Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b6k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLY 30.A O no hydrogen 2.897 N/A ALA 1.A N GLY 197.A O no hydrogen 2.668 N/A LYS 2.A N ASP 69.A OD2 no hydrogen 2.730 N/A LYS 2.A NZ ASP 67.A O no hydrogen 3.256 N/A VAL 3.A N GLU 32.A O no hydrogen 2.706 N/A LEU 4.A N ALA 70.A O no hydrogen 2.910 N/A VAL 5.A N VAL 34.A O no hydrogen 2.789 N/A LEU 6.A N ILE 72.A O no hydrogen 2.906 N/A TYR 7.A N LYS 36.A O no hydrogen 3.070 N/A TYR 7.A OH GLN 55.A OE1 no hydrogen 2.766 N/A TYR 8.A N GLY 74.A O no hydrogen 2.943 N/A TYR 8.A OH GLU 40.A OE2 no hydrogen 2.527 N/A TYR 11.A OH ALA 50.A O no hydrogen 2.916 N/A GLY 12.A N SER 9.A OG no hydrogen 2.893 N/A HIS 13.A NE2 GLY 169.A O no hydrogen 2.884 N/A GLU 15.A N SER 9.A OG no hydrogen 3.190 N/A THR 16.A N GLY 12.A O no hydrogen 2.753 N/A THR 16.A OG1 GLY 12.A O no hydrogen 2.985 N/A MET 17.A N HIS 13.A O no hydrogen 2.999 N/A ALA 18.A N ILE 14.A O no hydrogen 2.714 N/A ARG 19.A N GLU 15.A O no hydrogen 3.046 N/A ALA 20.A N THR 16.A O no hydrogen 3.238 N/A VAL 21.A N MET 17.A O no hydrogen 2.913 N/A ALA 22.A N ALA 18.A O no hydrogen 2.881 N/A GLU 23.A N ARG 19.A O no hydrogen 2.892 N/A GLY 24.A N ALA 20.A O no hydrogen 2.997 N/A ALA 25.A N VAL 21.A O no hydrogen 2.882 N/A SER 26.A N ALA 22.A O no hydrogen 2.814 N/A SER 26.A OG.A ALA 22.A O no hydrogen 3.250 N/A SER 26.A OG.B GLU 23.A O no hydrogen 2.982 N/A LYS 27.A N GLY 24.A O no hydrogen 3.215 N/A VAL 28.A N ALA 25.A O no hydrogen 3.157 N/A ALA 31.A N VAL 28.A O no hydrogen 3.043 N/A GLU 32.A N ALA 1.A O no hydrogen 2.765 N/A VAL 34.A N VAL 3.A O no hydrogen 2.826 N/A LYS 36.A N VAL 5.A O no hydrogen 3.012 N/A LYS 36.A NZ GLU 64.A OE2 no hydrogen 2.824 N/A ARG 37.A N PRO 58.A O no hydrogen 2.977 N/A ARG 37.A NE ALA 57.A O no hydrogen 2.911 N/A VAL 38.A N TYR 7.A O no hydrogen 2.915 N/A THR 41.A N GLU 40.A OE1 no hydrogen 2.867 N/A MET 42.A N GLU 40.A OE1 no hydrogen 2.943 N/A PHE 47.A N PRO 43.A O no hydrogen 2.923 N/A GLU 48.A N PRO 44.A O no hydrogen 2.930 N/A LYS 49.A N GLN 45.A O no hydrogen 2.915 N/A ALA 50.A N LEU 46.A O no hydrogen 2.981 N/A GLY 51.A N GLU 48.A O no hydrogen 2.847 N/A GLY 52.A N PHE 47.A O no hydrogen 2.836 N/A LYS 53.A N MET 10.A O no hydrogen 2.758 N/A LYS 53.A NZ GLU 15.A OE1 no hydrogen 2.826 N/A LYS 53.A NZ THR 54.A O no hydrogen 3.046 N/A GLN 55.A NE2 SER 9.A O no hydrogen 2.985 N/A GLN 55.A NE2 LYS 53.A O no hydrogen 2.977 N/A ALA 60.A N ARG 37.A O no hydrogen 2.899 N/A THR 61.A N GLU 64.A OE1 no hydrogen 2.779 N/A THR 61.A OG1 GLU 64.A OE1 no hydrogen 3.433 N/A GLU 64.A N THR 61.A OG1 no hydrogen 3.315 N/A LEU 65.A N PRO 62.A O no hydrogen 3.271 N/A ALA 66.A N GLN 63.A O.A no hydrogen 3.402 N/A ALA 66.A N GLN 63.A O.B no hydrogen 3.243 N/A ASP 67.A N GLU 64.A O no hydrogen 3.044 N/A TYR 68.A N LEU 65.A O no hydrogen 3.261 N/A ASP 69.A N LYS 2.A O no hydrogen 2.792 N/A ALA 70.A N LYS 2.A O no hydrogen 3.234 N/A ILE 71.A N LEU 106.A O no hydrogen 2.875 N/A ILE 72.A N LEU 4.A O no