A0A3Q0KBL9_SCHMA Loading...

Lim homeobox protein

AlphaFold DB , UniProt , Accession A0A3Q0KBL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,009 aa.

						>A0A3Q0KBL9_SCHMA|A0A3Q0KBL9
MIKHHLDKVNELRQEEVRRIERHHHNNDNLQQIKSNQDIDYDQFQSDINPNQSDQHQEQNILKTEELTVDEICVEKNPLTATTTRLTNDHNHDTMVNNNHSMLLSDGNNSIQQNNSFDNIKPLILGNLIDSSDEMKNYRCTNFCPKLWNSVKNEMEFPMNINPPIPIANNSIENNHNSDNNDYEFTRSNICNLCNVTEQLWSLSSSTSTSTSTSSSSEPLAIESSSSLSDRLEDKQTTFSQSFELINLHCTSCHHCIHDKLFLCMDNKYWHLNCLRCYKCGITLQWEKTCFVKNDMVFCREHYKRLSSCFRCGIKLNKNDLIFQVNYDTLYHESCFTCYTCGRLLKYGDTYILENQTIQCSSHTTTTTTTTNLTTNNDQSFMINKTSNDTNHSYIHSTIKQSNINNQFPNLINFLQSPNSINFNEENNNFHENLKKITKNFSSHSLTPPSYDYQQQNDLSIIYETTTTNNNSSNNNNDKFSSNDENNQQKNEKNSMNNIIMNYSTEQLTPLLVTNSLLLEKNKLINLTNHIDDCQNYLIKSHNQDDNESLSDCSKIPMKNFAYHEKDLNKLTHTQFCLIDTNPNYITDYVISNTKLSTINYNESMEIKEITETDNTRINLLPSIETVTQSFNTKSNIIIDSLNNDIHTNCILNTISTRTPISTVLTSPLYSFCSPSSSSSSSPSLSSICISLSTSPPLCPIGNFTNVSSISKTGLSTNKDVHNVITLNDTSQNHIINKRELPMLTDLCETPTNNKQQQPPLNETMTNEVVNKTSVKSVNLFKNTKSDQFKSTKSIKFIKKLDNERLITNEKLHRRMDKSTGKIKRIRTSFKHQQLRIMKSYFEFSHNPDSKDLKQLSQKTGLSKRVLQVWFQNARAKFRRNTNNQIYTDRLKQKEINSINQYSTSSPLPPPISTSTTQNINNNPNIINKSLYPCLTEYDYKDEEKIDNFYIKSINSDYNHYLNVSLNSNNESIINNNNLIQSNNIQSNLIICTTNNITSYTDNLSQSVR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.6	Low	75.3	Confident	182 Å²	182	112.9 Å²	112.9	90%	0.897	55%	0.551	S	S	*	*				0	-52.2	0	-161.1	164.9	69.6	0	0	115	K3 H4	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.47Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-H4 PolarHBondContact O-N 2.85Å
2	I	62.6	Low	76.1	Confident	92 Å²	92	113.2 Å²	113.2	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-53.4	-40.3	-170.3	-70	-164.2	0	0	0	114.9	H4 H5 L6 Y183	I2-H4 PolarHBondContact O-N 3.18Å; I2-H5 CarbonylContact O-C 3.59Å; I2-H5 WeakPolarHBondContact O-CA 3.41Å; I2-H5 WeakPolarHBondContact O-CB 3.39Å; I2-H5 PolarHBondContact O-N 2.85Å; I2-L6 PolarHBondContact O-N 3.43Å; I2-Y183 HydrophobicContact CD1-CE1 3.89Å; I2-Y183 WeakPolarHBondContact CD1-OH 3.46Å; I2-Y183 HydrophobicContact CG1-CE1 4.35Å; I2-Y183 HydrophobicContact CG1-CE2 4.44Å; I2-Y183 WeakPolarHBondContact CG1-OH 3.36Å
3	K	73.3	Confident	76.6	Confident	158 Å²	158	118.5 Å²	118.5	69%	0.687	57%	0.566	S	S	*	*	H	α-helix	trans	-53.2	-52.5	179.7	-178.1	178.9	174.7	-173.7	0	112.6	M1 H5 L6 D7	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.47Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-H5 PolarHBondContact O-N 3.17Å; K3-L6 WeakPolarHBondContact O-CA 3.43Å; K3-L6 WeakPolarHBondContact O-CB 3.41Å; K3-L6 PolarHBondContact O-N 3.42Å; K3-D7 WeakPolarHBondContact CG-OD2 3.44Å; K3-D7 VanDerWaalsContact O-CG 3.25Å; K3-D7 PolarHBondContact O-N 3.48Å
4	H	77.2	Confident	77.2	Confident	122 Å²	122	117.7 Å²	117.7	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-56.9	-35.5	175.2	169.2	-98.6	0	0	0	112.7	M1 I2 K8	M1-H4 PolarHBondContact O-N 2.85Å; I2-H4 PolarHBondContact O-N 3.18Å; H4-K8 VanDerWaalsContact O-CB 3.24Å; H4-K8 WeakPolarHBondContact O-CB 3.37Å; H4-K8 PolarHBondContact O-N 3.21Å
5	H	69.7	Low	77.7	Confident	123 Å²	123	114.5 Å²	114.5	57%	0.569	55%	0.546	S	S	*	.	H	α-helix	trans	-69.6	-35.4	175.9	-129	-49.3	0	0	0	112.6	I2 K3 V9	I2-H5 CarbonylContact O-C 3.59Å; I2-H5 WeakPolarHBondContact O-CA 3.41Å; I2-H5 WeakPolarHBondContact O-CB 3.39Å; I2-H5 PolarHBondContact O-N 2.85Å; K3-H5 PolarHBondContact O-N 3.17Å; H5-V9 WeakPolarHBondContact O-CB 3.14Å; H5-V9 VanDerWaalsContact O-CG2 3.24Å; H5-V9 WeakPolarHBondContact O-CG2 3.27Å; H5-V9 PolarHBondContact O-N 3.28Å; H5-V9 VanDerWaalsContact O-N 3.11Å
6	L	79.3	Confident	77.8	Confident	104 Å²	104	112.6 Å²	112.6	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-72.6	-43.5	176.2	-158.7	76.6	0	0	0	111.4	I2 K3 V9 N10	I2-L6 PolarHBondContact O-N 3.43Å; K3-L6 WeakPolarHBondContact O-CA 3.43Å; K3-L6 WeakPolarHBondContact O-CB 3.41Å; K3-L6 PolarHBondContact O-N 3.42Å; L6-V9 PolarHBondContact O-N 2.78Å; L6-N10 PolarHBondContact O-N 3.05Å; L6-N10 PolarHBondContact O-ND2 2.83Å
7	D	81.4	Confident	78.2	Confident	77 Å²	77	110 Å²	110	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-61.1	-45.8	176.4	-64.5	-25.2	0	0	0	110.5	K3 V9 N10 E11	K3-D7 WeakPolarHBondContact CG-OD2 3.44Å; K3-D7 VanDerWaalsContact O-CG 3.25Å; K3-D7 PolarHBondContact O-N 3.48Å; D7-V9 VanDerWaalsContact C-N 3.34Å; D7-V9 PolarHBondContact O-N 3.06Å; D7-N10 WeakPolarHBondContact O-CB 3.24Å; D7-N10 PolarHBondContact O-N 3.19Å; D7-N10 VanDerWaalsContact O-N 3.14Å; D7-E11 WeakPolarHBondContact O-CB 3.42Å; D7-E11 PolarHBondContact O-N 3.14Å
8	K	82.9	Confident	78.5	Confident	109 Å²	109	109.6 Å²	109.6	47%	0.474	52%	0.521	S	S	.	.	H	α-helix	trans	-66.6	-31.1	175.9	-164.8	163.6	-169.9	164.6	0	113.4	H4 L12	H4-K8 VanDerWaalsContact O-CB 3.24Å; H4-K8 WeakPolarHBondContact O-CB 3.37Å; H4-K8 PolarHBondContact O-N 3.21Å; K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 VanDerWaalsContact O-CG 3.26Å; K8-L12 WeakPolarHBondContact O-CG 3.38Å; K8-L12 PolarHBondContact O-N 3.46Å
9	V	84.7	Confident	78.7	Confident	79 Å²	79	110.4 Å²	110.4	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-70.6	-37.2	170.8	163.6	0	0	0	0	111.5	H5 L6 D7 R13	H5-V9 WeakPolarHBondContact O-CB 3.14Å; H5-V9 VanDerWaalsContact O-CG2 3.24Å; H5-V9 WeakPolarHBondContact O-CG2 3.27Å; H5-V9 PolarHBondContact O-N 3.28Å; H5-V9 VanDerWaalsContact O-N 3.11Å; L6-V9 PolarHBondContact O-N 2.78Å; D7-V9 VanDerWaalsContact C-N 3.34Å; D7-V9 PolarHBondContact O-N 3.06Å; V9-R13 VanDerWaalsContact O-CB 3.23Å; V9-R13 WeakPolarHBondContact O-CB 3.46Å; V9-R13 PolarHBondContact O-N 3.28Å
10	N	80.3	Confident	78.5	Confident	73 Å²	73	109.4 Å²	109.4	39%	0.39	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-41.1	174.1	-72	-34.9	0	0	0	111.7	L6 D7 R13 Q14	L6-N10 PolarHBondContact O-N 3.05Å; L6-N10 PolarHBondContact O-ND2 2.83Å; D7-N10 WeakPolarHBondContact O-CB 3.24Å; D7-N10 PolarHBondContact O-N 3.19Å; D7-N10 VanDerWaalsContact O-N 3.14Å; N10-R13 PolarHBondContact O-N 3.14Å; N10-Q14 WeakPolarHBondContact O-CG 3.43Å; N10-Q14 PolarHBondContact O-N 2.64Å
11	E	84.9	Confident	78.5	Confident	123 Å²	123	109.6 Å²	109.6	58%	0.575	52%	0.516	S	S	*	.	H	α-helix	trans	-61.1	-51.5	174.8	-176.9	-179.3	-146.7	0	0	111.7	D7 R13 Q14 E15	D7-E11 WeakPolarHBondContact O-CB 3.42Å; D7-E11 PolarHBondContact O-N 3.14Å; E11-R13 PolarHBondContact O-N 2.85Å; E11-Q14 PolarHBondContact O-N 2.93Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; E11-E15 PolarHBondContact O-N 2.91Å
12	L	84.1	Confident	79.7	Confident	116 Å²	116	106.7 Å²	106.7	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-58	-37.7	174.3	-74.9	168.9	0	0	0	112.2	K8 E15 E16	K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 VanDerWaalsContact O-CG 3.26Å; K8-L12 WeakPolarHBondContact O-CG 3.38Å; K8-L12 PolarHBondContact O-N 3.46Å; L12-E15 PolarHBondContact O-N 3.39Å; L12-E16 PolarHBondContact O-N 3.44Å
13	R	82.9	Confident	80.2	Confident	182 Å²	182	107.8 Å²	107.8	69%	0.687	50%	0.498	S	S	*	.	H	α-helix	trans	-69.7	-36.6	177	-174.8	176.2	178.9	-173.5	-2.1	112.6	V9 N10 E11 V17	V9-R13 VanDerWaalsContact O-CB 3.23Å; V9-R13 WeakPolarHBondContact O-CB 3.46Å; V9-R13 PolarHBondContact O-N 3.28Å; N10-R13 PolarHBondContact O-N 3.14Å; E11-R13 PolarHBondContact O-N 2.85Å; R13-V17 WeakPolarHBondContact O-CG2 3.25Å; R13-V17 PolarHBondContact O-N 3.04Å; R13-V17 VanDerWaalsContact O-N 3.13Å
14	Q	85.5	Confident	80.1	Confident	108 Å²	108	105.4 Å²	105.4	51%	0.505	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-42.2	171.4	-72.7	-177.5	13.7	0	0	111.3	N10 E11 E16 V17 R18	N10-Q14 WeakPolarHBondContact O-CG 3.43Å; N10-Q14 PolarHBondContact O-N 2.64Å; E11-Q14 PolarHBondContact O-N 2.93Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; Q14-E16 PolarHBondContact O-N 3.01Å; Q14-V17 WeakPolarHBondContact O-CB 3.47Å; Q14-V17 PolarHBondContact O-N 2.65Å; Q14-R18 WeakPolarHBondContact O-CG 3.25Å; Q14-R18 PolarHBondContact O-N 3.23Å
15	E	83.9	Confident	79.8	Confident	69 Å²	69	105 Å²	105	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-69.8	-32.7	-178.9	-171.6	55.9	-157.8	0	0	112.7	E11 L12 R18 R19 R22	E11-E15 PolarHBondContact O-N 2.91Å; L12-E15 PolarHBondContact O-N 3.39Å; E15-R18 CarbonylContact O-C 3.58Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 WeakPolarHBondContact OE2-CD 3.32Å; E15-R18 IonicContact OE2-CZ 3.26Å; E15-R18 IonicContact OE2-NH1 2.71Å; E15-R18 PolarHBondContact OE2-NH1 2.83Å; E15-R19 WeakPolarHBondContact O-CB 3.46Å; E15-R19 PolarHBondContact O-N 3.48Å; E15-R22 IonicContact OE1-CZ 3.79Å; E15-R22 IonicContact OE1-NH1 2.81Å; E15-R22 PolarHBondContact OE1-NH1 3.09Å; E15-R22 IonicContact OE1-NH2 3.37Å; E15-R22 PolarHBondContact OE1-NH2 3.09Å
16	E	79.3	Confident	79.7	Confident	84 Å²	84	103.5 Å²	103.5	39%	0.393	48%	0.484	S	S	.	.	H	α-helix	trans	-70.4	-33.9	170.9	-167.2	59.8	-160.1	0	0	112.1	L12 Q14 R19 I20	L12-E16 PolarHBondContact O-N 3.44Å; Q14-E16 PolarHBondContact O-N 3.01Å; E16-R19 PolarHBondContact O-N 3.14Å; E16-R19 WeakPolarHBondContact OE2-CD 3.22Å; E16-R19 IonicContact OE2-CZ 2.78Å; E16-R19 IonicContact OE2-NE 3.55Å; E16-R19 IonicContact OE2-NH1 3.98Å; E16-R19 PolarHBondContact OE2-NH1 3.23Å; E16-I20 HydrophobicContact CG-CD1 4.31Å; E16-I20 VanDerWaalsContact O-CG1 3.3Å; E16-I20 WeakPolarHBondContact O-CG1 3.46Å; E16-I20 PolarHBondContact O-N 3.48Å
17	V	84.4	Confident	78.7	Confident	69 Å²	69	102.4 Å²	102.4	42%	0.418	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-48.8	167.9	167.9	0	0	0	0	110.3	R13 Q14 R19 I20 E21	R13-V17 WeakPolarHBondContact O-CG2 3.25Å; R13-V17 PolarHBondContact O-N 3.04Å; R13-V17 VanDerWaalsContact O-N 3.13Å; Q14-V17 WeakPolarHBondContact O-CB 3.47Å; Q14-V17 PolarHBondContact O-N 2.65Å; V17-R19 PolarHBondContact O-N 2.86Å; V17-I20 PolarHBondContact O-N 2.95Å; V17-I20 VanDerWaalsContact O-N 3.09Å; V17-E21 HydrophobicContact CG1-CG 4.28Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.31Å; V17-E21 WeakPolarHBondContact O-CB 3.44Å; V17-E21 WeakPolarHBondContact O-CG 3.46Å; V17-E21 PolarHBondContact O-N 2.91Å
18	R	84.4	Confident	77.8	Confident	102 Å²	102	102 Å²	102	39%	0.385	48%	0.476	S	S	.	.	H	α-helix	trans	-60.6	-31.1	174.1	-65	-176.6	-155.1	104.7	7.1	112.9	Q14 E15 R22	Q14-R18 WeakPolarHBondContact O-CG 3.25Å; Q14-R18 PolarHBondContact O-N 3.23Å; E15-R18 CarbonylContact O-C 3.58Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 WeakPolarHBondContact OE2-CD 3.32Å; E15-R18 IonicContact OE2-CZ 3.26Å; E15-R18 IonicContact OE2-NH1 2.71Å; E15-R18 PolarHBondContact OE2-NH1 2.83Å; R18-R22 WeakPolarHBondContact O-CB 3.46Å; R18-R22 VanDerWaalsContact O-CG 3.31Å; R18-R22 WeakPolarHBondContact O-CG 3.46Å; R18-R22 PolarHBondContact O-N 3.42Å; R18-R22 PolarHBondContact O-NE 2.8Å
19	R	81.4	Confident	76.7	Confident	126 Å²	126	99.1 Å²	99.1	48%	0.475	47%	0.466	S	S	.	.	H	α-helix	trans	-70.1	-43.7	173.7	177.6	179.7	-79.8	127.7	-5.4	111	E15 E16 V17 R22 H23	E15-R19 WeakPolarHBondContact O-CB 3.46Å; E15-R19 PolarHBondContact O-N 3.48Å; E16-R19 PolarHBondContact O-N 3.14Å; E16-R19 WeakPolarHBondContact OE2-CD 3.22Å; E16-R19 IonicContact OE2-CZ 2.78Å; E16-R19 IonicContact OE2-NE 3.55Å; E16-R19 IonicContact OE2-NH1 3.98Å; E16-R19 PolarHBondContact OE2-NH1 3.23Å; V17-R19 PolarHBondContact O-N 2.86Å; R19-R22 PolarHBondContact O-N 3.47Å; R19-H23 WeakPolarHBondContact O-CB 3.36Å; R19-H23 PolarHBondContact O-N 3.35Å
20	I	75.9	Confident	75.2	Confident	89 Å²	89	99.8 Å²	99.8	46%	0.456	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-41.5	176.1	-69.4	165.5	0	0	0	110.6	E16 V17 H23 H24	E16-I20 HydrophobicContact CG-CD1 4.31Å; E16-I20 VanDerWaalsContact O-CG1 3.3Å; E16-I20 WeakPolarHBondContact O-CG1 3.46Å; E16-I20 PolarHBondContact O-N 3.48Å; V17-I20 PolarHBondContact O-N 2.95Å; V17-I20 VanDerWaalsContact O-N 3.09Å; I20-H23 CarbonylContact O-C 3.59Å; I20-H23 PolarHBondContact O-N 3.07Å; I20-H24 PolarHBondContact O-N 3.39Å
21	E	78.3	Confident	73.8	Confident	114 Å²	114	102.6 Å²	102.6	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-44.2	174.3	-71.7	166.7	164.9	0	0	111.7	V17 H23 H24 H25	V17-E21 HydrophobicContact CG1-CG 4.28Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.31Å; V17-E21 WeakPolarHBondContact O-CB 3.44Å; V17-E21 WeakPolarHBondContact O-CG 3.46Å; V17-E21 PolarHBondContact O-N 2.91Å; E21-H23 VanDerWaalsContact C-N 3.33Å; E21-H23 PolarHBondContact O-N 3.42Å; E21-H24 PolarHBondContact O-N 3.5Å; E21-H25 WeakPolarHBondContact O-CB 3.48Å; E21-H25 PolarHBondContact O-N 2.97Å
22	R	77.4	Confident	72.2	Confident	121 Å²	121	101.8 Å²	101.8	46%	0.457	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-35.1	171.7	-78.3	172.2	-66.8	-169.7	-0	112.6	E15 R18 R19 N26	E15-R22 IonicContact OE1-CZ 3.79Å; E15-R22 IonicContact OE1-NH1 2.81Å; E15-R22 PolarHBondContact OE1-NH1 3.09Å; E15-R22 IonicContact OE1-NH2 3.37Å; E15-R22 PolarHBondContact OE1-NH2 3.09Å; R18-R22 WeakPolarHBondContact O-CB 3.46Å; R18-R22 VanDerWaalsContact O-CG 3.31Å; R18-R22 WeakPolarHBondContact O-CG 3.46Å; R18-R22 PolarHBondContact O-N 3.42Å; R18-R22 PolarHBondContact O-NE 2.8Å; R19-R22 PolarHBondContact O-N 3.47Å; R22-N26 WeakPolarHBondContact O-CB 3.39Å; R22-N26 PolarHBondContact O-N 3.27Å; R22-N26 PolarHBondContact O-ND2 3.42Å
23	H	73.1	Confident	70.7	Confident	115 Å²	115	101 Å²	101	53%	0.532	47%	0.469	S	S	.	.	H	α-helix	trans	-73.3	-34.6	174.9	-97.5	-65.8	0	0	0	113.1	R19 I20 E21 N27	R19-H23 WeakPolarHBondContact O-CB 3.36Å; R19-H23 PolarHBondContact O-N 3.35Å; I20-H23 CarbonylContact O-C 3.59Å; I20-H23 PolarHBondContact O-N 3.07Å; E21-H23 VanDerWaalsContact C-N 3.33Å; E21-H23 PolarHBondContact O-N 3.42Å; H23-N27 VanDerWaalsContact O-CB 3.29Å; H23-N27 WeakPolarHBondContact O-CB 3.17Å; H23-N27 VanDerWaalsContact O-CG 3.25Å; H23-N27 PolarHBondContact O-N 3.43Å; H23-N27 PolarHBondContact O-ND2 2.91Å
24	H	71.4	Confident	69.1	Low	109 Å²	109	99.4 Å²	99.4	51%	0.505	47%	0.467	S	S	.	.	H	α-helix	trans	-65	-55.5	169.4	-97.7	-75.9	0	0	0	109.8	I20 E21 N26 N27 D28	I20-H24 PolarHBondContact O-N 3.39Å; E21-H24 PolarHBondContact O-N 3.5Å; H24-N26 VanDerWaalsContact C-N 3.25Å; H24-N26 PolarHBondContact O-N 3.11Å; H24-N27 CarbonylContact O-C 3.58Å; H24-N27 WeakPolarHBondContact O-CA 3.46Å; H24-N27 PolarHBondContact O-N 2.88Å; H24-D28 WeakPolarHBondContact O-CB 3.45Å; H24-D28 PolarHBondContact O-N 3.13Å; H24-D28 VanDerWaalsContact O-OD2 3.14Å
25	H	70.6	Confident	67.4	Low	112 Å²	112	97.5 Å²	97.5	52%	0.519	47%	0.466	S	S	.	.	H	α-helix	trans	-58.7	-35.6	178.7	-167.1	44.9	0	0	0	112.6	E21 N29	E21-H25 WeakPolarHBondContact O-CB 3.48Å; E21-H25 PolarHBondContact O-N 2.97Å; H25-N29 PolarHBondContact NE2-ND2 3.02Å; H25-N29 WeakPolarHBondContact O-CB 3.32Å; H25-N29 PolarHBondContact O-N 3.29Å; H25-N29 PolarHBondContact O-ND2 3.23Å; H25-N29 VanDerWaalsContact O-ND2 3.07Å
26	N	66.7	Low	65.7	Low	93 Å²	93	100.1 Å²	100.1	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-70	-34.4	171.8	-76.2	-10.4	0	0	0	113.6	R22 H24 L30	R22-N26 WeakPolarHBondContact O-CB 3.39Å; R22-N26 PolarHBondContact O-N 3.27Å; R22-N26 PolarHBondContact O-ND2 3.42Å; H24-N26 VanDerWaalsContact C-N 3.25Å; H24-N26 PolarHBondContact O-N 3.11Å; N26-L30 WeakPolarHBondContact O-CB 3.34Å; N26-L30 PolarHBondContact O-N 3.08Å
27	N	59.1	Low	63.8	Low	81 Å²	81	103.5 Å²	103.5	43%	0.433	50%	0.498	S	S	.	.	H	α-helix	trans	-75.3	-31.9	173.7	-79.6	-28.5	0	0	0	112.6	H23 H24 L30 Q31	H23-N27 VanDerWaalsContact O-CB 3.29Å; H23-N27 WeakPolarHBondContact O-CB 3.17Å; H23-N27 VanDerWaalsContact O-CG 3.25Å; H23-N27 PolarHBondContact O-N 3.43Å; H23-N27 PolarHBondContact O-ND2 2.91Å; H24-N27 CarbonylContact O-C 3.58Å; H24-N27 WeakPolarHBondContact O-CA 3.46Å; H24-N27 PolarHBondContact O-N 2.88Å; N27-L30 CarbonylContact O-C 3.58Å; N27-L30 PolarHBondContact O-N 3.32Å; N27-Q31 WeakPolarHBondContact O-CB 3.29Å; N27-Q31 WeakPolarHBondContact O-CG 3.43Å; N27-Q31 PolarHBondContact O-N 3.46Å
28	D	63.3	Low	61.6	Low	68 Å²	68	106.4 Å²	106.4	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-73.2	-39.9	175.2	-59	-27.5	0	0	0	108.9	H24 Q31 Q32	H24-D28 WeakPolarHBondContact O-CB 3.45Å; H24-D28 PolarHBondContact O-N 3.13Å; H24-D28 VanDerWaalsContact O-OD2 3.14Å; D28-Q31 PolarHBondContact O-N 2.96Å; D28-Q32 WeakPolarHBondContact O-CB 3.45Å; D28-Q32 VanDerWaalsContact O-CG 3.3Å; D28-Q32 WeakPolarHBondContact O-CG 3.33Å; D28-Q32 PolarHBondContact O-N 2.83Å
29	N	59.6	Low	59.1	Low	48 Å²	48	108.8 Å²	108.8	26%	0.257	53%	0.53	S	S	.	.	H	α-helix	trans	-64.4	-36.3	166.8	-70.8	-26.2	0	0	0	111.6	H25 Q32 I33	H25-N29 PolarHBondContact NE2-ND2 3.02Å; H25-N29 WeakPolarHBondContact O-CB 3.32Å; H25-N29 PolarHBondContact O-N 3.29Å; H25-N29 PolarHBondContact O-ND2 3.23Å; H25-N29 VanDerWaalsContact O-ND2 3.07Å; N29-Q32 PolarHBondContact O-N 3.44Å; N29-I33 VanDerWaalsContact O-CB 3.31Å; N29-I33 WeakPolarHBondContact O-CB 3.47Å; N29-I33 WeakPolarHBondContact O-CD1 3.39Å; N29-I33 WeakPolarHBondContact O-CG1 3.19Å; N29-I33 PolarHBondContact O-N 2.93Å
30	L	52.1	Low	56.9	Low	93 Å²	93	110.2 Å²	110.2	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-72.7	-29.3	174.8	-136.8	76.7	0	0	0	112.8	N26 N27 K34	N26-L30 WeakPolarHBondContact O-CB 3.34Å; N26-L30 PolarHBondContact O-N 3.08Å; N27-L30 CarbonylContact O-C 3.58Å; N27-L30 PolarHBondContact O-N 3.32Å; L30-K34 WeakPolarHBondContact O-CB 3.37Å; L30-K34 VanDerWaalsContact O-CG 3.26Å; L30-K34 WeakPolarHBondContact O-CG 3.39Å; L30-K34 PolarHBondContact O-N 2.97Å; L30-K34 VanDerWaalsContact O-N 3.1Å
31	Q	52.1	Low	54.8	Low	132 Å²	132	115.2 Å²	115.2	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-75.2	-38.2	171.1	-79.3	179.6	65.2	0	0	111.2	N27 D28 K34 S35	N27-Q31 WeakPolarHBondContact O-CB 3.29Å; N27-Q31 WeakPolarHBondContact O-CG 3.43Å; N27-Q31 PolarHBondContact O-N 3.46Å; D28-Q31 PolarHBondContact O-N 2.96Å; Q31-K34 CarbonylContact O-C 3.58Å; Q31-K34 PolarHBondContact O-N 3.41Å; Q31-S35 PolarHBondContact O-N 3.26Å; Q31-S35 PolarHBondContact O-OG 3.08Å
32	Q	51.4	Low	52.7	Low	107 Å²	107	115.5 Å²	115.5	50%	0.5	57%	0.567	S	S	.	*	H	α-helix	trans	-65.8	-42.8	171.6	-75.6	179.4	7.3	0	0	111.6	D28 N29 K34 S35 N36	D28-Q32 WeakPolarHBondContact O-CB 3.45Å; D28-Q32 VanDerWaalsContact O-CG 3.3Å; D28-Q32 WeakPolarHBondContact O-CG 3.33Å; D28-Q32 PolarHBondContact O-N 2.83Å; N29-Q32 PolarHBondContact O-N 3.44Å; Q32-K34 PolarHBondContact O-N 3.13Å; Q32-S35 WeakPolarHBondContact CA-OG 3.47Å; Q32-S35 PolarHBondContact O-N 2.73Å; Q32-S35 PolarHBondContact O-OG 2.98Å; Q32-S35 VanDerWaalsContact O-OG 3.09Å; Q32-N36 WeakPolarHBondContact O-CB 3.48Å; Q32-N36 PolarHBondContact O-N 3.34Å; Q32-N36 PolarHBondContact O-ND2 3.01Å; Q32-N36 PolarHBondContact O-OD1 2.96Å; Q32-N36 VanDerWaalsContact O-OD1 3.08Å
33	I	52.6	Low	50.5	Low	100 Å²	100	117.2 Å²	117.2	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-62.7	-31.8	173.2	-71.3	163.3	0	0	0	111	N29 Q37	N29-I33 VanDerWaalsContact O-CB 3.31Å; N29-I33 WeakPolarHBondContact O-CB 3.47Å; N29-I33 WeakPolarHBondContact O-CD1 3.39Å; N29-I33 WeakPolarHBondContact O-CG1 3.19Å; N29-I33 PolarHBondContact O-N 2.93Å; I33-Q37 WeakPolarHBondContact O-CG 3.04Å
34	K	49.3	Very low	48.6	Very low	147 Å²	147	119.9 Å²	119.9	64%	0.639	59%	0.59	S	S	*	*	H	α-helix	trans	-81.2	-24.1	174.1	-76.5	179.8	170.7	-170.4	0	114.8	L30 Q31 Q32	L30-K34 WeakPolarHBondContact O-CB 3.37Å; L30-K34 VanDerWaalsContact O-CG 3.26Å; L30-K34 WeakPolarHBondContact O-CG 3.39Å; L30-K34 PolarHBondContact O-N 2.97Å; L30-K34 VanDerWaalsContact O-N 3.1Å; Q31-K34 CarbonylContact O-C 3.58Å; Q31-K34 PolarHBondContact O-N 3.41Å; Q32-K34 PolarHBondContact O-N 3.13Å
35	S	49.5	Very low	46.7	Very low	68 Å²	68	122.4 Å²	122.4	48%	0.476	60%	0.602	S	S	.	*	H	α-helix	trans	-84.6	-29	172	63	0	0	0	0	112.3	Q31 Q32 Q37	Q31-S35 PolarHBondContact O-N 3.26Å; Q31-S35 PolarHBondContact O-OG 3.08Å; Q32-S35 WeakPolarHBondContact CA-OG 3.47Å; Q32-S35 PolarHBondContact O-N 2.73Å; Q32-S35 PolarHBondContact O-OG 2.98Å; Q32-S35 VanDerWaalsContact O-OG 3.09Å; S35-Q37 PolarHBondContact O-N 3.45Å
36	N	47.3	Very low	44.9	Very low	125 Å²	125	122 Å²	122	67%	0.668	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	18.5	-178	-58	2.6	0	0	0	112.3	Q32	Q32-N36 WeakPolarHBondContact O-CB 3.48Å; Q32-N36 PolarHBondContact O-N 3.34Å; Q32-N36 PolarHBondContact O-ND2 3.01Å; Q32-N36 PolarHBondContact O-OD1 2.96Å; Q32-N36 VanDerWaalsContact O-OD1 3.08Å
37	Q	40.7	Very low	43.3	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.724	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-8	168.8	-79.7	-171.1	-44.9	0	0	113.2	I33 S35	I33-Q37 WeakPolarHBondContact O-CG 3.04Å; S35-Q37 PolarHBondContact O-N 3.45Å
38	D	37.1	Very low	42.2	Very low	129 Å²	129	127.4 Å²	127.4	69%	0.69	64%	0.639	S	S	*	*	S	Bend	trans	-112.2	112.4	176.8	-81.4	-50.8	0	0	0	112.1
39	I	32.9	Very low	40.7	Very low	152 Å²	152	131.7 Å²	131.7	78%	0.779	66%	0.662	S	S	*	*			trans	69.8	97.3	155.7	-48.4	169	0	0	0	116.4
40	D	33.5	Very low	39.6	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	68%	0.683	S	S	*	*			trans	-96.6	118.9	150.9	-173.6	12.1	0	0	0	108.3
41	Y	32.6	Very low	38.6	Very low	193 Å²	193	137.7 Å²	137.7	76%	0.757	70%	0.701	S	S	*	*			trans	-161.4	111	167.9	-128.3	-78.4	0	0	0	111.5
42	D	35	Very low	37.8	Very low	121 Å²	121	139.9 Å²	139.9	65%	0.647	71%	0.711	S	S	*	*			trans	46.6	107	160.4	-63.3	-24.6	0	0	0	121.2
43	Q	30.3	Very low	36.8	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	72%	0.72	S	S	*	*				47.7	122.1	110.5	-135.5	89	-16.3	0	0	119.3
44	F	32.6	Very low	36	Very low	171 Å²	171	141.1 Å²	141.1	75%	0.75	73%	0.729	S	S	*	*				174.1	115	109.8	-103.3	-79.1	0	0	0	115.2
45	Q	33.1	Very low	35.3	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	73%	0.733	S	S	*	*			trans	50.4	147	143.8	-72.9	179.2	-37.5	0	0	125
46	S	32.2	Very low	34.5	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	74%	0.741	S	S	*	*			trans	69.5	139.7	150.7	52.2	0	0	0	0	119.2
47	D	33.5	Very low	33.8	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	74%	0.741	S	S	*	*			cis	-161.2	168.4	-1	-127.3	-34	0	0	0	115.6
48	I	35.4	Very low	33.3	Very low	145 Å²	145	144.8 Å²	144.8	74%	0.744	74%	0.737	S	S	*	*			trans	69.1	92.2	156.6	-59.7	157.1	0	0	0	120.3
49	N	32.6	Very low	33	Very low	158 Å²	158	145 Å²	145	85%	0.845	73%	0.734	S	S	*	*				39.4	138.7	124.9	-98.8	-18.9	0	0	0	125.2
50	P	36.4	Very low	32.8	Very low	105 Å²	105	143.6 Å²	143.6	68%	0.682	73%	0.728	S	S	*	*			trans	-105.8	169.9	169.2	41.5	-34.7	0	0	0	114.7
51	N	31.3	Very low	32.6	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	73%	0.725	S	S	*	*			trans	-173.9	173.2	145.4	-112.3	-54.4	0	0	0	114.4
52	Q	34.6	Very low	32.2	Very low	177 Å²	177	141.6 Å²	141.6	83%	0.827	73%	0.728	S	S	*	*			trans	70	110.5	-178.1	-60.9	179.8	-13.5	0	0	114
53	S	30.9	Very low	32	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	73%	0.734	S	S	*	*			cis	93.8	139.2	31.4	89.5	0	0	0	0	115.1
54	D	35.1	Very low	31.8	Very low	135 Å²	135	142.7 Å²	142.7	72%	0.722	74%	0.735	S	S	*	*			trans	109.5	134.3	165.2	-58	5.5	0	0	0	115.4
55	Q	34	Very low	31.8	Very low	151 Å²	151	142.5 Å²	142.5	71%	0.706	74%	0.736	S	S	*	*			cis	-166.4	163.1	-35.9	-124.4	178.3	24.4	0	0	108
56	H	33.2	Very low	31.6	Very low	142 Å²	142	143.1 Å²	143.1	66%	0.657	74%	0.739	S	S	*	*			trans	65.5	118.1	178.7	-57.7	-61.1	0	0	0	116.5
57	Q	33.1	Very low	31.4	Very low	140 Å²	140	144.5 Å²	144.5	65%	0.654	74%	0.738	S	S	*	*				82.3	116.6	58.6	-71.5	-171.2	-71.1	0	0	112.7
58	E	30.4	Very low	31.2	Very low	139 Å²	139	144.3 Å²	144.3	65%	0.65	74%	0.742	S	S	*	*				65.9	137	83.1	-63.5	-175.2	118.4	0	0	112.5
59	Q	29.6	Very low	30.8	Very low	134 Å²	134	142 Å²	142	63%	0.626	74%	0.735	S	S	*	*			cis	-164	164.2	-0.5	-118.9	-177.8	54.1	0	0	108.8
60	N	28.4	Very low	30.8	Very low	122 Å²	122	142.2 Å²	142.2	65%	0.652	74%	0.736	S	S	*	*			trans	68.8	150.9	146.1	-68.8	-20.9	0	0	0	124.4
61	I	29.5	Very low	30.5	Very low	151 Å²	151	145 Å²	145	77%	0.774	74%	0.74	S	S	*	*			trans	73.4	101.5	149.1	-66.8	154.2	0	0	0	120.3
62	L	25.2	Very low	30.5	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	74%	0.735	S	S	*	*				21.4	143.1	122.2	-120	76.5	0	0	0	121.8
63	K	29.9	Very low	30.2	Very low	178 Å²	178	141.8 Å²	141.8	77%	0.774	74%	0.735	S	S	*	*			trans	113.5	104.1	160.8	-71.2	180	178.4	-176.7	0	114.2
64	T	26.1	Very low	30	Very low	122 Å²	122	142.6 Å²	142.6	75%	0.748	74%	0.735	S	S	*	*				94.6	178.2	87.7	49.7	0	0	0	0	112.9
65	E	32.3	Very low	29.7	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	74%	0.741	S	S	*	*			trans	76.6	115.9	-173.6	-64.6	154.5	-140.2	0	0	113.7
66	E	29.6	Very low	29.5	Very low	174 Å²	174	145 Å²	145	81%	0.813	74%	0.74	S	S	*	*			cis	80.2	146.7	49.7	-67.9	-172.5	165.5	0	0	112.6
67	L	27.3	Very low	29.2	Very low	133 Å²	133	145.3 Å²	145.3	70%	0.696	75%	0.747	S	S	*	*			cis	-180	118.9	-23.7	-115.9	171.2	0	0	0	104.4	V69	L67-V69 HydrophobicContact CD2-CG2 3.93Å
68	T	30.5	Very low	29.3	Very low	139 Å²	139	144 Å²	144	85%	0.853	75%	0.75	S	S	*	*			trans	-159	121.8	156.1	35.2	0	0	0	0	105.3
69	V	27.3	Very low	29.1	Very low	98 Å²	98	144.5 Å²	144.5	59%	0.594	76%	0.756	S	S	*	*			cis	73	102.6	26.6	-165.9	0	0	0	0	113.8	L67	L67-V69 HydrophobicContact CD2-CG2 3.93Å
70	D	32.4	Very low	29	Very low	162 Å²	162	144.5 Å²	144.5	87%	0.866	77%	0.766	S	S	*	*			trans	-169.4	91.3	152.2	-89.6	-28.7	0	0	0	103
71	E	30.2	Very low	28.9	Very low	163 Å²	163	143 Å²	143	76%	0.762	77%	0.77	S	S	*	*				84.2	154	59.9	-157.3	175.9	-107.2	0	0	113.2
72	I	30.8	Very low	28.8	Very low	150 Å²	150	141 Å²	141	77%	0.769	77%	0.765	S	S	*	*			trans	79.6	117.8	173.2	-49.9	176	0	0	0	115.2
73	C	28.9	Very low	28.9	Very low	122 Å²	122	139 Å²	139	82%	0.824	76%	0.76	S	S	*	*			cis	-148.9	162.5	-9.9	-136.2	0	0	0	0	112.9
74	V	25.7	Very low	28.8	Very low	114 Å²	114	135 Å²	135	69%	0.691	75%	0.751	S	S	*	*			trans	-100.8	136	175.5	167.7	0	0	0	0	110.3	K76	V74-K76 HydrophobicContact CG1-CG 4.17Å
75	E	30.1	Very low	28.8	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	75%	0.751	S	S	*	*			trans	-173.2	148.9	143.7	-106.5	172.3	-175.2	0	0	109.2
76	K	29.8	Very low	28.6	Very low	156 Å²	156	136.9 Å²	136.9	68%	0.678	75%	0.745	S	S	*	*			cis	178.4	138	-40.3	-109.9	173.4	-178.3	169.9	0	104.7	V74	V74-K76 HydrophobicContact CG1-CG 4.17Å
77	N	27.1	Very low	28.5	Very low	150 Å²	150	133.8 Å²	133.8	80%	0.802	74%	0.738	S	S	*	*			trans	76.1	146.1	156.5	-65	3.3	0	0	0	120.4
78	P	33.2	Very low	28.5	Very low	112 Å²	112	133.2 Å²	133.2	73%	0.727	74%	0.736	S	S	*	*			trans	-97.6	179	178.8	41.4	-37	0	0	0	111.9
79	L	26.5	Very low	28.5	Very low	150 Å²	150	133.6 Å²	133.6	79%	0.785	73%	0.733	S	S	*	*				-177.4	155.6	123.9	-100.2	163.2	0	0	0	113.1
80	T	27.5	Very low	28.7	Very low	134 Å²	134	135.8 Å²	135.8	82%	0.822	74%	0.736	S	S	*	*			trans	61.7	146.6	156.1	44.7	0	0	0	0	120.8
81	A	26.5	Very low	28.5	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	72%	0.724	S	S	*	*			trans	-120.3	161.9	173.4	0	0	0	0	0	110.2
82	T	27.1	Very low	28.5	Very low	109 Å²	109	133.3 Å²	133.3	67%	0.669	72%	0.723	S	S	*	*			trans	-147.1	145.2	159.5	-37	0	0	0	0	110.4	M743	T82-M743 HydrophobicContact CG2-CB 4Å; T82-M743 HydrophobicContact CG2-CG 3.94Å
83	T	28	Very low	28.6	Very low	117 Å²	117	132.3 Å²	132.3	72%	0.718	72%	0.719	S	S	*	*			trans	-138.7	116.2	-174.9	-58.4	0	0	0	0	110.7
84	T	27.1	Very low	28.6	Very low	94 Å²	94	131.7 Å²	131.7	58%	0.577	71%	0.712	S	S	*	*			trans	-143	129.6	160.2	23.1	0	0	0	0	108	M743	T84-M743 PolarHBondContact OG1-O 3.43Å
85	R	27.6	Very low	28.8	Very low	202 Å²	202	134.3 Å²	134.3	76%	0.762	72%	0.718	S	S	*	*			cis	94.4	116.2	22.3	-86.4	-165.3	157.7	-150.2	-1.9	116.7
86	L	28.2	Very low	28.7	Very low	126 Å²	126	131.9 Å²	131.9	66%	0.66	72%	0.716	S	S	*	*			trans	75.4	159.2	141.7	-59	170.7	0	0	0	116.9
87	T	27.5	Very low	28.6	Very low	108 Å²	108	130.5 Å²	130.5	66%	0.663	72%	0.716	S	S	*	*			cis	-153.2	159.6	4.3	-8.5	0	0	0	0	113.3
88	N	27.2	Very low	28.6	Very low	122 Å²	122	128.6 Å²	128.6	65%	0.652	71%	0.706	S	S	*	*			trans	13.4	142.3	144.7	-53.1	3.1	0	0	0	123.3
89	D	30.5	Very low	28.3	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	71%	0.705	S	S	*	*				-140.4	141.5	112.4	-91.4	-40.6	0	0	0	107.2
90	H	30.8	Very low	28.6	Very low	144 Å²	144	130.9 Å²	130.9	67%	0.667	71%	0.706	S	S	*	*				69.5	131.4	60.3	-76.2	-27.9	0	0	0	113
91	N	29	Very low	28.7	Very low	116 Å²	116	129.6 Å²	129.6	62%	0.62	70%	0.703	S	S	*	*			cis	-158.1	177.3	9	-99.9	-31.5	0	0	0	113
92	H	30.5	Very low	28.8	Very low	157 Å²	157	132.7 Å²	132.7	73%	0.727	70%	0.704	S	S	*	*			trans	71.1	146.1	162.5	-67.4	-75.5	0	0	0	118.3
93	D	31.6	Very low	28.8	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	71%	0.707	S	S	*	*			cis	-146.4	171.2	-2.6	-131.8	-32.7	0	0	0	116.7
94	T	29	Very low	28.7	Very low	110 Å²	110	136.6 Å²	136.6	68%	0.675	72%	0.715	S	S	*	*			trans	-74.9	147.1	-170.3	56	0	0	0	0	117.3
95	M	29.5	Very low	28.9	Very low	168 Å²	168	137.5 Å²	137.5	83%	0.828	73%	0.725	S	S	*	*				170.4	126.5	117.6	-90.3	-162.9	173.7	0	0	110.1
96	V	29.1	Very low	29	Very low	130 Å²	130	135.7 Å²	135.7	79%	0.788	73%	0.73	S	S	*	*				71.4	130.2	70.2	167.1	0	0	0	0	113
97	N	27.2	Very low	29	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	74%	0.735	S	S	*	*			cis	-168.7	175.5	-21.9	-166.5	8.8	0	0	0	108.7
98	N	27.4	Very low	29	Very low	110 Å²	110	135.5 Å²	135.5	59%	0.588	74%	0.744	S	S	*	*			trans	74.8	113.5	157.9	-60.3	-42.9	0	0	0	120.5
99	N	27.1	Very low	28.9	Very low	133 Å²	133	137 Å²	137	71%	0.711	75%	0.751	S	S	*	*				50.3	125.5	121.5	-48.2	-25.4	0	0	0	120.8
100	H	32.3	Very low	28.6	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.815	76%	0.757	S	S	*	*				-147.6	108.4	123.8	-123.5	-68.8	0	0	0	113.6
101	S	30	Very low	28.3	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	76%	0.761	S	S	*	*			trans	-90.6	130.6	163.2	-50.6	0	0	0	0	109
102	M	28.1	Very low	28.1	Very low	154 Å²	154	138.3 Å²	138.3	76%	0.759	77%	0.767	S	S	*	*			trans	-159	149.4	156.8	-78.5	-156.3	74	0	0	108.6
103	L	26.9	Very low	27.9	Very low	140 Å²	140	138.9 Å²	138.9	73%	0.733	77%	0.77	S	S	*	*			cis	-177.5	126.1	-34.5	-119	166.4	0	0	0	101.7
104	L	26.7	Very low	27.7	Very low	169 Å²	169	139.1 Å²	139.1	89%	0.885	77%	0.771	S	S	*	*			trans	-68.6	141.8	168.1	-68.4	160.1	0	0	0	108.3
105	S	31.1	Very low	27.9	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	76%	0.762	S	S	*	*			trans	-141	111.5	168.9	61.9	0	0	0	0	109.1
106	D	29.1	Very low	27.9	Very low	164 Å²	164	135.4 Å²	135.4	88%	0.877	76%	0.759	S	S	*	*			trans	-65.3	143.6	-175.8	-64.1	-72.8	0	0	0	113.1
107	G	29.4	Very low	28.5	Very low	74 Å²	74	135 Å²	135	76%	0.763	75%	0.747	S	S	*	*			trans	-148.5	83.3	178.9	0	0	0	0	0	110.8	N109	G107-N109 PolarHBondContact O-N 2.88Å
108	N	26.1	Very low	29.2	Very low	157 Å²	157	135.7 Å²	135.7	84%	0.84	75%	0.751	S	S	*	*			trans	-56	125	175.3	-70.4	-56.3	0	0	0	111.1
109	N	25.6	Very low	30.1	Very low	152 Å²	152	134 Å²	134	81%	0.813	74%	0.742	S	S	*	*			trans	-167.2	145.5	144.2	-98.1	-40.2	0	0	0	112.1	G107 I111	G107-N109 PolarHBondContact O-N 2.88Å; N109-I111 PolarHBondContact O-N 3.09Å
110	S	24.5	Very low	31.7	Very low	129 Å²	129	129.1 Å²	129.1	90%	0.902	72%	0.715	S	S	*	*			trans	-76.8	107.5	-175.5	-51.6	0	0	0	0	111.8
111	I	24.2	Very low	33.3	Very low	145 Å²	145	126.6 Å²	126.6	74%	0.744	70%	0.702	S	S	*	*			trans	-132.8	138.4	179.4	-54.1	-178.4	0	0	0	110.5	N109	N109-I111 PolarHBondContact O-N 3.09Å
112	Q	25.1	Very low	35.4	Very low	161 Å²	161	124 Å²	124	75%	0.752	68%	0.682	S	S	*	*			trans	-62.6	140.3	174.9	-65.2	161.4	-26	0	0	110.5	N114	Q112-N114 PolarHBondContact O-N 3.3Å
113	Q	26.2	Very low	37.8	Very low	169 Å²	169	120 Å²	120	79%	0.79	66%	0.663	S	S	*	*			trans	-74.5	71.3	179.2	-72.7	-172.3	-10	0	0	112.6	N115	Q113-N115 VanDerWaalsContact C-N 3.32Å; Q113-N115 PolarHBondContact O-N 2.85Å
114	N	26.5	Very low	40.1	Very low	133 Å²	133	117 Å²	117	71%	0.711	65%	0.648	S	S	*	*			trans	-69.2	91.7	162.5	-73	-27.8	0	0	0	108.3	Q112 S116	Q112-N114 PolarHBondContact O-N 3.3Å; N114-S116 PolarHBondContact O-N 2.86Å
115	N	33.4	Very low	42.3	Very low	90 Å²	90	109.1 Å²	109.1	48%	0.481	61%	0.606	S	S	.	*			trans	-73.1	59.1	-174.9	-76.1	-28	0	0	0	113.5	Q113 F117	Q113-N115 VanDerWaalsContact C-N 3.32Å; Q113-N115 PolarHBondContact O-N 2.85Å; N115-F117 HydrophobicContact CB-CD2 3.95Å; N115-F117 HydrophobicContact CB-CE2 3.97Å; N115-F117 PolarHBondContact O-N 2.89Å
116	S	29.9	Very low	43.5	Very low	110 Å²	110	104.6 Å²	104.6	77%	0.769	58%	0.577	S	S	*	*			trans	-72.4	72.7	161	-69.3	0	0	0	0	109.6	N114	N114-S116 PolarHBondContact O-N 2.86Å
117	F	42.8	Very low	45	Very low	121 Å²	121	102.8 Å²	102.8	53%	0.531	57%	0.567	S	S	.	*			trans	-70.6	128.4	169.4	-81.7	-79.9	0	0	0	109.9	N115 N119	N115-F117 HydrophobicContact CB-CD2 3.95Å; N115-F117 HydrophobicContact CB-CE2 3.97Å; N115-F117 PolarHBondContact O-N 2.89Å; F117-N119 PolarHBondContact O-N 3.06Å
118	D	41.1	Very low	46.5	Very low	142 Å²	142	102.1 Å²	102.1	76%	0.759	55%	0.546	S	S	*	.			trans	-61.1	109.9	179.6	-94.5	-61.1	0	0	0	112.2	I120	D118-I120 PolarHBondContact O-N 2.85Å
119	N	46	Very low	48	Very low	75 Å²	75	97.1 Å²	97.1	40%	0.401	52%	0.519	S	S	.	.			trans	52.1	58.2	142.1	-72.2	-66	0	0	0	115.4	F117 K121 Y347	F117-N119 PolarHBondContact O-N 3.06Å; N119-K121 PolarHBondContact O-N 3.17Å; N119-Y347 HydrophobicContact CB-CE2 3.65Å; N119-Y347 VanDerWaalsContact O-CE2 3.31Å; N119-Y347 WeakPolarHBondContact O-CE2 3.17Å
120	I	60.8	Low	48.7	Very low	30 Å²	30	95 Å²	95	15%	0.154	51%	0.508	C	S	.	.			trans	-60.3	112.2	174	-55.4	170.3	0	0	0	109.9	D118 F323 Q324 V325 Y351	D118-I120 PolarHBondContact O-N 2.85Å; I120-F323 HydrophobicContact CB-CD1 4.39Å; I120-F323 HydrophobicContact CG2-CB 4.45Å; I120-F323 HydrophobicContact CG2-CD1 3.78Å; I120-Q324 WeakPolarHBondContact CG2-O 3.41Å; I120-V325 HydrophobicContact CD1-CB 4.42Å; I120-V325 HydrophobicContact CD1-CG2 4.18Å; I120-Y351 HydrophobicContact CD1-CE1 4.17Å; I120-Y351 WeakPolarHBondContact CD1-OH 3.17Å
121	K	65.5	Low	49.3	Very low	124 Å²	124	94.5 Å²	94.5	54%	0.539	50%	0.504	S	S	.	.			trans	-81.8	150.3	168.3	-67	178.9	-178.6	174.1	0	109.7	N119 L123 Y347	N119-K121 PolarHBondContact O-N 3.17Å; K121-L123 PolarHBondContact O-N 3.5Å; K121-Y347 HydrophobicContact CB-CD2 4.36Å; K121-Y347 HydrophobicContact CD-CE2 4.04Å; K121-Y347 VanDerWaalsContact CE-CE2 3.44Å; K121-Y347 WeakPolarHBondContact CE-OH 3.26Å; K121-Y347 HydrophobicContact CG-CD2 3.49Å; K121-Y347 VanDerWaalsContact CG-CD2 3.49Å; K121-Y347 HydrophobicContact CG-CE2 3.29Å
