Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLY 30.A O no hydrogen 2.994 N/A ASN 4.A N THR 32.A O no hydrogen 2.781 N/A SER 6.A OG ASN 4.A OD1 no hydrogen 2.411 N/A TRP 7.A N ASN 4.A O no hydrogen 3.467 N/A TRP 7.A NE1 GLU 237.A OE2 no hydrogen 2.817 N/A ASN 8.A N LYS 5.A O no hydrogen 2.952 N/A ASN 8.A ND2 LYS 5.A O no hydrogen 3.300 N/A ALA 9.A N SER 6.A O no hydrogen 3.329 N/A HIS 10.A N TRP 7.A O no hydrogen 2.874 N/A HIS 10.A NE2 GLN 236.A OE1 no hydrogen 2.500 N/A THR 12.A N ASN 8.A O no hydrogen 2.784 N/A THR 12.A OG1 ASN 8.A O no hydrogen 3.299 N/A GLU 13.A N ALA 9.A O no hydrogen 2.742 N/A HIS 14.A N PHE 11.A O no hydrogen 3.093 N/A HIS 14.A NE2 GLU 232.A OE2 no hydrogen 2.912 N/A LYS 15.A N THR 12.A O no hydrogen 2.726 N/A SER 16.A N PHE 11.A O no hydrogen 2.813 N/A SER 16.A OG HIS 14.A O no hydrogen 2.981 N/A VAL 19.A N ASN 214.A O no hydrogen 2.829 N/A VAL 20.A N ASN 33.A OD1 no hydrogen 2.999 N/A VAL 21.A N ALA 212.A O no hydrogen 2.737 N/A LEU 22.A N PHE 31.A O no hydrogen 2.845 N/A TRP 23.A N PHE 210.A O no hydrogen 2.838 N/A TRP 23.A NE1 GLU 25.A OE2 no hydrogen 2.858 N/A ASN 24.A N GLN 29.A O no hydrogen 2.833 N/A GLU 25.A N VAL 208.A O no hydrogen 3.080 N/A ASN 26.A N ASN 207.A OD1 no hydrogen 2.982 N/A ASN 26.A ND2 ASP 206.A O no hydrogen 2.793 N/A LYS 27.A N ASN 24.A OD1 no hydrogen 2.929 N/A GLN 28.A NE2 GLU 25.A O no hydrogen 3.193 N/A GLN 29.A N ASN 24.A O no hydrogen 3.295 N/A PHE 31.A N LEU 22.A O no hydrogen 2.923 N/A THR 32.A N GLN 2.A O no hydrogen 3.017 N/A THR 32.A OG1 VAL 20.A O no hydrogen 2.875 N/A THR 32.A OG1 ASN 33.A OD1 no hydrogen 3.503 N/A ASN 33.A ND2 ASN 8.A OD1 no hydrogen 2.973 N/A ASN 33.A ND2 GLY 18.A O no hydrogen 3.096 N/A ASN 34.A N THR 32.A OG1 no hydrogen 3.289 N/A LEU 35.A N GLU 3.A OE1 no hydrogen 3.032 N/A ARG 37.A N ASN 34.A OD1 no hydrogen 2.763 N/A ARG 37.A NE ASN 214.A OD1 no hydrogen 2.928 N/A ARG 37.A NH1 ASN 214.A OD1 no hydrogen 3.114 N/A ARG 37.A NH1 ASP 216.A OD1 no hydrogen 2.956 N/A ARG 37.A NH2 ASP 216.A OD1 no hydrogen 2.852 N/A ALA 38.A N ASN 34.A O no hydrogen 2.903 N/A ASN 39.A N LYS 36.A O no hydrogen 3.112 N/A GLN 40.A N ARG 37.A O no hydrogen 2.903 N/A PHE 42.A N ILE 140.A O no hydrogen 2.806 N/A ALA 45.A N TRP 133.A O no hydrogen 3.033 N/A SER 46.A OG SER 94.A OG no hydrogen 3.345 N/A THR 47.A N PRO 44.A O no hydrogen 3.187 N/A THR 47.A OG1 PRO 44.A O no hydrogen 2.620 N/A PHE 48.A N ALA 45.A O no hydrogen 3.028 N/A LYS 49.A N SER 46.A