Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4py3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N MET 2.A O no hydrogen 3.231 N/A ASN 5.A ND2 VAL 85.A O no hydrogen 2.875 N/A TYR 6.A N ALA 3.A O no hydrogen 3.192 N/A ALA 7.A N ARG 4.A O no hydrogen 3.067 N/A TYR 8.A N THR 13.A O no hydrogen 3.083 N/A THR 13.A OG1 MET 21.A O no hydrogen 2.618 N/A THR 13.A OG1 THR 23.A OG1 no hydrogen 3.037 N/A LYS 15.A N TYR 6.A O no hydrogen 2.889 N/A LYS 15.A NZ ASN 5.A O no hydrogen 2.984 N/A LYS 15.A NZ ASP 82.A OD2 no hydrogen 2.738 N/A ASN 16.A N TYR 8.A OH no hydrogen 3.248 N/A ASN 16.A ND2 LEU 14.A O no hydrogen 2.984 N/A ASN 16.A ND2 ILE 20.A O no hydrogen 2.854 N/A LYS 17.A N THR 66.A O no hydrogen 2.811 N/A LYS 17.A NZ GLU 64.A O no hydrogen 2.699 N/A HIS 18.A NE2 THR 66.A OG1 no hydrogen 2.958 N/A ASN 19.A N ASN 16.A O no hydrogen 3.097 N/A ILE 20.A N ASN 16.A OD1 no hydrogen 2.988 N/A THR 23.A OG1 THR 13.A OG1 no hydrogen 3.037 N/A LYS 25.A N SER 22.A OG no hydrogen 3.251 N/A LEU 26.A N SER 22.A O no hydrogen 2.920 N/A ALA 27.A N THR 23.A O no hydrogen 3.023 N/A HIS 28.A N LYS 24.A O no hydrogen 3.311 N/A VAL 29.A N LYS 25.A O no hydrogen 3.024 N/A CYS 30.A N LEU 26.A O no hydrogen 2.851 N/A GLU 31.A N ALA 27.A O no hydrogen 2.936 N/A HIS 32.A N HIS 28.A O no hydrogen 3.015 N/A TYR 33.A N VAL 29.A O no hydrogen 3.129 N/A ALA 34.A N CYS 30.A O no hydrogen 3.048 N/A LYS 35.A N GLU 31.A O no hydrogen 3.097 N/A LYS 36.A N HIS 32.A O no hydrogen 3.214 N/A ALA 37.A N TYR 33.A O no hydrogen 2.911 N/A ILE 38.A N ALA 34.A O no hydrogen 2.984 N/A ILE 39.A N LYS 35.A O no hydrogen 3.360 N/A ILE 39.A N LYS 36.A O no hydrogen 3.260 N/A LEU 41.A N ALA 37.A O no hydrogen 2.842 N/A ASN 42.A N ILE 38.A O no hydrogen 2.774 N/A LYS 43.A N ASN 40.A O no hydrogen 3.050 N/A LYS 43.A NZ ASN 40.A OD1 no hydrogen 3.509 N/A GLU 44.A N LEU 41.A O no hydrogen 2.980 N/A PHE 50.A N ASN 122.A OD1 no hydrogen 3.472 N/A SER 52.A N ASP 114.A OD1 no hydrogen 2.767 N/A SER 52.A N ASP 114.A OD2 no hydrogen 3.517 N/A SER 52.A OG ASP 114.A OD1 no hydrogen 3.432 N/A SER 52.A OG ASP 114.A OD2 no hydrogen 2.667 N/A TYR 54.A N ASP 51.A OD1 no hydrogen 3.019 N/A LEU 55.A N ASP 51.A O no hydrogen 3.062 N/A LYS 56.A N SER 52.A O no hydrogen 2.805 N/A TYR 57.A N SER 53.A O no hydrogen 2.957 N/A TYR 57.A OH GLU 44.A OE1 no hydrogen 2.966 N/A TYR 57.A OH GLU 44.A OE2 no hydrogen 2.674 N/A ILE 58.A N TYR 54.A O no hydrogen 2.944 N/A HIS 59.A N LEU 55.A O no hydrogen 3.067 N/A HIS 59.A NE2 ALA 150.A O no hydrogen 2.783 N/A GLN 60.A N LYS 56.A O no hydrogen 2.758 N/A ARG 61.A N TYR 57.A O no hydrogen 2.886 N/A ARG 61.A NE TYR 57.A OH no hydrogen 3.046 N/A ARG 61.A NH1 GLU 64.A OE2 no hydrogen 2.833 N/A LEU 62.A N ILE 58.A O no hydrogen 2.858 N/A PHE 63.A N HIS 59.A O no hydrogen 2.983 N/A GLU 64.A N GLN 60.A O no hydrogen 2.851 N/A THR 66.A N PHE 63.A O no hydrogen 2.957 N/A THR 66.A OG1 HIS 18.A NE2 no hydrogen 2.958 N/A PHE 67.A N PHE 63.A O no hydrogen 2.768 N/A ALA 70.A N PHE 67.A O no hydrogen 3.088 N/A GLY 71.A N HIS 59.A ND1 no hydrogen 3.104 N/A TYR 72.A N TRP 69.A O