Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 41.A OE2 no hydrogen 3.394 N/A PHE 5.A N LEU 1.A O no hydrogen 3.181 N/A TYR 6.A N GLU 2.A O no hydrogen 3.267 N/A PHE 7.A N TYR 3.A O no hydrogen 2.749 N/A PHE 8.A N TYR 4.A O no hydrogen 2.818 N/A LYS 9.A N PHE 5.A O no hydrogen 2.900 N/A GLY 10.A N TYR 6.A O no hydrogen 3.090 N/A MET 11.A N PHE 7.A O no hydrogen 3.162 N/A TYR 12.A N PHE 8.A O no hydrogen 2.727 N/A GLU 13.A N LYS 9.A O no hydrogen 2.762 N/A PHE 14.A N GLY 10.A O no hydrogen 2.962 N/A ARG 15.A N MET 11.A O no hydrogen 3.067 N/A ARG 15.A NH1 ARG 15.A O no hydrogen 2.793 N/A ARG 16.A N TYR 12.A O no hydrogen 3.328 N/A LYS 17.A N PHE 14.A O no hydrogen 2.850 N/A LYS 17.A NZ PHE 14.A O no hydrogen 2.546 N/A LYS 17.A NZ ARG 15.A O no hydrogen 3.435 N/A GLU 18.A N GLU 13.A O no hydrogen 2.762 N/A ALA 22.A N GLU 18.A O no hydrogen 3.066 N/A ILE 23.A N LEU 19.A O no hydrogen 3.111 N/A SER 24.A N ILE 20.A O no hydrogen 2.897 N/A SER 24.A OG ILE 20.A O no hydrogen 2.547 N/A ALA 25.A N SER 21.A O no hydrogen 2.803 N/A TYR 26.A N ALA 22.A O no hydrogen 2.868 N/A ARG 27.A N ILE 23.A O no hydrogen 2.868 N/A ILE 28.A N ALA 25.A O no hydrogen 3.284 N/A ALA 29.A N ALA 25.A O no hydrogen 3.036 N/A GLU 30.A N TYR 26.A O no hydrogen 2.858 N/A SER 31.A OG ILE 28.A O no hydrogen 2.481 N/A LYS 32.A N ILE 28.A O no hydrogen 2.872 N/A LEU 33.A N GLU 30.A O no hydrogen 3.404 N/A SER 34.A OG SER 31.A O no hydrogen 2.441 N/A ILE 40.A N ASP 38.A OD1 no hydrogen 3.375 N/A ALA 43.A N GLU 39.A O no hydrogen 3.138 N/A GLU 44.A N ILE 40.A O no hydrogen 2.986 N/A PHE 45.A N GLU 41.A O no hydrogen 3.087 N/A PHE 46.A N LYS 42.A O no hydrogen 2.775 N/A PHE 47.A N ALA 43.A O no hydrogen 2.952 N/A LYS 48.A N GLU 44.A O no hydrogen 3.310 N/A VAL 49.A N PHE 45.A O no hydrogen 3.123 N/A SER 50.A N PHE 46.A O no hydrogen 2.900 N/A SER 50.A OG PHE 47.A O no hydrogen 2.702 N/A TYR 51.A N PHE 47.A O no hydrogen 3.039 N/A VAL 52.A N LYS 48.A O no hydrogen 3.133 N/A TYR 53.A N VAL 49.A O no hydrogen 3.149 N/A TYR 54.A N SER 50.A O no hydrogen 2.765 N/A TYR 55.A N TYR 51.A O no hydrogen 2.947 N/A MET 56.A N VAL 52.A O no hydrogen 3.073 N/A LYS 57.A N TYR 54.A O no hydrogen 3.281 N/A LYS 57.A NZ ASP 96.A OD1 no hydrogen 3.390 N/A LYS 57.A NZ ASP 96.A OD2 no hydrogen 2.566 N/A GLN 58.A N TYR 53.A O no hydrogen 2.916 N/A THR 59.A OG1 LYS 57.A O no hydrogen 3.530 N/A SER 62.A N GLN 58.A O no hydrogen 2.964 N/A SER 62.A OG SER 50.A O no hydrogen 2.969 N/A MET 63.A N THR 59.A O no hydrogen 3.145 N/A ASN 64.A N TYR 60.A O no