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All-Atom
Contacts		 Clashscore, all atoms:35.34 5th percentile* (N=773, 1.65Å - 2.15Å)
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.
Protein
Geometry		 Rotamer outliers14.29% Goal: <1%
Ramachandran outliers0.00% Goal: <0.2%
Ramachandran favored96.74% Goal: >98%
Cβ deviations >0.25Å19 Goal: 0
MolProbity score3.115th percentile* (N=12147, 1.65Å - 2.15Å)
Residues with bad bonds:0.53% Goal: <5%
Residues with bad angles:16.04% Goal: <5%
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst.

#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 1 VAL32.291.16Å
CG2 with A 100 THR HG22 		-28.9% (t)
chi angles: 186.3		0.202Å--
A 2 GLY29.89-Favored (2.71%)
Glycine / -83.4,-123.1		----
A 3 SER28.23-Favored (42.36%)
General case / -73.8,147.9		20.1% (m)
chi angles: 305.7		0.095Å-1 OUTLIER(S)
worst is N-CA-C: 4.887 σ
A 4 LEU24.930.928Å
HD23 with A 131 LEU CD1 		Favored (41.3%)
General case / -109.5,115.0		14.7% (tp)
chi angles: 188.9,78.2		0.22Å--
A 5 ASN22.27-Favored (48.58%)
General case / -137.0,147.8		0%
chi angles: 336.9,253		0.051Å--
A 6 CYS20.94-Favored (26.52%)
General case / -109.9,153.2		64.7% (m)
chi angles: 302.5		0.139Å--
A 7 ILE17.840.421Å
HG13 with A 134 PHE HB2 		Favored (18.49%)
General case / -145.6,132.1		4.8% (tt)
chi angles: 197.6,187.7		0.413Å--
A 8 VAL19.060.505Å
HG21 with A 148 PHE CD1 		Favored (29.61%)
General case / -156.0,157.3		7.9% (p)
chi angles: 59.4		0.173Å--
A 9 ALA19.02-Favored (39.33%)
General case / -127.3,118.7		-0.085Å--
A 10 VAL18.09-Favored (49.05%)
General case / -123.6,145.3		0%
chi angles: 252.5		0.232Å-1 OUTLIER(S)
worst is C-N-CA: 5.807 σ
A 11 SER19.06-Favored (14.64%)
General case / -93.0,163.0		86% (p)
chi angles: 61.3		0.066Å--
A 12 GLN27.79-Favored (4.33%)
General case / -47.0,-30.2		52% (tt0)
chi angles: 188.3,173.7,330.6		0.078Å--
A 13 ASN24.86-Favored (9.92%)
General case / -91.4,17.5		24.9% (p-10)
chi angles: 62,323.6		0.23Å--
A 14 MET27.960.722Å
O with A 147 PHE HD2 		Favored (10.86%)
General case / 59.7,47.9		0.4%
chi angles: 234.4,55.5,200.9		0.082Å--
A 15 GLY22.91-Favored (7.82%)
Glycine / -128.2,133.8		----
A 16 ILE19.410.533Å
O with 187 NDP H2N 		Favored (12.47%)
General case / -110.6,-16.9		17.2% (pt)
chi angles: 65.7,184.3		0.05Å--
A 17 GLY16.43-Favored (26.46%)
Glycine / -152.4,158.4		---1 OUTLIER(S)
worst is O-C-N: -4.047 σ
A 18 LYS20.24-Favored (6.42%)
General case / -146.2,115.8		0%
chi angles: 213.1,218.4,343.1,219.3		0.307Å--
A 19 ASN21.37-Favored (8.66%)
General case / 47.1,52.9		73.1% (m-20)
chi angles: 279.2,331.5		0.209Å--
A 20 GLY21.29-Favored (56.77%)
Glycine / 78.4,-7.2		----
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 21 ASP28.75-Favored (2.09%)
General case / -129.8,-171.3		8% (t0)
chi angles: 211.5,160.1		0.115Å-1 OUTLIER(S)
worst is CA-C-N: 5.421 σ
A 22 LEU20.710.52Å
HD11 with 188 MTX H7 		Favored (75.63%)
Pre-proline / -79.9,155.7		15% (mt)
chi angles: 293.4,153.6		0.119Å--
A 23 PRO21.410.43Å
HD3 with A 22 LEU HA 		Favored (36.14%)
