Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nqd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N TYR 171.A O no hydrogen 2.993 N/A TRP 8.A N VAL 169.A O no hydrogen 2.864 N/A TRP 8.A NE1 VAL 127.A O no hydrogen 2.678 N/A ARG 9.A N ASP 7.A OD1 no hydrogen 3.011 N/A ARG 9.A NE ASP 7.A OD1 no hydrogen 3.115 N/A ARG 9.A NE ASP 7.A OD2 no hydrogen 3.371 N/A ARG 9.A NH2 ASP 7.A OD2 no hydrogen 2.980 N/A GLU 10.A N ASP 7.A O no hydrogen 3.084 N/A LYS 11.A N TRP 8.A O no hydrogen 3.079 N/A GLY 12.A N ARG 9.A O no hydrogen 3.319 N/A TYR 13.A N TRP 8.A O no hydrogen 3.316 N/A THR 15.A OG1 PRO 16.A O no hydrogen 3.538 N/A THR 15.A OG1 GLU 36.A OE1 no hydrogen 2.898 N/A LYS 18.A NZ GLU 36.A OE2 no hydrogen 2.885 N/A LYS 18.A NZ SER 48.A OG no hydrogen 2.973 N/A LYS 18.A NZ LEU 49.A O no hydrogen 3.283 N/A LYS 18.A NZ GLU 51.A OE2 no hydrogen 2.683 N/A LYS 18.A NZ GLU 87.A OE2 no hydrogen 2.965 N/A GLN 20.A N SER 189.A O no hydrogen 2.813 N/A GLN 20.A NE2 CYS 23.A O no hydrogen 2.842 N/A GLY 21.A N ASN 19.A OD1 no hydrogen 2.901 N/A CYS 23.A N GLY 21.A O no hydrogen 2.936 N/A CYS 23.A SG SER 25.A OG no hydrogen 3.344 N/A CYS 23.A SG TYR 92.A OH no hydrogen 3.600 N/A GLY 24.A N CYS 66.A O no hydrogen 2.812 N/A SER 25.A OG CYS 23.A O no hydrogen 3.569 N/A SER 25.A OG TYR 92.A OH no hydrogen 2.747 N/A TRP 27.A NE1 GLY 65.A O no hydrogen 3.116 N/A ALA 28.A N SER 25.A O no hydrogen 2.757 N/A PHE 29.A N SER 25.A O no hydrogen 3.440 N/A SER 30.A N ALA 26.A O no hydrogen 2.802 N/A SER 30.A OG SER 134.A OG no hydrogen 3.158 N/A SER 30.A OG VAL 166.A O no hydrogen 2.720 N/A ALA 31.A N TRP 27.A O no hydrogen 2.994 N/A THR 32.A N ALA 28.A O no hydrogen 2.936 N/A THR 32.A OG1 ALA 28.A O no hydrogen 3.354 N/A THR 32.A OG1 PHE 29.A O no hydrogen 3.115 N/A THR 32.A OG1 GLU 51.A OE2 no hydrogen 2.620 N/A GLY 33.A N PHE 29.A O no hydrogen 2.904 N/A ALA 34.A N SER 30.A O no hydrogen 3.078 N/A LEU 35.A N ALA 31.A O no hydrogen 2.962 N/A GLU 36.A N THR 32.A O no hydrogen 2.716 N/A GLY 37.A N GLY 33.A O no hydrogen 3.101 N/A GLN 38.A N ALA 34.A O no hydrogen 3.022 N/A GLN 38.A NE2 VAL 130.A O no hydrogen 2.951 N/A MET 39.A N LEU 35.A O no hydrogen 2.852 N/A PHE 40.A N GLU 36.A O no hydrogen 3.008 N/A ARG 41.A N GLY 37.A O no hydrogen 3.041 N/A ARG 41.A NE.A TYR 13.A OH no hydrogen 2.788 N/A ARG 41.A NH1.A THR 129.A O no hydrogen 2.848 N/A ARG 41.A NH1.B THR 129.A O no hydrogen 3.006 N/A ARG 41.A NH2.A TYR 13.A OH no hydrogen 3.040 N/A LYS 42.A N GLN 38.A O no hydrogen 3.051 N/A LYS 42.A NZ VAL 221.A O no hydrogen 3.055 N/A THR 43.A N MET 39.A O