hydrogen 3.190 N/A TYR 65.A N PHE 61.A O no hydrogen 3.008 N/A TYR 65.A OH GLU 30.A OE1 no hydrogen 2.954 N/A TYR 65.A OH GLU 30.A OE2 no hydrogen 2.911 N/A ALA 66.A N SER 62.A O no hydrogen 2.828 N/A ASN 67.A N MET 63.A O no hydrogen 3.109 N/A ARG 68.A N ASN 64.A O no hydrogen 3.219 N/A ALA 69.A N TYR 65.A O no hydrogen 3.289 N/A LEU 70.A N ALA 66.A O no hydrogen 2.742 N/A LYS 71.A N ASN 67.A O no hydrogen 2.750 N/A ILE 72.A N ALA 69.A O no hydrogen 3.260 N/A PHE 73.A N ALA 69.A O no hydrogen 2.903 N/A ARG 74.A N LEU 70.A O no hydrogen 3.063 N/A GLU 75.A N ILE 72.A O no hydrogen 3.306 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.774 N/A GLU 78.A N GLU 78.A OE2 no hydrogen 2.696 N/A TYR 79.A N TYR 76.A O no hydrogen 2.896 N/A GLN 82.A N GLN 82.A OE1 no hydrogen 2.863 N/A THR 83.A N TYR 79.A O no hydrogen 2.979 N/A THR 83.A OG1 TYR 79.A O no hydrogen 3.470 N/A VAL 84.A N ALA 80.A O no hydrogen 2.830 N/A ARG 85.A N VAL 81.A O no hydrogen 3.012 N/A CYS 86.A N GLN 82.A O no hydrogen 2.939 N/A CYS 86.A SG GLN 82.A O no hydrogen 3.306 N/A GLN 87.A N THR 83.A O no hydrogen 3.037 N/A PHE 88.A N VAL 84.A O no hydrogen 2.894 N/A ILE 89.A N ARG 85.A O no hydrogen 3.037 N/A VAL 90.A N CYS 86.A O no hydrogen 3.019 N/A ALA 91.A N GLN 87.A O no hydrogen 2.903 N/A GLY 92.A N PHE 88.A O no hydrogen 2.699 N/A ASN 93.A N ILE 89.A O no hydrogen 2.878 N/A ASN 93.A ND2 SER 62.A OG no hydrogen 2.566 N/A ASN 93.A ND2 ILE 89.A O no hydrogen 2.864 N/A LEU 94.A N VAL 90.A O no hydrogen 2.909 N/A ILE 95.A N ALA 91.A O no hydrogen 2.837 N/A ASP 96.A N GLY 92.A O no hydrogen 3.009 N/A SER 97.A N ASN 93.A O no hydrogen 3.128 N/A SER 97.A N LEU 94.A O no hydrogen 3.086 N/A SER 97.A OG ASN 93.A O no hydrogen 3.333 N/A LEU 98.A N ILE 95.A O no hydrogen 2.857 N/A GLU 99.A N LEU 94.A O no hydrogen 2.805 N/A ALA 103.A N GLU 99.A O no hydrogen 3.012 N/A LEU 104.A N TYR 100.A O no hydrogen 2.943 N/A GLU 105.A N GLU 101.A O no hydrogen 3.254 N/A GLN 106.A N ARG 102.A O no hydrogen 3.173 N/A PHE 107.A N ALA 103.A O no hydrogen 2.966 N/A LEU 108.A N LEU 104.A O no hydrogen 2.826 N/A LYS 109.A N GLU 105.A O no hydrogen 3.184 N/A SER 110.A N GLN 106.A O no hydrogen 3.005 N/A SER 110.A OG GLN 87.A OE1 no hydrogen 2.879 N/A SER 110.A OG GLN 106.A O no hydrogen 3.210 N/A LEU 111.A N PHE 107.A O no hydrogen 2.976 N/A GLU 112.A N LEU 108.A O no hydrogen 3.288 N/A ILE 113.A N LYS 109.A O no hydrogen 3.134 N/A SER 114.A N SER 110.A O no hydrogen 2.833 N/A SER 114.A OG SER 110.A O no hydrogen 2.783 N/A LYS 115.A N LEU 111.A O no hydrogen 