Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3haq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 4.A OE2 no hydrogen 2.679 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.718 N/A TRP 5.A N ARG 2.A O no hydrogen 2.951 N/A TRP 7.A N GLU 4.A O no hydrogen 3.051 N/A LEU 8.A N GLU 4.A O no hydrogen 3.212 N/A ALA 9.A N TRP 5.A O no hydrogen 2.813 N/A LEU 10.A N ILE 6.A O no hydrogen 3.088 N/A GLY 11.A N TRP 7.A O no hydrogen 2.944 N/A THR 12.A N LEU 8.A O no hydrogen 3.186 N/A THR 12.A OG1 LEU 8.A O no hydrogen 2.750 N/A ALA 13.A N ALA 9.A O no hydrogen 3.021 N/A LEU 14.A N LEU 10.A O no hydrogen 2.945 N/A MET 15.A N GLY 11.A O no hydrogen 2.956 N/A GLY 16.A N THR 12.A O no hydrogen 2.934 N/A LEU 17.A N ALA 13.A O no hydrogen 2.911 N/A GLY 18.A N LEU 14.A O no hydrogen 3.058 N/A THR 19.A N MET 15.A O no hydrogen 3.020 N/A THR 19.A OG1 MET 15.A O no hydrogen 2.499 N/A LEU 20.A N GLY 16.A O no hydrogen 3.026 N/A TYR 21.A N LEU 17.A O no hydrogen 2.946 N/A PHE 22.A N GLY 18.A O no hydrogen 2.784 N/A LEU 23.A N THR 19.A O no hydrogen 2.869 N/A VAL 24.A N LEU 20.A O no hydrogen 2.919 N/A LYS 25.A N TYR 21.A O no hydrogen 3.142 N/A GLY 26.A N PHE 22.A O no hydrogen 2.840 N/A MET 27.A N LEU 23.A O no hydrogen 2.964 N/A GLY 28.A N VAL 24.A O no hydrogen 3.374 N/A VAL 29.A N GLY 26.A O no hydrogen 3.447 N/A ALA 34.A N ASP 31.A OD2 no hydrogen 3.064 N/A LYS 35.A N ASP 31.A O no hydrogen 3.009 N/A LYS 35.A NZ GLY 26.A O no hydrogen 3.256 N/A LYS 35.A NZ VAL 29.A O no hydrogen 2.522 N/A LYS 36.A N PRO 32.A O no hydrogen 3.371 N/A LYS 36.A N ASP 33.A O no hydrogen 3.220 N/A LYS 36.A NZ.B PRO 32.A O no hydrogen 3.394 N/A TYR 38.A N ALA 34.A O no hydrogen 2.970 N/A ALA 39.A N LYS 35.A O no hydrogen 2.942 N/A ILE 40.A N LYS 36.A O no hydrogen 3.303 N/A THR 41.A N PHE 37.A O no hydrogen 2.980 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.574 N/A THR 41.A OG1 ASP 91.A OD1 no hydrogen 3.291 N/A THR 41.A OG1 ASP 91.A OD2 no hydrogen 2.684 N/A THR 42.A N TYR 38.A O no hydrogen 2.757 N/A THR 42.A OG1 TYR 38.A O no hydrogen 2.535 N/A LEU 43.A N ALA 39.A O no hydrogen 3.163 N/A VAL 44.A N ILE 40.A O no hydrogen 3.369 N/A ALA 46.A N THR 42.A O no hydrogen 3.436 N/A ILE 47.A N LEU 43.A O no hydrogen 2.938 N/A ALA 48.A N VAL 44.A O no hydrogen 3.122 N/A PHE 49.A N PRO 45.A O no hydrogen 2.684 N/A THR 50.A N ALA 46.A O no hydrogen 3.360 N/A THR 50.A OG1 ILE 47.A O no hydrogen 3.091 N/A MET 51.A N ILE 47.A O no hydrogen 3.083 N/A TYR 52.A N ALA 48.A O no hydrogen 2.734 N/A TYR 52.A OH ASP 207.A OD2 no hydrogen 2.859 N/A LEU 53.A N PHE 49.A O no hydrogen 2.893 N/A SER 54.A N THR 50.A O no hydrogen 3.055 N/A SER 54.A OG THR 50.A O no hydrogen 2.780 N/A MET 55.A N MET 51.A O no hydrogen 3.001 N/A LEU 56.A