171.A N ARG 167.A O no hydrogen 2.690 N/A ARG 171.A NE GLU 153.A OE2 no hydrogen 2.362 N/A ARG 171.A NH1 ASP 168.A OD2 no hydrogen 2.731 N/A ARG 171.A NH2 GLU 153.A OE2 no hydrogen 2.881 N/A ALA 172.A N ASP 168.A O no hydrogen 2.818 N/A GLN 173.A N GLY 169.A O no hydrogen 3.288 N/A GLN 173.A NE2 MET 64.A O no hydrogen 2.827 N/A GLN 173.A NE2 GLY 169.A O no hydrogen 3.282 N/A TRP 174.A N LEU 170.A O no hydrogen 2.960 N/A GLN 175.A N ARG 171.A O no hydrogen 3.077 N/A ARG 176.A N GLN 173.A O no hydrogen 2.795 N/A PHE 180.A N ASP 178.A OD1 no hydrogen 3.221 N/A ARG 181.A N THR 55.A O no hydrogen 2.803 N/A ARG 181.A NH1 PRO 179.A O no hydrogen 2.767 N/A GLY 186.A N ASP 183.A OD1 no hydrogen 2.906 N/A LEU 187.A N ASP 183.A O no hydrogen 3.097 N/A LEU 188.A N SER 184.A O no hydrogen 2.710 N/A GLY 189.A N TYR 185.A O no hydrogen 2.903 N/A ASN 190.A N GLY 186.A O no hydrogen 3.104 N/A SER 191.A N LEU 187.A O no hydrogen 3.088 N/A SER 191.A N LEU 188.A O no hydrogen 3.123 N/A VAL 192.A N LEU 188.A O no hydrogen 3.423 N/A ALA 194.A N ASN 190.A O no hydrogen 3.281 N/A LEU 195.A N SER 191.A O no hydrogen 3.190 N/A LEU 195.A N VAL 192.A O no hydrogen 3.244 N/A TYR 196.A N ASP 193.A O no hydrogen 3.088 N/A ILE 197.A N ALA 194.A O no hydrogen 3.132 N/A LYS 203.A N GLU 199.A O no hydrogen 3.304 N/A LYS 203.A NZ ARG 198.A O no hydrogen 3.434 N/A LEU 204.A N ARG 200.A O no hydrogen 3.180 N/A ARG 205.A N LEU 201.A O no hydrogen 2.858 N/A ARG 205.A N PRO 202.A O no hydrogen 3.283 N/A TYR 206.A N PRO 202.A O no hydrogen 3.027 N/A ASP 207.A N LYS 203.A O no hydrogen 2.782 N/A LYS 208.A N LEU 204.A O no hydrogen 3.088 N/A GLN 209.A N ARG 205.A O no hydrogen 3.030 N/A LEU 210.A N TYR 206.A O no hydrogen 3.007 N/A VAL 211.A N ASP 207.A O no hydrogen 3.006 N/A GLY 212.A N GLN 209.A O no hydrogen 2.517 N/A THR 214.A N LYS 208.A O no hydrogen 3.119 N/A THR 214.A OG1 GLU 215.A OE1 no hydrogen 3.480 N/A GLU 215.A N GLY 212.A O no hydrogen 3.135 N/A ARG 216.A N VAL 213.A O no hydrogen 3.170 N/A ARG 216.A NE GLN 157.A O no hydrogen 2.807 N/A TYR 219.A OH GLN 105.A O no hydrogen 2.917 N/A VAL 220.A N SER 218.A OG no hydrogen 3.396 N/A LYS 221.A NZ GLU 111.A OE1 no hydrogen 3.169 N/A