Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ock_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 18.A O no hydrogen 2.867 N/A ALA 5.A N TYR 16.A O no hydrogen 3.068 N/A LYS 6.A NZ HIS 64.A O no hydrogen 2.849 N/A VAL 7.A N LEU 14.A O no hydrogen 3.022 N/A VAL 9.A N VAL 12.A O no hydrogen 2.965 N/A ASN 10.A ND2 ASP 83.A OD1 no hydrogen 2.786 N/A ASN 10.A ND2 ASP 86.A OD2 no hydrogen 3.071 N/A VAL 12.A N VAL 9.A O no hydrogen 3.098 N/A LEU 14.A N VAL 7.A O no hydrogen 2.989 N/A HIS 15.A N SER 65.A OG no hydrogen 2.830 N/A TYR 16.A N ALA 5.A O no hydrogen 2.968 N/A GLN 17.A N ALA 56.A O no hydrogen 2.867 N/A GLN 18.A N THR 3.A O no hydrogen 2.830 N/A THR 19.A N VAL 54.A O no hydrogen 2.898 N/A THR 19.A OG1 SER 1.A O no hydrogen 2.875 N/A GLU 21.A N LYS 49.A O no hydrogen 2.939 N/A GLY 22.A N LYS 49.A O no hydrogen 3.161 N/A GLY 22.A N PHE 52.A O no hydrogen 2.964 N/A HIS 24.A N LEU 51.A O no hydrogen 3.109 N/A HIS 24.A NE2 SER 97.A OG no hydrogen 2.548 N/A VAL 26.A N THR 53.A O no hydrogen 2.882 N/A LEU 27.A N SER 97.A O no hydrogen 3.061 N/A LEU 28.A N VAL 55.A O no hydrogen 2.805 N/A LEU 29.A N LEU 99.A O no hydrogen 2.807 N/A GLY 31.A N ASP 39.A OD2 no hydrogen 3.145 N/A GLY 34.A N GLY 31.A O no hydrogen 2.806 N/A SER 35.A OG GLU 37.A OE1 no hydrogen 3.538 N/A SER 35.A OG THR 38.A OG1 no hydrogen 2.842 N/A GLY 36.A N ASP 58.A OD1 no hydrogen 3.025 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.923 N/A THR 38.A N SER 35.A O no hydrogen 3.223 N/A THR 38.A N SER 35.A OG no hydrogen 3.104 N/A THR 38.A OG1 SER 35.A O no hydrogen 3.527 N/A THR 38.A OG1 SER 35.A OG no hydrogen 2.842 N/A THR 38.A OG1 ASP 39.A OD1 no hydrogen 2.758 N/A ASP 39.A N SER 35.A O no hydrogen 2.814 N/A PHE 40.A N GLY 36.A O no hydrogen 3.180 N/A GLN 43.A NE2 HIS 238.A O no hydrogen 3.053 N/A GLN 43.A NE2 ASN 246.A OD1 no hydrogen 3.012 N/A LEU 44.A N PHE 40.A O no hydrogen 3.013 N/A LYS 45.A N GLY 41.A O no hydrogen 3.223 N/A ASN 46.A N PRO 42.A O no hydrogen 2.900 N/A LEU 47.A N GLN 43.A O no hydrogen 3.055 N/A ASN 48.A N GLU 250.A OE1 no hydrogen 2.476 N/A LYS 49.A NZ THR 19.A OG1 no hydrogen 2.627 N/A LYS 49.A NZ LEU 44.A O no hydrogen 2.843 N/A LYS 50.A N ASN 48.A OD1 no hydrogen 2.765 N/A LEU 51.A N ASN 48.A OD1 no hydrogen 2.995 N/A PHE 52.A N ASN 48.A O no hydrogen 2.927 N/A THR 53.A N HIS 24.A O no hydrogen 3.122 N/A THR 53.A OG1 GLY 22.A O no hydrogen 2.670 N/A VAL 54.A N THR 19.A O no hydrogen 2.800 N/A VAL 55.A N VAL 26.A O no hydrogen 2.967 N/A ALA 56.A N GLN 17.A O no hydrogen 2.778 N/A ASP 58.A N HIS 15.A O no hydrogen 2.924 N/A ARG 60.A NE ASP 83.A OD2 no hydrogen 2.969 N/A ARG 60.A NH2 ASN 10.A O no hydrogen 3.532 N/A ARG 60.A NH2 ASP 83.A OD1 no hydrogen 3.192 N/A ARG 60.A NH2 ASP 83.A OD2 no hydrogen 3.122 N/A GLY 61.A N SER 65.A O no hydrogen 2.871 N/A TYR 62.A N PRO 59.A O no hydrogen 2.843 N/A GLY 63.A N TYR 160.A