N TYR 52.A O no hydrogen 2.736 N/A LEU 57.A N LEU 53.A O no hydrogen 2.977 N/A LEU 57.A N SER 54.A O no hydrogen 3.170 N/A GLY 58.A N MET 55.A O no hydrogen 3.004 N/A TYR 59.A N SER 54.A O no hydrogen 2.925 N/A THR 62.A N ILE 73.A O no hydrogen 2.830 N/A VAL 64.A N ASN 71.A O no hydrogen 2.756 N/A PHE 66.A N GLU 69.A O no hydrogen 2.979 N/A ASN 71.A N VAL 64.A O no hydrogen 2.905 N/A ILE 73.A N THR 62.A O no hydrogen 2.859 N/A TYR 74.A OH GLU 4.A OE2 no hydrogen 2.488 N/A ALA 76.A N GLY 60.A O no hydrogen 3.221 N/A TYR 78.A N TRP 75.A O no hydrogen 3.196 N/A ASP 80.A N ALA 76.A O no hydrogen 3.095 N/A TRP 81.A N ARG 77.A O no hydrogen 2.844 N/A LEU 82.A N TYR 78.A O no hydrogen 2.813 N/A PHE 83.A N ASP 80.A O no hydrogen 3.232 N/A THR 84.A N ASP 80.A O no hydrogen 2.967 N/A THR 84.A OG1 ASP 80.A O no hydrogen 3.065 N/A THR 84.A OG1 ASP 80.A OD1 no hydrogen 2.772 N/A THR 85.A N TRP 81.A O no hydrogen 3.084 N/A THR 85.A OG1 TRP 81.A O no hydrogen 2.597 N/A THR 85.A OG1 ASP 110.A OD1 no hydrogen 2.486 N/A THR 85.A OG1 ASP 110.A OD2 no hydrogen 3.268 N/A LEU 88.A N THR 84.A O no hydrogen 2.915 N/A LEU 89.A N THR 85.A O no hydrogen 3.029 N/A LEU 90.A N PRO 86.A O no hydrogen 2.952 N/A ASP 91.A N LEU 87.A O no hydrogen 3.117 N/A LEU 92.A N LEU 88.A O no hydrogen 3.316 N/A ALA 93.A N LEU 89.A O no hydrogen 2.955 N/A LEU 94.A N LEU 90.A O no hydrogen 2.805 N/A LEU 95.A N ASP 91.A O no hydrogen 3.107 N/A VAL 96.A N LEU 92.A O no hydrogen 3.191 N/A ASP 97.A N LEU 94.A O no hydrogen 3.354 N/A ALA 98.A N ALA 93.A O no hydrogen 3.018 N/A ILE 103.A N ASP 99.A O no hydrogen 3.035 N/A LEU 104.A N GLN 100.A O no hydrogen 3.042 N/A ALA 105.A N GLY 101.A O no hydrogen 3.127 N/A LEU 106.A N THR 102.A O no hydrogen 2.858 N/A VAL 107.A N ILE 103.A O no hydrogen 2.855 N/A GLY 108.A N LEU 104.A O no hydrogen 2.979 N/A ALA 109.A N ALA 105.A O no hydrogen 2.875 N/A ASP 110.A N LEU 106.A O no hydrogen 2.878 N/A GLY 111.A N VAL 107.A O no hydrogen 2.822 N/A ILE 112.A N GLY 108.A O no hydrogen 3.069 N/A MET 113.A N ALA 109.A O no hydrogen 2.947 N/A ILE 114.A N ASP 110.A O no hydrogen 3.111 N/A GLY 115.A N GLY 111.A O no hydrogen 2.746 N/A THR 116.A N ILE 112.A O no hydrogen 2.790 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.616 N/A THR 116.A OG1 MET 113.A O no hydrogen 3.525 N/A GLY 117.A N MET 113.A O no hydrogen 3.109 N/A LEU 118.A N ILE 114.A O no hydrogen 2.890 N/A VAL 119.A N GLY 115.A O no hydrogen 3.032 N/A GLY 120.A N THR 116.A O no hydrogen 2.755 N/A ALA 121.A N GLY 117.A O no hydrogen 2.805 N/A LEU 122.A N LEU 118.A O no hydrogen 3.178 N/A LEU 122.A N VAL 119.A O no hydrogen 3.266 N/A THR 123.A N GLY 120.A O no hydrogen 3.293 N/A THR 123.A OG1 VAL 119.A O no hydrogen 2.583 N/A TYR 126.A OH GLY 190.A O