Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE2 no hydrogen 3.160 N/A SER 1.A OG GLU 4.A OE2 no hydrogen 3.205 N/A ILE 5.A N SER 1.A O no hydrogen 2.868 N/A PHE 6.A N VAL 2.A O no hydrogen 3.018 N/A VAL 7.A N SER 3.A O no hydrogen 3.010 N/A GLU 8.A N GLU 4.A O no hydrogen 3.044 N/A LEU 9.A N ILE 5.A O no hydrogen 2.979 N/A GLN 10.A N PHE 6.A O no hydrogen 2.995 N/A GLY 11.A N VAL 7.A O no hydrogen 3.039 N/A PHE 12.A N GLU 8.A O no hydrogen 3.090 N/A LEU 13.A N LEU 9.A O no hydrogen 2.956 N/A ALA 14.A N GLN 10.A O no hydrogen 2.993 N/A ALA 15.A N GLY 11.A O no hydrogen 3.046 N/A GLU 16.A N PHE 12.A O no hydrogen 2.989 N/A GLN 17.A N LEU 13.A O no hydrogen 3.011 N/A ASP 18.A N ALA 14.A O no hydrogen 3.005 N/A ILE 19.A N ALA 15.A O no hydrogen 3.016 N/A ARG 20.A N GLU 16.A O no hydrogen 2.987 N/A GLU 21.A N GLN 17.A O no hydrogen 3.015 N/A GLU 22.A N ASP 18.A O no hydrogen 2.980 N/A ILE 23.A N ILE 19.A O no hydrogen 2.989 N/A ARG 24.A N ARG 20.A O no hydrogen 2.980 N/A LYS 25.A N GLU 21.A O no hydrogen 3.027 N/A LYS 25.A NZ GLU 22.A OE2 no hydrogen 2.996 N/A VAL 26.A N GLU 22.A O no hydrogen 3.014 N/A VAL 27.A N ILE 23.A O no hydrogen 2.961 N/A GLN 28.A N ARG 24.A O no hydrogen 2.993 N/A GLN 28.A N LYS 25.A O no hydrogen 2.897 N/A SER 29.A N LYS 25.A O no hydrogen 3.040 N/A SER 29.A OG HIS 65.A NE2 no hydrogen 2.723 N/A LEU 30.A N VAL 26.A O no hydrogen 2.947 N/A GLU 31.A N VAL 27.A O no hydrogen 2.955 N/A GLN 32.A N GLN 28.A O no hydrogen 3.044 N/A GLN 32.A NE2 GLU 36.A OE2 no hydrogen 2.941 N/A THR 33.A N SER 29.A O no hydrogen 3.014 N/A ALA 34.A N LEU 30.A O no hydrogen 2.959 N/A ARG 35.A N GLU 31.A O no hydrogen 2.978 N/A ARG 35.A NH2 GLN 32.A OE1 no hydrogen 2.887 N/A GLU 36.A N GLN 32.A O no hydrogen 3.031 N/A ILE 37.A N THR 33.A O no hydrogen 2.996 N/A LEU 38.A N ALA 34.A O no hydrogen 2.931 N/A THR 39.A N ARG 35.A O no hydrogen 2.994 N/A THR 39.A OG1 ARG 35.A O no hydrogen 3.297 N/A LEU 40.A N GLU 36.A O no hydrogen 3.029 N/A LEU 41.A N ILE 37.A O no hydrogen 3.012 N/A GLN 42.A N LEU 38.A O no hydrogen 2.918 N/A GLY 43.A N THR 39.A O no hydrogen 3.084 N/A GLY 43.A N LEU 40.A O no hydrogen 3.233 N/A VAL 44.A N LEU 41.A O no hydrogen 2.883 N/A HIS 45.A N GLN 42.A O no hydrogen 2.826 N/A HIS 45.A NE2 GLU 144.A OE2 no hydrogen 3.143 N/A CYS 52.A N ILE 48.A O no hydrogen 2.929 N/A CYS 52.A SG ILE 48.A O no hydrogen 3.917 N/A LEU 53.A N PRO 49.A O no hydrogen 2.970 N/A LYS 54.A N LYS 50.A O no hydrogen 3.023 N/A ALA 55.A N ARG 51.A O no hydrogen 2.982 N/A ARG 56.A N CYS 52.A O no hydrogen 2.971 N/A ARG 56.A NE GLU 