Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nqd_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 25.A OD1 no hydrogen 3.423 N/A ALA 1.A N ASP 25.A OD2 no hydrogen 2.812 N/A THR 4.A N ALA 23.A O no hydrogen 2.804 N/A GLN 5.A N GLU 107.A OE1 no hydrogen 3.095 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.599 N/A GLN 5.A NE2 SER 109.A OG no hydrogen 2.920 N/A THR 6.A N GLN 21.A O no hydrogen 3.111 N/A GLN 10.A N ARG 110.A O no hydrogen 2.956 N/A GLN 10.A NE2 VAL 11.A O no hydrogen 2.876 N/A LEU 12.A N THR 112.A O no hydrogen 2.891 N/A LYS 13.A N GLN 16.A OE1 no hydrogen 2.831 N/A THR 14.A N LEU 114.A O no hydrogen 2.803 N/A GLY 15.A N ALA 80.A O no hydrogen 2.747 N/A GLN 16.A N LYS 13.A O no hydrogen 3.014 N/A MET 18.A N LEU 77.A O no hydrogen 2.737 N/A LEU 20.A N LEU 75.A O no hydrogen 2.813 N/A GLN 21.A N THR 6.A O no hydrogen 3.014 N/A ALA 23.A N THR 4.A O no hydrogen 2.962 N/A GLN 24.A N ARG 71.A O no hydrogen 2.952 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 3.166 N/A GLN 24.A NE2 LYS 70.A O no hydrogen 2.997 N/A ASP 25.A N GLY 2.A O no hydrogen 3.286 N/A MET 26.A N GLN 24.A OE1 no hydrogen 3.131 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 3.066 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.662 N/A ASN 29.A N VAL 94.A O no hydrogen 3.027 N/A ASN 29.A ND2 VAL 94.A O no hydrogen 2.881 N/A SER 30.A N SER 93.A O no hydrogen 3.035 N/A SER 30.A OG ALA 49.A O no hydrogen 2.660 N/A SER 30.A OG THR 96.A OG1 no hydrogen 3.399 N/A MET 31.A N SER 48.A O no hydrogen 2.971 N/A TYR 32.A N ALA 91.A O no hydrogen 2.824 N/A TYR 32.A OH SER 93.A OG no hydrogen 2.738 N/A TRP 33.A N TYR 46.A O no hydrogen 3.039 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 2.686 N/A TYR 34.A N PHE 89.A O no hydrogen 2.719 N/A ARG 35.A N ARG 43.A O no hydrogen 2.989 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 2.925 N/A ARG 35.A NH1 SER 83.A O no hydrogen 3.310 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 2.885 N/A ARG 35.A NH2 ASP 37.A OD2 no hydrogen 3.542 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.818 N/A GLN 36.A N VAL 87.A O no hydrogen 2.806 N/A MET 40.A N ASP 37.A O no hydrogen 3.271 N/A ARG 43.A N ARG 35.A O no hydrogen 3.027 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 3.011 N/A ILE 45.A N TRP 33.A O no hydrogen 2.857 N/A TYR 46.A OH TYR 63.A O no hydrogen 3.428 N/A TYR 47.A N ASP 55.A O no hydrogen 2.927 N/A SER 48.A N MET 31.A O no hydrogen 2.777 N/A SER 48.A OG SER 50.A O no hydrogen 3.196 N/A SER 48.A OG THR 53.A O no hydrogen 2.637 N/A THR 53.A N SER 50.A O no hydrogen 3.328 N/A ASP 55.A N TYR 47.A O no hydrogen 2.990 N/A LYS 56.A N ASP 55.A OD1 no hydrogen 2.803 N/A GLY 57.A N ILE 45.A O no hydrogen 2.825 N/A GLU 58.A N LEU 44.A O no hydrogen 2.776 N/A VAL 59.A N LEU 44.A O no hydrogen 2.986 N/A TYR 63.A N PRO 60.A O no hydrogen 3.102 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.689 N/A ASN 64.A N ARG 76.A O