Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gaq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ALA 7.A O no hydrogen 3.405 N/A TRP 6.A NE1 TYR 135.A OH no hydrogen 2.653 N/A ALA 7.A N PRO 4.A O no hydrogen 2.865 N/A ALA 11.A N ASP 8.A OD1 no hydrogen 2.932 N/A ASN 12.A N ASP 8.A O no hydrogen 2.728 N/A GLY 13.A N GLU 9.A O no hydrogen 3.031 N/A HIS 15.A N ASN 12.A O no hydrogen 2.817 N/A GLN 16.A N GLY 13.A O no hydrogen 3.122 N/A GLN 16.A NE2 TRP 6.A O no hydrogen 3.207 N/A GLN 16.A NE2 ALA 114.A O no hydrogen 2.831 N/A ALA 18.A N GLU 96.A O no hydrogen 3.226 N/A TRP 19.A NE1 GLU 59.A OE1 no hydrogen 2.744 N/A LYS 20.A N ASP 17.A OD1 no hydrogen 3.104 N/A SER 21.A N ASP 17.A O no hydrogen 3.028 N/A SER 21.A OG ASP 121.A OD1 no hydrogen 2.278 N/A SER 21.A OG ASP 121.A OD2 no hydrogen 3.263 N/A LEU 22.A N ALA 18.A O no hydrogen 2.706 N/A LYS 23.A N TRP 19.A O no hydrogen 3.178 N/A ALA 24.A N LYS 20.A O no hydrogen 3.140 N/A ARG 25.A N LEU 22.A O no hydrogen 3.211 N/A ARG 25.A NH1 SER 21.A O no hydrogen 3.293 N/A ARG 25.A NH1 ASP 121.A OD2 no hydrogen 3.191 N/A ARG 25.A NH2 ASP 121.A OD2 no hydrogen 3.453 N/A VAL 26.A N LYS 23.A O no hydrogen 2.976 N/A GLU 27.A N ALA 24.A O no hydrogen 3.191 N/A ASN 28.A N ALA 24.A O no hydrogen 3.104 N/A TYR 30.A N VAL 52.A O no hydrogen 3.098 N/A TYR 31.A N THR 139.A O no hydrogen 2.923 N/A MET 32.A N VAL 50.A O no hydrogen 2.731 N/A VAL 33.A N LEU 137.A O no hydrogen 2.794 N/A LYS 34.A NZ ASP 164.A OD1 no hydrogen 2.815 N/A ALA 35.A N ARG 163.A O no hydrogen 3.145 N/A THR 36.A N TYR 135.A O no hydrogen 3.114 N/A TYR 37.A OH GLU 136.A OE2 no hydrogen 2.408 N/A LYS 38.A N GLU 132.A OE1 no hydrogen 3.027 N/A ASN 39.A N GLU 132.A OE1 no hydrogen 2.785 N/A ASN 39.A ND2 GLU 132.A OE2 no hydrogen 3.570 N/A ASP 40.A N GLY 44.A O no hydrogen 2.910 N/A VAL 42.A N ASP 40.A OD2 no hydrogen 3.095 N/A TRP 43.A N ASP 40.A OD2 no hydrogen 3.366 N/A TRP 43.A NE1 GLU 136.A OE2 no hydrogen 2.881 N/A GLY 44.A N ASP 40.A O no hydrogen 2.666 N/A ASP 46.A N ASN 39.A OD1 no hydrogen 3.011 N/A PHE 47.A N LYS 38.A O no hydrogen 3.306 N/A THR 48.A N MET 71.A O no hydrogen 2.924 N/A CYS 49.A N VAL 165.A O no hydrogen 2.620 N/A GLY 51.A N LEU 69.A O no hydrogen 3.088 N/A VAL 52.A N TYR 30.A O no hydrogen 2.784 N/A MET 53.A N GLU 67.A O no hydrogen 3.042 N/A ALA 54.A N ARG 25.A O no hydrogen 