122	P	74.3	Confident	50	Low	53 Å²	53	92.8 Å²	92.8	34%	0.344	51%	0.505	S	S	.	.			trans	-61.2	131.3	165.8	27.4	-33.7	0	0	0	109.4	I322 F323	P122-I322 CarbonylContact C-O 3.55Å; P122-I322 WeakPolarHBondContact CA-O 3.45Å; P122-F323 HydrophobicContact CB-CE2 4.4Å; P122-F323 HydrophobicContact CB-CZ 4.26Å
123	L	78.3	Confident	50.7	Low	69 Å²	69	88.6 Å²	88.6	36%	0.361	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.6	179.8	-59.9	176.6	0	0	0	109.4	K121 L125 L128 I322	K121-L123 PolarHBondContact O-N 3.5Å; L123-L125 PolarHBondContact O-N 3.27Å; L123-L128 HydrophobicContact CB-CD1 4.04Å; L123-L128 HydrophobicContact CD1-CD1 3.86Å; L123-L128 HydrophobicContact CD1-CD2 4.26Å; L123-L128 HydrophobicContact CD1-CG 4.4Å; L123-I322 HydrophobicContact CB-CG1 4.46Å; L123-I322 PolarHBondContact N-O 2.94Å; L123-I322 VanDerWaalsContact O-CG1 3.29Å; L123-I322 WeakPolarHBondContact O-CG1 3.42Å; L123-I322 PolarHBondContact O-N 3.49Å
124	I	75.6	Confident	51.5	Low	78 Å²	78	87.8 Å²	87.8	40%	0.4	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.8	168.4	-63	172.7	0	0	0	107.3	G126 N127 K318 L321	I124-G126 PolarHBondContact O-N 3.18Å; I124-G126 VanDerWaalsContact O-N 3.08Å; I124-N127 WeakPolarHBondContact O-CB 3.28Å; I124-N127 PolarHBondContact O-N 3.11Å; I124-K318 WeakPolarHBondContact CG2-O 3.32Å; I124-L321 HydrophobicContact CG1-CD2 3.75Å
125	L	72.3	Confident	52.5	Low	4 Å²	4	87.9 Å²	87.9	2%	0.021	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35.5	-174.1	-174.5	77.1	0	0	0	113.1	L123 N127 L128 I129 L316 N317 D320 I322 L330	L123-L125 PolarHBondContact O-N 3.27Å; L125-N127 PolarHBondContact O-N 3.02Å; L125-L128 WeakPolarHBondContact O-CA 3.33Å; L125-L128 WeakPolarHBondContact O-CB 3.26Å; L125-L128 PolarHBondContact O-N 3.41Å; L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD2-CD1 3.72Å; L125-I129 HydrophobicContact CG-CD1 3.67Å; L125-I129 HydrophobicContact CG-CG1 4.26Å; L125-I129 PolarHBondContact O-N 3.09Å; L125-L316 HydrophobicContact CD1-CD1 4.4Å; L125-L316 HydrophobicContact CD2-CB 3.64Å; L125-N317 WeakPolarHBondContact CB-O 3.29Å; L125-N317 VanDerWaalsContact CD2-O 3.24Å; L125-N317 WeakPolarHBondContact CD2-O 3.37Å; L125-D320 PolarHBondContact N-O 3.37Å; L125-D320 VanDerWaalsContact N-O 3.15Å; L125-I322 HydrophobicContact CB-CG1 4.45Å; L125-I322 HydrophobicContact CD1-CD1 3.64Å; L125-I322 HydrophobicContact CD1-CG1 4.31Å; L125-L330 HydrophobicContact CD1-CD1 3.95Å
126	G	55.9	Low	53.3	Low	16 Å²	16	87.6 Å²	87.6	17%	0.165	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-54.8	-34	178.9	0	0	0	0	0	113.6	I124 L128 I129 K318	I124-G126 PolarHBondContact O-N 3.18Å; I124-G126 VanDerWaalsContact O-N 3.08Å; G126-L128 PolarHBondContact O-N 3.01Å; G126-I129 CarbonylContact O-C 3.48Å; G126-I129 PolarHBondContact O-N 2.9Å; G126-K318 WeakPolarHBondContact CA-O 3.45Å; G126-K318 PolarHBondContact N-O 2.78Å
127	N	61.8	Low	54.5	Low	126 Å²	126	86.5 Å²	86.5	67%	0.674	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-76.3	-12.4	179.5	-57.6	10.8	0	0	0	112.5	I124 L125	I124-N127 WeakPolarHBondContact O-CB 3.28Å; I124-N127 PolarHBondContact O-N 3.11Å; L125-N127 PolarHBondContact O-N 3.02Å
128	L	60.3	Low	55.2	Low	61 Å²	61	82.7 Å²	82.7	32%	0.319	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-101.3	-1.9	173.4	-66.5	165.2	0	0	0	112.8	L123 L125 G126 I322	L123-L128 HydrophobicContact CB-CD1 4.04Å; L123-L128 HydrophobicContact CD1-CD1 3.86Å; L123-L128 HydrophobicContact CD1-CD2 4.26Å; L123-L128 HydrophobicContact CD1-CG 4.4Å; L125-L128 WeakPolarHBondContact O-CA 3.33Å; L125-L128 WeakPolarHBondContact O-CB 3.26Å; L125-L128 PolarHBondContact O-N 3.41Å; G126-L128 PolarHBondContact O-N 3.01Å; L128-I322 HydrophobicContact CD1-CD1 3.88Å
129	I	57.1	Low	56	Low	51 Å²	51	85 Å²	85	26%	0.262	44%	0.442	S	S	.	.	S	Bend	trans	-129.4	52	177.5	-46.3	176.8	0	0	0	107.9	L125 G126 S131	L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD2-CD1 3.72Å; L125-I129 HydrophobicContact CG-CD1 3.67Å; L125-I129 HydrophobicContact CG-CG1 4.26Å; L125-I129 PolarHBondContact O-N 3.09Å; G126-I129 CarbonylContact O-C 3.48Å; G126-I129 PolarHBondContact O-N 2.9Å; I129-S131 PolarHBondContact O-N 2.97Å
130	D	40.8	Very low	56.6	Low	109 Å²	109	82.1 Å²	82.1	58%	0.583	43%	0.427	S	S	*	.			trans	-78.2	114.1	-174	-163.8	7	0	0	0	111.5	S132	D130-S132 VanDerWaalsContact C-N 3.27Å; D130-S132 PolarHBondContact O-N 3.42Å
131	S	36.7	Very low	56.6	Low	118 Å²	118	82.9 Å²	82.9	83%	0.825	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.9	-17.3	150.7	-48.4	0	0	0	0	124.2	I129	I129-S131 PolarHBondContact O-N 2.97Å
132	S	39.1	Very low	56.3	Low	109 Å²	109	80.8 Å²	80.8	76%	0.762	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-18	-175.4	58.8	0	0	0	0	115.2	D130 E134	D130-S132 VanDerWaalsContact C-N 3.27Å; D130-S132 PolarHBondContact O-N 3.42Å; S132-E134 VanDerWaalsContact C-N 3.3Å; S132-E134 PolarHBondContact O-N 2.75Å
133	D	40.9	Very low	55.8	Low	73 Å²	73	81 Å²	81	39%	0.39	42%	0.424	S	S	.	.			trans	-71.7	78.1	172	-111.5	-11.4	0	0	0	110.5	M135 K293	D133-M135 PolarHBondContact O-N 2.62Å; D133-K293 WeakPolarHBondContact OD2-CE 3.38Å; D133-K293 WeakPolarHBondContact OD2-CG 3.23Å
134	E	41.2	Very low	54.3	Low	152 Å²	152	81 Å²	81	71%	0.71	43%	0.429	S	S	*	.			trans	-58.6	132.1	170.3	-80.6	-155.7	131.7	0	0	110.4	S132 K136	S132-E134 VanDerWaalsContact C-N 3.3Å; S132-E134 PolarHBondContact O-N 2.75Å; E134-K136 HydrophobicContact CB-CG 4.31Å; E134-K136 PolarHBondContact O-N 2.92Å
135	M	47.3	Very low	53.2	Low	134 Å²	134	79.8 Å²	79.8	66%	0.66	43%	0.426	S	S	*	.			trans	-72	67.8	179.5	-70.9	-174.1	165.8	0	0	112.3	D133 N137	D133-M135 PolarHBondContact O-N 2.62Å; M135-N137 VanDerWaalsContact C-N 3.34Å; M135-N137 PolarHBondContact O-N 2.79Å; M135-N137 PolarHBondContact O-ND2 3.47Å
136	K	51.8	Low	52	Low	84 Å²	84	87.6 Å²	87.6	37%	0.365	46%	0.46	S	S	.	.			trans	-68.8	88.5	179.2	-69.9	-169.4	173.4	-174.1	0	110.9	E134 Y138 D266	E134-K136 HydrophobicContact CB-CG 4.31Å; E134-K136 PolarHBondContact O-N 2.92Å; K136-Y138 VanDerWaalsContact C-N 3.29Å; K136-Y138 HydrophobicContact CB-CD1 4.28Å; K136-Y138 HydrophobicContact CB-CD2 4.33Å; K136-Y138 HydrophobicContact CB-CE1 3.75Å; K136-Y138 HydrophobicContact CB-CE2 3.88Å; K136-Y138 HydrophobicContact CD-CE1 3.7Å; K136-Y138 HydrophobicContact CD-CE2 4.45Å; K136-Y138 VanDerWaalsContact CD-CZ 3.48Å; K136-Y138 WeakPolarHBondContact CD-OH 3.17Å; K136-Y138 HydrophobicContact CG-CE1 4.27Å; K136-Y138 WeakPolarHBondContact O-CD2 3.35Å; K136-Y138 PolarHBondContact O-N 2.9Å; K136-D266 IonicContact NZ-OD2 2.67Å; K136-D266 PolarHBondContact NZ-OD2 3.38Å
137	N	54.8	Low	51.8	Low	88 Å²	88	91 Å²	91	47%	0.471	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	83.3	168.1	-77.1	-94.5	0	0	0	108.9	M135 R139 F291	M135-N137 VanDerWaalsContact C-N 3.34Å; M135-N137 PolarHBondContact O-N 2.79Å; M135-N137 PolarHBondContact O-ND2 3.47Å; N137-R139 PolarHBondContact O-N 3.27Å; N137-F291 WeakPolarHBondContact OD1-CE1 3.42Å
138	Y	57.7	Low	51.5	Low	40 Å²	40	87.1 Å²	87.1	16%	0.157	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.7	-178.4	-64	-60.6	0	0	0	111.3	K136 C140 M265 D266 T289 C290 V292	K136-Y138 VanDerWaalsContact C-N 3.29Å; K136-Y138 HydrophobicContact CB-CD1 4.28Å; K136-Y138 HydrophobicContact CB-CD2 4.33Å; K136-Y138 HydrophobicContact CB-CE1 3.75Å; K136-Y138 HydrophobicContact CB-CE2 3.88Å; K136-Y138 HydrophobicContact CD-CE1 3.7Å; K136-Y138 HydrophobicContact CD-CE2 4.45Å; K136-Y138 VanDerWaalsContact CD-CZ 3.48Å; K136-Y138 WeakPolarHBondContact CD-OH 3.17Å; K136-Y138 HydrophobicContact CG-CE1 4.27Å; K136-Y138 WeakPolarHBondContact O-CD2 3.35Å; K136-Y138 PolarHBondContact O-N 2.9Å; Y138-C140 PolarHBondContact O-N 2.95Å; Y138-M265 HydrophobicContact CD1-CG 3.98Å; Y138-M265 HydrophobicContact CD2-CG 3.6Å; Y138-M265 HydrophobicContact CD2-SD 3.31Å; Y138-M265 WeakPolarHBondContact CD2-SD 3.47Å; Y138-M265 HydrophobicContact CE1-CG 4.48Å; Y138-M265 HydrophobicContact CE2-CG 4.1Å; Y138-M265 HydrophobicContact CE2-SD 4.03Å; Y138-M265 HydrophobicContact CG-CG 3.48Å; Y138-M265 VanDerWaalsContact CG-CG 3.48Å; Y138-M265 HydrophobicContact CG-SD 3.66Å; Y138-D266 HydrophobicContact CD1-CB 4.16Å; Y138-D266 HydrophobicContact CE1-CB 3.4Å; Y138-D266 WeakPolarHBondContact CE1-OD1 2.9Å; Y138-D266 PolarHBondContact OH-OD2 3.08Å; Y138-T289 VanDerWaalsContact O-CA 3.28Å; Y138-T289 WeakPolarHBondContact O-CA 3.36Å; Y138-C290 PolarHBondContact N-O 2.82Å; Y138-C290 PolarHBondContact O-N 2.91Å; Y138-V292 HydrophobicContact CD2-CB 4.24Å; Y138-V292 HydrophobicContact CD2-CG2 3.7Å; Y138-V292 HydrophobicContact CE2-CB 3.79Å; Y138-V292 HydrophobicContact CE2-CG2 3.57Å
139	R	57	Low	51	Low	192 Å²	192	88.1 Å²	88.1	73%	0.725	46%	0.455	S	S	*	.			trans	-74.8	103.9	170.8	-176.7	-178	175.6	178.9	-3.9	109.1	N137 T141 K288	N137-R139 PolarHBondContact O-N 3.27Å; R139-T141 HydrophobicContact CG-CG2 4.09Å; R139-T141 PolarHBondContact O-N 3.17Å; R139-T141 VanDerWaalsContact O-N 3.11Å; R139-K288 WeakPolarHBondContact CA-O 3.38Å
140	C	59.7	Low	50.8	Low	13 Å²	13	89.3 Å²	89.3	9%	0.088	47%	0.468	C	S	.	.			trans	-57.7	117.6	169.3	-54	0	0	0	0	108.4	Y138 L263 E287 K288	Y138-C140 PolarHBondContact O-N 2.95Å; C140-L263 HydrophobicContact CB-CD2 4.49Å; C140-E287 WeakPolarHBondContact CB-O 3.47Å; C140-K288 PolarHBondContact N-O 2.81Å
141	T	59.3	Low	51.4	Low	46 Å²	46	85.2 Å²	85.2	28%	0.282	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.6	179	45.4	0	0	0	0	109.4	R139 F143 C264	R139-T141 HydrophobicContact CG-CG2 4.09Å; R139-T141 PolarHBondContact O-N 3.17Å; R139-T141 VanDerWaalsContact O-N 3.11Å; T141-F143 PolarHBondContact O-N 3.28Å; T141-C264 PolarHBondContact O-N 2.76Å; T141-C264 PolarHBondContact OG1-O 3.1Å
142	N	59.9	Low	52.1	Low	81 Å²	81	83.1 Å²	83.1	43%	0.433	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	111.9	166.9	-64.4	2.8	0	0	0	107	L263	N142-L263 WeakPolarHBondContact OD1-CD2 3.45Å
143	F	63.1	Low	52.3	Low	57 Å²	57	83 Å²	83	25%	0.25	41%	0.414	C	S	.	.			trans	-70.2	134.7	176.8	-97.2	-110.8	0	0	0	110.4	T141 L147 L261 F262 C264	T141-F143 PolarHBondContact O-N 3.28Å; F143-L147 HydrophobicContact CD1-CB 4.25Å; F143-L147 HydrophobicContact CD1-CD1 3.93Å; F143-L147 HydrophobicContact CD1-CD2 3.98Å; F143-L147 HydrophobicContact CD1-CG 4.27Å; F143-L147 HydrophobicContact CE1-CD1 4.03Å; F143-L147 HydrophobicContact CE1-CD2 3.85Å; F143-L147 HydrophobicContact CE1-CG 4.46Å; F143-L261 WeakPolarHBondContact O-CD2 3.35Å; F143-F262 HydrophobicContact CB-CD2 4.18Å; F143-F262 HydrophobicContact CB-CE1 4.18Å; F143-F262 HydrophobicContact CB-CE2 3.73Å; F143-F262 HydrophobicContact CB-CZ 3.74Å; F143-F262 HydrophobicContact CD1-CE2 4.41Å; F143-F262 HydrophobicContact CD1-CZ 4.34Å; F143-F262 HydrophobicContact CD2-CE2 4.43Å; F143-F262 AromaticContact CG-CE2 3.92Å; F143-F262 HydrophobicContact CG-CE2 3.92Å; F143-F262 HydrophobicContact CG-CZ 4.13Å; F143-F262 PolarHBondContact N-O 3.03Å; F143-C264 HydrophobicContact CD2-CB 3.73Å; F143-C264 HydrophobicContact CE2-CB 3.52Å; F143-C264 HydrophobicContact CZ-CB 4.42Å
144	C	48.1	Very low	52.5	Low	68 Å²	68	85.7 Å²	85.7	46%	0.459	43%	0.425	S	S	.	.			trans	-76.6	145.6	-172.8	-176.4	0	0	0	0	110.6	K146 L147	C144-K146 PolarHBondContact O-N 2.65Å; C144-L147 PolarHBondContact O-N 3.08Å
145	P	52.1	Low	52.6	Low	54 Å²	54	84.4 Å²	84.4	35%	0.351	42%	0.42	S	S	.	.	H	α-helix	trans	-55.7	-11.5	174.1	-30.1	36.9	0	0	0	115.8	W148 N149 L261	P145-W148 PolarHBondContact O-N 3.04Å; P145-N149 WeakPolarHBondContact O-CB 3.38Å; P145-N149 PolarHBondContact O-N 3.15Å; P145-N149 PolarHBondContact O-OD1 2.8Å; P145-L261 HydrophobicContact CG-CD2 4.05Å
146	K	46.6	Very low	52.1	Low	168 Å²	168	83.2 Å²	83.2	73%	0.73	41%	0.413	S	S	*	.	H	α-helix	trans	-65.3	-40.3	169.6	-68.2	-170.9	176.6	-171.9	0	112.9	C144 N149 S150	C144-K146 PolarHBondContact O-N 2.65Å; K146-N149 PolarHBondContact O-N 2.77Å; K146-S150 PolarHBondContact O-N 3.22Å; K146-S150 PolarHBondContact O-OG 3.31Å
147	L	52.9	Low	51.2	Low	88 Å²	88	88 Å²	88	46%	0.461	43%	0.434	S	S	.	.	H	α-helix	trans	-72.4	-38.4	172.9	-92.4	109.3	0	0	0	111.5	F143 C144 N149 S150 V151	F143-L147 HydrophobicContact CD1-CB 4.25Å; F143-L147 HydrophobicContact CD1-CD1 3.93Å; F143-L147 HydrophobicContact CD1-CD2 3.98Å; F143-L147 HydrophobicContact CD1-CG 4.27Å; F143-L147 HydrophobicContact CE1-CD1 4.03Å; F143-L147 HydrophobicContact CE1-CD2 3.85Å; F143-L147 HydrophobicContact CE1-CG 4.46Å; C144-L147 PolarHBondContact O-N 3.08Å; L147-N149 PolarHBondContact O-N 3.5Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-S150 VanDerWaalsContact O-N 3.11Å; L147-V151 WeakPolarHBondContact O-CG2 3.39Å; L147-V151 PolarHBondContact O-N 3Å
148	W	54	Low	50.3	Low	44 Å²	44	88.9 Å²	88.9	17%	0.167	44%	0.444	C	S	.	.	H	α-helix	trans	-55.3	-41.4	170.6	-178.7	-92.7	0	0	0	111.4	P145 V151 K152 I257 F262	P145-W148 PolarHBondContact O-N 3.04Å; W148-V151 PolarHBondContact O-N 3.33Å; W148-K152 WeakPolarHBondContact O-CB 3.42Å; W148-K152 PolarHBondContact O-N 3.38Å; W148-I257 WeakPolarHBondContact CZ3-O 3.49Å; W148-F262 HydrophobicContact CE3-CE1 4.4Å
149	N	50.4	Low	49	Very low	81 Å²	81	95.9 Å²	95.9	43%	0.433	48%	0.481	S	S	.	.	H	α-helix	trans	-72.5	-30.9	176.3	-70.8	5.8	0	0	0	113.3	P145 K146 L147 N153	P145-N149 WeakPolarHBondContact O-CB 3.38Å; P145-N149 PolarHBondContact O-N 3.15Å; P145-N149 PolarHBondContact O-OD1 2.8Å; K146-N149 PolarHBondContact O-N 2.77Å; L147-N149 PolarHBondContact O-N 3.5Å; N149-N153 WeakPolarHBondContact O-CB 3.3Å; N149-N153 PolarHBondContact O-N 3.04Å; N149-N153 PolarHBondContact O-OD1 2.82Å; N149-N153 VanDerWaalsContact O-OD1 3.05Å
150	S	52.7	Low	47.8	Very low	76 Å²	76	92.8 Å²	92.8	53%	0.531	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-50.6	168.9	-69.1	0	0	0	0	111.2	K146 L147 K152 N153 E154	K146-S150 PolarHBondContact O-N 3.22Å; K146-S150 PolarHBondContact O-OG 3.31Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-S150 VanDerWaalsContact O-N 3.11Å; S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 2.91Å; S150-N153 PolarHBondContact O-N 2.98Å; S150-E154 PolarHBondContact O-N 3.36Å
151	V	54	Low	46.6	Very low	24 Å²	24	99.4 Å²	99.4	15%	0.145	51%	0.512	C	S	.	.	H	α-helix	trans	-58.1	-42.5	176.2	173.7	0	0	0	0	111.3	L147 W148 M155 I246	L147-V151 WeakPolarHBondContact O-CG2 3.39Å; L147-V151 PolarHBondContact O-N 3Å; W148-V151 PolarHBondContact O-N 3.33Å; V151-M155 HydrophobicContact CG1-CE 4.28Å; V151-M155 WeakPolarHBondContact O-CG 3.34Å; V151-M155 PolarHBondContact O-N 3.19Å; V151-I246 HydrophobicContact CG1-CB 4.08Å; V151-I246 HydrophobicContact CG1-CD1 4.26Å; V151-I246 HydrophobicContact CG1-CG2 4.38Å; V151-I246 HydrophobicContact CG2-CB 4.49Å; V151-I246 HydrophobicContact CG2-CD1 4.26Å; V151-I246 HydrophobicContact CG2-CG2 4.32Å
152	K	50.9	Low	45.3	Very low	74 Å²	74	103.9 Å²	103.9	32%	0.322	53%	0.534	S	S	.	.	H	α-helix	trans	-73.7	-32.9	-180	-174.8	168.7	-178.5	-75.7	0	113.4	W148 S150 E154 M155 E156	W148-K152 WeakPolarHBondContact O-CB 3.42Å; W148-K152 PolarHBondContact O-N 3.38Å; S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 2.91Å; K152-E154 VanDerWaalsContact C-N 3.31Å; K152-M155 CarbonylContact O-C 3.54Å; K152-M155 WeakPolarHBondContact O-CA 3.38Å; K152-M155 WeakPolarHBondContact O-CB 3.3Å; K152-M155 PolarHBondContact O-N 3.23Å; K152-M155 VanDerWaalsContact O-N 3.12Å; K152-E156 WeakPolarHBondContact CE-OE1 3.43Å; K152-E156 HydrophobicContact CG-CG 4.38Å; K152-E156 IonicContact NZ-OE1 2.73Å; K152-E156 PolarHBondContact NZ-OE1 3.11Å; K152-E156 IonicContact NZ-OE2 3.42Å; K152-E156 PolarHBondContact NZ-OE2 3.17Å; K152-E156 WeakPolarHBondContact O-CB 3.08Å; K152-E156 PolarHBondContact O-N 2.99Å
153	N	44	Very low	44.1	Very low	107 Å²	107	104.7 Å²	104.7	57%	0.572	54%	0.543	S	S	*	.	H	α-helix	trans	-72.1	-26.4	176.8	-73.4	11	0	0	0	112.1	N149 S150 M155	N149-N153 WeakPolarHBondContact O-CB 3.3Å; N149-N153 PolarHBondContact O-N 3.04Å; N149-N153 PolarHBondContact O-OD1 2.82Å; N149-N153 VanDerWaalsContact O-OD1 3.05Å; S150-N153 PolarHBondContact O-N 2.98Å; N153-M155 VanDerWaalsContact C-N 3.33Å
154	E	46	Very low	42.9	Very low	129 Å²	129	108 Å²	108	60%	0.603	57%	0.57	S	S	*	*	H	α-helix	trans	-71.8	-28.8	167.9	-70.2	177.3	166.1	0	0	111.8	S150 K152	S150-E154 PolarHBondContact O-N 3.36Å; K152-E154 VanDerWaalsContact C-N 3.31Å
155	M	42.5	Very low	42	Very low	124 Å²	124	112 Å²	112	61%	0.611	59%	0.586	S	S	*	*	H	α-helix	trans	-80.2	-21.5	173.4	-67.3	177	169.3	0	0	114.5	V151 K152 N153	V151-M155 HydrophobicContact CG1-CE 4.28Å; V151-M155 WeakPolarHBondContact O-CG 3.34Å; V151-M155 PolarHBondContact O-N 3.19Å; K152-M155 CarbonylContact O-C 3.54Å; K152-M155 WeakPolarHBondContact O-CA 3.38Å; K152-M155 WeakPolarHBondContact O-CB 3.3Å; K152-M155 PolarHBondContact O-N 3.23Å; K152-M155 VanDerWaalsContact O-N 3.12Å; N153-M155 VanDerWaalsContact C-N 3.33Å
156	E	36.3	Very low	41.1	Very low	110 Å²	110	115.1 Å²	115.1	51%	0.514	61%	0.606	S	S	.	*			trans	-106.7	50.2	-175.4	-73.8	-176.9	152.5	0	0	113.3	K152 P158	K152-E156 WeakPolarHBondContact CE-OE1 3.43Å; K152-E156 HydrophobicContact CG-CG 4.38Å; K152-E156 IonicContact NZ-OE1 2.73Å; K152-E156 PolarHBondContact NZ-OE1 3.11Å; K152-E156 IonicContact NZ-OE2 3.42Å; K152-E156 PolarHBondContact NZ-OE2 3.17Å; K152-E156 WeakPolarHBondContact O-CB 3.08Å; K152-E156 PolarHBondContact O-N 2.99Å; E156-P158 WeakPolarHBondContact O-CD 3.24Å
157	F	33.2	Very low	40.5	Very low	183 Å²	183	115.1 Å²	115.1	80%	0.803	61%	0.613	S	S	*	*			trans	-69.4	120.2	159.9	-98.8	-84.4	0	0	0	109.9
158	P	36.5	Very low	39.4	Very low	107 Å²	107	114.8 Å²	114.8	70%	0.695	62%	0.622	S	S	*	*			trans	-74	132.4	-177.7	29.1	-34	0	0	0	111.4	E156 N160	E156-P158 WeakPolarHBondContact O-CD 3.24Å; P158-N160 VanDerWaalsContact C-N 3.3Å; P158-N160 PolarHBondContact O-N 3.26Å
159	M	29.1	Very low	38.4	Very low	187 Å²	187	120.5 Å²	120.5	92%	0.921	66%	0.656	S	S	*	*			trans	-66.7	91.7	161.7	-81.4	-158.1	173.8	0	0	109.4	I161	M159-I161 PolarHBondContact O-N 3.09Å
160	N	32.1	Very low	37.3	Very low	128 Å²	128	123.5 Å²	123.5	68%	0.684	67%	0.672	S	S	*	*			trans	-78.7	90.6	-179.4	-166.2	14.3	0	0	0	110.7	P158 N162	P158-N160 VanDerWaalsContact C-N 3.3Å; P158-N160 PolarHBondContact O-N 3.26Å; N160-N162 PolarHBondContact O-N 3.21Å
161	I	34	Very low	36.4	Very low	151 Å²	151	125.1 Å²	125.1	77%	0.774	68%	0.683	S	S	*	*			trans	-74.7	111.3	172.6	-60	175.8	0	0	0	108	M159 P163	M159-I161 PolarHBondContact O-N 3.09Å; I161-P163 WeakPolarHBondContact O-CD 3.33Å
162	N	32.2	Very low	35.3	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57.3	125.9	-170.4	-63.4	-56.2	0	0	0	113.9	N160	N160-N162 PolarHBondContact O-N 3.21Å
163	P	36	Very low	34.4	Very low	97 Å²	97	134.5 Å²	134.5	63%	0.63	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-79.5	147.7	154.6	33.5	-31.8	0	0	0	110.6	I161	I161-P163 WeakPolarHBondContact O-CD 3.33Å
164	P	37.1	Very low	33.8	Very low	126 Å²	126	134.9 Å²	134.9	82%	0.818	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-76	144.6	-179.9	30.5	-34.7	0	0	0	112.9
165	I	29	Very low	33.1	Very low	154 Å²	154	134.9 Å²	134.9	79%	0.79	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-98.5	126	-176.4	-62.3	168.2	0	0	0	111.1
166	P	34.5	Very low	32.7	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-83.5	150	157.7	-12.3	30.5	0	0	0	111.9
167	I	32.7	Very low	32.4	Very low	168 Å²	168	137.8 Å²	137.8	86%	0.862	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-86	150.8	-164.9	-66	167.4	0	0	0	112.9
168	A	30.3	Very low	32.3	Very low	80 Å²	80	134 Å²	134	66%	0.661	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-72.2	170.7	-176.4	0	0	0	0	0	115.1
169	N	32.1	Very low	32.2	Very low	164 Å²	164	135.4 Å²	135.4	88%	0.877	75%	0.75	S	S	*	*			trans	-148.3	151.1	148	-111.7	-40.1	0	0	0	111.8
170	N	28.4	Very low	32.3	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	74%	0.737	S	S	*	*			trans	-92.9	146.7	-166.4	-57.5	-53.9	0	0	0	113.7
171	S	33.1	Very low	32	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	74%	0.736	S	S	*	*			trans	176.8	148.1	149.6	-82.2	0	0	0	0	110
172	I	31.8	Very low	31.7	Very low	141 Å²	141	130.8 Å²	130.8	72%	0.723	73%	0.73	S	S	*	*			cis	-167.1	152.6	-27.8	-125.5	163	0	0	0	106.8
173	E	31.3	Very low	31.5	Very low	154 Å²	154	131.6 Å²	131.6	72%	0.72	72%	0.724	S	S	*	*			trans	70.2	126	159.9	-81.3	174.3	-137.4	0	0	124.8
174	N	32.9	Very low	31.1	Very low	114 Å²	114	134.8 Å²	134.8	61%	0.61	73%	0.73	S	S	*	*				83.1	106.2	127.7	-64.6	-22.9	0	0	0	123.6
175	N	29.2	Very low	30.8	Very low	130 Å²	130	137.8 Å²	137.8	70%	0.695	73%	0.731	S	S	*	*				52.8	111.7	124.8	-55.1	-26.4	0	0	0	120.4
176	H	34.2	Very low	31	Very low	162 Å²	162	135.8 Å²	135.8	75%	0.75	73%	0.726	S	S	*	*				-172.3	137.2	95.6	-102.3	-64.9	0	0	0	115
177	N	30.1	Very low	30.8	Very low	133 Å²	133	137.7 Å²	137.7	71%	0.711	72%	0.718	S	S	*	*			trans	59.1	153.6	140.4	-63.6	5.9	0	0	0	123.7
178	S	32.7	Very low	30.7	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	71%	0.706	S	S	*	*			trans	83.1	94.3	154	61.6	0	0	0	0	120
179	D	33	Very low	30.8	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	71%	0.714	S	S	*	*				79.5	110.1	110.6	-67.2	11.7	0	0	0	121.8
180	N	30.8	Very low	30.8	Very low	124 Å²	124	136.3 Å²	136.3	66%	0.663	71%	0.707	S	S	*	*				74.6	93.3	122.2	-62.4	-42.2	0	0	0	119
181	N	27.5	Very low	30.8	Very low	123 Å²	123	133.2 Å²	133.2	66%	0.658	70%	0.695	S	S	*	*				67.5	135.4	106	-77.3	48.4	0	0	0	121.4
182	D	27.8	Very low	30.9	Very low	122 Å²	122	134.8 Å²	134.8	65%	0.652	70%	0.695	S	S	*	*			trans	58.9	100.9	135.2	-49	-21.7	0	0	0	118.4
183	Y	26.6	Very low	31.2	Very low	158 Å²	158	133.4 Å²	133.4	62%	0.62	69%	0.689	S	S	*	*			trans	-122.5	80	145.5	-110.3	-87.3	0	0	0	110.9	I2	I2-Y183 HydrophobicContact CD1-CE1 3.89Å; I2-Y183 WeakPolarHBondContact CD1-OH 3.46Å; I2-Y183 HydrophobicContact CG1-CE1 4.35Å; I2-Y183 HydrophobicContact CG1-CE2 4.44Å; I2-Y183 WeakPolarHBondContact CG1-OH 3.36Å
184	E	27.8	Very low	31.2	Very low	164 Å²	164	129 Å²	129	77%	0.766	67%	0.674	S	S	*	*			trans	-54.5	143.4	148.7	-68.1	-169.8	109.5	0	0	109.3
185	F	30.5	Very low	31.2	Very low	190 Å²	190	128.1 Å²	128.1	83%	0.833	67%	0.669	S	S	*	*			trans	-134	103.1	161.7	-155.2	-92.3	0	0	0	110.5	R187	F185-R187 PolarHBondContact O-N 2.99Å
186	T	34.4	Very low	31.6	Very low	112 Å²	112	127.3 Å²	127.3	69%	0.687	67%	0.669	S	S	*	*			trans	-73.9	88.2	-166.9	48.8	0	0	0	0	113.5	S188	T186-S188 PolarHBondContact O-N 2.88Å
187	R	28.9	Very low	31.8	Very low	158 Å²	158	122.9 Å²	122.9	60%	0.596	65%	0.653	S	S	*	*			trans	4.7	94.3	149.2	-165.4	171	-175.9	140.2	-0.8	116.2	F185 E198	F185-R187 PolarHBondContact O-N 2.99Å; R187-E198 IonicContact CZ-OE1 3.77Å; R187-E198 IonicContact CZ-OE2 2.71Å; R187-E198 VanDerWaalsContact CZ-OE2 3.28Å; R187-E198 VanDerWaalsContact NH1-CD 3.34Å; R187-E198 IonicContact NH1-OE1 2.69Å; R187-E198 PolarHBondContact NH1-OE1 2.75Å; R187-E198 IonicContact NH1-OE2 2.77Å; R187-E198 PolarHBondContact NH1-OE2 2.97Å; R187-E198 IonicContact NH2-OE1 3.26Å; R187-E198 IonicContact NH2-OE2 2.67Å; R187-E198 PolarHBondContact NH2-OE2 3.47Å
188	S	30.8	Very low	32.1	Very low	89 Å²	89	121.7 Å²	121.7	62%	0.622	64%	0.644	S	S	*	*			trans	-157.1	145.6	155.1	55.8	0	0	0	0	112.1	T186	T186-S188 PolarHBondContact O-N 2.88Å
189	N	32.7	Very low	32.2	Very low	155 Å²	155	123.9 Å²	123.9	83%	0.829	64%	0.643	S	S	*	*	S	Bend	trans	73.4	15.9	-177.2	-48.5	-70.9	0	0	0	117.9
190	I	33.5	Very low	32.4	Very low	140 Å²	140	124 Å²	124	72%	0.718	64%	0.643	S	S	*	*			trans	-119.4	70	160.1	-50.4	-179.9	0	0	0	108.5
191	C	28.2	Very low	32.6	Very low	79 Å²	79	128.9 Å²	128.9	53%	0.534	65%	0.652	S	S	.	*			trans	-128.3	114.4	173.9	-70.3	0	0	0	0	109.1
192	N	34.6	Very low	33.1	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	65%	0.652	S	S	*	*	S	Bend	trans	167.5	-8.4	150.7	-90.5	4	0	0	0	112.6
193	L	37.4	Very low	33.4	Very low	111 Å²	111	128.7 Å²	128.7	58%	0.581	66%	0.657	S	S	*	*	S	Bend	trans	-127.6	-6.4	177.1	-138.8	73.3	0	0	0	115.7
194	C	32.4	Very low	33.7	Very low	61 Å²	61	125.5 Å²	125.5	41%	0.412	66%	0.658	S	S	.	*	S	Bend	trans	-102	2	179.4	-59.7	0	0	0	0	114.4	V196	C194-V196 VanDerWaalsContact C-N 3.35Å; C194-V196 PolarHBondContact O-N 3.32Å
195	N	33.3	Very low	34	Very low	96 Å²	96	123.3 Å²	123.3	51%	0.513	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	0.8	-175.2	-89.8	34.6	0	0	0	114.6
196	V	36.9	Very low	34.2	Very low	114 Å²	114	120 Å²	120	69%	0.691	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-28.6	-179.5	-177	0	0	0	0	111.9	C194	C194-V196 VanDerWaalsContact C-N 3.35Å; C194-V196 PolarHBondContact O-N 3.32Å
197	T	37.3	Very low	34.1	Very low	68 Å²	68	121.2 Å²	121.2	42%	0.417	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-27.7	-175.4	45.7	0	0	0	0	114.3	Q199 L245	T197-Q199 VanDerWaalsContact C-N 3.3Å; T197-Q199 PolarHBondContact O-N 3.4Å; T197-L245 HydrophobicContact CG2-CD1 4.31Å
198	E	36.5	Very low	34.4	Very low	109 Å²	109	119.5 Å²	119.5	51%	0.509	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-16.1	177.8	-77.7	-173.2	157.1	0	0	114.3	R187	R187-E198 IonicContact CZ-OE1 3.77Å; R187-E198 IonicContact CZ-OE2 2.71Å; R187-E198 VanDerWaalsContact CZ-OE2 3.28Å; R187-E198 VanDerWaalsContact NH1-CD 3.34Å; R187-E198 IonicContact NH1-OE1 2.69Å; R187-E198 PolarHBondContact NH1-OE1 2.75Å; R187-E198 IonicContact NH1-OE2 2.77Å; R187-E198 PolarHBondContact NH1-OE2 2.97Å; R187-E198 IonicContact NH2-OE1 3.26Å; R187-E198 IonicContact NH2-OE2 2.67Å; R187-E198 PolarHBondContact NH2-OE2 3.47Å
199	Q	35.5	Very low	34.5	Very low	147 Å²	147	121.7 Å²	121.7	69%	0.687	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-10.3	-179.1	-69.1	-167.2	-17.6	0	0	114.7	T197	T197-Q199 VanDerWaalsContact C-N 3.3Å; T197-Q199 PolarHBondContact O-N 3.4Å
200	L	36.2	Very low	34.7	Very low	141 Å²	141	119.4 Å²	119.4	74%	0.738	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-13.6	-179.6	-69.3	171.7	0	0	0	113.7
201	W	36	Very low	34.7	Very low	226 Å²	226	118.8 Å²	118.8	86%	0.856	69%	0.69	S	S	*	*	S	Bend	trans	-95.9	-7.1	180	-133.3	-60.1	0	0	0	114
202	S	37.9	Very low	34.9	Very low	93 Å²	93	119.9 Å²	119.9	65%	0.65	70%	0.698	S	S	*	*	S	Bend	trans	-97.4	18.1	-171.9	60.4	0	0	0	0	115
203	L	33.8	Very low	35	Very low	148 Å²	148	118.9 Å²	118.9	78%	0.775	70%	0.697	S	S	*	*	S	Bend	trans	-116.7	7.8	-171.7	-83.5	164	0	0	0	114.8
204	S	33.1	Very low	34.8	Very low	90 Å²	90	118.4 Å²	118.4	63%	0.629	70%	0.704	S	S	*	*	S	Bend	trans	-132.4	39.9	-168.5	47.2	0	0	0	0	113.9
205	S	33.2	Very low	34.9	Very low	118 Å²	118	120.8 Å²	120.8	83%	0.825	72%	0.721	S	S	*	*			trans	-150.7	67.2	175.8	-72.7	0	0	0	0	113.4
206	S	35.7	Very low	35	Very low	122 Å²	122	120.9 Å²	120.9	85%	0.853	73%	0.729	S	S	*	*			trans	-105.7	103.4	168.7	40	0	0	0	0	110.7
207	T	32.8	Very low	35.1	Very low	137 Å²	137	120.5 Å²	120.5	84%	0.84	73%	0.731	S	S	*	*			trans	-86.1	140	179.8	42.6	0	0	0	0	112.7
208	S	35.5	Very low	35.1	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	75%	0.753	S	S	*	*			trans	-139.4	113.2	161.1	51.1	0	0	0	0	110
209	T	31.3	Very low	35	Very low	136 Å²	136	126.4 Å²	126.4	83%	0.834	76%	0.764	S	S	*	*			trans	-109.6	125.3	-175.9	43.7	0	0	0	0	111.8
210	S	36.7	Very low	35.1	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	78%	0.775	S	S	*	*			trans	-153.5	101.6	164.6	58.4	0	0	0	0	112.6
211	T	35.4	Very low	34.9	Very low	128 Å²	128	124.9 Å²	124.9	79%	0.785	77%	0.772	S	S	*	*			trans	39.5	113.8	139.5	52.7	0	0	0	0	120.8
212	S	32.4	Very low	34.9	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	77%	0.768	S	S	*	*				33.3	135.4	128	63.8	0	0	0	0	120.1
213	T	34.9	Very low	34.7	Very low	123 Å²	123	125.2 Å²	125.2	76%	0.755	78%	0.776	S	S	*	*				-165.4	143.6	58.7	45.4	0	0	0	0	114.9
214	S	33.4	Very low	34.7	Very low	102 Å²	102	122.5 Å²	122.5	71%	0.713	77%	0.769	S	S	*	*			trans	43.4	145.6	143.1	63.8	0	0	0	0	124.8
215	S	34.7	Very low	34.7	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	78%	0.776	S	S	*	*			trans	66.5	145.3	156.4	45.1	0	0	0	0	118.8
216	S	35.2	Very low	34.6	Very low	98 Å²	98	123.1 Å²	123.1	69%	0.685	77%	0.774	S	S	*	*			cis	-169.1	166.4	-11.4	48.6	0	0	0	0	110.7
217	S	39.5	Very low	34.6	Very low	105 Å²	105	123 Å²	123	73%	0.734	77%	0.773	S	S	*	*			trans	62.2	149	162.1	39.9	0	0	0	0	117.6
218	E	36.8	Very low	34.5	Very low	186 Å²	186	124.5 Å²	124.5	87%	0.869	78%	0.775	S	S	*	*			cis	-157.3	155.5	-4.3	-123.5	174.3	175	0	0	110.2
219	P	36.2	Very low	34.2	Very low	115 Å²	115	123.3 Å²	123.3	75%	0.747	77%	0.767	S	S	*	*			trans	-123.1	135.9	-179.3	38.2	-24.8	0	0	0	116.1
220	L	36	Very low	34.3	Very low	175 Å²	175	124 Å²	124	92%	0.916	77%	0.765	S	S	*	*			trans	-144.6	135.6	161.9	-66.8	174.8	0	0	0	107.6
221	A	33.1	Very low	34.1	Very low	81 Å²	81	130.4 Å²	130.4	67%	0.669	77%	0.773	S	S	*	*			cis	108.6	157.5	27.7	0	0	0	0	0	111.7
222	I	35.3	Very low	34	Very low	152 Å²	152	132.3 Å²	132.3	78%	0.779	78%	0.778	S	S	*	*			trans	77.4	102.1	-170.5	-50.8	171.7	0	0	0	111.1
223	E	33.9	Very low	34.1	Very low	175 Å²	175	136.2 Å²	136.2	82%	0.818	79%	0.785	S	S	*	*				69.6	143.4	72.3	-67.9	179.6	169	0	0	114.3
224	S	33.2	Very low	34.1	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	79%	0.787	S	S	*	*			cis	-170.1	145.3	-20.4	54.9	0	0	0	0	109
225	S	33	Very low	34.2	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	79%	0.792	S	S	*	*			trans	53.7	145	164.8	49.4	0	0	0	0	119.7
226	S	31.4	Very low	34.1	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	79%	0.792	S	S	*	*			cis	-172.9	126.6	-6	46.4	0	0	0	0	110.1
227	S	35.3	Very low	34	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	79%	0.791	S	S	*	*			trans	-166.2	132.9	152.7	46	0	0	0	0	111.2
228	L	30.8	Very low	33.7	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	79%	0.79	S	S	*	*			trans	-69.9	141.2	153.7	-60.2	150.9	0	0	0	105.5
229	S	30.2	Very low	33.4	Very low	97 Å²	97	143 Å²	143	68%	0.678	78%	0.777	S	S	*	*			cis	-151	-156	45.8	-60.4	0	0	0	0	112.1
230	D	32.3	Very low	33.3	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	77%	0.769	S	S	*	*			trans	69.6	66.7	157.9	-50	-16.4	0	0	0	118
231	R	34	Very low	33.1	Very low	241 Å²	241	141.1 Å²	141.1	91%	0.909	76%	0.763	S	S	*	*			trans	-168.2	77.9	150	-107	150.8	-172.9	-84.3	-7.1	113.2
232	L	33.4	Very low	33.1	Very low	167 Å²	167	140.5 Å²	140.5	87%	0.874	75%	0.754	S	S	*	*			trans	-136.7	33.3	170.6	-88.4	179	0	0	0	113.6
233	E	33.3	Very low	32.9	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	74%	0.744	S	S	*	*			trans	-101.7	166	160.9	-65.5	177.1	128.3	0	0	108.7
234	D	34.8	Very low	33.1	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	75%	0.745	S	S	*	*	S	Bend	trans	77.8	25.4	-171.5	-60	-24.9	0	0	0	118.9
235	K	35.2	Very low	33.4	Very low	189 Å²	189	140.4 Å²	140.4	82%	0.822	74%	0.741	S	S	*	*	S	Bend	trans	-132.8	4.8	161.3	-77.1	-164.5	176.6	-178.6	0	117
236	Q	33.3	Very low	34.5	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	72%	0.716	S	S	*	*	S	Bend	trans	-94.9	-16	178.2	-62.2	-172.7	11.4	0	0	113.6	T238	Q236-T238 VanDerWaalsContact C-N 3.35Å; Q236-T238 PolarHBondContact O-N 3.42Å
237	T	32.5	Very low	36.1	Very low	106 Å²	106	137.3 Å²	137.3	65%	0.65	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-4	-170.9	38.8	0	0	0	0	115.7
238	T	32.8	Very low	38.2	Very low	116 Å²	116	132.5 Å²	132.5	71%	0.712	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-3.5	175.1	50.9	0	0	0	0	114.2	Q236	Q236-T238 VanDerWaalsContact C-N 3.35Å; Q236-T238 PolarHBondContact O-N 3.42Å
239	F	31.9	Very low	40.9	Very low	139 Å²	139	129.1 Å²	129.1	61%	0.61	65%	0.651	S	S	*	*	S	Bend	trans	-94.4	-10.5	179.6	-158.3	-124.2	0	0	0	113.2	S242 F243	F239-S242 PolarHBondContact O-OG 3.16Å; F239-S242 VanDerWaalsContact O-OG 3.1Å; F239-F243 AromaticContact CD1-CE2 3.94Å; F239-F243 HydrophobicContact CD1-CE2 3.94Å; F239-F243 AromaticContact CE1-CE2 3.63Å; F239-F243 HydrophobicContact CE1-CE2 3.63Å; F239-F243 HydrophobicContact CE1-CZ 4.25Å; F239-F243 HydrophobicContact CZ-CE2 4.16Å; F239-F243 WeakPolarHBondContact O-CD2 3.41Å
240	S	32.8	Very low	43.8	Very low	83 Å²	83	124.5 Å²	124.5	58%	0.58	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-81.1	-17.7	-179.9	46.9	0	0	0	0	114.4
241	Q	33.2	Very low	46.6	Very low	169 Å²	169	119.8 Å²	119.8	79%	0.79	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-93.6	3.3	179.3	-70.2	-177.8	-23.1	0	0	114
242	S	31.6	Very low	49.2	Very low	68 Å²	68	109.8 Å²	109.8	48%	0.476	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-105.7	4.7	176.2	48.1	0	0	0	0	114.4	F239	F239-S242 PolarHBondContact O-OG 3.16Å; F239-S242 VanDerWaalsContact O-OG 3.1Å
243	F	32.7	Very low	52	Low	130 Å²	130	103.5 Å²	103.5	57%	0.57	53%	0.532	S	S	*	.			trans	-100.8	4.3	-175.2	-94.8	-75.5	0	0	0	115.7	F239 L245	F239-F243 AromaticContact CD1-CE2 3.94Å; F239-F243 HydrophobicContact CD1-CE2 3.94Å; F239-F243 AromaticContact CE1-CE2 3.63Å; F239-F243 HydrophobicContact CE1-CE2 3.63Å; F239-F243 HydrophobicContact CE1-CZ 4.25Å; F239-F243 HydrophobicContact CZ-CE2 4.16Å; F239-F243 WeakPolarHBondContact O-CD2 3.41Å; F243-L245 PolarHBondContact O-N 3.29Å
244	E	36.8	Very low	54.7	Low	179 Å²	179	100.2 Å²	100.2	84%	0.836	52%	0.516	S	S	*	.			trans	-76.5	-0.1	176.6	-61.4	-166.4	121.3	0	0	113.5
245	L	40.1	Very low	57.2	Low	105 Å²	105	99.5 Å²	99.5	55%	0.55	51%	0.508	S	S	.	.	S	Bend	trans	-117.9	118.9	175.3	-63.3	166.2	0	0	0	108	T197 F243	T197-L245 HydrophobicContact CG2-CD1 4.31Å; F243-L245 PolarHBondContact O-N 3.29Å
246	I	56.1	Low	59.8	Low	49 Å²	49	92.5 Å²	92.5	25%	0.251	48%	0.482	S	S	.	.			cis	-134.3	87.5	0.8	-68.4	100.8	0	0	0	108.3	V151 L248	V151-I246 HydrophobicContact CG1-CB 4.08Å; V151-I246 HydrophobicContact CG1-CD1 4.26Å; V151-I246 HydrophobicContact CG1-CG2 4.38Å; V151-I246 HydrophobicContact CG2-CB 4.49Å; V151-I246 HydrophobicContact CG2-CD1 4.26Å; V151-I246 HydrophobicContact CG2-CG2 4.32Å; I246-L248 VanDerWaalsContact C-N 3.34Å; I246-L248 HydrophobicContact CG2-CD1 3.75Å; I246-L248 HydrophobicContact CG2-CD2 4.41Å; I246-L248 HydrophobicContact CG2-CG 3.65Å; I246-L248 PolarHBondContact O-N 2.94Å
