Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pcr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 TYR 5.A OH no hydrogen 3.380 N/A TYR 5.A N ASN 1.A O no hydrogen 3.064 N/A TYR 5.A OH TYR 56.A OH no hydrogen 2.995 N/A GLU 7.A N LYS 3.A O no hydrogen 3.453 N/A VAL 8.A N LYS 4.A O no hydrogen 3.310 N/A ALA 9.A N TYR 5.A O no hydrogen 3.014 N/A LYS 10.A N LEU 6.A O no hydrogen 3.007 N/A LYS 10.A NZ GLU 7.A OE1 no hydrogen 3.490 N/A ILE 11.A N GLU 7.A O no hydrogen 3.041 N/A ALA 12.A N VAL 8.A O no hydrogen 2.747 N/A ALA 13.A N ALA 9.A O no hydrogen 2.931 N/A LEU 14.A N LYS 10.A O no hydrogen 2.924 N/A ALA 15.A N ILE 11.A O no hydrogen 2.810 N/A GLY 16.A N ALA 12.A O no hydrogen 2.995 N/A GLY 17.A N ALA 13.A O no hydrogen 2.718 N/A GLN 18.A N LEU 14.A O no hydrogen 2.899 N/A VAL 19.A N GLY 16.A O no hydrogen 3.090 N/A LYS 21.A N GLY 17.A O no hydrogen 2.898 N/A LYS 21.A NZ GLN 18.A OE1 no hydrogen 3.501 N/A LYS 21.A NZ TYR 94.A OH no hydrogen 2.799 N/A GLU 22.A N GLN 18.A O no hydrogen 2.925 N/A ASN 23.A N VAL 19.A O no hydrogen 3.135 N/A ASN 23.A ND2 VAL 19.A O no hydrogen 3.017 N/A LYS 26.A NZ GLU 22.A O no hydrogen 3.557 N/A LYS 31.A N SER 27.A O no hydrogen 2.754 N/A THR 32.A N TYR 28.A O no hydrogen 2.755 N/A THR 32.A OG1 TYR 28.A O no hydrogen 2.397 N/A SER 33.A N VAL 29.A O no hydrogen 2.668 N/A SER 33.A OG GLY 16.A O no hydrogen 3.367 N/A SER 33.A OG PRO 62.A O no hydrogen 2.794 N/A GLU 34.A N ASP 30.A O no hydrogen 3.143 N/A GLU 35.A N LYS 31.A O no hydrogen 3.009 N/A ARG 36.A N THR 32.A O no hydrogen 3.005 N/A ILE 37.A N SER 33.A O no hydrogen 2.974 N/A LYS 38.A N GLU 34.A O no hydrogen 2.729 N/A GLU 39.A N GLU 35.A O no hydrogen 3.125 N/A VAL 40.A N ARG 36.A O no hydrogen 3.092 N/A ILE 41.A N ILE 37.A O no hydrogen 3.039 N/A LEU 42.A N LYS 38.A O no hydrogen 2.765 N/A LYS 43.A N GLU 39.A O no hydrogen 3.093 N/A PHE 44.A N VAL 40.A O no hydrogen 3.273 N/A PHE 44.A N ILE 41.A O no hydrogen 3.079 N/A PHE 45.A N ILE 41.A O no hydrogen 2.784 N/A HIS 48.A N PHE 45.A O no hydrogen 2.913 N/A GLU 49.A N TYR 56.A O no hydrogen 3.048 N/A VAL 51.A N TRP 58.A O no hydrogen 2.869 N/A SER 54.A OG ASP 47.A O no hydrogen 3.215 N/A ARG 57.A N VAL 83.A O no hydrogen 2.912 N/A ARG 57.A NH2 GLY 85.A O no hydrogen 3.102 N/A TRP 58.A N GLU 49.A O no hydrogen 2.806 N/A TRP 58.A NE1 HIS 48.A ND1 no hydrogen 2.861 N/A PHE 59.A N GLY 81.A O no hydrogen 2.726 N/A ILE 60.A N VAL 51.A O no hydrogen 3.303 N/A ASP 61.A N SER 79.A O no hydrogen 2.893 N/A LEU 63.A N ASP 61.A OD1 no hydrogen 3.265 N/A ASP 64.A N ALA 77.A O no hydrogen 2.802 N/A THR 66.A OG1 LEU 63.A O no hydrogen 3.315 N/A ASN 68.A ND2 ILE 75.A O no hydrogen 3.133 N/A ASN 68.A ND2 PRO 161.A O no hydrogen 2.913 N/A TYR 69.A N GLY 65.A O no hydrogen 2.782 N/A TYR 69.A OH LEU 20.A O no hydrogen 2.665 N/A ILE 70.A N THR 66.A O no hydrogen 2.936 N/A ASN 71.A N LYS 67.A O no hydrogen 3.155 N/A GLY 