3.231 N/A ASN 55.A N GLN 65.A O no hydrogen 2.948 N/A ASP 56.A N ASN 55.A OD1 no hydrogen 2.954 N/A ASN 58.A N SER 63.A O no hydrogen 3.071 N/A GLU 61.A N ASN 58.A OD1 no hydrogen 2.923 N/A LYS 62.A N GLU 59.A O no hydrogen 3.271 N/A SER 63.A N ASN 58.A O no hydrogen 3.392 N/A SER 63.A OG GLU 61.A OE1 no hydrogen 3.090 N/A ILE 64.A N VAL 85.A O no hydrogen 2.915 N/A GLN 65.A N ASN 55.A O no hydrogen 2.723 N/A ALA 66.A N GLU 83.A O no hydrogen 2.707 N/A GLU 67.A N MET 53.A O no hydrogen 2.781 N/A PHE 68.A N ALA 81.A O no hydrogen 3.195 N/A LEU 69.A N GLY 51.A O no hydrogen 3.165 N/A PHE 70.A N GLN 79.A O no hydrogen 3.176 N/A MET 71.A N THR 48.A O no hydrogen 2.952 N/A ASN 72.A ND2 TRP 43.A O no hydrogen 2.547 N/A ASN 73.A N ASN 45.A O no hydrogen 3.224 N/A ALA 74.A N ASN 72.A OD1 no hydrogen 2.971 N/A ASP 75.A N ASN 72.A O no hydrogen 3.466 N/A ASN 77.A N ASP 75.A OD1 no hydrogen 2.826 N/A GLN 79.A N PHE 70.A O no hydrogen 3.004 N/A ALA 81.A N PHE 68.A O no hydrogen 3.269 N/A THR 82.A OG1 GLN 65.A OE1 no hydrogen 3.427 N/A THR 82.A OG1 GLU 67.A OE2 no hydrogen 2.401 N/A GLU 83.A N ALA 66.A O no hydrogen 2.880 N/A LYS 84.A N GLU 102.A O no hydrogen 3.387 N/A LYS 84.A NZ GLU 61.A OE1 no hydrogen 3.101 N/A VAL 85.A N ILE 64.A O no hydrogen 3.097 N/A THR 86.A N ARG 100.A O no hydrogen 2.938 N/A ALA 87.A N LYS 62.A O no hydrogen 2.896 N/A VAL 88.A N ALA 98.A O no hydrogen 2.822 N/A MET 90.A N ASN 97.A OD1 no hydrogen 2.966 N/A TYR 93.A OH GLN 16.A OE1 no hydrogen 2.730 N/A ASN 94.A N GLU 9.A OE1 no hydrogen 2.820 N/A ASN 94.A N GLU 9.A OE2 no hydrogen 3.239 N/A ARG 95.A N GLU 9.A OE2 no hydrogen 3.201 N/A ARG 95.A NH2 ASP 17.A OD2 no hydrogen 3.065 N/A ASN 97.A N VAL 88.A O no hydrogen 3.072 N/A ASN 97.A ND2 MET 90.A O no hydrogen 3.233 N/A PHE 99.A N ASP 111.A O no hydrogen 2.592 N/A ARG 100.A N THR 86.A O no hydrogen 2.882 N/A TYR 101.A N PHE 109.A O no hydrogen 2.775 N/A GLU 102.A N LYS 84.A O no hydrogen 2.799 N/A THR 103.A N GLN 107.A O no hydrogen 2.868 N/A THR 103.A OG1 ASP 105.A OD1 no hydrogen 2.894 N/A GLY 106.A N THR 103.A O no hydrogen 2.768 N/A GLN 107.A N THR 103.A OG1 no hydrogen 2.962 N/A PHE 109.A N TYR 101.A O no hydrogen 3.141 N/A ASP 111.A N PHE 99.A O no hydrogen 2.885 N/A VAL 112.A N TYR 124.A O no hydrogen 2.932 N/A ILE 113.A N ASN 97.A O no hydrogen 2.946 N/A ALA 114.A N VAL 122.A O no