A0A3Q0KD31_SCHMA Loading...

Putative dishevelled

AlphaFold DB , UniProt , Accession A0A3Q0KD31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 980 aa.

						>A0A3Q0KD31_SCHMA|A0A3Q0KD31
MDDTKIIYHIDDEETPYLVKIAVCPNAVTLGDFKNALNRPNYKFFFKSVDADFGVVKEEIADDDARLPCFNGKVISWLVSADSSTKSDNHSTGTGENHLPGQNKNSTNFNKAPDNIHSVSKNEIPSEQEHAIGTTGHGLEECDTCVETDSVYSGDRVPPLKNFHNYKHGSRLAKLGQRIQNYETSSSMMSSDLESTSFFDSEDESSRFSTATGTTMSSAKYPRHRRQRRHRRILPIRRTSEDATSFSSVTDSTMSLNIITVTLNMDSVNFLGISIVGQSNKAGDGGIYVGSIMRGGAVAQDGRIEPGDMILEVNRISFEDMSNDEAVRVLREEVQKPGPITLVVAKCWDPSPKNYFTIPRQEPVRPIDPRAWVLHTNAMTGALGTPGFDGNTPFFGSGSPAAGMAMIPGHFMGMTPSSGLSVPSMPPGMPPLILPPSMAGINAIPSSNMTTKSLPEVADGDGGGYHRSRGPASSGVVGGPGSTKTNGSRSGGETTVDAKGTQSLLSGANGKSSTSLTVASDMASVVHDMLMSDSGLEIRDRTWLKITIPNAFIGSELVDWLFTHVDGFADRRDARRYASNLLHYGYICHTVNKSTFSEQCYYTFGDIATTLSHLNLDEVDSVSEIGANSSSHTGTHPMMPQMYPHVHHVLPDAPGSGSATGLSSVQNQNAPPNPNLGLMSSPIPGEGNSLAQTNSHYPYPPVLYPIPSAAPVSSSGPCNIDANGNDCSFVNPNSSALPSLRNRMSNNGQMGVDSAMYPVNTTTMPSHTRSVIPNQTHITTMNATSNQRIQQQKVNNSSSSSSSRSSASSTSSSSTGYSGNRCPAGLSANSTTQTININVPQSMTTPLDTSASKGLPSFNKGIQRRTDPSSVQSLSGTSSTSSASRQNGTGASAAGSGSGSAVTTHVLKKFNTNNNSNNNNSLTNRSECLDNVQRTQHGMDFTNAFRQTNCNLVKESNNKPEINQSFNHTMTTGGIPNNQR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	52.8	Low	87.6	Confident	213 Å²	213	61.6 Å²	61.6	100%	1.049	31%	0.305	S	S	*	.				0	99.6	0	-85.4	177.8	169.7	0	0	104.4	D3	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.42Å
2	D	76.1	Confident	87.5	Confident	114 Å²	114	68.3 Å²	68.3	61%	0.61	34%	0.342	S	S	*	.			trans	-108.4	62.9	-150.9	-57.8	1.7	0	0	0	106.3	T4 P25	D2-T4 PolarHBondContact O-N 3.4Å; D2-P25 WeakPolarHBondContact O-CD 3.4Å
3	D	87.3	Confident	87.5	Confident	67 Å²	67	69.7 Å²	69.7	36%	0.358	35%	0.347	S	S	.	.			trans	-63.8	127.4	-173	-45.4	-20.5	0	0	0	110.1	M1 K5 I21	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.42Å; D3-K5 PolarHBondContact O-N 2.84Å; D3-I21 CarbonylContact C-O 3.51Å; D3-I21 WeakPolarHBondContact CA-O 3.38Å
4	T	91.7	Very high	87.3	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.5	170.5	-62.8	0	0	0	0	109.7	D2 I6 K20 I21 V23 P25 V28 V74	D2-T4 PolarHBondContact O-N 3.4Å; T4-I6 HydrophobicContact CG2-CD1 4.39Å; T4-I6 HydrophobicContact CG2-CG1 3.82Å; T4-K20 WeakPolarHBondContact O-CA 3.36Å; T4-I21 PolarHBondContact N-O 3.09Å; T4-I21 PolarHBondContact O-N 3.43Å; T4-V23 WeakPolarHBondContact CB-O 3.26Å; T4-V23 PolarHBondContact N-O 2.87Å; T4-V23 PolarHBondContact OG1-O 2.84Å; T4-P25 VanDerWaalsContact OG1-CA 3.3Å; T4-P25 WeakPolarHBondContact OG1-CA 3.43Å; T4-V28 HydrophobicContact CG2-CB 4.31Å; T4-V28 HydrophobicContact CG2-CG1 3.8Å; T4-V28 HydrophobicContact CG2-CG2 4.3Å; T4-V74 HydrophobicContact CG2-CG2 4.01Å
5	K	93.2	Very high	87.4	Confident	97 Å²	97	76.4 Å²	76.4	42%	0.422	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	106.8	175.2	-71.7	165.9	-171.8	164.8	0	109.5	D3 L18 K20 G72 K73 V74	D3-K5 PolarHBondContact O-N 2.84Å; K5-L18 HydrophobicContact CB-CD1 3.94Å; K5-L18 HydrophobicContact CG-CD1 4.38Å; K5-K20 HydrophobicContact CG-CG 4.46Å; K5-G72 PolarHBondContact N-O 2.85Å; K5-K73 HydrophobicContact CB-CG 4.46Å; K5-K73 VanDerWaalsContact O-CA 3.26Å; K5-K73 WeakPolarHBondContact O-CA 3.31Å; K5-V74 PolarHBondContact O-N 3.45Å
6	I	94.6	Very high	87.8	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.1	176.6	-49.4	-167.4	0	0	0	108.5	T4 L18 V19 I21 V28 F33 L67 V74	T4-I6 HydrophobicContact CG2-CD1 4.39Å; T4-I6 HydrophobicContact CG2-CG1 3.82Å; I6-L18 WeakPolarHBondContact O-CA 3.41Å; I6-V19 HydrophobicContact CB-CG1 3.8Å; I6-V19 HydrophobicContact CG1-CG1 4.46Å; I6-V19 PolarHBondContact N-O 2.97Å; I6-V19 PolarHBondContact O-N 2.82Å; I6-I21 HydrophobicContact CD1-CD1 3.56Å; I6-I21 HydrophobicContact CD1-CG1 4.43Å; I6-I21 HydrophobicContact CG1-CD1 4.3Å; I6-V28 HydrophobicContact CD1-CG2 4.37Å; I6-F33 HydrophobicContact CB-CD2 4.41Å; I6-F33 HydrophobicContact CB-CE2 4.21Å; I6-F33 HydrophobicContact CD1-CB 3.88Å; I6-F33 HydrophobicContact CD1-CD1 4.33Å; I6-F33 HydrophobicContact CD1-CD2 3.73Å; I6-F33 HydrophobicContact CD1-CE2 4.33Å; I6-F33 HydrophobicContact CD1-CG 3.73Å; I6-F33 HydrophobicContact CG2-CD1 4.46Å; I6-F33 HydrophobicContact CG2-CD2 4.11Å; I6-F33 HydrophobicContact CG2-CE1 4.04Å; I6-F33 HydrophobicContact CG2-CE2 3.65Å; I6-F33 HydrophobicContact CG2-CG 4.5Å; I6-F33 HydrophobicContact CG2-CZ 3.62Å; I6-L67 HydrophobicContact CD1-CD1 3.57Å; I6-V74 HydrophobicContact CB-CB 4.25Å; I6-V74 HydrophobicContact CD1-CB 4.42Å; I6-V74 HydrophobicContact CD1-CG2 4.4Å; I6-V74 HydrophobicContact CG1-CB 3.94Å; I6-V74 HydrophobicContact CG1-CG2 4.12Å; I6-V74 HydrophobicContact CG2-CB 4.01Å; I6-V74 HydrophobicContact CG2-CG1 4.1Å
7	I	94.7	Very high	88.2	Confident	46 Å²	46	75.8 Å²	75.8	24%	0.236	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.9	174.9	-59.4	171.8	0	0	0	106.7	P16 Y17 L18 K73 V74 I75 S76	I7-P16 HydrophobicContact CG2-CB 3.69Å; I7-P16 HydrophobicContact CG2-CG 4.18Å; I7-Y17 CarbonylContact C-O 3.54Å; I7-Y17 WeakPolarHBondContact CA-O 3.26Å; I7-L18 HydrophobicContact CG1-CD1 4.05Å; I7-K73 HydrophobicContact CD1-CD 4.33Å; I7-V74 PolarHBondContact N-O 3.3Å; I7-I75 HydrophobicContact CB-CG1 4.47Å; I7-I75 CarbonylContact O-C 3.47Å; I7-I75 VanDerWaalsContact O-CA 3.31Å; I7-I75 WeakPolarHBondContact O-CA 3.43Å; I7-S76 PolarHBondContact O-N 3.27Å
8	Y	94.9	Very high	88.5	Confident	33 Å²	33	77.2 Å²	77.2	13%	0.129	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.7	-174.9	68.6	-86.4	0	0	0	113	I10 P16 Y17 V19 F33 L37 S76 L78	Y8-I10 HydrophobicContact CD2-CG1 4.14Å; Y8-I10 HydrophobicContact CE2-CD1 4.14Å; Y8-I10 HydrophobicContact CE2-CG1 4.09Å; Y8-P16 CarbonylContact O-C 3.55Å; Y8-P16 WeakPolarHBondContact O-CA 3.23Å; Y8-Y17 HydrophobicContact CD2-CD2 4.22Å; Y8-Y17 HydrophobicContact CD2-CG 4.41Å; Y8-Y17 VanDerWaalsContact CE1-CB 3.47Å; Y8-Y17 AromaticContact CE2-CD2 3.87Å; Y8-Y17 HydrophobicContact CE2-CD2 3.87Å; Y8-Y17 AromaticContact CE2-CG 3.81Å; Y8-Y17 HydrophobicContact CE2-CG 3.81Å; Y8-Y17 AromaticContact CZ-CG 3.87Å; Y8-Y17 PolarHBondContact N-O 2.74Å; Y8-Y17 PolarHBondContact O-N 2.77Å; Y8-V19 HydrophobicContact CD1-CG1 4.26Å; Y8-V19 HydrophobicContact CE1-CB 4.11Å; Y8-V19 HydrophobicContact CE1-CG1 4.03Å; Y8-F33 AromaticContact CD1-CE2 4Å; Y8-F33 HydrophobicContact CD1-CE2 4Å; Y8-F33 HydrophobicContact CD1-CZ 4.06Å; Y8-F33 HydrophobicContact CE1-CE2 4.4Å; Y8-F33 HydrophobicContact CG-CE2 4.38Å; Y8-F33 HydrophobicContact CG-CZ 4Å; Y8-L37 HydrophobicContact CD2-CD2 4.41Å; Y8-L37 HydrophobicContact CE1-CD2 3.85Å; Y8-L37 HydrophobicContact CE2-CD2 3.72Å; Y8-L37 WeakPolarHBondContact OH-CD2 3.21Å; Y8-S76 WeakPolarHBondContact CA-O 3.28Å; Y8-L78 HydrophobicContact CD2-CD1 4.28Å; Y8-L78 HydrophobicContact CD2-CD2 4.1Å; Y8-L78 HydrophobicContact CE2-CD2 4.41Å
9	H	94.7	Very high	88.8	Confident	38 Å²	38	74.6 Å²	74.6	18%	0.176	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.7	173.1	-43	74.9	0	0	0	107.7	S76 W77 L78	H9-S76 PolarHBondContact N-O 2.81Å; H9-S76 VanDerWaalsContact N-O 3.1Å; H9-S76 PolarHBondContact ND1-O 2.85Å; H9-W77 HydrophobicContact CB-CG 4.48Å; H9-W77 AromaticContact CE1-NE1 3.8Å; H9-W77 AromaticContact CG-CD1 3.79Å; H9-W77 AromaticContact CG-NE1 3.77Å; H9-W77 AromaticContact ND1-CD1 3.62Å; H9-W77 AromaticContact ND1-CE2 3.81Å; H9-W77 AromaticContact ND1-NE1 3.4Å; H9-W77 PolarHBondContact ND1-NE1 2.69Å; H9-L78 PolarHBondContact O-N 3.03Å
10	I	93	Very high	89	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.026	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.1	173.9	-55.8	178.8	0	0	0	106.7	Y8 D12 E13 Y17 Y42	Y8-I10 HydrophobicContact CD2-CG1 4.14Å; Y8-I10 HydrophobicContact CE2-CD1 4.14Å; Y8-I10 HydrophobicContact CE2-CG1 4.09Å; I10-D12 PolarHBondContact O-N 3.22Å; I10-E13 VanDerWaalsContact O-CB 3.24Å; I10-E13 WeakPolarHBondContact O-CB 2.96Å; I10-E13 WeakPolarHBondContact O-CG 3.23Å; I10-E13 PolarHBondContact O-N 3.4Å; I10-Y17 HydrophobicContact CB-CE2 4.48Å; I10-Y17 HydrophobicContact CD1-CD2 4Å; I10-Y17 HydrophobicContact CD1-CE2 3.63Å; I10-Y17 HydrophobicContact CG1-CD2 4Å; I10-Y17 HydrophobicContact CG1-CE2 3.87Å; I10-Y42 HydrophobicContact CG2-CE1 3.78Å
11	D	90.5	Very high	89.2	Confident	65 Å²	65	74.6 Å²	74.6	35%	0.348	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	-123.7	-178.9	-58.6	-51.3	0	0	0	111.6	L78 V79 S80	D11-L78 PolarHBondContact N-O 3.46Å; D11-V79 WeakPolarHBondContact OD1-CA 3.34Å; D11-S80 PolarHBondContact OD1-N 3.12Å; D11-S80 PolarHBondContact OD1-OG 3.34Å; D11-S80 WeakPolarHBondContact OD2-CB 3.36Å; D11-S80 PolarHBondContact OD2-OG 2.86Å
12	D	86.4	Confident	91	Very high	141 Å²	141	69.1 Å²	69.1	75%	0.754	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	13.2	177.9	-69.2	-57.1	0	0	0	114.5	I10 E14	I10-D12 PolarHBondContact O-N 3.22Å; D12-E14 PolarHBondContact O-N 2.59Å; D12-E14 VanDerWaalsContact O-N 3.16Å
13	E	87.9	Confident	91.7	Very high	87 Å²	87	65.7 Å²	65.7	41%	0.407	35%	0.345	S	S	.	.			trans	-66.7	114.1	-179.3	-69	-171.6	-147.7	0	0	112.7	I10 T15 Y17	I10-E13 VanDerWaalsContact O-CB 3.24Å; I10-E13 WeakPolarHBondContact O-CB 2.96Å; I10-E13 WeakPolarHBondContact O-CG 3.23Å; I10-E13 PolarHBondContact O-N 3.4Å; E13-T15 VanDerWaalsContact C-N 3.28Å; E13-T15 PolarHBondContact O-N 3.47Å; E13-Y17 WeakPolarHBondContact OE2-CE2 3.41Å; E13-Y17 VanDerWaalsContact OE2-CZ 3.25Å; E13-Y17 PolarHBondContact OE2-OH 2.83Å
14	E	84.3	Confident	91.7	Very high	142 Å²	142	65.9 Å²	65.9	66%	0.664	35%	0.35	S	S	*	.	S	Bend	trans	-60.6	-33.2	-178.3	-167.2	-164.7	178.3	0	0	113.7	D12 P16	D12-E14 PolarHBondContact O-N 2.59Å; D12-E14 VanDerWaalsContact O-N 3.16Å; E14-P16 VanDerWaalsContact O-CD 3.27Å; E14-P16 WeakPolarHBondContact O-CD 3.42Å
15	T	89.2	Confident	91.5	Very high	98 Å²	98	67 Å²	67	60%	0.601	36%	0.357	S	S	*	.	S	Bend	trans	-91.3	110.1	-177	-66.4	0	0	0	0	110.6	E13	E13-T15 VanDerWaalsContact C-N 3.28Å; E13-T15 PolarHBondContact O-N 3.47Å
16	P	94	Very high	91.1	Very high	51 Å²	51	69.1 Å²	69.1	33%	0.331	37%	0.373	S	S	.	.			trans	-74	138.5	179	29	-34.4	0	0	0	112.3	I7 Y8 E14	I7-P16 HydrophobicContact CG2-CB 3.69Å; I7-P16 HydrophobicContact CG2-CG 4.18Å; Y8-P16 CarbonylContact O-C 3.55Å; Y8-P16 WeakPolarHBondContact O-CA 3.23Å; E14-P16 VanDerWaalsContact O-CD 3.27Å; E14-P16 WeakPolarHBondContact O-CD 3.42Å
17	Y	94.2	Very high	90.9	Very high	91 Å²	91	71.1 Å²	71.1	36%	0.357	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	159.5	168.4	-60.7	-89.4	0	0	0	111.3	I7 Y8 I10 E13	I7-Y17 CarbonylContact C-O 3.54Å; I7-Y17 WeakPolarHBondContact CA-O 3.26Å; Y8-Y17 HydrophobicContact CD2-CD2 4.22Å; Y8-Y17 HydrophobicContact CD2-CG 4.41Å; Y8-Y17 VanDerWaalsContact CE1-CB 3.47Å; Y8-Y17 AromaticContact CE2-CD2 3.87Å; Y8-Y17 HydrophobicContact CE2-CD2 3.87Å; Y8-Y17 AromaticContact CE2-CG 3.81Å; Y8-Y17 HydrophobicContact CE2-CG 3.81Å; Y8-Y17 AromaticContact CZ-CG 3.87Å; Y8-Y17 PolarHBondContact N-O 2.74Å; Y8-Y17 PolarHBondContact O-N 2.77Å; I10-Y17 HydrophobicContact CB-CE2 4.48Å; I10-Y17 HydrophobicContact CD1-CD2 4Å; I10-Y17 HydrophobicContact CD1-CE2 3.63Å; I10-Y17 HydrophobicContact CG1-CD2 4Å; I10-Y17 HydrophobicContact CG1-CE2 3.87Å; E13-Y17 WeakPolarHBondContact OE2-CE2 3.41Å; E13-Y17 VanDerWaalsContact OE2-CZ 3.25Å; E13-Y17 PolarHBondContact OE2-OH 2.83Å
18	L	94	Very high	90.8	Very high	102 Å²	102	69 Å²	69	53%	0.534	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.4	174.4	170.6	63.4	0	0	0	109.9	K5 I6 I7	K5-L18 HydrophobicContact CB-CD1 3.94Å; K5-L18 HydrophobicContact CG-CD1 4.38Å; I6-L18 WeakPolarHBondContact O-CA 3.41Å; I7-L18 HydrophobicContact CG1-CD1 4.05Å
19	V	93.8	Very high	90.8	Very high	27 Å²	27	68.7 Å²	68.7	16%	0.164	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148	165.5	67.5	0	0	0	0	110.4	I6 Y8 F33 A36	I6-V19 HydrophobicContact CB-CG1 3.8Å; I6-V19 HydrophobicContact CG1-CG1 4.46Å; I6-V19 PolarHBondContact N-O 2.97Å; I6-V19 PolarHBondContact O-N 2.82Å; Y8-V19 HydrophobicContact CD1-CG1 4.26Å; Y8-V19 HydrophobicContact CE1-CB 4.11Å; Y8-V19 HydrophobicContact CE1-CG1 4.03Å; V19-F33 HydrophobicContact CG1-CD2 3.92Å; V19-F33 HydrophobicContact CG1-CE2 3.7Å; V19-A36 HydrophobicContact CG2-CB 4Å
20	K	92.9	Very high	90.8	Very high	136 Å²	136	66.9 Å²	66.9	59%	0.591	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.6	173	-61.8	178	-171	169.8	0	108.3	T4 K5	T4-K20 WeakPolarHBondContact O-CA 3.36Å; K5-K20 HydrophobicContact CG-CG 4.46Å
21	I	92.6	Very high	90.8	Very high	13 Å²	13	67.2 Å²	67.2	7%	0.067	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	178.3	-56.7	-175	0	0	0	108	D3 T4 I6 V23 V28 D32 F33 A36	D3-I21 CarbonylContact C-O 3.51Å; D3-I21 WeakPolarHBondContact CA-O 3.38Å; T4-I21 PolarHBondContact N-O 3.09Å; T4-I21 PolarHBondContact O-N 3.43Å; I6-I21 HydrophobicContact CD1-CD1 3.56Å; I6-I21 HydrophobicContact CD1-CG1 4.43Å; I6-I21 HydrophobicContact CG1-CD1 4.3Å; I21-V23 HydrophobicContact CG2-CB 3.97Å; I21-V23 HydrophobicContact CG2-CG2 3.87Å; I21-V23 PolarHBondContact O-N 3.17Å; I21-V28 HydrophobicContact CD1-CG2 4.14Å; I21-V28 HydrophobicContact CG2-CG2 4.44Å; I21-D32 HydrophobicContact CD1-CB 4.29Å; I21-D32 HydrophobicContact CG2-CB 4.16Å; I21-F33 HydrophobicContact CD1-CB 4.08Å; I21-F33 HydrophobicContact CD1-CD2 4.38Å; I21-A36 HydrophobicContact CD1-CB 4Å; I21-A36 HydrophobicContact CG1-CB 4.05Å
22	A	91.3	Very high	90.9	Very high	99 Å²	99	66.3 Å²	66.3	82%	0.818	37%	0.372	S	S	*	.	S	Bend	trans	-76.8	36.7	-178.7	0	0	0	0	0	113.2
23	V	90.4	Very high	91.3	Very high	42 Å²	42	59.6 Å²	59.6	26%	0.255	34%	0.337	S	S	.	.	S	Bend	trans	-123.4	138.3	178	178.7	0	0	0	0	107.6	T4 I21 A27 V28	T4-V23 WeakPolarHBondContact CB-O 3.26Å; T4-V23 PolarHBondContact N-O 2.87Å; T4-V23 PolarHBondContact OG1-O 2.84Å; I21-V23 HydrophobicContact CG2-CB 3.97Å; I21-V23 HydrophobicContact CG2-CG2 3.87Å; I21-V23 PolarHBondContact O-N 3.17Å; V23-A27 HydrophobicContact CG1-CB 3.97Å; V23-V28 HydrophobicContact CB-CB 4.5Å; V23-V28 HydrophobicContact CG1-CB 4.21Å
24	C	88.5	Confident	91.5	Very high	70 Å²	70	58.2 Å²	58.2	47%	0.473	33%	0.329	S	S	.	.			trans	-62	145.8	-178.3	-59	0	0	0	0	111.7	N26 A27 V28	C24-N26 PolarHBondContact O-N 3.47Å; C24-A27 PolarHBondContact O-N 3.33Å; C24-V28 PolarHBondContact O-N 3.21Å
25	P	85.9	Confident	91.8	Very high	24 Å²	24	57.1 Å²	57.1	16%	0.156	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.7	-175.6	-30	36.8	0	0	0	115.3	D2 T4 A27 C69	D2-P25 WeakPolarHBondContact O-CD 3.4Å; T4-P25 VanDerWaalsContact OG1-CA 3.3Å; T4-P25 WeakPolarHBondContact OG1-CA 3.43Å; P25-A27 VanDerWaalsContact C-N 3.26Å; P25-A27 PolarHBondContact O-N 3.04Å; P25-C69 HydrophobicContact CB-CB 4.15Å; P25-C69 PolarHBondContact O-SG 3.13Å
26	N	84.8	Confident	91.9	Very high	141 Å²	141	54.5 Å²	54.5	75%	0.754	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.2	179.6	-59.4	9.1	0	0	0	113.3	C24 R66	C24-N26 PolarHBondContact O-N 3.47Å; N26-R66 PolarHBondContact O-NH1 3.41Å
27	A	91	Very high	91.6	Very high	43 Å²	43	53.2 Å²	53.2	36%	0.355	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-10.4	-170.8	0	0	0	0	0	114.8	V23 C24 P25	V23-A27 HydrophobicContact CG1-CB 3.97Å; C24-A27 PolarHBondContact O-N 3.33Å; P25-A27 VanDerWaalsContact C-N 3.26Å; P25-A27 PolarHBondContact O-N 3.04Å
28	V	93.3	Very high	90.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	33%	0.326	C	S	.	.			trans	-67.2	134.5	-179.3	60	0	0	0	0	112.1	T4 I6 I21 V23 C24 D32 R66 L67	T4-V28 HydrophobicContact CG2-CB 4.31Å; T4-V28 HydrophobicContact CG2-CG1 3.8Å; T4-V28 HydrophobicContact CG2-CG2 4.3Å; I6-V28 HydrophobicContact CD1-CG2 4.37Å; I21-V28 HydrophobicContact CD1-CG2 4.14Å; I21-V28 HydrophobicContact CG2-CG2 4.44Å; V23-V28 HydrophobicContact CB-CB 4.5Å; V23-V28 HydrophobicContact CG1-CB 4.21Å; C24-V28 PolarHBondContact O-N 3.21Å; V28-D32 WeakPolarHBondContact CA-OD2 3.18Å; V28-D32 HydrophobicContact CG2-CB 4.02Å; V28-R66 WeakPolarHBondContact O-CA 3.02Å; V28-L67 HydrophobicContact CG1-CB 4.23Å; V28-L67 HydrophobicContact CG2-CD1 4.18Å; V28-L67 PolarHBondContact O-N 3.05Å; V28-L67 VanDerWaalsContact O-N 3.08Å
29	T	95	Very high	89.7	Confident	27 Å²	27	56.9 Å²	56.9	17%	0.166	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-109.9	170.8	178.2	71.3	0	0	0	0	113.3	G31 D32 F33 D63 A65	T29-G31 VanDerWaalsContact C-N 3.28Å; T29-G31 PolarHBondContact OG1-N 2.95Å; T29-D32 PolarHBondContact N-OD2 3.25Å; T29-D32 WeakPolarHBondContact O-CB 3.48Å; T29-D32 PolarHBondContact O-N 2.84Å; T29-D32 PolarHBondContact OG1-N 2.85Å; T29-D32 VanDerWaalsContact OG1-N 3.15Å; T29-F33 PolarHBondContact O-N 3.42Å; T29-D63 WeakPolarHBondContact CB-O 3.25Å; T29-D63 PolarHBondContact OG1-O 2.93Å; T29-A65 CarbonylContact C-O 3.58Å; T29-A65 WeakPolarHBondContact CA-O 3.29Å; T29-A65 WeakPolarHBondContact CB-O 3.46Å
30	L	94.3	Very high	88.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-37.9	168.4	-179.7	64.6	0	0	0	111.7	D32 F33 K34 F44 F46 I60 A61 D62 A65 L67	L30-D32 PolarHBondContact O-N 2.99Å; L30-F33 HydrophobicContact CD1-CD1 4.46Å; L30-F33 PolarHBondContact O-N 3.06Å; L30-F33 VanDerWaalsContact O-N 3.11Å; L30-K34 HydrophobicContact CD1-CD 4.47Å; L30-K34 HydrophobicContact CD1-CG 4.34Å; L30-K34 HydrophobicContact CD2-CD 4.41Å; L30-K34 VanDerWaalsContact CD2-CE 3.5Å; L30-K34 VanDerWaalsContact CD2-NZ 3.32Å; L30-K34 HydrophobicContact CG-CD 4.01Å; L30-K34 HydrophobicContact CG-CG 4.33Å; L30-K34 PolarHBondContact O-N 3.15Å; L30-F44 HydrophobicContact CD1-CB 3.91Å; L30-F44 HydrophobicContact CD1-CD1 4.12Å; L30-F44 HydrophobicContact CD1-CD2 4.28Å; L30-F44 HydrophobicContact CD1-CG 3.85Å; L30-F46 HydrophobicContact CD1-CE2 3.92Å; L30-F46 HydrophobicContact CD1-CZ 3.71Å; L30-I60 HydrophobicContact CD2-CG2 4.25Å; L30-I60 WeakPolarHBondContact CD2-O 3.45Å; L30-A61 VanDerWaalsContact CD2-C 3.49Å; L30-A61 WeakPolarHBondContact CD2-O 3.49Å; L30-D62 WeakPolarHBondContact CB-O 3.1Å; L30-D62 VanDerWaalsContact CD2-O 3.25Å; L30-D62 WeakPolarHBondContact CD2-O 3.39Å; L30-A65 PolarHBondContact N-O 3.25Å; L30-L67 HydrophobicContact CB-CD2 4.05Å; L30-L67 HydrophobicContact CD1-CD2 4.43Å
31	G	92.5	Very high	87.9	Confident	12 Å²	12	59.2 Å²	59.2	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-44.9	173.9	0	0	0	0	0	112.5	T29 F33 K34 N35 D63	T29-G31 VanDerWaalsContact C-N 3.28Å; T29-G31 PolarHBondContact OG1-N 2.95Å; G31-F33 VanDerWaalsContact C-N 3.27Å; G31-F33 PolarHBondContact O-N 3.09Å; G31-K34 PolarHBondContact O-N 3.15Å; G31-N35 VanDerWaalsContact O-CB 3.28Å; G31-N35 WeakPolarHBondContact O-CB 3.26Å; G31-N35 PolarHBondContact O-N 2.99Å; G31-N35 PolarHBondContact O-ND2 2.82Å; G31-D63 PolarHBondContact N-O 3.3Å
32	D	93.5	Very high	87.8	Confident	46 Å²	46	60.5 Å²	60.5	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-56.3	-41.9	173.5	-70.4	-41	0	0	0	111.9	I21 V28 T29 L30 A36	I21-D32 HydrophobicContact CD1-CB 4.29Å; I21-D32 HydrophobicContact CG2-CB 4.16Å; V28-D32 WeakPolarHBondContact CA-OD2 3.18Å; V28-D32 HydrophobicContact CG2-CB 4.02Å; T29-D32 PolarHBondContact N-OD2 3.25Å; T29-D32 WeakPolarHBondContact O-CB 3.48Å; T29-D32 PolarHBondContact O-N 2.84Å; T29-D32 PolarHBondContact OG1-N 2.85Å; T29-D32 VanDerWaalsContact OG1-N 3.15Å; L30-D32 PolarHBondContact O-N 2.99Å; D32-A36 WeakPolarHBondContact O-CB 3.43Å; D32-A36 PolarHBondContact O-N 3.34Å
33	F	94.2	Very high	87.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-74.6	-43.1	-177.4	-179	-143.2	0	0	0	112.9	I6 Y8 V19 I21 T29 L30 G31 N35 A36 L37 F44 F46 L67 L78	I6-F33 HydrophobicContact CB-CD2 4.41Å; I6-F33 HydrophobicContact CB-CE2 4.21Å; I6-F33 HydrophobicContact CD1-CB 3.88Å; I6-F33 HydrophobicContact CD1-CD1 4.33Å; I6-F33 HydrophobicContact CD1-CD2 3.73Å; I6-F33 HydrophobicContact CD1-CE2 4.33Å; I6-F33 HydrophobicContact CD1-CG 3.73Å; I6-F33 HydrophobicContact CG2-CD1 4.46Å; I6-F33 HydrophobicContact CG2-CD2 4.11Å; I6-F33 HydrophobicContact CG2-CE1 4.04Å; I6-F33 HydrophobicContact CG2-CE2 3.65Å; I6-F33 HydrophobicContact CG2-CG 4.5Å; I6-F33 HydrophobicContact CG2-CZ 3.62Å; Y8-F33 AromaticContact CD1-CE2 4Å; Y8-F33 HydrophobicContact CD1-CE2 4Å; Y8-F33 HydrophobicContact CD1-CZ 4.06Å; Y8-F33 HydrophobicContact CE1-CE2 4.4Å; Y8-F33 HydrophobicContact CG-CE2 4.38Å; Y8-F33 HydrophobicContact CG-CZ 4Å; V19-F33 HydrophobicContact CG1-CD2 3.92Å; V19-F33 HydrophobicContact CG1-CE2 3.7Å; I21-F33 HydrophobicContact CD1-CB 4.08Å; I21-F33 HydrophobicContact CD1-CD2 4.38Å; T29-F33 PolarHBondContact O-N 3.42Å; L30-F33 HydrophobicContact CD1-CD1 4.46Å; L30-F33 PolarHBondContact O-N 3.06Å; L30-F33 VanDerWaalsContact O-N 3.11Å; G31-F33 VanDerWaalsContact C-N 3.27Å; G31-F33 PolarHBondContact O-N 3.09Å; F33-N35 VanDerWaalsContact C-N 3.33Å; F33-N35 PolarHBondContact O-N 3Å; F33-A36 PolarHBondContact O-N 2.91Å; F33-A36 VanDerWaalsContact O-N 3.13Å; F33-L37 HydrophobicContact CD1-CD1 4.34Å; F33-L37 HydrophobicContact CD2-CD1 3.82Å; F33-L37 HydrophobicContact CD2-CG 3.97Å; F33-L37 HydrophobicContact CE1-CD1 4.1Å; F33-L37 HydrophobicContact CE2-CD1 3.53Å; F33-L37 HydrophobicContact CE2-CD2 3.93Å; F33-L37 HydrophobicContact CE2-CG 3.73Å; F33-L37 HydrophobicContact CG-CD1 4.22Å; F33-L37 HydrophobicContact CZ-CD1 3.68Å; F33-L37 HydrophobicContact CZ-CD2 4.46Å; F33-L37 HydrophobicContact CZ-CG 4.35Å; F33-L37 WeakPolarHBondContact O-CG 3.27Å; F33-L37 PolarHBondContact O-N 3.04Å; F33-F44 HydrophobicContact CD1-CD1 4.14Å; F33-F44 HydrophobicContact CD1-CE1 4.3Å; F33-F44 AromaticContact CE1-CD1 3.87Å; F33-F44 HydrophobicContact CE1-CD1 3.87Å; F33-F44 HydrophobicContact CE1-CE1 4.09Å; F33-F46 AromaticContact CD1-CE1 3.92Å; F33-F46 HydrophobicContact CD1-CE1 3.92Å; F33-F46 AromaticContact CD1-CZ 3.84Å; F33-F46 HydrophobicContact CD1-CZ 3.84Å; F33-F46 AromaticContact CE1-CE1 3.89Å; F33-F46 HydrophobicContact CE1-CE1 3.89Å; F33-F46 HydrophobicContact CE1-CZ 4Å; F33-L67 HydrophobicContact CB-CD1 3.95Å; F33-L67 HydrophobicContact CD1-CD1 4.34Å; F33-L67 HydrophobicContact CG-CD1 4.41Å; F33-L78 HydrophobicContact CE1-CD1 3.98Å; F33-L78 HydrophobicContact CZ-CD1 3.96Å
34	K	92.1	Very high	88	Confident	57 Å²	57	58.7 Å²	58.7	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-44.4	172.1	-75.4	172.4	-179.6	169.8	0	111	L30 G31 A36 L37 N38 F44 A61 D63	L30-K34 HydrophobicContact CD1-CD 4.47Å; L30-K34 HydrophobicContact CD1-CG 4.34Å; L30-K34 HydrophobicContact CD2-CD 4.41Å; L30-K34 VanDerWaalsContact CD2-CE 3.5Å; L30-K34 VanDerWaalsContact CD2-NZ 3.32Å; L30-K34 HydrophobicContact CG-CD 4.01Å; L30-K34 HydrophobicContact CG-CG 4.33Å; L30-K34 PolarHBondContact O-N 3.15Å; G31-K34 PolarHBondContact O-N 3.15Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 3.04Å; K34-L37 PolarHBondContact O-N 2.93Å; K34-N38 PolarHBondContact O-N 3.08Å; K34-F44 HydrophobicContact CD-CE2 4.22Å; K34-F44 HydrophobicContact CG-CE1 4.37Å; K34-F44 HydrophobicContact CG-CE2 3.86Å; K34-F44 HydrophobicContact CG-CZ 3.74Å; K34-A61 PolarHBondContact NZ-O 2.84Å; K34-A61 VanDerWaalsContact NZ-O 3.14Å; K34-D63 WeakPolarHBondContact CD-OD1 3.4Å; K34-D63 WeakPolarHBondContact CE-OD1 3.36Å; K34-D63 IonicContact NZ-OD1 2.8Å; K34-D63 PolarHBondContact NZ-OD1 2.85Å
35	N	91.4	Very high	88.3	Confident	120 Å²	120	57.5 Å²	57.5	64%	0.642	31%	0.308	S	S	*	.	H	α-helix	trans	-61.8	-36.4	174.1	-74.3	-35.9	0	0	0	112.9	G31 F33 L37	G31-N35 VanDerWaalsContact O-CB 3.28Å; G31-N35 WeakPolarHBondContact O-CB 3.26Å; G31-N35 PolarHBondContact O-N 2.99Å; G31-N35 PolarHBondContact O-ND2 2.82Å; F33-N35 VanDerWaalsContact C-N 3.33Å; F33-N35 PolarHBondContact O-N 3Å; N35-L37 VanDerWaalsContact C-N 3.34Å
36	A	90.9	Very high	88.8	Confident	43 Å²	43	56.3 Å²	56.3	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-73.4	-22.3	177.5	0	0	0	0	0	113.8	V19 I21 D32 F33 K34	V19-A36 HydrophobicContact CG2-CB 4Å; I21-A36 HydrophobicContact CD1-CB 4Å; I21-A36 HydrophobicContact CG1-CB 4.05Å; D32-A36 WeakPolarHBondContact O-CB 3.43Å; D32-A36 PolarHBondContact O-N 3.34Å; F33-A36 PolarHBondContact O-N 2.91Å; F33-A36 VanDerWaalsContact O-N 3.13Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 3.04Å
37	L	86.9	Confident	89.3	Confident	24 Å²	24	51.1 Å²	51.1	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-89.5	-30	-178.6	-73.7	166.3	0	0	0	114.3	Y8 F33 K34 N35 R39 F44 L78	Y8-L37 HydrophobicContact CD2-CD2 4.41Å; Y8-L37 HydrophobicContact CE1-CD2 3.85Å; Y8-L37 HydrophobicContact CE2-CD2 3.72Å; Y8-L37 WeakPolarHBondContact OH-CD2 3.21Å; F33-L37 HydrophobicContact CD1-CD1 4.34Å; F33-L37 HydrophobicContact CD2-CD1 3.82Å; F33-L37 HydrophobicContact CD2-CG 3.97Å; F33-L37 HydrophobicContact CE1-CD1 4.1Å; F33-L37 HydrophobicContact CE2-CD1 3.53Å; F33-L37 HydrophobicContact CE2-CD2 3.93Å; F33-L37 HydrophobicContact CE2-CG 3.73Å; F33-L37 HydrophobicContact CG-CD1 4.22Å; F33-L37 HydrophobicContact CZ-CD1 3.68Å; F33-L37 HydrophobicContact CZ-CD2 4.46Å; F33-L37 HydrophobicContact CZ-CG 4.35Å; F33-L37 WeakPolarHBondContact O-CG 3.27Å; F33-L37 PolarHBondContact O-N 3.04Å; K34-L37 PolarHBondContact O-N 2.93Å; N35-L37 VanDerWaalsContact C-N 3.34Å; L37-R39 PolarHBondContact O-N 2.98Å; L37-F44 HydrophobicContact CD1-CE1 3.61Å; L37-F44 HydrophobicContact CD1-CZ 4.17Å; L37-L78 HydrophobicContact CD1-CD2 3.87Å; L37-L78 HydrophobicContact CD2-CD2 4.5Å
38	N	77.9	Confident	89.4	Confident	144 Å²	144	49.4 Å²	49.4	77%	0.77	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	30.6	-173.2	-68.8	-65	0	0	0	114.4	K34	K34-N38 PolarHBondContact O-N 3.08Å
39	R	69.7	Low	89.3	Confident	125 Å²	125	51 Å²	51	47%	0.472	27%	0.266	S	S	.	.			trans	-126.1	118.2	173	-63.8	-168.6	-175	-177	3.6	111.1	L37 Y42	L37-R39 PolarHBondContact O-N 2.98Å; R39-Y42 HydrophobicContact CB-CD2 4.15Å; R39-Y42 HydrophobicContact CB-CE2 3.79Å; R39-Y42 HydrophobicContact CG-CE2 4.39Å; R39-Y42 PolarHBondContact NH1-OH 2.81Å
40	P	67.1	Low	89.1	Confident	104 Å²	104	52.4 Å²	52.4	68%	0.675	27%	0.273	S	S	*	.			trans	-73.7	176.7	162.6	34.2	-34.6	0	0	0	110.8
41	N	82.4	Confident	88.9	Confident	109 Å²	109	56.5 Å²	56.5	58%	0.583	31%	0.307	S	S	*	.	S	Bend	trans	70.9	35.1	170.6	-56	12.2	0	0	0	117.6	A81	N41-A81 WeakPolarHBondContact O-CB 3.24Å; N41-A81 PolarHBondContact O-N 2.73Å; N41-A81 VanDerWaalsContact O-N 3.1Å
42	Y	90	Very high	88.8	Confident	39 Å²	39	62.8 Å²	62.8	15%	0.153	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	165.9	-69.7	-80	0	0	0	112	I10 R39 F44 L78 V79 S80	I10-Y42 HydrophobicContact CG2-CE1 3.78Å; R39-Y42 HydrophobicContact CB-CD2 4.15Å; R39-Y42 HydrophobicContact CB-CE2 3.79Å; R39-Y42 HydrophobicContact CG-CE2 4.39Å; R39-Y42 PolarHBondContact NH1-OH 2.81Å; Y42-F44 WeakPolarHBondContact O-CD2 3.43Å; Y42-F44 WeakPolarHBondContact O-CE2 3.18Å; Y42-L78 HydrophobicContact CD1-CB 3.67Å; Y42-L78 HydrophobicContact CD1-CD2 4.39Å; Y42-L78 HydrophobicContact CD1-CG 4.33Å; Y42-L78 HydrophobicContact CD2-CD2 4.18Å; Y42-L78 HydrophobicContact CE1-CB 4.28Å; Y42-L78 HydrophobicContact CG-CB 3.97Å; Y42-L78 HydrophobicContact CG-CD2 4.07Å; Y42-L78 HydrophobicContact CG-CG 4.13Å; Y42-V79 CarbonylContact C-O 3.5Å; Y42-V79 WeakPolarHBondContact CA-O 3.12Å; Y42-S80 VanDerWaalsContact CE1-OG 3.24Å; Y42-S80 WeakPolarHBondContact CE1-OG 3.26Å
43	K	92.1	Very high	88.4	Confident	92 Å²	92	69 Å²	69	40%	0.4	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.9	159.2	-51.9	-158.8	81.3	-155.8	0	108.7	F45 E59 L78 V79	K43-F45 HydrophobicContact CB-CE2 3.8Å; K43-F45 HydrophobicContact CB-CZ 4.38Å; K43-E59 WeakPolarHBondContact CE-OE1 3.22Å; K43-E59 IonicContact NZ-OE1 3.15Å; K43-E59 PolarHBondContact NZ-OE1 2.66Å; K43-E59 IonicContact NZ-OE2 3.28Å; K43-E59 PolarHBondContact NZ-OE2 3.07Å; K43-L78 WeakPolarHBondContact O-CA 3.22Å; K43-V79 HydrophobicContact CB-CB 4.48Å; K43-V79 PolarHBondContact N-O 2.86Å; K43-V79 PolarHBondContact O-N 3.22Å
44	F	94.1	Very high	88.2	Confident	12 Å²	12	69.5 Å²	69.5	5%	0.053	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.5	-172.1	-67.8	-91.5	0	0	0	111.4	L30 F33 K34 L37 Y42 F46 I60 L78	L30-F44 HydrophobicContact CD1-CB 3.91Å; L30-F44 HydrophobicContact CD1-CD1 4.12Å; L30-F44 HydrophobicContact CD1-CD2 4.28Å; L30-F44 HydrophobicContact CD1-CG 3.85Å; F33-F44 HydrophobicContact CD1-CD1 4.14Å; F33-F44 HydrophobicContact CD1-CE1 4.3Å; F33-F44 AromaticContact CE1-CD1 3.87Å; F33-F44 HydrophobicContact CE1-CD1 3.87Å; F33-F44 HydrophobicContact CE1-CE1 4.09Å; K34-F44 HydrophobicContact CD-CE2 4.22Å; K34-F44 HydrophobicContact CG-CE1 4.37Å; K34-F44 HydrophobicContact CG-CE2 3.86Å; K34-F44 HydrophobicContact CG-CZ 3.74Å; L37-F44 HydrophobicContact CD1-CE1 3.61Å; L37-F44 HydrophobicContact CD1-CZ 4.17Å; Y42-F44 WeakPolarHBondContact O-CD2 3.43Å; Y42-F44 WeakPolarHBondContact O-CE2 3.18Å; F44-F46 HydrophobicContact CB-CE2 3.64Å; F44-F46 HydrophobicContact CB-CZ 3.99Å; F44-F46 HydrophobicContact CD1-CZ 4.48Å; F44-I60 PolarHBondContact O-N 2.94Å; F44-L78 HydrophobicContact CD1-CD1 3.71Å; F44-L78 HydrophobicContact CD1-CG 3.85Å; F44-L78 HydrophobicContact CE1-CD1 3.88Å; F44-L78 HydrophobicContact CE1-CD2 3.95Å; F44-L78 HydrophobicContact CE1-CG 3.69Å; F44-L78 HydrophobicContact CZ-CG 4.5Å
45	F	95.7	Very high	88.2	Confident	44 Å²	44	67 Å²	67	19%	0.193	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.4	174.4	-59.5	-90.6	0	0	0	110.8	K43 K57 E58 E59 S76 W77 V79	K43-F45 HydrophobicContact CB-CE2 3.8Å; K43-F45 HydrophobicContact CB-CZ 4.38Å; F45-K57 HydrophobicContact CB-CB 4.4Å; F45-E58 CarbonylContact C-O 3.48Å; F45-E58 VanDerWaalsContact CA-O 3.26Å; F45-E58 WeakPolarHBondContact CA-O 3.25Å; F45-E59 HydrophobicContact CD1-CB 3.8Å; F45-E59 HydrophobicContact CD1-CG 4.28Å; F45-E59 HydrophobicContact CE1-CB 3.68Å; F45-E59 HydrophobicContact CE1-CG 3.98Å; F45-E59 WeakPolarHBondContact CE1-OE2 3.41Å; F45-E59 HydrophobicContact CZ-CG 4.34Å; F45-E59 VanDerWaalsContact CZ-OE2 3.31Å; F45-E59 WeakPolarHBondContact CZ-OE2 3.2Å; F45-S76 CarbonylContact O-C 3.46Å; F45-S76 WeakPolarHBondContact O-CA 3.44Å; F45-S76 WeakPolarHBondContact O-CB 3.48Å; F45-S76 PolarHBondContact O-OG 3.12Å; F45-W77 HydrophobicContact CB-CB 4.34Å; F45-W77 PolarHBondContact N-O 3.2Å; F45-W77 PolarHBondContact O-N 2.99Å; F45-V79 HydrophobicContact CD2-CG2 3.91Å; F45-V79 HydrophobicContact CE2-CB 4.1Å; F45-V79 HydrophobicContact CE2-CG2 3.67Å
46	F	95.9	Very high	88.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.2	-176.7	-63.5	-84.7	0	0	0	112.4	L30 F33 F44 S48 K57 E58 I60 L67 P68 V74 I75 S76	L30-F46 HydrophobicContact CD1-CE2 3.92Å; L30-F46 HydrophobicContact CD1-CZ 3.71Å; F33-F46 AromaticContact CD1-CE1 3.92Å; F33-F46 HydrophobicContact CD1-CE1 3.92Å; F33-F46 AromaticContact CD1-CZ 3.84Å; F33-F46 HydrophobicContact CD1-CZ 3.84Å; F33-F46 AromaticContact CE1-CE1 3.89Å; F33-F46 HydrophobicContact CE1-CE1 3.89Å; F33-F46 HydrophobicContact CE1-CZ 4Å; F44-F46 HydrophobicContact CB-CE2 3.64Å; F44-F46 HydrophobicContact CB-CZ 3.99Å; F44-F46 HydrophobicContact CD1-CZ 4.48Å; F46-S48 PolarHBondContact O-N 3.43Å; F46-S48 VanDerWaalsContact O-N 3.07Å; F46-K57 CarbonylContact O-C 3.57Å; F46-K57 WeakPolarHBondContact O-CA 3.14Å; F46-E58 PolarHBondContact N-O 3.01Å; F46-E58 PolarHBondContact O-N 2.86Å; F46-I60 HydrophobicContact CB-CD1 4.3Å; F46-I60 HydrophobicContact CD2-CB 3.8Å; F46-I60 HydrophobicContact CD2-CD1 3.63Å; F46-I60 HydrophobicContact CD2-CG1 3.71Å; F46-I60 HydrophobicContact CE2-CB 3.85Å; F46-I60 HydrophobicContact CE2-CD1 4.28Å; F46-I60 HydrophobicContact CE2-CG1 4.28Å; F46-I60 HydrophobicContact CG-CD1 4.14Å; F46-L67 HydrophobicContact CD1-CD2 4.24Å; F46-L67 HydrophobicContact CD2-CD2 4.43Å; F46-L67 HydrophobicContact CE1-CD1 4Å; F46-L67 HydrophobicContact CE1-CD2 3.73Å; F46-L67 HydrophobicContact CE1-CG 4.37Å; F46-L67 HydrophobicContact CE2-CD2 3.94Å; F46-L67 HydrophobicContact CZ-CD1 4.37Å; F46-L67 HydrophobicContact CZ-CD2 3.56Å; F46-P68 HydrophobicContact CB-CG 3.89Å; F46-V74 HydrophobicContact CD1-CG1 3.52Å; F46-V74 HydrophobicContact CE1-CG1 3.94Å; F46-I75 WeakPolarHBondContact CA-O 3.44Å; F46-S76 WeakPolarHBondContact CE1-OG 3.5Å
47	K	94.9	Very high	88.4	Confident	32 Å²	32	63.3 Å²	63.3	14%	0.139	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	91.5	174.4	-170.4	-174.5	-176.3	-67.8	0	109.9	V55 V56 F70 I75 W77 R946	K47-V55 HydrophobicContact CD-CG1 4.15Å; K47-V55 HydrophobicContact CG-CG1 3.46Å; K47-V55 VanDerWaalsContact CG-CG1 3.46Å; K47-V56 WeakPolarHBondContact CA-O 3.31Å; K47-F70 VanDerWaalsContact O-CE2 3.22Å; K47-F70 WeakPolarHBondContact O-CE2 3.38Å; K47-I75 HydrophobicContact CB-CB 3.93Å; K47-I75 HydrophobicContact CB-CG2 4.26Å; K47-I75 HydrophobicContact CD-CD1 4.05Å; K47-I75 PolarHBondContact N-O 3.35Å; K47-W77 HydrophobicContact CB-CH2 4.05Å; K47-W77 HydrophobicContact CB-CZ3 3.86Å; K47-R946 VanDerWaalsContact CE-O 3.29Å; K47-R946 WeakPolarHBondContact CE-O 3.45Å
48	S	92.8	Very high	88.8	Confident	6 Å²	6	66.3 Å²	66.3	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-176.1	175.2	71.2	0	0	0	0	112.2	F46 V55 V56 E58	F46-S48 PolarHBondContact O-N 3.43Å; F46-S48 VanDerWaalsContact O-N 3.07Å; S48-V55 CarbonylContact O-C 3.59Å; S48-V55 VanDerWaalsContact O-CA 3.31Å; S48-V55 WeakPolarHBondContact O-CA 3.45Å; S48-V55 WeakPolarHBondContact O-CG1 3.11Å; S48-V56 PolarHBondContact N-O 3.41Å; S48-V56 VanDerWaalsContact N-O 3.12Å; S48-V56 PolarHBondContact O-N 2.83Å; S48-V56 VanDerWaalsContact OG-CG2 3.23Å; S48-V56 WeakPolarHBondContact OG-CG2 3.33Å; S48-E58 WeakPolarHBondContact CB-OE2 3.36Å; S48-E58 VanDerWaalsContact OG-CB 3.3Å; S48-E58 WeakPolarHBondContact OG-CB 3.36Å; S48-E58 PolarHBondContact OG-OE2 2.69Å
49	V	91	Very high	89.6	Confident	34 Å²	34	63.8 Å²	63.8	21%	0.206	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.8	174.8	177.5	0	0	0	0	108.7	G54 V55 F70 C950 N951	V49-G54 CarbonylContact C-O 3.59Å; V49-G54 WeakPolarHBondContact CA-O 3.3Å; V49-V55 HydrophobicContact CG2-CB 4.49Å; V49-V55 HydrophobicContact CG2-CG1 4.42Å; V49-V55 HydrophobicContact CG2-CG2 4.2Å; V49-F70 HydrophobicContact CB-CZ 4.17Å; V49-F70 HydrophobicContact CG2-CE1 3.73Å; V49-F70 HydrophobicContact CG2-CZ 3.54Å; V49-C950 HydrophobicContact CG2-CB 4.04Å; V49-N951 HydrophobicContact CG1-CB 4.24Å; V49-N951 WeakPolarHBondContact CG1-ND2 3.29Å
50	D	91.7	Very high	90.7	Very high	57 Å²	57	58.5 Å²	58.5	31%	0.305	31%	0.308	S	S	.	.			trans	-72.3	161.9	166.3	179.3	-105.3	0	0	0	111	D52 F53 G54 V56	D50-D52 PolarHBondContact OD1-N 3.39Å; D50-F53 WeakPolarHBondContact OD1-CD2 3.26Å; D50-F53 PolarHBondContact OD1-N 3.08Å; D50-G54 CarbonylContact C-O 3.6Å; D50-G54 WeakPolarHBondContact CA-O 3.34Å; D50-G54 PolarHBondContact N-O 2.98Å; D50-G54 VanDerWaalsContact O-O 3.09Å; D50-V56 HydrophobicContact CB-CG1 3.88Å; D50-V56 HydrophobicContact CB-CG2 4.17Å
51	A	90	Very high	91.9	Very high	87 Å²	87	57 Å²	57	72%	0.719	31%	0.305	S	S	*	.	S	Bend	trans	-77	-35.8	-179	0	0	0	0	0	113.4
52	D	89.7	Confident	92.4	Very high	144 Å²	144	56.7 Å²	56.7	77%	0.77	30%	0.303	S	S	*	.	S	Bend	trans	-106.5	-41.5	-167.2	-61.8	-39.7	0	0	0	111.9	D50	D50-D52 PolarHBondContact OD1-N 3.39Å
53	F	86.9	Confident	92.5	Very high	175 Å²	175	58.6 Å²	58.6	77%	0.768	32%	0.316	S	S	*	.	S	Bend	trans	-87.1	-6.2	179.2	-63.2	-78.3	0	0	0	113.7	D50 V56	D50-F53 WeakPolarHBondContact OD1-CD2 3.26Å; D50-F53 PolarHBondContact OD1-N 3.08Å; F53-V56 HydrophobicContact CB-CG1 4.12Å
54	G	89.1	Confident	92.6	Very high	12 Å²	12	60.8 Å²	60.8	12%	0.124	33%	0.332	C	S	.	.	S	Bend	trans	78.1	-129.3	-172.6	0	0	0	0	0	111	V49 D50 N949	V49-G54 CarbonylContact C-O 3.59Å; V49-G54 WeakPolarHBondContact CA-O 3.3Å; D50-G54 CarbonylContact C-O 3.6Å; D50-G54 WeakPolarHBondContact CA-O 3.34Å; D50-G54 PolarHBondContact N-O 2.98Å; D50-G54 VanDerWaalsContact O-O 3.09Å; G54-N949 WeakPolarHBondContact CA-OD1 3.3Å