2.989 N/A LYS 115.A N GLU 112.A O no hydrogen 3.123 N/A GLU 116.A N GLU 112.A O no hydrogen 2.993 N/A ASN 118.A N LYS 115.A O no hydrogen 3.072 N/A ILE 119.A N SER 114.A O no hydrogen 3.135 N/A ILE 123.A N ILE 119.A O no hydrogen 3.039 N/A ALA 124.A N GLU 120.A O no hydrogen 3.160 N/A MET 125.A N HIS 121.A O no hydrogen 2.868 N/A SER 126.A N LEU 122.A O no hydrogen 2.954 N/A SER 126.A OG LEU 122.A O no hydrogen 2.864 N/A HIS 127.A N ILE 123.A O no hydrogen 2.966 N/A HIS 127.A ND1 HIS 146.A ND1 no hydrogen 3.134 N/A MET 128.A N ALA 124.A O no hydrogen 2.900 N/A ASN 129.A N MET 125.A O no hydrogen 3.016 N/A ILE 130.A N SER 126.A O no hydrogen 2.754 N/A GLY 131.A N HIS 127.A O no hydrogen 2.843 N/A ILE 132.A N MET 128.A O no hydrogen 2.886 N/A CYS 133.A N ASN 129.A O no hydrogen 3.007 N/A CYS 133.A SG ASN 129.A O no hydrogen 3.425 N/A TYR 134.A N ILE 130.A O no hydrogen 2.970 N/A ASP 135.A N GLY 131.A O no hydrogen 2.988 N/A GLU 136.A N ILE 132.A O no hydrogen 3.169 N/A LEU 137.A N CYS 133.A O no hydrogen 2.805 N/A LYS 138.A N ASP 135.A O no hydrogen 3.059 N/A GLU 139.A N TYR 134.A O no hydrogen 2.935 N/A LYS 141.A N GLU 139.A OE1 no hydrogen 3.411 N/A LYS 142.A N GLU 139.A OE2 no hydrogen 2.652 N/A ALA 143.A N GLU 139.A O no hydrogen 3.040 N/A SER 144.A N TYR 140.A O no hydrogen 2.949 N/A SER 144.A OG TYR 140.A O no hydrogen 3.403 N/A SER 144.A OG GLU 173.A OE2 no hydrogen 2.715 N/A GLN 145.A N LYS 141.A O no hydrogen 3.171 N/A HIS 146.A N LYS 142.A O no hydrogen 3.054 N/A HIS 146.A ND1 HIS 127.A ND1 no hydrogen 3.134 N/A LEU 147.A N ALA 143.A O no hydrogen 2.971 N/A ILE 148.A N SER 144.A O no hydrogen 2.991 N/A LEU 149.A N GLN 145.A O no hydrogen 3.441 N/A ALA 150.A N HIS 146.A O no hydrogen 3.128 N/A LEU 151.A N LEU 147.A O no hydrogen 2.863 N/A GLU 152.A N ILE 148.A O no hydrogen 2.877 N/A ILE 153.A N ALA 150.A O no hydrogen 3.197 N/A PHE 154.A N ALA 150.A O no hydrogen 2.991 N/A GLU 155.A N LEU 151.A O no hydrogen 2.916 N/A SER 157.A N ILE 153.A O no hydrogen 3.100 N/A PHE 161.A N HIS 159.A ND1 no hydrogen 3.081 N/A LEU 162.A N HIS 159.A O no hydrogen 3.060 N/A THR 163.A N SER 160.A O no hydrogen 3.322 N/A THR 165.A N PHE 161.A O no hydrogen 3.080 N/A THR 165.A OG1 PHE 161.A O no hydrogen 2.694 N/A LEU 166.A N LEU 162.A O no hydrogen 3.029 N/A PHE 167.A N THR 163.A O no hydrogen 2.865 N/A THR 168.A N LYS 164.A O no hydrogen 2.931 N/A THR 168.A OG1 LYS 164.A O no hydrogen 2.698 N/A LEU 169.A N THR 165.A O no hydrogen 2.939 N/A THR 170.A N LEU 166.A O no hydrogen 2.858 N/A THR 170.A OG1 LEU 166.A