Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 1.A O no hydrogen 3.111 N/A ILE 6.A N ASP 2.A O no hydrogen 2.696 N/A ASP 7.A N ARG 3.A O no hydrogen 2.608 N/A VAL 8.A N LEU 4.A O no hydrogen 3.275 N/A ASP 10.A N ASP 7.A O no hydrogen 2.723 N/A LEU 12.A N VAL 8.A O no hydrogen 3.327 N/A VAL 13.A N ILE 9.A O no hydrogen 3.034 N/A PHE 14.A N ASP 10.A O no hydrogen 3.190 N/A PHE 14.A N TRP 11.A O no hydrogen 3.296 N/A ALA 17.A N ASP 15.A OD1 no hydrogen 3.274 N/A GLN 18.A N ASP 15.A O no hydrogen 2.647 N/A ARG 19.A N PRO 16.A O no hydrogen 2.896 N/A ALA 22.A N GLN 18.A O no hydrogen 2.904 N/A LEU 23.A N ARG 19.A O no hydrogen 2.699 N/A LYS 24.A N ALA 20.A O no hydrogen 2.959 N/A GLN 25.A N GLU 21.A O no hydrogen 2.916 N/A GLN 25.A NE2 GLU 21.A OE1 no hydrogen 2.663 N/A GLY 26.A N ALA 22.A O no hydrogen 2.906 N/A ASN 27.A N LEU 23.A O no hydrogen 2.811 N/A ASN 27.A ND2 ALA 66.A O no hydrogen 2.733 N/A ALA 28.A N LYS 24.A O no hydrogen 3.123 N/A ILE 29.A N GLN 25.A O no hydrogen 3.017 N/A MET 30.A N GLY 26.A O no hydrogen 2.847 N/A ARG 31.A N ASN 27.A O no hydrogen 2.802 N/A ARG 31.A NE GLN 168.A OE1 no hydrogen 2.701 N/A ARG 31.A NH1 GLU 69.A OE2 no hydrogen 2.612 N/A ARG 31.A NH2 GLN 168.A OE1 no hydrogen 3.086 N/A LYS 32.A N ALA 28.A O no hydrogen 3.210 N/A LYS 32.A NZ ALA 28.A O no hydrogen 2.944 N/A LYS 32.A NZ GLN 168.A OE1 no hydrogen 3.534 N/A PHE 33.A N ILE 29.A O no hydrogen 3.067 N/A LEU 34.A N MET 30.A O no hydrogen 2.833 N/A ALA 35.A N ARG 31.A O no hydrogen 3.073 N/A SER 36.A N LYS 32.A O no hydrogen 3.334 N/A SER 36.A N PHE 33.A O no hydrogen 3.024 N/A LYS 37.A N LEU 34.A O no hydrogen 2.970 N/A LYS 38.A N PHE 33.A O no hydrogen 2.798 N/A ALA 42.A N LYS 38.A O no hydrogen 2.837 N/A LYS 43.A N HIS 39.A O no hydrogen 2.647 N/A LYS 43.A NZ GLU 81.A OE2 no hydrogen 3.343 N/A GLU 44.A N GLU 40.A O no hydrogen 2.543 N/A VAL 45.A N ALA 41.A O no hydrogen 2.890 N/A PHE 46.A N ALA 42.A O no hydrogen 2.653 N/A VAL 47.A N LYS 43.A O no hydrogen 2.830 N/A LYS 48.A N GLU 44.A O no hydrogen 3.424 N/A LYS 48.A NZ ASP 10.A OD1 no hydrogen 2.796 N/A LYS 48.A NZ ASP 10.A OD2 no hydrogen 3.101 N/A ILE 49.A N PHE 46.A O no hydrogen 3.334 N/A SER 53.A N PRO 50.A O no hydrogen 2.688 N/A SER 53.A OG PRO 50.A O no hydrogen 2.457 N/A GLU 56.A N ASP 52.A O no hydrogen 3.336 N/A ILE 57.A N SER 53.A O no hydrogen 3.016 N/A TYR 58.A N ALA 55.A O no hydrogen 3.223 N/A GLU 62.A N GLU 62.A OE2 no hydrogen 2.838 N/A ASP 63.A N PRO 60.A O no hydrogen 3.046 N/A ASP 64.A N PRO 60.A O no hydrogen 3.102 N/A ASN 65.A N ALA 61.A O no hydrogen 2.765 N/A ASN 65.A ND2 ARG 156.A O no hydrogen 3.499 N/A ALA 66.A N GLU 62.A O no hydrogen 2.921 N/A ILE 67.A N ASP 63.A O no hydrogen 3.108 N/A ARG 68.A N ASP 64.A O no hydrogen 3.274 N/A ARG 68.A NE VAL 153.A O no hydrogen 2.865 N/A ARG 68.A NH1 VAL 147.A O no hydrogen 3.142 N/A ARG 68.A NH2 VAL 147.A O no hydrogen 3.189 N/A ARG 68.A NH2 