no hydrogen 3.140 N/A ASN 64.A ND2 TYR 63.A O no hydrogen 3.474 N/A VAL 65.A N ASN 64.A OD1 no hydrogen 3.140 N/A SER 66.A N SER 74.A O no hydrogen 3.101 N/A ARG 67.A NE ASN 69.A O no hydrogen 2.998 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 2.856 N/A ARG 67.A NH1 LYS 70.A O no hydrogen 2.810 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 2.809 N/A ARG 67.A NH2 SER 48.A OG no hydrogen 2.846 N/A ASN 69.A ND2 GLU 72.A OE1 no hydrogen 2.986 N/A LYS 70.A NZ ASN 27.A OD1 no hydrogen 2.679 N/A ARG 71.A N ASN 69.A OD1 no hydrogen 3.060 N/A ARG 71.A NH2 GLU 72.A OE1 no hydrogen 3.556 N/A GLU 72.A N ASN 69.A OD1 no hydrogen 3.016 N/A PHE 73.A N CYS 22.A O no hydrogen 2.995 N/A SER 74.A N SER 66.A O no hydrogen 3.151 N/A LEU 75.A N LEU 20.A O no hydrogen 2.915 N/A ARG 76.A N ASN 64.A O no hydrogen 2.709 N/A ARG 76.A NE GLU 78.A OE1 no hydrogen 3.351 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 2.977 N/A ARG 76.A NH1 THR 19.A OG1 no hydrogen 2.718 N/A ARG 76.A NH2 GLU 78.A OE1 no hydrogen 3.076 N/A LEU 77.A N MET 18.A O no hydrogen 2.749 N/A ALA 80.A N GLN 16.A O no hydrogen 2.805 N/A ALA 81.A N GLN 84.A OE1 no hydrogen 2.929 N/A GLN 84.A N ALA 81.A O no hydrogen 2.849 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.048 N/A THR 85.A N PRO 82.A O no hydrogen 3.137 N/A THR 85.A OG1 PRO 82.A O no hydrogen 2.969 N/A THR 85.A OG1 VAL 113.A O no hydrogen 3.363 N/A SER 86.A N LEU 111.A O no hydrogen 3.143 N/A SER 86.A OG GLN 36.A O no hydrogen 3.047 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.762 N/A SER 86.A OG ASP 37.A OD2 no hydrogen 3.333 N/A VAL 87.A N GLN 36.A O no hydrogen 3.387 N/A TYR 88.A N SER 109.A O no hydrogen 2.808 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.689 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.571 N/A PHE 89.A N TYR 34.A O no hydrogen 2.863 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 3.201 N/A CYS 90.A SG TYR 32.A O no hydrogen 3.756 N/A ALA 91.A N TYR 32.A O no hydrogen 2.880 N/A SER 92.A N PHE 104.A O no hydrogen 2.878 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.662 N/A SER 93.A N SER 30.A O no hydrogen 2.938 N/A SER 93.A OG TYR 32.A OH no hydrogen 2.738 N/A SER 93.A OG TRP 95.A O no hydrogen 2.909 N/A THR 96.A OG1 SER 30.A OG no hydrogen 3.399 N/A THR 96.A OG1 ALA 49.A O no hydrogen 3.447 N/A SER 100.A N GLU 98.A OE2 no hydrogen 3.022 N/A SER 100.A OG GLU 98.A OE1 no hydrogen 3.303 N/A SER 100.A OG GLU 98.A OE2 no hydrogen 2.619 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.804 N/A PHE 104.A N SER 92.A O no hydrogen 2.850 N/A GLY 106.A N CYS 90.A O no hydrogen 2.766 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.838 N/A GLY 108.A N GLN 5.A OE1 no hydrogen 3.164 N/A SER 109.A N TYR 88.A O no hydrogen 2.799 N/A SER 109.A OG PRO 7.A O no hydrogen 2.623 N/A ARG 110.A N LYS 8.A O no hydrogen 2.870 N/A ARG 110.A NH1 ASP 153.A OD2 no hydrogen 2.909 N/A LEU 111.A N SER 86.A O no hydrogen 