Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3klc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ILE 233.A O no hydrogen 3.395 N/A LYS 2.A NZ GLN 32.A O no hydrogen 3.236 N/A VAL 3.A N ALA 231.A O no hydrogen 2.975 N/A ALA 4.A N LEU 36.A O no hydrogen 2.671 N/A TYR 5.A N GLY 229.A O no hydrogen 2.907 N/A TYR 5.A OH SER 219.A OG no hydrogen 2.867 N/A VAL 6.A N VAL 38.A O no hydrogen 2.578 N/A GLN 7.A N GLU 227.A O no hydrogen 2.616 N/A GLN 7.A NE2 SER 222.A O no hydrogen 2.901 N/A GLN 7.A NE2 GLU 225.A O no hydrogen 2.858 N/A ASN 9.A N GLU 226.A OE2 no hydrogen 2.530 N/A GLN 11.A N ASN 18.A OD1 no hydrogen 2.680 N/A GLN 11.A NE2 ASN 9.A O no hydrogen 3.171 N/A LEU 13.A N THR 45.A O no hydrogen 2.859 N/A GLU 14.A N GLN 11.A O no hydrogen 3.227 N/A ASN 18.A N GLU 14.A O no hydrogen 3.175 N/A ASN 18.A ND2 GLN 11.A O no hydrogen 2.947 N/A ASN 18.A ND2 ASP 44.A O no hydrogen 2.455 N/A TYR 19.A N PRO 15.A O no hydrogen 2.732 N/A TYR 19.A OH THR 67.A OG1 no hydrogen 2.667 N/A SER 20.A N ASP 16.A O no hydrogen 3.175 N/A LYS 21.A N LYS 17.A O no hydrogen 3.107 N/A LYS 21.A NZ GLU 226.A OE1 no hydrogen 2.861 N/A LYS 21.A NZ GLU 226.A OE2 no hydrogen 3.562 N/A ALA 22.A N ASN 18.A O no hydrogen 2.741 N/A GLU 23.A N TYR 19.A O no hydrogen 2.730 N/A LYS 24.A N SER 20.A O no hydrogen 3.151 N/A LYS 24.A NZ GLU 28.A OE2 no hydrogen 3.254 N/A LEU 25.A N LYS 21.A O no hydrogen 3.176 N/A ILE 26.A N ALA 22.A O no hydrogen 2.861 N/A LYS 27.A N GLU 23.A O no hydrogen 2.849 N/A LYS 27.A NZ GLU 23.A OE2 no hydrogen 2.624 N/A GLU 28.A N LYS 24.A O no hydrogen 2.977 N/A ALA 29.A N LEU 25.A O no hydrogen 2.886 N/A SER 30.A N ILE 26.A O no hydrogen 2.773 N/A SER 30.A OG THR 78.A O no hydrogen 3.341 N/A LYS 31.A N LYS 27.A O no hydrogen 2.947 N/A GLN 32.A N ALA 29.A O no hydrogen 3.101 N/A GLN 32.A NE2 GLU 28.A O no hydrogen 3.649 N/A GLY 33.A N SER 30.A O no hydrogen 3.028 N/A ALA 34.A N ALA 29.A O no hydrogen 3.207 N/A GLN 35.A N LYS 2.A O no hydrogen 2.743 N/A LEU 36.A N LYS 2.A O no hydrogen 3.275 N/A VAL 37.A N TYR 81.A O no hydrogen 2.801 N/A VAL 38.A N ALA 4.A O no hydrogen 2.921 N/A LEU 39.A N VAL 83.A O no hydrogen 2.678 N/A GLU 41.A N ALA 168.A O no hydrogen 3.269 N/A PHE 43.A N GLY 85.A O no hydrogen 2.853 N/A THR 45.A N ASP 44.A OD1 no hydrogen 2.868 N/A THR 45.A OG1 GLY 46.A O no hydrogen 2.961 N/A GLY 46.A N LEU 42.A O no hydrogen 3.138 N/A TYR 47.A N GLU 199.A OE2 no hydrogen 2.556 N/A TYR 47.A OH GLU 119.A OE2 no hydrogen 2.786 N/A ASN 48.A N GLU 199.A OE2 no hydrogen 2.584 N/A