103.A OE1 no hydrogen 3.122 N/A ARG 56.A NE GLU 103.A OE2 no hydrogen 3.066 N/A ARG 56.A NH2 GLU 103.A OE1 no hydrogen 3.172 N/A GLU 57.A N LEU 53.A O no hydrogen 3.030 N/A HIS 58.A N LYS 54.A O no hydrogen 3.089 N/A HIS 58.A NE2 GLU 36.A OE1 no hydrogen 3.107 N/A PHE 59.A N ALA 55.A O no hydrogen 3.014 N/A GLY 60.A N GLU 57.A O no hydrogen 2.992 N/A THR 61.A OG1 HIS 58.A O no hydrogen 2.700 N/A VAL 62.A N HIS 58.A O no hydrogen 3.114 N/A LYS 63.A N PHE 59.A O no hydrogen 2.955 N/A LYS 63.A NZ ILE 116.A O no hydrogen 2.637 N/A THR 64.A N GLY 60.A O no hydrogen 3.055 N/A THR 64.A OG1 THR 61.A O no hydrogen 2.923 N/A HIS 65.A N THR 61.A O no hydrogen 3.040 N/A LEU 66.A N VAL 62.A O no hydrogen 2.999 N/A THR 67.A N LYS 63.A O no hydrogen 3.028 N/A THR 67.A OG1 LYS 63.A O no hydrogen 3.065 N/A THR 67.A OG1 THR 64.A O no hydrogen 2.844 N/A SER 68.A N THR 64.A O no hydrogen 2.997 N/A LEU 69.A N HIS 65.A O no hydrogen 2.981 N/A LYS 70.A N LEU 66.A O no hydrogen 3.006 N/A LYS 70.A NZ GLU 120.A OE2 no hydrogen 2.981 N/A THR 71.A N SER 68.A O no hydrogen 3.084 N/A THR 71.A OG1 SER 68.A O no hydrogen 2.770 N/A LYS 72.A N LEU 69.A O no hydrogen 2.939 N/A LYS 72.A NZ GLU 22.A OE1 no hydrogen 2.901 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.614 N/A GLN 77.A N PRO 74.A O no hydrogen 2.919 N/A ARG 80.A N GLN 77.A O no hydrogen 3.015 N/A ARG 80.A NH1 GLU 16.A OE1 no hydrogen 3.164 N/A ARG 80.A NH2 GLU 16.A OE1 no hydrogen 3.079 N/A PHE 81.A N TYR 78.A O no hydrogen 3.018 N/A HIS 84.A N PHE 81.A O no hydrogen 3.008 N/A TRP 85.A N HIS 82.A O no hydrogen 2.994 N/A TRP 85.A NE1 TYR 78.A OH no hydrogen 3.330 N/A ARG 86.A N HIS 82.A O no hydrogen 3.039 N/A ARG 86.A NH1 HIS 82.A NE2 no hydrogen 2.939 N/A LEU 89.A N TRP 85.A O no hydrogen 2.759 N/A GLN 90.A N ARG 86.A O no hydrogen 2.929 N/A GLN 90.A NE2 ASP 133.A OD1 no hydrogen 3.197 N/A ARG 91.A N PHE 87.A O no hydrogen 2.990 N/A LEU 92.A N VAL 88.A O no hydrogen 2.826 N/A VAL 93.A N LEU 89.A O no hydrogen 2.905 N/A PHE 94.A N GLN 90.A O no hydrogen 2.925 N/A LEU 95.A N ARG 91.A O no hydrogen 2.806 N/A ALA 96.A N LEU 92.A O no hydrogen 2.847 N/A ALA 97.A N VAL 93.A O no hydrogen 2.875 N/A PHE 98.A N PHE 94.A O no hydrogen 2.782 N/A VAL 99.A N LEU 95.A O no hydrogen 2.893 N/A VAL 100.A N ALA 96.A O no hydrogen 2.972 N/A TYR 101.A N ALA 97.A O no hydrogen 2.820 N/A LEU 102.A N PHE 98.A O no hydrogen 2.921 N/A GLU 103.A N VAL 99.A O no hydrogen 2.976 N/A GLU 103.A N VAL 100.A O no hydrogen 3.111 N/A THR 104.A N VAL 100.A O no hydrogen 2.886 N/A THR 104.A N TYR 101.A O no hydrogen 3.071 N/A