55	V	91.5	Very high	92.5	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	149.1	177.5	-163.8	0	0	0	0	109.8	K47 S48 V49 Q947 T948	K47-V55 HydrophobicContact CD-CG1 4.15Å; K47-V55 HydrophobicContact CG-CG1 3.46Å; K47-V55 VanDerWaalsContact CG-CG1 3.46Å; S48-V55 CarbonylContact O-C 3.59Å; S48-V55 VanDerWaalsContact O-CA 3.31Å; S48-V55 WeakPolarHBondContact O-CA 3.45Å; S48-V55 WeakPolarHBondContact O-CG1 3.11Å; V49-V55 HydrophobicContact CG2-CB 4.49Å; V49-V55 HydrophobicContact CG2-CG1 4.42Å; V49-V55 HydrophobicContact CG2-CG2 4.2Å; V55-Q947 HydrophobicContact CB-CB 4.42Å; V55-Q947 HydrophobicContact CB-CG 3.85Å; V55-Q947 HydrophobicContact CG1-CG 4.48Å; V55-Q947 WeakPolarHBondContact CG2-O 3.3Å; V55-Q947 WeakPolarHBondContact O-CG 3.42Å; V55-Q947 PolarHBondContact O-NE2 2.95Å; V55-Q947 VanDerWaalsContact O-NE2 3.08Å; V55-T948 WeakPolarHBondContact CG2-O 2.96Å
56	V	92.4	Very high	92.4	Very high	30 Å²	30	67.5 Å²	67.5	18%	0.182	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	166.6	167.1	-64.9	0	0	0	0	112.7	K47 S48 D50 F53 E58 F945 Q947	K47-V56 WeakPolarHBondContact CA-O 3.31Å; S48-V56 PolarHBondContact N-O 3.41Å; S48-V56 VanDerWaalsContact N-O 3.12Å; S48-V56 PolarHBondContact O-N 2.83Å; S48-V56 VanDerWaalsContact OG-CG2 3.23Å; S48-V56 WeakPolarHBondContact OG-CG2 3.33Å; D50-V56 HydrophobicContact CB-CG1 3.88Å; D50-V56 HydrophobicContact CB-CG2 4.17Å; F53-V56 HydrophobicContact CB-CG1 4.12Å; V56-E58 HydrophobicContact CG2-CB 4.21Å; V56-F945 HydrophobicContact CB-CE1 4.13Å; V56-Q947 PolarHBondContact O-NE2 3.18Å
57	K	94.4	Very high	92.3	Very high	56 Å²	56	68 Å²	68	24%	0.243	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	103.6	154.7	-61.1	-172.3	-169.8	173.6	0	106.9	F45 F46 W77 F945	F45-K57 HydrophobicContact CB-CB 4.4Å; F46-K57 CarbonylContact O-C 3.57Å; F46-K57 WeakPolarHBondContact O-CA 3.14Å; K57-W77 HydrophobicContact CD-CD2 3.98Å; K57-W77 HydrophobicContact CD-CE3 3.86Å; K57-W77 HydrophobicContact CD-CG 4.48Å; K57-W77 HydrophobicContact CD-CZ3 4.15Å; K57-W77 HydrophobicContact CG-CD2 4.47Å; K57-W77 HydrophobicContact CG-CE3 3.88Å; K57-W77 HydrophobicContact CG-CH2 4.17Å; K57-W77 HydrophobicContact CG-CZ3 3.72Å; K57-F945 HydrophobicContact CB-CD2 4.39Å; K57-F945 HydrophobicContact CB-CE1 4.18Å; K57-F945 HydrophobicContact CB-CE2 3.61Å; K57-F945 HydrophobicContact CB-CZ 3.49Å; K57-F945 VanDerWaalsContact CB-CZ 3.49Å; K57-F945 HydrophobicContact CD-CD2 3.88Å; K57-F945 HydrophobicContact CD-CE2 3.61Å; K57-F945 HydrophobicContact CD-CZ 4.38Å; K57-F945 HydrophobicContact CG-CD2 3.78Å; K57-F945 HydrophobicContact CG-CE1 4.37Å; K57-F945 HydrophobicContact CG-CE2 3.48Å; K57-F945 VanDerWaalsContact CG-CE2 3.48Å; K57-F945 HydrophobicContact CG-CG 4.34Å; K57-F945 HydrophobicContact CG-CZ 3.81Å
58	E	94.9	Very high	92.2	Very high	88 Å²	88	67.3 Å²	67.3	41%	0.411	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130	179.8	178.2	-179.1	167.4	0	0	110.1	F45 F46 S48 V56 I60	F45-E58 CarbonylContact C-O 3.48Å; F45-E58 VanDerWaalsContact CA-O 3.26Å; F45-E58 WeakPolarHBondContact CA-O 3.25Å; F46-E58 PolarHBondContact N-O 3.01Å; F46-E58 PolarHBondContact O-N 2.86Å; S48-E58 WeakPolarHBondContact CB-OE2 3.36Å; S48-E58 VanDerWaalsContact OG-CB 3.3Å; S48-E58 WeakPolarHBondContact OG-CB 3.36Å; S48-E58 PolarHBondContact OG-OE2 2.69Å; V56-E58 HydrophobicContact CG2-CB 4.21Å; E58-I60 HydrophobicContact CG-CG1 4.1Å
59	E	95.3	Very high	92	Very high	90 Å²	90	68.9 Å²	68.9	42%	0.421	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.3	172.2	-170	174.5	139.5	0	0	109.7	K43 F45	K43-E59 WeakPolarHBondContact CE-OE1 3.22Å; K43-E59 IonicContact NZ-OE1 3.15Å; K43-E59 PolarHBondContact NZ-OE1 2.66Å; K43-E59 IonicContact NZ-OE2 3.28Å; K43-E59 PolarHBondContact NZ-OE2 3.07Å; F45-E59 HydrophobicContact CD1-CB 3.8Å; F45-E59 HydrophobicContact CD1-CG 4.28Å; F45-E59 HydrophobicContact CE1-CB 3.68Å; F45-E59 HydrophobicContact CE1-CG 3.98Å; F45-E59 WeakPolarHBondContact CE1-OE2 3.41Å; F45-E59 HydrophobicContact CZ-CG 4.34Å; F45-E59 VanDerWaalsContact CZ-OE2 3.31Å; F45-E59 WeakPolarHBondContact CZ-OE2 3.2Å
60	I	93.6	Very high	91.7	Very high	14 Å²	14	70.7 Å²	70.7	7%	0.072	38%	0.379	C	S	.	.			trans	-115.2	113.6	175.9	-53.9	179.5	0	0	0	107.6	L30 F44 F46 E58 A65 P68	L30-I60 HydrophobicContact CD2-CG2 4.25Å; L30-I60 WeakPolarHBondContact CD2-O 3.45Å; F44-I60 PolarHBondContact O-N 2.94Å; F46-I60 HydrophobicContact CB-CD1 4.3Å; F46-I60 HydrophobicContact CD2-CB 3.8Å; F46-I60 HydrophobicContact CD2-CD1 3.63Å; F46-I60 HydrophobicContact CD2-CG1 3.71Å; F46-I60 HydrophobicContact CE2-CB 3.85Å; F46-I60 HydrophobicContact CE2-CD1 4.28Å; F46-I60 HydrophobicContact CE2-CG1 4.28Å; F46-I60 HydrophobicContact CG-CD1 4.14Å; E58-I60 HydrophobicContact CG-CG1 4.1Å; I60-A65 HydrophobicContact CG2-CB 3.5Å; I60-A65 VanDerWaalsContact CG2-CB 3.5Å; I60-P68 HydrophobicContact CD1-CG 4Å
61	A	92.3	Very high	91.3	Very high	72 Å²	72	76.1 Å²	76.1	60%	0.595	41%	0.408	S	S	*	.			trans	-100.3	-33.1	-177.2	0	0	0	0	0	113.6	L30 K34	L30-A61 VanDerWaalsContact CD2-C 3.49Å; L30-A61 WeakPolarHBondContact CD2-O 3.49Å; K34-A61 PolarHBondContact NZ-O 2.84Å; K34-A61 VanDerWaalsContact NZ-O 3.14Å
62	D	92.2	Very high	90.9	Very high	104 Å²	104	73.3 Å²	73.3	56%	0.556	39%	0.387	S	S	*	.			trans	-74.5	132.3	-175.8	-176.8	9.3	0	0	0	112.2	L30 D64 A65	L30-D62 WeakPolarHBondContact CB-O 3.1Å; L30-D62 VanDerWaalsContact CD2-O 3.25Å; L30-D62 WeakPolarHBondContact CD2-O 3.39Å; D62-D64 PolarHBondContact OD1-N 3.11Å; D62-A65 HydrophobicContact CB-CB 4.22Å; D62-A65 WeakPolarHBondContact O-CB 3.36Å; D62-A65 PolarHBondContact O-N 3.09Å
63	D	93	Very high	90.9	Very high	78 Å²	78	71.6 Å²	71.6	42%	0.417	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-29.6	-173.7	-74.6	-27	0	0	0	113.4	T29 G31 K34 A65	T29-D63 WeakPolarHBondContact CB-O 3.25Å; T29-D63 PolarHBondContact OG1-O 2.93Å; G31-D63 PolarHBondContact N-O 3.3Å; K34-D63 WeakPolarHBondContact CD-OD1 3.4Å; K34-D63 WeakPolarHBondContact CE-OD1 3.36Å; K34-D63 IonicContact NZ-OD1 2.8Å; K34-D63 PolarHBondContact NZ-OD1 2.85Å; D63-A65 VanDerWaalsContact C-N 3.3Å
64	D	93.3	Very high	91.3	Very high	138 Å²	138	63.2 Å²	63.2	74%	0.738	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.1	178	-76.8	-35.2	0	0	0	112.8	D62	D62-D64 PolarHBondContact OD1-N 3.11Å
65	A	92.9	Very high	91.6	Very high	27 Å²	27	65.3 Å²	65.3	22%	0.223	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-69.1	136.8	-179.8	0	0	0	0	0	112.3	T29 L30 I60 D62 D63	T29-A65 CarbonylContact C-O 3.58Å; T29-A65 WeakPolarHBondContact CA-O 3.29Å; T29-A65 WeakPolarHBondContact CB-O 3.46Å; L30-A65 PolarHBondContact N-O 3.25Å; I60-A65 HydrophobicContact CG2-CB 3.5Å; I60-A65 VanDerWaalsContact CG2-CB 3.5Å; D62-A65 HydrophobicContact CB-CB 4.22Å; D62-A65 WeakPolarHBondContact O-CB 3.36Å; D62-A65 PolarHBondContact O-N 3.09Å; D63-A65 VanDerWaalsContact C-N 3.3Å
66	R	92.7	Very high	91.7	Very high	171 Å²	171	65.2 Å²	65.2	65%	0.645	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-80.6	137.7	179.3	-64.8	179.8	-171.4	-108.5	-14.8	111.1	N26 V28	N26-R66 PolarHBondContact O-NH1 3.41Å; V28-R66 WeakPolarHBondContact O-CA 3.02Å
67	L	94.5	Very high	91.9	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-79.8	143.7	-175	-58.5	-175.3	0	0	0	113.1	I6 V28 L30 F33 F46 C69 V74	I6-L67 HydrophobicContact CD1-CD1 3.57Å; V28-L67 HydrophobicContact CG1-CB 4.23Å; V28-L67 HydrophobicContact CG2-CD1 4.18Å; V28-L67 PolarHBondContact O-N 3.05Å; V28-L67 VanDerWaalsContact O-N 3.08Å; L30-L67 HydrophobicContact CB-CD2 4.05Å; L30-L67 HydrophobicContact CD1-CD2 4.43Å; F33-L67 HydrophobicContact CB-CD1 3.95Å; F33-L67 HydrophobicContact CD1-CD1 4.34Å; F33-L67 HydrophobicContact CG-CD1 4.41Å; F46-L67 HydrophobicContact CD1-CD2 4.24Å; F46-L67 HydrophobicContact CD2-CD2 4.43Å; F46-L67 HydrophobicContact CE1-CD1 4Å; F46-L67 HydrophobicContact CE1-CD2 3.73Å; F46-L67 HydrophobicContact CE1-CG 4.37Å; F46-L67 HydrophobicContact CE2-CD2 3.94Å; F46-L67 HydrophobicContact CZ-CD1 4.37Å; F46-L67 HydrophobicContact CZ-CD2 3.56Å; L67-C69 PolarHBondContact O-N 3.06Å; L67-V74 HydrophobicContact CB-CG1 4.19Å; L67-V74 HydrophobicContact CB-CG2 3.92Å; L67-V74 HydrophobicContact CD1-CG1 4.45Å
68	P	92.5	Very high	91.9	Very high	19 Å²	19	62.8 Å²	62.8	12%	0.123	33%	0.33	C	S	.	.			trans	-62.6	98.2	175.9	-24	33.8	0	0	0	113.2	F46 I60 F70	F46-P68 HydrophobicContact CB-CG 3.89Å; I60-P68 HydrophobicContact CD1-CG 4Å; P68-F70 HydrophobicContact CB-CE2 3.94Å
69	C	88.1	Confident	91.7	Very high	39 Å²	39	61 Å²	61	26%	0.264	33%	0.325	S	S	.	.			trans	-98.8	115.4	-176.1	-91	0	0	0	0	112.9	P25 L67 K73 V74	P25-C69 HydrophobicContact CB-CB 4.15Å; P25-C69 PolarHBondContact O-SG 3.13Å; L67-C69 PolarHBondContact O-N 3.06Å; C69-K73 WeakPolarHBondContact CA-O 3.16Å; C69-V74 WeakPolarHBondContact SG-CG2 3.17Å
70	F	85.4	Confident	91.4	Very high	71 Å²	71	58 Å²	58	31%	0.311	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-115.6	118.7	175.2	-64.5	-89.2	0	0	0	110.3	K47 V49 P68 G72 K73 C950	K47-F70 VanDerWaalsContact O-CE2 3.22Å; K47-F70 WeakPolarHBondContact O-CE2 3.38Å; V49-F70 HydrophobicContact CB-CZ 4.17Å; V49-F70 HydrophobicContact CG2-CE1 3.73Å; V49-F70 HydrophobicContact CG2-CZ 3.54Å; P68-F70 HydrophobicContact CB-CE2 3.94Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 2.89Å; F70-K73 PolarHBondContact N-O 2.88Å; F70-K73 PolarHBondContact O-N 2.86Å; F70-C950 HydrophobicContact CD1-CB 4.4Å; F70-C950 HydrophobicContact CE1-CB 4.17Å
71	N	82	Confident	90.5	Very high	171 Å²	171	59.5 Å²	59.5	91%	0.914	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	41.9	-178.2	-65.4	-23.3	0	0	0	114	K73	N71-K73 VanDerWaalsContact C-N 3.3Å; N71-K73 PolarHBondContact O-N 2.78Å
72	G	82.7	Confident	89.3	Confident	28 Å²	28	62.8 Å²	62.8	29%	0.289	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	17.7	-179.4	0	0	0	0	0	114.8	K5 F70	K5-G72 PolarHBondContact N-O 2.85Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 2.89Å
73	K	89.8	Confident	87.4	Confident	108 Å²	108	61.5 Å²	61.5	47%	0.47	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.2	177.1	-56.6	177	-174.8	177.1	0	110.9	K5 I7 C69 F70 N71	K5-K73 HydrophobicContact CB-CG 4.46Å; K5-K73 VanDerWaalsContact O-CA 3.26Å; K5-K73 WeakPolarHBondContact O-CA 3.31Å; I7-K73 HydrophobicContact CD1-CD 4.33Å; C69-K73 WeakPolarHBondContact CA-O 3.16Å; F70-K73 PolarHBondContact N-O 2.88Å; F70-K73 PolarHBondContact O-N 2.86Å; N71-K73 VanDerWaalsContact C-N 3.3Å; N71-K73 PolarHBondContact O-N 2.78Å
74	V	94.4	Very high	84.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.3	163.5	-178.4	0	0	0	0	107.5	T4 K5 I6 I7 F46 L67 C69	T4-V74 HydrophobicContact CG2-CG2 4.01Å; K5-V74 PolarHBondContact O-N 3.45Å; I6-V74 HydrophobicContact CB-CB 4.25Å; I6-V74 HydrophobicContact CD1-CB 4.42Å; I6-V74 HydrophobicContact CD1-CG2 4.4Å; I6-V74 HydrophobicContact CG1-CB 3.94Å; I6-V74 HydrophobicContact CG1-CG2 4.12Å; I6-V74 HydrophobicContact CG2-CB 4.01Å; I6-V74 HydrophobicContact CG2-CG1 4.1Å; I7-V74 PolarHBondContact N-O 3.3Å; F46-V74 HydrophobicContact CD1-CG1 3.52Å; F46-V74 HydrophobicContact CE1-CG1 3.94Å; L67-V74 HydrophobicContact CB-CG1 4.19Å; L67-V74 HydrophobicContact CB-CG2 3.92Å; L67-V74 HydrophobicContact CD1-CG1 4.45Å; C69-V74 WeakPolarHBondContact SG-CG2 3.17Å
75	I	94.8	Very high	82.5	Confident	56 Å²	56	62.3 Å²	62.3	29%	0.287	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.5	168.3	-63.5	173.6	0	0	0	107.9	I7 F46 K47 W77	I7-I75 HydrophobicContact CB-CG1 4.47Å; I7-I75 CarbonylContact O-C 3.47Å; I7-I75 VanDerWaalsContact O-CA 3.31Å; I7-I75 WeakPolarHBondContact O-CA 3.43Å; F46-I75 WeakPolarHBondContact CA-O 3.44Å; K47-I75 HydrophobicContact CB-CB 3.93Å; K47-I75 HydrophobicContact CB-CG2 4.26Å; K47-I75 HydrophobicContact CD-CD1 4.05Å; K47-I75 PolarHBondContact N-O 3.35Å; I75-W77 HydrophobicContact CG2-CH2 3.81Å; I75-W77 HydrophobicContact CG2-CZ2 4.17Å; I75-W77 HydrophobicContact CG2-CZ3 4.07Å
76	S	94.8	Very high	79.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.1	-176.5	-172.9	0	0	0	0	112.7	I7 Y8 H9 F45 F46	I7-S76 PolarHBondContact O-N 3.27Å; Y8-S76 WeakPolarHBondContact CA-O 3.28Å; H9-S76 PolarHBondContact N-O 2.81Å; H9-S76 VanDerWaalsContact N-O 3.1Å; H9-S76 PolarHBondContact ND1-O 2.85Å; F45-S76 CarbonylContact O-C 3.46Å; F45-S76 WeakPolarHBondContact O-CA 3.44Å; F45-S76 WeakPolarHBondContact O-CB 3.48Å; F45-S76 PolarHBondContact O-OG 3.12Å; F46-S76 WeakPolarHBondContact CE1-OG 3.5Å
77	W	95.4	Very high	77.3	Confident	33 Å²	33	65.5 Å²	65.5	13%	0.125	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.2	165.8	-62.3	-98.6	0	0	0	107.7	H9 F45 K47 K57 I75	H9-W77 HydrophobicContact CB-CG 4.48Å; H9-W77 AromaticContact CE1-NE1 3.8Å; H9-W77 AromaticContact CG-CD1 3.79Å; H9-W77 AromaticContact CG-NE1 3.77Å; H9-W77 AromaticContact ND1-CD1 3.62Å; H9-W77 AromaticContact ND1-CE2 3.81Å; H9-W77 AromaticContact ND1-NE1 3.4Å; H9-W77 PolarHBondContact ND1-NE1 2.69Å; F45-W77 HydrophobicContact CB-CB 4.34Å; F45-W77 PolarHBondContact N-O 3.2Å; F45-W77 PolarHBondContact O-N 2.99Å; K47-W77 HydrophobicContact CB-CH2 4.05Å; K47-W77 HydrophobicContact CB-CZ3 3.86Å; K57-W77 HydrophobicContact CD-CD2 3.98Å; K57-W77 HydrophobicContact CD-CE3 3.86Å; K57-W77 HydrophobicContact CD-CG 4.48Å; K57-W77 HydrophobicContact CD-CZ3 4.15Å; K57-W77 HydrophobicContact CG-CD2 4.47Å; K57-W77 HydrophobicContact CG-CE3 3.88Å; K57-W77 HydrophobicContact CG-CH2 4.17Å; K57-W77 HydrophobicContact CG-CZ3 3.72Å; I75-W77 HydrophobicContact CG2-CH2 3.81Å; I75-W77 HydrophobicContact CG2-CZ2 4.17Å; I75-W77 HydrophobicContact CG2-CZ3 4.07Å
78	L	94.8	Very high	74.7	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.016	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.4	174.5	-86.5	59.9	0	0	0	107.3	Y8 H9 D11 F33 L37 Y42 K43 F44	Y8-L78 HydrophobicContact CD2-CD1 4.28Å; Y8-L78 HydrophobicContact CD2-CD2 4.1Å; Y8-L78 HydrophobicContact CE2-CD2 4.41Å; H9-L78 PolarHBondContact O-N 3.03Å; D11-L78 PolarHBondContact N-O 3.46Å; F33-L78 HydrophobicContact CE1-CD1 3.98Å; F33-L78 HydrophobicContact CZ-CD1 3.96Å; L37-L78 HydrophobicContact CD1-CD2 3.87Å; L37-L78 HydrophobicContact CD2-CD2 4.5Å; Y42-L78 HydrophobicContact CD1-CB 3.67Å; Y42-L78 HydrophobicContact CD1-CD2 4.39Å; Y42-L78 HydrophobicContact CD1-CG 4.33Å; Y42-L78 HydrophobicContact CD2-CD2 4.18Å; Y42-L78 HydrophobicContact CE1-CB 4.28Å; Y42-L78 HydrophobicContact CG-CB 3.97Å; Y42-L78 HydrophobicContact CG-CD2 4.07Å; Y42-L78 HydrophobicContact CG-CG 4.13Å; K43-L78 WeakPolarHBondContact O-CA 3.22Å; F44-L78 HydrophobicContact CD1-CD1 3.71Å; F44-L78 HydrophobicContact CD1-CG 3.85Å; F44-L78 HydrophobicContact CE1-CD1 3.88Å; F44-L78 HydrophobicContact CE1-CD2 3.95Å; F44-L78 HydrophobicContact CE1-CG 3.69Å; F44-L78 HydrophobicContact CZ-CG 4.5Å
79	V	92	Very high	72.2	Confident	50 Å²	50	78 Å²	78	30%	0.303	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.2	174	-179.2	0	0	0	0	108.4	D11 Y42 K43 F45 A81	D11-V79 WeakPolarHBondContact OD1-CA 3.34Å; Y42-V79 CarbonylContact C-O 3.5Å; Y42-V79 WeakPolarHBondContact CA-O 3.12Å; K43-V79 HydrophobicContact CB-CB 4.48Å; K43-V79 PolarHBondContact N-O 2.86Å; K43-V79 PolarHBondContact O-N 3.22Å; F45-V79 HydrophobicContact CD2-CG2 3.91Å; F45-V79 HydrophobicContact CE2-CB 4.1Å; F45-V79 HydrophobicContact CE2-CG2 3.67Å; V79-A81 PolarHBondContact O-N 2.76Å
80	S	88.2	Confident	70	Confident	27 Å²	27	84 Å²	84	19%	0.189	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	125.4	176	-69.8	0	0	0	0	109.4	D11 Y42 D82 S83	D11-S80 PolarHBondContact OD1-N 3.12Å; D11-S80 PolarHBondContact OD1-OG 3.34Å; D11-S80 WeakPolarHBondContact OD2-CB 3.36Å; D11-S80 PolarHBondContact OD2-OG 2.86Å; Y42-S80 VanDerWaalsContact CE1-OG 3.24Å; Y42-S80 WeakPolarHBondContact CE1-OG 3.26Å; S80-D82 PolarHBondContact O-N 2.65Å; S80-S83 PolarHBondContact O-N 3.46Å; S80-S83 PolarHBondContact O-OG 3.46Å
81	A	74.6	Confident	67.8	Low	46 Å²	46	85.1 Å²	85.1	38%	0.38	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-62	-19.8	-173	0	0	0	0	0	113.7	N41 V79	N41-A81 WeakPolarHBondContact O-CB 3.24Å; N41-A81 PolarHBondContact O-N 2.73Å; N41-A81 VanDerWaalsContact O-N 3.1Å; V79-A81 PolarHBondContact O-N 2.76Å
82	D	66.8	Low	65.6	Low	140 Å²	140	82 Å²	82	75%	0.749	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-88.8	3.3	-175.7	-49.8	-53.1	0	0	0	113.8	S80	S80-D82 PolarHBondContact O-N 2.65Å
83	S	53.3	Low	63.3	Low	77 Å²	77	84.2 Å²	84.2	54%	0.538	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-85.5	-7.4	-174.7	59.7	0	0	0	0	115.4	S80 T85	S80-S83 PolarHBondContact O-N 3.46Å; S80-S83 PolarHBondContact O-OG 3.46Å; S83-T85 PolarHBondContact O-N 2.91Å
84	S	40.1	Very low	60.8	Low	96 Å²	96	85.4 Å²	85.4	67%	0.671	51%	0.507	S	S	*	.			trans	-94.8	73.8	-169.3	65.3	0	0	0	0	115
85	T	42	Very low	58	Low	138 Å²	138	88.7 Å²	88.7	85%	0.847	54%	0.541	S	S	*	.			trans	174.2	97.9	143.2	43.9	0	0	0	0	110	S83	S83-T85 PolarHBondContact O-N 2.91Å
86	K	38.1	Very low	55.1	Low	197 Å²	197	94.6 Å²	94.6	86%	0.857	57%	0.567	S	S	*	*			trans	-157.3	64.1	160.4	-124	168.6	-173.3	176.3	0	112.3
87	S	38.3	Very low	52.2	Low	67 Å²	67	101.8 Å²	101.8	47%	0.469	61%	0.606	S	S	.	*			trans	-125.7	158.1	173.4	-37.1	0	0	0	0	108.5	D940	S87-D940 WeakPolarHBondContact CB-OD2 3.04Å; S87-D940 PolarHBondContact OG-OD2 2.91Å
88	D	39.9	Very low	49.3	Very low	132 Å²	132	109 Å²	109	71%	0.706	64%	0.641	S	S	*	*			trans	72.7	117.6	166	-52.8	-19.3	0	0	0	119.6
89	N	40.9	Very low	46.5	Very low	158 Å²	158	116.1 Å²	116.1	85%	0.845	68%	0.678	S	S	*	*			trans	76.8	121.1	148.4	-63.2	-9.2	0	0	0	122.1
90	H	40.9	Very low	43.9	Very low	165 Å²	165	119.3 Å²	119.3	76%	0.764	70%	0.7	S	S	*	*			trans	-58.3	166.6	153.2	-78.8	-117.3	0	0	0	112.8
91	S	40.9	Very low	41.1	Very low	95 Å²	95	120.8 Å²	120.8	66%	0.664	72%	0.719	S	S	*	*			trans	93.1	91.4	158	-146.2	0	0	0	0	117.5
92	T	35.5	Very low	39.3	Very low	105 Å²	105	125.7 Å²	125.7	64%	0.644	73%	0.734	S	S	*	*				52.3	124.4	127.5	61	0	0	0	0	119.9
93	G	34.5	Very low	37.5	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	73%	0.733	S	S	*	*			trans	143.1	83.8	151.8	0	0	0	0	0	115.6
94	T	37.6	Very low	36.6	Very low	132 Å²	132	129 Å²	129	81%	0.81	74%	0.738	S	S	*	*			trans	-58.4	132.6	161.1	47.7	0	0	0	0	110.7
95	G	33.8	Very low	36.1	Very low	69 Å²	69	130.6 Å²	130.6	71%	0.711	74%	0.739	S	S	*	*			trans	-175.9	79.2	-178.6	0	0	0	0	0	116.5
96	E	35.9	Very low	35.6	Very low	180 Å²	180	128.2 Å²	128.2	84%	0.841	73%	0.728	S	S	*	*			trans	47.1	96.2	146.2	-55.9	-165.9	104.5	0	0	120.8
97	N	33.8	Very low	35.3	Very low	151 Å²	151	124.4 Å²	124.4	81%	0.807	72%	0.722	S	S	*	*				26.9	108.5	112.3	-60.3	-41.7	0	0	0	118.6
98	H	34.4	Very low	35	Very low	185 Å²	185	126.3 Å²	126.3	86%	0.856	73%	0.726	S	S	*	*				-155.9	99.3	126.6	-121.5	-66.4	0	0	0	114.5
99	L	34.7	Very low	34.7	Very low	153 Å²	153	127.5 Å²	127.5	80%	0.801	73%	0.726	S	S	*	*			trans	-70.2	147.4	145.2	-77.9	161.3	0	0	0	107.7
100	P	37.2	Very low	34.5	Very low	117 Å²	117	126 Å²	126	76%	0.76	72%	0.718	S	S	*	*			cis	-129.7	169.9	43	37.6	-21.2	0	0	0	114.1
101	G	30.7	Very low	34.4	Very low	57 Å²	57	127.3 Å²	127.3	59%	0.588	72%	0.721	S	S	*	*			cis	112.6	168.8	9.6	0	0	0	0	0	112.6
102	Q	35.3	Very low	34.3	Very low	150 Å²	150	126.6 Å²	126.6	70%	0.701	72%	0.721	S	S	*	*			trans	71.3	110.3	-165	-48.8	-164.3	17.1	0	0	113.2
103	N	30.3	Very low	34.7	Very low	135 Å²	135	126.6 Å²	126.6	72%	0.722	72%	0.723	S	S	*	*				72.6	150.2	52.7	-167.8	11.4	0	0	0	111.9
104	K	33.8	Very low	34.9	Very low	151 Å²	151	129 Å²	129	66%	0.657	72%	0.718	S	S	*	*			trans	105.3	139.3	169	-62.7	150.7	177.9	168.5	0	115.6
105	N	29.5	Very low	34.8	Very low	129 Å²	129	129.4 Å²	129.4	69%	0.69	72%	0.715	S	S	*	*			cis	-170.4	170.3	-29.8	-136.8	-10	0	0	0	110.1
106	S	31.2	Very low	35.1	Very low	88 Å²	88	132.4 Å²	132.4	62%	0.615	71%	0.714	S	S	*	*			trans	67.9	155.4	155.9	-59.3	0	0	0	0	114.2
107	T	32.1	Very low	35.2	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	71%	0.712	S	S	*	*			cis	-143.2	123.2	40.7	50.2	0	0	0	0	111.2
108	N	32.9	Very low	35.4	Very low	107 Å²	107	129.2 Å²	129.2	57%	0.572	70%	0.703	S	S	*	*				101.1	156.9	92.4	-76	-6	0	0	0	111.8
109	F	33.1	Very low	35.7	Very low	158 Å²	158	127.1 Å²	127.1	69%	0.693	70%	0.703	S	S	*	*			cis	-159.2	159.9	3.4	-123	-31	0	0	0	111.7
110	N	37	Very low	35.9	Very low	127 Å²	127	125.2 Å²	125.2	68%	0.679	70%	0.703	S	S	*	*			trans	68.2	149.1	153.7	-61.8	-35.9	0	0	0	117.3
111	K	37.8	Very low	35.9	Very low	191 Å²	191	129 Å²	129	83%	0.83	71%	0.707	S	S	*	*			cis	-154.4	164.8	-2.1	-126.8	175.5	178.8	-178.9	0	106.7
112	A	39.4	Very low	36.1	Very low	80 Å²	80	132 Å²	132	66%	0.661	71%	0.71	S	S	*	*			cis	-146.3	-165.6	16.6	0	0	0	0	0	110.7
113	P	44.8	Very low	36.1	Very low	105 Å²	105	132.4 Å²	132.4	68%	0.682	71%	0.712	S	S	*	*				-116.1	-176	-118.6	24.5	2.6	0	0	0	112.5
114	D	37.6	Very low	36.6	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	72%	0.715	S	S	*	*				-162.7	146.4	69.8	-77.4	-33.1	0	0	0	114.6
115	N	36	Very low	37.1	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	72%	0.717	S	S	*	*			trans	67.4	142.8	157	-61	-29.4	0	0	0	119.9
116	I	39.8	Very low	37.5	Very low	132 Å²	132	130.3 Å²	130.3	68%	0.677	72%	0.721	S	S	*	*			cis	-163.8	135.8	-14.4	-116.5	162.7	0	0	0	109.8
117	H	39	Very low	37.8	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.806	74%	0.735	S	S	*	*			trans	60.4	155.7	159	-72.7	-127.2	0	0	0	121.9
118	S	37.5	Very low	38.1	Very low	90 Å²	90	138.7 Å²	138.7	63%	0.629	74%	0.742	S	S	*	*			cis	-176	147	-25.4	58.7	0	0	0	0	114.8
119	V	39.9	Very low	38.2	Very low	141 Å²	141	141 Å²	141	86%	0.855	75%	0.749	S	S	*	*			trans	80.1	145.8	158.6	179.3	0	0	0	0	121.6
120	S	39.2	Very low	38.5	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	76%	0.757	S	S	*	*			trans	-172.2	159.8	169.7	-70.2	0	0	0	0	112.9
121	K	37.6	Very low	38.5	Very low	197 Å²	197	140.7 Å²	140.7	86%	0.857	76%	0.761	S	S	*	*			trans	-179.2	136	160.4	-105.5	178.9	-176.4	-170.1	0	119.3
122	N	35	Very low	38.4	Very low	120 Å²	120	140.2 Å²	140.2	64%	0.642	77%	0.765	S	S	*	*			trans	67.9	124.7	134.6	-70.4	32.7	0	0	0	130.4
123	E	34	Very low	38.2	Very low	158 Å²	158	139 Å²	139	74%	0.738	76%	0.761	S	S	*	*				90.9	105.2	123.7	-69.2	170.7	132.9	0	0	127.9
124	I	41.6	Very low	37.9	Very low	154 Å²	154	140.5 Å²	140.5	79%	0.79	77%	0.768	S	S	*	*			trans	8.6	171.9	135.8	30.7	169.2	0	0	0	125.2
125	P	44.9	Very low	37.8	Very low	107 Å²	107	141.3 Å²	141.3	70%	0.695	78%	0.778	S	S	*	*			cis	-142	179.2	-18.6	34.9	-13.2	0	0	0	118.2
126	S	37.2	Very low	37.9	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	78%	0.783	S	S	*	*			trans	135.7	109.7	134.5	-60.9	0	0	0	0	121.6
127	E	38.1	Very low	37.7	Very low	196 Å²	196	141.6 Å²	141.6	92%	0.916	79%	0.794	S	S	*	*			trans	24	135.2	143.2	-51	-174.6	148.7	0	0	126.9
128	Q	37.7	Very low	37.7	Very low	185 Å²	185	136.6 Å²	136.6	86%	0.864	79%	0.789	S	S	*	*				172.6	165.9	112.5	-164.2	155.1	20.3	0	0	113.9
129	E	35.2	Very low	37.8	Very low	156 Å²	156	140 Å²	140	73%	0.729	80%	0.799	S	S	*	*			trans	-105.3	171.7	-163.2	-52.7	166.3	103.7	0	0	117.3
130	H	39	Very low	37.8	Very low	186 Å²	186	142.2 Å²	142.2	86%	0.861	80%	0.801	S	S	*	*				-180	176	127.9	-95.6	81.1	0	0	0	112.9
131	A	38.2	Very low	37.8	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	80%	0.802	S	S	*	*			trans	-141.4	-165.7	-157.4	0	0	0	0	0	117.4
132	I	35	Very low	38	Very low	181 Å²	181	140.9 Å²	140.9	93%	0.928	80%	0.795	S	S	*	*			trans	107.9	151.1	172	-57.1	160.5	0	0	0	115.4
133	G	35.7	Very low	38.1	Very low	55 Å²	55	141.1 Å²	141.1	57%	0.567	80%	0.797	S	S	*	*			trans	-161.8	-145.2	-179.5	0	0	0	0	0	114.7
134	T	38.6	Very low	38.4	Very low	136 Å²	136	139.2 Å²	139.2	83%	0.834	80%	0.796	S	S	*	*			trans	103.8	124.7	171.9	67.6	0	0	0	0	120.9
135	T	35.7	Very low	38.4	Very low	145 Å²	145	136.5 Å²	136.5	89%	0.89	79%	0.79	S	S	*	*			trans	59.6	130.2	144.7	54.6	0	0	0	0	123.8
136	G	36.9	Very low	38.5	Very low	83 Å²	83	137 Å²	137	86%	0.856	79%	0.791	S	S	*	*			trans	179.9	151.8	163.7	0	0	0	0	0	111.3
137	H	35.2	Very low	38.7	Very low	195 Å²	195	139.7 Å²	139.7	90%	0.903	79%	0.791	S	S	*	*			trans	-139.8	145.9	-171.4	-157.1	-79.9	0	0	0	111.2
138	G	40	Very low	38.9	Very low	69 Å²	69	137 Å²	137	71%	0.711	79%	0.788	S	S	*	*			trans	-177.6	159.9	-180	0	0	0	0	0	114
139	L	39.4	Very low	38.9	Very low	161 Å²	161	135.5 Å²	135.5	84%	0.843	79%	0.786	S	S	*	*			trans	-120.2	157.5	-178.8	-65.3	163	0	0	0	109.8
140	E	39.8	Very low	39.2	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	79%	0.791	S	S	*	*				167.1	149.9	127	-90	165.7	-165.6	0	0	115.6
141	E	40.2	Very low	39.2	Very low	177 Å²	177	131 Å²	131	83%	0.827	79%	0.787	S	S	*	*			trans	-6.2	131	168.4	-82.3	177.8	132.5	0	0	127
142	C	40.4	Very low	39	Very low	105 Å²	105	137.1 Å²	137.1	71%	0.709	79%	0.792	S	S	*	*				88.2	146.6	113.5	-138	0	0	0	0	125.9
143	D	37.6	Very low	39	Very low	126 Å²	126	134.1 Å²	134.1	67%	0.674	79%	0.787	S	S	*	*			trans	106.3	119.9	133.3	-103.6	-47.7	0	0	0	125.2
144	T	40.6	Very low	39.1	Very low	117 Å²	117	135.3 Å²	135.3	72%	0.718	80%	0.799	S	S	*	*			trans	32.7	153.3	141	46.3	0	0	0	0	124.4
145	C	41.5	Very low	39.1	Very low	97 Å²	97	136.1 Å²	136.1	66%	0.655	80%	0.799	S	S	*	*			cis	-174.9	164.8	-15.5	55.1	0	0	0	0	114.5
146	V	46.7	Very low	39.2	Very low	119 Å²	119	141 Å²	141	72%	0.721	80%	0.801	S	S	*	*			trans	48.4	164.3	153.1	-61.4	0	0	0	0	123.4
147	E	42.3	Very low	39.4	Very low	165 Å²	165	143.3 Å²	143.3	77%	0.771	80%	0.798	S	S	*	*			cis	-171.4	171.6	-34.5	-99.8	179.5	141.7	0	0	109.7
148	T	41	Very low	39.7	Very low	139 Å²	139	139.8 Å²	139.8	85%	0.853	79%	0.793	S	S	*	*			trans	137.7	144.8	132.7	58	0	0	0	0	118.3
149	D	38.7	Very low	39.7	Very low	154 Å²	154	141.6 Å²	141.6	82%	0.824	79%	0.792	S	S	*	*			trans	-94.1	173.1	-170.1	-62.7	-87.4	0	0	0	117.3
150	S	40.4	Very low	39.7	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	79%	0.786	S	S	*	*				-178.2	-179.1	127.6	43.6	0	0	0	0	113.6
151	V	38.5	Very low	39.6	Very low	128 Å²	128	140.1 Å²	140.1	78%	0.776	78%	0.782	S	S	*	*			trans	-143	151.8	-146	-73.9	0	0	0	0	118.8
152	Y	34.6	Very low	39.5	Very low	220 Å²	220	137.3 Å²	137.3	86%	0.863	77%	0.772	S	S	*	*			trans	76.4	141.2	147.1	-101.7	-78.4	0	0	0	124.6
153	S	34.8	Very low	39.4	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	77%	0.77	S	S	*	*			trans	76.9	135.5	149.5	-68.3	0	0	0	0	123.3
154	G	37.4	Very low	39.5	Very low	80 Å²	80	140.3 Å²	140.3	83%	0.825	77%	0.769	S	S	*	*			trans	155.1	107.5	151.9	0	0	0	0	0	118.8
155	D	38.6	Very low	39.3	Very low	154 Å²	154	140 Å²	140	82%	0.824	76%	0.763	S	S	*	*			trans	-52	150.3	178.5	-62.5	-73.1	0	0	0	119
156	R	39.3	Very low	39.2	Very low	247 Å²	247	147 Å²	147	93%	0.932	78%	0.778	S	S	*	*				174.5	150.3	114.1	-93.2	159.6	-174.3	-179.6	3.7	115.2
157	V	40.6	Very low	38.8	Very low	131 Å²	131	148.7 Å²	148.7	79%	0.794	78%	0.775	S	S	*	*			trans	-139.3	144.3	178.2	177.1	0	0	0	0	111.3
158	P	41	Very low	38.6	Very low	122 Å²	122	149.2 Å²	149.2	79%	0.792	78%	0.777	S	S	*	*			trans	-130.6	158	152.4	19.5	2.2	0	0	0	115.3
159	P	41.1	Very low	38.4	Very low	106 Å²	106	146.1 Å²	146.1	69%	0.688	77%	0.773	S	S	*	*			trans	-138.2	-172	-156.1	30.8	-5.7	0	0	0	117.6
160	L	38	Very low	38.4	Very low	139 Å²	139	142.6 Å²	142.6	73%	0.728	76%	0.761	S	S	*	*			trans	112.6	146.8	146.5	-60.3	174.4	0	0	0	120.6
161	K	39.1	Very low	38.4	Very low	180 Å²	180	147.8 Å²	147.8	78%	0.783	76%	0.762	S	S	*	*			trans	74.9	144.8	167	-60.7	141.5	-176.9	174.9	0	114.3
162	N	37.2	Very low	38.2	Very low	117 Å²	117	149 Å²	149	63%	0.626	76%	0.763	S	S	*	*			cis	-165.7	173.2	0	-112.1	5.5	0	0	0	108.3
163	F	39	Very low	38.3	Very low	154 Å²	154	143 Å²	143	68%	0.675	76%	0.759	S	S	*	*			cis	-164.8	148.8	-1.4	-129.2	1.8	0	0	0	110.5
164	H	39.9	Very low	38.6	Very low	141 Å²	141	146.7 Å²	146.7	65%	0.653	76%	0.76	S	S	*	*			trans	56.2	157.9	144.2	-80.4	45.3	0	0	0	121.9
165	N	35	Very low	38.5	Very low	111 Å²	111	149.8 Å²	149.8	59%	0.594	76%	0.757	S	S	*	*			cis	171.8	124.3	-34.8	-111.1	-36.5	0	0	0	107.8
166	Y	39.1	Very low	38.3	Very low	243 Å²	243	145.1 Å²	145.1	95%	0.953	75%	0.746	S	S	*	*			trans	-152.4	157	149.7	-100.2	-72.5	0	0	0	110.1
167	K	39.7	Very low	38.2	Very low	154 Å²	154	142 Å²	142	67%	0.67	74%	0.742	S	S	*	*			trans	-157.7	158	-134.2	-167.9	-172	170.5	-148.4	0	115
168	H	37.8	Very low	37.8	Very low	176 Å²	176	145.8 Å²	145.8	82%	0.815	74%	0.742	S	S	*	*			trans	79.2	141.9	173.5	-58.3	-87.5	0	0	0	115.4
169	G	36.9	Very low	37.7	Very low	74 Å²	74	145.8 Å²	145.8	76%	0.763	73%	0.734	S	S	*	*			cis	170.8	175.5	-3.7	0	0	0	0	0	111.6
170	S	39.1	Very low	37.3	Very low	81 Å²	81	148.1 Å²	148.1	57%	0.566	74%	0.736	S	S	*	*			cis	-169.9	160.7	-8.4	72.9	0	0	0	0	112.3
171	R	39.2	Very low	37	Very low	229 Å²	229	146.8 Å²	146.8	86%	0.864	73%	0.729	S	S	*	*			trans	74.9	149.2	157	-61.3	165.7	-175.3	170.8	2.1	116.5
172	L	34.6	Very low	36.8	Very low	154 Å²	154	148 Å²	148	81%	0.806	73%	0.73	S	S	*	*			cis	-152.6	135.4	7	-160.5	63.5	0	0	0	114
173	A	37.7	Very low	36.5	Very low	94 Å²	94	149.7 Å²	149.7	78%	0.777	73%	0.734	S	S	*	*			trans	58.3	157.4	152.2	0	0	0	0	0	120.2
174	K	40.3	Very low	36.1	Very low	194 Å²	194	147.8 Å²	147.8	84%	0.843	74%	0.736	S	S	*	*			cis	175.1	135.1	-16.5	169.1	-170	174.2	-173.9	0	104.6
175	L	34.9	Very low	35.6	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	74%	0.737	S	S	*	*			cis	-160.5	159.3	-1.7	-175.4	68.5	0	0	0	104.6
176	G	34	Very low	35.4	Very low	57 Å²	57	145.7 Å²	145.7	59%	0.588	75%	0.746	S	S	*	*			cis	113.9	161.8	13.1	0	0	0	0	0	111.5
177	Q	38.6	Very low	35	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	74%	0.736	S	S	*	*			trans	72.3	133.1	-168.4	-68.3	-172.2	-0.4	0	0	114.5
178	R	31.2	Very low	34.9	Very low	209 Å²	209	139.1 Å²	139.1	79%	0.789	74%	0.74	S	S	*	*			cis	-162.3	136.5	1.3	168.3	179.9	-177.9	-157.3	-2.6	112.5
179	I	39	Very low	35.1	Very low	122 Å²	122	139 Å²	139	63%	0.626	74%	0.742	S	S	*	*			trans	65.3	148.3	164.6	-70.6	166.9	0	0	0	116.6
180	Q	33.5	Very low	34.8	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	74%	0.739	S	S	*	*			cis	146.5	129.7	-32.2	-91	-170.4	-66.4	0	0	111.8
181	N	31.9	Very low	34.7	Very low	112 Å²	112	140.4 Å²	140.4	60%	0.599	74%	0.74	S	S	*	*			trans	67.9	158.6	156.1	-64.3	45.8	0	0	0	116.3	E183	N181-E183 PolarHBondContact ND2-OE2 2.77Å
182	Y	33.5	Very low	34.6	Very low	204 Å²	204	136 Å²	136	80%	0.8	73%	0.734	S	S	*	*			cis	-140.8	142.9	21.3	24.7	-94.2	0	0	0	109.6
183	E	32.1	Very low	35.1	Very low	153 Å²	153	135.9 Å²	135.9	72%	0.715	73%	0.733	S	S	*	*				63.7	142.6	81.2	-61.9	-179	108.6	0	0	114.4	N181	N181-E183 PolarHBondContact ND2-OE2 2.77Å
184	T	30.6	Very low	35.1	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	73%	0.726	S	S	*	*			cis	-162.8	159.2	-9.8	-98.4	0	0	0	0	111.1
185	S	29.5	Very low	34.8	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	72%	0.717	S	S	*	*			trans	-6.9	144.9	167.5	-50	0	0	0	0	123.8
186	S	29.8	Very low	34.9	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	72%	0.717	S	S	*	*				81.6	126.1	125.6	65.4	0	0	0	0	123.9
187	S	31	Very low	34.9	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	71%	0.711	S	S	*	*			trans	89.7	159.6	132.9	-154.5	0	0	0	0	120.3
188	M	38.7	Very low	34.7	Very low	151 Å²	151	132 Å²	132	74%	0.744	71%	0.706	S	S	*	*			trans	97.4	105.7	156.5	-52.9	-154.9	-175.1	0	0	119.5
189	M	40.5	Very low	35.1	Very low	174 Å²	174	130.4 Å²	130.4	86%	0.857	71%	0.706	S	S	*	*			trans	62	151.3	145.6	17.2	-173.3	90.3	0	0	119.8
190	S	30.9	Very low	34.9	Very low	101 Å²	101	131 Å²	131	71%	0.706	71%	0.71	S	S	*	*			cis	-160.6	168	-19.3	-139.1	0	0	0	0	111.9
191	S	37.1	Very low	35.1	Very low	84 Å²	84	127.4 Å²	127.4	59%	0.587	70%	0.702	S	S	*	*			trans	-23.4	156.3	144.8	39.2	0	0	0	0	117.8
192	D	37.9	Very low	35.5	Very low	137 Å²	137	129.9 Å²	129.9	73%	0.733	71%	0.71	S	S	*	*			cis	-165.5	177.1	-7	-89.3	-32	0	0	0	108.2
193	L	43.9	Very low	35.9	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	71%	0.706	S	S	*	*				161.4	144.5	128.5	-84.7	174.5	0	0	0	114
194	E	38.8	Very low	36.5	Very low	137 Å²	137	126.1 Å²	126.1	64%	0.64	70%	0.704	S	S	*	*			trans	-108.9	178	-170.7	-60.3	96.5	144.2	0	0	116.3
195	S	34	Very low	37	Very low	94 Å²	94	125 Å²	125	66%	0.657	70%	0.701	S	S	*	*			trans	84.2	155.2	167.2	-45.8	0	0	0	0	116
196	T	36.1	Very low	37.3	Very low	123 Å²	123	124.5 Å²	124.5	76%	0.755	70%	0.697	S	S	*	*			cis	-135.8	172.1	18.9	52.4	0	0	0	0	115
197	S	34.6	Very low	38	Very low	66 Å²	66	129.1 Å²	129.1	46%	0.462	70%	0.698	S	S	.	*			trans	-93.3	-164.1	173.2	54.3	0	0	0	0	113.8
198	F	34.3	Very low	38.2	Very low	169 Å²	169	133.3 Å²	133.3	74%	0.741	70%	0.703	S	S	*	*			trans	80.2	145.2	-176.3	-63.7	-91.3	0	0	0	115.1
199	F	38.7	Very low	38.1	Very low	177 Å²	177	131.2 Å²	131.2	78%	0.776	70%	0.703	S	S	*	*			cis	-119.5	155.4	-5.2	-79.5	-92.5	0	0	0	108.1
200	D	34.8	Very low	37.9	Very low	135 Å²	135	129.3 Å²	129.3	72%	0.722	70%	0.701	S	S	*	*			cis	80	154.2	44.8	-156	16.6	0	0	0	114.6
201	S	38.8	Very low	38.3	Very low	78 Å²	78	128.2 Å²	128.2	55%	0.545	70%	0.698	S	S	.	*			trans	66.7	109	178.3	-72.3	0	0	0	0	116.8
202	E	40.3	Very low	38.6	Very low	164 Å²	164	131 Å²	131	77%	0.766	71%	0.712	S	S	*	*				81.9	148.3	77.2	94.7	-162.8	53.8	0	0	113.6
203	D	42.8	Very low	38.8	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	71%	0.705	S	S	*	*			cis	-158.7	-173	-1.4	-148.6	-19.3	0	0	0	111.5
204	E	42.9	Very low	38.8	Very low	143 Å²	143	126.5 Å²	126.5	67%	0.668	71%	0.707	S	S	*	*			trans	69.3	104	146.9	-81.9	-65.4	119.7	0	0	120.7
205	S	41.1	Very low	38.9	Very low	92 Å²	92	125.3 Å²	125.3	64%	0.643	71%	0.709	S	S	*	*				67.9	156.7	124.3	-76.8	0	0	0	0	122.1
206	S	36.3	Very low	39.2	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	72%	0.716	S	S	*	*			cis	-161	160.4	-33.4	68.8	0	0	0	0	109.8
207	R	45.7	Very low	39.3	Very low	208 Å²	208	127.2 Å²	127.2	79%	0.785	71%	0.712	S	S	*	*			trans	19.9	121.8	145.3	-54	166.4	-177.7	155.8	0.8	117.4
208	F	34.6	Very low	39.7	Very low	195 Å²	195	129.4 Å²	129.4	86%	0.855	73%	0.727	S	S	*	*				-170.1	150.2	83.3	-105.8	-72.2	0	0	0	113.5
209	S	35.9	Very low	39.8	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	72%	0.721	S	S	*	*			trans	-93.2	175.3	-175.8	-43.9	0	0	0	0	113.3
210	T	36.4	Very low	40.2	Very low	135 Å²	135	124.3 Å²	124.3	83%	0.828	72%	0.718	S	S	*	*				123.4	146.9	127.6	-27.6	0	0	0	0	116.9
211	A	39.8	Very low	40.6	Very low	77 Å²	77	127.5 Å²	127.5	64%	0.636	72%	0.722	S	S	*	*			trans	82.8	77.4	146.1	0	0	0	0	0	120.9
212	T	43.9	Very low	40.8	Very low	142 Å²	142	128.9 Å²	128.9	87%	0.871	73%	0.729	S	S	*	*				36.3	135.5	116	59.8	0	0	0	0	121.6
213	G	40.8	Very low	40.9	Very low	58 Å²	58	132.3 Å²	132.3	60%	0.598	74%	0.735	S	S	*	*				152.1	110.6	116.2	0	0	0	0	0	121.1
214	T	44.6	Very low	40.9	Very low	136 Å²	136	132.9 Å²	132.9	83%	0.834	73%	0.733	S	S	*	*			trans	67.7	159.6	137.8	71.8	0	0	0	0	120.4
215	T	40.6	Very low	40.7	Very low	111 Å²	111	135.9 Å²	135.9	68%	0.681	74%	0.738	S	S	*	*			cis	-162.3	173.1	-39.5	40.8	0	0	0	0	108.8
216	M	40.5	Very low	40.7	Very low	161 Å²	161	143.1 Å²	143.1	79%	0.793	75%	0.751	S	S	*	*			trans	78.3	153.7	161.8	-54	-75.7	93.2	0	0	118.9
217	S	38.1	Very low	40.8	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	75%	0.753	S	S	*	*			cis	-175.1	164.3	-37.4	63.9	0	0	0	0	111.7
218	S	42.4	Very low	40.6	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	75%	0.753	S	S	*	*			trans	78.5	145.1	148.2	-160.7	0	0	0	0	119.5
219	A	37.4	Very low	40.9	Very low	75 Å²	75	147.5 Å²	147.5	62%	0.62	76%	0.755	S	S	*	*			cis	-176.9	-179.3	-24.7	0	0	0	0	0	110.6
220	K	46	Very low	40.9	Very low	164 Å²	164	151.3 Å²	151.3	71%	0.713	76%	0.76	S	S	*	*			trans	90.9	144.2	161.5	-53.5	157.3	177.1	178.5	0	116.3
221	Y	43.6	Very low	40.9	Very low	203 Å²	203	156.2 Å²	156.2	80%	0.796	76%	0.764	S	S	*	*			cis	-141	164.5	-0.7	-84.2	-59.4	0	0	0	112.2
222	P	43	Very low	40.6	Very low	106 Å²	106	163.3 Å²	163.3	69%	0.688	77%	0.774	S	S	*	*			trans	-128.5	167.8	-160.4	43.4	-31	0	0	0	119.4