O no hydrogen 3.076 N/A LYS 49.A NZ SER 46.A OG no hydrogen 3.294 N/A LYS 49.A NZ SER 94.A OG no hydrogen 2.723 N/A ILE 50.A N THR 47.A O no hydrogen 3.297 N/A ASN 52.A N PHE 48.A O no hydrogen 2.991 N/A ASN 52.A ND2 TYR 99.A O no hydrogen 3.276 N/A SER 53.A N LYS 49.A O no hydrogen 2.902 N/A SER 53.A OG LYS 49.A O no hydrogen 2.610 N/A SER 53.A OG TYR 99.A OH no hydrogen 2.782 N/A LEU 54.A N ILE 50.A O no hydrogen 3.094 N/A ILE 55.A N PRO 51.A O no hydrogen 2.962 N/A ALA 56.A N ASN 52.A O no hydrogen 2.925 N/A LEU 57.A N SER 53.A O no hydrogen 2.922 N/A ASP 58.A N LEU 54.A O no hydrogen 3.008 N/A LEU 59.A N ILE 55.A O no hydrogen 3.032 N/A GLY 60.A N LEU 57.A O no hydrogen 3.092 N/A VAL 62.A N ALA 56.A O no hydrogen 3.167 N/A LYS 63.A N GLN 67.A OE1 no hydrogen 2.669 N/A GLU 65.A N GLU 65.A OE2 no hydrogen 2.673 N/A HIS 66.A N ASP 64.A OD1 no hydrogen 2.757 N/A GLN 67.A N ASP 64.A O no hydrogen 3.414 N/A GLN 67.A N ASP 64.A OD1 no hydrogen 2.846 N/A PHE 69.A N HIS 85.A O no hydrogen 2.652 N/A LYS 70.A NZ ASP 84.A OD2 no hydrogen 3.105 N/A TRP 71.A N ASP 84.A OD1 no hydrogen 2.979 N/A TRP 71.A NE1 GLN 74.A O no hydrogen 2.863 N/A GLN 74.A N ASP 72.A OD1 no hydrogen 2.943 N/A ARG 76.A N ASN 82.A OD1 no hydrogen 2.909 N/A ARG 76.A NH1 ASP 72.A OD2 no hydrogen 2.869 N/A ARG 76.A NH2 ASP 72.A OD1 no hydrogen 3.108 N/A TRP 81.A N ILE 78.A O no hydrogen 3.012 N/A TRP 81.A NE1 TYR 93.A O no hydrogen 2.932 N/A ASN 82.A N ALA 79.A O no hydrogen 2.920 N/A ASN 82.A ND2 ARG 76.A O no hydrogen 3.168 N/A HIS 85.A N PHE 69.A O no hydrogen 3.060 N/A HIS 85.A ND1 THR 89.A OG1 no hydrogen 2.898 N/A HIS 85.A NE2 THR 80.A O no hydrogen 2.770 N/A ASN 86.A N THR 89.A OG1 no hydrogen 3.042 N/A THR 89.A N ASN 86.A OD1 no hydrogen 2.803 N/A THR 89.A OG1 HIS 85.A ND1 no hydrogen 2.898 N/A THR 89.A OG1 ASN 86.A O no hydrogen 3.414 N/A THR 89.A OG1 ASN 86.A OD1 no hydrogen 3.318 N/A ALA 90.A N ASN 86.A O no hydrogen 2.733 N/A MET 91.A N LEU 87.A O no hydrogen 2.943 N/A LYS 92.A N ILE 88.A O no hydrogen 3.123 N/A TYR 93.A N THR 89.A O no hydrogen 2.971 N/A SER 94.A N MET 91.A O no hydrogen 3.253 N/A SER 94.A OG SER 46.A OG no hydrogen 3.345 N/A VAL 95.A N ALA 90.A O no hydrogen 3.016 N/A TYR 99.A N VAL 95.A O no hydrogen 3.459 N/A TYR 99.A OH SER 53.A OG no hydrogen 2.782 N/A GLN 100.A N VAL 96.A O no hydrogen 2.851 N/A GLN 100.A NE2 ASP 130.A O no hydrogen 3.336 N/A GLU 101.A N PRO 97.A O no hydrogen 3.073 N/A PHE 102.A N VAL 98.A O no