Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 9.A OH TRP 84.A O no hydrogen 2.624 N/A TYR 11.A OH HIS 27.A ND1 no hydrogen 2.858 N/A ALA 13.A N ALA 10.A O no hydrogen 2.965 N/A GLU 15.A N ASP 12.A O no hydrogen 3.466 N/A ILE 18.A N LEU 14.A O no hydrogen 3.167 N/A ALA 20.A N GLU 15.A OE2 no hydrogen 2.874 N/A THR 22.A N ASP 19.A OD2 no hydrogen 3.010 N/A THR 22.A OG1 ASP 19.A OD1 no hydrogen 3.004 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.707 N/A MET 23.A N ASP 19.A O no hydrogen 3.107 N/A GLU 24.A N ALA 20.A O no hydrogen 3.085 N/A ILE 25.A N ARG 21.A O no hydrogen 3.057 N/A HIS 26.A N THR 22.A O no hydrogen 2.709 N/A HIS 27.A N MET 23.A O no hydrogen 2.987 N/A HIS 27.A ND1 TYR 11.A OH no hydrogen 2.858 N/A HIS 27.A NE2 PRO 5.A O no hydrogen 2.700 N/A THR 28.A N GLU 24.A O no hydrogen 2.868 N/A THR 28.A OG1 GLU 24.A O no hydrogen 2.823 N/A LYS 29.A N ILE 25.A O no hydrogen 2.955 N/A HIS 30.A N ILE 25.A O no hydrogen 3.116 N/A HIS 31.A N HIS 26.A O no hydrogen 2.963 N/A HIS 31.A NE2 HIS 77.A ND1 no hydrogen 2.930 N/A GLN 32.A N HIS 27.A O no hydrogen 3.268 N/A GLN 32.A NE2 GLN 32.A O no hydrogen 3.494 N/A GLN 32.A NE2 ASP 36.A OD1 no hydrogen 2.871 N/A THR 33.A N LYS 29.A O no hydrogen 3.101 N/A THR 33.A OG1 LYS 29.A O no hydrogen 2.862 N/A TYR 34.A N HIS 30.A O no hydrogen 3.346 N/A VAL 35.A N HIS 31.A O no hydrogen 3.184 N/A ASP 36.A N GLN 32.A O no hydrogen 2.943 N/A ASN 37.A N THR 33.A O no hydrogen 2.982 N/A ASN 37.A ND2 ASN 73.A OD1 no hydrogen 3.514 N/A ALA 38.A N TYR 34.A O no hydrogen 2.939 N/A ASN 39.A N VAL 35.A O no hydrogen 2.945 N/A LYS 40.A N ASP 36.A O no hydrogen 3.097 N/A ALA 41.A N ASN 37.A O no hydrogen 3.154 N/A LEU 42.A N ALA 38.A O no hydrogen 2.927 N/A LEU 42.A N ASN 39.A O no hydrogen 3.206 N/A THR 45.A N LEU 42.A O no hydrogen 3.187 N/A THR 45.A OG1 LEU 42.A O no hydrogen 2.793 N/A PHE 47.A N THR 45.A OG1 no hydrogen 3.169 N/A ALA 48.A N THR 45.A O no hydrogen 3.497 N/A LEU 50.A N PHE 47.A O no hydrogen 3.262 N/A GLN 54.A N PRO 51.A O no hydrogen 3.045 N/A LEU 55.A N PRO 51.A O no hydrogen 3.081 N/A ILE 56.A N VAL 52.A O no hydrogen 3.114 N/A GLN 57.A N GLN 54.A O no hydrogen 3.142 N/A GLN 57.A NE2 GLU 53.A O no hydrogen 2.800 N/A GLN 58.A N LEU 55.A O no hydrogen 2.963 N/A ARG 61.A N GLN 58.A O no hydrogen 2.920 N/A LYS 66.A N PRO 63.A O no hydrogen 2.988 N/A LYS 66.A NZ ALA 41.A O no hydrogen 2.773 N/A LEU 70.A N LYS 66.A O no hydrogen 3.070 N/A ARG 71.A N LYS 67.A O no hydrogen 2.920 N/A ARG 71.A NE ASP 146.A OD1 no hydrogen 2.719 N/A ARG 71.A NH2 ASP 146.A OD1 no hydrogen 3.566 N/A ARG 71.A NH2 ASP 146.A OD2 no hydrogen 2.848 N/A ASN 72.A N GLY 68.A O no hydrogen 3.062 N/A ASN 73.A N ALA 69.A O no hydrogen 2.847 N/A ASN 73.A ND2 ALA 69.A O no hydrogen 3.025 N/A ALA 74.A N LEU 70.A O no hydrogen 2.805 N/A GLY 75.A N LEU 70.A O no hydrogen 3.248 N/A GLY 75.A N ARG 71.A O no hydrogen 3.197 N/A GLY 76.A N ASN 72.A O no hydrogen 3.086 N/A HIS 77.A N ASN 73.A O no