223	R	43	Very low	40.3	Very low	237 Å²	237	164.7 Å²	164.7	89%	0.894	77%	0.774	S	S	*	*			trans	-169.3	170.8	166.7	-90.9	124.1	-158.6	-138.8	1.5	109.4
224	H	41.5	Very low	40.5	Very low	147 Å²	147	168.9 Å²	168.9	68%	0.681	78%	0.782	S	S	*	*			cis	-176.1	156.4	-41.5	-113.4	30.6	0	0	0	108.6
225	R	39.3	Very low	40.1	Very low	205 Å²	205	168.1 Å²	168.1	77%	0.774	78%	0.78	S	S	*	*			cis	-158	-10.2	-3	-144.6	-177.8	-167.2	175.5	3.2	117.4
226	R	41.3	Very low	40	Very low	245 Å²	245	170.5 Å²	170.5	93%	0.925	79%	0.787	S	S	*	*			trans	-104.4	108.1	-174.6	-74.2	-175	175.9	-167.2	-1.1	111.4
227	Q	38	Very low	39.5	Very low	139 Å²	139	174 Å²	174	65%	0.65	79%	0.791	S	S	*	*				68.9	132.4	76	-69.2	-169.5	24.8	0	0	113.4
228	R	41.1	Very low	39.3	Very low	208 Å²	208	181.1 Å²	181.1	79%	0.785	80%	0.803	S	S	*	*			cis	-165.8	154.9	1.3	-112.8	163	173.1	161.8	-16.9	106.8
229	R	42.2	Very low	38.8	Very low	234 Å²	234	181.9 Å²	181.9	88%	0.883	80%	0.803	S	S	*	*			cis	-141.2	156	8.5	-19.6	162.9	-177.3	177	0	109.9
230	H	34.6	Very low	38.6	Very low	187 Å²	187	182.4 Å²	182.4	87%	0.866	80%	0.802	S	S	*	*			trans	-149.2	148.7	152.3	-119.7	-116.5	0	0	0	107.6
231	R	37.9	Very low	38	Very low	238 Å²	238	183 Å²	183	90%	0.898	81%	0.808	S	S	*	*			trans	-142.8	102.6	166	-83.6	-168	172.3	-164.3	-1.6	107.6
232	R	33	Very low	37.5	Very low	226 Å²	226	181.3 Å²	181.3	85%	0.853	81%	0.812	S	S	*	*				85.8	91.5	76.6	-84.4	-173	179.5	-168.2	-2	111.5
233	I	36.8	Very low	37	Very low	171 Å²	171	180.7 Å²	180.7	88%	0.877	82%	0.816	S	S	*	*			trans	-67.7	145.2	161.8	-61.2	166.9	0	0	0	108.3
234	L	46.5	Very low	36.5	Very low	145 Å²	145	176.4 Å²	176.4	76%	0.759	82%	0.816	S	S	*	*			trans	-123.4	132.3	170.9	-81.9	168	0	0	0	108.8
235	P	36.2	Very low	36.1	Very low	121 Å²	121	175.3 Å²	175.3	79%	0.786	83%	0.826	S	S	*	*			trans	-82	128.7	176.6	32.3	-32.4	0	0	0	110.6
236	I	37	Very low	35.6	Very low	161 Å²	161	175.1 Å²	175.1	83%	0.826	83%	0.831	S	S	*	*			trans	-127	145.7	171.9	-64.4	-176.6	0	0	0	108.8
237	R	31.5	Very low	35	Very low	234 Å²	234	168.1 Å²	168.1	88%	0.883	82%	0.819	S	S	*	*			trans	-93.4	164.9	-168.9	-72	-178	169.7	-170.8	-3.7	113.3	T239	R237-T239 PolarHBondContact O-N 2.9Å
238	R	33.5	Very low	34.5	Very low	245 Å²	245	166.9 Å²	166.9	93%	0.925	83%	0.826	S	S	*	*			trans	-38.7	120.1	169.3	-56.7	172.6	-179.2	172.3	-2.9	114.2
239	T	32.3	Very low	34.1	Very low	128 Å²	128	162.9 Å²	162.9	79%	0.785	82%	0.824	S	S	*	*			trans	-163.7	96.3	140.7	40.6	0	0	0	0	104.8	R237	R237-T239 PolarHBondContact O-N 2.9Å
240	S	32.9	Very low	34.3	Very low	86 Å²	86	158.5 Å²	158.5	60%	0.601	82%	0.824	S	S	*	*				87.2	107.4	75.9	65.1	0	0	0	0	112.6
241	E	33.7	Very low	34.3	Very low	177 Å²	177	156.6 Å²	156.6	83%	0.827	82%	0.82	S	S	*	*			trans	79.8	151.8	149.6	-58.3	159.9	-115.8	0	0	117.7
242	D	32	Very low	33.9	Very low	167 Å²	167	150.9 Å²	150.9	89%	0.893	82%	0.816	S	S	*	*	S	Bend	trans	64.3	39.4	166.1	-58.4	-15.2	0	0	0	122.5
243	A	31.9	Very low	34.2	Very low	93 Å²	93	145.9 Å²	145.9	77%	0.769	81%	0.811	S	S	*	*			trans	-160.4	110.1	156.9	0	0	0	0	0	115.7
244	T	32.8	Very low	34	Very low	147 Å²	147	147 Å²	147	90%	0.902	82%	0.815	S	S	*	*			trans	-133.9	49.8	171.7	49.6	0	0	0	0	113.8	F246	T244-F246 PolarHBondContact O-N 2.62Å
245	S	32.7	Very low	33.9	Very low	125 Å²	125	144.7 Å²	144.7	87%	0.874	81%	0.811	S	S	*	*			trans	-88.9	96.3	174	-69.2	0	0	0	0	112.8
246	F	30.5	Very low	35.2	Very low	201 Å²	201	144.8 Å²	144.8	88%	0.882	80%	0.804	S	S	*	*			trans	17.5	141	151.8	-124.1	-103.7	0	0	0	121.7	T244	T244-F246 PolarHBondContact O-N 2.62Å
247	S	27.6	Very low	37.1	Very low	98 Å²	98	142 Å²	142	69%	0.685	79%	0.791	S	S	*	*			trans	87.6	95	162	-35.3	0	0	0	0	118
248	S	27.9	Very low	39.9	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	77%	0.771	S	S	*	*				167.9	164.1	98.6	51.2	0	0	0	0	114.1
249	V	33.2	Very low	42.6	Very low	125 Å²	125	125.1 Å²	125.1	76%	0.758	74%	0.735	S	S	*	*	S	Bend	trans	87.2	127.3	167.2	-169.2	0	0	0	0	117.2
250	T	46	Very low	45.5	Very low	141 Å²	141	123 Å²	123	87%	0.865	72%	0.722	S	S	*	*			trans	55.5	81.6	173.1	49.1	0	0	0	0	117.9
251	D	34.5	Very low	48.4	Very low	147 Å²	147	118.9 Å²	118.9	79%	0.786	69%	0.694	S	S	*	*			trans	-97.4	112.6	163.7	166	31.4	0	0	0	109.4
252	S	30	Very low	51.3	Low	118 Å²	118	114.1 Å²	114.1	83%	0.825	68%	0.677	S	S	*	*			trans	177	41.7	162.1	-79	0	0	0	0	113.9
253	T	37.7	Very low	54.1	Low	121 Å²	121	106.3 Å²	106.3	74%	0.742	64%	0.635	S	S	*	*	S	Bend	trans	-126.3	142.3	158.4	46.4	0	0	0	0	108.9	S255	T253-S255 PolarHBondContact O-N 3.14Å; T253-S255 PolarHBondContact O-OG 2.89Å; T253-S255 VanDerWaalsContact O-OG 3.11Å
254	M	33.9	Very low	56.7	Low	195 Å²	195	105.6 Å²	105.6	96%	0.961	62%	0.618	S	S	*	*			trans	-65.8	86.7	-163.5	-72.7	166	56.2	0	0	112.7	L256	M254-L256 PolarHBondContact O-N 3.32Å
255	S	43.3	Very low	59.3	Low	97 Å²	97	99.8 Å²	99.8	68%	0.678	58%	0.581	S	S	*	*			trans	-82.2	96.3	-177.5	-61.2	0	0	0	0	110.1	T253 N257	T253-S255 PolarHBondContact O-N 3.14Å; T253-S255 PolarHBondContact O-OG 2.89Å; T253-S255 VanDerWaalsContact O-OG 3.11Å; S255-N257 PolarHBondContact O-N 3.48Å
256	L	65	Low	61.6	Low	122 Å²	122	100.4 Å²	100.4	64%	0.639	58%	0.575	S	S	*	*			trans	-54.5	122.4	160.9	-70.4	175.9	0	0	0	107.9	M254 I258	M254-L256 PolarHBondContact O-N 3.32Å; L256-I258 VanDerWaalsContact C-N 3.3Å; L256-I258 HydrophobicContact CB-CG1 4.32Å; L256-I258 PolarHBondContact O-N 3.15Å
257	N	76.7	Confident	63.8	Low	103 Å²	103	94.5 Å²	94.5	55%	0.551	56%	0.558	S	S	*	*			trans	-77.2	84.2	-178.8	175.2	24.2	0	0	0	109.1	S255 K346	S255-N257 PolarHBondContact O-N 3.48Å; N257-K346 HydrophobicContact CB-CB 4.06Å; N257-K346 HydrophobicContact CB-CG 4.45Å; N257-K346 VanDerWaalsContact O-CB 3.26Å; N257-K346 WeakPolarHBondContact O-CB 3.24Å; N257-K346 VanDerWaalsContact O-CG 3.27Å; N257-K346 WeakPolarHBondContact O-CG 3.42Å; N257-K346 PolarHBondContact O-N 2.9Å
258	I	89	Confident	66.4	Low	89 Å²	89	90.1 Å²	90.1	46%	0.456	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.8	178.3	-60.7	172	0	0	0	109.1	L256 L311 V343 V344 A345	L256-I258 VanDerWaalsContact C-N 3.3Å; L256-I258 HydrophobicContact CB-CG1 4.32Å; L256-I258 PolarHBondContact O-N 3.15Å; I258-L311 HydrophobicContact CD1-CD1 4.02Å; I258-L311 HydrophobicContact CG1-CD1 4.24Å; I258-L311 HydrophobicContact CG2-CD1 4.44Å; I258-V343 HydrophobicContact CG2-CG1 3.4Å; I258-V343 VanDerWaalsContact CG2-CG1 3.4Å; I258-V344 WeakPolarHBondContact CA-O 3.27Å; I258-A345 HydrophobicContact CG1-CB 4.19Å
259	I	91.7	Very high	69	Low	35 Å²	35	92.5 Å²	92.5	18%	0.179	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.1	176.8	62.8	165	0	0	0	111	V261 R303 V344 K346	I259-V261 HydrophobicContact CD1-CG2 3.57Å; I259-V261 HydrophobicContact CG1-CG2 3.92Å; I259-R303 HydrophobicContact CD1-CB 3.92Å; I259-V344 HydrophobicContact CG1-CB 4.15Å; I259-V344 PolarHBondContact N-O 2.86Å; I259-V344 PolarHBondContact O-N 2.75Å; I259-K346 HydrophobicContact CD1-CD 3.76Å; I259-K346 HydrophobicContact CD1-CG 4.29Å; I259-K346 HydrophobicContact CG1-CD 4.15Å; I259-K346 HydrophobicContact CG1-CG 4.22Å; I259-K346 HydrophobicContact CG2-CG 4.24Å
260	T	93.4	Very high	71.7	Confident	83 Å²	83	90.8 Å²	90.8	51%	0.509	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	169.5	-46.8	0	0	0	0	109.6	R303 L342 V343	T260-R303 PolarHBondContact O-NH1 3.01Å; T260-L342 CarbonylContact C-O 3.52Å; T260-L342 WeakPolarHBondContact CA-O 3.43Å; T260-V343 HydrophobicContact CG2-CG2 4.17Å
261	V	93.6	Very high	73.9	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	97.1	-171.2	-176.4	0	0	0	0	109.3	I259 L263 D301 R303 I304 T341 L342	I259-V261 HydrophobicContact CD1-CG2 3.57Å; I259-V261 HydrophobicContact CG1-CG2 3.92Å; V261-L263 HydrophobicContact CG1-CD2 3.59Å; V261-L263 HydrophobicContact CG1-CG 3.94Å; V261-L263 PolarHBondContact O-N 3.39Å; V261-D301 WeakPolarHBondContact CG1-OD2 3.31Å; V261-R303 HydrophobicContact CG2-CB 4.27Å; V261-I304 HydrophobicContact CB-CD1 4.07Å; V261-I304 HydrophobicContact CB-CG1 4.34Å; V261-I304 HydrophobicContact CG1-CD1 3.95Å; V261-I304 HydrophobicContact CG1-CG1 4.24Å; V261-I304 HydrophobicContact CG2-CD1 4.15Å; V261-I304 HydrophobicContact CG2-CG1 3.89Å; V261-T341 WeakPolarHBondContact O-CA 3.4Å; V261-L342 PolarHBondContact N-O 3.1Å; V261-L342 PolarHBondContact O-N 2.9Å
262	T	93.2	Very high	76.6	Confident	78 Å²	78	77.7 Å²	77.7	48%	0.479	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.3	168	-42.8	0	0	0	0	109.7	P339 I340 T341	T262-P339 HydrophobicContact CG2-CB 4.1Å; T262-I340 CarbonylContact C-O 3.57Å; T262-I340 WeakPolarHBondContact CA-O 3.29Å; T262-T341 HydrophobicContact CG2-CG2 3.95Å
263	L	92	Very high	79.6	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.016	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.4	176.9	-58.8	170.5	0	0	0	109.1	V261 M265 L271 A297 V298 D301 P339 I340 L342	V261-L263 HydrophobicContact CG1-CD2 3.59Å; V261-L263 HydrophobicContact CG1-CG 3.94Å; V261-L263 PolarHBondContact O-N 3.39Å; L263-M265 HydrophobicContact CB-CE 3.44Å; L263-M265 VanDerWaalsContact CB-CE 3.44Å; L263-M265 HydrophobicContact CD1-CE 4.48Å; L263-L271 HydrophobicContact CD1-CD2 3.6Å; L263-A297 HydrophobicContact CB-CB 4.19Å; L263-A297 HydrophobicContact CD1-CB 4.35Å; L263-A297 HydrophobicContact CD2-CB 4.48Å; L263-V298 HydrophobicContact CD1-CG2 3.58Å; L263-V298 HydrophobicContact CD2-CG2 4.46Å; L263-D301 HydrophobicContact CD2-CB 3.47Å; L263-D301 VanDerWaalsContact CD2-CB 3.47Å; L263-P339 CarbonylContact O-C 3.59Å; L263-P339 VanDerWaalsContact O-CA 3.31Å; L263-P339 WeakPolarHBondContact O-CA 3.24Å; L263-I340 PolarHBondContact N-O 3.3Å; L263-I340 PolarHBondContact O-N 2.84Å; L263-L342 HydrophobicContact CD1-CD1 3.86Å; L263-L342 HydrophobicContact CD1-CG 4.47Å
264	N	86.5	Confident	82.2	Confident	77 Å²	77	70.3 Å²	70.3	41%	0.412	39%	0.39	S	S	.	.			trans	-88	125.9	170.7	-167.5	0.4	0	0	0	110.4	D266 V268	N264-D266 PolarHBondContact ND2-OD2 2.85Å; N264-D266 WeakPolarHBondContact OD1-CB 3.15Å; N264-D266 PolarHBondContact OD1-N 3.08Å; N264-D266 PolarHBondContact OD1-OD2 3.11Å; N264-D266 VanDerWaalsContact OD1-OD2 3.09Å; N264-V268 WeakPolarHBondContact O-CG2 3.38Å
265	M	86.1	Confident	84.9	Confident	25 Å²	25	63.1 Å²	63.1	12%	0.123	36%	0.355	C	S	.	.	S	Bend	trans	-82.6	-12.9	174.2	-59.6	-58.4	100.5	0	0	112.9	L263 S267 V268 L271 A297 G338 I340	L263-M265 HydrophobicContact CB-CE 3.44Å; L263-M265 VanDerWaalsContact CB-CE 3.44Å; L263-M265 HydrophobicContact CD1-CE 4.48Å; M265-S267 PolarHBondContact O-N 3.32Å; M265-S267 VanDerWaalsContact O-N 3.15Å; M265-V268 CarbonylContact O-C 3.57Å; M265-V268 VanDerWaalsContact O-C 3.25Å; M265-V268 PolarHBondContact O-N 2.96Å; M265-L271 HydrophobicContact CE-CD2 3.95Å; M265-L271 HydrophobicContact SD-CD2 4.19Å; M265-A297 HydrophobicContact CE-CB 3.43Å; M265-A297 VanDerWaalsContact CE-CB 3.43Å; M265-A297 HydrophobicContact SD-CB 4.37Å; M265-G338 VanDerWaalsContact CG-O 3.27Å; M265-G338 WeakPolarHBondContact CG-O 3.34Å; M265-I340 HydrophobicContact CE-CB 4.39Å; M265-I340 HydrophobicContact CE-CD1 4.18Å; M265-I340 HydrophobicContact CE-CG1 4.39Å; M265-I340 HydrophobicContact CG-CD1 3.81Å; M265-I340 HydrophobicContact CG-CG1 4.02Å; M265-I340 HydrophobicContact SD-CD1 3.69Å; M265-I340 HydrophobicContact SD-CG1 4.35Å
266	D	81.9	Confident	87.1	Confident	139 Å²	139	61.8 Å²	61.8	74%	0.743	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.3	-178.3	-61.5	-29.2	0	0	0	113.5	N264	N264-D266 PolarHBondContact ND2-OD2 2.85Å; N264-D266 WeakPolarHBondContact OD1-CB 3.15Å; N264-D266 PolarHBondContact OD1-N 3.08Å; N264-D266 PolarHBondContact OD1-OD2 3.11Å; N264-D266 VanDerWaalsContact OD1-OD2 3.09Å
267	S	77.3	Confident	88.2	Confident	76 Å²	76	57.8 Å²	57.8	53%	0.531	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-8.9	177	60	0	0	0	0	114	M265 Q300	M265-S267 PolarHBondContact O-N 3.32Å; M265-S267 VanDerWaalsContact O-N 3.15Å; S267-Q300 PolarHBondContact OG-OE1 2.7Å
268	V	81.8	Confident	88.4	Confident	6 Å²	6	57.9 Å²	57.9	4%	0.036	33%	0.328	C	S	.	.			trans	-161.2	108.5	-160.3	-81.6	0	0	0	0	112.2	N264 M265 F270 G295 A297 Q300	N264-V268 WeakPolarHBondContact O-CG2 3.38Å; M265-V268 CarbonylContact O-C 3.57Å; M265-V268 VanDerWaalsContact O-C 3.25Å; M265-V268 PolarHBondContact O-N 2.96Å; V268-F270 PolarHBondContact O-N 3.01Å; V268-G295 VanDerWaalsContact CG1-O 3.23Å; V268-G295 WeakPolarHBondContact CG1-O 3.48Å; V268-A297 HydrophobicContact CB-CB 4.31Å; V268-A297 HydrophobicContact CG2-CB 3.44Å; V268-A297 VanDerWaalsContact CG2-CB 3.44Å; V268-Q300 VanDerWaalsContact CG1-CD 3.47Å; V268-Q300 HydrophobicContact CG1-CG 4.35Å
269	N	81.7	Confident	87.8	Confident	162 Å²	162	57.9 Å²	57.9	87%	0.866	34%	0.336	S	S	*	.	S	Bend	trans	-67.6	8.7	-177.6	-48.4	36.2	0	0	0	114.9
270	F	90	Very high	87	Confident	90 Å²	90	60.4 Å²	60.4	40%	0.395	35%	0.35	S	S	.	.	S	Bend	trans	-164	149	-175.5	67.4	-70.2	0	0	0	112.7	V268 G272 A297	V268-F270 PolarHBondContact O-N 3.01Å; F270-G272 PolarHBondContact O-N 2.94Å; F270-A297 PolarHBondContact O-N 3.24Å
271	L	91.9	Very high	85.8	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.052	36%	0.361	C	S	.	.			trans	-59.8	-41.4	176	-67.4	-174.5	0	0	0	113.4	L263 M265 I273 G296 A297 V298 L330 V334 I340 L342	L263-L271 HydrophobicContact CD1-CD2 3.6Å; M265-L271 HydrophobicContact CE-CD2 3.95Å; M265-L271 HydrophobicContact SD-CD2 4.19Å; L271-I273 HydrophobicContact CB-CG1 4.08Å; L271-I273 HydrophobicContact CD1-CD1 3.89Å; L271-I273 HydrophobicContact CD1-CG1 4.12Å; L271-G296 CarbonylContact O-C 3.59Å; L271-A297 PolarHBondContact O-N 2.99Å; L271-V298 HydrophobicContact CB-CG2 4.37Å; L271-V298 WeakPolarHBondContact O-CB 3.38Å; L271-V298 PolarHBondContact O-N 3.28Å; L271-L330 HydrophobicContact CD1-CD1 4.17Å; L271-V334 HydrophobicContact CD1-CG2 3.42Å; L271-V334 VanDerWaalsContact CD1-CG2 3.42Å; L271-V334 HydrophobicContact CD2-CG2 4.22Å; L271-V334 HydrophobicContact CG-CG1 4.13Å; L271-V334 HydrophobicContact CG-CG2 3.6Å; L271-I340 HydrophobicContact CD2-CD1 4.08Å; L271-I340 HydrophobicContact CD2-CG2 4.5Å; L271-L342 HydrophobicContact CD1-CD1 4.48Å
272	G	91.2	Very high	84.3	Confident	3 Å²	3	69.5 Å²	69.5	3%	0.031	40%	0.401	C	S	.	.			trans	74.4	36.8	-174	0	0	0	0	0	114.4	F270 I292 M293	F270-G272 PolarHBondContact O-N 2.94Å; G272-I292 CarbonylContact O-C 3.25Å; G272-I292 WeakPolarHBondContact O-CA 3.13Å; G272-M293 PolarHBondContact O-N 3.41Å
273	I	93.4	Very high	83.2	Confident	27 Å²	27	67.6 Å²	67.6	14%	0.138	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.6	171	58.5	174.2	0	0	0	111.1	L271 I275 V289 S291 I292 V298 I310	L271-I273 HydrophobicContact CB-CG1 4.08Å; L271-I273 HydrophobicContact CD1-CD1 3.89Å; L271-I273 HydrophobicContact CD1-CG1 4.12Å; I273-I275 HydrophobicContact CD1-CG1 4.19Å; I273-I275 HydrophobicContact CG1-CG1 4.39Å; I273-V289 HydrophobicContact CB-CG1 4.35Å; I273-V289 HydrophobicContact CG2-CG1 4.13Å; I273-S291 WeakPolarHBondContact CA-O 3.26Å; I273-I292 HydrophobicContact CG2-CG1 4.36Å; I273-V298 HydrophobicContact CG2-CB 3.74Å; I273-V298 HydrophobicContact CG2-CG1 3.77Å; I273-V298 HydrophobicContact CG2-CG2 3.64Å; I273-I310 HydrophobicContact CD1-CD1 3.74Å
274	S	92	Very high	82.4	Confident	56 Å²	56	71.4 Å²	71.4	39%	0.392	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146	157.4	-168.6	0	0	0	0	109.1	G290 S291	S274-G290 PolarHBondContact O-N 3.23Å; S274-S291 WeakPolarHBondContact CB-OG 3.41Å; S274-S291 PolarHBondContact N-O 2.74Å
275	I	91.1	Very high	82	Confident	45 Å²	45	68.6 Å²	68.6	23%	0.231	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	-175	-67.2	154.7	0	0	0	109	I273 I287 Y288 V327 L330	I273-I275 HydrophobicContact CD1-CG1 4.19Å; I273-I275 HydrophobicContact CG1-CG1 4.39Å; I275-I287 HydrophobicContact CG2-CD1 4.24Å; I275-I287 HydrophobicContact CG2-CG2 3.77Å; I275-Y288 WeakPolarHBondContact CA-O 3.29Å; I275-V327 HydrophobicContact CG2-CG2 3.96Å; I275-L330 HydrophobicContact CD1-CD2 3.58Å; I275-L330 HydrophobicContact CD1-CG 4.38Å; I275-L330 HydrophobicContact CG1-CD2 4.34Å
276	V	89.8	Confident	82.1	Confident	69 Å²	69	68 Å²	68	42%	0.418	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.5	169.2	178.5	0	0	0	0	107.1	Y288	V276-Y288 PolarHBondContact N-O 2.68Å; V276-Y288 PolarHBondContact O-N 3.45Å
277	G	88.2	Confident	82.5	Confident	38 Å²	38	61.4 Å²	61.4	39%	0.392	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126	164.3	0	0	0	0	0	108.7	N323	G277-N323 WeakPolarHBondContact CA-OD1 3.37Å
278	Q	80.3	Confident	83.3	Confident	105 Å²	105	61 Å²	61	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.6	174.5	-174	73.3	-11	0	0	107.9	G285 G286 Y288 N323	Q278-G285 CarbonylContact O-C 3.55Å; Q278-G285 WeakPolarHBondContact O-CA 3.15Å; Q278-G285 PolarHBondContact O-N 3.48Å; Q278-G286 PolarHBondContact N-O 2.85Å; Q278-G286 PolarHBondContact O-N 2.67Å; Q278-Y288 HydrophobicContact CB-CD2 3.9Å; Q278-Y288 HydrophobicContact CB-CE2 3.7Å; Q278-Y288 HydrophobicContact CG-CE2 4.44Å; Q278-N323 PolarHBondContact O-ND2 2.95Å
279	S	77.6	Confident	83.8	Confident	89 Å²	89	60.8 Å²	60.8	62%	0.622	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.2	165.2	55.4	0	0	0	0	109.7
280	N	73.5	Confident	84.2	Confident	87 Å²	87	54.9 Å²	54.9	47%	0.465	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	168.8	175.2	72.4	57.8	0	0	0	109.4	A282 G283	N280-A282 PolarHBondContact O-N 2.96Å; N280-A282 VanDerWaalsContact OD1-CA 3.29Å; N280-A282 WeakPolarHBondContact OD1-CA 3.37Å; N280-A282 WeakPolarHBondContact OD1-CB 3.4Å; N280-A282 PolarHBondContact OD1-N 2.85Å; N280-G283 PolarHBondContact N-O 3.06Å; N280-G283 PolarHBondContact O-N 3.4Å; N280-G283 VanDerWaalsContact O-O 3.06Å; N280-G283 PolarHBondContact OD1-N 2.75Å; N280-G283 VanDerWaalsContact OD1-N 3.1Å; N280-G283 PolarHBondContact OD1-O 2.7Å
281	K	68.8	Low	84.3	Confident	174 Å²	174	53.2 Å²	53.2	76%	0.757	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	2.6	-175.7	-57.9	-167.5	-174.3	-174.4	0	114.2	T942	K281-T942 PolarHBondContact NZ-OG1 3.08Å; K281-T942 VanDerWaalsContact NZ-OG1 3.13Å
282	A	62.5	Low	84.3	Confident	100 Å²	100	55.1 Å²	55.1	83%	0.826	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	2.4	175.5	0	0	0	0	0	113.6	N280	N280-A282 PolarHBondContact O-N 2.96Å; N280-A282 VanDerWaalsContact OD1-CA 3.29Å; N280-A282 WeakPolarHBondContact OD1-CA 3.37Å; N280-A282 WeakPolarHBondContact OD1-CB 3.4Å; N280-A282 PolarHBondContact OD1-N 2.85Å
283	G	68.9	Low	84.3	Confident	39 Å²	39	60 Å²	60	40%	0.402	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144	-164.5	177.5	0	0	0	0	0	114.1	N280 G285	N280-G283 PolarHBondContact N-O 3.06Å; N280-G283 PolarHBondContact O-N 3.4Å; N280-G283 VanDerWaalsContact O-O 3.06Å; N280-G283 PolarHBondContact OD1-N 2.75Å; N280-G283 VanDerWaalsContact OD1-N 3.1Å; N280-G283 PolarHBondContact OD1-O 2.7Å; G283-G285 PolarHBondContact O-N 2.99Å
284	D	76.7	Confident	84.1	Confident	83 Å²	83	70.6 Å²	70.6	44%	0.444	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116	173.5	-77.5	-45.6	0	0	0	110.3	G286 S322 N323	D284-G286 PolarHBondContact O-N 2.9Å; D284-S322 WeakPolarHBondContact OD2-CA 3.43Å; D284-S322 VanDerWaalsContact OD2-CB 3.25Å; D284-S322 WeakPolarHBondContact OD2-CB 3.47Å; D284-N323 WeakPolarHBondContact CB-ND2 3.34Å; D284-N323 VanDerWaalsContact CG-ND2 3.34Å; D284-N323 PolarHBondContact OD1-ND2 3.25Å; D284-N323 PolarHBondContact OD2-N 2.87Å
285	G	77.4	Confident	83.9	Confident	17 Å²	17	69.9 Å²	69.9	18%	0.175	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	10.5	176.5	0	0	0	0	0	114.4	Q278 G283 Y288	Q278-G285 CarbonylContact O-C 3.55Å; Q278-G285 WeakPolarHBondContact O-CA 3.15Å; Q278-G285 PolarHBondContact O-N 3.48Å; G283-G285 PolarHBondContact O-N 2.99Å; G285-Y288 WeakPolarHBondContact O-CE2 3.31Å
286	G	87.6	Confident	83.9	Confident	13 Å²	13	67.7 Å²	67.7	13%	0.134	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-174.8	171.7	0	0	0	0	0	116.7	Q278 D284 Y288 N323	Q278-G286 PolarHBondContact N-O 2.85Å; Q278-G286 PolarHBondContact O-N 2.67Å; D284-G286 PolarHBondContact O-N 2.9Å; G286-Y288 WeakPolarHBondContact O-CD2 3.34Å; G286-N323 PolarHBondContact O-OD1 2.92Å
287	I	91.4	Very high	84.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.4	-159.9	-65.3	-62.5	0	0	0	111.6	I275 M309 I310 F318 N323 A326 V327	I275-I287 HydrophobicContact CG2-CD1 4.24Å; I275-I287 HydrophobicContact CG2-CG2 3.77Å; I287-M309 CarbonylContact O-C 3.58Å; I287-M309 WeakPolarHBondContact O-CA 3.5Å; I287-I310 HydrophobicContact CG2-CB 4.07Å; I287-I310 HydrophobicContact CG2-CD1 4.03Å; I287-I310 HydrophobicContact CG2-CG1 4.21Å; I287-I310 PolarHBondContact O-N 3.08Å; I287-F318 HydrophobicContact CB-CD2 4.4Å; I287-F318 HydrophobicContact CG1-CD2 4.36Å; I287-N323 VanDerWaalsContact CD1-OD1 3.28Å; I287-N323 WeakPolarHBondContact CD1-OD1 3.36Å; I287-A326 HydrophobicContact CD1-CB 4.08Å; I287-A326 HydrophobicContact CG1-CB 3.63Å; I287-V327 HydrophobicContact CD1-CG2 3.81Å
288	Y	93.1	Very high	84.4	Confident	67 Å²	67	62.9 Å²	62.9	26%	0.263	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149	-179	-63.8	-90.3	0	0	0	112.9	I275 V276 Q278 G285 G286 G290 D308 M309	I275-Y288 WeakPolarHBondContact CA-O 3.29Å; V276-Y288 PolarHBondContact N-O 2.68Å; V276-Y288 PolarHBondContact O-N 3.45Å; Q278-Y288 HydrophobicContact CB-CD2 3.9Å; Q278-Y288 HydrophobicContact CB-CE2 3.7Å; Q278-Y288 HydrophobicContact CG-CE2 4.44Å; G285-Y288 WeakPolarHBondContact O-CE2 3.31Å; G286-Y288 WeakPolarHBondContact O-CD2 3.34Å; Y288-G290 PolarHBondContact O-N 2.63Å; Y288-D308 WeakPolarHBondContact CA-O 3.49Å; Y288-M309 HydrophobicContact CD1-CB 3.8Å; Y288-M309 HydrophobicContact CD1-CG 4.12Å; Y288-M309 HydrophobicContact CE1-CB 3.63Å; Y288-M309 HydrophobicContact CE1-CG 3.78Å; Y288-M309 HydrophobicContact CE1-SD 4.09Å
289	V	92.9	Very high	84.9	Confident	2 Å²	2	60 Å²	60	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	102.1	174.1	-179.4	0	0	0	0	109.3	I273 I292 I304 P306 G307 D308 I310	I273-V289 HydrophobicContact CB-CG1 4.35Å; I273-V289 HydrophobicContact CG2-CG1 4.13Å; V289-I292 HydrophobicContact CG1-CD1 4.32Å; V289-I292 HydrophobicContact CG1-CG1 3.87Å; V289-I304 HydrophobicContact CG1-CG2 4.49Å; V289-I304 HydrophobicContact CG2-CG2 3.87Å; V289-P306 CarbonylContact O-C 3.39Å; V289-P306 VanDerWaalsContact O-CA 3.28Å; V289-P306 WeakPolarHBondContact O-CA 3.36Å; V289-G307 PolarHBondContact O-N 2.77Å; V289-D308 PolarHBondContact N-O 3.25Å; V289-I310 HydrophobicContact CG2-CD1 4.1Å; V289-I310 HydrophobicContact CG2-CG1 3.99Å
290	G	90.3	Very high	85.6	Confident	39 Å²	39	61 Å²	61	40%	0.402	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-35.9	-178.5	0	0	0	0	0	114.1	S274 Y288	S274-G290 PolarHBondContact O-N 3.23Å; Y288-G290 PolarHBondContact O-N 2.63Å
291	S	91.9	Very high	86.4	Confident	55 Å²	55	59.5 Å²	59.5	39%	0.385	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	163.9	176.3	70.8	0	0	0	0	111.6	I273 S274	I273-S291 WeakPolarHBondContact CA-O 3.26Å; S274-S291 WeakPolarHBondContact CB-OG 3.41Å; S274-S291 PolarHBondContact N-O 2.74Å
292	I	92.6	Very high	87.5	Confident	49 Å²	49	53.6 Å²	53.6	25%	0.251	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125	-179.2	-58.8	174.6	0	0	0	109.5	G272 I273 V289 V298 A299 I304 P306	G272-I292 CarbonylContact O-C 3.25Å; G272-I292 WeakPolarHBondContact O-CA 3.13Å; I273-I292 HydrophobicContact CG2-CG1 4.36Å; V289-I292 HydrophobicContact CG1-CD1 4.32Å; V289-I292 HydrophobicContact CG1-CG1 3.87Å; I292-V298 HydrophobicContact CD1-CG1 3.92Å; I292-V298 HydrophobicContact CG1-CG1 4.27Å; I292-V298 HydrophobicContact CG2-CG1 4.11Å; I292-A299 HydrophobicContact CG2-CB 3.84Å; I292-I304 WeakPolarHBondContact CD1-O 3.44Å; I292-P306 HydrophobicContact CD1-CG 4.3Å; I292-P306 HydrophobicContact CG1-CG 4.26Å
293	M	90.4	Very high	88.9	Confident	107 Å²	107	54.1 Å²	54.1	53%	0.527	31%	0.31	S	S	.	.			trans	-83.8	129.2	179.5	-62.3	-178.3	70.8	0	0	110.9	G272 G295 G296 A299	G272-M293 PolarHBondContact O-N 3.41Å; M293-G295 PolarHBondContact O-N 3.22Å; M293-G296 PolarHBondContact O-N 2.94Å; M293-A299 VanDerWaalsContact O-CB 3.26Å; M293-A299 WeakPolarHBondContact O-CB 3.3Å
294	R	89.1	Confident	90	Very high	248 Å²	248	52.6 Å²	52.6	94%	0.936	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	123.9	174.4	-65.6	-178.3	-179.8	-83.3	-1.8	110.3
295	G	88.5	Confident	90.7	Very high	41 Å²	41	52.6 Å²	52.6	42%	0.423	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-14.5	174	0	0	0	0	0	116	V268 M293 Q300	V268-G295 VanDerWaalsContact CG1-O 3.23Å; V268-G295 WeakPolarHBondContact CG1-O 3.48Å; M293-G295 PolarHBondContact O-N 3.22Å; G295-Q300 PolarHBondContact O-NE2 2.89Å
296	G	91.4	Very high	91.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-77	168	170.8	0	0	0	0	0	112.8	L271 M293 V298 A299 Q300	L271-G296 CarbonylContact O-C 3.59Å; M293-G296 PolarHBondContact O-N 2.94Å; G296-V298 VanDerWaalsContact C-N 3.32Å; G296-V298 PolarHBondContact O-N 2.93Å; G296-A299 WeakPolarHBondContact O-CA 3.35Å; G296-A299 WeakPolarHBondContact O-CB 3.21Å; G296-A299 PolarHBondContact O-N 2.95Å; G296-Q300 PolarHBondContact O-N 2.81Å; G296-Q300 VanDerWaalsContact O-N 3.15Å
297	A	93.3	Very high	91.4	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-52.9	-44.4	-174.2	0	0	0	0	0	114.5	L263 M265 V268 F270 L271 A299 Q300 D301	L263-A297 HydrophobicContact CB-CB 4.19Å; L263-A297 HydrophobicContact CD1-CB 4.35Å; L263-A297 HydrophobicContact CD2-CB 4.48Å; M265-A297 HydrophobicContact CE-CB 3.43Å; M265-A297 VanDerWaalsContact CE-CB 3.43Å; M265-A297 HydrophobicContact SD-CB 4.37Å; V268-A297 HydrophobicContact CB-CB 4.31Å; V268-A297 HydrophobicContact CG2-CB 3.44Å; V268-A297 VanDerWaalsContact CG2-CB 3.44Å; F270-A297 PolarHBondContact O-N 3.24Å; L271-A297 PolarHBondContact O-N 2.99Å; A297-A299 VanDerWaalsContact C-N 3.26Å; A297-A299 PolarHBondContact O-N 3.02Å; A297-Q300 PolarHBondContact O-N 2.81Å; A297-D301 PolarHBondContact O-N 2.97Å
298	V	93.6	Very high	91.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-34.1	179.8	172.9	0	0	0	0	111.6	L263 L271 I273 I292 G296 Q300 G302 I304	L263-V298 HydrophobicContact CD1-CG2 3.58Å; L263-V298 HydrophobicContact CD2-CG2 4.46Å; L271-V298 HydrophobicContact CB-CG2 4.37Å; L271-V298 WeakPolarHBondContact O-CB 3.38Å; L271-V298 PolarHBondContact O-N 3.28Å; I273-V298 HydrophobicContact CG2-CB 3.74Å; I273-V298 HydrophobicContact CG2-CG1 3.77Å; I273-V298 HydrophobicContact CG2-CG2 3.64Å; I292-V298 HydrophobicContact CD1-CG1 3.92Å; I292-V298 HydrophobicContact CG1-CG1 4.27Å; I292-V298 HydrophobicContact CG2-CG1 4.11Å; G296-V298 VanDerWaalsContact C-N 3.32Å; G296-V298 PolarHBondContact O-N 2.93Å; V298-Q300 VanDerWaalsContact C-N 3.34Å; V298-G302 PolarHBondContact O-N 3.13Å; V298-I304 HydrophobicContact CG1-CB 3.78Å; V298-I304 HydrophobicContact CG1-CD1 4.28Å; V298-I304 HydrophobicContact CG1-CG2 4.25Å; V298-I304 HydrophobicContact CG2-CD1 4.19Å
299	A	92.5	Very high	91.4	Very high	44 Å²	44	53.6 Å²	53.6	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-77	-17	175	0	0	0	0	0	113.9	I292 M293 G296 A297	I292-A299 HydrophobicContact CG2-CB 3.84Å; M293-A299 VanDerWaalsContact O-CB 3.26Å; M293-A299 WeakPolarHBondContact O-CB 3.3Å; G296-A299 WeakPolarHBondContact O-CA 3.35Å; G296-A299 WeakPolarHBondContact O-CB 3.21Å; G296-A299 PolarHBondContact O-N 2.95Å; A297-A299 VanDerWaalsContact C-N 3.26Å; A297-A299 PolarHBondContact O-N 3.02Å
300	Q	90.8	Very high	91.4	Very high	111 Å²	111	53.6 Å²	53.6	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-86	-35.8	173.1	-65.5	-168.8	4	0	0	112	S267 V268 G295 G296 A297 V298	S267-Q300 PolarHBondContact OG-OE1 2.7Å; V268-Q300 VanDerWaalsContact CG1-CD 3.47Å; V268-Q300 HydrophobicContact CG1-CG 4.35Å; G295-Q300 PolarHBondContact O-NE2 2.89Å; G296-Q300 PolarHBondContact O-N 2.81Å; G296-Q300 VanDerWaalsContact O-N 3.15Å; A297-Q300 PolarHBondContact O-N 2.81Å; V298-Q300 VanDerWaalsContact C-N 3.34Å
301	D	91.7	Very high	91.5	Very high	54 Å²	54	53 Å²	53	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-77.1	-44.7	175.9	178.2	94.8	0	0	0	112.8	V261 L263 A297 R303	V261-D301 WeakPolarHBondContact CG1-OD2 3.31Å; L263-D301 HydrophobicContact CD2-CB 3.47Å; L263-D301 VanDerWaalsContact CD2-CB 3.47Å; A297-D301 PolarHBondContact O-N 2.97Å; D301-R303 VanDerWaalsContact C-N 3.33Å; D301-R303 VanDerWaalsContact CG-NE 3.33Å; D301-R303 PolarHBondContact O-N 2.84Å; D301-R303 IonicContact OD1-CZ 2.72Å; D301-R303 VanDerWaalsContact OD1-CZ 3.28Å; D301-R303 IonicContact OD1-NE 3.26Å; D301-R303 PolarHBondContact OD1-NE 3.23Å; D301-R303 IonicContact OD1-NH2 2.87Å; D301-R303 PolarHBondContact OD1-NH2 2.72Å; D301-R303 VanDerWaalsContact OD2-CB 3.24Å; D301-R303 WeakPolarHBondContact OD2-CB 3.25Å; D301-R303 VanDerWaalsContact OD2-CG 3.26Å; D301-R303 WeakPolarHBondContact OD2-CG 3.1Å; D301-R303 IonicContact OD2-CZ 2.86Å; D301-R303 PolarHBondContact OD2-N 3.34Å; D301-R303 VanDerWaalsContact OD2-N 3.12Å; D301-R303 IonicContact OD2-NE 2.83Å; D301-R303 PolarHBondContact OD2-NE 2.98Å; D301-R303 IonicContact OD2-NH2 2.73Å
302	G	91.1	Very high	91.7	Very high	51 Å²	51	52.9 Å²	52.9	53%	0.526	28%	0.28	S	S	.	.			trans	74.8	6.1	171	0	0	0	0	0	116.9	V298	V298-G302 PolarHBondContact O-N 3.13Å
303	R	91.2	Very high	91.8	Very high	111 Å²	111	50.5 Å²	50.5	42%	0.419	27%	0.268	S	S	.	.			trans	-82.3	-27.7	176.5	-65	178.7	-78.7	166.6	-11	114.2	I259 T260 V261 D301 K346	I259-R303 HydrophobicContact CD1-CB 3.92Å; T260-R303 PolarHBondContact O-NH1 3.01Å; V261-R303 HydrophobicContact CG2-CB 4.27Å; D301-R303 VanDerWaalsContact C-N 3.33Å; D301-R303 VanDerWaalsContact CG-NE 3.33Å; D301-R303 PolarHBondContact O-N 2.84Å; D301-R303 IonicContact OD1-CZ 2.72Å; D301-R303 VanDerWaalsContact OD1-CZ 3.28Å; D301-R303 IonicContact OD1-NE 3.26Å; D301-R303 PolarHBondContact OD1-NE 3.23Å; D301-R303 IonicContact OD1-NH2 2.87Å; D301-R303 PolarHBondContact OD1-NH2 2.72Å; D301-R303 VanDerWaalsContact OD2-CB 3.24Å; D301-R303 WeakPolarHBondContact OD2-CB 3.25Å; D301-R303 VanDerWaalsContact OD2-CG 3.26Å; D301-R303 WeakPolarHBondContact OD2-CG 3.1Å; D301-R303 IonicContact OD2-CZ 2.86Å; D301-R303 PolarHBondContact OD2-N 3.34Å; D301-R303 VanDerWaalsContact OD2-N 3.12Å; D301-R303 IonicContact OD2-NE 2.83Å; D301-R303 PolarHBondContact OD2-NE 2.98Å; D301-R303 IonicContact OD2-NH2 2.73Å; R303-K346 PolarHBondContact O-NZ 2.84Å
304	I	92.2	Very high	91.9	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	25%	0.253	C	S	.	.			trans	-91.6	139.9	177.9	-52.6	169.4	0	0	0	108.7	V261 V289 I292 V298 D308 L342 V344	V261-I304 HydrophobicContact CB-CD1 4.07Å; V261-I304 HydrophobicContact CB-CG1 4.34Å; V261-I304 HydrophobicContact CG1-CD1 3.95Å; V261-I304 HydrophobicContact CG1-CG1 4.24Å; V261-I304 HydrophobicContact CG2-CD1 4.15Å; V261-I304 HydrophobicContact CG2-CG1 3.89Å; V289-I304 HydrophobicContact CG1-CG2 4.49Å; V289-I304 HydrophobicContact CG2-CG2 3.87Å; I292-I304 WeakPolarHBondContact CD1-O 3.44Å; V298-I304 HydrophobicContact CG1-CB 3.78Å; V298-I304 HydrophobicContact CG1-CD1 4.28Å; V298-I304 HydrophobicContact CG1-CG2 4.25Å; V298-I304 HydrophobicContact CG2-CD1 4.19Å; I304-D308 WeakPolarHBondContact CA-OD2 3.48Å; I304-D308 HydrophobicContact CG2-CB 4.15Å; I304-L342 HydrophobicContact CD1-CD1 3.83Å; I304-V344 HydrophobicContact CD1-CG2 3.96Å; I304-V344 HydrophobicContact CG1-CG2 4.25Å; I304-V344 HydrophobicContact CG2-CG1 4.33Å
305	E	91.8	Very high	91.9	Very high	84 Å²	84	46.2 Å²	46.2	39%	0.393	25%	0.249	S	C	.	.			trans	-130.6	159.7	-177.3	-68.6	170	117.7	0	0	110.4	G307 D308 K346 W348	E305-G307 PolarHBondContact O-N 2.88Å; E305-D308 PolarHBondContact N-OD2 2.81Å; E305-D308 WeakPolarHBondContact O-CB 3.45Å; E305-D308 VanDerWaalsContact O-CG 3.28Å; E305-D308 PolarHBondContact O-N 2.83Å; E305-K346 IonicContact OE2-NZ 3.59Å; E305-K346 PolarHBondContact OE2-NZ 3.07Å; E305-W348 HydrophobicContact CB-CE3 4.19Å; E305-W348 HydrophobicContact CB-CZ3 4.27Å
306	P	90.9	Very high	92.1	Very high	58 Å²	58	47 Å²	47	38%	0.377	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	135.4	175.8	-19.1	32.9	0	0	0	111.4	V289 I292 W348	V289-P306 CarbonylContact O-C 3.39Å; V289-P306 VanDerWaalsContact O-CA 3.28Å; V289-P306 WeakPolarHBondContact O-CA 3.36Å; I292-P306 HydrophobicContact CD1-CG 4.3Å; I292-P306 HydrophobicContact CG1-CG 4.26Å; P306-W348 VanDerWaalsContact O-CZ3 3.22Å; P306-W348 WeakPolarHBondContact O-CZ3 3.47Å
307	G	89	Confident	92.1	Very high	18 Å²	18	48.9 Å²	48.9	19%	0.186	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-14.9	-172.9	0	0	0	0	0	114.3	V289 E305 C347	V289-G307 PolarHBondContact O-N 2.77Å; E305-G307 PolarHBondContact O-N 2.88Å; G307-C347 WeakPolarHBondContact O-CB 3.42Å
308	D	92.4	Very high	92.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-64.6	147.8	170.8	-68.9	-19.3	0	0	0	111.6	Y288 V289 I304 E305 V344 K346	Y288-D308 WeakPolarHBondContact CA-O 3.49Å; V289-D308 PolarHBondContact N-O 3.25Å; I304-D308 WeakPolarHBondContact CA-OD2 3.48Å; I304-D308 HydrophobicContact CG2-CB 4.15Å; E305-D308 PolarHBondContact N-OD2 2.81Å; E305-D308 WeakPolarHBondContact O-CB 3.45Å; E305-D308 VanDerWaalsContact O-CG 3.28Å; E305-D308 PolarHBondContact O-N 2.83Å; D308-V344 HydrophobicContact CB-CG1 3.56Å; D308-K346 WeakPolarHBondContact OD1-CA 3.46Å; D308-K346 WeakPolarHBondContact OD1-CD 3.41Å; D308-K346 WeakPolarHBondContact OD1-CE 3.27Å; D308-K346 IonicContact OD1-NZ 2.62Å; D308-K346 PolarHBondContact OD1-NZ 3.2Å; D308-K346 WeakPolarHBondContact OD2-CD 3.24Å; D308-K346 WeakPolarHBondContact OD2-CE 3.34Å; D308-K346 IonicContact OD2-NZ 2.65Å; D308-K346 PolarHBondContact OD2-NZ 2.79Å
309	M	91.8	Very high	91.7	Very high	41 Å²	41	56.2 Å²	56.2	20%	0.202	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.7	-179.9	-172.1	-175.9	-179.6	0	0	110.5	I287 Y288 L311 V344 A345 C347	I287-M309 CarbonylContact O-C 3.58Å; I287-M309 WeakPolarHBondContact O-CA 3.5Å; Y288-M309 HydrophobicContact CD1-CB 3.8Å; Y288-M309 HydrophobicContact CD1-CG 4.12Å; Y288-M309 HydrophobicContact CE1-CB 3.63Å; Y288-M309 HydrophobicContact CE1-CG 3.78Å; Y288-M309 HydrophobicContact CE1-SD 4.09Å; M309-L311 HydrophobicContact CE-CD2 4.1Å; M309-L311 HydrophobicContact CG-CD2 4.16Å; M309-L311 HydrophobicContact SD-CD2 3.95Å; M309-V344 CarbonylContact O-C 3.54Å; M309-V344 VanDerWaalsContact O-CA 3.25Å; M309-V344 WeakPolarHBondContact O-CA 3.25Å; M309-V344 WeakPolarHBondContact O-CG1 3.26Å; M309-A345 HydrophobicContact CB-CB 4.37Å; M309-A345 PolarHBondContact N-O 2.86Å; M309-A345 PolarHBondContact O-N 3.25Å; M309-C347 HydrophobicContact CB-CB 4.41Å
310	I	93.7	Very high	91.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.7	176.4	-45.8	179.3	0	0	0	108.4	I273 I287 V289 F318 L330 L342	I273-I310 HydrophobicContact CD1-CD1 3.74Å; I287-I310 HydrophobicContact CG2-CB 4.07Å; I287-I310 HydrophobicContact CG2-CD1 4.03Å; I287-I310 HydrophobicContact CG2-CG1 4.21Å; I287-I310 PolarHBondContact O-N 3.08Å; V289-I310 HydrophobicContact CG2-CD1 4.1Å; V289-I310 HydrophobicContact CG2-CG1 3.99Å; I310-F318 HydrophobicContact CB-CD2 4.37Å; I310-F318 HydrophobicContact CB-CE2 4.24Å; I310-F318 HydrophobicContact CG2-CD2 4.09Å; I310-F318 HydrophobicContact CG2-CE2 3.67Å; I310-L330 HydrophobicContact CD1-CD2 3.92Å; I310-L342 HydrophobicContact CG2-CD2 4.16Å
311	L	92.7	Very high	90.9	Very high	27 Å²	27	58.7 Å²	58.7	14%	0.141	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-31.8	-179.8	-57.5	-178.7	0	0	0	112.5	I258 M309 S317 F318 V343 A345	I258-L311 HydrophobicContact CD1-CD1 4.02Å; I258-L311 HydrophobicContact CG1-CD1 4.24Å; I258-L311 HydrophobicContact CG2-CD1 4.44Å; M309-L311 HydrophobicContact CE-CD2 4.1Å; M309-L311 HydrophobicContact CG-CD2 4.16Å; M309-L311 HydrophobicContact SD-CD2 3.95Å; L311-S317 CarbonylContact O-C 3.57Å; L311-S317 WeakPolarHBondContact O-CA 3.44Å; L311-S317 PolarHBondContact O-OG 3.48Å; L311-F318 PolarHBondContact O-N 3Å; L311-V343 HydrophobicContact CB-CG1 4.46Å; L311-V343 PolarHBondContact N-O 2.62Å; L311-A345 HydrophobicContact CD1-CB 4.09Å; L311-A345 HydrophobicContact CG-CB 4.38Å
