Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2caq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N THR 56.A O no hydrogen 2.755 N/A LYS 4.A N LYS 54.A O no hydrogen 2.890 N/A LYS 4.A NZ GLU 31.A OE2 no hydrogen 3.556 N/A VAL 5.A N GLU 29.A O no hydrogen 2.840 N/A ILE 6.A N ALA 52.A O no hydrogen 2.802 N/A TYR 7.A N GLU 31.A O no hydrogen 3.013 N/A TYR 7.A OH.A ASP 30.A OD1.A no hydrogen 1.906 N/A TYR 7.A OH.A ASP 30.A OD2.B no hydrogen 2.339 N/A ARG 11.A NH1.A ASP 169.A OD1 no hydrogen 3.046 N/A ARG 11.A NH2.A ASP 169.A OD1 no hydrogen 2.615 N/A ARG 11.A NH2.B ALA 204.A O no hydrogen 2.666 N/A ARG 13.A N TYR 7.A OH.B no hydrogen 3.016 N/A ARG 13.A NE.A SER 68.A OG no hydrogen 3.161 N/A ARG 13.A NH1.A GLU 100.A OE2 no hydrogen 2.967 N/A ARG 13.A NH1.A TYR 107.A OH no hydrogen 2.756 N/A GLU 15.A N GLY 12.A O no hydrogen 3.295 N/A SER 16.A OG ARG 13.A O no hydrogen 3.499 N/A LEU 18.A N ALA 14.A O no hydrogen 3.012 N/A MET 19.A N GLU 15.A O no hydrogen 2.890 N/A THR 20.A N SER 16.A O no hydrogen 3.077 N/A THR 20.A OG1 SER 16.A O no hydrogen 2.741 N/A LEU 21.A N ILE 17.A O no hydrogen 3.068 N/A VAL 22.A N LEU 18.A O no hydrogen 2.955 N/A ALA 23.A N MET 19.A O no hydrogen 2.856 N/A ALA 24.A N THR 20.A O no hydrogen 2.971 N/A GLY 25.A N VAL 22.A O no hydrogen 3.032 N/A VAL 26.A N LEU 21.A O no hydrogen 2.791 N/A GLU 29.A N ILE 3.A O no hydrogen 2.716 N/A GLU 31.A N VAL 5.A O no hydrogen 2.771 N/A ARG 32.A NE ASP 30.A OD2.A no hydrogen 2.807 N/A ILE 33.A N TYR 7.A O no hydrogen 2.788 N/A SER 34.A OG ASP 37.A OD1 no hydrogen 2.426 N/A ASP 37.A N SER 34.A O no hydrogen 3.096 N/A ASP 37.A N SER 34.A OG no hydrogen 3.264 N/A TRP 38.A N SER 34.A O no hydrogen 3.128 N/A LYS 40.A NZ ASP 37.A OD2 no hydrogen 3.486 N/A ILE 41.A N ASP 37.A O no hydrogen 3.311 N/A LYS 42.A N TRP 38.A O no hydrogen 2.762 N/A LYS 42.A NZ GLY 48.A O no hydrogen 2.775 N/A THR 44.A N ILE 41.A O no hydrogen 2.857 N/A THR 44.A OG1 ILE 41.A O no hydrogen 2.563 N/A ILE 45.A N LYS 42.A O no hydrogen 3.288 N/A GLY 48.A N ILE 45.A O no hydrogen 2.725 N/A ALA 52.A N ILE 6.A O no hydrogen 2.983 N/A VAL 53.A N MET 65.A O no hydrogen 2.847 N/A LYS 54.A N LYS 4.A O no hydrogen 2.920 N/A ILE 55.A N LYS 63.A O no hydrogen 2.767 N/A THR 56.A N HIS 2.A O no hydrogen 2.919 N/A THR 56.A OG1 HIS 2.A O no hydrogen 3.460 N/A ASP 57.A N HIS 61.A O no hydrogen 3.145 N/A HIS 59.A N ASP 57.A OD1 no hydrogen 2.947 N/A HIS 61.A N ASP 57.A OD1 no hydrogen 2.815 N/A LYS 63.A N ILE 55.A O no hydrogen 2.761 N/A MET 65.A N VAL 53.A O no hydrogen 2.805 N/A ILE 71.A N GLU 67.A O no hydrogen 3.032 N/A ALA 72.A N SER 68.A O no hydrogen 2.926 N/A ARG 73.A N LEU 69.A O no hydrogen 2.899 N/A ARG 73.A NE GLU 93.A OE1 no hydrogen 2.843 N/A ARG 73.A NE GLU 93.A OE2 no hydrogen 3.448 N/A ARG 73.A NH1 GLU 93.A OE2 no hydrogen 2.904 N/A TYR 74.A N ALA 70.A O no hydrogen 3.014 N/A MET 75.A N ILE 71.A O no hydrogen 2.972 N/A ALA 76.A N ALA 72.A O no hydrogen 2.822 N/A LYS 77.A N ARG 73.A O no hydrogen 2.812 N/A LYS 78.A N TYR 74.A O no hydrogen 3.048 N/A LYS 78.A NZ TYR 74.A OH no