no hydrogen 2.743 N/A ARG 129.A N VAL 125.A O no hydrogen 3.171 N/A ARG 129.A NE GLU 189.A O no hydrogen 2.797 N/A ARG 129.A NH1 ALA 121.A O no hydrogen 2.930 N/A ARG 129.A NH1 THR 123.A O no hydrogen 2.769 N/A ARG 129.A NH2 ALA 121.A O no hydrogen 2.852 N/A ARG 129.A NH2 GLU 189.A O no hydrogen 2.846 N/A PHE 130.A N SER 127.A O no hydrogen 3.138 N/A VAL 131.A N SER 127.A O no hydrogen 3.401 N/A TRP 132.A N TYR 128.A O no hydrogen 3.288 N/A TRP 133.A N ARG 129.A O no hydrogen 3.140 N/A TRP 133.A NE1 PRO 181.A O no hydrogen 2.806 N/A ALA 134.A N PHE 130.A O no hydrogen 2.954 N/A ILE 135.A N VAL 131.A O no hydrogen 3.070 N/A SER 136.A N TRP 132.A O no hydrogen 2.754 N/A SER 136.A OG MET 113.A O no hydrogen 2.514 N/A THR 137.A N TRP 133.A O no hydrogen 2.936 N/A THR 137.A OG1.A TRP 133.A O no hydrogen 2.779 N/A ALA 138.A N ALA 134.A O no hydrogen 2.892 N/A ALA 139.A N ILE 135.A O no hydrogen 3.148 N/A MET 140.A N SER 136.A O no hydrogen 3.010 N/A LEU 141.A N THR 137.A O no hydrogen 2.837 N/A TYR 142.A N ALA 138.A O no hydrogen 3.086 N/A ALA 143.A N ALA 139.A O no hydrogen 3.178 N/A LEU 144.A N MET 140.A O no hydrogen 2.936 N/A TYR 145.A N LEU 141.A O no hydrogen 2.969 N/A VAL 146.A N TYR 142.A O no hydrogen 2.932 N/A LEU 147.A N ALA 143.A O no hydrogen 2.821 N/A PHE 148.A N LEU 144.A O no hydrogen 2.942 N/A PHE 149.A N TYR 145.A O no hydrogen 2.760 N/A PHE 151.A N VAL 146.A O no hydrogen 2.832 N/A THR 152.A OG1 PHE 148.A O no hydrogen 2.684 N/A SER 153.A N PHE 149.A O no hydrogen 3.287 N/A SER 153.A OG.B PHE 149.A O no hydrogen 3.338 N/A LYS 154.A N GLY 150.A O no hydrogen 3.238 N/A LYS 154.A NZ ASP 99.A OD1 no hydrogen 2.846 N/A LYS 154.A NZ ASP 99.A OD2 no hydrogen 3.471 N/A ALA 155.A N PHE 151.A O no hydrogen 2.819 N/A GLU 156.A N SER 153.A O no hydrogen 3.118 N/A SER 157.A N LYS 154.A O no hydrogen 3.108 N/A SER 157.A OG.B LYS 154.A O no hydrogen 2.691 N/A MET 158.A N ALA 155.A O no hydrogen 3.118 N/A ARG 159.A NH2 ARG 222.A O no hydrogen 3.245 N/A ALA 163.A N ARG 159.A O no hydrogen 3.117 N/A SER 164.A N PRO 160.A O no hydrogen 2.898 N/A SER 164.A OG.B PRO 160.A O no hydrogen 2.889 N/A THR 165.A N GLU 161.A O no hydrogen 3.297 N/A THR 165.A OG1 GLU 161.A O no hydrogen 2.984 N/A THR 165.A OG1 GLU 161.A OE2 no hydrogen 3.045 N/A THR 165.A OG1 SER 221.A OG.B no hydrogen 2.878 N/A PHE 166.A N VAL 162.A O no hydrogen 2.918 N/A LYS 167.A N ALA 163.A O no hydrogen 2.812 N/A VAL 168.A N SER 164.A O no hydrogen 3.167 N/A LEU 169.A N THR 165.A O no hydrogen 3.051 N/A ARG 170.A N PHE 166.A O no hydrogen 2.629 N/A ARG 170.A NE ASN 171.A OD1 no hydrogen 2.927 N/A ARG 170.A NH1 THR 152.A OG1 no hydrogen 2.990 N/A ARG 170.A NH2 ASN 171.A OD1 no hydrogen 2.783 N/A ASN 171.A N LYS 167.A O no hydrogen 2.838 