Proline / -70.9,-20.0		48.2% (Cg_exo)
chi angles: 337.1		0.166Å--
A 24 TRP21.860.616Å
HB2 with A 25 PRO HD2 		Favored (34.73%)
Pre-proline / -111.0,157.3		31.3% (p90)
chi angles: 51.3,82.9		0.149Å--
A 25 PRO27.170.616Å
HD2 with A 24 TRP HB2 		Favored (27.12%)
Proline / -55.7,155.6		32.1% (Cg_exo)
chi angles: 341.2		0.073Å--
A 26 PRO30.14-Favored (14.48%)
Proline / -72.7,128.6		1.4% (Cg_endo)
chi angles: 2.8		0.246Å--
A 27 LEU30.68-Favored (26.36%)
General case / -104.3,109.3		3.5% (mt)
chi angles: 325.2,162.7		0.156Å-1 OUTLIER(S)
worst is N-CA-C: -4.322 σ
A 28 ARG41.810.547Å
O with A 32 ARG HG3 		Favored (65.26%)
General case / -70.0,-17.1		1.1% (mtt180)
chi angles: 280.9,133.8,208.2,210.9		0.058Å--
A 29 ASN30.6-Favored (23.02%)
General case / -88.0,-25.9		32.7% (m-20)
chi angles: 271.5,319.5		0.123Å--
A 30 GLU25.32-Favored (71.76%)
General case / -67.3,-48.6		0%
chi angles: 199.2,315,100.8		0.086Å-1 OUTLIER(S)
worst is CA-C-N: -4.471 σ
A 31 PHE23.06-Favored (93.5%)
General case / -64.7,-38.6		14.3% (m-85)
chi angles: 275.6,123		0.123Å--
A 32 ARG30.460.547Å
HG3 with A 28 ARG O 		Favored (51.82%)
General case / -52.5,-52.5		9.6% (mtt180)
chi angles: 279.6,220.6,194.8,153.2		0.11Å--
A 33 TYR18.99-Favored (86.18%)
General case / -61.7,-47.7		64.3% (t80)
chi angles: 169.3,75.9		0.182Å-1 OUTLIER(S)
worst is C-N-CA: 4.458 σ
A 34 PHE20.38-Favored (48.79%)
General case / -51.6,-51.7		23.4% (t80)
chi angles: 163.2,87		0.156Å--
A 35 GLN25.43-Favored (84.22%)
General case / -66.8,-36.2		32.8% (tt0)
chi angles: 164.7,192.6,59		0.038Å--
A 36 ARG30.070.716Å
NH1 with A 36 ARG HG2 		Favored (71.81%)
General case / -68.6,-47.3		5.4% (ttp85)
chi angles: 174.7,154.8,93.5,54.1		0.201Å--
A 37 MET28-Favored (90.79%)
General case / -63.9,-45.6		99.3% (mmm)
chi angles: 292.4,300.7,286.5		0.071Å--
A 38 THR24.42-Favored (41.96%)
General case / -79.6,-32.5		36.5% (p)
chi angles: 68.3		0.3Å--
A 39 THR28.40.508Å
O with A 39 THR HG22 		Favored (23.82%)
General case / -84.5,-32.8		51.7% (m)
chi angles: 295.5		0.174Å--
A 40 THR30.35-Favored (31.58%)
General case / -71.4,126.6		88.3% (m)
chi angles: 302		0.229Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 41 SER35.89-Favored (61.89%)
General case / -112.3,126.3		20.2% (t)
chi angles: 188.6		0.067Å--
A 42 SER40.09-Favored (15.53%)
General case / -75.1,0.1		88.6% (p)
chi angles: 65.6		0.3Å--
A 43 VAL40.831.135Å
CG1 with A 46 LYS HD2 		Favored (26.65%)
General case / -134.8,120.9		51.8% (t)
chi angles: 168.9		0.083Å--
A 44 GLU45.1-Favored (49.06%)
General case / -58.7,134.4		0.4%
chi angles: 139.6,91,32.1		0.147Å--
A 45 GLY38.39-Favored (58.27%)
Glycine / 76.8,-4.7		----
A 46 LYS35.161.135Å
HD2 with A 43 VAL CG1 		Favored (24.14%)
General case / -107.9,154.5		14.9% (mttt)
chi angles: 267.5,151,175.1,220.1		0.193Å--
A 47 GLN32.360.581Å
O with A 109 VAL HA 		Favored (30.05%)
General case / -124.6,162.2		27.8% (mt-30)
chi angles: 272.4,196.7,354.6		0.137Å-1 OUTLIER(S)
worst is O-C-N: 4.349 σ
A 48 ASN27.69-Favored (21.54%)
General case / -94.1,148.8		97.3% (m-20)
