Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ues_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 49.A O no hydrogen 2.888 N/A HIS 3.A N ASN 40.A OD1 no hydrogen 2.742 N/A TYR 10.A OH PHE 78.A O no hydrogen 2.766 N/A ALA 14.A N ALA 11.A O no hydrogen 2.952 N/A ALA 16.A N ASP 13.A O no hydrogen 3.315 N/A ILE 19.A N LEU 15.A O no hydrogen 3.098 N/A SER 20.A OG GLU 22.A OE1 no hydrogen 3.427 N/A SER 20.A OG THR 23.A OG1 no hydrogen 3.270 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.885 N/A THR 23.A N SER 20.A OG no hydrogen 2.951 N/A THR 23.A OG1 SER 20.A OG no hydrogen 3.270 N/A VAL 24.A N SER 20.A O no hydrogen 2.861 N/A GLU 25.A N LYS 21.A O no hydrogen 2.942 N/A PHE 26.A N GLU 22.A O no hydrogen 3.138 N/A HIS 27.A N THR 23.A O no hydrogen 2.647 N/A HIS 27.A NE2 HIS 74.A NE2 no hydrogen 3.204 N/A HIS 28.A N VAL 24.A O no hydrogen 2.878 N/A HIS 28.A NE2 ILE 6.A O no hydrogen 2.654 N/A GLY 29.A N VAL 24.A O no hydrogen 3.271 N/A LYS 30.A N PHE 26.A O no hydrogen 2.933 N/A HIS 31.A N PHE 26.A O no hydrogen 2.819 N/A LEU 32.A N HIS 27.A O no hydrogen 3.033 N/A LYS 33.A NZ LYS 30.A O no hydrogen 2.998 N/A LYS 33.A NZ THR 34.A OG1 no hydrogen 3.112 N/A THR 34.A N LYS 30.A O no hydrogen 2.949 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.937 N/A TYR 35.A N HIS 31.A O no hydrogen 3.010 N/A VAL 36.A N LEU 32.A O no hydrogen 2.955 N/A ASP 37.A N LYS 33.A O no hydrogen 2.858 N/A ASN 38.A N THR 34.A O no hydrogen 2.866 N/A ASN 38.A ND2 ASN 67.A OD1 no hydrogen 3.626 N/A LEU 39.A N TYR 35.A O no hydrogen 2.879 N/A ASN 40.A N VAL 36.A O no hydrogen 2.873 N/A ASN 40.A ND2 HIS 3.A O no hydrogen 2.921 N/A LYS 41.A N ASP 37.A O no hydrogen 3.042 N/A LEU 42.A N ASN 38.A O no hydrogen 2.899 N/A ILE 43.A N LEU 39.A O no hydrogen 3.160 N/A ILE 44.A N LYS 41.A O no hydrogen 3.414 N/A GLY 45.A N GLU 49.A OE2 no hydrogen 2.709 N/A THR 46.A N ILE 43.A O no hydrogen 3.091 N/A THR 46.A OG1 ILE 43.A O no hydrogen 2.774 N/A PHE 48.A N THR 46.A OG1 no hydrogen 3.047 N/A GLU 49.A N THR 46.A O no hydrogen 3.290 N/A ALA 51.A N PHE 48.A O no hydrogen 3.143 N/A ASP 52.A N ASP 52.A OD2 no hydrogen 2.587 N/A THR 55.A OG1 ASP 52.A OD2 no hydrogen 2.379 N/A ILE 56.A N ASP 52.A O no hydrogen 3.105 N/A VAL 57.A N LEU 53.A O no hydrogen 2.978 N/A GLN 58.A N ASN 54.A O no hydrogen 3.038 N/A LYS 59.A N THR 55.A O no hydrogen 3.044 N/A SER 60.A N ILE 56.A O no hydrogen 2.849 N/A SER 60.A OG ILE 56.A O no hydrogen 2.688 N/A PHE 65.A N GLU 61.A O no hydrogen 3.022 N/A ASN 66.A N GLY 62.A O no hydrogen 2.959 N/A ASN 67.A N GLY 63.A O no hydrogen 3.064 N/A ASN 67.A ND2 GLY 63.A O no hydrogen 2.921 N/A ALA 68.A N ILE 64.A O no hydrogen 2.858 N/A GLY 69.A N PHE 65.A O no hydrogen 2.745 N/A GLN 70.A N ASN 66.A O no hydrogen 3.179 N/A GLN 70.A NE2 TYR 35.A OH no hydrogen 2.992 N/A THR 71.A N ASN 67.A O no hydrogen 2.912 N/A THR 71.A OG1 ASN 67.A O no hydrogen 2.896 N/A