247	N	64.8	Low	62.3	Low	108 Å²	108	84.9 Å²	84.9	58%	0.578	45%	0.447	S	S	*	.			trans	-81.1	75.3	179.2	-92.8	-32.1	0	0	0	112	H249	N247-H249 PolarHBondContact O-N 2.91Å; N247-H249 PolarHBondContact O-ND1 2.82Å
248	L	79.1	Confident	64.6	Low	20 Å²	20	86.8 Å²	86.8	11%	0.105	45%	0.448	C	S	.	.			trans	-66.8	95.9	177.6	-75.8	159.4	0	0	0	111.7	I246 C256 I257 F262 Y269	I246-L248 VanDerWaalsContact C-N 3.34Å; I246-L248 HydrophobicContact CG2-CD1 3.75Å; I246-L248 HydrophobicContact CG2-CD2 4.41Å; I246-L248 HydrophobicContact CG2-CG 3.65Å; I246-L248 PolarHBondContact O-N 2.94Å; L248-C256 CarbonylContact O-C 3.53Å; L248-C256 WeakPolarHBondContact O-CA 3.44Å; L248-I257 HydrophobicContact CB-CB 4.13Å; L248-I257 HydrophobicContact CB-CD1 4.47Å; L248-I257 WeakPolarHBondContact O-CB 3.46Å; L248-I257 WeakPolarHBondContact O-CG1 3.42Å; L248-I257 PolarHBondContact O-N 2.87Å; L248-F262 HydrophobicContact CD1-CE1 4.17Å; L248-F262 HydrophobicContact CD1-CZ 3.97Å; L248-Y269 HydrophobicContact CD2-CD1 3.5Å; L248-Y269 VanDerWaalsContact CD2-CD1 3.5Å; L248-Y269 HydrophobicContact CD2-CD2 3.48Å; L248-Y269 VanDerWaalsContact CD2-CD2 3.48Å; L248-Y269 HydrophobicContact CD2-CE1 3.58Å; L248-Y269 HydrophobicContact CD2-CE2 3.57Å; L248-Y269 HydrophobicContact CD2-CG 3.44Å; L248-Y269 VanDerWaalsContact CD2-CG 3.44Å
249	H	87.9	Confident	66.9	Low	95 Å²	95	84.5 Å²	84.5	44%	0.44	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-88.8	137.8	173.2	-67.6	78.8	0	0	0	111.4	N247 H254	N247-H249 PolarHBondContact O-N 2.91Å; N247-H249 PolarHBondContact O-ND1 2.82Å; H249-H254 PolarHBondContact CD2-O 2.74Å
250	C	92.2	Very high	69.2	Low	1 Å²	1	84.8 Å²	84.8	1%	0.007	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-76.5	126.5	176.4	174.1	0	0	0	0	112	S252 C253 H254 H255 I257 Y269 H271 C274	C250-S252 VanDerWaalsContact C-N 3.25Å; C250-S252 PolarHBondContact O-N 2.86Å; C250-C253 VanDerWaalsContact CB-SG 3.58Å; C250-C253 PolarHBondContact O-N 2.85Å; C250-H254 VanDerWaalsContact O-CA 3.24Å; C250-H254 WeakPolarHBondContact O-CA 3.37Å; C250-H254 PolarHBondContact O-N 2.78Å; C250-H255 WeakPolarHBondContact CB-O 3.43Å; C250-H255 PolarHBondContact N-O 3.39Å; C250-I257 HydrophobicContact CB-CD1 4.09Å; C250-I257 HydrophobicContact CB-CG1 3.89Å; C250-Y269 CarbonylContact C-O 3.55Å; C250-Y269 WeakPolarHBondContact CA-O 3.43Å; C250-H271 WeakPolarHBondContact CB-CE1 3.39Å; C250-H271 WeakPolarHBondContact CB-ND1 3.37Å; C250-H271 PolarHBondContact SG-ND1 3.32Å; C250-C274 WeakPolarHBondContact SG-CB 3.26Å
251	T	89.6	Confident	71.4	Confident	50 Å²	50	84.4 Å²	84.4	31%	0.307	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.4	-177.1	-53.3	0	0	0	0	114.2	K268 Y269 W270	T251-K268 HydrophobicContact CG2-CB 4.42Å; T251-K268 HydrophobicContact CG2-CD 4.24Å; T251-Y269 PolarHBondContact N-O 3.38Å; T251-Y269 PolarHBondContact OG1-O 3.34Å; T251-W270 HydrophobicContact CG2-CH2 3.88Å; T251-W270 HydrophobicContact CG2-CZ2 3.75Å
252	S	88.6	Confident	73.9	Confident	31 Å²	31	77 Å²	77	22%	0.217	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-30	178.6	-170.4	0	0	0	0	115	C250	C250-S252 VanDerWaalsContact C-N 3.25Å; C250-S252 PolarHBondContact O-N 2.86Å
253	C	92.6	Very high	76.5	Confident	35 Å²	35	73.8 Å²	73.8	24%	0.236	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-5.5	-170.8	66.8	0	0	0	0	113.4	C250 H255 H271	C250-C253 VanDerWaalsContact CB-SG 3.58Å; C250-C253 PolarHBondContact O-N 2.85Å; C253-H255 PolarHBondContact O-N 3.26Å; C253-H255 PolarHBondContact O-ND1 2.71Å; C253-H271 VanDerWaalsContact SG-CE1 3.56Å
254	H	89.3	Confident	78.9	Confident	115 Å²	115	68.3 Å²	68.3	53%	0.532	34%	0.344	S	S	.	.			trans	58.9	10.1	-179	-46	-70.4	0	0	0	115.4	H249 C250	H249-H254 PolarHBondContact CD2-O 2.74Å; C250-H254 VanDerWaalsContact O-CA 3.24Å; C250-H254 WeakPolarHBondContact O-CA 3.37Å; C250-H254 PolarHBondContact O-N 2.78Å
255	H	87.6	Confident	81.1	Confident	136 Å²	136	60.3 Å²	60.3	63%	0.63	31%	0.307	S	S	*	.			trans	-85.7	152.4	171.8	-67.4	57.6	0	0	0	110.9	C250 C253	C250-H255 WeakPolarHBondContact CB-O 3.43Å; C250-H255 PolarHBondContact N-O 3.39Å; C253-H255 PolarHBondContact O-N 3.26Å; C253-H255 PolarHBondContact O-ND1 2.71Å
256	C	89.9	Confident	82.8	Confident	41 Å²	41	59.5 Å²	59.5	28%	0.277	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-61.2	145.8	174.5	-63.8	0	0	0	0	112.6	L248 H258 H271	L248-C256 CarbonylContact O-C 3.53Å; L248-C256 WeakPolarHBondContact O-CA 3.44Å; C256-H258 WeakPolarHBondContact CB-NE2 3.15Å; C256-H258 PolarHBondContact O-N 3.48Å; C256-H271 PolarHBondContact O-NE2 3.43Å
257	I	86.5	Confident	83.9	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.036	32%	0.318	C	S	.	.			trans	-93.3	95.7	178.8	-62.1	174.8	0	0	0	108.4	W148 L248 C250 D259 F262	W148-I257 WeakPolarHBondContact CZ3-O 3.49Å; L248-I257 HydrophobicContact CB-CB 4.13Å; L248-I257 HydrophobicContact CB-CD1 4.47Å; L248-I257 WeakPolarHBondContact O-CB 3.46Å; L248-I257 WeakPolarHBondContact O-CG1 3.42Å; L248-I257 PolarHBondContact O-N 2.87Å; C250-I257 HydrophobicContact CB-CD1 4.09Å; C250-I257 HydrophobicContact CB-CG1 3.89Å; I257-D259 HydrophobicContact CG2-CB 4.37Å; I257-F262 HydrophobicContact CG2-CB 3.54Å; I257-F262 HydrophobicContact CG2-CD1 3.95Å; I257-F262 HydrophobicContact CG2-CG 3.9Å
258	H	81.5	Confident	84.8	Confident	146 Å²	146	60.9 Å²	60.9	68%	0.676	31%	0.307	S	S	*	.			trans	-91.3	0.9	172.4	-57.3	-67.9	0	0	0	113.1	C256	C256-H258 WeakPolarHBondContact CB-NE2 3.15Å; C256-H258 PolarHBondContact O-N 3.48Å
259	D	81.1	Confident	85.3	Confident	68 Å²	68	62.2 Å²	62.2	36%	0.364	31%	0.311	S	S	.	.			trans	-74.5	129.6	-179.4	-71.7	-26.3	0	0	0	111.8	I257 L261 H271	I257-D259 HydrophobicContact CG2-CB 4.37Å; D259-L261 WeakPolarHBondContact CB-O 3.4Å; D259-L261 PolarHBondContact O-N 3.22Å; D259-H271 IonicContact OD2-CD2 2.64Å; D259-H271 PolarHBondContact OD2-CD2 2.83Å; D259-H271 IonicContact OD2-CG 2.61Å
260	K	78.5	Confident	85.4	Confident	145 Å²	145	58.8 Å²	58.8	63%	0.63	29%	0.294	S	S	*	.	S	Bend	trans	-59.1	-13.1	171.2	-62.8	179.6	-178.6	175.8	0	114.2
261	L	79.2	Confident	85.4	Confident	75 Å²	75	60.1 Å²	60.1	39%	0.393	30%	0.301	S	S	.	.	S	Bend	trans	-136.4	115	178.4	-67.8	177.2	0	0	0	108.8	F143 P145 D259 L272	F143-L261 WeakPolarHBondContact O-CD2 3.35Å; P145-L261 HydrophobicContact CG-CD2 4.05Å; D259-L261 WeakPolarHBondContact CB-O 3.4Å; D259-L261 PolarHBondContact O-N 3.22Å; L261-L272 HydrophobicContact CB-CD1 4.14Å
262	F	86.1	Confident	85.3	Confident	12 Å²	12	59.7 Å²	59.7	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	165.2	176.9	60.5	-94.7	0	0	0	111.1	F143 W148 L248 I257 Y269	F143-F262 HydrophobicContact CB-CD2 4.18Å; F143-F262 HydrophobicContact CB-CE1 4.18Å; F143-F262 HydrophobicContact CB-CE2 3.73Å; F143-F262 HydrophobicContact CB-CZ 3.74Å; F143-F262 HydrophobicContact CD1-CE2 4.41Å; F143-F262 HydrophobicContact CD1-CZ 4.34Å; F143-F262 HydrophobicContact CD2-CE2 4.43Å; F143-F262 AromaticContact CG-CE2 3.92Å; F143-F262 HydrophobicContact CG-CE2 3.92Å; F143-F262 HydrophobicContact CG-CZ 4.13Å; F143-F262 PolarHBondContact N-O 3.03Å; W148-F262 HydrophobicContact CE3-CE1 4.4Å; L248-F262 HydrophobicContact CD1-CE1 4.17Å; L248-F262 HydrophobicContact CD1-CZ 3.97Å; I257-F262 HydrophobicContact CG2-CB 3.54Å; I257-F262 HydrophobicContact CG2-CD1 3.95Å; I257-F262 HydrophobicContact CG2-CG 3.9Å; F262-Y269 HydrophobicContact CD2-CD1 4.22Å; F262-Y269 AromaticContact CE2-CD1 3.9Å; F262-Y269 HydrophobicContact CE2-CD1 3.9Å; F262-Y269 HydrophobicContact CE2-CE1 4.33Å
263	L	85.7	Confident	85.3	Confident	1 Å²	1	63 Å²	63	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.1	-178.9	-61.2	166.5	0	0	0	109.7	C140 N142 Y269 W270 L272 L275 Q285	C140-L263 HydrophobicContact CB-CD2 4.49Å; N142-L263 WeakPolarHBondContact OD1-CD2 3.45Å; L263-Y269 WeakPolarHBondContact O-CA 3.44Å; L263-W270 HydrophobicContact CB-CB 4.26Å; L263-W270 PolarHBondContact N-O 3.02Å; L263-W270 PolarHBondContact O-N 2.98Å; L263-L272 HydrophobicContact CD1-CD2 4.48Å; L263-L272 HydrophobicContact CD2-CD2 4.23Å; L263-L272 HydrophobicContact CG-CD2 4.11Å; L263-L275 HydrophobicContact CD1-CB 3.6Å; L263-L275 HydrophobicContact CD1-CD2 3.86Å; L263-L275 HydrophobicContact CD1-CG 4.37Å; L263-Q285 HydrophobicContact CD1-CB 4.15Å
264	C	84.6	Confident	85.3	Confident	16 Å²	16	62.5 Å²	62.5	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	170.8	-174.9	0	0	0	0	111.1	T141 F143 Y269	T141-C264 PolarHBondContact O-N 2.76Å; T141-C264 PolarHBondContact OG1-O 3.1Å; F143-C264 HydrophobicContact CD2-CB 3.73Å; F143-C264 HydrophobicContact CE2-CB 3.52Å; F143-C264 HydrophobicContact CZ-CB 4.42Å; C264-Y269 HydrophobicContact CB-CD1 4.13Å; C264-Y269 HydrophobicContact CB-CE1 4.28Å
265	M	81.6	Confident	85.3	Confident	10 Å²	10	57 Å²	57	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	117.7	-179.7	161.9	169	65.9	0	0	109.6	Y138 N267 K268 W270 L275 C290 V292 V297	Y138-M265 HydrophobicContact CD1-CG 3.98Å; Y138-M265 HydrophobicContact CD2-CG 3.6Å; Y138-M265 HydrophobicContact CD2-SD 3.31Å; Y138-M265 WeakPolarHBondContact CD2-SD 3.47Å; Y138-M265 HydrophobicContact CE1-CG 4.48Å; Y138-M265 HydrophobicContact CE2-CG 4.1Å; Y138-M265 HydrophobicContact CE2-SD 4.03Å; Y138-M265 HydrophobicContact CG-CG 3.48Å; Y138-M265 VanDerWaalsContact CG-CG 3.48Å; Y138-M265 HydrophobicContact CG-SD 3.66Å; M265-N267 VanDerWaalsContact C-N 3.26Å; M265-N267 PolarHBondContact O-N 3.02Å; M265-K268 PolarHBondContact N-O 3.19Å; M265-K268 WeakPolarHBondContact O-CA 3.23Å; M265-K268 VanDerWaalsContact O-CB 3.27Å; M265-K268 WeakPolarHBondContact O-CB 3.4Å; M265-K268 PolarHBondContact O-N 3.22Å; M265-W270 HydrophobicContact CE-CZ2 3.61Å; M265-L275 HydrophobicContact CE-CD1 3.48Å; M265-L275 VanDerWaalsContact CE-CD1 3.48Å; M265-C290 PolarHBondContact SD-SG 3.22Å; M265-V292 HydrophobicContact SD-CG2 4.1Å; M265-V297 HydrophobicContact CE-CG2 4.1Å
266	D	76.8	Confident	85.5	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	46.4	-178.9	-126.2	36.7	0	0	0	113.8	K136 Y138 K268	K136-D266 IonicContact NZ-OD2 2.67Å; K136-D266 PolarHBondContact NZ-OD2 3.38Å; Y138-D266 HydrophobicContact CD1-CB 4.16Å; Y138-D266 HydrophobicContact CE1-CB 3.4Å; Y138-D266 WeakPolarHBondContact CE1-OD1 2.9Å; Y138-D266 PolarHBondContact OH-OD2 3.08Å; D266-K268 PolarHBondContact O-N 3.28Å
267	N	77.8	Confident	85.7	Confident	104 Å²	104	53.9 Å²	53.9	56%	0.556	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	7.1	-174.5	-55.3	-14.2	0	0	0	115.5	M265 Y269	M265-N267 VanDerWaalsContact C-N 3.26Å; M265-N267 PolarHBondContact O-N 3.02Å; N267-Y269 WeakPolarHBondContact O-CD2 3.26Å; N267-Y269 WeakPolarHBondContact O-CE2 3.13Å
268	K	85.1	Confident	85.8	Confident	83 Å²	83	60.3 Å²	60.3	36%	0.361	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.5	167.5	-61.2	176.9	176.4	-168.8	0	109.4	T251 M265 D266 W270 D295	T251-K268 HydrophobicContact CG2-CB 4.42Å; T251-K268 HydrophobicContact CG2-CD 4.24Å; M265-K268 PolarHBondContact N-O 3.19Å; M265-K268 WeakPolarHBondContact O-CA 3.23Å; M265-K268 VanDerWaalsContact O-CB 3.27Å; M265-K268 WeakPolarHBondContact O-CB 3.4Å; M265-K268 PolarHBondContact O-N 3.22Å; D266-K268 PolarHBondContact O-N 3.28Å; K268-W270 PolarHBondContact O-NE1 2.94Å; K268-D295 IonicContact NZ-OD1 3.91Å; K268-D295 PolarHBondContact NZ-OD1 3.11Å
269	Y	88.8	Confident	85.9	Confident	48 Å²	48	57.2 Å²	57.2	19%	0.188	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.2	-173.5	-53.8	-81.7	0	0	0	111.9	L248 C250 T251 F262 L263 C264 N267	L248-Y269 HydrophobicContact CD2-CD1 3.5Å; L248-Y269 VanDerWaalsContact CD2-CD1 3.5Å; L248-Y269 HydrophobicContact CD2-CD2 3.48Å; L248-Y269 VanDerWaalsContact CD2-CD2 3.48Å; L248-Y269 HydrophobicContact CD2-CE1 3.58Å; L248-Y269 HydrophobicContact CD2-CE2 3.57Å; L248-Y269 HydrophobicContact CD2-CG 3.44Å; L248-Y269 VanDerWaalsContact CD2-CG 3.44Å; C250-Y269 CarbonylContact C-O 3.55Å; C250-Y269 WeakPolarHBondContact CA-O 3.43Å; T251-Y269 PolarHBondContact N-O 3.38Å; T251-Y269 PolarHBondContact OG1-O 3.34Å; F262-Y269 HydrophobicContact CD2-CD1 4.22Å; F262-Y269 AromaticContact CE2-CD1 3.9Å; F262-Y269 HydrophobicContact CE2-CD1 3.9Å; F262-Y269 HydrophobicContact CE2-CE1 4.33Å; L263-Y269 WeakPolarHBondContact O-CA 3.44Å; C264-Y269 HydrophobicContact CB-CD1 4.13Å; C264-Y269 HydrophobicContact CB-CE1 4.28Å; N267-Y269 WeakPolarHBondContact O-CD2 3.26Å; N267-Y269 WeakPolarHBondContact O-CE2 3.13Å
270	W	90.5	Very high	86.3	Confident	22 Å²	22	56.3 Å²	56.3	8%	0.083	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.5	-174.6	-44.2	69.1	0	0	0	111.1	T251 L263 M265 K268 L275 V297	T251-W270 HydrophobicContact CG2-CH2 3.88Å; T251-W270 HydrophobicContact CG2-CZ2 3.75Å; L263-W270 HydrophobicContact CB-CB 4.26Å; L263-W270 PolarHBondContact N-O 3.02Å; L263-W270 PolarHBondContact O-N 2.98Å; M265-W270 HydrophobicContact CE-CZ2 3.61Å; K268-W270 PolarHBondContact O-NE1 2.94Å; W270-L275 HydrophobicContact CB-CB 4.11Å; W270-L275 HydrophobicContact CD2-CB 4.33Å; W270-L275 HydrophobicContact CD2-CD1 3.71Å; W270-L275 HydrophobicContact CE3-CB 4.34Å; W270-L275 HydrophobicContact CE3-CD1 3.9Å; W270-L275 HydrophobicContact CG-CB 4.22Å; W270-L275 HydrophobicContact CG-CD1 4.13Å; W270-L275 HydrophobicContact CH2-CD1 4.43Å; W270-L275 HydrophobicContact CZ2-CD1 4.25Å; W270-L275 HydrophobicContact CZ3-CD1 4.25Å; W270-V297 HydrophobicContact CH2-CG2 4.07Å; W270-V297 HydrophobicContact CZ2-CG2 4.44Å
271	H	91.3	Very high	86.8	Confident	30 Å²	30	51 Å²	51	14%	0.139	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	152.3	160.2	-49.3	92.9	0	0	0	109.4	C250 C253 C256 D259 N273 C274 L275	C250-H271 WeakPolarHBondContact CB-CE1 3.39Å; C250-H271 WeakPolarHBondContact CB-ND1 3.37Å; C250-H271 PolarHBondContact SG-ND1 3.32Å; C253-H271 VanDerWaalsContact SG-CE1 3.56Å; C256-H271 PolarHBondContact O-NE2 3.43Å; D259-H271 IonicContact OD2-CD2 2.64Å; D259-H271 PolarHBondContact OD2-CD2 2.83Å; D259-H271 IonicContact OD2-CG 2.61Å; H271-N273 PolarHBondContact O-N 3.26Å; H271-C274 HydrophobicContact CB-CB 4.06Å; H271-C274 WeakPolarHBondContact O-CB 3.49Å; H271-C274 PolarHBondContact O-N 3.2Å; H271-L275 PolarHBondContact O-N 3.06Å
272	L	87.2	Confident	87.2	Confident	40 Å²	40	52.5 Å²	52.5	21%	0.209	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-45.5	-179.3	-66.2	165.3	0	0	0	112	L261 L263 C274 Q285	L261-L272 HydrophobicContact CB-CD1 4.14Å; L263-L272 HydrophobicContact CD1-CD2 4.48Å; L263-L272 HydrophobicContact CD2-CD2 4.23Å; L263-L272 HydrophobicContact CG-CD2 4.11Å; L272-C274 VanDerWaalsContact C-N 3.29Å; L272-C274 PolarHBondContact O-N 3.09Å; L272-Q285 HydrophobicContact CB-CB 4.24Å; L272-Q285 HydrophobicContact CD2-CB 4.1Å; L272-Q285 PolarHBondContact O-OE1 3.34Å
273	N	88.9	Confident	87.5	Confident	101 Å²	101	53.4 Å²	53.4	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.7	-179.5	-75.6	-42	0	0	0	114.8	H271 R276 Q285	H271-N273 PolarHBondContact O-N 3.26Å; N273-R276 VanDerWaalsContact O-CZ 3.29Å; N273-R276 PolarHBondContact O-NE 2.78Å; N273-R276 PolarHBondContact O-NH2 3.36Å; N273-Q285 PolarHBondContact OD1-OE1 3.37Å
274	C	92.4	Very high	87.6	Confident	24 Å²	24	53.5 Å²	53.5	16%	0.162	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-28.6	-177.5	-79.2	0	0	0	0	113.5	C250 H271 L272 R276	C250-C274 WeakPolarHBondContact SG-CB 3.26Å; H271-C274 HydrophobicContact CB-CB 4.06Å; H271-C274 WeakPolarHBondContact O-CB 3.49Å; H271-C274 PolarHBondContact O-N 3.2Å; L272-C274 VanDerWaalsContact C-N 3.29Å; L272-C274 PolarHBondContact O-N 3.09Å; C274-R276 PolarHBondContact O-N 3.04Å; C274-R276 VanDerWaalsContact O-N 3.07Å
275	L	90.7	Very high	87.6	Confident	1 Å²	1	54 Å²	54	1%	0.005	27%	0.269	C	S	.	.			trans	-74.8	100.3	172.9	-173.1	68.7	0	0	0	109.7	L263 M265 W270 H271 T283 L284 V297	L263-L275 HydrophobicContact CD1-CB 3.6Å; L263-L275 HydrophobicContact CD1-CD2 3.86Å; L263-L275 HydrophobicContact CD1-CG 4.37Å; M265-L275 HydrophobicContact CE-CD1 3.48Å; M265-L275 VanDerWaalsContact CE-CD1 3.48Å; W270-L275 HydrophobicContact CB-CB 4.11Å; W270-L275 HydrophobicContact CD2-CB 4.33Å; W270-L275 HydrophobicContact CD2-CD1 3.71Å; W270-L275 HydrophobicContact CE3-CB 4.34Å; W270-L275 HydrophobicContact CE3-CD1 3.9Å; W270-L275 HydrophobicContact CG-CB 4.22Å; W270-L275 HydrophobicContact CG-CD1 4.13Å; W270-L275 HydrophobicContact CH2-CD1 4.43Å; W270-L275 HydrophobicContact CZ2-CD1 4.25Å; W270-L275 HydrophobicContact CZ3-CD1 4.25Å; H271-L275 PolarHBondContact O-N 3.06Å; L275-T283 CarbonylContact O-C 3.54Å; L275-T283 WeakPolarHBondContact O-CA 3.49Å; L275-L284 HydrophobicContact CD2-CB 4.13Å; L275-L284 HydrophobicContact CG-CB 4.16Å; L275-L284 PolarHBondContact O-N 2.91Å; L275-V297 HydrophobicContact CD1-CG1 3.95Å; L275-V297 HydrophobicContact CD1-CG2 4.2Å
276	R	92.4	Very high	87.6	Confident	109 Å²	109	63.2 Å²	63.2	41%	0.411	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-123.6	151.8	-176.2	-68.6	176.6	-177.8	-97.8	-1.8	112.2	N273 C274 Y278 G281 I282 T283	N273-R276 VanDerWaalsContact O-CZ 3.29Å; N273-R276 PolarHBondContact O-NE 2.78Å; N273-R276 PolarHBondContact O-NH2 3.36Å; C274-R276 PolarHBondContact O-N 3.04Å; C274-R276 VanDerWaalsContact O-N 3.07Å; R276-Y278 PolarHBondContact O-N 2.81Å; R276-G281 VanDerWaalsContact CD-O 3.29Å; R276-G281 WeakPolarHBondContact CD-O 3.49Å; R276-G281 WeakPolarHBondContact CG-O 3.49Å; R276-G281 PolarHBondContact NH1-O 3.17Å; R276-I282 VanDerWaalsContact CA-O 3.32Å; R276-I282 WeakPolarHBondContact CA-O 3.31Å; R276-T283 HydrophobicContact CG-CG2 3.92Å; R276-T283 VanDerWaalsContact CZ-CG2 3.42Å
277	C	92.6	Very high	87.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.007	30%	0.299	C	S	.	.			trans	-73.7	120.2	168	173	0	0	0	0	110.5	K279 C280 G281 I282 L284 V297 C299	C277-K279 PolarHBondContact O-N 3.18Å; C277-K279 VanDerWaalsContact O-N 3.08Å; C277-C280 PolarHBondContact O-N 3.39Å; C277-C280 VanDerWaalsContact O-N 3.14Å; C277-G281 PolarHBondContact O-N 2.82Å; C277-I282 PolarHBondContact N-O 3.39Å; C277-L284 HydrophobicContact CB-CD1 4.28Å; C277-L284 HydrophobicContact CB-CD2 4.12Å; C277-V297 CarbonylContact C-O 3.57Å; C277-V297 WeakPolarHBondContact CA-O 3.29Å; C277-C299 HydrophobicContact CB-CB 3.93Å; C277-C299 PolarHBondContact SG-N 2.8Å
278	Y	88.4	Confident	87.9	Confident	143 Å²	143	66.1 Å²	66.1	56%	0.561	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-36.4	179.6	177.6	-103.4	0	0	0	113.8	R276 M296 V297 F298	R276-Y278 PolarHBondContact O-N 2.81Å; Y278-M296 HydrophobicContact CD1-CB 4.49Å; Y278-M296 HydrophobicContact CD1-CG 4.3Å; Y278-M296 HydrophobicContact CD1-SD 3.66Å; Y278-M296 HydrophobicContact CD2-CG 4.25Å; Y278-M296 HydrophobicContact CD2-SD 4.39Å; Y278-M296 HydrophobicContact CE1-CG 4.49Å; Y278-M296 HydrophobicContact CE1-SD 3.46Å; Y278-M296 WeakPolarHBondContact CE1-SD 3.37Å; Y278-M296 HydrophobicContact CE2-CG 4.43Å; Y278-M296 HydrophobicContact CE2-SD 4.22Å; Y278-M296 HydrophobicContact CG-CB 4.28Å; Y278-M296 HydrophobicContact CG-CG 4.19Å; Y278-M296 HydrophobicContact CG-SD 4.14Å; Y278-V297 WeakPolarHBondContact CB-O 3.19Å; Y278-V297 PolarHBondContact N-O 2.84Å; Y278-F298 HydrophobicContact CD1-CE1 4.22Å; Y278-F298 HydrophobicContact CD1-CZ 4.4Å
279	K	84.4	Confident	87.9	Confident	81 Å²	81	63.5 Å²	63.5	35%	0.352	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-20.5	-177.2	-73.7	-73.7	172.9	175.5	0	116.1	C277 F298 H302 D328	C277-K279 PolarHBondContact O-N 3.18Å; C277-K279 VanDerWaalsContact O-N 3.08Å; K279-F298 HydrophobicContact CG-CD1 4.18Å; K279-F298 HydrophobicContact CG-CE1 3.84Å; K279-H302 HydrophobicContact CB-CB 4.21Å; K279-D328 WeakPolarHBondContact CE-OD2 3.46Å; K279-D328 IonicContact NZ-OD1 2.87Å; K279-D328 PolarHBondContact NZ-OD1 2.98Å; K279-D328 IonicContact NZ-OD2 2.95Å; K279-D328 PolarHBondContact NZ-OD2 3.28Å
280	C	89.2	Confident	87.9	Confident	48 Å²	48	61.2 Å²	61.2	32%	0.324	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	1.1	-174.9	66.8	0	0	0	0	115.2	C277 I282 H302	C277-C280 PolarHBondContact O-N 3.39Å; C277-C280 VanDerWaalsContact O-N 3.14Å; C280-I282 HydrophobicContact CB-CD1 4.42Å; C280-I282 HydrophobicContact CB-CG1 4.38Å; C280-I282 PolarHBondContact O-N 3.38Å; C280-H302 VanDerWaalsContact CB-CE1 3.46Å; C280-H302 WeakPolarHBondContact CB-CE1 3.37Å; C280-H302 VanDerWaalsContact SG-CE1 3.51Å; C280-H302 PolarHBondContact SG-ND1 3.34Å
281	G	89	Confident	87.8	Confident	35 Å²	35	61.2 Å²	61.2	36%	0.361	29%	0.291	S	S	.	.			trans	67.5	-8.5	177.2	0	0	0	0	0	116.1	R276 C277	R276-G281 VanDerWaalsContact CD-O 3.29Å; R276-G281 WeakPolarHBondContact CD-O 3.49Å; R276-G281 WeakPolarHBondContact CG-O 3.49Å; R276-G281 PolarHBondContact NH1-O 3.17Å; C277-G281 PolarHBondContact O-N 2.82Å
282	I	88.7	Confident	87.6	Confident	106 Å²	106	61 Å²	61	54%	0.544	29%	0.292	S	S	.	.			trans	-60.3	133.8	179.5	-61	175.8	0	0	0	110	R276 C277 C280	R276-I282 VanDerWaalsContact CA-O 3.32Å; R276-I282 WeakPolarHBondContact CA-O 3.31Å; C277-I282 PolarHBondContact N-O 3.39Å; C280-I282 HydrophobicContact CB-CD1 4.42Å; C280-I282 HydrophobicContact CB-CG1 4.38Å; C280-I282 PolarHBondContact O-N 3.38Å
283	T	90.7	Very high	87.3	Confident	31 Å²	31	61 Å²	61	19%	0.19	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-72.7	134.9	176	53.9	0	0	0	0	110.9	L275 R276 Q285	L275-T283 CarbonylContact O-C 3.54Å; L275-T283 WeakPolarHBondContact O-CA 3.49Å; R276-T283 HydrophobicContact CG-CG2 3.92Å; R276-T283 VanDerWaalsContact CZ-CG2 3.42Å; T283-Q285 PolarHBondContact OG1-OE1 2.95Å
284	L	89	Confident	86.8	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	29%	0.288	C	S	.	.			trans	-98.4	12.7	-174.8	-51.7	-176.7	0	0	0	112.4	L275 C277 W286 E287 C290 V297 C299	L275-L284 HydrophobicContact CD2-CB 4.13Å; L275-L284 HydrophobicContact CG-CB 4.16Å; L275-L284 PolarHBondContact O-N 2.91Å; C277-L284 HydrophobicContact CB-CD1 4.28Å; C277-L284 HydrophobicContact CB-CD2 4.12Å; L284-W286 PolarHBondContact O-N 2.95Å; L284-W286 VanDerWaalsContact O-N 3.13Å; L284-E287 HydrophobicContact CB-CB 4.27Å; L284-E287 HydrophobicContact CD2-CG 4.31Å; L284-E287 WeakPolarHBondContact O-CB 3.45Å; L284-E287 PolarHBondContact O-N 3.49Å; L284-C290 HydrophobicContact CD1-CB 3.63Å; L284-V297 HydrophobicContact CD1-CG1 3.67Å; L284-C299 HydrophobicContact CD2-CB 3.7Å
285	Q	84.6	Confident	86.3	Confident	28 Å²	28	65 Å²	65	13%	0.131	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.8	178.2	70.6	-166.3	60.8	0	0	114.8	L263 L272 N273 T283	L263-Q285 HydrophobicContact CD1-CB 4.15Å; L272-Q285 HydrophobicContact CB-CB 4.24Å; L272-Q285 HydrophobicContact CD2-CB 4.1Å; L272-Q285 PolarHBondContact O-OE1 3.34Å; N273-Q285 PolarHBondContact OD1-OE1 3.37Å; T283-Q285 PolarHBondContact OG1-OE1 2.95Å
286	W	81.9	Confident	86	Confident	203 Å²	203	67.1 Å²	67.1	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-13.6	177.2	-55.1	123.2	0	0	0	112.9	L284	L284-W286 PolarHBondContact O-N 2.95Å; L284-W286 VanDerWaalsContact O-N 3.13Å
287	E	82.5	Confident	85.8	Confident	80 Å²	80	62.4 Å²	62.4	37%	0.374	30%	0.304	S	S	.	.			trans	-78.6	127.4	176.5	-79.9	-65.8	168.5	0	0	110	C140 L284 T289	C140-E287 WeakPolarHBondContact CB-O 3.47Å; L284-E287 HydrophobicContact CB-CB 4.27Å; L284-E287 HydrophobicContact CD2-CG 4.31Å; L284-E287 WeakPolarHBondContact O-CB 3.45Å; L284-E287 PolarHBondContact O-N 3.49Å; E287-T289 PolarHBondContact O-N 3.3Å
288	K	77.8	Confident	85.7	Confident	173 Å²	173	62.4 Å²	62.4	75%	0.752	30%	0.303	S	S	*	.	S	Bend	trans	-72.3	-14.3	178.3	-66.2	175.5	-177.8	171.5	0	112.7	R139 C140	R139-K288 WeakPolarHBondContact CA-O 3.38Å; C140-K288 PolarHBondContact N-O 2.81Å
289	T	85.8	Confident	85.8	Confident	28 Å²	28	56.4 Å²	56.4	17%	0.172	28%	0.282	C	S	.	.			trans	-148.3	126.4	-177.7	53.4	0	0	0	0	110.3	Y138 E287 R300	Y138-T289 VanDerWaalsContact O-CA 3.28Å; Y138-T289 WeakPolarHBondContact O-CA 3.36Å; E287-T289 PolarHBondContact O-N 3.3Å; T289-R300 PolarHBondContact OG1-NH2 3.04Å
290	C	88.2	Confident	85.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	165.4	160.7	64.8	0	0	0	0	110.3	Y138 M265 L284 V297	Y138-C290 PolarHBondContact N-O 2.82Å; Y138-C290 PolarHBondContact O-N 2.91Å; M265-C290 PolarHBondContact SD-SG 3.22Å; L284-C290 HydrophobicContact CD1-CB 3.63Å; C290-V297 HydrophobicContact CB-CG1 4.01Å
291	F	89.1	Confident	85.7	Confident	21 Å²	21	58.1 Å²	58.1	9%	0.092	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.5	-178.8	-61.5	-101.5	0	0	0	108.2	N137 V297 F298 R300 Y303	N137-F291 WeakPolarHBondContact OD1-CE1 3.42Å; F291-V297 CarbonylContact O-C 3.59Å; F291-F298 PolarHBondContact N-O 3.33Å; F291-F298 PolarHBondContact O-N 3Å; F291-R300 HydrophobicContact CE2-CB 3.82Å; F291-R300 HydrophobicContact CE2-CG 4.15Å; F291-Y303 HydrophobicContact CB-CD1 4.12Å; F291-Y303 HydrophobicContact CB-CD2 3.42Å; F291-Y303 VanDerWaalsContact CB-CD2 3.42Å; F291-Y303 HydrophobicContact CB-CE2 3.95Å; F291-Y303 HydrophobicContact CB-CG 3.5Å; F291-Y303 AromaticContact CD1-CD1 3.29Å; F291-Y303 HydrophobicContact CD1-CD1 3.29Å; F291-Y303 HydrophobicContact CD1-CD2 4.13Å; F291-Y303 AromaticContact CD1-CE1 3.49Å; F291-Y303 HydrophobicContact CD1-CE1 3.49Å; F291-Y303 VanDerWaalsContact CD1-CE1 3.49Å; F291-Y303 HydrophobicContact CD1-CE2 4.28Å; F291-Y303 AromaticContact CD1-CG 3.64Å; F291-Y303 HydrophobicContact CD1-CG 3.64Å; F291-Y303 AromaticContact CD1-CZ 3.99Å; F291-Y303 HydrophobicContact CD2-CD1 4.47Å; F291-Y303 HydrophobicContact CD2-CG 4.28Å; F291-Y303 AromaticContact CE1-CD1 3.76Å; F291-Y303 HydrophobicContact CE1-CD1 3.76Å; F291-Y303 AromaticContact CE1-CE1 3.98Å; F291-Y303 HydrophobicContact CE1-CE1 3.98Å; F291-Y303 HydrophobicContact CE1-CG 4.44Å; F291-Y303 AromaticContact CG-CD1 3.71Å; F291-Y303 HydrophobicContact CG-CD1 3.71Å; F291-Y303 AromaticContact CG-CD2 3.98Å; F291-Y303 HydrophobicContact CG-CD2 3.98Å; F291-Y303 HydrophobicContact CG-CE1 4.27Å; F291-Y303 HydrophobicContact CG-CE2 4.49Å; F291-Y303 AromaticContact CG-CG 3.54Å; F291-Y303 HydrophobicContact CG-CG 3.54Å
292	V	85.9	Confident	85.5	Confident	26 Å²	26	58.6 Å²	58.6	16%	0.158	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.8	173.6	177	0	0	0	0	109.1	Y138 M265 M296 V297	Y138-V292 HydrophobicContact CD2-CB 4.24Å; Y138-V292 HydrophobicContact CD2-CG2 3.7Å; Y138-V292 HydrophobicContact CE2-CB 3.79Å; Y138-V292 HydrophobicContact CE2-CG2 3.57Å; M265-V292 HydrophobicContact SD-CG2 4.1Å; V292-M296 VanDerWaalsContact CA-O 3.32Å; V292-M296 WeakPolarHBondContact CA-O 3.12Å; V292-V297 HydrophobicContact CG2-CG2 4.13Å
293	K	80.5	Confident	85.4	Confident	39 Å²	39	55.7 Å²	55.7	17%	0.17	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	129.6	170.4	-163.9	-166	173.1	-167	0	108.2	D133 D295 M296 F298 Y303 Y327	D133-K293 WeakPolarHBondContact OD2-CE 3.38Å; D133-K293 WeakPolarHBondContact OD2-CG 3.23Å; K293-D295 VanDerWaalsContact C-N 3.3Å; K293-D295 PolarHBondContact O-N 3.01Å; K293-M296 PolarHBondContact N-O 3.01Å; K293-M296 VanDerWaalsContact N-O 3.09Å; K293-M296 WeakPolarHBondContact O-CB 3.26Å; K293-M296 PolarHBondContact O-N 3.04Å; K293-M296 VanDerWaalsContact O-N 3.07Å; K293-F298 HydrophobicContact CB-CE2 4.12Å; K293-Y303 HydrophobicContact CB-CE2 4.44Å; K293-Y327 WeakPolarHBondContact CD-OH 3.44Å
294	N	79	Confident	85	Confident	93 Å²	93	58.4 Å²	58.4	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	49.1	-174.5	-56.6	30.1	0	0	0	111.9	M296	N294-M296 HydrophobicContact CB-CE 3.91Å; N294-M296 PolarHBondContact O-N 2.97Å
295	D	81.3	Confident	84.7	Confident	118 Å²	118	63.4 Å²	63.4	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-8.5	-171.3	-88.7	-69.6	0	0	0	117.8	K268 K293	K268-D295 IonicContact NZ-OD1 3.91Å; K268-D295 PolarHBondContact NZ-OD1 3.11Å; K293-D295 VanDerWaalsContact C-N 3.3Å; K293-D295 PolarHBondContact O-N 3.01Å
296	M	85.6	Confident	84.5	Confident	44 Å²	44	63.3 Å²	63.3	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	132.1	174.3	-67.4	174.7	-79.6	0	0	111.4	Y278 V292 K293 N294 F298 Y327	Y278-M296 HydrophobicContact CD1-CB 4.49Å; Y278-M296 HydrophobicContact CD1-CG 4.3Å; Y278-M296 HydrophobicContact CD1-SD 3.66Å; Y278-M296 HydrophobicContact CD2-CG 4.25Å; Y278-M296 HydrophobicContact CD2-SD 4.39Å; Y278-M296 HydrophobicContact CE1-CG 4.49Å; Y278-M296 HydrophobicContact CE1-SD 3.46Å; Y278-M296 WeakPolarHBondContact CE1-SD 3.37Å; Y278-M296 HydrophobicContact CE2-CG 4.43Å; Y278-M296 HydrophobicContact CE2-SD 4.22Å; Y278-M296 HydrophobicContact CG-CB 4.28Å; Y278-M296 HydrophobicContact CG-CG 4.19Å; Y278-M296 HydrophobicContact CG-SD 4.14Å; V292-M296 VanDerWaalsContact CA-O 3.32Å; V292-M296 WeakPolarHBondContact CA-O 3.12Å; K293-M296 PolarHBondContact N-O 3.01Å; K293-M296 VanDerWaalsContact N-O 3.09Å; K293-M296 WeakPolarHBondContact O-CB 3.26Å; K293-M296 PolarHBondContact O-N 3.04Å; K293-M296 VanDerWaalsContact O-N 3.07Å; N294-M296 HydrophobicContact CB-CE 3.91Å; N294-M296 PolarHBondContact O-N 2.97Å; M296-F298 HydrophobicContact CB-CD2 4.41Å; M296-F298 HydrophobicContact CB-CE2 3.52Å; M296-F298 HydrophobicContact CB-CZ 3.71Å; M296-F298 HydrophobicContact CE-CZ 4.38Å; M296-F298 VanDerWaalsContact O-CD2 3.24Å; M296-F298 WeakPolarHBondContact O-CD2 3.47Å; M296-F298 VanDerWaalsContact O-CE2 3.27Å; M296-F298 WeakPolarHBondContact O-CE2 3.44Å; M296-F298 HydrophobicContact SD-CZ 4.21Å; M296-Y327 HydrophobicContact CE-CE1 3.79Å
297	V	88.4	Confident	84.6	Confident	11 Å²	11	55 Å²	55	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.4	177.1	-175.1	0	0	0	0	110.7	M265 W270 L275 C277 Y278 L284 C290 F291 V292	M265-V297 HydrophobicContact CE-CG2 4.1Å; W270-V297 HydrophobicContact CH2-CG2 4.07Å; W270-V297 HydrophobicContact CZ2-CG2 4.44Å; L275-V297 HydrophobicContact CD1-CG1 3.95Å; L275-V297 HydrophobicContact CD1-CG2 4.2Å; C277-V297 CarbonylContact C-O 3.57Å; C277-V297 WeakPolarHBondContact CA-O 3.29Å; Y278-V297 WeakPolarHBondContact CB-O 3.19Å; Y278-V297 PolarHBondContact N-O 2.84Å; L284-V297 HydrophobicContact CD1-CG1 3.67Å; C290-V297 HydrophobicContact CB-CG1 4.01Å; F291-V297 CarbonylContact O-C 3.59Å; V292-V297 HydrophobicContact CG2-CG2 4.13Å
298	F	89.1	Confident	84.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.5	178.4	-60	-88.8	0	0	0	111.6	Y278 K279 F291 K293 M296 H302 L306	Y278-F298 HydrophobicContact CD1-CE1 4.22Å; Y278-F298 HydrophobicContact CD1-CZ 4.4Å; K279-F298 HydrophobicContact CG-CD1 4.18Å; K279-F298 HydrophobicContact CG-CE1 3.84Å; F291-F298 PolarHBondContact N-O 3.33Å; F291-F298 PolarHBondContact O-N 3Å; K293-F298 HydrophobicContact CB-CE2 4.12Å; M296-F298 HydrophobicContact CB-CD2 4.41Å; M296-F298 HydrophobicContact CB-CE2 3.52Å; M296-F298 HydrophobicContact CB-CZ 3.71Å; M296-F298 HydrophobicContact CE-CZ 4.38Å; M296-F298 VanDerWaalsContact O-CD2 3.24Å; M296-F298 WeakPolarHBondContact O-CD2 3.47Å; M296-F298 VanDerWaalsContact O-CE2 3.27Å; M296-F298 WeakPolarHBondContact O-CE2 3.44Å; M296-F298 HydrophobicContact SD-CZ 4.21Å; F298-H302 HydrophobicContact CD1-CB 4.3Å; F298-L306 HydrophobicContact CD1-CD1 4.14Å; F298-L306 HydrophobicContact CD2-CD1 4.18Å; F298-L306 HydrophobicContact CE1-CD1 3.91Å; F298-L306 HydrophobicContact CE2-CD1 3.96Å; F298-L306 HydrophobicContact CG-CD1 4.27Å; F298-L306 HydrophobicContact CZ-CD1 3.83Å
299	C	90.6	Very high	85.5	Confident	17 Å²	17	44 Å²	44	12%	0.115	21%	0.212	C	C	.	.			trans	-72.8	161.8	163.1	76.2	0	0	0	0	110.3	C277 L284 E301 H302 Y303	C277-C299 HydrophobicContact CB-CB 3.93Å; C277-C299 PolarHBondContact SG-N 2.8Å; L284-C299 HydrophobicContact CD2-CB 3.7Å; C299-E301 PolarHBondContact O-N 2.71Å; C299-E301 VanDerWaalsContact O-N 3.08Å; C299-H302 PolarHBondContact O-N 3.38Å; C299-H302 PolarHBondContact SG-ND1 3.08Å; C299-Y303 WeakPolarHBondContact O-CB 3.13Å; C299-Y303 PolarHBondContact O-N 3.26Å
300	R	85.8	Confident	85.5	Confident	91 Å²	91	45.8 Å²	45.8	34%	0.343	22%	0.218	S	C	.	.	H	α-helix	trans	-47.7	-38.9	178.5	-178.9	175.6	-70.4	-100.9	-9.6	113.8	T289 F291 K304	T289-R300 PolarHBondContact OG1-NH2 3.04Å; F291-R300 HydrophobicContact CE2-CB 3.82Å; F291-R300 HydrophobicContact CE2-CG 4.15Å; R300-K304 WeakPolarHBondContact O-CG 3.36Å; R300-K304 PolarHBondContact O-N 3.35Å
301	E	85.4	Confident	85.4	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-80.5	-41.9	-173.8	-169.1	57.6	-160.6	0	0	112.9	C299 K304 R305	C299-E301 PolarHBondContact O-N 2.71Å; C299-E301 VanDerWaalsContact O-N 3.08Å; E301-K304 PolarHBondContact O-N 3.09Å; E301-K304 IonicContact OE2-NZ 3.56Å; E301-K304 PolarHBondContact OE2-NZ 2.76Å; E301-R305 PolarHBondContact O-N 3.46Å; E301-R305 IonicContact OE1-CZ 3.71Å; E301-R305 IonicContact OE1-NE 2.66Å; E301-R305 IonicContact OE1-NH2 2.7Å; E301-R305 PolarHBondContact OE1-NH2 3.27Å
302	H	86.4	Confident	85.4	Confident	44 Å²	44	51.9 Å²	51.9	20%	0.204	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-34.7	174.1	-69.7	105.5	0	0	0	112.2	K279 C280 F298 C299 K304 R305 L306	K279-H302 HydrophobicContact CB-CB 4.21Å; C280-H302 VanDerWaalsContact CB-CE1 3.46Å; C280-H302 WeakPolarHBondContact CB-CE1 3.37Å; C280-H302 VanDerWaalsContact SG-CE1 3.51Å; C280-H302 PolarHBondContact SG-ND1 3.34Å; F298-H302 HydrophobicContact CD1-CB 4.3Å; C299-H302 PolarHBondContact O-N 3.38Å; C299-H302 PolarHBondContact SG-ND1 3.08Å; H302-K304 PolarHBondContact O-N 3.32Å; H302-R305 PolarHBondContact O-N 3.32Å; H302-L306 PolarHBondContact O-N 3.3Å