chi angles: 290.8,335.7		0.096Å--
A 49 LEU24.840.566Å
HD23 with A 112 VAL HB 		Favored (56.7%)
General case / -107.1,133.6		19.3% (tp)
chi angles: 171.3,75.4		0.057Å--
A 50 VAL21.010.696Å
HG21 with A 67 LEU HD12 		Favored (63.15%)
General case / -115.3,129.0		0.9%
chi angles: 342.1		0.315Å--
A 51 ILE18.01-Favored (59.31%)
General case / -114.4,123.0		43.3% (mt)
chi angles: 294.4,183.9		0.142Å--
A 52 MET19.190.663Å
HE2 with A 50 VAL HG23 		Favored (39.81%)
General case / -141.4,143.4		3.3% (ptp)
chi angles: 86.2,209.4,66.6		0.033Å--
A 53 GLY19.05-Favored (45.22%)
Glycine / -72.3,174.1		----
A 54 LYS18.95-Favored (72.19%)
General case / -68.6,-30.6		0.7%
chi angles: 148.5,183.7,114.7,200		0.118Å--
A 55 LYS20.570.522Å
NZ with 194 HOH O 		Favored (55.5%)
General case / -76.6,-21.4		19.3% (tttt)
chi angles: 192.1,209.6,204.4,204.1		0.22Å--
A 56 THR19.54-Favored (31.3%)
General case / -75.2,-48.5		89.8% (m)
chi angles: 297.8		0.145Å--
A 57 TRP20.420.551Å
O with A 65 ARG HD2 		Favored (62.68%)
General case / -52.0,-42.0		16.3% (t-105)
chi angles: 165.4,272		0.185Å--
A 58 PHE24.67-Favored (56.01%)
General case / -77.3,-11.8		44.3% (m-85)
chi angles: 283.1,112.6		0.258Å--
A 59 SER27.55-Favored (30.83%)
General case / -95.1,-9.2		12.9% (p)
chi angles: 47.9		0.112Å--
A 60 ILE25.920.525Å
O with A 65 ARG HD3 		Favored (68.55%)
Pre-proline / -83.9,133.8		6.4% (mt)
chi angles: 305.1,141.5		0.143Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 61 PRO26.29-Favored (51.24%)
Proline / -54.0,133.9		6.2% (Cg_exo)
chi angles: 357.3		0.161Å--
A 62 GLU32.5-Favored (2.01%)
General case / -38.4,-50.1		6.7% (tt0)
chi angles: 202.6,147.6,155.6		0.107Å--
A 63 LYS33.86-Favored (69.35%)
General case / -60.5,-28.3		0%
chi angles: 76.8,109.9,132.7,193.5		0.16Å--
A 64 ASN29.31-Favored (33.92%)
General case / -99.7,9.7		81.3% (m-20)
chi angles: 280.8,338.1		0.155Å--
A 65 ARG27.690.551Å
HD2 with A 57 TRP O 		Favored (37.04%)
Pre-proline / -108.2,125.9		7.1% (mtp180)
chi angles: 267.2,173.3,27.4,204.6		0.063Å-1 OUTLIER(S)
worst is C-N-CA: 4.299 σ
A 66 PRO22.860.419Å
HB2 with A 72 ASN CG 		Favored (46.15%)
Proline / -76.1,155.2		66.5% (Cg_endo)
chi angles: 33.8		0.123Å--
A 67 LEU19.550.696Å
HD12 with A 50 VAL HG21 		Favored (34.14%)
General case / -54.5,132.6		85.8% (mt)
chi angles: 302,178.3		0.145Å-1 OUTLIER(S)
worst is CA-C-O: -4.227 σ
A 68 LYS27.29-Favored (30.39%)
General case / -84.3,143.9		11.5% (pttt)
chi angles: 79.3,202.8,151.5,197.4		0.202Å-1 OUTLIER(S)
worst is O-C-N: 7.022 σ
A 69 GLY21.48-Favored (88.91%)
Glycine / 83.8,1.3		----
A 70 ARG19.960.53Å
HH22 with 188 MTX CT 		Favored (44.71%)
General case / -116.7,143.9		47.1% (mtm180)
chi angles: 280.1,151.3,287,169.9		0.167Å--
A 71 ILE20.180.408Å
HG13 with A 47 GLN OE1 		Favored (26.71%)
General case / -85.7,117.4		10.1% (mt)
chi angles: 287,145.8		0.089Å-1 OUTLIER(S)
worst is O-C-N: 4.402 σ
A 72 ASN17.120.63Å
HD22 with A 72 ASN N 		Favored (37.44%)
General case / -91.2,121.5		1.1% (m-80)
chi angles: 293.8,227.2		0.111Å--
A 73 LEU18.520.819Å