312	E	94.2	Very high	90.8	Very high	52 Å²	52	58.4 Å²	58.4	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.8	-175.2	-163.3	-154	94.4	0	0	111.2	R315 I316 L342 V343	E312-R315 VanDerWaalsContact CD-CA 3.4Å; E312-R315 VanDerWaalsContact OE1-CA 3.24Å; E312-R315 WeakPolarHBondContact OE1-CA 3.28Å; E312-R315 PolarHBondContact OE1-N 3.46Å; E312-I316 VanDerWaalsContact CA-O 3.27Å; E312-I316 WeakPolarHBondContact CA-O 3.41Å; E312-I316 WeakPolarHBondContact CG-O 3.38Å; E312-L342 WeakPolarHBondContact O-CA 3.17Å; E312-V343 HydrophobicContact CB-CB 3.59Å; E312-V343 HydrophobicContact CB-CG2 3.69Å; E312-V343 HydrophobicContact CG-CG2 4.3Å; E312-V343 PolarHBondContact N-O 3.48Å; E312-V343 PolarHBondContact O-N 3.1Å
313	V	95	Very high	90.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.2	160.7	69.3	0	0	0	0	110.2	R315 I316 F318 V329 L330 E333 I340 L342	V313-R315 VanDerWaalsContact C-N 3.27Å; V313-R315 PolarHBondContact O-N 3.4Å; V313-R315 VanDerWaalsContact O-N 3.08Å; V313-I316 PolarHBondContact N-O 3Å; V313-I316 WeakPolarHBondContact O-CB 3.48Å; V313-I316 PolarHBondContact O-N 3.06Å; V313-F318 HydrophobicContact CB-CE1 4.48Å; V313-F318 HydrophobicContact CB-CZ 3.9Å; V313-F318 HydrophobicContact CG1-CE1 3.67Å; V313-F318 HydrophobicContact CG1-CZ 3.47Å; V313-F318 VanDerWaalsContact CG1-CZ 3.47Å; V313-V329 HydrophobicContact CG1-CG1 4.07Å; V313-L330 HydrophobicContact CB-CD1 4.06Å; V313-L330 HydrophobicContact CG1-CD1 4.4Å; V313-L330 HydrophobicContact CG2-CD1 3.84Å; V313-E333 HydrophobicContact CG1-CB 4.19Å; V313-E333 HydrophobicContact CG1-CG 4.28Å; V313-E333 HydrophobicContact CG2-CB 4.04Å; V313-E333 HydrophobicContact CG2-CG 3.79Å; V313-I340 HydrophobicContact CG2-CG2 3.82Å; V313-L342 HydrophobicContact CB-CD2 4.01Å; V313-L342 HydrophobicContact CG2-CD2 3.76Å
314	N	92.8	Very high	90.8	Very high	41 Å²	41	57.8 Å²	57.8	22%	0.219	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.7	44.9	177.6	-71.8	-1	0	0	0	115	E333 I340 T341	N314-E333 HydrophobicContact CB-CG 3.75Å; N314-E333 WeakPolarHBondContact CB-OE1 3.36Å; N314-E333 WeakPolarHBondContact ND2-CG 3.36Å; N314-E333 PolarHBondContact ND2-OE1 3.36Å; N314-I340 WeakPolarHBondContact OD1-CA 3.38Å; N314-T341 PolarHBondContact N-O 2.87Å; N314-T341 PolarHBondContact OD1-N 2.97Å; N314-T341 PolarHBondContact OD1-OG1 2.93Å
315	R	89.2	Confident	90.9	Very high	224 Å²	224	60.8 Å²	60.8	85%	0.845	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	13.6	-178	-47.8	167	179	-80.7	-2.9	116	E312 V313	E312-R315 VanDerWaalsContact CD-CA 3.4Å; E312-R315 VanDerWaalsContact OE1-CA 3.24Å; E312-R315 WeakPolarHBondContact OE1-CA 3.28Å; E312-R315 PolarHBondContact OE1-N 3.46Å; V313-R315 VanDerWaalsContact C-N 3.27Å; V313-R315 PolarHBondContact O-N 3.4Å; V313-R315 VanDerWaalsContact O-N 3.08Å
316	I	93	Very high	90.9	Very high	57 Å²	57	56.8 Å²	56.8	29%	0.292	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.7	169.5	-47.5	171	0	0	0	107.7	E312 V313 M321 V329	E312-I316 VanDerWaalsContact CA-O 3.27Å; E312-I316 WeakPolarHBondContact CA-O 3.41Å; E312-I316 WeakPolarHBondContact CG-O 3.38Å; V313-I316 PolarHBondContact N-O 3Å; V313-I316 WeakPolarHBondContact O-CB 3.48Å; V313-I316 PolarHBondContact O-N 3.06Å; I316-M321 HydrophobicContact CG2-CE 4Å; I316-M321 HydrophobicContact CG2-SD 4.16Å; I316-V329 HydrophobicContact CB-CG1 4.32Å; I316-V329 HydrophobicContact CD1-CG1 3.63Å; I316-V329 HydrophobicContact CG2-CG1 4.04Å
317	S	91.1	Very high	91	Very high	40 Å²	40	55.4 Å²	55.4	28%	0.28	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	145.7	174.5	-178.6	0	0	0	0	110.7	L311 E319	L311-S317 CarbonylContact O-C 3.57Å; L311-S317 WeakPolarHBondContact O-CA 3.44Å; L311-S317 PolarHBondContact O-OG 3.48Å; S317-E319 WeakPolarHBondContact OG-CB 3.42Å; S317-E319 VanDerWaalsContact OG-CG 3.31Å; S317-E319 WeakPolarHBondContact OG-CG 3.49Å; S317-E319 PolarHBondContact OG-N 3.33Å; S317-E319 VanDerWaalsContact OG-N 3.13Å; S317-E319 PolarHBondContact OG-OE2 3.06Å
318	F	92.6	Very high	91.2	Very high	11 Å²	11	60.6 Å²	60.6	5%	0.048	29%	0.294	C	S	.	.	S	Bend	trans	-96.8	-0.4	172.6	-59.8	-26.1	0	0	0	113.1	I287 I310 L311 V313 D320 M321 A326 V329 L330	I287-F318 HydrophobicContact CB-CD2 4.4Å; I287-F318 HydrophobicContact CG1-CD2 4.36Å; I310-F318 HydrophobicContact CB-CD2 4.37Å; I310-F318 HydrophobicContact CB-CE2 4.24Å; I310-F318 HydrophobicContact CG2-CD2 4.09Å; I310-F318 HydrophobicContact CG2-CE2 3.67Å; L311-F318 PolarHBondContact O-N 3Å; V313-F318 HydrophobicContact CB-CE1 4.48Å; V313-F318 HydrophobicContact CB-CZ 3.9Å; V313-F318 HydrophobicContact CG1-CE1 3.67Å; V313-F318 HydrophobicContact CG1-CZ 3.47Å; V313-F318 VanDerWaalsContact CG1-CZ 3.47Å; F318-D320 VanDerWaalsContact C-N 3.35Å; F318-D320 PolarHBondContact O-N 2.98Å; F318-M321 HydrophobicContact CD1-SD 3.83Å; F318-M321 HydrophobicContact CE1-SD 4.42Å; F318-M321 PolarHBondContact O-N 3.13Å; F318-M321 VanDerWaalsContact O-N 3.17Å; F318-A326 HydrophobicContact CB-CB 3.97Å; F318-A326 HydrophobicContact CD1-CB 3.71Å; F318-A326 HydrophobicContact CD2-CB 4.11Å; F318-A326 HydrophobicContact CE1-CB 4.19Å; F318-A326 HydrophobicContact CG-CB 3.68Å; F318-V329 HydrophobicContact CE1-CB 4.46Å; F318-V329 HydrophobicContact CE1-CG1 4.21Å; F318-L330 HydrophobicContact CE2-CB 4.49Å; F318-L330 HydrophobicContact CE2-CD2 4.28Å; F318-L330 HydrophobicContact CZ-CB 3.88Å; F318-L330 HydrophobicContact CZ-CD1 4.41Å; F318-L330 HydrophobicContact CZ-CD2 4.44Å; F318-L330 HydrophobicContact CZ-CG 4.47Å
319	E	85.6	Confident	91.3	Very high	148 Å²	148	61.5 Å²	61.5	69%	0.692	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-38.2	-175.8	-67.4	162.2	136.2	0	0	112.7	S317	S317-E319 WeakPolarHBondContact OG-CB 3.42Å; S317-E319 VanDerWaalsContact OG-CG 3.31Å; S317-E319 WeakPolarHBondContact OG-CG 3.49Å; S317-E319 PolarHBondContact OG-N 3.33Å; S317-E319 VanDerWaalsContact OG-N 3.13Å; S317-E319 PolarHBondContact OG-OE2 3.06Å
320	D	82.1	Confident	91.4	Very high	164 Å²	164	59.6 Å²	59.6	88%	0.877	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	12.1	176.4	-60	-55.5	0	0	0	113	F318	F318-D320 VanDerWaalsContact C-N 3.35Å; F318-D320 PolarHBondContact O-N 2.98Å
321	M	85.2	Confident	91.3	Very high	43 Å²	43	67 Å²	67	21%	0.212	32%	0.318	C	S	.	.	S	Bend	trans	-108.4	138.5	-174.3	-65.8	-164.2	134.8	0	0	112.6	I316 F318 E325 A326 V329	I316-M321 HydrophobicContact CG2-CE 4Å; I316-M321 HydrophobicContact CG2-SD 4.16Å; F318-M321 HydrophobicContact CD1-SD 3.83Å; F318-M321 HydrophobicContact CE1-SD 4.42Å; F318-M321 PolarHBondContact O-N 3.13Å; F318-M321 VanDerWaalsContact O-N 3.17Å; M321-E325 HydrophobicContact CB-CG 4.25Å; M321-E325 HydrophobicContact CE-CG 3.86Å; M321-E325 HydrophobicContact CG-CG 4.31Å; M321-E325 HydrophobicContact SD-CG 4.1Å; M321-A326 HydrophobicContact CB-CB 4.17Å; M321-V329 HydrophobicContact CE-CG2 3.9Å; M321-V329 HydrophobicContact SD-CG2 4.29Å
322	S	89.3	Confident	91.3	Very high	49 Å²	49	70.6 Å²	70.6	34%	0.343	33%	0.334	S	S	.	.			trans	-64.1	153.9	170.4	63.1	0	0	0	0	111.9	D284 D324 E325 A326	D284-S322 WeakPolarHBondContact OD2-CA 3.43Å; D284-S322 VanDerWaalsContact OD2-CB 3.25Å; D284-S322 WeakPolarHBondContact OD2-CB 3.47Å; S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 PolarHBondContact O-N 2.91Å; S322-E325 WeakPolarHBondContact O-CA 3.34Å; S322-E325 WeakPolarHBondContact O-CB 3.45Å; S322-E325 PolarHBondContact O-N 3.29Å; S322-E325 WeakPolarHBondContact OG-CB 3.45Å; S322-A326 PolarHBondContact O-N 3.42Å
323	N	90.9	Very high	91.1	Very high	18 Å²	18	69.2 Å²	69.2	10%	0.096	33%	0.328	C	S	.	.	H	α-helix	trans	-55.5	-43.2	-176.4	-93.4	-55.6	0	0	0	112.6	G277 Q278 D284 G286 I287 E325 V327	G277-N323 WeakPolarHBondContact CA-OD1 3.37Å; Q278-N323 PolarHBondContact O-ND2 2.95Å; D284-N323 WeakPolarHBondContact CB-ND2 3.34Å; D284-N323 VanDerWaalsContact CG-ND2 3.34Å; D284-N323 PolarHBondContact OD1-ND2 3.25Å; D284-N323 PolarHBondContact OD2-N 2.87Å; G286-N323 PolarHBondContact O-OD1 2.92Å; I287-N323 VanDerWaalsContact CD1-OD1 3.28Å; I287-N323 WeakPolarHBondContact CD1-OD1 3.36Å; N323-E325 VanDerWaalsContact C-N 3.34Å; N323-V327 WeakPolarHBondContact O-CB 3.46Å; N323-V327 VanDerWaalsContact O-CG2 3.29Å; N323-V327 WeakPolarHBondContact O-CG2 3.4Å; N323-V327 PolarHBondContact O-N 2.89Å
324	D	91.7	Very high	90.8	Very high	131 Å²	131	71.1 Å²	71.1	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-69.6	-29.2	176.5	-77.3	-42.4	0	0	0	113.2	S322 R328	S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 PolarHBondContact O-N 2.91Å; D324-R328 VanDerWaalsContact O-CB 3.25Å; D324-R328 WeakPolarHBondContact O-CB 3.18Å; D324-R328 PolarHBondContact O-N 2.95Å
325	E	93	Very high	90.5	Very high	68 Å²	68	76.7 Å²	76.7	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-74.6	-46.1	175.8	175	142.2	-128.4	0	0	112.3	M321 S322 N323 V327 R328 V329	M321-E325 HydrophobicContact CB-CG 4.25Å; M321-E325 HydrophobicContact CE-CG 3.86Å; M321-E325 HydrophobicContact CG-CG 4.31Å; M321-E325 HydrophobicContact SD-CG 4.1Å; S322-E325 WeakPolarHBondContact O-CA 3.34Å; S322-E325 WeakPolarHBondContact O-CB 3.45Å; S322-E325 PolarHBondContact O-N 3.29Å; S322-E325 WeakPolarHBondContact OG-CB 3.45Å; N323-E325 VanDerWaalsContact C-N 3.34Å; E325-V327 VanDerWaalsContact C-N 3.29Å; E325-V327 PolarHBondContact O-N 3.4Å; E325-R328 VanDerWaalsContact CG-NH2 3.35Å; E325-R328 WeakPolarHBondContact O-CB 3.39Å; E325-R328 PolarHBondContact O-N 3.17Å; E325-R328 VanDerWaalsContact O-N 3.09Å; E325-R328 IonicContact OE1-CZ 2.69Å; E325-R328 IonicContact OE1-NH2 3.03Å; E325-R328 PolarHBondContact OE1-NH2 3.1Å; E325-R328 IonicContact OE2-NH2 3.34Å; E325-V329 WeakPolarHBondContact O-CG2 3.35Å; E325-V329 PolarHBondContact O-N 3.13Å
326	A	92.8	Very high	90.4	Very high	1 Å²	1	70 Å²	70	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-59.7	-41.2	173.5	0	0	0	0	0	111	I287 F318 M321 S322 L330	I287-A326 HydrophobicContact CD1-CB 4.08Å; I287-A326 HydrophobicContact CG1-CB 3.63Å; F318-A326 HydrophobicContact CB-CB 3.97Å; F318-A326 HydrophobicContact CD1-CB 3.71Å; F318-A326 HydrophobicContact CD2-CB 4.11Å; F318-A326 HydrophobicContact CE1-CB 4.19Å; F318-A326 HydrophobicContact CG-CB 3.68Å; M321-A326 HydrophobicContact CB-CB 4.17Å; S322-A326 PolarHBondContact O-N 3.42Å; A326-L330 WeakPolarHBondContact O-CB 3.19Å; A326-L330 PolarHBondContact O-N 2.83Å
327	V	92.6	Very high	90	Very high	28 Å²	28	73.9 Å²	73.9	17%	0.17	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-39.3	172.5	170.1	0	0	0	0	112.3	I275 I287 N323 E325 R331	I275-V327 HydrophobicContact CG2-CG2 3.96Å; I287-V327 HydrophobicContact CD1-CG2 3.81Å; N323-V327 WeakPolarHBondContact O-CB 3.46Å; N323-V327 VanDerWaalsContact O-CG2 3.29Å; N323-V327 WeakPolarHBondContact O-CG2 3.4Å; N323-V327 PolarHBondContact O-N 2.89Å; E325-V327 VanDerWaalsContact C-N 3.29Å; E325-V327 PolarHBondContact O-N 3.4Å; V327-R331 VanDerWaalsContact CG1-NE 3.3Å; V327-R331 WeakPolarHBondContact O-CB 3.46Å; V327-R331 WeakPolarHBondContact O-CD 3.28Å; V327-R331 WeakPolarHBondContact O-CG 3.33Å; V327-R331 PolarHBondContact O-N 3.32Å
328	R	93.4	Very high	89.8	Confident	128 Å²	128	73.1 Å²	73.1	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-50.8	175.6	172.5	175.4	64.9	-114.5	13.9	111.4	D324 E325 R331 E332	D324-R328 VanDerWaalsContact O-CB 3.25Å; D324-R328 WeakPolarHBondContact O-CB 3.18Å; D324-R328 PolarHBondContact O-N 2.95Å; E325-R328 VanDerWaalsContact CG-NH2 3.35Å; E325-R328 WeakPolarHBondContact O-CB 3.39Å; E325-R328 PolarHBondContact O-N 3.17Å; E325-R328 VanDerWaalsContact O-N 3.09Å; E325-R328 IonicContact OE1-CZ 2.69Å; E325-R328 IonicContact OE1-NH2 3.03Å; E325-R328 PolarHBondContact OE1-NH2 3.1Å; E325-R328 IonicContact OE2-NH2 3.34Å; R328-R331 PolarHBondContact O-N 3.18Å; R328-E332 PolarHBondContact O-N 3.34Å
329	V	94.1	Very high	89.7	Confident	18 Å²	18	76.4 Å²	76.4	11%	0.109	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-44.7	179.9	169.6	0	0	0	0	111.2	V313 I316 F318 M321 E325 R331 E332 E333	V313-V329 HydrophobicContact CG1-CG1 4.07Å; I316-V329 HydrophobicContact CB-CG1 4.32Å; I316-V329 HydrophobicContact CD1-CG1 3.63Å; I316-V329 HydrophobicContact CG2-CG1 4.04Å; F318-V329 HydrophobicContact CE1-CB 4.46Å; F318-V329 HydrophobicContact CE1-CG1 4.21Å; M321-V329 HydrophobicContact CE-CG2 3.9Å; M321-V329 HydrophobicContact SD-CG2 4.29Å; E325-V329 WeakPolarHBondContact O-CG2 3.35Å; E325-V329 PolarHBondContact O-N 3.13Å; V329-R331 VanDerWaalsContact C-N 3.25Å; V329-R331 PolarHBondContact O-N 3.42Å; V329-E332 PolarHBondContact O-N 3.45Å; V329-E332 VanDerWaalsContact O-N 3.11Å; V329-E333 WeakPolarHBondContact O-CB 3.28Å; V329-E333 PolarHBondContact O-N 2.83Å
330	L	93.6	Very high	90.1	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-37.8	175.3	-174.8	51	0	0	0	111.7	L271 I275 I310 V313 F318 A326 V334 L342	L271-L330 HydrophobicContact CD1-CD1 4.17Å; I275-L330 HydrophobicContact CD1-CD2 3.58Å; I275-L330 HydrophobicContact CD1-CG 4.38Å; I275-L330 HydrophobicContact CG1-CD2 4.34Å; I310-L330 HydrophobicContact CD1-CD2 3.92Å; V313-L330 HydrophobicContact CB-CD1 4.06Å; V313-L330 HydrophobicContact CG1-CD1 4.4Å; V313-L330 HydrophobicContact CG2-CD1 3.84Å; F318-L330 HydrophobicContact CE2-CB 4.49Å; F318-L330 HydrophobicContact CE2-CD2 4.28Å; F318-L330 HydrophobicContact CZ-CB 3.88Å; F318-L330 HydrophobicContact CZ-CD1 4.41Å; F318-L330 HydrophobicContact CZ-CD2 4.44Å; F318-L330 HydrophobicContact CZ-CG 4.47Å; A326-L330 WeakPolarHBondContact O-CB 3.19Å; A326-L330 PolarHBondContact O-N 2.83Å; L330-V334 HydrophobicContact CD1-CG2 4.14Å; L330-V334 VanDerWaalsContact O-CB 3.26Å; L330-V334 WeakPolarHBondContact O-CB 3.41Å; L330-V334 WeakPolarHBondContact O-CG2 3.22Å; L330-V334 PolarHBondContact O-N 3.03Å; L330-V334 VanDerWaalsContact O-N 3.13Å; L330-L342 HydrophobicContact CD1-CD2 4Å
331	R	91.5	Very high	90.6	Very high	157 Å²	157	63.4 Å²	63.4	59%	0.592	33%	0.328	S	S	*	.	H	α-helix	trans	-71.1	-37.7	174.3	-72.8	169.9	-174.1	-78.6	0.6	113.1	V327 R328 V329 Q335	V327-R331 VanDerWaalsContact CG1-NE 3.3Å; V327-R331 WeakPolarHBondContact O-CB 3.46Å; V327-R331 WeakPolarHBondContact O-CD 3.28Å; V327-R331 WeakPolarHBondContact O-CG 3.33Å; V327-R331 PolarHBondContact O-N 3.32Å; R328-R331 PolarHBondContact O-N 3.18Å; V329-R331 VanDerWaalsContact C-N 3.25Å; V329-R331 PolarHBondContact O-N 3.42Å; R331-Q335 WeakPolarHBondContact O-CG 3.37Å; R331-Q335 PolarHBondContact O-N 2.81Å; R331-Q335 PolarHBondContact O-NE2 2.83Å
332	E	92.8	Very high	91.1	Very high	102 Å²	102	61.4 Å²	61.4	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-48.3	176.7	-167.9	-163	117.2	0	0	110.9	R328 V329 V334 Q335 K336	R328-E332 PolarHBondContact O-N 3.34Å; V329-E332 PolarHBondContact O-N 3.45Å; V329-E332 VanDerWaalsContact O-N 3.11Å; E332-V334 VanDerWaalsContact C-N 3.32Å; E332-V334 PolarHBondContact O-N 2.88Å; E332-Q335 WeakPolarHBondContact O-CB 3.41Å; E332-Q335 PolarHBondContact O-N 3.28Å; E332-K336 PolarHBondContact O-N 2.83Å; E332-K336 WeakPolarHBondContact OE1-CE 3.27Å; E332-K336 IonicContact OE1-NZ 2.69Å; E332-K336 PolarHBondContact OE1-NZ 3.06Å
333	E	90.9	Very high	91.4	Very high	24 Å²	24	60.1 Å²	60.1	11%	0.112	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-34	-177.8	-158.7	59	-144.9	0	0	111.9	V313 N314 V329 Q335 K336	V313-E333 HydrophobicContact CG1-CB 4.19Å; V313-E333 HydrophobicContact CG1-CG 4.28Å; V313-E333 HydrophobicContact CG2-CB 4.04Å; V313-E333 HydrophobicContact CG2-CG 3.79Å; N314-E333 HydrophobicContact CB-CG 3.75Å; N314-E333 WeakPolarHBondContact CB-OE1 3.36Å; N314-E333 WeakPolarHBondContact ND2-CG 3.36Å; N314-E333 PolarHBondContact ND2-OE1 3.36Å; V329-E333 WeakPolarHBondContact O-CB 3.28Å; V329-E333 PolarHBondContact O-N 2.83Å; E333-Q335 PolarHBondContact O-N 2.84Å; E333-K336 PolarHBondContact O-N 2.88Å; E333-K336 WeakPolarHBondContact OE2-CD 3.43Å; E333-K336 WeakPolarHBondContact OE2-CE 3.32Å; E333-K336 IonicContact OE2-NZ 2.66Å; E333-K336 PolarHBondContact OE2-NZ 2.83Å
334	V	89.1	Confident	91.5	Very high	39 Å²	39	59.2 Å²	59.2	24%	0.236	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.5	173.1	170.6	0	0	0	0	113.7	L271 L330 E332 I340	L271-V334 HydrophobicContact CD1-CG2 3.42Å; L271-V334 VanDerWaalsContact CD1-CG2 3.42Å; L271-V334 HydrophobicContact CD2-CG2 4.22Å; L271-V334 HydrophobicContact CG-CG1 4.13Å; L271-V334 HydrophobicContact CG-CG2 3.6Å; L330-V334 HydrophobicContact CD1-CG2 4.14Å; L330-V334 VanDerWaalsContact O-CB 3.26Å; L330-V334 WeakPolarHBondContact O-CB 3.41Å; L330-V334 WeakPolarHBondContact O-CG2 3.22Å; L330-V334 PolarHBondContact O-N 3.03Å; L330-V334 VanDerWaalsContact O-N 3.13Å; E332-V334 VanDerWaalsContact C-N 3.32Å; E332-V334 PolarHBondContact O-N 2.88Å; V334-I340 HydrophobicContact CB-CD1 4.21Å; V334-I340 HydrophobicContact CG2-CD1 3.78Å
335	Q	86.3	Confident	91.5	Very high	159 Å²	159	53.1 Å²	53.1	74%	0.743	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.5	173.2	-72.6	169.1	91.4	0	0	113.1	R331 E332 E333	R331-Q335 WeakPolarHBondContact O-CG 3.37Å; R331-Q335 PolarHBondContact O-N 2.81Å; R331-Q335 PolarHBondContact O-NE2 2.83Å; E332-Q335 WeakPolarHBondContact O-CB 3.41Å; E332-Q335 PolarHBondContact O-N 3.28Å; E333-Q335 PolarHBondContact O-N 2.84Å
336	K	87.2	Confident	91.2	Very high	83 Å²	83	51.5 Å²	51.5	36%	0.361	26%	0.263	S	S	.	.	S	Bend	trans	-81.4	135.3	178.5	-66.3	172.1	-163.3	167.5	0	110.1	E332 E333 G338	E332-K336 PolarHBondContact O-N 2.83Å; E332-K336 WeakPolarHBondContact OE1-CE 3.27Å; E332-K336 IonicContact OE1-NZ 2.69Å; E332-K336 PolarHBondContact OE1-NZ 3.06Å; E333-K336 PolarHBondContact O-N 2.88Å; E333-K336 WeakPolarHBondContact OE2-CD 3.43Å; E333-K336 WeakPolarHBondContact OE2-CE 3.32Å; E333-K336 IonicContact OE2-NZ 2.66Å; E333-K336 PolarHBondContact OE2-NZ 2.83Å; K336-G338 PolarHBondContact O-N 3.23Å
337	P	84.6	Confident	89.9	Confident	138 Å²	138	53.2 Å²	53.2	90%	0.896	27%	0.274	S	S	*	.	S	Bend	trans	-73.6	111.8	-178.3	28.8	-33.9	0	0	0	111.1
338	G	86.4	Confident	88.2	Confident	24 Å²	24	59.7 Å²	59.7	25%	0.247	30%	0.296	C	S	.	.	S	Bend	trans	164.2	-176.9	175.1	0	0	0	0	0	113.3	M265 K336	M265-G338 VanDerWaalsContact CG-O 3.27Å; M265-G338 WeakPolarHBondContact CG-O 3.34Å; K336-G338 PolarHBondContact O-N 3.23Å
339	P	89.8	Confident	86	Confident	81 Å²	81	56.2 Å²	56.2	53%	0.526	29%	0.286	S	S	.	.			trans	-71.1	147.6	167.2	31.9	-34.5	0	0	0	110.6	T262 L263	T262-P339 HydrophobicContact CG2-CB 4.1Å; L263-P339 CarbonylContact O-C 3.59Å; L263-P339 VanDerWaalsContact O-CA 3.31Å; L263-P339 WeakPolarHBondContact O-CA 3.24Å
340	I	93.9	Very high	83.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.2	179.8	-61.8	177.7	0	0	0	109.2	T262 L263 M265 L271 V313 N314 V334 L342	T262-I340 CarbonylContact C-O 3.57Å; T262-I340 WeakPolarHBondContact CA-O 3.29Å; L263-I340 PolarHBondContact N-O 3.3Å; L263-I340 PolarHBondContact O-N 2.84Å; M265-I340 HydrophobicContact CE-CB 4.39Å; M265-I340 HydrophobicContact CE-CD1 4.18Å; M265-I340 HydrophobicContact CE-CG1 4.39Å; M265-I340 HydrophobicContact CG-CD1 3.81Å; M265-I340 HydrophobicContact CG-CG1 4.02Å; M265-I340 HydrophobicContact SD-CD1 3.69Å; M265-I340 HydrophobicContact SD-CG1 4.35Å; L271-I340 HydrophobicContact CD2-CD1 4.08Å; L271-I340 HydrophobicContact CD2-CG2 4.5Å; V313-I340 HydrophobicContact CG2-CG2 3.82Å; N314-I340 WeakPolarHBondContact OD1-CA 3.38Å; V334-I340 HydrophobicContact CB-CD1 4.21Å; V334-I340 HydrophobicContact CG2-CD1 3.78Å; I340-L342 HydrophobicContact CG2-CD2 4.21Å; I340-L342 HydrophobicContact CG2-CG 4.28Å
341	T	94.4	Very high	81.2	Confident	38 Å²	38	63.1 Å²	63.1	23%	0.233	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.1	170	58	0	0	0	0	109.7	V261 T262 N314	V261-T341 WeakPolarHBondContact O-CA 3.4Å; T262-T341 HydrophobicContact CG2-CG2 3.95Å; N314-T341 PolarHBondContact N-O 2.87Å; N314-T341 PolarHBondContact OD1-N 2.97Å; N314-T341 PolarHBondContact OD1-OG1 2.93Å
342	L	95.1	Very high	78.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.5	166.7	-61.3	173.3	0	0	0	109.4	T260 V261 L263 L271 I304 I310 E312 V313 L330 I340 V344	T260-L342 CarbonylContact C-O 3.52Å; T260-L342 WeakPolarHBondContact CA-O 3.43Å; V261-L342 PolarHBondContact N-O 3.1Å; V261-L342 PolarHBondContact O-N 2.9Å; L263-L342 HydrophobicContact CD1-CD1 3.86Å; L263-L342 HydrophobicContact CD1-CG 4.47Å; L271-L342 HydrophobicContact CD1-CD1 4.48Å; I304-L342 HydrophobicContact CD1-CD1 3.83Å; I310-L342 HydrophobicContact CG2-CD2 4.16Å; E312-L342 WeakPolarHBondContact O-CA 3.17Å; V313-L342 HydrophobicContact CB-CD2 4.01Å; V313-L342 HydrophobicContact CG2-CD2 3.76Å; L330-L342 HydrophobicContact CD1-CD2 4Å; I340-L342 HydrophobicContact CG2-CD2 4.21Å; I340-L342 HydrophobicContact CG2-CG 4.28Å; L342-V344 HydrophobicContact CB-CG2 3.8Å
343	V	94.5	Very high	76.4	Confident	22 Å²	22	62.2 Å²	62.2	13%	0.133	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.6	161.9	-175.7	0	0	0	0	107.6	I258 T260 L311 E312	I258-V343 HydrophobicContact CG2-CG1 3.4Å; I258-V343 VanDerWaalsContact CG2-CG1 3.4Å; T260-V343 HydrophobicContact CG2-CG2 4.17Å; L311-V343 HydrophobicContact CB-CG1 4.46Å; L311-V343 PolarHBondContact N-O 2.62Å; E312-V343 HydrophobicContact CB-CB 3.59Å; E312-V343 HydrophobicContact CB-CG2 3.69Å; E312-V343 HydrophobicContact CG-CG2 4.3Å; E312-V343 PolarHBondContact N-O 3.48Å; E312-V343 PolarHBondContact O-N 3.1Å
344	V	93.2	Very high	73.8	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	122.3	-166.6	178	0	0	0	0	109.6	I258 I259 I304 D308 M309 L342	I258-V344 WeakPolarHBondContact CA-O 3.27Å; I259-V344 HydrophobicContact CG1-CB 4.15Å; I259-V344 PolarHBondContact N-O 2.86Å; I259-V344 PolarHBondContact O-N 2.75Å; I304-V344 HydrophobicContact CD1-CG2 3.96Å; I304-V344 HydrophobicContact CG1-CG2 4.25Å; I304-V344 HydrophobicContact CG2-CG1 4.33Å; D308-V344 HydrophobicContact CB-CG1 3.56Å; M309-V344 CarbonylContact O-C 3.54Å; M309-V344 VanDerWaalsContact O-CA 3.25Å; M309-V344 WeakPolarHBondContact O-CA 3.25Å; M309-V344 WeakPolarHBondContact O-CG1 3.26Å; L342-V344 HydrophobicContact CB-CG2 3.8Å
345	A	91.2	Very high	71	Confident	3 Å²	3	75.3 Å²	75.3	3%	0.025	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.4	166.9	0	0	0	0	0	109.7	I258 M309 L311 C347	I258-A345 HydrophobicContact CG1-CB 4.19Å; M309-A345 HydrophobicContact CB-CB 4.37Å; M309-A345 PolarHBondContact N-O 2.86Å; M309-A345 PolarHBondContact O-N 3.25Å; L311-A345 HydrophobicContact CD1-CB 4.09Å; L311-A345 HydrophobicContact CG-CB 4.38Å; A345-C347 PolarHBondContact O-N 2.92Å
346	K	87.4	Confident	68.4	Low	34 Å²	34	75.9 Å²	75.9	15%	0.148	40%	0.397	C	S	.	.			trans	-72.9	72.9	175.3	-66.1	-64.4	-56.1	-177.3	0	111.3	N257 I259 R303 E305 D308 W348	N257-K346 HydrophobicContact CB-CB 4.06Å; N257-K346 HydrophobicContact CB-CG 4.45Å; N257-K346 VanDerWaalsContact O-CB 3.26Å; N257-K346 WeakPolarHBondContact O-CB 3.24Å; N257-K346 VanDerWaalsContact O-CG 3.27Å; N257-K346 WeakPolarHBondContact O-CG 3.42Å; N257-K346 PolarHBondContact O-N 2.9Å; I259-K346 HydrophobicContact CD1-CD 3.76Å; I259-K346 HydrophobicContact CD1-CG 4.29Å; I259-K346 HydrophobicContact CG1-CD 4.15Å; I259-K346 HydrophobicContact CG1-CG 4.22Å; I259-K346 HydrophobicContact CG2-CG 4.24Å; R303-K346 PolarHBondContact O-NZ 2.84Å; E305-K346 IonicContact OE2-NZ 3.59Å; E305-K346 PolarHBondContact OE2-NZ 3.07Å; D308-K346 WeakPolarHBondContact OD1-CA 3.46Å; D308-K346 WeakPolarHBondContact OD1-CD 3.41Å; D308-K346 WeakPolarHBondContact OD1-CE 3.27Å; D308-K346 IonicContact OD1-NZ 2.62Å; D308-K346 PolarHBondContact OD1-NZ 3.2Å; D308-K346 WeakPolarHBondContact OD2-CD 3.24Å; D308-K346 WeakPolarHBondContact OD2-CE 3.34Å; D308-K346 IonicContact OD2-NZ 2.65Å; D308-K346 PolarHBondContact OD2-NZ 2.79Å; K346-W348 PolarHBondContact O-N 3.28Å
347	C	65.4	Low	66.1	Low	36 Å²	36	77.1 Å²	77.1	24%	0.243	41%	0.411	C	S	.	.			trans	-76.4	41.4	179.2	-65.5	0	0	0	0	113	G307 M309 A345 D349	G307-C347 WeakPolarHBondContact O-CB 3.42Å; M309-C347 HydrophobicContact CB-CB 4.41Å; A345-C347 PolarHBondContact O-N 2.92Å; C347-D349 VanDerWaalsContact C-N 3.28Å; C347-D349 PolarHBondContact O-N 3.49Å
348	W	56.2	Low	64	Low	165 Å²	165	75 Å²	75	63%	0.625	39%	0.392	S	S	*	.			trans	-77.9	68.8	-177.4	-175.7	-95.5	0	0	0	113.1	E305 P306 K346	E305-W348 HydrophobicContact CB-CE3 4.19Å; E305-W348 HydrophobicContact CB-CZ3 4.27Å; P306-W348 VanDerWaalsContact O-CZ3 3.22Å; P306-W348 WeakPolarHBondContact O-CZ3 3.47Å; K346-W348 PolarHBondContact O-N 3.28Å
349	D	48.1	Very low	61.8	Low	54 Å²	54	79.5 Å²	79.5	29%	0.289	42%	0.416	S	S	.	.			trans	-176.5	104.9	138.5	-172.7	-9.9	0	0	0	107.1	C347 S351 P352 K353	C347-D349 VanDerWaalsContact C-N 3.28Å; C347-D349 PolarHBondContact O-N 3.49Å; D349-S351 PolarHBondContact O-N 3.23Å; D349-S351 VanDerWaalsContact OD1-CA 3.28Å; D349-S351 WeakPolarHBondContact OD1-CA 3.44Å; D349-S351 PolarHBondContact OD1-N 3.21Å; D349-S351 PolarHBondContact OD1-OG 2.78Å; D349-P352 VanDerWaalsContact OD2-CA 3.23Å; D349-P352 WeakPolarHBondContact OD2-CA 3.23Å; D349-K353 PolarHBondContact OD2-N 2.96Å
350	P	45.2	Very low	59.2	Low	122 Å²	122	86 Å²	86	79%	0.792	43%	0.43	S	S	*	.	S	Bend	trans	-62.5	11.3	169.9	-24.5	35.6	0	0	0	114.7
351	S	41.2	Very low	56.6	Low	44 Å²	44	94.9 Å²	94.9	31%	0.308	47%	0.472	S	S	.	.	S	Bend	trans	-162	58.2	-178.3	64.2	0	0	0	0	114.2	D349 K353 R946	D349-S351 PolarHBondContact O-N 3.23Å; D349-S351 VanDerWaalsContact OD1-CA 3.28Å; D349-S351 WeakPolarHBondContact OD1-CA 3.44Å; D349-S351 PolarHBondContact OD1-N 3.21Å; D349-S351 PolarHBondContact OD1-OG 2.78Å; S351-K353 WeakPolarHBondContact O-CB 3.45Å; S351-K353 WeakPolarHBondContact O-CG 3.32Å; S351-K353 PolarHBondContact O-N 3.42Å; S351-R946 PolarHBondContact OG-NH2 2.64Å
352	P	42.3	Very low	53.9	Low	98 Å²	98	99.9 Å²	99.9	64%	0.636	49%	0.492	S	S	*	.			trans	-47.9	93.5	-161.8	21.1	-35.4	0	0	0	114.5	D349	D349-P352 VanDerWaalsContact OD2-CA 3.23Å; D349-P352 WeakPolarHBondContact OD2-CA 3.23Å
353	K	42	Very low	51.4	Low	141 Å²	141	104 Å²	104	61%	0.613	52%	0.519	S	S	*	.			trans	-132.7	14.8	-177.2	-73.1	-174.6	-177.3	-172.2	0	114.5	D349 S351	D349-K353 PolarHBondContact OD2-N 2.96Å; S351-K353 WeakPolarHBondContact O-CB 3.45Å; S351-K353 WeakPolarHBondContact O-CG 3.32Å; S351-K353 PolarHBondContact O-N 3.42Å
354	N	36.6	Very low	49.3	Very low	118 Å²	118	109.6 Å²	109.6	63%	0.631	55%	0.553	S	S	*	*			trans	-130.3	20.7	179.8	-98	-22	0	0	0	116	F356 T357	N354-F356 PolarHBondContact O-N 2.69Å; N354-T357 HydrophobicContact CB-CG2 4.48Å; N354-T357 PolarHBondContact O-N 3.27Å
355	Y	29.9	Very low	47.6	Very low	221 Å²	221	118.8 Å²	118.8	87%	0.867	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	40.1	172.1	-98.6	-83.9	0	0	0	114.5
356	F	30.8	Very low	46.1	Very low	171 Å²	171	124.8 Å²	124.8	75%	0.75	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.6	40.1	162.8	-150.8	-110.5	0	0	0	114.7	N354 I358	N354-F356 PolarHBondContact O-N 2.69Å; F356-I358 VanDerWaalsContact C-N 3.28Å; F356-I358 HydrophobicContact CD1-CD1 4.29Å; F356-I358 HydrophobicContact CD1-CG1 4.21Å; F356-I358 HydrophobicContact CE1-CD1 3.43Å; F356-I358 VanDerWaalsContact CE1-CD1 3.43Å; F356-I358 HydrophobicContact CE1-CG1 3.74Å; F356-I358 HydrophobicContact CZ-CD1 3.74Å; F356-I358 HydrophobicContact CZ-CG1 3.98Å; F356-I358 PolarHBondContact O-N 2.91Å
357	T	38.8	Very low	45	Very low	109 Å²	109	130.4 Å²	130.4	67%	0.669	66%	0.657	S	S	*	*			trans	-76.1	77.2	169.6	55.2	0	0	0	0	111.7	N354	N354-T357 HydrophobicContact CB-CG2 4.48Å; N354-T357 PolarHBondContact O-N 3.27Å
358	I	41.9	Very low	45.3	Very low	94 Å²	94	132.8 Å²	132.8	48%	0.482	67%	0.667	S	S	.	*			trans	-50.9	137.1	158.1	-64.4	178.4	0	0	0	107.9	F356 R360	F356-I358 VanDerWaalsContact C-N 3.28Å; F356-I358 HydrophobicContact CD1-CD1 4.29Å; F356-I358 HydrophobicContact CD1-CG1 4.21Å; F356-I358 HydrophobicContact CE1-CD1 3.43Å; F356-I358 VanDerWaalsContact CE1-CD1 3.43Å; F356-I358 HydrophobicContact CE1-CG1 3.74Å; F356-I358 HydrophobicContact CZ-CD1 3.74Å; F356-I358 HydrophobicContact CZ-CG1 3.98Å; F356-I358 PolarHBondContact O-N 2.91Å; I358-R360 HydrophobicContact CB-CG 3.97Å; I358-R360 HydrophobicContact CG2-CG 4Å; I358-R360 VanDerWaalsContact O-CG 3.27Å; I358-R360 WeakPolarHBondContact O-CG 3.39Å; I358-R360 PolarHBondContact O-N 2.71Å
359	P	39.2	Very low	46.2	Very low	118 Å²	118	129.2 Å²	129.2	77%	0.766	67%	0.665	S	S	*	*			trans	-59.7	76	172	-27.1	37.1	0	0	0	113.9	Q361	P359-Q361 VanDerWaalsContact C-N 3.27Å; P359-Q361 PolarHBondContact O-N 3.49Å
360	R	36.1	Very low	47.5	Very low	216 Å²	216	135.9 Å²	135.9	82%	0.815	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	62.2	-170.7	-71.1	-123.9	-79	150.8	-8.1	113.2	I358	I358-R360 HydrophobicContact CB-CG 3.97Å; I358-R360 HydrophobicContact CG2-CG 4Å; I358-R360 VanDerWaalsContact O-CG 3.27Å; I358-R360 WeakPolarHBondContact O-CG 3.39Å; I358-R360 PolarHBondContact O-N 2.71Å
361	Q	39	Very low	48.6	Very low	188 Å²	188	132.6 Å²	132.6	88%	0.879	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	-12.1	159.1	-67.6	-166.4	5.6	0	0	114	P359 P363	P359-Q361 VanDerWaalsContact C-N 3.27Å; P359-Q361 PolarHBondContact O-N 3.49Å; Q361-P363 WeakPolarHBondContact O-CD 3.47Å
362	E	37.9	Very low	49.9	Very low	143 Å²	143	139 Å²	139	67%	0.668	69%	0.687	S	S	*	*	S	Bend	trans	-71.1	126.8	169.3	-171.9	59.9	-150	0	0	110.3	V364	E362-V364 PolarHBondContact O-N 3.23Å
363	P	43.5	Very low	51.5	Low	87 Å²	87	137.8 Å²	137.8	57%	0.565	68%	0.677	S	S	*	*			trans	-65.4	121.3	178.2	-21.9	34.2	0	0	0	111.5	Q361 R365	Q361-P363 WeakPolarHBondContact O-CD 3.47Å; P363-R365 PolarHBondContact O-N 2.9Å
364	V	48.6	Very low	53	Low	139 Å²	139	136.7 Å²	136.7	84%	0.842	68%	0.677	S	S	*	*			trans	-64.1	96	179.8	-177.3	0	0	0	0	110.3	E362	E362-V364 PolarHBondContact O-N 3.23Å
365	R	59.3	Low	54.5	Low	193 Å²	193	136.4 Å²	136.4	73%	0.728	67%	0.672	S	S	*	*			trans	-76.4	151.9	167.9	-65.7	-176.8	-177.9	161.3	5.9	109.6	P363 I367	P363-R365 PolarHBondContact O-N 2.9Å; R365-I367 PolarHBondContact O-N 3.21Å
366	P	58.6	Low	56.3	Low	129 Å²	129	128.7 Å²	128.7	84%	0.838	65%	0.648	S	S	*	*			trans	-54.2	130.5	170	-23.9	34.2	0	0	0	110.4	D368	P366-D368 PolarHBondContact O-N 3.19Å
367	I	64.2	Low	58.1	Low	153 Å²	153	125.1 Å²	125.1	79%	0.785	64%	0.637	S	S	*	*			trans	-66.9	115.4	175.3	-59.8	172.2	0	0	0	107.5	R365 P369	R365-I367 PolarHBondContact O-N 3.21Å; I367-P369 VanDerWaalsContact O-CD 3.29Å; I367-P369 WeakPolarHBondContact O-CD 3.27Å
368	D	71.1	Confident	59.1	Low	85 Å²	85	123.3 Å²	123.3	46%	0.455	63%	0.633	S	S	.	*			trans	-75.9	116.5	172.2	173.8	19.7	0	0	0	109.8	P366 R370 A371 W372	P366-D368 PolarHBondContact O-N 3.19Å; D368-R370 PolarHBondContact O-N 3.16Å; D368-R370 WeakPolarHBondContact OD1-CB 3.44Å; D368-R370 PolarHBondContact OD1-N 2.94Å; D368-A371 HydrophobicContact CB-CB 3.98Å; D368-A371 WeakPolarHBondContact O-CB 3.46Å; D368-A371 PolarHBondContact O-N 2.95Å; D368-A371 VanDerWaalsContact O-N 3.14Å; D368-A371 PolarHBondContact OD2-N 2.77Å; D368-A371 VanDerWaalsContact OD2-N 3.17Å; D368-W372 PolarHBondContact O-N 2.59Å
369	P	76.9	Confident	59.7	Low	90 Å²	90	125.4 Å²	125.4	58%	0.584	64%	0.642	S	S	*	*	H	α-helix	trans	-60.7	-27.7	176.5	-21.9	34.8	0	0	0	112.7	I367 W372 V373	I367-P369 VanDerWaalsContact O-CD 3.29Å; I367-P369 WeakPolarHBondContact O-CD 3.27Å; P369-W372 PolarHBondContact O-N 2.83Å; P369-V373 WeakPolarHBondContact O-CG2 3.31Å; P369-V373 PolarHBondContact O-N 3.11Å
370	R	73.9	Confident	60.7	Low	195 Å²	195	124.9 Å²	124.9	74%	0.736	64%	0.637	S	S	*	*	H	α-helix	trans	-71.6	-37.1	175.9	-74.9	-175.4	165.8	174.1	-3.1	112.3	D368 W372 V373 L374	D368-R370 PolarHBondContact O-N 3.16Å; D368-R370 WeakPolarHBondContact OD1-CB 3.44Å; D368-R370 PolarHBondContact OD1-N 2.94Å; R370-W372 VanDerWaalsContact C-N 3.32Å; R370-W372 PolarHBondContact O-N 3.38Å; R370-V373 PolarHBondContact O-N 3.31Å; R370-L374 VanDerWaalsContact O-CB 3.27Å; R370-L374 WeakPolarHBondContact O-CB 3.17Å; R370-L374 VanDerWaalsContact O-CG 3.23Å; R370-L374 WeakPolarHBondContact O-CG 3.36Å; R370-L374 PolarHBondContact O-N 2.93Å
371	A	69.8	Low	61.5	Low	52 Å²	52	117.5 Å²	117.5	43%	0.43	63%	0.628	S	S	.	*	H	α-helix	trans	-60.1	-41.9	172.9	0	0	0	0	0	111.8	D368 L374 H375	D368-A371 HydrophobicContact CB-CB 3.98Å; D368-A371 WeakPolarHBondContact O-CB 3.46Å; D368-A371 PolarHBondContact O-N 2.95Å; D368-A371 VanDerWaalsContact O-N 3.14Å; D368-A371 PolarHBondContact OD2-N 2.77Å; D368-A371 VanDerWaalsContact OD2-N 3.17Å; A371-L374 PolarHBondContact O-N 3.46Å; A371-H375 WeakPolarHBondContact O-CB 3.33Å; A371-H375 PolarHBondContact O-N 3Å
372	W	68.5	Low	61.7	Low	180 Å²	180	112.8 Å²	112.8	68%	0.682	62%	0.621	S	S	*	*	H	α-helix	trans	-67.1	-43.3	176.2	179.8	52.7	0	0	0	113	D368 P369 R370 H375 T376	D368-W372 PolarHBondContact O-N 2.59Å; P369-W372 PolarHBondContact O-N 2.83Å; R370-W372 VanDerWaalsContact C-N 3.32Å; R370-W372 PolarHBondContact O-N 3.38Å; W372-H375 PolarHBondContact O-N 2.79Å; W372-T376 WeakPolarHBondContact O-CB 3.19Å; W372-T376 PolarHBondContact O-N 3.1Å; W372-T376 PolarHBondContact O-OG1 2.88Å
373	V	75.1	Confident	61.6	Low	71 Å²	71	113.9 Å²	113.9	43%	0.43	63%	0.631	S	S	.	*	H	α-helix	trans	-65.2	-39	175	170.4	0	0	0	0	111.7	P369 R370 T376 N377	P369-V373 WeakPolarHBondContact O-CG2 3.31Å; P369-V373 PolarHBondContact O-N 3.11Å; R370-V373 PolarHBondContact O-N 3.31Å; V373-T376 PolarHBondContact O-N 3.3Å; V373-N377 VanDerWaalsContact O-CB 3.29Å; V373-N377 WeakPolarHBondContact O-CB 3.27Å; V373-N377 PolarHBondContact O-N 2.93Å
374	L	73.5	Confident	61.3	Low	119 Å²	119	113.1 Å²	113.1	62%	0.623	64%	0.639	S	S	*	*	H	α-helix	trans	-66.3	-41.4	175.1	-76.2	168.5	0	0	0	112	R370 A371 N377 A378	R370-L374 VanDerWaalsContact O-CB 3.27Å; R370-L374 WeakPolarHBondContact O-CB 3.17Å; R370-L374 VanDerWaalsContact O-CG 3.23Å; R370-L374 WeakPolarHBondContact O-CG 3.36Å; R370-L374 PolarHBondContact O-N 2.93Å; A371-L374 PolarHBondContact O-N 3.46Å; L374-N377 PolarHBondContact O-N 3.41Å; L374-A378 VanDerWaalsContact O-CB 3.28Å; L374-A378 WeakPolarHBondContact O-CB 3.49Å; L374-A378 PolarHBondContact O-N 3.29Å
375	H	68.6	Low	61.3	Low	112 Å²	112	112.9 Å²	112.9	52%	0.519	64%	0.638	S	S	.	*	H	α-helix	trans	-62.9	-45	175.3	-171.2	85.1	0	0	0	111.5	A371 W372 A378 M379	A371-H375 WeakPolarHBondContact O-CB 3.33Å; A371-H375 PolarHBondContact O-N 3Å; W372-H375 PolarHBondContact O-N 2.79Å; H375-A378 PolarHBondContact O-N 2.7Å; H375-M379 VanDerWaalsContact NE2-CE 3.27Å; H375-M379 WeakPolarHBondContact NE2-CE 3.27Å; H375-M379 PolarHBondContact O-N 3.4Å
376	T	67.2	Low	60.2	Low	59 Å²	59	109.7 Å²	109.7	36%	0.362	64%	0.642	S	S	.	*	H	α-helix	trans	-61.6	-45.7	175.5	-55.7	0	0	0	0	111.5	W372 V373 A378 M379 T380	W372-T376 WeakPolarHBondContact O-CB 3.19Å; W372-T376 PolarHBondContact O-N 3.1Å; W372-T376 PolarHBondContact O-OG1 2.88Å; V373-T376 PolarHBondContact O-N 3.3Å; T376-A378 VanDerWaalsContact C-N 3.35Å; T376-A378 PolarHBondContact O-N 3.17Å; T376-M379 PolarHBondContact O-N 3.22Å; T376-T380 WeakPolarHBondContact O-CB 3.42Å; T376-T380 PolarHBondContact O-N 3.32Å; T376-T380 PolarHBondContact O-OG1 3.2Å
377	N	69.5	Low	59	Low	96 Å²	96	107.2 Å²	107.2	51%	0.513	64%	0.64	S	S	.	*	H	α-helix	trans	-66.9	-34.3	177.3	-72.9	-10.2	0	0	0	112.2	V373 L374 T380 G381	V373-N377 VanDerWaalsContact O-CB 3.29Å; V373-N377 WeakPolarHBondContact O-CB 3.27Å; V373-N377 PolarHBondContact O-N 2.93Å; L374-N377 PolarHBondContact O-N 3.41Å; N377-T380 PolarHBondContact O-N 3.14Å; N377-G381 WeakPolarHBondContact O-CA 3.29Å; N377-G381 PolarHBondContact O-N 2.87Å