hydrogen 3.076 N/A ALA 103.A N TYR 99.A O no hydrogen 3.070 N/A ARG 104.A N GLN 100.A O no hydrogen 2.932 N/A ARG 104.A NE GLU 101.A OE1 no hydrogen 3.305 N/A ARG 104.A NH1 ASP 130.A OD2 no hydrogen 2.837 N/A ARG 104.A NH2 GLU 101.A OE1 no hydrogen 2.823 N/A GLN 105.A N GLU 101.A O no hydrogen 3.032 N/A GLN 105.A NE2 GLU 101.A OE2 no hydrogen 2.778 N/A ILE 106.A N PHE 102.A O no hydrogen 2.871 N/A GLY 107.A N ALA 103.A O no hydrogen 2.995 N/A ARG 110.A NE ILE 106.A O no hydrogen 2.865 N/A ARG 110.A NH1 GLN 105.A O no hydrogen 2.890 N/A ARG 110.A NH1 ILE 106.A O no hydrogen 3.102 N/A MET 111.A N GLY 107.A O no hydrogen 2.896 N/A SER 112.A N GLU 108.A O no hydrogen 3.002 N/A LYS 113.A N ALA 109.A O no hydrogen 3.158 N/A MET 114.A N ARG 110.A O no hydrogen 3.112 N/A LEU 115.A N MET 111.A O no hydrogen 3.074 N/A HIS 116.A N SER 112.A O no hydrogen 3.042 N/A HIS 116.A ND1 GLU 123.A OE1 no hydrogen 2.615 N/A ALA 117.A N LYS 113.A O no hydrogen 2.897 N/A PHE 118.A N MET 114.A O no hydrogen 2.648 N/A ASP 119.A N HIS 116.A O no hydrogen 3.005 N/A TYR 120.A N LEU 115.A O no hydrogen 3.026 N/A ASN 122.A N ARG 139.A O no hydrogen 2.981 N/A ASN 122.A ND2 GLY 137.A O no hydrogen 3.041 N/A GLU 123.A N TYR 120.A O no hydrogen 3.027 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 3.322 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.960 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.391 N/A SER 126.A OG ASP 124.A OD2 no hydrogen 3.431 N/A ASN 128.A ND2 SER 131.A OG no hydrogen 2.939 N/A SER 131.A N ASN 128.A O no hydrogen 3.096 N/A SER 131.A OG ASP 135.A OD1 no hydrogen 3.377 N/A LEU 134.A N SER 131.A O no hydrogen 2.801 N/A ASP 135.A N SER 131.A O no hydrogen 3.074 N/A GLY 136.A N PHE 132.A O no hydrogen 2.967 N/A GLY 137.A N SER 126.A O no hydrogen 2.695 N/A ARG 139.A N ASN 122.A OD1 no hydrogen 3.014 N/A ARG 139.A NH1 GLY 136.A O no hydrogen 2.913 N/A ARG 139.A NH1 ILE 138.A O no hydrogen 2.806 N/A ILE 140.A N PHE 42.A O no hydrogen 2.686 N/A SER 141.A N GLU 144.A OE1 no hydrogen 2.930 N/A SER 141.A OG THR 143.A OG1 no hydrogen 3.074 N/A THR 143.A N ALA 38.A O no hydrogen 3.208 N/A THR 143.A OG1 ALA 38.A O no hydrogen 3.417 N/A THR 143.A OG1 SER 141.A OG no hydrogen 3.074 N/A GLU 144.A N SER 141.A OG no hydrogen 3.168 N/A GLN 145.A N SER 141.A O no hydrogen 2.915 N/A GLN 145.A NE2 THR 47.A OG1 no hydrogen 3.029 N/A ILE 146.A N ALA 142.A O no hydrogen 3.058 N/A SER 147.A N THR 143.A O no hydrogen 3.110 N/A PHE 