no hydrogen 2.905 N/A THR 43.A OG1 MET 39.A O no hydrogen 3.026 N/A GLY 44.A N PHE 40.A O no hydrogen 2.801 N/A ARG 45.A N THR 43.A OG1 no hydrogen 2.936 N/A SER 48.A OG GLU 87.A OE2 no hydrogen 3.518 N/A LEU 49.A N GLU 36.A OE2 no hydrogen 2.850 N/A SER 50.A N ASP 85.A O no hydrogen 3.045 N/A SER 50.A OG TYR 90.A O no hydrogen 2.610 N/A GLN 52.A NE2 ASP 56.A OD1 no hydrogen 2.823 N/A GLN 52.A NE2 ASP 56.A OD2 no hydrogen 3.517 N/A GLN 52.A NE2 THR 95.A O no hydrogen 2.746 N/A ASN 53.A N SER 50.A OG no hydrogen 2.943 N/A ASN 53.A ND2 TYR 77.A OH no hydrogen 2.945 N/A VAL 55.A N GLU 51.A O no hydrogen 2.887 N/A ASP 56.A N GLN 52.A O no hydrogen 2.789 N/A CYS 57.A SG TYR 90.A OH no hydrogen 3.915 N/A SER 58.A N LEU 54.A O no hydrogen 3.141 N/A SER 58.A OG LEU 54.A O no hydrogen 2.587 N/A GLN 61.A N SER 58.A O no hydrogen 3.207 N/A GLY 62.A N GLY 59.A O no hydrogen 2.875 N/A ASN 63.A N SER 58.A O no hydrogen 3.274 N/A ASN 63.A ND2 SER 58.A OG no hydrogen 2.914 N/A GLU 64.A N GLY 68.A O no hydrogen 2.791 N/A CYS 66.A SG ALA 94.A O no hydrogen 3.783 N/A ASN 67.A N GLU 64.A O no hydrogen 2.821 N/A GLY 68.A N GLY 65.A O no hydrogen 3.432 N/A LEU 70.A N ASN 63.A OD1 no hydrogen 2.775 N/A ALA 74.A N LEU 70.A O no hydrogen 3.050 N/A PHE 75.A N MET 71.A O no hydrogen 2.833 N/A GLN 76.A N ASP 72.A O no hydrogen 2.993 N/A GLN 76.A NE2 ASP 80.A OD1 no hydrogen 2.837 N/A TYR 77.A N TYR 73.A O no hydrogen 2.926 N/A VAL 78.A N ALA 74.A O no hydrogen 3.070 N/A GLN 79.A N PHE 75.A O no hydrogen 3.219 N/A ASP 80.A N GLN 76.A O no hydrogen 2.827 N/A ASN 81.A N TYR 77.A O no hydrogen 2.755 N/A ASN 81.A ND2 GLY 83.A O no hydrogen 2.988 N/A GLY 82.A N VAL 78.A O no hydrogen 3.050 N/A GLY 82.A N GLN 79.A O no hydrogen 3.266 N/A GLY 83.A N VAL 78.A O no hydrogen 3.229 N/A LEU 84.A N SER 106.A OG no hydrogen 3.087 N/A ASP 85.A N ASN 53.A OD1 no hydrogen 2.881 N/A SER 86.A N TYR 105.A O no hydrogen 3.370 N/A SER 86.A OG SER 89.A OG no hydrogen 3.171 N/A GLU 87.A N SER 48.A O no hydrogen 2.856 N/A SER 89.A N SER 86.A OG no hydrogen 3.056 N/A SER 89.A OG SER 86.A O no hydrogen 3.018 N/A SER 89.A OG SER 86.A OG no hydrogen 3.171 N/A TYR 90.A N GLU 87.A O no hydrogen 3.191 N/A TYR 90.A OH ASP 56.A OD2 no hydrogen 2.587 N/A TYR 92.A OH GLN 20.A O no hydrogen 2.671 N/A TYR 92.A OH SER 25.A OG no hydrogen 2.747 N/A GLU 93.A N GLN 52.A OE1 no hydrogen 2.709 N/A THR 95.A OG1 GLU 97.A OE2 no hydrogen 2.640 N/A GLU 97.A N ASP 56.A OD1 no hydrogen 2.864 N/A LYS 100.A N TYR 90.A OH no hydrogen 2.941 N/A LYS 100.A NZ SER 98.A O no hydrogen 2.908 N/A LYS 100.A NZ SER 