HD23 with A 73 LEU C 		Favored (63.94%)
General case / -121.0,129.6		6.2% (tt)
chi angles: 185.6,167.3		0.084Å--
A 74 VAL20.310.619Å
N with A 73 LEU HD23 		Favored (19.77%)
General case / -98.0,152.9		5.9% (t)
chi angles: 194.1		0.228Å--
A 75 LEU23.33-Favored (60.54%)
General case / -116.9,133.7		21.5% (mt)
chi angles: 280.8,182.2		0.098Å--
A 76 SER27.64-Allowed (0.55%)
General case / -179.6,142.8		8.4% (t)
chi angles: 163.1		0.122Å--
A 77 ARG35.55-Favored (16.66%)
General case / -98.9,-18.3		92.4% (mtt180)
chi angles: 304.6,177,165.3,185.1		0.274Å--
A 78 GLU34.15-Favored (6.33%)
General case / -80.2,-55.4		83.1% (mt-10)
chi angles: 294.9,189.4,154.9		0.076Å--
A 79 LEU27.90.452Å
HB2 with A 89 LEU HD21 		Favored (33.77%)
General case / -59.8,145.4		92.5% (mt)
chi angles: 296,178.6		0.132Å--
A 80 LYS34-Favored (13.76%)
General case / -92.6,-35.8		1.3% (mmtp)
chi angles: 289,323.6,208.4,106.2		0.257Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 81 GLU29.380.539Å
C with A 89 LEU HD23 		Favored (67.75%)
Pre-proline / -132.1,156.6		12.8% (pt-20)
chi angles: 77.2,176.1,121		0.104Å--
A 82 PRO26.53-Favored (72.9%)
Proline / -55.7,140.1		24.3% (Cg_exo)
chi angles: 342.8		0.103Å--
A 83 PRO27.04-Favored (52.56%)
Proline / -58.3,153.2		3.6% (Cg_endo)
chi angles: 6.5		0.05Å--
A 84 GLN33.53-Favored (22.49%)
General case / -52.1,130.0		1.9% (tt0)
chi angles: 145.6,161.3,70.2		0.073Å--
A 85 GLY26.43-Favored (34.21%)
Glycine / 100.2,-24.2		----
A 86 ALA26.35-Favored (27.93%)
General case / -75.7,160.4		-0.161Å--
A 87 HIS24.45-Favored (7.59%)
General case / -106.4,-32.2		25.8% (m80)
chi angles: 310.3,112.3		0.228Å-1 OUTLIER(S)
worst is CA-C-O: -4.488 σ
A 88 PHE25.65-Favored (38.15%)
General case / -143.3,158.5		94.7% (m-85)
chi angles: 292.1,95.5		0.143Å-1 OUTLIER(S)
worst is O-C-N: 5.551 σ
A 89 LEU25.320.539Å
HD23 with A 81 GLU C 		Favored (46.04%)
General case / -135.8,138.1		0.3%
chi angles: 175.2,24.6		0.036Å--
A 90 SER25.690.41Å
N with A 89 LEU HD12 		Favored (51.17%)
General case / -138.0,155.3		5.3% (m)
chi angles: 314.3		0.134Å--
A 91 ARG39.030.717Å
HB3 with 221 HOH O 		Favored (38.56%)
General case / -95.8,-4.1		0%
chi angles: 60.4,105.8,257.3,197.5		0.066Å--
A 92 SER28.760.45Å
HB3 with A 91 ARG HE 		Favored (30.09%)
General case / -157.7,160.2		77.6% (p)
chi angles: 70.3		0.013Å--
A 93 LEU30.30.883Å
O with A 97 LEU HG 		Favored (65.15%)
General case / -72.3,-27.2		2.3% (tp)
chi angles: 169.8,95.8		0.091Å--
A 94 ASP33.180.796Å
O with A 98 LYS HG3 		Favored (65.5%)
General case / -74.9,-35.9		61.7% (m-20)
chi angles: 280.7,153.6		0.241Å--
A 95 ASP33.660.419Å
OD2 with A 91 ARG NE 		Favored (87.49%)
General case / -67.5,-39.8		81.3% (m-20)
chi angles: 282.6,158.9		0.076Å--
A 96 ALA32.07-Favored (97.47%)
General case / -61.9,-41.2		-0.227Å--
A 97 LEU33.060.883Å
HG with A 93 LEU O 		Favored (73.57%)
General case / -71.4,-35.4		16.5% (mt)
chi angles: 316.6,179.4		0.059Å--
A 98 LYS39.290.796Å
HG3 with A 94 ASP O 		Favored (99.44%)
General case / -63.3,-40.9		22.8% (mttp)