72.A N ASN 68.A O no hydrogen 2.978 N/A PHE 73.A N ASN 68.A O no hydrogen 2.847 N/A ALA 77.A N ASP 64.A O no hydrogen 2.939 N/A VAL 78.A N TYR 94.A O no hydrogen 2.856 N/A SER 79.A N ASP 61.A O no hydrogen 2.979 N/A VAL 80.A N ALA 92.A O no hydrogen 2.837 N/A GLY 81.A N PHE 59.A O no hydrogen 2.986 N/A LEU 82.A N VAL 90.A O no hydrogen 2.819 N/A VAL 83.A N ARG 57.A O no hydrogen 2.720 N/A LYS 84.A N GLU 87.A O no hydrogen 2.906 N/A LYS 84.A NZ GLU 55.A OE2 no hydrogen 3.288 N/A LYS 84.A NZ TYR 56.A OH no hydrogen 3.048 N/A GLY 85.A N GLU 55.A O no hydrogen 2.864 N/A GLU 87.A N LYS 84.A O no hydrogen 2.950 N/A ILE 89.A N LEU 82.A O no hydrogen 2.890 N/A VAL 90.A N LEU 82.A O no hydrogen 3.409 N/A GLY 91.A N GLY 104.A O no hydrogen 2.917 N/A ALA 92.A N VAL 80.A O no hydrogen 2.870 N/A VAL 93.A N TYR 102.A O no hydrogen 2.772 N/A TYR 94.A N VAL 78.A O no hydrogen 2.919 N/A TYR 94.A OH ASP 99.A OD1 no hydrogen 2.963 N/A LEU 95.A N LYS 100.A O no hydrogen 2.916 N/A LYS 100.A N LEU 95.A O no hydrogen 3.333 N/A LEU 101.A N ASN 113.A OD1 no hydrogen 2.662 N/A TYR 102.A N VAL 93.A O no hydrogen 2.907 N/A TYR 102.A OH GLU 172.A OE1 no hydrogen 2.763 N/A TRP 103.A N TYR 111.A O no hydrogen 2.907 N/A GLY 104.A N GLY 91.A O no hydrogen 2.958 N/A LYS 106.A N ILE 89.A O no hydrogen 2.839 N/A LYS 106.A NZ GLU 87.A OE1 no hydrogen 3.543 N/A LYS 106.A NZ GLU 87.A OE2 no hydrogen 2.823 N/A GLY 107.A N GLU 194.A OE2 no hydrogen 3.141 N/A LEU 108.A N ALA 105.A O no hydrogen 2.745 N/A GLY 109.A N GLU 194.A OE1 no hydrogen 2.870 N/A TYR 111.A N TRP 103.A O no hydrogen 2.722 N/A TYR 111.A OH LEU 108.A O no hydrogen 2.919 N/A VAL 112.A N LYS 115.A O no hydrogen 2.889 N/A ASN 113.A N LEU 101.A O no hydrogen 2.888 N/A ASN 113.A ND2 ASP 99.A O no hydrogen 2.990 N/A LYS 115.A N VAL 112.A O no hydrogen 3.335 N/A ILE 117.A N ALA 110.A O no hydrogen 2.829 N/A VAL 119.A N ALA 195.A O no hydrogen 2.877 N/A LYS 120.A NZ ILE 174.A O no hydrogen 3.370 N/A ASN 122.A ND2 SER 124.A O no hydrogen 2.743 N/A ASN 122.A ND2 ASP 176.A OD1 no hydrogen 3.417 N/A HIS 127.A N SER 124.A O no hydrogen 3.081 N/A ALA 128.A N LEU 125.A O no hydrogen 3.170 N/A GLY 129.A N ASP 176.A OD2 no hydrogen 2.722 N/A VAL 130.A N SER 158.A O no hydrogen 2.836 N/A VAL 131.A N GLY 177.A O no hydrogen 2.980 N/A TYR 132.A N ARG 159.A O no hydrogen 2.911 N/A SER 138.A OG ARG 140.A O no hydrogen 2.811 N/A ARG 139.A N GLU 180.A OE1 no hydrogen 2.817 N/A ARG 140.A N GLU 180.A OE2 no hydrogen 3.085 N/A ARG 140.A NH1 TYR 145.A OH no hydrogen 3.109 N/A ARG 140.A NH1 ASP 210.A OD2 no hydrogen 2.875 N/A ARG 140.A NH2 ASP 210.A OD1 no hydrogen 2.818 N/A SER 143.A N ASP 141.A OD2 no hydrogen 3.005 N/A SER 143.A OG ASP 141.A OD2 no hydrogen 2.550 N/A ILE 144.A N ASP 141.A O no hydrogen 2.812 N/A TYR 145.A OH GLU 180.A OE2 no hydrogen 2.673 N/A LEU 146.A N ILE 142.A O no hydrogen 2.957 N/A ASN 147.A N SER 143.A O no hydrogen 