hydrogen 2.964 N/A TYR 115.A N VAL 122.A O no hydrogen 3.418 N/A SER 116.A N HIS 15.A O no hydrogen 2.694 N/A SER 116.A OG ASP 117.A O no hydrogen 3.314 N/A SER 116.A OG CYS 120.A O no hydrogen 3.352 N/A SER 116.A OG ASP 121.A OD1 no hydrogen 3.022 N/A ASP 117.A N CYS 120.A O no hydrogen 2.860 N/A CYS 120.A N ASP 117.A O no hydrogen 3.243 N/A CYS 120.A SG ASN 119.A OD1 no hydrogen 3.738 N/A CYS 120.A SG ASN 148.A OD1 no hydrogen 3.750 N/A ASP 121.A N TRP 138.A O no hydrogen 3.066 N/A VAL 122.A N TYR 115.A O no hydrogen 2.757 N/A ILE 123.A N GLU 136.A O no hydrogen 3.042 N/A TYR 124.A N VAL 112.A O no hydrogen 2.700 N/A TYR 124.A OH GLU 133.A OE2 no hydrogen 3.000 N/A VAL 125.A N GLY 134.A O no hydrogen 2.987 N/A GLY 134.A N VAL 125.A O no hydrogen 3.160 N/A TYR 135.A N THR 36.A OG1 no hydrogen 3.036 N/A GLU 136.A N ILE 123.A O no hydrogen 2.714 N/A LEU 137.A N LYS 34.A O no hydrogen 2.877 N/A TRP 138.A N ASP 121.A O no hydrogen 3.049 N/A TRP 138.A NE1 GLU 136.A OE1 no hydrogen 2.931 N/A THR 139.A N TYR 31.A O no hydrogen 3.044 N/A THR 139.A OG1 ASP 141.A O no hydrogen 2.916 N/A THR 140.A N ASN 119.A O no hydrogen 3.169 N/A ASP 141.A N THR 139.A OG1 no hydrogen 3.326 N/A ASN 144.A N ASP 141.A O no hydrogen 3.159 N/A ASN 144.A ND2 ASP 141.A OD2 no hydrogen 2.883 N/A LEU 150.A N PRO 146.A O no hydrogen 3.209 N/A ASN 151.A N ALA 147.A O no hydrogen 2.785 N/A LYS 152.A N ASN 148.A O no hydrogen 2.923 N/A PHE 153.A N CYS 149.A O no hydrogen 2.730 N/A ASN 154.A N LEU 150.A O no hydrogen 2.730 N/A GLU 155.A N ASN 151.A O no hydrogen 3.034 N/A TYR 156.A N LYS 152.A O no hydrogen 2.916 N/A ALA 157.A N PHE 153.A O no hydrogen 2.899 N/A VAL 158.A N GLU 155.A O no hydrogen 3.138 N/A ARG 160.A N ALA 157.A O no hydrogen 2.983 N/A ARG 160.A NH2 GLU 133.A OE2 no hydrogen 2.647 N/A ARG 163.A N ALA 35.A O no hydrogen 3.021 N/A ARG 163.A NE TYR 37.A O no hydrogen 2.882 N/A ARG 163.A NH1 PHE 47.A O no hydrogen 2.856 N/A ARG 163.A NH2 TYR 37.A O no hydrogen 2.919 N/A ARG 163.A NH2 PHE 47.A O no hydrogen 2.889 N/A VAL 165.A N VAL 33.A O no hydrogen 2.573 N/A PHE 166.A N MET 32.A O no hydrogen 2.678 N/A CYS 170.A N THR 167.A O no hydrogen 2.884 N/A CYS 170.A SG VAL 165.A O no hydrogen 4.044 N/A CYS 170.A SG THR 167.A O no hydrogen 3.243 N/A LEU 171.A N SER 168.A O no hydrogen 3.093 N/A GLU 172.A N ALA 169.A O no hydrogen 3.254 N/A