Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ALA 89.A O no hydrogen 2.783 N/A ARG 1.A NH2 ALA 89.A O no hydrogen 2.904 N/A LYS 3.A N PRO 92.A O no hydrogen 2.994 N/A LYS 3.A NZ LEU 230.A OXT no hydrogen 3.116 N/A LYS 4.A N ASP 143.A OD2 no hydrogen 3.035 N/A LYS 4.A NZ SER 139.A O no hydrogen 2.971 N/A LYS 4.A NZ GLU 141.A O no hydrogen 2.628 N/A ILE 5.A N LEU 94.A O no hydrogen 2.890 N/A SER 6.A N GLY 144.A O no hydrogen 2.846 N/A SER 6.A OG GLU 8.A OE1 no hydrogen 2.485 N/A ILE 7.A N PHE 96.A O no hydrogen 2.820 N/A GLU 8.A N ILE 146.A O no hydrogen 2.841 N/A ASN 10.A ND2 LEU 175.A O no hydrogen 2.842 N/A ILE 11.A N ASN 10.A OD1 no hydrogen 2.745 N/A ALA 13.A N ASN 10.A O no hydrogen 3.175 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.210 N/A LYS 15.A NZ ASN 10.A O no hydrogen 2.915 N/A PHE 18.A N GLY 14.A O no hydrogen 2.750 N/A VAL 19.A N LYS 15.A O no hydrogen 2.827 N/A ASN 20.A N SER 16.A O no hydrogen 3.051 N/A ILE 21.A N THR 17.A O no hydrogen 3.087 N/A LEU 22.A N PHE 18.A O no hydrogen 2.930 N/A LYS 23.A N VAL 19.A O no hydrogen 3.180 N/A LYS 23.A NZ ASN 20.A OD1 no hydrogen 3.381 N/A GLN 24.A N ILE 21.A O no hydrogen 3.075 N/A LEU 25.A N LEU 22.A O no hydrogen 2.925 N/A ASP 28.A N SER 26.A OG no hydrogen 2.972 N/A TRP 29.A N SER 26.A O no hydrogen 2.952 N/A GLU 30.A N VAL 93.A O no hydrogen 2.709 N/A VAL 31.A N GLU 30.A OE2 no hydrogen 2.781 N/A VAL 32.A N PHE 95.A O no hydrogen 2.943 N/A GLU 34.A N GLU 97.A OE2 no hydrogen 2.782 N/A ARG 38.A N GLU 34.A O no hydrogen 3.434 N/A ARG 38.A NH1 GLU 44.A OE2 no hydrogen 2.839 N/A TRP 39.A N PRO 35.A O no hydrogen 3.093 N/A TRP 39.A NE1 GLU 44.A OE2 no hydrogen 2.819 N/A SER 40.A N VAL 36.A O no hydrogen 3.392 N/A SER 40.A OG ALA 37.A O no hydrogen 3.305 N/A SER 40.A OG SER 40.A O no hydrogen 2.371 N/A GLN 45.A N THR 42.A OG1 no hydrogen 2.717 N/A LYS 46.A N THR 42.A O no hydrogen 3.109 N/A ASN 47.A N MET 43.A O no hydrogen 2.629 N/A ASN 47.A ND2 TYR 69.A OH no hydrogen 2.996 N/A GLY 48.A N GLU 44.A O no hydrogen 2.570 N/A GLY 49.A N GLN 45.A O no hydrogen 2.648 N/A ASN 50.A N LYS 46.A O no hydrogen 3.128 N/A ASN 50.A ND2 LYS 46.A O no hydrogen 2.848 N/A VAL 51.A N ASN 47.A O no hydrogen 2.996 N/A LEU 52.A N GLY 48.A O no hydrogen 2.931 N/A GLN 53.A N GLY 49.A O no hydrogen 3.059 N/A MET 54.A N ASN 50.A O no hydrogen 2.823 N/A MET 55.A N VAL 51.A O no hydrogen 2.790 N/A TYR 56.A N LEU 52.A O no hydrogen 3.001 N/A GLU 57.A N GLN 53.A O no hydrogen 3.201 N/A GLU 57.A N MET 54.A O no hydrogen 3.071 N/A LYS 58.A N MET 54.A O no hydrogen 3.000 N/A LYS 58.A NZ GLU 60.A OE2 no hydrogen 3.522 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.780 N/A ARG 61.A N LYS 58.A O no hydrogen 2.925 N/A ARG 61.A