chi angles: 311.5,173.2,164.8,96.6		0.131Å--
A 99 LEU39.521.025Å
HD22 with A 105 LEU HD12 		Favored (23.25%)
General case / -54.6,-24.3		0.8%
chi angles: 204.4,189.8		0.262Å--
A 100 THR43.531.16Å
HG22 with A 1 VAL CG2 		Favored (66.16%)
General case / -72.2,-28.6		1.5% (m)
chi angles: 324.5		0.096Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 101 GLU48.120.411Å
HB2 with A 98 LYS O 		Favored (46.54%)
General case / -86.0,-12.1		73.7% (mm-40)
chi angles: 302.3,302.4,148.7		0.082Å--
A 102 GLN48.610.724Å
HG2 with A 99 LEU HA 		Favored (88.85%)
Pre-proline / -76.8,144.7		55.3% (mm-40)
chi angles: 313.5,296,289.7		0.103Å--
A 103 PRO49.310.425Å
HA with A 106 ALA HB3 		Favored (74.24%)
Proline / -63.4,-25.1		51.5% (Cg_endo)
chi angles: 25.2		0.152Å--
A 104 GLU50.54-Favored (3.33%)
General case / -49.9,-61.6		0.5%
chi angles: 13,190.4,162.4		0.112Å--
A 105 LEU48.131.025Å
HD12 with A 99 LEU HD22 		Favored (24.36%)
General case / -88.4,-23.0		65% (mt)
chi angles: 287.7,177.9		0.127Å--
A 106 ALA47.10.478Å
N with A 102 GLN O 		Allowed (1.24%)
General case / -50.8,-17.1		-0.054Å--
A 107 ASN46.82-Favored (10.31%)
General case / -120.2,-2.5		1.2% (p30)
chi angles: 34.6,21.1		0.135Å--
A 108 LYS42.42-Favored (13.47%)
General case / -97.3,-29.2		50.6% (mttp)
chi angles: 295.8,170.1,175.9,51.2		0.079Å--
A 109 VAL38.230.581Å
HA with A 47 GLN O 		Favored (54.27%)
General case / -100.8,130.4		39.1% (t)
chi angles: 166.1		0.082Å-1 OUTLIER(S)
worst is C-N-CA: 4.624 σ
A 110 ASP33.3-Allowed (0.27%)
General case / -97.8,-88.6		9.5% (t0)
chi angles: 164.5,14		0.238Å--
A 111 MET28.47-Favored (18.49%)
General case / -100.0,156.9		0.1%
chi angles: 339.4,193.5,236.1		0.159Å--
A 112 VAL22.990.842Å
HG22 with A 4 LEU HD12 		Favored (61.29%)
General case / -116.2,132.8		0.5%
chi angles: 2.1		0.303Å--
A 113 TRP20.390.633Å
O with A 50 VAL HA 		Favored (59.15%)
General case / -115.7,123.1		90.9% (m95)
chi angles: 285.8,97.4		0.153Å--
A 114 ILE17.710.507Å
HD11 with A 4 LEU HD11 		Favored (35.37%)
General case / -94.3,116.8		6.4% (mt)
chi angles: 285.9,142.1		0.065Å-1 OUTLIER(S)
worst is C-N-CA: 5.869 σ
A 115 VAL16.16-Favored (19.61%)
General case / -111.9,6.1		2.5% (m)
chi angles: 317.8		0.407Å--
A 116 GLY17.330.488Å
O with A 52 MET HA 		Favored (24.12%)
Glycine / 107.3,-179.1		---2 OUTLIER(S)
worst is O-C-N: 6.206 σ
A 117 GLY22.58-Favored (20.75%)
Glycine / -83.8,-153.8		---2 OUTLIER(S)
worst is C-N-CA: 4.556 σ
A 118 SER23.3-Favored (6.36%)
General case / -44.4,-54.9		1.9% (m)
chi angles: 320.1		0.224Å-1 OUTLIER(S)
worst is N-CA-C: 4.373 σ
A 119 SER25.08-Favored (95.58%)
General case / -62.4,-39.9		0.3%
chi angles: 26.9		0.082Å--
A 120 VAL23.470.576Å
HG22 with 187 NDP N7A 		Favored (70.04%)
General case / -72.8,-34.9		44.8% (t)
chi angles: 183.8		0.05Å-2 OUTLIER(S)
worst is O-C-N: 5.818 σ
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 121 TYR23.860.631Å
O with A 125 MET HB2 		Favored (65.41%)
General case / -71.6,-46.4		22.7% (m-85)
chi angles: 280.7,123.5		0.12Å-1 OUTLIER(S)
worst is O-C-N: 6.216 σ