LEU 72.A N ALA 68.A O no hydrogen 2.867 N/A ASN 73.A N GLY 69.A O no hydrogen 2.851 N/A ASN 73.A ND2 GLN 70.A OE1 no hydrogen 3.607 N/A ASN 73.A ND2 ALA 142.A O no hydrogen 3.091 N/A ASN 73.A ND2 GLY 143.A O no hydrogen 2.933 N/A HIS 74.A N GLN 70.A O no hydrogen 2.956 N/A HIS 74.A ND1 GLN 70.A O no hydrogen 2.577 N/A ASN 75.A N THR 71.A O no hydrogen 2.931 N/A LEU 76.A N LEU 72.A O no hydrogen 3.112 N/A TYR 77.A N ASN 73.A O no hydrogen 2.886 N/A PHE 78.A N HIS 74.A O no hydrogen 2.882 N/A THR 79.A N ASN 75.A O no hydrogen 3.312 N/A THR 79.A OG1 ASN 75.A O no hydrogen 2.752 N/A THR 79.A OG1 LEU 76.A O no hydrogen 3.369 N/A GLN 80.A N TYR 77.A O no hydrogen 3.277 N/A GLN 80.A NE2 THR 155.A O no hydrogen 2.724 N/A ARG 82.A N ILE 181.A O no hydrogen 2.947 N/A ARG 82.A NH1 THR 79.A O no hydrogen 3.116 N/A ARG 82.A NH1 PHE 81.A O no hydrogen 2.869 N/A GLY 86.A N VAL 182.A O no hydrogen 2.815 N/A LYS 90.A N GLU 188.A OE2 no hydrogen 3.001 N/A LYS 90.A NZ ASP 185.A OD1 no hydrogen 3.397 N/A LYS 92.A NZ TYR 191.A O no hydrogen 3.141 N/A GLY 94.A N LYS 90.A O no hydrogen 2.874 N/A GLU 95.A N GLY 91.A O no hydrogen 3.045 N/A ALA 96.A N LYS 92.A O no hydrogen 2.773 N/A ILE 97.A N LEU 93.A O no hydrogen 2.848 N/A ASP 98.A N GLY 94.A O no hydrogen 3.008 N/A LYS 99.A N GLU 95.A O no hydrogen 2.825 N/A GLN 100.A N ALA 96.A O no hydrogen 2.851 N/A PHE 101.A N ILE 97.A O no hydrogen 2.770 N/A GLY 102.A N ASP 98.A O no hydrogen 2.734 N/A LYS 106.A N SER 103.A OG no hydrogen 3.078 N/A LYS 106.A NZ GLU 110.A OE2 no hydrogen 3.038 N/A PHE 107.A N SER 103.A O no hydrogen 3.087 N/A LYS 108.A N PHE 104.A O no hydrogen 2.896 N/A LYS 108.A NZ GLU 105.A OE2 no hydrogen 3.029 N/A GLU 109.A N GLU 105.A O no hydrogen 3.057 N/A GLU 110.A N LYS 106.A O no hydrogen 3.062 N/A PHE 111.A N PHE 107.A O no hydrogen 2.845 N/A ASN 112.A N LYS 108.A O no hydrogen 2.808 N/A THR 113.A N GLU 109.A O no hydrogen 2.999 N/A THR 113.A OG1 GLU 109.A O no hydrogen 2.981 N/A ALA 114.A N GLU 110.A O no hydrogen 2.961 N/A GLY 115.A N PHE 111.A O no hydrogen 2.953 N/A THR 116.A N ASN 112.A O no hydrogen 2.840 N/A THR 116.A OG1 ASN 112.A O no hydrogen 3.070 N/A THR 117.A N THR 113.A O no hydrogen 2.951 N/A THR 117.A OG1 THR 113.A O no hydrogen 2.981 N/A TRP 123.A N GLU 139.A O no hydrogen 2.805 N/A TRP 123.A NE1 GLN 70.A OE1 no hydrogen 2.889 N/A VAL 124.A N PHE 156.A O no hydrogen 3.040 N/A TRP 125.A N GLU 137.A O no hydrogen 2.813 N/A TRP 125.A NE1 ASN 73.A OD1 no hydrogen 2.902 N/A LEU 126.A N LEU 154.A O no hydrogen 2.802 N/A ALA 127.A N SER 135.A O no hydrogen 2.932 N/A SER 128.A N ASN 151.A O no hydrogen 2.944 N/A ASP 129.A N LYS 133.A O no hydrogen 2.982 N/A ASN 131.A N ASP 129.A OD1 no hydrogen 2.721 N/A GLY 132.A N ASP 129.A O no hydrogen 3.137 N/A LYS 133.A N ASP 129.A OD1 no hydrogen 2.966 N/A SER 135.A N ALA 127.A O no hydrogen 2.922 N/A SER 135.A OG GLU 137.A OE2 no hydrogen 2.688 N/A GLU 