148.A N GLU 144.A O no hydrogen 3.001 N/A LEU 149.A N GLN 145.A O no hydrogen 2.800 N/A ARG 150.A N ILE 146.A O no hydrogen 2.792 N/A ARG 150.A NE GLU 25.A OE2 no hydrogen 2.821 N/A ARG 150.A NH1 GLU 25.A OE1 no hydrogen 3.037 N/A ARG 150.A NH1 GLU 25.A OE2 no hydrogen 3.472 N/A LYS 151.A N SER 147.A O no hydrogen 3.355 N/A LYS 151.A NZ SER 147.A O no hydrogen 3.561 N/A LEU 152.A N PHE 148.A O no hydrogen 3.117 N/A TYR 153.A N LEU 149.A O no hydrogen 2.772 N/A HIS 154.A N ARG 150.A O no hydrogen 3.159 N/A HIS 154.A NE2 GLU 25.A OE1 no hydrogen 2.759 N/A ASN 155.A N LEU 152.A O no hydrogen 3.085 N/A LYS 156.A N LYS 151.A O no hydrogen 2.866 N/A LEU 157.A N GLN 164.A OE1 no hydrogen 3.101 N/A VAL 159.A N LEU 157.A O no hydrogen 2.858 N/A SER 160.A N ASP 58.A OD2 no hydrogen 2.764 N/A SER 160.A OG ASP 58.A OD2 no hydrogen 3.243 N/A ARG 162.A NH1 LYS 63.A O no hydrogen 2.643 N/A SER 163.A N SER 160.A OG no hydrogen 3.215 N/A SER 163.A OG SER 160.A OG no hydrogen 2.749 N/A GLN 164.A N SER 160.A O no hydrogen 3.339 N/A GLN 164.A NE2 ASN 155.A O no hydrogen 3.584 N/A GLN 164.A NE2 LEU 157.A O no hydrogen 3.484 N/A GLN 164.A NE2 SER 160.A O no hydrogen 3.130 N/A ARG 165.A N GLU 161.A O no hydrogen 2.958 N/A ARG 165.A NE GLU 161.A OE2 no hydrogen 2.954 N/A ARG 165.A NH2 GLU 161.A OE2 no hydrogen 3.334 N/A ILE 166.A N ARG 162.A O no hydrogen 2.944 N/A VAL 167.A N SER 163.A O no hydrogen 3.106 N/A LYS 168.A N GLN 164.A O no hydrogen 3.022 N/A LYS 168.A NZ LEU 152.A O no hydrogen 2.958 N/A LYS 168.A NZ TYR 153.A O no hydrogen 3.034 N/A LYS 168.A NZ ASN 155.A OD1 no hydrogen 2.708 N/A GLN 169.A N ARG 165.A O no hydrogen 2.976 N/A ALA 170.A N ILE 166.A O no hydrogen 2.926 N/A MET 171.A N VAL 167.A O no hydrogen 2.870 N/A LEU 172.A N GLN 169.A O no hydrogen 3.164 N/A THR 173.A N ILE 181.A O no hydrogen 2.913 N/A THR 173.A OG1 MET 171.A O no hydrogen 3.005 N/A GLU 174.A N ILE 181.A O no hydrogen 3.316 N/A ASN 176.A N TYR 179.A O no hydrogen 3.043 N/A ASP 178.A N ASN 176.A OD1 no hydrogen 2.696 N/A TYR 179.A N ASN 176.A OD1 no hydrogen 3.120 N/A TYR 179.A OH GLU 174.A OE2 no hydrogen 2.597 N/A ILE 180.A N GLU 203.A O no hydrogen 3.133 N/A ILE 181.A N GLU 174.A O no hydrogen 2.762 N/A ARG 182.A N TRP 201.A O no hydrogen 3.218 N/A ARG 182.A NE GLU 203.A OE1 no hydrogen 2.741 N/A ARG 182.A NH1 LYS 168.A O no hydrogen 2.880 N/A ALA 183.A N MET 171.A O no hydrogen 2.885 N/A LYS 184.A N VAL 199.A O no hydrogen 2.813 N/A LYS 184.A NZ SER 