A 122 LYS31.48-Favored (59.79%)
General case / -51.3,-42.2		0.5%
chi angles: 215.4,193.1,138.3,136.2		0.06Å--
A 123 GLU38.07-Favored (27.79%)
General case / -79.3,-43.6		7% (tp10)
chi angles: 190.7,75.8,78.3		0.251Å--
A 124 ALA31.52-Favored (94.29%)
General case / -61.5,-45.5		-0.072Å--
A 125 MET36.060.631Å
HB2 with A 121 TYR O 		Favored (31.29%)
General case / -53.5,-28.2		0.3%
chi angles: 189.1,103.5,156		0.166Å--
A 126 ASN41.37-Favored (21.25%)
General case / -108.4,0.6		11.7% (m-20)
chi angles: 314.6,331.1		0.161Å--
A 127 HIS41.34-Favored (88.4%)
Pre-proline / -59.1,132.2		37.9% (t-80)
chi angles: 193.1,256.6		0.204Å--
A 128 PRO39.6-Favored (59.62%)
Proline / -54.6,144.6		39.5% (Cg_endo)
chi angles: 23.7		0.09Å--
A 129 GLY37.13-Favored (17.73%)
Glycine / 115.8,-176.2		----
A 130 HIS32.540.909Å
ND1 with A 184 LYS O 		Favored (38.65%)
General case / -88.8,131.9		86.3% (t60)
chi angles: 181.8,71.6		0.216Å--
A 131 LEU25.720.928Å
CD1 with A 4 LEU HD23 		Favored (31.6%)
General case / -154.0,158.1		3.8% (tp)
chi angles: 192.6,94		0.194Å--
A 132 LYS27.95-Favored (46.53%)
General case / -136.4,142.0		22% (mtmt)
chi angles: 291.6,196.8,263.9,210.7		0.131Å--
A 133 LEU19.250.61Å
HD22 with A 156 TYR CE2 		Favored (42.35%)
General case / -119.5,117.4		0.2%
chi angles: 267.5,27.4		0.184Å-1 OUTLIER(S)
worst is O-C-N: 6.397 σ
A 134 PHE19.030.421Å
HB2 with A 7 ILE HG13 		Favored (22.16%)
General case / -98.7,106.5		3.4% (m-85)
chi angles: 298.8,63		0.094Å--
A 135 VAL20.570.401Å
HG21 with A 182 TYR CE1 		Favored (61.33%)
General case / -109.2,126.0		2.3% (t)
chi angles: 201.7		0.195Å--
A 136 THR19.58-Favored (40.47%)
General case / -92.1,123.4		59.3% (m)
chi angles: 304.1		0.074Å--
A 137 ARG20.020.534Å
HB2 with A 178 LYS HG2 		Favored (20.08%)
General case / -96.7,104.8		13.6% (mmt180)
chi angles: 288.6,267.2,190.1,212.6		0.174Å--
A 138 ILE22.14-Favored (32.69%)
General case / -83.9,122.8		1.8% (mm)
chi angles: 305.4,263.9		0.106Å-1 OUTLIER(S)
worst is N-CA-C: -5.143 σ
A 139 MET30.570.586Å
SD with A 178 LYS HD3 		Allowed (0.41%)
General case / -79.5,30.8		30.1% (mtp)
chi angles: 273.7,158.1,80.7		0.302Å-1 OUTLIER(S)
worst is CA-C-O: -4.503 σ
A 140 GLN26.53-Favored (7.25%)
General case / -148.7,179.5		3.2% (pt20)
chi angles: 30.4,175.2,313		0.36Å-1 OUTLIER(S)
worst is CA-C-N: 5.404 σ
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 141 ASP30.45-Favored (38.57%)
General case / -97.9,138.0		80.7% (m-20)
chi angles: 285.4,176.6		0.14Å--
A 142 PHE25.750.405Å
HZ with A 175 ILE HD13 		Favored (40.24%)
General case / -136.0,132.7		96.5% (m-85)
chi angles: 292.7,94.3		0.186Å--
A 143 GLU30.08-Favored (29.1%)
General case / -62.5,127.1		15.4% (tt0)
chi angles: 200,201.7,12.9		0.17Å--
A 144 SER23.67-Favored (12.09%)
General case / -134.9,174.8		0.8%
chi angles: 340.8		0.247Å--
A 145 ASP21.46-Favored (3.79%)
General case / -131.2,-9.4		48.6% (p-10)
chi angles: 65.6,171.3		0.093Å-1 OUTLIER(S)
worst is O-C-N: 5.106 σ
A 146 THR20.34-Favored (37.39%)
General case / -139.2,136.7		0.1%
chi angles: 98.9		0.238Å--