ASN 48.A ND2 GLU 199.A O no hydrogen 2.770 N/A PHE 49.A N TYR 47.A O no hydrogen 2.964 N/A GLU 50.A N GLU 54.A OE1 no hydrogen 2.729 N/A THR 51.A N GLU 54.A OE1 no hydrogen 3.480 N/A ARG 52.A NE PHE 122.A O no hydrogen 3.268 N/A ARG 52.A NH1 ASP 92.A O no hydrogen 2.548 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.249 N/A VAL 55.A N ARG 52.A O no hydrogen 3.143 N/A PHE 56.A N ARG 52.A O no hydrogen 2.795 N/A GLU 57.A N GLU 53.A O no hydrogen 2.820 N/A ILE 58.A N VAL 55.A O no hydrogen 3.072 N/A ALA 59.A N PHE 56.A O no hydrogen 3.168 N/A GLN 60.A NE2 ILE 58.A O no hydrogen 2.919 N/A LYS 61.A NZ ASP 90.A OD1 no hydrogen 3.507 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.742 N/A GLY 65.A N LYS 61.A O no hydrogen 2.935 N/A GLU 66.A N GLN 60.A OE1 no hydrogen 3.007 N/A THR 67.A OG1 TYR 19.A OH no hydrogen 2.667 N/A THR 67.A OG1 ASP 44.A OD2 no hydrogen 2.572 N/A THR 69.A N GLY 65.A O no hydrogen 3.198 N/A THR 69.A OG1 GLY 65.A O no hydrogen 3.319 N/A THR 69.A OG1 GLU 66.A O no hydrogen 3.499 N/A PHE 70.A N GLU 66.A O no hydrogen 3.103 N/A LEU 71.A N THR 67.A O no hydrogen 2.967 N/A MET 72.A N THR 68.A O no hydrogen 2.757 N/A ASP 73.A N THR 69.A O no hydrogen 2.879 N/A VAL 74.A N PHE 70.A O no hydrogen 2.952 N/A ALA 75.A N LEU 71.A O no hydrogen 2.832 N/A ARG 76.A N MET 72.A O no hydrogen 2.705 N/A ARG 76.A NE ASP 77.A OD1 no hydrogen 3.326 N/A ARG 76.A NH1 ASP 73.A OD2 no hydrogen 2.916 N/A ARG 76.A NH2 ASP 77.A OD1 no hydrogen 3.034 N/A ASP 77.A N ASP 73.A O no hydrogen 2.945 N/A THR 78.A N VAL 74.A O no hydrogen 2.854 N/A THR 78.A OG1 VAL 74.A O no hydrogen 2.624 N/A GLY 79.A N ALA 75.A O no hydrogen 2.721 N/A TYR 81.A N GLN 35.A O no hydrogen 2.769 N/A ILE 82.A N VAL 101.A O no hydrogen 2.710 N/A VAL 83.A N VAL 37.A O no hydrogen 2.766 N/A ALA 84.A N VAL 99.A O no hydrogen 2.826 N/A GLY 85.A N PRO 40.A O no hydrogen 2.838 N/A THR 86.A N SER 97.A O no hydrogen 2.709 N/A THR 86.A OG1 ASP 44.A OD1 no hydrogen 3.547 N/A THR 86.A OG1 ASP 44.A OD2 no hydrogen 2.623 N/A THR 86.A OG1 ALA 87.A O no hydrogen 3.338 N/A ALA 87.A N ASP 44.A OD1 no hydrogen 3.260 N/A GLU 88.A N TYR 95.A O no hydrogen 2.843 N/A LYS 89.A N GLN 60.A O no hydrogen 2.773 N/A LYS 89.A NZ PHE 56.A O no hydrogen 2.667 N/A ASP 90.A N VAL 93.A O no hydrogen 2.711 N/A VAL 93.A N ASP 90.A O no hydrogen 3.237 N/A TYR 95.A N GLU 88.A O no hydrogen 2.900 N/A TYR 95.A OH ASP 127.A OD2 no hydrogen 3.015 N/A ASN 96.A ND2 GLU 41.A OE1 no hydrogen 2.662 N/A SER 97.A N THR 86.A O no hydrogen 2.958 N/A SER 97.A