GLY 150.A O no hydrogen 2.862 N/A GLU 69.A N ASN 65.A O no hydrogen 2.929 N/A HIS 70.A N ALA 66.A O no hydrogen 2.994 N/A LEU 71.A N ILE 67.A O no hydrogen 3.030 N/A CYS 72.A N ARG 68.A O no hydrogen 2.793 N/A CYS 72.A SG ARG 68.A O no hydrogen 3.514 N/A ILE 73.A N GLU 69.A O no hydrogen 2.841 N/A ARG 74.A N HIS 70.A O no hydrogen 2.961 N/A ALA 75.A N LEU 71.A O no hydrogen 2.946 N/A TYR 76.A N CYS 72.A O no hydrogen 3.121 N/A TYR 76.A OH HIS 39.A NE2 no hydrogen 3.395 N/A LEU 77.A N ILE 73.A O no hydrogen 2.999 N/A GLU 78.A N ARG 74.A O no hydrogen 3.020 N/A ALA 79.A N ALA 75.A O no hydrogen 2.986 N/A HIS 80.A N TYR 76.A O no hydrogen 3.160 N/A HIS 80.A N LEU 77.A O no hydrogen 3.153 N/A HIS 80.A NE2 TYR 76.A OH no hydrogen 2.925 N/A GLU 81.A N LEU 77.A O no hydrogen 2.981 N/A THR 82.A N GLU 78.A O no hydrogen 2.988 N/A THR 82.A OG1 GLU 78.A O no hydrogen 3.163 N/A THR 82.A OG1 ALA 79.A O no hydrogen 3.336 N/A PHE 83.A N ALA 79.A O no hydrogen 3.272 N/A ASN 84.A N HIS 80.A O no hydrogen 3.056 N/A GLU 85.A N GLU 81.A O no hydrogen 3.169 N/A TRP 86.A N THR 82.A O no hydrogen 2.934 N/A TRP 86.A NE1 THR 133.A OG1 no hydrogen 2.663 N/A PHE 87.A N PHE 83.A O no hydrogen 2.851 N/A LYS 88.A N ASN 84.A O no hydrogen 2.894 N/A HIS 89.A N GLU 85.A O no hydrogen 2.974 N/A HIS 89.A NE2 TRP 125.A O no hydrogen 2.964 N/A MET 90.A N TRP 86.A O no hydrogen 2.855 N/A ASN 91.A N PHE 87.A O no hydrogen 3.247 N/A ASN 91.A N LYS 88.A O no hydrogen 3.270 N/A SER 92.A N HIS 89.A O no hydrogen 2.818 N/A SER 92.A OG HIS 89.A O no hydrogen 2.811 N/A LYS 96.A NZ TYR 118.A OH no hydrogen 3.542 N/A THR 104.A N GLU 107.A OE1 no hydrogen 2.642 N/A LYS 108.A N THR 104.A O no hydrogen 2.869 N/A VAL 109.A N PHE 105.A O no hydrogen 3.129 N/A ALA 110.A N THR 106.A O no hydrogen 3.064 N/A HIS 111.A N GLU 107.A O no hydrogen 2.939 N/A GLU 112.A N LYS 108.A O no hydrogen 2.778 N/A HIS 113.A N VAL 109.A O no hydrogen 3.050 N/A LYS 114.A N ALA 110.A O no hydrogen 2.895 N/A GLU 115.A N HIS 111.A O no hydrogen 2.834 N/A LYS 116.A N GLU 112.A O no hydrogen 3.190 N/A LYS 117.A N HIS 113.A O no hydrogen 2.897 N/A TYR 118.A N LYS 114.A O no hydrogen 2.662 N/A GLU 119.A N GLU 115.A O no hydrogen 3.173 N/A MET 120.A N LYS 116.A O no hydrogen 3.236 N/A MET 120.A N LYS 117.A O no hydrogen 2.892 N/A ASP 121.A N LYS 117.A O no hydrogen 2.805 N/A PHE 122.A N TYR 118.A O no hydrogen 2.803 N/A GLY 123.A N GLU 119.A O no hydrogen 3.202 N/A ILE 124.A N MET 120.A O no hydrogen 2.971 N/A TRP 125.A N ASP 121.A O no hydrogen 3.003 N/A TRP 125.A NE1 HIS 89.A O no hydrogen 3.030 N/A LYS 126.A N PHE 122.A O no hydrogen 2.818 N/A LYS 126.A NZ ASP 130.A OD1 no hydrogen 2.918 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 3.569 N/A GLY 127.A N ILE 124.A O no hydrogen 2.747 N/A HIS 128.A N ILE 124.A O no hydrogen 3.084 N/A LEU 129.A N TRP 125.A O no hydrogen 2.873 N/A ASP 130.A N LYS 126.A O no hydrogen 2.997 N/A