303	Y	85.4	Confident	85.4	Confident	46 Å²	46	53.2 Å²	53.2	18%	0.18	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-40.1	174.9	-174	-98.5	0	0	0	112.7	F291 K293 C299 R305 L306	F291-Y303 HydrophobicContact CB-CD1 4.12Å; F291-Y303 HydrophobicContact CB-CD2 3.42Å; F291-Y303 VanDerWaalsContact CB-CD2 3.42Å; F291-Y303 HydrophobicContact CB-CE2 3.95Å; F291-Y303 HydrophobicContact CB-CG 3.5Å; F291-Y303 AromaticContact CD1-CD1 3.29Å; F291-Y303 HydrophobicContact CD1-CD1 3.29Å; F291-Y303 HydrophobicContact CD1-CD2 4.13Å; F291-Y303 AromaticContact CD1-CE1 3.49Å; F291-Y303 HydrophobicContact CD1-CE1 3.49Å; F291-Y303 VanDerWaalsContact CD1-CE1 3.49Å; F291-Y303 HydrophobicContact CD1-CE2 4.28Å; F291-Y303 AromaticContact CD1-CG 3.64Å; F291-Y303 HydrophobicContact CD1-CG 3.64Å; F291-Y303 AromaticContact CD1-CZ 3.99Å; F291-Y303 HydrophobicContact CD2-CD1 4.47Å; F291-Y303 HydrophobicContact CD2-CG 4.28Å; F291-Y303 AromaticContact CE1-CD1 3.76Å; F291-Y303 HydrophobicContact CE1-CD1 3.76Å; F291-Y303 AromaticContact CE1-CE1 3.98Å; F291-Y303 HydrophobicContact CE1-CE1 3.98Å; F291-Y303 HydrophobicContact CE1-CG 4.44Å; F291-Y303 AromaticContact CG-CD1 3.71Å; F291-Y303 HydrophobicContact CG-CD1 3.71Å; F291-Y303 AromaticContact CG-CD2 3.98Å; F291-Y303 HydrophobicContact CG-CD2 3.98Å; F291-Y303 HydrophobicContact CG-CE1 4.27Å; F291-Y303 HydrophobicContact CG-CE2 4.49Å; F291-Y303 AromaticContact CG-CG 3.54Å; F291-Y303 HydrophobicContact CG-CG 3.54Å; K293-Y303 HydrophobicContact CB-CE2 4.44Å; C299-Y303 WeakPolarHBondContact O-CB 3.13Å; C299-Y303 PolarHBondContact O-N 3.26Å; Y303-R305 VanDerWaalsContact C-N 3.3Å; Y303-R305 PolarHBondContact O-N 2.79Å; Y303-L306 HydrophobicContact CD2-CD1 4.29Å; Y303-L306 WeakPolarHBondContact O-CB 3.3Å; Y303-L306 PolarHBondContact O-N 3.46Å
304	K	83.1	Confident	85.7	Confident	87 Å²	87	56.5 Å²	56.5	38%	0.378	29%	0.286	S	S	.	.	H	α-helix	trans	-57.2	-43.6	172.3	-72.8	171.7	-170.4	167.6	0	112	R300 E301 H302 L306 S307 S308	R300-K304 WeakPolarHBondContact O-CG 3.36Å; R300-K304 PolarHBondContact O-N 3.35Å; E301-K304 PolarHBondContact O-N 3.09Å; E301-K304 IonicContact OE2-NZ 3.56Å; E301-K304 PolarHBondContact OE2-NZ 2.76Å; H302-K304 PolarHBondContact O-N 3.32Å; K304-L306 VanDerWaalsContact C-N 3.27Å; K304-L306 PolarHBondContact O-N 3.31Å; K304-S307 CarbonylContact O-C 3.47Å; K304-S307 PolarHBondContact O-N 2.79Å; K304-S307 PolarHBondContact O-OG 3.2Å; K304-S308 PolarHBondContact O-N 2.78Å; K304-S308 PolarHBondContact O-OG 2.78Å
305	R	81.8	Confident	86.2	Confident	108 Å²	108	58.9 Å²	58.9	41%	0.408	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-31.3	-177.5	-70.6	-177.4	-176.7	129.6	16.1	112.9	E301 H302 Y303 S307 S308	E301-R305 PolarHBondContact O-N 3.46Å; E301-R305 IonicContact OE1-CZ 3.71Å; E301-R305 IonicContact OE1-NE 2.66Å; E301-R305 IonicContact OE1-NH2 2.7Å; E301-R305 PolarHBondContact OE1-NH2 3.27Å; H302-R305 PolarHBondContact O-N 3.32Å; Y303-R305 VanDerWaalsContact C-N 3.3Å; Y303-R305 PolarHBondContact O-N 2.79Å; R305-S307 PolarHBondContact O-N 2.79Å; R305-S308 PolarHBondContact O-N 2.72Å; R305-S308 VanDerWaalsContact O-N 3.11Å
306	L	81.2	Confident	86.5	Confident	26 Å²	26	53.5 Å²	53.5	14%	0.136	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-5.8	170.4	-57.1	177.9	0	0	0	114.5	F298 H302 Y303 K304 D328 L330	F298-L306 HydrophobicContact CD1-CD1 4.14Å; F298-L306 HydrophobicContact CD2-CD1 4.18Å; F298-L306 HydrophobicContact CE1-CD1 3.91Å; F298-L306 HydrophobicContact CE2-CD1 3.96Å; F298-L306 HydrophobicContact CG-CD1 4.27Å; F298-L306 HydrophobicContact CZ-CD1 3.83Å; H302-L306 PolarHBondContact O-N 3.3Å; Y303-L306 HydrophobicContact CD2-CD1 4.29Å; Y303-L306 WeakPolarHBondContact O-CB 3.3Å; Y303-L306 PolarHBondContact O-N 3.46Å; K304-L306 VanDerWaalsContact C-N 3.27Å; K304-L306 PolarHBondContact O-N 3.31Å; L306-D328 HydrophobicContact CD2-CB 3.69Å; L306-L330 WeakPolarHBondContact O-CD1 3.47Å
307	S	83.6	Confident	86.4	Confident	29 Å²	29	56.2 Å²	56.2	20%	0.203	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	16.1	176.8	66.1	0	0	0	0	113.3	K304 R305 K315 L316	K304-S307 CarbonylContact O-C 3.47Å; K304-S307 PolarHBondContact O-N 2.79Å; K304-S307 PolarHBondContact O-OG 3.2Å; R305-S307 PolarHBondContact O-N 2.79Å; S307-K315 WeakPolarHBondContact O-CG 3.37Å; S307-L316 PolarHBondContact O-N 3.24Å
308	S	87.9	Confident	86.2	Confident	19 Å²	19	61.4 Å²	61.4	13%	0.133	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-127.8	148.3	-176.9	-53.7	0	0	0	0	111.3	K304 R305 F310 I314	K304-S308 PolarHBondContact O-N 2.78Å; K304-S308 PolarHBondContact O-OG 2.78Å; R305-S308 PolarHBondContact O-N 2.72Å; R305-S308 VanDerWaalsContact O-N 3.11Å; S308-F310 PolarHBondContact O-N 3.33Å; S308-I314 WeakPolarHBondContact CA-O 3.4Å
309	C	90.5	Very high	85.9	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.007	34%	0.336	C	S	.	.			trans	-72.4	126.7	177	172.2	0	0	0	0	111.4	R311 C312 G313 I314 L316 L330 H332 C335	C309-R311 VanDerWaalsContact C-N 3.32Å; C309-R311 PolarHBondContact O-N 2.8Å; C309-C312 PolarHBondContact O-N 3.31Å; C309-G313 WeakPolarHBondContact O-CA 3.37Å; C309-G313 PolarHBondContact O-N 3.39Å; C309-I314 PolarHBondContact N-O 3.07Å; C309-L316 HydrophobicContact CB-CD2 4.08Å; C309-L316 HydrophobicContact CB-CG 4.47Å; C309-L330 CarbonylContact C-O 3.48Å; C309-L330 WeakPolarHBondContact CA-O 3.35Å; C309-H332 WeakPolarHBondContact CB-CE1 3.48Å; C309-H332 WeakPolarHBondContact CB-ND1 3.14Å; C309-H332 PolarHBondContact SG-N 3.46Å; C309-H332 VanDerWaalsContact SG-N 3.42Å; C309-H332 PolarHBondContact SG-ND1 3.3Å; C309-C335 WeakPolarHBondContact SG-CB 3.39Å; C309-C335 VanDerWaalsContact SG-SG 3.69Å
310	F	86.1	Confident	85.7	Confident	67 Å²	67	69.1 Å²	69.1	29%	0.294	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36	-176.1	-141.4	-79.9	0	0	0	113.4	S308 T329 L330 Y331 Q356	S308-F310 PolarHBondContact O-N 3.33Å; F310-T329 HydrophobicContact CD2-CG2 3.9Å; F310-T329 HydrophobicContact CE2-CG2 3.95Å; F310-L330 PolarHBondContact N-O 2.79Å; F310-Y331 HydrophobicContact CB-CD1 4.37Å; F310-Y331 HydrophobicContact CB-CE1 3.77Å; F310-Y331 HydrophobicContact CB-CE2 4.14Å; F310-Q356 HydrophobicContact CD1-CB 4.33Å; F310-Q356 HydrophobicContact CE1-CB 3.54Å; F310-Q356 HydrophobicContact CE1-CG 4.18Å; F310-Q356 VanDerWaalsContact CE1-OE1 3.3Å; F310-Q356 HydrophobicContact CZ-CB 3.98Å; F310-Q356 HydrophobicContact CZ-CG 4.13Å
311	R	86.9	Confident	85.8	Confident	91 Å²	91	68.3 Å²	68.3	34%	0.343	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-28.6	-178.2	-174.6	57.9	167.7	-95.9	3.1	114.8	C309 Y331 C335 T337 C338	C309-R311 VanDerWaalsContact C-N 3.32Å; C309-R311 PolarHBondContact O-N 2.8Å; R311-Y331 HydrophobicContact CB-CD1 3.91Å; R311-Y331 HydrophobicContact CB-CE1 4.02Å; R311-C335 HydrophobicContact CB-CB 3.9Å; R311-C335 HydrophobicContact CG-CB 4.24Å; R311-T337 VanDerWaalsContact CZ-OG1 3.24Å; R311-T337 PolarHBondContact NH1-O 3.31Å; R311-T337 PolarHBondContact NH1-OG1 3.18Å; R311-T337 PolarHBondContact NH2-OG1 3.42Å; R311-C338 PolarHBondContact NH2-O 3.22Å
312	C	89.3	Confident	85.9	Confident	58 Å²	58	64.8 Å²	64.8	39%	0.392	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-2.1	-169.2	65.5	0	0	0	0	114.9	C309 I314 H332 C335	C309-C312 PolarHBondContact O-N 3.31Å; C312-I314 PolarHBondContact O-N 3.16Å; C312-H332 VanDerWaalsContact SG-CE1 3.51Å; C312-C335 VanDerWaalsContact SG-SG 3.62Å
313	G	85.6	Confident	86	Confident	54 Å²	54	63.1 Å²	63.1	56%	0.557	32%	0.318	S	S	*	.			trans	71	-13.2	178.1	0	0	0	0	0	116	C309	C309-G313 WeakPolarHBondContact O-CA 3.37Å; C309-G313 PolarHBondContact O-N 3.39Å
314	I	86.9	Confident	86	Confident	107 Å²	107	63 Å²	63	55%	0.549	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.4	138.6	-179.2	-60.4	170.3	0	0	0	110.1	S308 C309 C312	S308-I314 WeakPolarHBondContact CA-O 3.4Å; C309-I314 PolarHBondContact N-O 3.07Å; C312-I314 PolarHBondContact O-N 3.16Å
315	K	88.4	Confident	85.9	Confident	143 Å²	143	59.5 Å²	59.5	62%	0.622	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-70.3	134.2	178.2	-173.7	-173.3	175.8	-174	0	111.2	S307	S307-K315 WeakPolarHBondContact O-CG 3.37Å
316	L	87.8	Confident	85.7	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-82	140.3	179.1	-59.2	163.5	0	0	0	111.4	L125 S307 C309 I322 L330 H332	L125-L316 HydrophobicContact CD1-CD1 4.4Å; L125-L316 HydrophobicContact CD2-CB 3.64Å; S307-L316 PolarHBondContact O-N 3.24Å; C309-L316 HydrophobicContact CB-CD2 4.08Å; C309-L316 HydrophobicContact CB-CG 4.47Å; L316-I322 HydrophobicContact CD1-CG2 4.08Å; L316-I322 HydrophobicContact CD2-CG2 3.73Å; L316-I322 HydrophobicContact CG-CG2 4.37Å; L316-L330 HydrophobicContact CD1-CB 3.56Å; L316-L330 HydrophobicContact CD1-CD1 3.72Å; L316-L330 HydrophobicContact CD1-CG 4.3Å; L316-H332 WeakPolarHBondContact CD2-CD2 3.47Å; L316-H332 WeakPolarHBondContact CD2-NE2 3.28Å
317	N	84.7	Confident	85.2	Confident	101 Å²	101	60.1 Å²	60.1	54%	0.54	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-90	156.7	172.9	-48	-75.5	0	0	0	111.2	L125 N319 D320	L125-N317 WeakPolarHBondContact CB-O 3.29Å; L125-N317 VanDerWaalsContact CD2-O 3.24Å; L125-N317 WeakPolarHBondContact CD2-O 3.37Å; N317-N319 PolarHBondContact O-N 3.23Å; N317-D320 WeakPolarHBondContact CB-OD1 3.35Å; N317-D320 PolarHBondContact N-OD2 2.79Å; N317-D320 PolarHBondContact ND2-OD1 3.09Å; N317-D320 VanDerWaalsContact ND2-OD1 3.1Å; N317-D320 PolarHBondContact ND2-OD2 3.33Å; N317-D320 PolarHBondContact O-N 2.84Å; N317-D320 VanDerWaalsContact O-N 3.08Å
318	K	82.7	Confident	84.7	Confident	120 Å²	120	60.7 Å²	60.7	52%	0.522	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.5	177	-70.6	-159.3	172.6	-146.5	0	114.4	I124 G126	I124-K318 WeakPolarHBondContact CG2-O 3.32Å; G126-K318 WeakPolarHBondContact CA-O 3.45Å; G126-K318 PolarHBondContact N-O 2.78Å
319	N	84.6	Confident	84.5	Confident	142 Å²	142	60 Å²	60	76%	0.759	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.2	-176.9	-62.8	24.8	0	0	0	112.8	N317	N317-N319 PolarHBondContact O-N 3.23Å
320	D	86.5	Confident	84.4	Confident	37 Å²	37	60.3 Å²	60.3	20%	0.198	31%	0.308	C	S	.	.			trans	-74.8	140.8	-177.9	-63	-10.4	0	0	0	110.5	L125 N317 I322	L125-D320 PolarHBondContact N-O 3.37Å; L125-D320 VanDerWaalsContact N-O 3.15Å; N317-D320 WeakPolarHBondContact CB-OD1 3.35Å; N317-D320 PolarHBondContact N-OD2 2.79Å; N317-D320 PolarHBondContact ND2-OD1 3.09Å; N317-D320 VanDerWaalsContact ND2-OD1 3.1Å; N317-D320 PolarHBondContact ND2-OD2 3.33Å; N317-D320 PolarHBondContact O-N 2.84Å; N317-D320 VanDerWaalsContact O-N 3.08Å; D320-I322 HydrophobicContact CB-CG2 4.27Å
321	L	86.6	Confident	84.6	Confident	74 Å²	74	57.3 Å²	57.3	39%	0.387	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.4	167.4	-69	173.3	0	0	0	109.3	I124 E333	I124-L321 HydrophobicContact CG1-CD2 3.75Å; L321-E333 HydrophobicContact CB-CB 4.35Å; L321-E333 PolarHBondContact O-N 3.14Å
322	I	88.8	Confident	84.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.5	-174.5	65.7	141.7	0	0	0	112.7	P122 L123 L125 L128 L316 D320 L330 Y331	P122-I322 CarbonylContact C-O 3.55Å; P122-I322 WeakPolarHBondContact CA-O 3.45Å; L123-I322 HydrophobicContact CB-CG1 4.46Å; L123-I322 PolarHBondContact N-O 2.94Å; L123-I322 VanDerWaalsContact O-CG1 3.29Å; L123-I322 WeakPolarHBondContact O-CG1 3.42Å; L123-I322 PolarHBondContact O-N 3.49Å; L125-I322 HydrophobicContact CB-CG1 4.45Å; L125-I322 HydrophobicContact CD1-CD1 3.64Å; L125-I322 HydrophobicContact CD1-CG1 4.31Å; L128-I322 HydrophobicContact CD1-CD1 3.88Å; L316-I322 HydrophobicContact CD1-CG2 4.08Å; L316-I322 HydrophobicContact CD2-CG2 3.73Å; L316-I322 HydrophobicContact CG-CG2 4.37Å; D320-I322 HydrophobicContact CB-CG2 4.27Å; I322-L330 HydrophobicContact CD1-CB 4.3Å; I322-L330 HydrophobicContact CD1-CD1 4.25Å; I322-L330 HydrophobicContact CD1-CD2 3.89Å; I322-L330 HydrophobicContact CD1-CG 4.37Å; I322-Y331 CarbonylContact C-O 3.36Å; I322-Y331 WeakPolarHBondContact CA-O 3.35Å; I322-Y331 VanDerWaalsContact CB-O 3.26Å; I322-Y331 WeakPolarHBondContact CB-O 3.28Å
323	F	87.6	Confident	84.8	Confident	9 Å²	9	56 Å²	56	4%	0.039	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.1	162.5	-71.2	-91.9	0	0	0	108.6	I120 P122 L330 Y331 E333 F336	I120-F323 HydrophobicContact CB-CD1 4.39Å; I120-F323 HydrophobicContact CG2-CB 4.45Å; I120-F323 HydrophobicContact CG2-CD1 3.78Å; P122-F323 HydrophobicContact CB-CE2 4.4Å; P122-F323 HydrophobicContact CB-CZ 4.26Å; F323-L330 CarbonylContact O-C 3.56Å; F323-Y331 PolarHBondContact N-O 3.19Å; F323-Y331 PolarHBondContact O-N 3.16Å; F323-E333 HydrophobicContact CE2-CB 4.45Å; F323-E333 HydrophobicContact CE2-CG 4.28Å; F323-F336 HydrophobicContact CB-CB 4.18Å; F323-F336 HydrophobicContact CB-CD1 4.1Å; F323-F336 HydrophobicContact CB-CD2 3.69Å; F323-F336 HydrophobicContact CB-CE1 4.44Å; F323-F336 HydrophobicContact CB-CE2 4.07Å; F323-F336 HydrophobicContact CB-CG 3.72Å; F323-F336 HydrophobicContact CB-CZ 4.44Å; F323-F336 AromaticContact CD1-CD1 3.64Å; F323-F336 HydrophobicContact CD1-CD1 3.64Å; F323-F336 AromaticContact CD1-CE1 3.73Å; F323-F336 HydrophobicContact CD1-CE1 3.73Å; F323-F336 HydrophobicContact CD1-CG 4.15Å; F323-F336 HydrophobicContact CD1-CZ 4.32Å; F323-F336 HydrophobicContact CD2-CB 3.5Å; F323-F336 AromaticContact CD2-CD1 3.72Å; F323-F336 HydrophobicContact CD2-CD1 3.72Å; F323-F336 HydrophobicContact CD2-CD2 4.48Å; F323-F336 AromaticContact CD2-CG 3.66Å; F323-F336 HydrophobicContact CD2-CG 3.66Å; F323-F336 AromaticContact CE1-CD1 3.93Å; F323-F336 HydrophobicContact CE1-CD1 3.93Å; F323-F336 HydrophobicContact CE1-CE1 4.1Å; F323-F336 HydrophobicContact CE2-CB 4.08Å; F323-F336 AromaticContact CE2-CD1 3.99Å; F323-F336 HydrophobicContact CE2-CD1 3.99Å; F323-F336 HydrophobicContact CE2-CG 4.3Å; F323-F336 HydrophobicContact CG-CB 3.95Å; F323-F336 AromaticContact CG-CD1 3.53Å; F323-F336 HydrophobicContact CG-CD1 3.53Å; F323-F336 HydrophobicContact CG-CD2 4.06Å; F323-F336 HydrophobicContact CG-CE1 4.02Å; F323-F336 HydrophobicContact CG-CE2 4.49Å; F323-F336 AromaticContact CG-CG 3.57Å; F323-F336 HydrophobicContact CG-CG 3.57Å; F323-F336 HydrophobicContact CG-CZ 4.48Å; F323-F336 HydrophobicContact CZ-CD1 4.1Å
324	Q	85.7	Confident	85	Confident	43 Å²	43	57.8 Å²	57.8	20%	0.201	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.5	171.1	179.7	167.7	33.7	0	0	108	I120 N326 Y327 L330	I120-Q324 WeakPolarHBondContact CG2-O 3.41Å; Q324-N326 WeakPolarHBondContact CG-O 3.2Å; Q324-Y327 PolarHBondContact NE2-O 3.08Å; Q324-Y327 VanDerWaalsContact NE2-O 3.16Å; Q324-L330 HydrophobicContact CB-CD2 3.86Å; Q324-L330 HydrophobicContact CG-CD2 3.63Å
325	V	81.4	Confident	85.3	Confident	15 Å²	15	53.5 Å²	53.5	9%	0.091	27%	0.27	C	S	.	.	S	Bend	trans	-87.8	-55.5	-179.6	177.2	0	0	0	0	110.3	I120 T329 Y331 F336 Y351 L353	I120-V325 HydrophobicContact CD1-CB 4.42Å; I120-V325 HydrophobicContact CD1-CG2 4.18Å; V325-T329 PolarHBondContact N-O 3.44Å; V325-Y331 HydrophobicContact CG2-CD2 4.07Å; V325-Y331 HydrophobicContact CG2-CE2 3.94Å; V325-F336 HydrophobicContact CG2-CD2 4.46Å; V325-F336 HydrophobicContact CG2-CE2 3.58Å; V325-F336 HydrophobicContact CG2-CZ 4.31Å; V325-Y351 HydrophobicContact CG1-CE2 4.02Å; V325-L353 HydrophobicContact CG1-CD2 4.04Å
326	N	76.7	Confident	85.4	Confident	63 Å²	63	46.9 Å²	46.9	34%	0.337	24%	0.242	S	C	.	.	S	Bend	trans	-119	172	168.5	-52.8	-26.7	0	0	0	108.5	Q324 D328 T329	Q324-N326 WeakPolarHBondContact CG-O 3.2Å; N326-D328 PolarHBondContact O-N 3.31Å; N326-T329 VanDerWaalsContact CB-OG1 3.28Å; N326-T329 WeakPolarHBondContact CB-OG1 3.5Å; N326-T329 PolarHBondContact N-OG1 3.31Å; N326-T329 PolarHBondContact O-N 3.47Å; N326-T329 VanDerWaalsContact O-N 3.14Å
327	Y	69.9	Low	85.6	Confident	84 Å²	84	47.6 Å²	47.6	33%	0.329	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-34.7	176.4	179.5	-99.1	0	0	0	114.1	K293 M296 Q324	K293-Y327 WeakPolarHBondContact CD-OH 3.44Å; M296-Y327 HydrophobicContact CE-CE1 3.79Å; Q324-Y327 PolarHBondContact NE2-O 3.08Å; Q324-Y327 VanDerWaalsContact NE2-O 3.16Å
328	D	73.6	Confident	86	Confident	40 Å²	40	42.8 Å²	42.8	21%	0.214	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	0.1	-176.9	62.8	-43.2	0	0	0	116	K279 L306 N326	K279-D328 WeakPolarHBondContact CE-OD2 3.46Å; K279-D328 IonicContact NZ-OD1 2.87Å; K279-D328 PolarHBondContact NZ-OD1 2.98Å; K279-D328 IonicContact NZ-OD2 2.95Å; K279-D328 PolarHBondContact NZ-OD2 3.28Å; L306-D328 HydrophobicContact CD2-CB 3.69Å; N326-D328 PolarHBondContact O-N 3.31Å
329	T	84.3	Confident	86.4	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.037	22%	0.224	C	C	.	.			trans	-113.1	87.6	-177.8	51.4	0	0	0	0	111.5	F310 V325 N326	F310-T329 HydrophobicContact CD2-CG2 3.9Å; F310-T329 HydrophobicContact CE2-CG2 3.95Å; V325-T329 PolarHBondContact N-O 3.44Å; N326-T329 VanDerWaalsContact CB-OG1 3.28Å; N326-T329 WeakPolarHBondContact CB-OG1 3.5Å; N326-T329 PolarHBondContact N-OG1 3.31Å; N326-T329 PolarHBondContact O-N 3.47Å; N326-T329 VanDerWaalsContact O-N 3.14Å
330	L	88.7	Confident	86.6	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	145	179.1	-48.3	-175.6	0	0	0	111.2	L125 L306 C309 F310 L316 I322 F323 Q324	L125-L330 HydrophobicContact CD1-CD1 3.95Å; L306-L330 WeakPolarHBondContact O-CD1 3.47Å; C309-L330 CarbonylContact C-O 3.48Å; C309-L330 WeakPolarHBondContact CA-O 3.35Å; F310-L330 PolarHBondContact N-O 2.79Å; L316-L330 HydrophobicContact CD1-CB 3.56Å; L316-L330 HydrophobicContact CD1-CD1 3.72Å; L316-L330 HydrophobicContact CD1-CG 4.3Å; I322-L330 HydrophobicContact CD1-CB 4.3Å; I322-L330 HydrophobicContact CD1-CD1 4.25Å; I322-L330 HydrophobicContact CD1-CD2 3.89Å; I322-L330 HydrophobicContact CD1-CG 4.37Å; F323-L330 CarbonylContact O-C 3.56Å; Q324-L330 HydrophobicContact CB-CD2 3.86Å; Q324-L330 HydrophobicContact CG-CD2 3.63Å
331	Y	89.6	Confident	86.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.4	175.7	-65.2	-97.1	0	0	0	109.7	F310 R311 I322 F323 V325 F336 Q356 I358	F310-Y331 HydrophobicContact CB-CD1 4.37Å; F310-Y331 HydrophobicContact CB-CE1 3.77Å; F310-Y331 HydrophobicContact CB-CE2 4.14Å; R311-Y331 HydrophobicContact CB-CD1 3.91Å; R311-Y331 HydrophobicContact CB-CE1 4.02Å; I322-Y331 CarbonylContact C-O 3.36Å; I322-Y331 WeakPolarHBondContact CA-O 3.35Å; I322-Y331 VanDerWaalsContact CB-O 3.26Å; I322-Y331 WeakPolarHBondContact CB-O 3.28Å; F323-Y331 PolarHBondContact N-O 3.19Å; F323-Y331 PolarHBondContact O-N 3.16Å; V325-Y331 HydrophobicContact CG2-CD2 4.07Å; V325-Y331 HydrophobicContact CG2-CE2 3.94Å; Y331-F336 HydrophobicContact CD2-CD2 4.19Å; Y331-F336 HydrophobicContact CG-CD2 4.08Å; Y331-Q356 PolarHBondContact OH-O 3.22Å; Y331-I358 HydrophobicContact CD1-CD1 3.98Å; Y331-I358 HydrophobicContact CD2-CD1 4.08Å; Y331-I358 HydrophobicContact CE1-CD1 3.52Å; Y331-I358 HydrophobicContact CE1-CG1 4.38Å; Y331-I358 HydrophobicContact CE2-CD1 3.64Å; Y331-I358 HydrophobicContact CE2-CG1 4.48Å; Y331-I358 HydrophobicContact CG-CD1 4.24Å
332	H	91.1	Very high	87.1	Confident	31 Å²	31	41.1 Å²	41.1	14%	0.144	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	152.5	161	-54.6	96.6	0	0	0	109.2	C309 C312 L316 S334 C335 F336	C309-H332 WeakPolarHBondContact CB-CE1 3.48Å; C309-H332 WeakPolarHBondContact CB-ND1 3.14Å; C309-H332 PolarHBondContact SG-N 3.46Å; C309-H332 VanDerWaalsContact SG-N 3.42Å; C309-H332 PolarHBondContact SG-ND1 3.3Å; C312-H332 VanDerWaalsContact SG-CE1 3.51Å; L316-H332 WeakPolarHBondContact CD2-CD2 3.47Å; L316-H332 WeakPolarHBondContact CD2-NE2 3.28Å; H332-S334 VanDerWaalsContact C-N 3.29Å; H332-S334 PolarHBondContact O-N 2.98Å; H332-C335 HydrophobicContact CB-CB 3.91Å; H332-C335 PolarHBondContact ND1-SG 3.33Å; H332-C335 VanDerWaalsContact ND1-SG 3.4Å; H332-C335 WeakPolarHBondContact O-CA 3.5Å; H332-C335 WeakPolarHBondContact O-CB 2.87Å; H332-C335 PolarHBondContact O-N 2.86Å; H332-F336 PolarHBondContact O-N 3.16Å; H332-F336 VanDerWaalsContact O-N 3.16Å
333	E	89.5	Confident	87.2	Confident	92 Å²	92	46 Å²	46	43%	0.43	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-43.7	-54.1	167.5	-179.1	175.2	-156.3	0	0	112.2	L321 F323 C335 F336 L344	L321-E333 HydrophobicContact CB-CB 4.35Å; L321-E333 PolarHBondContact O-N 3.14Å; F323-E333 HydrophobicContact CE2-CB 4.45Å; F323-E333 HydrophobicContact CE2-CG 4.28Å; E333-C335 PolarHBondContact O-N 2.85Å; E333-C335 VanDerWaalsContact O-N 3.17Å; E333-F336 PolarHBondContact O-N 3.05Å; E333-L344 VanDerWaalsContact O-CD1 3.3Å; E333-L344 WeakPolarHBondContact O-CD1 3.12Å
334	S	90.4	Very high	87.3	Confident	90 Å²	90	48.9 Å²	48.9	63%	0.629	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16.9	178.5	60.2	0	0	0	0	115.5	H332	H332-S334 VanDerWaalsContact C-N 3.29Å; H332-S334 PolarHBondContact O-N 2.98Å
335	C	91.9	Very high	87.5	Confident	17 Å²	17	46.9 Å²	46.9	12%	0.115	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-98	-9.7	-177.3	-73.8	0	0	0	0	113.4	C309 R311 C312 H332 E333 T337	C309-C335 WeakPolarHBondContact SG-CB 3.39Å; C309-C335 VanDerWaalsContact SG-SG 3.69Å; R311-C335 HydrophobicContact CB-CB 3.9Å; R311-C335 HydrophobicContact CG-CB 4.24Å; C312-C335 VanDerWaalsContact SG-SG 3.62Å; H332-C335 HydrophobicContact CB-CB 3.91Å; H332-C335 PolarHBondContact ND1-SG 3.33Å; H332-C335 VanDerWaalsContact ND1-SG 3.4Å; H332-C335 WeakPolarHBondContact O-CA 3.5Å; H332-C335 WeakPolarHBondContact O-CB 2.87Å; H332-C335 PolarHBondContact O-N 2.86Å; E333-C335 PolarHBondContact O-N 2.85Å; E333-C335 VanDerWaalsContact O-N 3.17Å; C335-T337 PolarHBondContact O-N 2.73Å
336	F	91.7	Very high	87.7	Confident	5 Å²	5	53 Å²	53	2%	0.022	28%	0.275	C	S	.	.			trans	-81.1	60.8	177.7	-163.3	-116.6	0	0	0	110.5	F323 V325 Y331 H332 E333 L345 Y351 I358	F323-F336 HydrophobicContact CB-CB 4.18Å; F323-F336 HydrophobicContact CB-CD1 4.1Å; F323-F336 HydrophobicContact CB-CD2 3.69Å; F323-F336 HydrophobicContact CB-CE1 4.44Å; F323-F336 HydrophobicContact CB-CE2 4.07Å; F323-F336 HydrophobicContact CB-CG 3.72Å; F323-F336 HydrophobicContact CB-CZ 4.44Å; F323-F336 AromaticContact CD1-CD1 3.64Å; F323-F336 HydrophobicContact CD1-CD1 3.64Å; F323-F336 AromaticContact CD1-CE1 3.73Å; F323-F336 HydrophobicContact CD1-CE1 3.73Å; F323-F336 HydrophobicContact CD1-CG 4.15Å; F323-F336 HydrophobicContact CD1-CZ 4.32Å; F323-F336 HydrophobicContact CD2-CB 3.5Å; F323-F336 AromaticContact CD2-CD1 3.72Å; F323-F336 HydrophobicContact CD2-CD1 3.72Å; F323-F336 HydrophobicContact CD2-CD2 4.48Å; F323-F336 AromaticContact CD2-CG 3.66Å; F323-F336 HydrophobicContact CD2-CG 3.66Å; F323-F336 AromaticContact CE1-CD1 3.93Å; F323-F336 HydrophobicContact CE1-CD1 3.93Å; F323-F336 HydrophobicContact CE1-CE1 4.1Å; F323-F336 HydrophobicContact CE2-CB 4.08Å; F323-F336 AromaticContact CE2-CD1 3.99Å; F323-F336 HydrophobicContact CE2-CD1 3.99Å; F323-F336 HydrophobicContact CE2-CG 4.3Å; F323-F336 HydrophobicContact CG-CB 3.95Å; F323-F336 AromaticContact CG-CD1 3.53Å; F323-F336 HydrophobicContact CG-CD1 3.53Å; F323-F336 HydrophobicContact CG-CD2 4.06Å; F323-F336 HydrophobicContact CG-CE1 4.02Å; F323-F336 HydrophobicContact CG-CE2 4.49Å; F323-F336 AromaticContact CG-CG 3.57Å; F323-F336 HydrophobicContact CG-CG 3.57Å; F323-F336 HydrophobicContact CG-CZ 4.48Å; F323-F336 HydrophobicContact CZ-CD1 4.1Å; V325-F336 HydrophobicContact CG2-CD2 4.46Å; V325-F336 HydrophobicContact CG2-CE2 3.58Å; V325-F336 HydrophobicContact CG2-CZ 4.31Å; Y331-F336 HydrophobicContact CD2-CD2 4.19Å; Y331-F336 HydrophobicContact CG-CD2 4.08Å; H332-F336 PolarHBondContact O-N 3.16Å; H332-F336 VanDerWaalsContact O-N 3.16Å; E333-F336 PolarHBondContact O-N 3.05Å; F336-L345 HydrophobicContact CD1-CB 3.61Å; F336-L345 HydrophobicContact CE1-CB 3.61Å; F336-L345 HydrophobicContact CE1-CD1 4.29Å; F336-L345 HydrophobicContact CZ-CD1 4.44Å; F336-L345 WeakPolarHBondContact O-CB 3.49Å; F336-L345 PolarHBondContact O-N 2.9Å; F336-Y351 HydrophobicContact CZ-CD1 4.12Å; F336-Y351 HydrophobicContact CZ-CE1 4.07Å; F336-I358 HydrophobicContact CD2-CD1 3.54Å; F336-I358 HydrophobicContact CE2-CD1 3.48Å; F336-I358 VanDerWaalsContact CE2-CD1 3.48Å
337	T	92.4	Very high	87.8	Confident	21 Å²	21	55.6 Å²	55.6	13%	0.129	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-111.5	153.6	-179.6	56.5	0	0	0	0	110.7	R311 C335 G342 R343 L344	R311-T337 VanDerWaalsContact CZ-OG1 3.24Å; R311-T337 PolarHBondContact NH1-O 3.31Å; R311-T337 PolarHBondContact NH1-OG1 3.18Å; R311-T337 PolarHBondContact NH2-OG1 3.42Å; C335-T337 PolarHBondContact O-N 2.73Å; T337-G342 WeakPolarHBondContact CB-O 3.31Å; T337-G342 WeakPolarHBondContact CG2-O 3.4Å; T337-R343 CarbonylContact C-O 3.48Å; T337-R343 VanDerWaalsContact CA-O 3.23Å; T337-R343 WeakPolarHBondContact CA-O 3.2Å; T337-L344 HydrophobicContact CG2-CB 4.27Å; T337-L344 HydrophobicContact CG2-CD1 3.86Å
338	C	93	Very high	88.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.			trans	-59	140.5	166.1	176.1	0	0	0	0	110.6	R311 T340 C341 G342 R343 I358 C360	R311-C338 PolarHBondContact NH2-O 3.22Å; C338-T340 PolarHBondContact SG-N 2.71Å; C338-T340 VanDerWaalsContact SG-N 3.36Å; C338-C341 VanDerWaalsContact SG-SG 3.63Å; C338-G342 VanDerWaalsContact O-CA 3.26Å; C338-G342 WeakPolarHBondContact O-CA 3.46Å; C338-G342 PolarHBondContact O-N 2.85Å; C338-G342 VanDerWaalsContact O-N 3.09Å; C338-R343 PolarHBondContact N-O 3.1Å; C338-I358 CarbonylContact C-O 3.57Å; C338-I358 WeakPolarHBondContact CA-O 3.45Å; C338-C360 HydrophobicContact CB-CB 4.02Å; C338-C360 PolarHBondContact SG-N 3.33Å; C338-C360 VanDerWaalsContact SG-N 3.39Å
339	Y	89.8	Confident	88.9	Confident	151 Å²	151	54.4 Å²	54.4	59%	0.592	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-49.7	173.5	-172	-97.7	0	0	0	111.4	T357 I358	Y339-T357 HydrophobicContact CD2-CG2 4.45Å; Y339-I358 WeakPolarHBondContact CB-O 3.3Å; Y339-I358 PolarHBondContact N-O 3.09Å
340	T	90.2	Very high	89	Confident	80 Å²	80	58.2 Å²	58.2	49%	0.491	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-39.5	-173.2	-40.2	0	0	0	0	114.4	C338 H363	C338-T340 PolarHBondContact SG-N 2.71Å; C338-T340 VanDerWaalsContact SG-N 3.36Å; T340-H363 HydrophobicContact CG2-CB 4.32Å
341	C	92.4	Very high	89	Confident	63 Å²	63	59.5 Å²	59.5	43%	0.426	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	2.5	-174.4	68.2	0	0	0	0	115.2	C338 R343 H363	C338-C341 VanDerWaalsContact SG-SG 3.63Å; C341-R343 PolarHBondContact O-N 2.93Å; C341-R343 VanDerWaalsContact SG-CB 3.54Å; C341-H363 VanDerWaalsContact CB-CE1 3.46Å; C341-H363 WeakPolarHBondContact CB-CE1 3.16Å; C341-H363 PolarHBondContact SG-CE1 3.34Å
342	G	90.3	Very high	88.8	Confident	44 Å²	44	61.8 Å²	61.8	45%	0.454	33%	0.333	S	S	.	.			trans	66.2	-2.1	-178	0	0	0	0	0	115.9	T337 C338 L344	T337-G342 WeakPolarHBondContact CB-O 3.31Å; T337-G342 WeakPolarHBondContact CG2-O 3.4Å; C338-G342 VanDerWaalsContact O-CA 3.26Å; C338-G342 WeakPolarHBondContact O-CA 3.46Å; C338-G342 PolarHBondContact O-N 2.85Å; C338-G342 VanDerWaalsContact O-N 3.09Å; G342-L344 PolarHBondContact O-N 3.07Å
343	R	90.8	Very high	88.5	Confident	101 Å²	101	62.7 Å²	62.7	38%	0.381	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-58.8	125.4	-178.4	-174.7	177.1	81.8	84.9	-26.3	110.9	T337 C338 C341 L345 D349	T337-R343 CarbonylContact C-O 3.48Å; T337-R343 VanDerWaalsContact CA-O 3.23Å; T337-R343 WeakPolarHBondContact CA-O 3.2Å; C338-R343 PolarHBondContact N-O 3.1Å; C341-R343 PolarHBondContact O-N 2.93Å; C341-R343 VanDerWaalsContact SG-CB 3.54Å; R343-L345 PolarHBondContact O-N 2.89Å; R343-D349 IonicContact CZ-OD1 3.44Å; R343-D349 IonicContact CZ-OD2 3.59Å; R343-D349 VanDerWaalsContact NH1-CG 3.29Å; R343-D349 IonicContact NH1-OD1 2.74Å; R343-D349 PolarHBondContact NH1-OD1 3.18Å; R343-D349 IonicContact NH1-OD2 3.5Å; R343-D349 PolarHBondContact NH1-OD2 3.41Å; R343-D349 VanDerWaalsContact NH2-CG 3.26Å; R343-D349 IonicContact NH2-OD1 3.98Å; R343-D349 PolarHBondContact NH2-OD1 2.97Å; R343-D349 IonicContact NH2-OD2 2.68Å
344	L	90.6	Very high	88	Confident	71 Å²	71	61.1 Å²	61.1	37%	0.372	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-61.4	126.1	169.3	-170.9	68.7	0	0	0	110.3	E333 T337 G342	E333-L344 VanDerWaalsContact O-CD1 3.3Å; E333-L344 WeakPolarHBondContact O-CD1 3.12Å; T337-L344 HydrophobicContact CG2-CB 4.27Å; T337-L344 HydrophobicContact CG2-CD1 3.86Å; G342-L344 PolarHBondContact O-N 3.07Å
345	L	89.1	Confident	87.1	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-88.3	133.2	174.3	-67.2	163.4	0	0	0	108.4	F336 R343 D349 Y351 I358 C360	F336-L345 HydrophobicContact CD1-CB 3.61Å; F336-L345 HydrophobicContact CE1-CB 3.61Å; F336-L345 HydrophobicContact CE1-CD1 4.29Å; F336-L345 HydrophobicContact CZ-CD1 4.44Å; F336-L345 WeakPolarHBondContact O-CB 3.49Å; F336-L345 PolarHBondContact O-N 2.9Å; R343-L345 PolarHBondContact O-N 2.89Å; L345-D349 WeakPolarHBondContact CA-OD2 3.34Å; L345-D349 HydrophobicContact CB-CB 4.32Å; L345-D349 HydrophobicContact CD2-CB 3.68Å; L345-Y351 HydrophobicContact CD1-CG 4.42Å; L345-I358 HydrophobicContact CD1-CG2 3.38Å; L345-C360 HydrophobicContact CD2-CB 3.81Å
346	K	84.7	Confident	86.1	Confident	144 Å²	144	69.2 Å²	69.2	63%	0.626	36%	0.362	S	S	*	.			trans	-109.4	169.9	178.8	-64.5	-174.3	177.3	-175.9	0	110.1	G348 D349	K346-G348 PolarHBondContact O-N 3.47Å; K346-D349 PolarHBondContact N-OD2 2.77Å; K346-D349 WeakPolarHBondContact O-CB 3.43Å; K346-D349 PolarHBondContact O-N 2.85Å
347	Y	78.8	Confident	85.7	Confident	117 Å²	117	71.3 Å²	71.3	46%	0.459	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	125	167.1	177.5	-97.6	0	0	0	110.7	N119 K121	N119-Y347 HydrophobicContact CB-CE2 3.65Å; N119-Y347 VanDerWaalsContact O-CE2 3.31Å; N119-Y347 WeakPolarHBondContact O-CE2 3.17Å; K121-Y347 HydrophobicContact CB-CD2 4.36Å; K121-Y347 HydrophobicContact CD-CE2 4.04Å; K121-Y347 VanDerWaalsContact CE-CE2 3.44Å; K121-Y347 WeakPolarHBondContact CE-OH 3.26Å; K121-Y347 HydrophobicContact CG-CD2 3.49Å; K121-Y347 VanDerWaalsContact CG-CD2 3.49Å; K121-Y347 HydrophobicContact CG-CE2 3.29Å
348	G	80.5	Confident	85.5	Confident	52 Å²	52	70.4 Å²	70.4	54%	0.536	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-5.9	-176.5	0	0	0	0	0	115.9	K346	K346-G348 PolarHBondContact O-N 3.47Å
349	D	86.4	Confident	85.4	Confident	46 Å²	46	71.7 Å²	71.7	25%	0.246	38%	0.376	C	S	.	.			trans	-74.7	133.5	171.7	-84.1	-52	0	0	0	111.8	R343 L345 K346	R343-D349 IonicContact CZ-OD1 3.44Å; R343-D349 IonicContact CZ-OD2 3.59Å; R343-D349 VanDerWaalsContact NH1-CG 3.29Å; R343-D349 IonicContact NH1-OD1 2.74Å; R343-D349 PolarHBondContact NH1-OD1 3.18Å; R343-D349 IonicContact NH1-OD2 3.5Å; R343-D349 PolarHBondContact NH1-OD2 3.41Å; R343-D349 VanDerWaalsContact NH2-CG 3.26Å; R343-D349 IonicContact NH2-OD1 3.98Å; R343-D349 PolarHBondContact NH2-OD1 2.97Å; R343-D349 IonicContact NH2-OD2 2.68Å; L345-D349 WeakPolarHBondContact CA-OD2 3.34Å; L345-D349 HydrophobicContact CB-CB 4.32Å; L345-D349 HydrophobicContact CD2-CB 3.68Å; K346-D349 PolarHBondContact N-OD2 2.77Å; K346-D349 WeakPolarHBondContact O-CB 3.43Å; K346-D349 PolarHBondContact O-N 2.85Å
350	T	86.7	Confident	85.4	Confident	86 Å²	86	64.5 Å²	64.5	53%	0.528	35%	0.347	S	S	.	.			trans	-81.8	133.7	173.8	44	0	0	0	0	112.1	S361	T350-S361 PolarHBondContact O-N 2.91Å; T350-S361 PolarHBondContact O-OG 3.22Å; T350-S361 VanDerWaalsContact OG1-CB 3.23Å; T350-S361 WeakPolarHBondContact OG1-CB 3.45Å; T350-S361 PolarHBondContact OG1-OG 3.41Å
351	Y	88.5	Confident	85.3	Confident	33 Å²	33	63.5 Å²	63.5	13%	0.129	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.5	-177.2	71.9	-88.4	0	0	0	111.4	I120 V325 F336 L345 I358 Q359	I120-Y351 HydrophobicContact CD1-CE1 4.17Å; I120-Y351 WeakPolarHBondContact CD1-OH 3.17Å; V325-Y351 HydrophobicContact CG1-CE2 4.02Å; F336-Y351 HydrophobicContact CZ-CD1 4.12Å; F336-Y351 HydrophobicContact CZ-CE1 4.07Å; L345-Y351 HydrophobicContact CD1-CG 4.42Å; Y351-I358 HydrophobicContact CD2-CG2 3.86Å; Y351-I358 HydrophobicContact CG-CG2 4.09Å; Y351-Q359 CarbonylContact C-O 3.57Å; Y351-Q359 WeakPolarHBondContact CA-O 3.27Å; Y351-Q359 VanDerWaalsContact CB-O 3.26Å; Y351-Q359 WeakPolarHBondContact CB-O 3.44Å
352	I	86.2	Confident	84.8	Confident	53 Å²	53	64.2 Å²	64.2	27%	0.272	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.3	174.2	-66.6	-177.5	0	0	0	109	E354 I358 Q359 T364	I352-E354 HydrophobicContact CG2-CG 3.89Å; I352-I358 WeakPolarHBondContact O-CA 3.45Å; I352-Q359 PolarHBondContact N-O 2.77Å; I352-Q359 PolarHBondContact O-N 2.87Å; I352-T364 HydrophobicContact CD1-CG2 3.45Å; I352-T364 VanDerWaalsContact CD1-CG2 3.45Å; I352-T364 VanDerWaalsContact CD1-OG1 3.28Å; I352-T364 WeakPolarHBondContact CD1-OG1 3.31Å
353	L	84.8	Confident	84.6	Confident	49 Å²	49	64.9 Å²	64.9	26%	0.257	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	77.2	176.5	-172.7	75.6	0	0	0	110.7	V325 T357 I358	V325-L353 HydrophobicContact CG1-CD2 4.04Å; L353-T357 CarbonylContact C-O 3.35Å; L353-T357 WeakPolarHBondContact CA-O 3.45Å; L353-I358 HydrophobicContact CD1-CG1 3.76Å
354	E	78.8	Confident	83.5	Confident	60 Å²	60	62.6 Å²	62.6	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.2	174.2	-86.8	-177	-168.8	0	0	110.8	I352 Q356 T357 T367	I352-E354 HydrophobicContact CG2-CG 3.89Å; E354-Q356 PolarHBondContact O-N 2.86Å; E354-Q356 VanDerWaalsContact O-N 3.09Å; E354-T357 PolarHBondContact N-O 2.81Å; E354-T357 VanDerWaalsContact N-O 3.16Å; E354-T357 WeakPolarHBondContact O-CA 3.34Å; E354-T357 PolarHBondContact O-N 3.25Å; E354-T357 PolarHBondContact O-OG1 2.85Å; E354-T367 WeakPolarHBondContact OE2-CB 3.47Å; E354-T367 PolarHBondContact OE2-OG1 3.19Å
355	N	72.5	Confident	81.7	Confident	153 Å²	153	64.3 Å²	64.3	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	39.5	178.5	-66.1	-31.3	0	0	0	114.3	T357	N355-T357 PolarHBondContact O-N 3.24Å
356	Q	70.8	Confident	80	Confident	124 Å²	124	70.9 Å²	70.9	58%	0.579	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	6.1	-177.5	-46.7	160.8	13.8	0	0	114.7	F310 Y331 E354	F310-Q356 HydrophobicContact CD1-CB 4.33Å; F310-Q356 HydrophobicContact CE1-CB 3.54Å; F310-Q356 HydrophobicContact CE1-CG 4.18Å; F310-Q356 VanDerWaalsContact CE1-OE1 3.3Å; F310-Q356 HydrophobicContact CZ-CB 3.98Å; F310-Q356 HydrophobicContact CZ-CG 4.13Å; Y331-Q356 PolarHBondContact OH-O 3.22Å; E354-Q356 PolarHBondContact O-N 2.86Å; E354-Q356 VanDerWaalsContact O-N 3.09Å
357	T	82.9	Confident	77.9	Confident	48 Å²	48	68 Å²	68	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.8	173	70.6	0	0	0	0	110.8	Y339 L353 E354 N355	Y339-T357 HydrophobicContact CD2-CG2 4.45Å; L353-T357 CarbonylContact C-O 3.35Å; L353-T357 WeakPolarHBondContact CA-O 3.45Å; E354-T357 PolarHBondContact N-O 2.81Å; E354-T357 VanDerWaalsContact N-O 3.16Å; E354-T357 WeakPolarHBondContact O-CA 3.34Å; E354-T357 PolarHBondContact O-N 3.25Å; E354-T357 PolarHBondContact O-OG1 2.85Å; N355-T357 PolarHBondContact O-N 3.24Å