94.A OG no hydrogen 2.852 N/A LYS 184.A NZ THR 185.A O no hydrogen 2.958 N/A LYS 184.A NZ THR 185.A OG1 no hydrogen 3.334 N/A GLY 186.A N TRP 197.A O no hydrogen 3.022 N/A TYR 187.A OH MET 217.A O no hydrogen 3.170 N/A SER 188.A N ILE 195.A O no hydrogen 2.829 N/A ARG 190.A NH1 ASP 135.A OD2 no hydrogen 3.124 N/A LYS 194.A N GLU 192.A OE2 no hydrogen 3.319 N/A ILE 195.A N SER 188.A O no hydrogen 3.303 N/A GLY 196.A N MET 215.A O no hydrogen 2.909 N/A TRP 197.A N GLY 186.A O no hydrogen 2.823 N/A TRP 197.A NE1 LEU 43.A O no hydrogen 2.731 N/A TRP 198.A N MET 213.A O no hydrogen 2.989 N/A VAL 199.A N LYS 184.A O no hydrogen 3.031 N/A GLY 200.A N PHE 211.A O no hydrogen 3.045 N/A TRP 201.A N ARG 182.A O no hydrogen 2.894 N/A TRP 201.A NE1 GLU 203.A OE1 no hydrogen 3.066 N/A VAL 202.A N TRP 209.A O no hydrogen 2.788 N/A GLU 203.A N ILE 180.A O no hydrogen 2.646 N/A LEU 204.A N ASN 207.A O no hydrogen 2.993 N/A ASN 207.A ND2 ASN 24.A OD1 no hydrogen 3.024 N/A TRP 209.A N VAL 202.A O no hydrogen 3.059 N/A PHE 210.A N TRP 23.A O no hydrogen 2.956 N/A PHE 211.A N GLY 200.A O no hydrogen 2.883 N/A ALA 212.A N VAL 21.A O no hydrogen 3.026 N/A MET 213.A N TRP 198.A O no hydrogen 2.920 N/A ASN 214.A N VAL 19.A O no hydrogen 3.060 N/A MET 215.A N GLY 196.A O no hydrogen 2.932 N/A ASP 216.A N GLN 17.A O no hydrogen 2.896 N/A MET 217.A N LYS 194.A O no hydrogen 3.012 N/A LEU 223.A N SER 220.A O no hydrogen 3.515 N/A LEU 225.A N GLY 222.A O no hydrogen 2.798 N/A ARG 226.A N LEU 223.A O no hydrogen 3.054 N/A ARG 226.A NE LEU 223.A O no hydrogen 2.966 N/A ARG 226.A NH2 GLY 186.A O no hydrogen 2.877 N/A GLN 227.A N GLN 227.A OE1 no hydrogen 2.797 N/A ALA 228.A N GLY 224.A O no hydrogen 3.150 N/A ILE 229.A N LEU 225.A O no hydrogen 2.958 N/A THR 230.A N ARG 226.A O no hydrogen 3.476 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.560 N/A LYS 231.A N GLN 227.A O no hydrogen 2.843 N/A LYS 231.A NZ GLU 174.A OE1 no hydrogen 2.831 N/A LYS 231.A NZ GLU 174.A OE2 no hydrogen 3.568 N/A GLU 232.A N ALA 228.A O no hydrogen 3.039 N/A VAL 233.A N ILE 229.A O no hydrogen 3.085 N/A LEU 234.A N THR 230.A O no hydrogen 2.930 N/A LYS 235.A N LYS 231.A O no hydrogen 2.776 N/A GLN 236.A N GLU 232.A O no hydrogen 3.015 N/A GLN 236.A NE2 SER 6.A OG no hydrogen 3.260 N/A GLU 237.A N VAL 233.A O no hydrogen 2.907 N/A LYS 238.A N LYS 235.A O no hydrogen 2.883 N/A ILE 239.A N LEU 234.A O no hydrogen 3.007 N/A ILE 240.A N LEU 234.A O no hydrogen 3.524 N/A