Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ASP 220.A OD1 no hydrogen 2.734 N/A ARG 3.A NH2 ASP 220.A OD1 no hydrogen 2.669 N/A ARG 3.A NH2 ASP 220.A OD2 no hydrogen 2.980 N/A VAL 4.A N ASP 82.A OD2 no hydrogen 2.831 N/A ALA 5.A N ALA 28.A O no hydrogen 2.883 N/A PHE 6.A N VAL 83.A O no hydrogen 2.973 N/A VAL 7.A N ALA 30.A O no hydrogen 2.919 N/A THR 8.A N ILE 85.A O no hydrogen 3.291 N/A GLY 9.A N SER 32.A OG no hydrogen 3.108 N/A GLY 10.A N SER 32.A O no hydrogen 3.135 N/A GLY 12.A N GLY 9.A O no hydrogen 3.007 N/A ALA 16.A N GLY 12.A O no hydrogen 2.559 N/A ALA 17.A N GLY 13.A O no hydrogen 3.120 N/A ILE 18.A N LEU 14.A O no hydrogen 2.977 N/A SER 19.A N GLY 15.A O no hydrogen 3.047 N/A SER 19.A OG GLY 10.A O no hydrogen 3.513 N/A SER 19.A OG GLY 15.A O no hydrogen 3.114 N/A ARG 20.A N ALA 16.A O no hydrogen 3.075 N/A ARG 20.A NE GLU 47.A OE1 no hydrogen 2.992 N/A ARG 20.A NH1 GLU 47.A OE1 no hydrogen 2.889 N/A ARG 21.A N ALA 17.A O no hydrogen 3.087 N/A ARG 21.A NE ASP 208.A OD1 no hydrogen 3.094 N/A ARG 21.A NH2 ASP 208.A OD1 no hydrogen 3.495 N/A ARG 21.A NH2 ASP 208.A OD2 no hydrogen 2.952 N/A LEU 22.A N ILE 18.A O no hydrogen 2.943 N/A HIS 23.A N SER 19.A O no hydrogen 2.966 N/A ASP 24.A N ARG 20.A O no hydrogen 2.967 N/A ALA 25.A N LEU 22.A O no hydrogen 3.094 N/A GLY 26.A N HIS 23.A O no hydrogen 2.735 N/A MET 27.A N LEU 22.A O no hydrogen 3.136 N/A ALA 30.A N ALA 5.A O no hydrogen 2.844 N/A VAL 31.A N LYS 55.A O no hydrogen 2.931 N/A SER 32.A N VAL 7.A O no hydrogen 3.002 N/A HIS 33.A N TYR 57.A O no hydrogen 2.903 N/A GLU 35.A N HIS 33.A ND1 no hydrogen 2.907 N/A VAL 40.A N ARG 36.A O no hydrogen 3.097 N/A SER 41.A N ASN 37.A O no hydrogen 2.788 N/A THR 42.A N ASP 38.A O no hydrogen 3.147 N/A THR 42.A OG1 ASP 38.A O no hydrogen 2.773 N/A TRP 43.A N HIS 39.A O no hydrogen 2.972 N/A LEU 44.A N VAL 40.A O no hydrogen 2.879 N/A MET 45.A N THR 42.A O no hydrogen 2.953 N/A HIS 46.A N THR 42.A O no hydrogen 3.087 N/A GLU 47.A N TRP 43.A O no hydrogen 3.148 N/A ARG 48.A N LEU 44.A O no hydrogen 3.023 N/A ASP 49.A N MET 45.A O no hydrogen 2.701 N/A ALA 50.A N GLU 47.A O no hydrogen 2.955 N/A GLY 51.A N ARG 48.A O no hydrogen 3.185 N/A ARG 52.A N GLU 47.A O no hydrogen 2.945 N/A ARG 52.A NE ASP 24.A OD1 no hydrogen 2.865 N/A ARG 52.A NH2 ASP 24.A OD1 no hydrogen 3.569 N/A ARG 52.A NH2 ASP 24.A OD2 no hydrogen 2.982 N/A TYR 57.A OH ASP 77.A OD2 no hydrogen 2.611 N/A VAL 59.A N HIS 33.A O no hydrogen 3.087 N/A ASP 60.A N SER 66.A OG no hydrogen 2.799 N/A ALA 62.A N ASP 60.A OD1 no hydrogen 3.060 N/A ASP 63.A N ASP 60.A O no hydrogen 2.824 N/A SER 66.A N ASP 63.A OD2 no hydrogen 2.570 N/A