A 147 PHE21.720.722Å
HD2 with A 14 MET O 		Favored (30.4%)
General case / -122.6,160.8		88.9% (m-85)
chi angles: 301.6,94.7		0.161Å--
A 148 PHE18.950.505Å
CD1 with A 8 VAL HG21 		Favored (57.05%)
Pre-proline / -89.1,131.7		39.6% (t80)
chi angles: 191.5,65.8		0.101Å--
A 149 PRO22.01-Favored (29.21%)
Proline / -62.3,163.0		2.8% (Cg_exo)
chi angles: 354.1		0.058Å--
A 150 GLU32.77-Favored (35.06%)
General case / -75.7,152.2		12.4% (pt-20)
chi angles: 72.9,187.5,104.8		0.23Å--
A 151 ILE24.79-Favored (41.72%)
General case / -91.7,127.3		2.4% (mt)
chi angles: 320.6,194.5		0.132Å--
A 152 ASP25.28-Favored (17.1%)
General case / -87.9,104.7		15.9% (t0)
chi angles: 174.5,31.7		0.158Å--
A 153 LEU24.750.423Å
HD23 with A 153 LEU HA 		Favored (62.53%)
General case / -71.8,-14.0		0.8%
chi angles: 276.8,215.2		0.215Å--
A 154 GLU29.4-Favored (43.4%)
General case / -82.7,-17.1		2.3% (mm-40)
chi angles: 315.6,251.4,41		0.183Å--
A 155 LYS27.32-Favored (4.36%)
General case / -110.2,-42.1		16.5% (mttt)
chi angles: 278.5,165.3,213.5,223.8		0.016Å--
A 156 TYR23.110.61Å
CE2 with A 133 LEU HD22 		Favored (33.63%)
General case / -98.5,114.4		46.7% (m-85)
chi angles: 281.6,99.5		0.174Å--
A 157 LYS28.14-Favored (36.87%)
General case / -93.7,137.5		19.3% (mmtt)
chi angles: 301.3,259.3,158.9,189		0.26Å--
A 158 LEU21.64-Favored (35.93%)
General case / -83.7,125.7		3.6% (tp)
chi angles: 186.8,35.1		0.203Å--
A 159 LEU22.010.718Å
O with 212 HOH O 		Favored (78.58%)
Pre-proline / -80.3,144.7		6.4% (mt)
chi angles: 305.8,203.7		0.373Å--
A 160 PRO24.4-Favored (44.81%)
Proline / -68.7,-18.6		30.9% (Cg_exo)
chi angles: 325.2		0.24Å-1 OUTLIER(S)
worst is C-N-CA: 5.632 σ
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 161 GLU28.29-Favored (5.92%)
General case / -171.9,170.1		3.5% (pt-20)
chi angles: 93.1,199.1,136		0.041Å--
A 162 TYR24.56-Allowed (1.84%)
Pre-proline / -165.2,128.3		27.9% (t80)
chi angles: 197.3,76.3		0.136Å--
A 163 PRO26.92-Favored (12.91%)
Proline / -54.8,121.1		19.2% (Cg_endo)
chi angles: 17.4		0.036Å--
A 164 GLY27.78-Favored (61%)
Glycine / 89.7,15.4		---1 OUTLIER(S)
worst is C-N-CA: 5.833 σ
A 165 VAL26.63-Favored (22.04%)
General case / -127.4,113.4		55.6% (t)
chi angles: 170.7		0.268Å--
A 166 LEU28.99-Favored (39.78%)
General case / -56.6,131.7		10.7% (mp)
chi angles: 273.2,66.5		0.034Å--
A 167 SER31.65-Favored (30.87%)
General case / -98.4,-4.2		24.8% (m)
chi angles: 285.5		0.15Å--
A 168 ASP30.750.859Å
O with A 170 GLN NE2 		Favored (26.6%)
General case / -109.7,153.0		9.7% (p-10)
chi angles: 68.2,118.8		0.128Å--
A 169 VAL28.35-Favored (19.74%)
General case / -53.0,127.5		23.2% (t)
chi angles: 187.2		0.26Å--
A 170 GLN30.690.859Å
NE2 with A 168 ASP O 		Favored (15.95%)
General case / -101.2,161.5		73.4% (mm-40)
chi angles: 305.5,312.3,295.6		0.135Å--
A 171 GLU34.070.671Å
HA with A 176 LYS HA 		Favored (6.52%)
General case / -153.4,123.9		1.3% (tt0)
chi angles: 143.5,157.7,75.4		0.167Å--
A 172 GLU34.4-Favored (26.79%)
General case / -143.3,136.0		0.5%
chi angles: 140.4,190.3,56.4		0.205Å--