ALA 131.A N GLY 127.A O no hydrogen 3.398 N/A LEU 132.A N HIS 128.A O no hydrogen 2.954 N/A THR 133.A N LEU 129.A O no hydrogen 2.683 N/A THR 133.A OG1 LEU 129.A O no hydrogen 3.059 N/A ALA 134.A N ASP 130.A O no hydrogen 3.057 N/A ASP 135.A N ALA 131.A O no hydrogen 3.156 N/A ASP 135.A N LEU 132.A O no hydrogen 3.191 N/A VAL 136.A N LEU 132.A O no hydrogen 2.969 N/A LYS 137.A N THR 133.A O no hydrogen 3.143 N/A LYS 137.A NZ GLN 193.A OE1 no hydrogen 2.824 N/A LYS 137.A NZ GLU 196.A OE1 no hydrogen 3.145 N/A LYS 137.A NZ GLU 196.A OE2 no hydrogen 2.887 N/A GLU 138.A N ALA 134.A O no hydrogen 3.213 N/A LYS 139.A N ASP 135.A O no hydrogen 3.082 N/A LYS 139.A NZ GLU 78.A OE1 no hydrogen 2.743 N/A MET 140.A N VAL 136.A O no hydrogen 2.960 N/A TYR 141.A N LYS 137.A O no hydrogen 2.984 N/A TYR 141.A OH GLU 196.A OE1 no hydrogen 2.936 N/A ASN 142.A N GLU 138.A O no hydrogen 3.034 N/A VAL 143.A N LYS 139.A O no hydrogen 3.131 N/A LEU 144.A N MET 140.A O no hydrogen 2.861 N/A LEU 145.A N TYR 141.A O no hydrogen 2.680 N/A PHE 146.A N VAL 143.A O no hydrogen 3.282 N/A TRP 151.A NE1 CYS 72.A O no hydrogen 2.761 N/A VAL 153.A N GLY 150.A O no hydrogen 3.301 N/A ARG 156.A NH1 LEU 59.A O no hydrogen 3.073 N/A ARG 156.A NH1 ASP 64.A OD2 no hydrogen 3.224 N/A ARG 156.A NH2 LEU 59.A O no hydrogen 3.263 N/A LYS 160.A N GLU 62.A OE1 no hydrogen 2.956 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.805 N/A ARG 165.A N ASP 162.A OD1 no hydrogen 3.204 N/A ARG 165.A NE GLU 69.A OE1 no hydrogen 3.129 N/A ARG 165.A NH1 ASP 154.A OD1 no hydrogen 3.345 N/A ARG 165.A NH1 ASP 154.A OD2 no hydrogen 2.972 N/A ARG 165.A NH2 GLU 69.A OE1 no hydrogen 3.035 N/A ARG 165.A NH2 ASP 154.A OD1 no hydrogen 2.976 N/A THR 166.A N ASP 162.A O no hydrogen 3.038 N/A HIS 167.A N HIS 163.A O no hydrogen 3.066 N/A HIS 167.A ND1 HIS 163.A O no hydrogen 2.976 N/A GLN 168.A N GLU 164.A O no hydrogen 2.837 N/A MET 169.A N ARG 165.A O no hydrogen 2.894 N/A VAL 170.A N THR 166.A O no hydrogen 3.361 N/A LEU 171.A N HIS 167.A O no hydrogen 3.013 N/A LEU 172.A N GLN 168.A O no hydrogen 2.870 N/A ARG 173.A N MET 169.A O no hydrogen 3.070 N/A ARG 173.A NH1 TRP 151.A O no hydrogen 2.683 N/A LYS 174.A N VAL 170.A O no hydrogen 3.219 N/A LEU 175.A N LEU 171.A O no hydrogen 2.945 N/A LEU 175.A N LEU 172.A O no hydrogen 3.203 N/A CYS 176.A N LEU 172.A O no hydrogen 2.914 N/A CYS 176.A SG TYR 76.A OH no hydrogen 3.467 N/A LEU 177.A N ARG 173.A O no hydrogen 3.173 N/A LEU 180.A N CYS 176.A O no hydrogen 2.924 N/A CYS 181.A N LEU 177.A O no hydrogen 2.919 N/A PHE 182.A N PRO 178.A O no hydrogen 2.853 N/A LEU 183.A N MET 179.A O no hydrogen 2.852 N/A LEU 184.A N LEU 180.A O no hydrogen 2.669 N/A HIS 185.A N CYS 181.A O no hydrogen 2.948 N/A THR 186.A N PHE 182.A O no hydrogen 2.959 N/A THR 186.A OG1 PHE 182.A O no hydrogen 3.461 N/A ILE 187.A N LEU 183.A O no hydrogen 2.894 N/A LEU 188.A N LEU 184.A O no hydrogen 2.916 