CYS 67.A N ASP 63.A O no hydrogen 2.980 N/A CYS 67.A SG ASP 60.A O no hydrogen 3.828 N/A CYS 67.A SG VAL 61.A O no hydrogen 3.834 N/A CYS 67.A SG ASP 63.A O no hydrogen 3.401 N/A GLU 68.A N PHE 64.A O no hydrogen 2.941 N/A ARG 69.A N GLU 65.A O no hydrogen 2.835 N/A CYS 70.A N SER 66.A O no hydrogen 2.818 N/A ALA 71.A N CYS 67.A O no hydrogen 2.965 N/A GLU 72.A N GLU 68.A O no hydrogen 3.273 N/A LYS 73.A N ARG 69.A O no hydrogen 3.403 N/A VAL 74.A N CYS 70.A O no hydrogen 3.095 N/A LEU 75.A N ALA 71.A O no hydrogen 2.944 N/A ALA 76.A N GLU 72.A O no hydrogen 2.722 N/A ASP 77.A N LYS 73.A O no hydrogen 2.888 N/A PHE 78.A N VAL 74.A O no hydrogen 2.694 N/A GLY 79.A N LEU 75.A O no hydrogen 2.628 N/A LYS 80.A NZ LYS 2.A O no hydrogen 3.231 N/A LYS 80.A NZ ASP 82.A OD2 no hydrogen 2.916 N/A ASP 82.A N VAL 4.A O no hydrogen 2.856 N/A VAL 83.A N VAL 4.A O no hydrogen 3.058 N/A LEU 84.A N ARG 133.A O no hydrogen 2.761 N/A ILE 85.A N PHE 6.A O no hydrogen 3.046 N/A ASN 86.A N VAL 135.A O no hydrogen 2.915 N/A ASN 87.A N THR 8.A OG1 no hydrogen 2.986 N/A ASN 87.A ND2 THR 8.A O no hydrogen 3.166 N/A ASN 87.A ND2 GLY 9.A O no hydrogen 3.328 N/A ALA 88.A N THR 8.A OG1 no hydrogen 2.790 N/A ILE 90.A N ASP 111.A OD1 no hydrogen 2.921 N/A ARG 92.A NH2 THR 91.A O no hydrogen 3.170 N/A ALA 94.A N GLY 148.A O no hydrogen 2.763 N/A LYS 98.A N THR 95.A OG1 no hydrogen 3.063 N/A MET 99.A N THR 95.A O no hydrogen 2.723 N/A THR 100.A N ASP 103.A OD2 no hydrogen 3.327 N/A ASP 103.A N THR 100.A OG1 no hydrogen 2.875 N/A TRP 104.A N THR 100.A O no hydrogen 3.035 N/A ASP 105.A N LYS 101.A O no hydrogen 2.776 N/A ALA 106.A N GLY 102.A O no hydrogen 2.929 N/A VAL 107.A N ASP 103.A O no hydrogen 3.348 N/A MET 108.A N TRP 104.A O no hydrogen 3.054 N/A ARG 109.A N ASP 105.A O no hydrogen 2.823 N/A THR 110.A N ALA 106.A O no hydrogen 3.284 N/A THR 110.A OG1 ALA 106.A O no hydrogen 2.565 N/A ASP 111.A N VAL 107.A O no hydrogen 2.817 N/A LEU 112.A N MET 108.A O no hydrogen 3.257 N/A ASP 113.A N MET 108.A O no hydrogen 3.141 N/A MET 115.A N LEU 112.A O no hydrogen 3.052 N/A PHE 116.A N ASP 113.A O no hydrogen 2.939 N/A ASN 117.A N ASP 113.A O no hydrogen 2.808 N/A ASN 117.A ND2 VAL 61.A O no hydrogen 2.870 N/A VAL 118.A N ALA 114.A O no hydrogen 2.957 N/A THR 119.A OG1 MET 115.A O no hydrogen 2.857 N/A LYS 120.A N PHE 116.A O no hydrogen 2.878 N/A GLN 121.A N VAL 118.A O no hydrogen 2.925 N/A GLN 121.A NE2 ASN 117.A O no hydrogen 3.009 N/A PHE 122.A N THR 119.A O no hydrogen 3.129 N/A ILE 123.A N THR 119.A O no hydrogen 2.910 N/A GLY 125.A N PHE 122.A O no hydrogen 3.138 N/A MET 126.A N PHE 122.A O no hydrogen 3.495 N/A VAL 127.A N