no hydrogen 2.824 N/A THR 73.A OG1 ASP 75.A OD1 no hydrogen 2.425 N/A ARG 74.A N PRO 147.A O no hydrogen 2.805 N/A ARG 74.A NE ALA 146.A O no hydrogen 2.772 N/A ARG 74.A NH1 MET 88.A O no hydrogen 2.990 N/A ARG 74.A NH1 PRO 89.A O no hydrogen 3.106 N/A ARG 74.A NH1 VAL 101.A O no hydrogen 3.438 N/A ARG 74.A NH2 VAL 101.A O no hydrogen 2.702 N/A ARG 74.A NH2 ILE 145.A O no hydrogen 2.990 N/A ARG 74.A NH2 ALA 146.A O no hydrogen 3.321 N/A PHE 76.A N THR 73.A O no hydrogen 2.931 N/A SER 77.A OG GLU 87.A OE1 no hydrogen 3.048 N/A PHE 78.A N ALA 86.A O no hydrogen 2.950 N/A PHE 80.A N THR 84.A O no hydrogen 2.868 N/A ASP 81.A N GLU 68.A OE1 no hydrogen 2.774 N/A GLY 83.A N PHE 80.A O no hydrogen 3.042 N/A THR 84.A N ASP 82.A OD1 no hydrogen 2.797 N/A THR 84.A OG1 ASP 82.A OD1 no hydrogen 2.748 N/A ALA 86.A N PHE 78.A O no hydrogen 2.774 N/A MET 88.A N ARG 74.A O no hydrogen 2.906 N/A LYS 92.A NZ ASP 97.A OD1 no hydrogen 2.967 N/A VAL 93.A N ILE 98.A O no hydrogen 2.841 N/A LEU 96.A N VAL 93.A O no hydrogen 3.238 N/A TYR 100.A N MET 91.A O no hydrogen 2.996 N/A VAL 101.A N SER 144.A O no hydrogen 2.998 N/A GLY 103.A N PRO 89.A O no hydrogen 2.721 N/A ASP 105.A N GLN 102.A O no hydrogen 2.908 N/A ILE 106.A N GLY 103.A O no hydrogen 3.211 N/A ASN 109.A N ASP 105.A O no hydrogen 3.113 N/A ASN 109.A ND2 ASP 105.A O no hydrogen 2.851 N/A LEU 110.A N ILE 106.A O no hydrogen 2.865 N/A LYS 111.A N GLN 107.A O no hydrogen 2.878 N/A LYS 112.A N GLU 108.A O no hydrogen 2.908 N/A PHE 113.A N ASN 109.A O no hydrogen 2.828 N/A ASP 114.A N LEU 110.A O no hydrogen 2.841 N/A GLN 115.A N LYS 111.A O no hydrogen 2.902 N/A LEU 116.A N LYS 112.A O no hydrogen 2.973 N/A LEU 117.A N PHE 113.A O no hydrogen 3.261 N/A ALA 118.A N ASP 114.A O no hydrogen 3.029 N/A SER 119.A N GLN 115.A O no hydrogen 2.823 N/A SER 119.A OG GLN 115.A O no hydrogen 2.789 N/A LYS 120.A N LEU 116.A O no hydrogen 2.971 N/A ASN 121.A N ALA 118.A O no hydrogen 3.070 N/A ASN 122.A N LEU 117.A O no hydrogen 2.755 N/A ASN 122.A ND2 GLN 48.A O no hydrogen 3.064 N/A LEU 123.A N LYS 120.A O no hydrogen 2.979 N/A GLN 124.A N ASN 121.A O no hydrogen 2.992 N/A GLN 124.A NE2 ASN 121.A O no hydrogen 3.059 N/A ARG 128.A NE SER 208.A O no hydrogen 3.210 N/A ARG 128.A NH2 GLU 205.A O no hydrogen 3.356 N/A PHE 131.A N SER 127.A O no hydrogen 2.826 N/A VAL 132.A N ARG 128.A O no hydrogen 2.919 N/A ASP 133.A N GLU 129.A O no hydrogen 3.044 N/A GLU 134.A N GLU 130.A O no hydrogen 3.000 N/A ALA 135.A N PHE 131.A O no hydrogen 2.706 N/A ALA 136.A N VAL 132.A O no hydrogen 2.992 N/A LYS 137.A N ASP 133.A O no hydrogen 3.413 N/A LYS 137.A NZ ASP 133.A OD2 no hydrogen 2.981 N/A LEU 138.A N GLU 134.A O no hydrogen 3.220 N/A PHE 139.A N ALA 135.A O no hydrogen 2.868 N/A VAL 140.A N ALA 136.A O no hydrogen 3.074 N/A PHE 141.A N LYS 137.A O no hydrogen 3.123 N/A LEU 142.A N LEU 138.A O no hydrogen 2.969 N/A ASN 143.A N PHE 139.A O no hydrogen 2.859 N/A SER 144.A N VAL 140.A O no hydrogen 3.149 N/A SER 144.A N PHE 141.A O no hydrogen 3.101 N/A SER 144.A OG PHE 141.A O no hydrogen 2.589 N/A ILE 145.A N LEU 142.A O no