98.A OG no hydrogen 3.171 N/A ASN 102.A N ASP 85.A OD2 no hydrogen 2.873 N/A LYS 104.A N ASN 102.A OD1 no hydrogen 2.964 N/A LYS 104.A NZ TYR 105.A OH no hydrogen 2.884 N/A TYR 105.A N ASN 102.A O no hydrogen 3.022 N/A SER 106.A N PRO 103.A O no hydrogen 3.116 N/A SER 106.A OG LEU 84.A O no hydrogen 3.355 N/A VAL 107.A N LEU 84.A O no hydrogen 2.942 N/A THR 111.A N THR 220.A O no hydrogen 2.859 N/A THR 111.A OG1 THR 220.A O no hydrogen 3.245 N/A THR 111.A OG1 THR 220.A OG1 no hydrogen 2.889 N/A GLY 112.A N ASP 110.A OD2 no hydrogen 3.398 N/A VAL 114.A N TYR 218.A O no hydrogen 2.921 N/A ILE 116.A N ALA 216.A O no hydrogen 2.933 N/A LYS 118.A NZ.B SER 214.A O no hydrogen 2.766 N/A GLN 119.A N PRO 117.A O no hydrogen 2.752 N/A LEU 123.A N GLN 119.A O no hydrogen 3.008 N/A MET 124.A N GLU 120.A O no hydrogen 2.869 N/A LYS 125.A N LYS 121.A O no hydrogen 3.081 N/A LYS 125.A NZ GLU 1P.A OE1.A no hydrogen 3.342 N/A ALA 126.A N ALA 122.A O no hydrogen 2.964 N/A VAL 127.A N LEU 123.A O no hydrogen 2.895 N/A ALA 128.A N MET 124.A O no hydrogen 3.000 N/A THR 129.A N LYS 125.A O no hydrogen 2.950 N/A THR 129.A N ALA 126.A O no hydrogen 3.237 N/A THR 129.A OG1 LYS 125.A O no hydrogen 2.775 N/A VAL 130.A N ALA 126.A O no hydrogen 2.771 N/A ILE 133.A N VAL 168.A O no hydrogen 2.923 N/A SER 134.A N SER 217.A O no hydrogen 2.916 N/A SER 134.A OG SER 30.A O no hydrogen 3.135 N/A SER 134.A OG SER 30.A OG no hydrogen 3.158 N/A VAL 135.A N VAL 166.A O no hydrogen 3.015 N/A ILE 137.A N HIS 164.A O no hydrogen 2.883 N/A ASP 138.A N CYS 210.A O no hydrogen 2.849 N/A ALA 139.A N ASP 163.A OD2 no hydrogen 2.897 N/A GLY 140.A N ASP 138.A OD1 no hydrogen 3.209 N/A HIS 141.A N ALA 139.A O no hydrogen 2.898 N/A HIS 141.A NE2 ASP 138.A OD2 no hydrogen 2.968 N/A SER 143.A OG TYR 152.A OH no hydrogen 2.652 N/A SER 143.A OG GLU 154.A OE2 no hydrogen 2.607 N/A PHE 144.A N HIS 141.A O no hydrogen 2.925 N/A LEU 145.A N HIS 141.A O no hydrogen 3.487 N/A PHE 146.A N GLU 142.A O no hydrogen 3.006 N/A TYR 147.A N PHE 144.A O no hydrogen 3.191 N/A TYR 147.A OH GLY 150.A O no hydrogen 2.643 N/A LYS 148.A NZ PHE 146.A O no hydrogen 3.139 N/A TYR 152.A N LYS 201.A O no hydrogen 2.737 N/A TYR 152.A OH SER 143.A OG no hydrogen 2.652 N/A GLU 154.A N HIS 209.A NE2.A no hydrogen 2.825 N/A ASP 156.A N GLU 154.A OE1 no hydrogen 2.862 N/A CYS 157.A N GLU 154.A O no hydrogen 2.956 N/A CYS 157.A SG ASP 138.A O no hydrogen 3.278 N/A SER 158.A N ASP 138.A OD2 no hydrogen 2.821 N/A SER 159.A OG ARG 207.A O no hydrogen 3.299 N/A SER 159.A OG ASN 208.A O no hydrogen 2.833 N/A GLU 160.A