3.029 N/A ILE 148.A N ILE 144.A O no hydrogen 3.074 N/A PHE 149.A N TYR 145.A O no hydrogen 2.761 N/A LYS 150.A N LEU 146.A O no hydrogen 2.973 N/A ASP 151.A N ASN 147.A O no hydrogen 3.172 N/A VAL 152.A N ILE 148.A O no hydrogen 3.193 N/A PHE 153.A N PHE 149.A O no hydrogen 2.657 N/A TYR 154.A N LYS 150.A O no hydrogen 2.825 N/A GLU 155.A N VAL 152.A O no hydrogen 3.268 N/A VAL 156.A N VAL 152.A O no hydrogen 3.217 N/A SER 158.A N ALA 128.A O no hydrogen 3.213 N/A ALA 165.A N ASP 64.A OD2 no hydrogen 3.018 N/A VAL 166.A N ALA 163.A O no hydrogen 2.612 N/A ASP 167.A N ALA 163.A O no hydrogen 2.805 N/A LEU 168.A N ALA 164.A O no hydrogen 2.792 N/A CYS 169.A N ALA 165.A O no hydrogen 3.377 N/A CYS 169.A SG ALA 165.A O no hydrogen 3.450 N/A ALA 171.A N LEU 168.A O no hydrogen 3.019 N/A GLU 172.A N CYS 169.A O no hydrogen 2.959 N/A GLY 173.A N VAL 170.A O no hydrogen 3.038 N/A ASP 176.A N GLY 129.A O no hydrogen 2.954 N/A PHE 179.A N GLY 133.A O no hydrogen 2.929 N/A GLU 180.A N ASP 210.A OD2 no hydrogen 3.129 N/A ASP 184.A N LYS 181.A O no hydrogen 3.057 N/A ILE 185.A N PRO 182.A O no hydrogen 3.385 N/A THR 186.A N PRO 182.A O no hydrogen 3.003 N/A THR 186.A OG1 PRO 182.A O no hydrogen 2.534 N/A LEU 189.A N ILE 185.A O no hydrogen 2.889 N/A VAL 190.A N THR 186.A O no hydrogen 3.314 N/A ILE 191.A N ALA 187.A O no hydrogen 3.334 N/A LEU 192.A N GLY 188.A O no hydrogen 2.895 N/A LYS 193.A N LEU 189.A O no hydrogen 2.929 N/A GLU 194.A N VAL 190.A O no hydrogen 3.154 N/A ALA 195.A N LEU 192.A O no hydrogen 3.149 N/A GLY 196.A N LYS 193.A O no hydrogen 2.990 N/A GLY 197.A N LEU 192.A O no hydrogen 2.885 N/A VAL 198.A N GLY 214.A O no hydrogen 3.008 N/A THR 200.A N ILE 212.A O no hydrogen 2.837 N/A THR 200.A OG1 HIS 219.A NE2 no hydrogen 2.800 N/A VAL 202.A N ASP 210.A O no hydrogen 2.909 N/A ASP 210.A N VAL 202.A O no hydrogen 2.901 N/A ILE 211.A N GLU 178.A O no hydrogen 2.842 N/A ILE 212.A N THR 200.A O no hydrogen 3.116 N/A GLY 214.A N VAL 198.A O no hydrogen 3.032 N/A ASN 215.A N ASP 176.A O no hydrogen 2.847 N/A ASN 215.A ND2 LYS 120.A O no hydrogen 3.284 N/A ASN 215.A ND2 ASP 176.A OD1 no hydrogen 2.961 N/A LYS 216.A NZ ASP 220.A OD2 no hydrogen 3.237 N/A LEU 218.A N ASN 215.A OD1 no hydrogen 2.942 N/A HIS 219.A N ASN 215.A O no hydrogen 3.056 N/A HIS 219.A NE2 THR 200.A OG1 no hydrogen 2.800 N/A ASP 220.A N LYS 216.A O no hydrogen 2.983 N/A PHE 221.A N ALA 217.A O no hydrogen 3.044 N/A ILE 222.A N LEU 218.A O no hydrogen 2.618 N/A LEU 223.A N HIS 219.A O no hydrogen 2.996 N/A GLN 224.A N ASP 220.A O no hydrogen 2.982 N/A VAL 225.A N PHE 221.A O no hydrogen 3.026 N/A ALA 226.A N ILE 222.A O no hydrogen 2.985 N/A LYS 227.A N LEU 223.A O no hydrogen 3.133 N/A LYS 228.A N VAL 225.A O no hydrogen 2.995 N/A TYR 229.A N ALA 226.A O no hydrogen 3.061 N/A TYR 229.A OH ASP 151.A OD1 no hydrogen 2.892 N/A TYR 229.A OH ASP 151.A OD2 no hydrogen 2.761 N/A