hydrogen 3.565 N/A HIS 79.A N MET 75.A O no hydrogen 3.104 N/A HIS 79.A N ALA 76.A O no hydrogen 3.113 N/A HIS 79.A ND1 MET 75.A O no hydrogen 3.176 N/A HIS 80.A N LYS 77.A O no hydrogen 3.158 N/A MET 81.A N ALA 76.A O no hydrogen 2.714 N/A GLY 84.A N GLU 88.A OE1 no hydrogen 2.946 N/A GLU 88.A N THR 85.A OG1 no hydrogen 3.118 N/A TYR 89.A N THR 85.A O no hydrogen 2.870 N/A TYR 90.A N GLU 86.A O no hydrogen 2.926 N/A ASN 91.A N GLU 87.A O no hydrogen 3.064 N/A ASN 91.A ND2 GLU 87.A OE2 no hydrogen 3.138 N/A VAL 92.A N GLU 88.A O no hydrogen 2.866 N/A GLU 93.A N TYR 89.A O no hydrogen 2.924 N/A LYS 94.A N TYR 90.A O no hydrogen 2.726 N/A LEU 95.A N ASN 91.A O no hydrogen 3.229 N/A ILE 96.A N VAL 92.A O no hydrogen 3.015 N/A GLY 97.A N GLU 93.A O no hydrogen 2.931 N/A GLN 98.A N LYS 94.A O no hydrogen 3.026 N/A GLN 98.A NE2 SER 139.A OG no hydrogen 2.657 N/A ALA 99.A N LEU 95.A O no hydrogen 2.841 N/A GLU 100.A N ILE 96.A O no hydrogen 2.822 N/A ASP 101.A N GLY 97.A O no hydrogen 2.949 N/A LEU 102.A N GLN 98.A O no hydrogen 3.142 N/A GLU 103.A N ALA 99.A O no hydrogen 2.858 N/A HIS 104.A N GLU 100.A O no hydrogen 2.938 N/A GLU 105.A N ASP 101.A O no hydrogen 3.272 N/A TYR 106.A N LEU 102.A O no hydrogen 3.161 N/A TYR 107.A N GLU 103.A O no hydrogen 2.850 N/A LYS 108.A N GLU 105.A O no hydrogen 3.114 N/A LYS 108.A NZ GLU 105.A OE1 no hydrogen 2.799 N/A LYS 108.A NZ GLU 105.A OE2 no hydrogen 3.073 N/A THR 109.A N TYR 106.A O no hydrogen 3.066 N/A THR 109.A OG1 TYR 106.A O no hydrogen 2.724 N/A LEU 110.A N TYR 107.A O no hydrogen 3.116 N/A LYS 112.A NZ LYS 108.A O no hydrogen 3.074 N/A LYS 117.A N PRO 113.A O no hydrogen 3.015 N/A GLN 118.A N GLU 114.A O no hydrogen 3.146 N/A ILE 120.A N GLU 116.A O no hydrogen 2.981 N/A ILE 121.A N LYS 117.A O no hydrogen 2.883 N/A LYS 122.A N GLN 118.A O no hydrogen 3.028 N/A GLU 123.A N LYS 119.A O no hydrogen 2.974 N/A ILE 124.A N ILE 120.A O no hydrogen 2.815 N/A LEU 125.A N ILE 121.A O no hydrogen 2.854 N/A ASN 126.A N LYS 122.A O no hydrogen 3.026 N/A GLY 127.A N ILE 124.A O no hydrogen 3.115 N/A VAL 129.A N ILE 124.A O no hydrogen 3.063 N/A LEU 132.A N LYS 128.A O no hydrogen 2.908 N/A LEU 133.A N VAL 129.A O no hydrogen 2.881 N/A ASP 134.A N PRO 130.A O no hydrogen 3.079 N/A ILE 135.A N VAL 131.A O no hydrogen 3.220 N/A ILE 136.A N LEU 132.A O no hydrogen 2.895 N/A CYS 137.A N LEU 133.A O no hydrogen 2.918 N/A CYS 137.A SG LEU 133.A O no hydrogen 3.378 N/A CYS 137.A SG GLU 181.A OE1 no hydrogen 3.371 N/A GLU 138.A N ASP 134.A O no hydrogen 2.898 N/A SER 139.A N ILE 135.A O no hydrogen 3.026 N/A SER 139.A OG ILE 135.A O no hydrogen 3.527 N/A LEU 140.A N ILE 136.A O no hydrogen 2.917 N/A LYS 141.A N CYS 137.A O no hydrogen 2.912 N/A LYS 141.A NZ GLU 138.A OE1 no hydrogen 3.446 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 2.929 N/A ALA 142.A N GLU 138.A O no hydrogen 3.195 N/A ALA 142.A N SER 139.A O no hydrogen 3.282 N/A SER 143.A N LEU 140.A O no hydrogen 3.087 N/A SER 143.A OG GLY 145.A O no hydrogen 3.318 N/A SER 143.A OG LEU 147.A O no hydrogen 2.681 N/A GLY 145.A