ILE 123.A O no hydrogen 3.158 N/A GLU 128.A N ALA 124.A O no hydrogen 3.066 N/A ARG 129.A N GLY 125.A O no hydrogen 3.084 N/A ARG 129.A NH2 VAL 81.A O no hydrogen 3.343 N/A ARG 130.A N VAL 127.A O no hydrogen 3.210 N/A PHE 131.A N MET 126.A O no hydrogen 3.197 N/A GLY 132.A N GLY 174.A O no hydrogen 3.170 N/A ARG 133.A N ASP 82.A O no hydrogen 3.005 N/A ARG 133.A NE LEU 217.A O no hydrogen 3.068 N/A ARG 133.A NE SER 219.A O no hydrogen 3.263 N/A ARG 133.A NH1 GLY 132.A O no hydrogen 2.971 N/A ARG 133.A NH2 SER 219.A O no hydrogen 3.111 N/A ILE 134.A N THR 176.A O no hydrogen 3.123 N/A VAL 135.A N LEU 84.A O no hydrogen 2.898 N/A ASN 136.A N ASN 178.A O no hydrogen 2.947 N/A ILE 137.A N ASN 86.A O no hydrogen 3.008 N/A GLY 138.A N VAL 180.A O no hydrogen 2.869 N/A VAL 140.A N PRO 182.A O no hydrogen 3.083 N/A ASN 141.A N SER 139.A OG no hydrogen 2.860 N/A ASN 141.A ND2 GLN 149.A OE1 no hydrogen 2.659 N/A ASN 141.A ND2 TYR 184.A OH no hydrogen 3.415 N/A GLY 142.A N SER 139.A O no hydrogen 2.519 N/A SER 143.A N SER 139.A O no hydrogen 3.416 N/A ARG 144.A N VAL 140.A O no hydrogen 3.084 N/A ARG 144.A NE ASN 141.A OD1 no hydrogen 3.040 N/A ARG 144.A NH1 GLN 198.A OE1 no hydrogen 2.856 N/A ARG 144.A NH2 ASN 141.A OD1 no hydrogen 2.987 N/A ARG 144.A NH2 GLN 198.A OE1 no hydrogen 2.851 N/A GLN 149.A N ALA 146.A O no hydrogen 2.956 N/A GLN 149.A NE2 ASP 93.A OD1 no hydrogen 2.888 N/A GLN 149.A NE2 ASP 93.A OD2 no hydrogen 3.350 N/A ASN 151.A ND2 ARG 92.A O no hydrogen 3.021 N/A ASN 151.A ND2 ASP 103.A O no hydrogen 3.199 N/A TYR 152.A N ASN 151.A OD1 no hydrogen 2.812 N/A ALA 153.A N GLN 149.A O no hydrogen 2.852 N/A SER 154.A N ALA 150.A O no hydrogen 3.354 N/A SER 154.A OG ALA 150.A O no hydrogen 2.654 N/A ALA 155.A N ASN 151.A O no hydrogen 3.015 N/A LYS 156.A N TYR 152.A O no hydrogen 2.799 N/A LYS 156.A NZ ILE 137.A O no hydrogen 2.731 N/A ALA 157.A N ALA 153.A O no hydrogen 2.736 N/A GLY 158.A N SER 154.A O no hydrogen 2.707 N/A ILE 159.A N ALA 155.A O no hydrogen 2.990 N/A ILE 159.A N LYS 156.A O no hydrogen 3.234 N/A HIS 160.A N ALA 157.A O no hydrogen 3.079 N/A HIS 160.A ND1 THR 179.A OG1 no hydrogen 2.621 N/A PHE 162.A N GLY 158.A O no hydrogen 3.237 N/A THR 163.A N ILE 159.A O no hydrogen 2.997 N/A THR 163.A OG1 ASN 136.A OD1 no hydrogen 2.975 N/A THR 163.A OG1 ILE 159.A O no hydrogen 3.263 N/A THR 163.A OG1 THR 179.A OG1 no hydrogen 2.733 N/A LYS 164.A N HIS 160.A O no hydrogen 2.838 N/A THR 165.A N GLY 161.A O no hydrogen 3.260 N/A THR 165.A OG1 GLY 161.A O no hydrogen 3.247 N/A LEU 166.A N PHE 162.A O no hydrogen 2.999 N/A ALA 167.A N THR 163.A O no hydrogen 2.808 N/A LEU 168.A N LYS 164.A O no