Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 140.A OE1 no hydrogen 3.430 N/A VAL 1.A N GLU 140.A OE2 no hydrogen 2.462 N/A LYS 3.A NZ ASP 82.A O no hydrogen 2.731 N/A GLY 6.A N TYR 4.A O no hydrogen 3.076 N/A ASN 8.A N GLU 5.A O no hydrogen 2.910 N/A ASN 8.A ND2 GLU 5.A OE1 no hydrogen 3.492 N/A ASP 9.A N GLY 6.A O no hydrogen 2.970 N/A THR 12.A N ASP 9.A O no hydrogen 3.228 N/A THR 12.A OG1 ASP 9.A OD1 no hydrogen 2.770 N/A ASP 13.A N VAL 18.A O no hydrogen 2.951 N/A GLU 15.A N ASP 13.A OD1 no hydrogen 3.204 N/A GLY 17.A N ASP 13.A O no hydrogen 2.725 N/A VAL 18.A N THR 16.A OG1 no hydrogen 3.275 N/A TYR 20.A N TYR 11.A O no hydrogen 2.954 N/A ASN 21.A ND2 MET 19.A O no hydrogen 3.180 N/A ASN 21.A ND2 ILE 25.A O no hydrogen 2.915 N/A LEU 22.A N VAL 71.A O no hydrogen 2.771 N/A LEU 23.A N ASN 21.A OD1 no hydrogen 2.911 N/A ILE 25.A N ASN 21.A OD1 no hydrogen 3.149 N/A GLN 28.A NE2 GLU 32.A OE1 no hydrogen 3.008 N/A ARG 30.A N ASP 27.A OD1 no hydrogen 2.961 N/A LEU 31.A N ASP 27.A O no hydrogen 2.897 N/A GLU 32.A N GLN 28.A O no hydrogen 2.961 N/A ARG 33.A N ALA 29.A O no hydrogen 3.074 N/A VAL 34.A N ARG 30.A O no hydrogen 2.992 N/A GLU 35.A N LEU 31.A O no hydrogen 2.677 N/A SER 36.A N GLU 32.A O no hydrogen 2.977 N/A SER 36.A OG GLU 32.A O no hydrogen 2.765 N/A ALA 37.A N ARG 33.A O no hydrogen 3.132 N/A PHE 38.A N VAL 34.A O no hydrogen 3.022 N/A ALA 39.A N GLU 35.A O no hydrogen 2.928 N/A TYR 40.A N SER 36.A O no hydrogen 2.885 N/A ILE 41.A N ALA 37.A O no hydrogen 3.025 N/A ARG 42.A N PHE 38.A O no hydrogen 2.852 N/A ARG 42.A NE ASP 70.A OD1 no hydrogen 2.882 N/A ARG 42.A NH1 GLU 45.A OE1 no hydrogen 2.808 N/A ARG 42.A NH2 ASP 70.A OD1 no hydrogen 3.426 N/A ARG 42.A NH2 ASP 70.A OD2 no hydrogen 2.982 N/A SER 43.A N ALA 39.A O no hydrogen 2.957 N/A SER 43.A OG GLU 148.A OE2 no hydrogen 2.578 N/A PHE 44.A N TYR 40.A O no hydrogen 3.003 N/A GLU 45.A N ILE 41.A O no hydrogen 3.044 N/A LEU 46.A N ARG 42.A O no hydrogen 3.011 N/A GLY 47.A N SER 43.A O no hydrogen 2.946 N/A ARG 48.A N GLU 45.A O no hydrogen 3.111 N/A THR 49.A N GLU 45.A O no hydrogen 3.057 N/A PHE 55.A N HIS 59.A ND1 no hydrogen 2.992 N/A HIS 59.A N ASP 56.A OD1 no hydrogen 3.072 N/A HIS 59.A NE2 GLN 152.A OE1 no hydrogen 2.856 N/A MET 60.A N.A ASP 56.A O no hydrogen 3.104 N/A MET 60.A N.B ASP 56.A O no hydrogen 3.105 N/A LYS 61.A N LEU 57.A O no hydrogen 