hydrogen 2.863 N/A PHE 73.A N SER 108.A O no hydrogen 2.786 N/A GLY 74.A N LEU 6.A O no hydrogen 2.927 N/A THR 75.A N PHE 110.A O no hydrogen 3.200 N/A THR 75.A OG1 PRO 76.A O no hydrogen 2.730 N/A THR 75.A OG1 SER 83.A OG no hydrogen 3.242 N/A THR 77.A N SER 112.A O no hydrogen 2.835 N/A THR 77.A OG1 ASN 81.A O no hydrogen 3.394 N/A THR 77.A OG1 THR 122.A OG1 no hydrogen 2.611 N/A ARG 78.A N ASN 81.A O no hydrogen 2.809 N/A ARG 78.A NH1 THR 77.A O no hydrogen 3.072 N/A GLY 80.A N THR 77.A OG1 no hydrogen 2.842 N/A ASN 81.A N ARG 78.A O no hydrogen 3.050 N/A ASN 81.A ND2 GLY 80.A O no hydrogen 3.151 N/A SER 83.A N THR 75.A OG1 no hydrogen 3.036 N/A SER 83.A OG THR 75.A OG1 no hydrogen 3.242 N/A MET 86.A N SER 83.A OG no hydrogen 3.392 N/A ARG 87.A N SER 83.A O no hydrogen 2.866 N/A ARG 87.A NE ASP 91.A OD1 no hydrogen 2.802 N/A ARG 87.A NH1 THR 129.A OG1 no hydrogen 2.817 N/A ARG 87.A NH2 ASP 91.A OD1 no hydrogen 2.897 N/A THR 88.A N GLY 84.A O no hydrogen 2.754 N/A THR 88.A OG1 GLY 84.A O no hydrogen 2.757 N/A PHE 89.A N GLN 85.A O no hydrogen 2.972 N/A LEU 90.A N MET 86.A O no hydrogen 2.909 N/A ASP 91.A N ARG 87.A O no hydrogen 2.911 N/A GLN 92.A N PHE 89.A O no hydrogen 2.937 N/A THR 93.A N LEU 90.A O no hydrogen 3.048 N/A THR 93.A OG1 LEU 90.A O no hydrogen 2.487 N/A THR 93.A OG1 HIS 133.A NE2 no hydrogen 2.950 N/A TRP 97.A N THR 93.A O no hydrogen 2.871 N/A ALA 98.A N GLY 94.A O no hydrogen 2.951 N/A SER 99.A N GLY 95.A O no hydrogen 3.205 N/A SER 99.A OG GLY 95.A O no hydrogen 3.301 N/A SER 99.A OG LEU 96.A O no hydrogen 3.329 N/A GLY 100.A N TRP 97.A O no hydrogen 2.985 N/A ALA 101.A N LEU 96.A O no hydrogen 2.878 N/A TYR 103.A N GLY 100.A O no hydrogen 3.222 N/A GLY 104.A N GLY 134.A O no hydrogen 2.861 N/A LYS 105.A N LEU 102.A O no hydrogen 3.081 N/A LEU 106.A N ASP 69.A O no hydrogen 3.093 N/A ALA 107.A N VAL 136.A O no hydrogen 2.861 N/A SER 108.A N ILE 71.A O no hydrogen 3.100 N/A SER 108.A OG VAL 138.A O no hydrogen 2.725 N/A PHE 110.A N PHE 73.A O no hydrogen 2.820 N/A SER 111.A N ALA 161.A O no hydrogen 2.910 N/A SER 111.A OG.A GLN 119.A O no hydrogen 3.353 N/A SER 111.A OG.B THR 75.A O no hydrogen 2.766 N/A SER 111.A OG.B SER 112.A O no hydrogen 3.464 N/A SER 112.A N SER 111.A OG.B no hydrogen 2.690 N/A THR 113.A N THR 163.A O no hydrogen 3.098 N/A GLY 116.A N THR 113.A OG1 no hydrogen 2.723 N/A GLN 119.A N GLY 116.A O no hydrogen 3.262 N/A THR 122.A N GLY 118.A O no hydrogen 2.851 N/A THR 122.A OG1 THR 77.A OG1 no hydrogen 2.611 N/A THR 122.A OG1 GLY 118.A O no hydrogen 2.678 N/A THR 124.A N GLU 120.A O no hydrogen 3.026 N/A THR 124.A OG1 GLU 120.A O no hydrogen 3.304 N/A SER 125.A N GLN 121.A O no hydrogen 2.962 N/A SER 125.A OG GLN 121.A O no hydrogen 2.587 N/A SER 125.A OG THR 122.A O no hydrogen 3.229 N/A THR 126.A N THR 122.A O no hydrogen 3.200 N/A THR 126.A N ILE 123.A O no hydrogen 3.033 N/A THR 126.A OG1 THR 122.A O no hydrogen 2.715 N/A TRP 127.A N ILE 123.A O no hydrogen 2.936 N/A THR 128.A N THR 124.A O no hydrogen 3.332 N/A THR 