OH no hydrogen 2.998 N/A HIS 64.A N ASP 58.A OD2 no hydrogen 2.871 N/A SER 65.A N TYR 62.A O no hydrogen 2.983 N/A SER 65.A OG ASP 58.A O no hydrogen 2.667 N/A ARG 70.A N TYR 164.A OH no hydrogen 2.895 N/A ARG 70.A NH1 ARG 60.A O no hydrogen 2.776 N/A ARG 70.A NH1 ASP 80.A OD1 no hydrogen 3.216 N/A ARG 70.A NH1 ASP 80.A OD2 no hydrogen 3.462 N/A ARG 70.A NH2 ASP 80.A OD2 no hydrogen 2.684 N/A PHE 76.A N PRO 73.A O no hydrogen 2.866 N/A ARG 79.A N ASP 75.A O no hydrogen 2.917 N/A ARG 79.A NH1 ASP 71.A OD1 no hydrogen 3.177 N/A ARG 79.A NH2 ASP 71.A O no hydrogen 3.243 N/A ARG 79.A NH2 ASP 71.A OD1 no hydrogen 2.830 N/A ASP 80.A N PHE 76.A O no hydrogen 3.030 N/A ALA 81.A N PHE 77.A O no hydrogen 2.990 N/A LYS 82.A N GLU 78.A O no hydrogen 3.013 N/A LYS 82.A NZ ASN 10.A OD1 no hydrogen 3.339 N/A LYS 82.A NZ ASP 86.A OD2 no hydrogen 2.703 N/A ASP 83.A N ARG 79.A O no hydrogen 2.994 N/A ALA 84.A N ASP 80.A O no hydrogen 2.890 N/A VAL 85.A N ALA 81.A O no hydrogen 3.195 N/A ASP 86.A N LYS 82.A O no hydrogen 2.814 N/A LEU 87.A N ASP 83.A O no hydrogen 2.710 N/A MET 88.A N ALA 84.A O no hydrogen 3.188 N/A LYS 89.A N VAL 85.A O no hydrogen 2.889 N/A ALA 90.A N ASP 86.A O no hydrogen 2.695 N/A LEU 91.A N LEU 87.A O no hydrogen 2.980 N/A LYS 92.A N LYS 89.A O no hydrogen 2.910 N/A PHE 93.A N MET 88.A O no hydrogen 3.237 N/A LYS 95.A NZ SER 117.A O no hydrogen 2.926 N/A VAL 96.A N TYR 118.A O no hydrogen 2.962 N/A SER 97.A N ALA 25.A O no hydrogen 2.954 N/A SER 97.A OG HIS 24.A NE2 no hydrogen 2.548 N/A LEU 98.A N LYS 121.A O no hydrogen 2.910 N/A LEU 99.A N LEU 27.A O no hydrogen 2.864 N/A GLY 100.A N VAL 123.A O no hydrogen 2.822 N/A TRP 101.A N LEU 29.A O no hydrogen 2.968 N/A TRP 101.A NE1 HIS 235.A O no hydrogen 2.760 N/A SER 102.A N TRP 125.A O no hydrogen 2.726 N/A SER 102.A OG HIS 235.A NE2 no hydrogen 3.025 N/A GLY 104.A N TRP 101.A O no hydrogen 2.743 N/A GLY 105.A N SER 102.A O no hydrogen 2.571 N/A ILE 106.A N SER 102.A O no hydrogen 3.111 N/A THR 107.A N ASN 103.A O no hydrogen 3.020 N/A THR 107.A OG1 ASN 103.A O no hydrogen 2.819 N/A ALA 108.A N GLY 104.A O no hydrogen 2.992 N/A LEU 109.A N GLY 105.A O no hydrogen 2.924 N/A ILE 110.A N ILE 106.A O no hydrogen 3.032 N/A ALA 111.A N THR 107.A O no hydrogen 2.884 N/A ALA 112.A N ALA 108.A O no hydrogen 2.991 N/A ALA 113.A N LEU 109.A O no hydrogen 3.117 N/A LYS 114.A N ILE 110.A O no hydrogen 2.879 N/A TYR 115.A N ALA 111.A O no hydrogen 2.731 N/A TYR 118.A N TYR 115.A O no hydrogen 3.042 N/A TYR 118.A OH PHE 93.A O no hydrogen 2.803 N/A HIS 120.A N VAL 96.A O no hydrogen 2.914 N/A LYS 121.A N SER 97.A OG no hydrogen 3.320 N/A LYS 121.A NZ PHE 252.A O no hydrogen 3.121 N/A LYS 121.A NZ LEU 253.A O no hydrogen 3.566 N/A MET 122.A N PRO 198.A O no hydrogen 3.146 N/A VAL 123.A N LEU 98.A O no hydrogen 2.758 N/A ILE 124.A N LEU 200.A O no hydrogen 3.040 N/A TRP 125.A N GLY 