378	A	60	Low	57.7	Low	71 Å²	71	108.3 Å²	108.3	59%	0.587	64%	0.639	S	S	*	*	H	α-helix	trans	-67	-44.4	174.7	0	0	0	0	0	111.8	L374 H375 T376 T380 G381	L374-A378 VanDerWaalsContact O-CB 3.28Å; L374-A378 WeakPolarHBondContact O-CB 3.49Å; L374-A378 PolarHBondContact O-N 3.29Å; H375-A378 PolarHBondContact O-N 2.7Å; T376-A378 VanDerWaalsContact C-N 3.35Å; T376-A378 PolarHBondContact O-N 3.17Å; A378-T380 VanDerWaalsContact C-N 3.27Å; A378-T380 PolarHBondContact O-N 3.48Å; A378-G381 PolarHBondContact O-N 3.27Å
379	M	54.1	Low	55.9	Low	138 Å²	138	110.8 Å²	110.8	68%	0.68	65%	0.653	S	S	*	*	H	α-helix	trans	-63.5	-32.3	173.1	-74.5	-175.4	161.8	0	0	112.7	H375 T376	H375-M379 VanDerWaalsContact NE2-CE 3.27Å; H375-M379 WeakPolarHBondContact NE2-CE 3.27Å; H375-M379 PolarHBondContact O-N 3.4Å; T376-M379 PolarHBondContact O-N 3.22Å
380	T	60.6	Low	54	Low	106 Å²	106	110.3 Å²	110.3	65%	0.65	66%	0.664	S	S	*	*	H	α-helix	trans	-83.2	-19.4	178.4	-48.6	0	0	0	0	112.9	T376 N377 A378	T376-T380 WeakPolarHBondContact O-CB 3.42Å; T376-T380 PolarHBondContact O-N 3.32Å; T376-T380 PolarHBondContact O-OG1 3.2Å; N377-T380 PolarHBondContact O-N 3.14Å; A378-T380 VanDerWaalsContact C-N 3.27Å; A378-T380 PolarHBondContact O-N 3.48Å
381	G	51.6	Low	52.2	Low	62 Å²	62	108.4 Å²	108.4	64%	0.639	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-7.9	-170.7	0	0	0	0	0	116.3	N377 A378 L383	N377-G381 WeakPolarHBondContact O-CA 3.29Å; N377-G381 PolarHBondContact O-N 2.87Å; A378-G381 PolarHBondContact O-N 3.27Å; G381-L383 VanDerWaalsContact C-N 3.31Å; G381-L383 PolarHBondContact O-N 3.3Å
382	A	42.9	Very low	50.7	Low	89 Å²	89	111.5 Å²	111.5	74%	0.736	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-3.3	-170.4	0	0	0	0	0	115.6	G384	A382-G384 VanDerWaalsContact C-N 3.31Å; A382-G384 PolarHBondContact O-N 3.42Å
383	L	37.2	Very low	49.4	Very low	166 Å²	166	108 Å²	108	87%	0.869	68%	0.683	S	S	*	*			trans	-86.4	61.7	-172.2	-132.8	77.7	0	0	0	113.6	G381	G381-L383 VanDerWaalsContact C-N 3.31Å; G381-L383 PolarHBondContact O-N 3.3Å
384	G	37.3	Very low	47.2	Very low	71 Å²	71	112.2 Å²	112.2	73%	0.732	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.1	176.5	0	0	0	0	0	113.2	A382	A382-G384 VanDerWaalsContact C-N 3.31Å; A382-G384 PolarHBondContact O-N 3.42Å
385	T	48.4	Very low	45.2	Very low	134 Å²	134	115.2 Å²	115.2	82%	0.822	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-77.9	136	177	46.5	0	0	0	0	112.1
386	P	35.9	Very low	43.4	Very low	126 Å²	126	113.1 Å²	113.1	82%	0.818	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-66.7	147.7	170.9	30	-34.7	0	0	0	111
387	G	32.1	Very low	41.8	Very low	76 Å²	76	116.5 Å²	116.5	78%	0.784	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-80.3	171.2	-171.7	0	0	0	0	0	115.4
388	F	37.9	Very low	40.2	Very low	177 Å²	177	115.7 Å²	115.7	78%	0.776	75%	0.753	S	S	*	*			trans	-148.1	101.4	166.8	-167.6	-91.6	0	0	0	109.9
389	D	34.1	Very low	39.1	Very low	137 Å²	137	118.1 Å²	118.1	73%	0.733	77%	0.765	S	S	*	*			trans	39	123.9	138.2	-44.1	-19.9	0	0	0	120.5
390	G	36.2	Very low	38.8	Very low	79 Å²	79	117.4 Å²	117.4	81%	0.814	77%	0.771	S	S	*	*			trans	161.1	91.3	162.6	0	0	0	0	0	118.4
391	N	35.3	Very low	37.6	Very low	155 Å²	155	116.6 Å²	116.6	83%	0.829	78%	0.775	S	S	*	*			trans	3.7	116.7	162.5	-74.6	10.2	0	0	0	122.1
392	T	38.5	Very low	37	Very low	118 Å²	118	118.9 Å²	118.9	72%	0.724	79%	0.788	S	S	*	*				1.7	161.2	115.5	54.8	0	0	0	0	120.6
393	P	41.2	Very low	36.7	Very low	107 Å²	107	118.4 Å²	118.4	70%	0.695	79%	0.791	S	S	*	*			cis	-146.6	-157.7	-26.4	39.1	-17.2	0	0	0	114.4
394	F	29.1	Very low	37	Very low	159 Å²	159	119.6 Å²	119.6	70%	0.697	80%	0.795	S	S	*	*			trans	94.5	135.2	143.2	-110.5	-45.9	0	0	0	122.4
395	F	32.5	Very low	37.1	Very low	182 Å²	182	120 Å²	120	80%	0.798	79%	0.791	S	S	*	*			trans	65.9	153.5	164	-53.4	-67.5	0	0	0	118.1
396	G	30	Very low	36.8	Very low	68 Å²	68	121.7 Å²	121.7	70%	0.701	79%	0.792	S	S	*	*			cis	178.9	147.8	-5.9	0	0	0	0	0	113.2
397	S	34	Very low	37.4	Very low	130 Å²	130	122.4 Å²	122.4	91%	0.909	79%	0.788	S	S	*	*			trans	-39.6	143.6	179.9	52.5	0	0	0	0	119.4
398	G	34.7	Very low	38.1	Very low	79 Å²	79	124.1 Å²	124.1	81%	0.814	79%	0.785	S	S	*	*			trans	175	124.8	159.7	0	0	0	0	0	116.6
399	S	37.2	Very low	38.3	Very low	121 Å²	121	118.4 Å²	118.4	85%	0.846	78%	0.776	S	S	*	*			trans	-124.8	-178.7	165.7	-41.1	0	0	0	0	108
400	P	48.7	Very low	38.5	Very low	123 Å²	123	119.8 Å²	119.8	80%	0.799	78%	0.777	S	S	*	*			cis	-136.5	-155.1	-7.2	38.1	-16.2	0	0	0	113
401	A	35.2	Very low	38.5	Very low	89 Å²	89	124.1 Å²	124.1	74%	0.736	77%	0.774	S	S	*	*			trans	98.5	107.9	144.6	0	0	0	0	0	121.9
402	A	39.4	Very low	38.6	Very low	110 Å²	110	123.3 Å²	123.3	91%	0.909	77%	0.767	S	S	*	*				54	121.9	128.1	0	0	0	0	0	122.3
403	G	35.6	Very low	38.4	Very low	79 Å²	79	120.9 Å²	120.9	81%	0.814	77%	0.766	S	S	*	*			trans	-159.8	105.8	165	0	0	0	0	0	112.8
404	M	43.8	Very low	38.4	Very low	191 Å²	191	123.8 Å²	123.8	94%	0.941	77%	0.772	S	S	*	*			trans	-54.6	154.3	172.6	-75.3	-72.7	-165.1	0	0	113.2
405	A	39.3	Very low	38.8	Very low	80 Å²	80	122 Å²	122	66%	0.661	77%	0.774	S	S	*	*			cis	-157.9	-133.3	-8.1	0	0	0	0	0	108.6
406	M	43.1	Very low	39.6	Very low	170 Å²	170	118.3 Å²	118.3	84%	0.837	77%	0.768	S	S	*	*			cis	-159.9	-174.3	3.7	-138.4	-30.3	179.2	0	0	110.8
407	I	47.3	Very low	39.8	Very low	141 Å²	141	120 Å²	120	72%	0.723	77%	0.769	S	S	*	*			trans	-138.6	-157.4	177.5	-15.1	177.2	0	0	0	107.3
408	P	47	Very low	40	Very low	112 Å²	112	119.6 Å²	119.6	73%	0.727	77%	0.767	S	S	*	*			cis	-125.5	-170.6	12.9	41	-20.7	0	0	0	113.6
409	G	42.2	Very low	40.2	Very low	57 Å²	57	119.2 Å²	119.2	59%	0.588	76%	0.763	S	S	*	*			cis	-163	161.4	4	0	0	0	0	0	112.2
410	H	38.4	Very low	40.2	Very low	165 Å²	165	121.6 Å²	121.6	76%	0.764	77%	0.765	S	S	*	*				78.8	143.8	82.2	-64.8	120	0	0	0	113.5
411	F	35.5	Very low	39.5	Very low	171 Å²	171	121.4 Å²	121.4	75%	0.75	77%	0.767	S	S	*	*			cis	-151.4	175.2	22.6	-173	-110.2	0	0	0	114.8
412	M	37.8	Very low	39.9	Very low	138 Å²	138	123.7 Å²	123.7	68%	0.68	77%	0.771	S	S	*	*			trans	-73.2	178.3	178.3	-62.1	109.4	71.5	0	0	114.6
413	G	34.9	Very low	40	Very low	67 Å²	67	124.2 Å²	124.2	69%	0.691	77%	0.765	S	S	*	*			cis	151.7	-151.7	-3.7	0	0	0	0	0	112.7
414	M	41	Very low	39.9	Very low	167 Å²	167	125.7 Å²	125.7	82%	0.823	76%	0.763	S	S	*	*			trans	96.5	113.2	163	-50.1	-161.8	79.9	0	0	122.6
415	T	37.6	Very low	40.2	Very low	121 Å²	121	124.2 Å²	124.2	74%	0.742	76%	0.756	S	S	*	*			trans	65.9	175.1	131.2	64.2	0	0	0	0	121.3
416	P	48.5	Very low	40.6	Very low	105 Å²	105	125.7 Å²	125.7	68%	0.682	76%	0.759	S	S	*	*				-137.6	180	-56.7	40.1	-24.8	0	0	0	115.9
417	S	35.4	Very low	40.7	Very low	103 Å²	103	123.4 Å²	123.4	72%	0.72	76%	0.757	S	S	*	*			trans	88.2	147.5	141.6	83.3	0	0	0	0	122.8
418	S	38.3	Very low	40.2	Very low	122 Å²	122	120.2 Å²	120.2	85%	0.853	76%	0.759	S	S	*	*			trans	65.6	133.4	147.2	-53.6	0	0	0	0	121.9
419	G	37.9	Very low	40.1	Very low	71 Å²	71	123.8 Å²	123.8	73%	0.732	77%	0.768	S	S	*	*			trans	137.5	78.3	146.6	0	0	0	0	0	120
420	L	36.7	Very low	40.4	Very low	171 Å²	171	126.8 Å²	126.8	90%	0.895	78%	0.777	S	S	*	*			trans	30.2	115.9	138.2	-59.4	166.3	0	0	0	120.6
421	S	34.4	Very low	40.2	Very low	120 Å²	120	124.3 Å²	124.3	84%	0.839	78%	0.776	S	S	*	*				156	120.6	115.3	-67.5	0	0	0	0	115.1
422	V	44.1	Very low	40.1	Very low	136 Å²	136	123.4 Å²	123.4	82%	0.824	78%	0.778	S	S	*	*			trans	-61.6	175.9	158	-76.8	0	0	0	0	112.3
423	P	41.9	Very low	39.6	Very low	121 Å²	121	124.5 Å²	124.5	79%	0.786	79%	0.785	S	S	*	*			cis	-126.1	-175.8	3.1	16.9	9.8	0	0	0	112.8
424	S	32	Very low	39.7	Very low	110 Å²	110	129 Å²	129	77%	0.769	79%	0.792	S	S	*	*			cis	176.4	143.8	-21.3	-179.5	0	0	0	0	106.6
425	M	50.2	Low	39.5	Very low	160 Å²	160	126.1 Å²	126.1	79%	0.788	79%	0.786	S	S	*	*			trans	-66	-176.5	156.5	-77.3	-167.9	81	0	0	109.8
426	P	47.7	Very low	39.5	Very low	112 Å²	112	126.2 Å²	126.2	73%	0.727	79%	0.789	S	S	*	*			cis	-157.1	-150.9	36.2	47.1	-22.6	0	0	0	114.8
427	P	45.3	Very low	38.7	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	79%	0.791	S	S	*	*			cis	-116.7	-164.4	-29.1	22.7	0.2	0	0	0	111.2
428	G	37.4	Very low	38.6	Very low	74 Å²	74	129.4 Å²	129.4	76%	0.763	80%	0.797	S	S	*	*			trans	176.9	-32.9	161.8	0	0	0	0	0	120.3
429	M	44.8	Very low	38.4	Very low	186 Å²	186	128.1 Å²	128.1	92%	0.916	79%	0.794	S	S	*	*			trans	-87.9	133.1	-176.7	-74.4	-174.9	171.9	0	0	113
430	P	49.2	Very low	38.2	Very low	121 Å²	121	128 Å²	128	79%	0.786	79%	0.793	S	S	*	*			trans	-78.1	135.6	154.9	32.2	-30.5	0	0	0	110
431	P	34.4	Very low	38.1	Very low	112 Å²	112	126.8 Å²	126.8	73%	0.727	79%	0.785	S	S	*	*			trans	-96.5	175.7	-175.1	38.9	-37.5	0	0	0	113.9
432	L	32.9	Very low	38.1	Very low	152 Å²	152	127.8 Å²	127.8	80%	0.796	78%	0.781	S	S	*	*			trans	21	128.2	143.2	-60.1	170	0	0	0	119.5
433	I	27.9	Very low	37.6	Very low	161 Å²	161	125.4 Å²	125.4	83%	0.826	78%	0.776	S	S	*	*				-164.1	138.6	128.3	-102.3	149.9	0	0	0	110
434	L	37	Very low	37.3	Very low	163 Å²	163	127.1 Å²	127.1	85%	0.853	78%	0.777	S	S	*	*			trans	-94.6	127.9	164.9	-85.5	76.4	0	0	0	109.8
435	P	36.4	Very low	38	Very low	106 Å²	106	127 Å²	127	69%	0.688	77%	0.774	S	S	*	*			trans	-91.2	164.5	148.5	33.1	-25.8	0	0	0	110.7
436	P	37.7	Very low	37.4	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	77%	0.772	S	S	*	*				-105.1	169.1	-128.6	-2.5	23.1	0	0	0	117.5
437	S	31	Very low	37.1	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	77%	0.771	S	S	*	*			trans	-38.5	139.8	150.3	-175.5	0	0	0	0	113.3
438	M	33.6	Very low	36.6	Very low	169 Å²	169	125.5 Å²	125.5	83%	0.833	77%	0.772	S	S	*	*				-177.8	141.3	100.8	-90.9	-167.2	84	0	0	113.6
439	A	33.4	Very low	36.6	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	78%	0.779	S	S	*	*			trans	57.5	138.5	155.9	0	0	0	0	0	120.8
440	G	33.4	Very low	36.1	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	77%	0.774	S	S	*	*			trans	-179.5	-39.9	174.4	0	0	0	0	0	113.3
441	I	35.8	Very low	35.3	Very low	145 Å²	145	128.6 Å²	128.6	74%	0.744	78%	0.775	S	S	*	*			trans	65.1	142	162.2	0.1	180	0	0	0	120.2
442	N	34.3	Very low	35.2	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	78%	0.78	S	S	*	*			trans	72.7	138.4	160.7	-57.6	-30.2	0	0	0	118.7
443	A	34	Very low	35.3	Very low	85 Å²	85	131 Å²	131	70%	0.702	78%	0.783	S	S	*	*			cis	-172.7	150.6	-15.4	0	0	0	0	0	106.9
444	I	36.1	Very low	35.8	Very low	157 Å²	157	130.7 Å²	130.7	81%	0.805	78%	0.782	S	S	*	*			cis	-174.3	158	-15.1	-111.6	161.4	0	0	0	104.3
445	P	44.9	Very low	36	Very low	109 Å²	109	129.1 Å²	129.1	71%	0.708	78%	0.782	S	S	*	*			trans	-132.4	-138.3	-141.2	43.9	-27.1	0	0	0	114.4
446	S	38.2	Very low	35.9	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	79%	0.789	S	S	*	*			trans	98.4	142.9	160.9	-59.3	0	0	0	0	117.5
447	S	42.6	Very low	36	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	79%	0.789	S	S	*	*			cis	-168	152.7	-7.1	43.8	0	0	0	0	114.1
448	N	33.6	Very low	36.3	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	79%	0.785	S	S	*	*			trans	13.7	154.7	139.4	-66.4	-3.7	0	0	0	120.7
449	M	37.3	Very low	36.6	Very low	182 Å²	182	131.9 Å²	131.9	90%	0.897	79%	0.788	S	S	*	*				-151.7	-169.8	55.9	-47.3	-164.8	-175.7	0	0	114.6
450	T	33.8	Very low	36.7	Very low	133 Å²	133	130.5 Å²	130.5	82%	0.816	78%	0.783	S	S	*	*			trans	-125.1	-165.9	-176.6	58.7	0	0	0	0	112.4
451	T	33.9	Very low	36.8	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	80%	0.796	S	S	*	*				-155.6	-170.4	73.8	59	0	0	0	0	115.4
452	K	31.9	Very low	36.7	Very low	193 Å²	193	131.7 Å²	131.7	84%	0.839	79%	0.789	S	S	*	*			trans	-59.4	168	159.2	-54.7	170.2	-176.8	176.9	0	110.8
453	S	35.5	Very low	36.7	Very low	122 Å²	122	129.2 Å²	129.2	85%	0.853	80%	0.796	S	S	*	*			cis	-163.3	173.3	39.4	54.6	0	0	0	0	116.9
454	L	38.2	Very low	36.5	Very low	154 Å²	154	128.7 Å²	128.7	81%	0.806	80%	0.799	S	S	*	*			trans	-74.5	165.8	171.1	-105.4	159.6	0	0	0	113
455	P	40.8	Very low	36.3	Very low	130 Å²	130	131.9 Å²	131.9	84%	0.844	80%	0.803	S	S	*	*				-151.1	-160.6	81.7	43.3	-22.6	0	0	0	116.9
456	E	33.4	Very low	35.8	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	81%	0.811	S	S	*	*			trans	-126.9	151.2	-160.7	169.5	-167.6	126.7	0	0	113
457	V	41.3	Very low	35.5	Very low	133 Å²	133	141.2 Å²	141.2	81%	0.806	82%	0.815	S	S	*	*			trans	-159.6	133.2	157.8	-95.2	0	0	0	0	107
458	A	36.8	Very low	35.2	Very low	78 Å²	78	141.8 Å²	141.8	65%	0.645	82%	0.819	S	S	*	*				61.4	128.7	71	0	0	0	0	0	112.3
459	D	38.9	Very low	35.1	Very low	168 Å²	168	146.2 Å²	146.2	90%	0.898	82%	0.824	S	S	*	*			cis	-132.2	-177.1	13.9	-61.7	-68.1	0	0	0	110.7
460	G	35.8	Very low	35.1	Very low	67 Å²	67	141.2 Å²	141.2	69%	0.691	82%	0.819	S	S	*	*			cis	152	131.3	-8.3	0	0	0	0	0	112.8
461	D	36.2	Very low	35.8	Very low	183 Å²	183	140.7 Å²	140.7	98%	0.979	82%	0.818	S	S	*	*			trans	62	162.2	171	-135.8	30.5	0	0	0	117.8
462	G	33.4	Very low	35.9	Very low	57 Å²	57	139.3 Å²	139.3	59%	0.588	82%	0.82	S	S	*	*			cis	175.8	137.1	-7.5	0	0	0	0	0	113.7
463	G	33.2	Very low	36.6	Very low	89 Å²	89	135.1 Å²	135.1	92%	0.918	82%	0.815	S	S	*	*			trans	70.4	176.5	172.3	0	0	0	0	0	116.5
464	G	31.8	Very low	37	Very low	74 Å²	74	135.3 Å²	135.3	76%	0.763	82%	0.816	S	S	*	*			cis	-176.8	149.9	-5.8	0	0	0	0	0	112.1
465	Y	31.3	Very low	37.1	Very low	224 Å²	224	131.7 Å²	131.7	88%	0.878	82%	0.816	S	S	*	*			trans	-66.2	148.8	-178.6	-46	-97.5	0	0	0	113.3
466	H	34.6	Very low	37.2	Very low	188 Å²	188	132 Å²	132	87%	0.87	82%	0.815	S	S	*	*				-179	169.2	120.3	-110.8	-106.9	0	0	0	115
467	R	30.9	Very low	37.5	Very low	225 Å²	225	130.3 Å²	130.3	85%	0.849	82%	0.817	S	S	*	*			trans	-88.3	152.9	176	-52.6	170.6	176.9	179	-2.7	111.7
468	S	36	Very low	37.3	Very low	113 Å²	113	127.6 Å²	127.6	79%	0.79	82%	0.816	S	S	*	*				155	121.2	117.7	-70.9	0	0	0	0	118.4
469	R	31.6	Very low	37.4	Very low	246 Å²	246	127.4 Å²	127.4	93%	0.928	82%	0.822	S	S	*	*				68.7	95.7	116.7	-159.9	-173.2	-165	-176.6	4.3	123.3
470	G	37.8	Very low	37.7	Very low	76 Å²	76	126.1 Å²	126.1	78%	0.784	82%	0.822	S	S	*	*			trans	75.1	-171.4	140.6	0	0	0	0	0	118.5
471	P	47.9	Very low	37.8	Very low	123 Å²	123	126 Å²	126	80%	0.799	82%	0.821	S	S	*	*			cis	-136.5	170	-1.9	42.9	-27.2	0	0	0	116.9
472	A	37.6	Very low	38.1	Very low	102 Å²	102	123.1 Å²	123.1	84%	0.843	82%	0.815	S	S	*	*			trans	54.7	160.2	149.5	0	0	0	0	0	120.7
473	S	44.8	Very low	38.5	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	83%	0.825	S	S	*	*			cis	-156.6	169	18.2	59.3	0	0	0	0	113.5
474	S	44	Very low	38.6	Very low	126 Å²	126	131.2 Å²	131.2	88%	0.881	82%	0.82	S	S	*	*			trans	25.2	144.2	155.4	-52.7	0	0	0	0	121.9
475	G	41	Very low	39	Very low	78 Å²	78	133.5 Å²	133.5	80%	0.804	82%	0.82	S	S	*	*			cis	166.4	-175.7	7.9	0	0	0	0	0	108.3
476	V	42	Very low	39.1	Very low	135 Å²	135	130.6 Å²	130.6	82%	0.818	82%	0.819	S	S	*	*			cis	-166.8	146.3	-3.4	89.1	0	0	0	0	109.4
477	V	40.5	Very low	39.2	Very low	147 Å²	147	124.8 Å²	124.8	89%	0.891	81%	0.811	S	S	*	*			trans	58.2	145	166.2	-178	0	0	0	0	117.1
478	G	38	Very low	39.5	Very low	76 Å²	76	119.2 Å²	119.2	78%	0.784	81%	0.806	S	S	*	*			cis	155.9	161.6	3.5	0	0	0	0	0	106.4
479	G	37.4	Very low	39.6	Very low	74 Å²	74	125.1 Å²	125.1	76%	0.763	81%	0.811	S	S	*	*			cis	170.6	164.9	10.3	0	0	0	0	0	107.2
480	P	46.8	Very low	39.9	Very low	140 Å²	140	118.5 Å²	118.5	91%	0.909	80%	0.802	S	S	*	*			trans	-120.3	166	-157.5	40.9	-31.3	0	0	0	118.1
481	G	37.4	Very low	39.7	Very low	65 Å²	65	119 Å²	119	67%	0.67	81%	0.808	S	S	*	*			trans	-179.8	131	167.1	0	0	0	0	0	111.6
482	S	41.5	Very low	39.1	Very low	123 Å²	123	117.2 Å²	117.2	86%	0.86	81%	0.812	S	S	*	*				65	121.7	74.4	-62	0	0	0	0	112.5
483	T	43.1	Very low	38.8	Very low	130 Å²	130	120.9 Å²	120.9	80%	0.798	81%	0.811	S	S	*	*			cis	-158.5	147.4	37.6	44.7	0	0	0	0	110.3
484	K	35.3	Very low	38.4	Very low	185 Å²	185	120.8 Å²	120.8	80%	0.804	81%	0.806	S	S	*	*				82.1	145.2	70.3	-151	-174.1	-178.6	-179.7	0	114.8
485	T	39.7	Very low	38	Very low	123 Å²	123	120.6 Å²	120.6	76%	0.755	80%	0.8	S	S	*	*			trans	78.2	149.7	169	70.6	0	0	0	0	118.3
486	N	32.9	Very low	38	Very low	162 Å²	162	122.4 Å²	122.4	87%	0.866	80%	0.795	S	S	*	*			cis	-165.3	138.4	-38	-139.5	30.4	0	0	0	112
487	G	36.2	Very low	37.7	Very low	67 Å²	67	123 Å²	123	69%	0.691	79%	0.794	S	S	*	*			trans	70.5	174.4	163.7	0	0	0	0	0	117.1
488	S	39	Very low	37.6	Very low	107 Å²	107	120 Å²	120	75%	0.748	78%	0.784	S	S	*	*			cis	-170.8	139.1	-12.7	-94	0	0	0	0	109.9
489	R	36.9	Very low	37.6	Very low	237 Å²	237	126.4 Å²	126.4	89%	0.894	79%	0.791	S	S	*	*			trans	54	147.5	145.9	-65.4	177.9	176.4	-177.9	-4	119.5
490	S	37.6	Very low	37.6	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	79%	0.79	S	S	*	*			cis	-179.8	144.1	-10	47.6	0	0	0	0	109.8
491	G	33.6	Very low	37.2	Very low	88 Å²	88	125.3 Å²	125.3	91%	0.907	78%	0.781	S	S	*	*			trans	78.2	159.2	162.1	0	0	0	0	0	116.6
492	G	36.7	Very low	37.3	Very low	85 Å²	85	130.9 Å²	130.9	88%	0.876	79%	0.79	S	S	*	*			trans	139.7	83	-178.1	0	0	0	0	0	111.6
493	E	31.3	Very low	37.1	Very low	178 Å²	178	130 Å²	130	83%	0.832	78%	0.784	S	S	*	*			trans	-103.8	166.9	-173.7	-154.1	-178	120	0	0	111.8
494	T	35.1	Very low	36.6	Very low	103 Å²	103	130.8 Å²	130.8	63%	0.632	78%	0.783	S	S	*	*			trans	73.5	137.8	162.4	67.3	0	0	0	0	121.1
495	T	35.7	Very low	36.7	Very low	122 Å²	122	129.6 Å²	129.6	75%	0.748	78%	0.784	S	S	*	*			trans	68.1	148.5	142.4	58.5	0	0	0	0	121.6
496	V	41.1	Very low	36.6	Very low	117 Å²	117	129.7 Å²	129.7	71%	0.709	79%	0.79	S	S	*	*			cis	-157.9	169.7	-37.3	-88	0	0	0	0	109
497	D	35.1	Very low	36.4	Very low	146 Å²	146	125.6 Å²	125.6	78%	0.781	79%	0.786	S	S	*	*			trans	73.2	99.2	147.9	-67.6	-29.7	0	0	0	123.7
498	A	39.8	Very low	36.3	Very low	84 Å²	84	127.5 Å²	127.5	69%	0.694	80%	0.795	S	S	*	*				97.8	138.9	102.9	0	0	0	0	0	123.9
499	K	37.5	Very low	35.9	Very low	211 Å²	211	130.5 Å²	130.5	92%	0.917	80%	0.803	S	S	*	*			trans	75.8	128.3	156.8	-70.9	167.2	179.9	169.3	0	119.5
500	G	37.2	Very low	35.5	Very low	73 Å²	73	122.9 Å²	122.9	75%	0.753	80%	0.797	S	S	*	*			trans	174	9.2	-179	0	0	0	0	0	120.1
501	T	39.2	Very low	35.5	Very low	118 Å²	118	126.5 Å²	126.5	72%	0.724	80%	0.8	S	S	*	*			trans	59.4	98.1	137.5	-46.3	0	0	0	0	122.1
502	Q	38.1	Very low	35.4	Very low	182 Å²	182	127.8 Å²	127.8	85%	0.85	80%	0.795	S	S	*	*			trans	75.3	148.6	138.2	-65.8	-170.6	44.7	0	0	124.9
503	S	37.1	Very low	35.8	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	79%	0.792	S	S	*	*			trans	109	79.9	157.9	-166.1	0	0	0	0	116
504	L	33	Very low	36.9	Very low	148 Å²	148	126 Å²	126	78%	0.775	78%	0.784	S	S	*	*				82.3	134.9	81.3	-85.1	167.5	0	0	0	116.2
505	L	38.4	Very low	38.3	Very low	159 Å²	159	124.5 Å²	124.5	83%	0.832	78%	0.778	S	S	*	*			trans	88	126.4	164.9	-64.5	141.1	0	0	0	119.7
506	S	36.1	Very low	40.5	Very low	125 Å²	125	119.3 Å²	119.3	87%	0.874	75%	0.746	S	S	*	*			trans	79.7	119.7	165.8	-39.3	0	0	0	0	117.4
507	G	30.5	Very low	42.6	Very low	76 Å²	76	116.2 Å²	116.2	78%	0.784	73%	0.727	S	S	*	*			cis	171.1	105.7	-7.8	0	0	0	0	0	114.6
508	A	32.6	Very low	45	Very low	107 Å²	107	112.2 Å²	112.2	88%	0.884	71%	0.708	S	S	*	*			trans	33.5	105.6	157.3	0	0	0	0	0	120.3
509	N	31.9	Very low	47.1	Very low	171 Å²	171	112.7 Å²	112.7	91%	0.914	71%	0.712	S	S	*	*				-153.3	114.5	120	-156.1	18.3	0	0	0	109.4
510	G	28	Very low	49.4	Very low	76 Å²	76	104.2 Å²	104.2	78%	0.784	68%	0.679	S	S	*	*			trans	-142.1	110.6	-176.5	0	0	0	0	0	110.8
511	K	37	Very low	51.8	Low	184 Å²	184	105.1 Å²	105.1	80%	0.8	67%	0.667	S	S	*	*			trans	-108.5	135.4	161.8	-75.8	-172.3	169.1	-165.2	0	107.4	S513	K511-S513 PolarHBondContact O-N 3.29Å
512	S	32.6	Very low	54.2	Low	115 Å²	115	100.8 Å²	100.8	80%	0.804	64%	0.639	S	S	*	*			trans	-80	102.3	177.4	46.9	0	0	0	0	110.7	T514	S512-T514 PolarHBondContact O-N 3.08Å
513	S	44.3	Very low	56.5	Low	116 Å²	116	92.8 Å²	92.8	81%	0.811	60%	0.604	S	S	*	*			trans	-67.5	106.4	162.4	53.4	0	0	0	0	108.9	K511 S515	K511-S513 PolarHBondContact O-N 3.29Å; S513-S515 PolarHBondContact O-N 3.01Å
514	T	55.4	Low	58.8	Low	108 Å²	108	90.8 Å²	90.8	66%	0.663	59%	0.59	S	S	*	*			trans	-66.1	110	167.1	42.3	0	0	0	0	108.5	S512 L516	S512-T514 PolarHBondContact O-N 3.08Å; T514-L516 PolarHBondContact O-N 3.46Å
515	S	63.8	Low	61.6	Low	73 Å²	73	83.8 Å²	83.8	51%	0.51	55%	0.553	S	S	.	*			trans	-56.9	113.6	171.2	156.6	0	0	0	0	108.3	S513 D566	S513-S515 PolarHBondContact O-N 3.01Å; S515-D566 PolarHBondContact OG-OD2 3.47Å
516	L	82.4	Confident	64.1	Low	13 Å²	13	76.2 Å²	76.2	7%	0.068	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.1	167.3	-65.7	170	0	0	0	107.5	T514 V525 D528 W560 V565 D566	T514-L516 PolarHBondContact O-N 3.46Å; L516-V525 HydrophobicContact CD1-CG1 4.48Å; L516-V525 HydrophobicContact CD1-CG2 4.27Å; L516-V525 HydrophobicContact CD2-CG2 4.3Å; L516-D528 HydrophobicContact CD1-CB 3.71Å; L516-W560 HydrophobicContact CD1-CH2 4.04Å; L516-V565 HydrophobicContact CB-CG1 4.49Å; L516-V565 HydrophobicContact CB-CG2 4.09Å; L516-V565 HydrophobicContact CD1-CG2 4.3Å; L516-V565 CarbonylContact O-C 3.57Å; L516-V565 WeakPolarHBondContact O-CA 3.41Å; L516-D566 PolarHBondContact O-N 3.01Å
517	T	85.2	Confident	66.5	Low	51 Å²	51	74.1 Å²	74.1	31%	0.313	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	166.4	175.7	67.2	0	0	0	0	110.2	A519 S520 V565 D566	T517-A519 PolarHBondContact O-N 2.69Å; T517-A519 PolarHBondContact OG1-N 2.81Å; T517-S520 PolarHBondContact N-OG 2.9Å; T517-S520 VanDerWaalsContact O-CB 3.23Å; T517-S520 WeakPolarHBondContact O-CB 3.45Å; T517-S520 PolarHBondContact O-N 3.04Å; T517-S520 PolarHBondContact O-OG 3.22Å; T517-S520 PolarHBondContact OG1-N 2.95Å; T517-S520 PolarHBondContact OG1-OG 3.29Å; T517-V565 WeakPolarHBondContact O-CG1 3.22Å; T517-D566 CarbonylContact C-O 3.49Å; T517-D566 WeakPolarHBondContact CA-O 3.31Å; T517-D566 HydrophobicContact CG2-CB 4.38Å
518	V	84.8	Confident	69.2	Low	62 Å²	62	72.9 Å²	72.9	38%	0.376	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.4	172.4	-175.9	0	0	0	0	112.3	V565 D566 F568	V518-V565 HydrophobicContact CG2-CG1 4.17Å; V518-D566 PolarHBondContact N-O 3.3Å; V518-F568 HydrophobicContact CB-CE1 4.43Å; V518-F568 HydrophobicContact CG1-CE1 4.03Å; V518-F568 HydrophobicContact CG2-CD1 3.58Å; V518-F568 HydrophobicContact CG2-CD2 4.27Å; V518-F568 HydrophobicContact CG2-CE1 3.5Å; V518-F568 VanDerWaalsContact CG2-CE1 3.5Å; V518-F568 HydrophobicContact CG2-CE2 4.23Å; V518-F568 HydrophobicContact CG2-CG 3.96Å; V518-F568 HydrophobicContact CG2-CZ 3.84Å
519	A	83.9	Confident	71.9	Confident	95 Å²	95	67.8 Å²	67.8	79%	0.785	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.3	172.2	0	0	0	0	0	114.4	T517	T517-A519 PolarHBondContact O-N 2.69Å; T517-A519 PolarHBondContact OG1-N 2.81Å
520	S	86.5	Confident	74.5	Confident	32 Å²	32	62.1 Å²	62.1	22%	0.224	39%	0.392	C	S	.	.	S	Bend	trans	-70.9	144.3	169.9	-62.1	0	0	0	0	110.2	T517	T517-S520 PolarHBondContact N-OG 2.9Å; T517-S520 VanDerWaalsContact O-CB 3.23Å; T517-S520 WeakPolarHBondContact O-CB 3.45Å; T517-S520 PolarHBondContact O-N 3.04Å; T517-S520 PolarHBondContact O-OG 3.22Å; T517-S520 PolarHBondContact OG1-N 2.95Å; T517-S520 PolarHBondContact OG1-OG 3.29Å
521	D	87.6	Confident	77	Confident	93 Å²	93	62.4 Å²	62.4	50%	0.497	37%	0.374	S	S	.	.			trans	-61.1	144.7	179.7	179.6	35.2	0	0	0	111.7	A523 S524 V525	D521-A523 PolarHBondContact O-N 2.96Å; D521-A523 VanDerWaalsContact OD2-CB 3.27Å; D521-A523 WeakPolarHBondContact OD2-CB 3.21Å; D521-S524 WeakPolarHBondContact O-CB 3.4Å; D521-S524 PolarHBondContact O-N 2.75Å; D521-V525 PolarHBondContact O-N 3.4Å
522	M	88.5	Confident	78.5	Confident	27 Å²	27	59.9 Å²	59.9	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-32.6	-177.3	-58.3	-169.5	68.5	0	0	111.3	V526 Y577 N580 L581 Y584 Y586	M522-V526 WeakPolarHBondContact O-CB 3.33Å; M522-V526 WeakPolarHBondContact O-CG2 3.38Å; M522-V526 PolarHBondContact O-N 3.27Å; M522-Y577 HydrophobicContact CE-CE1 4.32Å; M522-N580 HydrophobicContact CE-CB 3.85Å; M522-L581 HydrophobicContact CE-CB 4.39Å; M522-L581 HydrophobicContact CE-CD2 3.69Å; M522-L581 HydrophobicContact CE-CG 3.77Å; M522-Y584 HydrophobicContact CE-CD2 4.05Å; M522-Y584 HydrophobicContact SD-CD2 3.7Å; M522-Y584 HydrophobicContact SD-CE2 3.95Å; M522-Y586 HydrophobicContact CB-CD2 4.21Å; M522-Y586 HydrophobicContact CB-CE2 3.61Å; M522-Y586 HydrophobicContact CE-CD2 4.46Å; M522-Y586 HydrophobicContact SD-CE2 4.48Å
523	A	86.9	Confident	80.7	Confident	14 Å²	14	59.7 Å²	59.7	12%	0.116	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-39	172	0	0	0	0	0	112.4	D521 V526 H527 Y586 L611	D521-A523 PolarHBondContact O-N 2.96Å; D521-A523 VanDerWaalsContact OD2-CB 3.27Å; D521-A523 WeakPolarHBondContact OD2-CB 3.21Å; A523-V526 PolarHBondContact O-N 3.06Å; A523-H527 WeakPolarHBondContact O-CB 3.36Å; A523-H527 PolarHBondContact O-N 3.35Å; A523-Y586 HydrophobicContact CB-CE1 4.11Å; A523-L611 HydrophobicContact CB-CD1 3.63Å; A523-L611 HydrophobicContact CB-CD2 4.14Å
524	S	86.4	Confident	82.6	Confident	62 Å²	62	54.7 Å²	54.7	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-66.8	-42.7	176.7	-51.3	0	0	0	0	112.2	D521 V526 H527 D528	D521-S524 WeakPolarHBondContact O-CB 3.4Å; D521-S524 PolarHBondContact O-N 2.75Å; S524-V526 VanDerWaalsContact C-N 3.33Å; S524-V526 PolarHBondContact O-N 3.18Å; S524-H527 PolarHBondContact O-N 2.9Å; S524-D528 PolarHBondContact O-N 2.91Å; S524-D528 VanDerWaalsContact O-N 3.08Å
525	V	91.2	Very high	83.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-41.2	175.7	177.8	0	0	0	0	110.8	L516 D521 D528 M529 W560 L561 V565 Y577	L516-V525 HydrophobicContact CD1-CG1 4.48Å; L516-V525 HydrophobicContact CD1-CG2 4.27Å; L516-V525 HydrophobicContact CD2-CG2 4.3Å; D521-V525 PolarHBondContact O-N 3.4Å; V525-D528 PolarHBondContact O-N 2.82Å; V525-M529 HydrophobicContact CG1-SD 4.34Å; V525-M529 VanDerWaalsContact O-CG 3.26Å; V525-M529 WeakPolarHBondContact O-CG 3.37Å; V525-M529 PolarHBondContact O-N 3.08Å; V525-W560 HydrophobicContact CG1-CH2 4.34Å; V525-W560 HydrophobicContact CG1-CZ3 3.86Å; V525-L561 HydrophobicContact CG1-CD2 3.91Å; V525-V565 HydrophobicContact CG1-CG2 3.87Å; V525-V565 HydrophobicContact CG2-CG2 4.39Å; V525-Y577 HydrophobicContact CG1-CE1 4.15Å; V525-Y577 WeakPolarHBondContact CG2-OH 3.27Å
526	V	91	Very high	85.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.3	-34.8	177.3	167.4	0	0	0	0	112.8	M522 A523 S524 M529 L530 L581 Y586 F604 A608	M522-V526 WeakPolarHBondContact O-CB 3.33Å; M522-V526 WeakPolarHBondContact O-CG2 3.38Å; M522-V526 PolarHBondContact O-N 3.27Å; A523-V526 PolarHBondContact O-N 3.06Å; S524-V526 VanDerWaalsContact C-N 3.33Å; S524-V526 PolarHBondContact O-N 3.18Å; V526-M529 HydrophobicContact CG2-SD 4.33Å; V526-M529 WeakPolarHBondContact O-CB 3.49Å; V526-M529 PolarHBondContact O-N 3.35Å; V526-L530 HydrophobicContact CG1-CD1 3.94Å; V526-L530 WeakPolarHBondContact O-CD1 3.38Å; V526-L530 WeakPolarHBondContact O-CG 3.49Å; V526-L530 PolarHBondContact O-N 2.85Å; V526-L530 VanDerWaalsContact O-N 3.13Å; V526-L581 HydrophobicContact CG2-CD2 3.44Å; V526-L581 VanDerWaalsContact CG2-CD2 3.44Å; V526-Y586 HydrophobicContact CB-CD1 4.27Å; V526-Y586 HydrophobicContact CG1-CD1 4.27Å; V526-Y586 HydrophobicContact CG2-CD1 3.87Å; V526-Y586 HydrophobicContact CG2-CG 4.03Å; V526-F604 HydrophobicContact CG1-CD1 4.1Å; V526-F604 HydrophobicContact CG1-CE1 4.19Å; V526-A608 HydrophobicContact CG1-CB 3.46Å; V526-A608 VanDerWaalsContact CG1-CB 3.46Å
527	H	86.3	Confident	85.4	Confident	81 Å²	81	54.1 Å²	54.1	38%	0.375	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-46.4	173.1	-176.9	90	0	0	0	111	A523 S524 M529 L530 M531	A523-H527 WeakPolarHBondContact O-CB 3.36Å; A523-H527 PolarHBondContact O-N 3.35Å; S524-H527 PolarHBondContact O-N 2.9Å; H527-M529 PolarHBondContact O-N 3.26Å; H527-L530 WeakPolarHBondContact O-CB 3.46Å; H527-L530 PolarHBondContact O-N 3.43Å; H527-L530 VanDerWaalsContact O-N 3.09Å; H527-M531 PolarHBondContact O-N 2.91Å
528	D	87.4	Confident	85.7	Confident	50 Å²	50	54.2 Å²	54.2	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-39.8	175.9	-166.6	68.1	0	0	0	112.3	L516 S524 V525 L530 M531 S534 W560	L516-D528 HydrophobicContact CD1-CB 3.71Å; S524-D528 PolarHBondContact O-N 2.91Å; S524-D528 VanDerWaalsContact O-N 3.08Å; V525-D528 PolarHBondContact O-N 2.82Å; D528-L530 PolarHBondContact O-N 3Å; D528-M531 VanDerWaalsContact O-CB 3.3Å; D528-M531 WeakPolarHBondContact O-CB 3.45Å; D528-M531 PolarHBondContact O-N 2.97Å; D528-M531 VanDerWaalsContact O-N 3.08Å; D528-S534 WeakPolarHBondContact O-CB 3.49Å; D528-W560 HydrophobicContact CB-CH2 4.34Å; D528-W560 VanDerWaalsContact OD2-CZ2 3.3Å; D528-W560 WeakPolarHBondContact OD2-CZ2 3.3Å
529	M	89.5	Confident	85.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.8	-34	171.6	-70.9	167.6	55.7	0	0	113	V525 V526 H527 M531 S534 L536 I538 L557 W560 L581 F604	V525-M529 HydrophobicContact CG1-SD 4.34Å; V525-M529 VanDerWaalsContact O-CG 3.26Å; V525-M529 WeakPolarHBondContact O-CG 3.37Å; V525-M529 PolarHBondContact O-N 3.08Å; V526-M529 HydrophobicContact CG2-SD 4.33Å; V526-M529 WeakPolarHBondContact O-CB 3.49Å; V526-M529 PolarHBondContact O-N 3.35Å; H527-M529 PolarHBondContact O-N 3.26Å; M529-M531 VanDerWaalsContact C-N 3.35Å; M529-S534 WeakPolarHBondContact O-CB 3.5Å; M529-S534 PolarHBondContact O-OG 3.3Å; M529-L536 HydrophobicContact CB-CD2 4.35Å; M529-L536 HydrophobicContact CE-CD2 3.79Å; M529-I538 WeakPolarHBondContact O-CD1 3.43Å; M529-L557 HydrophobicContact CE-CD1 3.31Å; M529-L557 HydrophobicContact SD-CD1 3.99Å; M529-W560 HydrophobicContact CB-CH2 4.38Å; M529-W560 HydrophobicContact CB-CZ2 4.42Å; M529-W560 HydrophobicContact CG-CD2 3.98Å; M529-W560 HydrophobicContact CG-CE3 3.57Å; M529-W560 HydrophobicContact CG-CH2 3.42Å; M529-W560 VanDerWaalsContact CG-CH2 3.42Å; M529-W560 HydrophobicContact CG-CZ2 3.79Å; M529-W560 HydrophobicContact CG-CZ3 3.28Å; M529-W560 HydrophobicContact SD-CE3 4.25Å; M529-W560 HydrophobicContact SD-CZ3 4.06Å; M529-L581 HydrophobicContact SD-CD1 4.45Å; M529-F604 HydrophobicContact CB-CE1 4.14Å; M529-F604 HydrophobicContact CB-CZ 4.09Å; M529-F604 HydrophobicContact CE-CE1 3.72Å; M529-F604 HydrophobicContact CE-CZ 3.92Å
530	L	86	Confident	86.2	Confident	53 Å²	53	56.6 Å²	56.6	28%	0.277	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.4	-179.5	-74.9	162.4	0	0	0	113.5	V526 H527 D528 F604 A608	V526-L530 HydrophobicContact CG1-CD1 3.94Å; V526-L530 WeakPolarHBondContact O-CD1 3.38Å; V526-L530 WeakPolarHBondContact O-CG 3.49Å; V526-L530 PolarHBondContact O-N 2.85Å; V526-L530 VanDerWaalsContact O-N 3.13Å; H527-L530 WeakPolarHBondContact O-CB 3.46Å; H527-L530 PolarHBondContact O-N 3.43Å; H527-L530 VanDerWaalsContact O-N 3.09Å; D528-L530 PolarHBondContact O-N 3Å; L530-F604 HydrophobicContact CD1-CD1 3.97Å; L530-F604 HydrophobicContact CD1-CE1 4.08Å; L530-F604 HydrophobicContact CD1-CG 4.43Å; L530-F604 HydrophobicContact CD2-CD1 3.92Å; L530-F604 HydrophobicContact CD2-CD2 3.59Å; L530-F604 HydrophobicContact CD2-CE1 3.84Å; L530-F604 HydrophobicContact CD2-CE2 3.53Å; L530-F604 HydrophobicContact CD2-CG 3.78Å; L530-F604 HydrophobicContact CD2-CZ 3.65Å; L530-F604 HydrophobicContact CG-CD1 3.97Å; L530-F604 HydrophobicContact CG-CD2 4.47Å; L530-F604 HydrophobicContact CG-CE1 3.66Å; L530-F604 HydrophobicContact CG-CE2 4.22Å; L530-F604 HydrophobicContact CG-CG 4.35Å; L530-F604 HydrophobicContact CG-CZ 3.8Å; L530-A608 HydrophobicContact CD1-CB 4.49Å
531	M	80.7	Confident	86.3	Confident	82 Å²	82	55.5 Å²	55.5	40%	0.404	31%	0.313	S	S	.	.	S	Bend	trans	-65.2	141.7	174.6	-67.4	-66.2	-78.2	0	0	111.7	H527 D528 M529 D533 S534	H527-M531 PolarHBondContact O-N 2.91Å; D528-M531 VanDerWaalsContact O-CB 3.3Å; D528-M531 WeakPolarHBondContact O-CB 3.45Å; D528-M531 PolarHBondContact O-N 2.97Å; D528-M531 VanDerWaalsContact O-N 3.08Å; M529-M531 VanDerWaalsContact C-N 3.35Å; M531-D533 PolarHBondContact O-N 3.29Å; M531-S534 VanDerWaalsContact O-CB 3.29Å; M531-S534 WeakPolarHBondContact O-CB 3.35Å; M531-S534 PolarHBondContact O-N 2.88Å; M531-S534 PolarHBondContact O-OG 2.86Å
532	S	68.8	Low	86.1	Confident	131 Å²	131	55.9 Å²	55.9	92%	0.916	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.3	-176	66.4	0	0	0	0	115
533	D	78.5	Confident	85.7	Confident	110 Å²	110	60.1 Å²	60.1	59%	0.588	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	9.7	178.1	47.2	-17.2	0	0	0	113.6	M531 G535	M531-D533 PolarHBondContact O-N 3.29Å; D533-G535 PolarHBondContact O-N 2.83Å; D533-G535 VanDerWaalsContact O-N 3.17Å
534	S	84.7	Confident	85.5	Confident	11 Å²	11	65.8 Å²	65.8	8%	0.077	36%	0.361	C	S	.	.	S	Bend	trans	-60.7	-25.6	-179.8	77.7	0	0	0	0	114.3	D528 M529 M531 L536 W560	D528-S534 WeakPolarHBondContact O-CB 3.49Å; M529-S534 WeakPolarHBondContact O-CB 3.5Å; M529-S534 PolarHBondContact O-OG 3.3Å; M531-S534 VanDerWaalsContact O-CB 3.29Å; M531-S534 WeakPolarHBondContact O-CB 3.35Å; M531-S534 PolarHBondContact O-N 2.88Å; M531-S534 PolarHBondContact O-OG 2.86Å; S534-L536 VanDerWaalsContact C-N 3.31Å; S534-L536 PolarHBondContact O-N 3.03Å; S534-L536 PolarHBondContact OG-N 3.39Å; S534-W560 PolarHBondContact O-NE1 3.11Å
535	G	82.5	Confident	85.3	Confident	70 Å²	70	72.8 Å²	72.8	72%	0.722	38%	0.384	S	S	*	.			trans	81.3	0.5	-177.5	0	0	0	0	0	115.2	D533	D533-G535 PolarHBondContact O-N 2.83Å; D533-G535 VanDerWaalsContact O-N 3.17Å
536	L	90.1	Very high	84.8	Confident	15 Å²	15	78.4 Å²	78.4	8%	0.079	41%	0.412	C	S	.	.			trans	-75.4	131.7	167.8	-173.6	62	0	0	0	109.7	M529 S534 I538 F552 E556 W560 F604	M529-L536 HydrophobicContact CB-CD2 4.35Å; M529-L536 HydrophobicContact CE-CD2 3.79Å; S534-L536 VanDerWaalsContact C-N 3.31Å; S534-L536 PolarHBondContact O-N 3.03Å; S534-L536 PolarHBondContact OG-N 3.39Å; L536-I538 HydrophobicContact CB-CD1 4.47Å; L536-I538 HydrophobicContact CB-CG1 4.29Å; L536-I538 HydrophobicContact CD2-CD1 4.3Å; L536-I538 HydrophobicContact CD2-CG1 4.1Å; L536-I538 HydrophobicContact CG-CG1 4.02Å; L536-I538 PolarHBondContact O-N 2.96Å; L536-F552 HydrophobicContact CD1-CB 4.36Å; L536-F552 HydrophobicContact CD2-CD1 4.41Å; L536-F552 HydrophobicContact CD2-CG 4.25Å; L536-F552 HydrophobicContact CG-CB 4.33Å; L536-E556 HydrophobicContact CD1-CB 4.14Å; L536-W560 HydrophobicContact CB-CG 4.27Å; L536-W560 HydrophobicContact CD1-CB 4.1Å; L536-W560 HydrophobicContact CD1-CG 4.4Å; L536-F604 HydrophobicContact CD2-CZ 4.26Å
537	E	87.5	Confident	84.6	Confident	97 Å²	97	82 Å²	82	45%	0.453	43%	0.434	S	S	.	.			trans	-79	61.4	-172.8	-164	-175.3	130.7	0	0	112.8	R539 R541	E537-R539 PolarHBondContact O-N 3.28Å; E537-R539 IonicContact OE1-CZ 3.55Å; E537-R539 IonicContact OE1-NE 2.66Å; E537-R539 PolarHBondContact OE1-NE 2.82Å; E537-R539 IonicContact OE1-NH2 2.69Å; E537-R539 PolarHBondContact OE1-NH2 2.94Å; E537-R541 PolarHBondContact O-NH2 3.47Å; E537-R541 IonicContact OE1-NH2 3.77Å
538	I	91.1	Very high	84.8	Confident	53 Å²	53	79.1 Å²	79.1	27%	0.272	42%	0.421	S	S	.	.			trans	-73.6	113.4	-179.9	-54.4	162.3	0	0	0	109.5	M529 L536 N550 F604	M529-I538 WeakPolarHBondContact O-CD1 3.43Å; L536-I538 HydrophobicContact CB-CD1 4.47Å; L536-I538 HydrophobicContact CB-CG1 4.29Å; L536-I538 HydrophobicContact CD2-CD1 4.3Å; L536-I538 HydrophobicContact CD2-CG1 4.1Å; L536-I538 HydrophobicContact CG-CG1 4.02Å; L536-I538 PolarHBondContact O-N 2.96Å; I538-N550 HydrophobicContact CG2-CB 4.1Å; I538-F604 HydrophobicContact CD1-CE2 3.58Å; I538-F604 HydrophobicContact CD1-CZ 3.89Å; I538-F604 HydrophobicContact CG1-CE2 3.95Å; I538-F604 HydrophobicContact CG1-CZ 4.5Å; I538-F604 HydrophobicContact CG2-CE2 4.4Å
539	R	89.2	Confident	84.7	Confident	116 Å²	116	80.5 Å²	80.5	44%	0.438	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	169.8	177.3	60.8	171.9	172.1	86.9	0.3	113.3	E537 R541 A551	E537-R539 PolarHBondContact O-N 3.28Å; E537-R539 IonicContact OE1-CZ 3.55Å; E537-R539 IonicContact OE1-NE 2.66Å; E537-R539 PolarHBondContact OE1-NE 2.82Å; E537-R539 IonicContact OE1-NH2 2.69Å; E537-R539 PolarHBondContact OE1-NH2 2.94Å; R539-R541 HydrophobicContact CG-CG 4.32Å; R539-R541 WeakPolarHBondContact O-CG 3.34Å; R539-R541 PolarHBondContact O-N 3.4Å; R539-A551 PolarHBondContact N-O 2.81Å; R539-A551 PolarHBondContact O-N 3.48Å