128.A OG1 THR 124.A O no hydrogen 3.531 N/A LEU 130.A N THR 126.A O no hydrogen 3.232 N/A ALA 131.A N TRP 127.A O no hydrogen 2.858 N/A HIS 132.A N THR 128.A O no hydrogen 3.194 N/A HIS 133.A N THR 129.A O no hydrogen 3.388 N/A HIS 133.A NE2 THR 93.A OG1 no hydrogen 2.950 N/A GLY 134.A N ALA 131.A O no hydrogen 2.852 N/A MET 135.A N LEU 130.A O no hydrogen 3.116 N/A VAL 136.A N LYS 105.A O no hydrogen 2.746 N/A VAL 138.A N ALA 107.A O no hydrogen 2.897 N/A ILE 140.A N PRO 158.A O no hydrogen 2.945 N/A GLY 141.A N PRO 158.A O no hydrogen 2.849 N/A GLN 145.A NE2 ALA 143.A O no hydrogen 3.158 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.834 N/A LEU 147.A N ALA 144.A O no hydrogen 3.158 N/A PHE 148.A N GLN 145.A O no hydrogen 3.013 N/A ASP 149.A N GLU 146.A O no hydrogen 2.998 N/A SER 151.A N ASP 149.A OD2 no hydrogen 3.000 N/A SER 151.A OG ASP 149.A OD2 no hydrogen 2.738 N/A ARG 154.A NH1 GLY 155.A O no hydrogen 3.060 N/A ARG 154.A NH2 ASP 149.A O no hydrogen 3.135 N/A GLY 155.A N GLU 177.A OE2 no hydrogen 2.733 N/A GLY 156.A N THR 162.A OG1 no hydrogen 2.684 N/A THR 157.A N GLY 160.A O no hydrogen 3.109 N/A THR 157.A OG1 GLY 160.A O no hydrogen 2.940 N/A TYR 159.A N THR 157.A OG1 no hydrogen 3.123 N/A GLY 160.A N THR 157.A O no hydrogen 3.246 N/A ALA 161.A N GLN 184.A OE1 no hydrogen 2.713 N/A THR 163.A N SER 111.A O no hydrogen 3.055 N/A THR 163.A OG1 GLU 177.A OE1 no hydrogen 2.659 N/A ILE 164.A N GLU 177.A OE2 no hydrogen 3.283 N/A ALA 165.A N THR 113.A O no hydrogen 2.655 N/A GLY 169.A N GLY 166.A O no hydrogen 3.118 N/A SER 170.A N ASP 168.A OD1 no hydrogen 3.162 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.547 N/A SER 170.A OG ASP 168.A OD2 no hydrogen 3.396 N/A ARG 171.A N ALA 165.A O no hydrogen 3.188 N/A SER 174.A N GLU 177.A OE1 no hydrogen 3.075 N/A GLU 177.A N SER 174.A OG no hydrogen 3.283 N/A LEU 178.A N SER 174.A O no hydrogen 2.882 N/A SER 179.A N GLN 175.A O no hydrogen 2.813 N/A SER 179.A OG.A GLU 146.A OE2 no hydrogen 2.629 N/A SER 179.A OG.B GLN 175.A O no hydrogen 3.010 N/A ILE 180.A N GLU 176.A O no hydrogen 3.032 N/A ALA 181.A N GLU 177.A O no hydrogen 2.985 N/A ARG 182.A N LEU 178.A O no hydrogen 2.831 N/A TYR 183.A N SER 179.A O no hydrogen 2.861 N/A GLN 184.A N ILE 180.A O no hydrogen 2.851 N/A GLN 184.A NE2 SER 108.A OG no hydrogen 2.779 N/A GLN 184.A NE2 VAL 109.A O no hydrogen 2.969 N/A GLY 185.A N ALA 181.A O no hydrogen 2.995 N/A GLU 186.A N ARG 182.A O no hydrogen 3.025 N/A TYR 187.A N TYR 183.A O no hydrogen 2.844 N/A VAL 188.A N GLN 184.A O no hydrogen 3.034 N/A ALA 189.A N GLY 185.A O no hydrogen 2.867 N/A GLY 190.A N GLU 186.A O no hydrogen 2.781 N/A LEU 191.A N TYR 187.A O no hydrogen 3.079 N/A ALA 192.A N VAL 188.A O no hydrogen 2.836 N/A VAL 193.A N ALA 189.A O no hydrogen 3.008 N/A LYS 194.A N GLY 190.A O no hydrogen 2.818 N/A LEU 195.A N LEU 191.A O no hydrogen 3.016 N/A ASN 196.A N ALA 192.A O no hydrogen 2.827 N/A ASN 196.A ND2 ALA 192.A O no hydrogen 2.906 N/A GLY 197.A N VAL 193.A O no hydrogen 2.720 N/A