N/A HIS 189.A N HIS 185.A O no hydrogen 2.893 N/A HIS 189.A ND1 SER 230.A OG no hydrogen 2.922 N/A SER 190.A N THR 186.A O no hydrogen 2.946 N/A SER 190.A OG THR 186.A O no hydrogen 2.973 N/A THR 191.A N ILE 187.A O no hydrogen 3.271 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.986 N/A GLY 192.A N HIS 189.A O no hydrogen 3.308 N/A GLN 193.A N LEU 188.A O no hydrogen 2.752 N/A GLN 193.A NE2 THR 191.A OG1 no hydrogen 2.680 N/A CYS 197.A N GLN 193.A O no hydrogen 3.186 N/A CYS 197.A SG HIS 185.A ND1 no hydrogen 3.644 N/A CYS 197.A SG GLN 193.A O no hydrogen 3.825 N/A CYS 197.A SG SER 230.A OG no hydrogen 3.220 N/A LEU 198.A N TYR 194.A O no hydrogen 3.275 N/A GLN 199.A N GLN 195.A O no hydrogen 3.285 N/A LEU 200.A N CYS 197.A O no hydrogen 2.849 N/A ALA 201.A N LEU 198.A O no hydrogen 3.092 N/A MET 203.A N GLN 199.A O no hydrogen 3.174 N/A VAL 204.A N LEU 200.A O no hydrogen 3.000 N/A SER 205.A N ALA 201.A O no hydrogen 3.154 N/A SER 205.A N ASP 202.A O no hydrogen 3.146 N/A SER 205.A OG ALA 201.A O no hydrogen 2.713 N/A SER 205.A OG ASP 202.A O no hydrogen 3.421 N/A ARG 208.A N SER 206.A OG no hydrogen 3.121 N/A LYS 210.A N SER 206.A O no hydrogen 2.814 N/A LYS 210.A NZ GLU 207.A O no hydrogen 2.742 N/A TYR 212.A N VAL 204.A O no hydrogen 2.945 N/A TYR 212.A OH GLU 207.A OE2 no hydrogen 2.546 N/A LEU 213.A N LYS 210.A O no hydrogen 3.117 N/A VAL 214.A N LEU 211.A O no hydrogen 2.888 N/A PHE 215.A N TYR 212.A O no hydrogen 3.096 N/A SER 216.A N GLU 219.A OE1 no hydrogen 2.972 N/A SER 216.A OG GLU 219.A OE1 no hydrogen 3.093 N/A GLU 219.A N SER 216.A OG no hydrogen 3.192 N/A LEU 220.A N SER 216.A O no hydrogen 3.082 N/A ARG 221.A N LYS 217.A O no hydrogen 3.018 N/A LYS 222.A N GLU 218.A O no hydrogen 2.998 N/A LYS 222.A NZ GLN 225.A OE1 no hydrogen 3.334 N/A LEU 223.A N GLU 219.A O no hydrogen 2.895 N/A LEU 224.A N LEU 220.A O no hydrogen 2.928 N/A GLN 225.A N ARG 221.A O no hydrogen 2.905 N/A LYS 226.A N LYS 222.A O no hydrogen 2.834 N/A LEU 227.A N LEU 223.A O no hydrogen 2.945 N/A ARG 228.A N LEU 224.A O no hydrogen 2.903 N/A GLU 229.A N GLN 225.A O no hydrogen 3.235 N/A SER 230.A N LYS 226.A O no hydrogen 3.309 N/A SER 230.A N LEU 227.A O no hydrogen 2.862 N/A SER 230.A OG HIS 189.A ND1 no hydrogen 2.922 N/A SER 231.A N LEU 227.A O no hydrogen 2.941 N/A SER 231.A OG PRO 241.A O no hydrogen 2.747 N/A LEU 232.A N ARG 228.A O no hydrogen 2.995 N/A MET 233.A N GLU 229.A O no hydrogen 3.410 N/A LEU 234.A N SER 230.A O no hydrogen 3.068 N/A LEU 235.A N SER 231.A O no hydrogen 2.858 N/A ASP 236.A N LEU 232.A O no hydrogen 3.113 N/A GLN 237.A N LEU 234.A O no hydrogen 3.105 N/A GLY 238.A N LEU 235.A O no hydrogen 2.911 N/A LEU 239.A N LEU 234.A O no hydrogen 3.099 N/A ASP 240.A N TYR 244.A O no hydrogen 2.837 N/A LEU 242.A N ASP 240.A OD1 no hydrogen 2.894 N/A GLY 243.A N ASP 240.A O no hydrogen 2.847 N/A TYR 244.A N ASP 240.A OD1 no hydrogen 2.886 N/A