2.811 N/A LYS 62.A N ASP 58.A O no hydrogen 2.936 N/A ILE 63.A N HIS 59.A O no hydrogen 3.040 N/A HIS 64.A N MET 60.A O.A no hydrogen 3.014 N/A HIS 64.A N MET 60.A O.B no hydrogen 2.910 N/A HIS 64.A NE2 GLU 140.A O no hydrogen 2.825 N/A LYS 65.A N LYS 61.A O no hydrogen 2.884 N/A LYS 66.A N LYS 62.A O no hydrogen 2.939 N/A LYS 66.A NZ GLU 45.A OE1 no hydrogen 2.847 N/A LEU 67.A N ILE 63.A O no hydrogen 2.920 N/A PHE 68.A N HIS 64.A O no hydrogen 2.910 N/A VAL 71.A N PHE 68.A O no hydrogen 2.938 N/A TYR 72.A N PHE 68.A O no hydrogen 3.012 N/A TYR 72.A OH GLU 35.A OE2 no hydrogen 2.722 N/A ALA 75.A N TYR 72.A O no hydrogen 3.053 N/A GLY 76.A N HIS 64.A ND1 no hydrogen 2.970 N/A LYS 77.A N TRP 74.A O no hydrogen 2.963 N/A ARG 79.A N PRO 137.A O no hydrogen 2.844 N/A ARG 79.A NE HIS 136.A O no hydrogen 2.715 N/A ARG 79.A NH1 VAL 81.A O no hydrogen 2.931 N/A ARG 79.A NH1 ASP 82.A OD1 no hydrogen 3.421 N/A ARG 79.A NH1 ALA 91.A O no hydrogen 3.007 N/A ARG 79.A NH2 ALA 91.A O no hydrogen 2.775 N/A ARG 79.A NH2 LEU 135.A O no hydrogen 3.044 N/A ARG 79.A NH2 HIS 136.A O no hydrogen 3.044 N/A LEU 80.A N TYR 11.A OH no hydrogen 2.872 N/A LYS 85.A N SER 88.A O no hydrogen 3.057 N/A SER 88.A N LYS 85.A O no hydrogen 2.877 N/A SER 88.A OG LYS 85.A O no hydrogen 3.499 N/A SER 88.A OG ASP 86.A O no hydrogen 3.084 N/A PHE 90.A N ILE 83.A O no hydrogen 3.227 N/A ALA 91.A N ALA 134.A O no hydrogen 3.336 N/A HIS 92.A ND1 ASP 82.A OD2 no hydrogen 2.663 N/A TYR 93.A N ASP 82.A OD1 no hydrogen 2.818 N/A GLN 95.A N HIS 92.A O no hydrogen 2.929 N/A ILE 96.A N TYR 93.A O no hydrogen 3.328 N/A SER 98.A N GLN 95.A O no hydrogen 3.138 N/A TYR 99.A N GLN 95.A O no hydrogen 2.911 N/A ALA 100.A N ILE 96.A O no hydrogen 3.064 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.643 N/A ILE 103.A N TYR 99.A O no hydrogen 3.356 N/A THR 104.A N ALA 100.A O no hydrogen 2.875 N/A THR 104.A OG1 ALA 100.A O no hydrogen 3.374 N/A GLN 105.A N PRO 101.A O no hydrogen 2.816 N/A LEU 107.A N ILE 103.A O no hydrogen 3.171 N/A ALA 108.A N THR 104.A O no hydrogen 2.956 N/A ARG 109.A N GLN 105.A O no hydrogen 2.987 N/A GLU 110.A N GLN 106.A O no hydrogen 2.953 N/A GLU 110.A N LEU 107.A O no hydrogen 3.104 N/A GLN 111.A N ALA 108.A O no hydrogen 2.971 N/A GLN 111.A NE2 ARG 109.A O no hydrogen 2.969 N/A HIS 112.A N LEU 107.A O no hydrogen 3.056 N/A HIS 112.A NE2 LYS 54.A O no hydrogen 