THR 104.A OG1 VAL 100.A O no hydrogen 2.738 N/A THR 104.A OG1 THR 106.A OG1 no hydrogen 2.746 N/A GLU 105.A N TYR 101.A O no hydrogen 2.589 N/A THR 106.A N THR 104.A OG1 no hydrogen 3.364 N/A THR 106.A OG1 THR 104.A OG1 no hydrogen 2.746 N/A ARG 110.A NH1 ASP 122.A OD1 no hydrogen 3.528 N/A ARG 110.A NH1 ASP 122.A OD2 no hydrogen 3.243 N/A ARG 110.A NH1 LEU 129.A O no hydrogen 3.035 N/A ARG 110.A NH2 ASP 122.A OD2 no hydrogen 3.519 N/A ALA 112.A N THR 109.A OG1 no hydrogen 3.193 N/A VAL 113.A N THR 109.A O no hydrogen 2.922 N/A THR 114.A N ARG 110.A O no hydrogen 3.025 N/A THR 114.A OG1 GLU 111.A O no hydrogen 2.670 N/A THR 114.A OG1 GLU 115.A OE2 no hydrogen 2.776 N/A GLU 115.A N GLU 111.A O no hydrogen 3.042 N/A ILE 116.A N ALA 112.A O no hydrogen 2.987 N/A LEU 117.A N VAL 113.A O no hydrogen 2.977 N/A GLY 118.A N THR 114.A O no hydrogen 2.844 N/A ILE 119.A N THR 114.A O no hydrogen 3.041 N/A GLU 120.A N PHE 127.A O no hydrogen 2.966 N/A GLU 124.A N PRO 121.A O no hydrogen 3.206 N/A PHE 127.A N GLU 120.A OE1 no hydrogen 3.032 N/A GLU 132.A N ASP 130.A OD1 no hydrogen 3.344 N/A GLU 132.A N GLU 132.A OE2 no hydrogen 2.811 N/A TYR 134.A N ASP 130.A O no hydrogen 3.073 N/A TYR 134.A OH VAL 108.A O no hydrogen 2.634 N/A LEU 135.A N VAL 131.A O no hydrogen 3.019 N/A SER 136.A N GLU 132.A O no hydrogen 2.972 N/A SER 136.A OG GLU 132.A O no hydrogen 3.024 N/A GLY 137.A N ASP 133.A O no hydrogen 3.028 N/A VAL 138.A N TYR 134.A O no hydrogen 2.984 N/A LEU 139.A N LEU 135.A O no hydrogen 3.017 N/A ILE 140.A N SER 136.A O no hydrogen 3.010 N/A LEU 141.A N GLY 137.A O no hydrogen 2.976 N/A ALA 142.A N VAL 138.A O no hydrogen 2.961 N/A SER 143.A N LEU 139.A O no hydrogen 3.049 N/A SER 143.A OG ILE 140.A O no hydrogen 3.122 N/A GLU 144.A N ILE 140.A O no hydrogen 2.999 N/A GLU 144.A N LEU 141.A O no hydrogen 2.999 N/A LEU 145.A N LEU 141.A O no hydrogen 2.922 N/A LEU 145.A N ALA 142.A O no hydrogen 2.889 N/A SER 146.A N ALA 142.A O no hydrogen 3.045 N/A SER 146.A OG SER 143.A O no hydrogen 3.121 N/A SER 146.A OG ASP 195.A OD1 no hydrogen 2.974 N/A LEU 148.A N GLU 144.A O no hydrogen 2.995 N/A SER 149.A N LEU 145.A O no hydrogen 2.932 N/A VAL 150.A N SER 146.A O no hydrogen 3.130 N/A ASN 151.A N ARG 147.A O no hydrogen 3.048 N/A ASN 151.A ND2 HIS 45.A ND1 no hydrogen 2.865 N/A SER 152.A N LEU 148.A O no hydrogen 2.913 N/A SER 152.A OG ASP 157.A O no hydrogen 2.945 N/A VAL 153.A N SER 149.A O no hydrogen 3.080 N/A THR 154.A N VAL 150.A O no hydrogen 3.077 N/A ALA 155.A N SER 152.A O no hydrogen 2.951 N/A GLY 156.A N VAL 153.A O no hydrogen 