OG GLU 88.A OE2 no hydrogen 2.777 N/A ALA 98.A N TYR 110.A O no hydrogen 2.722 N/A VAL 99.A N ALA 84.A O no hydrogen 2.831 N/A VAL 100.A N GLY 108.A O no hydrogen 2.564 N/A VAL 101.A N ILE 82.A O no hydrogen 2.773 N/A GLY 102.A N GLY 105.A O no hydrogen 2.723 N/A GLY 105.A N GLY 102.A O no hydrogen 2.856 N/A ILE 107.A N VAL 100.A O no hydrogen 2.869 N/A GLY 108.A N VAL 100.A O no hydrogen 3.156 N/A LYS 109.A NZ GLU 88.A OE1 no hydrogen 2.742 N/A TYR 110.A N ALA 98.A O no hydrogen 2.760 N/A TYR 110.A OH ASP 146.A OD2 no hydrogen 2.349 N/A ARG 111.A NE GLU 88.A OE2 no hydrogen 3.033 N/A ARG 111.A NH1 ASP 127.A OD1 no hydrogen 2.799 N/A ARG 111.A NH2 GLU 88.A OE1 no hydrogen 2.888 N/A LYS 112.A N ASN 96.A O no hydrogen 2.794 N/A LYS 112.A NZ GLU 41.A OE1 no hydrogen 2.989 N/A LYS 112.A NZ GLU 119.A OE1 no hydrogen 2.733 N/A ILE 113.A N TYR 110.A OH no hydrogen 2.888 N/A HIS 114.A N ASP 146.A OD1 no hydrogen 3.072 N/A HIS 114.A ND1 ASP 146.A OD1 no hydrogen 2.810 N/A PHE 116.A N GLU 119.A OE1 no hydrogen 2.891 N/A ARG 118.A NH2 PHE 49.A O no hydrogen 3.021 N/A ARG 118.A NH2 GLU 50.A OE2 no hydrogen 3.460 N/A GLU 119.A N PHE 116.A O no hydrogen 3.013 N/A LYS 120.A N TYR 117.A O no hydrogen 3.312 N/A PHE 121.A N ARG 118.A O no hydrogen 2.691 N/A PHE 122.A N GLU 119.A O no hydrogen 2.866 N/A PHE 123.A N GLU 119.A O no hydrogen 2.840 N/A GLU 124.A N LEU 94.A O no hydrogen 2.715 N/A GLY 126.A N LYS 112.A O no hydrogen 2.736 N/A PHE 133.A N VAL 140.A O no hydrogen 2.703 N/A LEU 135.A N MET 138.A O no hydrogen 2.707 N/A GLY 136.A N ASP 134.A OD1 no hydrogen 2.778 N/A LYS 139.A N ASP 162.A OD1 no hydrogen 2.853 N/A VAL 140.A N PHE 133.A O no hydrogen 2.683 N/A GLY 141.A N VAL 163.A O no hydrogen 2.721 N/A VAL 142.A N ARG 131.A O no hydrogen 3.304 N/A MET 143.A N ALA 165.A O no hydrogen 3.039 N/A ILE 144.A N ASP 146.A OD2 no hydrogen 2.820 N/A ASP 146.A N ILE 144.A O no hydrogen 3.059 N/A PHE 148.A N PHE 145.A O no hydrogen 2.895 N/A PHE 149.A N ASP 146.A O no hydrogen 3.237 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.886 N/A SER 152.A N PHE 149.A O no hydrogen 2.921 N/A SER 152.A OG ASP 146.A O no hydrogen 2.808 N/A SER 152.A OG PHE 149.A O no hydrogen 3.263 N/A ARG 154.A N PRO 150.A O no hydrogen 2.965 N/A ARG 154.A NH1 GLU 185.A O no hydrogen 2.851 N/A ARG 154.A NH1 ASN 186.A OD1 no hydrogen 3.027 N/A THR 155.A N GLU 151.A O no hydrogen 2.848 N/A THR 155.A OG1 GLU 151.A O no hydrogen 2.737 N/A LEU 156.A N SER 152.A O no hydrogen 3.161 N/A ALA 157.A N ALA 153.A O no hydrogen 