540	D	89.6	Confident	84.7	Confident	91 Å²	91	85.4 Å²	85.4	49%	0.487	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	126.3	168.9	-69.8	10.3	0	0	0	111.5	T547 I548 P549 N550	D540-T547 HydrophobicContact CB-CG2 3.91Å; D540-I548 WeakPolarHBondContact CA-O 3.33Å; D540-P549 VanDerWaalsContact OD1-CA 3.3Å; D540-P549 WeakPolarHBondContact OD1-CA 3.23Å; D540-N550 PolarHBondContact OD1-N 3.02Å
541	R	89.1	Confident	85	Confident	10 Å²	10	82.9 Å²	82.9	4%	0.038	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.3	176.9	-57.7	-166.8	-174.7	-139.5	2.9	110	E537 R539 I548 A551 I553 E556 Y601	E537-R541 PolarHBondContact O-NH2 3.47Å; E537-R541 IonicContact OE1-NH2 3.77Å; R539-R541 HydrophobicContact CG-CG 4.32Å; R539-R541 WeakPolarHBondContact O-CG 3.34Å; R539-R541 PolarHBondContact O-N 3.4Å; R541-I548 PolarHBondContact N-O 3.42Å; R541-I548 PolarHBondContact O-N 2.84Å; R541-A551 HydrophobicContact CB-CB 4.29Å; R541-A551 HydrophobicContact CG-CB 4.19Å; R541-A551 PolarHBondContact NE-O 3.39Å; R541-I553 VanDerWaalsContact NH1-CG1 3.34Å; R541-E556 IonicContact CZ-OE1 2.69Å; R541-E556 IonicContact CZ-OE2 2.74Å; R541-E556 IonicContact NH1-OE1 2.64Å; R541-E556 PolarHBondContact NH1-OE1 3.31Å; R541-E556 IonicContact NH1-OE2 3.12Å; R541-E556 PolarHBondContact NH1-OE2 3.02Å; R541-E556 VanDerWaalsContact NH2-CD 3.32Å; R541-E556 IonicContact NH2-OE1 2.7Å; R541-E556 PolarHBondContact NH2-OE1 2.93Å; R541-E556 IonicContact NH2-OE2 3.73Å; R541-E556 PolarHBondContact NH2-OE2 3.37Å; R541-Y601 HydrophobicContact CB-CD1 4.41Å; R541-Y601 HydrophobicContact CB-CE1 4.18Å; R541-Y601 VanDerWaalsContact CD-CE1 3.5Å; R541-Y601 HydrophobicContact CG-CE1 4.44Å
542	T	84.2	Confident	85.6	Confident	100 Å²	100	79 Å²	79	61%	0.613	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.5	-179.1	42.7	0	0	0	0	111.3	I546 T547	T542-I546 CarbonylContact C-O 3.4Å; T542-I546 WeakPolarHBondContact CA-O 3.42Å; T542-T547 HydrophobicContact CG2-CG2 4.34Å; T542-T547 WeakPolarHBondContact CG2-OG1 3.28Å
543	W	78.6	Confident	86.8	Confident	116 Å²	116	74.4 Å²	74.4	44%	0.439	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.1	177.1	-173.7	68.6	0	0	0	109.7	K545 I546 I548 V591 Y601	W543-K545 PolarHBondContact O-N 3.38Å; W543-I546 PolarHBondContact N-O 2.92Å; W543-I546 PolarHBondContact O-N 3.29Å; W543-I548 HydrophobicContact CB-CD1 4.16Å; W543-V591 HydrophobicContact CZ3-CG1 4.24Å; W543-Y601 HydrophobicContact CB-CD2 4.33Å; W543-Y601 HydrophobicContact CB-CE2 3.99Å; W543-Y601 AromaticContact CD1-CE2 3.89Å; W543-Y601 HydrophobicContact CG-CD2 4.4Å; W543-Y601 HydrophobicContact CG-CE2 4.05Å
544	L	84.1	Confident	87.6	Confident	133 Å²	133	69.2 Å²	69.2	70%	0.696	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	28.6	-175.9	-59.4	177.8	0	0	0	115.2	I546	L544-I546 VanDerWaalsContact C-N 3.29Å
545	K	80.3	Confident	88.1	Confident	210 Å²	210	70 Å²	70	91%	0.913	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	4.8	-172.4	-49.3	177.9	-179.6	178.2	0	116.1	W543	W543-K545 PolarHBondContact O-N 3.38Å
546	I	82.1	Confident	88.7	Confident	117 Å²	117	68.6 Å²	68.6	60%	0.6	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.4	166.5	-57.2	175.2	0	0	0	107.4	T542 W543 L544	T542-I546 CarbonylContact C-O 3.4Å; T542-I546 WeakPolarHBondContact CA-O 3.42Å; W543-I546 PolarHBondContact N-O 2.92Å; W543-I546 PolarHBondContact O-N 3.29Å; L544-I546 VanDerWaalsContact C-N 3.29Å
547	T	87	Confident	88.9	Confident	75 Å²	75	67.9 Å²	67.9	46%	0.46	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.7	168.4	-54.4	0	0	0	0	108.4	D540 T542	D540-T547 HydrophobicContact CB-CG2 3.91Å; T542-T547 HydrophobicContact CG2-CG2 4.34Å; T542-T547 WeakPolarHBondContact CG2-OG1 3.28Å
548	I	89	Confident	89.3	Confident	21 Å²	21	63.2 Å²	63.2	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.4	169.7	-49.4	175.3	0	0	0	105.8	D540 R541 W543 A551 T590 Y601 T603	D540-I548 WeakPolarHBondContact CA-O 3.33Å; R541-I548 PolarHBondContact N-O 3.42Å; R541-I548 PolarHBondContact O-N 2.84Å; W543-I548 HydrophobicContact CB-CD1 4.16Å; I548-A551 HydrophobicContact CB-CB 4.21Å; I548-A551 HydrophobicContact CG2-CB 3.81Å; I548-T590 HydrophobicContact CD1-CG2 4.01Å; I548-T590 HydrophobicContact CG2-CG2 3.68Å; I548-Y601 HydrophobicContact CD1-CD2 4.13Å; I548-Y601 HydrophobicContact CD1-CG 4.43Å; I548-T603 HydrophobicContact CG2-CG2 3.98Å
549	P	87	Confident	89.5	Confident	79 Å²	79	64 Å²	64	51%	0.513	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	150.7	-178.6	30.2	-34.6	0	0	0	111.3	D540 A551	D540-P549 VanDerWaalsContact OD1-CA 3.3Å; D540-P549 WeakPolarHBondContact OD1-CA 3.23Å; P549-A551 VanDerWaalsContact C-N 3.27Å; P549-A551 PolarHBondContact O-N 3.47Å; P549-A551 VanDerWaalsContact O-N 3.12Å
550	N	87.7	Confident	89.7	Confident	103 Å²	103	58.9 Å²	58.9	55%	0.551	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.7	43.4	172.2	-63.1	-20.2	0	0	0	115	I538 D540	I538-N550 HydrophobicContact CG2-CB 4.1Å; D540-N550 PolarHBondContact OD1-N 3.02Å
551	A	92.9	Very high	90	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.4	-174.7	0	0	0	0	0	113.4	R539 R541 I548 P549 Y602 T603	R539-A551 PolarHBondContact N-O 2.81Å; R539-A551 PolarHBondContact O-N 3.48Å; R541-A551 HydrophobicContact CB-CB 4.29Å; R541-A551 HydrophobicContact CG-CB 4.19Å; R541-A551 PolarHBondContact NE-O 3.39Å; I548-A551 HydrophobicContact CB-CB 4.21Å; I548-A551 HydrophobicContact CG2-CB 3.81Å; P549-A551 VanDerWaalsContact C-N 3.27Å; P549-A551 PolarHBondContact O-N 3.47Å; P549-A551 VanDerWaalsContact O-N 3.12Å; A551-Y602 VanDerWaalsContact CA-O 3.27Å; A551-Y602 WeakPolarHBondContact CA-O 3.46Å; A551-T603 HydrophobicContact CB-CG2 4.39Å
552	F	94.1	Very high	90.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	162.3	173.1	55.8	-90.3	0	0	0	110.4	L536 L557 I587 Y601 Y602 F604	L536-F552 HydrophobicContact CD1-CB 4.36Å; L536-F552 HydrophobicContact CD2-CD1 4.41Å; L536-F552 HydrophobicContact CD2-CG 4.25Å; L536-F552 HydrophobicContact CG-CB 4.33Å; F552-L557 HydrophobicContact CD2-CB 4.1Å; F552-L557 HydrophobicContact CE2-CB 4.08Å; F552-L557 HydrophobicContact CE2-CD2 3.97Å; F552-L557 HydrophobicContact CE2-CG 4.43Å; F552-I587 HydrophobicContact CZ-CB 4.12Å; F552-I587 HydrophobicContact CZ-CG2 3.79Å; F552-Y601 WeakPolarHBondContact O-CA 3.35Å; F552-Y602 VanDerWaalsContact CE2-CB 3.46Å; F552-Y602 HydrophobicContact CE2-CG 4.24Å; F552-Y602 PolarHBondContact N-O 2.83Å; F552-Y602 PolarHBondContact O-N 2.87Å; F552-F604 HydrophobicContact CD1-CD2 4.37Å; F552-F604 AromaticContact CD1-CE2 3.9Å; F552-F604 HydrophobicContact CD1-CE2 3.9Å; F552-F604 HydrophobicContact CD1-CZ 4.45Å; F552-F604 AromaticContact CE1-CD2 3.79Å; F552-F604 HydrophobicContact CE1-CD2 3.79Å; F552-F604 HydrophobicContact CE1-CE1 4.49Å; F552-F604 AromaticContact CE1-CE2 3.57Å; F552-F604 HydrophobicContact CE1-CE2 3.57Å; F552-F604 HydrophobicContact CE1-CG 4.32Å; F552-F604 AromaticContact CE1-CZ 3.97Å; F552-F604 HydrophobicContact CE1-CZ 3.97Å
553	I	93.9	Very high	90.5	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.185	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.5	176.1	-66	171.7	0	0	0	110.2	R541 S555 E556 L557 E598 C600 Y601	R541-I553 VanDerWaalsContact NH1-CG1 3.34Å; I553-S555 VanDerWaalsContact C-N 3.25Å; I553-S555 WeakPolarHBondContact CG2-OG 3.27Å; I553-S555 PolarHBondContact O-N 3.15Å; I553-E556 HydrophobicContact CB-CG 4.06Å; I553-E556 PolarHBondContact N-OE2 3.46Å; I553-E556 WeakPolarHBondContact O-CB 3.27Å; I553-E556 PolarHBondContact O-N 3.17Å; I553-L557 PolarHBondContact O-N 2.97Å; I553-L557 VanDerWaalsContact O-N 3.09Å; I553-E598 WeakPolarHBondContact CG2-O 3.48Å; I553-C600 WeakPolarHBondContact CA-O 3.48Å; I553-Y601 HydrophobicContact CD1-CD1 4.43Å; I553-Y601 HydrophobicContact CD1-CE1 3.78Å; I553-Y601 HydrophobicContact CG1-CD1 3.6Å; I553-Y601 HydrophobicContact CG1-CE1 3.45Å; I553-Y601 VanDerWaalsContact CG1-CE1 3.45Å
554	G	94.9	Very high	90.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-31.3	178.8	0	0	0	0	0	114.9	V558 F596 C600	G554-V558 WeakPolarHBondContact O-CG2 3.17Å; G554-V558 PolarHBondContact O-N 3.3Å; G554-V558 VanDerWaalsContact O-N 3.11Å; G554-F596 WeakPolarHBondContact O-CZ 3.39Å; G554-C600 PolarHBondContact N-O 2.88Å
555	S	95.4	Very high	91.2	Very high	29 Å²	29	50.9 Å²	50.9	20%	0.203	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-44.8	172	60.8	0	0	0	0	112	I553 L557 V558 D559 E598	I553-S555 VanDerWaalsContact C-N 3.25Å; I553-S555 WeakPolarHBondContact CG2-OG 3.27Å; I553-S555 PolarHBondContact O-N 3.15Å; S555-L557 VanDerWaalsContact C-N 3.29Å; S555-L557 PolarHBondContact O-N 3.01Å; S555-V558 PolarHBondContact O-N 3.09Å; S555-V558 VanDerWaalsContact O-N 3.12Å; S555-D559 PolarHBondContact O-N 2.73Å; S555-E598 WeakPolarHBondContact CB-O 3.26Å; S555-E598 PolarHBondContact N-O 3.12Å
556	E	94.4	Very high	91.5	Very high	39 Å²	39	45.6 Å²	45.6	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-37.3	179.1	-58.6	160.7	-177.4	0	0	110.8	L536 R541 I553 D559 W560	L536-E556 HydrophobicContact CD1-CB 4.14Å; R541-E556 IonicContact CZ-OE1 2.69Å; R541-E556 IonicContact CZ-OE2 2.74Å; R541-E556 IonicContact NH1-OE1 2.64Å; R541-E556 PolarHBondContact NH1-OE1 3.31Å; R541-E556 IonicContact NH1-OE2 3.12Å; R541-E556 PolarHBondContact NH1-OE2 3.02Å; R541-E556 VanDerWaalsContact NH2-CD 3.32Å; R541-E556 IonicContact NH2-OE1 2.7Å; R541-E556 PolarHBondContact NH2-OE1 2.93Å; R541-E556 IonicContact NH2-OE2 3.73Å; R541-E556 PolarHBondContact NH2-OE2 3.37Å; I553-E556 HydrophobicContact CB-CG 4.06Å; I553-E556 PolarHBondContact N-OE2 3.46Å; I553-E556 WeakPolarHBondContact O-CB 3.27Å; I553-E556 PolarHBondContact O-N 3.17Å; E556-D559 PolarHBondContact O-N 3.13Å; E556-W560 VanDerWaalsContact O-CB 3.27Å; E556-W560 WeakPolarHBondContact O-CB 3.34Å; E556-W560 PolarHBondContact O-N 3.44Å
557	L	95.7	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-46.3	171.4	173.6	62.7	0	0	0	112.2	M529 F552 I553 S555 D559 W560 L561 A578 I587 F596	M529-L557 HydrophobicContact CE-CD1 3.31Å; M529-L557 HydrophobicContact SD-CD1 3.99Å; F552-L557 HydrophobicContact CD2-CB 4.1Å; F552-L557 HydrophobicContact CE2-CB 4.08Å; F552-L557 HydrophobicContact CE2-CD2 3.97Å; F552-L557 HydrophobicContact CE2-CG 4.43Å; I553-L557 PolarHBondContact O-N 2.97Å; I553-L557 VanDerWaalsContact O-N 3.09Å; S555-L557 VanDerWaalsContact C-N 3.29Å; S555-L557 PolarHBondContact O-N 3.01Å; L557-D559 VanDerWaalsContact C-N 3.32Å; L557-W560 PolarHBondContact O-N 3.04Å; L557-L561 HydrophobicContact CD1-CD1 3.87Å; L557-L561 HydrophobicContact CD1-CG 4Å; L557-L561 HydrophobicContact CG-CD1 3.9Å; L557-L561 HydrophobicContact CG-CG 4.45Å; L557-L561 WeakPolarHBondContact O-CB 3.34Å; L557-L561 WeakPolarHBondContact O-CG 3.24Å; L557-L561 PolarHBondContact O-N 2.87Å; L557-A578 HydrophobicContact CD2-CB 3.76Å; L557-A578 HydrophobicContact CG-CB 4.2Å; L557-I587 HydrophobicContact CD2-CD1 3.44Å; L557-I587 VanDerWaalsContact CD2-CD1 3.44Å; L557-F596 HydrophobicContact CD2-CE2 3.93Å; L557-F596 HydrophobicContact CD2-CZ 4.15Å
558	V	95.8	Very high	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-33.4	179.6	171.5	0	0	0	0	111.5	G554 S555 F562 R571 A574 R575 A578 F596 E598	G554-V558 WeakPolarHBondContact O-CG2 3.17Å; G554-V558 PolarHBondContact O-N 3.3Å; G554-V558 VanDerWaalsContact O-N 3.11Å; S555-V558 PolarHBondContact O-N 3.09Å; S555-V558 VanDerWaalsContact O-N 3.12Å; V558-F562 VanDerWaalsContact O-CB 3.28Å; V558-F562 WeakPolarHBondContact O-CB 3.39Å; V558-F562 PolarHBondContact O-N 3.47Å; V558-R571 HydrophobicContact CG1-CG 3.58Å; V558-A574 HydrophobicContact CG1-CB 4.26Å; V558-R575 HydrophobicContact CG1-CB 4.29Å; V558-R575 HydrophobicContact CG2-CB 4.07Å; V558-R575 HydrophobicContact CG2-CG 4.39Å; V558-A578 HydrophobicContact CG2-CB 4.01Å; V558-F596 HydrophobicContact CG2-CE1 3.63Å; V558-F596 HydrophobicContact CG2-CZ 3.94Å; V558-E598 HydrophobicContact CB-CG 4.44Å; V558-E598 HydrophobicContact CG2-CG 4.04Å
559	D	93.8	Very high	91.8	Very high	69 Å²	69	44.3 Å²	44.3	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-52.2	171.1	-61.5	-26.7	0	0	0	110	S555 E556 L557 L561 F562 T563 R571	S555-D559 PolarHBondContact O-N 2.73Å; E556-D559 PolarHBondContact O-N 3.13Å; L557-D559 VanDerWaalsContact C-N 3.32Å; D559-L561 PolarHBondContact O-N 3.29Å; D559-F562 PolarHBondContact O-N 2.91Å; D559-T563 PolarHBondContact O-N 2.98Å; D559-T563 VanDerWaalsContact O-N 3.08Å; D559-T563 PolarHBondContact O-OG1 3.34Å; D559-R571 IonicContact OD1-CZ 3.23Å; D559-R571 IonicContact OD1-NH1 3.1Å; D559-R571 PolarHBondContact OD1-NH1 2.8Å; D559-R571 IonicContact OD1-NH2 2.72Å; D559-R571 PolarHBondContact OD1-NH2 3.12Å
560	W	94.8	Very high	92.1	Very high	8 Å²	8	43.6 Å²	43.6	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-46.6	-179.6	-174.1	95.6	0	0	0	112.9	L516 V525 D528 M529 S534 L536 E556 L557 F562 T563 H564 V565	L516-W560 HydrophobicContact CD1-CH2 4.04Å; V525-W560 HydrophobicContact CG1-CH2 4.34Å; V525-W560 HydrophobicContact CG1-CZ3 3.86Å; D528-W560 HydrophobicContact CB-CH2 4.34Å; D528-W560 VanDerWaalsContact OD2-CZ2 3.3Å; D528-W560 WeakPolarHBondContact OD2-CZ2 3.3Å; M529-W560 HydrophobicContact CB-CH2 4.38Å; M529-W560 HydrophobicContact CB-CZ2 4.42Å; M529-W560 HydrophobicContact CG-CD2 3.98Å; M529-W560 HydrophobicContact CG-CE3 3.57Å; M529-W560 HydrophobicContact CG-CH2 3.42Å; M529-W560 VanDerWaalsContact CG-CH2 3.42Å; M529-W560 HydrophobicContact CG-CZ2 3.79Å; M529-W560 HydrophobicContact CG-CZ3 3.28Å; M529-W560 HydrophobicContact SD-CE3 4.25Å; M529-W560 HydrophobicContact SD-CZ3 4.06Å; S534-W560 PolarHBondContact O-NE1 3.11Å; L536-W560 HydrophobicContact CB-CG 4.27Å; L536-W560 HydrophobicContact CD1-CB 4.1Å; L536-W560 HydrophobicContact CD1-CG 4.4Å; E556-W560 VanDerWaalsContact O-CB 3.27Å; E556-W560 WeakPolarHBondContact O-CB 3.34Å; E556-W560 PolarHBondContact O-N 3.44Å; L557-W560 PolarHBondContact O-N 3.04Å; W560-F562 VanDerWaalsContact C-N 3.29Å; W560-F562 PolarHBondContact O-N 3.34Å; W560-T563 PolarHBondContact O-N 3.11Å; W560-T563 VanDerWaalsContact O-N 3.16Å; W560-T563 PolarHBondContact O-OG1 2.96Å; W560-T563 VanDerWaalsContact O-OG1 3.09Å; W560-H564 AromaticContact CD1-CE1 3.41Å; W560-H564 VanDerWaalsContact CD1-CE1 3.41Å; W560-H564 AromaticContact CD1-ND1 3.24Å; W560-H564 HydrophobicContact CD2-CB 4.33Å; W560-H564 AromaticContact CD2-ND1 3.51Å; W560-H564 AromaticContact CE2-CG 3.81Å; W560-H564 AromaticContact CE2-ND1 3.32Å; W560-H564 VanDerWaalsContact CE2-ND1 3.32Å; W560-H564 HydrophobicContact CE3-CB 4.42Å; W560-H564 AromaticContact CG-ND1 3.45Å; W560-H564 HydrophobicContact CH2-CB 3.97Å; W560-H564 HydrophobicContact CZ2-CB 3.9Å; W560-H564 AromaticContact CZ2-ND1 3.99Å; W560-H564 HydrophobicContact CZ3-CB 4.24Å; W560-H564 AromaticContact NE1-CE1 3.39Å; W560-H564 PolarHBondContact NE1-CE1 3.06Å; W560-H564 AromaticContact NE1-CG 3.94Å; W560-H564 AromaticContact NE1-ND1 3.16Å; W560-H564 PolarHBondContact NE1-ND1 2.94Å; W560-H564 VanDerWaalsContact NE1-ND1 3.16Å; W560-H564 PolarHBondContact O-N 3.5Å; W560-H564 PolarHBondContact O-ND1 2.69Å; W560-V565 HydrophobicContact CZ3-CG2 4.08Å
561	L	94.8	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-39.1	177.1	-76.4	168.8	0	0	0	111.4	V525 L557 D559 T563 V565 F568 A574 Y577 A578 L581	V525-L561 HydrophobicContact CG1-CD2 3.91Å; L557-L561 HydrophobicContact CD1-CD1 3.87Å; L557-L561 HydrophobicContact CD1-CG 4Å; L557-L561 HydrophobicContact CG-CD1 3.9Å; L557-L561 HydrophobicContact CG-CG 4.45Å; L557-L561 WeakPolarHBondContact O-CB 3.34Å; L557-L561 WeakPolarHBondContact O-CG 3.24Å; L557-L561 PolarHBondContact O-N 2.87Å; D559-L561 PolarHBondContact O-N 3.29Å; L561-T563 VanDerWaalsContact C-N 3.29Å; L561-T563 PolarHBondContact O-N 3.02Å; L561-V565 HydrophobicContact CD2-CG2 4.03Å; L561-V565 WeakPolarHBondContact O-CB 3.41Å; L561-V565 PolarHBondContact O-N 3.2Å; L561-F568 HydrophobicContact CB-CE2 4.01Å; L561-F568 WeakPolarHBondContact O-CE2 3.38Å; L561-A574 HydrophobicContact CB-CB 4.1Å; L561-Y577 HydrophobicContact CD1-CD1 4.02Å; L561-Y577 HydrophobicContact CD2-CD1 3.74Å; L561-Y577 HydrophobicContact CD2-CE1 3.93Å; L561-A578 HydrophobicContact CD1-CB 3.87Å; L561-L581 HydrophobicContact CD1-CD1 4.21Å; L561-L581 HydrophobicContact CD2-CD1 4.48Å
562	F	92.7	Very high	92.4	Very high	99 Å²	99	51.5 Å²	51.5	43%	0.434	28%	0.28	S	S	.	.	H	α-helix	trans	-75.4	-14.1	179	-168.4	-101.3	0	0	0	113.6	V558 D559 W560 F568 A574	V558-F562 VanDerWaalsContact O-CB 3.28Å; V558-F562 WeakPolarHBondContact O-CB 3.39Å; V558-F562 PolarHBondContact O-N 3.47Å; D559-F562 PolarHBondContact O-N 2.91Å; W560-F562 VanDerWaalsContact C-N 3.29Å; W560-F562 PolarHBondContact O-N 3.34Å; F562-F568 HydrophobicContact CD2-CB 4.15Å; F562-F568 HydrophobicContact CE2-CB 4.45Å; F562-A574 HydrophobicContact CB-CB 4.07Å; F562-A574 HydrophobicContact CD2-CB 4.37Å
563	T	90.8	Very high	92.3	Very high	99 Å²	99	54.1 Å²	54.1	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-103.1	-24.1	176.2	56.2	0	0	0	0	115	D559 W560 L561	D559-T563 PolarHBondContact O-N 2.98Å; D559-T563 VanDerWaalsContact O-N 3.08Å; D559-T563 PolarHBondContact O-OG1 3.34Å; W560-T563 PolarHBondContact O-N 3.11Å; W560-T563 VanDerWaalsContact O-N 3.16Å; W560-T563 PolarHBondContact O-OG1 2.96Å; W560-T563 VanDerWaalsContact O-OG1 3.09Å; L561-T563 VanDerWaalsContact C-N 3.29Å; L561-T563 PolarHBondContact O-N 3.02Å
564	H	88.1	Confident	92.4	Very high	78 Å²	78	52.4 Å²	52.4	36%	0.361	29%	0.285	S	S	.	.	H	α-helix	trans	-113.3	-14.9	-174.1	-59.1	105.6	0	0	0	114.7	W560	W560-H564 AromaticContact CD1-CE1 3.41Å; W560-H564 VanDerWaalsContact CD1-CE1 3.41Å; W560-H564 AromaticContact CD1-ND1 3.24Å; W560-H564 HydrophobicContact CD2-CB 4.33Å; W560-H564 AromaticContact CD2-ND1 3.51Å; W560-H564 AromaticContact CE2-CG 3.81Å; W560-H564 AromaticContact CE2-ND1 3.32Å; W560-H564 VanDerWaalsContact CE2-ND1 3.32Å; W560-H564 HydrophobicContact CE3-CB 4.42Å; W560-H564 AromaticContact CG-ND1 3.45Å; W560-H564 HydrophobicContact CH2-CB 3.97Å; W560-H564 HydrophobicContact CZ2-CB 3.9Å; W560-H564 AromaticContact CZ2-ND1 3.99Å; W560-H564 HydrophobicContact CZ3-CB 4.24Å; W560-H564 AromaticContact NE1-CE1 3.39Å; W560-H564 PolarHBondContact NE1-CE1 3.06Å; W560-H564 AromaticContact NE1-CG 3.94Å; W560-H564 AromaticContact NE1-ND1 3.16Å; W560-H564 PolarHBondContact NE1-ND1 2.94Å; W560-H564 VanDerWaalsContact NE1-ND1 3.16Å; W560-H564 PolarHBondContact O-N 3.5Å; W560-H564 PolarHBondContact O-ND1 2.69Å
565	V	90.7	Very high	92.5	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	105.5	-178.6	-174.3	0	0	0	0	110.4	L516 T517 V518 V525 W560 L561 F568	L516-V565 HydrophobicContact CB-CG1 4.49Å; L516-V565 HydrophobicContact CB-CG2 4.09Å; L516-V565 HydrophobicContact CD1-CG2 4.3Å; L516-V565 CarbonylContact O-C 3.57Å; L516-V565 WeakPolarHBondContact O-CA 3.41Å; T517-V565 WeakPolarHBondContact O-CG1 3.22Å; V518-V565 HydrophobicContact CG2-CG1 4.17Å; V525-V565 HydrophobicContact CG1-CG2 3.87Å; V525-V565 HydrophobicContact CG2-CG2 4.39Å; W560-V565 HydrophobicContact CZ3-CG2 4.08Å; L561-V565 HydrophobicContact CD2-CG2 4.03Å; L561-V565 WeakPolarHBondContact O-CB 3.41Å; L561-V565 PolarHBondContact O-N 3.2Å; V565-F568 HydrophobicContact CB-CD2 4.43Å; V565-F568 HydrophobicContact CB-CE2 3.81Å; V565-F568 HydrophobicContact CG1-CE2 3.96Å; V565-F568 HydrophobicContact CG1-CZ 4.28Å
566	D	86	Confident	92.4	Very high	99 Å²	99	64.4 Å²	64.4	53%	0.529	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.8	-178.8	-77	-56.9	0	0	0	112.2	S515 L516 T517 V518	S515-D566 PolarHBondContact OG-OD2 3.47Å; L516-D566 PolarHBondContact O-N 3.01Å; T517-D566 CarbonylContact C-O 3.49Å; T517-D566 WeakPolarHBondContact CA-O 3.31Å; T517-D566 HydrophobicContact CG2-CB 4.38Å; V518-D566 PolarHBondContact N-O 3.3Å
567	G	86.7	Confident	92.5	Very high	68 Å²	68	63.3 Å²	63.3	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.8	-4.3	173	0	0	0	0	0	116.1	A569	G567-A569 PolarHBondContact O-N 2.9Å
568	F	90.5	Very high	92.5	Very high	27 Å²	27	63.3 Å²	63.3	12%	0.118	32%	0.32	C	S	.	.			trans	-71.4	123.8	166.6	-63.3	-53.1	0	0	0	110.3	V518 L561 F562 V565 D573 A574 Y577	V518-F568 HydrophobicContact CB-CE1 4.43Å; V518-F568 HydrophobicContact CG1-CE1 4.03Å; V518-F568 HydrophobicContact CG2-CD1 3.58Å; V518-F568 HydrophobicContact CG2-CD2 4.27Å; V518-F568 HydrophobicContact CG2-CE1 3.5Å; V518-F568 VanDerWaalsContact CG2-CE1 3.5Å; V518-F568 HydrophobicContact CG2-CE2 4.23Å; V518-F568 HydrophobicContact CG2-CG 3.96Å; V518-F568 HydrophobicContact CG2-CZ 3.84Å; L561-F568 HydrophobicContact CB-CE2 4.01Å; L561-F568 WeakPolarHBondContact O-CE2 3.38Å; F562-F568 HydrophobicContact CD2-CB 4.15Å; F562-F568 HydrophobicContact CE2-CB 4.45Å; V565-F568 HydrophobicContact CB-CD2 4.43Å; V565-F568 HydrophobicContact CB-CE2 3.81Å; V565-F568 HydrophobicContact CG1-CE2 3.96Å; V565-F568 HydrophobicContact CG1-CZ 4.28Å; F568-D573 HydrophobicContact CB-CB 4.26Å; F568-D573 HydrophobicContact CD1-CB 3.73Å; F568-D573 HydrophobicContact CG-CB 4.38Å; F568-A574 HydrophobicContact CD1-CB 4.46Å; F568-A574 HydrophobicContact CD2-CB 3.73Å; F568-A574 HydrophobicContact CE2-CB 3.97Å; F568-A574 HydrophobicContact CG-CB 4Å; F568-A574 HydrophobicContact CZ-CB 4.47Å; F568-Y577 AromaticContact CE1-CD2 4Å; F568-Y577 HydrophobicContact CE1-CD2 4Å; F568-Y577 HydrophobicContact CE1-CG 4.03Å; F568-Y577 VanDerWaalsContact CZ-CB 3.48Å; F568-Y577 HydrophobicContact CZ-CD1 4.23Å; F568-Y577 AromaticContact CZ-CD2 3.77Å; F568-Y577 HydrophobicContact CZ-CD2 3.77Å; F568-Y577 AromaticContact CZ-CG 3.58Å; F568-Y577 HydrophobicContact CZ-CG 3.58Å
569	A	88.2	Confident	92.4	Very high	91 Å²	91	65.3 Å²	65.3	75%	0.752	33%	0.334	S	S	*	.	S	Bend	trans	-74.9	-32.9	177.4	0	0	0	0	0	111.6	G567 D573	G567-A569 PolarHBondContact O-N 2.9Å; A569-D573 PolarHBondContact N-OD2 3.37Å
570	D	91.7	Very high	92.4	Very high	64 Å²	64	65.6 Å²	65.6	34%	0.342	34%	0.335	S	S	.	.	S	Bend	trans	-141.3	156.3	-175.1	-131.9	12.5	0	0	0	110.6	R572 D573	D570-R572 HydrophobicContact CB-CB 4.3Å; D570-R572 PolarHBondContact O-N 2.86Å; D570-R572 IonicContact OD2-CZ 3.7Å; D570-R572 IonicContact OD2-NE 3.76Å; D570-R572 PolarHBondContact OD2-NE 3.3Å; D570-R572 IonicContact OD2-NH2 2.67Å; D570-R572 PolarHBondContact OD2-NH2 3.26Å; D570-D573 PolarHBondContact N-OD2 2.95Å; D570-D573 WeakPolarHBondContact O-CB 3.44Å; D570-D573 PolarHBondContact O-N 2.94Å
571	R	93.5	Very high	92.4	Very high	90 Å²	90	65.2 Å²	65.2	34%	0.34	33%	0.334	S	S	.	.	H	α-helix	trans	-51.1	-29.9	168.8	-172.3	-165	-176.3	77.4	5.3	112.2	V558 D559 D573 A574 R575 E598	V558-R571 HydrophobicContact CG1-CG 3.58Å; D559-R571 IonicContact OD1-CZ 3.23Å; D559-R571 IonicContact OD1-NH1 3.1Å; D559-R571 PolarHBondContact OD1-NH1 2.8Å; D559-R571 IonicContact OD1-NH2 2.72Å; D559-R571 PolarHBondContact OD1-NH2 3.12Å; R571-D573 PolarHBondContact O-N 3.01Å; R571-A574 PolarHBondContact O-N 3.31Å; R571-R575 WeakPolarHBondContact O-CB 3.5Å; R571-R575 PolarHBondContact O-N 2.87Å; R571-E598 IonicContact CZ-OE2 3.42Å; R571-E598 VanDerWaalsContact CZ-OE2 3.26Å; R571-E598 IonicContact NE-OE2 2.7Å; R571-E598 PolarHBondContact NE-OE2 3.25Å; R571-E598 IonicContact NH2-OE2 3.18Å; R571-E598 PolarHBondContact NH2-OE2 3.41Å
572	R	93.1	Very high	92.3	Very high	180 Å²	180	66.2 Å²	66.2	68%	0.679	34%	0.339	S	S	*	.	H	α-helix	trans	-62.3	-28.4	177.6	-68.8	-176.9	-80.6	-164.6	-4.1	112.7	D570 R576	D570-R572 HydrophobicContact CB-CB 4.3Å; D570-R572 PolarHBondContact O-N 2.86Å; D570-R572 IonicContact OD2-CZ 3.7Å; D570-R572 IonicContact OD2-NE 3.76Å; D570-R572 PolarHBondContact OD2-NE 3.3Å; D570-R572 IonicContact OD2-NH2 2.67Å; D570-R572 PolarHBondContact OD2-NH2 3.26Å; R572-R576 WeakPolarHBondContact O-CG 3.43Å; R572-R576 PolarHBondContact O-N 3.48Å; R572-R576 VanDerWaalsContact O-N 3.11Å
573	D	93.8	Very high	92.2	Very high	55 Å²	55	68.5 Å²	68.5	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-83.7	-42.1	-179.9	-51.6	-40.9	0	0	0	110.9	F568 A569 D570 R571 R575 R576 Y577	F568-D573 HydrophobicContact CB-CB 4.26Å; F568-D573 HydrophobicContact CD1-CB 3.73Å; F568-D573 HydrophobicContact CG-CB 4.38Å; A569-D573 PolarHBondContact N-OD2 3.37Å; D570-D573 PolarHBondContact N-OD2 2.95Å; D570-D573 WeakPolarHBondContact O-CB 3.44Å; D570-D573 PolarHBondContact O-N 2.94Å; R571-D573 PolarHBondContact O-N 3.01Å; D573-R575 PolarHBondContact O-N 2.73Å; D573-R576 CarbonylContact O-C 3.55Å; D573-R576 WeakPolarHBondContact O-CA 3.46Å; D573-R576 WeakPolarHBondContact O-CB 3.4Å; D573-R576 PolarHBondContact O-N 2.87Å; D573-Y577 PolarHBondContact O-N 2.87Å
574	A	95.2	Very high	92.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56	-38.5	168.3	0	0	0	0	0	111.6	V558 L561 F562 F568 R571 Y577 A578	V558-A574 HydrophobicContact CG1-CB 4.26Å; L561-A574 HydrophobicContact CB-CB 4.1Å; F562-A574 HydrophobicContact CB-CB 4.07Å; F562-A574 HydrophobicContact CD2-CB 4.37Å; F568-A574 HydrophobicContact CD1-CB 4.46Å; F568-A574 HydrophobicContact CD2-CB 3.73Å; F568-A574 HydrophobicContact CE2-CB 3.97Å; F568-A574 HydrophobicContact CG-CB 4Å; F568-A574 HydrophobicContact CZ-CB 4.47Å; R571-A574 PolarHBondContact O-N 3.31Å; A574-Y577 PolarHBondContact O-N 3.36Å; A574-A578 WeakPolarHBondContact O-CB 3.49Å; A574-A578 PolarHBondContact O-N 3.04Å
575	R	95.9	Very high	92.2	Very high	102 Å²	102	67.5 Å²	67.5	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-34.4	172.2	-176.6	178.7	173.1	155.2	-6.7	113.7	V558 R571 D573 S579 F596 E598	V558-R575 HydrophobicContact CG1-CB 4.29Å; V558-R575 HydrophobicContact CG2-CB 4.07Å; V558-R575 HydrophobicContact CG2-CG 4.39Å; R571-R575 WeakPolarHBondContact O-CB 3.5Å; R571-R575 PolarHBondContact O-N 2.87Å; D573-R575 PolarHBondContact O-N 2.73Å; R575-S579 PolarHBondContact O-N 2.96Å; R575-S579 PolarHBondContact O-OG 3.08Å; R575-F596 HydrophobicContact CG-CD1 3.99Å; R575-F596 HydrophobicContact CG-CE1 4.17Å; R575-E598 WeakPolarHBondContact CD-OE1 3.37Å; R575-E598 IonicContact CZ-OE1 2.69Å; R575-E598 IonicContact NE-OE1 3.76Å; R575-E598 IonicContact NH1-OE1 3.42Å; R575-E598 PolarHBondContact NH1-OE1 3.35Å
576	R	94.9	Very high	92.3	Very high	178 Å²	178	68.9 Å²	68.9	67%	0.672	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-43.3	171.2	-74.6	172.1	177.7	-130.1	2.3	110.5	R572 D573 A578 S579 N580	R572-R576 WeakPolarHBondContact O-CG 3.43Å; R572-R576 PolarHBondContact O-N 3.48Å; R572-R576 VanDerWaalsContact O-N 3.11Å; D573-R576 CarbonylContact O-C 3.55Å; D573-R576 WeakPolarHBondContact O-CA 3.46Å; D573-R576 WeakPolarHBondContact O-CB 3.4Å; D573-R576 PolarHBondContact O-N 2.87Å; R576-A578 PolarHBondContact O-N 3.3Å; R576-S579 CarbonylContact O-C 3.59Å; R576-S579 WeakPolarHBondContact O-CA 3.49Å; R576-S579 WeakPolarHBondContact O-CB 3.43Å; R576-S579 PolarHBondContact O-N 3.38Å; R576-N580 PolarHBondContact O-N 3.34Å; R576-N580 PolarHBondContact O-OD1 2.94Å
577	Y	95.7	Very high	92.6	Very high	16 Å²	16	64.2 Å²	64.2	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-43.4	175.5	-164.8	-84.1	0	0	0	112.3	M522 V525 L561 F568 D573 A574 S579 N580 L581	M522-Y577 HydrophobicContact CE-CE1 4.32Å; V525-Y577 HydrophobicContact CG1-CE1 4.15Å; V525-Y577 WeakPolarHBondContact CG2-OH 3.27Å; L561-Y577 HydrophobicContact CD1-CD1 4.02Å; L561-Y577 HydrophobicContact CD2-CD1 3.74Å; L561-Y577 HydrophobicContact CD2-CE1 3.93Å; F568-Y577 AromaticContact CE1-CD2 4Å; F568-Y577 HydrophobicContact CE1-CD2 4Å; F568-Y577 HydrophobicContact CE1-CG 4.03Å; F568-Y577 VanDerWaalsContact CZ-CB 3.48Å; F568-Y577 HydrophobicContact CZ-CD1 4.23Å; F568-Y577 AromaticContact CZ-CD2 3.77Å; F568-Y577 HydrophobicContact CZ-CD2 3.77Å; F568-Y577 AromaticContact CZ-CG 3.58Å; F568-Y577 HydrophobicContact CZ-CG 3.58Å; D573-Y577 PolarHBondContact O-N 2.87Å; A574-Y577 PolarHBondContact O-N 3.36Å; Y577-S579 PolarHBondContact O-N 3.04Å; Y577-N580 WeakPolarHBondContact O-CB 3.4Å; Y577-N580 PolarHBondContact O-N 3.49Å; Y577-L581 HydrophobicContact CD1-CD1 3.86Å; Y577-L581 HydrophobicContact CD1-CG 4.09Å; Y577-L581 HydrophobicContact CE1-CD1 3.91Å; Y577-L581 HydrophobicContact CE1-CD2 4.34Å; Y577-L581 HydrophobicContact CE1-CG 4.02Å; Y577-L581 PolarHBondContact O-N 2.76Å
578	A	95.4	Very high	92.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-28.1	170.8	0	0	0	0	0	113.5	L557 V558 L561 A574 R576 L582 F596	L557-A578 HydrophobicContact CD2-CB 3.76Å; L557-A578 HydrophobicContact CG-CB 4.2Å; V558-A578 HydrophobicContact CG2-CB 4.01Å; L561-A578 HydrophobicContact CD1-CB 3.87Å; A574-A578 WeakPolarHBondContact O-CB 3.49Å; A574-A578 PolarHBondContact O-N 3.04Å; R576-A578 PolarHBondContact O-N 3.3Å; A578-L582 PolarHBondContact O-N 2.99Å; A578-F596 HydrophobicContact CB-CD1 4.09Å; A578-F596 HydrophobicContact CB-CD2 4.16Å; A578-F596 HydrophobicContact CB-CE1 3.72Å; A578-F596 HydrophobicContact CB-CE2 3.81Å; A578-F596 HydrophobicContact CB-CG 4.3Å; A578-F596 HydrophobicContact CB-CZ 3.57Å
579	S	94.3	Very high	92.9	Very high	43 Å²	43	63 Å²	63	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-73.5	-36.4	172.3	-50.2	0	0	0	0	112	R575 R576 Y577 L582 H583 F596	R575-S579 PolarHBondContact O-N 2.96Å; R575-S579 PolarHBondContact O-OG 3.08Å; R576-S579 CarbonylContact O-C 3.59Å; R576-S579 WeakPolarHBondContact O-CA 3.49Å; R576-S579 WeakPolarHBondContact O-CB 3.43Å; R576-S579 PolarHBondContact O-N 3.38Å; Y577-S579 PolarHBondContact O-N 3.04Å; S579-L582 PolarHBondContact O-N 2.99Å; S579-H583 PolarHBondContact O-N 3.49Å; S579-F596 WeakPolarHBondContact OG-CB 3.4Å
580	N	93.7	Very high	92.7	Very high	74 Å²	74	60.9 Å²	60.9	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-41.2	174.4	-63.6	0.1	0	0	0	111.5	M522 R576 Y577 L582 H583 Y584	M522-N580 HydrophobicContact CE-CB 3.85Å; R576-N580 PolarHBondContact O-N 3.34Å; R576-N580 PolarHBondContact O-OD1 2.94Å; Y577-N580 WeakPolarHBondContact O-CB 3.4Å; Y577-N580 PolarHBondContact O-N 3.49Å; N580-L582 PolarHBondContact O-N 2.87Å; N580-H583 PolarHBondContact O-N 3.42Å; N580-H583 VanDerWaalsContact O-N 3.08Å; N580-Y584 HydrophobicContact CB-CD2 4.3Å; N580-Y584 HydrophobicContact CB-CE2 4.23Å; N580-Y584 VanDerWaalsContact O-CD2 3.22Å; N580-Y584 WeakPolarHBondContact O-CD2 3.48Å; N580-Y584 PolarHBondContact O-N 3.43Å
581	L	94	Very high	92.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-37.4	173.8	-77.3	169.5	0	0	0	112.1	M522 V526 M529 L561 Y577 G585 Y586 I587	M522-L581 HydrophobicContact CE-CB 4.39Å; M522-L581 HydrophobicContact CE-CD2 3.69Å; M522-L581 HydrophobicContact CE-CG 3.77Å; V526-L581 HydrophobicContact CG2-CD2 3.44Å; V526-L581 VanDerWaalsContact CG2-CD2 3.44Å; M529-L581 HydrophobicContact SD-CD1 4.45Å; L561-L581 HydrophobicContact CD1-CD1 4.21Å; L561-L581 HydrophobicContact CD2-CD1 4.48Å; Y577-L581 HydrophobicContact CD1-CD1 3.86Å; Y577-L581 HydrophobicContact CD1-CG 4.09Å; Y577-L581 HydrophobicContact CE1-CD1 3.91Å; Y577-L581 HydrophobicContact CE1-CD2 4.34Å; Y577-L581 HydrophobicContact CE1-CG 4.02Å; Y577-L581 PolarHBondContact O-N 2.76Å; L581-G585 PolarHBondContact O-N 3.28Å; L581-Y586 HydrophobicContact CD2-CD2 4.07Å; L581-Y586 HydrophobicContact CD2-CG 4.02Å; L581-Y586 PolarHBondContact O-N 3.13Å; L581-I587 HydrophobicContact CB-CD1 4.01Å; L581-I587 HydrophobicContact CB-CG1 4.06Å; L581-I587 HydrophobicContact CB-CG2 4.41Å; L581-I587 PolarHBondContact O-N 3.08Å
582	L	93.3	Very high	91.4	Very high	21 Å²	21	64.1 Å²	64.1	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-72.7	-39.6	174.7	177.9	63.9	0	0	0	112.1	A578 S579 N580 G585 I587 H589 F596 Y602	A578-L582 PolarHBondContact O-N 2.99Å; S579-L582 PolarHBondContact O-N 2.99Å; N580-L582 PolarHBondContact O-N 2.87Å; L582-G585 PolarHBondContact O-N 3.09Å; L582-I587 HydrophobicContact CB-CD1 4.3Å; L582-I587 HydrophobicContact CB-CG1 3.98Å; L582-I587 HydrophobicContact CD1-CG1 4.43Å; L582-I587 WeakPolarHBondContact CD1-O 3.42Å; L582-H589 HydrophobicContact CD1-CB 4.17Å; L582-F596 HydrophobicContact CD2-CB 3.97Å; L582-F596 HydrophobicContact CD2-CD2 4.41Å; L582-Y602 HydrophobicContact CD1-CD1 4.37Å; L582-Y602 HydrophobicContact CD1-CE1 4.03Å; L582-Y602 HydrophobicContact CD2-CE1 4.09Å
583	H	91.4	Very high	90.9	Very high	147 Å²	147	59.3 Å²	59.3	68%	0.681	29%	0.291	S	S	*	.	H	α-helix	trans	-67.2	-38.6	-179.8	-173	58.1	0	0	0	112.8	S579 N580 G585	S579-H583 PolarHBondContact O-N 3.49Å; N580-H583 PolarHBondContact O-N 3.42Å; N580-H583 VanDerWaalsContact O-N 3.08Å; H583-G585 VanDerWaalsContact C-N 3.34Å
584	Y	89.7	Confident	90.3	Very high	134 Å²	134	61.9 Å²	61.9	53%	0.525	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8	178	-63	-58.4	0	0	0	114.2	M522 N580 Y586	M522-Y584 HydrophobicContact CE-CD2 4.05Å; M522-Y584 HydrophobicContact SD-CD2 3.7Å; M522-Y584 HydrophobicContact SD-CE2 3.95Å; N580-Y584 HydrophobicContact CB-CD2 4.3Å; N580-Y584 HydrophobicContact CB-CE2 4.23Å; N580-Y584 VanDerWaalsContact O-CD2 3.22Å; N580-Y584 WeakPolarHBondContact O-CD2 3.48Å; N580-Y584 PolarHBondContact O-N 3.43Å; Y584-Y586 VanDerWaalsContact C-N 3.29Å; Y584-Y586 PolarHBondContact O-N 3.42Å
585	G	88.9	Confident	90.1	Very high	23 Å²	23	65.8 Å²	65.8	24%	0.237	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	13.2	174.2	0	0	0	0	0	116	L581 L582 H583 I587	L581-G585 PolarHBondContact O-N 3.28Å; L582-G585 PolarHBondContact O-N 3.09Å; H583-G585 VanDerWaalsContact C-N 3.34Å; G585-I587 VanDerWaalsContact C-N 3.32Å
586	Y	91.9	Very high	90	Very high	35 Å²	35	61.6 Å²	61.6	14%	0.137	32%	0.322	C	S	.	.	S	Bend	trans	-69.1	-33	170.9	-72.6	-77.2	0	0	0	111.9	M522 A523 V526 L581 Y584 G605 I607 A608 L611	M522-Y586 HydrophobicContact CB-CD2 4.21Å; M522-Y586 HydrophobicContact CB-CE2 3.61Å; M522-Y586 HydrophobicContact CE-CD2 4.46Å; M522-Y586 HydrophobicContact SD-CE2 4.48Å; A523-Y586 HydrophobicContact CB-CE1 4.11Å; V526-Y586 HydrophobicContact CB-CD1 4.27Å; V526-Y586 HydrophobicContact CG1-CD1 4.27Å; V526-Y586 HydrophobicContact CG2-CD1 3.87Å; V526-Y586 HydrophobicContact CG2-CG 4.03Å; L581-Y586 HydrophobicContact CD2-CD2 4.07Å; L581-Y586 HydrophobicContact CD2-CG 4.02Å; L581-Y586 PolarHBondContact O-N 3.13Å; Y584-Y586 VanDerWaalsContact C-N 3.29Å; Y584-Y586 PolarHBondContact O-N 3.42Å; Y586-G605 PolarHBondContact O-N 3.03Å; Y586-I607 HydrophobicContact CD1-CG2 4.48Å; Y586-I607 HydrophobicContact CE1-CG2 4.26Å; Y586-A608 VanDerWaalsContact O-CB 3.24Å; Y586-A608 WeakPolarHBondContact O-CB 3.28Å; Y586-L611 HydrophobicContact CD1-CD1 4.32Å; Y586-L611 HydrophobicContact CE1-CD1 3.75Å
587	I	93.5	Very high	90	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.6	172.3	71.5	179.6	0	0	0	110	F552 L557 L581 L582 G585 F596 Y602 T603	F552-I587 HydrophobicContact CZ-CB 4.12Å; F552-I587 HydrophobicContact CZ-CG2 3.79Å; L557-I587 HydrophobicContact CD2-CD1 3.44Å; L557-I587 VanDerWaalsContact CD2-CD1 3.44Å; L581-I587 HydrophobicContact CB-CD1 4.01Å; L581-I587 HydrophobicContact CB-CG1 4.06Å; L581-I587 HydrophobicContact CB-CG2 4.41Å; L581-I587 PolarHBondContact O-N 3.08Å; L582-I587 HydrophobicContact CB-CD1 4.3Å; L582-I587 HydrophobicContact CB-CG1 3.98Å; L582-I587 HydrophobicContact CD1-CG1 4.43Å; L582-I587 WeakPolarHBondContact CD1-O 3.42Å; G585-I587 VanDerWaalsContact C-N 3.32Å; I587-F596 HydrophobicContact CD1-CD2 4.38Å; I587-F596 HydrophobicContact CD1-CE2 4.16Å; I587-Y602 HydrophobicContact CD1-CD1 4.12Å; I587-Y602 HydrophobicContact CD1-CG 4.47Å; I587-Y602 HydrophobicContact CG1-CD1 4.28Å; I587-T603 CarbonylContact C-O 3.59Å; I587-T603 WeakPolarHBondContact CA-O 3.3Å