3.030 N/A THR 112.A N GLN 10.A O no hydrogen 3.000 N/A THR 112.A OG1 HIS 154.A NE2 no hydrogen 2.799 N/A VAL 113.A N THR 85.A OG1 no hydrogen 2.780 N/A LEU 114.A N LEU 12.A O no hydrogen 2.840 N/A LYS 118.A N ASP 116.A OD2 no hydrogen 2.920 N/A VAL 120.A N LEU 117.A O no hydrogen 3.027 N/A PHE 121.A N TYR 151.A O no hydrogen 2.822 N/A GLU 124.A N THR 148.A O no hydrogen 2.823 N/A ALA 126.A N LEU 146.A O no hydrogen 3.105 N/A PHE 128.A N VAL 144.A O no hydrogen 2.799 N/A GLU 134.A N SER 131.A OG no hydrogen 3.117 N/A ILE 135.A N SER 131.A O no hydrogen 3.268 N/A SER 136.A N GLU 132.A O no hydrogen 3.116 N/A SER 136.A OG GLU 132.A O no hydrogen 3.430 N/A SER 136.A OG ALA 133.A O no hydrogen 3.315 N/A HIS 137.A N ALA 133.A O no hydrogen 2.937 N/A THR 138.A N GLU 134.A O no hydrogen 2.738 N/A THR 138.A OG1 GLU 134.A O no hydrogen 2.788 N/A THR 138.A OG1 LYS 140.A O no hydrogen 3.506 N/A GLN 139.A N ILE 135.A O no hydrogen 2.803 N/A GLN 139.A NE2 SER 136.A O no hydrogen 2.897 N/A LYS 140.A N THR 138.A OG1 no hydrogen 3.277 N/A ALA 141.A N VAL 196.A O no hydrogen 2.799 N/A THR 142.A N GLU 134.A OE1 no hydrogen 2.856 N/A THR 142.A OG1 GLU 134.A OE1 no hydrogen 3.365 N/A THR 142.A OG1 GLU 134.A OE2 no hydrogen 2.699 N/A LEU 143.A N LEU 194.A O no hydrogen 2.857 N/A VAL 144.A N PHE 128.A O no hydrogen 3.044 N/A CYS 145.A N SER 192.A O no hydrogen 2.909 N/A CYS 145.A SG ALA 126.A O no hydrogen 3.928 N/A LEU 146.A N ALA 126.A O no hydrogen 2.883 N/A ALA 147.A N LEU 190.A O no hydrogen 2.816 N/A THR 148.A N GLU 124.A O no hydrogen 2.955 N/A GLY 149.A N GLU 179.A OE2 no hydrogen 3.201 N/A PHE 150.A N TYR 188.A O no hydrogen 3.122 N/A TYR 151.A N PHE 121.A O no hydrogen 3.008 N/A HIS 154.A N PRO 152.A O no hydrogen 2.877 N/A HIS 154.A NE2 THR 112.A OG1 no hydrogen 2.799 N/A GLU 156.A N GLN 213.A O no hydrogen 3.040 N/A SER 158.A N GLN 211.A O no hydrogen 2.873 N/A TRP 159.A NE1 SER 192.A OG no hydrogen 2.891 N/A TRP 160.A N ARG 209.A O no hydrogen 2.790 N/A TRP 160.A NE1 SER 158.A OG no hydrogen 3.071 N/A VAL 161.A N LYS 164.A O no hydrogen 2.707 N/A ASN 162.A N HIS 207.A O no hydrogen 2.976 N/A ASN 162.A ND2 ASN 206.A OD1 no hydrogen 2.728 N/A LYS 164.A N VAL 161.A O no hydrogen 2.850 N/A VAL 166.A N TRP 159.A O no hydrogen 2.953 N/A CYS 171.A N ARG 193.A O no hydrogen 2.871 N/A THR 172.A OG1 SER 192.A OG no hydrogen 2.669 N/A ASP 173.A N SER 191.A O no hydrogen 3.016 N/A GLN 175.A NE2 PRO 174.A O no hydrogen 2.994 N/A LEU 177.A N ALA 189.A O no hydrogen 2.758 N/A LYS 178.A NZ LEU 183.A O no hydrogen 3.542 N/A LYS 178.A NZ ASN 184.A O no hydrogen 3.516 N/A GLU 179.A N ARG 187.A O no hydrogen 3.170 N/A GLN 180.A N SER 186.A OG no hydrogen 3.184 N/A LEU 183.A N GLN 180.A O no hydrogen 3.155 N/A ASN 184.A ND2 ASN 184.A O no hydrogen 2.960 N/A SER 186.A OG GLN 180.A O no hydrogen 3.365 N/A SER 186.A OG ARG 187.A O no hydrogen 3.006 N/A ARG 187.A NE GLY 149.A O no hydrogen 2.738 N/A ARG 187.A NH1 GLY 149.A O no