A 173 LYS31.53-Favored (10.68%)
General case / 61.4,22.7		85.5% (mttt)
chi angles: 309,187.2,180,183.6		0.153Å--
A 174 GLY30.38-Favored (83.45%)
Glycine / 81.6,13.3		----
A 175 ILE28.120.405Å
HD13 with A 142 PHE HZ 		Favored (42.2%)
General case / -115.6,116.7		74.5% (mt)
chi angles: 290.3,164.5		0.112Å--
A 176 LYS32.260.671Å
HA with A 171 GLU HA 		Favored (25.83%)
General case / -90.1,145.5		11.4% (mttm)
chi angles: 299.4,214.3,188.1,334.7		0.32Å--
A 177 TYR26.65-Favored (26.65%)
General case / -160.9,161.2		43.7% (p90)
chi angles: 59.4,96.3		0.086Å--
A 178 LYS23.440.586Å
HD3 with A 139 MET SD 		Favored (52.17%)
General case / -137.3,152.3		0%
chi angles: 72.2,224,162.2,97.7		0.169Å--
A 179 PHE21.53-Favored (47.13%)
General case / -99.8,133.9		47.6% (m-85)
chi angles: 308.1,112.7		0.154Å--
A 180 GLU21.47-Favored (45.11%)
General case / -139.3,159.0		52.6% (mt-10)
chi angles: 311,179.5,147.4		0.11Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 181 VAL20.48-Favored (23.47%)
General case / -136.0,120.6		8% (t)
chi angles: 193.2		0.072Å--
A 182 TYR19.260.527Å
CD1 with A 182 TYR N 		Favored (26.94%)
General case / -106.7,150.0		3.1% (m-85)
chi angles: 299.5,63		0.19Å--
A 183 GLU23.180.702Å
CG with A 130 HIS HE1 		Favored (51.19%)
General case / -129.9,147.1		14% (tt0)
chi angles: 171.1,153.8,70.2		0.224Å--
A 184 LYS34.240.909Å
O with A 130 HIS ND1 		Favored (40.77%)
General case / -138.2,162.4		43.6% (tttt)
chi angles: 172.1,202.2,198.7,187.3		0.048Å--
A 185 ASN36.160.705Å
N with A 184 LYS HG2 		Allowed (0.11%)
General case / -177.7,112.6		35.9% (t-20)
chi angles: 197.3,3.6		0.178Å--
A 186 ASP42.130.519Å
CG with A 184 LYS HE2 		-34.2% (p-10)
chi angles: 72.7,178.4		0.132Å-1 OUTLIER(S)
worst is CA-C-O: -7.071 σ
187 NDP28.670.684Å
H52A with 187 NDP H8A 		-----
188 MTX28.920.53Å
CT with A 70 ARG HH22 		---1 OUTLIER(S)
worst is CA--C: 39.11 σ		2 OUTLIER(S)
worst is N-CA-C: -32.548 σ
234 HOH46.85------
189 HOH32.36------
190 HOH42.11------
191 HOH32.66------
192 HOH26.64------
193 HOH28.17------
194 HOH20.050.522Å
O with A 55 LYS NZ 		-----
195 HOH54.72------
196 HOH43.56------
197 HOH35.45------
198 HOH40.23------
199 HOH29.07------
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
200 HOH20.08------
201 HOH37.79------
202 HOH30.98------
203 HOH26.71------
204 HOH25.57------
205 HOH54.94------
206 HOH43.71------
207 HOH30.81------
208 HOH29.74------
209 HOH39.69------
210 HOH34.32------
211 HOH32.32------
212 HOH30.740.718Å
O with A 159 LEU O 		-----
213 HOH45.05------
214 HOH39.97------
215 HOH47.45------
216 HOH42.98------
217 HOH32.59------
218 HOH35.65------
219 HOH27.66------
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
220 HOH32.64------
221 HOH28.410.717Å
O with A 91 ARG HB3 		-----
222 HOH36.69------
223 HOH30.55------
224 HOH43.7------
225 HOH30.21------
226 HOH29.64------
227 HOH43.14------
228 HOH37.87------
229 HOH43.65------
230 HOH38.02------
231 HOH40.83------
232 HOH25.46------
233 HOH33.14------
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