3.212 N/A ASP 157.A N SER 152.A O no hydrogen 3.043 N/A SER 159.A N ASP 157.A OD1 no hydrogen 2.821 N/A ARG 160.A N ASP 157.A OD1 no hydrogen 3.046 N/A LEU 162.A N SER 159.A O no hydrogen 3.023 N/A HIS 163.A ND1 GLU 105.A OE2 no hydrogen 3.084 N/A ILE 164.A N ARG 160.A O no hydrogen 2.898 N/A SER 165.A N PRO 161.A O no hydrogen 3.007 N/A THR 166.A N LEU 162.A O no hydrogen 3.017 N/A THR 166.A OG1 LEU 162.A O no hydrogen 3.476 N/A PHE 167.A N HIS 163.A O no hydrogen 2.956 N/A ILE 168.A N ILE 164.A O no hydrogen 2.963 N/A ASN 169.A N SER 165.A O no hydrogen 2.996 N/A ASN 169.A ND2 SER 165.A O no hydrogen 2.833 N/A GLU 170.A N THR 166.A O no hydrogen 2.988 N/A LEU 171.A N PHE 167.A O no hydrogen 2.979 N/A ASP 172.A N ILE 168.A O no hydrogen 2.965 N/A SER 173.A N ASN 169.A O no hydrogen 2.990 N/A SER 173.A OG ASN 169.A O no hydrogen 3.384 N/A SER 173.A OG GLU 170.A O no hydrogen 3.012 N/A GLY 174.A N GLU 170.A O no hydrogen 3.020 N/A PHE 175.A N LEU 171.A O no hydrogen 2.956 N/A ARG 176.A N ASP 172.A O no hydrogen 2.973 N/A LEU 177.A N SER 173.A O no hydrogen 3.095 N/A LEU 177.A N GLY 174.A O no hydrogen 2.902 N/A LEU 178.A N PHE 175.A O no hydrogen 2.937 N/A SER 184.A OG ASN 182.A OD1 no hydrogen 3.496 N/A ARG 186.A N ASN 182.A O no hydrogen 3.009 N/A ARG 186.A NE LEU 180.A O no hydrogen 2.886 N/A ARG 186.A NH2 ASP 183.A OD1 no hydrogen 2.958 N/A LYS 187.A N ASP 183.A O no hydrogen 2.997 N/A ARG 188.A N SER 184.A O no hydrogen 3.007 N/A TYR 189.A N LEU 185.A O no hydrogen 3.002 N/A ASP 190.A N ARG 186.A O no hydrogen 3.046 N/A ASP 190.A N LYS 187.A O no hydrogen 3.213 N/A GLY 191.A N ARG 188.A O no hydrogen 3.071 N/A LEU 192.A N TYR 189.A O no hydrogen 2.835 N/A LYS 193.A NZ ASP 190.A O no hydrogen 3.119 N/A VAL 196.A N LEU 192.A O no hydrogen 2.981 N/A LYS 197.A N LYS 193.A O no hydrogen 3.012 N/A LYS 198.A N TYR 194.A O no hydrogen 3.003 N/A VAL 199.A N ASP 195.A O no hydrogen 3.033 N/A GLU 200.A N VAL 196.A O no hydrogen 2.980 N/A GLU 201.A N LYS 197.A O no hydrogen 2.992 N/A VAL 202.A N LYS 198.A O no hydrogen 3.018 N/A VAL 203.A N VAL 199.A O no hydrogen 3.035 N/A TYR 204.A N GLU 200.A O no hydrogen 2.988 N/A ASP 205.A N GLU 201.A O no hydrogen 2.927 N/A LEU 206.A N VAL 202.A O no hydrogen 3.040 N/A SER 207.A N VAL 203.A O no hydrogen 2.960 N/A SER 207.A OG VAL 203.A O no hydrogen 3.332 N/A ILE 208.A N TYR 204.A O no hydrogen 3.081 N/A ARG 209.A N LEU 206.A O no hydrogen 3.198 N/A ARG 209.A NH1 ASP 205.A O no hydrogen 2.740 N/A GLY 210.A N SER 207.A O no hydrogen 2.831 N/A PHE 211.A N LEU 206.A O no hydrogen 3.096 N/A