hydrogen 3.061 N/A TYR 188.A N PHE 150.A O no hydrogen 2.571 N/A ALA 189.A N LEU 177.A O no hydrogen 2.856 N/A LEU 190.A N ALA 147.A O no hydrogen 2.759 N/A SER 191.A N ASP 173.A OD2 no hydrogen 3.000 N/A SER 191.A OG ASP 173.A OD1 no hydrogen 3.089 N/A SER 191.A OG ASP 173.A OD2 no hydrogen 2.629 N/A SER 192.A N CYS 145.A O no hydrogen 3.045 N/A SER 192.A OG CYS 171.A O no hydrogen 3.202 N/A SER 192.A OG THR 172.A OG1 no hydrogen 2.669 N/A ARG 193.A N CYS 171.A O no hydrogen 2.738 N/A ARG 193.A NH1 ASP 173.A OD1 no hydrogen 3.176 N/A ARG 193.A NH2 CYS 171.A O no hydrogen 3.564 N/A ARG 193.A NH2 ASP 173.A OD1 no hydrogen 2.770 N/A LEU 194.A N LEU 143.A O no hydrogen 2.994 N/A ARG 195.A N GLY 169.A O no hydrogen 2.802 N/A ARG 195.A NE GLU 134.A OE2 no hydrogen 2.960 N/A ARG 195.A NH2 GLU 134.A OE2 no hydrogen 2.869 N/A VAL 196.A N ALA 141.A O no hydrogen 2.861 N/A SER 197.A OG THR 199.A OG1 no hydrogen 3.229 N/A ALA 198.A N GLN 139.A O no hydrogen 2.833 N/A THR 199.A OG1 SER 197.A OG no hydrogen 3.229 N/A PHE 200.A N SER 197.A O no hydrogen 3.233 N/A PHE 200.A N SER 197.A OG no hydrogen 3.149 N/A TRP 201.A N SER 197.A O no hydrogen 3.214 N/A GLN 202.A N ALA 198.A O no hydrogen 2.847 N/A ASN 203.A N PHE 200.A O no hydrogen 3.351 N/A ARG 205.A N ASN 203.A OD1 no hydrogen 3.222 N/A ASN 206.A N ASN 203.A O no hydrogen 3.247 N/A ASN 206.A ND2 PHE 200.A O no hydrogen 2.845 N/A HIS 207.A N ASN 162.A OD1 no hydrogen 2.914 N/A HIS 207.A NE2.B GLU 238.A OE1 no hydrogen 2.726 N/A PHE 208.A N ALA 239.A O no hydrogen 2.747 N/A ARG 209.A N TRP 160.A O no hydrogen 2.765 N/A CYS 210.A N ALA 237.A O no hydrogen 2.836 N/A GLN 211.A N SER 158.A O no hydrogen 2.876 N/A VAL 212.A N VAL 235.A O no hydrogen 2.740 N/A GLN 213.A N GLU 156.A O no hydrogen 2.824 N/A GLN 213.A NE2 PHE 214.A O no hydrogen 3.268 N/A PHE 214.A N GLN 233.A O no hydrogen 2.677 N/A TYR 215.A N HIS 154.A O no hydrogen 3.064 N/A TYR 215.A OH GLU 156.A OE1 no hydrogen 2.585 N/A GLY 216.A N THR 232.A OG1 no hydrogen 2.967 N/A LEU 217.A N PRO 230.A O no hydrogen 3.033 N/A SER 218.A N ASP 221.A OD2 no hydrogen 2.579 N/A ASP 221.A N SER 218.A O no hydrogen 3.100 N/A TRP 223.A NE1 ARG 227.A O no hydrogen 2.839 N/A ARG 227.A NH1 VAL 120.A O no hydrogen 2.879 N/A ARG 227.A NH2 LYS 118.A O no hydrogen 2.667 N/A ARG 227.A NH2 VAL 120.A O no hydrogen 2.744 N/A LYS 229.A NZ SER 218.A O no hydrogen 2.992 N/A LYS 229.A NZ ASP 221.A O no hydrogen 2.671 N/A VAL 231.A N LYS 229.A O no hydrogen 2.885 N/A THR 232.A N LEU 217.A O no hydrogen 3.132 N/A THR 232.A OG1 GLY 216.A O no hydrogen 3.542 N/A GLN 233.A N PHE 214.A O no hydrogen 3.036 N/A GLN 233.A NE2 VAL 231.A O no hydrogen 2.933 N/A VAL 235.A N VAL 212.A O no hydrogen 2.922 N/A SER 236.A OG CYS 210.A O no hydrogen 2.932 N/A ALA 237.A N CYS 210.A O no hydrogen 3.039 N/A ALA 239.A N PHE 208.A O no hydrogen 2.825 N/A GLY 241.A N ASN 206.A O no hydrogen 2.727 N/A ARG 242.A N TRP 201.A O no hydrogen 3.097 N/A