137.A N TRP 125.A O no hydrogen 2.769 N/A GLU 139.A N TRP 123.A O no hydrogen 2.789 N/A ASN 141.A N SER 121.A O no hydrogen 2.782 N/A GLY 143.A N PRO 140.A O no hydrogen 3.101 N/A ARG 147.A N ASN 144.A O no hydrogen 2.864 N/A ARG 147.A NH2 SER 60.A O no hydrogen 3.140 N/A LYS 148.A N PRO 145.A O no hydrogen 2.834 N/A LYS 148.A NZ GLU 139.A OE2 no hydrogen 2.947 N/A GLY 149.A N VAL 146.A O no hydrogen 3.188 N/A LEU 150.A N PRO 145.A O no hydrogen 3.133 N/A ASN 151.A N SER 128.A O no hydrogen 2.798 N/A ASN 151.A ND2 SER 128.A OG no hydrogen 3.395 N/A ASN 151.A ND2 ARG 190.A O no hydrogen 2.479 N/A LEU 153.A N LEU 126.A O no hydrogen 2.862 N/A LEU 154.A N LEU 126.A O no hydrogen 3.374 N/A THR 155.A N GLN 80.A OE1 no hydrogen 3.263 N/A THR 155.A OG1 VAL 124.A O no hydrogen 2.842 N/A PHE 156.A N VAL 124.A O no hydrogen 2.964 N/A VAL 158.A N GLY 122.A O no hydrogen 2.819 N/A TRP 159.A N ASP 157.A OD1 no hydrogen 3.090 N/A TRP 159.A NE1 ASN 141.A O no hydrogen 2.972 N/A ALA 162.A N TRP 159.A O no hydrogen 3.015 N/A TYR 163.A N GLU 160.A O no hydrogen 3.047 N/A TYR 164.A N GLU 160.A O no hydrogen 2.807 N/A THR 166.A N TYR 163.A O no hydrogen 3.191 N/A TYR 167.A N TYR 163.A O no hydrogen 2.809 N/A TYR 167.A OH ASP 177.A OD2 no hydrogen 2.554 N/A GLN 168.A N TYR 164.A O no hydrogen 2.942 N/A GLN 168.A NE2 TYR 164.A O no hydrogen 3.199 N/A ARG 170.A N TYR 167.A O no hydrogen 2.843 N/A ARG 170.A NH1 ASP 173.A OD2 no hydrogen 2.944 N/A ARG 171.A N ASN 169.A O no hydrogen 2.831 N/A ARG 171.A NE TYR 163.A OH no hydrogen 2.969 N/A ARG 171.A NH1 GLY 115.A O no hydrogen 2.796 N/A ARG 171.A NH1 LEU 118.A O no hydrogen 2.786 N/A ARG 171.A NH2 GLY 120.A O no hydrogen 3.055 N/A HIS 174.A N ARG 170.A O no hydrogen 3.193 N/A LEU 175.A N ARG 171.A O no hydrogen 2.999 N/A LYS 176.A N ALA 172.A O no hydrogen 2.969 N/A LYS 176.A NZ ASP 173.A O no hydrogen 2.871 N/A LYS 176.A NZ ASP 177.A OD1 no hydrogen 3.347 N/A ASP 177.A N ASP 173.A O no hydrogen 3.173 N/A LEU 178.A N HIS 174.A O no hydrogen 2.998 N/A LEU 178.A N LEU 175.A O no hydrogen 3.101 N/A TRP 179.A NE1 ASN 112.A OD1 no hydrogen 2.793 N/A SER 180.A N ASP 177.A O no hydrogen 3.085 N/A SER 180.A OG ASP 177.A O no hydrogen 2.784 N/A ILE 181.A N LEU 178.A O no hydrogen 3.013 N/A VAL 182.A N TRP 179.A O no hydrogen 3.436 N/A ASP 183.A N GLN 80.A O no hydrogen 2.911 N/A ASP 185.A N ASP 183.A OD2 no hydrogen 2.915 N/A ILE 186.A N ASP 183.A O no hydrogen 3.045 N/A VAL 187.A N ASP 183.A O no hydrogen 3.254 N/A GLU 188.A N TRP 184.A O no hydrogen 2.787 N/A SER 189.A N ASP 185.A O no hydrogen 3.194 N/A SER 189.A OG ILE 186.A O no hydrogen 2.667 N/A ARG 190.A N VAL 187.A O no hydrogen 2.902 N/A ARG 190.A NH1 GLN 80.A OE1 no hydrogen 3.155 N/A ARG 190.A NH1 LEU 153.A O no hydrogen 2.916 N/A ARG 190.A NH2 LEU 76.A O no hydrogen 2.959 N/A TYR 191.A N GLU 188.A O no hydrogen 3.005 N/A TYR 191.A OH GLY 132.A O no hydrogen 2.620 N/A