2.822 N/A LEU 158.A N ARG 154.A O no hydrogen 2.799 N/A LYS 159.A N THR 155.A O no hydrogen 3.166 N/A LYS 159.A N LEU 156.A O no hydrogen 3.102 N/A LYS 159.A NZ PHE 130.A O no hydrogen 2.660 N/A GLY 160.A N ALA 157.A O no hydrogen 3.138 N/A ALA 161.A N LEU 156.A O no hydrogen 3.038 N/A ASP 162.A N LYS 139.A O no hydrogen 2.942 N/A VAL 163.A N LYS 139.A O no hydrogen 3.289 N/A ILE 164.A N TYR 189.A O no hydrogen 2.640 N/A ALA 165.A N GLY 141.A O no hydrogen 2.637 N/A HIS 166.A N VAL 191.A O no hydrogen 2.639 N/A HIS 166.A ND1 THR 192.A OG1 no hydrogen 2.711 N/A ALA 168.A N ALA 193.A O no hydrogen 2.708 N/A ASN 169.A ND2 GLU 41.A O no hydrogen 2.872 N/A ASN 169.A ND2 ALA 168.A O no hydrogen 2.620 N/A LEU 170.A N ASP 194.A OD1 no hydrogen 2.771 N/A ALA 178.A N TYR 174.A O no hydrogen 3.039 N/A MET 179.A N ALA 175.A O no hydrogen 2.779 N/A ILE 181.A N ALA 178.A O no hydrogen 2.881 N/A ARG 182.A N ALA 178.A O no hydrogen 3.097 N/A ARG 182.A NE TRP 147.A O no hydrogen 2.839 N/A ARG 182.A NH1 GLU 185.A OE2 no hydrogen 2.839 N/A ARG 182.A NH2 TRP 147.A O no hydrogen 2.947 N/A ALA 183.A N MET 179.A O no hydrogen 2.964 N/A LEU 184.A N PRO 180.A O no hydrogen 2.824 N/A GLU 185.A N ILE 181.A O no hydrogen 2.752 N/A ASN 186.A N ARG 182.A O no hydrogen 3.178 N/A ASN 186.A ND2 ARG 182.A O no hydrogen 2.706 N/A LYS 187.A N LEU 184.A O no hydrogen 3.043 N/A LYS 187.A NZ LEU 237.A O no hydrogen 3.096 N/A LYS 187.A NZ ASN 240.A O no hydrogen 2.556 N/A LYS 187.A NZ ARG 242.A O no hydrogen 2.862 N/A VAL 188.A N ALA 183.A O no hydrogen 2.905 N/A TYR 189.A N ASP 162.A O no hydrogen 3.085 N/A THR 190.A N ALA 211.A O no hydrogen 2.910 N/A VAL 191.A N ILE 164.A O no hydrogen 2.666 N/A THR 192.A N LEU 209.A O no hydrogen 2.791 N/A THR 192.A OG1 HIS 166.A ND1 no hydrogen 2.711 N/A ALA 193.A N HIS 166.A O no hydrogen 2.716 N/A ASP 194.A N SER 208.A OG no hydrogen 2.583 N/A ARG 195.A N ALA 168.A O no hydrogen 3.265 N/A ARG 195.A NE VAL 196.A O no hydrogen 2.857 N/A ARG 195.A NH1 ASN 9.A OD1 no hydrogen 2.932 N/A ARG 195.A NH1 VAL 196.A O no hydrogen 3.461 N/A ARG 195.A NH1 GLU 199.A OE1 no hydrogen 3.243 N/A ARG 195.A NH2 GLU 199.A OE1 no hydrogen 2.936 N/A VAL 196.A N MET 8.A O no hydrogen 3.258 N/A GLU 199.A N LEU 202.A O no hydrogen 2.768 N/A ARG 200.A NH1 ASN 48.A O no hydrogen 3.064 N/A ARG 200.A NH1 GLU 54.A OE1 no hydrogen 2.522 N/A ARG 200.A NH1 GLU 54.A OE2 no hydrogen 3.413 N/A ARG 200.A NH2 GLU 54.A OE2 no hydrogen 2.791 N/A LEU 202.A N GLU 199.A O no hydrogen 3.007 N/A LYS 203.A NZ GLU 223.A OE2.B