Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall Status: Residue type G not supported. 1.G2 Overall Status: Residue type G not supported. 1.G3 Overall Status: Residue type G not supported. 1.C4 Overall Status: Residue type C not supported. 1.A5 Overall Status: Residue type A not supported. 1.G6 Overall Status: Residue type G not supported. 1.A7 Overall Status: Residue type A not supported. 1.U8 Overall Status: Residue type U not supported. 1.U9 Overall Status: Residue type U not supported. 1.G10 Overall Status: Residue type G not supported. 1.A11 Overall Status: Residue type A not supported. 1.G12 Overall Status: Residue type G not supported. 1.C13 Overall Status: Residue type C not supported. 1.C14 Overall Status: Residue type C not supported. 1.U15 Overall Status: Residue type U not supported. 1.G16 Overall Status: Residue type G not supported. 1.G17 Overall Status: Residue type G not supported. 1.G18 Overall Status: Residue type G not supported. 1.A19 Overall Status: Residue type A not supported. 1.G20 Overall Status: Residue type G not supported. 1.C21 Overall Status: Residue type C not supported. 1.U22 Overall Status: Residue type U not supported. 1.C23 Overall Status: Residue type C not supported. 1.U24 Overall Status: Residue type U not supported. 1.C25 Overall Status: Residue type C not supported. 1.U26 Overall Status: Residue type U not supported. 1.G27 Overall Status: Residue type G not supported. 1.C28 Overall Status: Residue type C not supported. 1.C29 Overall Status: Residue type C not supported. 1.C30 Overall Status: Residue type C not supported. 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.3285 HA2 :: 3.7326 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.I2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.4007 HA :: 4.05 HB :: 1.618 HG12 :: 1.2548 HG13 :: 1.4926 HG21 :: 0.9896 HG22 :: 0.9896 HG23 :: 0.9896 HD11 :: 0.6286 HD12 :: 0.6286 HD13 :: 0.6286 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 2.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.2652 HA :: 4.3582 HB2 :: 3.6898 HB3 :: 3.6957 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 2.Y4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.2595 HA :: 4.3705 HB2 :: 2.8818 HB3 :: 2.8958 HD1 :: 6.9889 HD2 :: 6.9841 HE1 :: 6.6761 HE2 :: 6.6825 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 2.G5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.3285 HA2 :: 3.8066 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 C 0.39 K 0.1 G 0.06 C Shift Assignments>> CA :: 55.5994 CB :: 32.7882 CG :: 27.0524 CD :: 43.2233 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0344 HA :: 4.1075 HB2 :: 1.6563 HB3 :: 1.6601 HG2 :: 1.4463 HG3 :: 1.4414 HD2 :: 3.0037 HD3 :: 3.0003 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> CB :: 30.8334 CG :: 24.8227 CD :: 29.0923 CE :: 41.7613 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2593 HB2 :: 1.6056 HB3 :: 1.6015 HG2 :: 1.3304 HG3 :: 1.258 HD2 :: 1.5171 HD3 :: 1.5404 HE2 :: 2.8477 HE3 :: 2.8466 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 2.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.45 C 0.37 R 0.15 C Shift Assignments>> CA :: 55.9698 CB :: 30.8115 CG :: 24.6864 CD :: 28.9514 CE :: 41.7718 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.281 HA :: 4.0878 HG2 :: 1.2606 HG3 :: 1.2368 HD2 :: 1.5191 HD3 :: 1.5013 HE2 :: 2.8212 HE3 :: 2.8087 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 2.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 C 0.39 K 0.11 G 0.05 C Shift Assignments>> CA :: 55.9986 CB :: 32.7002 CG :: 27.1539 CD :: 43.202 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2657 HA :: 4.0696 HB2 :: 1.6041 HB3 :: 1.5842 HG2 :: 1.4334 HG3 :: 1.4476 HD2 :: 3.0062 HD3 :: 2.9838 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 C 0.39 K 0.11 G 0.05 C Shift Assignments>> CA :: 55.9571 CB :: 32.7002 CG :: 27.1539 CD :: 43.202 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2713 HA :: 4.0848 HB2 :: 1.638 HB3 :: 1.628 HG2 :: 1.4374 HG3 :: 1.4204 HD2 :: 3.0472 HD3 :: 3.0395 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.35 K 0.31 C 0.28 R 0.03 C Shift Assignments>> CA :: 56.107 CB :: 29.4525 CG :: 33.7877 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2851 HA :: 4.597 HB2 :: 1.8927 HB3 :: 1.8567 HG2 :: 2.2377 HG3 :: 2.2177 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 2.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.49 C 0.37 K 0.07 G 0.05 C Shift Assignments>> CA :: 55.9731 CB :: 30.7543 CG :: 27.226 CD :: 43.2027 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2865 HA :: 4.1303 HB2 :: 1.5916 HB3 :: 1.5684 HG2 :: 1.4114 HG3 :: 1.3936 HD2 :: 3.0408 HD3 :: 3.0284 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.48 C 0.39 K 0.06 G 0.04 C Shift Assignments>> CA :: 56.3345 CB :: 30.5969 CG :: 27.1045 CD :: 43.1571 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2879 HA :: 4.1179 HB2 :: 1.6867 HB3 :: 1.6725 HG2 :: 1.5135 HG3 :: 1.4808 HD2 :: 2.9767 HD3 :: 2.9659 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.5 C 0.37 K 0.06 G 0.06 C Shift Assignments>> CA :: 55.8184 CB :: 30.7723 CG :: 27.1141 CD :: 43.265 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2796 HA :: 4.1411 HB2 :: 1.678 HB3 :: 1.6643 HG2 :: 1.468 HG3 :: 1.4973 HD2 :: 3.025 HD3 :: 3.02 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.97 C 0.01 C Shift Assignments>> CA :: 52.5506 CB :: 19.1412 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2988 HA :: 4.111 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.H16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.4608 HA :: 4.5291 HB2 :: 3.0912 HB3 :: 3.0456 HD2 :: 7.2482 HE1 :: 8.1319 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 2.Q17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.1346 HA :: 4.0455 HB2 :: 1.7937 HB3 :: 1.8746 HG3 :: 2.1793 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) ########################################################################### Overall Results: #Consistent: 17 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 10 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 17 #Suspicious: 0 C Shift Results: #Consistent: 38 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0