NH1 ARG 61.A O no hydrogen 2.946 N/A TRP 62.A N LYS 58.A O no hydrogen 3.068 N/A SER 63.A N PRO 59.A O no hydrogen 3.004 N/A SER 63.A OG PRO 59.A O no hydrogen 2.692 N/A PHE 66.A N TRP 62.A O no hydrogen 2.825 N/A GLN 67.A N SER 63.A O no hydrogen 2.940 N/A THR 68.A N PHE 64.A O no hydrogen 2.976 N/A THR 68.A OG1 THR 65.A O no hydrogen 2.804 N/A TYR 69.A N THR 65.A O no hydrogen 3.011 N/A ALA 70.A N PHE 66.A O no hydrogen 2.881 N/A CYS 71.A N GLN 67.A O no hydrogen 3.063 N/A CYS 71.A SG ASP 103.A OD2 no hydrogen 3.854 N/A LEU 72.A N THR 68.A O no hydrogen 3.128 N/A SER 73.A N TYR 69.A O no hydrogen 3.020 N/A SER 73.A OG TYR 69.A O no hydrogen 2.898 N/A ARG 74.A N ALA 70.A O no hydrogen 3.071 N/A ARG 74.A NE ASP 103.A OD2 no hydrogen 2.497 N/A ARG 74.A NH1 GLU 34.A OE1 no hydrogen 2.566 N/A ARG 74.A NH1 ASP 103.A OD1 no hydrogen 2.558 N/A ARG 74.A NH1 ASP 103.A OD2 no hydrogen 3.255 N/A ARG 74.A NH2 GLU 97.A O no hydrogen 2.925 N/A ILE 75.A N CYS 71.A O no hydrogen 2.887 N/A ARG 76.A N LEU 72.A O no hydrogen 2.898 N/A ALA 77.A N SER 73.A O no hydrogen 2.721 N/A GLN 78.A N ARG 74.A O no hydrogen 2.810 N/A GLN 78.A NE2 ARG 98.A O no hydrogen 3.413 N/A LEU 79.A N ILE 75.A O no hydrogen 3.003 N/A ALA 80.A N ARG 76.A O no hydrogen 2.970 N/A SER 81.A N ALA 77.A O no hydrogen 3.038 N/A LEU 82.A N GLN 78.A O no hydrogen 2.877 N/A ASN 83.A N LEU 79.A O no hydrogen 2.905 N/A ASN 83.A ND2 LEU 79.A O no hydrogen 3.218 N/A LYS 85.A N SER 81.A O no hydrogen 3.313 N/A ALA 89.A N LEU 86.A O no hydrogen 3.305 N/A LYS 91.A N ASP 28.A OD2 no hydrogen 2.530 N/A VAL 93.A N ASP 28.A O no hydrogen 2.547 N/A LEU 94.A N LYS 3.A O no hydrogen 2.838 N/A PHE 95.A N GLU 30.A O no hydrogen 2.768 N/A PHE 96.A N ILE 5.A O no hydrogen 2.772 N/A GLU 97.A N VAL 32.A O no hydrogen 2.955 N/A ARG 98.A N ILE 7.A O no hydrogen 2.865 N/A ARG 98.A NE GLY 9.A O no hydrogen 3.352 N/A ARG 98.A NH1 GLU 34.A OE2 no hydrogen 2.911 N/A ARG 98.A NH2 GLY 9.A O no hydrogen 3.328 N/A SER 99.A N SER 102.A OG no hydrogen 2.785 N/A SER 99.A OG GLU 8.A OE1 no hydrogen 2.400 N/A SER 99.A OG SER 102.A OG no hydrogen 2.942 N/A TYR 101.A OH TYR 197.A OH no hydrogen 2.716 N/A SER 102.A N SER 99.A OG no hydrogen 3.258 N/A SER 102.A OG GLU 8.A OE1 no hydrogen 3.042 N/A SER 102.A OG GLU 8.A OE2 no hydrogen 2.600 N/A SER 102.A OG SER 99.A O no hydrogen 2.947 N/A SER 102.A OG SER 99.A OG no hydrogen 2.942 N/A ASP 103.A N SER 99.A O no hydrogen 3.057 N/A ARG 104.A N VAL 100.A O no hydrogen 3.330 N/A ARG 104.A NH1 HIS 129.A ND1 no hydrogen 3.156 N/A ARG 104.A NH1 ASP 130.A OD1 no hydrogen 2.882 N/A ARG 104.A NH2 ASP 130.A OD1 no hydrogen 3.481 N/A TYR 105.A N TYR 101.A O no hydrogen 2.961 N/A ILE 106.A N SER 102.A O no hydrogen 