3.173 N/A LEU 113.A N GLU 110.A O no hydrogen 3.008 N/A ARG 114.A N GLN 111.A O no hydrogen 3.014 N/A GLU 120.A N ASP 117.A OD1 no hydrogen 2.966 N/A PHE 121.A N ASP 117.A O no hydrogen 2.862 N/A SER 122.A N ALA 118.A O no hydrogen 3.004 N/A SER 122.A OG ALA 118.A O no hydrogen 2.862 N/A GLN 123.A N ASN 119.A O no hydrogen 3.009 N/A ARG 124.A N GLU 120.A O no hydrogen 2.962 N/A ARG 124.A NE GLU 110.A OE1 no hydrogen 2.623 N/A ARG 124.A NH2 GLU 110.A OE2 no hydrogen 2.982 N/A ALA 125.A N PHE 121.A O no hydrogen 2.734 N/A GLY 126.A N SER 122.A O no hydrogen 2.913 N/A TYR 127.A N GLN 123.A O no hydrogen 3.149 N/A TYR 127.A OH GLN 106.A OE1 no hydrogen 2.805 N/A TYR 128.A N ARG 124.A O no hydrogen 2.989 N/A TYR 128.A OH GLU 110.A OE2 no hydrogen 2.718 N/A MET 129.A N ALA 125.A O no hydrogen 2.818 N/A GLY 130.A N GLY 126.A O no hydrogen 2.959 N/A GLU 131.A N TYR 127.A O no hydrogen 2.984 N/A LEU 132.A N TYR 128.A O no hydrogen 2.888 N/A ASN 133.A N MET 129.A O no hydrogen 2.818 N/A ALA 134.A N GLY 130.A O no hydrogen 3.030 N/A LEU 135.A N GLU 131.A O no hydrogen 3.083 N/A HIS 136.A N LEU 132.A O no hydrogen 3.144 N/A HIS 136.A ND1 ASN 133.A O no hydrogen 2.785 N/A PHE 138.A N ASN 142.A OD1 no hydrogen 2.879 N/A ARG 139.A NE ASP 9.A OD2 no hydrogen 3.085 N/A ARG 139.A NH1 VAL 1.A O no hydrogen 2.904 N/A ARG 139.A NH1 ARG 139.A O no hydrogen 2.799 N/A ARG 139.A NH1 GLU 140.A OE2 no hydrogen 3.428 N/A ARG 139.A NH2 VAL 1.A O no hydrogen 3.261 N/A ARG 139.A NH2 ASP 9.A OD1 no hydrogen 2.904 N/A ASN 142.A ND2 PHE 138.A O no hydrogen 2.851 N/A ARG 144.A NH1 GLU 35.A OE1 no hydrogen 2.786 N/A ARG 144.A NH2 GLU 35.A OE1 no hydrogen 2.929 N/A THR 145.A N GLY 141.A O no hydrogen 2.972 N/A THR 145.A OG1 GLY 141.A O no hydrogen 2.780 N/A LEU 146.A N ASN 142.A O no hydrogen 2.839 N/A ARG 147.A N GLY 143.A O no hydrogen 2.911 N/A GLU 148.A N ARG 144.A O no hydrogen 3.297 N/A PHE 149.A N THR 145.A O no hydrogen 3.028 N/A ILE 150.A N LEU 146.A O no hydrogen 2.907 N/A TRP 151.A N ARG 147.A O no hydrogen 2.821 N/A GLN 152.A N GLU 148.A O no hydrogen 3.041 N/A GLN 152.A NE2 ILE 51.A O no hydrogen 2.865 N/A GLN 152.A NE2 GLU 156.A OE2 no hydrogen 2.949 N/A LEU 153.A N PHE 149.A O no hydrogen 3.023 N/A ALA 154.A N ILE 150.A O no hydrogen 2.895 N/A ARG 155.A N TRP 151.A O no hydrogen 2.808 N/A GLU 156.A N GLN 152.A O no hydrogen 2.915 N/A ALA 157.A N LEU 153.A