N/A VAL 172.A N VAL 168.A O no hydrogen 3.033 N/A THR 173.A N LEU 169.A O no hydrogen 3.023 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.740 N/A VAL 174.A N ARG 170.A O no hydrogen 2.842 N/A VAL 175.A N ASN 171.A O no hydrogen 3.129 N/A LEU 176.A N VAL 172.A O no hydrogen 3.005 N/A TRP 177.A N THR 173.A O no hydrogen 2.924 N/A SER 178.A N VAL 174.A O no hydrogen 3.230 N/A SER 178.A OG VAL 174.A O no hydrogen 3.127 N/A SER 178.A OG VAL 175.A O no hydrogen 3.086 N/A ALA 179.A N LEU 176.A O no hydrogen 3.307 N/A TYR 180.A N TRP 177.A O no hydrogen 3.205 N/A TYR 180.A OH ASP 207.A OD1 no hydrogen 2.607 N/A VAL 183.A N ALA 179.A O no hydrogen 3.076 N/A TRP 184.A N TYR 180.A O no hydrogen 3.060 N/A TRP 184.A NE1 TYR 78.A OH no hydrogen 2.738 N/A LEU 185.A N PRO 181.A O no hydrogen 3.057 N/A ILE 186.A N VAL 182.A O no hydrogen 3.139 N/A GLY 187.A N TRP 184.A O no hydrogen 3.339 N/A SER 188.A N GLU 199.A OE1 no hydrogen 2.901 N/A SER 188.A OG.A GLU 199.A OE1 no hydrogen 2.327 N/A SER 188.A OG.B GLU 199.A OE1 no hydrogen 2.506 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.760 N/A GLY 190.A N GLY 187.A O no hydrogen 3.116 N/A ALA 191.A N LEU 185.A O no hydrogen 2.625 N/A GLY 192.A N GLY 187.A O no hydrogen 2.850 N/A ILE 193.A N ILE 186.A O no hydrogen 2.910 N/A VAL 194.A N ILE 186.A O no hydrogen 2.814 N/A GLU 199.A N PRO 195.A O no hydrogen 2.949 N/A THR 200.A N LEU 196.A O no hydrogen 2.968 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.603 N/A LEU 201.A N ASN 197.A O no hydrogen 3.062 N/A LEU 202.A N ILE 198.A O no hydrogen 2.854 N/A PHE 203.A N GLU 199.A O no hydrogen 2.887 N/A MET 204.A N THR 200.A O no hydrogen 2.991 N/A VAL 205.A N LEU 201.A O no hydrogen 3.160 N/A LEU 206.A N LEU 202.A O no hydrogen 3.004 N/A ASP 207.A N PHE 203.A O no hydrogen 2.717 N/A VAL 208.A N MET 204.A O no hydrogen 2.921 N/A SER 209.A N VAL 205.A O no hydrogen 3.208 N/A SER 209.A OG VAL 205.A O no hydrogen 2.695 N/A ALA 210.A N LEU 206.A O no hydrogen 2.915 N/A LYS 211.A N VAL 208.A O no hydrogen 3.272 N/A VAL 212.A N VAL 208.A O no hydrogen 2.715 N/A GLY 213.A N VAL 208.A O no hydrogen 3.096 N/A PHE 214.A N SER 209.A O no hydrogen 2.933 N/A GLY 215.A N LYS 211.A O no hydrogen 2.974 N/A LEU 216.A N VAL 212.A O no hydrogen 2.729 N/A ILE 217.A N GLY 213.A O no hydrogen 3.090 N/A LEU 218.A N PHE 214.A O no hydrogen 2.987 N/A LEU 219.A N GLY 215.A O no hydrogen 2.767 N/A SER 221.A N LEU 218.A O no hydrogen 3.091 N/A SER 221.A OG.A LEU 218.A O no hydrogen 2.639 N/A SER 221.A OG.B GLU 161.A OE2 no hydrogen 2.667 N/A SER 221.A OG.B THR 165.A OG1 no hydrogen 2.878 N/A ALA 223.A N SER 221.A OG.B no hydrogen 3.020 N/A PHE 225.A N ARG 222.A O no hydrogen 3.236 N/A GLY 226.A N ASP 31.A OD2 no hydrogen 2.694 N/A