Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kan_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 11.A NE1 ALA 4.A O no hydrogen 3.272 N/A MET 14.A N GLU 12.A O no hydrogen 2.909 N/A TRP 18.A N THR 38.A OG1 no hydrogen 2.878 N/A TYR 19.A N THR 38.A OG1 no hydrogen 3.352 N/A TYR 19.A OH THR 108.A O no hydrogen 2.714 N/A PHE 21.A N ALA 32.A O no hydrogen 2.648 N/A ARG 22.A NE GLN 31.A OE1 no hydrogen 2.821 N/A ARG 22.A NH2 GLN 31.A OE1 no hydrogen 2.786 N/A HIS 23.A N GLY 30.A O no hydrogen 3.022 N/A ASN 25.A N GLY 28.A O no hydrogen 3.356 N/A ASN 25.A ND2 CYS 141.A O no hydrogen 3.105 N/A ASN 25.A ND2 ASN 143.A OD1 no hydrogen 3.085 N/A GLU 27.A N ASN 25.A OD1 no hydrogen 2.889 N/A GLY 28.A N ASN 25.A O no hydrogen 3.048 N/A GLY 30.A N HIS 23.A O no hydrogen 3.261 N/A GLN 31.A NE2 GLY 13.A O no hydrogen 3.043 N/A ALA 32.A N PHE 21.A O no hydrogen 2.973 N/A ASP 34.A N TYR 19.A O no hydrogen 2.610 N/A SER 37.A N ASP 34.A OD1 no hydrogen 3.067 N/A SER 37.A OG ASP 34.A O no hydrogen 3.303 N/A SER 37.A OG ASP 34.A OD1 no hydrogen 2.870 N/A THR 38.A N ASP 34.A O no hydrogen 3.429 N/A THR 38.A OG1 ASP 34.A O no hydrogen 2.790 N/A GLN 39.A N LEU 35.A O no hydrogen 3.036 N/A GLN 39.A NE2 ASP 43.A OD1 no hydrogen 2.636 N/A ALA 40.A N LYS 36.A O no hydrogen 2.988 N/A ALA 41.A N SER 37.A O no hydrogen 3.248 N/A ILE 42.A N THR 38.A O no hydrogen 3.174 N/A ASP 43.A N GLN 39.A O no hydrogen 2.739 N/A GLN 44.A N ALA 40.A O no hydrogen 3.270 N/A ILE 45.A N ALA 41.A O no hydrogen 3.111 N/A ASN 46.A N ILE 42.A O no hydrogen 2.825 N/A GLY 47.A N ASP 43.A O no hydrogen 3.086 N/A LYS 48.A N GLN 44.A O no hydrogen 3.198 N/A LYS 48.A NZ GLU 100.A O no hydrogen 3.054 N/A LYS 48.A NZ HIS 103.A ND1 no hydrogen 2.964 N/A LYS 48.A NZ THR 104.A OG1 no hydrogen 2.790 N/A LEU 49.A N ILE 45.A O no hydrogen 2.946 N/A ASN 50.A N ASN 46.A O no hydrogen 2.865 N/A ARG 51.A N GLY 47.A O no hydrogen 3.301 N/A VAL 52.A N LYS 48.A O no hydrogen 3.151 N/A GLU 54.A N ARG 51.A O no hydrogen 3.328 N/A GLN 62.A NE2 PHE 60.A O no hydrogen 3.604 N/A LYS 65.A NZ GLN 62.A OE1 no hydrogen 3.434 N/A LYS 65.A NZ GLU 82.A OE1 no hydrogen 3.353 N/A LYS 65.A NZ GLU 82.A OE2 no hydrogen 3.490 N/A GLN 75.A NE2 GLU 69.A O no hydrogen 2.830 N/A GLN 75.A NE2 GLU 71.A OE1 no hydrogen 2.903 N/A ASP 76.A N GLY 72.A O no hydrogen 3.159 N/A LEU 77.A N ARG 73.A O no hydrogen 3.257 N/A GLU 78.A N ILE 74.A O no hydrogen 3.001 N/A LYS 79.A N GLN 75.A O no hydrogen 2.953 N/A TYR 80.A N ASP 76.A O no hydrogen 2.979 N/A VAL 81.A N LEU 77.A O no hydrogen 2.835 N/A GLU 82.A N GLU 78.A O no hydrogen 3.289 N/A ASP 83.A N LYS 79.A O no hydrogen 2.905 N/A THR 84.A N TYR 80.A O no hydrogen 2.837 N/A THR 84.A OG1 TYR 80.A O no hydrogen 2.746 N/A LYS 85.A N VAL 81.A O no hydrogen 3.026 N/A ILE 86.A N GLU 82.A O no hydrogen 2.989 N/A ASP 87.A N ASP 83.A O no hydrogen 3.224 N/A LEU 88.A N THR 84.A O no hydrogen 3.116 N/A TRP 89.A N LYS 85.A O no hydrogen 3.095 N/A SER 90.A N ILE 86.A O no hydrogen 2.875 N/A SER 90.A OG ILE 86.A O no hydrogen 2.829 N/A TYR 91.A N ASP 87.A O no hydrogen 3.107 N/A ASN 92.A N LEU 88.A O no hydrogen 3.126 N/A ALA 93.A N TRP 89.A O no hydrogen 2.960 N/A GLU 94.A N SER 90.A O no hydrogen 3.153 N/A LEU 95.A N TYR 91.A O no hydrogen 2.965 N/A LEU 96.A N ASN 92.A O no hydrogen 3.005 N/A VAL 97.A N ALA 93.A O no hydrogen 3.244 N/A ALA 98.A N GLU 94.A O no hydrogen 3.304 N/A LEU 99.A N LEU 95.A O no hydrogen 