3.005 N/A PHE 107.A N SER 102.A O no hydrogen 3.144 N/A ALA 108.A N ASP 103.A O no hydrogen 2.914 N/A SER 109.A N ARG 104.A O no hydrogen 2.912 N/A ASN 110.A N ILE 106.A O no hydrogen 2.967 N/A LEU 111.A N PHE 107.A O no hydrogen 3.033 N/A TYR 112.A N ALA 108.A O no hydrogen 2.893 N/A GLU 113.A N SER 109.A O no hydrogen 2.839 N/A SER 114.A N ASN 110.A O no hydrogen 2.903 N/A GLU 115.A N TYR 112.A O no hydrogen 2.779 N/A SER 116.A N LEU 111.A O no hydrogen 3.003 N/A MET 117.A N LEU 111.A O no hydrogen 3.162 N/A ASN 118.A N GLU 121.A OE1 no hydrogen 2.886 N/A GLU 121.A N ASN 118.A OD1 no hydrogen 2.937 N/A TRP 122.A N ASN 118.A O no hydrogen 3.070 N/A THR 123.A N GLU 119.A O no hydrogen 3.011 N/A THR 123.A OG1 GLU 119.A O no hydrogen 2.691 N/A THR 123.A OG1 THR 120.A O no hydrogen 3.561 N/A ILE 124.A N THR 120.A O no hydrogen 2.758 N/A TYR 125.A N GLU 121.A O no hydrogen 2.630 N/A GLN 126.A N TRP 122.A O no hydrogen 2.819 N/A GLN 126.A NE2 TRP 122.A O no hydrogen 3.263 N/A ASP 127.A N THR 123.A O no hydrogen 3.090 N/A TRP 128.A N ILE 124.A O no hydrogen 2.859 N/A HIS 129.A N TYR 125.A O no hydrogen 2.685 N/A HIS 129.A NE2 VAL 100.A O no hydrogen 2.845 N/A ASP 130.A N GLN 126.A O no hydrogen 2.821 N/A MET 132.A N TRP 128.A O no hydrogen 2.854 N/A ASN 133.A N HIS 129.A O no hydrogen 3.322 N/A ASN 133.A ND2 HIS 129.A O no hydrogen 3.036 N/A ASN 134.A N TRP 131.A O no hydrogen 3.258 N/A GLN 135.A N TRP 131.A O no hydrogen 2.968 N/A PHE 136.A N MET 132.A O no hydrogen 3.438 N/A LEU 140.A N GLY 137.A O no hydrogen 3.012 N/A LEU 142.A N TYR 197.A OH no hydrogen 3.096 N/A ASP 143.A N LYS 4.A O no hydrogen 2.872 N/A GLY 144.A N LYS 4.A O no hydrogen 3.187 N/A ILE 145.A N PRO 202.A O no hydrogen 3.285 N/A ILE 146.A N SER 6.A O no hydrogen 2.776 N/A TYR 147.A N LEU 204.A O no hydrogen 2.637 N/A TYR 147.A OH GLU 183.A OE2 no hydrogen 2.926 N/A LEU 148.A N GLU 8.A O no hydrogen 2.797 N/A GLN 149.A N LEU 206.A O no hydrogen 3.082 N/A GLN 149.A NE2 GLU 183.A OE2 no hydrogen 3.204 N/A THR 151.A N ASN 209.A OD1 no hydrogen 2.948 N/A THR 151.A OG1 GLU 153.A OE2 no hydrogen 3.139 N/A THR 151.A OG1 THR 154.A OG1 no hydrogen 2.305 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 2.749 N/A THR 154.A N THR 151.A OG1 no hydrogen 2.932 N/A THR 154.A OG1 THR 151.A OG1 no hydrogen 2.305 N/A THR 154.A OG1 ASN 209.A OD1 no hydrogen 3.538 N/A CYS 155.A N THR 151.A O no hydrogen 3.194 N/A CYS 155.A SG ILE 11.A O no hydrogen 3.054 N/A CYS 155.A SG THR 151.A O no hydrogen 3.375 N/A LEU 156.A N PRO 152.A O no hydrogen 3.164 N/A HIS 157.A N GLU 153.A O no hydrogen 2.929 N/A ARG 158.A N THR 154.A O no hydrogen 2.751 N/A ARG 158.A NH1 ALA 13.A O no hydrogen 2.741 N/A ARG 158.A NH1 VAL 208.A O no