O no hydrogen 2.647 N/A TYR 171.A N PHE 167.A O no hydrogen 2.919 N/A VAL 172.A N THR 168.A O no hydrogen 2.879 N/A GLU 173.A N LEU 169.A O no hydrogen 3.078 N/A ALA 174.A N THR 170.A O no hydrogen 3.021 N/A LYS 175.A N TYR 171.A O no hydrogen 2.906 N/A LYS 175.A NZ ASP 135.A OD1 no hydrogen 2.800 N/A LYS 175.A NZ ASP 135.A OD2 no hydrogen 3.348 N/A GLN 176.A N GLU 173.A O no hydrogen 3.195 N/A GLN 177.A N ALA 174.A O no hydrogen 2.801 N/A ASN 178.A N GLU 173.A O no hydrogen 2.814 N/A ASN 178.A ND2 GLU 173.A OE1 no hydrogen 3.013 N/A ALA 182.A N ASN 178.A O no hydrogen 3.016 N/A LEU 183.A N TYR 179.A O no hydrogen 3.081 N/A ILE 184.A N VAL 181.A O no hydrogen 3.281 N/A TYR 185.A N VAL 181.A O no hydrogen 3.463 N/A PHE 186.A N ALA 182.A O no hydrogen 2.739 N/A ARG 187.A N LEU 183.A O no hydrogen 3.081 N/A LYS 188.A N ILE 184.A O no hydrogen 3.247 N/A GLY 189.A N TYR 185.A O no hydrogen 2.956 N/A ARG 190.A N PHE 186.A O no hydrogen 2.897 N/A ARG 190.A NH2 GLU 209.A OE1 no hydrogen 3.557 N/A PHE 191.A N ARG 187.A O no hydrogen 3.212 N/A ILE 192.A N LYS 188.A O no hydrogen 3.096 N/A ALA 193.A N GLY 189.A O no hydrogen 2.765 N/A ASP 194.A N ARG 190.A O no hydrogen 3.209 N/A LYS 195.A N PHE 191.A O no hydrogen 3.033 N/A SER 196.A N ILE 192.A O no hydrogen 3.202 N/A SER 196.A OG ILE 192.A O no hydrogen 2.785 N/A SER 196.A OG ALA 193.A O no hydrogen 3.132 N/A ASP 197.A N ASP 194.A O no hydrogen 3.157 N/A ASP 198.A N ALA 193.A O no hydrogen 2.763 N/A LYS 199.A N ASP 197.A O no hydrogen 2.957 N/A TYR 201.A N ASP 198.A OD1 no hydrogen 3.395 N/A SER 202.A N ASP 198.A O no hydrogen 3.013 N/A ALA 203.A N LYS 199.A O no hydrogen 3.074 N/A LYS 204.A N GLU 200.A O no hydrogen 3.019 N/A LYS 204.A NZ GLU 200.A OE1 no hydrogen 2.377 N/A LYS 204.A NZ ASP 236.A OD2 no hydrogen 2.703 N/A PHE 205.A N TYR 201.A O no hydrogen 2.634 N/A LYS 206.A N SER 202.A O no hydrogen 3.156 N/A LYS 206.A NZ SER 202.A O no hydrogen 2.752 N/A ILE 207.A N ALA 203.A O no hydrogen 3.243 N/A ILE 207.A N LYS 204.A O no hydrogen 3.033 N/A LEU 208.A N LYS 204.A O no hydrogen 3.324 N/A GLU 209.A N PHE 205.A O no hydrogen 2.799 N/A GLY 210.A N LYS 206.A O no hydrogen 2.990 N/A LEU 211.A N ILE 207.A O no hydrogen 2.911 N/A PHE 212.A N LEU 208.A O no hydrogen 2.607 N/A PHE 213.A N GLU 209.A O no hydrogen 2.907 N/A SER 214.A OG GLU 209.A O no hydrogen 2.677 N/A GLU 217.A N SER 214.A OG no hydrogen 3.347 N/A GLN 219.A N GLN 219.A OE1 no hydrogen 2.609 N/A LEU 220.A N GLU 217.A O no hydrogen 3.125 N/A LYS 222.A N THR 218.A O no hydrogen 3.210 N/A