2.981 N/A GLU 100.A N LEU 96.A O no hydrogen 2.887 N/A ASN 101.A N VAL 97.A O no hydrogen 2.856 N/A GLN 102.A N ALA 98.A O no hydrogen 3.120 N/A GLN 102.A NE2 GLN 102.A O no hydrogen 3.546 N/A GLN 102.A NE2 ASP 106.A OD1 no hydrogen 3.547 N/A HIS 103.A N LEU 99.A O no hydrogen 3.144 N/A THR 104.A N GLU 100.A O no hydrogen 2.904 N/A THR 104.A OG1 GLU 100.A O no hydrogen 2.808 N/A ILE 105.A N ASN 101.A O no hydrogen 2.980 N/A ASP 106.A N GLN 102.A O no hydrogen 3.041 N/A LEU 107.A N HIS 103.A O no hydrogen 2.865 N/A THR 108.A N THR 104.A O no hydrogen 3.154 N/A THR 108.A OG1 THR 104.A O no hydrogen 2.838 N/A THR 108.A OG1 ILE 105.A O no hydrogen 2.888 N/A ASP 109.A N ILE 105.A O no hydrogen 3.248 N/A SER 110.A N ASP 106.A O no hydrogen 2.811 N/A GLU 111.A N LEU 107.A O no hydrogen 3.018 N/A MET 112.A N THR 108.A O no hydrogen 3.412 N/A ASN 113.A N ASP 109.A O no hydrogen 3.288 N/A LYS 114.A N SER 110.A O no hydrogen 2.967 N/A LEU 115.A N GLU 111.A O no hydrogen 3.304 N/A PHE 116.A N MET 112.A O no hydrogen 3.090 N/A GLU 117.A N ASN 113.A O no hydrogen 2.897 N/A LYS 118.A N LYS 114.A O no hydrogen 2.971 N/A THR 119.A N LEU 115.A O no hydrogen 3.169 N/A THR 119.A OG1 LEU 115.A O no hydrogen 3.007 N/A ARG 120.A N PHE 116.A O no hydrogen 2.925 N/A ARG 120.A NH1 GLU 117.A OE1 no hydrogen 3.273 N/A ARG 121.A N GLU 117.A O no hydrogen 2.867 N/A GLN 122.A N LYS 118.A O no hydrogen 3.269 N/A GLN 122.A NE2 ILE 149.A O no hydrogen 2.784 N/A LEU 123.A N THR 119.A O no hydrogen 3.144 N/A ARG 124.A N ARG 120.A O no hydrogen 3.336 N/A ASN 126.A N LEU 123.A O no hydrogen 2.874 N/A ASN 126.A ND2 TYR 154.A OH no hydrogen 2.855 N/A ASN 126.A ND2 HIS 156.A O no hydrogen 2.899 N/A GLU 128.A N LYS 136.A O no hydrogen 3.151 N/A MET 130.A N CYS 134.A O no hydrogen 3.044 N/A GLY 131.A N ASP 129.A OD1 no hydrogen 2.993 N/A ASN 132.A ND2 ILE 3.A O no hydrogen 3.696 N/A CYS 134.A SG ILE 3.A O no hydrogen 3.880 N/A LYS 136.A N GLU 128.A O no hydrogen 2.863 N/A TYR 138.A N ASN 126.A O no hydrogen 2.969 N/A HIS 139.A NE2 TYR 154.A OH no hydrogen 2.727 N/A LYS 140.A N GLU 162.A OE1 no hydrogen 3.175 N/A CYS 141.A SG ASP 142.A O no hydrogen 3.911 N/A ASN 143.A N GLU 27.A OE2 no hydrogen 2.951 N/A CYS 145.A N ASP 142.A OD1 no hydrogen 3.044 N/A ILE 146.A N ASP 142.A O no hydrogen 3.072 N/A GLU 147.A N ASN 143.A O no hydrogen 2.967 N/A SER 148.A N ALA 144.A O no hydrogen 3.121 N/A SER 148.A OG CYS 145.A O no hydrogen 2.536 N/A ILE 149.A N CYS 145.A O no hydrogen 3.291 N/A ARG 150.A N ILE 146.A O no hydrogen 2.980 N/A ASN 151.A N GLU 147.A O no hydrogen 2.861 N/A GLY 152.A N ILE 149.A O no hydrogen 3.305 N/A THR 153.A N SER 148.A O no hydrogen 2.749 N/A THR 153.A OG1 SER 148.A O no hydrogen 3.518 N/A THR 153.A OG1 ASN 151.A OD1 no hydrogen 2.790 N/A TYR 154.A OH HIS 139.A NE2 no hydrogen 2.727 N/A VAL 158.A N ASP 155.A O no hydrogen 3.318 N/A TYR 159.A N HIS 156.A O no hydrogen 3.113 N/A ALA 163.A N TYR 159.A O no hydrogen 2.939 N/A LEU 164.A N ARG 160.A O no hydrogen 2.798 N/A ASN 165.A N ASP 161.A O no hydrogen 3.221 N/A ASN 166.A N GLU 162.A O no hydrogen 3.273 N/A ASN 166.A ND2 TYR 138.A O no hydrogen 2.911 N/A ARG 167.A N ALA 163.A O no hydrogen 2.883 N/A ARG 167.A NE GLU 128.A OE1 no hydrogen 2.827 N/A ARG 167.A NH1 GLU 125.A O no hydrogen 2.724 N/A ARG 167.A NH1 GLU 125.A OE1 no hydrogen 3.270 N/A ARG 167.A NH2 GLU 128.A OE1 no hydrogen 3.454 N/A PHE 168.A N LEU 164.A O no hydrogen 3.146 N/A