no hydrogen 2.606 N/A PHE 204.A N GLY 197.A O no hydrogen 2.977 N/A ILE 205.A N LEU 170.A O no hydrogen 2.806 N/A GLY 206.A N ARG 195.A O no hydrogen 3.241 N/A LYS 207.A N SER 222.A O no hydrogen 2.642 N/A SER 208.A N GLN 7.A OE1 no hydrogen 2.980 N/A SER 208.A OG GLN 7.A OE1 no hydrogen 2.663 N/A LEU 209.A N THR 192.A O no hydrogen 2.885 N/A ILE 210.A N SER 219.A O no hydrogen 2.668 N/A ALA 211.A N THR 190.A O no hydrogen 2.882 N/A SER 212.A N GLU 216.A O no hydrogen 2.775 N/A SER 212.A OG GLU 216.A OE1 no hydrogen 2.543 N/A LYS 214.A N SER 212.A OG no hydrogen 3.044 N/A ALA 215.A N SER 212.A O no hydrogen 2.826 N/A GLU 216.A N SER 212.A OG no hydrogen 3.172 N/A LEU 218.A N ILE 210.A O no hydrogen 2.802 N/A SER 219.A N ILE 210.A O no hydrogen 3.292 N/A SER 219.A OG TYR 5.A OH no hydrogen 2.867 N/A ALA 221.A N SER 208.A O no hydrogen 2.740 N/A SER 222.A N GLU 227.A OE1 no hydrogen 2.609 N/A SER 222.A OG GLU 227.A OE1 no hydrogen 2.654 N/A GLU 225.A N SER 222.A OG no hydrogen 2.955 N/A GLU 227.A N GLN 7.A O no hydrogen 2.644 N/A GLY 229.A N TYR 5.A O no hydrogen 3.160 N/A ALA 231.A N VAL 3.A O no hydrogen 2.947 N/A ILE 233.A N VAL 1.A O no hydrogen 2.732 N/A ASP 234.A N TYR 189.A OH no hydrogen 2.851 N/A LEU 237.A N ASP 234.A O no hydrogen 3.289 N/A VAL 238.A N LEU 235.A O no hydrogen 3.092 N/A ARG 239.A N LEU 235.A O no hydrogen 2.977 N/A ARG 239.A N SER 236.A O no hydrogen 3.260 N/A ARG 239.A NE ASP 162.A OD1 no hydrogen 3.387 N/A ARG 239.A NE ASP 162.A OD2 no hydrogen 2.941 N/A ARG 239.A NH1 PHE 137.A O no hydrogen 3.322 N/A ARG 239.A NH1 ASP 162.A OD1 no hydrogen 2.856 N/A ASN 240.A N SER 236.A O no hydrogen 3.223 N/A LYS 241.A NZ ASN 186.A O no hydrogen 3.022 N/A LYS 241.A NZ LYS 187.A O no hydrogen 2.764 N/A LYS 241.A NZ VAL 238.A O no hydrogen 2.483 N/A ARG 242.A N ASN 240.A OD1 no hydrogen 3.110 N/A ILE 243.A N ASN 247.A O no hydrogen 2.827 N/A ASN 244.A ND2 ASN 247.A OD1 no hydrogen 3.042 N/A LEU 246.A N ASN 244.A OD1 no hydrogen 2.639 N/A ASN 247.A N ASN 244.A O no hydrogen 3.249 N/A ASN 247.A ND2 ASP 252.A OD2 no hydrogen 2.660 N/A ILE 249.A N LYS 241.A O no hydrogen 3.015 N/A LYS 251.A N ASP 248.A OD1 no hydrogen 3.007 N/A ASP 252.A N ASP 248.A O no hydrogen 2.644 N/A ASP 252.A N ILE 249.A O no hydrogen 3.237 N/A ARG 254.A N TYR 258.A OH no hydrogen 3.028 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.809 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.591 N/A TYR 257.A N ARG 254.A O no hydrogen 3.021 N/A TYR 258.A N GLU 255.A O no hydrogen 2.969 N/A