O no hydrogen 3.103 N/A GLY 158.A N ARG 155.A O no hydrogen 2.968 N/A TYR 159.A N ALA 154.A O no hydrogen 2.859 N/A TYR 159.A OH LEU 116.A O no hydrogen 2.764 N/A HIS 160.A N THR 195.A O no hydrogen 2.655 N/A ASP 162.A N ASN 193.A O no hydrogen 3.010 N/A ASP 164.A N.A ASP 162.A OD1 no hydrogen 3.038 N/A ASP 164.A N.B ASP 162.A OD1 no hydrogen 3.066 N/A ARG 165.A N ASP 162.A OD2 no hydrogen 3.386 N/A VAL 166.A N TRP 163.A O no hydrogen 3.075 N/A GLU 167.A N GLU 170.A OE1 no hydrogen 3.085 N/A MET 171.A N GLU 167.A O no hydrogen 3.051 N/A THR 172.A N ARG 168.A O no hydrogen 2.835 N/A THR 172.A OG1 ARG 168.A O no hydrogen 3.097 N/A ARG 173.A N GLN 169.A O no hydrogen 3.002 N/A ARG 173.A NE GLU 177.A OE2 no hydrogen 3.032 N/A ARG 173.A NH2 GLU 177.A OE2 no hydrogen 3.425 N/A ALA 174.A N GLU 170.A O no hydrogen 3.010 N/A SER 175.A N MET 171.A O no hydrogen 2.917 N/A SER 175.A OG MET 171.A O no hydrogen 3.004 N/A ILE 176.A N THR 172.A O no hydrogen 2.954 N/A GLU 177.A N ARG 173.A O no hydrogen 2.892 N/A SER 178.A N ALA 174.A O no hydrogen 2.980 N/A SER 178.A OG ALA 174.A O no hydrogen 3.000 N/A SER 178.A OG SER 175.A O no hydrogen 3.189 N/A TYR 179.A N SER 175.A O no hydrogen 3.081 N/A TYR 179.A OH LYS 89.A O no hydrogen 3.010 N/A TYR 180.A N ILE 176.A O no hydrogen 3.181 N/A TYR 180.A OH ASN 87.A O no hydrogen 2.692 N/A GLY 181.A N SER 178.A O no hydrogen 2.992 N/A ASN 182.A N GLU 177.A O no hydrogen 3.024 N/A ASN 182.A ND2 ASP 184.A OD2 no hydrogen 3.371 N/A ASP 184.A N ASN 182.A OD1 no hydrogen 2.865 N/A SER 187.A N SER 183.A O no hydrogen 2.973 N/A SER 187.A OG SER 122.A O no hydrogen 3.149 N/A SER 187.A OG GLN 123.A O no hydrogen 3.358 N/A SER 187.A OG SER 183.A O no hydrogen 3.004 N/A ALA 188.A N ASP 184.A O no hydrogen 2.932 N/A LEU 189.A N LEU 185.A O no hydrogen 2.929 N/A ILE 190.A N MET 186.A O no hydrogen 3.071 N/A ARG 191.A N SER 187.A O no hydrogen 2.839 N/A ARG 191.A NE ASN 119.A OD1 no hydrogen 2.818 N/A ARG 191.A NH1 ARG 191.A O no hydrogen 2.923 N/A ARG 192.A N ALA 188.A O no hydrogen 2.951 N/A ARG 192.A NE GLU 170.A OE2 no hydrogen 3.257 N/A ARG 192.A NH2 GLU 170.A OE2 no hydrogen 3.267 N/A ASN 193.A N ILE 190.A O no hydrogen 3.041 N/A ASN 193.A ND2 LEU 189.A O no hydrogen 2.877 N/A LEU 194.A N ARG 191.A O no hydrogen 3.278 N/A THR 195.A N HIS 160.A O no hydrogen 2.967 N/A PHE 197.A N GLY 158.A O no hydrogen 2.957 N/A