N SER 158.A OG no hydrogen 3.025 N/A ASP 161.A N SER 158.A OG no hydrogen 2.971 N/A ASP 163.A N ILE 137.A O no hydrogen 2.947 N/A HIS 164.A N ILE 137.A O no hydrogen 3.043 N/A HIS 164.A NE2 ASN 188.A OD1 no hydrogen 2.911 N/A VAL 166.A N VAL 135.A O no hydrogen 2.899 N/A LEU 167.A N LYS 187.A O no hydrogen 3.227 N/A VAL 168.A N ILE 133.A O no hydrogen 2.839 N/A VAL 169.A N LEU 185.A O no hydrogen 2.898 N/A TYR 171.A N VAL 6.A O no hydrogen 2.976 N/A TYR 171.A OH PRO 3.A O no hydrogen 2.719 N/A GLY 172.A N TYR 183.A O no hydrogen 2.904 N/A GLU 174.A N ASN 181.A O no hydrogen 2.899 N/A THR 176.A OG1 GLU 177.A OE2.A no hydrogen 2.575 N/A ASN 181.A ND2 GLU 174.A O no hydrogen 3.106 N/A ASN 181.A ND2 GLU 177.A O no hydrogen 3.457 N/A LYS 182.A NZ ASP 205.A OD2 no hydrogen 3.091 N/A TYR 183.A N GLY 172.A O no hydrogen 2.983 N/A TRP 184.A N MET 202.A O no hydrogen 2.792 N/A TRP 184.A NE1 GLU 120.A OE2 no hydrogen 2.872 N/A LEU 185.A N GLY 170.A O no hydrogen 2.876 N/A VAL 186.A N VAL 200.A O no hydrogen 2.941 N/A LYS 187.A N LEU 167.A O no hydrogen 2.812 N/A LYS 187.A NZ THR 15.A O no hydrogen 2.872 N/A LYS 187.A NZ PRO 16.A O no hydrogen 3.306 N/A ASN 188.A N GLY 198.A O no hydrogen 3.183 N/A SER 189.A N ASN 188.A OD1 no hydrogen 2.827 N/A SER 189.A OG GLN 20.A OE1 no hydrogen 2.768 N/A GLY 191.A N LYS 18.A O no hydrogen 2.996 N/A TRP 194.A N GLY 191.A O no hydrogen 3.488 N/A TRP 194.A NE1 PHE 144.A O no hydrogen 2.978 N/A MET 196.A N TYR 199.A O no hydrogen 2.816 N/A GLY 198.A N TRP 194.A O no hydrogen 2.791 N/A TYR 199.A N MET 196.A O no hydrogen 3.098 N/A VAL 200.A N VAL 186.A O no hydrogen 2.890 N/A LYS 201.A N TYR 147.A OH no hydrogen 3.314 N/A LYS 201.A NZ GLU 174.A OE2 no hydrogen 2.834 N/A MET 202.A N TRP 184.A O no hydrogen 2.884 N/A ALA 203.A N TYR 152.A O no hydrogen 3.013 N/A LYS 204.A N LYS 182.A O no hydrogen 3.057 N/A LYS 204.A NZ ASP 205.A OD2 no hydrogen 2.906 N/A ASP 205.A N GLU 120.A OE2 no hydrogen 3.010 N/A ASN 208.A N GLU 120.A OE1 no hydrogen 2.803 N/A ASN 208.A ND2 SER 214.A OG no hydrogen 2.929 N/A CYS 210.A SG ASP 138.A O no hydrogen 3.830 N/A GLY 211.A N ASN 208.A O no hydrogen 3.019 N/A ILE 212.A N HIS 209.A O no hydrogen 3.477 N/A ALA 213.A N ASN 208.A OD1 no hydrogen 2.850 N/A SER 214.A N GLY 211.A O no hydrogen 2.941 N/A SER 214.A OG SER 159.A O no hydrogen 2.763 N/A SER 217.A N SER 134.A O no hydrogen 2.897 N/A SER 217.A OG ASP 72.A OD1 no hydrogen 2.632 N/A TYR 218.A N VAL 114.A O no hydrogen 3.043 N/A THR 220.A N GLY 112.A O no hydrogen 2.934 N/A THR 220.A OG1 THR 111.A OG1 no hydrogen 2.889 N/A