100.A O no hydrogen 3.016 N/A TRP 125.A NE1 HIS 238.A ND1 no hydrogen 3.081 N/A ASN 128.A ND2 TYR 130.A O no hydrogen 3.102 N/A VAL 131.A N GLY 185.A O no hydrogen 2.797 N/A THR 132.A N ASP 135.A OD1 no hydrogen 2.834 N/A THR 132.A OG1 ASP 135.A OD1 no hydrogen 2.908 N/A ASP 135.A N THR 132.A OG1 no hydrogen 3.295 N/A SER 136.A N THR 132.A O no hydrogen 2.807 N/A MET 137.A N ASP 133.A O no hydrogen 2.967 N/A ILE 138.A N GLU 134.A O no hydrogen 3.054 N/A TYR 139.A N ASP 135.A O no hydrogen 2.890 N/A GLU 140.A N SER 136.A O no hydrogen 3.185 N/A GLU 140.A N MET 137.A O no hydrogen 2.903 N/A GLY 141.A N MET 137.A O no hydrogen 3.151 N/A GLY 141.A N ILE 138.A O no hydrogen 2.957 N/A ILE 142.A N TYR 139.A O no hydrogen 3.184 N/A ARG 143.A N TYR 139.A O no hydrogen 3.145 N/A ARG 143.A NE GLU 140.A OE2 no hydrogen 2.515 N/A ARG 143.A NH1 ASP 174.A OD2 no hydrogen 3.432 N/A ARG 143.A NH2 ASP 174.A OD2 no hydrogen 2.698 N/A LYS 147.A N ASP 144.A O no hydrogen 3.008 N/A TRP 148.A N VAL 145.A O no hydrogen 2.774 N/A TRP 148.A NE1 ILE 142.A O no hydrogen 2.658 N/A SER 149.A OG THR 152.A OG1 no hydrogen 2.943 N/A THR 152.A N SER 149.A OG no hydrogen 3.283 N/A THR 152.A OG1 SER 149.A O no hydrogen 2.939 N/A THR 152.A OG1 SER 149.A OG no hydrogen 2.943 N/A ARG 153.A N SER 149.A O no hydrogen 3.004 N/A ARG 153.A NH1 GLU 150.A OE1 no hydrogen 3.081 N/A ARG 153.A NH1 GLU 157.A OE1 no hydrogen 2.916 N/A ARG 153.A NH2 GLU 150.A OE1 no hydrogen 2.497 N/A LYS 154.A N GLU 150.A O no hydrogen 2.973 N/A GLU 157.A N ARG 153.A O no hydrogen 2.747 N/A ALA 158.A N LYS 154.A O no hydrogen 2.948 N/A LEU 159.A N PRO 155.A O no hydrogen 2.994 N/A TYR 160.A N LEU 156.A O no hydrogen 2.990 N/A TYR 160.A OH LEU 33.A O no hydrogen 2.401 N/A GLY 161.A N GLU 157.A O no hydrogen 2.628 N/A TYR 164.A OH GLY 61.A O no hydrogen 2.739 N/A PHE 165.A N GLY 161.A O no hydrogen 3.148 N/A ALA 166.A N TYR 162.A O no hydrogen 2.745 N/A ARG 167.A N ASP 163.A O no hydrogen 2.957 N/A THR 168.A N TYR 164.A O no hydrogen 2.835 N/A THR 168.A OG1 TYR 164.A O no hydrogen 2.688 N/A CYS 169.A N PHE 165.A O no hydrogen 3.009 N/A CYS 169.A SG ILE 142.A O no hydrogen 3.651 N/A CYS 169.A SG ARG 143.A O no hydrogen 3.149 N/A GLU 170.A N ALA 166.A O no hydrogen 3.121 N/A LYS 171.A N ARG 167.A O no hydrogen 3.074 N/A TRP 172.A N THR 168.A O no hydrogen 2.873 N/A TRP 172.A NE1 ASN 103.A OD1 no hydrogen 2.823 N/A VAL 173.A N CYS 169.A O no hydrogen 3.107 N/A ASP 174.A N GLU 170.A O no hydrogen 3.022 N/A GLY 175.A N LYS 171.A O no hydrogen 2.662 N/A ILE 176.A N TRP 172.A O no hydrogen 2.667 N/A ARG 177.A N VAL 173.A O no hydrogen 2.920 N/A ARG 177.A NE SER 136.A OG no hydrogen 2.609 N/A ARG 177.A NH2 SER 136.A OG no hydrogen 3.302 N/A GLN 178.A NE2 PHE 72.A O no hydrogen 3.067 N/A GLN 178.A NE2 GLY 175.A O no hydrogen 2.810 N/A LYS 180.A N ARG 177.A O no hydrogen 3.289 N/A HIS 181.A N GLN 178.A O