hydrogen 3.009 N/A ALA 146.A N LEU 142.A O no hydrogen 3.299 N/A PHE 148.A N ASN 152.A OD1 no hydrogen 2.885 N/A ARG 149.A NH1 ARG 149.A O no hydrogen 2.772 N/A ASN 152.A ND2 PHE 148.A O no hydrogen 2.848 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.654 N/A THR 155.A N GLY 151.A O no hydrogen 3.405 N/A THR 155.A OG1 GLY 151.A O no hydrogen 2.691 N/A GLN 156.A N ASN 152.A O no hydrogen 2.926 N/A GLN 156.A NE2 ASN 143.A OD1 no hydrogen 3.063 N/A ARG 157.A N GLU 153.A O no hydrogen 3.017 N/A ARG 157.A NH1 GLU 178.A OE1 no hydrogen 3.148 N/A ARG 157.A NH1 GLU 178.A OE2 no hydrogen 3.168 N/A ARG 157.A NH2 GLU 178.A OE1 no hydrogen 3.016 N/A VAL 158.A N PRO 154.A O no hydrogen 3.118 N/A PHE 159.A N THR 155.A O no hydrogen 3.085 N/A PHE 160.A N GLN 156.A O no hydrogen 2.956 N/A GLU 161.A N ARG 157.A O no hydrogen 2.875 N/A LYS 162.A N VAL 158.A O no hydrogen 2.980 N/A LYS 162.A NZ ASN 42.A OD1 no hydrogen 2.677 N/A LEU 163.A N PHE 159.A O no hydrogen 2.872 N/A ALA 164.A N PHE 160.A O no hydrogen 2.885 N/A GLU 165.A N GLU 161.A O no hydrogen 3.074 N/A ALA 166.A N LYS 162.A O no hydrogen 3.035 N/A ALA 167.A N LEU 163.A O no hydrogen 2.894 N/A GLY 168.A N GLU 165.A O no hydrogen 3.048 N/A HIS 169.A N ALA 164.A O no hydrogen 2.805 N/A HIS 169.A NE2 LEU 126.A O no hydrogen 2.878 N/A ASP 172.A N ILE 207.A O no hydrogen 3.065 N/A PHE 173.A N GLU 161.A OE2 no hydrogen 3.175 N/A SER 174.A N ASP 172.A OD1 no hydrogen 3.258 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 3.469 N/A VAL 175.A N ASP 172.A O no hydrogen 3.035 N/A ALA 176.A N PHE 173.A O no hydrogen 3.021 N/A ARG 180.A NH2 SER 202.A OG no hydrogen 2.939 N/A ILE 181.A N THR 177.A O no hydrogen 3.188 N/A MET 182.A N GLU 178.A O no hydrogen 3.004 N/A ARG 183.A N LYS 179.A O no hydrogen 2.994 N/A ALA 184.A N ARG 180.A O no hydrogen 2.953 N/A CYS 185.A N ILE 181.A O no hydrogen 3.019 N/A CYS 185.A SG ILE 181.A O no hydrogen 3.352 N/A ILE 186.A N MET 182.A O no hydrogen 2.854 N/A ASP 187.A N ARG 183.A O no hydrogen 2.941 N/A GLY 188.A N ALA 184.A O no hydrogen 2.945 N/A MET 189.A N CYS 185.A O no hydrogen 3.197 N/A MET 189.A N ILE 186.A O no hydrogen 2.941 N/A THR 190.A N ILE 186.A O no hydrogen 2.933 N/A THR 190.A N ASP 187.A O no hydrogen 3.199 N/A THR 190.A OG1 ILE 186.A O no hydrogen 2.912 N/A LEU 191.A N ASP 187.A O no hydrogen 2.940 N/A ALA 196.A N LYS 192.A O no hydrogen 3.192 N/A LYS 198.A N MET 195.A O no hydrogen 3.083 N/A LYS 201.A N TYR 197.A O no hydrogen 2.830 N/A SER 202.A N LYS 198.A O no hydrogen 2.869 N/A LEU 203.A N GLU 199.A O no hydrogen 2.954 N/A PHE 204.A N MET 200.A O no hydrogen 2.871 N/A GLU 205.A N LYS 201.A O no hydrogen 2.832 N/A ASP 206.A N SER 202.A O no hydrogen 3.265 N/A ILE 207.A N LEU 203.A O no hydrogen 2.934 N/A SER 208.A N PHE 204.A O no hydrogen 2.917 N/A SER 208.A OG PHE 204.A O no hydrogen 2.710 N/A SER 208.A OG GLU 205.A O no hydrogen 3.168 N/A ASP 209.A N ASP 206.A O no hydrogen 3.245 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 3.124 N/A LYS 212.A N ASP 209.A O no hydrogen 2.532 N/A ILE 213.A N PRO 210.A O no hydrogen 3.144 N/A