hydrogen 2.989 N/A GLU 169.A N THR 165.A O no hydrogen 2.896 N/A THR 170.A N LEU 166.A O no hydrogen 3.112 N/A THR 170.A OG1 LEU 166.A O no hydrogen 2.607 N/A THR 170.A OG1 ALA 167.A O no hydrogen 3.486 N/A ARG 173.A N THR 170.A O no hydrogen 2.866 N/A ARG 173.A NE VAL 127.A O no hydrogen 2.944 N/A ARG 173.A NH2 VAL 127.A O no hydrogen 2.985 N/A ARG 173.A NH2 GLU 128.A O no hydrogen 3.496 N/A THR 176.A N GLY 132.A O no hydrogen 3.360 N/A VAL 177.A N THR 226.A OG1 no hydrogen 2.935 N/A ASN 178.A N ILE 134.A O no hydrogen 3.101 N/A ASN 178.A ND2 VAL 225.A O no hydrogen 2.976 N/A THR 179.A N ALA 228.A O no hydrogen 2.918 N/A THR 179.A OG1 HIS 160.A ND1 no hydrogen 2.621 N/A THR 179.A OG1 THR 163.A OG1 no hydrogen 2.733 N/A VAL 180.A N ASN 136.A O no hydrogen 2.999 N/A SER 181.A N LEU 230.A O no hydrogen 2.887 N/A SER 181.A OG ASP 229.A OD1 no hydrogen 2.597 N/A SER 181.A OG ASP 229.A OD2 no hydrogen 3.416 N/A GLY 183.A N ILE 232.A O no hydrogen 2.921 N/A ALA 186.A N GLY 205.A O no hydrogen 2.711 N/A GLU 191.A N THR 187.A O no hydrogen 3.011 N/A ALA 192.A N MET 189.A O no hydrogen 3.086 N/A GLN 198.A N ILE 195.A O no hydrogen 2.782 N/A GLN 198.A NE2 LYS 194.A O no hydrogen 3.208 N/A ILE 199.A N LEU 196.A O no hydrogen 2.817 N/A VAL 201.A N GLY 234.A O no hydrogen 3.163 N/A GLY 202.A N ILE 199.A O no hydrogen 2.890 N/A ARG 203.A NH1 LEU 204.A O no hydrogen 3.184 N/A ARG 203.A NH1 GLU 209.A OE1 no hydrogen 2.893 N/A ARG 203.A NH2 GLU 209.A OE2 no hydrogen 2.907 N/A GLY 205.A N TYR 184.A O no hydrogen 2.971 N/A ARG 206.A N GLU 209.A OE1 no hydrogen 2.775 N/A GLU 209.A N ARG 206.A O no hydrogen 2.910 N/A ALA 211.A N PRO 207.A O no hydrogen 2.921 N/A ALA 212.A N ASP 208.A O no hydrogen 3.077 N/A LEU 213.A N GLU 209.A O no hydrogen 3.123 N/A ILE 214.A N VAL 210.A O no hydrogen 3.068 N/A ALA 215.A N ALA 211.A O no hydrogen 2.884 N/A PHE 216.A N ALA 212.A O no hydrogen 2.936 N/A LEU 217.A N LEU 213.A O no hydrogen 3.077 N/A CYS 218.A N ILE 214.A O no hydrogen 2.917 N/A CYS 218.A SG ILE 214.A O no hydrogen 3.136 N/A SER 219.A N PHE 216.A O no hydrogen 2.984 N/A SER 219.A OG PHE 216.A O no hydrogen 2.724 N/A ASP 221.A N SER 219.A OG no hydrogen 3.129 N/A ALA 222.A N SER 219.A O no hydrogen 3.455 N/A VAL 225.A N ALA 222.A O no hydrogen 3.163 N/A THR 226.A OG1 VAL 177.A O no hydrogen 3.421 N/A GLY 227.A N VAL 177.A O no hydrogen 2.726 N/A ALA 228.A N ASN 178.A OD1 no hydrogen 3.138 N/A LEU 230.A N THR 179.A O no hydrogen 2.905 N/A ILE 232.A N SER 181.A O no hydrogen 3.357 N/A ASN 233.A ND2 HIS 237.A O no hydrogen 2.959 N/A GLY 235.A N ASN 233.A OD1 no hydrogen 2.942 N/A MET 236.A N ASN 233.A O no hydrogen 3.041 N/A