N SER 143.A OG no hydrogen 3.129 N/A LYS 146.A N ASP 151.A OD1 no hydrogen 2.811 N/A LEU 147.A N GLY 150.A O no hydrogen 2.948 N/A ALA 148.A N ASP 157.A OD1 no hydrogen 2.839 N/A THR 154.A N ASP 157.A OD2 no hydrogen 2.783 N/A THR 154.A OG1 ASP 157.A OD2 no hydrogen 3.464 N/A LEU 155.A N MET 81.A O no hydrogen 2.910 N/A VAL 159.A N LEU 155.A O no hydrogen 2.959 N/A LEU 160.A N ALA 156.A O no hydrogen 3.066 N/A ILE 161.A N ASP 157.A O no hydrogen 3.205 N/A ALA 162.A N LEU 158.A O no hydrogen 3.233 N/A VAL 163.A N VAL 159.A O no hydrogen 3.047 N/A ILE 164.A N LEU 160.A O no hydrogen 2.913 N/A ASP 165.A N ILE 161.A O no hydrogen 3.033 N/A HIS 166.A N ALA 162.A O no hydrogen 3.223 N/A HIS 166.A ND1 GLU 103.A OE1.A no hydrogen 2.513 N/A HIS 166.A ND1 GLU 103.A OE1.B no hydrogen 2.748 N/A HIS 166.A ND1 GLU 103.A OE2.A no hydrogen 3.248 N/A HIS 166.A NE2 ARG 11.A O no hydrogen 3.014 N/A VAL 167.A N VAL 163.A O no hydrogen 3.024 N/A THR 168.A N ILE 164.A O no hydrogen 2.972 N/A THR 168.A OG1 ILE 164.A O no hydrogen 3.452 N/A THR 168.A OG1 ASP 165.A O no hydrogen 3.161 N/A ASP 169.A N ASP 165.A O no hydrogen 3.033 N/A LEU 170.A N HIS 166.A O no hydrogen 3.313 N/A LEU 170.A N VAL 167.A O no hydrogen 2.950 N/A ASP 171.A N VAL 167.A O no hydrogen 3.053 N/A GLU 173.A N ASP 171.A OD1 no hydrogen 3.089 N/A PHE 174.A N ASP 171.A O no hydrogen 3.129 N/A THR 176.A N GLU 173.A O no hydrogen 2.966 N/A THR 176.A OG1 GLU 173.A O no hydrogen 3.376 N/A THR 176.A OG1 GLU 173.A OE2 no hydrogen 2.625 N/A LYS 178.A N LEU 175.A O no hydrogen 2.999 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.887 N/A ILE 182.A N TYR 179.A O no hydrogen 3.021 N/A HIS 183.A N TYR 179.A O no hydrogen 3.385 N/A HIS 183.A NE2 LEU 175.A O no hydrogen 2.783 N/A LYS 184.A N PRO 180.A O no hydrogen 2.917 N/A HIS 185.A N GLU 181.A O no hydrogen 2.908 N/A ARG 186.A N ILE 182.A O no hydrogen 3.081 N/A ARG 186.A NH2 ASP 165.A OD1 no hydrogen 3.217 N/A GLU 187.A N HIS 183.A O no hydrogen 3.166 N/A ASN 188.A N LYS 184.A O no hydrogen 2.944 N/A ASN 188.A ND2 LYS 146.A O no hydrogen 2.963 N/A LEU 189.A N HIS 185.A O no hydrogen 2.894 N/A LEU 190.A N ARG 186.A O no hydrogen 3.088 N/A ALA 191.A N GLU 187.A O no hydrogen 2.987 N/A SER 192.A N ASN 188.A O no hydrogen 2.948 N/A SER 192.A OG.A ASN 188.A O no hydrogen 2.886 N/A SER 192.A OG.B LEU 189.A O no hydrogen 3.006 N/A SER 193.A N LEU 189.A O no hydrogen 2.855 N/A ARG 195.A NH1 ALA 23.A O no hydrogen 2.997 N/A LEU 196.A N SER 193.A OG no hydrogen 3.103 N/A ALA 197.A N SER 193.A O no hydrogen 2.957 N/A LYS 198.A N PRO 194.A O no hydrogen 2.897 N/A LYS 198.A NZ ASP 202.A OD2 no hydrogen 3.130 N/A TYR 199.A N ARG 195.A O no hydrogen 3.076 N/A TYR 199.A OH GLU 15.A OE1.A no hydrogen 2.477 N/A LEU 200.A N LEU 196.A O no hydrogen 2.847 N/A SER 201.A N ALA 197.A O no hydrogen 3.021 N/A SER 201.A OG ALA 197.A O no hydrogen 3.297 N/A ASP 202.A N LYS 198.A O no hydrogen 2.940 N/A ARG 203.A N TYR 199.A O no hydrogen 3.070 N/A ARG 203.A NH1 GLU 15.A OE1.A no hydrogen 3.027 N/A ARG 203.A NH2 ASP 165.A OD1 no hydrogen 3.284 N/A