hydrogen 2.621 N/A ARG 158.A NH2 VAL 208.A O no hydrogen 2.765 N/A ILE 159.A N CYS 155.A O no hydrogen 2.411 N/A TYR 160.A N LEU 156.A O no hydrogen 2.801 N/A LEU 161.A N HIS 157.A O no hydrogen 2.796 N/A ARG 162.A N ARG 158.A O no hydrogen 3.148 N/A GLY 163.A N ILE 159.A O no hydrogen 3.173 N/A GLU 167.A N ARG 164.A O no hydrogen 2.949 N/A GLN 168.A N ARG 164.A O no hydrogen 3.357 N/A ILE 170.A N GLU 167.A O no hydrogen 2.549 N/A TYR 174.A N PRO 171.A O no hydrogen 3.248 N/A LEU 175.A N PRO 171.A O no hydrogen 3.468 N/A GLU 176.A N LEU 172.A O no hydrogen 2.714 N/A LYS 177.A N GLU 173.A O no hydrogen 2.984 N/A LEU 178.A N TYR 174.A O no hydrogen 2.706 N/A HIS 179.A N LEU 175.A O no hydrogen 2.547 N/A TYR 180.A N GLU 176.A O no hydrogen 2.838 N/A TYR 180.A N LYS 177.A O no hydrogen 2.985 N/A LYS 181.A N LYS 177.A O no hydrogen 3.242 N/A LYS 181.A N LEU 178.A O no hydrogen 3.213 N/A LYS 181.A NZ SER 109.A OG no hydrogen 3.248 N/A LYS 181.A NZ GLU 113.A OE2 no hydrogen 3.429 N/A HIS 182.A N LEU 178.A O no hydrogen 3.511 N/A HIS 182.A ND1 LEU 178.A O no hydrogen 3.134 N/A SER 184.A OG TYR 180.A O no hydrogen 2.891 N/A SER 184.A OG LYS 181.A O no hydrogen 3.081 N/A TRP 185.A N LYS 181.A O no hydrogen 3.287 N/A TRP 185.A N HIS 182.A O no hydrogen 2.864 N/A LEU 186.A N HIS 182.A O no hydrogen 2.815 N/A LEU 187.A N GLU 183.A O no hydrogen 3.063 N/A ARG 189.A NH1 VAL 201.A O no hydrogen 3.500 N/A ARG 189.A NH2 LEU 198.A O no hydrogen 2.841 N/A ARG 189.A NH2 VAL 201.A O no hydrogen 3.127 N/A THR 190.A N SER 184.A O no hydrogen 2.920 N/A THR 190.A OG1 SER 184.A O no hydrogen 3.391 N/A ASN 194.A N TYR 105.A OH no hydrogen 3.017 N/A PHE 195.A N THR 193.A OG1 no hydrogen 3.009 N/A TYR 197.A OH TYR 101.A OH no hydrogen 2.716 N/A LEU 198.A N PHE 195.A O no hydrogen 3.107 N/A GLN 199.A N ASP 196.A O no hydrogen 2.619 N/A GLU 200.A N TYR 197.A O no hydrogen 3.074 N/A VAL 201.A N TYR 197.A O no hydrogen 3.286 N/A LEU 204.A N ILE 145.A O no hydrogen 2.866 N/A LEU 206.A N TYR 147.A O no hydrogen 2.624 N/A VAL 208.A N GLN 149.A O no hydrogen 3.247 N/A ASN 209.A ND2 ASP 207.A OD1 no hydrogen 2.407 N/A LYS 215.A N PHE 212.A O no hydrogen 3.219 N/A VAL 220.A N TYR 216.A O no hydrogen 2.658 N/A GLU 221.A N GLU 217.A O no hydrogen 2.636 N/A LYS 222.A N SER 218.A O no hydrogen 2.977 N/A VAL 223.A N LEU 219.A O no hydrogen 3.329 N/A LYS 224.A N VAL 220.A O no hydrogen 2.975 N/A GLU 225.A N GLU 221.A O no hydrogen 3.323 N/A PHE 226.A N LYS 222.A O no hydrogen 3.087 N/A LEU 227.A N VAL 223.A O no hydrogen 2.898 N/A SER 228.A OG GLU 225.A O no hydrogen 3.293 N/A THR 229.A N PHE 226.A O no hydrogen 2.909 N/A THR 229.A OG1 PHE 226.A O no hydrogen 2.990 N/A LEU 230.A N PHE 226.A O no hydrogen 3.212 N/A