588	C	91.6	Very high	90	Very high	50 Å²	50	55 Å²	55	34%	0.338	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	-177.8	-68.9	0	0	0	0	110.8	Y602 T603 G605	C588-Y602 VanDerWaalsContact O-CA 3.3Å; C588-Y602 WeakPolarHBondContact O-CA 3.49Å; C588-T603 PolarHBondContact N-O 3.18Å; C588-T603 PolarHBondContact O-N 3.42Å; C588-T603 VanDerWaalsContact O-N 3.08Å; C588-G605 VanDerWaalsContact SG-CA 3.57Å
589	H	90.5	Very high	89.8	Confident	18 Å²	18	62.9 Å²	62.9	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.9	173.4	-174.6	-97	0	0	0	110.5	L582 V591 N592 K593 C600 Y602	L582-H589 HydrophobicContact CD1-CB 4.17Å; H589-V591 WeakPolarHBondContact CE1-CG2 3.49Å; H589-V591 PolarHBondContact ND1-N 2.88Å; H589-V591 PolarHBondContact O-N 3.36Å; H589-N592 PolarHBondContact O-N 3.46Å; H589-K593 HydrophobicContact CB-CB 4.29Å; H589-K593 WeakPolarHBondContact CE1-CB 3.43Å; H589-K593 WeakPolarHBondContact ND1-CB 3.29Å; H589-K593 PolarHBondContact ND1-N 2.9Å; H589-C600 VanDerWaalsContact NE2-CB 3.27Å; H589-C600 WeakPolarHBondContact NE2-CB 3.39Å; H589-C600 PolarHBondContact NE2-SG 3.34Å; H589-Y602 HydrophobicContact CB-CD1 4.23Å; H589-Y602 HydrophobicContact CB-CE1 3.88Å; H589-Y602 AromaticContact CD2-CE1 3.66Å; H589-Y602 AromaticContact CD2-CZ 3.67Å
590	T	84.2	Confident	89.7	Confident	47 Å²	47	62.2 Å²	62.2	29%	0.288	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.2	-170.6	59.2	0	0	0	0	115.5	I548 Y601 T603	I548-T590 HydrophobicContact CD1-CG2 4.01Å; I548-T590 HydrophobicContact CG2-CG2 3.68Å; T590-Y601 WeakPolarHBondContact CG2-O 3.5Å; T590-Y601 PolarHBondContact N-O 3Å; T590-Y601 PolarHBondContact OG1-O 2.82Å; T590-T603 HydrophobicContact CG2-CG2 4.36Å
591	V	81.6	Confident	89.7	Confident	91 Å²	91	61.6 Å²	61.6	55%	0.552	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	43.5	166.1	-63	0	0	0	0	112	W543 H589 K593	W543-V591 HydrophobicContact CZ3-CG1 4.24Å; H589-V591 WeakPolarHBondContact CE1-CG2 3.49Å; H589-V591 PolarHBondContact ND1-N 2.88Å; H589-V591 PolarHBondContact O-N 3.36Å; V591-K593 PolarHBondContact O-N 3.47Å; V591-K593 VanDerWaalsContact O-N 3.17Å
592	N	77.3	Confident	89.8	Confident	132 Å²	132	61.6 Å²	61.6	71%	0.706	33%	0.327	S	S	*	.			trans	47.9	45.5	169.8	-149.2	19.4	0	0	0	116.4	H589	H589-N592 PolarHBondContact O-N 3.46Å
593	K	82.3	Confident	89.7	Confident	79 Å²	79	62.3 Å²	62.3	34%	0.343	33%	0.332	S	S	.	.			trans	-94.5	116.6	-178.2	-174.8	-177.1	178.9	-63.7	0	109.7	H589 V591 T595	H589-K593 HydrophobicContact CB-CB 4.29Å; H589-K593 WeakPolarHBondContact CE1-CB 3.43Å; H589-K593 WeakPolarHBondContact ND1-CB 3.29Å; H589-K593 PolarHBondContact ND1-N 2.9Å; V591-K593 PolarHBondContact O-N 3.47Å; V591-K593 VanDerWaalsContact O-N 3.17Å; K593-T595 PolarHBondContact NZ-O 2.87Å; K593-T595 PolarHBondContact NZ-OG1 2.66Å; K593-T595 PolarHBondContact O-N 3.22Å; K593-T595 VanDerWaalsContact O-N 3.1Å
594	S	81.6	Confident	89.8	Confident	109 Å²	109	56.3 Å²	56.3	76%	0.762	30%	0.304	S	S	*	.	S	Bend	trans	-60.8	-17.3	-179	56.6	0	0	0	0	115.6
595	T	90.1	Very high	89.6	Confident	82 Å²	82	50 Å²	50	50%	0.503	28%	0.279	S	S	.	.	S	Bend	trans	-113.6	126.7	-174.8	42.8	0	0	0	0	112.2	K593	K593-T595 PolarHBondContact NZ-O 2.87Å; K593-T595 PolarHBondContact NZ-OG1 2.66Å; K593-T595 PolarHBondContact O-N 3.22Å; K593-T595 VanDerWaalsContact O-N 3.1Å
596	F	94.6	Very high	89	Confident	14 Å²	14	55.4 Å²	55.4	6%	0.061	30%	0.303	C	S	.	.			trans	-65.6	146.2	-177.5	-174.9	-96.6	0	0	0	113.7	G554 L557 V558 R575 A578 S579 L582 I587 E598 Y602	G554-F596 WeakPolarHBondContact O-CZ 3.39Å; L557-F596 HydrophobicContact CD2-CE2 3.93Å; L557-F596 HydrophobicContact CD2-CZ 4.15Å; V558-F596 HydrophobicContact CG2-CE1 3.63Å; V558-F596 HydrophobicContact CG2-CZ 3.94Å; R575-F596 HydrophobicContact CG-CD1 3.99Å; R575-F596 HydrophobicContact CG-CE1 4.17Å; A578-F596 HydrophobicContact CB-CD1 4.09Å; A578-F596 HydrophobicContact CB-CD2 4.16Å; A578-F596 HydrophobicContact CB-CE1 3.72Å; A578-F596 HydrophobicContact CB-CE2 3.81Å; A578-F596 HydrophobicContact CB-CG 4.3Å; A578-F596 HydrophobicContact CB-CZ 3.57Å; S579-F596 WeakPolarHBondContact OG-CB 3.4Å; L582-F596 HydrophobicContact CD2-CB 3.97Å; L582-F596 HydrophobicContact CD2-CD2 4.41Å; I587-F596 HydrophobicContact CD1-CD2 4.38Å; I587-F596 HydrophobicContact CD1-CE2 4.16Å; F596-E598 HydrophobicContact CE1-CG 4.1Å; F596-Y602 WeakPolarHBondContact CA-OH 3.23Å; F596-Y602 AromaticContact CD2-CE1 3.89Å; F596-Y602 HydrophobicContact CD2-CE1 3.89Å; F596-Y602 HydrophobicContact CD2-CE2 4.03Å; F596-Y602 AromaticContact CD2-CZ 3.49Å; F596-Y602 VanDerWaalsContact CD2-CZ 3.49Å; F596-Y602 WeakPolarHBondContact CD2-OH 3.47Å; F596-Y602 HydrophobicContact CE2-CD2 4.2Å; F596-Y602 HydrophobicContact CE2-CE1 4.12Å; F596-Y602 AromaticContact CE2-CE2 3.6Å; F596-Y602 HydrophobicContact CE2-CE2 3.6Å; F596-Y602 AromaticContact CE2-CZ 3.57Å; F596-Y602 HydrophobicContact CZ-CE2 4.32Å
597	S	94.1	Very high	88	Confident	25 Å²	25	58 Å²	58	18%	0.175	32%	0.318	C	S	.	.			trans	-149.3	121.4	-174.5	175.6	0	0	0	0	110.7	Q599 C600 Y602	S597-Q599 PolarHBondContact O-N 2.72Å; S597-Q599 PolarHBondContact OG-N 2.82Å; S597-C600 WeakPolarHBondContact CB-SG 3.35Å; S597-C600 PolarHBondContact O-N 3.09Å; S597-C600 PolarHBondContact OG-SG 3.47Å; S597-Y602 PolarHBondContact N-OH 2.8Å; S597-Y602 WeakPolarHBondContact O-CE2 3.33Å; S597-Y602 PolarHBondContact O-OH 2.69Å
598	E	95.2	Very high	86.6	Confident	31 Å²	31	58 Å²	58	15%	0.145	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.3	175	-69.9	171.9	-92.5	0	0	113.7	I553 S555 V558 R571 R575 F596	I553-E598 WeakPolarHBondContact CG2-O 3.48Å; S555-E598 WeakPolarHBondContact CB-O 3.26Å; S555-E598 PolarHBondContact N-O 3.12Å; V558-E598 HydrophobicContact CB-CG 4.44Å; V558-E598 HydrophobicContact CG2-CG 4.04Å; R571-E598 IonicContact CZ-OE2 3.42Å; R571-E598 VanDerWaalsContact CZ-OE2 3.26Å; R571-E598 IonicContact NE-OE2 2.7Å; R571-E598 PolarHBondContact NE-OE2 3.25Å; R571-E598 IonicContact NH2-OE2 3.18Å; R571-E598 PolarHBondContact NH2-OE2 3.41Å; R575-E598 WeakPolarHBondContact CD-OE1 3.37Å; R575-E598 IonicContact CZ-OE1 2.69Å; R575-E598 IonicContact NE-OE1 3.76Å; R575-E598 IonicContact NH1-OE1 3.42Å; R575-E598 PolarHBondContact NH1-OE1 3.35Å; F596-E598 HydrophobicContact CE1-CG 4.1Å
599	Q	92.4	Very high	85.2	Confident	164 Å²	164	58 Å²	58	77%	0.766	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	18.1	-177.4	-60.7	-64.1	-84.4	0	0	113.3	S597	S597-Q599 PolarHBondContact O-N 2.72Å; S597-Q599 PolarHBondContact OG-N 2.82Å
600	C	92.3	Very high	83.7	Confident	29 Å²	29	61.2 Å²	61.2	20%	0.196	34%	0.338	C	S	.	.	S	Bend	trans	-126	157.9	-174.1	-64.9	0	0	0	0	112.2	I553 G554 H589 S597 Y602	I553-C600 WeakPolarHBondContact CA-O 3.48Å; G554-C600 PolarHBondContact N-O 2.88Å; H589-C600 VanDerWaalsContact NE2-CB 3.27Å; H589-C600 WeakPolarHBondContact NE2-CB 3.39Å; H589-C600 PolarHBondContact NE2-SG 3.34Å; S597-C600 WeakPolarHBondContact CB-SG 3.35Å; S597-C600 PolarHBondContact O-N 3.09Å; S597-C600 PolarHBondContact OG-SG 3.47Å; C600-Y602 HydrophobicContact CB-CE2 3.93Å; C600-Y602 WeakPolarHBondContact O-CD2 3.4Å
601	Y	93.5	Very high	82.6	Confident	62 Å²	62	61.2 Å²	61.2	24%	0.243	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.3	173.3	-61.4	-62.8	0	0	0	110.7	R541 W543 I548 F552 I553 T590	R541-Y601 HydrophobicContact CB-CD1 4.41Å; R541-Y601 HydrophobicContact CB-CE1 4.18Å; R541-Y601 VanDerWaalsContact CD-CE1 3.5Å; R541-Y601 HydrophobicContact CG-CE1 4.44Å; W543-Y601 HydrophobicContact CB-CD2 4.33Å; W543-Y601 HydrophobicContact CB-CE2 3.99Å; W543-Y601 AromaticContact CD1-CE2 3.89Å; W543-Y601 HydrophobicContact CG-CD2 4.4Å; W543-Y601 HydrophobicContact CG-CE2 4.05Å; I548-Y601 HydrophobicContact CD1-CD2 4.13Å; I548-Y601 HydrophobicContact CD1-CG 4.43Å; F552-Y601 WeakPolarHBondContact O-CA 3.35Å; I553-Y601 HydrophobicContact CD1-CD1 4.43Å; I553-Y601 HydrophobicContact CD1-CE1 3.78Å; I553-Y601 HydrophobicContact CG1-CD1 3.6Å; I553-Y601 HydrophobicContact CG1-CE1 3.45Å; I553-Y601 VanDerWaalsContact CG1-CE1 3.45Å; T590-Y601 WeakPolarHBondContact CG2-O 3.5Å; T590-Y601 PolarHBondContact N-O 3Å; T590-Y601 PolarHBondContact OG1-O 2.82Å
602	Y	95.1	Very high	81.3	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.3	176.7	-64.8	-90.8	0	0	0	109.6	A551 F552 L582 I587 C588 H589 F596 S597 C600	A551-Y602 VanDerWaalsContact CA-O 3.27Å; A551-Y602 WeakPolarHBondContact CA-O 3.46Å; F552-Y602 VanDerWaalsContact CE2-CB 3.46Å; F552-Y602 HydrophobicContact CE2-CG 4.24Å; F552-Y602 PolarHBondContact N-O 2.83Å; F552-Y602 PolarHBondContact O-N 2.87Å; L582-Y602 HydrophobicContact CD1-CD1 4.37Å; L582-Y602 HydrophobicContact CD1-CE1 4.03Å; L582-Y602 HydrophobicContact CD2-CE1 4.09Å; I587-Y602 HydrophobicContact CD1-CD1 4.12Å; I587-Y602 HydrophobicContact CD1-CG 4.47Å; I587-Y602 HydrophobicContact CG1-CD1 4.28Å; C588-Y602 VanDerWaalsContact O-CA 3.3Å; C588-Y602 WeakPolarHBondContact O-CA 3.49Å; H589-Y602 HydrophobicContact CB-CD1 4.23Å; H589-Y602 HydrophobicContact CB-CE1 3.88Å; H589-Y602 AromaticContact CD2-CE1 3.66Å; H589-Y602 AromaticContact CD2-CZ 3.67Å; F596-Y602 WeakPolarHBondContact CA-OH 3.23Å; F596-Y602 AromaticContact CD2-CE1 3.89Å; F596-Y602 HydrophobicContact CD2-CE1 3.89Å; F596-Y602 HydrophobicContact CD2-CE2 4.03Å; F596-Y602 AromaticContact CD2-CZ 3.49Å; F596-Y602 VanDerWaalsContact CD2-CZ 3.49Å; F596-Y602 WeakPolarHBondContact CD2-OH 3.47Å; F596-Y602 HydrophobicContact CE2-CD2 4.2Å; F596-Y602 HydrophobicContact CE2-CE1 4.12Å; F596-Y602 AromaticContact CE2-CE2 3.6Å; F596-Y602 HydrophobicContact CE2-CE2 3.6Å; F596-Y602 AromaticContact CE2-CZ 3.57Å; F596-Y602 HydrophobicContact CZ-CE2 4.32Å; S597-Y602 PolarHBondContact N-OH 2.8Å; S597-Y602 WeakPolarHBondContact O-CE2 3.33Å; S597-Y602 PolarHBondContact O-OH 2.69Å; C600-Y602 HydrophobicContact CB-CE2 3.93Å; C600-Y602 WeakPolarHBondContact O-CD2 3.4Å
603	T	92.9	Very high	80	Confident	36 Å²	36	59.4 Å²	59.4	22%	0.221	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	166.6	163	60.1	0	0	0	0	108.6	I548 A551 I587 C588 T590	I548-T603 HydrophobicContact CG2-CG2 3.98Å; A551-T603 HydrophobicContact CB-CG2 4.39Å; I587-T603 CarbonylContact C-O 3.59Å; I587-T603 WeakPolarHBondContact CA-O 3.3Å; C588-T603 PolarHBondContact N-O 3.18Å; C588-T603 PolarHBondContact O-N 3.42Å; C588-T603 VanDerWaalsContact O-N 3.08Å; T590-T603 HydrophobicContact CG2-CG2 4.36Å
604	F	91.9	Very high	78.3	Confident	21 Å²	21	61.3 Å²	61.3	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.7	162.7	-67	-88	0	0	0	109.9	V526 M529 L530 L536 I538 F552 A608	V526-F604 HydrophobicContact CG1-CD1 4.1Å; V526-F604 HydrophobicContact CG1-CE1 4.19Å; M529-F604 HydrophobicContact CB-CE1 4.14Å; M529-F604 HydrophobicContact CB-CZ 4.09Å; M529-F604 HydrophobicContact CE-CE1 3.72Å; M529-F604 HydrophobicContact CE-CZ 3.92Å; L530-F604 HydrophobicContact CD1-CD1 3.97Å; L530-F604 HydrophobicContact CD1-CE1 4.08Å; L530-F604 HydrophobicContact CD1-CG 4.43Å; L530-F604 HydrophobicContact CD2-CD1 3.92Å; L530-F604 HydrophobicContact CD2-CD2 3.59Å; L530-F604 HydrophobicContact CD2-CE1 3.84Å; L530-F604 HydrophobicContact CD2-CE2 3.53Å; L530-F604 HydrophobicContact CD2-CG 3.78Å; L530-F604 HydrophobicContact CD2-CZ 3.65Å; L530-F604 HydrophobicContact CG-CD1 3.97Å; L530-F604 HydrophobicContact CG-CD2 4.47Å; L530-F604 HydrophobicContact CG-CE1 3.66Å; L530-F604 HydrophobicContact CG-CE2 4.22Å; L530-F604 HydrophobicContact CG-CG 4.35Å; L530-F604 HydrophobicContact CG-CZ 3.8Å; L536-F604 HydrophobicContact CD2-CZ 4.26Å; I538-F604 HydrophobicContact CD1-CE2 3.58Å; I538-F604 HydrophobicContact CD1-CZ 3.89Å; I538-F604 HydrophobicContact CG1-CE2 3.95Å; I538-F604 HydrophobicContact CG1-CZ 4.5Å; I538-F604 HydrophobicContact CG2-CE2 4.4Å; F552-F604 HydrophobicContact CD1-CD2 4.37Å; F552-F604 AromaticContact CD1-CE2 3.9Å; F552-F604 HydrophobicContact CD1-CE2 3.9Å; F552-F604 HydrophobicContact CD1-CZ 4.45Å; F552-F604 AromaticContact CE1-CD2 3.79Å; F552-F604 HydrophobicContact CE1-CD2 3.79Å; F552-F604 HydrophobicContact CE1-CE1 4.49Å; F552-F604 AromaticContact CE1-CE2 3.57Å; F552-F604 HydrophobicContact CE1-CE2 3.57Å; F552-F604 HydrophobicContact CE1-CG 4.32Å; F552-F604 AromaticContact CE1-CZ 3.97Å; F552-F604 HydrophobicContact CE1-CZ 3.97Å; F604-A608 HydrophobicContact CB-CB 3.99Å; F604-A608 HydrophobicContact CD1-CB 3.97Å; F604-A608 HydrophobicContact CG-CB 4.46Å
605	G	85.3	Confident	76.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.01	33%	0.327	C	S	.	.			trans	-84.7	172.4	173.6	0	0	0	0	0	112.4	Y586 C588 I607 A608 T609	Y586-G605 PolarHBondContact O-N 3.03Å; C588-G605 VanDerWaalsContact SG-CA 3.57Å; G605-I607 PolarHBondContact O-N 2.69Å; G605-A608 PolarHBondContact O-N 2.88Å; G605-T609 WeakPolarHBondContact O-CB 3.38Å; G605-T609 PolarHBondContact O-N 2.96Å; G605-T609 PolarHBondContact O-OG1 2.74Å
606	D	77.6	Confident	74	Confident	137 Å²	137	64 Å²	64	73%	0.733	34%	0.337	S	S	*	.	H	α-helix	trans	-64.8	-29.8	-179.4	-56.6	-50.7	0	0	0	112	T609 T610	D606-T609 PolarHBondContact O-N 3.04Å; D606-T610 VanDerWaalsContact O-CB 3.31Å; D606-T610 WeakPolarHBondContact O-CB 3.27Å; D606-T610 PolarHBondContact O-N 2.69Å; D606-T610 PolarHBondContact O-OG1 3.29Å
607	I	69.9	Low	71.3	Confident	89 Å²	89	69.7 Å²	69.7	46%	0.456	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-51	173.7	-57.9	171.3	0	0	0	110.4	Y586 G605 T609 T610 L611	Y586-I607 HydrophobicContact CD1-CG2 4.48Å; Y586-I607 HydrophobicContact CE1-CG2 4.26Å; G605-I607 PolarHBondContact O-N 2.69Å; I607-T609 VanDerWaalsContact C-N 3.34Å; I607-T609 PolarHBondContact O-N 3.45Å; I607-T610 PolarHBondContact O-N 2.7Å; I607-L611 HydrophobicContact CG2-CD1 4.16Å; I607-L611 WeakPolarHBondContact O-CG 3.18Å; I607-L611 PolarHBondContact O-N 3.08Å
608	A	64	Low	68.9	Low	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-40.2	176.9	0	0	0	0	0	112.5	V526 L530 Y586 F604 G605 L611 S612	V526-A608 HydrophobicContact CG1-CB 3.46Å; V526-A608 VanDerWaalsContact CG1-CB 3.46Å; L530-A608 HydrophobicContact CD1-CB 4.49Å; Y586-A608 VanDerWaalsContact O-CB 3.24Å; Y586-A608 WeakPolarHBondContact O-CB 3.28Å; F604-A608 HydrophobicContact CB-CB 3.99Å; F604-A608 HydrophobicContact CD1-CB 3.97Å; F604-A608 HydrophobicContact CG-CB 4.46Å; G605-A608 PolarHBondContact O-N 2.88Å; A608-L611 PolarHBondContact O-N 3.16Å; A608-S612 PolarHBondContact O-N 3.47Å
609	T	62.6	Low	66.5	Low	51 Å²	51	82 Å²	82	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-43.7	175.7	-51.6	0	0	0	0	110.9	G605 D606 I607 L611 S612 H613	G605-T609 WeakPolarHBondContact O-CB 3.38Å; G605-T609 PolarHBondContact O-N 2.96Å; G605-T609 PolarHBondContact O-OG1 2.74Å; D606-T609 PolarHBondContact O-N 3.04Å; I607-T609 VanDerWaalsContact C-N 3.34Å; I607-T609 PolarHBondContact O-N 3.45Å; T609-L611 VanDerWaalsContact C-N 3.34Å; T609-L611 PolarHBondContact O-N 3.17Å; T609-S612 PolarHBondContact O-N 3.17Å; T609-S612 VanDerWaalsContact O-N 3.13Å; T609-S612 PolarHBondContact O-OG 3.41Å; T609-H613 PolarHBondContact O-CD2 2.8Å; T609-H613 PolarHBondContact O-N 3.39Å; T609-H613 VanDerWaalsContact O-N 3.09Å
610	T	60	Low	63.6	Low	85 Å²	85	81.6 Å²	81.6	52%	0.521	43%	0.434	S	S	.	.	H	α-helix	trans	-59.5	-43	173.4	-56.1	0	0	0	0	111.6	D606 I607 S612 H613 L614	D606-T610 VanDerWaalsContact O-CB 3.31Å; D606-T610 WeakPolarHBondContact O-CB 3.27Å; D606-T610 PolarHBondContact O-N 2.69Å; D606-T610 PolarHBondContact O-OG1 3.29Å; I607-T610 PolarHBondContact O-N 2.7Å; T610-S612 VanDerWaalsContact C-N 3.3Å; T610-S612 PolarHBondContact O-N 3.18Å; T610-H613 PolarHBondContact O-N 3.45Å; T610-L614 PolarHBondContact O-N 3.16Å; T610-L614 VanDerWaalsContact O-N 3.15Å
611	L	60.9	Low	61	Low	47 Å²	47	85.1 Å²	85.1	25%	0.246	46%	0.459	C	S	.	.	H	α-helix	trans	-62.4	-32.3	175.2	-72.5	161.8	0	0	0	113.1	A523 Y586 I607 A608 T609	A523-L611 HydrophobicContact CB-CD1 3.63Å; A523-L611 HydrophobicContact CB-CD2 4.14Å; Y586-L611 HydrophobicContact CD1-CD1 4.32Å; Y586-L611 HydrophobicContact CE1-CD1 3.75Å; I607-L611 HydrophobicContact CG2-CD1 4.16Å; I607-L611 WeakPolarHBondContact O-CG 3.18Å; I607-L611 PolarHBondContact O-N 3.08Å; A608-L611 PolarHBondContact O-N 3.16Å; T609-L611 VanDerWaalsContact C-N 3.34Å; T609-L611 PolarHBondContact O-N 3.17Å
612	S	53.9	Low	58.3	Low	44 Å²	44	88.7 Å²	88.7	31%	0.308	49%	0.487	S	S	.	.	H	α-helix	trans	-77.3	-17.1	171.5	69	0	0	0	0	114.6	A608 T609 T610	A608-S612 PolarHBondContact O-N 3.47Å; T609-S612 PolarHBondContact O-N 3.17Å; T609-S612 VanDerWaalsContact O-N 3.13Å; T609-S612 PolarHBondContact O-OG 3.41Å; T610-S612 VanDerWaalsContact C-N 3.3Å; T610-S612 PolarHBondContact O-N 3.18Å
613	H	49.9	Very low	55.4	Low	142 Å²	142	94.2 Å²	94.2	66%	0.657	53%	0.526	S	S	*	.	H	α-helix	trans	-86.5	-14	172	-70.9	-42.7	0	0	0	113.3	T609 T610 N615	T609-H613 PolarHBondContact O-CD2 2.8Å; T609-H613 PolarHBondContact O-N 3.39Å; T609-H613 VanDerWaalsContact O-N 3.09Å; T610-H613 PolarHBondContact O-N 3.45Å; H613-N615 PolarHBondContact O-N 3.02Å
614	L	47.3	Very low	52.8	Low	118 Å²	118	100.6 Å²	100.6	62%	0.618	55%	0.553	S	S	*	*	S	Bend	trans	-77.8	72.1	165.6	-66.3	175.9	0	0	0	110	T610 L616	T610-L614 PolarHBondContact O-N 3.16Å; T610-L614 VanDerWaalsContact O-N 3.15Å; L614-L616 PolarHBondContact O-N 2.76Å
615	N	38.8	Very low	50.2	Low	114 Å²	114	107 Å²	107	61%	0.61	59%	0.587	S	S	*	*			trans	-71.4	85.4	-169.2	-162.4	106	0	0	0	112.9	H613 D617	H613-N615 PolarHBondContact O-N 3.02Å; N615-D617 WeakPolarHBondContact ND2-CB 3.41Å; N615-D617 PolarHBondContact ND2-OD2 3.09Å; N615-D617 PolarHBondContact O-N 2.96Å; N615-D617 VanDerWaalsContact O-N 3.08Å
616	L	42.4	Very low	47.8	Very low	133 Å²	133	110.6 Å²	110.6	70%	0.696	62%	0.624	S	S	*	*			trans	-79.6	24.6	-173.6	-124.4	171.9	0	0	0	115.4	L614 E618 V619	L614-L616 PolarHBondContact O-N 2.76Å; L616-E618 PolarHBondContact O-N 3.47Å; L616-V619 HydrophobicContact CD2-CG2 4.41Å
617	D	38.4	Very low	45.7	Very low	135 Å²	135	108.2 Å²	108.2	72%	0.722	62%	0.623	S	S	*	*			trans	-71.9	46.7	179.6	-67.6	-47.6	0	0	0	114.5	N615	N615-D617 WeakPolarHBondContact ND2-CB 3.41Å; N615-D617 PolarHBondContact ND2-OD2 3.09Å; N615-D617 PolarHBondContact O-N 2.96Å; N615-D617 VanDerWaalsContact O-N 3.08Å
618	E	42.5	Very low	44	Very low	185 Å²	185	111.1 Å²	111.1	86%	0.864	64%	0.64	S	S	*	*			trans	-148.5	38.7	176.3	-145.8	170.6	-162.5	0	0	116.2	L616	L616-E618 PolarHBondContact O-N 3.47Å
619	V	45.2	Very low	42.5	Very low	128 Å²	128	115.8 Å²	115.8	78%	0.776	67%	0.672	S	S	*	*			trans	-135.4	36.5	170.1	-66.6	0	0	0	0	114.8	L616	L616-V619 HydrophobicContact CD2-CG2 4.41Å
620	D	32.3	Very low	41.2	Very low	156 Å²	156	118.7 Å²	118.7	83%	0.834	70%	0.695	S	S	*	*			trans	-99.6	126.5	169.4	-162.6	-2.4	0	0	0	110.7
621	S	36.7	Very low	39.9	Very low	104 Å²	104	118.5 Å²	118.5	73%	0.727	70%	0.697	S	S	*	*			trans	65.1	135.4	-164.5	-50.2	0	0	0	0	114.5
622	V	37.3	Very low	38.7	Very low	136 Å²	136	124 Å²	124	82%	0.824	72%	0.721	S	S	*	*			cis	-139.2	132.5	31.4	-173.9	0	0	0	0	111.8
623	S	34.3	Very low	37.7	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	74%	0.744	S	S	*	*			trans	-103.9	116	162.4	-65.4	0	0	0	0	109.9
624	E	37	Very low	36.9	Very low	169 Å²	169	124.6 Å²	124.6	79%	0.79	75%	0.747	S	S	*	*			trans	-178.2	150.2	141.6	-111.2	-170.9	146.1	0	0	114.9
625	I	37	Very low	36.4	Very low	156 Å²	156	125.7 Å²	125.7	80%	0.8	76%	0.759	S	S	*	*			trans	64.4	126.1	154.9	-59.7	156.6	0	0	0	118.5
626	G	34.9	Very low	36.3	Very low	76 Å²	76	129 Å²	129	78%	0.784	77%	0.77	S	S	*	*			trans	151.1	54.1	159.3	0	0	0	0	0	117.7
627	A	33.4	Very low	36.1	Very low	88 Å²	88	127.8 Å²	127.8	73%	0.727	77%	0.77	S	S	*	*			trans	-74.8	166.9	171.4	0	0	0	0	0	112.8
628	N	35.7	Very low	36.2	Very low	150 Å²	150	129.8 Å²	129.8	80%	0.802	78%	0.777	S	S	*	*			trans	85.2	99.6	178.5	-46.9	-23	0	0	0	113.8
629	S	32	Very low	36	Very low	97 Å²	97	129.4 Å²	129.4	68%	0.678	78%	0.778	S	S	*	*			cis	84	126	49.1	83.1	0	0	0	0	115
630	S	35.1	Very low	35.6	Very low	112 Å²	112	128.6 Å²	128.6	78%	0.783	78%	0.775	S	S	*	*			trans	66.2	153.4	165.3	82.8	0	0	0	0	117
631	S	32	Very low	35.6	Very low	82 Å²	82	129.4 Å²	129.4	57%	0.573	77%	0.774	S	S	*	*			cis	-173.1	176.4	-23	46.7	0	0	0	0	109
632	H	36.6	Very low	35.4	Very low	161 Å²	161	132.2 Å²	132.2	75%	0.745	78%	0.777	S	S	*	*			trans	71.9	117	170.6	-55.5	-61.1	0	0	0	116.4
633	T	32.6	Very low	35.4	Very low	131 Å²	131	135.8 Å²	135.8	80%	0.804	78%	0.777	S	S	*	*				68	105.8	58.2	70.4	0	0	0	0	114.5
634	G	32.5	Very low	36	Very low	68 Å²	68	135.3 Å²	135.3	70%	0.701	77%	0.772	S	S	*	*			trans	175.8	108.7	170.1	0	0	0	0	0	116.9
635	T	36.9	Very low	36	Very low	142 Å²	142	135.2 Å²	135.2	87%	0.871	77%	0.771	S	S	*	*			trans	51.6	121.9	143.9	52.6	0	0	0	0	122.6
636	H	36.5	Very low	36.2	Very low	183 Å²	183	132.9 Å²	132.9	85%	0.847	76%	0.764	S	S	*	*			trans	-69.7	-176.3	153.5	-32.5	-105.5	0	0	0	112
637	P	39	Very low	36.3	Very low	108 Å²	108	136.1 Å²	136.1	70%	0.701	76%	0.758	S	S	*	*			cis	-123.1	-169	-29.2	33.3	-14.8	0	0	0	111.1
638	M	41	Very low	36.5	Very low	177 Å²	177	139.4 Å²	139.4	87%	0.872	76%	0.758	S	S	*	*			trans	165.1	141.3	133.9	-86.4	-52.3	166	0	0	111.9
639	M	36.9	Very low	36.5	Very low	177 Å²	177	138.8 Å²	138.8	87%	0.872	76%	0.759	S	S	*	*			trans	-91.9	159.5	164	-112.6	-174.9	174.9	0	0	109.2
640	P	38.1	Very low	36.6	Very low	111 Å²	111	141 Å²	141	72%	0.721	76%	0.763	S	S	*	*				-153.9	-176.7	56.5	42.8	-21.5	0	0	0	118.2
641	Q	31.7	Very low	36.9	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	76%	0.757	S	S	*	*			trans	19.1	137.4	144.9	-70.4	-87.9	-23	0	0	119.5
642	M	32.5	Very low	37	Very low	163 Å²	163	143.6 Å²	143.6	80%	0.803	77%	0.767	S	S	*	*				179.3	159.1	65.5	-167.4	169.5	177	0	0	112.5
643	Y	37.6	Very low	37.2	Very low	210 Å²	210	140.1 Å²	140.1	82%	0.824	77%	0.766	S	S	*	*			trans	-105	150.7	174.8	-91.1	-92.7	0	0	0	114.1
644	P	46	Very low	37.5	Very low	108 Å²	108	139.7 Å²	139.7	70%	0.701	77%	0.765	S	S	*	*			trans	-93.9	128.2	147.8	12.6	6.6	0	0	0	110.6
645	H	37.8	Very low	37.7	Very low	166 Å²	166	140.5 Å²	140.5	77%	0.769	77%	0.774	S	S	*	*				69	131.5	79.9	-79.8	43.9	0	0	0	113.9
646	V	41	Very low	37.6	Very low	107 Å²	107	139.4 Å²	139.4	65%	0.648	77%	0.772	S	S	*	*			cis	-146.1	179.7	13.2	-115.3	0	0	0	0	109.7
647	H	38.2	Very low	37.4	Very low	145 Å²	145	134.1 Å²	134.1	67%	0.671	77%	0.767	S	S	*	*			cis	-146.8	169.9	21.1	-101.8	-64.3	0	0	0	112.8
648	H	36	Very low	37	Very low	157 Å²	157	134.7 Å²	134.7	73%	0.727	77%	0.774	S	S	*	*			trans	4.5	143.4	149.2	-55.2	-39.2	0	0	0	122
649	V	36.7	Very low	36.8	Very low	136 Å²	136	130.3 Å²	130.3	82%	0.824	77%	0.766	S	S	*	*			cis	-134	148.2	13.5	-176.9	0	0	0	0	112.4
650	L	34.5	Very low	36.6	Very low	145 Å²	145	128.9 Å²	128.9	76%	0.759	77%	0.767	S	S	*	*			trans	-27.4	168.1	158.4	-104.2	64.2	0	0	0	118.5
651	P	41.6	Very low	36.5	Very low	100 Å²	100	127.1 Å²	127.1	65%	0.649	77%	0.769	S	S	*	*			cis	-132.9	166.4	-5.1	23.1	1.2	0	0	0	116.2
652	D	34.1	Very low	36.8	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	77%	0.771	S	S	*	*			trans	41.5	144.3	133.7	-51.8	-18.8	0	0	0	122.8
653	A	39.6	Very low	37	Very low	87 Å²	87	124.5 Å²	124.5	72%	0.719	77%	0.773	S	S	*	*			cis	-158.5	-143.9	-16.4	0	0	0	0	0	109.6
654	P	39.2	Very low	37	Very low	122 Å²	122	119.7 Å²	119.7	79%	0.792	77%	0.769	S	S	*	*			trans	-95.7	168.8	-146.1	9.1	16	0	0	0	114.3
655	G	35.9	Very low	36.6	Very low	85 Å²	85	119.9 Å²	119.9	88%	0.876	77%	0.768	S	S	*	*			trans	-62.7	139.8	174.8	0	0	0	0	0	113.2
656	S	36.3	Very low	36.5	Very low	119 Å²	119	119.5 Å²	119.5	83%	0.832	77%	0.767	S	S	*	*			trans	-120.4	118.3	-177.9	50.1	0	0	0	0	111.9
657	G	31.8	Very low	36.2	Very low	72 Å²	72	120.7 Å²	120.7	74%	0.742	77%	0.77	S	S	*	*			trans	-82.2	145.1	156.1	0	0	0	0	0	109.9
658	S	31.1	Very low	36.2	Very low	121 Å²	121	120.6 Å²	120.6	85%	0.846	77%	0.77	S	S	*	*			trans	52.3	100	162.4	177	0	0	0	0	118.2
659	A	35.2	Very low	36.3	Very low	85 Å²	85	119.7 Å²	119.7	70%	0.702	77%	0.77	S	S	*	*				179.5	141.7	107.1	0	0	0	0	0	113.9
660	T	34.6	Very low	36.2	Very low	146 Å²	146	117.6 Å²	117.6	90%	0.896	77%	0.767	S	S	*	*			trans	21.1	132.8	145.9	60.8	0	0	0	0	121.5
661	G	35.8	Very low	36.8	Very low	75 Å²	75	116.4 Å²	116.4	77%	0.773	77%	0.768	S	S	*	*			trans	165.3	62	158.8	0	0	0	0	0	120.5
662	L	37.1	Very low	37	Very low	161 Å²	161	116.3 Å²	116.3	84%	0.843	77%	0.768	S	S	*	*			trans	7.3	134.5	152.9	-59.1	168.4	0	0	0	121.4
663	S	37.6	Very low	37.2	Very low	120 Å²	120	116.4 Å²	116.4	84%	0.839	77%	0.768	S	S	*	*			trans	68.5	151	140.1	66.4	0	0	0	0	120.4
664	S	36.7	Very low	37.3	Very low	108 Å²	108	117.5 Å²	117.5	76%	0.755	77%	0.768	S	S	*	*			cis	-170.8	-175.6	-19.1	-177.3	0	0	0	0	109.2
665	V	37.6	Very low	37.1	Very low	112 Å²	112	118.5 Å²	118.5	68%	0.679	77%	0.766	S	S	*	*			trans	81.1	87.6	161.2	-169.2	0	0	0	0	117.7
666	Q	36.3	Very low	37	Very low	159 Å²	159	122.4 Å²	122.4	74%	0.743	77%	0.766	S	S	*	*				56.1	110.2	112	-167.7	172.6	4.7	0	0	117.3
667	N	33.7	Very low	36.9	Very low	132 Å²	132	119.7 Å²	119.7	71%	0.706	76%	0.758	S	S	*	*				179.8	166.4	81.4	-112.9	-23.2	0	0	0	109.1
668	Q	39	Very low	37.4	Very low	143 Å²	143	124.1 Å²	124.1	67%	0.668	76%	0.763	S	S	*	*			cis	-147.1	172.7	1	-107.6	-163.1	12	0	0	109.5
669	N	37.1	Very low	37.8	Very low	138 Å²	138	126 Å²	126	74%	0.738	76%	0.76	S	S	*	*			trans	32	120	147.4	-59.6	-6.3	0	0	0	121.4
670	A	36.5	Very low	38	Very low	92 Å²	92	126.2 Å²	126.2	76%	0.76	76%	0.757	S	S	*	*			cis	-167.9	114.3	-40.6	0	0	0	0	0	110.5
671	P	46	Very low	38.4	Very low	120 Å²	120	124.5 Å²	124.5	78%	0.779	75%	0.751	S	S	*	*			trans	-98.9	-166.5	157.1	42.5	-34.9	0	0	0	109.6
672	P	46.5	Very low	39	Very low	98 Å²	98	126.1 Å²	126.1	64%	0.636	75%	0.748	S	S	*	*			cis	-127.8	-160.8	-7	35	-13.1	0	0	0	112.3
673	N	36.9	Very low	39.2	Very low	149 Å²	149	126 Å²	126	80%	0.797	75%	0.747	S	S	*	*				177.2	118.6	117.4	-89.7	-11.3	0	0	0	115.3
674	P	41.6	Very low	39.5	Very low	111 Å²	111	126.4 Å²	126.4	72%	0.721	75%	0.746	S	S	*	*			trans	-111.9	171.4	132.9	36.5	-31.7	0	0	0	111.9
675	N	35.7	Very low	39.7	Very low	142 Å²	142	124.4 Å²	124.4	76%	0.759	74%	0.742	S	S	*	*			trans	83.8	130.7	159	-97.4	-8.3	0	0	0	123.3
676	L	34.8	Very low	39.8	Very low	167 Å²	167	128.9 Å²	128.9	87%	0.874	76%	0.756	S	S	*	*			trans	82.5	141.8	134.7	-71.8	170.4	0	0	0	124.4
677	G	34.3	Very low	39.9	Very low	63 Å²	63	125 Å²	125	65%	0.649	76%	0.758	S	S	*	*			trans	146.6	120.2	165.1	0	0	0	0	0	110.5
678	L	40.4	Very low	40.1	Very low	164 Å²	164	126.2 Å²	126.2	86%	0.859	77%	0.765	S	S	*	*			cis	-140.9	-158	-1.8	-64.9	168.6	0	0	0	107.3
679	M	39.8	Very low	40	Very low	160 Å²	160	124 Å²	124	79%	0.788	77%	0.765	S	S	*	*			cis	-161.2	163.6	4.4	-149.1	170.2	-179.1	0	0	112.1
680	S	40.2	Very low	39.9	Very low	91 Å²	91	125 Å²	125	64%	0.636	77%	0.77	S	S	*	*			trans	24.7	100	156.2	-59.3	0	0	0	0	123.1
681	S	43.8	Very low	39.9	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	77%	0.766	S	S	*	*				43.1	157.9	90.4	-54.9	0	0	0	0	121.9
682	P	46.8	Very low	39.3	Very low	110 Å²	110	127.3 Å²	127.3	71%	0.714	77%	0.769	S	S	*	*			cis	-150.9	-168.4	-31.7	42.1	-22.4	0	0	0	116.8
683	I	42.1	Very low	38.7	Very low	159 Å²	159	129.1 Å²	129.1	82%	0.815	78%	0.778	S	S	*	*			trans	104.1	138.9	148	-78.2	166.5	0	0	0	120.3
684	P	44.5	Very low	38.5	Very low	127 Å²	127	130.2 Å²	130.2	83%	0.825	78%	0.784	S	S	*	*			trans	-135.2	-169.6	-164.9	43.2	-22.1	0	0	0	116.7
685	G	40.1	Very low	38.3	Very low	66 Å²	66	129.7 Å²	129.7	68%	0.68	78%	0.782	S	S	*	*			trans	171.2	111.7	164.1	0	0	0	0	0	110.8
686	E	40.1	Very low	38.4	Very low	207 Å²	207	130.3 Å²	130.3	97%	0.967	78%	0.78	S	S	*	*				73.4	130.3	85	-74.3	-161.7	168.9	0	0	115.5
687	G	38.8	Very low	38.2	Very low	76 Å²	76	132.1 Å²	132.1	78%	0.784	78%	0.777	S	S	*	*			trans	164.7	34.6	178.7	0	0	0	0	0	122.7
688	N	37.4	Very low	38.6	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	78%	0.783	S	S	*	*			trans	36.3	128.8	153	-75.1	-6.6	0	0	0	124.4
689	S	35.8	Very low	38.2	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	78%	0.784	S	S	*	*				94	123	125.6	-71	0	0	0	0	124.2
690	L	35.7	Very low	38.6	Very low	160 Å²	160	135.3 Å²	135.3	84%	0.838	78%	0.781	S	S	*	*			trans	70.2	119.3	143.6	-85.6	89	0	0	0	122.6
691	A	36.6	Very low	38.7	Very low	82 Å²	82	136.9 Å²	136.9	68%	0.678	79%	0.788	S	S	*	*				90	116.9	126.4	0	0	0	0	0	121.7
692	Q	33.2	Very low	38.5	Very low	178 Å²	178	138 Å²	138	83%	0.832	79%	0.79	S	S	*	*			trans	78.3	146.1	143.8	-66.8	178	-2.3	0	0	120.7
693	T	34.2	Very low	38	Very low	136 Å²	136	140.5 Å²	140.5	83%	0.834	80%	0.797	S	S	*	*			trans	48.3	94.1	170	54.2	0	0	0	0	116.7
694	N	33.6	Very low	37.7	Very low	172 Å²	172	143 Å²	143	92%	0.92	80%	0.798	S	S	*	*			trans	-90.2	129.6	175.1	-159.6	5.5	0	0	0	111.1
695	S	36.6	Very low	37.8	Very low	99 Å²	99	143.1 Å²	143.1	69%	0.692	80%	0.798	S	S	*	*			trans	-148.9	146	-177.2	60.8	0	0	0	0	112.4
696	H	38.3	Very low	37.7	Very low	155 Å²	155	147.2 Å²	147.2	72%	0.718	80%	0.803	S	S	*	*			trans	64.6	94.2	149.3	-163.6	95.8	0	0	0	120.2
697	Y	29.6	Very low	37.9	Very low	206 Å²	206	143.1 Å²	143.1	81%	0.808	79%	0.794	S	S	*	*			trans	58.3	-171.2	149.5	-73.2	-89.6	0	0	0	117
698	P	42.4	Very low	37.7	Very low	118 Å²	118	145 Å²	145	77%	0.766	80%	0.795	S	S	*	*			cis	-123.2	-174.4	-20.9	16.4	8.9	0	0	0	114.7
699	Y	33.4	Very low	38	Very low	226 Å²	226	142.1 Å²	142.1	89%	0.886	79%	0.793	S	S	*	*			trans	-71.9	157.1	174.1	-96.4	-91.3	0	0	0	116
700	P	47.4	Very low	38.2	Very low	110 Å²	110	142.1 Å²	142.1	71%	0.714	80%	0.8	S	S	*	*			trans	-110.9	145.1	151.7	36.8	-28.2	0	0	0	113.8
701	P	42.1	Very low	38.6	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	80%	0.799	S	S	*	*			trans	-107.6	169.8	174.1	39.9	-34.2	0	0	0	113.7
702	V	40.4	Very low	38.8	Very low	132 Å²	132	143.9 Å²	143.9	80%	0.8	81%	0.81	S	S	*	*			trans	-172.5	124.2	147.2	132.8	0	0	0	0	115.5
703	L	36.8	Very low	39	Very low	163 Å²	163	141 Å²	141	85%	0.853	81%	0.81	S	S	*	*			trans	55.1	149.1	147.9	-56.5	174.5	0	0	0	125.7
704	Y	35.2	Very low	39.3	Very low	213 Å²	213	139.6 Å²	139.6	84%	0.835	81%	0.806	S	S	*	*			trans	-112.8	170.8	179.1	-78.7	-94.2	0	0	0	113
705	P	45.5	Very low	39.7	Very low	128 Å²	128	137.1 Å²	137.1	83%	0.831	80%	0.802	S	S	*	*			trans	-118	158.4	143.4	6.7	15.5	0	0	0	114.1
706	I	38.4	Very low	39.8	Very low	152 Å²	152	136 Å²	136	78%	0.779	81%	0.805	S	S	*	*			trans	-139	143.1	-177.9	-57.3	169.5	0	0	0	110.6
707	P	44.2	Very low	40.2	Very low	121 Å²	121	134.4 Å²	134.4	79%	0.786	81%	0.809	S	S	*	*			trans	-141.4	159.3	134.6	37.2	-24.5	0	0	0	113
708	S	35.5	Very low	40.4	Very low	115 Å²	115	130 Å²	130	80%	0.804	81%	0.807	S	S	*	*			cis	146.8	92.9	-17	171.4	0	0	0	0	109.1
709	A	44.1	Very low	40.1	Very low	98 Å²	98	130.6 Å²	130.6	81%	0.81	80%	0.804	S	S	*	*			trans	-167.7	112.9	162.7	0	0	0	0	0	108.6
710	A	39.4	Very low	40.2	Very low	98 Å²	98	126.2 Å²	126.2	81%	0.81	79%	0.794	S	S	*	*				91.6	108.8	72.5	0	0	0	0	0	113.5
711	P	43.9	Very low	39.7	Very low	127 Å²	127	128.5 Å²	128.5	83%	0.825	80%	0.801	S	S	*	*			trans	-109.9	167.1	-175.3	40.8	-34.4	0	0	0	115.3
712	V	41.7	Very low	39.5	Very low	151 Å²	151	126.2 Å²	126.2	92%	0.915	79%	0.792	S	S	*	*			trans	-144.4	162.9	166.8	-72.6	0	0	0	0	112
713	S	37.3	Very low	39.3	Very low	117 Å²	117	128.2 Å²	128.2	82%	0.818	80%	0.798	S	S	*	*			trans	-147	144.5	-158.5	58.2	0	0	0	0	116.5
714	S	40.2	Very low	39.2	Very low	107 Å²	107	123.6 Å²	123.6	75%	0.748	79%	0.791	S	S	*	*			trans	-172.7	115.9	163.6	45.6	0	0	0	0	109.6
715	S	41.5	Very low	39.3	Very low	121 Å²	121	121.6 Å²	121.6	85%	0.846	79%	0.794	S	S	*	*				62.1	131.9	84.4	71.7	0	0	0	0	115.1
716	G	39.4	Very low	38.8	Very low	74 Å²	74	122.8 Å²	122.8	76%	0.763	79%	0.794	S	S	*	*			cis	-162.4	-164.9	11.7	0	0	0	0	0	114.7
717	P	46.4	Very low	38.4	Very low	123 Å²	123	121 Å²	121	80%	0.799	79%	0.793	S	S	*	*			trans	-125.1	-170.3	-152.4	44.6	-33.6	0	0	0	117.5
718	C	33	Very low	37.8	Very low	113 Å²	113	120.2 Å²	120.2	76%	0.764	79%	0.791	S	S	*	*			trans	81.3	151.5	164.5	94.5	0	0	0	0	117.5
719	N	35.4	Very low	37.6	Very low	130 Å²	130	124.1 Å²	124.1	70%	0.695	79%	0.793	S	S	*	*			cis	-155.5	153.8	3.4	-132.6	2	0	0	0	113.2
720	I	36.2	Very low	37.2	Very low	134 Å²	134	125 Å²	125	69%	0.687	79%	0.789	S	S	*	*			trans	29.7	123.1	143.6	-62.2	165.4	0	0	0	119.5
721	D	37.2	Very low	37	Very low	158 Å²	158	126.2 Å²	126.2	85%	0.845	78%	0.782	S	S	*	*				-165.8	168.5	101.6	-132.5	-35.2	0	0	0	113.6
722	A	38.4	Very low	37.1	Very low	75 Å²	75	124.9 Å²	124.9	62%	0.62	77%	0.773	S	S	*	*			trans	-132.8	124.3	-172.5	0	0	0	0	0	114.8
723	N	35.9	Very low	36.8	Very low	174 Å²	174	124.7 Å²	124.7	93%	0.93	77%	0.767	S	S	*	*			trans	-178.6	151.2	135.1	-94.6	-45.8	0	0	0	110
724	G	35.3	Very low	36.9	Very low	67 Å²	67	124.1 Å²	124.1	69%	0.691	76%	0.762	S	S	*	*			trans	-85.3	160.7	-166.5	0	0	0	0	0	116.2
725	N	37.3	Very low	36.8	Very low	170 Å²	170	124.2 Å²	124.2	91%	0.909	76%	0.763	S	S	*	*			trans	-155.8	151.3	144	-96.4	-41.8	0	0	0	108.5
726	D	34.2	Very low	36.6	Very low	154 Å²	154	122.4 Å²	122.4	82%	0.824	76%	0.756	S	S	*	*			trans	-72	177	-177	-78.4	-67.3	0	0	0	114.7
727	C	29.9	Very low	36.5	Very low	113 Å²	113	126.7 Å²	126.7	76%	0.764	76%	0.76	S	S	*	*			trans	97.3	110.1	163.3	-58.2	0	0	0	0	117.9
728	S	32.1	Very low	36.2	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	75%	0.754	S	S	*	*			trans	53	113.6	138.3	63.2	0	0	0	0	119.4
729	F	30	Very low	36.4	Very low	196 Å²	196	124.9 Å²	124.9	86%	0.86	75%	0.749	S	S	*	*			trans	-104.3	128.7	154	-138.6	-87.3	0	0	0	110.6
730	V	35.6	Very low	36.6	Very low	117 Å²	117	125.9 Å²	125.9	71%	0.709	75%	0.754	S	S	*	*			trans	-135.7	154	174.4	174.2	0	0	0	0	106.6
731	N	37.1	Very low	36.6	Very low	124 Å²	124	129.1 Å²	129.1	66%	0.663	76%	0.757	S	S	*	*			trans	71.9	169.4	175	-111.5	-24.4	0	0	0	113.1	N733	N731-N733 PolarHBondContact OD1-N 3.27Å
732	P	44.3	Very low	36.6	Very low	98 Å²	98	127.8 Å²	127.8	64%	0.636	75%	0.75	S	S	*	*			cis	-131.2	152	26	40.2	-23.5	0	0	0	118.7
733	N	35.3	Very low	36.5	Very low	148 Å²	148	133.3 Å²	133.3	79%	0.791	76%	0.755	S	S	*	*				-148.6	106.2	122.6	-86.5	-46.8	0	0	0	107	N731	N731-N733 PolarHBondContact OD1-N 3.27Å
734	S	40.1	Very low	36.6	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	75%	0.746	S	S	*	*				61.9	120.1	69.4	-160.6	0	0	0	0	111.7
735	S	38.1	Very low	36.8	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	74%	0.744	S	S	*	*			cis	-162.2	162.3	11.3	54.5	0	0	0	0	112.8
736	A	36.4	Very low	37	Very low	84 Å²	84	131.3 Å²	131.3	69%	0.694	73%	0.733	S	S	*	*			cis	-178.6	165	-26.6	0	0	0	0	0	110.9
737	L	38.3	Very low	37.2	Very low	163 Å²	163	131.1 Å²	131.1	85%	0.853	73%	0.732	S	S	*	*			trans	72.3	165.9	154.4	-64.9	170.5	0	0	0	118.9
738	P	40.4	Very low	37.5	Very low	102 Å²	102	129.4 Å²	129.4	66%	0.662	73%	0.734	S	S	*	*				-141.8	175.1	-72.6	38.4	-19.3	0	0	0	116
739	S	38	Very low	37.7	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	74%	0.735	S	S	*	*				136.6	130.4	128.9	-64.4	0	0	0	0	117.9
740	L	38.5	Very low	38	Very low	151 Å²	151	131 Å²	131	79%	0.791	73%	0.734	S	S	*	*			trans	63.9	140.6	136.6	-64.5	172.6	0	0	0	120.1
741	R	36.1	Very low	38	Very low	202 Å²	202	129.2 Å²	129.2	76%	0.762	74%	0.739	S	S	*	*			cis	-172.4	140.8	-10.8	-160.9	-168	-167	161.2	2	110.7
742	N	36.6	Very low	38	Very low	130 Å²	130	129.7 Å²	129.7	70%	0.695	75%	0.746	S	S	*	*			trans	57.9	160.7	150.7	-80	1.3	0	0	0	120.9
743	R	36.3	Very low	37.6	Very low	192 Å²	192	131.5 Å²	131.5	73%	0.725	75%	0.75	S	S	*	*			cis	-176.6	172.9	-26	-166.1	178.7	-174.9	-156.6	4.9	107.6
744	M	38.3	Very low	37.5	Very low	148 Å²	148	129.2 Å²	129.2	73%	0.729	75%	0.746	S	S	*	*			trans	73.1	151.3	161	-82.1	134.7	162.2	0	0	115.1
745	S	40.1	Very low	37.1	Very low	94 Å²	94	128.9 Å²	128.9	66%	0.657	75%	0.75	S	S	*	*			cis	152.3	157	-6.5	-92.6	0	0	0	0	104.7
746	N	41.2	Very low	37	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	76%	0.76	S	S	*	*			cis	-159.6	168.6	-0.6	-107.3	8.9	0	0	0	108.8