hydrogen 3.010 N/A HIS 77.A ND1 HIS 31.A NE2 no hydrogen 2.930 N/A ALA 78.A N ALA 74.A O no hydrogen 2.882 N/A ASN 79.A N GLY 75.A O no hydrogen 2.890 N/A ASN 79.A ND2 GLN 145.A O no hydrogen 2.971 N/A ASN 79.A ND2 GLN 145.A OE1 no hydrogen 3.237 N/A ASN 79.A ND2 ASP 146.A O no hydrogen 3.522 N/A HIS 80.A N GLY 76.A O no hydrogen 2.994 N/A HIS 80.A ND1 GLY 76.A O no hydrogen 2.715 N/A SER 81.A N HIS 77.A O no hydrogen 2.917 N/A SER 81.A OG HIS 77.A O no hydrogen 2.789 N/A MET 82.A N ALA 78.A O no hydrogen 3.151 N/A PHE 83.A N ASN 79.A O no hydrogen 3.033 N/A TRP 84.A N HIS 80.A O no hydrogen 3.111 N/A TRP 84.A NE1 HIS 31.A ND1 no hydrogen 2.933 N/A ILE 86.A N MET 82.A O no hydrogen 3.093 N/A ILE 86.A N PHE 83.A O no hydrogen 3.298 N/A GLY 88.A N VAL 190.A O no hydrogen 2.805 N/A ASN 91.A ND2 TRP 188.A O no hydrogen 3.046 N/A ASN 91.A ND2 VAL 191.A O no hydrogen 2.686 N/A LEU 98.A N SER 94.A O no hydrogen 3.204 N/A ASP 99.A N GLY 95.A O no hydrogen 3.156 N/A ALA 100.A N GLU 96.A O no hydrogen 2.959 N/A ILE 101.A N LEU 97.A O no hydrogen 2.904 N/A ASN 102.A N LEU 98.A O no hydrogen 2.879 N/A SER 103.A N ASP 99.A O no hydrogen 2.919 N/A SER 103.A OG.B ASP 99.A O no hydrogen 3.064 N/A ALA 104.A N ALA 100.A O no hydrogen 3.007 N/A PHE 105.A N ILE 101.A O no hydrogen 2.787 N/A GLY 106.A N ASN 102.A O no hydrogen 2.862 N/A ALA 110.A N SER 107.A OG no hydrogen 3.000 N/A PHE 111.A N SER 107.A O no hydrogen 2.962 N/A LYS 112.A N PHE 108.A O no hydrogen 2.919 N/A GLN 113.A N.B ASP 109.A O no hydrogen 3.192 N/A GLN 113.A N.C ASP 109.A O no hydrogen 3.218 N/A GLN 113.A N.C ALA 110.A O no hydrogen 3.405 N/A GLN 113.A O.B LYS 112.A O no hydrogen 3.234 N/A GLN 113.A O.C LYS 112.A O no hydrogen 3.476 N/A LYS 114.A N ALA 110.A O no hydrogen 3.151 N/A PHE 115.A N PHE 111.A O no hydrogen 2.860 N/A GLU 116.A N LYS 112.A O no hydrogen 2.846 N/A ASP 117.A N GLN 113.A O.B no hydrogen 2.870 N/A ASP 117.A N GLN 113.A O.C no hydrogen 2.931 N/A ALA 118.A N LYS 114.A O no hydrogen 3.103 N/A ALA 119.A N PHE 115.A O no hydrogen 3.028 N/A LYS 120.A N GLU 116.A O no hydrogen 2.755 N/A THR 121.A N ASP 117.A O no hydrogen 3.043 N/A THR 121.A OG1 ASP 117.A O no hydrogen 2.946 N/A THR 121.A OG1 ALA 118.A O no hydrogen 3.467 N/A ARG 122.A NE SER 141.A OG no hydrogen 3.135 N/A ARG 122.A NH2 SER 141.A OG no hydrogen 2.980 N/A TRP 127.A N THR 142.A O no hydrogen 3.118 N/A TRP 127.A NE1 GLN 145.A OE1 no hydrogen 2.964 N/A ALA 128.A N VAL 165.A O no hydrogen 3.085 N/A TRP 129.A N VAL 140.A O no hydrogen 2.801 N/A TRP 129.A NE1 THR 142.A OG1 no hydrogen 2.930 N/A LEU 130.A N LEU 163.A O no hydrogen 2.954 N/A VAL 131.A N ASP 138.A O no hydrogen 2.881 N/A VAL 132.A N THR 160.A O no hydrogen 2.876 N/A LYS 133.A N LYS 136.A O no hydrogen 2.840 N/A LYS 133.A NZ SER 158.A OG no hydrogen 3.175 N/A LYS 136.A N LYS 133.A O no hydrogen 3.263 N/A ASP 138.A N VAL 131.A O no hydrogen 2.976 N/A VAL 139.A N ASP 138.A OD1 no hydrogen 2.892 N/A VAL 140.A N TRP 129.A O no