Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.198 HB2 :: 3.999 HB3 :: 3.999 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) 1.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.408 HB :: 4.175 HG21 :: 1.218 HG22 :: 1.218 HG23 :: 1.218 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.C3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.686 HA :: 4.915 HB2 :: 3.234 HB3 :: 2.876 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.C4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.183 HA :: 4.915 HB2 :: 3.234 HB3 :: 2.876 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.G5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.305 HA2 :: 4.487 HA3 :: 3.639 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Y6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.478 HA :: 4.670 HB2 :: 2.980 HB3 :: 2.980 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 6.839 HE2 :: 6.839 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) 1.R7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.700 HA :: 4.729 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 1.665 HG3 :: 1.665 HD2 :: 3.831 HD3 :: 3.831 HH11 :: 7.792 HH12 :: 7.792 HH21 :: 7.322 HH22 :: 7.649 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) 1.M8 Overall: Anomalous Typing: Indeterminable SRO: Suspicious C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 4.453(A) HA :: 1.896(S) HB2 :: 1.896 HB3 :: 2.386 HG2 :: 2.386 HG3 :: 2.103 HE1 :: 2.103 HE2 :: 2.103 HE3 :: 8.743(S) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) SRO Rule Breaks>> (HA > HB3 : 0.9976) (HA > HG2 : 0.9982) (HA > HG3 : 0.9991) 1.C9 Overall: Anomalous Typing: Indeterminable SRO: Suspicious C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 4.791(S) HA :: 3.397 HB2 :: 2.837 HB3 :: 8.734(A) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) SRO Rule Breaks>> (H > HB3 : 0.9986) 1.V10 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 4.728(S) HA :: 2.155(S) HB :: 0.947 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.794 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 4.526(A) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.P11 Overall: Anomalous Typing: Indeterminable SRO: Suspicious C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> HA :: 2.137(S) HB2 :: 1.847 HB3 :: 1.983 HG2 :: 1.983 HG3 :: 3.883(S) HD2 :: 3.633 HD3 :: 8.865(A) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (HA > HG3 : 1.0000) (HD2 > HG3 : 0.9949) 1.C12 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> H :: 4.509(A) HA :: 3.190 HB2 :: 2.883 HB3 :: 4.198 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.NH213 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 7 #Clerical: 0 #Suspicious: 0 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 9 #Suspicious: 3 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 60 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 5 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M8 H = 4.453(A), Expected = 8.26, Std = 0.6000, ChiSquare = 2.2243e-10 1.M8 HA = 1.896(S), Expected = 4.41, Std = 0.4800, ChiSquare = 1.6277e-07 1.M8 HE3 = 8.743(S), Expected = 1.89, Std = 0.4600, ChiSquare = 3.4048e-50 1.M8 SRO Rule Break>> HA > HB3 : 0.997596153846154 1.M8 SRO Rule Break>> HA > HG2 : 0.998212689901698 1.M8 SRO Rule Break>> HA > HG3 : 0.999074074074074 1.C9 H = 4.791(S), Expected = 8.39, Std = 0.6700, ChiSquare = 7.8023e-08 1.C9 HB3 = 8.734(A), Expected = 2.89, Std = 0.4600, ChiSquare = 5.5934e-37 1.C9 SRO Rule Break>> H > HB3 : 0.99856184084372 1.V10 H = 4.728(S), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0583e-07 1.V10 HA = 2.155(S), Expected = 4.19, Std = 0.5800, ChiSquare = 4.5044e-04 1.V10 HG23 = 4.526(A), Expected = 0.80, Std = 0.2800, ChiSquare = 2.1037e-40 1.P11 HA = 2.137(S), Expected = 4.40, Std = 0.3300, ChiSquare = 7.0039e-12 1.P11 HG3 = 3.883(S), Expected = 1.90, Std = 0.3300, ChiSquare = 1.8657e-09 1.P11 HD3 = 8.865(A), Expected = 3.61, Std = 0.3900, ChiSquare = 2.2140e-41 1.P11 SRO Rule Break>> HA > HG3 : 1 1.P11 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.C12 H = 4.509(A), Expected = 8.39, Std = 0.6700, ChiSquare = 6.9331e-09