747	N	38.2	Very low	36.7	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	77%	0.769	S	S	*	*			trans	34.3	119.7	148.4	-52	0.5	0	0	0	119.5
748	G	37.8	Very low	36.8	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	76%	0.762	S	S	*	*				118.2	173.2	91.5	0	0	0	0	0	110.6
749	Q	35.4	Very low	36.4	Very low	164 Å²	164	138 Å²	138	77%	0.766	76%	0.764	S	S	*	*			cis	-163.6	143.4	-4.9	179.3	172.2	-1.5	0	0	109.2
750	M	35.5	Very low	35.9	Very low	172 Å²	172	140.5 Å²	140.5	85%	0.847	77%	0.77	S	S	*	*			trans	31.8	131.3	162.1	-57.7	-177.5	-40.4	0	0	121.7
751	G	36.5	Very low	35.6	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	77%	0.769	S	S	*	*			trans	-173.8	109.5	163.2	0	0	0	0	0	114
752	V	36.3	Very low	35.2	Very low	134 Å²	134	136.4 Å²	136.4	81%	0.812	77%	0.774	S	S	*	*			trans	-69.4	154.1	166.2	-67.6	0	0	0	0	109.5
753	D	36.2	Very low	35.1	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	78%	0.778	S	S	*	*				-176	159.8	77	-127.6	-50	0	0	0	116
754	S	34.1	Very low	34.8	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	78%	0.784	S	S	*	*			trans	18.3	108.1	148.6	-59.8	0	0	0	0	123.3
755	A	31.9	Very low	34.8	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	78%	0.781	S	S	*	*				38.2	120.9	125.6	0	0	0	0	0	123.1
756	M	34.2	Very low	34.3	Very low	198 Å²	198	133 Å²	133	98%	0.975	78%	0.78	S	S	*	*			trans	-162.3	136.3	133.5	-114.1	174.7	176.6	0	0	113.3
757	Y	30.4	Very low	34.1	Very low	226 Å²	226	134.4 Å²	134.4	89%	0.886	78%	0.782	S	S	*	*			trans	-81.9	168.5	159.9	-76	-77.9	0	0	0	109
758	P	40.4	Very low	33.7	Very low	108 Å²	108	133.2 Å²	133.2	70%	0.701	78%	0.78	S	S	*	*			cis	-150.4	-177.9	27.5	46.2	-25.8	0	0	0	118.7
759	V	31.7	Very low	33.4	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.715	78%	0.784	S	S	*	*			trans	43	125.7	136	171.5	0	0	0	0	121.3
760	N	27.5	Very low	33.1	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	78%	0.782	S	S	*	*			trans	45.7	133.2	152.6	-59.2	-6.4	0	0	0	120.8
761	T	32.9	Very low	33.1	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	78%	0.779	S	S	*	*				-179.6	146.8	106.2	-75.9	0	0	0	0	112.1
762	T	28	Very low	33.1	Very low	141 Å²	141	139.4 Å²	139.4	87%	0.865	78%	0.779	S	S	*	*			trans	-75.6	113.7	175.7	-56.8	0	0	0	0	112.6
763	T	33.5	Very low	33.3	Very low	128 Å²	128	137.8 Å²	137.8	79%	0.785	77%	0.771	S	S	*	*			trans	-150.1	130.2	162.5	-12.1	0	0	0	0	113.9
764	M	29.5	Very low	33.2	Very low	170 Å²	170	138.7 Å²	138.7	84%	0.837	78%	0.776	S	S	*	*			trans	-103.9	173.1	160.5	-75.8	-97.9	-80.9	0	0	107.9
765	P	38.8	Very low	33.1	Very low	105 Å²	105	141.5 Å²	141.5	68%	0.682	78%	0.778	S	S	*	*			cis	-129.7	-156.7	-13	32.2	-9.8	0	0	0	111.6
766	S	30.8	Very low	33.3	Very low	89 Å²	89	143.3 Å²	143.3	62%	0.622	78%	0.779	S	S	*	*				124.8	152.7	125.7	76.3	0	0	0	0	119.3
767	H	36.1	Very low	33.3	Very low	157 Å²	157	140.7 Å²	140.7	73%	0.727	76%	0.764	S	S	*	*			trans	60.4	109	165.6	-57.6	-57.5	0	0	0	119.2
768	T	30.8	Very low	33.3	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	76%	0.755	S	S	*	*				84.3	142.5	50.6	65	0	0	0	0	116
769	R	31.4	Very low	32.9	Very low	234 Å²	234	136.6 Å²	136.6	88%	0.883	75%	0.754	S	S	*	*			trans	87.3	100.2	168.5	-152.5	177.4	-171	-161	-0.5	114.4
770	S	29.1	Very low	32.8	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	75%	0.754	S	S	*	*				79.3	146.2	61.5	84.8	0	0	0	0	115.7
771	V	35.3	Very low	33.1	Very low	130 Å²	130	138 Å²	138	79%	0.788	76%	0.758	S	S	*	*			trans	164.9	93.1	-169.3	-171.1	0	0	0	0	112.7
772	I	36.9	Very low	32.9	Very low	157 Å²	157	139.6 Å²	139.6	81%	0.805	76%	0.763	S	S	*	*			trans	-119.6	133.8	167.2	-43.8	172.7	0	0	0	109.5
773	P	39.8	Very low	33.3	Very low	100 Å²	100	137.9 Å²	137.9	65%	0.649	76%	0.763	S	S	*	*			trans	-148.4	165.9	130.6	34.1	-16.3	0	0	0	113.2
774	N	34.2	Very low	33.4	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	77%	0.766	S	S	*	*			cis	-157.8	176.6	-16.5	-115.6	-14.4	0	0	0	111.3
775	Q	32.2	Very low	33.6	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	76%	0.757	S	S	*	*			trans	-70.9	160.3	177.7	-57.9	166.1	-13.8	0	0	114.7
776	T	35.2	Very low	33.4	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	76%	0.757	S	S	*	*			trans	169.2	150.3	133.9	30.2	0	0	0	0	110.6
777	H	33.9	Very low	33.7	Very low	142 Å²	142	139.3 Å²	139.3	66%	0.657	76%	0.763	S	S	*	*			cis	-166.3	163.2	-29.3	-132.5	-116	0	0	0	108.5
778	I	31.4	Very low	33.5	Very low	137 Å²	137	142.1 Å²	142.1	70%	0.703	77%	0.767	S	S	*	*			trans	75.5	102.3	150.1	-74.3	160.9	0	0	0	121.3
779	T	31	Very low	33.7	Very low	111 Å²	111	144 Å²	144	68%	0.681	77%	0.771	S	S	*	*				70.3	105.1	111.7	-48.4	0	0	0	0	122.9
780	T	30.4	Very low	33.8	Very low	116 Å²	116	139.2 Å²	139.2	71%	0.712	76%	0.759	S	S	*	*				47.3	129.7	118.1	-44.9	0	0	0	0	122
781	M	34.2	Very low	34	Very low	178 Å²	178	141 Å²	141	88%	0.877	76%	0.756	S	S	*	*				-159.9	124.7	122.4	-91.6	-51	169.6	0	0	110.8
782	N	29.3	Very low	33.8	Very low	161 Å²	161	141.8 Å²	141.8	86%	0.861	75%	0.751	S	S	*	*			trans	-102.3	141.7	166.9	-98.7	-7.9	0	0	0	109.2
783	A	36	Very low	33.5	Very low	105 Å²	105	142.7 Å²	142.7	87%	0.868	75%	0.749	S	S	*	*			trans	-126	107.5	173.7	0	0	0	0	0	111.3
784	T	34.4	Very low	33.4	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	75%	0.75	S	S	*	*			trans	-69.6	153	170.7	-35.6	0	0	0	0	111.2
785	S	34.6	Very low	33.3	Very low	91 Å²	91	142.2 Å²	142.2	64%	0.636	75%	0.745	S	S	*	*			trans	177.1	126.9	134	-162.7	0	0	0	0	114.1
786	N	35.1	Very low	33.3	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	75%	0.748	S	S	*	*			trans	56.9	153.3	140.8	-65.7	-19.1	0	0	0	121.8
787	Q	36.9	Very low	33.1	Very low	160 Å²	160	140.7 Å²	140.7	75%	0.748	75%	0.745	S	S	*	*			cis	-152.3	139.2	-12.1	-123.3	168.2	49.6	0	0	114.2
788	R	30.5	Very low	33.2	Very low	216 Å²	216	138.7 Å²	138.7	82%	0.815	75%	0.748	S	S	*	*			trans	-21.2	127	153.8	-178.8	-164	-147.8	179	7.5	118.3
789	I	36.6	Very low	33.3	Very low	163 Å²	163	137 Å²	137	84%	0.836	75%	0.747	S	S	*	*			trans	-179.5	156.4	138	-96.3	150.8	0	0	0	108.7
790	Q	33	Very low	33.3	Very low	135 Å²	135	136.6 Å²	136.6	63%	0.631	75%	0.75	S	S	*	*			cis	-168.7	148.4	-48.3	-149.2	-172.4	88	0	0	107.9
791	Q	33.5	Very low	33.4	Very low	139 Å²	139	136.1 Å²	136.1	65%	0.65	75%	0.751	S	S	*	*			trans	81.3	113	158.5	-54.7	-155.1	38.8	0	0	122.7
792	Q	30.9	Very low	33.4	Very low	146 Å²	146	132.2 Å²	132.2	68%	0.682	74%	0.741	S	S	*	*				80.6	131.4	125.7	-68.4	-167	49.1	0	0	123.7
793	K	31	Very low	33.6	Very low	177 Å²	177	129.8 Å²	129.8	77%	0.77	74%	0.737	S	S	*	*			trans	68.2	133.8	148.8	-104	143.3	173.3	-73.9	0	116.7
794	V	37.1	Very low	33.4	Very low	108 Å²	108	136.3 Å²	136.3	66%	0.655	74%	0.739	S	S	*	*			cis	-147.9	153.9	5.9	-132.4	0	0	0	0	110.8
795	N	31.7	Very low	33.5	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	73%	0.734	S	S	*	*			trans	19.1	129.4	141.4	-60.7	19.3	0	0	0	118.2
796	N	32.6	Very low	33.5	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	74%	0.744	S	S	*	*			cis	-160.1	164.6	28.8	-94.2	-21.7	0	0	0	111.6
797	S	31.8	Very low	33.6	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	75%	0.746	S	S	*	*			trans	-126.8	152.3	178.6	-58.7	0	0	0	0	114.1
798	S	34.5	Very low	33.7	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	75%	0.747	S	S	*	*			trans	56.6	100.3	141.9	62.1	0	0	0	0	120.9
799	S	33.4	Very low	34	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	74%	0.739	S	S	*	*				59.3	119.6	117.9	68.2	0	0	0	0	122.7
800	S	31.2	Very low	34	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	74%	0.739	S	S	*	*				71.8	141.5	126.2	68.7	0	0	0	0	123.1
801	S	33.3	Very low	34.2	Very low	105 Å²	105	123 Å²	123	73%	0.734	74%	0.742	S	S	*	*			trans	97.2	105.2	145.6	74.8	0	0	0	0	120.7
802	S	33.2	Very low	34.3	Very low	97 Å²	97	121.3 Å²	121.3	68%	0.678	75%	0.745	S	S	*	*			trans	62.4	104.1	131.6	60	0	0	0	0	122.9
803	S	33.9	Very low	34.6	Very low	110 Å²	110	119.1 Å²	119.1	77%	0.769	75%	0.746	S	S	*	*				82.3	135.8	111.2	-55.2	0	0	0	0	122.1
804	R	32.7	Very low	34.8	Very low	242 Å²	242	115.3 Å²	115.3	91%	0.913	74%	0.742	S	S	*	*			trans	74.6	151.3	168.3	-53.7	174.1	166.1	174.5	-5.6	114.5
805	S	37	Very low	34.7	Very low	110 Å²	110	117.2 Å²	117.2	77%	0.769	75%	0.754	S	S	*	*			cis	-141	150.8	10.3	-42.4	0	0	0	0	114.1
806	S	33.9	Very low	34.9	Very low	119 Å²	119	114.3 Å²	114.3	83%	0.832	76%	0.756	S	S	*	*			trans	-50.9	142.6	163.9	50.1	0	0	0	0	117.9
807	A	36.7	Very low	34.9	Very low	88 Å²	88	118.2 Å²	118.2	73%	0.727	76%	0.761	S	S	*	*			trans	-164.6	111.2	153.5	0	0	0	0	0	107.4
808	S	38.6	Very low	35.1	Very low	111 Å²	111	118.4 Å²	118.4	78%	0.776	76%	0.762	S	S	*	*				62.4	133.1	87.2	70.9	0	0	0	0	113.9
809	S	38	Very low	35.2	Very low	94 Å²	94	116.8 Å²	116.8	66%	0.657	76%	0.762	S	S	*	*			cis	-175.8	157.9	9.2	37.5	0	0	0	0	111.3
810	T	35.9	Very low	35.3	Very low	135 Å²	135	118.9 Å²	118.9	83%	0.828	77%	0.765	S	S	*	*			trans	53.8	142.9	147.2	56.1	0	0	0	0	119.5
811	S	37.5	Very low	35.5	Very low	98 Å²	98	124.6 Å²	124.6	69%	0.685	77%	0.771	S	S	*	*			cis	-166.8	141.2	33.2	50	0	0	0	0	113.2
812	S	36.1	Very low	35.5	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	77%	0.774	S	S	*	*			trans	42.6	157.1	138.9	67	0	0	0	0	125
813	S	37.1	Very low	35.9	Very low	99 Å²	99	126.3 Å²	126.3	69%	0.692	78%	0.778	S	S	*	*			trans	79.5	89.1	146.6	39.7	0	0	0	0	121
814	S	35.6	Very low	36	Very low	98 Å²	98	126.1 Å²	126.1	69%	0.685	78%	0.783	S	S	*	*				67.3	128	115.8	63.9	0	0	0	0	122.9
815	T	34.9	Very low	36.1	Very low	147 Å²	147	117.8 Å²	117.8	90%	0.902	77%	0.773	S	S	*	*			trans	66.7	144.4	144.9	54.4	0	0	0	0	120.2
816	G	34.5	Very low	36.2	Very low	75 Å²	75	121.1 Å²	121.1	77%	0.773	78%	0.781	S	S	*	*			trans	118.9	67.9	160.9	0	0	0	0	0	116	S818	G816-S818 PolarHBondContact O-N 3.31Å
817	Y	32.9	Very low	36.3	Very low	235 Å²	235	120.2 Å²	120.2	92%	0.922	78%	0.775	S	S	*	*			trans	-82.3	94.7	173.8	-157.1	-77.1	0	0	0	111
818	S	37.1	Very low	36.5	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	77%	0.77	S	S	*	*			trans	162.5	149.5	147.7	-80	0	0	0	0	113.2	G816	G816-S818 PolarHBondContact O-N 3.31Å
819	G	36.4	Very low	36.5	Very low	68 Å²	68	121.1 Å²	121.1	70%	0.701	77%	0.769	S	S	*	*			trans	115.6	66	140.1	0	0	0	0	0	120.2
820	N	34.7	Very low	36.5	Very low	143 Å²	143	121.6 Å²	121.6	77%	0.765	77%	0.773	S	S	*	*			trans	63.2	126.8	136.5	-70.4	-33.4	0	0	0	122.6
821	R	35.9	Very low	36.5	Very low	224 Å²	224	121.2 Å²	121.2	85%	0.845	77%	0.77	S	S	*	*			trans	75.2	105.4	141.3	-62.3	169.4	-170.3	-130.4	1.3	120
822	C	32.2	Very low	36.3	Very low	120 Å²	120	121 Å²	121	81%	0.811	77%	0.765	S	S	*	*				12.6	156.3	115.8	-53.2	0	0	0	0	120.4
823	P	43.3	Very low	35.9	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	77%	0.769	S	S	*	*			cis	-144.2	-173	-25.4	39.8	-20.8	0	0	0	115.4
824	A	34.9	Very low	35.6	Very low	106 Å²	106	125.6 Å²	125.6	88%	0.876	77%	0.773	S	S	*	*			trans	75.3	147.2	151.8	0	0	0	0	0	120.4
825	G	35.6	Very low	35.6	Very low	67 Å²	67	128.7 Å²	128.7	69%	0.691	78%	0.78	S	S	*	*			trans	152.3	62.4	160	0	0	0	0	0	121.3
826	L	37.8	Very low	35.2	Very low	180 Å²	180	128.6 Å²	128.6	94%	0.942	77%	0.774	S	S	*	*			trans	65.6	165	143.5	-62.8	171.3	0	0	0	117.7
827	S	37	Very low	35.1	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	77%	0.772	S	S	*	*			cis	-162.7	162.2	-6.1	139.1	0	0	0	0	111.2
828	A	41.4	Very low	35	Very low	75 Å²	75	127.7 Å²	127.7	62%	0.62	77%	0.766	S	S	*	*			trans	72.4	145.6	156.8	0	0	0	0	0	119.7
829	N	37.8	Very low	35	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	77%	0.765	S	S	*	*			cis	-163	147.6	-10.3	-107.8	-11	0	0	0	111.7
830	S	37.8	Very low	34.9	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	77%	0.765	S	S	*	*			trans	47.1	158	137.8	-48	0	0	0	0	121.2
831	T	35.1	Very low	34.6	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	77%	0.768	S	S	*	*			cis	-164.9	167.7	-1.7	-124.6	0	0	0	0	108.7
832	T	34.8	Very low	34.2	Very low	93 Å²	93	125.5 Å²	125.5	57%	0.571	76%	0.757	S	S	*	*			cis	-177.4	122.5	-34.9	-78.6	0	0	0	0	108
833	Q	28.3	Very low	34	Very low	173 Å²	173	127.6 Å²	127.6	81%	0.808	76%	0.758	S	S	*	*			trans	66.5	129.7	163.3	-68.6	166.2	23.1	0	0	118.1
834	T	29.6	Very low	33.4	Very low	127 Å²	127	128 Å²	128	78%	0.779	76%	0.758	S	S	*	*				78	100.8	70.3	-50.8	0	0	0	0	114.8
835	I	35	Very low	33.4	Very low	163 Å²	163	128.8 Å²	128.8	84%	0.836	75%	0.752	S	S	*	*			trans	-140.9	131.9	158.3	-70.3	-172.6	0	0	0	109.1
836	N	28.3	Very low	33.5	Very low	146 Å²	146	131.3 Å²	131.3	78%	0.781	76%	0.756	S	S	*	*			trans	-79.6	174	169.7	-86	-33.7	0	0	0	111.1
837	I	30.6	Very low	33.2	Very low	144 Å²	144	129.3 Å²	129.3	74%	0.738	75%	0.746	S	S	*	*				155.6	128.8	128.3	-79.7	156.2	0	0	0	113.6
838	N	31	Very low	32.9	Very low	147 Å²	147	131.7 Å²	131.7	79%	0.786	75%	0.751	S	S	*	*			trans	54.1	120.9	154.4	-63.3	0.3	0	0	0	124.7
839	V	37.2	Very low	32.4	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	75%	0.749	S	S	*	*			trans	-68.7	139.5	145.7	170.4	0	0	0	0	110.7
840	P	33.7	Very low	32	Very low	109 Å²	109	131.3 Å²	131.3	71%	0.708	75%	0.751	S	S	*	*				-127.6	153.6	112.1	6.2	16.7	0	0	0	111.2
841	Q	28.7	Very low	31.7	Very low	176 Å²	176	130.4 Å²	130.4	82%	0.822	75%	0.749	S	S	*	*				56.8	137.4	65.6	-60.4	-169.2	16.7	0	0	112.7
842	S	28.2	Very low	31.4	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	74%	0.74	S	S	*	*			cis	-168.5	-178.5	9.1	49.1	0	0	0	0	110.4
843	M	27.9	Very low	31.3	Very low	165 Å²	165	133.9 Å²	133.9	81%	0.813	76%	0.756	S	S	*	*			trans	68.1	153.6	162.9	-54.7	-53	-177.4	0	0	116.6
844	T	31.6	Very low	31.4	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	75%	0.751	S	S	*	*			cis	-155.7	152	-5.2	3.2	0	0	0	0	110.5
845	T	34.3	Very low	31.4	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	76%	0.758	S	S	*	*			trans	-85.9	152.1	159.5	52.6	0	0	0	0	110.8
846	P	37.3	Very low	31.6	Very low	120 Å²	120	129 Å²	129	78%	0.779	75%	0.754	S	S	*	*				-130.7	164	91	8.4	14.9	0	0	0	112.7
847	L	32.2	Very low	31.7	Very low	137 Å²	137	126.4 Å²	126.4	72%	0.717	75%	0.748	S	S	*	*			cis	84.6	100.3	30.2	-142.8	177.6	0	0	0	113.9
848	D	30.6	Very low	31.7	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	75%	0.75	S	S	*	*			trans	177	160.3	136.1	-96.5	-19.2	0	0	0	113
849	T	31.4	Very low	31.6	Very low	95 Å²	95	127.4 Å²	127.4	58%	0.583	75%	0.746	S	S	*	*			cis	-172.2	136.6	-41	-98.2	0	0	0	0	110.4
850	S	29.7	Very low	31.4	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	75%	0.75	S	S	*	*			trans	62.6	173	167.3	82.3	0	0	0	0	116.4
851	A	29.8	Very low	31.2	Very low	84 Å²	84	128.6 Å²	128.6	69%	0.694	75%	0.749	S	S	*	*			cis	-158.5	166.1	-9.6	0	0	0	0	0	106.5
852	S	30.2	Very low	31.5	Very low	84 Å²	84	127.4 Å²	127.4	59%	0.587	75%	0.747	S	S	*	*			cis	166.7	151.9	-14.9	65.4	0	0	0	0	107.1
853	K	31	Very low	31.8	Very low	208 Å²	208	130.3 Å²	130.3	90%	0.904	75%	0.75	S	S	*	*			trans	73.1	150.1	155.7	-58.4	161.4	-177.5	173.1	0	120.7
854	G	31.2	Very low	32.3	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	75%	0.752	S	S	*	*			trans	99.7	100.2	168.3	0	0	0	0	0	113.3
855	L	29.6	Very low	32.5	Very low	176 Å²	176	137 Å²	137	92%	0.921	75%	0.752	S	S	*	*				72.2	146.7	55.7	-65.8	174.9	0	0	0	115
856	P	39.8	Very low	32.8	Very low	116 Å²	116	134.9 Å²	134.9	75%	0.753	74%	0.739	S	S	*	*			trans	-122.9	-173.1	-142.7	44.1	-33.1	0	0	0	115.9
857	S	30	Very low	32.8	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	74%	0.736	S	S	*	*			trans	99.1	161.1	157.2	-157	0	0	0	0	118.1
858	F	30	Very low	33.7	Very low	179 Å²	179	134.5 Å²	134.5	79%	0.785	74%	0.738	S	S	*	*			trans	70.3	127.9	179.3	-55.4	-81.8	0	0	0	116.2
859	N	29.7	Very low	34	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	73%	0.734	S	S	*	*			cis	109.6	139.9	19.9	-174.7	14.7	0	0	0	111.8
860	K	31.7	Very low	34.2	Very low	194 Å²	194	133.1 Å²	133.1	84%	0.843	74%	0.744	S	S	*	*			trans	72.6	141.6	-169.8	-50	169.7	-176.2	174.6	0	113.2
861	G	30.9	Very low	34.7	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	74%	0.74	S	S	*	*			cis	151.3	-168.9	-5.2	0	0	0	0	0	111.8
862	I	34.5	Very low	34.9	Very low	152 Å²	152	137.7 Å²	137.7	78%	0.779	75%	0.746	S	S	*	*			trans	73.6	137.3	160	-73.9	165.7	0	0	0	116.4
863	Q	35	Very low	35.1	Very low	150 Å²	150	138 Å²	138	70%	0.701	75%	0.749	S	S	*	*			cis	-176.2	172.3	-11.6	-170	168.6	46.4	0	0	111.1
864	R	37.5	Very low	35.5	Very low	226 Å²	226	135.8 Å²	135.8	85%	0.853	75%	0.745	S	S	*	*			trans	92.7	138.4	165.8	-61.4	-177.1	-86.7	-154.4	-2.9	114.9
865	R	37	Very low	35.6	Very low	206 Å²	206	137.3 Å²	137.3	78%	0.777	75%	0.746	S	S	*	*			cis	-160.8	161.2	-8.3	-102.6	-159.5	83.8	162.5	6.4	108
866	T	40.6	Very low	35.9	Very low	78 Å²	78	132.4 Å²	132.4	48%	0.479	74%	0.737	S	S	.	*			cis	-180	143.8	-23	30.9	0	0	0	0	111.5
867	D	37.4	Very low	35.7	Very low	134 Å²	134	133 Å²	133	72%	0.717	74%	0.739	S	S	*	*			trans	71.6	167.9	137.7	-46.1	-19.2	0	0	0	120.1
868	P	49.6	Very low	35.9	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	74%	0.743	S	S	*	*				-149	-143.7	-97.6	43.3	-18.3	0	0	0	116.1
869	S	37.2	Very low	36.2	Very low	103 Å²	103	130 Å²	130	72%	0.72	74%	0.74	S	S	*	*			trans	96.5	116.2	170.4	77.8	0	0	0	0	115.9
870	S	35.5	Very low	36.3	Very low	114 Å²	114	130.1 Å²	130.1	80%	0.797	75%	0.746	S	S	*	*				77.7	138.5	85.3	-58.7	0	0	0	0	112.6
871	V	39.5	Very low	36.5	Very low	121 Å²	121	126.2 Å²	126.2	73%	0.733	74%	0.743	S	S	*	*				-155.6	141.8	54	167.1	0	0	0	0	112.5
872	Q	36	Very low	36.7	Very low	175 Å²	175	128.5 Å²	128.5	82%	0.818	75%	0.748	S	S	*	*			trans	12.8	155	138.5	-50.9	176.6	1.8	0	0	120.8
873	S	33.7	Very low	36.8	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	74%	0.743	S	S	*	*			cis	-178.8	-174.5	-6	48.6	0	0	0	0	111.3
874	L	38.9	Very low	36.8	Very low	160 Å²	160	123 Å²	123	84%	0.838	75%	0.745	S	S	*	*			trans	77.2	153.7	163.2	-55.6	176	0	0	0	119.1
875	S	34.4	Very low	36.8	Very low	101 Å²	101	122.5 Å²	122.5	71%	0.706	74%	0.743	S	S	*	*			cis	-176.5	135.3	-45.6	51.1	0	0	0	0	112
876	G	35.8	Very low	37	Very low	72 Å²	72	119.8 Å²	119.8	74%	0.742	74%	0.739	S	S	*	*			trans	80	170.2	160	0	0	0	0	0	117.5
877	T	35.8	Very low	36.9	Very low	129 Å²	129	123.3 Å²	123.3	79%	0.791	76%	0.755	S	S	*	*			cis	-156.4	127.4	-5.7	42.8	0	0	0	0	112.9
878	S	32.8	Very low	37	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	75%	0.751	S	S	*	*			trans	44.5	156.7	137.5	66.1	0	0	0	0	125.6
879	S	35.9	Very low	36.6	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	76%	0.761	S	S	*	*			trans	83.4	130.1	161.5	74.3	0	0	0	0	117.7
880	T	32	Very low	36.7	Very low	136 Å²	136	120.2 Å²	120.2	83%	0.834	76%	0.761	S	S	*	*			cis	91.3	98.1	11.2	81.3	0	0	0	0	119.3
881	S	36	Very low	36.9	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	76%	0.76	S	S	*	*			trans	-171.8	125.2	152.6	26.2	0	0	0	0	107.8
882	S	35	Very low	36.7	Very low	116 Å²	116	118.9 Å²	118.9	81%	0.811	76%	0.762	S	S	*	*				75.3	136.1	67.1	86.7	0	0	0	0	112.9
883	A	37	Very low	36.9	Very low	80 Å²	80	115 Å²	115	66%	0.661	76%	0.761	S	S	*	*			cis	-165.7	178.8	7.4	0	0	0	0	0	112.1
884	S	36.2	Very low	37.1	Very low	107 Å²	107	116 Å²	116	75%	0.748	77%	0.774	S	S	*	*			trans	67.2	153.5	148.6	54.5	0	0	0	0	119.4
885	R	36.6	Very low	37.1	Very low	214 Å²	214	111.9 Å²	111.9	81%	0.808	77%	0.771	S	S	*	*			cis	-159.3	128.5	-6.6	-114.8	173.7	179.7	166.7	1.2	108
886	Q	42	Very low	37.2	Very low	149 Å²	149	113.2 Å²	113.2	70%	0.696	78%	0.78	S	S	*	*				83.4	136.5	96.3	-86.9	-174.6	-31.1	0	0	118
887	N	36.9	Very low	37.3	Very low	153 Å²	153	113.2 Å²	113.2	82%	0.818	78%	0.78	S	S	*	*			trans	74.7	139.1	159.5	-50.9	-16.7	0	0	0	118.4
888	G	40.3	Very low	37.4	Very low	61 Å²	61	113.1 Å²	113.1	63%	0.629	79%	0.785	S	S	*	*			cis	157.3	151.5	-12.8	0	0	0	0	0	115.2
889	T	42.2	Very low	37.6	Very low	157 Å²	157	112.1 Å²	112.1	96%	0.963	79%	0.79	S	S	*	*			trans	66.7	152.8	171.6	70.1	0	0	0	0	117
890	G	38.2	Very low	37.5	Very low	69 Å²	69	112.7 Å²	112.7	71%	0.711	80%	0.795	S	S	*	*			cis	169.8	162.3	-7.9	0	0	0	0	0	113.3
891	A	39	Very low	37.5	Very low	94 Å²	94	110.6 Å²	110.6	78%	0.777	79%	0.791	S	S	*	*			trans	62.4	133	-179.7	0	0	0	0	0	116.7
892	S	36.6	Very low	37.6	Very low	113 Å²	113	111.3 Å²	111.3	79%	0.79	79%	0.79	S	S	*	*			cis	89.7	111.6	20	84.8	0	0	0	0	116.8
893	A	39.3	Very low	37.5	Very low	95 Å²	95	111.8 Å²	111.8	79%	0.785	79%	0.788	S	S	*	*				165.2	141.3	106.3	0	0	0	0	0	113.8
894	A	39.3	Very low	37.7	Very low	110 Å²	110	114 Å²	114	91%	0.909	79%	0.794	S	S	*	*			trans	34.3	150.3	145.2	0	0	0	0	0	123.3
895	G	37.5	Very low	37.5	Very low	75 Å²	75	116.4 Å²	116.4	77%	0.773	79%	0.793	S	S	*	*			trans	158.5	43.9	153.7	0	0	0	0	0	121
896	S	37.2	Very low	37.6	Very low	129 Å²	129	113.4 Å²	113.4	90%	0.902	80%	0.798	S	S	*	*			trans	-24.2	138.7	163.3	52.5	0	0	0	0	118.7
897	G	38.6	Very low	37.1	Very low	72 Å²	72	112 Å²	112	74%	0.742	80%	0.795	S	S	*	*			trans	179.2	114.2	162.8	0	0	0	0	0	117.3
898	S	37.1	Very low	37	Very low	127 Å²	127	114 Å²	114	89%	0.888	80%	0.797	S	S	*	*			trans	-1.8	129.4	156.1	52.3	0	0	0	0	120.1
899	G	36.2	Very low	36.7	Very low	83 Å²	83	119.1 Å²	119.1	86%	0.856	80%	0.801	S	S	*	*			trans	-89.7	-168.3	174.5	0	0	0	0	0	116
900	S	34.2	Very low	36.3	Very low	116 Å²	116	120.4 Å²	120.4	81%	0.811	79%	0.794	S	S	*	*			trans	-154.5	151.1	164.7	-177.1	0	0	0	0	109.4
901	A	32.8	Very low	35.9	Very low	91 Å²	91	123 Å²	123	75%	0.752	79%	0.792	S	S	*	*			trans	-81.6	150.5	166.7	0	0	0	0	0	111
902	V	38.1	Very low	36	Very low	126 Å²	126	124.1 Å²	124.1	76%	0.764	79%	0.789	S	S	*	*			trans	-145	122.7	160.8	-179.6	0	0	0	0	108.7
903	T	32.8	Very low	35.8	Very low	126 Å²	126	124.9 Å²	124.9	77%	0.773	78%	0.784	S	S	*	*			trans	-99.4	136.5	168.5	-62.7	0	0	0	0	109.1
904	T	39.7	Very low	35.6	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	78%	0.783	S	S	*	*			trans	-144.4	127.2	165.7	-22.3	0	0	0	0	112.3
905	H	33.6	Very low	35.3	Very low	157 Å²	157	128 Å²	128	73%	0.727	77%	0.772	S	S	*	*			trans	-80	156.6	168.4	-78	-96	0	0	0	111.6
906	V	37.4	Very low	35.3	Very low	150 Å²	150	129.5 Å²	129.5	91%	0.909	77%	0.771	S	S	*	*			trans	-131.5	133.3	147.4	-178.6	0	0	0	0	108.2
907	L	32.4	Very low	35.3	Very low	121 Å²	121	129.1 Å²	129.1	63%	0.634	76%	0.759	S	S	*	*			trans	-154.6	118.8	-175.4	-165	141.3	0	0	0	111.8	K909	L907-K909 HydrophobicContact CD2-CB 4.11Å; L907-K909 HydrophobicContact CD2-CD 4.18Å
908	K	34.3	Very low	35.3	Very low	195 Å²	195	131.2 Å²	131.2	85%	0.848	75%	0.753	S	S	*	*			trans	-149.8	124	167.3	-82.7	-172.3	173.5	-175.8	0	106.9
909	K	33.7	Very low	35.3	Very low	167 Å²	167	131.3 Å²	131.3	73%	0.726	74%	0.744	S	S	*	*			cis	87.9	85.9	8.9	-150.6	-175.5	-173.9	-176.8	0	117	L907	L907-K909 HydrophobicContact CD2-CB 4.11Å; L907-K909 HydrophobicContact CD2-CD 4.18Å
910	F	33.6	Very low	35.3	Very low	185 Å²	185	134.1 Å²	134.1	81%	0.811	74%	0.739	S	S	*	*			trans	-145	126	144	-84.4	-87.3	0	0	0	105.1
911	N	31.3	Very low	35.4	Very low	124 Å²	124	132.8 Å²	132.8	66%	0.663	73%	0.729	S	S	*	*			cis	95.4	142.4	15.3	-162.3	40.9	0	0	0	116
912	T	39.7	Very low	35.5	Very low	116 Å²	116	135.3 Å²	135.3	71%	0.712	73%	0.73	S	S	*	*			trans	86.1	144.5	174.2	70.1	0	0	0	0	118.3
913	N	32.3	Very low	35.3	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	73%	0.725	S	S	*	*			cis	-164.7	-173.5	-34.9	-152.4	-3	0	0	0	110
914	N	35.7	Very low	35.3	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	72%	0.723	S	S	*	*			trans	81.8	105.1	169.8	-50	-22.5	0	0	0	113.3
915	N	32.7	Very low	35	Very low	127 Å²	127	140.5 Å²	140.5	68%	0.679	73%	0.729	S	S	*	*			cis	74.2	94.8	22.6	-172.9	34.3	0	0	0	116.6
916	S	37.8	Very low	35.1	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	73%	0.733	S	S	*	*			trans	168.5	146.3	141.1	-82.4	0	0	0	0	111.5
917	N	37.5	Very low	34.9	Very low	122 Å²	122	139.9 Å²	139.9	65%	0.652	73%	0.73	S	S	*	*			cis	-167.7	176.4	-26.7	-141.1	-25.6	0	0	0	110.8
918	N	38	Very low	34.8	Very low	115 Å²	115	138.5 Å²	138.5	62%	0.615	73%	0.729	S	S	*	*			trans	77.2	112.7	155	-62.9	-18.4	0	0	0	121.7
919	N	37.4	Very low	34.8	Very low	130 Å²	130	136.3 Å²	136.3	70%	0.695	73%	0.726	S	S	*	*				70.6	140.3	126.4	-53.4	-12.6	0	0	0	118.8
920	N	37.3	Very low	34.8	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	72%	0.722	S	S	*	*			cis	-162.5	160.4	0.2	-102.4	-15.9	0	0	0	107.1
921	S	34.8	Very low	34.7	Very low	87 Å²	87	132 Å²	132	61%	0.608	72%	0.719	S	S	*	*			cis	-172.2	167.3	-6.7	54.3	0	0	0	0	110
922	L	34.9	Very low	34.9	Very low	145 Å²	145	132.6 Å²	132.6	76%	0.759	73%	0.727	S	S	*	*			trans	70.5	101.8	165.6	-56	167.9	0	0	0	116.1
923	T	34.5	Very low	34.7	Very low	107 Å²	107	134.5 Å²	134.5	66%	0.656	73%	0.728	S	S	*	*				67.6	134.2	65.3	74.4	0	0	0	0	113.9
924	N	32.7	Very low	34.7	Very low	140 Å²	140	139 Å²	139	75%	0.749	74%	0.735	S	S	*	*			cis	-161.7	155.5	42.9	-101	-61	0	0	0	114.1
925	R	33.8	Very low	34.7	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	74%	0.74	S	S	*	*			trans	66.6	137.5	162.9	-69.5	174.4	171.9	163.6	-3.8	117.7
926	S	36.1	Very low	34.8	Very low	115 Å²	115	141 Å²	141	80%	0.804	75%	0.746	S	S	*	*			cis	-154.1	99	-7.6	51.9	0	0	0	0	112.9
927	E	33.3	Very low	34.7	Very low	180 Å²	180	143.9 Å²	143.9	84%	0.841	75%	0.747	S	S	*	*			trans	-88	170.9	159.1	-85.4	-170.8	-168.1	0	0	110.2
928	C	29.2	Very low	34.3	Very low	92 Å²	92	141.5 Å²	141.5	62%	0.622	75%	0.751	S	S	*	*			cis	-161.6	-165.7	-0.7	-124.8	0	0	0	0	110.1
929	L	34.7	Very low	34.2	Very low	148 Å²	148	144.2 Å²	144.2	78%	0.775	76%	0.762	S	S	*	*			trans	84.2	138.6	157.7	-47.4	-173.7	0	0	0	116.7
930	D	33.4	Very low	34.2	Very low	122 Å²	122	143 Å²	143	65%	0.652	76%	0.755	S	S	*	*			cis	-160.1	169.5	-1.6	-129.9	-29.4	0	0	0	115.3
931	N	32.6	Very low	33.9	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	76%	0.761	S	S	*	*			trans	70.2	143.5	170.4	-61.8	-58	0	0	0	117.4
932	V	34	Very low	34.1	Very low	135 Å²	135	145 Å²	145	82%	0.818	75%	0.753	S	S	*	*			cis	-127.9	153.2	12.2	176.6	0	0	0	0	111.3
933	Q	35.2	Very low	34.1	Very low	157 Å²	157	144 Å²	144	73%	0.734	75%	0.748	S	S	*	*			trans	-110.6	162.4	177.6	-66.9	-177.6	-24.1	0	0	114.3
934	R	33.1	Very low	34	Very low	222 Å²	222	143.4 Å²	143.4	84%	0.838	75%	0.754	S	S	*	*			trans	79.4	142	171.8	-49.2	171.7	-159.7	161.5	10.1	113.2
935	T	35.3	Very low	34	Very low	141 Å²	141	142.1 Å²	142.1	87%	0.865	74%	0.742	S	S	*	*			cis	-116.2	173.4	24.6	45.9	0	0	0	0	115.8
936	Q	34.8	Very low	33.9	Very low	173 Å²	173	137.2 Å²	137.2	81%	0.808	72%	0.724	S	S	*	*			trans	-98.7	170.9	-179.9	-69.4	177.6	-68.7	0	0	113.7
937	H	35.2	Very low	33.8	Very low	167 Å²	167	133.9 Å²	133.9	77%	0.773	70%	0.695	S	S	*	*			trans	73	122	164.8	-75.7	-79	0	0	0	119.9
938	G	29.3	Very low	33.9	Very low	71 Å²	71	130.9 Å²	130.9	73%	0.732	69%	0.69	S	S	*	*			trans	103.8	57.1	130.1	0	0	0	0	0	119.2
939	M	35.6	Very low	34.2	Very low	172 Å²	172	131.7 Å²	131.7	85%	0.847	69%	0.688	S	S	*	*			trans	-145.9	114.6	158.4	-67.5	-168.5	-168.9	0	0	112.3	F941	M939-F941 PolarHBondContact O-N 3.04Å
940	D	37.4	Very low	33.9	Very low	104 Å²	104	128.2 Å²	128.2	56%	0.556	68%	0.675	S	S	*	*			trans	-69.7	109.6	169	-89.4	-80	0	0	0	111.1	S87 T942	S87-D940 WeakPolarHBondContact CB-OD2 3.04Å; S87-D940 PolarHBondContact OG-OD2 2.91Å; D940-T942 PolarHBondContact O-N 3.07Å
941	F	32.4	Very low	33.8	Very low	202 Å²	202	127.3 Å²	127.3	89%	0.886	67%	0.67	S	S	*	*			trans	-73.7	89.8	-180	-95.9	-96.8	0	0	0	112.1	M939	M939-F941 PolarHBondContact O-N 3.04Å
942	T	38.9	Very low	33.6	Very low	70 Å²	70	126.4 Å²	126.4	43%	0.429	67%	0.665	S	S	.	*			trans	-113.6	131.4	169	-46.6	0	0	0	0	109.7	K281 D940	K281-T942 PolarHBondContact NZ-OG1 3.08Å; K281-T942 VanDerWaalsContact NZ-OG1 3.13Å; D940-T942 PolarHBondContact O-N 3.07Å
943	N	34.3	Very low	33.6	Very low	124 Å²	124	126.4 Å²	126.4	66%	0.663	66%	0.664	S	S	*	*	S	Bend	trans	59.6	75.1	171.8	-65.9	-29.3	0	0	0	118.7
944	A	33.6	Very low	33.4	Very low	94 Å²	94	127.5 Å²	127.5	78%	0.777	67%	0.667	S	S	*	*			trans	16.2	120.9	143.4	0	0	0	0	0	119.8	R946	A944-R946 PolarHBondContact O-N 3.29Å
945	F	30.8	Very low	33.4	Very low	114 Å²	114	125 Å²	125	50%	0.5	66%	0.664	S	S	.	*			trans	-52.8	129.5	164.8	-100.9	-149	0	0	0	112.5	V56 K57 Q947	V56-F945 HydrophobicContact CB-CE1 4.13Å; K57-F945 HydrophobicContact CB-CD2 4.39Å; K57-F945 HydrophobicContact CB-CE1 4.18Å; K57-F945 HydrophobicContact CB-CE2 3.61Å; K57-F945 HydrophobicContact CB-CZ 3.49Å; K57-F945 VanDerWaalsContact CB-CZ 3.49Å; K57-F945 HydrophobicContact CD-CD2 3.88Å; K57-F945 HydrophobicContact CD-CE2 3.61Å; K57-F945 HydrophobicContact CD-CZ 4.38Å; K57-F945 HydrophobicContact CG-CD2 3.78Å; K57-F945 HydrophobicContact CG-CE1 4.37Å; K57-F945 HydrophobicContact CG-CE2 3.48Å; K57-F945 VanDerWaalsContact CG-CE2 3.48Å; K57-F945 HydrophobicContact CG-CG 4.34Å; K57-F945 HydrophobicContact CG-CZ 3.81Å; F945-Q947 HydrophobicContact CB-CB 4.27Å; F945-Q947 HydrophobicContact CB-CG 3.86Å; F945-Q947 VanDerWaalsContact CD1-CD 3.46Å; F945-Q947 HydrophobicContact CD1-CG 3.81Å; F945-Q947 HydrophobicContact CG-CG 4.27Å; F945-Q947 PolarHBondContact O-N 2.65Å
946	R	32.3	Very low	33.1	Very low	138 Å²	138	122.4 Å²	122.4	52%	0.521	65%	0.652	S	S	.	*			trans	-95.8	84.9	-179.4	-160.7	174.4	-139.7	-95.4	-8.9	112.6	K47 S351 A944	K47-R946 VanDerWaalsContact CE-O 3.29Å; K47-R946 WeakPolarHBondContact CE-O 3.45Å; S351-R946 PolarHBondContact OG-NH2 2.64Å; A944-R946 PolarHBondContact O-N 3.29Å
947	Q	35	Very low	32.9	Very low	44 Å²	44	120.9 Å²	120.9	21%	0.206	65%	0.65	C	S	.	*			trans	-123.2	32	-140.1	-119.8	50.3	41.5	0	0	117.3	V55 V56 F945 N949	V55-Q947 HydrophobicContact CB-CB 4.42Å; V55-Q947 HydrophobicContact CB-CG 3.85Å; V55-Q947 HydrophobicContact CG1-CG 4.48Å; V55-Q947 WeakPolarHBondContact CG2-O 3.3Å; V55-Q947 WeakPolarHBondContact O-CG 3.42Å; V55-Q947 PolarHBondContact O-NE2 2.95Å; V55-Q947 VanDerWaalsContact O-NE2 3.08Å; V56-Q947 PolarHBondContact O-NE2 3.18Å; F945-Q947 HydrophobicContact CB-CB 4.27Å; F945-Q947 HydrophobicContact CB-CG 3.86Å; F945-Q947 VanDerWaalsContact CD1-CD 3.46Å; F945-Q947 HydrophobicContact CD1-CG 3.81Å; F945-Q947 HydrophobicContact CG-CG 4.27Å; F945-Q947 PolarHBondContact O-N 2.65Å; Q947-N949 PolarHBondContact O-N 3.19Å
948	T	35.2	Very low	32.8	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.724	65%	0.649	S	S	*	*			trans	-74.9	122.1	-178.4	37.1	0	0	0	0	114.7	V55	V55-T948 WeakPolarHBondContact CG2-O 2.96Å
949	N	35	Very low	32.8	Very low	109 Å²	109	125.6 Å²	125.6	58%	0.583	65%	0.654	S	S	*	*			trans	-53.1	150.7	-165.6	-69.7	-36.3	0	0	0	117.7	G54 Q947	G54-N949 WeakPolarHBondContact CA-OD1 3.3Å; Q947-N949 PolarHBondContact O-N 3.19Å
950	C	29.1	Very low	32.9	Very low	75 Å²	75	122.1 Å²	122.1	51%	0.507	65%	0.645	S	S	.	*			trans	-140.2	50.6	168.7	-81.3	0	0	0	0	111.8	V49 F70	V49-C950 HydrophobicContact CG2-CB 4.04Å; F70-C950 HydrophobicContact CD1-CB 4.4Å; F70-C950 HydrophobicContact CE1-CB 4.17Å
951	N	31	Very low	32.4	Very low	102 Å²	102	125.2 Å²	125.2	55%	0.545	66%	0.656	S	S	.	*			trans	-163.3	156.3	168.3	-93.5	-28.9	0	0	0	107.8	V49	V49-N951 HydrophobicContact CG1-CB 4.24Å; V49-N951 WeakPolarHBondContact CG1-ND2 3.29Å
952	L	28.5	Very low	32.5	Very low	123 Å²	123	121.2 Å²	121.2	64%	0.644	64%	0.643	S	S	*	*			cis	-161.3	109.1	-28.4	-178	78	0	0	0	107.9
953	V	33.8	Very low	32	Very low	134 Å²	134	124.7 Å²	124.7	81%	0.812	66%	0.659	S	S	*	*			trans	-121	110.6	171.1	-178.6	0	0	0	0	110
954	K	30.9	Very low	31.8	Very low	180 Å²	180	126.1 Å²	126.1	78%	0.783	66%	0.661	S	S	*	*			trans	-98.4	94.9	172.3	-69	174	-179.7	168.1	0	109.6
955	E	32.7	Very low	31.6	Very low	169 Å²	169	126.5 Å²	126.5	79%	0.79	66%	0.659	S	S	*	*			trans	-134.4	104	155.2	-70.9	-171	118.2	0	0	107.3
956	S	28.5	Very low	31.5	Very low	88 Å²	88	130.5 Å²	130.5	62%	0.615	68%	0.676	S	S	*	*				45.9	90.4	83.8	71.6	0	0	0	0	113.4
957	N	32.5	Very low	31.4	Very low	140 Å²	140	130.1 Å²	130.1	75%	0.749	68%	0.684	S	S	*	*				-176	141.1	104.8	-90.9	-48.9	0	0	0	113
958	N	32.9	Very low	31.2	Very low	142 Å²	142	136.3 Å²	136.3	76%	0.759	71%	0.713	S	S	*	*			trans	36.9	82.2	151.6	-58.7	-25	0	0	0	118.4	P960	N958-P960 VanDerWaalsContact O-CD 3.26Å; N958-P960 WeakPolarHBondContact O-CD 3.08Å
959	K	28.8	Very low	30.9	Very low	195 Å²	195	136.6 Å²	136.6	85%	0.848	71%	0.714	S	S	*	*			trans	-59.5	118.4	145.8	176.5	-170	177	-170.2	0	108	E961	K959-E961 PolarHBondContact O-N 3.17Å
960	P	37.8	Very low	30.7	Very low	100 Å²	100	139.5 Å²	139.5	65%	0.649	73%	0.727	S	S	*	*			trans	-74.4	122.9	178.3	-13.9	29.8	0	0	0	110.7	N958 I962	N958-P960 VanDerWaalsContact O-CD 3.26Å; N958-P960 WeakPolarHBondContact O-CD 3.08Å; P960-I962 VanDerWaalsContact C-N 3.28Å; P960-I962 HydrophobicContact CB-CG1 4.43Å; P960-I962 PolarHBondContact O-N 3.3Å; P960-I962 VanDerWaalsContact O-N 3.09Å
961	E	27.1	Very low	31	Very low	169 Å²	169	142 Å²	142	79%	0.79	74%	0.74	S	S	*	*			trans	-77.5	81.9	160.3	-76.2	-161.3	103.8	0	0	110	K959	K959-E961 PolarHBondContact O-N 3.17Å
962	I	34.4	Very low	31.2	Very low	118 Å²	118	143.6 Å²	143.6	61%	0.605	75%	0.753	S	S	*	*			trans	-138	103.4	168	-56.6	-179.1	0	0	0	105.9	P960 Q964	P960-I962 VanDerWaalsContact C-N 3.28Å; P960-I962 HydrophobicContact CB-CG1 4.43Å; P960-I962 PolarHBondContact O-N 3.3Å; P960-I962 VanDerWaalsContact O-N 3.09Å; I962-Q964 HydrophobicContact CG2-CB 3.79Å; I962-Q964 HydrophobicContact CG2-CG 3.88Å; I962-Q964 VanDerWaalsContact CG2-N 3.34Å
963	N	27.5	Very low	31.5	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	76%	0.763	S	S	*	*			cis	59.6	35.4	10.9	-83.2	-1	0	0	0	115.4
964	Q	29.5	Very low	31.6	Very low	153 Å²	153	138.4 Å²	138.4	72%	0.715	76%	0.757	S	S	*	*			trans	-121.6	105.7	144	-75.6	172.1	20.8	0	0	106.4	I962	I962-Q964 HydrophobicContact CG2-CB 3.79Å; I962-Q964 HydrophobicContact CG2-CG 3.88Å; I962-Q964 VanDerWaalsContact CG2-N 3.34Å
965	S	29.6	Very low	32	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	76%	0.762	S	S	*	*				70.4	82.6	64.2	81.4	0	0	0	0	112.4
966	F	28.6	Very low	32.4	Very low	198 Å²	198	134.9 Å²	134.9	87%	0.868	76%	0.756	S	S	*	*			trans	-116.4	135	153.6	-111	-89.3	0	0	0	109.4
967	N	30.1	Very low	33	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	76%	0.764	S	S	*	*	S	Bend	trans	88.2	87.5	174.4	-51.3	-25.7	0	0	0	118
968	H	31.2	Very low	33.2	Very low	174 Å²	174	137 Å²	137	81%	0.806	76%	0.76	S	S	*	*			trans	62.4	144.4	145.5	-58	-77.3	0	0	0	118.3
969	T	30.1	Very low	33.6	Very low	123 Å²	123	138.4 Å²	138.4	76%	0.755	76%	0.762	S	S	*	*				-162.1	166.3	53.2	-47.9	0	0	0	0	111.6
970	M	30.7	Very low	34	Very low	170 Å²	170	144 Å²	144	84%	0.837	78%	0.778	S	S	*	*			trans	89.5	84.4	163.7	-59.5	-157.3	172	0	0	120
971	T	34	Very low	33.8	Very low	128 Å²	128	146.2 Å²	146.2	79%	0.785	78%	0.784	S	S	*	*				-43.4	149.5	113.8	12.7	0	0	0	0	111.2
972	T	36.6	Very low	34.2	Very low	135 Å²	135	145 Å²	145	83%	0.828	78%	0.784	S	S	*	*			cis	-144.8	164.2	38.2	49	0	0	0	0	113.1
973	G	33.7	Very low	34.2	Very low	82 Å²	82	146.5 Å²	146.5	85%	0.845	79%	0.794	S	S	*	*			trans	-120.5	145	146.8	0	0	0	0	0	109
974	G	36.2	Very low	34.6	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	80%	0.796	S	S	*	*			trans	144.1	107.5	167.3	0	0	0	0	0	117.1
975	I	39.2	Very low	34.9	Very low	173 Å²	173	146.3 Å²	146.3	89%	0.887	80%	0.801	S	S	*	*			trans	78.2	145.4	143.2	-62.8	173.8	0	0	0	116.5
976	P	41.3	Very low	35.2	Very low	101 Å²	101	149.2 Å²	149.2	66%	0.656	81%	0.806	S	S	*	*			trans	-116.6	-158.6	-155.4	44.3	-31.8	0	0	0	113.7
977	N	40.1	Very low	35.7	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	80%	0.802	S	S	*	*			trans	88	153.2	175.7	-62.2	-42.8	0	0	0	116.3
978	N	37.3	Very low	36.2	Very low	124 Å²	124	146.9 Å²	146.9	66%	0.663	81%	0.81	S	S	*	*			cis	-169.7	143.8	-33	-167.1	-5.2	0	0	0	106.7
979	Q	40.7	Very low	36.6	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.804	81%	0.81	S	S	*	*			trans	66.2	155.3	179.5	-45	171.2	19.3	0	0	112.9
980	R	38.9	Very low	37.2	Very low	313 Å²	313	146.6 Å²	146.6	100%	1.181	82%	0.815	S	S	*	*			cis	-143	0	8.4	-173	-178.3	-173.6	-179.2	3.9	110.5

Retrieved 980 of 980 residues in 598.2 ms (Link to these results)

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