358	I	88.2	Confident	75.9	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.015	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127	178	-59.6	163.2	0	0	0	109.9	Y331 F336 C338 Y339 L345 Y351 I352 L353	Y331-I358 HydrophobicContact CD1-CD1 3.98Å; Y331-I358 HydrophobicContact CD2-CD1 4.08Å; Y331-I358 HydrophobicContact CE1-CD1 3.52Å; Y331-I358 HydrophobicContact CE1-CG1 4.38Å; Y331-I358 HydrophobicContact CE2-CD1 3.64Å; Y331-I358 HydrophobicContact CE2-CG1 4.48Å; Y331-I358 HydrophobicContact CG-CD1 4.24Å; F336-I358 HydrophobicContact CD2-CD1 3.54Å; F336-I358 HydrophobicContact CE2-CD1 3.48Å; F336-I358 VanDerWaalsContact CE2-CD1 3.48Å; C338-I358 CarbonylContact C-O 3.57Å; C338-I358 WeakPolarHBondContact CA-O 3.45Å; Y339-I358 WeakPolarHBondContact CB-O 3.3Å; Y339-I358 PolarHBondContact N-O 3.09Å; L345-I358 HydrophobicContact CD1-CG2 3.38Å; Y351-I358 HydrophobicContact CD2-CG2 3.86Å; Y351-I358 HydrophobicContact CG-CG2 4.09Å; I352-I358 WeakPolarHBondContact O-CA 3.45Å; L353-I358 HydrophobicContact CD1-CG1 3.76Å
359	Q	89.7	Confident	73.7	Confident	27 Å²	27	70.1 Å²	70.1	13%	0.126	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.1	171	-67.7	174.9	-26.5	0	0	109.9	Y351 I352	Y351-Q359 CarbonylContact C-O 3.57Å; Y351-Q359 WeakPolarHBondContact CA-O 3.27Å; Y351-Q359 VanDerWaalsContact CB-O 3.26Å; Y351-Q359 WeakPolarHBondContact CB-O 3.44Å; I352-Q359 PolarHBondContact N-O 2.77Å; I352-Q359 PolarHBondContact O-N 2.87Å
360	C	91.7	Very high	71.1	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	157.4	171.1	62.1	0	0	0	0	110.6	C338 L345 S362 H363	C338-C360 HydrophobicContact CB-CB 4.02Å; C338-C360 PolarHBondContact SG-N 3.33Å; C338-C360 VanDerWaalsContact SG-N 3.39Å; L345-C360 HydrophobicContact CD2-CB 3.81Å; C360-S362 PolarHBondContact O-N 2.88Å; C360-S362 PolarHBondContact SG-OG 3.2Å; C360-H363 PolarHBondContact O-N 3.49Å; C360-H363 PolarHBondContact SG-ND1 3.13Å
361	S	86.1	Confident	68.5	Low	58 Å²	58	75.8 Å²	75.8	41%	0.406	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-53.9	-25.4	-176.6	45.3	0	0	0	0	116.2	T350 H363 T364	T350-S361 PolarHBondContact O-N 2.91Å; T350-S361 PolarHBondContact O-OG 3.22Å; T350-S361 VanDerWaalsContact OG1-CB 3.23Å; T350-S361 WeakPolarHBondContact OG1-CB 3.45Å; T350-S361 PolarHBondContact OG1-OG 3.41Å; S361-H363 PolarHBondContact O-N 3.35Å; S361-T364 WeakPolarHBondContact CA-OG1 3.47Å; S361-T364 WeakPolarHBondContact O-CB 3.23Å; S361-T364 PolarHBondContact O-N 2.95Å; S361-T364 PolarHBondContact O-OG1 3.29Å
362	S	83.8	Confident	65.8	Low	78 Å²	78	81.2 Å²	81.2	55%	0.545	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-71.4	-10.6	172.6	69	0	0	0	0	114.8	C360	C360-S362 PolarHBondContact O-N 2.88Å; C360-S362 PolarHBondContact SG-OG 3.2Å
363	H	85.5	Confident	63.1	Low	58 Å²	58	86.8 Å²	86.8	27%	0.269	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-120.6	15.1	179.1	-57.7	116.5	0	0	0	112.4	T340 C341 C360 S361 T365	T340-H363 HydrophobicContact CG2-CB 4.32Å; C341-H363 VanDerWaalsContact CB-CE1 3.46Å; C341-H363 WeakPolarHBondContact CB-CE1 3.16Å; C341-H363 PolarHBondContact SG-CE1 3.34Å; C360-H363 PolarHBondContact O-N 3.49Å; C360-H363 PolarHBondContact SG-ND1 3.13Å; S361-H363 PolarHBondContact O-N 3.35Å; H363-T365 PolarHBondContact O-N 3.2Å
364	T	67.9	Low	60.4	Low	53 Å²	53	90.7 Å²	90.7	33%	0.325	53%	0.525	S	S	.	.			trans	-60.5	-25.1	170	-66.5	0	0	0	0	113	I352 S361	I352-T364 HydrophobicContact CD1-CG2 3.45Å; I352-T364 VanDerWaalsContact CD1-CG2 3.45Å; I352-T364 VanDerWaalsContact CD1-OG1 3.28Å; I352-T364 WeakPolarHBondContact CD1-OG1 3.31Å; S361-T364 WeakPolarHBondContact CA-OG1 3.47Å; S361-T364 WeakPolarHBondContact O-CB 3.23Å; S361-T364 PolarHBondContact O-N 2.95Å; S361-T364 PolarHBondContact O-OG1 3.29Å
365	T	53.3	Low	58.1	Low	108 Å²	108	93.9 Å²	93.9	66%	0.663	55%	0.548	S	S	*	.	S	Bend	trans	-81.4	136.5	-178.4	43.8	0	0	0	0	112.1	H363	H363-T365 PolarHBondContact O-N 3.2Å
366	T	52	Low	56.2	Low	138 Å²	138	92.7 Å²	92.7	85%	0.847	54%	0.542	S	S	*	.	S	Bend	trans	96.3	30.8	169.9	-24	0	0	0	0	118.2
367	T	40.9	Very low	54.3	Low	85 Å²	85	92.7 Å²	92.7	52%	0.521	55%	0.546	S	S	.	.			trans	-124.9	-3.6	159.2	-5.6	0	0	0	0	116.2	E354	E354-T367 WeakPolarHBondContact OE2-CB 3.47Å; E354-T367 PolarHBondContact OE2-OG1 3.19Å
368	T	37.6	Very low	51.9	Low	111 Å²	111	95.9 Å²	95.9	68%	0.681	56%	0.561	S	S	*	*	S	Bend	trans	-96.1	105.6	-176.6	0.6	0	0	0	0	113.3
369	T	33.8	Very low	49.3	Very low	101 Å²	101	103.5 Å²	103.5	62%	0.62	60%	0.597	S	S	*	*			trans	64.1	71.5	144.9	-41.8	0	0	0	0	118.2	T371	T369-T371 WeakPolarHBondContact CG2-OG1 3.44Å; T369-T371 PolarHBondContact O-N 3.22Å
370	T	32.4	Very low	46.5	Very low	144 Å²	144	107.2 Å²	107.2	88%	0.883	63%	0.626	S	S	*	*			trans	-77.9	56.4	158.1	-40.2	0	0	0	0	111.7
371	T	31.5	Very low	43.4	Very low	108 Å²	108	116.6 Å²	116.6	66%	0.663	67%	0.667	S	S	*	*			trans	-125.3	62.1	166.9	59.8	0	0	0	0	110	T369	T369-T371 WeakPolarHBondContact CG2-OG1 3.44Å; T369-T371 PolarHBondContact O-N 3.22Å
372	N	30.6	Very low	40.8	Very low	146 Å²	146	121.2 Å²	121.2	78%	0.781	68%	0.684	S	S	*	*	S	Bend	trans	-168.4	159.3	160	-97.1	-30.4	0	0	0	109.5
373	L	29.5	Very low	38.2	Very low	171 Å²	171	124 Å²	124	90%	0.895	69%	0.692	S	S	*	*			trans	72.9	74.3	164	-61.1	156.3	0	0	0	118.8
374	T	29.8	Very low	35.6	Very low	131 Å²	131	127.2 Å²	127.2	80%	0.804	71%	0.711	S	S	*	*			trans	-134.5	129.8	133.1	54.3	0	0	0	0	106.2
375	T	30.5	Very low	33.8	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	73%	0.728	S	S	*	*			cis	-158.2	175.2	0.3	13.6	0	0	0	0	106
376	N	31.4	Very low	32.7	Very low	128 Å²	128	132.7 Å²	132.7	68%	0.684	73%	0.731	S	S	*	*			cis	-153.2	-166.1	22.4	-155.6	40	0	0	0	111.7
377	N	31.8	Very low	31.8	Very low	123 Å²	123	131 Å²	131	66%	0.658	72%	0.724	S	S	*	*			trans	-62.7	175.7	164.2	-42.8	-21.5	0	0	0	112.1
378	D	31.9	Very low	31.3	Very low	116 Å²	116	133.2 Å²	133.2	62%	0.62	73%	0.733	S	S	*	*			cis	-154.9	153.9	28.1	-113.9	-56.2	0	0	0	115.1
379	Q	33.6	Very low	31	Very low	162 Å²	162	133.7 Å²	133.7	76%	0.757	73%	0.732	S	S	*	*			trans	38.5	137.3	147.8	-71.6	167.4	65.8	0	0	125.4
380	S	30.4	Very low	30.9	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	73%	0.734	S	S	*	*			trans	102.8	130.3	136.9	76.1	0	0	0	0	121.7
381	F	28.1	Very low	30.7	Very low	196 Å²	196	133.6 Å²	133.6	86%	0.86	73%	0.726	S	S	*	*			trans	26.1	146.3	143.6	-70.9	-100	0	0	0	121
382	M	30.1	Very low	30.6	Very low	155 Å²	155	137 Å²	137	76%	0.764	73%	0.734	S	S	*	*			cis	166.4	164.2	-13.6	-117.7	-76.3	-179.3	0	0	107.6
383	I	30.2	Very low	30.6	Very low	138 Å²	138	134.7 Å²	134.7	71%	0.708	73%	0.729	S	S	*	*			trans	82.9	103	155.5	-68.7	160.4	0	0	0	120.7
384	N	29.9	Very low	30.5	Very low	125 Å²	125	136.5 Å²	136.5	67%	0.668	73%	0.726	S	S	*	*				67.3	110.4	129.5	-65.8	-19.7	0	0	0	125.8
385	K	31.2	Very low	30.5	Very low	157 Å²	157	138.3 Å²	138.3	68%	0.683	73%	0.728	S	S	*	*				87.4	124.9	111.3	-76	-169.7	174.5	-175.7	0	123.8
386	T	30	Very low	30.3	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	72%	0.724	S	S	*	*				92.6	146	128.2	47.9	0	0	0	0	123.7
387	S	31.7	Very low	30.2	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	73%	0.729	S	S	*	*			trans	78.3	94.6	158.1	27.3	0	0	0	0	120.9
388	N	31	Very low	30.1	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	73%	0.726	S	S	*	*				80	144.2	114.1	-89.5	48	0	0	0	124.5
389	D	31.4	Very low	29.8	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	73%	0.731	S	S	*	*			trans	76.2	86.6	143	-58.2	-27.9	0	0	0	123.4
390	T	31.8	Very low	29.6	Very low	110 Å²	110	140.6 Å²	140.6	68%	0.675	74%	0.738	S	S	*	*				79.9	147.6	123.3	66.4	0	0	0	0	122.3
391	N	28.3	Very low	29.5	Very low	132 Å²	132	144.6 Å²	144.6	71%	0.706	74%	0.744	S	S	*	*			trans	84.3	136.1	153.6	-56.7	-42.1	0	0	0	120.2
392	H	30	Very low	29.6	Very low	179 Å²	179	140.4 Å²	140.4	83%	0.829	74%	0.739	S	S	*	*			trans	61.1	147	165.5	-63.4	-73.1	0	0	0	118.8
393	S	29.5	Very low	29.5	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	74%	0.742	S	S	*	*			cis	-166	167.1	-27.7	47.2	0	0	0	0	109.8
394	Y	26.7	Very low	29.6	Very low	210 Å²	210	141.8 Å²	141.8	82%	0.824	75%	0.75	S	S	*	*			trans	-21	136.6	161.3	-83.2	-103.9	0	0	0	116.7
395	I	30.1	Very low	29.4	Very low	168 Å²	168	142.4 Å²	142.4	86%	0.862	75%	0.753	S	S	*	*				-147.8	145	116.4	-101	151.8	0	0	0	108.9
396	H	27.5	Very low	29.3	Very low	146 Å²	146	143 Å²	143	68%	0.676	76%	0.763	S	S	*	*			trans	-122.1	128.1	-169.2	160.3	-83.5	0	0	0	109.3
397	S	29.8	Very low	29.5	Very low	115 Å²	115	145.5 Å²	145.5	80%	0.804	77%	0.767	S	S	*	*			trans	-139.5	93.4	-179.2	-71.8	0	0	0	0	111.7
398	T	28.7	Very low	29.5	Very low	96 Å²	96	148.9 Å²	148.9	59%	0.589	77%	0.769	S	S	*	*			trans	-42.1	132.7	178.5	37.6	0	0	0	0	117.9
399	I	26.3	Very low	29.4	Very low	141 Å²	141	148 Å²	148	72%	0.723	77%	0.77	S	S	*	*				48.2	118.8	122.3	-53.6	170.9	0	0	0	118.2
400	K	29.4	Very low	29.5	Very low	207 Å²	207	147.8 Å²	147.8	90%	0.9	77%	0.769	S	S	*	*			trans	-149.6	90.3	130.8	-113.5	171.8	-174.1	176.8	0	111.1
401	Q	28.3	Very low	29.4	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.883	77%	0.774	S	S	*	*			trans	-73.9	142.8	164.7	-71.1	175.6	-21.3	0	0	109.3
402	S	30.3	Very low	29.5	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	78%	0.776	S	S	*	*			trans	-139.5	102.3	173.7	50.7	0	0	0	0	111.9
403	N	27.2	Very low	29.5	Very low	151 Å²	151	146 Å²	146	81%	0.807	76%	0.759	S	S	*	*			trans	19.3	99.9	159.7	-63.3	-13.2	0	0	0	119
404	I	31.5	Very low	29.5	Very low	171 Å²	171	151.5 Å²	151.5	88%	0.877	77%	0.772	S	S	*	*			trans	-103.7	90.7	147	-58	176.2	0	0	0	106.9
405	N	27.4	Very low	29.6	Very low	138 Å²	138	149.7 Å²	149.7	74%	0.738	78%	0.775	S	S	*	*			trans	-143.6	96.4	177.3	-97.5	-22.6	0	0	0	109.1
406	N	29	Very low	29.4	Very low	169 Å²	169	149.5 Å²	149.5	90%	0.904	77%	0.771	S	S	*	*			trans	-171.5	53.2	164.7	-105.5	-29.5	0	0	0	113.4
407	Q	33.9	Very low	29.5	Very low	173 Å²	173	147.9 Å²	147.9	81%	0.808	78%	0.776	S	S	*	*	S	Bend	trans	-151.6	151.4	162.5	-104.8	166.2	18.7	0	0	108.5
408	F	31.6	Very low	29.5	Very low	173 Å²	173	148.3 Å²	148.3	76%	0.759	78%	0.776	S	S	*	*			trans	62.6	78.3	-178.5	-50.9	-77	0	0	0	118.1
409	P	28.4	Very low	29.4	Very low	112 Å²	112	151.7 Å²	151.7	73%	0.727	79%	0.79	S	S	*	*			trans	-68.8	154	142.7	32.9	-32.2	0	0	0	110.5
410	N	33.7	Very low	29.3	Very low	117 Å²	117	150.4 Å²	150.4	63%	0.626	79%	0.794	S	S	*	*	S	Bend	trans	88.6	26.9	173.6	-52.3	0.8	0	0	0	118.9
411	L	30.8	Very low	29.2	Very low	148 Å²	148	147.5 Å²	147.5	78%	0.775	79%	0.786	S	S	*	*	S	Bend	trans	-114.2	0.7	164.1	-102.3	171	0	0	0	115.3
412	I	28.4	Very low	29	Very low	146 Å²	146	145.4 Å²	145.4	75%	0.749	78%	0.782	S	S	*	*	S	Bend	trans	-126.2	117.4	170.4	-58.2	-66.1	0	0	0	107.6
413	N	30.5	Very low	28.8	Very low	89 Å²	89	149.6 Å²	149.6	48%	0.476	79%	0.786	S	S	.	*			trans	172.5	-10.2	154.3	-96.6	-2.7	0	0	0	114.1	L415 Q416	N413-L415 PolarHBondContact O-N 2.69Å; N413-Q416 PolarHBondContact O-N 2.94Å
414	F	29.8	Very low	28.6	Very low	215 Å²	215	149.3 Å²	149.3	94%	0.943	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	18.2	-178.9	-140.8	-91	0	0	0	115
415	L	28.6	Very low	28.3	Very low	171 Å²	171	150 Å²	150	90%	0.895	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.4	10.8	-177.2	-72.7	175.7	0	0	0	113.7	N413	N413-L415 PolarHBondContact O-N 2.69Å
416	Q	26.1	Very low	28.3	Very low	165 Å²	165	152 Å²	152	77%	0.771	79%	0.789	S	S	*	*			trans	-135.2	83	-179	-70.4	-170.5	-15.9	0	0	113.4	N413	N413-Q416 PolarHBondContact O-N 2.94Å
417	S	30.4	Very low	28.2	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	78%	0.778	S	S	*	*			trans	-138	118.7	156.7	58.5	0	0	0	0	108.7	N419	S417-N419 PolarHBondContact O-N 3.5Å
418	P	28.8	Very low	27.8	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	77%	0.774	S	S	*	*			trans	-87.4	104.2	-165.7	32.6	-34.5	0	0	0	113.1
419	N	26.4	Very low	27.8	Very low	166 Å²	166	146.2 Å²	146.2	89%	0.888	77%	0.772	S	S	*	*			trans	-101.7	105.1	153.8	-86.7	-15.7	0	0	0	108.2	S417	S417-N419 PolarHBondContact O-N 3.5Å
420	S	25.4	Very low	27.6	Very low	114 Å²	114	150.2 Å²	150.2	80%	0.797	78%	0.778	S	S	*	*			trans	-76.4	121.9	-170.8	52.7	0	0	0	0	113.1
421	I	26.9	Very low	27.4	Very low	146 Å²	146	151.5 Å²	151.5	75%	0.749	78%	0.78	S	S	*	*			trans	-127	115	155.4	-59.1	-178.7	0	0	0	107.4	F423	I421-F423 HydrophobicContact CG2-CD2 3.88Å; I421-F423 HydrophobicContact CG2-CE2 3.89Å
422	N	24.1	Very low	27.3	Very low	146 Å²	146	151 Å²	151	78%	0.781	77%	0.774	S	S	*	*			trans	-77.6	125.1	175.7	-99.5	-28.6	0	0	0	110.2
423	F	26.5	Very low	27.3	Very low	195 Å²	195	150 Å²	150	86%	0.855	77%	0.77	S	S	*	*			trans	-142.4	73	156.5	-83.4	-70	0	0	0	109.6	I421	I421-F423 HydrophobicContact CG2-CD2 3.88Å; I421-F423 HydrophobicContact CG2-CE2 3.89Å
424	N	22.8	Very low	27.2	Very low	146 Å²	146	152.4 Å²	152.4	78%	0.781	78%	0.782	S	S	*	*			trans	-87.4	158	157	-91.6	-18.7	0	0	0	109
425	E	25.6	Very low	27.2	Very low	184 Å²	184	149.4 Å²	149.4	86%	0.86	77%	0.769	S	S	*	*			trans	61.5	79.9	173.2	-56.2	-169.9	149.5	0	0	115.7
426	E	27.5	Very low	27.3	Very low	181 Å²	181	149.7 Å²	149.7	85%	0.846	76%	0.763	S	S	*	*				-159.5	106.5	108	-106	178.2	-171.5	0	0	113.4
427	N	25.4	Very low	27.5	Very low	123 Å²	123	149.3 Å²	149.3	66%	0.658	76%	0.764	S	S	*	*				46	119.2	120.1	-71.8	-54.6	0	0	0	121
428	N	26.5	Very low	27.3	Very low	137 Å²	137	149.5 Å²	149.5	73%	0.733	76%	0.761	S	S	*	*			trans	61.8	77.6	137.5	-53.6	-36.3	0	0	0	118.8
429	N	31.2	Very low	27.3	Very low	133 Å²	133	153 Å²	153	71%	0.711	76%	0.763	S	S	*	*			trans	-161.3	32.2	139	-108.7	-33	0	0	0	117.5	H431	N429-H431 PolarHBondContact O-N 2.81Å
430	F	25.2	Very low	27.4	Very low	197 Å²	197	153.2 Å²	153.2	86%	0.864	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	21.8	178.6	-151.3	-98.5	0	0	0	114.7
431	H	27.8	Very low	27.4	Very low	144 Å²	144	157.1 Å²	157.1	67%	0.667	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	12.3	-169.4	-155.2	-77.9	0	0	0	115.7	N429	N429-H431 PolarHBondContact O-N 2.81Å
432	E	29.7	Very low	27.4	Very low	138 Å²	138	155.7 Å²	155.7	65%	0.645	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-43.6	173.6	-73.7	-129.5	107	0	0	114.8	L434 K435	E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 2.96Å; E432-K435 PolarHBondContact O-N 3.14Å
433	N	28.4	Very low	27.5	Very low	124 Å²	124	153.7 Å²	153.7	66%	0.663	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-74	-18	-171.2	-77.8	-43.4	0	0	0	115.3	K435	N433-K435 PolarHBondContact O-N 3.03Å
434	L	28.4	Very low	27.6	Very low	139 Å²	139	153.3 Å²	153.3	73%	0.728	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-75	2.5	171.3	-80.7	167.1	0	0	0	114.2	E432	E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 2.96Å
435	K	29.2	Very low	27.6	Very low	153 Å²	153	151.1 Å²	151.1	67%	0.665	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-97.7	1.9	173.9	-79.4	-179.7	176.2	173.1	0	115.2	E432 N433	E432-K435 PolarHBondContact O-N 3.14Å; N433-K435 PolarHBondContact O-N 3.03Å
436	K	31.1	Very low	27.6	Very low	177 Å²	177	150.5 Å²	150.5	77%	0.77	77%	0.766	S	S	*	*	S	Bend	trans	-98.1	-6.2	-180	-81.7	-179.7	176.6	170.9	0	115.8
437	I	30.5	Very low	27.5	Very low	156 Å²	156	147.2 Å²	147.2	80%	0.8	76%	0.759	S	S	*	*	S	Bend	trans	-123.4	41.4	-176.5	-38.7	-177.1	0	0	0	111.3
438	T	26.4	Very low	27.6	Very low	116 Å²	116	146.8 Å²	146.8	71%	0.712	76%	0.763	S	S	*	*	S	Bend	trans	-153.1	45.3	176.3	-25.9	0	0	0	0	113.6
439	K	28.1	Very low	27.8	Very low	198 Å²	198	145.9 Å²	145.9	86%	0.861	76%	0.764	S	S	*	*			trans	-157	94.1	169.8	-109.8	173.8	-175.9	-178.1	0	111
440	N	29	Very low	27.4	Very low	170 Å²	170	144.9 Å²	144.9	91%	0.909	77%	0.768	S	S	*	*			trans	171.3	69.2	146.3	-88	-6.3	0	0	0	109.8
441	F	25.3	Very low	27.7	Very low	196 Å²	196	146.4 Å²	146.4	86%	0.86	77%	0.769	S	S	*	*			trans	-74	117.5	153.6	-97.4	-89.6	0	0	0	107.4	I701	F441-I701 HydrophobicContact CD2-CD1 4.38Å; F441-I701 HydrophobicContact CE2-CD1 4.22Å
442	S	27.2	Very low	27.5	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	77%	0.77	S	S	*	*			trans	-156.3	139.4	155.8	-108.6	0	0	0	0	109.9
443	S	25.9	Very low	27.4	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	78%	0.777	S	S	*	*			trans	-53	135.5	179.6	49.7	0	0	0	0	114
444	H	28.4	Very low	27.5	Very low	186 Å²	186	148.8 Å²	148.8	86%	0.861	77%	0.774	S	S	*	*				-155.1	143.3	126.1	-103	-70.3	0	0	0	111
445	S	23.3	Very low	27.4	Very low	100 Å²	100	149.8 Å²	149.8	70%	0.699	77%	0.774	S	S	*	*			trans	-66.4	144	165.8	51.9	0	0	0	0	111.4
446	L	25	Very low	27.5	Very low	171 Å²	171	149.7 Å²	149.7	90%	0.895	78%	0.777	S	S	*	*			trans	-167	167.4	146.7	-106.4	158.7	0	0	0	112
447	T	25.6	Very low	27.3	Very low	113 Å²	113	147.4 Å²	147.4	69%	0.693	77%	0.773	S	S	*	*			trans	-77.5	164.5	-166.9	42.3	0	0	0	0	115
448	P	28.1	Very low	27.3	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	76%	0.764	S	S	*	*			trans	-61.8	153.6	168.4	28.5	-36.6	0	0	0	111.9	S450	P448-S450 PolarHBondContact O-N 2.89Å
449	P	29.3	Very low	27.5	Very low	118 Å²	118	147.2 Å²	147.2	77%	0.766	77%	0.768	S	S	*	*			trans	-78.9	113.1	-173	30.6	-34.5	0	0	0	112.7
450	S	24.6	Very low	27.4	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-82.7	124.8	157	52.7	0	0	0	0	109.6	P448	P448-S450 PolarHBondContact O-N 2.89Å
451	Y	29.5	Very low	27.4	Very low	229 Å²	229	140.9 Å²	140.9	90%	0.898	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-96.1	120.9	163.6	-96.3	-86.5	0	0	0	109.7
452	D	24.4	Very low	27.7	Very low	128 Å²	128	139.2 Å²	139.2	68%	0.684	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-97.5	149.6	-177.3	-168	-18.1	0	0	0	109.4	Q454	D452-Q454 PolarHBondContact OD1-N 3.3Å
453	Y	28.3	Very low	27.8	Very low	204 Å²	204	142.9 Å²	142.9	80%	0.8	74%	0.744	S	S	*	*			trans	-157.4	79.9	147	-119.8	-72.4	0	0	0	112.8
454	Q	29.4	Very low	28.1	Very low	125 Å²	125	147.2 Å²	147.2	58%	0.584	75%	0.753	S	S	*	*			trans	58.1	118.5	137.6	-59.2	-174.1	-22.1	0	0	120.8	D452	D452-Q454 PolarHBondContact OD1-N 3.3Å
455	Q	27.8	Very low	28.1	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.743	74%	0.742	S	S	*	*				56	139.7	128.4	-57	-175	19.4	0	0	119.2
456	Q	30	Very low	28.4	Very low	152 Å²	152	145.4 Å²	145.4	71%	0.71	75%	0.751	S	S	*	*			cis	-160.8	152	37	-143	155.4	59.3	0	0	109.9
457	N	27.6	Very low	28.6	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	75%	0.748	S	S	*	*			trans	42	143.2	149.8	-70	43.9	0	0	0	121.4
458	D	30.2	Very low	28.9	Very low	117 Å²	117	145 Å²	145	63%	0.626	76%	0.756	S	S	*	*			cis	-162.9	156.1	10.8	-112.4	-34.9	0	0	0	111
459	L	29.9	Very low	29	Very low	151 Å²	151	147.5 Å²	147.5	79%	0.791	76%	0.763	S	S	*	*			trans	51	149.1	145.3	-59.5	168.4	0	0	0	121.6
460	S	27	Very low	29.2	Very low	79 Å²	79	148.8 Å²	148.8	55%	0.552	76%	0.763	S	S	*	*			cis	179.4	151.7	-14.4	56.1	0	0	0	0	111.6
461	I	27.9	Very low	29.5	Very low	157 Å²	157	150.3 Å²	150.3	81%	0.805	76%	0.763	S	S	*	*			trans	71	144.5	154.1	-62.6	153.8	0	0	0	113.7
462	I	32.1	Very low	29.5	Very low	160 Å²	160	145 Å²	145	82%	0.821	76%	0.759	S	S	*	*			cis	-132.2	157.5	27.2	-54.5	164.4	0	0	0	112.2
463	Y	28.7	Very low	29.9	Very low	194 Å²	194	144 Å²	144	76%	0.761	76%	0.762	S	S	*	*			trans	-79.1	161.7	172	-86.6	-116.2	0	0	0	114.4	T465	Y463-T465 HydrophobicContact CD1-CG2 3.99Å; Y463-T465 HydrophobicContact CE1-CG2 4.46Å
464	E	32.1	Very low	30.1	Very low	196 Å²	196	141.2 Å²	141.2	92%	0.916	76%	0.761	S	S	*	*				-154	143.6	117.6	-122.9	172.2	-156.8	0	0	112.5
465	T	29	Very low	30.3	Very low	103 Å²	103	141.4 Å²	141.4	63%	0.632	77%	0.766	S	S	*	*			trans	-147.3	131.4	-168.1	48.3	0	0	0	0	111.6	Y463	Y463-T465 HydrophobicContact CD1-CG2 3.99Å; Y463-T465 HydrophobicContact CE1-CG2 4.46Å
466	T	30.7	Very low	30.6	Very low	144 Å²	144	140 Å²	140	88%	0.883	76%	0.764	S	S	*	*			trans	-137.8	88.7	167.8	52.1	0	0	0	0	111.6
467	T	29.4	Very low	30.6	Very low	137 Å²	137	139 Å²	139	84%	0.84	76%	0.763	S	S	*	*			trans	-90.3	127.2	162.1	40.3	0	0	0	0	109.4	N469	T467-N469 PolarHBondContact O-N 2.85Å
468	T	30.2	Very low	30.9	Very low	140 Å²	140	138.6 Å²	138.6	86%	0.859	76%	0.761	S	S	*	*			trans	-80.9	116.5	175.4	50.4	0	0	0	0	110.5
469	N	31.5	Very low	31.1	Very low	164 Å²	164	140.4 Å²	140.4	88%	0.877	76%	0.763	S	S	*	*			trans	-138.6	136.2	168.1	-123.2	-10.7	0	0	0	109.4	T467	T467-N469 PolarHBondContact O-N 2.85Å
470	N	32.8	Very low	31.2	Very low	145 Å²	145	142 Å²	142	78%	0.775	76%	0.764	S	S	*	*			trans	-93.6	142.8	-169	-82.1	-31	0	0	0	113.4
471	N	30.3	Very low	31.4	Very low	144 Å²	144	142.1 Å²	142.1	77%	0.77	77%	0.765	S	S	*	*			trans	55.8	116.4	148.5	-59.3	-15.1	0	0	0	119.8
472	S	29.9	Very low	31.6	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	76%	0.756	S	S	*	*			trans	-157.1	136.5	133.4	-85.8	0	0	0	0	112.5
473	S	32.8	Very low	31.5	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	75%	0.752	S	S	*	*			trans	123.5	92.5	159	-55.2	0	0	0	0	114.6
474	N	32.3	Very low	31.8	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	75%	0.749	S	S	*	*				-178.3	151.3	100.5	-93	-19.5	0	0	0	114.2
475	N	33.3	Very low	31.9	Very low	130 Å²	130	133.1 Å²	133.1	70%	0.695	74%	0.741	S	S	*	*			trans	73	108.4	155.1	-62.5	-3.1	0	0	0	120.8
476	N	33.8	Very low	31.9	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	74%	0.738	S	S	*	*				93.9	101.8	128.5	-60	-1.6	0	0	0	120.8
477	N	30.6	Very low	31.8	Very low	132 Å²	132	132 Å²	132	71%	0.706	73%	0.726	S	S	*	*				86	132.9	125.8	-62.7	3.7	0	0	0	121.1
478	D	34.5	Very low	31.8	Very low	118 Å²	118	131.8 Å²	131.8	63%	0.631	72%	0.716	S	S	*	*			trans	66.6	138.2	146.5	-65.6	-40.7	0	0	0	119.2
479	K	34.7	Very low	31.8	Very low	156 Å²	156	131.3 Å²	131.3	68%	0.678	70%	0.704	S	S	*	*			cis	-172.9	142.2	-18.9	-124.4	-170.2	-166.2	97.9	0	109.4
480	F	30.9	Very low	31.7	Very low	183 Å²	183	130.9 Å²	130.9	80%	0.803	69%	0.694	S	S	*	*			trans	59.5	163.4	163.1	-74	-113.3	0	0	0	117
481	S	31.7	Very low	31.5	Very low	82 Å²	82	130.1 Å²	130.1	57%	0.573	69%	0.69	S	S	*	*			cis	-167.5	167.9	-40.6	58.8	0	0	0	0	108.8
482	S	31.8	Very low	31.6	Very low	89 Å²	89	130.3 Å²	130.3	62%	0.622	69%	0.686	S	S	*	*			trans	40.9	139.8	137.3	69.3	0	0	0	0	121.5
483	N	29.8	Very low	31.5	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	68%	0.676	S	S	*	*			cis	-175.2	-160.8	0.1	-115.2	13.7	0	0	0	107.6
484	D	36.3	Very low	31.2	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	68%	0.678	S	S	*	*			trans	82	105.3	149.5	-55.9	-33.4	0	0	0	115.7
485	E	33.5	Very low	31	Very low	162 Å²	162	131 Å²	131	76%	0.757	67%	0.673	S	S	*	*				87.4	146.5	68.3	-82.9	-130.5	124.9	0	0	111.6
486	N	29.9	Very low	30.6	Very low	105 Å²	105	132.5 Å²	132.5	56%	0.561	68%	0.678	S	S	*	*			cis	-176.2	156.2	-25.7	-144.9	-23.1	0	0	0	105.1
487	N	28.5	Very low	30.3	Very low	118 Å²	118	131.6 Å²	131.6	63%	0.631	67%	0.673	S	S	*	*			trans	63.5	156.2	159.3	-67.6	-57	0	0	0	116.3
488	Q	28.8	Very low	30.1	Very low	133 Å²	133	131.5 Å²	131.5	62%	0.621	67%	0.673	S	S	*	*			cis	-172.4	172.2	-0.9	-125.3	168.8	47.1	0	0	111.3
489	Q	29.6	Very low	29.6	Very low	131 Å²	131	132.7 Å²	132.7	61%	0.612	68%	0.677	S	S	*	*			trans	68.7	146.2	150.9	-70.2	175	73.9	0	0	117.1
490	K	29	Very low	29.1	Very low	155 Å²	155	131.2 Å²	131.2	67%	0.674	68%	0.676	S	S	*	*			cis	-155.6	166.1	-9	-128.8	163.1	-167.1	160.8	0	111.4
491	N	28.7	Very low	29	Very low	129 Å²	129	130.8 Å²	130.8	69%	0.69	68%	0.678	S	S	*	*			trans	-9.8	139.9	151.8	-46	-6.3	0	0	0	116.4
492	E	32.4	Very low	28.6	Very low	148 Å²	148	132.2 Å²	132.2	69%	0.692	68%	0.679	S	S	*	*				176.9	151	96.8	-85.6	-158.2	-179.6	0	0	108.1
493	K	29	Very low	28.2	Very low	144 Å²	144	137 Å²	137	63%	0.626	69%	0.685	S	S	*	*			cis	-166.5	174.1	-14.9	-122.4	174.9	-159.2	151	0	107.1
494	N	26.7	Very low	28.1	Very low	145 Å²	145	134.5 Å²	134.5	78%	0.775	68%	0.679	S	S	*	*			trans	9.7	143.6	138.4	-59.7	1.7	0	0	0	118.3
495	S	26.8	Very low	27.6	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	68%	0.675	S	S	*	*			cis	173.9	-165.6	2.6	176.8	0	0	0	0	105.1
496	M	26.8	Very low	27.3	Very low	161 Å²	161	133.5 Å²	133.5	79%	0.793	68%	0.677	S	S	*	*			trans	70.1	151.2	158.7	-61.7	-147.7	-165.3	0	0	117
497	N	26.5	Very low	27.2	Very low	110 Å²	110	135.3 Å²	135.3	59%	0.588	68%	0.682	S	S	*	*			cis	-175.3	143.5	-30.3	-108.2	-19.4	0	0	0	106.3
498	N	25.9	Very low	27.1	Very low	130 Å²	130	135.9 Å²	135.9	70%	0.695	68%	0.684	S	S	*	*			trans	62.2	176.1	147.5	-55.8	-20.1	0	0	0	119.2
499	I	25.2	Very low	27.1	Very low	143 Å²	143	135.4 Å²	135.4	73%	0.733	69%	0.691	S	S	*	*			trans	88.6	114	135.2	-95	160.2	0	0	0	118.6
500	I	24	Very low	27.4	Very low	125 Å²	125	134.1 Å²	134.1	64%	0.641	69%	0.693	S	S	*	*			trans	81.8	89.1	146.8	-66.9	177.7	0	0	0	117.6	N502	I500-N502 HydrophobicContact CG2-CB 4.12Å
501	M	28.5	Very low	27.2	Very low	173 Å²	173	133.4 Å²	133.4	85%	0.852	70%	0.696	S	S	*	*				-47.9	125.1	115.7	-88	-99.4	-67.3	0	0	109.8
502	N	23.5	Very low	27.1	Very low	112 Å²	112	134.5 Å²	134.5	60%	0.599	70%	0.701	S	S	*	*			trans	169.5	143.2	139.9	-88.4	-16.8	0	0	0	113.1	I500	I500-N502 HydrophobicContact CG2-CB 4.12Å
503	Y	23.7	Very low	26.8	Very low	189 Å²	189	133 Å²	133	74%	0.741	70%	0.702	S	S	*	*			trans	33	139.6	143	-62.3	-106.3	0	0	0	119.7	T505	Y503-T505 HydrophobicContact CD1-CG2 3.5Å; Y503-T505 VanDerWaalsContact CD1-CG2 3.5Å; Y503-T505 HydrophobicContact CE1-CG2 3.95Å; Y503-T505 HydrophobicContact CG-CG2 4.5Å
504	S	26.2	Very low	26.9	Very low	87 Å²	87	131.1 Å²	131.1	61%	0.608	70%	0.703	S	S	*	*			cis	-139.2	142.8	40.9	42.9	0	0	0	0	111.8
505	T	26.3	Very low	26.8	Very low	99 Å²	99	131 Å²	131	61%	0.607	70%	0.702	S	S	*	*				66.2	85.9	51.9	67.6	0	0	0	0	115.8	Y503	Y503-T505 HydrophobicContact CD1-CG2 3.5Å; Y503-T505 VanDerWaalsContact CD1-CG2 3.5Å; Y503-T505 HydrophobicContact CE1-CG2 3.95Å; Y503-T505 HydrophobicContact CG-CG2 4.5Å
506	E	27.8	Very low	26.9	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	71%	0.707	S	S	*	*			trans	-165.4	146.5	141.1	-111.8	159.4	-151.1	0	0	109.5
507	Q	28.3	Very low	27.1	Very low	143 Å²	143	132 Å²	132	67%	0.668	71%	0.711	S	S	*	*			cis	-159	151.2	-31.7	-116.3	179.1	58.3	0	0	108
508	L	26.2	Very low	27	Very low	129 Å²	129	134.5 Å²	134.5	68%	0.675	72%	0.723	S	S	*	*			trans	47.6	95.1	143.2	-62.9	175.5	0	0	0	120.4
509	T	28.9	Very low	27.2	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	73%	0.732	S	S	*	*				89.1	172.4	95.2	62.9	0	0	0	0	114.6
510	P	34	Very low	27.5	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	73%	0.728	S	S	*	*				-138.7	-150.3	-106.5	29.7	-0.7	0	0	0	113.9
511	L	25.3	Very low	27.7	Very low	141 Å²	141	140.2 Å²	140.2	74%	0.738	74%	0.741	S	S	*	*			trans	85.7	138.9	153.1	-64.5	163.7	0	0	0	120.4
512	L	26.3	Very low	27.7	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	74%	0.743	S	S	*	*			trans	59.4	153.1	145.3	-60.9	163.6	0	0	0	116.8
513	V	27.5	Very low	28	Very low	117 Å²	117	141.9 Å²	141.9	71%	0.709	75%	0.746	S	S	*	*			cis	-167.1	150.5	13.9	99.4	0	0	0	0	105.6
514	T	29.6	Very low	28.3	Very low	103 Å²	103	141 Å²	141	63%	0.632	75%	0.754	S	S	*	*			cis	-165.1	165.1	-17.5	19.1	0	0	0	0	108.9
515	N	26.2	Very low	28.3	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	76%	0.764	S	S	*	*			trans	26.5	128.3	147.8	-54.8	-30.4	0	0	0	121.3
516	S	28.8	Very low	28.4	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	77%	0.77	S	S	*	*				179	165	109.7	-79.2	0	0	0	0	112.8
517	L	30.3	Very low	28.4	Very low	168 Å²	168	145 Å²	145	88%	0.88	77%	0.768	S	S	*	*			trans	63.9	99.6	175.6	-55.3	166.3	0	0	0	114.6
518	L	25.2	Very low	28.4	Very low	161 Å²	161	143.4 Å²	143.4	84%	0.843	77%	0.768	S	S	*	*			cis	79.7	41.8	9.7	-138	155.4	0	0	0	116.8
519	L	28.4	Very low	28.5	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	77%	0.765	S	S	*	*			trans	-173.1	129.9	151.7	-125.4	65.2	0	0	0	105.4
520	E	31.3	Very low	28.5	Very low	141 Å²	141	144.6 Å²	144.6	66%	0.659	77%	0.765	S	S	*	*			cis	-124.9	66.6	10.6	-62	177.7	78.3	0	0	113	N522 K523	E520-N522 VanDerWaalsContact C-N 3.27Å; E520-N522 PolarHBondContact O-N 2.99Å; E520-K523 IonicContact OE1-NZ 3.28Å; E520-K523 PolarHBondContact OE1-NZ 3.3Å
521	K	29.6	Very low	28.3	Very low	212 Å²	212	147.7 Å²	147.7	92%	0.922	77%	0.773	S	S	*	*			trans	-73.6	78.3	171	-87.7	-168.9	173.9	-178.2	0	111.6
522	N	28.1	Very low	28.4	Very low	166 Å²	166	145.7 Å²	145.7	89%	0.888	76%	0.764	S	S	*	*			trans	-159.5	28.1	170.2	-107.6	-12.1	0	0	0	114.8	E520	E520-N522 VanDerWaalsContact C-N 3.27Å; E520-N522 PolarHBondContact O-N 2.99Å
523	K	29.6	Very low	28.6	Very low	153 Å²	153	146.1 Å²	146.1	67%	0.665	77%	0.767	S	S	*	*	S	Bend	trans	-130.7	151.2	171.4	-68.3	165.3	-176.4	155.9	0	108.7	E520	E520-K523 IonicContact OE1-NZ 3.28Å; E520-K523 PolarHBondContact OE1-NZ 3.3Å
524	L	29.4	Very low	28.6	Very low	171 Å²	171	146.4 Å²	146.4	90%	0.895	77%	0.772	S	S	*	*	S	Bend	trans	76.1	24.2	179.9	-58.2	166.8	0	0	0	118.7
525	I	27.6	Very low	28.6	Very low	163 Å²	163	149 Å²	149	84%	0.836	78%	0.777	S	S	*	*	S	Bend	trans	-125.5	62.3	155	-51.7	-177.4	0	0	0	109.7
526	N	27.4	Very low	28.8	Very low	137 Å²	137	149.4 Å²	149.4	73%	0.733	78%	0.78	S	S	*	*			trans	176.1	127.2	154.6	-95.5	-23.7	0	0	0	106.9
527	L	28.3	Very low	28.8	Very low	142 Å²	142	154.5 Å²	154.5	74%	0.743	78%	0.783	S	S	*	*			trans	-138.6	30.8	159.1	-151.7	75.8	0	0	0	111.6	H530	L527-H530 HydrophobicContact CD1-CB 4.4Å
528	T	27.6	Very low	28.7	Very low	109 Å²	109	154.7 Å²	154.7	67%	0.669	78%	0.784	S	S	*	*	S	Bend	trans	-70.3	138.1	137.6	-39	0	0	0	0	106.2
529	N	28.7	Very low	28.9	Very low	114 Å²	114	154.4 Å²	154.4	61%	0.61	78%	0.782	S	S	*	*			trans	71	106.5	-174.4	-50.7	8.9	0	0	0	114.7
530	H	30	Very low	28.9	Very low	164 Å²	164	155.6 Å²	155.6	76%	0.759	78%	0.78	S	S	*	*	S	Bend	trans	-149.1	25.8	153.1	-147.7	-60.6	0	0	0	113.8	L527	L527-H530 HydrophobicContact CD1-CB 4.4Å
531	I	28.8	Very low	29	Very low	167 Å²	167	154.2 Å²	154.2	86%	0.856	79%	0.786	S	S	*	*	S	Bend	trans	-134.7	72.1	159.9	-51.2	-179.6	0	0	0	107.4
532	D	28.6	Very low	28.9	Very low	100 Å²	100	153.3 Å²	153.3	54%	0.535	79%	0.785	S	S	.	*	S	Bend	trans	-149.5	-26.5	171.1	-100.6	-42.1	0	0	0	112.3	C534	D532-C534 PolarHBondContact O-N 3.34Å
533	D	29.2	Very low	29.1	Very low	160 Å²	160	151.6 Å²	151.6	86%	0.856	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	29.5	176.8	-78.1	-48	0	0	0	114.9
534	C	27	Very low	29.2	Very low	123 Å²	123	152.3 Å²	152.3	83%	0.831	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	14.6	170.6	-83.7	0	0	0	0	114	D532	D532-C534 PolarHBondContact O-N 3.34Å
535	Q	31.6	Very low	29.4	Very low	158 Å²	158	150.1 Å²	150.1	74%	0.738	77%	0.771	S	S	*	*	S	Bend	trans	-123.3	12.5	172.6	-70.5	-162.5	-31.2	0	0	114.9
536	N	29.8	Very low	29.6	Very low	151 Å²	151	149 Å²	149	81%	0.807	77%	0.766	S	S	*	*	S	Bend	trans	-105.6	6	170.3	-87.5	-63.5	0	0	0	114.8
537	Y	28.1	Very low	29.9	Very low	218 Å²	218	148.7 Å²	148.7	86%	0.855	76%	0.764	S	S	*	*	S	Bend	trans	-104.6	148.3	152.7	-90.5	-102.9	0	0	0	108
538	L	29.1	Very low	30.1	Very low	172 Å²	172	150 Å²	150	90%	0.901	77%	0.767	S	S	*	*	S	Bend	trans	79.3	21	-175.2	-54.6	171.4	0	0	0	118.3
539	I	28	Very low	30.4	Very low	155 Å²	155	150.5 Å²	150.5	80%	0.795	78%	0.775	S	S	*	*	S	Bend	trans	-119.7	64.4	150.1	-49.3	-176.6	0	0	0	110
540	K	30	Very low	30.5	Very low	191 Å²	191	152.9 Å²	152.9	83%	0.83	79%	0.787	S	S	*	*	S	Bend	trans	-164.9	157.3	163	-107.8	156.1	-173.1	172.1	0	109
541	S	32.4	Very low	30.5	Very low	112 Å²	112	150 Å²	150	78%	0.783	79%	0.785	S	S	*	*			trans	47.8	61.7	178.8	58.5	0	0	0	0	115.7	N543	S541-N543 PolarHBondContact O-N 3.01Å
542	H	28.6	Very low	30.4	Very low	194 Å²	194	149.5 Å²	149.5	90%	0.898	78%	0.784	S	S	*	*			trans	-83.2	81.3	145.4	-155.2	-44.9	0	0	0	107.2
543	N	31.5	Very low	30.2	Very low	129 Å²	129	150.5 Å²	150.5	69%	0.69	80%	0.797	S	S	*	*			trans	-166.2	116	174.4	-106.9	-7.7	0	0	0	108.1	S541	S541-N543 PolarHBondContact O-N 3.01Å
544	Q	32.9	Very low	30.1	Very low	168 Å²	168	148.3 Å²	148.3	79%	0.785	80%	0.795	S	S	*	*			trans	60.7	142.1	163.6	-48	177.3	-89.6	0	0	116.3
545	D	31.8	Very low	30.3	Very low	126 Å²	126	151.5 Å²	151.5	67%	0.674	80%	0.795	S	S	*	*			cis	-179.5	158.8	-20.6	-91.2	-34	0	0	0	102.3
546	D	32.3	Very low	30.2	Very low	139 Å²	139	150.9 Å²	150.9	74%	0.743	80%	0.795	S	S	*	*			trans	63.7	117.9	157.7	-66.5	-6.6	0	0	0	122.7
547	N	33	Very low	30.1	Very low	130 Å²	130	149.2 Å²	149.2	70%	0.695	79%	0.792	S	S	*	*			trans	88.8	102	133.8	-61.5	-24.6	0	0	0	123.3
548	E	32.9	Very low	29.9	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	80%	0.795	S	S	*	*				84.6	128.1	124.5	-64.4	-165.2	123.3	0	0	123
549	S	34.8	Very low	30	Very low	119 Å²	119	148.1 Å²	148.1	83%	0.832	79%	0.79	S	S	*	*			trans	74.1	151.1	149.2	78.8	0	0	0	0	119.1
550	L	30.8	Very low	30	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	78%	0.784	S	S	*	*			cis	-168.1	127.8	-27.9	176.8	83.4	0	0	0	107.8
551	S	29.9	Very low	30	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	79%	0.786	S	S	*	*			cis	-169.2	136.3	-26	51.9	0	0	0	0	107.2
552	D	26.8	Very low	29.6	Very low	155 Å²	155	145.9 Å²	145.9	83%	0.829	78%	0.783	S	S	*	*			trans	-126.1	155.9	-179.9	-148.2	-20.2	0	0	0	112.9	S554	D552-S554 PolarHBondContact O-N 3.14Å
553	C	24.1	Very low	29.6	Very low	121 Å²	121	147 Å²	147	82%	0.818	78%	0.78	S	S	*	*	S	Bend	trans	18.6	86.9	170.8	-156.5	0	0	0	0	119.8
554	S	27.6	Very low	29.5	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	78%	0.779	S	S	*	*			trans	-166.7	115.9	149.1	44	0	0	0	0	115.9	D552	D552-S554 PolarHBondContact O-N 3.14Å
555	K	30.1	Very low	29.1	Very low	190 Å²	190	147.7 Å²	147.7	83%	0.826	78%	0.779	S	S	*	*			trans	-157.2	145	164	-75.1	-172.2	179.9	172.9	0	107.1
556	I	30	Very low	29	Very low	144 Å²	144	150.4 Å²	150.4	74%	0.738	79%	0.785	S	S	*	*			cis	-171.2	151	-3.4	-112.6	167.6	0	0	0	106.3
557	P	28.7	Very low	28.9	Very low	116 Å²	116	151.5 Å²	151.5	75%	0.753	79%	0.791	S	S	*	*				-124.7	-172.6	-64.6	36	-14.3	0	0	0	112.6
558	M	23.7	Very low	28.6	Very low	184 Å²	184	153 Å²	153	91%	0.906	80%	0.798	S	S	*	*			trans	-99.6	157.1	161.1	-79.2	-165.3	75.1	0	0	112
559	K	30.5	Very low	28.4	Very low	183 Å²	183	152.1 Å²	152.1	80%	0.796	80%	0.799	S	S	*	*			trans	-152	122.9	162.4	-100.7	-173.1	178.8	179.9	0	112.8
560	N	28.1	Very low	28.2	Very low	127 Å²	127	155.9 Å²	155.9	68%	0.679	80%	0.8	S	S	*	*			trans	56.9	141.4	147.8	-53.1	7	0	0	0	118.1
561	F	28.6	Very low	28	Very low	200 Å²	200	156.1 Å²	156.1	88%	0.877	80%	0.801	S	S	*	*			cis	-137.4	170.5	36.6	-87.1	-96.3	0	0	0	114.1