no hydrogen 3.449 N/A LEU 182.A N PHE 179.A O no hydrogen 3.165 N/A GLY 185.A N LEU 182.A O no hydrogen 3.038 N/A ASN 186.A N PRO 183.A O no hydrogen 3.117 N/A ASN 186.A ND2 HIS 190.A ND1 no hydrogen 3.210 N/A ILE 187.A N ALA 129.A O no hydrogen 2.956 N/A CYS 188.A N ALA 129.A O no hydrogen 2.832 N/A ARG 189.A N ASN 186.A OD1 no hydrogen 2.684 N/A LEU 191.A N CYS 188.A O no hydrogen 2.968 N/A ARG 194.A N LEU 191.A O no hydrogen 2.897 N/A VAL 195.A N LEU 192.A O no hydrogen 3.093 N/A CYS 197.A SG PRO 198.A O no hydrogen 3.832 N/A LEU 200.A N MET 122.A O no hydrogen 2.936 N/A ILE 201.A N ARG 226.A O no hydrogen 2.716 N/A VAL 202.A N ILE 124.A O no hydrogen 2.983 N/A HIS 203.A N HIS 228.A O no hydrogen 2.888 N/A GLU 205.A N MET 230.A O no hydrogen 3.034 N/A LYS 206.A N GLY 233.A O no hydrogen 2.954 N/A LYS 206.A NZ GLU 232.A OE1 no hydrogen 2.747 N/A ASP 207.A N GLY 204.A O no hydrogen 2.813 N/A LEU 209.A N ASP 207.A OD1 no hydrogen 2.874 N/A VAL 210.A N ASP 207.A OD1 no hydrogen 3.024 N/A ARG 212.A NE ASP 216.A OD2 no hydrogen 3.060 N/A ARG 212.A NH2 ASP 216.A OD1 no hydrogen 3.090 N/A HIS 214.A N PRO 211.A O no hydrogen 3.124 N/A HIS 214.A NE2 ASP 135.A OD1 no hydrogen 2.698 N/A ALA 215.A N ARG 212.A O no hydrogen 2.960 N/A ASP 216.A N ARG 212.A O no hydrogen 3.073 N/A PHE 217.A N PHE 213.A O no hydrogen 2.881 N/A ILE 218.A N HIS 214.A O no hydrogen 3.128 N/A HIS 219.A N ALA 215.A O no hydrogen 2.948 N/A LYS 220.A N ASP 216.A O no hydrogen 2.931 N/A HIS 221.A N PHE 217.A O no hydrogen 3.136 N/A VAL 222.A N ILE 218.A O no hydrogen 2.949 N/A LYS 223.A NZ PRO 193.A O no hydrogen 2.601 N/A SER 225.A N VAL 222.A O no hydrogen 3.074 N/A SER 225.A OG HIS 219.A O no hydrogen 2.911 N/A SER 225.A OG VAL 222.A O no hydrogen 2.754 N/A ARG 226.A N ALA 199.A O no hydrogen 2.787 N/A HIS 228.A N ILE 201.A O no hydrogen 2.798 N/A MET 230.A N HIS 203.A O no hydrogen 2.854 N/A GLY 233.A N MET 230.A O no hydrogen 3.072 N/A HIS 235.A ND1 ASP 207.A OD2 no hydrogen 2.840 N/A HIS 235.A NE2 SER 102.A OG no hydrogen 3.025 N/A HIS 238.A NE2 ASP 39.A O no hydrogen 2.715 N/A LEU 239.A N ASN 236.A O no hydrogen 2.938 N/A ARG 240.A N ASN 236.A O no hydrogen 2.959 N/A ARG 240.A NH1 ARG 240.A O no hydrogen 2.822 N/A PHE 241.A N LEU 237.A O no hydrogen 2.709 N/A PHE 245.A N PHE 241.A O no hydrogen 2.802 N/A ASN 246.A N ALA 242.A O no hydrogen 2.760 N/A ASN 246.A ND2 PRO 42.A O no hydrogen 3.608 N/A LYS 247.A N ASP 243.A O no hydrogen 3.124 N/A LYS 247.A NZ ASP 251.A OD1 no hydrogen 3.541 N/A LYS 247.A NZ ASP 251.A OD2 no hydrogen 2.610 N/A LEU 248.A N GLU 244.A O no hydrogen 3.222 N/A ALA 249.A N PHE 245.A O no hydrogen 2.894 N/A GLU 250.A N ASN 246.A O no hydrogen 2.894 N/A ASP 251.A N LYS 247.A O no hydrogen 2.826 N/A PHE 252.A N LEU 248.A O no hydrogen 3.160 N/A LEU 253.A N ALA 249.A O no hydrogen 2.859 N/A GLN 254.A NE2 GLU 250.A O no hydrogen 2.712 N/A