ASN 223.A N GLN 219.A O no hydrogen 2.764 N/A ALA 224.A N LEU 220.A O no hydrogen 3.029 N/A PHE 225.A N ILE 221.A O no hydrogen 3.035 N/A SER 226.A N LYS 222.A O no hydrogen 2.867 N/A SER 226.A OG LYS 222.A O no hydrogen 3.490 N/A TYR 227.A N ASN 223.A O no hydrogen 2.957 N/A LEU 228.A N ALA 224.A O no hydrogen 2.990 N/A ALA 229.A N PHE 225.A O no hydrogen 2.846 N/A SER 230.A N SER 226.A O no hydrogen 2.908 N/A SER 230.A OG SER 226.A O no hydrogen 3.525 N/A SER 230.A OG TYR 227.A O no hydrogen 2.650 N/A ARG 231.A N TYR 227.A O no hydrogen 3.157 N/A ARG 231.A N LEU 228.A O no hydrogen 2.987 N/A LYS 232.A N ALA 229.A O no hydrogen 2.990 N/A MET 233.A N LEU 228.A O no hydrogen 3.110 N/A VAL 237.A N MET 233.A O no hydrogen 3.049 N/A GLU 238.A N PHE 234.A O no hydrogen 2.720 N/A ASN 239.A N ALA 235.A O no hydrogen 2.849 N/A PHE 240.A N ASP 236.A O no hydrogen 2.929 N/A SER 241.A N VAL 237.A O no hydrogen 3.022 N/A SER 241.A OG VAL 237.A O no hydrogen 2.605 N/A SER 241.A OG GLU 238.A O no hydrogen 3.136 N/A ILE 242.A N GLU 238.A O no hydrogen 3.273 N/A GLU 243.A N ASN 239.A O no hydrogen 3.260 N/A VAL 244.A N PHE 240.A O no hydrogen 2.891 N/A ALA 245.A N SER 241.A O no hydrogen 2.802 N/A ASP 246.A N ILE 242.A O no hydrogen 2.711 N/A TYR 247.A N GLU 243.A O no hydrogen 3.047 N/A PHE 248.A N VAL 244.A O no hydrogen 3.084 N/A HIS 249.A N ALA 245.A O no hydrogen 2.984 N/A GLU 250.A N ASP 246.A O no hydrogen 2.886 N/A GLN 251.A N TYR 247.A O no hydrogen 3.151 N/A GLY 252.A N HIS 249.A O no hydrogen 2.986 N/A ASN 253.A N PHE 248.A O no hydrogen 2.871 N/A SER 257.A N ASN 253.A O no hydrogen 2.955 N/A SER 257.A OG ALA 245.A O no hydrogen 2.749 N/A ASN 258.A N LEU 254.A O no hydrogen 2.778 N/A GLU 259.A N MET 255.A O no hydrogen 3.082 N/A TYR 260.A N LEU 256.A O no hydrogen 3.192 N/A TYR 261.A N SER 257.A O no hydrogen 3.043 N/A TYR 261.A OH ASP 246.A OD1 no hydrogen 2.651 N/A ARG 262.A N ASN 258.A O no hydrogen 2.881 N/A MET 263.A N GLU 259.A O no hydrogen 3.129 N/A SER 264.A N TYR 260.A O no hydrogen 3.062 N/A SER 264.A OG TYR 261.A O no hydrogen 2.467 N/A ILE 265.A N TYR 261.A O no hydrogen 3.069 N/A GLU 266.A N ARG 262.A O no hydrogen 3.163 N/A ALA 267.A N MET 263.A O no hydrogen 2.918 N/A ARG 268.A N SER 264.A O no hydrogen 2.992 N/A ARG 269.A N ILE 265.A O no hydrogen 2.917 N/A LYS 270.A N GLU 266.A O no hydrogen 2.942 N/A ILE 271.A N ALA 267.A O no hydrogen 2.989 N/A LYS 272.A N ARG 268.A O no hydrogen 3.092 N/A LYS 273.A N ARG 269.A O no hydrogen 2.995 N/A GLY 274.A N ILE 271.A O no hydrogen 2.988 N/A