562	A	25.3	Very low	28	Very low	85 Å²	85	157 Å²	157	70%	0.702	80%	0.802	S	S	*	*			trans	-118.3	-155.7	-176.6	0	0	0	0	0	112.3
563	Y	28.3	Very low	28	Very low	216 Å²	216	157.4 Å²	157.4	85%	0.847	80%	0.799	S	S	*	*			trans	82.8	131	-176.7	-67.7	-99.7	0	0	0	115.1
564	H	29.1	Very low	28.2	Very low	146 Å²	146	157.3 Å²	157.3	68%	0.676	80%	0.795	S	S	*	*			cis	-153.9	150.1	-8.2	-170.9	-72.8	0	0	0	109.8
565	E	25.5	Very low	28.2	Very low	166 Å²	166	159.5 Å²	159.5	78%	0.776	79%	0.792	S	S	*	*			trans	-76	129.6	176	-65.8	170.7	104.8	0	0	112.8
566	K	28.9	Very low	28.1	Very low	184 Å²	184	160.2 Å²	160.2	80%	0.8	80%	0.796	S	S	*	*			trans	-177.6	145.6	149.6	-99.7	152.3	-174.3	178.4	0	107.3
567	D	30.3	Very low	27.8	Very low	161 Å²	161	157 Å²	157	86%	0.861	79%	0.785	S	S	*	*			trans	98.8	2.4	-174	-60.5	-8.8	0	0	0	117.9	N569	D567-N569 PolarHBondContact O-N 2.87Å
568	L	27.3	Very low	27.8	Very low	163 Å²	163	160 Å²	160	85%	0.853	79%	0.794	S	S	*	*			trans	-70.3	81.6	153	-92	78.6	0	0	0	109.5
569	N	27.8	Very low	28	Very low	151 Å²	151	157.5 Å²	157.5	81%	0.807	78%	0.783	S	S	*	*			trans	-174.7	60.6	155.5	-97.9	-22.2	0	0	0	112.1	D567	D567-N569 PolarHBondContact O-N 2.87Å
570	K	30.5	Very low	27.9	Very low	198 Å²	198	156.5 Å²	156.5	86%	0.861	79%	0.786	S	S	*	*	S	Bend	trans	-157.3	36.3	168	-121.4	160.6	-169.7	170	0	116.1
571	L	27.6	Very low	27.9	Very low	168 Å²	168	156.2 Å²	156.2	88%	0.88	79%	0.789	S	S	*	*			trans	-137.5	79.6	170.3	-94.7	116.4	0	0	0	111
572	T	28.4	Very low	28	Very low	123 Å²	123	154 Å²	154	76%	0.755	79%	0.787	S	S	*	*			trans	-136.6	53.4	-177.7	51.5	0	0	0	0	112.9
573	H	28.2	Very low	28.2	Very low	165 Å²	165	154.8 Å²	154.8	76%	0.764	79%	0.785	S	S	*	*	S	Bend	trans	-160.9	123.1	141.9	-129.6	-85.1	0	0	0	114.8
574	T	27.8	Very low	28.3	Very low	119 Å²	119	151.9 Å²	151.9	73%	0.73	78%	0.784	S	S	*	*			trans	46.1	70.4	154.4	47.5	0	0	0	0	118.2
575	Q	27.6	Very low	28.3	Very low	161 Å²	161	154.9 Å²	154.9	75%	0.752	79%	0.791	S	S	*	*			trans	-115.9	112.6	143.8	-178.7	174.7	-4.2	0	0	107.3
576	F	27.3	Very low	28.2	Very low	205 Å²	205	155.2 Å²	155.2	90%	0.899	80%	0.796	S	S	*	*			trans	-111.1	114.1	172.6	-109.8	-80.1	0	0	0	109.3
577	C	25.2	Very low	28.2	Very low	77 Å²	77	151.5 Å²	151.5	52%	0.52	79%	0.789	S	S	.	*			trans	-84.9	153.9	173.5	-61.6	0	0	0	0	110.2
578	L	28.3	Very low	28	Very low	177 Å²	177	150.4 Å²	150.4	93%	0.927	78%	0.783	S	S	*	*			trans	-116.3	134.7	139.7	-78	175.8	0	0	0	107.9
579	I	27.1	Very low	28	Very low	133 Å²	133	153.3 Å²	153.3	68%	0.682	78%	0.784	S	S	*	*			trans	-102.9	131.7	177.3	-63.6	164.5	0	0	0	105.6	T581	I579-T581 HydrophobicContact CG2-CG2 4.23Å
580	D	29	Very low	28.1	Very low	161 Å²	161	151.9 Å²	151.9	86%	0.861	78%	0.78	S	S	*	*			trans	-136.6	88.7	164.8	-103.1	-45.9	0	0	0	109.6
581	T	28.9	Very low	27.9	Very low	122 Å²	122	150.4 Å²	150.4	75%	0.748	78%	0.78	S	S	*	*			trans	-91.8	109.3	168.7	48.7	0	0	0	0	109.1	I579	I579-T581 HydrophobicContact CG2-CG2 4.23Å
582	N	29.9	Very low	28	Very low	153 Å²	153	146.8 Å²	146.8	82%	0.818	77%	0.769	S	S	*	*			trans	-119.5	104.4	174.4	-157.6	-19.5	0	0	0	110.4
583	P	29.6	Very low	27.8	Very low	102 Å²	102	149 Å²	149	66%	0.662	78%	0.776	S	S	*	*			trans	-90.5	132.5	-176.5	33.7	-31.6	0	0	0	112
584	N	29.7	Very low	28	Very low	155 Å²	155	147.2 Å²	147.2	83%	0.829	78%	0.777	S	S	*	*			trans	-171.2	170.9	147.9	-104.8	-50.2	0	0	0	112.2
585	Y	29.3	Very low	28	Very low	209 Å²	209	150.8 Å²	150.8	82%	0.82	78%	0.783	S	S	*	*			trans	70.9	78.9	-177.9	-65.3	-78.8	0	0	0	116.9
586	I	24.8	Very low	28.1	Very low	172 Å²	172	150.1 Å²	150.1	88%	0.882	78%	0.784	S	S	*	*			trans	-124.6	99.8	151.8	-60.6	178.9	0	0	0	109
587	T	27.5	Very low	28.2	Very low	107 Å²	107	144.3 Å²	144.3	66%	0.656	77%	0.768	S	S	*	*			trans	-160.2	131.2	166.5	42.7	0	0	0	0	105.5
588	D	26.2	Very low	28.1	Very low	137 Å²	137	147.5 Å²	147.5	73%	0.733	79%	0.785	S	S	*	*			cis	-145.1	155.5	4	-67.4	-59.5	0	0	0	110
589	Y	28.3	Very low	28.2	Very low	225 Å²	225	146.3 Å²	146.3	88%	0.882	78%	0.778	S	S	*	*				-178	160.2	116	-123.3	-105.9	0	0	0	114.6
590	V	29.4	Very low	28.1	Very low	120 Å²	120	146.6 Å²	146.6	73%	0.727	78%	0.781	S	S	*	*			trans	66.7	93.7	172.5	-167.5	0	0	0	0	117.2
591	I	26.3	Very low	28.1	Very low	167 Å²	167	149.9 Å²	149.9	86%	0.856	78%	0.783	S	S	*	*			trans	-64.4	127.5	153.3	-62.9	157.9	0	0	0	109.5
592	S	28.5	Very low	27.9	Very low	92 Å²	92	150.7 Å²	150.7	64%	0.643	78%	0.783	S	S	*	*			trans	171	107.9	134.3	38.6	0	0	0	0	112.7
593	N	25.5	Very low	27.9	Very low	170 Å²	170	151.8 Å²	151.8	91%	0.909	78%	0.783	S	S	*	*			trans	-161.8	94.7	155.4	-112.7	-24.8	0	0	0	109.6
594	T	31.5	Very low	27.8	Very low	128 Å²	128	151.9 Å²	151.9	79%	0.785	79%	0.786	S	S	*	*			trans	-112.2	109.6	-178.8	41	0	0	0	0	110.9
595	K	28.3	Very low	27.8	Very low	194 Å²	194	151.7 Å²	151.7	84%	0.843	78%	0.782	S	S	*	*			trans	71.2	159.7	169.9	-51.2	172.5	-178.3	176.7	0	113.1
596	L	29	Very low	27.7	Very low	147 Å²	147	149.7 Å²	149.7	77%	0.77	78%	0.78	S	S	*	*			cis	-147.8	151.9	13.7	-164.8	71.3	0	0	0	111.9
597	S	30	Very low	27.9	Very low	83 Å²	83	148 Å²	148	58%	0.58	77%	0.772	S	S	*	*			trans	40.6	114.5	153.7	60	0	0	0	0	121.4
598	T	23.3	Very low	27.8	Very low	143 Å²	143	151.9 Å²	151.9	88%	0.877	78%	0.779	S	S	*	*			trans	-69.9	137	144.7	15.7	0	0	0	0	111.1
599	I	31.2	Very low	28	Very low	152 Å²	152	153.5 Å²	153.5	78%	0.779	78%	0.783	S	S	*	*			trans	-138	132.9	160.3	-64	-176.3	0	0	0	107.5
600	N	24.3	Very low	28.1	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	78%	0.775	S	S	*	*			trans	-73.8	154.9	174.6	-70.4	-24.3	0	0	0	111.2
601	Y	29.2	Very low	27.9	Very low	231 Å²	231	149.2 Å²	149.2	91%	0.906	77%	0.774	S	S	*	*				-165.5	161.6	113.7	-107.9	-74.2	0	0	0	110.9
602	N	24.6	Very low	28.1	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	77%	0.772	S	S	*	*			trans	-94.9	-171.8	-177.5	-70.5	-27.4	0	0	0	111.8
603	E	30.2	Very low	28.3	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.822	78%	0.775	S	S	*	*			trans	75.2	120.2	162.9	-64.4	157.2	-160.7	0	0	115
604	S	26.5	Very low	28.5	Very low	104 Å²	104	149 Å²	149	73%	0.727	77%	0.766	S	S	*	*			cis	90.9	84.3	29.8	83.1	0	0	0	0	115.8
605	M	30.9	Very low	28.3	Very low	150 Å²	150	148.6 Å²	148.6	74%	0.739	76%	0.759	S	S	*	*			trans	-157.5	145.4	135	-77	-160.9	70	0	0	105.3	I607	M605-I607 HydrophobicContact CE-CD1 4.23Å
606	E	26.2	Very low	28.4	Very low	167 Å²	167	144.9 Å²	144.9	78%	0.78	75%	0.753	S	S	*	*				56.5	119.1	62.3	-125.4	173.5	-140.1	0	0	110.2
607	I	29.7	Very low	28.4	Very low	137 Å²	137	148.2 Å²	148.2	70%	0.703	76%	0.755	S	S	*	*				-158.2	162.3	57	-86	163.1	0	0	0	109.2	M605	M605-I607 HydrophobicContact CE-CD1 4.23Å
608	K	25.3	Very low	28.6	Very low	188 Å²	188	151 Å²	151	82%	0.817	76%	0.762	S	S	*	*			trans	-88.3	144	162.8	-44.4	160.8	-175	160.3	0	108.4
609	E	29	Very low	28.9	Very low	171 Å²	171	150.3 Å²	150.3	80%	0.799	75%	0.753	S	S	*	*				-178.6	158.6	122.8	-107.4	177.1	174.4	0	0	116.7
610	I	30.7	Very low	29	Very low	140 Å²	140	151.5 Å²	151.5	72%	0.718	76%	0.76	S	S	*	*			trans	69.2	153.1	147.7	-70.1	162.7	0	0	0	119.4
611	T	25.1	Very low	29.4	Very low	115 Å²	115	152.2 Å²	152.2	71%	0.706	76%	0.763	S	S	*	*			trans	-115.3	144	-170.4	50.2	0	0	0	0	111.2
612	E	31.7	Very low	29.7	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.822	76%	0.755	S	S	*	*			trans	-163.2	110.9	147.1	-104.2	145.2	-149.1	0	0	105.9
613	T	31.6	Very low	30.2	Very low	114 Å²	114	144.8 Å²	144.8	70%	0.699	75%	0.753	S	S	*	*				53.2	120.9	82.4	60.6	0	0	0	0	115.4
614	D	29.6	Very low	30.4	Very low	134 Å²	134	142.9 Å²	142.9	72%	0.717	75%	0.747	S	S	*	*			trans	76.7	122	138.5	-79.2	34.2	0	0	0	122.2
615	N	27.8	Very low	30.6	Very low	121 Å²	121	145.8 Å²	145.8	65%	0.647	75%	0.749	S	S	*	*				79.1	96.8	129.9	-65.6	-32.2	0	0	0	121.5
616	T	30.5	Very low	30.7	Very low	116 Å²	116	144.4 Å²	144.4	71%	0.712	75%	0.749	S	S	*	*				91.1	140.5	120.1	66.6	0	0	0	0	121.3
617	R	29.1	Very low	30.8	Very low	217 Å²	217	142.3 Å²	142.3	82%	0.819	75%	0.748	S	S	*	*			trans	90.7	142.1	130.1	-102	171.8	165.4	163.8	-5.7	119.8
618	I	33.2	Very low	30.9	Very low	141 Å²	141	141.7 Å²	141.7	72%	0.723	75%	0.75	S	S	*	*			trans	73.7	134.5	155.9	-61.1	156.1	0	0	0	115.1
619	N	30.9	Very low	31.1	Very low	129 Å²	129	140.8 Å²	140.8	69%	0.69	75%	0.749	S	S	*	*			cis	-170	142.8	-31.4	-99.8	-14.2	0	0	0	106.3
620	L	33.8	Very low	31	Very low	177 Å²	177	137 Å²	137	93%	0.927	74%	0.741	S	S	*	*			trans	178.9	128.4	133.4	-96.1	155	0	0	0	109.9
621	L	32.7	Very low	31.1	Very low	153 Å²	153	139.5 Å²	139.5	80%	0.801	75%	0.747	S	S	*	*			trans	-98.2	-177.9	-172.4	-106.3	72.4	0	0	0	111.6
622	P	34.6	Very low	31.2	Very low	113 Å²	113	140.4 Å²	140.4	73%	0.734	75%	0.748	S	S	*	*			cis	-114.4	-155.7	0.2	41.2	-25.2	0	0	0	111.2
623	S	35.7	Very low	31.2	Very low	101 Å²	101	137.9 Å²	137.9	71%	0.706	75%	0.745	S	S	*	*			cis	-169.8	160.2	0.4	23.4	0	0	0	0	106.1
624	I	33.9	Very low	31.1	Very low	137 Å²	137	142 Å²	142	70%	0.703	75%	0.753	S	S	*	*			cis	-154.8	136.2	-6.6	-121.2	171.9	0	0	0	105.6
625	E	31.7	Very low	31.2	Very low	165 Å²	165	141.2 Å²	141.2	77%	0.771	76%	0.758	S	S	*	*				51.5	133	98.5	-53.3	-177.1	164.2	0	0	115.2
626	T	32.5	Very low	31.2	Very low	121 Å²	121	142.6 Å²	142.6	74%	0.742	77%	0.765	S	S	*	*			cis	-144.9	145	16.6	15.1	0	0	0	0	110
627	V	28.2	Very low	31.2	Very low	123 Å²	123	144.4 Å²	144.4	75%	0.745	77%	0.769	S	S	*	*				55.1	127	86.4	-169.7	0	0	0	0	112.5
628	T	31	Very low	31	Very low	123 Å²	123	140.8 Å²	140.8	76%	0.755	77%	0.765	S	S	*	*			cis	-155.5	145	40.9	-22.5	0	0	0	0	107.8
629	Q	29.4	Very low	31	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.794	77%	0.769	S	S	*	*			cis	88.5	106.6	42.1	-134.6	-177.5	37.4	0	0	116.9
630	S	27.3	Very low	30.8	Very low	91 Å²	91	141.9 Å²	141.9	64%	0.636	77%	0.77	S	S	*	*			trans	54.9	125.8	146.2	60.1	0	0	0	0	124.6
631	F	32.2	Very low	30.7	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.842	76%	0.761	S	S	*	*				-163	135.4	126.4	-84.4	-60.2	0	0	0	107.9
632	N	27.7	Very low	30.5	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	76%	0.759	S	S	*	*				52.3	135	83.3	-71.6	-16.6	0	0	0	114.5
633	T	32.8	Very low	30.4	Very low	123 Å²	123	138.8 Å²	138.8	76%	0.755	76%	0.757	S	S	*	*			cis	-160.8	175	4.5	0.1	0	0	0	0	113
634	K	27.6	Very low	30.1	Very low	199 Å²	199	140.4 Å²	140.4	87%	0.865	76%	0.758	S	S	*	*			trans	-37.9	145.1	170.7	-48	161.7	-179.5	172.5	0	117
635	S	32.5	Very low	29.9	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	76%	0.757	S	S	*	*				-171.5	152.9	124.5	51.8	0	0	0	0	113.3
636	N	27	Very low	29.8	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	76%	0.756	S	S	*	*			trans	-91.9	-166.1	171.3	-64.8	-31.5	0	0	0	111.2
637	I	31.5	Very low	29.7	Very low	154 Å²	154	141.8 Å²	141.8	79%	0.79	76%	0.759	S	S	*	*			trans	100.5	99.7	179.7	-58.9	159.6	0	0	0	109.3
638	I	25.7	Very low	29.9	Very low	142 Å²	142	140.9 Å²	140.9	73%	0.728	75%	0.754	S	S	*	*				64.9	109.5	50.4	-49.4	173.7	0	0	0	112.8
639	I	31.7	Very low	29.9	Very low	158 Å²	158	142.8 Å²	142.8	81%	0.81	76%	0.76	S	S	*	*			trans	-173	143.7	131.6	-97.7	154.8	0	0	0	108.7
640	D	26.4	Very low	29.9	Very low	134 Å²	134	140.3 Å²	140.3	72%	0.717	76%	0.76	S	S	*	*			trans	-77.1	157.3	-178.5	-45.5	-98.8	0	0	0	112.7
641	S	31.8	Very low	29.9	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	77%	0.769	S	S	*	*				-178.8	120.3	117.8	-81.6	0	0	0	0	114.5
642	L	29.4	Very low	29.7	Very low	146 Å²	146	140.3 Å²	140.3	76%	0.764	76%	0.759	S	S	*	*				59.9	129.4	128.2	-62.8	167.9	0	0	0	122.4
643	N	31.4	Very low	29.8	Very low	126 Å²	126	140.5 Å²	140.5	67%	0.674	76%	0.76	S	S	*	*			trans	77.2	100.6	137.3	-62.1	-0.5	0	0	0	120.7
644	N	29.9	Very low	29.6	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	75%	0.752	S	S	*	*				71.4	153.1	118.5	-71.1	17.5	0	0	0	122.5
645	D	30.4	Very low	29.9	Very low	131 Å²	131	137.3 Å²	137.3	70%	0.701	75%	0.75	S	S	*	*			trans	76.9	106.1	151.8	-61.6	-26.7	0	0	0	121
646	I	29.9	Very low	29.8	Very low	146 Å²	146	136 Å²	136	75%	0.749	74%	0.741	S	S	*	*				93	136.2	128.1	-66.4	169.9	0	0	0	119.1
647	H	30.6	Very low	30	Very low	174 Å²	174	134.7 Å²	134.7	81%	0.806	74%	0.738	S	S	*	*			trans	69.7	142.3	165.2	-97.2	-69.2	0	0	0	123.5
648	T	32.7	Very low	30.1	Very low	104 Å²	104	138.3 Å²	138.3	64%	0.638	74%	0.742	S	S	*	*			trans	-70.2	137.4	166.7	48.8	0	0	0	0	112.9
649	N	30.1	Very low	30.8	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	74%	0.744	S	S	*	*				-173.8	157	124.9	-97.1	-34	0	0	0	112.1
650	C	28.7	Very low	31.1	Very low	117 Å²	117	135.4 Å²	135.4	79%	0.791	74%	0.741	S	S	*	*			trans	-87.6	145.2	167.7	-63.5	0	0	0	0	110.3
651	I	27.8	Very low	31.5	Very low	161 Å²	161	136.7 Å²	136.7	83%	0.826	75%	0.746	S	S	*	*			trans	-169.3	160.6	142.1	-104.1	154.1	0	0	0	111.8
652	L	28.6	Very low	31.6	Very low	122 Å²	122	136.3 Å²	136.3	64%	0.639	74%	0.743	S	S	*	*			trans	-41.7	152.2	-176.5	-65.4	81.4	0	0	0	115.7
653	N	29.7	Very low	31.9	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	74%	0.739	S	S	*	*				-155.6	142.4	61.9	-85.7	-76.3	0	0	0	113.6
654	T	29.3	Very low	32	Very low	96 Å²	96	134.5 Å²	134.5	59%	0.589	74%	0.742	S	S	*	*				86.8	149.7	57.6	-47	0	0	0	0	112.5
655	I	32.7	Very low	32	Very low	160 Å²	160	135 Å²	135	82%	0.821	74%	0.744	S	S	*	*			trans	89	128.2	-180	-52.2	170	0	0	0	114.7
656	S	31.4	Very low	32.2	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	75%	0.748	S	S	*	*			cis	-171.4	130.2	-34	-113.9	0	0	0	0	113.2
657	T	31.6	Very low	32.3	Very low	123 Å²	123	132.8 Å²	132.8	76%	0.755	75%	0.747	S	S	*	*			trans	66.1	166.2	152.6	72.4	0	0	0	0	118
658	R	32.9	Very low	32.7	Very low	231 Å²	231	130.2 Å²	130.2	87%	0.872	75%	0.746	S	S	*	*			cis	-153.6	152.1	13.7	-146.6	159.1	-162	-129.7	7.3	112.5
659	T	39.3	Very low	32.5	Very low	126 Å²	126	132.9 Å²	132.9	77%	0.773	76%	0.755	S	S	*	*			trans	-117.6	171.1	171.6	53.8	0	0	0	0	111.3
660	P	37.8	Very low	32.7	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	76%	0.757	S	S	*	*			trans	-129.9	133.8	139.1	5.8	17.3	0	0	0	112.5
661	I	34.9	Very low	32.7	Very low	161 Å²	161	135.1 Å²	135.1	83%	0.826	75%	0.751	S	S	*	*				76.9	128.5	89.6	-66.2	168.3	0	0	0	111.5
662	S	35.4	Very low	32.7	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	75%	0.752	S	S	*	*			cis	-144.4	146.9	46.3	58.2	0	0	0	0	118.5
663	T	34.1	Very low	32.6	Very low	111 Å²	111	136 Å²	136	68%	0.681	76%	0.757	S	S	*	*			trans	9.4	152.9	142.4	58.4	0	0	0	0	121.1
664	V	34.2	Very low	32.7	Very low	122 Å²	122	134.2 Å²	134.2	74%	0.739	76%	0.755	S	S	*	*			cis	-144.3	130.3	36.1	-162.4	0	0	0	0	107
665	L	29.6	Very low	33.1	Very low	147 Å²	147	134.6 Å²	134.6	77%	0.77	76%	0.759	S	S	*	*				51.1	142.4	78.2	-64.1	172.3	0	0	0	113.3
666	T	34.7	Very low	33	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	76%	0.757	S	S	*	*			cis	-139.8	165.2	7.7	54.6	0	0	0	0	112.1
667	S	32.8	Very low	33.2	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	76%	0.76	S	S	*	*			trans	-69.3	177	155.5	-47.6	0	0	0	0	111.4
668	P	39.4	Very low	33.3	Very low	120 Å²	120	131.7 Å²	131.7	78%	0.779	76%	0.758	S	S	*	*				-144	159.6	98.3	39.8	-26.8	0	0	0	115.7
669	L	28.7	Very low	33.5	Very low	160 Å²	160	125.3 Å²	125.3	84%	0.838	75%	0.749	S	S	*	*			trans	-72.2	145.3	154.6	-60.5	159.1	0	0	0	108.6
670	Y	32.6	Very low	33.4	Very low	233 Å²	233	124.4 Å²	124.4	91%	0.914	75%	0.748	S	S	*	*			trans	-163.2	137	140.6	-112.5	-71.1	0	0	0	112.1
671	S	28.7	Very low	33.5	Very low	95 Å²	95	124.2 Å²	124.2	66%	0.664	75%	0.749	S	S	*	*			trans	-105.2	177.1	171.2	-57	0	0	0	0	110.4
672	F	27.8	Very low	33.7	Very low	191 Å²	191	121.8 Å²	121.8	84%	0.838	75%	0.747	S	S	*	*			trans	97	140	160.3	-70.8	-80.2	0	0	0	120.7
673	C	27.1	Very low	34	Very low	111 Å²	111	122.7 Å²	122.7	75%	0.75	75%	0.75	S	S	*	*			trans	72.9	141.6	155.8	-65.5	0	0	0	0	119.3
674	S	31.8	Very low	34	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	75%	0.751	S	S	*	*			cis	-161.3	-151.6	-15.3	-97	0	0	0	0	108.3
675	P	38.1	Very low	34.2	Very low	103 Å²	103	123.4 Å²	123.4	67%	0.669	75%	0.753	S	S	*	*				-127.5	-179.5	-93.8	39.1	-21.8	0	0	0	114.5
676	S	30.5	Very low	34.6	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	75%	0.751	S	S	*	*			trans	63.8	156.4	155.8	36.6	0	0	0	0	118.3
677	S	34.5	Very low	34.7	Very low	99 Å²	99	119.9 Å²	119.9	69%	0.692	75%	0.746	S	S	*	*			cis	-164	167.4	-10.7	44.3	0	0	0	0	110
678	S	35.2	Very low	34.7	Very low	103 Å²	103	122 Å²	122	72%	0.72	75%	0.747	S	S	*	*			trans	62.8	142.7	150.6	49.3	0	0	0	0	119.7
679	S	36.2	Very low	34.3	Very low	96 Å²	96	120.6 Å²	120.6	67%	0.671	74%	0.739	S	S	*	*			cis	-174.2	166	-12.9	49.9	0	0	0	0	109.8
680	S	36.7	Very low	34.3	Very low	108 Å²	108	119.9 Å²	119.9	76%	0.755	74%	0.735	S	S	*	*			trans	60.5	146	152.7	46	0	0	0	0	118.4
681	S	39.6	Very low	34.1	Very low	109 Å²	109	113 Å²	113	76%	0.762	72%	0.72	S	S	*	*			cis	-170.9	170	-1.8	44.2	0	0	0	0	106.7
682	S	40.6	Very low	34	Very low	110 Å²	110	115.5 Å²	115.5	77%	0.769	73%	0.726	S	S	*	*			cis	-160	169.8	5.1	12.2	0	0	0	0	109
683	P	40.5	Very low	34	Very low	116 Å²	116	110.8 Å²	110.8	75%	0.753	72%	0.717	S	S	*	*			trans	-120.5	-165.7	-159	44.5	-34	0	0	0	115.7
684	S	34.4	Very low	34	Very low	102 Å²	102	112 Å²	112	71%	0.713	72%	0.721	S	S	*	*			trans	77	159.4	154.9	76.9	0	0	0	0	117.5
685	L	38.5	Very low	33.8	Very low	146 Å²	146	112.4 Å²	112.4	76%	0.764	72%	0.723	S	S	*	*			cis	-139	162.7	19.7	-77.3	162.7	0	0	0	114.2
686	S	37.9	Very low	34	Very low	104 Å²	104	113.2 Å²	113.2	73%	0.727	73%	0.729	S	S	*	*			trans	65.4	142.7	143.3	58.4	0	0	0	0	120.8
687	S	37.3	Very low	34.3	Very low	95 Å²	95	113.3 Å²	113.3	66%	0.664	73%	0.727	S	S	*	*			cis	-169.1	144.9	-8.2	-105.1	0	0	0	0	112.6
688	I	33.6	Very low	33.9	Very low	148 Å²	148	116.8 Å²	116.8	76%	0.759	74%	0.737	S	S	*	*			trans	61.3	128.8	131.5	-61	171.8	0	0	0	118.5
689	C	30.2	Very low	33.8	Very low	91 Å²	91	117.4 Å²	117.4	62%	0.615	74%	0.74	S	S	*	*			cis	-173.8	161.7	-7.7	-111.4	0	0	0	0	111.3
690	I	29.3	Very low	33.7	Very low	146 Å²	146	118.4 Å²	118.4	75%	0.749	74%	0.744	S	S	*	*			trans	55.4	137.1	133.9	-63.5	169.2	0	0	0	119.7
691	S	27.5	Very low	33.5	Very low	87 Å²	87	119.5 Å²	119.5	61%	0.608	74%	0.74	S	S	*	*			cis	-178.6	166.4	-13.4	-93.9	0	0	0	0	109.9
692	L	26.8	Very low	33	Very low	148 Å²	148	117.9 Å²	117.9	78%	0.775	74%	0.74	S	S	*	*			trans	58.7	120.6	145.1	-92.8	69.1	0	0	0	118.8
693	S	27	Very low	32.6	Very low	93 Å²	93	119 Å²	119	65%	0.65	74%	0.738	S	S	*	*				62.8	135.7	94.6	84.3	0	0	0	0	115
694	T	27	Very low	32.1	Very low	136 Å²	136	121.8 Å²	121.8	83%	0.834	74%	0.739	S	S	*	*			cis	-152.7	-177.5	43.3	48.7	0	0	0	0	114.4
695	S	27.7	Very low	32	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	74%	0.738	S	S	*	*			trans	-62	169.9	177.8	-35.6	0	0	0	0	116
696	P	43.4	Very low	31.5	Very low	120 Å²	120	121.9 Å²	121.9	78%	0.779	74%	0.736	S	S	*	*			trans	-89.2	174.1	-167.5	38.7	-37.8	0	0	0	114.5
697	P	35.6	Very low	31.1	Very low	112 Å²	112	122.2 Å²	122.2	73%	0.727	73%	0.734	S	S	*	*				-153.4	153	108.8	38.9	-21.7	0	0	0	118.6
698	L	26.7	Very low	30.8	Very low	172 Å²	172	122.7 Å²	122.7	90%	0.901	74%	0.737	S	S	*	*			trans	53.7	148.6	137.9	-61.8	171.2	0	0	0	124.2
699	C	32.4	Very low	30.8	Very low	117 Å²	117	120.8 Å²	120.8	79%	0.791	74%	0.737	S	S	*	*			trans	-85.2	177.2	175.4	-46	0	0	0	0	113.2
700	P	35	Very low	30.7	Very low	116 Å²	116	124.4 Å²	124.4	75%	0.753	75%	0.748	S	S	*	*				-150.9	144.4	95	38	-20.5	0	0	0	118.5
701	I	31.9	Very low	31	Very low	131 Å²	131	123.2 Å²	123.2	67%	0.672	75%	0.753	S	S	*	*			trans	27.6	129.8	131.7	-53.2	165.7	0	0	0	120	F441	F441-I701 HydrophobicContact CD2-CD1 4.38Å; F441-I701 HydrophobicContact CE2-CD1 4.22Å
702	G	29.9	Very low	31.2	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	76%	0.764	S	S	*	*			trans	-174.2	91.3	162	0	0	0	0	0	116
703	N	32.5	Very low	31.6	Very low	134 Å²	134	128.2 Å²	128.2	72%	0.717	77%	0.77	S	S	*	*			trans	-69.1	166.1	-179.3	-61.3	-18.6	0	0	0	114.6
704	F	29.6	Very low	32	Very low	175 Å²	175	126.9 Å²	126.9	77%	0.768	77%	0.771	S	S	*	*				172.2	109.8	110.1	-94.6	-68.9	0	0	0	115
705	T	32.5	Very low	32.2	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	77%	0.774	S	S	*	*			trans	53.5	164.5	131.6	62.1	0	0	0	0	121.6
706	N	28.6	Very low	32.5	Very low	133 Å²	133	127.7 Å²	127.7	71%	0.711	77%	0.767	S	S	*	*			cis	-165.7	177.3	14.3	-140.8	-2.9	0	0	0	114.8
707	V	29.1	Very low	32	Very low	112 Å²	112	127.2 Å²	127.2	68%	0.679	76%	0.762	S	S	*	*			trans	84	101.8	146.1	167.5	0	0	0	0	123.1
708	S	30.4	Very low	32	Very low	105 Å²	105	128.8 Å²	128.8	73%	0.734	76%	0.764	S	S	*	*				51.8	134.8	121.3	-41.4	0	0	0	0	125.9
709	S	33.8	Very low	32.4	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	75%	0.753	S	S	*	*				166.5	128.3	102.8	51.6	0	0	0	0	118.1
710	I	28.9	Very low	32.6	Very low	167 Å²	167	127.9 Å²	127.9	86%	0.856	75%	0.746	S	S	*	*				56.4	123.6	123.8	-57.6	166.4	0	0	0	122.9
711	S	34	Very low	32.5	Very low	120 Å²	120	127.3 Å²	127.3	84%	0.839	74%	0.74	S	S	*	*			trans	-158.5	-173.4	150.1	45.6	0	0	0	0	110.6
712	K	33	Very low	32.6	Very low	196 Å²	196	128.8 Å²	128.8	85%	0.852	74%	0.743	S	S	*	*			trans	-163.1	175.3	-159.6	-127.5	175.8	-176.3	178.9	0	117.1
713	T	34.5	Very low	32.7	Very low	145 Å²	145	132 Å²	132	89%	0.89	74%	0.743	S	S	*	*			trans	80.5	141.9	166.5	68.4	0	0	0	0	119.7
714	G	35.2	Very low	32.5	Very low	65 Å²	65	130.7 Å²	130.7	67%	0.67	74%	0.74	S	S	*	*			cis	166	155.2	-15.7	0	0	0	0	0	117.5
715	L	30.6	Very low	32.6	Very low	172 Å²	172	130.4 Å²	130.4	90%	0.901	74%	0.744	S	S	*	*			trans	69.3	154.1	160.5	-78.9	70.7	0	0	0	119
716	S	35	Very low	32.4	Very low	91 Å²	91	130.5 Å²	130.5	64%	0.636	75%	0.745	S	S	*	*			cis	-156.4	124.4	-5.6	-128.2	0	0	0	0	115.5
717	T	32.5	Very low	32.5	Very low	110 Å²	110	132 Å²	132	68%	0.675	75%	0.752	S	S	*	*				39.4	120.6	120.8	63.6	0	0	0	0	125.2
718	N	36.1	Very low	32.4	Very low	144 Å²	144	134 Å²	134	77%	0.77	76%	0.759	S	S	*	*				-178.1	137.4	112.6	-87.5	-27.1	0	0	0	109.3
719	K	35.5	Very low	32.4	Very low	153 Å²	153	136.6 Å²	136.6	67%	0.665	77%	0.765	S	S	*	*			cis	78.7	139.3	43.6	-71.4	-174.5	150.6	-86.2	0	113.2
720	D	36.6	Very low	32.1	Very low	118 Å²	118	136.7 Å²	136.7	63%	0.631	76%	0.76	S	S	*	*			cis	-161.6	173	3.1	-105.8	-19.1	0	0	0	106.3
721	V	32.4	Very low	31.9	Very low	103 Å²	103	133.4 Å²	133.4	62%	0.624	75%	0.752	S	S	*	*			cis	-165	144	11.2	109.2	0	0	0	0	110.6
722	H	32.8	Very low	31.8	Very low	162 Å²	162	136.6 Å²	136.6	75%	0.75	75%	0.754	S	S	*	*			trans	67.7	162.4	157.9	-76.3	-120	0	0	0	120.9
723	N	33.1	Very low	31.4	Very low	142 Å²	142	134 Å²	134	76%	0.759	75%	0.75	S	S	*	*			cis	-142.2	162.9	11.8	-143.7	0	0	0	0	114.3
724	V	28.5	Very low	31	Very low	108 Å²	108	134.2 Å²	134.2	66%	0.655	74%	0.74	S	S	*	*			trans	-120.8	137.7	-173.3	174.2	0	0	0	0	112.4	T726	V724-T726 HydrophobicContact CG1-CG2 4.17Å
725	I	31.6	Very low	30.8	Very low	169 Å²	169	138.8 Å²	138.8	87%	0.867	75%	0.747	S	S	*	*			trans	-136.6	117.6	148.5	-59.3	-176.8	0	0	0	109.1
726	T	27.4	Very low	30.6	Very low	117 Å²	117	136.1 Å²	136.1	72%	0.718	73%	0.733	S	S	*	*			trans	-102.7	137.8	168.1	49.3	0	0	0	0	110.3	V724	V724-T726 HydrophobicContact CG1-CG2 4.17Å
727	L	32.1	Very low	30.4	Very low	166 Å²	166	139.7 Å²	139.7	87%	0.869	75%	0.745	S	S	*	*			trans	-142.1	125.9	151.7	-94.7	175	0	0	0	109.4
728	N	25.8	Very low	30.3	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	75%	0.75	S	S	*	*			trans	-73.6	153	155.4	-67.2	-27	0	0	0	107.7
729	D	31.5	Very low	30.4	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	75%	0.751	S	S	*	*			trans	-149.5	162.9	138.1	-134.1	-31.4	0	0	0	113.2
730	T	26.5	Very low	30.3	Very low	109 Å²	109	145.5 Å²	145.5	67%	0.669	75%	0.75	S	S	*	*			trans	-119.2	143.9	-162.1	-13.1	0	0	0	0	111.8
731	S	25	Very low	30.2	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	76%	0.759	S	S	*	*			trans	54.5	108.4	155.6	58.5	0	0	0	0	120
732	Q	31.3	Very low	30.5	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	76%	0.757	S	S	*	*			trans	-158.7	120.5	144.5	-101.2	139.2	84.2	0	0	107
733	N	25.3	Very low	30.4	Very low	141 Å²	141	144.7 Å²	144.7	75%	0.754	75%	0.75	S	S	*	*				65.5	109.9	52.7	-85.7	-20.8	0	0	0	116.1
734	H	26.3	Very low	30.3	Very low	150 Å²	150	144 Å²	144	69%	0.694	75%	0.745	S	S	*	*			trans	52.4	122.8	152.2	-79.7	-88.3	0	0	0	121.8
735	I	30.5	Very low	30.6	Very low	160 Å²	160	144.8 Å²	144.8	82%	0.821	75%	0.751	S	S	*	*			trans	-177.2	94.3	139	-90	143.6	0	0	0	103.7
736	I	26.4	Very low	30.6	Very low	117 Å²	117	142.8 Å²	142.8	60%	0.6	74%	0.742	S	S	*	*				44.4	102.7	72.7	-52.4	-177.2	0	0	0	113.3	K738	I736-K738 HydrophobicContact CG2-CG 4.43Å
737	N	31.9	Very low	30.8	Very low	165 Å²	165	144 Å²	144	88%	0.882	74%	0.743	S	S	*	*			trans	-136.8	142.4	148.8	-121.8	-35.1	0	0	0	109.4
738	K	30.6	Very low	30.4	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	75%	0.745	S	S	*	*			trans	-123.9	165.1	-166.9	-77.7	-175.9	175	-178.9	0	112.1	I736	I736-K738 HydrophobicContact CG2-CG 4.43Å
739	R	36.7	Very low	30.6	Very low	213 Å²	213	143.5 Å²	143.5	80%	0.804	74%	0.744	S	S	*	*			trans	116.1	140.3	163	-67.1	-178.2	140.1	120.6	1.6	113
740	E	34.7	Very low	30.5	Very low	138 Å²	138	141.4 Å²	141.4	65%	0.645	74%	0.738	S	S	*	*			cis	-154.9	129	-14	-107	148.8	-164.5	0	0	104.5
741	L	33.9	Very low	30.7	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	75%	0.747	S	S	*	*				59.3	149.3	87.2	-78.8	163.8	0	0	0	115.4
742	P	37.8	Very low	31	Very low	90 Å²	90	143.8 Å²	143.8	58%	0.584	75%	0.75	S	S	*	*			cis	-137.1	178	-10.1	42	-25.7	0	0	0	115.6
743	M	30.8	Very low	30.8	Very low	119 Å²	119	142.1 Å²	142.1	59%	0.586	75%	0.748	S	S	*	*			trans	-157.9	150.9	140.7	-102.6	-91.6	85.2	0	0	108.7	T82 T84	T82-M743 HydrophobicContact CG2-CB 4Å; T82-M743 HydrophobicContact CG2-CG 3.94Å; T84-M743 PolarHBondContact OG1-O 3.43Å
744	L	32.2	Very low	31	Very low	127 Å²	127	141.7 Å²	141.7	67%	0.665	75%	0.745	S	S	*	*			trans	-122.1	168.1	-147.9	-82.4	162.5	0	0	0	115.4
745	T	33.8	Very low	31.1	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	75%	0.748	S	S	*	*			trans	71.8	148.7	162.9	65.3	0	0	0	0	120
746	D	31.5	Very low	31.1	Very low	127 Å²	127	142.8 Å²	142.8	68%	0.679	75%	0.745	S	S	*	*				-165	150.6	-56.8	-108.9	-46.6	0	0	0	110.9
747	L	31.2	Very low	31.4	Very low	141 Å²	141	144.7 Å²	144.7	74%	0.738	75%	0.751	S	S	*	*			trans	39	116	155.2	-64	165.3	0	0	0	120.8
748	C	25.2	Very low	31.2	Very low	135 Å²	135	145.4 Å²	145.4	91%	0.912	75%	0.749	S	S	*	*			trans	-101.6	120.1	146.9	-80.2	0	0	0	0	109.3
749	E	30.3	Very low	31.6	Very low	175 Å²	175	142.1 Å²	142.1	82%	0.818	75%	0.746	S	S	*	*			trans	-136.2	154.9	165.4	-74.6	-159	140.2	0	0	111.8
750	T	29.2	Very low	31.6	Very low	115 Å²	115	137.2 Å²	137.2	71%	0.706	74%	0.742	S	S	*	*			trans	-92.2	138.6	-172	50.8	0	0	0	0	113.2	T752	T750-T752 PolarHBondContact O-N 3.24Å
751	P	30.4	Very low	31.2	Very low	134 Å²	134	137.9 Å²	137.9	87%	0.87	75%	0.749	S	S	*	*			trans	-79.8	107.9	167.8	31.7	-31.5	0	0	0	110.9
752	T	31.3	Very low	31.1	Very low	123 Å²	123	135.7 Å²	135.7	76%	0.755	74%	0.738	S	S	*	*			trans	-119.4	144	165.8	47.6	0	0	0	0	111.4	T750	T750-T752 PolarHBondContact O-N 3.24Å
753	N	27	Very low	30.8	Very low	154 Å²	154	139 Å²	139	82%	0.824	75%	0.746	S	S	*	*			trans	-59.2	142.3	-167.9	-61.1	-61.5	0	0	0	114.5
754	N	28.9	Very low	30.7	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	75%	0.75	S	S	*	*				-169.8	133.8	116.3	-103.8	-68.7	0	0	0	114.2
755	K	28.1	Very low	30.5	Very low	173 Å²	173	140.1 Å²	140.1	75%	0.752	76%	0.756	S	S	*	*			trans	44.6	111.7	144.4	-59.3	164	-176.3	172.8	0	119.5
756	Q	31.6	Very low	30.5	Very low	161 Å²	161	139.1 Å²	139.1	75%	0.752	75%	0.75	S	S	*	*				-169.9	156.2	95.7	-102.5	162.8	84.9	0	0	113.6
757	Q	32.3	Very low	30.3	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.734	75%	0.748	S	S	*	*			trans	25.8	143.9	147.1	-63.3	154.8	20.4	0	0	120.2
758	Q	28.5	Very low	30.2	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	75%	0.746	S	S	*	*			cis	-177.2	171.7	-21.7	-119.2	-178.6	-4.9	0	0	104.2
759	P	37.3	Very low	30.3	Very low	109 Å²	109	137.9 Å²	137.9	71%	0.708	73%	0.733	S	S	*	*			trans	-89.6	-176.2	-164.4	40.6	-39.4	0	0	0	112.8
760	P	36.6	Very low	30.5	Very low	110 Å²	110	135.8 Å²	135.8	71%	0.714	73%	0.732	S	S	*	*				-147.3	140.3	90.3	38	-20.9	0	0	0	117.2
761	L	27.4	Very low	30.4	Very low	152 Å²	152	136 Å²	136	80%	0.796	73%	0.729	S	S	*	*				72.7	148.3	127.9	-69.1	174.7	0	0	0	124
762	N	31.9	Very low	30.4	Very low	111 Å²	111	137.9 Å²	137.9	59%	0.594	72%	0.723	S	S	*	*			trans	83.3	116.6	150.9	-74.5	27.3	0	0	0	119.6
763	E	30.4	Very low	30.2	Very low	161 Å²	161	138 Å²	138	75%	0.752	72%	0.724	S	S	*	*				83.8	133	56.3	-79.9	-175.7	172	0	0	111.6
764	T	29.2	Very low	30.3	Very low	108 Å²	108	135.7 Å²	135.7	66%	0.663	72%	0.72	S	S	*	*			cis	-155.3	-177.4	-12.1	-51.7	0	0	0	0	106.8
765	M	29.2	Very low	30.4	Very low	161 Å²	161	135 Å²	135	79%	0.793	72%	0.72	S	S	*	*			trans	77.4	149.5	159.9	-50.5	-143.7	120.6	0	0	115.7
766	T	33.4	Very low	30.4	Very low	105 Å²	105	135.8 Å²	135.8	64%	0.644	72%	0.724	S	S	*	*			cis	-158.2	161.9	-12.2	16.6	0	0	0	0	109.8
767	N	27.5	Very low	30.3	Very low	121 Å²	121	133.2 Å²	133.2	65%	0.647	72%	0.723	S	S	*	*				3.3	148.8	119.3	-65.8	33.8	0	0	0	117
768	E	27.4	Very low	30.2	Very low	151 Å²	151	131.4 Å²	131.4	71%	0.706	72%	0.723	S	S	*	*			cis	-168.8	176	5.6	-119.6	174.8	110.9	0	0	110.9
769	V	28.1	Very low	30.2	Very low	105 Å²	105	129.1 Å²	129.1	64%	0.636	72%	0.717	S	S	*	*			trans	40.7	117.2	143	178.7	0	0	0	0	120.1
770	V	34.8	Very low	29.8	Very low	131 Å²	131	129.1 Å²	129.1	79%	0.794	71%	0.71	S	S	*	*				167.4	98.4	125.2	161.9	0	0	0	0	104.7
771	N	26.8	Very low	29.7	Very low	120 Å²	120	132.6 Å²	132.6	64%	0.642	71%	0.714	S	S	*	*			cis	71.4	124.1	47.3	-154.8	-1.4	0	0	0	112.8
772	K	30.8	Very low	30	Very low	172 Å²	172	131.5 Å²	131.5	75%	0.748	70%	0.703	S	S	*	*			trans	70.5	149	172.5	-51.4	173.6	-175	170.6	0	116.1
773	T	27.2	Very low	30	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	71%	0.708	S	S	*	*			cis	-175.4	166.7	-21.9	35.4	0	0	0	0	108.4
774	S	29	Very low	30.2	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	70%	0.702	S	S	*	*			trans	84.5	167.2	143.5	-154.3	0	0	0	0	119.3
775	V	31.1	Very low	30.2	Very low	117 Å²	117	133.6 Å²	133.6	71%	0.709	71%	0.71	S	S	*	*			trans	59.5	90.6	170.1	-159.4	0	0	0	0	114.7
776	K	28	Very low	30.1	Very low	189 Å²	189	131 Å²	131	82%	0.822	71%	0.708	S	S	*	*				55.1	130.4	86.5	-74	-177	173.4	178	0	115.3
777	S	29.1	Very low	30.2	Very low	107 Å²	107	132 Å²	132	75%	0.748	71%	0.709	S	S	*	*			trans	60.9	165.5	158.9	57.5	0	0	0	0	113.8
778	V	29.9	Very low	30.4	Very low	119 Å²	119	133.4 Å²	133.4	72%	0.721	71%	0.712	S	S	*	*			cis	-138.4	120.3	27.2	151.7	0	0	0	0	106.1
779	N	29.5	Very low	30.7	Very low	132 Å²	132	134.3 Å²	134.3	71%	0.706	71%	0.714	S	S	*	*				66	117.5	102.6	-94.4	-20.7	0	0	0	113.5
780	L	29.2	Very low	30.9	Very low	108 Å²	108	137.1 Å²	137.1	57%	0.565	72%	0.717	S	S	*	*				89.2	102.9	75.8	176.1	99.2	0	0	0	113.2	K782	L780-K782 HydrophobicContact CG-CG 4.3Å
781	F	34.6	Very low	30.9	Very low	184 Å²	184	135.5 Å²	135.5	81%	0.807	71%	0.712	S	S	*	*			trans	-134.5	111.7	134.9	-92.8	-96.7	0	0	0	106
782	K	32	Very low	31.3	Very low	129 Å²	129	135.2 Å²	135.2	56%	0.561	71%	0.714	S	S	*	*				68.2	130.6	77.6	-70.2	174.4	-165.1	164.3	0	110.7	L780	L780-K782 HydrophobicContact CG-CG 4.3Å
783	N	32.2	Very low	31.7	Very low	131 Å²	131	135.9 Å²	135.9	70%	0.701	72%	0.717	S	S	*	*			cis	-148.5	146.1	33.7	-118.9	-3.6	0	0	0	114.9
784	T	34.3	Very low	32.1	Very low	101 Å²	101	134.6 Å²	134.6	62%	0.62	71%	0.714	S	S	*	*			trans	25.7	118.1	133.3	58	0	0	0	0	119.4
785	K	29.6	Very low	32.3	Very low	192 Å²	192	136.2 Å²	136.2	84%	0.835	71%	0.712	S	S	*	*				69	133.8	81.6	-77	-172.2	173.8	-174.3	0	114.9
786	S	27.4	Very low	32.7	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	72%	0.721	S	S	*	*			trans	59.6	134.1	166.8	30.3	0	0	0	0	115.3
787	D	35.2	Very low	33	Very low	125 Å²	125	140.2 Å²	140.2	67%	0.668	72%	0.721	S	S	*	*			cis	-142.1	145.7	31.3	-94.3	-53.6	0	0	0	112.7
788	Q	32.1	Very low	33.3	Very low	150 Å²	150	142 Å²	142	70%	0.701	72%	0.721	S	S	*	*				45.7	114	100.1	-58.8	-173.5	79.2	0	0	117
789	F	34	Very low	33.6	Very low	171 Å²	171	146 Å²	146	75%	0.75	73%	0.728	S	S	*	*				170.9	110.4	123.5	-105.8	-101	0	0	0	106.2
790	K	33.2	Very low	33.9	Very low	163 Å²	163	149.3 Å²	149.3	71%	0.709	74%	0.736	S	S	*	*				54.8	128.4	99.1	-60.8	170.8	-170.9	163.3	0	112.6
791	S	34.6	Very low	34.2	Very low	97 Å²	97	150.9 Å²	150.9	68%	0.678	74%	0.744	S	S	*	*			cis	-160.9	144.2	34.7	-161.3	0	0	0	0	115
792	T	34.7	Very low	34	Very low	114 Å²	114	149.1 Å²	149.1	70%	0.699	74%	0.743	S	S	*	*			trans	38.4	135.7	140.4	61.8	0	0	0	0	121.1
793	K	38.2	Very low	34.1	Very low	186 Å²	186	150.9 Å²	150.9	81%	0.809	76%	0.759	S	S	*	*			cis	-148.5	132.3	31.8	-66.8	178.2	-178	172.8	0	110.9
794	S	37.3	Very low	34.2	Very low	99 Å²	99	154.1 Å²	154.1	69%	0.692	77%	0.77	S	S	*	*				64.4	92.2	97.7	-42.6	0	0	0	0	115.3
795	I	32.6	Very low	34.1	Very low	139 Å²	139	160.5 Å²	160.5	71%	0.713	78%	0.783	S	S	*	*				76.9	106.9	87.3	-66	159.5	0	0	0	115	F797	I795-F797 HydrophobicContact CG2-CD2 3.92Å; I795-F797 HydrophobicContact CG2-CE2 4.09Å
796	K	38.8	Very low	34.2	Very low	203 Å²	203	158.6 Å²	158.6	88%	0.883	78%	0.781	S	S	*	*			trans	-170.2	89.3	142.1	-105.7	167.7	-175.2	177.3	0	108.8
797	F	34.4	Very low	34.6	Very low	187 Å²	187	161.6 Å²	161.6	82%	0.82	79%	0.787	S	S	*	*				75.5	98	96.4	-96	-79.7	0	0	0	116	I795	I795-F797 HydrophobicContact CG2-CD2 3.92Å; I795-F797 HydrophobicContact CG2-CE2 4.09Å
798	I	36.3	Very low	34.6	Very low	146 Å²	146	161.1 Å²	161.1	75%	0.749	79%	0.788	S	S	*	*			trans	-24.7	124.2	156.7	-59.5	156.8	0	0	0	114.1
799	K	35.4	Very low	34.6	Very low	202 Å²	202	161.5 Å²	161.5	88%	0.878	80%	0.795	S	S	*	*			trans	-172.4	80.9	140.1	-110.4	175.5	-177.5	-179.1	0	113.7
800	K	36.3	Very low	34.7	Very low	202 Å²	202	162.2 Å²	162.2	88%	0.878	80%	0.801	S	S	*	*			trans	-177	112.6	132.6	-105.7	177.9	178.6	-174.9	0	111.2
801	L	35	Very low	34.9	Very low	140 Å²	140	164.1 Å²	164.1	73%	0.733	81%	0.809	S	S	*	*			trans	-78.6	-167.5	149.2	-89.6	75	0	0	0	108.1
802	D	30	Very low	35.1	Very low	147 Å²	147	165.2 Å²	165.2	79%	0.786	81%	0.807	S	S	*	*			trans	76.2	75.7	169.8	-46.9	-33	0	0	0	115.3