hydrogen 3.052 N/A THR 142.A N TRP 127.A O no hydrogen 2.985 N/A THR 142.A OG1 ASP 146.A O no hydrogen 2.857 N/A ASN 144.A N SER 125.A O no hydrogen 2.904 N/A GLN 145.A NE2 TYR 34.A OH no hydrogen 3.008 N/A ASP 146.A N ALA 143.A O no hydrogen 2.983 N/A ASN 147.A ND2 ASN 79.A OD1 no hydrogen 2.885 N/A LEU 149.A N ASN 147.A OD1 no hydrogen 2.808 N/A MET 150.A N ASN 147.A O no hydrogen 2.889 N/A GLY 151.A N PRO 148.A O no hydrogen 3.082 N/A ILE 154.A N GLY 151.A O no hydrogen 3.198 N/A ALA 155.A N GLY 151.A O no hydrogen 2.864 N/A GLY 156.A N GLU 152.A O no hydrogen 2.964 N/A SER 158.A OG GLU 152.A OE2 no hydrogen 2.656 N/A THR 160.A N VAL 132.A O no hydrogen 2.988 N/A ILE 162.A N LEU 130.A O no hydrogen 2.902 N/A VAL 165.A N ALA 128.A O no hydrogen 2.860 N/A VAL 167.A N GLY 126.A O no hydrogen 2.873 N/A TRP 168.A N ASP 166.A OD1 no hydrogen 3.155 N/A TRP 168.A NE1 ASN 144.A O no hydrogen 2.801 N/A ALA 171.A N TRP 168.A O no hydrogen 2.970 N/A TYR 172.A N GLU 169.A O no hydrogen 3.110 N/A TYR 173.A N GLU 169.A O no hydrogen 2.854 N/A ASN 175.A ND2 PRO 16.A O no hydrogen 3.588 N/A TYR 176.A N TYR 172.A O no hydrogen 2.853 N/A TYR 176.A OH HIS 17.A O no hydrogen 2.593 N/A GLN 177.A N TYR 173.A O no hydrogen 2.826 N/A GLN 177.A NE2 TYR 173.A O no hydrogen 3.283 N/A ARG 179.A N TYR 176.A O no hydrogen 2.984 N/A ARG 179.A NH1 ASP 182.A OD2 no hydrogen 2.869 N/A ARG 179.A NH2 GLN 177.A OE1 no hydrogen 3.351 N/A ARG 180.A N ASN 178.A O no hydrogen 2.933 N/A ARG 180.A NE TYR 172.A OH no hydrogen 3.014 N/A ARG 180.A NH1 ALA 119.A O no hydrogen 2.787 N/A ARG 180.A NH1 ARG 122.A O no hydrogen 2.808 N/A ARG 180.A NH2 ARG 122.A O no hydrogen 3.567 N/A ARG 180.A NH2 GLY 124.A O no hydrogen 3.226 N/A ASP 182.A N ARG 179.A O no hydrogen 3.100 N/A TYR 183.A N ARG 179.A O no hydrogen 3.283 N/A TYR 183.A OH ASP 166.A O no hydrogen 2.826 N/A LEU 184.A N ARG 180.A O no hydrogen 3.003 N/A ALA 185.A N PRO 181.A O no hydrogen 3.002 N/A ALA 186.A N ASP 182.A O no hydrogen 3.075 N/A PHE 187.A N TYR 183.A O no hydrogen 2.911 N/A TRP 188.A NE1 GLU 116.A OE2 no hydrogen 2.693 N/A ASN 189.A N ALA 186.A O no hydrogen 2.961 N/A ASN 189.A ND2 ALA 186.A O no hydrogen 3.377 N/A VAL 190.A N PHE 187.A O no hydrogen 2.953 N/A ASN 192.A N ILE 86.A O no hydrogen 2.844 N/A GLU 195.A N ASN 192.A O no hydrogen 3.135 N/A GLU 195.A N ASN 192.A OD1 no hydrogen 3.317 N/A VAL 196.A N ASN 192.A O no hydrogen 3.216 N/A SER 197.A N TRP 193.A O no hydrogen 2.850 N/A SER 197.A OG TRP 193.A O no hydrogen 3.200 N/A LYS 198.A N ASP 194.A O no hydrogen 3.086 N/A ARG 199.A N GLU 195.A O no hydrogen 3.039 N/A ARG 199.A NE GLU 195.A OE2 no hydrogen 2.879 N/A ARG 199.A NH2 GLU 195.A OE2 no hydrogen 3.393 N/A TYR 200.A N VAL 196.A O no hydrogen 2.883 N/A ALA 201.A N SER 197.A O no hydrogen 3.041 N/A ALA 202.A N LYS 198.A O no hydrogen 3.270 N/A ALA 203.A N ARG 199.A O no hydrogen 3.061 N/A ALA 203.A N TYR 200.A O no hydrogen 3.297 N/A LYS 204.A N TYR 200.A O no hydrogen 3.129 N/A