803	N	35.1	Very low	35.5	Very low	166 Å²	166	169 Å²	169	89%	0.888	82%	0.816	S	S	*	*	S	Bend	trans	-168.7	-9.9	139	-99.9	-36.8	0	0	0	114.9	R805	N803-R805 PolarHBondContact O-N 2.93Å
804	E	34.7	Very low	35.4	Very low	199 Å²	199	169.8 Å²	169.8	93%	0.93	81%	0.814	S	S	*	*			trans	-102	70.8	-176.2	-63.7	-161.8	150.3	0	0	114.4
805	R	31.9	Very low	35.7	Very low	235 Å²	235	176.4 Å²	176.4	89%	0.887	82%	0.824	S	S	*	*			trans	-142.5	157.3	157	-76.8	-166.8	169.8	172.8	-3	110.2	N803	N803-R805 PolarHBondContact O-N 2.93Å
806	L	31.3	Very low	36.1	Very low	153 Å²	153	177.6 Å²	177.6	80%	0.801	83%	0.829	S	S	*	*			trans	72.2	60.4	173.7	-64.9	154.4	0	0	0	117.5
807	I	35.3	Very low	36.4	Very low	169 Å²	169	171.4 Å²	171.4	87%	0.867	81%	0.805	S	S	*	*				-125.5	92.7	126.5	-56	-178.4	0	0	0	107.5
808	T	36.4	Very low	37.4	Very low	115 Å²	115	172.8 Å²	172.8	71%	0.706	81%	0.811	S	S	*	*			trans	-76.8	148.3	172.1	36.6	0	0	0	0	110.9	E810	T808-E810 PolarHBondContact O-N 3.22Å; T808-E810 VanDerWaalsContact O-N 3.17Å
809	N	30.3	Very low	38.5	Very low	158 Å²	158	171 Å²	171	85%	0.845	81%	0.811	S	S	*	*	S	Bend	trans	-77.4	98.3	-170.8	-65.7	-66.5	0	0	0	112.4
810	E	36.7	Very low	39.8	Very low	187 Å²	187	165.1 Å²	165.1	87%	0.874	79%	0.792	S	S	*	*			trans	-151.9	-10	170.4	-130.1	163.2	-130.7	0	0	117.7	T808	T808-E810 PolarHBondContact O-N 3.22Å; T808-E810 VanDerWaalsContact O-N 3.17Å
811	K	38.2	Very low	40.6	Very low	203 Å²	203	159.8 Å²	159.8	88%	0.883	80%	0.795	S	S	*	*			trans	-127	67.6	179	-74	-174.9	177.3	173.8	0	114
812	L	38.6	Very low	42	Very low	120 Å²	120	161.6 Å²	161.6	63%	0.628	80%	0.797	S	S	*	*			trans	-125.7	77.4	165.6	-74.7	177.4	0	0	0	111.1	R814	L812-R814 VanDerWaalsContact C-N 3.26Å; L812-R814 PolarHBondContact O-N 2.83Å
813	H	42.6	Very low	43.7	Very low	194 Å²	194	162.2 Å²	162.2	90%	0.898	80%	0.798	S	S	*	*			trans	-67.4	85	166.8	-81.6	-54.1	0	0	0	110.8	R815	H813-R815 PolarHBondContact O-N 2.99Å
814	R	37.1	Very low	44.9	Very low	201 Å²	201	158.1 Å²	158.1	76%	0.758	77%	0.773	S	S	*	*			trans	-70.4	91.1	169.1	-56.6	-175.8	-164.5	-165.1	5.6	108.9	L812 M816	L812-R814 VanDerWaalsContact C-N 3.26Å; L812-R814 PolarHBondContact O-N 2.83Å; R814-M816 PolarHBondContact O-N 2.91Å; R814-M816 VanDerWaalsContact O-N 3.08Å
815	R	41.9	Very low	46.5	Very low	238 Å²	238	159.2 Å²	159.2	90%	0.898	77%	0.768	S	S	*	*			trans	-68	104.3	164.3	-75.4	-174.7	175	171.2	-1.4	108.3	H813	H813-R815 PolarHBondContact O-N 2.99Å
816	M	41.2	Very low	48.3	Very low	165 Å²	165	155.3 Å²	155.3	81%	0.813	76%	0.763	S	S	*	*			trans	-78.9	120.8	167.2	-70.3	176	62.6	0	0	108.5	R814 K818	R814-M816 PolarHBondContact O-N 2.91Å; R814-M816 VanDerWaalsContact O-N 3.08Å; M816-K818 PolarHBondContact O-N 2.99Å
817	D	45.8	Very low	50.3	Low	72 Å²	72	157.3 Å²	157.3	39%	0.385	76%	0.76	S	S	.	*			trans	-68.8	109.9	169.2	-74.8	-45.5	0	0	0	108.9	S819 T820 K824	D817-S819 PolarHBondContact O-N 3.17Å; D817-T820 PolarHBondContact O-N 3.37Å; D817-K824 WeakPolarHBondContact OD2-CE 3.24Å; D817-K824 IonicContact OD2-NZ 2.65Å; D817-K824 PolarHBondContact OD2-NZ 3.21Å
818	K	55.8	Low	52.3	Low	217 Å²	217	154.5 Å²	154.5	94%	0.943	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-11.7	-176.7	-70.8	-172.6	175.3	-175.5	0	114.3	M816	M816-K818 PolarHBondContact O-N 2.99Å
819	S	60	Low	54.6	Low	109 Å²	109	153.1 Å²	153.1	76%	0.762	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-21	-178.3	54.7	0	0	0	0	115.1	D817	D817-S819 PolarHBondContact O-N 3.17Å
820	T	61.4	Low	57.6	Low	77 Å²	77	148 Å²	148	47%	0.472	72%	0.716	S	S	.	*			trans	-145.8	123.8	174.3	61.1	0	0	0	0	111.4	D817 K822	D817-T820 PolarHBondContact O-N 3.37Å; T820-K822 PolarHBondContact O-N 3.27Å
821	G	54.4	Low	60.2	Low	90 Å²	90	146.4 Å²	146.4	93%	0.928	71%	0.706	S	S	*	*			trans	-70.3	28.9	-176.8	0	0	0	0	0	116.3
822	K	63.1	Low	62.8	Low	179 Å²	179	141.3 Å²	141.3	78%	0.778	69%	0.685	S	S	*	*			trans	-110.8	113.2	-175.7	-68.6	179.6	-179	174.4	0	110.5	T820 K824	T820-K822 PolarHBondContact O-N 3.27Å; K822-K824 PolarHBondContact O-N 3.26Å; K822-K824 VanDerWaalsContact O-N 3.09Å
823	I	66	Low	65.4	Low	160 Å²	160	142 Å²	142	82%	0.821	69%	0.686	S	S	*	*			trans	-61.9	111.4	179.4	-58.1	173.4	0	0	0	110	R825	I823-R825 PolarHBondContact O-N 3.18Å
824	K	61.3	Low	67.9	Low	80 Å²	80	134.2 Å²	134.2	35%	0.348	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-64.1	131.2	170.8	-70.4	174.9	175.3	169	0	109.6	D817 K822 I826 N948	D817-K824 WeakPolarHBondContact OD2-CE 3.24Å; D817-K824 IonicContact OD2-NZ 2.65Å; D817-K824 PolarHBondContact OD2-NZ 3.21Å; K822-K824 PolarHBondContact O-N 3.26Å; K822-K824 VanDerWaalsContact O-N 3.09Å; K824-I826 PolarHBondContact O-N 3.11Å; K824-N948 VanDerWaalsContact CE-ND2 3.3Å; K824-N948 WeakPolarHBondContact CE-ND2 3.46Å
825	R	67.2	Low	70.8	Confident	222 Å²	222	127.6 Å²	127.6	84%	0.838	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-71.6	122.2	173.2	-86.2	-175.6	-91.6	134.9	-9.6	109.7	I823 R827	I823-R825 PolarHBondContact O-N 3.18Å; R825-R827 PolarHBondContact O-N 3.33Å
826	I	69.7	Low	73.3	Confident	152 Å²	152	124.1 Å²	124.1	78%	0.779	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-59	124.4	177	-60.2	175.1	0	0	0	109.5	K824	K824-I826 PolarHBondContact O-N 3.11Å
827	R	73.6	Confident	75.9	Confident	196 Å²	196	118.5 Å²	118.5	74%	0.74	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-88.3	126	178.6	-154.3	172.8	-169.5	163.7	-2.3	109.4	R825 S829 D947	R825-R827 PolarHBondContact O-N 3.33Å; R827-S829 PolarHBondContact O-N 3.27Å; R827-D947 IonicContact NH1-OD1 3.98Å
828	T	76.8	Confident	78.3	Confident	109 Å²	109	115 Å²	115	67%	0.669	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-66	116.9	176.6	51	0	0	0	0	110.3
829	S	85.8	Confident	80.3	Confident	86 Å²	86	107.5 Å²	107.5	60%	0.601	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-84	149.2	169.9	-167.1	0	0	0	0	110.9	R827	R827-S829 PolarHBondContact O-N 3.27Å
830	F	92.9	Very high	82	Confident	52 Å²	52	105.8 Å²	105.8	23%	0.228	53%	0.526	C	S	.	.			trans	-105	138.2	176.7	-60	-70.4	0	0	0	109.5	L835 M838 L862 V866 W870	F830-L835 HydrophobicContact CB-CD1 4.27Å; F830-L835 HydrophobicContact CB-CD2 3.78Å; F830-L835 HydrophobicContact CB-CG 3.74Å; F830-L835 HydrophobicContact CD2-CD2 4Å; F830-L835 HydrophobicContact CG-CD2 4.15Å; F830-M838 HydrophobicContact CD1-CE 4.13Å; F830-M838 HydrophobicContact CG-CE 4.2Å; F830-L862 HydrophobicContact CD1-CD1 3.72Å; F830-L862 HydrophobicContact CD1-CD2 4.07Å; F830-L862 HydrophobicContact CE1-CD1 3.86Å; F830-L862 HydrophobicContact CE1-CD2 4.2Å; F830-V866 HydrophobicContact CE1-CG1 3.6Å; F830-V866 HydrophobicContact CZ-CG1 4.06Å; F830-W870 AromaticContact CE2-CD1 3.72Å; F830-W870 AromaticContact CZ-CD1 3.97Å
831	K	92.1	Very high	83.6	Confident	153 Å²	153	104.1 Å²	104.1	67%	0.665	51%	0.511	S	S	*	.			trans	-63.9	144.8	171.6	-62.8	-175.5	177.6	-176	0	109.5	Q833 Q834 L835	K831-Q833 PolarHBondContact O-N 3.18Å; K831-Q833 VanDerWaalsContact O-N 3.13Å; K831-Q834 HydrophobicContact CB-CG 4.15Å; K831-Q834 WeakPolarHBondContact O-CA 3.45Å; K831-Q834 WeakPolarHBondContact O-CB 3.32Å; K831-Q834 PolarHBondContact O-N 3.05Å; K831-L835 PolarHBondContact O-N 2.94Å; K831-L835 VanDerWaalsContact O-N 3.11Å
832	H	91.2	Very high	85.6	Confident	95 Å²	95	101 Å²	101	44%	0.44	47%	0.472	S	S	.	.	H	α-helix	trans	-53	-38.8	-180	-176.8	112.7	0	0	0	112.6	Q834 L835 R836	H832-Q834 PolarHBondContact O-N 2.77Å; H832-L835 PolarHBondContact O-N 3Å; H832-R836 PolarHBondContact CD2-NH2 3.07Å; H832-R836 VanDerWaalsContact CD2-NH2 3.29Å; H832-R836 PolarHBondContact NE2-NH2 3.37Å; H832-R836 WeakPolarHBondContact O-CB 3.48Å; H832-R836 PolarHBondContact O-N 3.09Å
833	Q	93.6	Very high	87.1	Confident	135 Å²	135	99.2 Å²	99.2	63%	0.631	47%	0.466	S	S	*	.	H	α-helix	trans	-59	-41.7	174.2	-173.6	-175.1	10.6	0	0	112.9	K831 R836 I837	K831-Q833 PolarHBondContact O-N 3.18Å; K831-Q833 VanDerWaalsContact O-N 3.13Å; Q833-R836 PolarHBondContact O-N 3Å; Q833-I837 HydrophobicContact CG-CD1 4.23Å; Q833-I837 WeakPolarHBondContact O-CG1 3.46Å; Q833-I837 PolarHBondContact O-N 2.8Å; Q833-I837 VanDerWaalsContact O-N 3.09Å
834	Q	96	Very high	88.2	Confident	30 Å²	30	100 Å²	100	14%	0.14	46%	0.464	C	S	.	.	H	α-helix	trans	-65.6	-43.7	177.2	-61.7	170.7	-39.4	0	0	110.5	K831 H832 R836 I837 M838 T860 L862	K831-Q834 HydrophobicContact CB-CG 4.15Å; K831-Q834 WeakPolarHBondContact O-CA 3.45Å; K831-Q834 WeakPolarHBondContact O-CB 3.32Å; K831-Q834 PolarHBondContact O-N 3.05Å; H832-Q834 PolarHBondContact O-N 2.77Å; Q834-R836 VanDerWaalsContact C-N 3.33Å; Q834-R836 PolarHBondContact O-N 2.67Å; Q834-I837 PolarHBondContact O-N 3.26Å; Q834-M838 HydrophobicContact CB-CE 4.28Å; Q834-M838 WeakPolarHBondContact O-CB 3.37Å; Q834-M838 WeakPolarHBondContact O-CE 3.39Å; Q834-M838 VanDerWaalsContact O-CG 3.31Å; Q834-M838 WeakPolarHBondContact O-CG 3.16Å; Q834-M838 PolarHBondContact O-N 3.25Å; Q834-T860 WeakPolarHBondContact CG-O 3.27Å; Q834-T860 PolarHBondContact NE2-O 2.95Å; Q834-L862 HydrophobicContact CB-CD1 4.2Å
835	L	96.3	Very high	89.7	Confident	62 Å²	62	97.7 Å²	97.7	33%	0.325	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-39.5	175.4	-68.8	172.7	0	0	0	112.2	F830 K831 H832 M838 K839	F830-L835 HydrophobicContact CB-CD1 4.27Å; F830-L835 HydrophobicContact CB-CD2 3.78Å; F830-L835 HydrophobicContact CB-CG 3.74Å; F830-L835 HydrophobicContact CD2-CD2 4Å; F830-L835 HydrophobicContact CG-CD2 4.15Å; K831-L835 PolarHBondContact O-N 2.94Å; K831-L835 VanDerWaalsContact O-N 3.11Å; H832-L835 PolarHBondContact O-N 3Å; L835-M838 HydrophobicContact CD2-CE 4.03Å; L835-M838 PolarHBondContact O-N 2.9Å; L835-K839 WeakPolarHBondContact O-CB 3.46Å; L835-K839 PolarHBondContact O-N 3.01Å
836	R	96	Very high	90.9	Very high	165 Å²	165	90.3 Å²	90.3	62%	0.623	43%	0.433	S	S	*	.	H	α-helix	trans	-63.1	-47.2	177.5	-166.1	-178	-61.7	178.1	-1.3	111.7	H832 Q833 Q834 S840	H832-R836 PolarHBondContact CD2-NH2 3.07Å; H832-R836 VanDerWaalsContact CD2-NH2 3.29Å; H832-R836 PolarHBondContact NE2-NH2 3.37Å; H832-R836 WeakPolarHBondContact O-CB 3.48Å; H832-R836 PolarHBondContact O-N 3.09Å; Q833-R836 PolarHBondContact O-N 3Å; Q834-R836 VanDerWaalsContact C-N 3.33Å; Q834-R836 PolarHBondContact O-N 2.67Å; R836-S840 WeakPolarHBondContact O-CB 3.28Å; R836-S840 PolarHBondContact O-N 3.42Å
837	I	95.5	Very high	92.1	Very high	47 Å²	47	88.7 Å²	88.7	24%	0.241	43%	0.425	C	S	.	.	H	α-helix	trans	-62.9	-42.7	176.5	-65.3	164.7	0	0	0	111.1	Q833 Q834 Y841 L856 K859 T860	Q833-I837 HydrophobicContact CG-CD1 4.23Å; Q833-I837 WeakPolarHBondContact O-CG1 3.46Å; Q833-I837 PolarHBondContact O-N 2.8Å; Q833-I837 VanDerWaalsContact O-N 3.09Å; Q834-I837 PolarHBondContact O-N 3.26Å; I837-Y841 WeakPolarHBondContact O-CB 3.48Å; I837-Y841 PolarHBondContact O-N 2.68Å; I837-Y841 VanDerWaalsContact O-N 3.08Å; I837-L856 HydrophobicContact CG2-CD2 4Å; I837-K859 WeakPolarHBondContact CD1-O 3.45Å; I837-K859 HydrophobicContact CG2-CB 4.34Å; I837-T860 HydrophobicContact CB-CG2 4.05Å; I837-T860 HydrophobicContact CD1-CG2 4.36Å; I837-T860 HydrophobicContact CG2-CG2 3.76Å
838	M	96.7	Very high	93.1	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-70.5	-39.8	179.6	-69.7	-174.1	-66.8	0	0	113.2	F830 Q834 L835 F842 T860 L862 L867 W870 F871	F830-M838 HydrophobicContact CD1-CE 4.13Å; F830-M838 HydrophobicContact CG-CE 4.2Å; Q834-M838 HydrophobicContact CB-CE 4.28Å; Q834-M838 WeakPolarHBondContact O-CB 3.37Å; Q834-M838 WeakPolarHBondContact O-CE 3.39Å; Q834-M838 VanDerWaalsContact O-CG 3.31Å; Q834-M838 WeakPolarHBondContact O-CG 3.16Å; Q834-M838 PolarHBondContact O-N 3.25Å; L835-M838 HydrophobicContact CD2-CE 4.03Å; L835-M838 PolarHBondContact O-N 2.9Å; M838-F842 VanDerWaalsContact O-CB 3.29Å; M838-F842 WeakPolarHBondContact O-CB 3.17Å; M838-F842 PolarHBondContact O-N 3.28Å; M838-T860 HydrophobicContact CG-CG2 4.28Å; M838-L862 HydrophobicContact CE-CD1 3.79Å; M838-L862 HydrophobicContact SD-CD1 3.79Å; M838-L867 HydrophobicContact CG-CD2 3.97Å; M838-L867 HydrophobicContact SD-CD2 3.46Å; M838-L867 WeakPolarHBondContact SD-CD2 3.47Å; M838-W870 HydrophobicContact CB-CD2 4.04Å; M838-W870 HydrophobicContact CB-CE3 3.92Å; M838-W870 HydrophobicContact CB-CH2 3.66Å; M838-W870 HydrophobicContact CB-CZ2 3.74Å; M838-W870 HydrophobicContact CB-CZ3 3.75Å; M838-W870 HydrophobicContact CE-CD2 4.18Å; M838-W870 HydrophobicContact CE-CG 4.05Å; M838-W870 HydrophobicContact CG-CD2 4.44Å; M838-W870 HydrophobicContact CG-CE3 4.48Å; M838-W870 HydrophobicContact SD-CB 4.14Å; M838-W870 HydrophobicContact SD-CD2 3.71Å; M838-W870 HydrophobicContact SD-CE3 4.2Å; M838-W870 HydrophobicContact SD-CG 3.65Å; M838-F871 HydrophobicContact CG-CE2 4.46Å
839	K	96.3	Very high	93.9	Very high	58 Å²	58	79.4 Å²	79.4	25%	0.252	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-52.7	173.6	-83.5	-166.6	169.1	-167.8	0	111.2	L835 Y841 F842 E843 W870 D939	L835-K839 WeakPolarHBondContact O-CB 3.46Å; L835-K839 PolarHBondContact O-N 3.01Å; K839-Y841 VanDerWaalsContact C-N 3.29Å; K839-Y841 PolarHBondContact O-N 2.7Å; K839-F842 WeakPolarHBondContact O-CA 3.24Å; K839-F842 WeakPolarHBondContact O-CB 3.48Å; K839-F842 PolarHBondContact O-N 3.36Å; K839-E843 WeakPolarHBondContact O-CG 3.39Å; K839-E843 PolarHBondContact O-N 2.73Å; K839-W870 HydrophobicContact CG-CH2 4.4Å; K839-W870 HydrophobicContact CG-CZ2 4.41Å; K839-D939 IonicContact NZ-OD1 2.75Å; K839-D939 PolarHBondContact NZ-OD1 2.85Å; K839-D939 IonicContact NZ-OD2 3.71Å
840	S	95.6	Very high	94.3	Very high	74 Å²	74	78.2 Å²	78.2	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-58.9	-37.1	179.6	172	0	0	0	0	113.2	R836 E843	R836-S840 WeakPolarHBondContact O-CB 3.28Å; R836-S840 PolarHBondContact O-N 3.42Å; S840-E843 WeakPolarHBondContact CA-OE2 3.34Å
841	Y	95.8	Very high	94.4	Very high	41 Å²	41	82.9 Å²	82.9	16%	0.161	40%	0.399	C	S	.	.	H	α-helix	trans	-72.4	-36.9	172.4	-171.4	-77	0	0	0	112.3	I837 K839 E843 F844 S845 P848 D852 L856 F871	I837-Y841 WeakPolarHBondContact O-CB 3.48Å; I837-Y841 PolarHBondContact O-N 2.68Å; I837-Y841 VanDerWaalsContact O-N 3.08Å; K839-Y841 VanDerWaalsContact C-N 3.29Å; K839-Y841 PolarHBondContact O-N 2.7Å; Y841-E843 VanDerWaalsContact C-N 3.29Å; Y841-E843 PolarHBondContact O-N 3.4Å; Y841-F844 PolarHBondContact O-N 3.24Å; Y841-F844 VanDerWaalsContact O-N 3.13Å; Y841-S845 WeakPolarHBondContact CE1-OG 3.31Å; Y841-S845 PolarHBondContact O-N 3.34Å; Y841-S845 PolarHBondContact OH-OG 3.04Å; Y841-P848 HydrophobicContact CD1-CB 4.44Å; Y841-P848 HydrophobicContact CE1-CB 3.66Å; Y841-P848 HydrophobicContact CE1-CG 4.34Å; Y841-D852 HydrophobicContact CE1-CB 4.49Å; Y841-D852 HydrophobicContact CE2-CB 4.25Å; Y841-D852 VanDerWaalsContact OH-CB 3.25Å; Y841-D852 WeakPolarHBondContact OH-CB 3.27Å; Y841-D852 PolarHBondContact OH-OD1 2.97Å; Y841-L856 HydrophobicContact CD1-CD1 3.82Å; Y841-L856 HydrophobicContact CD2-CD1 4.23Å; Y841-L856 HydrophobicContact CD2-CD2 4.04Å; Y841-L856 HydrophobicContact CD2-CG 4.34Å; Y841-L856 HydrophobicContact CE1-CD1 4.16Å; Y841-L856 HydrophobicContact CG-CD1 3.9Å; Y841-L856 HydrophobicContact CG-CD2 3.89Å; Y841-L856 HydrophobicContact CG-CG 4.33Å; Y841-F871 AromaticContact CD1-CE1 3.8Å; Y841-F871 HydrophobicContact CD1-CE1 3.8Å; Y841-F871 AromaticContact CD1-CZ 3.67Å; Y841-F871 HydrophobicContact CD1-CZ 3.67Å; Y841-F871 HydrophobicContact CE1-CE1 4.43Å; Y841-F871 HydrophobicContact CG-CZ 4.39Å
842	F	96.7	Very high	94.6	Very high	25 Å²	25	77.5 Å²	77.5	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-37.4	177.6	-173.1	-96.1	0	0	0	112.6	M838 K839 F844 S845 H846 W870 F871 A874 R875 F878	M838-F842 VanDerWaalsContact O-CB 3.29Å; M838-F842 WeakPolarHBondContact O-CB 3.17Å; M838-F842 PolarHBondContact O-N 3.28Å; K839-F842 WeakPolarHBondContact O-CA 3.24Å; K839-F842 WeakPolarHBondContact O-CB 3.48Å; K839-F842 PolarHBondContact O-N 3.36Å; F842-F844 VanDerWaalsContact C-N 3.28Å; F842-F844 PolarHBondContact O-N 3.38Å; F842-S845 CarbonylContact O-C 3.44Å; F842-H846 AromaticContact CD1-CD2 3.58Å; F842-H846 AromaticContact CD1-NE2 3.99Å; F842-H846 AromaticContact CE1-CD2 3.26Å; F842-H846 WeakPolarHBondContact CE1-CD2 3.32Å; F842-H846 AromaticContact CE1-NE2 3.56Å; F842-H846 HydrophobicContact CE2-CB 4.24Å; F842-H846 AromaticContact CE2-CD2 3.71Å; F842-H846 AromaticContact CG-CD2 3.95Å; F842-H846 HydrophobicContact CZ-CB 4.47Å; F842-H846 AromaticContact CZ-CD2 3.33Å; F842-H846 WeakPolarHBondContact CZ-CD2 3.47Å; F842-H846 AromaticContact CZ-NE2 3.99Å; F842-H846 PolarHBondContact O-CD2 3.29Å; F842-W870 HydrophobicContact CB-CH2 4.27Å; F842-W870 HydrophobicContact CB-CZ3 4.09Å; F842-W870 HydrophobicContact CD2-CZ3 4.16Å; F842-W870 HydrophobicContact CG-CZ3 4.34Å; F842-F871 HydrophobicContact CB-CE1 3.99Å; F842-F871 AromaticContact CD2-CD1 3.71Å; F842-F871 HydrophobicContact CD2-CD1 3.71Å; F842-F871 AromaticContact CD2-CE1 3.85Å; F842-F871 HydrophobicContact CD2-CE1 3.85Å; F842-F871 HydrophobicContact CE2-CD1 4.45Å; F842-F871 HydrophobicContact CG-CE1 4.43Å; F842-A874 HydrophobicContact CD2-CB 3.7Å; F842-A874 HydrophobicContact CE1-CB 4.39Å; F842-A874 HydrophobicContact CE2-CB 3.35Å; F842-A874 HydrophobicContact CG-CB 4.36Å; F842-A874 HydrophobicContact CZ-CB 3.74Å; F842-R875 HydrophobicContact CE2-CG 3.8Å; F842-R875 HydrophobicContact CZ-CG 4.22Å; F842-F878 HydrophobicContact CE1-CB 4.43Å; F842-F878 HydrophobicContact CE1-CD2 4.49Å; F842-F878 HydrophobicContact CZ-CB 4.21Å
843	E	93	Very high	94.8	Very high	141 Å²	141	73.4 Å²	73.4	66%	0.659	36%	0.359	S	S	*	.	H	α-helix	trans	-61.3	-33.8	174	-70	146.1	-150.6	0	0	112.3	K839 S840 Y841	K839-E843 WeakPolarHBondContact O-CG 3.39Å; K839-E843 PolarHBondContact O-N 2.73Å; S840-E843 WeakPolarHBondContact CA-OE2 3.34Å; Y841-E843 VanDerWaalsContact C-N 3.29Å; Y841-E843 PolarHBondContact O-N 3.4Å
844	F	90.4	Very high	94.9	Very high	177 Å²	177	73.6 Å²	73.6	78%	0.776	36%	0.358	S	S	*	.	H	α-helix	trans	-83.9	-44.2	174.8	179.5	-99.2	0	0	0	113.3	Y841 F842	Y841-F844 PolarHBondContact O-N 3.24Å; Y841-F844 VanDerWaalsContact O-N 3.13Å; F842-F844 VanDerWaalsContact C-N 3.28Å; F842-F844 PolarHBondContact O-N 3.38Å
845	S	92	Very high	94.9	Very high	31 Å²	31	76.3 Å²	76.3	22%	0.217	37%	0.371	C	S	.	.			trans	-146.3	125.8	169.6	92.1	0	0	0	0	113.8	Y841 F842 N847	Y841-S845 WeakPolarHBondContact CE1-OG 3.31Å; Y841-S845 PolarHBondContact O-N 3.34Å; Y841-S845 PolarHBondContact OH-OG 3.04Å; F842-S845 CarbonylContact O-C 3.44Å; S845-N847 PolarHBondContact O-N 3.02Å
846	H	93.5	Very high	94.9	Very high	67 Å²	67	73.6 Å²	73.6	31%	0.31	36%	0.356	S	S	.	.	S	Bend	trans	-67.6	-22.6	175.9	-62.8	141.6	0	0	0	113.1	F842 P848 R875 F878	F842-H846 AromaticContact CD1-CD2 3.58Å; F842-H846 AromaticContact CD1-NE2 3.99Å; F842-H846 AromaticContact CE1-CD2 3.26Å; F842-H846 WeakPolarHBondContact CE1-CD2 3.32Å; F842-H846 AromaticContact CE1-NE2 3.56Å; F842-H846 HydrophobicContact CE2-CB 4.24Å; F842-H846 AromaticContact CE2-CD2 3.71Å; F842-H846 AromaticContact CG-CD2 3.95Å; F842-H846 HydrophobicContact CZ-CB 4.47Å; F842-H846 AromaticContact CZ-CD2 3.33Å; F842-H846 WeakPolarHBondContact CZ-CD2 3.47Å; F842-H846 AromaticContact CZ-NE2 3.99Å; F842-H846 PolarHBondContact O-CD2 3.29Å; H846-P848 WeakPolarHBondContact O-CD 3.02Å; H846-R875 HydrophobicContact CB-CG 4.18Å; H846-R875 VanDerWaalsContact O-CD 3.28Å; H846-R875 WeakPolarHBondContact O-CD 3.35Å; H846-R875 PolarHBondContact O-NH1 3.39Å; H846-F878 AromaticContact CE1-CE1 3.96Å; H846-F878 AromaticContact CE1-CZ 3.84Å
847	N	94.5	Very high	94.9	Very high	118 Å²	118	67.3 Å²	67.3	63%	0.631	34%	0.338	S	S	*	.	S	Bend	trans	-124.9	69.3	-169.5	-71.7	34.9	0	0	0	112	S845 D849 R875	S845-N847 PolarHBondContact O-N 3.02Å; N847-D849 PolarHBondContact O-N 3.11Å; N847-R875 WeakPolarHBondContact OD1-CD 3.34Å
848	P	94	Very high	94.9	Very high	16 Å²	16	71.9 Å²	71.9	10%	0.104	36%	0.358	C	S	.	.			trans	-60.1	134.1	177.3	23.5	-34.4	0	0	0	112.5	Y841 H846 D852 L853 L856 F871	Y841-P848 HydrophobicContact CD1-CB 4.44Å; Y841-P848 HydrophobicContact CE1-CB 3.66Å; Y841-P848 HydrophobicContact CE1-CG 4.34Å; H846-P848 WeakPolarHBondContact O-CD 3.02Å; P848-D852 HydrophobicContact CB-CB 3.78Å; P848-L853 HydrophobicContact CB-CD2 4.27Å; P848-L853 HydrophobicContact CB-CG 4.13Å; P848-L853 HydrophobicContact CG-CD2 3.99Å; P848-L853 HydrophobicContact CG-CG 4.29Å; P848-L856 HydrophobicContact CB-CD1 4.24Å; P848-F871 HydrophobicContact CG-CB 4.28Å; P848-F871 HydrophobicContact CG-CD1 3.52Å; P848-F871 HydrophobicContact CG-CD2 3.98Å; P848-F871 HydrophobicContact CG-CE1 3.77Å; P848-F871 HydrophobicContact CG-CE2 4.22Å; P848-F871 HydrophobicContact CG-CG 3.65Å; P848-F871 HydrophobicContact CG-CZ 4.13Å
849	D	94.7	Very high	94.9	Very high	94 Å²	94	78.6 Å²	78.6	50%	0.503	39%	0.387	S	S	.	.			trans	-75.9	169.8	174.1	174.2	54.4	0	0	0	111.8	N847 K851 D852 L853	N847-D849 PolarHBondContact O-N 3.11Å; D849-K851 PolarHBondContact O-N 2.98Å; D849-K851 PolarHBondContact OD2-N 3.27Å; D849-D852 WeakPolarHBondContact CB-OD2 3.47Å; D849-D852 PolarHBondContact N-OD2 3.13Å; D849-D852 VanDerWaalsContact N-OD2 3.14Å; D849-D852 PolarHBondContact O-N 3.39Å; D849-D852 VanDerWaalsContact O-N 3.14Å; D849-L853 WeakPolarHBondContact O-CB 3.49Å; D849-L853 VanDerWaalsContact O-CG 3.25Å; D849-L853 WeakPolarHBondContact O-CG 3.47Å; D849-L853 PolarHBondContact O-N 2.9Å
850	S	93.5	Very high	94.8	Very high	62 Å²	62	76.4 Å²	76.4	43%	0.434	38%	0.379	S	S	.	.	H	α-helix	trans	-43.2	-35.3	164.3	-77.3	0	0	0	0	116	K854 K864	S850-K854 PolarHBondContact O-N 2.99Å; S850-K864 VanDerWaalsContact CA-NZ 3.32Å; S850-K864 PolarHBondContact OG-NZ 3.05Å
851	K	94.9	Very high	94.8	Very high	149 Å²	149	76.1 Å²	76.1	65%	0.648	39%	0.388	S	S	*	.	H	α-helix	trans	-70.5	-50.2	174.4	-172.7	-179.7	178.7	-175.9	0	111.4	D849 K854 Q855	D849-K851 PolarHBondContact O-N 2.98Å; D849-K851 PolarHBondContact OD2-N 3.27Å; K851-K854 WeakPolarHBondContact O-CB 3.26Å; K851-K854 PolarHBondContact O-N 3.47Å; K851-K854 VanDerWaalsContact O-N 3.14Å; K851-Q855 PolarHBondContact O-N 3.08Å
852	D	95.6	Very high	94.8	Very high	41 Å²	41	75.3 Å²	75.3	22%	0.219	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-43.3	-179.9	-54.8	-78	0	0	0	112.2	Y841 P848 D849 K854 Q855 L856	Y841-D852 HydrophobicContact CE1-CB 4.49Å; Y841-D852 HydrophobicContact CE2-CB 4.25Å; Y841-D852 VanDerWaalsContact OH-CB 3.25Å; Y841-D852 WeakPolarHBondContact OH-CB 3.27Å; Y841-D852 PolarHBondContact OH-OD1 2.97Å; P848-D852 HydrophobicContact CB-CB 3.78Å; D849-D852 WeakPolarHBondContact CB-OD2 3.47Å; D849-D852 PolarHBondContact N-OD2 3.13Å; D849-D852 VanDerWaalsContact N-OD2 3.14Å; D849-D852 PolarHBondContact O-N 3.39Å; D849-D852 VanDerWaalsContact O-N 3.14Å; D852-K854 PolarHBondContact O-N 2.81Å; D852-Q855 PolarHBondContact O-N 3.14Å; D852-L856 WeakPolarHBondContact O-CB 3.45Å; D852-L856 WeakPolarHBondContact O-CG 3.46Å; D852-L856 PolarHBondContact O-N 2.8Å
853	L	96	Very high	94.8	Very high	8 Å²	8	77.1 Å²	77.1	4%	0.042	40%	0.402	C	S	.	.	H	α-helix	trans	-58	-29.4	174.3	-73	168.1	0	0	0	112.3	P848 D849 S857 K864 L867 Q868	P848-L853 HydrophobicContact CB-CD2 4.27Å; P848-L853 HydrophobicContact CB-CG 4.13Å; P848-L853 HydrophobicContact CG-CD2 3.99Å; P848-L853 HydrophobicContact CG-CG 4.29Å; D849-L853 WeakPolarHBondContact O-CB 3.49Å; D849-L853 VanDerWaalsContact O-CG 3.25Å; D849-L853 WeakPolarHBondContact O-CG 3.47Å; D849-L853 PolarHBondContact O-N 2.9Å; L853-S857 WeakPolarHBondContact O-CB 3.41Å; L853-S857 PolarHBondContact O-N 2.8Å; L853-K864 HydrophobicContact CB-CD 4.15Å; L853-K864 HydrophobicContact CB-CG 4.03Å; L853-K864 HydrophobicContact CD1-CG 4.3Å; L853-L867 HydrophobicContact CD2-CB 3.8Å; L853-Q868 HydrophobicContact CD1-CG 3.58Å; L853-Q868 HydrophobicContact CD2-CG 4.07Å; L853-Q868 HydrophobicContact CG-CG 4.49Å
854	K	96	Very high	94.9	Very high	139 Å²	139	73.9 Å²	73.9	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-72.9	-45.3	173.5	-170.9	-179.3	178.3	-176.7	0	111.1	S850 K851 D852 S857 Q858	S850-K854 PolarHBondContact O-N 2.99Å; K851-K854 WeakPolarHBondContact O-CB 3.26Å; K851-K854 PolarHBondContact O-N 3.47Å; K851-K854 VanDerWaalsContact O-N 3.14Å; D852-K854 PolarHBondContact O-N 2.81Å; K854-S857 WeakPolarHBondContact O-CB 3.4Å; K854-S857 PolarHBondContact O-N 3Å; K854-Q858 WeakPolarHBondContact O-CG 3.49Å; K854-Q858 PolarHBondContact O-N 2.83Å
855	Q	95.7	Very high	95.1	Very high	88 Å²	88	74.5 Å²	74.5	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-44.1	175.9	-64.3	-169.7	8.1	0	0	112.3	K851 D852 S857 Q858 K859	K851-Q855 PolarHBondContact O-N 3.08Å; D852-Q855 PolarHBondContact O-N 3.14Å; Q855-S857 VanDerWaalsContact C-N 3.3Å; Q855-S857 PolarHBondContact O-N 3.45Å; Q855-Q858 PolarHBondContact O-N 3.3Å; Q855-K859 WeakPolarHBondContact O-CB 3.24Å; Q855-K859 WeakPolarHBondContact O-CG 3.35Å; Q855-K859 PolarHBondContact O-N 3.43Å
856	L	96.4	Very high	95.3	Very high	4 Å²	4	75.4 Å²	75.4	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-37.1	174.9	-72.4	167.4	0	0	0	111.2	I837 Y841 P848 D852 K859 T860 L867 F871	I837-L856 HydrophobicContact CG2-CD2 4Å; Y841-L856 HydrophobicContact CD1-CD1 3.82Å; Y841-L856 HydrophobicContact CD2-CD1 4.23Å; Y841-L856 HydrophobicContact CD2-CD2 4.04Å; Y841-L856 HydrophobicContact CD2-CG 4.34Å; Y841-L856 HydrophobicContact CE1-CD1 4.16Å; Y841-L856 HydrophobicContact CG-CD1 3.9Å; Y841-L856 HydrophobicContact CG-CD2 3.89Å; Y841-L856 HydrophobicContact CG-CG 4.33Å; P848-L856 HydrophobicContact CB-CD1 4.24Å; D852-L856 WeakPolarHBondContact O-CB 3.45Å; D852-L856 WeakPolarHBondContact O-CG 3.46Å; D852-L856 PolarHBondContact O-N 2.8Å; L856-K859 PolarHBondContact O-N 2.82Å; L856-T860 WeakPolarHBondContact O-CB 3.46Å; L856-T860 WeakPolarHBondContact O-CG2 3.32Å; L856-T860 PolarHBondContact O-N 2.66Å; L856-T860 PolarHBondContact O-OG1 2.87Å; L856-L867 HydrophobicContact CB-CD1 3.71Å; L856-F871 HydrophobicContact CD1-CE2 3.9Å; L856-F871 HydrophobicContact CD1-CZ 3.94Å
857	S	97.1	Very high	95.5	Very high	33 Å²	33	72.2 Å²	72.2	23%	0.231	37%	0.372	C	S	.	.	H	α-helix	trans	-62.8	-43.3	175.4	-174	0	0	0	0	111.3	L853 K854 Q855 G861 L862 L867	L853-S857 WeakPolarHBondContact O-CB 3.41Å; L853-S857 PolarHBondContact O-N 2.8Å; K854-S857 WeakPolarHBondContact O-CB 3.4Å; K854-S857 PolarHBondContact O-N 3Å; Q855-S857 VanDerWaalsContact C-N 3.3Å; Q855-S857 PolarHBondContact O-N 3.45Å; S857-G861 WeakPolarHBondContact O-CA 3.32Å; S857-G861 PolarHBondContact O-N 2.83Å; S857-L862 VanDerWaalsContact CA-O 3.24Å; S857-L862 WeakPolarHBondContact CA-O 3.41Å; S857-L862 VanDerWaalsContact CB-O 3.27Å; S857-L862 WeakPolarHBondContact CB-O 3.11Å; S857-L862 PolarHBondContact OG-O 3.21Å; S857-L867 VanDerWaalsContact N-CD1 3.28Å
858	Q	95.5	Very high	95.5	Very high	144 Å²	144	70 Å²	70	67%	0.673	36%	0.358	S	S	*	.	H	α-helix	trans	-65.1	-47	173.4	-68.1	170	-49.8	0	0	112.3	K854 Q855 T860	K854-Q858 WeakPolarHBondContact O-CG 3.49Å; K854-Q858 PolarHBondContact O-N 2.83Å; Q855-Q858 PolarHBondContact O-N 3.3Å; Q858-T860 VanDerWaalsContact C-N 3.35Å; Q858-T860 PolarHBondContact O-N 2.97Å
859	K	95.2	Very high	95.6	Very high	140 Å²	140	72.4 Å²	72.4	61%	0.609	37%	0.372	S	S	*	.	H	α-helix	trans	-68.3	-26.7	-178.4	-74	178.5	176.6	178.2	0	114.3	I837 Q855 L856	I837-K859 WeakPolarHBondContact CD1-O 3.45Å; I837-K859 HydrophobicContact CG2-CB 4.34Å; Q855-K859 WeakPolarHBondContact O-CB 3.24Å; Q855-K859 WeakPolarHBondContact O-CG 3.35Å; Q855-K859 PolarHBondContact O-N 3.43Å; L856-K859 PolarHBondContact O-N 2.82Å
860	T	95.1	Very high	95.7	Very high	12 Å²	12	69.8 Å²	69.8	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-107.8	-17.8	-176.7	62.1	0	0	0	0	114.3	Q834 I837 M838 L856 Q858 L862	Q834-T860 WeakPolarHBondContact CG-O 3.27Å; Q834-T860 PolarHBondContact NE2-O 2.95Å; I837-T860 HydrophobicContact CB-CG2 4.05Å; I837-T860 HydrophobicContact CD1-CG2 4.36Å; I837-T860 HydrophobicContact CG2-CG2 3.76Å; M838-T860 HydrophobicContact CG-CG2 4.28Å; L856-T860 WeakPolarHBondContact O-CB 3.46Å; L856-T860 WeakPolarHBondContact O-CG2 3.32Å; L856-T860 PolarHBondContact O-N 2.66Å; L856-T860 PolarHBondContact O-OG1 2.87Å; Q858-T860 VanDerWaalsContact C-N 3.35Å; Q858-T860 PolarHBondContact O-N 2.97Å; T860-L862 PolarHBondContact O-N 3.08Å; T860-L862 WeakPolarHBondContact OG1-CB 3.39Å; T860-L862 PolarHBondContact OG1-N 2.67Å
861	G	95.5	Very high	95.9	Very high	69 Å²	69	66.9 Å²	66.9	71%	0.711	34%	0.335	S	S	*	.			trans	68.7	9.8	-168.5	0	0	0	0	0	114.2	S857	S857-G861 WeakPolarHBondContact O-CA 3.32Å; S857-G861 PolarHBondContact O-N 2.83Å
862	L	95.6	Very high	95.9	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.126	33%	0.328	C	S	.	.			trans	-91.5	146	176.1	-59.8	174.4	0	0	0	110.2	F830 Q834 M838 S857 T860 V866 L867	F830-L862 HydrophobicContact CD1-CD1 3.72Å; F830-L862 HydrophobicContact CD1-CD2 4.07Å; F830-L862 HydrophobicContact CE1-CD1 3.86Å; F830-L862 HydrophobicContact CE1-CD2 4.2Å; Q834-L862 HydrophobicContact CB-CD1 4.2Å; M838-L862 HydrophobicContact CE-CD1 3.79Å; M838-L862 HydrophobicContact SD-CD1 3.79Å; S857-L862 VanDerWaalsContact CA-O 3.24Å; S857-L862 WeakPolarHBondContact CA-O 3.41Å; S857-L862 VanDerWaalsContact CB-O 3.27Å; S857-L862 WeakPolarHBondContact CB-O 3.11Å; S857-L862 PolarHBondContact OG-O 3.21Å; T860-L862 PolarHBondContact O-N 3.08Å; T860-L862 WeakPolarHBondContact OG1-CB 3.39Å; T860-L862 PolarHBondContact OG1-N 2.67Å; L862-V866 HydrophobicContact CB-CG1 4.24Å; L862-V866 HydrophobicContact CD1-CG1 4.4Å; L862-V866 HydrophobicContact CD2-CG1 4.29Å; L862-L867 HydrophobicContact CB-CD2 4.07Å; L862-L867 HydrophobicContact CB-CG 4.08Å; L862-L867 HydrophobicContact CD1-CD2 4.01Å
863	S	96.1	Very high	96	Very high	63 Å²	63	67.8 Å²	67.8	44%	0.441	34%	0.343	S	S	.	.			trans	-70.2	152.1	177.8	75.4	0	0	0	0	112	R865 V866 L867	S863-R865 PolarHBondContact O-N 3.38Å; S863-R865 VanDerWaalsContact O-N 3.09Å; S863-V866 PolarHBondContact O-N 3.06Å; S863-V866 WeakPolarHBondContact OG-CG2 3.41Å; S863-V866 PolarHBondContact OG-N 2.97Å; S863-L867 PolarHBondContact O-N 3.28Å
864	K	95.6	Very high	96	Very high	73 Å²	73	68.3 Å²	68.3	32%	0.317	35%	0.349	S	S	.	.	H	α-helix	trans	-49.1	-38.2	176.4	175.6	162.5	-177.6	-179.5	0	112.8	S850 L853 L867 Q868	S850-K864 VanDerWaalsContact CA-NZ 3.32Å; S850-K864 PolarHBondContact OG-NZ 3.05Å; L853-K864 HydrophobicContact CB-CD 4.15Å; L853-K864 HydrophobicContact CB-CG 4.03Å; L853-K864 HydrophobicContact CD1-CG 4.3Å; K864-L867 PolarHBondContact O-N 3.4Å; K864-Q868 HydrophobicContact CG-CG 4.47Å; K864-Q868 WeakPolarHBondContact O-CB 3.18Å; K864-Q868 WeakPolarHBondContact O-CG 3.39Å; K864-Q868 PolarHBondContact O-N 3.24Å; K864-Q868 PolarHBondContact O-OE1 3.38Å
865	R	95.1	Very high	96	Very high	190 Å²	190	64.5 Å²	64.5	72%	0.717	33%	0.331	S	S	*	.	H	α-helix	trans	-67.5	-41.2	177.2	-173.6	173.9	-178.3	81.8	-4.1	113	S863 Q868 V869	S863-R865 PolarHBondContact O-N 3.38Å; S863-R865 VanDerWaalsContact O-N 3.09Å; R865-Q868 PolarHBondContact O-N 2.96Å; R865-V869 WeakPolarHBondContact O-CG2 3.38Å; R865-V869 PolarHBondContact O-N 3.3Å
866	V	95.8	Very high	95.9	Very high	50 Å²	50	61.6 Å²	61.6	30%	0.303	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-42.3	177.1	170.1	0	0	0	0	110.5	F830 L862 S863 V869 W870	F830-V866 HydrophobicContact CE1-CG1 3.6Å; F830-V866 HydrophobicContact CZ-CG1 4.06Å; L862-V866 HydrophobicContact CB-CG1 4.24Å; L862-V866 HydrophobicContact CD1-CG1 4.4Å; L862-V866 HydrophobicContact CD2-CG1 4.29Å; S863-V866 PolarHBondContact O-N 3.06Å; S863-V866 WeakPolarHBondContact OG-CG2 3.41Å; S863-V866 PolarHBondContact OG-N 2.97Å; V866-V869 PolarHBondContact O-N 3.32Å; V866-W870 PolarHBondContact O-N 2.83Å
867	L	96.7	Very high	95.6	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-47.3	174.1	-66.2	171.4	0	0	0	112	M838 L853 L856 S857 L862 S863 K864 V869 W870 F871	M838-L867 HydrophobicContact CG-CD2 3.97Å; M838-L867 HydrophobicContact SD-CD2 3.46Å; M838-L867 WeakPolarHBondContact SD-CD2 3.47Å; L853-L867 HydrophobicContact CD2-CB 3.8Å; L856-L867 HydrophobicContact CB-CD1 3.71Å; S857-L867 VanDerWaalsContact N-CD1 3.28Å; L862-L867 HydrophobicContact CB-CD2 4.07Å; L862-L867 HydrophobicContact CB-CG 4.08Å; L862-L867 HydrophobicContact CD1-CD2 4.01Å; S863-L867 PolarHBondContact O-N 3.28Å; K864-L867 PolarHBondContact O-N 3.4Å; L867-V869 VanDerWaalsContact C-N 3.29Å; L867-V869 PolarHBondContact O-N 2.85Å; L867-W870 PolarHBondContact O-N 2.94Å; L867-W870 VanDerWaalsContact O-N 3.09Å; L867-F871 WeakPolarHBondContact O-CD2 3.44Å; L867-F871 PolarHBondContact O-N 3.07Å
868	Q	95.9	Very high	95.4	Very high	72 Å²	72	70.5 Å²	70.5	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-54	-45.2	175.6	-77.3	168.7	-33.6	0	0	112.1	L853 K864 R865 Q872	L853-Q868 HydrophobicContact CD1-CG 3.58Å; L853-Q868 HydrophobicContact CD2-CG 4.07Å; L853-Q868 HydrophobicContact CG-CG 4.49Å; K864-Q868 HydrophobicContact CG-CG 4.47Å; K864-Q868 WeakPolarHBondContact O-CB 3.18Å; K864-Q868 WeakPolarHBondContact O-CG 3.39Å; K864-Q868 PolarHBondContact O-N 3.24Å; K864-Q868 PolarHBondContact O-OE1 3.38Å; R865-Q868 PolarHBondContact O-N 2.96Å; Q868-Q872 WeakPolarHBondContact O-CB 3.29Å; Q868-Q872 WeakPolarHBondContact O-CG 3.47Å; Q868-Q872 PolarHBondContact O-N 2.91Å
869	V	96	Very high	95.1	Very high	66 Å²	66	70.7 Å²	70.7	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-68.3	-38.1	177.1	172.6	0	0	0	0	111.8	R865 V866 L867 N873	R865-V869 WeakPolarHBondContact O-CG2 3.38Å; R865-V869 PolarHBondContact O-N 3.3Å; V866-V869 PolarHBondContact O-N 3.32Å; L867-V869 VanDerWaalsContact C-N 3.29Å; L867-V869 PolarHBondContact O-N 2.85Å; V869-N873 WeakPolarHBondContact CG1-ND2 3.44Å; V869-N873 WeakPolarHBondContact O-CB 3.44Å; V869-N873 PolarHBondContact O-N 3.19Å; V869-N873 PolarHBondContact O-ND2 3.48Å
870	W	96.9	Very high	94.6	Very high	38 Å²	38	72.5 Å²	72.5	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-61.7	-50.4	174.8	-171.4	98.8	0	0	0	111.3	F830 M838 K839 F842 V866 L867 Q872 N873 A874	F830-W870 AromaticContact CE2-CD1 3.72Å; F830-W870 AromaticContact CZ-CD1 3.97Å; M838-W870 HydrophobicContact CB-CD2 4.04Å; M838-W870 HydrophobicContact CB-CE3 3.92Å; M838-W870 HydrophobicContact CB-CH2 3.66Å; M838-W870 HydrophobicContact CB-CZ2 3.74Å; M838-W870 HydrophobicContact CB-CZ3 3.75Å; M838-W870 HydrophobicContact CE-CD2 4.18Å; M838-W870 HydrophobicContact CE-CG 4.05Å; M838-W870 HydrophobicContact CG-CD2 4.44Å; M838-W870 HydrophobicContact CG-CE3 4.48Å; M838-W870 HydrophobicContact SD-CB 4.14Å; M838-W870 HydrophobicContact SD-CD2 3.71Å; M838-W870 HydrophobicContact SD-CE3 4.2Å; M838-W870 HydrophobicContact SD-CG 3.65Å; K839-W870 HydrophobicContact CG-CH2 4.4Å; K839-W870 HydrophobicContact CG-CZ2 4.41Å; F842-W870 HydrophobicContact CB-CH2 4.27Å; F842-W870 HydrophobicContact CB-CZ3 4.09Å; F842-W870 HydrophobicContact CD2-CZ3 4.16Å; F842-W870 HydrophobicContact CG-CZ3 4.34Å; V866-W870 PolarHBondContact O-N 2.83Å; L867-W870 PolarHBondContact O-N 2.94Å; L867-W870 VanDerWaalsContact O-N 3.09Å; W870-Q872 PolarHBondContact O-N 3.45Å; W870-N873 PolarHBondContact O-N 2.92Å; W870-N873 VanDerWaalsContact O-N 3.17Å; W870-A874 HydrophobicContact CE3-CB 4.1Å; W870-A874 HydrophobicContact CH2-CB 4.17Å; W870-A874 HydrophobicContact CZ3-CB 3.82Å; W870-A874 WeakPolarHBondContact O-CB 3.32Å; W870-A874 PolarHBondContact O-N 2.78Å
871	F	97.4	Very high	93.7	Very high	1 Å²	1	76.1 Å²	76.1	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-65.2	-37.1	179.5	-85.7	-93.1	0	0	0	112.6	M838 Y841 F842 P848 L856 L867 A874 R875	M838-F871 HydrophobicContact CG-CE2 4.46Å; Y841-F871 AromaticContact CD1-CE1 3.8Å; Y841-F871 HydrophobicContact CD1-CE1 3.8Å; Y841-F871 AromaticContact CD1-CZ 3.67Å; Y841-F871 HydrophobicContact CD1-CZ 3.67Å; Y841-F871 HydrophobicContact CE1-CE1 4.43Å; Y841-F871 HydrophobicContact CG-CZ 4.39Å; F842-F871 HydrophobicContact CB-CE1 3.99Å; F842-F871 AromaticContact CD2-CD1 3.71Å; F842-F871 HydrophobicContact CD2-CD1 3.71Å; F842-F871 AromaticContact CD2-CE1 3.85Å; F842-F871 HydrophobicContact CD2-CE1 3.85Å; F842-F871 HydrophobicContact CE2-CD1 4.45Å; F842-F871 HydrophobicContact CG-CE1 4.43Å; P848-F871 HydrophobicContact CG-CB 4.28Å; P848-F871 HydrophobicContact CG-CD1 3.52Å; P848-F871 HydrophobicContact CG-CD2 3.98Å; P848-F871 HydrophobicContact CG-CE1 3.77Å; P848-F871 HydrophobicContact CG-CE2 4.22Å; P848-F871 HydrophobicContact CG-CG 3.65Å; P848-F871 HydrophobicContact CG-CZ 4.13Å; L856-F871 HydrophobicContact CD1-CE2 3.9Å; L856-F871 HydrophobicContact CD1-CZ 3.94Å; L867-F871 WeakPolarHBondContact O-CD2 3.44Å; L867-F871 PolarHBondContact O-N 3.07Å; F871-A874 PolarHBondContact O-N 2.89Å; F871-R875 WeakPolarHBondContact O-CG 3.44Å; F871-R875 PolarHBondContact O-N 3.32Å
872	Q	95.4	Very high	92.7	Very high	106 Å²	106	74.7 Å²	74.7	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-59.2	-45.7	171.2	-76.9	169.1	3	0	0	112	Q868 W870 A876	Q868-Q872 WeakPolarHBondContact O-CB 3.29Å; Q868-Q872 WeakPolarHBondContact O-CG 3.47Å; Q868-Q872 PolarHBondContact O-N 2.91Å; W870-Q872 PolarHBondContact O-N 3.45Å; Q872-A876 WeakPolarHBondContact O-CB 3.15Å; Q872-A876 PolarHBondContact O-N 3.02Å
873	N	96.6	Very high	91.3	Very high	103 Å²	103	78.8 Å²	78.8	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-68.2	-39.1	178.1	-74.8	-50.5	0	0	0	112.5	V869 W870 A876 K877	V869-N873 WeakPolarHBondContact CG1-ND2 3.44Å; V869-N873 WeakPolarHBondContact O-CB 3.44Å; V869-N873 PolarHBondContact O-N 3.19Å; V869-N873 PolarHBondContact O-ND2 3.48Å; W870-N873 PolarHBondContact O-N 2.92Å; W870-N873 VanDerWaalsContact O-N 3.17Å; N873-A876 PolarHBondContact O-N 3.3Å; N873-K877 PolarHBondContact O-N 3.24Å
874	A	95.8	Very high	89.8	Confident	20 Å²	20	81 Å²	81	17%	0.165	38%	0.379	C	S	.	.	H	α-helix	trans	-61.5	-47.8	175.5	0	0	0	0	0	111.3	F842 W870 F871 A876 K877 F878	F842-A874 HydrophobicContact CD2-CB 3.7Å; F842-A874 HydrophobicContact CE1-CB 4.39Å; F842-A874 HydrophobicContact CE2-CB 3.35Å; F842-A874 HydrophobicContact CG-CB 4.36Å; F842-A874 HydrophobicContact CZ-CB 3.74Å; W870-A874 HydrophobicContact CE3-CB 4.1Å; W870-A874 HydrophobicContact CH2-CB 4.17Å; W870-A874 HydrophobicContact CZ3-CB 3.82Å; W870-A874 WeakPolarHBondContact O-CB 3.32Å; W870-A874 PolarHBondContact O-N 2.78Å; F871-A874 PolarHBondContact O-N 2.89Å; A874-A876 VanDerWaalsContact C-N 3.29Å; A874-A876 PolarHBondContact O-N 3.38Å; A874-K877 PolarHBondContact O-N 2.83Å; A874-K877 VanDerWaalsContact O-N 3.11Å; A874-F878 PolarHBondContact O-N 3.3Å
875	R	96.1	Very high	88.1	Confident	59 Å²	59	82.5 Å²	82.5	22%	0.223	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-38.2	172.4	-70.1	-166.1	-63.2	-91.5	8.4	113	F842 H846 N847 F871 K877 R879	F842-R875 HydrophobicContact CE2-CG 3.8Å; F842-R875 HydrophobicContact CZ-CG 4.22Å; H846-R875 HydrophobicContact CB-CG 4.18Å; H846-R875 VanDerWaalsContact O-CD 3.28Å; H846-R875 WeakPolarHBondContact O-CD 3.35Å; H846-R875 PolarHBondContact O-NH1 3.39Å; N847-R875 WeakPolarHBondContact OD1-CD 3.34Å; F871-R875 WeakPolarHBondContact O-CG 3.44Å; F871-R875 PolarHBondContact O-N 3.32Å; R875-K877 VanDerWaalsContact C-N 3.35Å; R875-R879 PolarHBondContact O-N 3.48Å; R875-R879 PolarHBondContact O-NH1 3.03Å
876	A	93.1	Very high	86.6	Confident	27 Å²	27	77.7 Å²	77.7	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-70.6	-27.4	177	0	0	0	0	0	113.4	Q872 N873 A874 R880	Q872-A876 WeakPolarHBondContact O-CB 3.15Å; Q872-A876 PolarHBondContact O-N 3.02Å; N873-A876 PolarHBondContact O-N 3.3Å; A874-A876 VanDerWaalsContact C-N 3.29Å; A874-A876 PolarHBondContact O-N 3.38Å; A876-R880 WeakPolarHBondContact O-CD 3.42Å; A876-R880 WeakPolarHBondContact O-CG 3.43Å
877	K	91.6	Very high	84.6	Confident	126 Å²	126	83.1 Å²	83.1	55%	0.548	39%	0.391	S	S	.	.	H	α-helix	trans	-74.8	-47.2	170.2	-168.9	-179.8	179.9	-175.6	0	110.8	N873 A874 R875 R879 R880 N881	N873-K877 PolarHBondContact O-N 3.24Å; A874-K877 PolarHBondContact O-N 2.83Å; A874-K877 VanDerWaalsContact O-N 3.11Å; R875-K877 VanDerWaalsContact C-N 3.35Å; K877-R879 PolarHBondContact O-N 3.42Å; K877-R880 WeakPolarHBondContact O-CB 3.45Å; K877-R880 PolarHBondContact O-N 2.66Å; K877-N881 PolarHBondContact O-N 3Å
878	F	91.7	Very high	83.1	Confident	97 Å²	97	86.3 Å²	86.3	43%	0.425	41%	0.411	S	S	.	.	H	α-helix	trans	-52.2	-52.6	179.5	-175.2	-100.3	0	0	0	112.3	F842 H846 A874 R880 N881 T882	F842-F878 HydrophobicContact CE1-CB 4.43Å; F842-F878 HydrophobicContact CE1-CD2 4.49Å; F842-F878 HydrophobicContact CZ-CB 4.21Å; H846-F878 AromaticContact CE1-CE1 3.96Å; H846-F878 AromaticContact CE1-CZ 3.84Å; A874-F878 PolarHBondContact O-N 3.3Å; F878-R880 PolarHBondContact O-N 3.2Å; F878-R880 VanDerWaalsContact O-N 3.09Å; F878-N881 PolarHBondContact O-N 2.99Å; F878-T882 HydrophobicContact CD1-CG2 4.43Å; F878-T882 HydrophobicContact CE1-CG2 4.07Å; F878-T882 HydrophobicContact CZ-CG2 4.23Å; F878-T882 PolarHBondContact O-N 3.37Å
879	R	89.2	Confident	81.3	Confident	149 Å²	149	86.2 Å²	86.2	56%	0.562	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-16	178.1	-66	-164.9	-55.5	-85.3	3.5	115.3	R875 K877 T882 N883	R875-R879 PolarHBondContact O-N 3.48Å; R875-R879 PolarHBondContact O-NH1 3.03Å; K877-R879 PolarHBondContact O-N 3.42Å; R879-T882 WeakPolarHBondContact CA-OG1 3.43Å; R879-T882 PolarHBondContact O-OG1 3.47Å; R879-N883 PolarHBondContact O-OD1 3.33Å
880	R	84.4	Confident	79.8	Confident	178 Å²	178	91.1 Å²	91.1	67%	0.672	42%	0.424	S	S	*	.	H	α-helix	trans	-85.2	-35	174.1	-70.5	171.4	179	163.2	1.2	111.5	A876 K877 F878 N884	A876-R880 WeakPolarHBondContact O-CD 3.42Å; A876-R880 WeakPolarHBondContact O-CG 3.43Å; K877-R880 WeakPolarHBondContact O-CB 3.45Å; K877-R880 PolarHBondContact O-N 2.66Å; F878-R880 PolarHBondContact O-N 3.2Å; F878-R880 VanDerWaalsContact O-N 3.09Å; R880-N884 VanDerWaalsContact O-CG 3.3Å; R880-N884 PolarHBondContact O-N 2.86Å; R880-N884 PolarHBondContact O-ND2 3.5Å
881	N	78.1	Confident	78.2	Confident	87 Å²	87	93.2 Å²	93.2	47%	0.465	44%	0.438	S	S	.	.	H	α-helix	trans	-67.1	-46.3	176.1	-78.6	40.1	0	0	0	111.1	K877 F878 N883 N884 Q885	K877-N881 PolarHBondContact O-N 3Å; F878-N881 PolarHBondContact O-N 2.99Å; N881-N883 PolarHBondContact O-N 3.4Å; N881-N884 PolarHBondContact O-N 2.97Å; N881-N884 VanDerWaalsContact O-N 3.16Å; N881-Q885 PolarHBondContact O-N 3.24Å
882	T	74.2	Confident	76.5	Confident	40 Å²	40	97.7 Å²	97.7	25%	0.245	46%	0.457	C	S	.	.	H	α-helix	trans	-59.2	-43.1	179.2	54.4	0	0	0	0	112.6	F878 R879 N884 Q885 I886	F878-T882 HydrophobicContact CD1-CG2 4.43Å; F878-T882 HydrophobicContact CE1-CG2 4.07Å; F878-T882 HydrophobicContact CZ-CG2 4.23Å; F878-T882 PolarHBondContact O-N 3.37Å; R879-T882 WeakPolarHBondContact CA-OG1 3.43Å; R879-T882 PolarHBondContact O-OG1 3.47Å; T882-N884 VanDerWaalsContact C-N 3.32Å; T882-N884 PolarHBondContact O-N 3Å; T882-Q885 PolarHBondContact O-N 3.11Å; T882-I886 WeakPolarHBondContact O-CG1 3.44Å; T882-I886 PolarHBondContact O-N 3.4Å
883	N	65.7	Low	74.8	Confident	109 Å²	109	98.5 Å²	98.5	58%	0.583	46%	0.461	S	S	*	.	H	α-helix	trans	-66.9	-33.1	178.7	-75	27.9	0	0	0	112.6	R879 N881 Y887	R879-N883 PolarHBondContact O-OD1 3.33Å; N881-N883 PolarHBondContact O-N 3.4Å; N883-Y887 PolarHBondContact O-N 2.89Å
884	N	64.3	Low	73.1	Confident	110 Å²	110	100.7 Å²	100.7	59%	0.588	47%	0.466	S	S	*	.	H	α-helix	trans	-69.8	-39.2	175.1	-70.8	-14.2	0	0	0	111.9	R880 N881 T882 Y887 T888	R880-N884 VanDerWaalsContact O-CG 3.3Å; R880-N884 PolarHBondContact O-N 2.86Å; R880-N884 PolarHBondContact O-ND2 3.5Å; N881-N884 PolarHBondContact O-N 2.97Å; N881-N884 VanDerWaalsContact O-N 3.16Å; T882-N884 VanDerWaalsContact C-N 3.32Å; T882-N884 PolarHBondContact O-N 3Å; N884-Y887 WeakPolarHBondContact O-CB 3.24Å; N884-Y887 PolarHBondContact O-N 3.37Å; N884-T888 PolarHBondContact O-N 3.3Å; N884-T888 PolarHBondContact O-OG1 3.37Å
885	Q	60.5	Low	71	Confident	104 Å²	104	106 Å²	106	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-60.2	-48.5	176.2	-75.1	168.8	-41.5	0	0	111.4	N881 T882 Y887 T888 D889	N881-Q885 PolarHBondContact O-N 3.24Å; T882-Q885 PolarHBondContact O-N 3.11Å; Q885-Y887 PolarHBondContact O-N 2.84Å; Q885-T888 WeakPolarHBondContact CA-OG1 3.15Å; Q885-T888 PolarHBondContact O-N 3.02Å; Q885-T888 PolarHBondContact O-OG1 2.8Å; Q885-D889 PolarHBondContact O-N 3.25Å
886	I	64	Low	69.2	Low	89 Å²	89	108 Å²	108	46%	0.456	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-35.5	176.2	-64.2	165.8	0	0	0	111.7	T882 R890	T882-I886 WeakPolarHBondContact O-CG1 3.44Å; T882-I886 PolarHBondContact O-N 3.4Å; I886-R890 WeakPolarHBondContact O-CB 3.45Å; I886-R890 VanDerWaalsContact O-CG 3.27Å; I886-R890 WeakPolarHBondContact O-CG 3.29Å; I886-R890 PolarHBondContact O-N 3.2Å
887	Y	53.8	Low	67.2	Low	164 Å²	164	111.3 Å²	111.3	64%	0.643	52%	0.515	S	S	*	.	H	α-helix	trans	-70	-43.6	175.4	-169.3	-96.1	0	0	0	112.2	N883 N884 Q885 D889 L891	N883-Y887 PolarHBondContact O-N 2.89Å; N884-Y887 WeakPolarHBondContact O-CB 3.24Å; N884-Y887 PolarHBondContact O-N 3.37Å; Q885-Y887 PolarHBondContact O-N 2.84Å; Y887-D889 PolarHBondContact O-N 3.05Å; Y887-L891 HydrophobicContact CD1-CD1 3.99Å; Y887-L891 HydrophobicContact CE1-CD1 3.65Å; Y887-L891 HydrophobicContact CE1-CG 4.38Å; Y887-L891 WeakPolarHBondContact O-CG 3.16Å; Y887-L891 PolarHBondContact O-N 2.83Å
888	T	63.4	Low	65.4	Low	67 Å²	67	108.9 Å²	108.9	41%	0.411	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-36.7	177.5	47.5	0	0	0	0	113.2	N884 Q885 L891 K892	N884-T888 PolarHBondContact O-N 3.3Å; N884-T888 PolarHBondContact O-OG1 3.37Å; Q885-T888 WeakPolarHBondContact CA-OG1 3.15Å; Q885-T888 PolarHBondContact O-N 3.02Å; Q885-T888 PolarHBondContact O-OG1 2.8Å; T888-L891 PolarHBondContact O-N 3.37Å; T888-K892 PolarHBondContact O-N 3.44Å
889	D	59.6	Low	63.5	Low	71 Å²	71	110.5 Å²	110.5	38%	0.38	53%	0.526	S	S	.	.	H	α-helix	trans	-78.6	-31.9	-177.4	-62.1	-37.8	0	0	0	112.4	Q885 Y887 L891 K892 Q893	Q885-D889 PolarHBondContact O-N 3.25Å; Y887-D889 PolarHBondContact O-N 3.05Å; D889-L891 VanDerWaalsContact C-N 3.25Å; D889-L891 PolarHBondContact O-N 3.48Å; D889-K892 PolarHBondContact O-N 2.78Å; D889-K892 WeakPolarHBondContact OD1-CE 3.18Å; D889-K892 IonicContact OD1-NZ 3.76Å; D889-K892 PolarHBondContact OD1-NZ 2.82Å; D889-Q893 WeakPolarHBondContact O-CG 3.48Å; D889-Q893 PolarHBondContact O-N 2.98Å
890	R	63.3	Low	61.4	Low	169 Å²	169	109.1 Å²	109.1	64%	0.638	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-25.4	168.9	-74.1	178.8	-171.9	-122.2	4.8	113.3	I886 K894	I886-R890 WeakPolarHBondContact O-CB 3.45Å; I886-R890 VanDerWaalsContact O-CG 3.27Å; I886-R890 WeakPolarHBondContact O-CG 3.29Å; I886-R890 PolarHBondContact O-N 3.2Å; R890-K894 WeakPolarHBondContact O-CG 3.5Å; R890-K894 PolarHBondContact O-N 3.28Å
891	L	64.6	Low	59.5	Low	82 Å²	82	107.9 Å²	107.9	43%	0.429	53%	0.531	S	S	.	.	H	α-helix	trans	-72.7	-49.8	171.8	-72.8	171.8	0	0	0	111	Y887 T888 D889 Q893 K894 E895	Y887-L891 HydrophobicContact CD1-CD1 3.99Å; Y887-L891 HydrophobicContact CE1-CD1 3.65Å; Y887-L891 HydrophobicContact CE1-CG 4.38Å; Y887-L891 WeakPolarHBondContact O-CG 3.16Å; Y887-L891 PolarHBondContact O-N 2.83Å; T888-L891 PolarHBondContact O-N 3.37Å; D889-L891 VanDerWaalsContact C-N 3.25Å; D889-L891 PolarHBondContact O-N 3.48Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 2.79Å; L891-K894 WeakPolarHBondContact O-CB 3.49Å; L891-K894 PolarHBondContact O-N 3.34Å; L891-E895 PolarHBondContact O-N 3.45Å
892	K	61.9	Low	57.5	Low	94 Å²	94	113.6 Å²	113.6	41%	0.409	55%	0.548	S	S	.	.	H	α-helix	trans	-54	-43.7	175.8	-63.4	169.9	-168	162.6	0	112.3	T888 D889 K894 E895 I896	T888-K892 PolarHBondContact O-N 3.44Å; D889-K892 PolarHBondContact O-N 2.78Å; D889-K892 WeakPolarHBondContact OD1-CE 3.18Å; D889-K892 IonicContact OD1-NZ 3.76Å; D889-K892 PolarHBondContact OD1-NZ 2.82Å; K892-K894 VanDerWaalsContact C-N 3.31Å; K892-K894 PolarHBondContact O-N 3.01Å; K892-E895 PolarHBondContact O-N 3.02Å; K892-I896 WeakPolarHBondContact O-CG1 3.45Å; K892-I896 PolarHBondContact O-N 2.87Å
893	Q	59.6	Low	55.5	Low	124 Å²	124	116.8 Å²	116.8	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-63.7	-33.3	177.3	-74.7	-179.5	-13.4	0	0	113	D889 L891 N897	D889-Q893 WeakPolarHBondContact O-CG 3.48Å; D889-Q893 PolarHBondContact O-N 2.98Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 2.79Å; Q893-N897 WeakPolarHBondContact O-CB 3.45Å; Q893-N897 PolarHBondContact O-N 3.18Å; Q893-N897 VanDerWaalsContact O-N 3.08Å
894	K	59.8	Low	54.2	Low	149 Å²	149	117.7 Å²	117.7	65%	0.648	58%	0.582	S	S	*	*	H	α-helix	trans	-71.9	-37.7	174.6	-78.5	-174.2	173.4	-169.5	0	112.4	R890 L891 K892 S898	R890-K894 WeakPolarHBondContact O-CG 3.5Å; R890-K894 PolarHBondContact O-N 3.28Å; L891-K894 WeakPolarHBondContact O-CB 3.49Å; L891-K894 PolarHBondContact O-N 3.34Å; K892-K894 VanDerWaalsContact C-N 3.31Å; K892-K894 PolarHBondContact O-N 3.01Å; K894-S898 WeakPolarHBondContact O-CB 3.35Å; K894-S898 PolarHBondContact O-N 3.29Å; K894-S898 PolarHBondContact O-OG 2.64Å
895	E	52.8	Low	52.8	Low	130 Å²	130	118 Å²	118	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-63.6	-45.3	175.1	-67.7	175.7	144.5	0	0	111.2	L891 K892 S898 I899	L891-E895 PolarHBondContact O-N 3.45Å; K892-E895 PolarHBondContact O-N 3.02Å; E895-S898 PolarHBondContact O-N 2.98Å; E895-I899 PolarHBondContact O-N 2.61Å
896	I	58.1	Low	51.8	Low	101 Å²	101	118.5 Å²	118.5	52%	0.518	61%	0.607	S	S	.	*	H	α-helix	trans	-62.1	-46.4	176.7	-66	165.7	0	0	0	111.5	K892 S898 I899	K892-I896 WeakPolarHBondContact O-CG1 3.45Å; K892-I896 PolarHBondContact O-N 2.87Å; I896-S898 VanDerWaalsContact C-N 3.29Å; I896-S898 PolarHBondContact O-N 3.33Å; I896-I899 PolarHBondContact O-N 3.17Å
897	N	51.1	Low	50.7	Low	98 Å²	98	120.4 Å²	120.4	52%	0.524	63%	0.625	S	S	.	*	H	α-helix	trans	-70	-23.9	179.8	-73.8	-3.1	0	0	0	113.5	Q893 I899 Q901	Q893-N897 WeakPolarHBondContact O-CB 3.45Å; Q893-N897 PolarHBondContact O-N 3.18Å; Q893-N897 VanDerWaalsContact O-N 3.08Å; N897-I899 VanDerWaalsContact C-N 3.31Å; N897-Q901 WeakPolarHBondContact O-CG 3.49Å
898	S	54.2	Low	50	Low	75 Å²	75	120.3 Å²	120.3	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-76.7	-18	177.1	-56.9	0	0	0	0	113.3	K894 E895 I896	K894-S898 WeakPolarHBondContact O-CB 3.35Å; K894-S898 PolarHBondContact O-N 3.29Å; K894-S898 PolarHBondContact O-OG 2.64Å; E895-S898 PolarHBondContact O-N 2.98Å; I896-S898 VanDerWaalsContact C-N 3.29Å; I896-S898 PolarHBondContact O-N 3.33Å
899	I	50.8	Low	49.2	Very low	130 Å²	130	122.4 Å²	122.4	67%	0.667	65%	0.65	S	S	*	*	H	α-helix	trans	-87.8	-28.9	178	-68.1	169.2	0	0	0	111.3	E895 I896 N897	E895-I899 PolarHBondContact O-N 2.61Å; I896-I899 PolarHBondContact O-N 3.17Å; N897-I899 VanDerWaalsContact C-N 3.31Å
900	N	44.9	Very low	48.7	Very low	120 Å²	120	124.8 Å²	124.8	64%	0.642	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	10.6	-175.5	-71.5	-16.2	0	0	0	115.1
901	Q	44.1	Very low	47.4	Very low	153 Å²	153	122.7 Å²	122.7	72%	0.715	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	9.1	-177.9	-76.5	-176.1	-8.6	0	0	115.3	N897	N897-Q901 WeakPolarHBondContact O-CG 3.49Å
902	Y	37.2	Very low	46.1	Very low	206 Å²	206	127.2 Å²	127.2	81%	0.808	70%	0.7	S	S	*	*	S	Bend	trans	-117.3	44.3	178.9	-66.3	-77.7	0	0	0	113
903	S	32.6	Very low	44.6	Very low	108 Å²	108	127.8 Å²	127.8	76%	0.755	72%	0.716	S	S	*	*			trans	-153.5	40.3	-176.3	-70.6	0	0	0	0	116.3
904	T	37.8	Very low	43.4	Very low	128 Å²	128	128.3 Å²	128.3	79%	0.785	73%	0.728	S	S	*	*			trans	-141	105.1	170.2	49	0	0	0	0	113.9
905	S	35.7	Very low	42.1	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	73%	0.73	S	S	*	*			trans	35	120.2	146.5	59.5	0	0	0	0	121.4
906	S	37.9	Very low	41	Very low	115 Å²	115	125.2 Å²	125.2	80%	0.804	74%	0.735	S	S	*	*			trans	-148.4	155.9	145.7	-79.1	0	0	0	0	110.2
907	P	41.7	Very low	39.6	Very low	129 Å²	129	125.9 Å²	125.9	84%	0.838	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-84.6	156	-154.7	-13.9	31.7	0	0	0	116
908	L	39	Very low	38.7	Very low	163 Å²	163	128.9 Å²	128.9	85%	0.853	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-87.2	149.5	175.4	-68.7	94.9	0	0	0	113.1
909	P	46.8	Very low	37.6	Very low	111 Å²	111	131.7 Å²	131.7	72%	0.721	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75.9	161.3	161.2	33.9	-34.6	0	0	0	112.1
910	P	48.7	Very low	36.6	Very low	121 Å²	121	132.1 Å²	132.1	79%	0.786	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-78.2	155.4	-173.2	31.8	-36.4	0	0	0	114.1
911	P	36.3	Very low	35.9	Very low	125 Å²	125	132.8 Å²	132.8	81%	0.812	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-87.3	151.5	-176.4	35	-35.5	0	0	0	113.7
912	I	36.5	Very low	35.3	Very low	177 Å²	177	131.9 Å²	131.9	91%	0.908	77%	0.769	S	S	*	*			trans	-111.7	134.7	157.8	-65.2	179.3	0	0	0	107.9
913	S	31.9	Very low	34.9	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	76%	0.764	S	S	*	*			trans	-104.8	132.2	-164.1	55.6	0	0	0	0	114.1
914	T	32.9	Very low	34.8	Very low	134 Å²	134	128.5 Å²	128.5	82%	0.822	76%	0.763	S	S	*	*			trans	-154.4	132.5	142.1	11.8	0	0	0	0	111.8
915	S	32.1	Very low	34.5	Very low	99 Å²	99	128.5 Å²	128.5	69%	0.692	76%	0.758	S	S	*	*			trans	7.1	141.8	146.4	53.7	0	0	0	0	120.4
916	T	30	Very low	34.1	Very low	116 Å²	116	130.3 Å²	130.3	71%	0.712	76%	0.757	S	S	*	*			cis	-174	133.9	4.4	-101.6	0	0	0	0	110.9
917	T	30.3	Very low	33.7	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	76%	0.758	S	S	*	*			trans	56.2	154.8	162.9	54.2	0	0	0	0	120
918	Q	31.3	Very low	33.1	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.752	76%	0.761	S	S	*	*			cis	-165.1	159.1	-26	-114.4	174.2	2.7	0	0	108.2
919	N	30.2	Very low	32.6	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	76%	0.759	S	S	*	*			trans	65.3	126.1	174.6	-57.4	-37.4	0	0	0	116.5
920	I	29.8	Very low	31.8	Very low	139 Å²	139	136 Å²	136	71%	0.713	77%	0.766	S	S	*	*			cis	87.2	134.1	23.8	-51.7	170.1	0	0	0	114.3
921	N	31.2	Very low	30.9	Very low	134 Å²	134	135.9 Å²	135.9	72%	0.717	76%	0.758	S	S	*	*			trans	76.8	144.8	175.4	-66.3	-24.2	0	0	0	118
922	N	32.1	Very low	30.5	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	76%	0.757	S	S	*	*			cis	-172	146.1	-31.7	-114.3	-6.2	0	0	0	108.9
923	N	28.7	Very low	30.1	Very low	131 Å²	131	136 Å²	136	70%	0.701	75%	0.745	S	S	*	*			trans	-156.7	81.6	159.8	-166.4	1.8	0	0	0	112.9	N925	N923-N925 PolarHBondContact OD1-ND2 2.94Å
924	P	30.4	Very low	29.8	Very low	113 Å²	113	136.5 Å²	136.5	73%	0.734	75%	0.748	S	S	*	*			trans	-81.9	118.3	168	32.2	-29.5	0	0	0	109.7
925	N	30.9	Very low	29.4	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	75%	0.747	S	S	*	*			trans	-144	145	-180	-116.3	-57.6	0	0	0	112.3	N923	N923-N925 PolarHBondContact OD1-ND2 2.94Å
926	I	28.2	Very low	29.3	Very low	153 Å²	153	136.2 Å²	136.2	79%	0.785	74%	0.735	S	S	*	*			trans	63.8	92.4	172.2	-47.5	165.2	0	0	0	115.3
927	I	28.7	Very low	29.1	Very low	160 Å²	160	139.9 Å²	139.9	82%	0.821	74%	0.744	S	S	*	*				-159.7	111.2	112.8	-91.4	150.2	0	0	0	106.3
928	N	29.2	Very low	29.1	Very low	167 Å²	167	142.9 Å²	142.9	89%	0.893	74%	0.744	S	S	*	*			trans	-82.3	137	-179.5	-99.6	-23.8	0	0	0	111.1
929	K	28.7	Very low	28.9	Very low	185 Å²	185	139.5 Å²	139.5	80%	0.804	73%	0.731	S	S	*	*			trans	-78.2	122.1	176.4	-64.8	172.6	-179.5	173.7	0	110.5	L931	K929-L931 HydrophobicContact CG-CD1 4.39Å
930	S	29.4	Very low	28.9	Very low	125 Å²	125	139.8 Å²	139.8	87%	0.874	72%	0.723	S	S	*	*			trans	-118.8	62.2	157.2	49.1	0	0	0	0	109.7
931	L	29.4	Very low	28.9	Very low	118 Å²	118	138.8 Å²	138.8	62%	0.618	71%	0.714	S	S	*	*			trans	-89.9	153.1	176.3	-74.9	164	0	0	0	111.1	K929	K929-L931 HydrophobicContact CG-CD1 4.39Å
932	Y	28.4	Very low	28.9	Very low	202 Å²	202	139.2 Å²	139.2	79%	0.792	72%	0.716	S	S	*	*			trans	78	159.4	167.3	-61.8	-65.1	0	0	0	117.1
933	P	28.1	Very low	29	Very low	102 Å²	102	140.9 Å²	140.9	66%	0.662	72%	0.72	S	S	*	*				-143.1	109.4	-77.9	34.7	-13.1	0	0	0	114.4	L935	P933-L935 PolarHBondContact O-N 3.12Å
934	C	26	Very low	29.4	Very low	117 Å²	117	141.2 Å²	141.2	79%	0.791	72%	0.717	S	S	*	*			trans	-82.1	79.2	174.2	-162.8	0	0	0	0	112.7
935	L	25.1	Very low	29.4	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	71%	0.711	S	S	*	*			trans	-80.6	109.9	157.8	-85	167.6	0	0	0	108.6	P933	P933-L935 PolarHBondContact O-N 3.12Å
936	T	28.8	Very low	29.4	Very low	73 Å²	73	144.5 Å²	144.5	45%	0.448	72%	0.72	S	S	.	*			trans	-134.9	115.9	173.6	37	0	0	0	0	110.7	Y938	T936-Y938 VanDerWaalsContact CB-CE2 3.41Å; T936-Y938 HydrophobicContact CG2-CE2 4.18Å; T936-Y938 PolarHBondContact O-N 3.25Å; T936-Y938 WeakPolarHBondContact OG1-CE2 3.38Å
937	E	26	Very low	29.4	Very low	192 Å²	192	140.6 Å²	140.6	90%	0.897	70%	0.701	S	S	*	*			trans	-83.5	74.5	-174.8	-171.2	164.8	-146.7	0	0	111.4	D939	E937-D939 PolarHBondContact O-N 3.1Å; E937-D939 VanDerWaalsContact O-N 3.17Å
938	Y	29.9	Very low	29.4	Very low	179 Å²	179	137.3 Å²	137.3	70%	0.702	69%	0.685	S	S	*	*			trans	-74.9	106.5	-177.3	-74	-63.2	0	0	0	113.1	T936 Y940	T936-Y938 VanDerWaalsContact CB-CE2 3.41Å; T936-Y938 HydrophobicContact CG2-CE2 4.18Å; T936-Y938 PolarHBondContact O-N 3.25Å; T936-Y938 WeakPolarHBondContact OG1-CE2 3.38Å; Y938-Y940 PolarHBondContact O-N 2.89Å
939	D	27.1	Very low	29.4	Very low	90 Å²	90	138.7 Å²	138.7	48%	0.481	68%	0.683	S	S	.	*			trans	-63.3	101.8	172.7	179.5	19.1	0	0	0	111.3	K839 E937 K941	K839-D939 IonicContact NZ-OD1 2.75Å; K839-D939 PolarHBondContact NZ-OD1 2.85Å; K839-D939 IonicContact NZ-OD2 3.71Å; E937-D939 PolarHBondContact O-N 3.1Å; E937-D939 VanDerWaalsContact O-N 3.17Å; D939-K941 VanDerWaalsContact C-N 3.27Å; D939-K941 PolarHBondContact O-N 2.9Å; D939-K941 WeakPolarHBondContact OD2-CD 3.4Å; D939-K941 WeakPolarHBondContact OD2-CE 3.46Å; D939-K941 IonicContact OD2-NZ 2.62Å; D939-K941 PolarHBondContact OD2-NZ 3.37Å
940	Y	31.3	Very low	29.2	Very low	138 Å²	138	138.5 Å²	138.5	54%	0.541	68%	0.678	S	S	.	*			trans	-63.9	85	171.1	-92.9	-101.6	0	0	0	111.2	Y938	Y938-Y940 PolarHBondContact O-N 2.89Å
941	K	29.8	Very low	29.1	Very low	119 Å²	119	140.2 Å²	140.2	52%	0.517	68%	0.676	S	S	.	*			trans	-110.4	94.5	159.1	-72.8	167	177.9	141.5	0	107.6	D939	D939-K941 VanDerWaalsContact C-N 3.27Å; D939-K941 PolarHBondContact O-N 2.9Å; D939-K941 WeakPolarHBondContact OD2-CD 3.4Å; D939-K941 WeakPolarHBondContact OD2-CE 3.46Å; D939-K941 IonicContact OD2-NZ 2.62Å; D939-K941 PolarHBondContact OD2-NZ 3.37Å
942	D	30.9	Very low	29	Very low	142 Å²	142	142.6 Å²	142.6	76%	0.759	68%	0.681	S	S	*	*			trans	148.6	92.6	146.6	-73.8	-8.4	0	0	0	111.9
943	E	34.2	Very low	28.8	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.794	68%	0.677	S	S	*	*			trans	-128	90.5	162.5	-79.1	-170.4	159.8	0	0	109.1	K945	E943-K945 PolarHBondContact O-N 3.33Å
944	E	36.1	Very low	28.7	Very low	137 Å²	137	139.7 Å²	139.7	64%	0.64	68%	0.68	S	S	*	*			trans	-78.4	111.5	162.4	-86.9	-107.5	104.1	0	0	109.8
945	K	31.4	Very low	28.7	Very low	142 Å²	142	140.5 Å²	140.5	62%	0.617	68%	0.677	S	S	*	*			trans	47.8	90.2	148.4	-50.4	-177.6	-166.6	96.1	0	118.1	E943	E943-K945 PolarHBondContact O-N 3.33Å
946	I	31.2	Very low	28.7	Very low	169 Å²	169	137.1 Å²	137.1	87%	0.867	67%	0.666	S	S	*	*			trans	-125.3	124.9	137.9	-58	-178.4	0	0	0	107.2
947	D	28.5	Very low	28.5	Very low	71 Å²	71	139.5 Å²	139.5	38%	0.38	68%	0.676	S	S	.	*			trans	-104.9	141.4	-173.7	-94.8	-37.2	0	0	0	112.6	R827	R827-D947 IonicContact NH1-OD1 3.98Å
948	N	28.4	Very low	28.6	Very low	91 Å²	91	139.8 Å²	139.8	49%	0.487	67%	0.671	S	S	.	*			trans	69.8	139.8	-179.1	-62.9	2.2	0	0	0	114	K824	K824-N948 VanDerWaalsContact CE-ND2 3.3Å; K824-N948 WeakPolarHBondContact CE-ND2 3.46Å
949	F	29.1	Very low	28.4	Very low	195 Å²	195	136.4 Å²	136.4	86%	0.855	67%	0.665	S	S	*	*			cis	-122.7	169.2	37.1	-94.5	-101.3	0	0	0	117
950	Y	24.6	Very low	28.3	Very low	181 Å²	181	139.2 Å²	139.2	71%	0.71	68%	0.675	S	S	*	*			trans	-62.7	153.9	165.5	-90.2	-128	0	0	0	110
951	I	27.9	Very low	28.1	Very low	162 Å²	162	143.6 Å²	143.6	83%	0.831	69%	0.692	S	S	*	*				-156.3	151.6	78.7	-90.1	165.6	0	0	0	112.1
952	K	26.4	Very low	27.8	Very low	167 Å²	167	144.4 Å²	144.4	73%	0.726	70%	0.701	S	S	*	*			trans	-61.8	140.8	172.6	-80.5	179.3	175.2	179.9	0	111.4
953	S	24.9	Very low	27.6	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	71%	0.706	S	S	*	*				57.7	137.8	96.4	-37.1	0	0	0	0	114.4
954	I	25.9	Very low	27	Very low	142 Å²	142	142 Å²	142	73%	0.728	70%	0.697	S	S	*	*			cis	-162.1	151	13	-128.3	160.2	0	0	0	109.4
955	N	24.9	Very low	26.6	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	71%	0.707	S	S	*	*			trans	49.3	153.2	158	-60.7	19.8	0	0	0	119.4
956	S	25.2	Very low	26.2	Very low	84 Å²	84	141.6 Å²	141.6	59%	0.587	72%	0.715	S	S	*	*			cis	70.9	137.5	36.6	103.8	0	0	0	0	112.6
957	D	25.5	Very low	26.1	Very low	123 Å²	123	141.4 Å²	141.4	66%	0.658	72%	0.716	S	S	*	*			cis	-160.7	165.5	24.9	-108	-49.5	0	0	0	113.8
958	Y	26.8	Very low	25.9	Very low	199 Å²	199	142.3 Å²	142.3	78%	0.78	73%	0.728	S	S	*	*			trans	68.3	163.9	151.1	-80.3	-138.8	0	0	0	120.5
959	N	26.3	Very low	25.9	Very low	108 Å²	108	144.5 Å²	144.5	58%	0.578	74%	0.739	S	S	*	*			cis	-168.6	159	-43.7	-117.1	-39.4	0	0	0	111.9
960	H	25.7	Very low	26	Very low	149 Å²	149	142 Å²	142	69%	0.69	74%	0.735	S	S	*	*			trans	63.8	149.8	168.7	-63	-32.2	0	0	0	116.8
961	Y	26.6	Very low	26.2	Very low	229 Å²	229	142 Å²	142	90%	0.898	74%	0.741	S	S	*	*			cis	-118.6	169.9	38.8	-88.3	-100.2	0	0	0	116.6
962	L	23.9	Very low	26.3	Very low	136 Å²	136	138.4 Å²	138.4	71%	0.712	73%	0.731	S	S	*	*			trans	-85.6	157.3	168.3	-62.2	84.3	0	0	0	111.1
963	N	25.5	Very low	26.4	Very low	160 Å²	160	137.6 Å²	137.6	86%	0.856	73%	0.733	S	S	*	*				-148.1	159.2	115.2	-148.2	-3.6	0	0	0	111.3
964	V	23.3	Very low	26.7	Very low	102 Å²	102	139.6 Å²	139.6	62%	0.618	73%	0.734	S	S	*	*			trans	-119.3	133.6	179.5	174.4	0	0	0	0	109.2	L966	V964-L966 HydrophobicContact CG1-CD1 4.33Å
965	S	27.5	Very low	27	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	73%	0.734	S	S	*	*			trans	-145.4	134.1	154	-80.5	0	0	0	0	109
966	L	23.2	Very low	27.5	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	74%	0.737	S	S	*	*			trans	-79.7	154.7	165.6	-67.7	77.3	0	0	0	108.7	V964	V964-L966 HydrophobicContact CG1-CD1 4.33Å
967	N	27.3	Very low	27.8	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	74%	0.744	S	S	*	*				-157.2	127.3	129.2	-105.9	-13.2	0	0	0	110.1
968	S	25.5	Very low	28.4	Very low	91 Å²	91	144.9 Å²	144.9	64%	0.636	76%	0.757	S	S	*	*			trans	-75.8	163.3	156.5	51.4	0	0	0	0	109.6
969	N	27.5	Very low	28.4	Very low	137 Å²	137	143 Å²	143	73%	0.733	76%	0.76	S	S	*	*				170.7	172.2	120.3	-83.2	-1.2	0	0	0	110.8
970	N	31.1	Very low	28.6	Very low	142 Å²	142	145 Å²	145	76%	0.759	77%	0.769	S	S	*	*			trans	76.3	105	178.9	-48.7	-5.2	0	0	0	112.4
971	E	28.5	Very low	29	Very low	180 Å²	180	145.9 Å²	145.9	84%	0.841	77%	0.773	S	S	*	*				70.2	137.4	51.9	-59.7	-167.4	155.7	0	0	113.4
972	S	30.1	Very low	29.2	Very low	88 Å²	88	139.8 Å²	139.8	62%	0.615	76%	0.764	S	S	*	*			cis	-167.1	-159.1	-7.7	49.7	0	0	0	0	109.7
973	I	28.4	Very low	29.6	Very low	149 Å²	149	141.2 Å²	141.2	76%	0.764	77%	0.773	S	S	*	*			trans	76.7	131.9	158.7	-67.6	157.3	0	0	0	116.3
974	I	32.4	Very low	29.8	Very low	144 Å²	144	140.6 Å²	140.6	74%	0.738	77%	0.769	S	S	*	*			cis	-153	165.2	-9.9	-118.3	174.9	0	0	0	111.7
975	N	32.9	Very low	30.2	Very low	136 Å²	136	143.6 Å²	143.6	73%	0.727	78%	0.78	S	S	*	*			trans	-41.2	171.2	171.6	-59.5	-22.9	0	0	0	117.2
976	N	34.3	Very low	30.4	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	78%	0.778	S	S	*	*			cis	-163.8	171	37.4	-142.5	-12.2	0	0	0	116
977	N	31.9	Very low	30.8	Very low	138 Å²	138	143.2 Å²	143.2	74%	0.738	77%	0.771	S	S	*	*			trans	-98	165.3	-171.7	-62.4	-65.7	0	0	0	115.5
978	N	36.8	Very low	30.9	Very low	175 Å²	175	142 Å²	142	94%	0.936	76%	0.764	S	S	*	*			trans	-166.3	149.9	132.4	-99.3	-31.1	0	0	0	112.6
979	L	27.3	Very low	31.1	Very low	160 Å²	160	146 Å²	146	84%	0.838	78%	0.778	S	S	*	*			trans	-155.8	135.8	-163	-179.1	156.1	0	0	0	112.2
980	I	31.2	Very low	31.2	Very low	149 Å²	149	146.3 Å²	146.3	76%	0.764	78%	0.778	S	S	*	*			trans	-140.9	131.2	172.6	-62.5	-176.3	0	0	0	112.3
981	Q	33.9	Very low	31	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	78%	0.778	S	S	*	*			trans	4	137.3	157	-62.8	158.6	-12.4	0	0	120
982	S	29.9	Very low	31.1	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	77%	0.774	S	S	*	*			cis	99	116.1	21.6	78.4	0	0	0	0	116.6
983	N	33.3	Very low	31	Very low	167 Å²	167	144.9 Å²	144.9	89%	0.893	78%	0.779	S	S	*	*			trans	-165.1	160.8	146.9	-106.4	-33.3	0	0	0	112.7
984	N	30.3	Very low	31.2	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	78%	0.779	S	S	*	*			trans	-92.3	163.1	-164	-67.5	-55	0	0	0	115.7
985	I	31.9	Very low	31	Very low	165 Å²	165	144.2 Å²	144.2	85%	0.846	78%	0.783	S	S	*	*				-164.4	152	115.5	-97.3	155.6	0	0	0	112
986	Q	31.5	Very low	30.9	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	79%	0.789	S	S	*	*			trans	-62.2	166.1	-179.8	-89.8	157.7	-62.7	0	0	115.2
987	S	30.2	Very low	30.5	Very low	88 Å²	88	146 Å²	146	62%	0.615	79%	0.791	S	S	*	*			cis	-168.1	-179.5	6.6	38.7	0	0	0	0	113
988	N	30.7	Very low	30.5	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	79%	0.793	S	S	*	*			trans	83.5	87.9	152.7	-60.6	-24.6	0	0	0	120.2
989	L	28.9	Very low	30.1	Very low	176 Å²	176	141.5 Å²	141.5	92%	0.921	78%	0.779	S	S	*	*				-138.1	139.6	129.1	-152.5	75.9	0	0	0	109
990	I	30.6	Very low	30.2	Very low	142 Å²	142	144.7 Å²	144.7	73%	0.728	78%	0.782	S	S	*	*			trans	-94.2	129.7	-167.3	-64.6	173.1	0	0	0	111.1	C992	I990-C992 VanDerWaalsContact CG2-SG 3.53Å
991	I	26.8	Very low	30.1	Very low	148 Å²	148	143 Å²	143	76%	0.759	78%	0.779	S	S	*	*			trans	-121.4	111.3	166.5	-61.5	175.6	0	0	0	107.6	T993	I991-T993 HydrophobicContact CG2-CG2 4.31Å; I991-T993 PolarHBondContact O-N 3.06Å
992	C	29.3	Very low	30	Very low	113 Å²	113	141.2 Å²	141.2	76%	0.764	78%	0.775	S	S	*	*			trans	-93.9	84.7	176.7	-71.3	0	0	0	0	111.1	I990	I990-C992 VanDerWaalsContact CG2-SG 3.53Å
993	T	27.4	Very low	30.3	Very low	119 Å²	119	143.5 Å²	143.5	73%	0.73	78%	0.779	S	S	*	*			trans	-111.2	104.6	159.7	52.2	0	0	0	0	109.1	I991	I991-T993 HydrophobicContact CG2-CG2 4.31Å; I991-T993 PolarHBondContact O-N 3.06Å
994	T	32.7	Very low	30.2	Very low	123 Å²	123	143.2 Å²	143.2	76%	0.755	78%	0.777	S	S	*	*			trans	-125.8	97.4	175.5	51	0	0	0	0	110.2
995	N	28.4	Very low	30.5	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	77%	0.774	S	S	*	*			trans	-60.8	134.3	154.3	-67	-20.5	0	0	0	107.7
996	N	30.7	Very low	30.6	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	77%	0.772	S	S	*	*			trans	-126	116.4	160.5	-102.1	-15.3	0	0	0	108.7
997	I	27.6	Very low	30.8	Very low	158 Å²	158	137.9 Å²	137.9	81%	0.81	77%	0.765	S	S	*	*			trans	-94.6	122.3	172.7	-64.6	164	0	0	0	107.1
998	T	30.8	Very low	30.9	Very low	126 Å²	126	140 Å²	140	77%	0.773	77%	0.774	S	S	*	*			trans	-161.5	134.7	149.3	11	0	0	0	0	112
999	S	27.7	Very low	31.1	Very low	93 Å²	93	148.3 Å²	148.3	65%	0.65	80%	0.795	S	S	*	*			trans	23.6	120.3	149.7	58.4	0	0	0	0	120
1000	Y	30.4	Very low	31.2	Very low	228 Å²	228	146.9 Å²	146.9	89%	0.894	79%	0.789	S	S	*	*				-148.4	146.3	97.3	-110.6	-79.5	0	0	0	110.4
1001	T	28.9	Very low	31.3	Very low	113 Å²	113	147.2 Å²	147.2	69%	0.693	79%	0.792	S	S	*	*			trans	-98	159.7	174.8	50.3	0	0	0	0	110.5
1002	D	32.2	Very low	31.5	Very low	131 Å²	131	147.1 Å²	147.1	70%	0.701	79%	0.794	S	S	*	*				170.4	159.8	116.2	-82	-4.9	0	0	0	111.8
1003	N	35.7	Very low	31.6	Very low	149 Å²	149	149.1 Å²	149.1	80%	0.797	80%	0.796	S	S	*	*			trans	58.4	90.2	167.2	-52.5	-42.7	0	0	0	116.2
1004	L	32.5	Very low	31.9	Very low	161 Å²	161	151 Å²	151	84%	0.843	80%	0.8	S	S	*	*			cis	78.6	128.2	34.4	-153.1	104.4	0	0	0	115
1005	S	35.7	Very low	31.9	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	80%	0.803	S	S	*	*			trans	69.4	157.2	175.9	85.8	0	0	0	0	115.5
1006	Q	34.7	Very low	32.1	Very low	173 Å²	173	152.6 Å²	152.6	81%	0.808	80%	0.8	S	S	*	*			cis	-164.2	163.8	-26	-115.8	-158.9	101.1	0	0	107.5
1007	S	34.4	Very low	32.2	Very low	95 Å²	95	152.2 Å²	152.2	66%	0.664	80%	0.797	S	S	*	*			cis	-152	-167	-1.7	-151.4	0	0	0	0	111.3
1008	V	33.2	Very low	32.6	Very low	133 Å²	133	151.7 Å²	151.7	81%	0.806	80%	0.795	S	S	*	*			trans	-73.2	136.1	-179.2	171.3	0	0	0	0	115.1
1009	R	34.9	Very low	32.8	Very low	313 Å²	313	154 Å²	154	100%	1.181	80%	0.797	S	S	*	*			trans	-144.9	0	132.6	-107.1	-169.2	-174.6	177.5	4	110.2

Retrieved 1,009 of 1,009 residues in 541.8 ms (Link to these results)

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